#DEFINITION	Reference Metabolome for Clematis chinensis
#IDENTTFIER	RefMeta-Clematis chinensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Clematis chinensis
#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 Clematis chinensis was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	18.2
73.02918	1.0
81.03406	7.4
81.07029	0.5
85.02888	17.0
85.06530	6.3
90.38480	0.4
91.03957	0.8
91.05463	1.0
94.04155	0.9
95.04946	2.0
97.02874	12.4
99.04453	2.2
99.04993	0.4
103.03927	14.4
103.05444	0.8
103.07587	0.6
105.07014	0.5
108.04500	0.7
109.02856	8.6
109.06464	0.4
111.04400	0.5
113.02335	0.7
113.05981	6.1
115.03934	0.6
115.05408	2.5
117.05463	0.7
117.07000	0.7
122.03641	1.6
123.08099	0.5
127.03890	13.0
127.07529	17.5
128.06279	0.6
129.06982	2.1
131.04903	1.0
131.07011	8.5
137.05952	36.6
143.04912	3.7
144.05646	0.7
145.04933	9.2
145.08569	100.0
146.08899	0.6
147.08047	0.6
149.04436	2.4
149.06017	0.5
151.03824	1.0
151.07541	1.0
153.05428	1.1
155.07018	1.6
157.06435	2.4
159.07840	0.4
160.05176	7.0
161.05919	1.2
163.05997	1.0
163.07448	1.1
172.05292	0.5
173.08081	2.7
175.07513	39.2
177.05421	0.6
179.05473	1.1
179.06998	0.8
187.06088	0.7
187.07510	15.5
189.09050	4.4
191.07314	0.5
191.09100	11.3
201.09042	0.7
203.08531	1.0
205.06709	0.7
205.08563	8.8
211.07581	0.9
217.08600	2.4
219.08029	1.2
219.10138	1.1
220.08748	0.5
229.07092	1.5
231.08011	0.9
233.09630	0.5
235.09587	16.0
239.07031	0.8
247.07674	0.8
248.08334	1.5
257.06516	2.8
257.10068	2.1
263.07709	0.6
263.10614	1.5
265.08597	0.6
270.08847	1.5
271.09756	2.9
275.07523	2.8
275.11166	1.6
276.07880	0.8
279.10126	1.4
283.09647	0.8
291.10162	3.2
293.08536	1.9
296.10501	0.6
299.11203	3.8
308.10327	0.6
311.12772	2.0
317.12231	4.8
323.12695	5.8
325.14270	1.6
335.13345	7.2
341.13791	13.6
357.13229	1.1
359.12830	0.6
584.38409	0.5
620.27563	0.5
657.24298	0.5
1002.36401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59698	1.6
70.60034	2.4
71.01338	1.8
73.02900	2.6
79.05469	7.0
81.03395	9.6
81.07037	14.4
83.08611	5.7
85.02892	79.9
85.53179	1.7
87.04430	1.8
88.80790	1.5
91.03978	2.0
91.05470	7.5
93.07034	7.8
95.04970	2.3
95.08598	16.2
95.29322	1.8
97.02884	27.9
97.10162	2.2
99.04451	4.0
103.03989	2.0
105.07023	11.5
107.08583	18.1
109.02886	8.2
109.06495	1.8
109.10136	16.6
111.08035	2.3
113.52111	1.6
117.06974	3.4
119.04958	1.8
119.08508	8.4
121.06507	4.2
121.10118	10.4
123.11705	10.0
127.03894	23.3
129.06985	2.7
131.08542	3.7
133.10126	2.4
135.08070	4.4
135.11664	2.4
137.09569	1.9
143.08568	5.5
145.04929	28.0
145.10117	6.8
147.07956	2.5
147.11670	4.3
149.09573	2.4
149.13246	3.9
155.08553	2.5
157.10091	6.8
159.08063	8.2
159.11681	6.2
161.09616	4.9
161.13257	3.9
163.06030	7.7
163.14786	3.4
167.07051	3.0
169.10121	3.1
171.11644	3.0
173.09598	13.7
173.13229	2.7
175.11156	9.5
177.16389	3.9
183.11674	3.1
185.09604	2.8
185.13199	3.6
187.11185	5.9
187.14807	2.3
189.12735	2.4
194.72343	1.9
195.11813	2.1
197.13304	2.7
199.11116	3.6
199.14775	1.8
201.12714	3.8
209.13223	2.8
213.12759	3.1
213.16345	2.6
215.14299	9.4
223.14742	2.7
227.14331	3.0
229.15823	8.4
233.15417	2.4
241.15866	3.9
247.16910	3.7
249.16301	2.1
259.17072	4.7
279.21078	2.5
281.18939	5.8
283.17355	1.9
283.20554	4.5
297.18634	3.5
297.22055	5.2
299.20038	13.6
301.21631	10.6
313.21500	2.5
315.23337	2.1
325.11227	2.0
353.24716	2.5
367.26392	2.6
405.31442	9.8
423.32504	34.5
461.25128	2.4
465.33484	5.9
483.34625	100.0
485.46368	1.8
501.35538	3.0
585.37299	5.2
613.38452	2.0
645.39862	31.4
747.42816	25.0
807.45007	21.4
895.62219	2.1
978.45056	2.4
1004.37067	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	1004.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03484	2.8
70.03816	2.1
73.02906	2.0
74.96388	1.2
77.65647	1.5
79.05474	4.1
81.03403	3.7
81.07024	8.9
85.02895	13.7
87.04420	3.4
91.05474	5.8
93.07040	7.2
95.04930	1.8
95.08591	8.6
97.02860	5.1
98.22670	1.5
99.04426	1.4
105.07001	6.8
107.08569	10.0
109.02864	2.3
109.10133	9.0
115.46150	1.4
115.60781	1.3
119.04965	1.4
119.08560	4.9
121.02868	1.6
121.06492	4.3
121.10123	7.1
123.08083	1.6
123.11690	5.4
127.03893	4.4
131.08539	4.3
133.10167	1.2
135.08034	3.4
135.11693	1.7
137.06033	2.0
141.71991	1.3
143.08530	1.3
145.04959	2.7
145.10100	4.8
147.08015	1.9
147.11641	3.9
149.09686	1.4
157.06435	2.0
157.10127	2.5
159.08008	3.8
159.11707	2.9
161.09586	2.0
163.14818	1.5
165.08943	1.6
171.11662	2.1
173.09593	7.0
175.11128	4.1
183.11629	1.6
187.11137	2.5
189.12738	1.9
199.11034	2.1
201.12711	3.1
209.13278	1.8
213.12608	1.7
213.16281	1.8
215.14267	3.7
229.15816	4.4
241.15900	2.5
247.16872	1.7
249.06502	2.0
249.98508	1.5
250.07289	8.0
251.07620	3.2
253.19342	1.8
267.07401	1.7
279.17294	1.7
281.18903	3.2
283.20425	1.7
297.21964	3.6
299.19937	4.4
302.31186	1.4
309.08640	61.4
310.08951	33.0
366.78461	1.5
405.31577	2.3
423.32510	3.3
461.25214	3.5
463.26569	2.5
515.29584	2.3
585.37781	17.2
645.39862	100.0
646.39899	2.3
663.41223	7.6
767.84088	1.7
1004.34302	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.9
58.96164	6.5
69.76171	3.5
79.01849	5.2
82.99863	3.2
83.01514	1.9
100.02491	2.7
100.97202	2.5
100.97967	1.6
101.00867	31.1
101.01537	1.6
101.02530	5.6
102.00971	1.2
118.98215	1.2
119.01906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
56.96553	2.6
58.96151	3.9
59.04990	0.8
60.04523	2.0
60.95131	0.8
71.40405	1.0
74.73367	0.8
82.99809	1.1
84.04482	1.0
85.02927	1.0
100.02511	1.1
100.97185	1.7
101.00228	1.7
101.00871	25.6
101.02516	1.5
101.07927	1.0
102.05498	1.3
119.01907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	9.9
50.51664	0.6
51.02378	16.5
52.02713	0.6
52.03166	0.6
53.03949	0.5
53.31372	0.3
55.01864	1.8
55.05507	2.8
55.42040	0.3
56.04771	0.5
56.05031	6.3
56.96564	1.5
57.03425	1.5
58.96164	0.4
58.99836	1.3
59.04995	2.0
59.52192	2.8
60.02245	0.2
60.04527	1.2
65.00290	0.6
65.01177	1.4
68.02641	13.5
68.52715	1.2
71.01337	0.8
71.02972	0.4
73.02920	0.8
74.02432	1.3
74.06074	0.7
74.09685	0.4
77.00876	1.5
79.01846	100.0
80.02180	3.5
82.01432	10.0
82.99819	0.8
83.01488	0.7
83.04964	1.1
84.01182	0.5
84.04496	5.3
84.52946	4.6
85.02894	5.7
85.51897	0.4
87.01907	0.8
88.32188	0.2
89.52180	0.3
92.01297	0.3
93.53468	1.1
94.25619	0.2
95.01909	0.5
96.02445	0.3
97.00127	1.0
98.52677	5.9
99.02750	1.0
100.02473	58.4
101.00874	8.0
101.02527	7.6
101.06018	0.8
101.07950	0.6
101.10741	0.6
102.02215	2.0
102.02839	0.3
102.05516	1.3
102.09200	0.4
106.56686	0.2
107.53185	0.7
110.03417	0.3
115.01165	3.8
116.01211	0.3
118.03508	31.2
119.01904	53.7
119.03603	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	1016.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	14.9
75.04476	2.9
76.78094	0.4
79.05467	0.5
81.03401	7.2
82.63889	0.4
85.02888	18.7
85.06521	6.6
90.47138	0.4
91.05457	0.7
94.04167	1.1
95.04961	1.8
97.02875	6.9
97.53370	0.4
98.22701	0.9
99.04433	2.4
103.03920	4.3
103.05453	0.7
108.04457	0.9
109.02863	7.6
109.06516	0.5
113.05983	6.0
115.05441	1.8
117.05472	71.6
120.64375	0.4
122.03616	1.4
124.06099	0.4
127.03899	11.6
127.07530	15.9
128.06253	0.5
129.06982	1.9
131.04889	0.6
131.07022	9.1
137.05956	25.6
141.05475	0.6
143.04901	3.6
144.05627	0.7
145.04942	12.2
145.08571	100.0
146.08904	0.7
151.03870	0.8
151.07535	0.5
155.06975	1.1
157.06476	1.5
160.05164	4.1
161.05913	1.0
163.03914	0.6
163.06001	13.4
163.07364	0.6
172.05161	0.6
173.08061	2.2
174.06776	0.8
175.07510	25.9
176.10458	0.4
179.05457	0.4
185.08102	0.6
187.05983	1.3
187.07503	10.7
189.09106	3.1
191.09119	8.8
199.07489	0.5
201.09119	0.5
203.08585	0.7
205.06912	0.7
205.08577	4.3
205.41463	0.4
211.07520	0.7
217.08578	1.4
219.10149	0.6
229.06848	1.0
231.08051	0.8
233.09993	0.5
235.09615	6.8
237.69197	0.4
239.06941	0.6
239.09029	0.7
247.07921	1.2
248.08330	0.8
249.74539	0.4
253.06931	0.6
257.10193	1.7
259.07410	0.6
263.10623	1.0
270.09027	0.4
271.07794	3.3
275.11166	0.6
279.10214	0.7
283.09714	0.6
289.09103	6.0
291.10117	3.0
299.11182	3.3
307.10129	5.4
308.09973	0.4
311.12585	1.4
317.12286	4.9
319.11008	0.4
323.12790	3.6
325.14273	0.7
335.13358	6.1
341.10043	0.7
341.13760	7.8
341.38275	0.4
357.13202	1.2
359.13080	0.5
372.31451	0.4
1016.36243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.9685
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	9.5
60.04501	4.0
60.95845	100.0
61.82241	2.8
62.92979	6.2
67.89184	3.1
71.42519	3.2
75.94543	3.6
96.58175	3.1
102.12772	4.7
102.96843	23.1
103.00597	4.0
103.05930	4.0
104.10716	3.2
106.45206	3.1
120.97885	28.8
121.01635	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	1.3
71.04958	1.6
71.20352	1.9
73.02905	2.4
79.05486	7.9
80.70816	1.3
81.03401	5.9
81.07047	15.6
83.08597	4.4
85.02888	60.2
87.04459	3.0
91.05454	7.0
93.07037	10.0
95.04927	2.2
95.08585	13.9
97.02890	13.7
99.04455	3.3
105.06992	12.0
107.04912	1.6
107.08570	16.5
109.02855	7.5
109.06515	2.5
109.10136	16.7
115.05479	2.1
117.06994	2.3
119.04885	1.7
119.08585	7.4
121.06503	6.0
121.10132	10.9
123.08086	2.8
123.11678	8.0
127.03895	14.0
129.06946	2.1
131.08542	4.7
133.06483	3.2
133.10135	3.2
135.07977	2.4
135.11661	2.9
137.05942	3.4
137.09517	2.0
142.07755	1.3
143.08536	5.0
145.04921	7.3
145.10086	7.5
147.08025	3.3
147.11623	1.9
149.13243	2.3
151.07642	1.6
155.08504	1.6
157.06464	2.7
157.10130	3.4
159.08052	2.5
159.11667	3.8
161.09616	3.0
161.13280	1.9
163.03908	1.7
163.05983	3.4
163.07382	1.5
163.14830	3.9
164.06926	1.5
165.09137	2.0
167.08443	1.6
169.10143	3.3
171.08018	3.9
171.11659	3.2
173.09581	14.5
173.13257	1.4
173.39001	1.2
175.11171	4.4
177.16370	3.7
181.10091	2.2
183.11647	2.4
185.09631	3.7
185.13232	2.8
187.11159	4.7
189.12766	1.8
195.11688	2.2
197.13251	2.4
199.11169	3.1
199.14932	1.9
201.12711	2.8
201.96614	1.3
209.13158	2.2
211.14839	2.1
213.12680	5.5
213.16312	1.4
215.14307	2.6
221.13213	1.5
225.12683	2.3
226.41643	1.4
227.14273	4.4
231.13829	2.6
241.15846	1.9
245.15332	2.1
249.14670	2.2
263.16364	5.4
272.40222	1.4
275.16342	3.2
279.17471	2.1
283.20514	2.0
295.16949	5.1
297.18387	5.6
297.21863	3.2
299.16437	3.2
301.18320	1.4
313.17816	7.1
315.19467	11.3
317.21188	6.4
327.19586	1.8
329.21103	1.9
331.22250	1.4
351.23038	1.7
369.24390	3.8
383.25781	1.5
421.30896	5.5
439.32016	20.0
457.32416	1.7
479.26404	3.3
481.32843	4.1
499.34073	62.1
517.35577	1.6
601.37134	18.1
661.39325	100.0
662.39642	4.1
679.40027	8.5
1020.36255	2.1
1021.34900	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	1021.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
79.45720	0.7
81.52906	0.7
84.96149	0.6
87.92794	0.6
94.45544	0.6
96.38038	0.7
98.22673	1.6
132.55290	0.7
169.04736	1.5
185.04250	1.8
213.07491	2.3
221.59642	0.7
227.05304	0.9
255.08440	1.1
257.06412	1.0
285.09589	1.8
329.08585	3.1
357.11877	2.1
453.14380	1.1
481.17212	1.8
552.18176	0.8
589.08594	0.8
685.21063	1.5
687.22571	4.0
705.72974	0.9
713.24329	2.5
715.25769	3.4
735.35516	0.8
1021.35040	100.0
1022.35303	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	1026.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02898	0.8
78.31437	0.3
81.03419	5.1
85.02899	6.0
87.04465	5.3
95.04949	0.5
97.02882	16.8
99.04457	1.3
103.03954	0.4
107.04938	0.3
109.02874	7.8
111.04444	1.0
115.03921	100.0
116.04237	0.5
123.04436	0.9
127.03903	10.3
133.04962	8.5
134.63979	0.4
139.03929	0.4
145.04958	2.4
151.03871	0.6
153.21268	0.3
153.57631	0.3
157.04973	0.9
163.03940	0.5
169.04951	0.7
175.06038	0.6
177.05377	0.4
181.04901	0.6
187.06044	1.1
193.04984	0.9
195.06503	0.4
199.05998	0.6
205.05013	0.6
211.06017	1.1
217.07097	1.4
223.05998	3.0
229.07121	1.4
235.06049	0.6
241.07062	5.0
253.07100	0.7
259.08121	13.8
277.09152	13.2
301.09164	3.5
325.09015	0.4
337.09186	1.0
343.10263	0.4
349.08963	0.6
355.10226	2.4
367.10132	1.7
373.11267	4.4
385.11163	1.5
391.12241	0.9
403.12256	0.8
421.13177	1.0
463.12167	0.9
481.13300	5.5
499.14392	7.5
517.15491	10.9
535.16370	4.4
775.21942	0.6
926.53259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04989	0.4
73.02901	0.9
81.03408	6.0
83.04965	0.5
85.02889	6.9
87.04453	5.3
87.57935	0.3
95.04948	0.4
97.02877	16.4
99.04435	1.6
101.02381	0.4
103.03929	0.3
109.02855	8.3
111.04398	0.7
115.03910	100.0
116.04279	0.4
121.02782	0.3
123.04394	0.7
127.03896	9.4
133.04948	8.5
139.03915	0.7
145.04927	2.1
147.04436	0.4
149.05914	0.6
151.03908	0.8
157.04958	0.8
165.05444	0.7
169.04982	0.6
175.05988	0.6
177.05487	0.8
181.04936	0.7
187.05965	1.5
189.05406	0.4
193.04887	0.8
195.06482	0.4
199.06020	0.8
205.04915	0.7
211.06032	1.3
217.07040	1.8
223.05998	3.3
229.06982	1.6
233.22429	0.3
235.06044	0.5
241.07025	7.3
253.06972	0.6
259.08099	17.1
265.07065	0.5
271.08163	0.3
277.09140	16.8
283.07874	0.4
301.09116	3.6
309.58301	0.3
310.13147	0.3
325.09244	0.6
337.09216	1.5
343.10202	1.0
349.09213	0.4
355.10239	2.8
367.10358	2.0
373.11197	6.4
385.11328	1.8
391.12338	2.0
401.11014	0.3
403.12061	0.7
409.12540	0.3
415.11929	0.5
421.13199	1.3
463.12408	0.8
481.13425	7.0
499.14352	10.6
517.15466	15.5
535.16528	7.0
553.18036	0.4
584.76953	0.3
739.20282	0.4
757.22455	0.5
775.22241	0.4
1037.01794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.7
51.02374	3.0
51.24775	0.5
53.03944	10.8
55.01862	0.7
57.91116	0.6
58.06595	4.5
59.07375	1.0
60.08158	38.8
60.95850	12.6
71.32980	0.9
77.03924	16.1
87.04456	0.6
91.06989	0.5
95.04958	56.2
96.05331	0.9
102.04674	5.4
102.96853	6.2
103.05459	100.0
104.05804	2.1
104.10734	77.5
105.04508	22.6
105.05059	0.4
106.04829	0.7
116.83604	0.6
120.97868	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	103.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
57.03431	36.1
57.07070	13.1
58.06594	7.7
59.04976	1.9
59.07359	1.7
60.08158	28.4
60.95850	8.3
61.02918	2.4
67.05493	3.7
68.52455	1.7
69.98071	1.6
77.03919	9.9
85.06526	8.0
86.06049	2.0
86.85723	1.7
87.04476	2.5
89.78785	1.7
95.04958	47.1
96.05109	1.5
102.04678	4.5
102.96861	3.9
103.05457	100.0
103.07542	3.4
103.09522	2.0
104.10732	61.1
105.04508	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	103.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	44.1
57.07068	13.0
58.06590	8.2
59.04991	2.1
60.08160	49.0
60.95587	2.2
60.95853	26.4
61.02917	2.6
62.92974	3.7
67.05483	5.2
69.03423	2.3
71.41553	2.3
79.80557	2.0
85.06525	12.7
86.06049	2.5
87.04448	3.1
95.04975	11.6
95.74426	2.2
102.96838	9.4
103.05463	25.3
103.07495	2.8
103.13178	2.8
104.10734	100.0
105.04513	5.2
120.97891	6.5
123.34597	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	1030.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02882	0.6
78.24129	0.5
79.05447	0.7
81.03400	7.2
85.02895	3.6
85.06528	6.1
89.06022	2.0
94.04204	0.9
95.04949	1.9
97.02879	7.2
99.04435	9.7
103.05457	0.7
109.02868	7.7
109.06514	0.6
113.05992	5.4
115.03844	0.6
115.05421	1.7
117.05469	9.6
122.03613	1.3
123.04402	0.5
127.03911	9.5
127.07536	15.7
129.06993	1.5
131.07022	100.0
132.07278	0.7
137.05956	23.8
137.07005	1.2
141.05437	2.8
143.04903	2.4
145.04884	3.1
145.08577	98.8
146.08929	0.9
151.03873	0.7
152.88266	0.8
153.05409	0.6
155.07004	1.2
157.06482	1.9
159.06479	3.3
160.05209	4.0
161.05894	0.9
165.09058	1.0
172.05173	1.1
173.06006	0.6
173.08038	1.2
174.06781	1.0
175.07523	24.3
177.07564	11.8
177.09129	0.7
185.08046	0.6
187.05965	1.2
187.07500	8.8
189.09068	2.9
191.09128	9.3
201.09038	0.9
205.08575	4.2
217.08598	1.3
219.10162	1.0
231.08243	1.1
231.40215	0.7
235.09645	6.5
243.08829	0.8
253.07211	0.7
257.10150	1.5
259.07617	0.8
261.09692	0.8
263.10645	1.4
270.08749	0.8
271.09610	1.8
275.11322	1.0
285.09598	5.6
291.10068	3.3
299.11322	2.6
303.10687	5.7
311.12827	2.0
317.12296	5.1
321.11731	5.9
323.12930	3.4
325.14215	1.1
335.13214	6.1
341.13718	7.3
357.13278	1.3
359.13245	1.0
465.15762	0.8
468.91983	0.7
570.28217	0.6
1030.35620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02885	0.4
79.05471	0.2
81.03408	3.4
82.99479	0.2
83.04961	0.2
85.02896	10.3
85.06529	5.1
87.04446	0.4
91.05462	0.4
94.04172	0.9
95.04951	1.3
97.02879	5.1
99.04459	1.1
103.07564	0.6
108.04463	0.2
109.02868	3.2
109.06525	0.3
111.04436	0.3
113.05982	5.5
115.05447	1.4
117.03325	0.3
117.07014	0.5
119.04912	0.3
122.03606	1.4
125.05959	0.3
127.03904	4.6
127.07538	15.3
128.06177	0.4
129.07008	1.4
131.04881	0.6
131.07021	8.0
132.05740	0.3
137.05963	18.9
141.05447	0.5
143.04915	2.0
144.05684	0.5
145.04942	3.5
145.08577	100.0
146.08923	0.5
147.08026	0.2
149.05988	0.3
151.03886	0.6
151.07513	0.6
153.05443	0.5
155.07021	0.8
157.06448	1.3
160.05168	3.0
161.05948	0.6
163.03870	0.7
163.05988	0.7
163.07550	0.7
172.05194	0.7
173.08089	2.0
174.06763	0.5
175.07524	16.9
176.07816	0.2
177.05441	0.7
177.76567	0.2
179.05556	0.3
180.08679	0.3
185.06131	0.3
185.08064	0.7
187.05981	0.6
187.07512	8.2
188.08362	0.3
189.09065	2.1
191.09119	14.3
192.09303	0.2
199.07452	0.3
201.09108	0.3
203.08614	0.3
205.06691	0.4
205.08551	2.9
211.07501	0.5
217.08582	0.8
219.08020	0.4
219.10103	0.5
231.08026	0.5
235.09595	4.1
239.06918	0.4
239.09155	0.3
245.10065	0.3
247.07578	0.4
248.08302	0.4
251.10823	0.3
255.06413	0.5
257.10150	1.3
259.07672	0.2
261.08984	0.2
263.10727	0.6
265.08496	0.2
270.08826	0.4
271.09573	1.2
275.11215	1.0
276.07779	0.3
279.10144	0.6
283.09622	0.4
287.05386	0.6
291.10239	2.2
293.08002	0.2
296.10425	0.3
299.11133	1.6
309.11017	0.3
311.12668	1.3
317.12247	3.7
323.12796	2.7
325.14285	1.3
335.13336	7.5
341.13815	6.0
342.13876	0.3
357.13232	0.6
452.91376	0.2
468.17886	0.2
479.17438	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	1035.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08126	1.0
87.97594	0.4
92.33033	0.5
92.65762	0.4
125.02100	0.7
137.06000	0.6
139.03683	0.6
153.05290	0.7
154.06116	0.5
163.03885	0.5
169.04707	1.0
199.05830	2.0
213.07281	2.8
255.08455	0.8
271.07996	0.9
283.08075	0.6
285.09470	0.9
291.08286	0.7
301.09045	0.5
315.10577	0.6
327.10568	0.5
343.09833	3.4
357.11469	4.0
467.15311	1.4
473.93130	0.5
481.17014	1.7
577.18567	1.0
641.23059	0.8
644.66626	0.6
653.21997	0.7
655.23853	1.4
671.22992	0.9
699.23047	2.2
700.23212	0.6
701.24268	3.2
713.23621	2.4
715.25256	4.0
758.07129	0.5
959.37817	0.5
1035.36633	100.0
1036.36829	1.9
1066.69727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88188	0.2
58.06592	4.4
59.07372	1.8
60.08155	47.3
61.08493	0.5
70.30189	0.1
75.41330	0.2
86.09678	0.2
87.04488	0.2
99.41489	0.2
104.10728	100.0
105.11053	1.8
108.67792	0.1
114.84819	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	5.1
59.07364	1.7
60.08153	50.1
61.08473	0.4
69.56155	0.4
69.56537	0.5
70.43323	0.2
72.96554	0.2
82.85808	0.2
91.12437	0.2
101.73669	0.2
104.10723	100.0
105.11036	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	1044.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03402	3.8
81.07049	0.3
85.02889	1.9
85.06044	0.4
85.06532	6.0
91.05479	0.3
94.04145	0.4
95.04947	1.6
97.02879	3.7
99.04448	1.2
103.05452	0.3
103.07569	0.4
108.04450	0.5
109.02859	4.4
109.06465	0.4
109.10135	1.0
111.04432	0.3
113.05991	6.1
115.05427	0.8
117.06936	0.3
122.03629	1.3
127.03893	4.4
127.07533	18.1
129.06970	0.7
131.04893	0.6
131.07019	6.6
137.05952	12.7
137.09581	2.4
141.05486	0.5
143.04881	1.3
145.04926	1.7
145.08571	100.0
146.08931	0.8
151.03888	0.6
151.07457	0.3
155.07007	1.4
157.06393	0.6
160.05200	2.2
161.05972	0.6
163.07527	0.4
165.09081	2.0
169.04997	0.2
169.06465	0.2
172.05202	0.6
173.08084	1.6
174.06764	0.5
175.07520	11.6
185.08060	0.5
187.05951	0.8
187.07506	4.7
189.09038	1.7
191.09114	11.8
193.04872	0.3
196.17387	0.2
199.07524	0.3
201.09129	0.4
201.11095	0.4
203.08575	0.4
205.08594	2.1
217.08612	1.1
231.08018	0.3
233.10211	0.2
235.09595	3.3
239.06914	0.3
239.09058	0.3
245.09886	0.2
247.07672	0.3
248.08316	0.4
257.10107	2.2
259.07501	0.3
263.10590	0.4
270.08734	0.3
271.09552	0.7
275.11240	1.2
276.07782	0.4
279.10233	0.3
281.10336	0.3
291.09988	1.2
299.11197	3.2
309.13327	0.5
311.12646	0.8
317.12231	4.9
323.12695	2.1
325.14035	0.6
327.14294	0.7
335.13290	6.9
341.13766	3.9
344.52759	0.3
357.13358	0.6
359.13220	0.7
425.14233	0.4
453.17432	0.5
471.18643	0.5
497.92896	0.3
586.66888	0.3
615.22308	0.3
722.54352	0.2
943.88513	0.3
1044.37341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02897	0.2
75.93877	0.2
81.03401	3.5
85.02892	2.2
85.06531	6.3
91.05469	0.4
92.48466	0.2
94.04159	0.6
94.66808	0.2
95.04955	1.5
97.02885	3.4
99.04445	0.6
103.05422	0.3
103.07560	0.4
108.04448	0.6
108.31676	0.2
109.02866	3.7
109.29650	0.2
111.04396	0.3
113.05986	6.0
115.05415	1.3
117.07030	0.2
122.03598	1.0
123.04400	0.2
125.06004	0.2
127.03898	4.6
127.07535	16.9
128.06161	0.3
129.06996	0.8
131.04884	0.4
131.06256	0.1
131.07013	7.9
137.05956	12.5
141.05470	0.8
143.04901	1.0
144.05690	0.2
145.04950	1.3
145.08574	100.0
146.08917	0.3
151.03818	0.5
151.07431	0.3
153.05487	0.2
155.07013	1.2
157.06442	0.5
160.05183	2.3
161.05923	0.3
163.07489	0.4
169.06497	0.2
172.05219	0.4
173.08049	2.3
175.07526	11.3
185.08093	0.6
187.05992	0.7
187.07500	4.7
189.09074	1.0
191.09117	11.7
199.07397	0.3
203.08685	0.3
205.06889	0.3
205.08583	2.3
211.07617	0.3
214.48695	0.2
215.09059	0.2
217.08563	0.7
219.07948	0.3
219.09973	0.2
231.08133	0.3
232.08791	0.3
233.10056	0.3
235.09608	3.0
239.09120	0.4
245.10083	0.3
248.08194	0.3
253.07063	0.3
255.06621	0.2
256.78781	0.2
257.10138	1.8
263.10574	0.7
270.08926	0.2
271.09708	1.1
275.11227	1.2
279.10257	0.2
291.10107	1.3
299.11197	2.7
311.12729	0.6
317.12262	5.3
323.12726	1.4
325.14163	0.3
335.13306	7.6
335.17285	0.4
341.13812	4.0
342.30594	0.2
357.13220	0.7
359.13306	0.4
530.64319	0.2
652.74194	0.2
656.17303	0.2
808.67230	0.3
943.40753	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	1046.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
73.19480	0.1
81.03407	3.3
81.07059	0.2
81.47058	0.2
82.03326	0.2
85.02887	2.5
85.06531	6.5
91.05473	0.5
95.04958	1.8
97.02872	3.1
99.04460	0.6
103.05463	0.4
103.07556	0.3
108.04464	0.5
109.02864	4.1
109.06574	0.2
109.29105	0.2
111.04439	0.2
113.05986	6.1
115.03873	0.3
115.05430	0.6
117.06970	0.3
119.04956	0.2
127.03898	5.3
127.07536	17.2
128.06210	0.4
129.06999	1.8
131.04929	0.7
131.07025	7.8
131.08514	1.5
136.14635	0.2
137.05965	4.0
137.09607	0.4
141.05424	0.5
141.06979	1.5
143.04912	0.3
143.08514	0.4
144.05684	0.3
145.04921	1.6
145.08575	100.0
145.29340	0.2
146.07213	0.2
146.08900	0.7
151.07465	1.0
152.33313	0.2
155.07036	1.6
157.06416	1.6
158.07251	0.7
159.08046	1.3
160.05188	0.2
161.05923	0.3
162.06737	0.3
163.03979	0.3
163.05913	0.2
163.07559	0.9
165.09067	0.2
167.07056	0.2
169.06473	0.6
170.07233	0.3
171.08011	0.4
173.05927	0.2
173.08084	1.9
174.06741	2.8
175.07521	1.5
181.05009	0.2
185.08058	0.3
186.06743	0.6
187.05957	1.0
187.07530	0.6
188.08258	0.2
189.09087	6.1
191.09120	11.0
191.10628	0.7
193.04927	0.2
201.09074	2.8
203.10648	3.6
207.10101	0.3
211.99408	0.2
219.10126	30.2
220.10440	0.4
221.11777	0.3
232.08978	0.2
233.09995	0.5
237.11133	0.7
239.09137	0.4
247.07199	0.2
257.10181	1.9
263.10748	0.3
265.12000	0.2
273.09598	0.2
275.11133	1.4
279.10007	0.3
291.10358	0.5
293.11523	0.3
299.11160	2.7
309.11133	0.3
317.12265	4.9
325.14276	1.4
333.11630	0.5
335.13290	7.9
341.13885	1.2
343.15250	0.3
351.12747	0.2
353.13565	0.3
359.13168	0.8
370.13922	0.3
391.17279	0.5
433.16119	0.4
451.17456	0.5
479.17740	0.3
505.20465	0.2
517.20264	0.2
864.09766	0.2
1046.38379	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
125.02154	0.7
137.06049	0.5
153.05293	1.0
169.04794	0.9
213.07312	4.6
213.09280	0.3
255.08397	1.4
285.09354	2.1
295.11624	0.3
297.09534	0.8
315.10391	1.0
329.26819	0.3
341.12326	0.8
357.11514	6.1
372.43124	0.2
421.14917	0.5
449.14352	0.2
463.15955	0.4
476.93866	0.2
481.16858	2.8
509.16388	0.7
511.88074	0.3
531.18219	0.3
543.18536	0.4
585.19476	0.5
591.20428	1.3
653.22858	0.3
655.23865	2.1
671.23376	0.9
685.24817	0.8
700.24371	0.4
713.23877	4.0
714.24792	0.3
715.25592	5.8
715.37799	0.4
743.25708	0.6
859.30542	0.6
877.29883	0.3
919.31360	0.5
989.36011	0.6
1049.38171	100.0
1050.38025	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	1049.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
110.92645	0.3
113.73416	0.3
125.02126	0.6
137.06000	0.6
146.07721	0.4
153.05275	0.6
167.06981	0.5
168.07542	0.4
169.04770	0.9
184.03665	0.3
195.06232	0.4
213.07271	3.8
255.08498	1.3
259.38327	0.4
285.09567	1.4
291.08594	0.4
297.09543	0.8
315.10687	1.3
341.12186	0.8
351.11093	0.3
357.11505	6.5
365.43674	0.3
464.01035	0.4
481.16513	2.8
509.16537	0.8
585.19550	0.5
591.20911	1.0
655.23401	1.9
671.23499	1.0
685.25195	0.6
713.23810	3.9
715.25745	5.5
743.25378	0.7
766.18469	0.4
776.73376	0.4
859.30200	0.8
989.36249	1.0
1049.38220	100.0
1050.38293	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01582	1.0
51.02366	3.4
53.03944	6.4
60.08158	0.9
65.03922	1.3
77.03929	6.5
79.05489	46.4
80.05830	1.4
95.04962	35.0
103.05463	30.9
104.05800	1.4
105.03393	2.9
105.04516	14.7
105.07022	100.0
105.11081	3.3
106.06553	2.5
106.07352	2.2
116.07436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.0
51.02375	4.0
53.03944	7.6
60.08158	0.6
61.08488	1.2
69.60867	1.4
69.61276	0.8
77.03924	7.9
79.05483	46.0
80.05824	0.5
89.45876	0.5
89.91908	0.5
95.04957	36.4
96.05247	0.7
103.05455	32.8
104.05775	0.6
105.03425	3.6
105.04508	13.5
105.07016	100.0
105.11082	3.2
106.06573	1.1
106.07346	2.1
123.30132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08148	0.3
88.73307	0.2
94.04153	0.2
115.57561	0.2
125.02088	1.2
126.02947	0.5
137.06041	0.6
141.05301	0.4
145.08540	0.4
147.04289	0.2
153.05197	1.0
155.48383	0.2
159.04175	0.6
168.07660	0.6
169.04686	1.6
213.07300	5.1
225.07532	0.2
228.24857	0.2
255.08438	1.5
259.09360	0.2
280.11365	0.2
285.09363	1.7
297.09445	0.7
307.02313	0.2
313.12741	0.4
315.10693	0.7
329.12286	0.3
334.90662	0.2
341.12073	1.6
357.11508	6.8
357.15689	0.4
367.11877	0.3
381.13092	0.3
383.14471	0.3
411.14185	0.2
421.14920	0.5
445.14709	0.2
463.15759	0.4
481.16763	1.7
509.16141	1.6
521.20319	0.4
527.19232	0.5
533.20105	0.3
545.20135	0.7
549.19373	1.5
557.20685	0.3
576.39569	0.2
585.19733	0.3
587.20673	1.1
593.22351	0.7
655.23395	0.5
657.25031	3.0
673.25177	0.5
687.26642	0.7
701.24109	0.9
703.26239	0.3
715.25793	3.4
716.26349	0.3
717.27142	9.3
745.27026	0.6
861.30957	1.0
879.32690	0.5
921.33270	0.4
991.38055	0.9
1051.39746	100.0
1052.39453	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	1058.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03404	1.4
85.02887	4.6
91.05484	0.9
94.04173	3.0
94.16800	0.7
97.02863	1.4
103.05447	1.2
109.06519	0.8
115.05424	5.9
117.01801	0.6
117.07011	2.0
119.04960	0.9
122.03637	3.4
125.05967	1.3
127.03915	0.8
128.06236	1.1
129.06984	4.8
131.04907	2.7
137.05954	81.2
143.03839	1.0
143.04901	12.9
144.05647	1.9
145.04956	1.2
145.06497	1.6
147.04507	0.8
149.05936	1.3
151.03880	1.3
153.05417	2.2
157.06490	4.5
158.07237	0.7
160.05164	15.2
161.05954	2.8
163.03888	0.8
163.07494	2.6
172.05165	3.2
173.05873	0.7
174.06764	1.6
175.07516	100.0
176.07832	0.9
177.05574	0.8
177.08971	0.9
180.08594	2.2
182.92928	0.6
187.07513	36.6
189.09079	7.3
191.08432	0.9
193.08704	1.0
203.08530	1.4
205.06642	1.2
205.08566	24.6
211.07526	0.9
217.08539	3.2
219.07945	1.8
231.07965	1.4
235.09608	43.1
239.07034	1.5
240.07776	0.8
248.08244	1.0
251.10623	1.5
255.06491	1.2
259.07312	1.0
263.10507	3.3
270.08792	1.6
271.09589	3.9
279.10098	2.4
291.10132	5.6
296.10220	0.9
308.10498	0.8
311.12671	3.3
323.12769	6.7
341.13840	14.6
785.23199	0.7
928.82867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
83.17532	0.4
99.58316	0.4
102.47879	0.5
112.49539	0.5
125.36089	0.5
128.67499	0.4
175.03644	5.7
188.14673	0.5
203.03220	0.7
205.04698	13.6
205.06453	0.9
206.05302	0.5
217.04855	0.6
218.05440	5.5
219.06403	0.7
224.54974	0.5
232.07057	4.9
234.83356	0.5
249.07487	0.7
261.07330	0.7
289.30542	0.5
346.62851	0.5
352.96677	0.5
409.12881	0.6
415.13586	5.6
429.15125	7.1
437.12643	0.5
440.14572	1.8
451.13632	0.6
452.14462	3.6
453.15662	1.3
498.47031	0.6
619.22009	0.7
631.21283	0.6
635.21204	0.6
649.22394	10.9
661.22253	0.8
663.24512	0.9
679.23242	4.6
862.30090	1.8
925.08411	0.5
1059.38123	100.0
1060.38330	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	1065.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04474	0.2
77.00150	0.1
79.05480	0.8
81.03403	4.1
83.01308	0.2
83.04971	2.1
85.02891	19.4
87.04454	0.4
89.03899	6.8
91.03944	0.5
91.05467	0.2
95.04955	0.5
97.02879	6.0
99.04441	1.2
101.02313	0.1
103.03913	0.2
107.04940	1.7
109.02869	2.1
111.00796	0.2
111.04422	2.4
113.89436	0.1
115.03894	0.6
115.91090	0.1
117.03360	6.5
119.04889	0.3
121.02840	1.5
123.04420	0.2
123.71048	0.1
125.02363	0.5
127.03896	4.2
129.05463	1.3
133.02797	0.2
133.04965	1.3
135.04396	14.0
137.02321	0.3
145.02827	9.5
145.04906	4.7
147.04388	1.2
147.06474	0.6
151.03865	0.3
153.01819	1.1
153.05515	0.2
153.68466	0.1
157.06520	0.1
163.03874	100.0
164.04211	0.6
165.01833	0.4
165.05499	0.2
175.03957	0.1
179.03806	0.1
179.05487	0.5
181.04922	5.1
183.02875	0.2
185.05869	0.1
186.05423	0.1
203.07071	0.2
213.05411	0.4
213.07401	0.1
231.06465	0.2
239.09048	0.1
241.04866	0.3
245.04514	0.1
255.08731	0.6
258.05231	0.3
271.05945	1.3
273.07413	0.6
283.05762	0.2
286.04663	0.2
287.05450	31.7
288.05728	0.3
289.07022	0.1
291.08524	0.5
293.12305	0.3
299.05450	1.3
300.06207	0.3
307.08096	3.9
309.09760	0.7
311.05371	0.3
313.07028	0.2
325.09171	6.8
329.06509	1.9
353.06525	0.7
379.08032	0.5
397.09143	1.8
415.10132	1.1
417.11612	0.3
431.77380	0.1
433.05609	0.2
433.11230	2.9
435.12766	0.6
471.15051	0.1
523.10052	0.1
595.16461	1.5
602.67139	0.1
974.31549	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	1065.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
84.96027	0.4
98.97572	2.0
115.67432	0.3
116.98653	1.3
121.96542	0.3
126.02435	0.3
128.98628	0.5
131.95598	0.3
134.99686	0.5
137.96817	0.3
146.99701	0.4
161.01283	0.5
164.64417	0.3
169.03699	0.3
177.00694	0.3
189.00694	0.3
203.02306	0.6
219.01866	0.8
237.02740	1.9
258.08228	0.4
261.02969	0.5
263.06067	0.4
270.78949	0.3
363.06033	0.4
400.08084	0.3
405.07263	0.3
415.10867	1.3
475.13269	0.4
503.33902	0.4
559.15149	0.5
574.47760	0.4
577.16058	0.4
601.15894	1.1
619.17181	1.0
661.17413	0.4
763.21130	1.7
805.22394	0.6
861.26245	0.4
903.25970	1.5
924.00574	0.4
1065.35583	100.0
1066.35181	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	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00757	0.2
51.02359	0.5
52.03131	0.2
52.53531	0.2
53.03943	1.7
55.01859	0.5
63.57582	0.2
64.95522	0.3
65.03931	11.3
66.04276	0.4
67.05495	1.6
69.49187	1.2
77.03915	0.7
79.05479	17.6
80.05005	3.1
80.05796	0.6
91.05465	100.0
92.05739	2.2
92.06297	2.6
95.04951	4.8
96.04488	0.4
103.05446	0.6
105.04508	1.6
105.07013	29.2
106.07349	1.1
107.04940	7.5
107.06056	0.5
107.08574	31.6
108.04476	1.8
108.08087	1.5
108.08914	1.2
109.06498	15.5
110.06765	0.6
119.06051	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	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02370	0.3
52.88008	0.1
53.03937	0.8
54.49042	0.1
55.01863	0.4
55.40469	0.2
55.76382	0.2
63.02377	0.3
65.03931	11.7
66.04263	0.3
66.05470	0.2
67.05486	1.2
77.03925	0.5
79.05481	12.8
80.05009	2.0
80.05811	0.2
91.05466	100.0
92.05785	2.6
92.06260	2.6
93.05782	0.3
95.04958	2.5
96.04475	0.4
103.05442	0.6
104.50464	0.2
105.04522	1.0
105.07015	29.1
106.07342	0.8
107.04945	3.8
107.06081	0.5
107.08577	32.5
108.04466	1.2
108.08102	0.8
108.08911	1.1
109.06503	17.9
110.06844	0.4
113.64098	0.2
119.06043	10.8
120.06447	0.2
124.05225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
63.02345	0.3
65.03935	12.0
67.05487	1.1
77.03921	0.4
79.05487	11.5
80.05013	1.3
80.05808	0.5
81.72484	0.2
86.19633	0.2
91.05473	100.0
91.18122	0.2
92.05766	2.3
92.06305	2.0
95.04955	2.1
103.05457	0.7
105.04530	0.6
105.07021	28.2
106.04166	0.4
106.07368	0.9
107.04956	2.6
107.06086	0.6
107.08583	30.3
108.04468	1.5
108.08102	0.9
108.08888	0.9
109.06509	16.5
110.06831	0.5
119.06057	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	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02361	0.7
53.03939	2.5
53.93369	0.4
64.40947	0.5
65.03934	13.0
67.05497	3.9
69.50092	1.9
75.11459	0.5
77.03922	1.6
79.05482	30.6
80.05003	3.2
91.05467	100.0
92.05740	2.4
92.06320	2.7
95.04952	8.4
96.04499	0.5
103.05436	0.7
105.04507	2.6
105.07014	27.0
106.07303	0.8
107.04942	11.7
107.06056	0.7
107.08578	31.2
108.04496	2.6
108.08105	1.5
108.08910	1.2
109.06505	15.3
117.01185	0.5
119.05265	0.8
119.06049	9.4
124.05219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03942	0.9
55.01864	0.4
55.05511	0.3
57.71210	0.2
63.02370	0.4
64.68531	0.2
65.03937	10.5
67.05504	1.3
69.08208	0.6
69.08633	0.7
73.73341	0.2
77.03934	0.7
79.05489	13.7
80.05016	2.3
86.38792	0.2
91.05474	100.0
92.05794	2.6
92.06264	2.2
93.06595	0.3
95.04961	2.2
103.05481	0.4
105.04509	0.8
105.07025	30.8
106.06633	0.3
106.07349	1.0
107.04948	3.2
107.06085	0.7
107.08586	31.9
108.04489	2.1
108.08105	1.0
108.08930	1.0
109.06509	16.6
110.06848	0.4
119.06059	11.4
120.06392	0.3
122.78075	0.2
124.05208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.30131	0.8
53.03936	4.7
65.03934	12.6
65.87283	0.8
67.05492	2.6
77.03921	1.2
79.05486	23.2
80.05012	14.1
80.05791	0.9
81.03378	0.9
91.05472	100.0
92.05782	2.5
92.06272	2.7
93.05772	1.1
95.04972	5.9
97.46133	0.8
103.05460	1.0
105.04565	1.7
105.07016	29.9
106.07317	0.8
107.04952	11.5
107.06064	4.9
107.08579	31.9
108.04477	9.2
108.08109	6.4
108.08865	1.6
109.06510	18.8
116.57138	1.0
119.06056	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	1070.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	1.6
81.03403	5.7
81.07029	1.6
85.02888	7.3
85.06538	7.5
91.05470	8.6
93.07039	1.5
94.04179	3.9
95.04951	6.2
97.02875	5.6
99.04440	2.5
103.05460	7.1
105.07026	9.2
107.04966	6.2
109.02818	5.7
113.05994	6.2
115.05445	2.6
117.07025	2.5
119.04955	6.1
121.02860	2.1
121.06491	3.6
122.03624	4.8
123.04373	1.3
127.03902	6.1
127.07545	18.3
128.06221	1.9
129.06981	6.0
131.04933	13.8
131.06992	8.3
131.08527	1.7
133.02841	4.6
133.06480	5.2
133.10110	3.4
135.04391	1.3
135.07994	1.5
137.05957	66.1
137.09569	2.0
141.05389	1.7
141.07018	1.4
143.04895	1.5
144.05710	1.3
145.04919	3.0
145.08574	100.0
147.04373	6.1
148.05162	1.6
149.05966	4.8
151.03889	5.7
151.07516	14.9
153.05489	1.6
153.06882	1.1
155.07019	4.3
157.06436	3.2
159.07971	2.6
160.05206	1.9
161.05951	32.4
161.09587	7.7
162.06747	1.5
163.03912	2.3
163.07523	14.3
165.05479	2.1
165.06931	2.3
165.09108	3.2
167.06958	1.3
167.77438	1.3
169.06471	1.2
173.05940	1.3
173.08064	3.4
173.09451	1.5
174.06750	5.1
175.07526	12.7
177.05475	2.8
177.09064	7.9
179.07054	2.4
179.08519	1.3
187.07520	5.4
188.08295	1.3
189.09079	24.0
191.07144	1.6
191.09152	13.3
191.10753	2.2
193.06468	1.7
194.07208	1.3
195.07996	3.6
195.10152	3.1
197.05743	1.7
198.06670	1.8
199.07443	2.5
201.09003	3.8
203.07037	2.7
205.06523	2.2
205.08475	2.1
206.04422	3.8
207.08310	0.9
207.10130	25.5
209.05960	1.3
209.09674	1.6
210.06682	1.9
211.07487	2.1
211.62277	1.3
212.08167	1.4
213.09053	3.7
215.07022	2.4
217.08488	2.4
219.08014	6.1
219.10135	18.8
220.08983	1.5
221.05962	2.2
221.09602	1.8
221.11613	1.5
223.07492	3.2
225.09097	3.9
227.07112	1.8
233.07927	1.6
234.06558	1.9
235.07564	2.1
237.09088	3.5
241.08528	1.8
242.09286	1.3
243.10205	2.5
247.07437	2.7
248.08340	2.0
249.09048	4.1
250.06139	1.6
251.06944	3.2
251.10696	3.6
252.07841	1.6
253.08676	7.3
253.12389	1.4
254.09196	1.8
255.06494	3.5
255.10034	3.8
257.07925	2.1
257.10223	2.3
263.06955	1.3
263.10794	1.4
265.08502	8.8
267.10077	3.9
269.08026	3.6
270.08740	3.2
273.11203	3.9
275.11160	4.0
277.08292	1.9
278.09177	1.9
279.10199	6.4
281.11478	1.6
283.09583	3.5
283.13074	1.5
285.11273	5.5
287.12778	2.4
291.10095	2.8
295.09741	1.8
296.10532	3.2
297.11182	16.0
299.11124	1.5
302.09274	1.3
303.10156	1.9
305.12079	3.4
307.09558	1.8
309.11044	7.9
310.11948	2.5
311.12708	8.1
313.14282	2.6
315.12177	2.2
317.12216	3.7
321.11047	2.4
323.12756	4.3
325.10834	1.6
327.12234	1.7
329.13846	22.3
331.15341	7.0
333.11075	2.0
335.13275	9.8
337.14166	2.1
339.12131	2.1
341.13803	7.9
343.15411	3.1
351.14484	1.2
353.13800	1.4
355.15424	8.5
363.12433	1.9
367.15414	6.5
379.15277	4.0
381.17072	3.0
397.16473	18.6
405.13382	1.5
459.16943	1.8
461.19351	3.1
465.16418	1.4
479.20746	19.1
491.20544	6.9
503.19968	1.6
509.21570	10.5
511.76184	1.4
513.18848	1.3
519.20471	1.5
521.21564	3.5
557.21942	1.2
569.22040	2.0
599.22504	2.0
623.24615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04473	5.4
75.28676	0.6
78.27214	0.6
79.05466	2.6
81.03395	4.6
81.07043	6.6
83.04967	20.9
83.08607	1.1
85.02888	100.0
87.04446	3.1
91.03949	2.0
91.05451	2.8
93.07023	6.1
95.04948	2.6
95.08592	14.5
97.02877	27.7
97.10183	0.9
98.23444	2.5
99.04437	2.8
101.02368	0.8
101.06004	1.6
103.03938	1.7
105.07011	7.2
107.08569	9.6
109.02863	4.7
109.06510	0.7
109.10138	10.6
111.04425	14.3
111.08067	5.5
111.11725	0.6
113.02338	0.8
113.06019	0.6
115.03913	12.5
117.06968	0.9
119.08563	9.9
121.10120	6.9
123.04408	0.6
123.11705	2.7
127.03896	12.8
129.05455	28.5
131.08525	2.7
133.04955	8.3
133.10098	9.3
135.11646	4.2
137.13210	0.8
139.03879	2.1
139.11130	1.4
145.04930	19.1
145.10107	4.7
147.06497	16.7
147.07405	0.4
147.11650	8.2
149.13222	9.5
151.03874	0.6
157.04932	1.4
157.10115	0.7
159.06519	0.6
159.11668	5.4
161.13226	7.7
163.05995	8.0
163.14787	5.3
165.07561	1.9
169.04939	0.9
171.06485	1.8
171.11723	1.1
173.13228	3.7
175.14789	6.0
177.16376	5.7
181.04860	0.6
183.11681	0.7
185.13228	0.8
187.14806	4.2
189.16342	14.9
189.17984	0.9
191.17935	2.9
199.06064	1.1
199.14787	1.5
201.16350	11.1
203.17924	14.5
205.15857	1.7
205.19499	1.0
207.06636	0.8
207.17378	4.5
213.07542	1.1
213.16371	2.0
215.17914	5.7
216.52686	0.6
217.06927	0.6
217.19493	0.9
219.17368	1.4
221.18990	1.1
223.05853	0.7
225.07578	7.6
227.17909	1.4
229.19464	1.9
231.08586	1.4
233.18857	0.8
235.16907	1.5
237.07530	1.8
241.07103	0.7
241.19482	1.3
243.08603	4.9
243.21107	0.7
247.16946	1.9
249.18413	1.9
255.08562	3.9
255.20973	1.1
259.08081	3.1
261.09631	1.0
261.18478	1.3
269.22531	0.6
273.09647	6.0
277.09140	1.4
279.10675	12.8
283.24368	1.0
289.09238	0.9
291.10391	1.0
295.10199	5.5
309.11777	11.7
325.11292	3.6
327.23141	0.9
329.24695	1.0
343.25906	0.9
391.33478	5.2
397.30914	2.8
407.33240	0.8
409.34576	11.1
411.36459	1.0
425.34134	2.2
427.35867	1.2
437.34076	39.7
438.34427	1.0
455.35165	19.5
565.38922	1.1
583.39551	2.0
1049.92908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04460	4.3
79.05486	4.8
81.03373	5.5
81.07048	9.6
83.04965	26.0
83.05436	1.9
83.08611	2.0
85.02889	100.0
87.04470	3.5
91.03941	1.5
91.05466	4.1
93.07013	8.2
95.04960	3.2
95.08588	15.7
97.02876	33.1
99.04445	3.6
103.03963	1.0
105.06995	8.8
107.08558	11.7
109.02856	4.1
109.06452	1.0
109.10139	11.8
111.04433	16.9
111.08082	8.3
113.06062	1.1
115.03905	16.8
117.06985	1.0
119.08555	14.4
121.10113	11.0
123.04385	1.1
123.11704	3.9
127.03896	12.4
129.05463	32.7
131.08548	3.8
133.04955	7.0
133.10097	11.4
135.11678	6.8
137.13332	1.3
139.03870	2.9
145.04916	13.7
145.10106	6.8
147.06500	19.3
147.11670	10.3
147.12766	1.7
149.13217	13.3
149.14288	1.4
151.03983	1.0
157.05000	1.1
159.06451	1.2
159.11650	7.6
161.13225	9.9
163.05986	5.8
163.14796	10.0
165.07565	2.1
169.04988	1.8
171.06544	1.5
173.13257	3.9
175.14767	7.6
177.16333	9.1
183.11755	1.1
187.14745	5.6
189.16344	19.2
191.17941	3.5
199.14729	1.9
201.16333	18.1
203.17921	18.7
205.15907	1.4
205.19478	1.4
207.17424	7.2
213.16394	3.6
215.17946	8.0
217.15585	1.3
217.19405	1.5
219.17401	1.3
221.18932	1.7
225.07574	10.0
227.17989	1.5
229.19342	1.8
235.16852	3.0
237.07518	2.8
239.17972	1.3
241.07074	1.4
241.19571	1.9
243.08638	9.3
243.20950	1.6
247.16930	3.8
249.18446	1.6
253.19476	1.2
255.08615	3.1
259.08072	3.0
261.09595	2.8
261.18488	1.5
273.09622	6.6
279.10684	18.6
283.24103	2.0
291.10907	1.4
295.10254	5.2
309.11685	11.7
325.11218	1.3
327.23257	2.3
329.24655	2.1
353.08359	1.2
391.33542	8.7
397.30807	5.1
409.34525	18.5
411.36066	3.6
425.33710	4.8
427.35516	1.3
437.34064	62.8
455.35095	46.1
455.41727	1.5
459.74274	1.1
569.38141	1.1
583.39532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.5997
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04476	6.1
75.71719	0.8
79.05476	3.2
81.03415	3.0
81.06570	1.0
81.07045	17.6
83.04974	14.2
83.08617	2.7
84.04494	1.4
84.08134	2.3
85.02896	100.0
87.04462	2.3
91.05475	3.0
93.07047	5.7
95.04948	1.1
95.08596	24.0
95.09211	1.5
97.02880	18.2
97.03471	1.1
97.10140	1.3
99.04456	2.9
103.03941	0.9
103.05530	1.3
105.07054	5.2
107.08586	8.3
109.02882	3.0
109.10145	14.4
109.34298	0.9
111.04425	12.5
111.11662	1.1
114.29395	0.9
115.03919	6.7
119.08575	5.5
121.10132	6.2
123.11699	11.6
127.03898	10.6
129.05463	49.0
129.10291	1.3
131.08525	4.3
133.04948	2.1
133.10086	4.8
135.11703	5.9
137.06024	1.2
137.13225	11.7
143.08510	1.4
145.04968	9.9
145.10130	3.8
147.06509	25.7
147.11684	4.7
149.13281	4.1
151.03804	1.4
151.14801	1.7
152.14606	1.0
157.04950	1.3
159.11685	3.2
161.13278	2.4
163.05959	2.9
163.14848	1.6
165.07602	2.3
169.04997	1.1
171.06612	1.5
171.11676	2.3
173.08067	1.0
173.13266	4.2
175.14766	3.3
177.16425	1.6
179.17940	5.6
185.13214	1.6
187.14796	4.9
189.16364	5.0
191.17918	12.5
199.14827	2.3
201.16383	4.5
203.17906	7.1
205.19460	1.0
213.16302	5.7
215.17931	3.9
217.19450	1.6
225.07506	6.1
227.18068	1.1
229.19629	1.2
231.08614	1.5
237.07458	1.6
241.19478	2.2
243.08585	4.4
243.21054	3.0
255.08641	6.5
255.21086	2.6
257.22617	1.4
259.08154	3.2
259.16879	4.0
261.09705	1.5
269.22638	1.9
273.09613	7.7
279.10703	13.6
295.10156	2.8
309.11813	16.4
325.11240	1.0
393.35156	14.4
407.27661	1.0
411.36060	2.0
437.33972	3.2
439.35675	60.0
457.36594	2.1
585.40753	1.5
589.41290	6.2
697.77216	1.2
854.64099	1.1
1076.36780	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	1079.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04439	0.1
81.03394	0.4
83.04964	0.1
85.02892	3.1
87.04468	0.1
89.03898	0.6
91.03967	0.1
91.05468	0.4
95.04952	0.1
97.02868	0.9
99.04427	0.1
107.04937	0.1
109.02863	0.3
111.00805	0.1
111.04405	0.1
115.03915	0.1
115.05400	0.1
117.03371	0.5
117.22321	0.1
119.04928	1.1
121.02857	0.8
123.04363	0.1
125.02452	0.1
127.03886	0.5
129.01781	0.1
129.05458	0.3
131.04904	0.2
132.49911	0.1
133.05013	0.1
135.04398	1.1
137.02342	0.1
141.01761	0.1
141.06915	0.1
145.02841	1.8
145.04889	0.5
145.06564	0.1
147.04346	0.3
147.06470	0.1
148.05174	0.4
149.05949	0.1
153.01802	4.0
157.06445	0.2
159.04417	0.1
161.05984	0.2
163.03880	8.5
164.04250	0.1
169.06425	0.1
171.02875	1.1
172.05240	0.1
173.05975	0.2
175.03844	0.4
175.07356	0.1
176.04663	0.2
177.05446	0.2
183.04376	0.1
183.67958	0.1
185.05937	0.2
187.03888	0.2
189.05429	0.2
190.06265	0.1
191.03348	0.3
193.04913	0.1
197.06024	0.1
200.04581	0.4
201.05492	0.3
202.02553	0.2
202.06107	0.1
202.83212	0.1
203.07065	0.3
211.03922	0.1
213.05392	0.1
217.04910	0.2
218.05782	0.3
219.06529	0.1
225.05391	0.4
229.04942	0.7
231.02780	0.1
231.06451	0.1
243.06448	0.2
246.05214	2.4
247.06001	0.4
253.04825	0.1
257.04419	0.5
259.06039	0.2
270.05042	0.1
271.05963	100.0
272.06293	1.8
273.06601	0.1
275.05392	0.3
277.06989	0.2
283.05951	0.2
285.03839	0.5
287.05493	0.4
303.04810	0.3
313.07025	0.3
321.05960	0.6
337.06921	0.1
339.07065	5.2
340.07333	0.1
349.07022	0.1
417.11649	0.2
433.11313	1.2
579.16394	0.1
609.13861	0.3
659.78882	0.1
696.84192	0.1
771.17523	3.7
772.17523	0.2
917.22736	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	1081.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03914	0.1
79.05478	0.9
81.03401	1.0
83.04959	0.4
85.02898	0.5
89.03899	7.8
90.04255	0.1
91.05460	0.1
95.04948	0.6
97.02874	0.7
99.04441	0.2
105.04497	0.3
107.04232	0.1
107.04938	1.9
109.02872	0.6
111.00786	0.1
111.04417	0.2
115.05472	0.1
115.53057	0.0
117.03357	6.8
118.03687	0.0
119.04910	0.1
121.02870	0.5
123.04397	0.2
127.03893	2.5
129.04520	0.1
129.05443	0.1
129.06952	0.1
133.02818	0.1
135.04391	15.7
136.04713	0.1
137.02338	0.2
145.02823	11.6
146.03160	0.1
147.04390	0.2
151.03798	0.1
153.01802	0.3
157.06389	0.1
161.05952	0.1
163.03868	100.0
164.04204	0.8
165.01799	0.2
169.06409	0.1
173.05937	0.2
175.03864	0.1
176.50151	0.0
177.05528	0.1
181.04921	1.9
183.02875	0.1
184.05150	0.1
185.05890	0.1
186.05438	0.2
189.05394	0.1
191.03342	0.1
197.06013	0.1
201.05455	0.2
203.07071	0.1
213.05388	0.2
217.04936	0.1
219.06499	0.1
229.04912	0.1
231.06468	0.2
241.04897	0.2
247.05945	0.2
257.15109	0.1
258.05316	0.1
259.06088	0.1
271.05936	0.1
273.07550	0.2
277.06921	0.1
287.05447	12.0
288.05576	0.2
289.06903	0.1
291.08447	0.1
295.06015	0.1
299.05588	0.1
301.80869	0.0
307.08066	6.4
308.08496	0.1
323.05350	0.1
325.09119	9.8
326.09494	0.1
329.06497	0.1
415.09897	0.1
433.11151	0.3
435.12674	0.1
580.38269	0.1
611.13660	0.1
693.71057	0.1
1062.15454	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	1081.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03391	3.3
83.04511	0.9
83.04974	9.2
85.02892	5.4
95.04970	0.8
97.02882	5.0
99.04449	0.8
103.05473	1.0
107.04917	0.7
109.02888	3.4
111.04435	8.1
119.04942	0.5
121.02853	3.9
121.03719	0.6
127.03919	2.0
129.05452	1.4
130.51611	0.5
131.04924	1.2
135.04388	0.6
137.02315	5.0
137.05925	0.6
145.04953	1.1
147.04381	23.1
153.01837	1.2
159.04372	1.3
160.05164	6.0
161.05956	1.7
163.03870	3.6
165.01837	0.6
165.05478	1.4
165.06998	2.4
167.08557	0.5
169.06532	0.5
173.06001	0.5
175.03883	2.1
175.05280	0.6
176.06197	0.9
177.06993	2.3
180.52737	0.5
181.06480	3.6
187.03918	1.5
193.06468	1.1
195.08037	2.2
197.05942	0.9
199.07544	1.1
203.03354	1.6
205.04996	0.7
205.06465	15.5
211.07562	1.2
213.05490	0.8
215.03337	0.5
221.05928	24.3
223.07498	37.4
224.07794	0.8
227.07019	0.6
231.02892	3.9
233.05922	12.5
234.06601	1.2
239.06898	1.8
249.05434	24.4
250.06024	1.5
251.06992	44.6
252.07413	0.9
259.06113	0.6
265.64514	0.5
267.06512	5.3
269.08041	21.0
270.08301	0.7
271.05914	1.2
272.06149	0.6
273.07187	0.8
277.04929	13.1
281.08264	0.6
283.05978	0.7
285.07465	2.5
287.05450	24.2
288.05560	1.1
295.05963	100.0
296.06335	1.3
297.07425	0.6
299.05359	4.3
300.06281	0.7
301.06989	1.3
310.04843	0.6
311.05426	2.6
313.07004	71.0
314.07324	0.7
319.08276	2.5
323.05444	2.2
325.07162	1.4
329.06454	5.9
337.06915	1.0
339.04742	0.6
341.06528	11.3
345.07620	0.7
347.07813	2.4
353.06442	3.0
359.07797	0.7
379.07996	1.7
387.08453	0.8
397.09152	4.8
405.09467	2.6
415.10187	3.0
421.09119	0.7
423.10709	0.9
427.09998	0.6
433.11261	7.2
439.10168	1.9
457.11301	1.7
461.70755	0.6
467.09232	0.8
485.10355	2.9
503.11249	0.7
522.75867	0.5
525.13763	1.1
775.64124	0.6
1117.83057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
50.01600	0.4
51.02375	0.8
53.03937	12.3
53.23367	0.2
54.04274	0.3
55.01617	0.2
55.01852	1.3
55.05494	0.3
56.96563	1.1
65.03927	0.4
67.05493	2.6
69.89896	0.5
79.01839	0.8
79.05470	1.1
80.05013	0.3
81.03403	100.0
81.07052	1.3
82.03729	1.5
82.06563	1.3
92.04990	0.2
92.14146	0.2
94.04150	0.2
95.00758	0.9
99.04416	0.3
104.01283	0.7
108.95538	0.3
109.02859	27.8
109.06500	1.2
109.07624	2.7
109.10136	0.8
110.03176	0.6
110.06038	3.3
124.59570	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	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01874	0.8
55.05503	11.1
58.76341	0.5
58.98022	0.4
65.03934	5.6
66.04711	0.4
67.05495	100.0
68.05826	1.8
69.07053	5.2
70.42238	0.8
70.42558	0.8
79.05476	11.9
80.06284	1.5
80.73270	0.6
81.03403	8.2
81.07045	32.7
82.06575	0.8
91.05502	2.5
94.04176	1.8
94.07814	1.6
98.22862	0.6
107.04967	1.3
107.08576	3.7
109.02877	3.5
109.06497	9.1
109.07645	2.4
109.10140	38.7
110.06028	3.7
110.10488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03944	6.1
54.95341	0.5
55.01865	0.6
55.05504	10.0
56.71004	0.5
65.03939	5.3
66.04684	0.6
67.05497	100.0
68.05841	1.2
69.03426	0.5
69.07055	6.9
71.00571	0.7
74.10038	0.5
79.05485	11.0
80.05021	0.5
80.06250	1.6
81.03410	7.8
81.07048	35.3
81.10622	0.5
82.06552	2.4
82.07384	0.8
88.48659	0.6
91.05463	2.1
94.04192	0.9
94.07796	1.1
107.08596	3.8
109.02863	2.3
109.06501	4.2
109.07658	5.5
109.10142	39.4
110.06039	9.1
110.10477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03938	1.7
55.01858	0.6
55.05508	10.3
65.03938	3.8
67.05496	100.0
68.05833	1.8
69.07064	5.7
69.61663	1.0
69.62057	0.8
73.86828	0.4
79.05481	8.7
80.06283	0.9
81.03417	2.1
81.07047	32.5
82.06575	1.1
82.07394	0.8
91.05472	1.9
94.04169	1.0
94.07818	1.4
105.07030	0.6
107.04993	0.6
107.08582	3.4
109.02874	0.7
109.06512	2.9
109.07642	2.9
109.10143	42.2
110.06026	4.7
110.10485	1.6
110.60551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.20882	1.0
53.03939	5.7
55.05506	10.2
63.76899	1.0
65.03931	6.9
67.05495	100.0
68.05848	2.2
69.07054	6.3
69.29894	2.0
69.30304	2.6
74.82401	0.8
74.82983	0.8
79.05486	11.8
79.64459	0.9
80.05031	1.3
80.06270	1.4
81.03395	6.6
81.05336	1.2
81.07047	34.7
82.06557	4.7
91.05457	2.0
94.04188	1.8
94.07832	1.1
95.04937	1.0
105.06991	1.2
107.08581	3.0
109.02859	3.9
109.04789	1.4
109.06493	11.5
109.07634	12.2
109.08421	2.1
109.10143	45.8
110.06026	25.4
110.10493	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03945	1.4
54.19883	0.4
55.05251	0.9
55.05505	10.7
55.30346	0.4
60.61384	0.4
65.03938	3.9
67.05495	100.0
68.05829	1.5
69.07056	7.0
69.44997	1.4
79.05481	8.1
80.06279	0.9
81.07047	33.5
82.06561	1.0
82.07393	0.6
91.05431	0.8
94.07822	2.0
98.84071	0.4
107.08579	4.2
109.06488	0.6
109.07646	2.9
109.10143	59.2
110.06025	4.7
110.10436	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	1090.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03387	3.6
81.07037	2.3
83.04965	16.2
85.02890	100.0
87.04465	1.6
89.34518	0.9
91.03914	1.7
91.05437	1.2
93.07036	1.1
93.25026	1.1
94.85342	1.0
95.04930	2.3
95.08610	2.3
97.02872	27.5
99.04437	3.0
103.03918	1.5
105.06983	1.6
107.08563	2.0
109.02854	2.7
109.10077	1.2
111.04427	15.1
115.03915	10.9
119.08553	2.3
121.10127	1.1
123.04437	1.0
127.03898	14.1
129.05458	36.1
133.04941	7.4
133.10109	1.6
139.03896	2.1
145.04939	20.6
145.10042	1.1
147.06506	18.3
147.11636	1.1
149.13226	1.2
153.05406	1.2
156.24237	0.9
157.04958	1.4
159.11728	1.3
161.13171	1.3
161.75221	0.9
163.05978	8.2
163.14778	1.0
165.05473	1.1
165.07478	1.5
169.04866	1.3
171.06451	2.0
175.14742	1.2
177.16345	2.6
179.05452	1.8
187.14793	2.4
189.16417	2.3
199.06075	1.3
201.16374	1.9
203.17931	2.5
205.15825	1.9
225.07529	8.8
231.08804	1.0
237.07660	1.9
237.63255	0.9
243.08563	8.7
255.08607	6.0
259.08084	4.1
261.09607	2.7
273.09628	10.8
277.09052	1.7
279.10684	23.9
291.10675	1.4
295.10223	5.4
309.11707	14.7
325.11194	3.2
405.13504	1.0
407.33112	4.8
425.34076	4.2
435.32410	2.9
453.33463	7.8
471.33966	1.7
581.37268	1.7
582.42719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
78.94363	0.7
79.05482	1.0
81.03412	4.1
81.07036	3.0
83.04971	14.8
83.08575	0.8
85.02888	100.0
87.04438	2.5
87.70769	0.7
91.03967	1.4
91.05477	1.7
93.07027	2.2
95.04945	1.6
95.08581	5.1
96.79167	0.7
97.02871	24.1
97.03487	1.6
97.06500	0.9
98.22735	1.2
99.04437	3.7
101.06042	0.9
103.03947	1.4
104.09064	0.7
105.07030	1.4
107.08564	3.2
109.02878	4.8
109.10137	3.9
111.04417	15.0
113.06068	0.7
115.03904	11.7
119.08564	5.1
121.10142	3.2
123.04429	0.8
123.11752	1.8
127.03883	12.4
129.05455	36.4
131.08607	1.5
133.04971	5.6
133.10095	1.3
133.61508	0.8
134.81023	0.8
135.11667	3.5
137.13179	1.4
138.25955	0.8
139.03893	2.3
145.04926	20.9
145.10106	2.5
147.06496	19.3
149.13219	2.3
151.03888	1.1
157.10059	1.0
159.11684	1.4
161.13312	0.8
163.06004	7.4
163.07376	1.3
165.07582	1.3
169.04881	1.5
171.06415	1.0
171.11584	0.9
175.14772	1.3
179.05466	2.1
187.05902	1.0
187.14825	2.6
189.16321	0.9
191.17917	6.4
194.26190	0.8
195.06471	1.1
199.14865	0.8
201.16350	3.1
203.17938	2.3
205.19542	2.2
213.16409	1.0
223.05977	0.9
225.07561	5.7
231.17372	0.9
237.07506	1.5
243.08638	9.1
245.15511	1.0
255.08591	4.7
259.08209	3.5
261.09723	3.8
263.16437	1.0
273.09662	9.4
279.10703	22.0
285.85156	0.8
289.09183	1.0
291.10611	0.9
295.10165	4.4
309.11771	18.9
309.15289	1.2
325.11148	4.5
379.12506	0.8
385.21146	0.8
391.33578	1.1
409.34509	1.8
437.34271	4.2
455.35107	13.1
542.01929	0.9
751.51752	0.8
964.36163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	6.3
81.03404	3.3
81.07047	14.9
83.04975	22.3
85.02896	100.0
87.04462	3.5
91.05486	7.7
93.07038	11.9
95.04962	4.1
95.08597	24.2
97.02885	22.4
99.04462	2.2
101.06010	1.4
103.03887	2.1
105.07028	14.1
107.08582	17.5
109.02850	2.8
109.10145	20.0
111.04427	16.0
112.59227	1.2
113.02338	1.2
115.03917	9.4
115.05444	1.1
119.08590	13.4
121.10130	15.8
123.11706	6.5
127.03893	11.1
129.05464	44.1
130.78516	1.1
131.08539	6.7
133.04951	5.8
133.10127	13.7
135.11699	9.2
137.05997	3.3
137.13243	2.3
139.03847	1.9
139.11200	1.6
143.08586	2.5
145.04932	12.3
145.10085	10.8
147.06516	28.9
147.11650	12.4
149.13257	17.5
151.03867	2.6
157.10089	3.5
159.11681	8.0
161.13242	9.9
163.05995	3.5
163.14825	5.5
165.07512	2.7
171.06604	1.8
171.11641	4.2
173.13249	8.0
175.14839	6.4
177.16371	16.1
183.08414	1.2
185.13245	5.1
187.14807	17.8
189.16360	12.4
191.17963	4.3
195.17445	3.2
199.14842	3.3
201.16405	10.4
203.17932	18.4
205.15846	2.2
205.19379	2.3
207.17506	5.9
211.14790	1.6
213.16388	5.1
215.17920	5.9
217.19461	2.3
225.07564	6.8
227.18103	1.9
229.19371	1.4
233.15321	5.6
233.19016	1.6
237.07451	2.4
239.17961	1.8
241.19528	2.1
243.08723	7.3
247.17038	1.4
251.18076	1.3
255.08702	4.3
259.08044	3.3
259.16904	2.4
261.09592	3.3
261.18460	1.9
273.09659	9.9
279.10748	16.8
281.22516	2.4
294.70386	1.4
295.10175	4.0
307.93124	1.5
309.11752	16.9
327.22821	1.7
351.30447	2.6
391.33670	7.9
397.31094	2.4
409.34653	20.0
425.33780	3.3
437.34119	74.2
455.35114	25.1
473.35843	3.3
583.39594	4.3
601.41583	3.1
605.40363	3.1
621.09821	1.3
761.57056	1.8
766.54913	1.5
844.73468	1.5
863.27490	1.3
1059.85815	1.6
1092.39478	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	1095.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03919	0.3
79.05482	1.3
81.03399	1.5
83.01337	0.1
83.04947	0.8
85.02892	2.5
89.03899	11.9
89.51160	0.1
90.04204	0.1
91.05460	0.4
95.01299	0.5
95.04955	0.9
97.02888	0.7
99.00790	0.2
102.04656	0.4
103.05457	0.8
105.03368	0.3
105.04504	0.3
107.04938	2.3
109.02867	0.7
110.03647	0.4
111.00788	0.3
111.04429	0.6
113.02358	0.7
115.05385	0.8
116.06221	0.2
117.03355	9.7
117.07001	0.2
119.04894	0.3
121.02848	2.5
123.04410	0.6
124.60377	0.1
127.03860	0.6
128.06198	0.3
129.05464	0.4
129.07022	0.6
129.43541	0.1
130.04112	0.3
131.03378	0.4
131.04913	1.4
133.02802	0.6
133.06534	0.3
135.04390	19.6
137.02330	1.1
137.06030	0.2
139.03853	0.2
139.05441	0.4
141.01781	0.9
141.06924	0.3
143.04865	0.4
144.05673	0.5
145.02820	13.4
145.06488	0.6
146.03680	0.6
147.04379	2.4
148.05168	2.9
149.05942	1.0
150.03087	0.3
151.03841	0.1
153.01801	1.9
155.04881	0.5
155.06020	0.2
157.06471	0.8
159.03047	0.2
159.04361	0.5
161.05951	1.5
162.06723	0.2
163.03871	100.0
164.04182	0.6
165.01793	1.0
165.05469	0.1
167.04877	0.3
169.06461	0.3
171.04439	0.5
172.05176	0.8
173.05927	1.5
174.03073	0.4
175.03871	3.3
175.07436	0.2
176.04649	1.8
177.05450	1.1
181.04922	3.1
183.02843	0.5
183.04398	0.7
185.05930	1.4
186.05489	0.2
187.03807	0.6
189.05453	1.4
190.06244	0.9
191.03349	2.2
191.06979	0.2
193.04955	1.0
197.05939	0.3
199.03903	0.5
200.04616	2.0
201.05423	2.3
202.02576	1.5
203.03331	0.5
203.07060	0.7
205.04950	0.9
207.02753	0.3
211.03899	0.7
213.05402	2.0
215.03374	0.2
217.04939	1.5
218.05692	1.9
219.02905	0.1
219.06461	0.9
221.06039	0.2
223.07608	0.2
228.04131	0.3
229.04927	2.6
229.08568	0.1
231.02914	0.2
231.06448	1.5
239.03357	0.5
241.04884	1.4
245.04396	0.3
246.05191	18.7
247.05963	2.0
249.05385	0.2
251.07005	0.4
257.04388	3.1
258.05188	0.6
259.06000	2.6
273.07401	0.2
275.05420	2.1
277.04581	0.2
277.07086	1.6
283.09412	0.1
285.03870	4.0
287.05441	78.3
288.05716	1.0
291.08575	1.1
299.05460	0.3
303.04889	1.6
307.08118	2.1
309.07196	0.6
321.05957	2.4
325.09177	3.2
327.08505	0.5
329.06494	0.3
339.07034	14.9
340.07141	0.1
353.06244	0.2
397.08932	0.2
407.20773	0.1
433.11209	1.7
435.12750	0.1
445.07468	0.2
452.59125	0.1
463.08646	5.2
595.15851	0.1
609.13879	0.3
1103.69312	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	1097.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03401	2.9
83.04469	0.5
83.04964	10.9
85.02897	5.7
88.01087	0.3
91.05489	0.4
97.02869	5.0
98.22751	0.3
99.04422	1.0
105.03412	0.8
107.04945	0.5
109.02859	3.7
111.00721	0.6
111.04418	7.9
116.35984	0.3
117.03249	0.3
119.04893	0.5
120.82591	0.4
121.02842	4.5
123.04374	0.8
127.03901	3.9
129.05437	1.5
131.04875	1.1
133.02779	1.6
137.02327	4.8
141.06917	0.3
143.04987	0.5
145.02843	0.4
145.04912	1.0
147.04379	15.4
151.46970	0.3
153.01799	3.6
153.07050	0.4
159.04395	1.3
160.05176	5.8
161.02303	0.3
161.05928	1.4
163.03922	2.2
163.05049	0.4
165.01796	1.4
165.05478	1.0
165.06966	2.2
167.03413	0.4
167.08549	1.0
171.04314	0.5
173.02281	0.5
175.03896	1.0
176.06116	0.6
176.93385	0.3
177.01828	0.6
177.05548	0.6
177.06963	2.0
181.06456	3.7
183.02859	1.0
185.06000	0.7
187.03828	1.9
193.04889	0.4
193.06456	0.9
195.08057	2.6
197.05945	1.3
198.09222	0.3
199.07440	0.5
203.03366	1.1
205.05000	0.5
205.06439	13.2
209.07750	0.3
211.07411	1.1
213.05402	1.6
221.05927	22.0
222.06316	0.5
223.07500	33.1
224.07903	0.7
225.05368	0.5
227.06996	0.4
229.04865	0.3
231.02809	3.3
231.06378	1.0
233.05925	12.1
234.06636	1.5
237.05286	0.5
237.07608	0.6
239.07039	1.6
241.04897	0.9
241.08575	0.5
243.06339	0.5
249.05423	22.5
250.06015	1.5
251.06985	38.1
252.07362	1.0
253.04813	0.6
255.06360	0.5
258.05225	0.9
259.05939	0.4
266.05728	0.6
267.06516	5.5
268.07019	0.4
269.08035	19.5
271.05878	0.5
273.09814	0.4
277.04880	12.7
283.05731	0.5
285.07538	2.6
287.05444	100.0
288.05792	2.1
294.05130	0.4
295.05957	97.8
296.06293	2.4
299.05280	1.6
301.07001	0.4
307.06174	0.4
313.06995	67.4
314.07339	1.3
319.08139	1.1
321.03879	0.5
323.05423	2.4
329.06628	1.1
339.04926	0.6
341.06485	11.6
342.06857	0.4
345.07312	0.6
347.07651	0.7
353.06305	0.8
353.28445	0.4
355.07935	0.5
357.76035	0.4
363.08606	0.8
373.59113	0.4
379.07990	0.6
387.08850	0.5
397.09009	1.0
405.09644	3.3
415.10159	0.7
421.09027	1.4
423.10489	1.1
433.10809	1.5
439.10229	1.5
449.84662	0.4
451.10199	0.4
457.11221	1.9
467.09369	0.4
485.10675	2.5
503.11615	0.5
595.14307	0.5
880.41791	0.3
882.25177	0.4
933.86737	0.4
995.06635	0.4
1076.37097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03405	1.4
83.01322	0.1
83.04966	6.0
85.02401	0.2
85.02892	3.7
91.05474	0.2
95.01283	0.4
95.04935	0.3
97.02874	2.1
99.04431	0.4
103.03916	0.1
103.05426	0.2
105.03371	0.2
107.04922	0.3
109.02862	1.5
111.00809	0.6
111.04428	3.4
113.02344	0.7
115.05387	0.2
119.04897	0.2
121.02846	3.2
121.03814	0.2
123.04371	0.3
127.03896	2.0
129.05461	1.1
131.03400	0.6
131.04909	0.5
133.02826	0.4
135.04398	0.2
137.02321	2.7
137.03348	0.1
141.01785	0.5
141.06982	0.2
145.04915	0.5
145.06436	0.3
147.04387	8.5
152.06183	0.3
153.01804	3.0
153.06897	0.2
157.06454	0.4
159.02867	0.5
159.04369	0.5
160.05180	2.5
161.05981	0.7
163.03891	0.4
165.01808	1.5
165.05574	0.2
165.06970	1.0
167.08493	0.4
169.06424	0.3
171.02966	0.2
171.04416	0.4
175.03964	0.9
175.55344	0.1
176.06104	0.7
177.05484	0.2
177.06956	1.3
181.06453	2.0
183.02893	0.7
185.05965	0.6
187.03796	0.7
189.05481	0.2
193.06473	0.6
195.08040	1.0
197.05923	0.4
199.03899	0.2
199.07477	0.3
203.03349	0.5
203.07062	0.3
205.06448	6.9
206.07100	0.1
211.07520	0.5
213.05432	1.4
219.06589	0.1
221.05940	13.0
222.06358	0.3
223.07498	17.4
224.07867	0.2
225.05292	0.2
229.04890	0.2
231.02846	1.9
231.06351	0.8
233.05927	6.3
234.06683	0.8
237.05382	0.3
239.07001	0.8
241.04858	1.1
241.08711	0.2
243.06494	0.3
245.04269	0.2
249.05423	12.4
250.06094	0.7
251.06990	18.4
252.07315	0.3
255.08582	0.3
258.05182	1.1
259.05969	0.4
266.05573	0.2
267.06467	2.8
268.07281	0.3
269.08035	9.5
271.05841	0.4
273.07306	0.2
277.04904	6.2
279.06467	0.3
281.04340	0.2
283.05777	0.2
285.07513	1.3
287.05444	100.0
288.05807	1.4
294.05026	0.3
295.05954	45.8
296.06287	0.5
297.07422	0.2
299.05411	0.7
301.07169	0.4
305.04608	0.2
305.07751	0.2
307.06042	0.2
311.05511	0.3
312.06210	0.2
313.07001	33.1
314.07410	0.4
319.08160	0.6
321.03891	0.1
323.05606	0.7
329.06589	0.5
337.06622	0.2
339.04901	0.4
341.06494	2.9
345.07404	0.3
347.07779	0.6
353.06421	0.6
363.08597	0.3
379.08157	0.2
387.08719	0.4
397.09024	0.5
403.08478	0.2
405.09586	1.9
415.10236	0.3
421.09103	0.5
423.10687	0.3
433.11166	0.8
439.10245	0.9
451.10416	0.2
457.11334	0.7
463.08612	1.9
467.09473	0.3
485.10437	1.1
503.11935	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	112.0508
Annotation	cytosine
Peak:m/z	Relative Intensity
52.01894	0.5
55.01864	0.4
55.93511	0.3
56.05021	0.8
56.96283	0.3
56.96558	4.6
57.03416	0.5
67.01832	0.4
67.02971	1.2
67.05498	1.7
68.01376	1.4
68.05019	5.6
69.03418	6.9
69.04542	9.7
69.07053	0.6
70.02939	0.7
70.06580	9.0
70.94251	0.6
70.95855	1.0
71.02469	0.3
71.06902	0.3
71.44254	0.2
71.94088	4.1
71.95251	1.9
74.77341	0.2
74.97606	0.2
75.01031	0.7
79.01836	0.2
79.86216	0.2
82.00029	0.2
82.06558	0.3
83.05601	0.4
83.06090	5.4
84.01554	3.1
84.04492	0.7
84.08131	3.1
85.02891	0.2
89.95126	0.4
93.02061	1.2
94.04037	4.1
94.06546	0.6
95.02439	27.9
95.06075	62.5
96.02754	0.5
96.04484	0.7
96.05858	0.2
96.06381	1.0
112.03864	2.5
112.05074	100.0
112.07591	13.4
112.08712	7.1
112.11208	1.4
113.02348	2.4
113.03482	0.6
113.04745	0.3
113.05412	1.9
113.07102	1.0
113.07809	0.2
131.00186	0.4
131.05527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0872
Annotation	histamine
Peak:m/z	Relative Intensity
54.03455	0.1
55.14559	0.1
56.05021	0.2
56.96560	0.8
60.25743	0.1
67.04228	0.5
67.05489	0.2
68.01367	0.1
68.05017	8.0
69.03423	1.7
69.04556	1.2
69.05332	0.1
69.07033	0.1
69.43465	0.4
70.02937	0.2
70.06571	0.7
71.94099	0.4
71.95251	0.4
82.05302	0.3
83.06091	8.9
84.06424	0.1
84.08130	0.5
86.06059	0.1
94.04037	0.5
95.02449	3.7
95.06078	100.0
96.00823	0.1
96.05822	0.2
96.06392	1.8
112.03867	0.4
112.05076	13.1
112.07581	2.6
112.08708	11.2
112.10371	0.1
113.02349	0.3
113.03475	0.3
113.05372	0.2
113.07118	0.2
113.09062	0.2
116.33511	0.1
120.77356	0.1
130.04089	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	1122.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03411	1.9
85.02887	5.4
87.03906	0.3
87.04441	3.4
87.04937	0.3
97.02871	12.5
99.04429	0.8
109.02852	2.7
115.03903	100.0
116.04253	0.3
127.03899	4.7
133.04936	12.1
145.04935	2.5
151.03807	0.3
161.23987	0.2
175.05917	0.4
187.05984	0.9
199.05879	0.2
223.06038	0.3
241.06975	1.7
259.08081	16.3
277.09122	37.9
278.09464	0.4
295.10254	0.2
355.10239	0.6
367.36526	0.2
373.11374	1.7
385.11099	0.3
391.12274	10.0
421.13339	0.4
570.20270	1.4
759.90363	0.2
885.71783	0.2
921.92969	0.3
936.30182	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	1123.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03411	3.0
83.04971	12.2
85.02890	4.5
91.05476	0.7
95.04979	0.9
97.02888	3.4
99.04501	0.5
105.07027	0.5
109.02879	3.1
111.04425	14.7
113.05987	0.7
115.05460	0.5
121.02849	3.1
127.03894	3.4
129.05461	9.7
131.04913	0.9
137.02327	3.2
137.05977	0.6
143.04904	0.5
145.04959	0.9
147.04393	11.9
153.01822	1.4
153.05478	0.6
159.04384	1.0
160.05150	5.3
161.05966	1.5
163.03842	1.3
163.07547	0.5
165.07028	1.6
167.08566	0.8
169.06473	0.5
171.06546	0.7
175.04028	0.6
176.06201	1.3
177.06996	1.7
181.06461	4.6
183.08022	0.5
187.03877	1.5
189.07561	5.5
193.04880	0.7
193.06508	1.2
195.08035	2.4
197.05952	0.5
199.07408	0.5
203.03387	0.5
205.04945	0.5
205.06465	12.8
211.07536	0.9
213.05495	0.6
221.05952	21.7
221.07791	0.7
223.07513	28.8
225.05296	0.5
231.02806	3.6
233.05972	10.5
234.06673	1.6
239.06987	1.9
239.09171	0.8
249.05435	21.6
250.06157	1.3
251.07002	37.1
255.08714	0.5
267.06512	5.6
269.08047	19.3
271.05719	0.6
277.04935	12.3
279.06607	0.6
283.06094	0.5
285.07507	2.2
287.05466	34.7
295.05978	100.0
296.06219	1.5
299.05429	6.1
300.06323	0.6
301.06970	0.8
311.05341	1.9
313.07013	69.0
319.08127	1.0
323.05472	2.4
323.08914	0.6
329.06509	5.4
337.07062	1.0
339.04660	0.8
341.06497	10.1
347.07748	1.0
351.08395	0.7
353.06586	1.5
359.08429	0.8
363.08655	0.6
379.07910	2.5
387.08368	0.9
391.08191	0.7
397.09128	5.3
403.08044	0.7
405.09711	4.5
415.09955	1.6
421.09052	1.4
423.10614	1.0
433.11301	2.2
439.10098	2.0
451.10376	0.5
457.11438	3.9
467.09991	0.6
475.12405	6.8
485.10419	1.5
489.11612	0.7
567.14807	0.7
595.13544	0.5
645.02466	0.5
784.09064	0.5
801.85986	0.6
899.71021	0.5
1123.39490	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	1123.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
80.94036	0.3
81.03404	2.7
83.04967	13.0
85.02479	0.3
85.02894	3.8
91.05420	0.4
95.04936	0.4
97.02872	4.9
98.22730	0.5
99.04449	1.2
99.61012	0.3
103.05473	0.6
107.04913	0.4
109.02853	3.0
111.00768	0.4
111.04427	11.6
115.05408	0.4
115.94197	0.2
119.04913	0.4
121.02840	3.7
123.04399	0.6
127.03888	3.1
129.04555	0.5
129.05460	6.8
131.04904	1.1
135.04431	0.3
137.02330	4.8
137.03355	0.5
137.05923	0.4
139.03766	0.3
145.04942	1.0
145.06406	0.3
147.04384	21.2
152.06209	0.5
153.01796	0.8
153.05493	0.4
153.06900	0.2
157.06448	0.3
159.04399	1.2
160.05164	5.8
161.05920	1.0
163.03880	0.8
165.01828	0.7
165.05440	1.0
165.06978	1.6
167.08522	0.9
169.06473	0.3
173.06046	0.4
175.03848	1.2
175.05278	0.5
175.07449	0.3
176.06079	1.2
177.06946	2.3
181.06436	4.7
183.02771	0.4
185.05878	0.4
187.03809	1.7
189.07529	3.0
193.04906	0.4
193.06509	1.0
195.08032	2.0
197.05978	0.7
199.07611	0.5
201.05476	0.3
203.03336	1.1
203.07013	0.3
205.04976	0.6
205.06453	14.0
211.07504	1.0
213.05402	0.8
215.03380	0.3
221.05940	22.1
222.06358	0.5
223.07501	34.4
224.07823	0.3
225.05327	0.4
231.02827	4.4
231.06306	0.5
233.05942	12.5
234.06682	1.8
237.05408	0.6
239.06982	1.8
239.09085	0.4
241.04865	0.5
241.08572	0.4
243.06427	0.4
245.07901	0.3
249.05437	24.4
250.06134	1.4
251.06992	41.5
252.07373	0.8
253.04849	0.5
255.08496	0.7
257.04266	0.5
258.05188	0.5
259.05920	0.3
265.05002	0.5
266.05789	0.3
267.03665	0.4
267.06479	6.4
268.07138	0.4
269.08038	20.7
271.05966	0.7
273.07523	1.1
277.04907	12.9
279.06491	0.7
281.04309	0.3
283.06000	0.7
285.07410	2.4
286.04669	0.6
287.05447	28.4
288.05850	0.5
293.04385	0.6
295.05960	100.0
296.06332	0.9
299.05429	6.1
300.06079	0.7
301.07047	1.5
305.04367	0.4
307.06039	0.5
311.05408	2.2
313.07001	74.5
314.07440	0.5
315.09958	0.3
319.08157	2.5
323.05453	2.7
325.07019	0.9
329.06479	4.7
333.07669	0.4
337.06961	0.7
339.04886	0.9
341.06509	11.5
345.07401	0.5
347.07828	2.4
351.08563	0.8
353.06519	1.2
355.08102	0.6
359.08585	0.5
363.08667	0.5
365.06445	0.3
377.09958	0.3
379.08011	3.3
387.08530	0.5
391.08057	0.9
397.09100	7.1
403.08011	0.4
405.09479	3.2
409.09024	1.0
415.10397	1.3
421.09122	1.8
423.10794	0.9
433.10886	1.0
439.10324	2.1
451.10278	0.7
457.11255	4.0
469.11209	0.5
475.05603	0.5
475.12314	8.1
485.10745	3.8
489.11523	0.6
503.11694	0.4
525.14233	0.5
917.17523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
52.72372	1.1
53.76601	1.1
55.05510	6.0
57.03421	3.0
57.07071	85.1
65.03932	11.2
65.36237	1.0
67.05497	100.0
68.05016	2.8
69.03428	2.3
69.05325	1.1
69.07052	4.6
71.04987	19.3
71.95248	1.5
72.93772	3.4
79.05500	1.8
85.06535	27.7
86.06070	2.2
90.94794	1.6
95.04964	28.1
95.06122	1.2
95.08592	1.6
96.05827	2.2
96.06405	12.0
96.08079	1.8
113.06000	20.7
114.05552	2.1
114.09157	17.2
114.35337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1140.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03404	2.8
85.02885	4.9
87.04452	4.0
97.02876	12.0
99.04420	1.2
109.02853	3.4
115.03909	100.0
116.04208	0.6
127.03896	5.2
127.04752	0.5
131.09012	0.3
133.04945	11.9
145.04929	2.3
162.86041	0.3
165.96455	0.3
169.05026	0.3
187.06001	1.2
211.06075	0.3
217.07156	0.5
223.06012	0.8
241.07002	2.6
257.75470	0.3
259.08090	18.1
277.09140	33.6
298.19867	0.3
355.10284	1.1
372.27200	0.3
372.94495	0.3
373.11209	7.5
385.11429	0.5
391.12283	12.7
408.65213	0.3
409.13193	0.6
421.13193	0.8
570.20129	1.1
571.17804	0.3
588.21130	1.1
650.51703	0.3
656.78198	0.4
929.67218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0392
Annotation	2-Hydroxy-2,4-pentadienoate
Peak:m/z	Relative Intensity
53.03948	0.2
54.43861	0.2
68.84261	0.2
69.03419	100.0
69.91978	0.6
70.03751	1.8
70.06592	0.7
73.02911	1.4
79.53860	0.2
81.33743	0.2
85.02894	0.2
95.40434	0.2
97.02879	18.6
98.03223	0.4
115.03901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0391
Annotation	Siphonodin
Peak:m/z	Relative Intensity
50.68802	0.9
51.84812	0.9
53.03946	1.4
55.01868	32.9
55.02138	1.7
57.03440	5.8
59.04998	6.7
69.03423	100.0
69.07057	1.0
70.03747	2.1
70.06586	23.8
71.45515	1.2
73.02907	6.6
74.93829	2.6
83.01357	1.0
83.72911	0.9
87.04463	9.1
89.03912	3.3
92.94913	1.2
97.02889	15.4
115.03933	13.6
115.05516	1.0
115.09552	1.0
116.04281	1.3
116.04970	6.7
116.07071	2.7
119.56920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.2
55.01833	0.2
60.24543	0.2
65.03934	1.4
69.03066	0.2
69.03421	4.7
69.17284	1.3
70.06583	14.8
70.10682	0.2
72.35874	0.2
89.03901	3.9
90.04280	0.2
95.88050	0.2
97.02892	0.9
115.05437	100.0
116.05756	3.5
116.07044	1.3
131.29869	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97757	0.3
55.01867	0.4
55.05503	0.5
57.03419	0.4
63.02379	0.4
65.03941	1.5
65.32925	0.3
68.47054	0.3
69.03425	18.5
69.07065	0.5
70.03761	0.4
70.06587	32.4
72.43489	0.3
73.02907	0.7
73.06527	0.4
74.93828	0.6
80.05801	0.4
84.59360	0.4
86.36942	0.3
88.07590	0.3
89.03913	4.8
92.94855	0.6
97.02887	3.8
114.04597	0.3
115.05447	100.0
115.09473	2.7
116.04996	0.6
116.05780	3.6
116.07051	2.6
116.13668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97757	0.3
55.01867	0.4
55.05503	0.5
57.03419	0.4
63.02379	0.4
65.03941	1.5
65.32925	0.3
68.47054	0.3
69.03425	18.5
69.07065	0.5
70.03761	0.4
70.06587	32.4
72.43489	0.3
73.02907	0.7
73.06527	0.4
74.93828	0.6
80.05801	0.4
84.59360	0.4
86.36942	0.3
88.07590	0.3
89.03913	4.8
92.94855	0.6
97.02887	3.8
114.04597	0.3
115.05447	100.0
115.09473	2.7
116.04996	0.6
116.05780	3.6
116.07051	2.6
116.13668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1154.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03403	5.9
81.07047	0.1
83.01317	0.1
83.04954	0.2
85.02886	2.8
85.06530	2.7
88.30522	0.1
91.05482	0.2
93.03399	0.3
94.04153	0.5
95.04951	4.1
97.02873	4.5
99.04440	0.9
103.05470	0.2
103.07561	0.2
103.25409	0.1
105.04495	0.3
107.04916	0.1
108.04474	0.2
109.02861	4.4
109.06531	0.1
111.04425	3.3
113.05983	2.3
113.06722	0.2
115.05426	0.7
117.07007	0.2
119.04932	0.1
121.02846	100.0
121.03830	4.0
122.03059	0.2
122.03629	0.5
127.03896	3.9
127.07532	8.3
128.06229	0.3
129.06996	0.5
131.04916	0.3
131.07014	3.6
135.04391	0.1
137.04422	0.1
137.05954	8.8
139.03874	9.9
140.88812	0.1
141.05423	0.4
143.04878	0.7
144.05664	0.2
145.04938	1.3
145.08569	49.8
146.08885	0.2
149.05983	0.1
151.03888	0.2
151.07500	0.3
153.05437	0.2
155.07007	1.0
157.06442	0.5
160.05165	1.5
161.05937	0.3
163.03864	0.2
163.07549	0.2
165.05461	0.1
169.04974	0.1
172.05225	0.3
173.08061	1.2
174.06717	0.2
175.07516	6.1
176.07996	0.1
177.05452	0.1
181.04968	0.2
185.08051	0.2
187.05937	0.3
187.07501	3.3
189.09059	0.9
191.09113	7.4
193.05042	0.1
199.07559	0.3
201.09048	0.3
203.08548	0.2
205.06888	0.2
205.08566	1.1
206.04594	0.2
211.07523	0.2
217.08629	0.6
218.07277	0.1
219.08076	0.2
219.10147	0.3
220.08763	0.1
220.54536	0.1
223.05911	0.2
231.08032	0.3
235.05869	0.1
235.09628	1.7
237.09029	0.1
239.06927	0.2
245.10051	0.1
247.05891	1.9
248.08298	0.4
251.10814	0.1
253.06871	0.2
257.10220	0.7
259.07407	0.1
263.10611	0.4
265.07007	8.9
271.09753	0.7
275.11194	0.6
277.08566	0.1
279.10117	0.4
283.08066	16.4
284.08554	0.2
291.10159	1.3
293.09943	0.6
296.10400	0.1
299.07718	0.2
299.11102	1.5
308.10458	0.2
311.12796	0.6
313.14178	0.1
317.12222	2.3
323.12708	1.4
325.08606	0.2
325.14346	0.9
335.13306	4.9
341.13751	3.7
357.13239	0.5
359.13412	0.3
373.09149	0.1
380.22473	0.1
383.14285	0.1
391.10339	0.2
409.11298	0.2
425.14456	0.3
427.12274	0.3
445.13290	1.5
455.15497	0.9
467.17953	0.1
500.70209	0.1
563.17114	0.4
581.18298	0.4
599.19623	0.7
617.20575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03400	4.6
83.04944	0.7
83.85911	0.4
85.02918	0.4
89.03892	4.4
91.05452	2.0
91.69204	0.4
93.03397	2.0
95.04946	4.8
98.04150	0.4
99.04440	0.6
99.10492	0.4
103.05452	1.5
104.11767	0.4
105.03350	1.9
105.04473	0.7
107.04944	6.5
109.02858	3.2
111.00783	10.7
111.04424	8.7
115.05447	1.9
117.03327	2.2
117.06959	0.8
119.04904	2.2
119.92567	0.4
121.02847	2.7
123.04406	66.4
127.03893	75.2
128.04236	0.5
128.06163	0.4
129.07019	0.8
131.04881	3.4
133.02777	0.5
133.06499	0.7
135.04388	65.1
137.02321	4.7
137.03354	0.6
137.05968	1.3
139.03870	41.5
141.06952	1.3
143.04907	1.4
145.02820	1.1
145.06448	1.7
147.04378	7.8
149.02313	9.1
149.05945	2.6
150.03073	0.9
151.03876	15.0
153.01825	1.0
153.05460	1.0
153.06956	0.9
155.03719	0.4
155.04861	2.2
157.06461	1.3
159.04414	4.8
161.02277	1.0
161.05940	4.9
163.03871	63.5
164.04410	0.9
165.01788	1.1
165.05447	5.2
167.03404	4.5
169.04942	2.0
169.06448	2.1
171.04430	0.9
173.05934	4.7
175.03851	3.9
175.07524	0.8
176.04680	0.4
177.05440	7.7
179.03366	9.8
179.06889	0.5
181.04903	2.2
181.06395	1.0
183.04379	3.1
185.05882	2.4
187.03836	8.7
187.05316	0.6
187.07451	1.2
189.01772	0.8
189.05429	3.7
190.02548	0.7
191.03349	13.9
191.06975	1.0
193.04886	1.4
197.05919	4.8
199.03867	1.1
200.04539	0.6
201.05420	10.6
203.03354	16.4
203.06876	2.4
205.04962	3.7
207.02873	1.1
207.06474	1.1
209.05991	0.9
211.03847	0.9
213.05444	4.4
215.03394	4.7
215.06857	2.8
216.04103	0.7
217.04884	4.1
219.02826	0.5
219.06531	1.8
221.04271	0.5
223.02319	2.7
225.05420	2.7
227.03346	1.3
227.06897	0.9
229.04919	14.7
231.02940	1.0
231.06418	3.3
233.04352	6.2
235.02229	0.8
237.05394	1.4
239.03368	0.6
239.06999	0.8
241.04887	3.6
243.02826	1.2
243.06430	5.4
244.03853	0.9
245.04413	100.0
246.04872	1.2
247.05963	59.6
248.06314	1.2
251.05380	0.9
253.04941	3.0
254.06027	0.6
255.06493	2.6
257.04401	18.5
258.05112	2.1
259.05972	9.3
261.07367	2.7
263.05258	2.0
265.04898	1.2
267.06491	1.2
269.04431	5.9
270.04926	0.6
271.05945	31.5
272.06308	0.7
273.03848	0.8
273.07523	1.5
274.04617	5.8
275.05429	29.7
277.04922	0.6
279.06522	0.8
281.04401	2.7
281.07452	0.5
283.03027	0.8
283.05969	10.6
285.03906	2.9
285.07526	1.2
286.04553	1.3
287.02841	0.4
287.05414	30.7
289.07007	42.2
291.08594	18.2
293.04398	0.8
295.06021	3.3
297.03864	3.4
297.07236	1.0
299.05396	6.8
301.06989	10.9
303.05057	1.6
303.08600	1.8
307.05930	1.3
309.03827	2.1
309.07297	0.8
311.05371	2.9
313.07028	2.5
315.05148	0.8
317.07855	1.5
319.05969	1.1
321.03952	0.7
321.07471	0.9
323.05350	3.2
325.06940	0.7
327.05188	0.7
329.06421	0.7
331.07956	1.9
333.07535	1.3
335.05298	0.9
335.08994	0.8
337.06760	1.0
339.04974	0.6
339.08685	0.8
345.07428	1.3
349.06927	0.7
351.04819	1.6
361.07016	3.8
363.04739	1.1
363.08545	1.6
365.06326	2.4
367.07907	0.6
373.06912	1.1
375.04477	0.6
377.06406	2.2
379.08072	5.4
381.09668	1.1
383.07571	2.0
387.08459	0.6
389.06467	4.6
391.08157	4.2
393.05728	3.7
395.07498	2.4
396.08499	1.2
397.09091	12.6
401.06326	1.5
403.07993	1.0
405.05545	2.4
407.07529	33.6
409.09091	29.7
410.09280	0.8
411.10602	3.0
417.05731	0.6
419.07477	7.5
421.09174	2.8
423.10925	0.5
425.08603	16.7
427.04340	0.9
427.10184	17.5
431.07327	1.8
433.09305	3.6
435.10809	0.8
437.08646	13.5
439.10321	2.0
441.05875	0.6
449.08563	4.8
451.10196	7.7
453.11514	1.7
511.06470	0.6
517.11261	3.4
523.06329	0.6
527.09564	2.1
529.11261	0.7
531.12323	0.5
535.12207	3.0
541.11292	3.4
543.08453	0.9
545.10779	2.7
553.10461	0.6
557.10846	1.1
559.12183	4.4
561.13409	0.9
569.10883	0.6
571.11902	1.5
577.13324	9.5
579.14856	15.3
589.13318	0.9
677.12299	1.2
679.14728	0.9
695.13379	1.7
697.15161	4.6
699.17151	0.6
715.16132	2.2
815.16193	0.7
833.16052	1.1
867.19843	0.6
985.21082	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.2913
Annotation	Stachysetin
Peak:m/z	Relative Intensity
81.02946	0.1
81.03399	1.1
83.01305	0.1
83.04945	0.0
85.02396	0.1
85.02887	1.5
85.92069	0.0
87.04430	0.1
91.05457	1.0
95.04930	0.2
97.02869	1.5
99.00819	0.3
99.04433	0.3
101.02347	0.1
103.03906	0.1
107.04919	0.1
109.02848	0.9
111.00767	0.1
111.04391	0.1
113.02331	0.1
115.03853	0.0
115.05448	0.1
119.04920	2.4
121.02845	1.5
121.03592	0.0
121.03764	0.1
123.04393	0.1
125.02325	0.1
127.03889	1.9
129.01785	0.2
129.06900	0.0
131.04895	0.2
141.01761	0.1
141.06938	0.1
142.19508	0.0
145.02824	2.4
145.04865	0.6
147.04332	0.1
149.02299	0.1
151.03848	0.2
153.01793	6.7
157.06401	0.1
161.05946	0.0
163.03871	0.7
165.01778	0.1
167.03412	0.1
167.08470	0.1
169.06458	0.2
171.02852	1.7
173.05881	0.1
177.01843	0.1
179.03355	0.0
183.02846	0.1
185.05914	0.1
187.03903	0.3
188.54546	0.0
189.05516	0.1
194.07289	0.1
195.08113	0.1
197.04381	0.2
197.06012	0.1
201.03807	0.1
202.06296	0.1
203.07010	0.6
205.01282	0.2
207.02829	0.1
211.03902	0.1
212.08382	0.2
213.09041	0.9
215.07060	0.1
219.08072	0.0
225.05470	0.8
229.04900	0.6
237.09154	0.1
242.05809	0.1
243.04524	0.5
243.06757	0.2
247.06046	0.1
253.04842	0.2
254.05725	0.1
255.06395	0.1
261.06149	0.1
265.08508	0.2
267.06378	0.3
270.05280	0.1
271.05939	100.0
271.71222	0.0
272.06238	0.8
279.06479	0.1
281.08008	0.1
283.05908	0.9
283.09091	0.1
284.06766	0.3
286.04584	0.1
293.08026	0.2
295.05972	1.2
297.03885	0.4
297.07483	0.2
299.05182	0.0
305.08051	0.1
307.06009	0.2
309.03815	0.2
309.07578	0.3
311.05405	0.1
311.08853	0.1
313.07001	2.9
321.07477	0.1
323.05460	2.2
323.08972	0.2
325.07028	0.2
333.07489	0.2
337.06967	0.6
341.06589	0.1
349.06961	0.1
351.04907	3.7
351.08356	0.2
355.08072	0.2
361.06998	0.5
367.07996	0.1
369.06268	0.2
379.08020	1.9
387.09219	0.3
397.09055	0.6
403.07980	0.1
405.10172	0.1
415.10178	0.4
421.08945	0.1
433.11374	0.2
433.67484	0.0
455.13354	0.1
477.08124	0.3
487.10245	0.1
495.09158	0.9
513.10181	10.1
514.10034	0.1
531.11560	0.1
603.11267	0.1
621.12183	0.2
639.13287	0.3
657.14301	0.6
675.15222	0.6
689.16394	0.1
707.17804	0.2
725.06335	0.1
725.18475	0.7
743.18817	0.1
749.19336	0.1
785.20343	0.1
815.18811	0.2
833.21069	0.3
851.21222	0.2
869.22174	0.5
887.23669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85203	0.3
51.02362	0.4
53.03934	0.4
55.05497	0.3
56.05037	0.6
56.96565	3.4
57.03440	0.4
57.93552	0.7
61.11052	0.3
63.02363	1.2
65.03926	1.7
68.05022	0.5
69.03410	1.1
70.03758	3.2
70.06585	100.0
70.58518	0.5
71.04991	1.3
71.06905	1.5
72.04528	0.3
72.08164	0.4
73.89672	0.3
74.02436	2.2
74.06074	0.7
74.93155	0.9
74.93824	5.1
79.01863	0.5
79.05497	0.4
88.03992	0.4
88.07596	0.4
89.03909	35.7
90.03421	1.2
90.04241	0.8
92.94859	2.9
98.02387	0.3
98.03217	1.0
98.06042	1.0
98.97569	2.4
110.95892	0.4
115.96422	0.8
116.04970	66.7
116.07082	8.9
116.10766	0.5
116.97237	0.5
116.98597	2.9
117.05290	2.0
133.97433	0.3
134.05995	0.7
134.99646	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	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
53.23225	0.1
56.05008	0.1
57.38692	0.1
68.05029	0.4
69.03421	0.6
69.74445	0.5
70.03760	1.6
70.06581	100.0
71.06908	1.5
71.07232	0.2
85.93973	0.1
98.03218	0.4
98.07204	0.2
114.34889	0.1
116.07072	8.2
116.10690	0.2
117.07435	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	116.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53582	0.1
54.41237	0.1
56.65158	0.1
68.05025	0.5
69.03414	0.8
70.03757	2.1
70.06582	100.0
70.40324	0.2
70.40675	0.2
71.06293	0.2
71.06909	1.8
74.93822	0.2
77.17190	0.1
98.03210	0.4
98.06078	0.2
98.07169	0.3
116.07072	8.1
117.07427	0.2
125.71687	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	116.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	73.7
57.03408	9.7
57.54274	4.6
68.31979	4.9
70.73722	10.8
71.06911	11.8
71.95239	6.0
72.04488	15.8
72.08129	6.9
72.52781	4.8
74.09705	7.0
76.92903	6.5
76.93349	24.4
94.94378	8.0
98.97570	88.1
115.05408	10.5
116.98602	100.0
117.06995	6.3
118.06500	6.7
134.99632	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
51.15781	0.6
53.03947	0.9
56.43200	0.6
69.46913	3.3
70.06589	0.9
71.06902	2.0
72.08151	1.2
89.03912	1.1
91.05472	33.0
92.05818	1.3
95.04980	4.1
98.23393	1.0
101.80189	0.7
105.04533	1.3
115.05443	70.0
116.05725	1.4
117.07005	100.0
118.06510	3.0
118.07359	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	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.01592	1.7
51.02373	3.9
53.03940	17.7
55.78209	0.9
58.06586	2.3
59.07367	1.2
60.98644	1.0
61.42089	1.0
65.03915	1.1
72.08140	4.1
77.03925	15.1
79.05463	1.4
79.23779	1.0
81.03415	2.2
91.05470	18.9
95.04955	100.0
96.05301	2.5
98.99851	1.0
103.61927	1.1
104.06268	1.6
105.04501	44.1
116.05782	3.8
117.07020	4.1
117.78167	0.9
118.06534	64.5
118.07314	4.7
118.08593	5.0
118.12280	1.2
118.35870	1.0
119.06863	1.6
119.08552	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	118.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	5.1
53.03944	19.0
55.05488	2.7
55.42935	1.9
58.06586	8.0
59.07374	5.2
62.19926	1.4
69.78213	4.0
69.78574	3.9
72.08154	10.4
76.92863	4.1
77.03904	10.2
77.37977	1.8
91.05466	35.5
95.04953	100.0
96.05253	3.4
96.69969	1.7
97.22202	1.7
103.05415	3.2
104.06232	2.8
105.04498	37.1
115.05496	2.2
116.05707	2.5
117.07011	8.8
118.06531	63.8
118.07288	4.0
118.08631	15.7
118.12267	2.7
119.06052	4.7
119.06835	3.4
119.08559	31.4
120.65118	1.8
127.38260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
50.73479	0.4
51.02350	0.6
53.03942	1.9
55.05492	0.5
58.06573	1.1
59.07363	0.4
65.03922	1.5
65.88279	0.4
70.06604	0.5
72.04499	0.8
72.08153	2.9
76.93342	0.6
77.03511	0.4
77.03915	1.8
81.24149	0.3
82.50665	0.4
83.39397	0.4
83.71935	0.4
91.05470	49.8
92.05804	0.9
94.94408	0.4
95.04335	0.6
95.04955	12.1
105.04511	4.7
117.05744	4.1
117.07013	1.3
118.06530	100.0
118.08603	2.0
119.04920	1.9
119.06112	0.8
119.06826	2.2
119.08543	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	118.0653
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03930	1.5
55.05486	2.0
56.48180	0.7
56.96373	0.5
56.96563	5.9
57.03434	1.2
58.06591	6.3
59.04987	0.7
59.07373	5.0
59.93097	1.1
61.69662	0.8
62.02433	1.6
65.03931	2.1
68.02647	0.8
69.27486	3.3
69.27901	1.4
72.01853	0.7
72.08148	10.2
76.92937	0.7
76.93341	4.1
77.03920	1.0
77.57041	0.7
80.95282	0.7
83.04968	1.0
91.05467	45.2
92.05778	0.9
94.94393	2.2
95.04953	8.0
104.25998	0.7
105.04502	3.1
111.04441	3.3
117.05721	4.4
117.96004	0.8
118.06526	100.0
118.08627	14.3
119.06079	1.9
119.06866	2.6
119.08548	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.01582	1.9
51.02372	4.4
53.03942	16.0
58.06591	3.0
59.07378	2.2
70.07257	1.9
72.08142	2.8
77.03918	11.7
81.03407	1.5
83.17673	0.9
91.04935	1.5
91.05471	19.5
92.05782	0.9
95.04955	100.0
95.20035	0.9
96.05283	1.6
103.05471	1.5
104.06245	2.4
105.04498	41.6
111.75430	0.8
116.05776	4.0
117.07002	3.8
118.06532	58.4
118.07318	5.0
118.08644	5.4
118.12263	1.4
119.06097	1.3
119.06876	2.0
119.08553	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0864
Annotation	Betaine
Peak:m/z	Relative Intensity
56.04996	0.2
58.06591	35.2
59.04981	0.2
59.07374	34.5
60.07701	0.5
62.80182	0.2
66.02269	0.2
66.29765	0.2
69.59900	0.2
70.06580	0.9
72.07259	0.2
72.08135	0.8
72.83750	0.2
80.79556	0.2
102.05479	0.2
102.09383	0.2
118.08637	100.0
119.08974	2.6
121.82063	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	118.0864
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03937	1.2
55.05507	21.8
56.05027	0.8
56.96561	1.2
57.03421	0.5
57.05806	1.1
57.90127	0.4
58.06593	29.7
59.04985	1.0
59.07376	26.2
60.07704	0.5
65.03919	0.4
67.10941	0.4
69.03413	0.5
70.06584	3.0
70.66171	0.4
72.08146	100.0
73.08484	2.4
76.07640	0.6
77.03931	0.5
82.06660	0.4
91.05472	2.1
95.04959	2.8
105.04508	1.3
118.06520	1.6
118.08640	80.7
119.08986	1.5
126.35836	0.4
139.08092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84936	4.1
67.77801	4.6
69.88447	15.0
71.36229	4.5
84.07079	3.8
91.05448	8.6
92.39674	5.0
98.22762	6.4
100.02467	4.9
101.00883	26.8
119.01910	100.0
137.02928	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38700	2.9
69.56284	10.7
91.05457	24.6
98.22745	6.9
101.00861	17.2
119.01900	100.0
119.06037	7.1
119.08611	6.5
120.01993	6.0
120.04448	4.4
120.05602	9.0
120.08089	5.2
137.02954	31.1
138.03075	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	5.2
56.93532	2.0
56.96553	17.3
61.02913	2.1
61.04113	2.1
65.03933	3.4
69.85023	6.1
72.08128	2.1
73.08461	9.1
73.32037	1.7
74.03592	1.9
74.06055	3.8
79.01836	8.8
80.20305	1.8
84.04501	2.4
87.00799	3.4
90.01525	2.0
91.05470	32.8
92.04990	3.1
97.02863	2.3
98.97572	4.7
100.02454	3.3
101.00861	14.8
101.54618	1.9
103.02431	3.9
103.05460	2.4
116.98552	3.1
118.03497	5.3
119.01901	100.0
119.06036	12.3
119.08538	4.9
120.02000	8.0
120.04443	2.7
120.05577	4.4
137.02943	41.5
138.03044	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	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03946	0.8
65.03924	4.8
69.39105	1.9
77.03920	1.3
78.04711	1.4
79.05479	7.8
91.05470	100.0
92.05014	0.9
92.05802	3.4
93.07037	7.2
95.04949	7.2
96.05338	0.7
102.04668	0.9
103.05456	17.1
104.06248	13.5
105.04510	2.0
109.06525	1.3
115.05455	6.8
117.07006	45.0
118.07336	1.6
119.04920	1.1
119.06120	4.4
119.08565	84.8
120.04405	1.5
120.05586	1.7
120.08086	2.5
120.08912	2.8
121.06495	1.3
131.06042	1.6
135.07425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63790	0.5
53.03940	1.6
54.04273	0.6
65.03930	7.4
65.05080	0.5
69.23136	1.8
69.23540	1.4
77.03920	1.7
78.04700	1.7
79.05485	6.9
91.05468	100.0
92.05003	6.0
92.05778	3.6
93.07023	6.2
95.04948	6.5
96.05286	1.9
103.05453	12.6
104.05668	0.9
104.06247	9.9
105.04509	2.2
106.04852	1.0
109.06469	1.4
115.05439	5.4
117.07001	35.2
118.07324	1.1
119.04920	1.2
119.06058	3.9
119.06832	2.4
119.08561	80.3
120.04475	2.8
120.05579	2.8
120.08076	3.4
120.08907	4.0
121.06481	0.9
131.06021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03946	1.3
65.03936	4.5
67.05492	0.7
77.03915	1.1
78.04700	1.4
79.05492	7.4
91.05470	100.0
92.05004	0.6
92.05813	3.0
93.07032	6.6
95.04960	5.7
96.05284	0.7
103.05457	15.2
104.06248	13.7
105.04511	2.3
109.06513	1.7
115.05444	6.4
117.07008	42.0
118.07335	1.1
119.06081	3.8
119.08566	86.0
120.04457	0.8
120.05565	1.6
120.08085	1.9
120.08914	4.4
131.06056	1.0
139.01756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.08502	0.8
53.03924	1.7
53.86965	0.8
55.94650	0.8
65.03934	5.1
65.75644	0.9
66.33367	0.8
78.04256	1.1
78.04675	1.3
79.05486	9.5
91.05471	100.0
92.04987	1.3
92.05802	3.7
93.07040	6.1
95.04942	6.1
95.93140	0.8
96.05304	5.3
98.23504	1.9
99.15125	0.8
102.09154	0.9
103.05446	12.3
104.06250	11.5
105.04504	3.5
106.04829	1.6
107.41843	0.9
109.06526	2.0
110.06026	0.9
115.05443	6.2
117.07008	27.2
118.07304	0.9
118.99180	1.0
119.04931	1.7
119.06052	7.6
119.06846	3.4
119.08565	99.0
120.04468	2.0
120.05585	4.4
120.08069	3.4
120.08915	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03939	1.5
55.05507	0.7
61.71309	0.7
65.03930	5.0
70.40453	1.1
70.40767	1.0
77.03928	1.8
78.04707	1.5
79.05480	7.3
81.38973	0.7
91.05470	95.5
92.05814	2.5
93.07030	7.8
95.04953	6.3
96.05292	1.1
103.05456	13.8
104.06251	12.3
105.04504	3.0
109.06557	1.3
115.05425	4.3
117.07007	23.8
118.07346	1.3
119.06059	2.9
119.08564	100.0
120.05597	1.2
120.08073	3.1
120.08890	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03936	2.1
53.15433	0.5
56.05492	0.6
56.53662	0.5
59.05610	0.6
65.03934	6.1
69.07413	3.6
75.46093	0.6
77.03912	1.5
78.04697	1.8
79.05483	9.6
79.05927	0.8
91.05471	96.9
92.05792	2.6
93.07043	6.8
95.04951	6.3
96.05290	1.0
101.47724	0.5
103.05456	14.5
104.05564	1.1
104.06238	13.3
105.04520	2.3
105.19720	0.5
109.06503	1.4
115.05459	7.0
116.05711	0.6
117.07011	22.1
118.07310	0.7
119.04931	2.0
119.06072	2.1
119.08565	100.0
120.05514	1.0
120.08083	2.1
120.08894	4.2
125.44405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
65.03924	2.3
77.03917	1.5
79.05488	3.1
80.05008	1.4
91.05466	13.9
92.04993	1.1
92.05801	1.1
93.07033	21.0
94.07341	0.7
95.04966	8.8
102.04674	0.8
102.09142	0.8
103.05457	84.1
104.05766	3.7
105.04522	3.2
105.07028	3.4
106.89896	0.7
118.06517	2.4
119.07265	1.2
120.04457	1.8
120.05589	5.0
120.08091	100.0
121.02856	1.2
121.03946	1.1
121.06492	2.1
121.08397	3.6
121.10136	1.7
135.11206	0.7
138.87279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.8
53.03946	3.0
55.01859	0.9
55.05487	1.3
61.09414	0.5
63.29467	0.5
64.37380	0.5
65.03930	72.3
66.04273	0.7
67.05495	2.1
70.20480	0.6
71.44253	0.6
77.03932	2.0
79.05479	12.5
80.32235	0.5
81.04535	0.6
81.07066	0.7
91.05468	14.7
91.24310	0.5
92.05830	0.5
93.03391	14.4
93.07028	19.5
94.06541	3.0
94.07376	0.7
95.04951	15.2
98.03691	0.9
103.05447	17.5
103.06090	1.2
104.05746	0.6
105.04502	5.1
105.07011	27.2
106.06609	0.5
106.07822	1.6
107.07342	3.7
111.04423	15.7
111.05157	0.9
119.08585	3.7
121.02869	100.0
121.03973	27.3
121.06476	14.9
121.10118	14.2
122.03113	2.7
122.06012	18.9
122.06889	0.8
122.09652	4.7
122.10455	0.8
123.08043	3.4
133.07616	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05505	2.4
56.60436	0.7
57.97742	0.7
60.54675	0.6
61.13164	0.6
65.03931	80.0
67.05497	2.0
69.16727	3.4
77.03923	2.5
79.05479	16.7
79.05943	0.9
91.05466	9.2
93.03387	14.1
93.07030	21.6
94.03732	0.6
94.06526	0.8
94.88741	0.7
95.04959	7.2
95.68507	0.6
96.09827	0.6
98.03650	1.1
98.22632	1.3
103.05450	4.9
105.04510	2.9
105.07010	19.5
106.07831	0.9
107.07310	3.9
111.04424	16.1
119.08578	2.1
121.02863	100.0
121.03968	25.6
121.06435	3.4
121.10130	11.0
121.27500	0.7
122.03202	2.8
122.04295	0.6
122.06046	2.2
122.09638	5.6
123.08080	1.4
133.07611	1.2
134.07913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02375	2.1
53.03941	10.7
55.01864	3.2
55.05500	0.9
55.20993	0.6
56.68816	0.5
57.98606	0.6
65.03590	1.1
65.03936	19.6
67.05499	2.0
77.03918	10.2
78.04694	1.0
79.05484	8.8
80.05013	1.1
81.03436	1.1
81.04533	3.3
91.05471	81.3
92.05804	2.5
93.03402	2.3
93.07035	75.5
94.06564	3.0
94.07334	3.0
95.04959	67.1
96.05299	1.2
102.04681	2.0
103.05459	95.4
104.05790	4.7
105.04506	26.7
105.07021	11.7
107.07317	6.2
111.04427	6.5
112.03914	0.6
119.04903	0.7
119.08578	1.1
121.02866	24.4
121.03986	9.8
121.06493	100.0
121.10107	5.3
122.03161	1.2
122.06013	6.8
122.06908	4.4
122.09659	8.5
123.08057	1.9
126.43090	0.6
133.07616	1.1
137.50499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01584	0.9
51.02372	2.4
53.03941	9.7
55.01872	2.3
56.96559	4.1
57.03440	0.7
57.49569	0.4
59.42114	0.4
60.86163	0.5
65.03928	4.0
67.05497	0.9
68.02694	0.4
70.68291	0.7
77.00796	0.4
77.03920	12.9
77.04375	0.7
78.04694	0.4
79.01859	0.5
79.05486	1.2
80.05006	0.5
80.93188	1.9
80.94958	0.8
81.03407	1.8
81.04543	1.1
83.00764	0.5
87.18449	0.4
88.84604	0.5
90.01559	0.5
91.05469	76.5
92.05812	2.2
93.03386	0.5
93.07031	63.7
94.06591	0.8
94.07363	2.6
95.04954	61.7
96.05295	1.7
98.97579	1.7
102.04695	2.3
102.65245	0.5
103.05453	100.0
104.05789	3.6
105.04501	25.7
106.04810	0.6
111.04450	1.0
111.29758	0.4
116.98606	1.2
119.01792	0.7
119.04883	0.5
121.01625	1.0
121.02967	2.1
121.04009	1.6
121.06488	94.4
122.06009	2.0
122.06847	3.3
122.09621	0.6
127.32901	0.4
128.26700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03932	4.0
55.01874	1.2
55.05498	4.0
65.03939	9.9
65.19287	0.9
67.05492	5.0
69.23917	3.9
77.03918	4.8
79.05487	44.1
80.05003	1.1
81.03422	0.9
81.04527	1.1
91.05478	20.5
91.06042	1.3
93.03374	2.0
93.05784	2.1
93.07035	41.9
94.06559	13.8
94.07209	1.1
94.07405	1.1
95.04959	21.5
95.05527	2.0
96.04502	1.1
99.51916	0.8
103.05457	20.3
103.06102	1.5
104.05726	1.4
105.04517	8.7
105.07021	100.0
106.06612	1.6
106.07882	6.2
107.07328	11.7
111.04438	4.0
119.08569	14.2
120.08871	1.0
121.02869	12.5
121.03941	6.9
121.06554	6.3
121.07632	1.9
121.10136	54.7
122.06020	75.8
122.09651	12.4
122.10459	1.9
123.08060	11.5
133.07599	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	1.2
53.03932	5.3
55.01867	0.8
55.05510	3.0
65.03930	10.3
66.04253	0.6
67.05499	2.9
67.61298	0.6
70.76702	1.2
77.03923	4.3
78.04678	1.7
79.05482	42.2
80.05836	0.7
81.03388	0.7
81.04519	1.2
81.07027	0.8
91.05468	27.2
92.05805	1.1
93.04522	0.8
93.07029	36.7
94.06548	2.7
94.07328	1.1
95.04327	1.2
95.04947	23.2
101.31564	0.5
103.05453	21.3
104.05796	1.0
105.04516	8.4
105.07011	100.0
106.07858	5.8
107.07320	15.7
111.04412	3.8
119.08553	12.4
121.02848	14.4
121.03954	8.6
121.06488	17.5
121.07491	1.1
121.10122	47.3
122.06019	12.7
122.06883	0.8
122.08803	1.3
122.09650	18.3
122.10460	1.3
123.08041	11.6
133.07607	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02371	1.6
51.05697	0.7
53.03937	5.9
55.01856	1.2
55.05494	6.1
65.03934	7.6
67.05487	3.3
77.03910	6.6
78.04663	1.3
79.05480	58.7
80.05828	1.6
81.07028	3.5
85.66872	1.0
91.05466	41.9
91.06050	2.1
92.05781	1.8
93.07029	86.4
94.06544	6.1
94.07358	2.7
95.04952	31.2
103.05451	22.8
104.05733	1.5
105.04506	12.6
105.07011	100.0
106.06717	0.9
106.07225	1.8
106.07882	7.4
107.07322	5.6
111.04448	2.2
112.03929	0.9
119.08566	14.2
121.02850	8.0
121.03989	5.1
121.06512	7.7
121.07400	1.2
121.07663	1.2
121.10123	55.3
122.06009	20.7
122.06765	0.5
122.09645	7.5
122.10497	2.1
123.08057	11.8
133.07591	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02377	1.4
52.05543	0.8
53.03937	7.0
55.01863	1.2
55.05508	9.8
56.59071	0.7
58.30989	0.8
65.03939	4.1
67.05486	3.8
70.84212	1.4
74.55247	0.7
77.03904	6.7
79.05480	68.8
80.05810	1.4
80.06257	1.1
81.04536	0.7
81.07046	4.0
86.58179	0.8
91.05466	46.3
92.05774	1.4
93.07030	84.0
94.04179	0.8
94.06537	1.3
94.07339	2.3
95.04956	32.2
96.54008	0.7
96.75536	0.8
103.05453	21.9
105.04519	10.7
105.07014	100.0
106.07233	1.7
106.07915	5.8
107.07304	2.8
111.04470	1.0
119.08561	13.4
121.02831	3.5
121.03962	1.6
121.06515	5.2
121.10125	58.2
122.05999	3.1
122.09639	5.2
122.10432	1.6
123.08050	10.5
133.07600	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.0
53.03939	7.4
55.01858	2.4
55.05502	3.8
65.03933	18.9
67.05499	5.9
67.05801	0.9
77.03927	5.2
79.05486	56.2
80.05009	1.3
80.05809	1.0
81.04543	2.5
81.07055	3.3
91.05472	43.8
92.05797	1.1
93.04544	1.4
93.07037	73.4
94.06567	11.2
94.07392	1.3
95.04962	33.8
103.05459	26.9
104.04994	1.7
104.05778	1.0
105.03394	1.0
105.04522	13.8
105.07021	100.0
106.06534	2.9
106.07866	6.5
107.07327	30.6
108.95780	0.9
111.04441	6.2
111.05539	1.4
112.03967	1.3
119.08577	12.3
120.08089	2.4
121.02861	21.4
121.03973	11.7
121.04843	1.3
121.05171	1.1
121.06499	18.7
121.07603	3.7
121.10135	50.0
122.06020	46.8
122.06751	1.4
122.09659	35.9
122.10425	1.8
123.08062	10.2
125.81731	1.2
133.07614	7.2
133.25275	0.9
135.81154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01586	0.8
51.02368	1.9
53.03937	8.4
53.37909	0.5
54.21704	0.7
55.01859	1.5
55.05500	3.8
59.16063	0.6
65.03924	8.1
67.05501	4.4
69.22881	0.5
69.48210	2.6
72.91167	0.6
77.03918	9.2
78.04704	0.9
79.05484	44.2
80.05824	1.0
81.03405	1.4
81.04546	1.2
81.07036	1.9
91.05471	51.9
92.05794	2.2
93.07033	56.3
94.06568	6.6
94.07129	0.8
94.07373	0.9
95.04956	48.1
96.05332	0.7
98.22728	0.9
102.04713	0.7
103.05456	48.4
104.05014	0.6
104.05774	2.2
105.04512	19.2
105.07016	100.0
106.06700	0.6
106.07871	6.1
107.07328	7.8
111.04437	2.5
119.08561	14.3
121.02888	6.7
121.04037	3.3
121.06493	58.2
121.10124	45.0
122.06015	36.5
122.06793	2.1
122.09653	9.5
122.10481	1.8
123.08056	10.7
133.07616	7.5
134.38811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0601
Annotation	n-Phenylformamide
Peak:m/z	Relative Intensity
53.03931	4.8
54.03440	1.1
56.66928	1.2
57.20287	1.1
60.64867	0.9
65.03934	1.2
65.20280	1.1
67.05492	9.1
68.05019	1.4
69.27309	1.0
70.11938	1.9
78.03455	1.0
79.05472	4.4
80.05010	17.2
81.04519	3.9
81.07042	4.1
93.05746	2.6
94.06548	23.8
95.04956	10.8
95.06089	2.0
95.08578	1.8
96.04477	7.6
103.05451	1.7
104.05007	2.3
105.04507	2.5
105.07007	7.3
106.61283	1.1
107.06664	1.4
107.07323	15.3
111.05502	1.5
112.03979	2.0
118.03445	0.9
122.06014	100.0
122.09649	25.0
123.05536	36.0
123.06338	2.5
123.08065	3.9
123.09126	2.2
123.09991	1.6
139.04959	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0602
Annotation	Benzamide
Peak:m/z	Relative Intensity
50.72586	0.3
51.02372	0.7
53.03939	2.4
53.64301	0.3
54.03464	0.6
55.01865	0.6
62.01790	0.4
65.03927	1.5
67.05499	8.4
68.05013	0.4
69.75374	0.9
69.75722	0.5
75.71848	0.3
77.03901	1.3
79.05489	5.6
80.05019	2.1
81.03412	6.0
81.04520	0.9
81.07049	1.4
92.05754	0.4
93.03377	0.7
93.05792	2.1
94.04220	0.3
94.06558	20.5
95.04958	12.2
95.06851	0.4
96.04485	2.2
96.05191	0.4
104.04984	1.8
105.03381	1.2
105.04503	2.7
105.07025	3.8
107.07327	8.1
109.75140	0.3
112.03970	0.4
117.10593	0.3
120.00504	0.3
122.06018	100.0
122.09644	8.4
123.04417	5.8
123.05530	4.9
123.06364	2.7
123.08072	0.6
123.10007	0.4
131.33141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01581	0.7
51.02367	1.8
53.03697	0.6
53.03944	9.0
53.94840	0.4
55.01868	0.8
55.05493	1.8
57.07070	0.7
65.03943	3.8
67.05499	19.8
67.05861	1.0
70.51721	0.8
77.03927	5.5
78.03435	0.7
79.05482	70.5
79.66657	0.6
80.05007	7.0
80.05807	2.0
81.03407	100.0
81.07044	14.8
81.07424	0.4
82.03742	1.3
83.06150	0.6
93.07015	0.8
95.04956	60.8
95.08598	4.9
96.04489	3.1
96.05264	1.2
98.23327	0.5
101.00877	1.9
105.03400	12.6
105.04493	12.3
105.07009	1.2
108.05736	2.4
108.07668	0.9
112.03942	1.7
119.01897	7.9
123.04423	71.8
123.05525	15.2
123.08047	7.7
123.10001	1.3
123.11652	2.7
124.03941	7.0
124.04762	1.0
124.07590	1.2
137.02953	3.9
140.03418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01579	1.4
50.88002	0.4
51.02367	5.0
53.03942	2.7
55.01861	1.5
55.05503	0.8
57.61121	0.4
59.29880	0.3
59.71688	0.4
64.56671	0.4
65.03915	1.5
67.05491	11.1
69.89579	0.9
69.89927	0.8
77.03916	14.6
79.05474	2.1
80.05003	5.3
81.03401	1.5
81.07040	7.3
95.04953	18.0
95.08591	1.8
96.04479	2.9
96.05321	0.4
101.00851	0.9
105.03381	13.9
105.04464	6.2
105.07021	0.4
105.93547	0.4
106.07318	0.5
108.07635	0.7
112.03279	0.4
112.03936	1.9
118.03662	0.4
119.01900	5.5
123.04412	100.0
123.05497	12.3
123.08044	1.8
123.10021	0.5
123.11682	1.3
124.03917	4.0
124.04764	2.2
137.02968	2.0
140.03418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02375	2.9
52.15646	1.6
53.03931	11.5
55.01852	3.9
55.05500	10.7
57.07058	4.0
57.67306	1.8
65.03931	6.8
67.05496	63.1
68.05021	3.0
68.05827	1.7
69.07051	2.0
69.76704	5.5
77.03918	4.5
78.03430	2.5
79.05488	58.6
79.05949	3.8
80.05016	27.9
81.03411	100.0
81.07048	86.7
85.38493	1.6
93.07031	8.5
93.87855	1.9
95.04961	77.7
95.06019	3.5
95.08594	43.5
96.04480	9.9
96.05290	3.2
100.02467	1.8
101.00876	7.5
105.03397	9.3
105.04504	14.2
105.07016	6.5
106.02869	2.8
106.07383	3.0
108.05728	5.5
108.06887	2.2
108.07663	4.4
111.05569	2.0
112.03948	11.3
119.01911	37.5
123.04422	85.0
123.05535	71.2
123.06350	6.9
123.08054	24.7
123.09099	3.7
123.10001	4.2
123.11676	21.7
124.03934	25.2
124.04762	2.9
133.75894	1.5
137.02956	15.8
140.03450	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	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02380	1.6
53.03937	12.1
55.01868	2.7
65.03946	4.7
67.05502	26.3
69.31994	2.7
69.32338	8.6
72.42547	1.7
77.03928	7.6
78.03419	1.8
79.05484	61.4
80.05016	20.9
81.03411	100.0
81.07049	14.5
86.11330	1.8
95.01343	1.9
95.04957	51.6
95.06884	2.5
95.08588	4.0
96.04491	8.7
96.05298	2.5
100.02496	2.0
101.00879	7.1
105.03396	7.7
105.04517	11.5
108.07661	2.7
112.03970	8.7
119.01910	35.5
123.04427	72.5
123.05540	45.5
123.06380	21.4
123.08070	6.2
123.09146	3.1
123.11688	2.4
124.03938	16.5
137.02948	13.2
140.03424	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	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02377	1.4
53.03936	4.9
55.01865	9.1
55.05499	1.7
55.47983	0.7
56.96542	1.7
65.03925	9.1
67.05494	47.4
68.05022	2.8
68.05807	0.8
69.98050	2.3
77.03927	5.9
78.03465	4.6
79.05479	10.5
79.85335	0.9
80.05003	48.0
81.03407	5.3
81.04521	1.8
81.05326	1.0
81.07046	13.7
93.07037	1.5
95.04953	42.0
95.06101	1.6
95.08586	4.2
96.04478	21.2
96.05262	1.4
96.08143	1.3
100.02457	2.1
101.00858	8.9
105.03379	5.9
105.04511	7.4
105.07051	1.0
106.02906	3.6
106.06557	1.1
108.07586	0.9
111.05549	1.4
112.03946	8.6
118.03506	1.6
119.01902	63.2
123.04424	76.6
123.05536	100.0
123.08060	4.5
123.09105	1.7
123.09981	1.6
123.11668	2.9
124.03933	30.5
124.05880	1.8
124.07566	2.1
128.81093	0.8
137.01891	2.0
137.02934	33.2
139.05031	1.1
140.03383	4.5
142.03467	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02366	2.7
53.03941	12.7
55.01874	2.9
55.05507	10.7
57.07055	5.2
57.51828	1.3
61.47662	1.4
65.03929	4.7
67.05499	57.0
68.05006	1.6
69.03419	2.3
69.07056	2.0
70.46991	1.6
70.47320	1.9
77.03920	5.3
78.03439	1.4
79.05484	77.5
80.05007	27.2
80.05768	2.2
80.06258	1.6
81.03407	94.5
81.07048	100.0
82.03735	2.2
91.05474	2.6
93.07034	7.8
95.04958	61.7
95.08591	31.8
96.04475	14.5
96.05315	2.6
100.02479	2.0
101.00868	5.5
105.03384	9.7
105.04494	9.2
105.07016	6.2
106.07323	2.1
108.05726	10.2
108.07631	3.4
111.05554	1.9
112.03964	8.5
116.98600	1.3
119.01907	24.3
123.04417	72.1
123.05530	61.5
123.06322	3.9
123.08051	69.2
123.09031	2.1
123.09943	3.4
123.11691	20.1
124.03941	24.0
124.04743	1.6
124.07570	3.7
124.08381	1.9
137.02963	8.9
139.04980	1.8
140.03415	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
52.26620	0.7
53.03937	4.2
55.01875	1.3
55.05504	21.0
57.07072	4.3
60.63523	0.6
65.03934	5.1
67.05497	86.0
68.05020	1.6
68.05828	1.5
69.07056	2.7
77.03909	1.5
78.03452	0.9
79.05487	23.2
80.05008	19.0
80.05782	1.0
80.06279	2.1
81.03410	9.8
81.07047	94.0
82.07378	1.8
83.04949	0.7
88.63102	0.6
91.05466	4.2
93.07040	15.7
94.07839	0.8
94.86349	0.8
95.04958	42.6
95.08595	59.2
96.04483	10.5
96.05265	1.3
96.08914	1.7
100.02469	1.0
101.00867	3.3
105.03388	0.9
105.04500	2.1
105.07010	5.1
106.02937	1.2
106.07358	0.8
107.04961	2.3
108.05766	10.6
108.07681	1.3
108.09395	0.7
111.05556	2.2
112.03943	7.5
114.45638	0.7
119.01903	22.5
121.06541	0.8
121.10179	1.1
123.04473	4.9
123.05544	42.5
123.08054	100.0
123.11692	17.8
124.03941	26.1
124.05866	1.2
124.07578	2.7
124.08429	3.8
129.95511	0.7
137.02950	11.1
140.03398	4.0
142.03484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03948	4.3
55.01863	2.2
55.05255	1.2
55.05506	19.9
57.07054	2.0
65.03928	5.0
67.05496	85.8
68.05821	1.2
71.20441	1.1
79.05481	11.5
80.05009	6.5
80.06269	1.8
81.03419	8.4
81.07047	41.1
83.04957	1.2
86.37901	0.8
91.05463	4.7
93.07035	16.1
95.04958	47.3
95.08595	60.2
96.04472	3.5
96.05203	0.8
96.08924	1.2
101.00861	2.5
103.05451	1.1
105.04505	1.3
105.07021	3.8
107.04912	1.5
108.05747	4.6
119.01911	10.6
119.06069	0.7
123.05555	13.3
123.08052	100.0
123.11684	7.8
124.03939	8.1
124.07583	1.3
124.08411	2.5
131.74750	0.8
133.04016	0.9
137.02946	3.1
140.24545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
51.02396	1.2
53.03941	6.0
55.01875	2.3
55.05277	0.5
55.05503	25.9
57.07069	4.6
65.03938	6.1
67.05497	96.9
68.05025	0.9
68.05840	2.6
69.03436	1.5
69.05909	4.9
69.07059	4.1
77.03926	2.0
79.05483	32.5
79.05949	1.6
80.05009	14.1
80.05823	1.1
80.06282	2.6
81.03030	0.4
81.03413	23.4
81.07048	100.0
82.03726	1.2
82.07410	1.2
84.63777	0.7
91.05456	4.4
93.07036	16.0
95.04962	26.5
95.06078	1.6
95.08596	91.5
96.04484	8.2
96.05323	1.1
96.08140	0.8
96.08956	1.9
100.02458	0.8
101.00861	4.8
103.05470	0.9
105.03387	2.5
105.04514	4.2
105.07021	8.1
106.02940	1.1
106.07336	1.0
107.04977	3.3
108.05726	16.5
108.07674	1.3
108.09404	1.1
109.06041	0.7
111.05547	1.1
112.03957	6.0
118.03525	0.8
119.01905	28.6
121.06504	2.8
121.10139	1.7
123.03551	0.6
123.04435	20.7
123.05545	35.7
123.06343	3.0
123.08054	43.8
123.09978	2.7
123.11687	25.5
124.03943	16.0
124.04868	0.9
124.07600	1.2
124.08443	1.4
137.02936	9.9
140.03453	3.6
142.03487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02354	0.6
53.03946	5.5
55.01865	2.4
55.05507	22.5
57.07072	5.3
65.03932	6.0
65.12954	0.6
67.05498	85.3
68.05019	0.8
68.05824	2.0
69.03429	1.7
69.07050	3.8
69.45078	1.1
69.45477	2.0
72.58708	0.6
77.03919	2.5
78.03463	1.1
79.05482	31.1
80.05006	14.1
80.05797	0.9
80.06264	1.9
81.03409	24.0
81.07047	100.0
82.07368	1.6
91.05460	2.9
93.07037	15.2
94.07829	1.3
95.04959	23.0
95.08595	81.0
96.04499	7.1
96.05125	0.8
96.08127	0.8
96.08925	2.0
101.00852	4.7
103.05447	1.0
105.03381	1.9
105.04509	3.2
105.07020	8.0
106.02904	0.9
106.07357	1.0
107.04929	2.7
108.05718	17.3
108.07673	1.7
108.09368	0.8
111.05544	0.8
112.03947	6.4
119.01905	25.7
119.02768	1.2
121.06499	2.4
121.10128	1.7
123.04419	21.1
123.05532	27.8
123.06352	3.2
123.08054	41.1
123.09026	1.3
123.09969	2.5
123.11692	25.1
124.03100	1.0
124.03941	14.5
124.04651	0.5
124.05878	1.4
124.07553	1.8
124.08384	1.1
124.12032	0.8
137.02945	12.5
137.04765	0.5
138.61598	0.6
139.05040	0.6
140.03410	2.9
142.03452	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03945	1.3
55.05505	4.3
57.07071	5.6
57.07330	0.4
65.03940	1.0
67.05499	13.1
67.05861	0.6
68.05023	0.6
69.07059	2.9
79.05488	16.7
80.05015	5.2
80.05810	0.6
81.07050	100.0
82.07378	3.0
83.08647	0.3
91.05434	0.6
93.07035	2.1
94.07823	1.0
95.04964	0.9
95.06070	0.7
95.08601	14.7
96.04479	3.2
96.08913	0.3
100.02470	0.3
101.00867	0.9
105.07031	0.8
108.09383	0.9
111.05541	0.8
112.03947	1.6
119.01913	9.8
119.02768	0.6
121.10138	1.5
123.04748	0.2
123.05544	11.7
123.08074	0.7
123.09188	1.6
123.11694	26.2
124.03944	5.5
124.04772	0.2
124.05889	0.4
124.07574	0.9
124.12022	1.4
125.56812	0.3
128.89684	0.3
137.02950	4.9
140.03383	0.8
142.03517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
53.03939	1.1
54.74277	0.2
55.05503	4.7
57.07067	4.0
65.03941	1.1
67.05494	11.8
68.67596	0.2
68.77905	0.2
69.07052	2.4
69.14523	1.0
69.14931	0.3
70.15829	0.2
77.03943	0.2
78.03440	0.2
79.05480	15.3
80.05010	2.1
80.05811	0.5
81.07043	100.0
82.07383	2.8
83.08577	0.3
93.07016	1.6
94.07797	0.6
95.01158	0.2
95.04965	1.2
95.08591	12.3
96.04485	1.3
96.08913	0.3
98.22556	0.4
101.00864	0.7
105.04488	0.4
105.06990	0.4
105.17482	0.2
108.05710	0.5
108.07649	0.3
108.09339	0.6
111.05521	0.3
112.03945	1.1
119.01904	4.3
121.10130	1.2
123.04429	0.8
123.05528	4.8
123.08058	2.4
123.09969	0.7
123.11687	17.7
124.03937	3.4
124.07559	0.3
124.12022	0.8
128.07085	0.2
137.02959	1.7
140.03415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05499	3.8
57.07066	4.1
65.03930	1.1
66.04711	0.3
67.05494	12.6
68.04999	0.3
68.05820	0.3
69.07054	2.4
73.91255	0.2
77.03918	0.4
78.03428	0.3
79.05477	15.7
79.08813	0.2
80.05005	3.0
80.05795	0.5
80.10374	0.2
81.07041	100.0
82.07375	3.3
93.07045	1.8
94.07801	1.0
95.04956	1.6
95.06112	0.3
95.08591	10.2
96.04488	1.9
96.05042	0.3
96.08932	0.4
101.00871	1.0
105.04506	0.4
105.06994	0.6
108.05723	0.4
108.07642	0.4
108.09326	0.4
111.05559	0.3
112.03954	1.7
119.01903	4.4
121.10105	0.8
123.04441	1.0
123.05532	6.4
123.06322	0.3
123.08048	1.9
123.09153	0.3
123.11681	14.6
124.03934	4.4
124.05907	0.4
124.07561	0.5
124.12032	0.6
137.02939	2.1
140.03400	0.7
142.03416	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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05499	3.8
57.07066	4.1
65.03930	1.1
66.04711	0.3
67.05494	12.6
68.04999	0.3
68.05820	0.3
69.07054	2.4
73.91255	0.2
77.03918	0.4
78.03428	0.3
79.05477	15.7
79.08813	0.2
80.05005	3.0
80.05795	0.5
80.10374	0.2
81.07041	100.0
82.07375	3.3
93.07045	1.8
94.07801	1.0
95.04956	1.6
95.06112	0.3
95.08591	10.2
96.04488	1.9
96.05042	0.3
96.08932	0.4
101.00871	1.0
105.04506	0.4
105.06994	0.6
108.05723	0.4
108.07642	0.4
108.09326	0.4
111.05559	0.3
112.03954	1.7
119.01903	4.4
121.10105	0.8
123.04441	1.0
123.05532	6.4
123.06322	0.3
123.08048	1.9
123.09153	0.3
123.11681	14.6
124.03934	4.4
124.05907	0.4
124.07561	0.5
124.12032	0.6
137.02939	2.1
140.03400	0.7
142.03416	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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.05505	4.9
57.07071	4.7
65.03928	1.0
67.05496	14.6
68.05022	0.5
69.07050	2.9
69.17496	1.9
72.00591	0.4
77.03897	0.5
78.03438	0.6
79.05479	15.7
80.05010	6.4
81.07044	100.0
82.07377	3.6
83.08667	0.4
93.07042	2.6
94.07820	1.0
95.04955	3.4
95.06127	0.4
95.08589	13.3
95.09200	0.7
96.04491	4.6
96.08926	0.5
101.00863	1.8
105.04462	0.6
108.05704	1.1
108.07684	0.5
108.09361	0.9
108.11532	0.4
112.03953	3.5
112.99818	0.4
119.01899	13.4
121.10102	1.0
123.04439	1.4
123.05537	13.3
123.06422	0.8
123.08054	6.1
123.09117	0.7
123.11688	17.9
124.03934	9.2
124.05866	0.6
124.07567	1.1
124.08389	0.5
124.12003	1.0
126.82606	0.4
127.20925	0.4
131.05977	0.4
137.02928	5.2
140.03392	1.8
141.11172	0.5
142.03465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01865	1.6
55.05506	11.8
57.07068	5.9
65.03930	3.5
67.05497	47.5
68.05019	0.6
68.05833	1.4
69.07054	3.5
69.82666	1.8
77.03926	2.4
78.03458	0.8
79.05482	32.9
80.05008	9.9
80.05804	1.1
80.06264	1.6
81.03041	0.6
81.03407	28.1
81.07045	100.0
82.03727	0.9
82.07382	2.3
90.04681	0.5
91.05462	2.0
93.07032	8.9
95.04959	22.1
95.08594	43.0
96.04487	4.9
96.05222	1.1
96.08900	1.3
100.02465	0.6
101.00876	2.9
103.05444	0.9
105.03361	2.4
105.04510	3.2
105.07015	4.2
106.04849	0.6
106.07339	1.0
107.04972	0.9
108.05730	8.0
108.07656	1.8
108.09360	1.3
112.03964	3.9
119.01902	12.8
121.06495	1.3
121.10133	1.8
123.03521	1.0
123.04417	22.4
123.05531	18.2
123.06315	1.5
123.08052	26.9
123.09982	1.0
123.11689	22.8
124.03941	13.0
124.04774	1.3
124.05792	0.7
124.07570	1.9
124.08336	1.2
124.12005	0.9
137.02943	5.0
140.03378	2.1
142.03447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.1
53.03936	3.8
55.01859	2.0
55.05511	5.6
57.07071	5.5
61.78508	0.8
65.03929	3.7
66.04697	0.8
67.05499	30.8
68.05032	3.9
68.05843	1.4
69.07058	2.3
70.80349	1.1
77.03922	3.3
78.03438	3.3
79.05033	1.5
79.05487	25.5
80.05010	39.9
81.03425	5.6
81.04559	1.2
81.07049	100.0
82.07372	3.0
90.47031	0.7
91.05478	1.4
93.07035	4.7
94.06551	1.3
94.07816	1.1
95.01335	0.9
95.04961	15.3
95.06094	2.6
95.06896	3.2
95.08595	23.9
96.04481	26.3
96.05208	1.4
96.08113	1.4
98.90516	0.7
100.02483	3.1
101.00864	13.2
105.03368	3.2
105.04496	2.4
105.07024	2.4
106.02884	2.9
106.06650	0.9
106.07333	4.1
108.05738	3.1
108.07657	5.1
111.05568	2.9
112.03182	1.3
112.03954	23.2
112.04702	1.5
118.03530	2.4
119.01907	98.1
121.10133	1.9
123.04438	19.7
123.05541	79.9
123.06365	13.3
123.08052	25.0
123.09142	4.1
123.09922	6.1
123.11689	21.4
124.03938	53.7
124.07577	4.3
124.08405	1.4
132.18050	0.8
137.02946	53.6
139.05019	1.1
140.03409	12.6
142.03494	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	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08271	0.1
53.63071	0.1
67.88593	0.1
69.90275	0.5
69.99433	0.1
70.01902	0.2
72.31518	0.1
82.01428	0.3
82.99825	2.2
98.12099	0.1
100.02464	0.6
100.27012	0.1
101.00866	28.0
102.00933	0.9
118.03449	0.2
119.01902	100.0
120.01987	3.5
121.02333	0.3
122.83298	0.1
124.02442	0.4
124.03935	0.2
128.20592	0.1
137.02936	26.7
138.03008	1.1
142.02380	0.2
142.03482	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	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20011	0.1
58.99843	0.2
82.01420	0.2
82.99821	2.5
98.23283	0.1
100.02476	0.5
101.00864	28.7
102.00931	1.1
111.00447	0.2
119.01900	100.0
120.01981	3.5
120.02962	0.2
121.02306	0.5
124.02409	0.3
124.03914	0.2
137.02933	26.0
138.02988	1.0
142.03477	3.9
143.03551	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.3
60.00653	0.2
60.19393	0.2
61.00993	0.2
70.35462	0.2
70.68159	0.2
80.04997	0.4
81.05327	0.4
82.01440	0.2
82.99825	2.2
90.32034	0.2
96.04490	0.6
97.02896	0.2
97.04855	0.1
100.02483	0.4
101.00862	27.9
102.00934	1.0
102.02200	0.3
112.03905	0.5
118.03507	0.2
119.01899	100.0
120.01972	4.4
121.02376	0.5
124.02469	0.4
124.03928	1.7
124.05898	1.3
124.07523	0.3
131.01891	0.2
137.02934	28.0
138.03038	1.3
140.03381	0.3
142.03473	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	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
50.02743	1.1
53.03946	2.6
55.01878	2.4
55.05509	12.2
57.03426	3.8
64.61803	1.0
65.03918	2.3
67.05497	4.0
68.05003	1.4
68.99784	19.2
69.03424	100.0
69.07067	2.5
69.13977	7.6
70.03774	1.3
70.06595	2.0
79.05481	11.9
80.05019	8.5
81.03416	1.3
81.07052	10.4
82.06573	8.6
83.04976	7.5
83.06086	2.4
83.08647	1.4
84.04488	2.0
84.96049	1.4
90.32143	1.2
91.05475	7.8
95.06064	1.1
97.02908	4.6
97.06529	3.8
98.06073	2.9
102.00967	2.3
103.00636	1.2
105.07015	2.8
107.06081	6.3
107.08595	13.3
108.04470	21.8
108.08097	2.0
109.06516	3.2
110.59071	1.0
111.04443	1.1
118.82712	1.1
119.01900	4.9
120.01988	18.0
121.01675	9.3
125.02414	1.2
125.04303	4.1
125.05995	6.4
125.07044	7.8
125.09624	27.2
125.10712	3.6
126.05508	16.4
126.09147	5.1
130.11356	1.2
137.02907	1.8
138.03038	8.4
139.02705	4.1
141.03738	1.6
143.03580	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.03940	53.1
55.01865	14.4
55.05484	3.1
56.05000	2.2
57.03432	11.7
58.06590	2.5
69.03060	3.5
69.03421	55.7
69.03797	4.1
69.90208	4.2
69.90564	4.8
70.53114	2.0
71.01336	4.7
71.04982	28.1
81.03407	100.0
81.07033	5.2
82.06571	5.9
82.49729	2.2
83.01328	20.4
84.08131	20.9
85.02884	5.8
97.02882	29.9
98.23394	2.4
99.04449	12.7
102.25476	2.0
109.02865	36.0
109.04774	2.6
124.25793	1.9
127.03894	95.6
127.04848	3.5
127.07336	3.8
128.04213	2.7
128.07091	2.5
132.42734	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	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
50.91160	0.6
51.02383	0.9
53.00288	0.6
53.03941	20.4
54.04273	0.7
55.01866	19.9
55.05500	3.0
56.01667	0.7
56.96566	1.8
57.03428	3.4
58.06595	3.6
69.03420	100.0
70.03746	1.7
70.06591	3.4
71.01351	2.5
71.04984	6.1
74.51955	0.6
81.03409	60.1
81.04522	20.0
81.05311	1.6
81.07021	3.5
82.02973	0.8
82.03745	1.5
82.06568	8.5
83.01324	5.6
84.02129	0.8
84.08133	31.0
85.02894	6.1
85.05155	2.0
86.06052	2.6
95.01315	5.5
97.02882	11.5
97.64246	0.7
98.98442	0.8
99.04449	8.7
99.05561	0.7
100.07611	7.7
109.02864	52.7
109.04829	2.6
109.06527	1.1
110.03181	1.5
110.04329	1.3
110.06011	1.7
119.01915	0.7
121.01678	2.0
122.02017	1.2
127.03906	36.6
127.04978	3.8
127.05862	1.3
127.07079	3.4
127.08659	0.8
128.03439	2.1
128.04282	1.1
128.07077	6.6
128.07970	1.1
133.03445	0.7
140.00359	0.9
140.03029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0754
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	7.8
55.01861	2.8
55.05509	5.8
57.03431	3.9
58.71217	0.7
59.04994	7.0
60.10194	0.7
65.03931	11.7
66.36324	0.6
66.74327	0.6
67.05495	100.0
68.05825	0.8
69.03423	12.0
69.07047	4.2
71.04984	8.8
71.46094	0.7
79.05479	26.9
81.03406	10.7
81.07043	75.2
82.06574	3.6
82.07392	2.0
83.04978	1.7
84.08123	6.6
85.02892	1.3
85.06525	17.7
95.04955	49.1
96.05299	1.1
97.02869	5.6
98.98433	1.3
99.04458	2.1
99.08066	5.1
100.07599	0.8
109.02859	7.5
109.04099	1.0
109.04842	1.8
109.06503	27.6
109.10160	0.8
110.06020	0.8
110.06858	1.0
127.03900	11.6
127.05954	1.0
127.07540	22.1
128.06209	1.8
128.07060	1.8
128.07924	0.8
140.65706	0.7
146.32808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54733	0.5
53.03938	2.7
55.01865	1.6
55.05507	26.3
56.05833	0.6
57.07064	1.8
63.12608	0.6
65.03928	1.5
67.05497	14.7
69.03413	4.5
69.07057	2.0
69.77899	1.9
71.04985	3.3
79.05494	0.8
81.03402	4.4
81.07051	1.9
82.06594	2.4
84.08141	3.1
85.06534	100.0
86.06864	1.7
95.04955	4.9
97.02879	1.1
98.98470	1.0
99.04467	1.0
99.08074	1.5
100.07572	0.5
103.71246	0.5
109.02864	2.8
109.04782	0.9
109.06481	0.5
109.10138	1.2
110.06050	0.5
116.86585	0.5
127.03913	5.8
127.07539	2.2
128.06174	1.5
128.07095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0754
Annotation	Toluene-cis-dihydrodiol
Peak:m/z	Relative Intensity
52.18967	0.5
53.03941	3.1
55.01865	2.7
55.05505	3.4
56.05015	0.4
57.03430	1.0
58.06609	0.5
59.04990	7.2
65.03929	10.4
67.05495	100.0
68.05825	1.7
69.03416	8.2
69.07049	4.5
70.06550	0.5
71.04980	8.1
71.43346	0.4
79.05486	1.2
80.05017	0.7
81.03400	8.5
81.07040	3.4
82.06576	2.0
83.01334	0.7
83.04990	0.6
84.08141	3.7
85.02892	0.9
85.06530	11.6
95.04954	55.0
96.05291	1.5
96.48973	0.4
97.02880	6.6
98.98473	0.7
99.04446	1.8
99.08074	5.4
100.07590	0.8
104.46636	0.5
109.02869	5.3
109.04815	1.4
109.06501	1.9
109.10131	0.5
110.06011	0.7
113.67777	0.4
127.03900	9.4
127.07530	16.7
128.06198	5.3
128.07065	1.2
128.07881	0.5
133.32211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
54.03460	9.7
55.01867	22.7
55.05510	24.5
55.93531	4.8
57.03428	8.0
57.07072	41.7
58.02953	6.6
58.06571	4.2
60.38974	3.8
65.03931	5.8
67.04256	5.5
67.05479	6.3
68.05003	5.9
69.07058	10.4
70.06590	21.7
71.04948	4.3
72.04510	60.5
80.05001	13.9
82.06570	100.0
83.04980	9.4
83.08599	14.8
84.04486	6.3
84.08145	5.1
85.08494	4.9
86.06066	66.2
86.09700	60.7
93.15870	4.2
100.07611	50.7
110.06030	28.5
112.07586	13.8
128.03415	5.1
128.06224	9.1
128.07069	68.3
128.10712	47.8
128.14346	12.2
129.06979	4.0
129.10239	4.9
138.05920	4.4
141.80194	4.3
146.96158	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	129.07
Annotation	Naphthalene
Peak:m/z	Relative Intensity
55.05508	2.7
55.93521	5.3
56.05037	3.0
57.03422	1.6
57.07060	1.8
58.06580	0.6
59.04997	1.6
67.05480	1.0
69.03056	1.2
69.03423	16.6
69.07064	5.1
69.63607	2.1
70.06582	1.2
71.04982	1.6
72.45487	0.6
74.09711	1.3
82.06582	0.6
83.04960	2.4
83.06106	1.4
83.06892	1.4
84.04494	33.5
84.08137	15.5
85.02898	2.3
86.06050	0.5
86.09677	3.5
103.05457	1.3
109.72549	0.6
111.04444	1.0
112.07591	42.2
112.11239	2.5
127.05417	2.1
128.06207	71.0
128.95108	1.5
129.06995	100.0
129.10211	2.5
129.13892	0.7
130.04993	2.4
130.06509	8.2
130.07367	2.6
130.08621	7.5
130.15909	1.9
145.06465	8.4
146.96170	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0699
Annotation	Naphthalene
Peak:m/z	Relative Intensity
51.02367	0.7
55.05502	4.8
55.93512	1.7
56.23510	0.6
57.07075	2.0
58.40334	0.6
69.03423	7.5
69.07056	4.0
69.89210	1.1
69.89557	1.3
70.06582	6.2
71.04971	0.9
74.09734	1.2
75.71600	0.6
82.06586	0.7
83.04970	1.1
83.06110	1.1
83.08611	2.7
84.04495	6.3
84.08131	5.1
85.02915	1.1
86.09698	2.7
94.06567	0.8
94.71729	0.6
98.28039	0.6
102.71555	0.6
103.05453	1.5
112.07588	15.8
121.01018	0.7
124.35768	0.8
127.05434	2.5
128.06203	77.5
128.95210	0.8
129.06996	100.0
130.06511	6.6
130.07364	2.7
130.08594	3.1
130.15913	2.0
145.06477	7.4
147.39789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0499
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
51.83556	0.1
52.60189	0.1
56.05030	6.4
56.96560	1.2
57.03427	0.6
61.02921	0.2
67.05506	0.2
69.03425	7.7
69.07063	0.8
69.64544	0.4
69.95551	0.1
70.06589	1.8
71.04984	0.3
73.02917	0.3
82.06565	0.7
83.00781	0.2
84.04498	100.0
84.08134	14.2
85.02894	6.2
85.04819	1.0
90.01566	0.2
94.06550	0.1
95.01333	0.6
98.01256	0.2
98.97575	1.0
102.05552	1.7
110.01281	0.3
110.97556	0.2
112.03954	0.2
112.07595	16.9
113.07924	0.3
116.98612	0.3
119.01821	0.4
130.04991	9.7
130.06540	0.4
130.08630	4.8
130.12270	0.3
131.05356	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	130.065
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.31758	0.1
51.02362	0.3
53.03922	0.4
53.76084	0.1
55.39578	0.1
56.05016	0.3
57.07066	0.8
60.95030	0.1
61.88654	0.1
65.56367	0.1
67.05470	0.1
67.92841	0.1
68.19788	0.1
69.03056	0.2
69.03416	2.9
69.07069	0.3
69.17778	0.7
70.06573	0.3
70.07388	0.2
74.09686	0.4
77.03902	0.9
82.06557	0.2
84.04484	1.9
84.08124	2.0
88.07577	0.1
89.27160	0.1
91.05460	1.7
95.04952	2.7
102.04632	0.5
103.05449	14.7
104.05004	0.1
104.05765	0.1
105.04494	1.4
112.07583	6.8
113.07896	0.1
115.05498	0.2
116.06203	0.4
128.04955	1.5
129.05711	0.2
129.06941	0.4
130.06503	100.0
130.15904	0.8
131.04907	0.5
131.05923	0.2
131.06841	2.8
131.08487	1.3
143.78409	0.1
146.05983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
53.16166	0.3
56.05032	3.3
56.96546	1.2
57.03417	0.5
57.07071	2.1
60.05640	18.5
60.79403	0.2
63.61000	0.3
66.51311	0.3
67.05491	1.3
68.05003	0.5
69.03419	33.3
69.07058	3.7
69.33561	1.2
70.03786	0.4
70.06582	36.3
71.04982	37.0
71.06933	0.5
71.93012	0.4
72.05284	0.4
72.08141	0.6
74.02436	0.3
74.09695	1.1
77.03916	0.4
82.06570	2.6
83.04954	0.3
84.04492	31.6
84.08130	24.9
85.02892	1.2
85.04816	0.9
85.08461	0.6
88.05131	0.3
88.07622	3.1
91.05495	0.7
94.06555	0.8
94.57197	0.3
95.04942	2.7
102.04637	0.4
102.05552	0.3
103.05453	13.0
104.05766	0.3
105.04499	1.1
112.07587	70.9
113.07898	1.5
125.96113	0.5
128.04967	1.8
129.06586	0.6
130.04938	2.7
130.06509	100.0
130.08615	15.5
130.09738	9.9
130.15883	2.1
131.04881	1.2
131.05989	0.5
131.06845	3.9
131.08472	0.7
131.10127	0.4
146.05940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
52.43975	0.9
56.05022	1.4
57.07070	94.3
58.07404	1.5
69.03424	5.7
70.75958	1.5
71.05009	1.0
72.08163	1.1
74.09711	58.3
75.10041	1.5
80.37221	0.9
84.04494	9.2
84.08118	4.0
103.05476	1.6
112.07584	13.1
130.06500	3.5
130.08643	2.4
130.15906	100.0
131.16241	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	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02379	0.5
53.03935	1.5
55.01849	0.1
56.05015	0.1
57.03439	0.2
57.07063	0.2
67.05497	0.2
69.03432	0.1
69.36096	0.4
69.36502	0.3
70.03761	0.2
70.44150	0.1
72.08135	0.4
74.09699	0.1
77.03911	1.5
85.04810	0.2
85.08470	0.2
86.06035	0.3
86.09683	0.3
90.90378	0.3
91.05476	1.8
95.04955	7.7
96.05306	0.2
99.37550	0.2
102.04659	1.1
103.05451	100.0
104.05006	0.4
104.05779	2.8
105.04498	3.3
113.07926	0.8
115.05376	0.2
116.06233	0.5
121.77403	0.1
129.06972	0.3
131.04907	9.6
131.06865	0.6
131.08487	1.2
131.16208	0.1
132.04388	0.6
132.05232	0.3
132.06497	0.3
132.08096	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.3
51.02361	0.3
53.03947	1.4
54.76119	0.3
56.05012	0.4
57.03425	1.0
57.07070	0.3
61.99836	0.3
65.06497	0.2
69.03433	0.7
70.03748	1.4
71.41164	0.3
72.08145	0.5
77.03912	1.6
84.04510	0.7
85.04817	2.0
85.08471	0.9
86.09689	0.3
91.05472	2.9
95.04961	9.1
102.04674	1.3
103.05458	100.0
104.05007	0.9
104.05788	3.0
105.04517	3.5
113.07932	2.5
116.06203	0.4
129.06998	0.4
130.15968	0.3
131.04918	9.7
131.06000	0.6
131.06898	1.0
131.08514	3.1
131.16255	0.5
132.04445	2.1
132.05283	0.4
132.06541	0.4
132.08070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.3
51.02361	0.3
53.03947	1.4
54.76119	0.3
56.05012	0.4
57.03425	1.0
57.07070	0.3
61.99836	0.3
65.06497	0.2
69.03433	0.7
70.03748	1.4
71.41164	0.3
72.08145	0.5
77.03912	1.6
84.04510	0.7
85.04817	2.0
85.08471	0.9
86.09689	0.3
91.05472	2.9
95.04961	9.1
102.04674	1.3
103.05458	100.0
104.05007	0.9
104.05788	3.0
105.04517	3.5
113.07932	2.5
116.06203	0.4
129.06998	0.4
130.15968	0.3
131.04918	9.7
131.06000	0.6
131.06898	1.0
131.08514	3.1
131.16255	0.5
132.04445	2.1
132.05283	0.4
132.06541	0.4
132.08070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0698
Annotation	beta-Ketoisocaproic acid
Peak:m/z	Relative Intensity
53.03927	2.8
57.03426	7.4
59.64209	1.7
70.03725	3.7
71.04988	44.8
72.08140	2.2
84.04483	2.1
85.08480	3.3
86.09695	6.3
91.05471	100.0
92.05797	3.7
95.04967	9.8
103.05455	69.5
104.04993	18.1
104.05682	2.7
105.04527	4.1
113.07943	9.7
115.05441	10.7
116.06240	24.4
129.07001	16.1
131.04915	13.8
131.05809	2.1
131.07031	9.9
131.08548	85.4
132.04439	30.8
132.06522	4.5
132.08018	2.4
132.08919	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	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03930	0.8
54.37710	0.5
57.03419	1.2
57.23820	0.5
65.03913	0.9
69.03428	0.6
72.08129	0.7
86.09681	0.7
91.05464	100.0
92.05798	2.8
97.35033	0.5
103.05453	3.9
105.07021	0.6
105.69082	0.5
109.06512	0.8
113.07951	1.2
115.05421	6.3
116.06216	23.0
117.06527	0.9
121.54828	0.5
128.06201	2.1
128.73306	0.5
129.06984	15.3
130.07289	1.2
131.06880	2.6
131.08540	86.0
132.06586	0.9
132.08023	0.7
132.08853	4.1
133.06453	0.8
143.06053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
51.02376	1.3
51.93530	0.2
53.03945	2.3
55.01865	0.5
56.05016	0.9
57.03432	1.5
65.85362	0.2
68.05035	0.4
69.03429	0.6
69.07075	0.4
71.43511	0.2
72.04507	0.3
72.93784	0.9
77.03915	4.2
78.03457	0.4
79.05475	0.3
84.04492	0.6
86.06075	0.3
86.09691	1.3
90.90385	1.1
90.94827	0.6
91.05486	0.9
92.05807	0.4
93.07016	0.3
95.04958	15.8
96.04481	2.0
96.05252	0.5
97.02876	0.3
99.40990	0.2
103.05448	0.4
104.04980	72.4
105.03394	7.3
105.04505	5.0
105.05306	1.7
105.07006	2.8
112.75338	0.2
114.05513	0.4
114.08266	0.2
115.03913	0.3
117.05741	0.3
119.40184	0.2
131.08601	0.3
132.04434	100.0
133.02843	4.3
133.04773	2.9
133.06413	0.4
133.07588	0.3
133.10130	1.5
150.96875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01599	0.5
51.02386	1.5
52.69172	0.3
53.03941	2.8
55.01856	0.4
56.05030	1.2
57.03428	3.2
58.02965	0.3
58.06606	0.4
60.50161	0.3
68.05014	0.6
69.03421	1.0
69.07054	0.4
72.04508	0.5
72.93787	2.6
74.02428	1.3
76.51861	0.3
77.03924	4.7
78.03442	0.3
78.53822	0.3
84.04498	0.9
86.06047	0.6
86.09683	2.4
87.04461	0.4
90.90366	3.2
90.94824	1.1
91.05466	1.1
92.05807	0.3
95.04960	16.7
96.04487	1.9
96.05296	0.3
97.02885	0.4
103.05497	0.5
104.04981	73.9
105.03389	12.4
105.04503	7.6
105.05299	1.5
105.07012	2.8
107.95049	0.4
114.05508	0.4
114.71835	0.3
132.04437	100.0
133.01897	0.4
133.02850	5.6
133.04788	3.3
133.06487	1.2
133.07628	0.8
133.10100	0.7
149.94049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01583	0.4
51.02378	0.8
52.02036	0.2
53.03940	1.7
56.05026	0.2
57.03430	0.8
72.04514	0.2
77.03919	3.3
78.03422	0.3
81.03382	0.3
86.09686	1.0
91.05486	0.3
95.04953	11.9
96.04475	1.3
96.05276	0.3
104.04976	66.5
105.03398	3.4
105.04500	5.1
105.05309	1.6
105.07027	1.0
114.05509	0.2
130.04022	0.2
132.04430	100.0
133.02831	0.4
133.04779	3.4
133.06396	0.4
133.07564	0.3
133.10138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02363	1.0
53.03921	2.4
56.05012	3.2
57.02756	0.7
57.03432	6.4
58.02971	0.7
68.04998	1.2
69.43861	0.7
71.55476	0.7
72.04483	1.1
77.03905	3.1
84.04479	1.9
86.06055	1.6
86.09682	2.6
87.04466	0.8
90.90356	1.3
91.05438	1.2
95.04958	13.8
96.04482	1.7
104.04977	64.6
105.03389	4.0
105.04503	4.6
105.05277	2.1
105.06990	3.1
108.22871	0.7
110.06103	0.6
117.05741	0.9
132.04430	100.0
132.06500	7.2
132.08060	1.8
133.02826	1.5
133.04752	3.7
133.06511	0.9
133.07581	2.9
133.10147	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0443
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02362	0.9
53.03930	1.7
56.05029	0.8
57.03431	3.6
58.02951	0.6
67.83404	0.4
69.03439	0.6
69.07034	0.5
71.63477	0.4
72.93770	1.2
77.03902	2.6
78.03431	1.8
84.04478	0.6
86.09683	1.7
87.55232	0.4
90.90379	1.1
91.05470	1.3
94.55173	0.4
95.04959	8.0
96.04477	17.4
103.05476	0.5
104.04976	51.7
105.03387	6.5
105.04508	3.6
105.05229	1.0
105.07004	3.4
106.45438	0.4
114.05521	0.7
117.05757	0.6
124.03917	2.7
130.54272	0.4
132.04430	100.0
133.02864	2.8
133.04710	2.1
133.06480	1.0
133.07524	0.6
133.10130	1.3
144.58694	0.4
151.79852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.72331	0.4
69.03410	1.4
69.07056	10.6
70.39260	0.9
73.02895	0.5
74.02459	0.5
81.29220	0.4
86.09693	100.0
87.10018	2.0
95.04945	1.6
97.02883	0.9
104.04997	2.6
105.04507	0.8
132.04419	1.1
132.10182	0.6
149.01334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.2
51.02382	6.0
53.03944	8.4
55.01868	1.5
55.05518	2.1
55.11140	0.7
61.53794	0.7
65.64730	0.8
67.05492	1.6
69.59424	3.0
74.02444	1.1
77.03922	19.4
79.05473	7.8
81.03415	1.4
91.05468	13.5
93.07045	1.7
95.04958	43.3
98.22758	1.8
103.05457	4.9
105.03384	100.0
105.04432	15.7
105.07016	50.4
106.03722	3.3
106.07299	0.9
115.05446	2.3
117.07010	2.2
118.07789	1.8
131.08542	2.7
133.02834	56.3
133.06499	12.6
133.07579	2.3
133.10115	15.1
134.03166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.4
51.02374	6.4
53.03942	9.6
55.01865	2.8
55.05494	1.3
65.03925	1.6
67.05505	1.6
71.42146	0.7
74.02441	2.6
77.03920	20.4
78.40999	0.8
79.05486	19.3
87.05559	0.8
90.04688	0.8
91.05469	13.4
91.05995	1.2
93.07030	1.6
95.04958	51.8
96.05299	1.2
103.05451	11.0
105.03386	100.0
105.04454	23.4
105.07017	74.8
106.03695	1.6
106.06548	2.7
106.07319	1.8
115.05441	3.5
117.06976	2.0
118.04175	1.1
118.05294	0.8
118.07793	2.6
131.08585	4.1
133.02838	55.9
133.05264	5.7
133.06477	59.5
133.07553	5.7
133.09175	1.4
133.10114	23.2
134.03162	1.7
134.05942	1.2
134.06876	1.6
145.74275	0.7
147.77435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.8
51.02370	5.9
53.03942	8.3
55.01871	1.0
64.18929	0.4
67.05500	1.4
69.03423	0.4
74.02428	2.4
75.95895	0.4
77.03925	19.9
79.05492	1.0
80.18039	0.4
81.03408	1.0
91.05466	1.6
95.04961	46.7
96.05327	0.9
98.22686	1.7
105.03384	100.0
105.04445	18.6
105.07014	5.9
106.03696	2.6
106.04825	0.5
106.06544	0.9
133.02840	66.3
133.06485	1.6
133.07590	2.0
133.10120	1.6
134.03168	2.0
134.05988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.2
51.02366	6.7
53.03939	7.4
55.05488	1.3
67.05505	1.1
69.61410	3.2
72.60409	0.8
77.03921	16.9
79.05493	5.7
87.62544	0.8
91.05466	11.2
93.07049	2.1
95.04955	38.9
96.05293	1.4
103.05458	3.2
103.26273	0.7
105.03380	100.0
105.04502	16.2
105.05302	3.8
105.07013	39.9
106.03677	1.8
106.06523	1.5
115.05405	4.1
117.07005	2.0
118.04141	0.8
118.07791	1.6
131.08568	3.1
133.02832	58.0
133.04750	8.8
133.06476	7.8
133.07545	2.3
133.10100	25.3
134.03142	1.1
134.06027	1.0
134.18265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.8
51.22287	1.7
53.03928	5.1
55.01854	2.7
57.03432	8.6
66.36828	1.6
68.67645	1.5
69.03424	13.2
69.91460	1.6
71.44071	1.6
75.04472	3.2
77.03925	9.8
79.05042	2.3
79.05470	15.5
83.27551	1.5
85.02886	7.9
87.04417	1.5
91.05470	30.0
93.07050	2.6
95.04954	23.7
97.02875	3.2
103.05440	8.9
105.03382	32.3
105.04478	9.3
105.07013	100.0
106.06557	3.2
106.07341	1.4
115.03925	2.0
115.05431	8.2
117.07024	5.6
118.07772	7.0
121.02287	1.4
131.08565	8.1
133.02844	26.2
133.06479	18.6
133.07585	8.6
133.10109	64.2
134.06007	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	133.0495
Annotation	2-(Hydroxymethyl)-4-oxobutanoate
Peak:m/z	Relative Intensity
55.01868	6.4
56.87280	0.6
57.03415	1.0
59.04991	1.4
60.04525	1.2
60.92137	0.6
61.01145	2.3
62.29404	0.7
69.03422	64.6
69.07138	3.8
70.02946	7.5
70.03757	1.1
70.06577	2.0
71.01347	13.9
71.04989	0.9
72.08147	1.2
73.02490	0.7
73.02910	24.0
74.02435	100.0
74.06057	1.1
75.02739	1.4
79.05488	1.7
80.93967	0.6
85.02938	0.8
85.04837	0.6
87.02664	3.5
87.04465	2.9
87.05583	30.6
88.03992	8.5
89.02385	3.6
89.69051	0.6
90.09233	0.8
90.87170	0.7
91.05475	1.1
94.12024	0.6
95.04966	1.7
97.02883	46.8
98.02416	0.7
98.03259	1.2
98.06034	2.2
102.09187	0.9
105.03386	2.5
105.04519	0.7
105.07030	2.6
106.06552	4.9
115.03912	10.9
116.03446	7.6
133.02991	0.8
133.05028	1.4
133.06100	3.1
133.07628	2.8
133.10109	1.1
134.06004	2.4
134.11797	2.0
145.31168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	2-(Hydroxymethyl)-4-oxobutanoate
Peak:m/z	Relative Intensity
50.01599	0.6
51.02380	0.9
53.03942	2.8
54.04271	0.5
55.01866	11.6
56.05026	0.5
56.96554	1.4
57.03421	3.1
58.99593	2.0
59.04992	3.5
59.96712	0.4
60.04507	0.4
61.00824	0.6
61.01142	10.8
61.78118	0.3
69.03421	100.0
69.07063	1.8
70.02950	1.5
70.03752	1.2
70.06572	1.1
70.07391	4.4
71.01346	20.5
72.00343	0.3
72.08152	0.9
73.02908	32.3
74.02434	19.6
74.06074	0.8
74.15145	0.3
74.99048	0.7
75.02700	0.6
77.00601	0.7
77.03915	2.6
78.04269	0.4
79.01839	0.4
79.05483	5.2
83.01337	0.8
85.01122	1.4
85.02900	3.0
86.09696	5.4
87.02682	12.6
87.04457	8.7
87.05580	6.1
87.09441	1.1
87.10021	19.8
88.03972	2.1
89.02381	5.7
90.09179	1.1
91.02162	0.7
91.05468	1.0
95.04959	7.6
95.05473	0.3
96.05290	2.5
97.02881	71.5
98.03210	0.7
98.06041	0.5
103.02401	0.5
103.05497	0.3
104.04988	0.8
105.00088	0.7
105.03378	14.0
105.04509	3.7
105.05319	3.6
105.07013	1.7
106.03716	0.7
106.04853	1.1
106.06541	12.9
107.04939	1.4
115.03915	29.5
116.03433	1.9
116.04178	0.4
119.17318	0.3
133.02823	10.2
133.04910	3.6
133.06075	0.7
133.07556	2.0
133.10124	0.6
134.03200	0.4
134.05997	4.7
134.11769	1.9
147.05005	0.4
149.92680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0495
Annotation	(4S)-4-hydroxy-2-oxovaleric acid
Peak:m/z	Relative Intensity
51.02379	2.9
53.03935	10.0
53.47241	2.2
55.01865	40.2
57.03413	3.3
58.12621	2.1
59.04988	12.3
69.03419	50.7
69.11725	7.6
69.12149	7.9
72.30329	2.0
73.02918	10.8
77.03927	4.8
79.05478	7.6
80.09161	2.2
87.04457	29.9
91.05456	4.7
95.04944	14.2
97.02878	40.4
98.02499	2.6
105.03389	22.6
105.04500	3.0
105.07007	20.8
106.06539	5.8
114.20004	2.0
115.03109	5.5
115.03918	100.0
118.28763	2.0
133.02817	11.9
133.06650	2.9
133.07576	12.1
133.10112	9.4
134.06064	2.8
137.22226	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	133.0606
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
50.40737	0.6
55.01856	1.9
56.05024	0.7
59.04991	0.8
59.14512	0.6
60.04515	1.2
61.01132	1.8
65.33130	0.6
69.03416	22.9
70.02940	7.7
70.06576	4.0
71.01345	5.2
71.04971	1.2
71.19026	0.7
72.08134	2.3
73.02906	8.3
73.51897	0.6
74.02425	100.0
75.02725	1.1
87.02673	1.7
87.04476	0.9
87.05574	30.1
88.03976	8.2
88.07581	0.6
89.02372	0.9
90.09176	1.6
91.05457	1.0
97.02872	16.0
98.02441	0.9
98.03217	0.8
98.06056	1.8
102.09131	1.4
105.07027	1.2
106.06522	0.7
106.88420	0.8
115.03896	1.8
116.03418	7.0
117.60587	0.6
133.05164	0.7
133.06099	2.4
133.07631	1.0
134.05945	1.1
134.11734	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01578	0.7
50.34662	0.4
51.02370	3.9
53.03936	4.6
55.01867	5.2
55.05496	1.2
60.86013	0.4
64.80827	0.4
65.03940	1.2
67.05486	0.8
67.91740	0.4
69.03432	0.6
69.44504	1.9
73.02946	0.4
74.02420	0.8
77.03497	0.7
77.03921	9.5
78.04263	0.5
79.05486	24.5
80.05819	0.5
81.03375	0.4
90.04682	0.5
91.05471	10.4
92.05792	0.6
93.07021	1.0
95.04961	25.5
96.05269	0.9
98.23465	0.8
103.05457	15.1
104.05804	0.7
105.03388	40.5
105.04474	11.1
105.07018	100.0
106.03712	1.1
106.06598	0.9
106.07342	3.9
107.04928	0.6
115.05456	4.2
117.07001	1.4
118.04115	0.8
118.07791	1.6
123.60558	0.5
131.04869	1.1
131.08551	2.9
132.63010	0.4
133.02840	26.6
133.06479	39.6
133.07460	1.4
133.10104	12.7
134.03157	0.9
134.05965	1.2
134.06863	1.5
134.10429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1008
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05517	1.2
64.29577	0.9
65.03922	2.1
70.43401	1.0
71.45155	0.8
79.05470	4.8
87.20449	0.8
91.05468	100.0
92.05804	2.9
95.04968	1.6
97.26475	0.8
102.70781	0.9
103.05466	2.7
104.06238	18.0
105.07019	24.7
106.06594	2.2
106.07328	0.9
117.07024	1.1
118.07793	1.0
120.97128	0.9
132.90524	1.2
133.06648	1.7
133.07623	8.9
133.10097	12.2
134.06049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
53.03925	1.8
55.05501	4.2
65.03945	1.0
67.05492	1.2
69.03394	1.0
70.59110	1.4
74.37692	0.7
77.03918	4.8
79.05487	13.9
91.05466	33.2
93.07039	8.1
95.04965	9.2
100.83113	0.7
103.05453	6.2
105.03389	14.0
105.04477	3.8
105.07014	100.0
106.06582	1.4
106.07352	3.0
107.08599	1.8
115.05450	8.5
116.06245	1.6
117.07004	12.3
118.07793	10.4
131.08537	12.5
133.02850	7.2
133.05199	6.7
133.06470	5.8
133.10109	96.8
134.10449	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02377	0.8
52.21540	0.4
53.03936	1.1
54.56389	0.4
55.01861	0.8
55.05506	2.7
55.14563	0.4
57.47361	0.4
65.03926	0.6
67.05488	0.7
67.34702	0.4
76.03927	0.4
77.03905	2.2
79.05482	11.2
91.05470	22.2
92.05788	0.6
93.07040	5.9
95.04948	4.4
103.05460	5.8
105.03358	1.0
105.04508	1.3
105.07018	72.5
106.06649	0.7
106.07361	2.4
107.08598	1.4
115.05452	7.5
116.06238	1.6
117.07004	8.8
117.58198	0.4
118.07790	10.3
129.06978	0.8
131.08554	8.9
133.02853	2.0
133.06511	6.1
133.10112	100.0
134.05988	0.7
134.10457	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03939	1.1
55.05514	2.6
65.03921	0.6
67.05494	0.8
69.21786	1.5
77.03912	1.5
79.05481	8.4
85.82582	0.4
91.05470	23.8
92.05783	0.6
93.07029	6.3
95.04950	3.9
103.05453	4.7
104.06235	0.4
105.03397	2.0
105.04520	1.2
105.07015	62.3
106.06636	0.5
106.07362	1.6
107.08584	1.4
115.05442	8.0
116.06226	1.7
117.06998	8.9
118.07790	9.5
131.08549	8.2
131.09456	0.7
133.02840	1.4
133.06470	1.7
133.10109	100.0
134.05971	0.8
134.10452	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05511	2.2
57.69626	0.4
65.03909	0.6
67.05487	1.0
70.73105	0.8
76.90242	0.4
77.03922	1.8
79.05480	7.8
91.05469	23.3
92.05785	0.5
93.07032	6.4
95.04967	2.6
96.26354	0.5
101.54291	0.4
103.05439	5.6
105.03410	0.7
105.04522	1.2
105.07016	61.1
106.07356	1.3
107.08569	1.7
115.05441	7.3
116.06196	1.6
117.07011	10.0
118.07795	10.1
129.06996	0.5
131.08548	8.8
133.10110	100.0
134.10457	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.57096	0.3
51.02373	0.8
53.03937	1.0
54.62452	0.3
55.01858	0.4
55.05512	3.3
65.03922	0.4
67.05484	0.9
69.58117	1.3
71.54758	0.3
74.02429	0.5
77.03912	2.4
79.05484	7.5
87.05592	0.4
91.05466	23.0
92.05762	0.3
92.06266	0.6
93.07029	6.9
95.04954	4.3
98.23413	0.4
103.05453	4.4
105.03399	4.2
105.04536	1.9
105.07013	62.6
106.06529	1.4
106.07348	1.7
107.08567	1.6
115.05434	7.6
116.06227	1.3
117.07003	9.0
118.04138	0.5
118.07790	9.0
129.06998	1.1
131.08551	7.6
132.08908	0.4
133.02840	3.3
133.06474	2.3
133.10107	100.0
134.05991	0.8
134.10449	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02366	0.4
53.03934	0.6
55.05499	2.7
65.03922	0.7
65.82056	0.3
67.05504	1.3
70.94781	0.4
77.03920	1.2
78.04695	0.4
79.05479	7.6
90.04726	0.4
91.05469	27.3
92.05799	0.6
93.07031	6.4
95.04952	3.5
103.05457	4.4
105.03400	1.9
105.04513	1.2
105.07014	76.3
106.06618	0.6
106.07288	2.0
107.08567	1.3
115.05439	7.3
116.06203	1.0
117.07000	8.2
118.07792	8.1
119.08123	0.3
129.07005	0.6
131.08546	8.9
133.02818	1.4
133.06607	2.4
133.10109	100.0
134.05983	0.5
134.10429	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02372	0.5
53.03930	0.8
55.05505	1.4
65.03926	0.6
67.05484	0.9
69.03428	0.7
70.41331	1.2
77.03934	1.5
79.05476	6.0
91.05466	23.4
92.05804	0.6
93.07036	2.7
95.04946	3.3
96.52689	0.5
96.55658	0.5
97.02869	0.5
103.05449	3.1
105.03379	3.0
105.04487	1.6
105.07012	100.0
106.06561	1.4
106.07342	2.5
107.08562	0.6
115.05466	2.3
116.06325	0.6
117.07001	3.7
118.07810	3.4
120.10528	0.5
129.07028	0.6
131.08549	5.4
133.02847	2.1
133.04840	1.0
133.06468	3.3
133.07593	3.3
133.10107	48.9
134.06032	1.4
134.07080	0.7
134.10461	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05501	2.4
67.05500	1.2
68.39145	0.8
75.06421	0.6
79.05486	5.0
91.05465	16.4
93.07055	0.9
95.04953	2.1
103.05447	2.6
105.07014	100.0
106.06558	1.3
106.07337	3.8
115.05421	1.3
131.08530	4.0
133.02792	0.8
133.06483	4.9
133.07594	6.9
133.10100	22.8
134.05977	2.2
134.09616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.01579	0.7
51.02364	2.4
53.03937	3.4
55.01851	1.4
55.05498	3.0
65.03917	1.6
67.05482	2.0
69.03421	0.8
71.42862	0.5
74.02415	1.9
77.03921	6.4
78.04678	0.9
78.48118	0.6
79.05480	19.2
80.05813	0.5
87.05589	0.6
90.04718	0.6
91.05467	34.1
92.05779	0.6
93.07037	3.6
94.81332	0.5
95.04955	21.9
96.05309	0.7
103.05455	11.0
103.46233	0.5
104.06267	0.7
105.03381	34.3
105.04465	9.1
105.07012	100.0
106.03696	1.9
106.06648	0.9
106.07347	4.1
107.08587	1.7
115.05453	7.3
116.06226	0.9
117.07008	4.9
118.04117	1.3
118.07782	7.4
131.08553	6.8
133.02840	17.3
133.05243	3.9
133.06474	46.7
133.10106	72.3
134.03166	1.1
134.05945	1.4
134.06816	1.2
134.10439	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	134.0601
Annotation	p-Tolyl isocyanate
Peak:m/z	Relative Intensity
51.69696	0.8
53.03941	4.6
56.05016	1.8
58.87597	0.9
59.99110	6.1
64.14342	0.7
65.03925	1.3
66.04716	1.1
69.90567	2.0
74.02423	5.9
77.03924	3.9
78.00121	1.3
78.04706	0.9
79.05486	100.0
80.04998	0.7
80.05815	1.8
88.02199	8.6
88.03957	3.6
89.03888	2.6
91.05471	6.8
92.89999	1.4
94.04178	1.1
95.04961	23.6
96.04430	1.5
96.05293	0.9
97.73100	0.9
104.04989	7.7
105.04503	9.6
106.03230	2.7
106.06547	62.7
107.04944	26.9
107.06862	2.0
116.04938	9.9
117.99193	1.0
132.31731	0.7
134.06001	62.7
134.09560	1.5
135.04359	8.6
135.05458	1.9
135.06366	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	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02371	1.2
52.36775	0.8
53.03930	3.4
63.02369	4.3
65.03938	1.4
69.90857	2.3
77.03902	3.4
79.05479	41.7
79.05944	2.0
81.18441	0.8
89.03903	100.0
90.04237	1.5
91.05452	3.6
93.07030	2.1
95.04945	15.7
105.04506	6.4
105.06969	1.2
107.04935	27.6
107.08576	3.6
109.01094	2.3
109.63615	0.8
117.03362	32.6
118.03707	0.9
118.06451	0.9
118.97479	0.8
119.03576	1.0
130.82304	0.8
135.04391	65.3
135.08011	2.2
135.09010	0.9
135.11690	1.2
136.01147	1.7
136.02145	26.5
136.04805	0.9
136.06157	7.9
136.07544	1.4
137.04578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.41790	0.6
53.03941	1.7
55.01870	1.3
55.05499	1.7
56.97859	0.6
65.03931	6.2
67.05496	2.9
69.03423	1.5
69.29845	2.5
77.03918	1.6
79.05484	28.0
81.07053	1.4
89.03899	1.9
91.05469	100.0
92.05782	2.3
92.06283	1.6
93.06455	0.7
93.07037	14.1
95.04955	7.5
98.22689	1.3
103.05473	1.3
105.04517	2.4
105.07020	26.3
107.04962	6.1
107.08582	56.4
108.08128	0.9
108.08901	2.4
109.01083	1.1
109.06506	15.7
115.05444	57.9
116.06225	3.0
117.03342	1.2
117.07005	31.4
119.06059	8.0
119.08562	3.0
120.05701	3.0
133.06517	1.6
135.04433	2.3
135.08038	64.7
135.11650	5.1
136.02144	17.8
136.06181	2.1
136.07552	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03934	3.4
55.01865	1.1
55.05287	1.0
55.05506	8.7
55.33821	1.1
65.03939	7.3
66.39629	1.1
67.05497	5.8
67.63058	1.0
69.07041	3.7
69.39570	5.1
72.63985	0.9
77.03925	3.1
79.05487	45.7
80.05016	2.1
80.05785	1.4
81.07032	4.1
89.03902	10.1
91.05472	100.0
92.05781	2.2
92.06289	2.2
93.05778	2.7
93.06439	2.0
93.07034	39.8
94.02947	1.6
94.06561	1.2
95.04963	16.9
98.23473	1.7
98.74878	0.8
103.05430	1.4
105.04520	5.6
105.06340	1.8
105.07016	27.7
107.04951	10.5
107.06074	1.5
107.08582	86.1
108.04459	1.7
108.08086	2.5
108.08906	2.8
109.01099	6.5
109.06504	15.0
115.04633	2.0
115.05444	38.4
116.06236	1.8
117.03319	1.9
117.07004	21.0
118.07330	1.6
119.06055	10.0
119.08575	11.6
120.05715	2.2
120.09330	4.0
121.05251	1.4
133.10202	1.1
135.04391	8.9
135.05525	5.3
135.08040	52.5
135.10779	0.8
135.11670	20.4
136.02147	95.1
136.03894	4.9
136.06151	15.6
136.07433	6.1
136.08453	1.4
137.04585	1.7
147.09050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.55850	0.7
51.60624	0.9
53.03941	4.1
55.01852	2.3
55.05505	10.2
65.03922	3.7
67.05492	28.9
69.07060	8.5
70.64452	1.4
77.03918	3.8
79.05481	74.1
80.04990	1.1
80.05801	1.9
81.07047	28.5
91.05466	49.2
92.05785	1.6
93.07030	92.2
94.07349	2.4
95.04951	16.1
105.04518	5.8
105.07019	20.8
107.04919	1.9
107.08578	100.0
108.08183	1.2
108.08910	4.6
109.01058	4.1
109.06506	10.0
114.19513	0.9
115.05432	1.0
117.06956	1.0
119.03530	1.9
119.06035	6.4
119.08570	1.2
133.10101	2.3
135.05496	2.0
135.06516	1.0
135.08040	14.4
135.09062	1.8
135.10631	1.7
135.11670	48.2
136.02141	59.3
136.06165	17.5
136.07516	3.1
136.11142	1.8
136.12073	2.2
145.87686	0.9
147.94513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03934	3.1
55.01861	1.8
55.05506	8.2
58.64270	1.3
60.51816	1.2
61.35584	1.4
65.03946	1.9
67.05498	19.9
69.07063	4.3
69.69377	1.9
69.69738	5.6
77.03923	2.5
79.05483	52.2
79.64683	1.3
80.15608	1.4
81.07045	17.9
90.84190	1.5
91.05469	20.5
93.07033	64.8
94.03990	1.5
94.06551	1.7
95.04944	9.8
98.22694	1.7
105.04492	5.7
105.07004	6.2
106.89828	1.5
107.04928	2.7
107.06091	2.5
107.08588	40.1
109.01082	6.0
109.06519	2.2
115.05451	1.9
119.03482	2.7
119.08552	2.7
119.16942	1.4
135.05502	3.8
135.08035	7.6
135.09076	2.6
135.11674	36.4
136.02147	100.0
136.06171	37.8
136.07527	4.5
136.11189	2.8
137.04581	2.1
150.52556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02370	1.2
53.03939	5.2
55.05504	20.3
57.07064	1.1
65.03940	3.2
66.77940	0.9
67.05497	6.5
69.06724	1.3
69.07057	8.0
70.71609	1.6
77.03923	4.1
78.04743	1.2
79.05481	45.0
80.05022	1.1
80.05846	1.9
81.07042	8.1
82.45617	0.9
89.03902	7.7
91.05466	68.6
92.05788	2.2
93.07030	87.4
94.07361	2.6
94.07879	1.7
95.04951	23.0
95.05522	1.8
98.23324	1.1
103.05437	1.6
105.04493	8.0
105.07009	26.4
107.04958	5.8
107.08575	100.0
108.08167	2.0
108.08925	4.4
109.01057	4.9
109.06514	11.8
115.05456	2.9
117.03387	2.5
117.06977	4.7
119.06055	5.7
119.08569	15.3
120.09357	6.4
133.10107	1.5
135.04419	6.6
135.08055	5.3
135.09065	1.4
135.11667	26.7
135.81909	1.0
136.02144	44.3
136.06184	9.9
136.07523	3.6
136.12047	1.4
154.67186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03942	2.5
55.01872	0.6
55.05505	10.1
57.07060	0.9
63.02357	0.7
65.03929	1.6
65.98550	0.6
67.05488	4.0
69.07058	3.5
69.38964	2.6
77.03918	2.4
79.05484	22.8
79.92665	0.6
80.04993	0.6
81.07057	5.1
89.03905	5.6
91.05470	36.5
92.05778	0.9
93.07030	60.5
94.07353	1.9
94.07822	1.7
95.04346	0.6
95.04955	11.5
95.08577	1.1
96.05305	0.7
98.23473	1.0
105.04507	5.3
105.07017	16.0
106.07749	0.7
107.04938	2.5
107.08578	100.0
108.08171	1.2
108.08907	3.8
109.01088	1.0
109.06497	6.2
115.05450	1.2
115.82574	0.5
117.03354	2.4
117.06981	2.0
119.03557	0.5
119.06062	3.8
119.08561	8.8
120.09284	1.7
126.42706	0.6
133.10095	1.1
135.04367	3.8
135.05397	1.0
135.08025	2.3
135.11667	20.2
136.02141	15.3
136.06161	4.5
136.07562	4.2
136.11996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02347	0.8
53.03358	0.6
53.03935	2.1
55.05306	0.5
55.05507	6.6
55.54107	0.6
65.03924	2.5
67.05507	3.8
69.07061	3.2
70.70159	1.0
77.03908	2.5
78.70697	0.8
79.05485	21.4
80.04967	0.8
80.05799	0.9
81.07037	4.6
89.03913	2.5
91.05465	37.2
92.05805	1.4
93.07032	51.6
94.07367	2.0
95.04955	10.1
96.77465	0.6
103.05441	1.0
105.04485	3.2
105.07018	15.8
107.04930	3.3
107.08578	100.0
108.08176	1.0
108.08907	3.3
109.01088	1.2
109.06510	7.7
115.05461	3.0
117.03374	1.5
117.07008	2.7
119.06074	5.6
119.08553	7.1
120.09376	2.3
135.04388	3.7
135.05424	1.1
135.08049	4.2
135.09000	0.8
135.10631	0.8
135.11673	16.5
135.12650	1.2
136.02142	24.2
136.03851	1.5
136.06169	7.2
136.07576	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02359	0.9
53.03614	0.6
53.03931	2.3
55.05508	8.5
57.07089	0.9
65.03938	3.2
67.05491	2.2
69.07050	2.2
70.72979	1.1
77.03925	4.6
77.19461	0.7
79.05487	23.5
80.05811	1.3
81.07052	2.5
81.87506	0.7
88.64537	0.6
91.05470	71.3
92.05809	1.8
93.07036	46.9
94.07344	1.5
95.04958	11.5
95.08617	1.2
103.05475	1.7
104.06157	0.8
105.04508	5.5
105.07023	33.0
106.07803	2.0
106.89919	0.8
107.04955	2.6
107.08584	100.0
108.08891	3.5
109.06513	13.2
115.05479	1.6
117.07008	3.6
119.06056	7.0
119.08565	22.3
120.08694	0.7
120.09382	8.6
133.10117	1.4
133.25282	0.7
135.08046	5.1
135.11681	26.4
136.02168	5.5
136.06207	1.5
136.12010	1.4
137.09628	0.9
147.09209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03935	3.7
54.28498	1.1
55.05507	8.9
57.07059	1.6
58.27479	1.0
65.03921	3.1
67.05485	2.8
69.07069	2.9
69.40313	2.6
69.40715	3.7
74.03313	1.3
77.03915	2.3
79.05489	22.6
81.07021	1.7
81.50318	1.1
89.03909	3.8
91.05473	65.5
92.05775	1.2
93.06436	2.4
93.07034	50.5
93.33625	1.3
95.04960	14.8
103.05473	1.8
105.04505	5.0
105.07021	28.0
106.07833	1.6
107.04978	3.1
107.08582	100.0
108.08896	4.5
109.01072	5.2
109.06509	10.2
115.05453	4.3
117.07024	5.9
119.06087	7.2
119.08565	21.9
120.09364	6.7
133.10063	1.9
135.04430	2.8
135.05498	2.0
135.08057	7.5
135.11685	36.2
136.02147	53.4
136.06174	7.5
136.07542	2.2
136.12035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.74535	0.6
53.03927	2.7
55.05507	8.8
56.19988	0.7
63.34655	0.7
65.03921	2.6
67.05488	2.7
69.07063	2.9
69.77445	1.7
77.03920	1.5
79.05482	21.9
80.04991	1.4
80.20430	0.7
80.27930	0.7
81.07051	4.1
89.03880	1.3
91.05469	46.6
92.05772	1.3
92.95177	0.7
93.07032	43.1
94.04073	0.7
94.07329	1.5
95.04957	12.3
103.05462	1.2
103.83661	0.9
105.04511	4.3
105.07015	22.9
106.07222	0.8
106.07860	0.9
107.04951	1.8
107.08578	100.0
108.08139	1.2
108.08904	2.8
109.01089	3.4
109.06500	8.0
115.05413	2.6
117.06988	2.1
119.06026	6.5
119.08556	8.7
120.09350	3.3
127.03927	0.7
135.04381	2.1
135.05482	2.0
135.08040	3.5
135.09070	1.4
135.11668	16.6
136.02144	56.9
136.03894	2.2
136.06172	8.0
136.07550	3.5
147.09138	0.8
147.48460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
53.04174	0.6
55.01859	1.0
55.05507	6.7
57.07063	1.5
57.46782	0.6
60.80309	0.6
65.03925	2.0
67.05495	2.2
69.07066	3.8
69.23959	1.2
69.24245	3.9
77.03920	1.8
79.05484	18.9
80.04993	0.7
81.07036	2.0
82.94255	0.6
89.03935	0.7
91.05471	46.5
92.05777	1.6
93.07034	50.3
94.07359	1.6
94.07887	0.8
95.04958	10.0
98.22630	0.7
103.05459	1.4
104.06276	0.7
105.04533	3.5
105.07018	19.2
106.07876	0.8
107.04948	2.8
107.08582	100.0
108.08171	1.3
108.08936	3.7
109.01080	1.8
109.06502	8.0
113.33855	0.7
115.05452	1.8
117.07010	2.5
119.03557	0.8
119.06058	5.5
119.08572	13.3
120.09387	3.3
128.37523	0.6
133.10092	1.1
135.04401	1.9
135.05540	2.1
135.08084	6.3
135.09100	1.2
135.11681	21.6
136.02150	28.6
136.03873	1.4
136.06168	8.9
136.07545	2.6
137.09615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03927	1.7
55.01868	1.5
55.05507	6.1
55.57037	0.9
62.01778	0.8
65.03942	1.8
67.05495	2.7
69.07041	1.0
69.21553	5.7
73.80777	0.8
78.04210	0.9
79.05484	16.7
80.05032	1.8
81.07046	2.8
89.03909	1.1
91.05474	26.9
92.05782	1.1
93.07034	28.2
94.06570	1.0
95.04973	10.1
99.25432	0.9
105.04485	3.0
105.07022	10.2
106.06611	0.9
107.04968	3.7
107.06078	1.3
107.08583	42.3
107.31735	0.9
108.04525	1.2
108.08105	1.3
109.01096	6.7
109.06531	4.8
115.05454	1.4
117.07014	2.1
117.56045	0.8
118.06487	1.0
119.03534	3.5
119.06054	3.2
119.08550	5.3
120.09377	1.9
133.59033	1.1
135.04395	3.2
135.05518	2.6
135.08049	4.4
135.09108	1.9
135.11662	12.5
136.02147	100.0
136.06180	31.4
136.07561	4.8
137.04558	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	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
58.69289	0.2
67.02981	0.6
70.72313	0.5
80.04993	0.2
91.05495	0.5
92.02482	0.5
94.04037	3.8
95.04932	0.3
109.01077	0.9
109.05104	1.0
119.03531	11.0
120.03922	0.2
131.01910	0.3
136.02148	9.9
136.06160	100.0
137.02428	0.4
137.04562	6.2
137.05699	0.5
137.06532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91735	0.1
56.96550	0.5
58.99844	0.3
59.13780	0.1
67.02973	0.4
70.68752	0.1
73.76885	0.1
77.03880	0.2
79.01836	0.4
79.05470	0.2
82.04033	0.2
91.05466	1.7
92.02477	0.5
93.05772	0.4
93.26627	0.1
94.04035	3.8
95.04927	0.1
103.45195	0.1
108.08079	0.3
109.01117	0.2
109.05099	0.7
109.06482	0.3
112.05084	0.2
113.00845	0.2
119.03530	10.8
119.04930	0.4
120.03857	0.2
121.05275	0.3
131.01906	0.6
133.86032	0.2
136.02162	2.6
136.06161	100.0
137.04567	6.2
137.06636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04099	0.7
53.03935	1.5
55.01868	1.4
65.03919	2.3
66.04710	4.6
67.05489	4.3
68.05029	1.0
70.13614	1.9
77.03921	0.9
79.05480	16.0
80.04990	3.6
80.05798	1.3
81.03377	1.3
81.07043	10.5
90.04239	2.5
91.05463	12.0
93.05771	30.0
93.07014	1.0
94.04166	8.7
94.06560	1.2
95.04967	5.1
96.04487	1.1
104.04970	6.6
105.04490	2.5
106.06524	1.7
107.04933	2.2
107.07325	1.3
108.04446	1.1
108.05257	0.9
108.08115	8.5
109.01083	9.4
109.06499	18.6
111.06791	1.6
118.06474	0.9
119.03532	2.6
120.04427	7.6
121.05227	59.3
122.03620	9.4
122.06013	1.7
124.96578	0.7
136.02142	100.0
136.06177	22.8
136.07555	73.0
136.11166	2.8
137.02513	4.0
137.05959	26.0
137.07898	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	136.0757
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02359	1.8
51.16365	1.1
53.03944	9.9
55.05488	2.0
65.03934	8.2
66.04694	3.5
67.05492	8.7
70.22993	1.1
70.67992	1.7
77.03912	10.9
78.04703	1.7
79.05477	6.3
80.05009	2.1
80.05805	2.8
81.07046	9.3
91.05474	41.6
92.05766	3.6
93.05786	8.4
93.07030	23.1
94.03637	2.2
94.04179	22.1
94.06578	1.7
94.07346	5.9
95.04960	35.6
95.08585	5.7
101.71146	1.3
105.04509	11.8
105.18390	1.3
106.07309	2.7
107.04927	1.5
107.08569	3.9
108.04473	3.4
108.08094	11.2
108.08916	12.2
109.01090	4.9
109.06518	2.7
120.08890	1.2
122.03628	36.7
126.05493	8.6
128.16428	1.2
136.02148	50.7
136.06194	10.0
136.07559	100.0
136.12047	2.2
137.05965	62.4
137.07820	2.7
137.09605	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0756
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02367	1.7
52.10181	1.0
53.03939	6.2
55.01841	1.3
55.78045	0.9
56.05848	1.1
65.03921	5.5
66.04251	0.9
66.04702	3.8
67.05497	5.7
69.71162	1.7
69.71519	3.2
70.02959	1.0
75.59411	0.9
77.03915	5.5
78.04688	1.0
79.05485	5.8
80.04990	2.7
80.05814	3.6
81.03408	1.3
81.07052	6.7
91.05466	40.0
91.55908	1.0
92.05794	9.8
93.05756	7.1
93.07034	16.4
94.04173	28.0
94.06543	2.0
94.07360	2.6
95.04953	28.1
95.08581	2.8
96.05309	1.2
98.73494	1.1
105.04501	11.6
106.07360	3.2
107.04945	2.0
107.08578	1.5
108.04463	2.0
108.08093	10.7
108.08921	10.0
109.01093	8.5
109.06498	2.9
110.06831	1.1
116.05760	6.6
117.27155	1.0
118.06506	2.4
118.07339	3.4
119.03539	2.4
120.08900	1.0
122.03629	41.7
122.07301	1.3
126.05494	7.5
136.02145	100.0
136.03882	3.0
136.06175	16.7
136.07556	68.1
136.08374	5.5
136.11159	1.2
136.12091	1.1
137.02516	4.7
137.05957	70.9
137.09575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02386	0.6
51.11708	0.5
53.03942	1.6
55.01870	2.4
55.05509	1.7
59.92110	0.5
65.03931	2.5
66.04711	6.4
67.05496	10.3
69.03422	1.0
69.07061	0.6
69.12024	1.9
69.12448	1.3
75.18752	0.5
77.03928	1.9
79.05480	9.4
81.03410	1.1
81.07047	9.4
91.05466	13.6
92.04995	0.5
93.07047	2.0
94.04176	47.3
95.04475	0.4
95.04973	6.1
95.08596	4.0
98.22684	0.9
99.98032	0.5
105.03389	0.9
105.04503	1.6
107.04948	5.0
107.08569	1.0
109.06509	9.6
109.10147	6.7
110.82234	0.5
119.04945	0.7
119.06051	0.9
119.08572	2.0
121.06517	1.5
122.03634	71.5
122.07269	12.2
122.08131	0.9
123.03979	2.0
137.02509	3.8
137.05959	100.0
137.09584	13.2
137.10645	1.2
137.33366	0.5
138.01744	1.3
138.05382	0.9
138.06372	2.7
138.09169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01595	0.3
51.02372	0.7
52.57476	0.3
53.03948	1.0
55.01868	0.8
65.03925	1.7
66.04713	8.5
66.89879	0.3
67.05504	0.7
69.03421	0.4
75.21609	0.2
77.03920	1.6
79.05476	4.7
81.07063	1.7
91.05465	3.6
94.04169	57.3
95.04466	0.8
95.05021	1.6
105.03368	0.8
105.04506	0.9
107.04942	2.1
109.06487	0.7
122.03625	71.5
123.03936	1.8
135.04395	0.7
137.05951	100.0
138.05389	0.4
138.06300	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02368	0.5
53.03935	0.9
55.01863	0.8
55.05507	2.1
57.07075	0.6
65.03937	2.4
66.04719	6.5
67.05501	12.7
69.03405	1.0
69.07054	1.0
69.81097	0.8
74.54015	0.4
77.03909	1.2
79.05485	8.5
81.03411	1.2
81.07053	11.9
83.04979	0.8
91.05473	10.8
91.06051	0.5
92.05828	0.4
93.07045	2.3
94.04179	46.5
95.04985	4.8
95.08597	9.2
95.09209	0.5
105.03393	0.9
105.04494	1.5
107.04949	6.5
107.08595	0.7
108.05727	0.5
108.06859	0.4
109.06512	9.2
109.07621	0.6
109.10151	8.9
117.07030	0.9
119.04984	0.7
119.06065	1.2
119.08562	3.2
121.06470	2.0
122.03636	68.1
122.07271	14.0
123.03970	1.5
135.04381	0.8
135.08058	0.7
135.36542	0.4
137.02515	2.2
137.05965	100.0
137.09590	17.0
137.13217	0.8
138.01723	0.5
138.05434	1.2
138.06319	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02359	0.8
53.03924	1.6
55.01853	1.5
55.05492	1.5
57.07069	0.7
57.38857	0.6
65.03928	3.1
66.04715	6.5
67.05490	14.5
69.03406	1.2
69.07035	0.8
69.12868	1.9
69.13290	1.9
71.98396	0.6
77.03925	1.6
79.05482	8.4
81.03421	0.9
81.07043	13.3
87.87672	0.6
91.05472	9.4
93.07030	2.4
94.04170	44.6
94.06528	0.7
95.04989	5.1
95.08590	10.7
98.22704	1.3
103.05432	0.8
104.06223	0.6
105.03379	0.8
105.04473	1.2
107.04927	9.0
107.08553	0.9
109.06480	3.5
109.10142	12.5
110.06007	0.8
117.06982	1.1
119.08572	6.0
121.06485	2.2
122.03628	65.0
122.07263	31.9
123.03956	0.9
123.07581	1.3
135.04370	1.0
135.08052	1.3
137.02562	3.0
137.05954	100.0
137.09584	32.4
137.10503	0.9
137.13260	0.6
138.01779	1.0
138.05365	3.2
138.06427	3.5
138.09088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02360	0.6
53.03937	0.9
55.01858	0.8
65.03909	1.6
66.04716	7.9
67.05493	1.3
69.75512	1.7
77.03913	1.3
77.10039	0.5
79.05484	4.8
81.07027	2.6
91.05461	5.6
94.04172	50.9
95.04423	0.9
95.04943	2.6
98.22802	0.9
105.03374	0.9
107.04925	2.0
108.06820	0.7
109.06506	1.4
109.07594	1.0
110.05954	1.0
119.04968	0.6
122.03626	71.8
123.03947	2.4
135.04431	0.9
137.02522	3.7
137.05951	100.0
138.01715	0.9
138.05389	1.3
138.06319	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.8
53.03942	0.9
55.01867	0.9
55.05503	1.5
56.18344	0.4
57.07057	0.5
65.03934	2.2
66.04713	5.3
67.05495	14.3
69.03422	0.8
69.07049	0.8
77.03909	1.6
77.44286	0.4
78.10966	0.3
79.05479	6.3
81.03400	0.7
81.07045	9.8
81.07499	0.7
91.05462	7.7
93.07043	2.0
94.04173	44.4
94.07826	0.7
95.04479	0.8
95.04989	3.3
95.08591	8.5
103.05444	0.4
104.06218	0.4
105.03353	1.1
105.04501	1.4
107.04932	8.7
107.08587	0.6
109.06490	1.9
109.10142	12.5
110.05996	0.8
110.10446	0.4
111.68720	0.4
117.06985	0.6
119.06010	0.4
119.08558	5.3
121.06475	3.1
122.03628	63.0
122.07264	29.4
123.03949	2.2
135.04393	1.0
135.08026	1.4
137.02563	2.3
137.05956	100.0
137.09583	26.5
138.01691	0.7
138.05409	3.2
138.06377	2.2
138.09944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.02368	0.4
53.03939	1.0
55.01863	0.9
65.03941	2.3
66.04712	8.6
67.05506	1.5
68.89106	0.5
69.59570	0.4
69.59899	1.4
73.90714	0.4
77.03890	0.6
79.05483	6.3
81.03423	0.7
81.07045	5.2
91.05466	6.1
92.05812	0.5
94.04176	49.9
95.04445	0.9
95.04961	2.4
95.08588	0.7
105.03393	0.4
105.04491	1.1
107.04924	1.9
109.06471	3.2
109.10165	0.7
122.03629	66.4
123.03964	1.7
135.04390	0.5
137.05956	100.0
138.05443	1.6
138.06390	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03935	2.9
55.01866	34.6
55.05514	4.8
57.07069	1.5
65.03924	4.2
66.04718	6.7
67.05498	26.1
68.05815	0.6
69.03416	2.9
69.07061	2.3
70.97006	1.0
72.38287	0.6
72.84392	0.6
75.04306	0.6
77.03907	1.3
79.05038	1.4
79.05485	27.5
81.03424	1.8
81.07047	55.9
82.07384	1.5
91.05466	13.4
91.64333	0.8
92.04993	0.7
93.07040	4.7
94.04176	49.0
94.06573	1.7
95.04491	0.7
95.04967	7.8
95.08597	21.5
95.68341	0.6
96.05264	0.7
103.05410	0.8
105.04567	1.5
107.04934	7.7
107.08596	1.2
109.06512	10.1
109.07651	1.1
109.10140	15.8
110.06019	2.0
110.06747	0.8
117.06982	0.8
119.08585	4.5
121.06484	1.8
122.03633	60.4
122.07265	21.7
123.03976	2.0
135.04381	0.8
135.08058	1.1
137.02551	4.7
137.05963	100.0
137.09587	29.3
137.13232	1.7
138.01785	1.1
138.05476	10.2
138.06348	2.4
138.09106	1.9
157.22787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01600	0.3
51.02377	0.4
51.86833	0.2
53.03936	1.0
55.01846	0.5
55.05506	0.3
56.25838	0.3
65.03928	1.8
66.04710	6.6
67.05491	2.9
67.41724	0.2
69.03412	0.6
69.07061	0.3
69.78764	0.5
69.79132	0.5
77.03909	1.1
79.05476	4.8
81.03403	0.3
81.07034	4.4
82.06550	0.4
91.05467	4.8
92.04964	0.3
93.07011	0.7
94.04169	46.7
95.04438	0.4
95.04977	2.6
95.08589	2.4
96.04488	0.4
98.22813	0.4
105.03351	1.0
105.04503	0.9
107.04939	1.7
108.04472	0.3
109.06509	1.2
109.07628	0.5
109.10138	1.2
110.01455	0.3
110.06032	0.8
119.08549	0.4
122.03623	66.6
123.03967	1.6
135.04370	1.0
137.02525	3.2
137.05949	100.0
137.09470	1.7
138.01714	0.7
138.05438	3.0
138.06320	2.8
138.09090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03939	0.9
65.03911	2.0
66.04716	8.3
67.05486	3.3
73.93907	0.7
79.05475	5.0
80.04982	0.8
81.07038	3.3
82.06550	0.9
90.60257	0.7
91.05459	7.0
93.07031	1.2
94.04173	46.4
94.38346	0.8
95.04960	2.1
95.06074	0.8
95.08590	1.5
101.57607	0.8
105.04475	1.3
107.04935	1.7
108.06820	1.2
109.06517	1.2
109.07621	2.7
110.06026	2.9
111.70175	0.8
116.79150	0.7
119.04922	1.2
120.04430	1.4
121.06447	1.2
122.03630	67.4
123.03997	1.1
123.06792	1.0
135.04419	1.0
137.02518	7.0
137.05957	100.0
137.07014	6.7
137.09581	1.9
137.10643	1.8
138.01756	2.7
138.05409	1.8
138.06320	3.3
138.09125	1.4
144.04903	0.8
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
51.02367	0.7
53.03930	0.6
55.01865	0.6
56.89026	0.3
60.17820	0.4
64.02238	0.3
65.03931	2.1
66.04713	6.5
67.05485	1.8
69.03422	0.4
71.43324	0.4
77.03913	1.2
79.05484	5.0
80.05061	0.3
81.03401	0.7
81.07046	3.9
82.06587	0.5
86.55994	0.3
91.05474	5.3
94.04176	49.5
94.06549	0.7
95.04443	0.7
95.04996	2.3
95.08598	1.3
105.03374	0.7
105.04505	0.8
107.04926	1.9
108.04459	0.3
108.06860	0.8
109.06492	1.4
109.07581	0.7
110.01432	0.5
110.06055	0.7
119.08568	0.5
120.04472	0.4
121.06515	0.6
122.03632	68.2
123.03999	2.1
135.04391	0.7
137.02542	4.3
137.05962	100.0
137.09578	1.3
138.01733	1.3
138.05447	3.2
138.06339	3.0
138.09064	0.5
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
51.02381	0.6
53.03933	0.4
53.18045	0.3
55.01865	0.6
65.03936	1.7
66.04718	5.4
67.05492	1.8
69.03404	0.5
77.03925	1.1
77.04369	0.3
79.05476	4.8
81.07047	2.2
91.05469	4.8
93.07002	0.5
94.04175	47.2
95.04423	0.5
95.04537	0.5
95.05003	1.7
95.08591	0.8
98.23438	0.7
100.07375	0.3
105.03380	0.6
105.04496	0.7
107.04945	1.6
109.06498	1.2
109.10183	0.5
119.08530	0.5
122.03631	67.2
122.07269	1.0
123.03951	1.7
135.04405	0.5
137.05957	100.0
137.09502	1.7
138.05441	0.7
138.06364	2.4
140.71432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
50.18676	0.5
51.02364	1.0
53.03921	1.4
55.01853	1.0
55.05499	1.6
65.03939	2.9
66.04707	5.2
67.05495	10.9
71.43851	0.5
77.03918	0.9
79.05477	11.9
81.03404	0.8
81.07043	17.6
87.71806	0.5
91.05466	11.3
92.04974	0.7
93.07034	1.4
94.04172	39.3
94.06552	1.7
95.04433	0.7
95.04961	5.6
95.08589	5.2
96.04489	1.4
105.03383	0.9
105.04480	1.1
107.04947	3.3
107.08560	0.8
109.06504	7.2
109.07633	0.9
109.10138	4.1
110.06030	1.7
111.04391	0.5
119.04913	1.5
119.08585	1.4
121.06448	0.5
122.03628	57.6
122.07269	3.7
123.03969	1.6
135.04344	0.5
137.02509	5.2
137.05951	100.0
137.09586	8.2
138.01683	1.1
138.05464	8.2
138.06325	2.2
138.09079	0.9
140.83960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.01593	0.5
51.02360	0.5
52.01151	0.3
53.03943	1.1
53.08350	0.3
55.01865	1.0
55.05507	1.9
55.42910	0.4
55.49512	0.3
57.07063	0.4
61.74535	0.4
65.03930	3.1
65.82422	0.4
66.04719	7.1
66.92402	0.3
67.05495	22.0
69.03419	1.7
69.07056	1.0
77.03918	1.4
79.05482	8.4
79.05939	0.5
80.05015	0.8
81.03426	0.8
81.06564	0.6
81.07044	12.0
82.06564	0.6
91.05471	15.2
93.07034	3.5
94.04173	50.3
94.07803	0.7
95.04508	0.6
95.04978	5.8
95.06075	0.8
95.08591	8.6
96.04454	0.7
103.05453	0.8
104.06236	1.2
105.03384	0.9
105.04510	1.9
107.04939	19.9
107.08566	1.4
108.05259	0.4
108.06819	0.6
109.06506	2.7
109.07651	1.2
109.10139	26.2
110.06017	1.2
110.10492	0.6
117.06991	1.4
119.04909	0.8
119.06070	0.6
119.08563	11.3
120.04479	0.7
121.06493	7.3
122.02706	1.0
122.03630	69.9
122.07269	72.1
123.03990	1.4
123.07616	1.4
135.04346	0.5
135.08049	2.5
137.02525	4.9
137.05959	100.0
137.09590	63.7
138.01758	1.8
138.05452	1.4
138.06374	2.6
138.09940	1.6
139.07506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03957	1.2
55.05488	2.5
65.03923	1.9
66.04707	4.4
67.05494	34.4
69.03393	1.6
71.44386	1.2
77.03917	2.0
78.37733	1.0
79.05476	9.6
81.07042	13.8
89.28280	1.0
91.05467	18.3
93.07013	5.2
94.04172	41.9
95.04948	4.8
95.08588	12.8
103.05489	1.6
105.04491	2.2
107.04935	24.0
107.08568	2.1
109.06485	2.6
109.10145	30.9
117.06988	2.4
119.08555	14.4
121.06509	7.2
122.03631	66.0
122.07268	100.0
123.03931	1.7
123.07584	2.5
132.61382	1.0
135.07996	5.1
137.02454	4.0
137.05957	91.5
137.09593	86.4
137.13152	1.5
138.01735	1.4
138.05383	1.9
138.06313	3.6
138.09973	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.22496	1.2
51.02372	1.7
52.02740	1.1
52.51089	1.1
53.03935	5.3
54.23431	1.0
55.01619	1.3
55.01865	16.9
55.05502	7.8
57.07068	2.4
64.77363	1.5
65.03914	6.2
66.04720	7.8
67.05495	68.6
67.43404	1.2
69.03414	4.8
69.07048	5.1
69.59869	4.4
76.48792	1.5
77.03902	2.6
79.05485	24.2
81.03397	4.0
81.07043	46.7
82.07375	1.3
83.04939	2.0
91.05469	36.2
93.07015	9.5
94.04176	51.4
94.06552	2.5
94.07830	1.7
95.04436	1.6
95.04964	17.8
95.08014	2.2
95.08596	33.0
105.04485	3.5
105.06971	1.6
107.04943	19.8
107.08575	5.0
109.06498	34.5
109.09415	2.4
109.10141	42.1
110.06053	2.2
110.06846	1.3
110.10419	2.2
117.07006	1.8
119.04924	2.0
119.06011	2.1
119.08579	13.5
121.06477	6.9
122.03633	69.2
122.07271	65.6
123.03984	1.5
135.08011	2.0
137.02452	8.8
137.05951	100.0
137.09595	77.5
137.13220	3.1
138.01726	2.2
138.05464	9.3
138.06352	2.2
138.09969	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22496	1.2
51.02372	1.7
52.02740	1.1
52.51089	1.1
53.03935	5.3
54.23431	1.0
55.01619	1.3
55.01865	16.9
55.05502	7.8
57.07068	2.4
64.77363	1.5
65.03914	6.2
66.04720	7.8
67.05495	68.6
67.43404	1.2
69.03414	4.8
69.07048	5.1
69.59869	4.4
76.48792	1.5
77.03902	2.6
79.05485	24.2
81.03397	4.0
81.07043	46.7
82.07375	1.3
83.04939	2.0
91.05469	36.2
93.07015	9.5
94.04176	51.4
94.06552	2.5
94.07830	1.7
95.04436	1.6
95.04964	17.8
95.08014	2.2
95.08596	33.0
105.04485	3.5
105.06971	1.6
107.04943	19.8
107.08575	5.0
109.06498	34.5
109.09415	2.4
109.10141	42.1
110.06053	2.2
110.06846	1.3
110.10419	2.2
117.07006	1.8
119.04924	2.0
119.06011	2.1
119.08579	13.5
121.06477	6.9
122.03633	69.2
122.07271	65.6
123.03984	1.5
135.08011	2.0
137.02452	8.8
137.05951	100.0
137.09595	77.5
137.13220	3.1
138.01726	2.2
138.05464	9.3
138.06352	2.2
138.09969	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02366	1.1
53.03938	4.1
53.28265	0.7
55.01867	6.3
55.05302	0.7
55.05507	7.5
57.03410	0.9
57.07059	1.5
64.54272	0.8
64.71537	0.8
65.03928	7.5
66.04711	5.9
67.05495	72.3
68.05002	0.8
69.03419	5.7
69.07059	5.2
70.73437	1.1
77.03912	2.5
78.67749	0.7
79.05039	1.3
79.05480	23.5
80.04997	0.7
81.03417	5.2
81.07043	48.5
83.04958	2.9
88.45804	0.7
91.05470	41.5
91.06048	2.0
92.05800	2.0
93.07028	9.5
94.04176	41.2
94.06564	1.7
94.07788	1.9
95.04957	21.5
95.08593	26.4
96.04433	0.8
96.05238	0.9
97.06511	0.8
103.05448	2.1
104.06249	1.5
105.03375	1.0
105.04495	2.5
105.06985	1.5
107.04244	1.6
107.04942	28.9
107.08576	5.4
108.05768	1.9
109.06503	49.0
109.10137	52.4
110.06004	2.2
110.06781	1.3
110.10497	0.7
117.07011	3.9
117.86118	0.9
119.04917	2.2
119.06048	3.3
119.08560	18.2
120.08104	0.9
121.06486	8.7
122.03629	49.4
122.07267	89.6
123.03978	1.0
123.07610	1.7
135.08023	4.5
137.02542	5.4
137.03622	1.0
137.04451	1.2
137.05954	90.1
137.09592	100.0
137.13237	2.1
138.01720	1.9
138.05466	6.1
138.06317	1.6
138.09930	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	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.4
51.02383	0.9
53.03934	1.5
55.01862	1.2
55.05260	0.5
55.05505	6.8
57.03426	0.5
57.07077	0.4
65.03927	3.7
66.04713	6.9
67.05495	45.1
68.05833	0.6
69.03414	1.4
69.07047	3.4
69.72475	1.6
77.03915	1.6
79.05482	11.5
81.03403	1.0
81.07046	21.6
83.04967	0.7
91.05466	10.6
92.05760	0.5
93.07033	4.4
94.04174	46.2
94.06523	0.9
95.04971	7.6
95.08015	0.7
95.08599	10.8
105.03331	1.0
105.04478	1.6
107.04932	2.3
107.08563	3.3
109.06497	6.1
109.10139	19.7
110.06017	1.0
110.10484	0.4
117.06997	0.8
119.06078	0.5
119.08575	3.6
120.04584	0.5
121.06429	0.4
122.03629	65.4
122.07265	2.3
123.03976	1.7
135.04372	0.5
137.02429	1.9
137.05956	100.0
137.09578	16.7
137.13234	0.6
138.01759	1.0
138.05371	2.8
138.06377	3.0
138.10031	0.4
148.38196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03935	2.2
55.01836	1.6
55.05261	1.3
55.05505	16.1
65.03925	6.2
66.04704	3.8
67.05494	100.0
68.05809	2.0
68.62097	1.0
69.03404	3.4
69.07060	7.4
71.04943	1.1
71.20369	1.7
77.03921	1.3
78.50581	1.1
79.05476	15.1
80.06268	1.3
81.03440	1.3
81.07044	41.5
83.04955	3.4
88.80064	0.9
89.37663	1.2
91.05466	18.9
93.07030	8.9
93.17398	1.1
94.04170	26.3
94.06577	1.1
95.04413	1.8
95.04957	13.3
95.08590	23.4
96.04488	1.8
105.07002	2.5
105.94722	1.1
107.04895	1.9
107.08572	7.5
109.06495	8.6
109.10136	44.4
110.06012	2.7
117.07019	2.3
119.08591	8.8
122.03632	33.3
122.07265	4.5
137.02495	10.0
137.05954	56.3
137.07011	3.2
137.08574	2.3
137.09592	35.5
137.10600	1.4
137.13254	1.3
138.01753	2.8
138.05453	11.0
138.06325	1.6
141.09686	1.2
152.50294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03935	2.2
55.05507	7.0
57.07071	14.4
65.03938	2.5
66.04726	5.1
67.05500	29.4
67.05862	1.5
69.07063	6.5
78.36596	0.9
79.05488	13.0
80.05772	0.9
81.03409	1.4
81.07050	74.6
82.06582	1.7
82.07394	1.3
88.48015	0.9
89.42291	0.7
91.05472	6.9
93.07046	7.1
94.04181	35.1
95.04961	3.0
95.06106	1.3
95.08598	100.0
96.08911	2.1
98.22585	1.2
105.04482	0.8
107.04972	1.8
108.04472	0.9
108.06838	1.1
109.06521	1.3
109.07620	1.3
109.10152	8.1
110.06001	1.9
120.04436	1.2
121.06490	1.3
122.03635	53.7
123.04007	2.0
135.11691	1.3
137.02530	7.8
137.05965	77.3
137.07019	4.2
137.09613	3.0
137.13248	10.5
138.01743	2.9
138.05460	2.4
138.06348	3.7
153.88179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01853	1.2
55.05490	3.7
57.07067	9.3
61.12810	0.9
65.03927	2.4
66.04718	6.1
67.05495	20.7
67.05825	2.2
68.04994	1.1
69.07050	4.3
71.05026	0.9
79.05477	11.1
80.05018	1.5
81.07045	49.3
82.06568	3.0
91.05480	9.5
93.07053	4.7
94.04171	48.9
94.06553	1.9
95.04442	1.8
95.04951	4.0
95.06075	2.1
95.08592	61.5
96.04441	1.5
96.08897	1.8
98.22598	2.3
105.04452	1.2
106.42204	1.1
107.04943	3.0
107.08560	1.4
108.06844	2.8
109.06492	1.9
109.07637	4.2
109.10151	6.1
110.06036	3.0
119.04912	1.2
120.04443	1.8
121.06496	2.2
122.03630	64.5
123.03938	1.3
137.02501	13.8
137.05956	100.0
137.07024	8.5
137.09569	4.7
137.10704	2.8
137.13225	6.5
138.01741	5.9
138.05438	6.4
138.06357	3.9
138.09166	2.1
146.97293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02364	0.8
53.03940	1.7
55.05506	5.5
57.07067	13.5
58.50409	0.7
60.09407	0.7
60.46958	0.7
65.03913	1.8
66.04702	2.1
66.85924	0.8
67.05495	31.6
68.05011	0.8
69.07061	7.4
69.83963	1.8
69.84328	1.7
70.00788	0.8
71.08627	0.9
74.51398	0.7
79.05479	9.6
80.05025	1.0
81.07047	71.2
82.07371	1.4
91.05453	3.4
92.05025	0.8
93.07025	7.0
94.04180	13.5
95.04958	1.7
95.08593	100.0
96.04433	1.1
96.08920	2.6
107.08567	1.3
108.04443	0.9
108.06837	1.3
108.09324	1.2
109.06512	1.0
109.07634	1.9
109.10134	11.1
110.06025	2.1
119.04932	0.8
120.04430	1.3
121.06502	1.6
122.02785	1.3
122.03628	14.7
135.04431	1.0
137.02516	6.8
137.05956	24.8
137.07068	6.0
137.09660	1.1
137.10713	1.1
137.13232	12.6
138.01752	3.5
138.05460	2.7
138.09106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.18329	0.3
56.14033	0.3
56.49196	0.2
58.67125	0.3
65.03931	1.1
67.05492	1.0
70.95511	0.4
78.03423	0.7
79.04179	0.3
92.04991	5.1
93.05775	0.9
94.06552	20.0
95.04977	0.4
95.06865	0.8
96.04474	3.6
102.71553	0.3
103.02496	0.4
105.04568	0.3
110.06026	15.7
115.02374	0.4
120.04408	0.6
121.02811	1.3
121.06439	0.3
133.03400	1.4
138.01904	2.6
138.05479	100.0
139.04979	0.4
139.05835	3.0
148.67975	0.3
151.04454	0.5
154.04958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03945	0.3
65.03928	1.1
67.05492	1.1
69.03416	0.2
70.14690	0.4
76.85313	0.1
78.03446	0.6
79.04217	0.2
81.86534	0.1
92.04993	5.2
92.05582	0.3
93.05297	0.1
93.05785	1.0
94.06554	18.9
95.04974	0.2
95.06886	0.4
96.04476	3.5
102.43859	0.1
110.06025	13.8
111.06358	0.3
119.01937	0.1
120.04466	0.2
124.61823	0.1
133.03476	0.3
136.03906	0.3
138.05479	100.0
139.05821	2.7
154.04968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03939	3.0
55.01863	8.6
55.05507	3.6
56.96541	1.0
59.05009	0.9
65.03587	1.1
65.03932	17.3
66.04247	0.6
67.01856	6.2
67.05498	9.0
68.99780	14.9
69.03408	2.7
69.87212	1.0
69.87591	1.0
71.01340	2.7
77.03943	0.5
83.04972	8.1
93.03393	13.5
95.04960	4.9
97.02886	3.4
98.97558	3.1
99.00813	0.8
105.04520	0.9
110.71871	0.5
111.04426	25.6
112.04772	0.6
116.98634	2.3
121.02847	2.7
121.03920	0.6
128.13554	0.5
134.99635	0.7
139.03879	100.0
140.04190	3.1
145.31792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
51.29499	0.2
53.03939	0.5
55.01865	1.3
55.05500	0.8
56.96555	4.9
62.38288	0.2
65.03928	13.0
67.01858	1.3
67.05487	1.9
68.99773	2.2
69.03419	1.3
69.07066	0.5
69.36681	1.1
69.52613	0.2
71.01335	0.2
79.05495	0.4
83.04970	1.8
93.03387	6.4
93.07001	0.5
95.04939	1.2
95.08595	0.2
97.02879	0.8
97.06513	0.2
98.97566	14.6
98.98455	0.5
111.04424	9.0
112.07590	0.4
116.97348	0.4
116.98603	10.6
121.02844	100.0
121.03887	5.3
122.03175	2.9
134.99631	4.3
139.03877	21.0
139.05508	0.3
139.12305	0.2
140.00175	0.2
140.04245	0.5
153.00676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	5,6-Dimethyl-5-norbornen-exo-2-ol
Peak:m/z	Relative Intensity
51.96875	1.1
55.01847	1.3
55.05508	9.2
56.96562	33.4
57.03390	1.7
57.07056	4.2
59.04988	8.4
65.03918	1.3
65.63110	1.1
67.05500	4.9
69.03432	10.0
69.07071	8.1
69.69019	3.8
71.04979	1.4
71.95271	2.1
79.05482	10.0
80.55418	1.0
81.07058	6.4
83.04960	8.3
91.05465	3.6
93.07040	21.3
95.04970	4.3
95.06126	1.3
95.08601	19.0
97.06524	18.6
97.10171	1.7
98.23450	1.4
98.97578	100.0
105.04490	1.8
105.07035	8.9
110.07376	1.1
111.04429	1.5
111.08080	3.5
116.98615	72.8
119.08586	1.4
121.10137	29.6
123.08100	1.8
124.04106	1.2
124.08772	1.3
127.84686	1.2
128.29790	1.2
128.76784	1.1
134.99648	34.1
139.03847	7.6
139.05759	1.6
139.07475	1.5
139.08687	1.4
139.11177	29.7
139.12259	1.8
153.00703	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	139.1116
Annotation	5,6-Dimethyl-5-norbornen-exo-2-ol
Peak:m/z	Relative Intensity
53.30072	1.3
55.01873	2.3
55.05505	11.2
56.96560	29.0
57.03436	9.8
57.07068	3.9
59.04996	14.5
63.29714	1.4
65.03925	1.8
65.25652	1.3
67.05492	10.6
69.03425	8.9
69.07059	14.4
71.04352	1.5
71.04978	3.2
77.03896	1.6
79.05484	15.2
81.07042	12.3
83.04566	1.4
83.04980	12.3
85.13913	1.4
91.05473	7.1
93.03450	1.3
93.07036	36.8
95.04964	7.7
95.08591	35.5
96.08858	1.4
97.06514	38.1
97.10205	1.5
98.97571	100.0
100.59336	1.3
105.04494	1.9
105.07009	16.6
109.10168	1.5
110.07323	2.4
111.04446	4.0
111.08063	8.8
116.98606	64.2
119.08556	2.8
121.10120	44.1
122.04044	1.1
122.10439	1.8
123.08054	2.3
124.08848	1.5
134.99641	29.2
139.03894	5.8
139.05821	1.6
139.07588	1.9
139.11159	53.5
139.12238	3.2
140.11531	1.5
153.00754	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	139.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96875	1.1
55.01847	1.3
55.05508	9.2
56.96562	33.4
57.03390	1.7
57.07056	4.2
59.04988	8.4
65.03918	1.3
65.63110	1.1
67.05500	4.9
69.03432	10.0
69.07071	8.1
69.69019	3.8
71.04979	1.4
71.95271	2.1
79.05482	10.0
80.55418	1.0
81.07058	6.4
83.04960	8.3
91.05465	3.6
93.07040	21.3
95.04970	4.3
95.06126	1.3
95.08601	19.0
97.06524	18.6
97.10171	1.7
98.23450	1.4
98.97578	100.0
105.04490	1.8
105.07035	8.9
110.07376	1.1
111.04429	1.5
111.08080	3.5
116.98615	72.8
119.08586	1.4
121.10137	29.6
123.08100	1.8
124.04106	1.2
124.08772	1.3
127.84686	1.2
128.29790	1.2
128.76784	1.1
134.99648	34.1
139.03847	7.6
139.05759	1.6
139.07475	1.5
139.08687	1.4
139.11177	29.7
139.12259	1.8
153.00703	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	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91028	0.5
56.96560	30.4
70.17236	0.5
70.17583	1.1
70.90157	0.5
71.95249	1.7
98.14191	0.5
98.22749	0.7
98.97572	100.0
99.97985	0.6
109.24529	0.6
116.98609	55.5
118.23831	0.6
134.99641	18.2
140.00162	0.8
153.00705	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87733	0.6
54.98634	0.7
56.96558	31.7
57.97359	0.6
59.50697	0.7
70.98804	1.0
71.95248	1.7
98.97569	100.0
99.97933	0.7
116.98603	58.6
134.99643	21.3
140.00153	0.8
151.91852	0.6
153.00694	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	35.1
58.95393	0.6
59.59403	0.5
61.58189	0.5
70.49014	0.6
70.55798	1.3
71.95255	1.7
85.39776	0.6
98.97569	100.0
99.10997	0.6
99.97908	0.7
116.98603	75.8
117.98976	1.0
122.05941	0.7
134.99635	33.0
151.97897	0.7
153.00667	3.7
158.01221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
51.02376	0.5
53.03942	10.4
55.05293	0.5
55.05507	5.2
57.03434	0.6
58.21873	0.4
64.69334	0.4
65.03938	1.2
67.01860	6.7
67.05493	1.4
67.36016	0.4
68.99785	1.9
69.42500	2.1
71.04987	8.0
77.03918	1.0
79.05469	0.7
80.02621	1.2
81.03413	16.6
81.07048	1.4
82.04187	1.1
85.06534	9.4
95.04964	6.7
95.05534	0.7
98.03656	1.3
99.04464	2.1
105.04509	0.6
109.02883	5.6
113.05996	19.2
117.44896	0.5
123.04419	6.1
127.03915	1.7
141.05452	100.0
142.05797	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82550	2.9
69.74039	3.8
70.92230	5.1
76.57389	3.2
87.29178	2.9
97.02934	4.4
101.00866	26.9
110.04676	3.0
118.03521	11.4
119.01091	6.9
119.01910	100.0
126.13480	3.1
127.42347	3.0
136.04524	3.7
137.02954	23.6
142.03470	14.9
143.03362	7.1
160.04515	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92785	4.3
64.60779	3.3
71.19830	3.9
72.52637	3.5
100.02469	4.9
101.00876	34.1
118.03497	10.7
119.01910	100.0
136.04541	11.6
137.02951	20.3
142.03479	24.2
160.04533	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94543	2.9
70.00611	7.5
70.00947	4.3
82.39380	2.9
87.73798	3.1
94.34506	2.8
98.22726	3.6
100.02454	5.1
101.00862	33.4
111.85632	3.1
117.09514	2.8
118.03488	10.0
119.01905	100.0
119.02761	5.4
120.02022	3.0
129.92250	3.1
136.04578	7.6
137.02899	21.7
142.03496	17.1
160.04512	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50928	3.2
60.98662	3.5
62.11446	3.5
62.62854	3.0
69.67879	6.1
69.68240	6.7
82.99847	3.3
83.02670	3.2
95.02447	3.2
98.22769	5.5
101.00874	26.4
113.86069	3.0
118.03503	12.2
119.01910	100.0
136.04572	8.5
137.02931	19.7
142.03485	16.8
160.04568	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	143.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05489	0.2
56.05018	0.5
56.96553	0.6
57.03430	0.5
58.06598	1.6
58.99853	1.9
60.95838	0.4
61.02934	0.3
69.03410	1.5
70.02956	0.3
70.06568	1.3
70.99857	2.8
71.04980	0.3
72.08138	0.3
77.00897	3.0
77.32344	0.2
81.04538	1.7
82.99835	1.0
83.06089	0.3
84.04510	1.9
84.08135	3.7
85.02913	0.3
85.06524	0.5
86.99273	0.3
87.04453	0.7
89.00887	1.5
92.33563	0.2
95.01926	0.8
95.06087	0.8
97.02876	1.8
97.07641	0.4
98.06052	1.4
98.07159	0.4
98.09689	0.8
98.97515	0.3
99.04452	0.3
101.00867	25.5
102.00912	1.1
102.96851	0.4
103.02431	0.5
105.00354	0.4
107.01883	0.4
115.02396	0.4
116.98605	0.2
119.01905	100.0
120.01986	5.9
120.03271	0.3
120.97890	0.4
121.01633	0.6
121.02414	0.3
121.03456	0.3
124.02428	0.3
125.02349	1.0
125.07089	0.8
126.05510	0.5
133.03452	0.6
137.02945	27.3
138.03033	1.8
138.98851	0.3
142.03456	1.3
143.01895	2.4
143.03389	10.8
143.08122	0.6
143.11777	0.6
144.05054	0.3
144.06529	0.5
144.10179	11.7
144.13873	0.4
160.04573	0.4
161.02936	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	143.0703
Annotation	Dihydrosarkomycin
Peak:m/z	Relative Intensity
51.87553	0.4
53.03936	2.3
54.04725	0.7
55.01868	0.5
55.05504	3.0
57.58876	0.4
59.04994	5.3
60.95843	1.0
65.03932	8.3
66.04710	0.5
67.05497	16.5
67.05865	0.8
68.99778	3.7
69.03424	11.8
69.07061	1.1
70.06583	2.0
70.65688	0.9
71.04983	0.9
71.95231	0.6
73.06532	0.9
78.99740	0.5
79.05488	3.5
81.03405	0.8
81.07040	0.6
82.04189	14.6
83.04971	10.1
83.05379	0.3
84.04507	1.0
84.08124	0.6
85.39999	0.5
93.03395	3.6
95.04951	2.9
97.00786	1.2
97.02900	2.8
97.06519	70.8
98.06087	2.3
98.06855	1.9
101.00854	1.3
101.06016	0.7
101.94997	1.5
102.91180	0.4
102.96874	2.0
111.04433	2.7
113.02958	1.6
115.05462	3.4
119.01908	6.2
119.96053	0.5
120.97917	2.3
121.00754	1.0
125.02361	2.4
125.05977	100.0
126.05488	0.8
126.06313	2.8
127.68177	0.5
128.06200	0.9
137.02919	2.6
137.97124	0.5
138.98901	1.3
139.01823	1.8
143.03381	11.8
143.05298	0.5
143.07021	13.1
144.03748	0.7
144.04736	2.2
144.08069	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1066
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05507	18.0
57.07071	18.2
59.05003	2.0
60.58511	1.2
60.95845	5.7
65.03928	1.5
67.05502	10.4
69.03426	5.6
69.07069	3.5
69.71660	4.9
70.06589	1.8
71.04986	100.0
72.05323	1.8
73.06548	13.1
76.11538	1.3
79.05492	4.9
81.07047	4.4
83.04977	12.7
83.08603	8.3
84.04485	1.9
84.08101	1.3
85.06531	45.0
91.05470	2.9
91.85863	1.4
96.04469	1.6
97.00803	2.3
97.10143	9.2
98.06062	4.8
101.95018	3.9
102.96886	5.6
107.08582	31.1
111.39661	1.1
115.05502	2.1
119.96017	2.2
120.97906	8.9
121.00797	2.0
121.01630	1.3
125.09628	14.5
128.06207	1.8
136.26270	1.2
137.97057	2.7
138.02995	1.3
138.98906	5.9
139.01831	5.8
143.03412	3.6
143.10654	5.2
144.04747	3.5
144.06557	1.6
144.08104	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01865	2.8
55.05501	24.2
57.03410	1.6
57.07068	19.0
59.04981	5.8
60.61605	1.3
60.95833	2.3
60.98720	2.1
62.94504	1.1
65.03937	3.3
67.05486	13.2
68.99772	4.3
69.03416	11.8
69.07046	5.2
69.54838	4.4
69.55199	2.7
70.06587	7.4
71.04981	100.0
73.06544	11.9
79.05480	8.5
81.07053	7.5
83.04985	12.6
83.08604	10.1
84.04471	2.5
85.06526	41.4
91.05466	3.6
97.00792	4.2
97.02882	8.1
97.04035	1.6
97.06516	2.9
97.10152	11.8
98.06033	11.4
98.22617	1.5
101.00852	3.3
101.95020	3.9
102.96867	7.5
105.07082	1.7
107.08577	29.1
113.02974	2.6
115.05441	8.9
119.01897	21.8
119.51050	1.4
119.96037	3.0
120.02017	3.4
120.97886	7.9
121.00743	3.4
125.02334	8.0
125.07113	1.6
125.09623	14.5
126.03719	3.0
126.05489	2.5
126.46865	1.4
128.06187	5.3
137.02954	9.6
138.98929	6.6
139.01801	11.8
143.03377	47.6
143.08331	1.4
143.10654	4.7
144.04742	7.2
144.06517	3.5
144.08026	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	143.1066
Annotation	Cycloheptanecarboxylic acid
Peak:m/z	Relative Intensity
50.44160	2.1
55.01870	2.9
55.05507	19.4
56.05046	2.2
57.07078	19.7
59.05001	4.0
60.95841	4.9
65.03941	3.1
65.11133	2.3
67.05503	11.3
69.03413	7.6
69.07049	4.5
70.06585	6.4
71.04987	100.0
72.04496	3.4
73.06555	14.3
78.22825	2.1
79.05523	3.7
81.04542	2.8
83.04972	9.9
83.08611	7.6
84.08134	3.0
85.06532	46.8
97.00816	5.4
97.02876	4.3
97.10145	13.9
98.06045	9.7
101.95033	4.7
102.96877	10.4
107.08592	35.2
113.02997	2.3
113.57662	2.3
115.05434	6.9
119.96069	2.8
120.97919	12.5
125.07082	3.3
125.09621	19.2
128.06183	7.0
138.98923	10.8
139.01799	13.5
143.03395	12.4
143.10681	4.9
144.04634	8.2
144.06584	5.1
144.08066	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	21.7
56.05020	3.0
57.07072	19.5
59.05021	3.2
60.95840	10.9
61.05569	2.9
63.94802	3.0
67.05490	12.8
69.03414	9.7
69.07050	3.5
70.06605	3.1
71.04986	100.0
73.06552	8.0
79.05503	3.3
83.04958	10.5
83.08604	9.4
84.04465	4.9
84.08126	4.2
85.06538	37.4
90.99951	2.7
95.06074	3.1
97.00777	7.2
97.02872	4.3
97.06501	3.0
97.10146	14.6
98.06036	12.5
98.73100	2.8
101.95014	12.7
102.96867	20.0
107.08586	35.0
113.02955	4.8
115.05437	7.6
119.01936	2.6
119.58781	2.6
119.96058	4.1
119.98173	4.0
120.02016	3.8
120.97897	17.0
121.00746	7.3
123.14374	2.7
125.02383	3.4
125.09600	20.4
126.05524	3.5
127.05325	2.6
128.06200	15.7
137.97092	5.1
138.03194	3.3
138.98911	17.0
139.01805	23.4
143.03391	23.3
143.08429	5.2
143.10616	5.1
144.04765	6.5
144.06581	4.5
144.08124	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	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.03948	2.5
53.35955	0.9
53.41736	0.8
55.01875	6.9
55.05508	100.0
56.05833	1.0
59.04998	2.5
60.95841	2.9
63.88208	0.8
67.05490	4.3
69.03424	3.4
69.07065	11.7
69.58795	1.6
70.06583	3.0
71.04972	1.4
78.99756	1.2
79.05495	7.8
81.07045	10.1
83.04980	2.9
83.08611	32.9
84.08141	0.9
87.70169	0.7
91.05479	1.1
97.00817	1.5
97.02892	1.7
97.10160	23.5
98.06067	5.2
101.09681	0.9
101.95023	2.0
102.96864	3.6
107.08601	4.7
115.05431	12.8
119.01906	2.6
119.98225	1.0
120.02071	0.8
120.97919	4.2
121.00803	1.2
125.02352	2.0
125.09618	4.6
126.03706	1.0
128.06204	4.2
129.54829	0.8
129.97141	0.8
130.63213	0.7
137.02959	1.6
138.98930	3.6
139.01805	5.0
143.03381	8.3
143.08484	2.5
144.04742	1.9
144.06578	1.6
144.08101	1.9
144.10152	1.6
148.67293	0.8
162.03479	1.0
164.32205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0494
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03937	4.9
55.01867	14.1
56.96569	2.2
57.03433	18.4
58.06602	2.0
59.04991	1.2
60.05642	8.6
60.08154	3.0
61.02929	5.6
65.03960	1.2
67.04239	1.0
69.03420	63.7
70.03734	1.0
71.01346	1.5
71.04992	4.5
71.16380	0.8
71.43231	0.8
72.08163	1.6
73.02902	2.7
80.04987	0.8
81.03410	7.2
82.06568	32.1
83.01327	2.1
84.08138	1.5
85.02894	100.0
85.08468	1.8
86.03215	0.9
86.06055	29.7
87.04457	33.5
89.03913	2.5
97.02258	1.2
97.02881	21.8
98.97580	1.6
99.04443	21.6
100.07603	63.1
103.00603	1.2
104.07108	4.8
109.02870	3.0
111.05547	2.7
115.03947	1.3
117.06963	1.0
121.01649	5.9
121.61518	1.3
127.03896	8.2
128.07065	2.8
128.08192	2.9
129.06561	0.9
132.63655	0.9
139.02705	1.4
144.10301	1.3
145.04903	1.3
145.10551	7.8
146.06111	1.5
146.08110	14.0
146.09248	12.2
146.11775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0494
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03933	4.3
55.01865	14.4
55.05505	1.8
56.05038	1.3
56.96555	2.9
57.03429	17.7
60.05636	2.8
60.08168	6.1
61.02905	3.7
65.67542	1.1
67.04228	1.2
69.03419	64.2
71.01334	2.5
71.04969	4.8
72.46146	1.1
73.02895	2.5
74.06030	1.1
75.04404	1.1
81.03401	6.9
82.06565	40.8
83.01334	1.9
84.08154	1.5
85.02890	100.0
85.08456	1.7
86.06059	10.4
87.04453	27.6
91.05472	3.4
97.02881	19.9
98.97556	1.5
99.04444	29.4
99.06361	1.5
100.07602	88.8
104.07072	1.6
109.02875	2.5
111.05609	1.0
112.16992	1.0
116.98584	1.8
118.06516	3.2
119.01885	1.3
120.01897	1.0
121.01624	5.5
127.03893	9.6
128.04961	13.8
128.07060	2.2
139.02687	2.4
145.03912	1.3
145.04985	2.1
145.10501	4.8
146.06001	21.9
146.08119	20.6
146.09227	3.4
146.11725	3.8
160.55597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0494
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03938	10.9
53.09108	2.0
53.21310	2.3
55.01859	18.5
56.96544	2.8
57.03420	17.0
58.06600	4.3
61.02923	11.2
62.92978	9.0
69.03419	80.5
69.07047	4.4
69.67116	5.1
69.67446	3.4
71.01346	3.3
71.04985	13.8
71.38377	2.5
72.08145	43.8
75.39148	2.2
81.03403	23.6
82.06573	30.1
83.01331	7.7
84.08134	4.1
85.02891	100.0
86.06035	3.6
87.04447	3.5
89.03896	13.4
91.05468	4.5
97.00800	3.8
97.02877	32.8
99.04436	35.1
100.07600	58.0
101.02339	2.2
109.02867	5.1
112.11204	9.1
115.05442	4.8
117.03356	5.1
117.07019	9.3
118.06494	5.0
121.00783	4.8
121.01656	7.1
121.96657	15.2
127.03912	14.3
139.01776	11.6
140.21266	2.2
145.05011	5.9
145.06436	12.7
145.07556	6.8
146.05959	5.0
146.08072	20.9
155.06024	3.3
162.05695	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	145.0648
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
52.56245	0.9
55.01876	1.0
57.03436	1.7
62.92974	3.2
67.05519	0.9
69.03421	1.7
69.55775	0.7
71.04993	1.6
72.08141	2.1
77.86855	1.0
81.03436	1.1
82.06574	3.9
85.02890	3.7
86.06068	1.4
89.03903	3.9
91.05474	28.8
97.02890	1.0
99.04433	1.6
100.07613	6.9
102.04678	32.5
102.05351	2.0
103.05506	4.7
105.07018	9.8
115.05444	82.2
116.05695	1.8
117.07009	89.3
118.06570	1.8
118.07365	2.8
121.96671	4.1
127.03916	1.0
127.05409	9.0
128.06213	1.6
128.07057	0.9
129.06964	1.8
130.04140	17.2
130.07791	8.6
145.06474	100.0
145.10112	17.5
146.06824	4.1
146.08124	2.3
155.06029	58.3
156.06364	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	145.0647
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
50.24066	0.9
57.03425	1.8
61.02934	0.9
61.59515	0.9
62.92980	1.8
65.03948	1.1
68.76974	0.8
69.03401	2.4
69.44180	4.3
72.08125	1.4
81.03404	1.0
82.06564	2.7
83.12329	0.9
83.98979	1.0
85.02885	1.8
86.06071	0.8
86.09702	1.0
89.03903	1.8
91.05467	28.9
97.02864	0.8
99.04472	1.6
100.07616	5.9
102.04677	29.8
102.05357	1.9
103.05533	4.7
105.07028	5.4
113.62373	0.8
115.05441	81.3
116.05746	2.0
117.07003	80.1
117.25365	1.0
118.06564	1.7
118.07360	3.0
121.96631	2.6
127.05431	6.6
129.06963	1.4
130.04134	15.4
130.07759	3.3
131.04417	1.1
134.90991	0.8
143.08582	1.1
145.06468	100.0
145.10095	8.4
146.05815	1.1
146.06824	3.7
146.08107	3.6
155.06021	56.5
156.06398	1.2
156.78833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89134	4.3
55.05483	4.1
57.26875	4.4
60.14796	4.0
61.02901	4.4
62.92980	8.0
67.05476	5.6
69.03410	10.3
71.04989	100.0
72.08159	7.1
82.06563	8.5
85.02876	13.7
85.06547	22.9
89.03922	4.8
90.16205	4.1
91.05471	12.0
97.02842	7.3
99.04461	5.9
100.07613	21.8
105.07027	13.7
113.06029	6.9
115.05425	6.2
117.07014	19.1
118.06504	5.1
121.96629	7.5
130.07729	8.5
143.08534	4.4
145.06534	9.2
145.07625	10.4
145.10115	24.4
146.05934	6.6
146.08076	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	145.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01856	4.6
55.05496	2.8
57.03427	47.0
57.07067	44.3
58.06581	1.9
59.04987	4.9
61.02921	4.6
62.92975	4.4
63.02357	4.2
65.03917	3.4
67.05492	35.4
69.03419	100.0
71.04980	25.6
71.08607	1.6
71.43974	1.5
72.08147	10.0
79.05479	7.0
81.03399	6.5
81.07043	10.7
82.06559	10.7
84.08131	2.4
85.02892	29.8
85.06515	5.9
86.06049	3.5
86.09721	2.0
89.03902	49.7
91.05469	8.6
95.04958	16.5
97.02860	10.0
99.04464	9.4
99.06390	1.5
99.08059	4.4
100.07601	27.9
101.06002	28.5
102.91261	1.4
105.07021	9.9
109.06479	3.5
112.11224	2.6
115.05453	8.8
117.03364	21.6
117.07018	10.5
118.06530	15.7
118.07314	2.4
121.95868	1.4
121.96609	8.4
125.80625	1.4
127.03928	3.7
128.04913	1.9
128.07079	2.7
129.06912	1.4
130.07764	4.5
139.01793	6.0
143.08490	2.2
145.05052	3.2
145.06451	10.2
145.07567	5.3
145.08568	9.5
145.10071	11.4
146.05945	8.0
146.08040	7.5
155.06017	3.4
156.06363	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	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14428	0.9
53.03936	1.3
56.05014	1.1
57.03423	1.6
61.72064	1.0
62.92977	13.7
65.03940	1.5
67.05496	9.6
67.12800	1.0
69.03404	3.1
79.05481	5.0
81.03424	1.2
82.06557	7.1
83.05000	1.2
85.02910	6.6
86.06062	2.3
91.05468	28.1
92.05787	0.9
95.04967	1.3
97.02849	2.9
98.76019	1.0
98.95670	1.0
99.04412	1.6
100.07596	12.3
103.05431	3.7
105.07011	62.0
106.07350	2.2
114.33193	0.9
115.05434	14.1
116.06229	7.2
117.07000	72.1
118.07323	2.3
121.96621	21.8
128.06210	7.1
128.07076	1.4
129.06985	10.6
130.07770	40.6
136.68904	0.9
143.08540	10.8
144.98213	1.1
145.07721	2.1
145.10100	100.0
146.05974	2.3
146.08026	4.7
146.10417	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	145.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63554	1.4
57.03413	2.7
62.92672	2.0
62.92979	26.4
67.05487	7.0
70.40134	1.5
70.40865	1.6
70.41205	2.3
79.05473	4.3
81.03428	2.5
82.06566	6.3
85.02912	1.9
86.06049	6.7
91.05460	25.3
98.13757	1.3
100.07603	15.7
103.05432	2.5
105.07004	69.1
106.07307	2.2
115.05443	12.4
116.06209	4.3
117.06999	68.9
121.96617	40.1
128.06189	7.9
128.07028	1.9
129.06979	8.0
130.07759	41.5
143.08554	8.6
144.98180	3.1
145.06461	2.2
145.07573	3.3
145.10095	100.0
146.05930	4.9
146.07056	1.6
146.08125	9.2
146.10410	3.8
155.06071	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	146.0599
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
53.64350	0.2
56.05016	0.5
58.06594	0.5
65.03929	2.0
70.78201	0.5
72.08155	3.3
72.65817	0.3
77.03887	0.4
80.92709	0.3
81.03432	0.4
82.06562	4.2
84.04482	1.3
84.08149	0.4
86.06052	0.6
91.05468	23.5
92.05846	0.3
95.04962	0.8
100.07603	7.1
100.08233	0.5
103.05447	0.9
105.07048	0.5
112.11208	0.6
117.05743	0.8
117.06999	0.3
118.06522	4.2
118.07292	0.4
119.04929	17.2
119.08553	0.8
123.96535	0.3
128.04947	49.6
129.04475	2.3
129.05310	1.5
130.04985	0.4
146.05988	100.0
147.04414	6.8
147.06317	3.2
147.08020	0.5
147.09073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.01870	0.6
56.75423	0.4
69.03416	0.7
69.54514	1.3
72.08118	0.6
72.33438	0.4
82.06573	0.7
87.04476	0.8
91.05466	12.1
95.04951	1.3
97.02904	0.7
98.22765	0.9
100.07610	1.5
101.03900	0.5
101.11198	0.3
103.05460	1.4
115.03886	2.0
117.05757	2.2
118.06524	11.3
119.04913	1.0
128.04947	53.1
129.04442	2.0
129.05318	1.7
137.35849	0.4
146.05986	100.0
147.06351	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	146.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.4
57.03447	0.3
57.87655	0.3
58.06596	0.5
65.03934	1.2
70.47292	0.5
70.47611	0.3
72.08145	3.9
81.03407	0.8
82.06571	5.4
83.04982	0.5
84.04496	0.7
86.06046	0.8
87.04466	0.5
91.05466	11.8
95.04975	0.9
100.07607	8.0
101.03905	0.6
103.05469	0.6
104.90852	0.6
105.07040	0.9
112.11205	0.9
117.05743	0.9
118.06526	5.5
118.07297	0.3
119.04923	6.9
119.08566	1.7
128.04950	49.5
129.04477	2.1
129.05301	1.3
137.28969	0.3
146.05989	100.0
146.08034	2.8
147.04456	3.0
147.06372	2.9
147.08043	1.6
147.11713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
50.84173	0.3
52.83236	0.3
55.05495	0.5
56.05019	0.8
57.03431	0.7
58.06582	0.4
59.37060	0.2
65.03914	0.4
69.03404	0.3
71.43629	0.2
72.04501	0.4
72.08147	3.9
74.06096	0.3
75.02352	0.3
79.05471	0.3
80.05002	0.6
81.03391	0.6
82.06568	6.6
83.04971	0.5
83.10478	0.3
84.04481	0.8
84.08134	0.5
86.06050	1.1
87.04452	0.4
89.03943	0.3
91.05465	9.5
95.04961	0.6
98.06062	0.4
100.07603	12.8
103.05459	0.5
105.04508	0.5
105.07021	2.0
106.07346	0.3
110.06013	0.4
112.11220	0.8
116.05759	0.3
117.05740	0.6
117.06972	0.7
118.05764	0.3
118.06540	4.4
118.07323	0.4
119.04923	3.7
119.06815	0.3
119.08553	2.1
123.96405	0.3
128.04945	45.4
128.06987	1.1
129.04456	1.4
129.05330	1.4
131.04900	0.5
131.89882	0.3
134.29355	0.2
146.05986	100.0
146.08009	3.3
146.10452	1.1
147.04469	2.5
147.06375	3.4
147.08086	0.4
147.11650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
53.33265	0.5
57.03428	1.7
58.06583	2.4
65.03932	0.7
66.29681	0.5
67.99273	0.5
69.03416	0.8
69.72078	1.1
69.72467	1.3
70.06564	0.9
72.08145	18.9
73.97797	0.7
76.64062	0.5
81.03400	0.8
82.06568	11.0
83.04968	0.8
84.04493	2.2
84.08125	2.6
86.06046	1.6
91.05467	38.9
95.04908	0.6
98.22743	1.0
100.07601	25.0
104.90797	1.4
110.05978	0.9
112.11221	5.0
117.05732	6.2
118.06522	100.0
119.04925	9.5
119.05773	0.8
119.06149	0.5
119.06823	3.2
122.54031	0.5
123.96471	0.9
128.04950	26.7
128.07024	1.9
129.05339	0.6
130.05060	0.7
130.08629	1.0
131.95589	0.5
146.05984	60.5
146.07896	7.2
146.91862	0.6
147.04381	4.4
147.06310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.081
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
58.06587	0.3
58.12109	0.2
60.08155	5.7
61.90026	0.2
67.04230	0.7
69.03410	0.4
70.06578	0.5
71.08417	0.2
72.08144	1.2
82.06567	44.4
83.06902	0.6
84.04496	2.2
85.02892	0.2
85.69247	0.2
86.06051	0.5
87.04455	15.1
88.04812	0.3
93.70961	0.2
100.07603	100.0
101.07926	1.6
128.07054	1.9
130.04993	0.6
143.73000	0.2
146.08099	20.9
146.11745	3.1
146.12830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.081
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
55.01853	0.3
55.05501	0.9
56.05020	0.9
56.96547	0.3
57.03426	0.6
58.06588	0.5
59.68095	0.2
60.05648	1.3
60.07860	0.4
60.08156	6.1
65.03944	0.3
67.04240	0.7
69.03415	1.4
69.59753	0.5
69.60146	0.3
70.03742	0.3
70.06590	0.6
71.04955	0.2
72.08139	1.2
74.06062	0.2
80.04995	0.3
82.06569	45.2
83.06920	0.6
83.07365	0.3
84.01543	0.2
84.04491	11.2
84.08138	1.5
85.02904	0.5
86.03227	0.7
86.06052	6.1
87.04456	20.9
88.04787	0.3
91.05466	4.8
92.03663	0.2
95.04930	0.4
97.02847	0.2
100.07602	100.0
101.05984	0.3
101.07298	0.4
101.07912	1.6
102.05551	0.4
103.05454	0.6
104.07124	1.0
110.06030	0.2
111.05572	0.7
115.03921	0.3
117.05766	0.9
118.06522	4.6
119.04928	0.7
128.04945	19.1
128.07024	2.9
128.08084	0.4
129.04472	0.8
129.05334	0.6
130.04982	3.2
130.08624	0.3
131.00174	0.2
146.05995	36.5
146.08087	22.5
146.09209	2.7
146.11736	3.9
147.04329	0.4
147.06372	1.2
147.08452	0.2
149.01186	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	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.48020	0.6
64.92798	1.6
65.03931	10.4
70.06600	0.7
70.95180	0.7
72.08147	2.8
84.04491	5.9
91.05466	100.0
92.05810	3.0
101.07958	1.1
103.05453	1.7
105.07031	2.2
107.04950	0.7
117.07000	1.8
119.04923	78.2
119.08552	4.8
120.05246	1.6
123.96425	2.4
129.05283	2.8
129.06985	1.4
130.05016	1.3
132.05711	0.8
147.04393	53.4
147.06207	5.7
147.07979	2.9
147.09137	1.0
147.11667	1.6
148.04776	1.0
148.67505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05515	1.0
56.05008	0.4
65.03934	11.7
69.28919	2.3
79.05479	0.6
84.04483	2.1
85.02882	0.6
91.05469	100.0
92.05792	2.4
95.04972	0.6
98.22761	0.7
101.07937	0.6
103.05464	1.0
104.90820	0.5
105.04600	0.5
105.07012	5.5
107.04936	1.4
112.15411	0.4
115.05431	0.4
117.06994	1.4
119.04927	86.3
119.08562	7.6
120.04478	0.6
120.05274	3.0
120.08086	0.5
121.65771	0.4
129.07014	0.7
130.04979	0.7
132.05676	0.8
145.10139	0.7
147.04390	33.9
147.05428	1.7
147.08011	2.9
147.11676	2.5
148.03775	0.6
148.04799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0651
Annotation	Methyl 5-hydroxy-4-oxopentanoate
Peak:m/z	Relative Intensity
50.41370	1.1
53.03936	1.9
55.01864	31.0
57.03419	3.5
59.04994	8.7
65.03923	2.8
65.70178	1.0
69.03419	36.0
70.74416	2.1
73.02869	1.4
80.29848	1.2
82.92690	1.1
84.04500	18.1
84.08140	1.4
85.02891	1.7
87.04455	32.1
91.05465	8.0
97.02873	28.5
102.05497	1.3
104.90836	3.0
105.07010	1.8
109.89358	1.1
115.03909	100.0
116.04214	1.7
119.04929	6.8
119.08589	1.7
122.30432	1.2
123.32663	1.1
123.96462	1.5
129.05412	1.2
130.04980	4.0
146.91811	1.3
147.04376	5.6
148.11165	18.5
158.53391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0763
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
56.05027	2.9
69.03400	0.4
69.91491	0.3
69.91826	0.9
82.06511	0.3
83.06903	1.0
84.04494	100.0
84.08131	3.3
85.02883	1.5
85.04819	1.6
86.63200	0.4
87.04464	0.5
88.04790	0.5
88.61510	0.3
91.05523	0.4
100.07630	0.6
100.17846	0.3
101.07166	2.5
101.07881	2.2
102.05531	2.9
113.26128	0.3
119.04955	0.4
130.04987	25.6
131.05331	0.5
147.08522	0.4
152.11429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.39161	1.0
53.03935	1.5
55.05506	13.2
60.04520	2.6
65.03910	2.0
67.05493	2.5
69.07060	10.0
70.02926	1.0
70.79666	1.7
79.05489	8.2
81.07050	1.9
84.04494	3.7
88.03506	1.6
88.03987	14.1
91.05471	48.3
93.07023	3.8
95.04945	2.5
102.05536	6.0
103.05483	4.9
105.04405	1.2
105.07015	75.2
106.07313	2.2
107.04952	2.3
107.08561	6.9
115.05440	1.7
116.06208	2.4
117.07001	14.5
119.04939	11.3
119.08565	100.0
120.08889	3.2
129.07048	1.1
130.07784	1.5
131.08549	3.7
132.05698	1.3
132.09352	7.8
133.02998	1.0
133.05238	2.2
143.34848	0.9
145.10101	11.0
147.04405	6.0
147.08035	5.8
147.11665	60.8
148.03836	1.3
148.07553	2.6
148.11990	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	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.3
61.12803	0.7
64.24864	0.8
65.03936	1.8
67.05487	2.2
69.07059	2.6
69.11763	5.1
71.04975	1.1
77.03896	1.1
79.05489	6.8
81.07063	1.2
84.04488	3.4
91.05470	44.9
92.05788	1.0
93.07035	4.0
94.60948	0.7
95.04960	2.5
98.22556	1.1
103.05450	4.7
104.06204	0.9
105.04534	1.1
105.07016	67.6
106.07321	1.6
107.04923	1.4
107.08570	9.5
108.20889	0.7
115.05461	2.2
116.06252	1.9
117.07010	17.6
119.04935	8.8
119.08566	100.0
120.08154	0.8
120.08923	2.5
128.06215	1.0
129.07004	2.7
130.07756	1.3
131.08511	3.6
132.09334	5.4
143.11063	1.0
145.10101	12.7
147.04437	6.5
147.05482	1.7
147.08026	4.7
147.09146	1.7
147.11667	59.8
148.03833	1.4
148.07579	1.1
148.12001	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	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03936	1.4
55.05299	1.0
55.05506	12.3
64.92790	2.4
67.05511	4.7
67.39447	0.9
69.07058	2.1
71.08731	0.9
77.03898	0.9
79.05494	8.1
81.07056	1.9
84.04486	3.7
84.60609	1.0
91.05472	35.4
93.07032	3.9
95.04967	1.9
98.22616	1.8
101.07935	1.9
103.05438	5.0
105.07020	100.0
106.07365	2.9
107.08573	5.6
115.05490	1.4
116.06240	1.7
117.07014	13.8
119.04927	5.4
119.08566	96.3
120.04447	1.3
120.08910	3.9
123.96432	3.8
129.07068	1.9
131.08566	2.7
132.09341	5.0
140.86856	1.0
145.10115	7.2
147.04390	3.8
147.05522	5.1
147.08044	1.4
147.09169	2.9
147.11673	53.0
147.30043	0.9
148.03918	2.0
148.11990	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	149.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.4
65.03933	47.0
66.64413	0.9
69.33337	2.3
69.33737	4.4
72.00629	0.9
79.05477	11.1
83.30402	0.9
91.05443	1.9
93.03394	14.5
94.06554	1.1
95.04936	1.9
105.03372	3.6
108.04472	6.8
111.04421	11.5
121.02848	59.5
121.03959	21.8
121.07538	1.3
122.03179	2.0
122.04393	1.1
122.06004	4.0
126.05491	4.7
148.78061	1.3
149.02321	100.0
149.07065	4.6
149.08284	1.3
149.09541	4.9
150.02654	3.2
150.03725	1.5
150.05489	3.1
150.09055	1.1
167.03465	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	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03924	3.1
55.01854	3.6
55.05494	2.0
55.05935	1.1
60.50396	1.1
65.03925	11.6
66.36471	1.2
69.03410	5.5
69.50089	4.1
69.50499	2.4
77.03902	3.5
79.05481	22.4
81.07046	2.1
91.05466	62.3
93.03378	2.8
93.07033	39.8
95.04961	7.0
98.22684	1.6
101.34921	1.3
103.05428	7.4
105.04507	3.3
105.07014	52.8
106.07782	4.7
107.04921	1.9
107.08553	3.7
109.06516	7.0
111.04436	2.6
115.05437	10.5
116.05447	2.0
116.06223	27.9
119.08566	9.6
121.02172	1.2
121.02844	12.1
121.03967	4.3
121.06490	19.5
121.09254	2.5
121.10129	45.7
121.22642	1.0
122.10536	1.8
123.08074	6.3
128.06226	1.6
129.06999	10.1
131.08540	27.9
133.06612	1.5
133.07587	4.2
134.07266	4.8
147.07980	4.2
149.02321	21.5
149.09593	100.0
150.09944	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03938	1.2
55.01864	1.5
55.05497	2.0
55.33907	0.6
56.41307	0.7
59.40649	0.6
65.03935	50.7
66.04256	0.9
67.05487	1.3
69.07051	1.8
69.10889	4.5
75.64473	0.7
77.03919	2.2
79.05489	11.5
81.06268	0.7
81.07059	2.4
88.55820	0.7
91.05473	19.2
93.03399	12.9
93.06438	1.5
93.07035	27.1
95.04965	5.9
95.08598	0.9
98.22717	1.9
98.42032	0.7
100.86059	0.8
103.05442	4.1
105.04504	2.4
105.06339	1.4
105.07016	18.5
106.07790	2.5
107.04944	12.7
107.08588	9.5
108.04472	1.2
111.04439	9.5
116.06175	1.8
119.06026	0.8
119.08575	3.1
121.02854	56.5
121.03965	19.9
121.06474	5.4
121.07676	0.9
121.10128	17.7
122.03204	1.9
122.06017	1.0
123.08025	2.0
129.07024	0.7
131.08542	4.0
133.07570	0.9
149.02327	100.0
149.05975	3.7
149.07057	1.6
149.09604	49.4
149.13235	1.4
150.02681	2.9
150.05452	0.9
150.10013	1.1
160.19370	0.7
167.03407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03946	2.7
55.05509	11.1
65.03934	60.4
66.04263	1.8
67.05499	24.5
69.07059	14.4
69.08868	7.4
77.03919	3.4
79.05484	55.8
80.04995	1.2
81.03408	2.0
81.07047	72.7
82.53235	1.0
83.08602	2.7
91.05472	23.0
93.03399	12.4
93.07034	74.9
94.07346	1.5
95.04967	9.3
95.08615	13.7
95.41672	1.1
100.65389	1.1
103.42525	1.1
105.04509	3.8
105.07018	6.5
107.04944	28.0
107.05669	1.4
107.08582	58.0
107.98706	1.2
108.04445	1.4
109.06519	1.9
111.04443	10.9
119.04996	1.1
119.06049	1.4
119.08604	1.1
120.05707	3.4
121.02850	58.9
121.03967	25.1
121.06414	1.4
121.10134	14.6
122.03191	2.6
149.02324	100.0
149.07050	2.0
149.09615	9.3
149.13237	34.8
150.02638	4.4
150.05443	2.0
155.14758	1.1
167.03416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.96777	0.7
55.05507	3.2
56.31229	0.6
56.95384	0.7
57.07066	2.1
63.76064	0.7
64.42427	0.6
65.03934	45.8
66.04272	1.5
67.05499	2.2
69.03377	0.6
69.07056	2.7
70.03838	2.0
70.92487	0.6
77.03923	1.3
79.05481	8.8
81.07050	3.2
91.05471	12.7
92.06258	0.7
93.03397	12.2
93.07031	14.9
95.04952	3.9
95.08590	1.0
103.05442	3.0
105.04491	1.1
105.06342	1.3
105.07016	22.6
106.07818	1.4
107.08576	25.3
108.04463	1.2
108.08891	0.9
108.96484	0.8
109.06509	2.9
111.04427	10.3
116.06275	0.8
119.06011	1.4
119.08556	6.0
121.02849	54.4
121.03962	18.9
121.06462	1.8
121.10126	48.8
122.03184	1.4
122.06052	1.2
122.10455	1.9
123.08063	4.4
126.05478	0.9
131.08533	1.4
133.07565	2.0
133.10129	1.9
134.10898	1.5
137.29071	0.7
149.02322	100.0
149.07068	1.7
149.09622	7.6
149.13261	6.7
150.02614	4.1
150.03680	0.7
150.13235	0.6
167.03304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.9
53.03938	7.7
53.65901	0.5
55.01878	2.7
55.05500	1.2
64.37295	0.5
65.03936	7.7
67.05497	50.9
68.99779	2.1
69.98907	1.0
69.99236	1.0
70.48100	0.6
77.03913	6.6
79.05483	100.0
80.05824	1.8
81.03410	26.4
81.03889	1.4
81.07037	1.9
82.07690	0.6
83.04971	0.8
91.05463	3.1
93.07076	1.2
95.04958	80.2
95.08644	0.8
96.05296	2.1
105.03386	25.8
105.04485	13.0
105.07017	1.9
106.03712	0.7
106.06527	1.1
107.04952	2.2
107.08566	1.0
109.06506	1.3
109.10139	1.3
119.04927	1.2
121.02882	0.7
123.04416	79.5
123.11742	0.7
124.04746	1.0
133.02835	31.1
133.06490	0.8
133.07491	0.6
134.03146	1.1
134.05959	1.4
151.02809	1.2
151.03889	6.0
151.07524	1.4
151.08644	1.9
151.11151	2.2
152.06999	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	alpha-Oxo-benzeneacetic acid
Peak:m/z	Relative Intensity
50.01599	1.2
51.02378	2.8
53.03945	11.3
53.04348	0.8
55.01857	2.9
55.05502	2.1
55.41665	0.8
65.03932	9.6
66.33009	0.6
67.05498	61.3
68.05840	1.3
68.99799	1.9
69.08628	5.4
77.03930	10.0
79.05485	100.0
80.05824	2.0
81.03412	31.0
81.07050	2.2
90.59270	0.8
91.05468	1.9
93.07015	1.4
95.04958	85.8
96.05294	1.5
98.67463	0.7
105.02676	1.4
105.03386	29.3
105.04476	13.3
105.05192	1.2
105.07018	2.1
106.06518	1.0
107.04941	2.4
108.02077	0.8
109.06519	1.5
119.04965	0.9
123.04415	79.3
124.04747	2.3
133.02840	31.3
133.10150	0.8
134.03183	1.3
134.05977	1.0
141.05545	1.2
151.02808	1.2
151.03908	8.3
151.05060	2.3
151.07552	1.8
151.08655	0.9
151.11201	1.1
152.07129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01605	1.4
51.02367	1.5
52.03137	1.2
53.03944	7.7
55.01869	6.5
55.05505	3.1
65.03935	19.4
67.05498	49.8
70.49117	2.6
73.28889	1.1
76.59307	1.2
77.03917	8.2
79.05485	55.4
80.02631	1.8
81.03411	20.3
81.07034	5.0
91.05464	10.8
93.07040	3.3
95.04958	100.0
95.08601	1.4
96.05292	1.3
105.03384	16.4
105.04487	13.6
105.06998	5.7
106.06553	1.8
107.04927	3.3
107.08580	2.7
108.02085	16.3
109.02844	1.8
109.06514	3.5
109.10139	3.3
111.04424	2.7
119.04923	4.0
121.03975	2.2
123.04414	82.9
123.07985	1.8
123.11693	1.6
133.02837	23.1
133.07642	1.5
133.10091	3.0
134.06004	2.9
136.01544	1.8
141.05476	12.0
151.03883	87.9
151.05025	38.5
151.07538	5.9
151.08611	2.3
151.11162	3.8
152.04263	2.5
152.05388	1.4
152.07083	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	151.0389
Annotation	alpha-Oxo-benzeneacetic acid
Peak:m/z	Relative Intensity
51.02361	1.9
53.03944	6.7
53.04166	1.2
55.01856	3.0
55.03230	1.0
55.05501	1.4
55.54366	1.1
65.03927	6.3
67.05495	39.6
68.99767	1.4
69.85336	2.6
77.03919	10.6
78.87249	1.0
79.05481	70.4
81.03406	23.7
81.07049	3.5
91.05492	2.7
95.04956	100.0
96.05310	3.7
105.03382	18.4
105.04491	10.8
105.07011	3.0
106.06540	1.5
107.04973	4.4
107.08580	1.8
109.06534	2.2
112.20001	1.2
123.04412	95.2
123.06306	6.5
124.04788	2.1
133.02837	24.2
134.03125	1.1
134.06065	1.6
151.02788	2.1
151.03886	9.7
151.05907	2.3
151.07512	1.8
151.11151	1.7
152.07039	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03929	0.9
55.01861	0.9
55.05504	2.9
57.03419	0.8
57.07058	1.9
59.04974	1.5
65.03925	1.6
67.05163	0.6
67.05495	10.0
69.03413	2.0
69.07058	3.1
69.53382	1.6
77.03926	0.4
79.05479	6.9
81.03388	1.5
81.07044	18.1
83.04965	0.8
83.12859	0.5
89.18534	0.5
91.05466	7.9
93.07021	5.6
95.04958	5.6
95.08589	9.5
95.09193	0.5
96.48453	0.5
97.06506	1.1
105.07011	12.8
106.06525	0.7
107.04959	2.8
107.08582	7.6
108.05723	0.8
109.06496	14.6
109.10136	11.6
112.71154	0.5
119.04937	1.4
119.06087	0.8
121.06506	1.1
121.10128	2.4
121.66204	0.5
123.04433	1.4
123.08064	5.6
123.08929	0.8
123.11687	4.4
129.07727	0.5
133.06657	0.5
133.10103	6.3
134.06038	0.9
135.04361	0.6
136.05190	0.5
136.08818	2.4
151.02786	0.7
151.03876	2.1
151.07684	2.5
151.11154	100.0
152.07054	2.2
152.11496	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	152.0567
Annotation	guanine
Peak:m/z	Relative Intensity
50.59552	0.4
52.69135	0.3
53.03951	0.6
55.01843	0.4
55.02993	0.4
56.96559	5.6
65.03915	0.4
67.05473	0.5
68.91849	0.4
69.03417	0.8
69.77538	0.8
69.77861	0.6
77.03912	1.5
78.03442	0.3
79.05480	19.3
80.04994	0.9
81.05792	0.9
81.07039	2.9
82.04038	0.7
82.06570	0.7
85.01373	0.7
85.02905	0.3
91.05466	2.6
92.05021	0.4
95.04956	2.9
96.04518	0.6
96.05255	0.5
96.08118	1.4
97.02886	0.8
98.22763	0.4
98.97560	0.7
100.02341	0.4
103.02430	1.1
105.03462	0.3
105.04510	1.2
106.06540	21.8
107.04940	38.9
108.05242	0.7
108.08150	0.5
109.05127	1.9
109.06489	3.2
110.03510	10.9
110.06039	1.4
110.06730	0.4
110.97543	0.9
111.02941	0.5
111.04388	0.5
115.02410	0.3
119.01889	0.9
121.01680	0.5
121.03510	0.4
123.06798	1.4
124.04753	0.4
124.07567	4.4
127.00647	0.9
128.04533	4.5
128.98586	1.4
129.00334	0.4
129.03958	5.2
134.05997	41.7
135.03012	17.5
135.04401	13.5
135.06349	1.0
136.01404	0.4
145.01720	1.0
146.99632	1.5
147.01378	2.3
147.03235	0.4
147.04991	5.4
152.03529	2.7
152.05667	100.0
152.07034	42.9
153.04060	32.3
153.07423	1.3
154.02477	0.5
163.67538	0.4
170.02948	0.7
171.05034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03934	1.9
55.77455	0.6
66.05721	0.6
69.44870	2.2
77.03909	3.1
79.05484	42.4
80.05830	0.8
81.07051	5.4
82.06556	1.3
84.11143	0.7
91.05466	5.7
95.04940	5.1
96.08136	0.6
105.04501	1.4
106.06545	43.4
107.04941	100.0
108.05262	2.1
109.06514	8.6
110.06020	0.7
113.18618	0.6
123.06819	0.8
124.07596	3.3
134.05997	29.6
135.04399	35.0
136.04712	0.9
152.07048	72.1
153.05435	1.8
153.07378	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
51.02364	0.5
53.03937	1.0
53.10466	0.4
55.01869	0.6
56.17299	0.4
56.96566	0.5
67.97245	0.4
70.04191	0.6
70.04521	0.9
77.03912	2.6
79.05480	44.2
79.14559	0.4
80.05795	0.5
80.96512	0.4
81.03386	0.6
81.07040	6.5
82.06572	0.6
91.05463	8.5
94.04159	0.5
95.04948	5.8
96.08103	0.6
101.53268	0.4
105.03390	1.2
105.04507	1.8
106.06541	47.3
106.93314	0.4
107.04936	100.0
108.05239	2.2
109.06493	7.6
122.05992	0.5
123.06764	1.8
124.07566	3.5
128.98621	0.5
134.05995	32.5
135.04393	32.7
136.04727	1.4
142.01318	0.4
152.07037	70.0
153.05460	1.8
153.07385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03936	1.1
55.01873	0.4
56.89311	0.3
56.96551	2.0
60.63404	0.4
60.71040	0.4
65.03925	0.7
67.05491	0.6
70.04749	0.8
77.03918	2.8
79.05482	44.0
80.05806	0.9
81.07039	5.8
81.59025	0.4
82.06557	0.9
91.05469	7.0
94.04185	0.5
94.06546	0.5
95.04956	6.1
96.08120	0.6
98.23508	0.3
105.03398	0.6
105.04504	1.9
106.04180	0.7
106.06541	46.0
107.04939	100.0
108.05267	2.1
109.06503	7.6
110.03526	1.6
110.06036	0.9
122.06007	0.7
123.06781	1.0
124.07574	3.5
128.04436	0.4
134.05995	34.0
135.03047	1.2
135.04395	29.4
135.06224	0.9
136.04716	0.6
145.93803	0.3
152.05698	6.4
152.07034	73.4
153.04053	2.3
153.05423	1.2
153.07402	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	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
51.02378	0.4
51.30625	0.4
53.03948	0.7
53.69827	0.4
55.01847	0.4
55.86755	0.4
56.96553	1.8
63.69847	0.4
65.03931	0.5
67.05515	0.6
69.03416	0.5
71.30192	0.5
77.03910	3.7
79.05482	45.0
80.05804	0.8
81.07043	7.4
82.06537	0.8
91.05470	7.0
95.04963	5.8
96.08107	0.7
97.73191	0.5
104.19543	0.4
105.03396	0.5
105.04499	1.6
106.04140	0.9
106.06541	46.5
107.04939	100.0
108.04544	0.7
108.05283	2.0
109.05161	1.0
109.06502	7.2
110.03526	5.6
110.06013	1.6
114.47389	0.4
122.06078	0.8
123.06796	1.6
124.07559	4.4
128.04553	1.4
129.00313	0.5
129.03957	2.6
133.88895	0.4
134.06000	31.6
135.03018	8.5
135.04398	31.6
136.04750	0.6
138.76216	0.5
145.01849	0.5
147.01341	1.1
147.04996	1.9
152.05667	36.8
152.07042	69.3
153.04083	11.6
153.05379	1.5
153.07388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	Methyl salicylate
Peak:m/z	Relative Intensity
53.03929	0.3
55.01859	0.4
55.05500	1.7
57.03421	0.6
59.04976	0.3
63.40740	0.2
65.03590	0.3
65.03929	5.0
67.05495	1.3
69.03415	0.8
69.07060	1.3
70.95848	0.2
71.04975	1.1
73.06544	0.5
79.05481	3.6
80.05824	0.3
81.03396	0.4
81.07049	3.6
82.66334	0.2
83.04961	1.6
83.08616	0.3
91.05470	1.3
92.02641	0.2
93.03387	2.1
93.07032	2.4
94.04153	0.2
95.04955	6.9
95.08585	1.0
97.06519	1.4
98.03658	0.3
105.04478	0.3
105.07015	0.5
107.04944	1.6
107.08571	3.5
108.04507	0.2
108.05250	0.3
108.08110	0.6
109.06508	1.4
109.10149	0.9
110.09659	1.5
111.04433	2.1
111.08066	1.6
117.07070	0.3
119.05996	0.2
121.02847	100.0
122.03171	2.2
125.05034	0.2
125.05987	0.4
125.09622	0.5
130.96275	0.3
135.04398	7.1
135.08025	1.0
135.11665	1.2
136.04813	0.3
136.07570	0.4
136.11201	0.2
137.27454	0.2
139.03882	0.2
148.97316	0.4
153.05437	5.0
153.06628	0.3
153.09088	1.7
153.12671	1.3
154.04839	0.2
154.08574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	Resorcinol monoacetate
Peak:m/z	Relative Intensity
51.02369	0.8
52.03160	1.1
53.03941	2.6
54.04727	1.1
55.01866	2.7
55.05522	0.9
59.47107	0.7
65.03936	100.0
66.04273	2.2
67.05499	13.4
68.99792	1.1
69.03430	2.1
70.95872	1.1
71.41354	0.9
71.95247	1.2
76.27000	0.7
76.54681	0.7
77.03924	2.9
79.05492	2.8
81.03399	4.0
82.04193	27.8
83.04971	1.8
85.02911	1.0
91.05481	0.8
92.02602	1.0
93.03397	12.5
93.07063	1.0
94.04221	1.6
95.01321	24.8
95.04956	12.9
96.05785	0.8
97.06547	3.7
98.03666	1.7
105.04503	3.2
107.04939	1.9
108.02084	17.3
110.03648	74.7
111.04437	49.0
112.04798	0.8
115.21210	0.8
121.03991	2.6
125.05981	46.5
135.08035	0.8
136.03943	1.0
137.02350	2.9
138.03096	8.9
138.04022	0.9
153.05463	17.7
153.06604	1.5
153.09088	2.2
153.10219	1.6
160.76212	0.7
168.90143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	dl-Mandelic acid
Peak:m/z	Relative Intensity
50.01595	0.3
50.04545	0.2
51.02377	0.5
51.31377	0.2
51.33443	0.3
53.03942	2.0
55.01852	0.3
55.05501	0.8
56.13850	0.2
56.96547	0.8
65.03932	0.6
67.05489	0.6
68.96312	0.3
68.99780	0.4
69.03403	0.4
69.07056	0.4
69.28503	1.4
70.95858	0.3
77.03918	2.8
79.05485	66.5
80.05807	2.0
81.03413	0.4
81.07049	1.1
82.06541	0.5
83.04982	2.3
83.29729	0.3
84.47849	0.2
89.42673	0.3
91.05473	1.5
93.07044	0.5
95.04958	13.8
96.05296	0.3
97.06493	0.9
105.04507	4.5
107.04942	100.0
107.08566	0.7
108.05250	3.7
108.05843	0.3
109.06458	0.4
111.04425	1.0
111.05542	0.3
111.08052	0.5
125.05984	0.8
125.09519	0.3
127.00732	0.3
135.04405	12.1
135.06346	0.8
136.04750	0.9
136.07524	0.5
145.01688	0.3
148.97334	0.9
153.05458	11.3
153.07446	1.4
153.09068	0.5
153.12711	0.6
154.04832	0.3
154.08568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
50.19364	0.6
53.03940	1.3
55.01861	2.8
55.05253	1.0
55.05507	15.0
56.87854	0.6
57.03428	2.7
57.07061	0.6
59.05003	3.3
64.43822	0.6
65.03935	6.4
67.05499	24.9
69.03420	8.6
69.07059	5.8
70.94255	0.7
70.95827	0.6
71.04980	3.4
71.43910	0.6
73.06568	3.3
73.52311	0.6
77.03940	0.9
79.05486	35.2
80.05795	1.0
81.07048	23.6
83.04972	24.9
83.08616	1.7
88.45466	0.7
89.23322	0.5
91.05471	34.6
92.05782	0.9
93.03395	2.5
93.07036	19.2
93.15289	0.6
95.04420	0.6
95.04955	14.7
95.08601	2.5
97.02877	1.3
97.06528	4.8
97.10124	0.8
100.14756	0.7
105.04513	1.0
105.07018	16.2
107.04935	2.8
107.08582	100.0
108.08913	2.6
109.06507	11.8
109.10148	10.3
110.03681	1.1
111.04430	5.5
111.06882	1.3
111.08065	32.0
111.87099	0.6
117.07050	0.9
119.06065	5.9
119.08563	0.6
121.02870	0.8
125.05980	2.3
125.09621	24.0
126.05478	0.8
126.09060	0.7
126.09935	0.8
127.89378	0.6
128.47044	0.6
130.96266	0.9
135.08037	10.6
135.11690	3.4
136.03905	1.1
139.07495	3.0
140.90448	0.7
148.97318	1.0
150.84335	0.6
153.01842	0.9
153.05458	4.2
153.06511	0.9
153.09094	10.4
153.10229	1.2
153.12758	2.6
154.04993	1.2
154.08627	10.6
154.09746	0.6
174.05733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
55.01884	1.6
55.05509	11.4
57.03448	5.5
57.07063	3.2
57.60374	1.1
67.05502	27.2
69.03403	1.6
69.07066	50.2
69.07447	2.4
70.95858	2.7
71.04993	1.8
71.95258	15.0
79.05490	26.9
79.66650	1.0
81.07055	34.9
83.04980	3.7
83.08624	5.7
85.06538	1.4
88.96906	1.1
91.05479	4.6
91.70615	1.0
93.06439	2.2
93.07039	44.0
95.04949	3.0
95.08599	17.7
97.06534	18.0
97.46503	1.1
98.22646	1.6
105.07028	1.4
107.04998	1.3
107.06065	1.5
107.08588	51.4
108.04471	1.4
109.10153	31.3
111.03947	1.7
111.08066	6.2
113.05610	1.0
125.05951	2.4
126.05498	1.4
126.06338	2.0
135.11687	100.0
136.03893	2.5
136.12004	2.7
138.05054	1.7
153.05446	2.6
153.06470	2.8
153.07552	2.4
153.10205	3.2
153.12735	81.7
154.04980	1.4
154.08597	1.8
154.13083	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	153.1273
Annotation	2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol
Peak:m/z	Relative Intensity
51.64093	0.7
53.03925	1.1
55.01855	2.0
55.05253	1.2
55.05503	14.7
57.03429	3.6
57.07062	3.5
59.04998	4.1
59.34573	0.7
65.03931	2.3
67.05498	8.6
68.90376	0.7
68.96320	1.0
69.03426	4.4
69.07067	6.1
69.92756	1.4
69.93079	1.1
70.94254	0.9
71.04977	11.5
73.06552	8.2
74.61338	0.7
79.05031	1.5
79.05481	18.5
81.03394	1.4
81.07043	44.2
82.07386	0.8
83.04967	22.9
83.08604	2.3
91.05470	9.6
91.05994	1.2
93.07033	25.8
95.04955	100.0
95.08587	5.4
96.05291	2.2
97.06525	11.3
98.23422	1.0
105.04513	1.3
105.06995	3.8
107.04934	2.7
107.08578	28.5
109.06509	10.5
109.10139	6.9
110.06032	0.9
111.04457	1.7
111.08061	19.9
111.96868	0.7
115.05432	0.8
117.07043	1.1
119.08548	1.1
125.06013	1.8
125.09605	6.0
135.08014	5.5
135.11664	9.7
138.03021	0.9
139.06267	0.7
139.07532	0.8
148.97375	1.4
153.05473	3.6
153.07445	0.7
153.07884	0.8
153.09108	6.8
153.10161	1.2
153.12732	7.8
153.13850	1.1
154.08598	15.9
165.25775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64518	1.2
52.72338	1.3
53.03943	5.3
54.00748	1.3
55.05502	18.4
57.03427	1.6
57.07074	4.3
59.04989	10.6
65.03942	7.2
67.05500	10.1
69.03425	5.0
69.07062	29.6
70.95842	3.2
71.04987	30.3
71.95257	3.7
72.09003	1.5
73.06548	21.1
79.05480	30.8
80.05021	1.6
81.03439	1.7
81.07047	100.0
82.07384	2.4
83.04974	6.4
83.07362	1.5
83.08615	5.3
91.05476	13.5
93.07037	47.1
95.04968	11.1
95.08595	15.0
97.06511	11.4
105.04514	2.5
105.07021	3.7
107.04940	3.5
107.08585	46.9
107.57130	1.5
109.06518	3.0
109.10147	13.1
110.03668	2.6
110.07291	1.5
111.04416	4.4
111.08071	7.3
119.06091	1.6
119.08578	2.2
121.06501	3.5
125.05985	4.8
135.11671	24.8
135.12628	2.0
138.03102	1.4
143.14670	1.4
148.97403	2.4
153.01843	3.0
153.05452	7.6
153.06607	4.1
153.07883	1.6
153.09085	6.6
153.10123	1.7
153.12738	16.0
154.04997	2.7
154.08638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03931	4.7
55.01874	1.7
55.05506	15.2
57.07064	1.3
59.04993	10.1
65.03928	3.5
67.05499	13.9
69.07062	10.4
69.31661	4.3
69.32064	3.0
70.94225	1.4
71.04985	37.7
72.11453	1.2
73.06548	23.7
77.03924	1.6
79.05484	51.7
80.05830	1.7
81.03413	1.8
81.07048	100.0
83.04971	4.9
83.08611	2.1
91.05473	10.8
93.07033	37.9
95.04919	6.9
95.08597	9.1
97.06518	7.6
105.04469	2.0
105.07006	3.2
107.04951	24.2
107.08582	41.8
109.02853	1.7
109.06512	1.5
109.10141	6.4
111.04429	5.2
111.08087	5.8
119.08578	3.1
125.05980	1.4
135.04330	3.1
135.10741	2.2
135.11685	24.7
138.97644	1.3
153.05415	3.5
153.12747	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03941	1.5
55.01867	1.5
55.05505	7.4
57.03421	3.1
57.07069	1.4
57.33764	0.7
59.04987	1.7
65.03942	4.0
65.04219	0.8
67.05495	14.6
69.03410	2.2
69.07061	15.6
69.09167	5.3
70.94212	0.8
70.95858	1.4
71.04971	3.0
71.95253	1.4
77.03902	0.8
79.05482	16.4
81.03400	0.8
81.07046	18.9
83.04969	8.5
83.08613	3.3
85.06535	1.0
87.33797	0.7
91.05470	11.0
92.08173	0.8
93.03416	0.9
93.07034	78.0
94.07342	0.9
95.04959	6.5
95.08597	61.9
96.08967	1.0
97.06520	17.2
105.04511	1.7
105.07026	3.8
107.04967	3.3
107.08582	100.0
108.04527	0.8
108.05284	0.9
108.08110	0.8
108.08916	2.3
109.06507	2.4
109.10145	19.8
110.03655	1.0
111.04442	3.4
111.05587	1.1
111.08057	3.0
119.06062	1.1
119.08559	0.8
121.02853	38.1
123.11666	0.7
125.05978	2.3
125.07090	0.9
125.09596	0.9
126.05508	1.3
130.96327	1.5
135.08011	1.7
135.11681	39.7
136.03926	0.9
136.12030	1.2
138.03125	0.9
148.97362	1.2
153.05431	3.9
153.06586	2.8
153.09074	2.8
153.10132	0.7
153.12729	22.9
153.13820	1.6
154.04967	1.7
154.08586	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.28028	0.8
53.03935	1.2
55.05507	8.9
57.03433	1.9
57.07068	2.2
58.18768	0.9
59.04993	2.7
65.03929	2.7
67.05500	12.9
68.96294	1.6
69.03442	2.3
69.07066	12.9
70.94274	1.2
70.95851	1.5
71.04989	6.7
71.95259	2.0
73.06541	2.2
78.49066	0.9
79.05482	15.5
80.05009	0.9
81.07046	24.0
81.07502	2.0
82.06532	1.1
83.04974	7.7
83.07353	1.1
83.08615	4.1
91.05479	9.6
93.03371	1.5
93.07034	67.9
93.80681	0.8
94.07363	1.9
95.04968	4.7
95.08599	52.2
96.08925	1.7
97.06524	11.1
104.19678	1.0
105.04530	1.2
105.07029	2.8
107.04948	2.2
107.08581	100.0
108.04462	1.0
108.08874	1.9
109.06521	2.2
109.10149	14.9
111.04424	3.2
111.08080	3.3
119.06059	1.9
121.02822	1.6
125.06040	2.2
135.04382	1.0
135.08070	1.3
135.11681	36.8
136.03928	1.1
148.97319	2.2
153.05469	3.7
153.06554	1.8
153.09149	2.6
153.10248	2.0
153.12724	17.5
153.13850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.34013	1.3
53.03934	3.7
55.05501	17.9
57.03421	1.6
57.07055	1.8
59.04993	10.6
65.03930	7.3
67.05497	9.0
69.03419	2.5
69.07061	13.4
69.44705	6.0
71.04628	2.1
71.04986	27.1
73.06538	16.1
77.03920	1.3
79.05482	31.6
81.07045	100.0
83.04958	4.6
83.08591	2.8
85.06536	1.6
91.05471	12.8
93.03380	3.6
93.07030	41.9
95.04956	27.6
95.08566	12.2
97.06533	8.9
105.04504	2.6
105.07004	4.2
107.08582	42.9
109.06501	18.2
109.10143	11.1
111.04402	4.5
111.08054	10.1
119.08606	1.5
120.27052	1.4
120.92380	1.5
121.02852	98.0
121.03788	3.1
122.03197	1.9
125.09612	3.9
135.08012	4.7
135.11668	22.5
153.05426	5.1
153.06488	1.8
153.09169	2.6
153.10205	1.6
153.12729	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	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03933	3.5
55.01853	2.0
55.05503	17.3
57.03428	1.8
57.07061	0.9
59.04993	8.4
59.71025	0.8
61.31800	0.9
65.03932	6.7
67.05496	16.8
68.96310	1.5
69.03409	4.3
69.07054	14.6
70.79938	1.3
70.94240	1.1
71.04981	29.0
73.06538	19.9
77.03909	1.0
79.05480	43.6
81.07043	100.0
82.07369	1.5
83.04971	10.4
83.08624	2.4
85.02885	1.4
85.06534	1.8
88.66277	0.8
89.95669	0.9
91.05470	14.7
93.03370	4.4
93.07030	45.7
95.04949	27.1
95.08597	9.7
97.06514	13.8
105.04492	2.9
105.06971	5.0
107.04933	5.5
107.08577	55.5
108.08901	1.7
109.06503	8.4
109.10129	10.8
109.98870	1.0
111.04422	9.3
111.08059	9.3
117.07034	1.9
119.06026	2.1
119.08538	1.6
121.02852	26.6
125.05975	3.5
125.09626	2.4
126.05529	1.2
130.96327	1.1
135.04393	11.1
135.08044	10.0
135.11668	23.9
138.03062	3.0
148.97356	3.0
153.01778	4.5
153.05424	12.8
153.06541	1.0
153.09068	4.5
153.12730	13.3
154.05000	2.0
154.08601	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	(R)-(+)-Pulegone
Peak:m/z	Relative Intensity
52.73543	0.9
53.03936	2.2
55.01848	1.4
55.05504	19.2
56.05832	1.1
57.03415	2.3
57.07056	2.7
59.04990	10.0
65.03924	3.8
65.27875	1.0
67.02963	1.4
67.05501	10.2
69.03404	1.6
69.07054	14.3
71.04982	28.4
73.06543	19.5
77.03862	0.9
79.05480	36.6
81.03407	1.3
81.07043	100.0
82.07381	2.3
83.04964	8.0
83.08611	3.9
86.98158	1.1
91.05462	13.5
93.07029	52.1
95.04965	6.1
95.08595	12.3
97.06506	10.6
105.04503	1.6
105.07008	4.1
106.85323	1.0
107.04942	7.2
107.06127	1.2
107.08575	49.0
108.04469	1.0
108.05249	1.2
109.06497	4.6
109.10139	14.4
110.03639	2.2
111.04419	3.6
111.05551	1.4
111.08064	9.3
117.06995	1.0
119.08568	2.6
121.02853	4.9
125.06026	1.1
125.09576	3.5
130.96298	1.7
135.04430	2.0
135.08040	2.7
135.11668	29.5
135.12636	1.9
138.03058	1.4
148.97369	1.6
153.05493	6.1
153.09067	2.4
153.12701	16.9
154.04886	1.8
159.85912	1.1
164.06981	1.0
166.42599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	(R)-(+)-Pulegone
Peak:m/z	Relative Intensity
53.03930	3.0
55.01843	1.2
55.05502	19.6
57.03435	2.5
57.07056	2.7
59.04994	14.0
59.41653	1.1
64.23303	1.1
65.03928	6.3
65.52699	1.1
67.02991	1.9
67.05496	15.9
68.00111	1.1
68.96306	1.5
69.03423	4.4
69.06706	2.3
69.07061	32.7
70.95865	1.7
71.04981	28.1
71.95235	3.0
72.60699	1.0
73.06544	16.9
79.05041	2.2
79.05482	30.9
81.07044	100.0
83.01385	1.1
83.04961	6.3
83.08611	5.1
85.06528	3.8
86.13951	1.2
91.05467	12.9
93.03391	3.1
93.07030	52.1
95.04945	9.4
95.08588	22.4
97.06517	15.6
98.22647	2.1
105.04524	1.7
105.07018	3.4
107.04922	3.6
107.06103	1.4
107.08579	51.2
108.04494	1.3
109.06506	4.4
109.10152	25.7
109.62540	1.0
110.03648	1.4
111.04428	5.1
111.08069	9.9
111.11706	2.3
119.08559	3.3
121.02837	2.6
125.05984	4.3
125.07043	1.1
125.09576	1.3
130.96280	2.2
135.08022	3.2
135.11671	27.3
135.12648	2.1
148.97401	2.6
153.05463	7.3
153.06544	2.2
153.09171	5.7
153.10179	1.9
153.12730	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.64268	1.9
53.03936	4.0
55.01865	2.9
55.05508	30.1
57.03423	3.8
57.07059	4.5
57.20271	1.9
59.04982	8.6
65.03939	12.6
67.02979	2.1
67.05492	18.0
68.99782	3.1
69.03425	10.4
69.07055	51.3
69.17855	8.1
69.18253	4.3
70.94249	2.0
70.95858	4.5
71.04981	32.7
71.95257	7.4
73.06549	22.8
75.04477	2.2
79.05477	47.6
81.03390	2.3
81.07043	100.0
82.04185	2.1
82.07380	3.4
83.04969	12.9
83.07334	1.8
83.08608	12.2
85.02880	2.1
85.06560	2.4
91.05462	19.3
93.03405	2.8
93.06434	3.7
93.07029	62.4
94.07356	1.9
95.04953	16.0
95.08588	27.1
97.06517	26.6
105.04462	3.5
105.07014	7.7
107.04937	7.0
107.06068	4.5
107.08573	65.0
108.04488	3.2
108.05239	2.1
109.06525	6.3
109.10136	22.0
110.03648	7.0
111.04446	15.7
111.05505	2.8
111.08044	13.7
111.11678	3.9
117.00726	1.8
119.08540	2.8
121.02802	4.7
121.06487	6.8
125.05979	12.5
125.06949	3.0
125.09618	5.7
125.52585	1.9
126.05540	2.7
130.96298	2.6
131.85799	1.8
135.04451	2.5
135.08040	4.2
135.11665	33.5
136.03952	2.9
138.03119	3.3
138.06717	2.2
148.97346	6.3
153.01817	16.3
153.05443	18.9
153.06615	5.3
153.07878	2.8
153.09079	11.9
153.10207	4.5
153.12740	30.4
154.04987	5.1
154.08604	3.3
168.50771	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
56.96558	100.0
58.99858	2.0
67.05492	0.7
69.03426	0.4
69.96181	0.7
70.10708	0.9
70.95852	1.5
70.98115	0.4
71.94090	0.6
71.95256	1.1
72.08165	0.7
72.93779	1.8
72.96029	1.0
74.97624	1.4
77.00917	0.8
83.04959	0.6
83.06089	1.0
85.07653	0.7
88.96864	0.4
93.04533	0.7
95.04997	0.4
95.06063	1.2
97.02857	0.4
98.22723	0.4
98.97573	1.4
98.98466	0.8
99.04425	0.3
101.00835	1.6
110.07153	9.5
111.04444	1.0
111.98457	0.5
112.99110	0.9
113.00877	1.1
113.96381	0.4
119.01912	5.7
127.00662	11.1
127.07525	0.4
129.02228	31.8
129.99434	0.3
130.04208	0.5
131.00146	0.9
131.01878	4.9
131.96123	2.6
132.01956	0.8
132.05042	1.7
132.05811	1.0
132.95792	1.9
133.03470	0.7
137.00795	0.8
137.02953	1.2
137.07887	0.7
138.01860	0.3
142.03462	0.6
145.01706	7.8
145.03416	0.5
147.03267	44.2
148.03664	0.5
149.02878	0.7
149.97162	2.8
150.06718	1.1
150.96857	2.5
151.06310	0.4
154.90669	0.3
154.94093	0.8
155.00145	2.9
155.01863	10.1
155.06996	1.6
155.08951	0.4
155.11755	0.8
156.02063	0.4
156.07677	0.7
157.23143	0.3
163.02753	1.1
165.04335	8.9
170.04865	0.4
172.95299	0.7
173.01195	16.2
173.02914	9.6
174.03041	0.4
174.06068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66263	0.4
54.93835	0.7
55.01864	1.2
55.05502	3.8
55.93504	0.7
56.96554	100.0
64.97121	0.4
67.05492	3.2
69.03426	1.7
69.07051	0.4
69.66232	0.9
69.96164	7.1
70.02934	0.4
70.95851	14.5
71.01334	1.1
71.04989	1.2
71.94093	2.1
71.95239	0.7
72.08154	0.8
72.93775	11.6
72.96046	1.1
73.02914	0.5
74.97575	2.1
79.05481	1.4
81.03401	2.1
81.04513	0.6
81.07035	2.8
82.05288	0.5
82.06597	0.6
83.04970	5.5
83.06098	1.8
85.02895	2.2
85.06532	1.1
85.07654	1.2
87.97196	0.4
88.96889	4.3
89.02402	0.4
89.67825	0.4
89.82038	0.4
90.04819	0.4
90.94817	3.9
91.05462	1.9
93.04506	1.5
93.07031	1.8
95.04954	3.0
95.06062	1.6
95.08567	1.8
95.38235	0.4
96.04478	0.7
98.22785	0.7
98.97567	0.8
98.98454	5.3
99.04436	2.2
103.05471	0.5
105.04492	0.5
106.97913	0.8
107.06034	0.5
108.95840	1.0
109.02865	1.3
109.04006	0.9
109.06485	2.2
109.07635	0.9
109.10117	1.3
110.05981	1.1
110.07146	15.8
111.04431	4.5
111.08053	0.4
111.98459	6.0
112.01588	0.9
113.05991	3.7
113.96375	2.2
113.98655	0.5
114.94837	0.5
116.98565	0.5
119.01899	1.7
119.04895	0.9
121.06479	3.6
123.04398	0.7
125.02322	0.7
127.00660	8.1
127.03883	5.9
127.07533	2.6
129.02216	19.9
129.05440	0.8
129.99504	3.4
131.01884	1.9
131.96115	12.4
131.97382	1.3
131.99643	1.3
132.04964	0.8
132.95810	15.7
133.03416	0.6
134.99628	0.4
137.02266	5.3
137.05959	2.3
137.07066	6.7
137.09595	0.5
138.01830	2.4
138.02748	0.5
138.05408	0.6
138.09129	3.9
140.04672	2.9
141.01799	0.7
145.01703	9.5
147.03259	58.3
148.03593	0.6
149.02917	0.5
149.97173	28.5
150.00703	1.3
150.06052	0.7
150.96852	35.4
154.90691	0.6
154.94107	1.3
154.97710	0.6
155.00180	1.2
155.01825	1.2
155.03354	4.3
155.05591	0.6
155.07008	10.6
155.08157	1.2
155.11748	1.7
155.97408	1.3
156.07645	1.2
156.10179	0.6
156.13759	0.7
163.02721	1.6
165.04314	14.1
167.98210	2.9
168.97981	1.1
170.04808	0.5
172.95255	3.8
172.98819	0.9
173.01202	14.4
173.02849	1.2
173.98471	1.9
174.06142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.3
55.05497	0.5
56.96558	100.0
65.03917	0.4
67.05497	0.7
70.95864	1.6
71.05960	0.3
71.95253	1.1
72.93774	1.4
72.96045	0.9
74.18365	0.2
74.97573	1.5
79.05491	0.8
81.03397	0.3
81.07047	0.6
83.04965	0.7
84.69907	0.2
91.05475	1.6
93.07022	2.2
95.04964	0.7
95.08597	1.8
98.97552	1.6
98.98489	0.6
99.04414	0.4
101.29983	0.3
102.93500	0.3
103.05448	0.4
108.99692	0.3
109.02932	0.3
109.06498	0.7
111.04420	1.0
111.98453	0.5
113.05961	0.6
116.98630	0.7
119.04921	1.1
120.98878	0.2
121.06483	4.9
122.11972	0.2
127.00668	12.7
127.05856	0.2
129.02226	33.5
130.02574	0.5
131.96124	0.9
132.95831	1.7
134.99631	0.3
137.02321	0.7
137.05969	1.0
138.09117	4.0
145.01701	7.6
147.03268	47.5
148.03575	0.4
149.97171	0.8
150.96854	2.5
155.00130	2.8
155.03339	0.4
155.07008	1.6
156.10271	0.3
163.02747	0.9
165.04338	9.0
170.04878	0.3
173.01198	16.0
173.98488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0337
Annotation	neopatulin
Peak:m/z	Relative Intensity
51.81853	0.6
53.03936	2.5
55.01862	0.9
55.05499	2.0
56.96557	1.6
67.01862	4.8
67.05493	1.8
68.99781	5.6
69.03415	1.4
69.07058	0.7
69.96152	1.2
70.95856	11.7
71.01345	18.0
71.04988	1.2
71.34449	0.8
72.93774	11.1
81.03403	22.1
81.07059	0.8
83.04983	3.4
85.02892	54.4
86.03227	0.9
88.96874	2.1
90.94807	2.8
93.51953	0.6
95.01338	0.6
95.04939	2.9
98.98470	2.9
99.04439	5.5
105.04487	0.7
109.02858	12.2
110.07153	2.4
111.04417	2.7
111.98472	3.9
112.01547	0.9
113.02348	5.0
113.05965	2.1
113.96406	1.1
125.02275	0.8
127.03896	100.0
127.07555	1.3
128.04219	2.3
129.99474	2.0
131.96120	3.4
132.95816	14.2
137.02322	2.1
137.03369	1.3
138.01872	0.8
140.04659	2.5
149.97171	4.9
150.96861	19.4
153.01772	4.9
155.03363	73.9
155.06917	5.6
156.03780	1.3
171.02858	2.0
173.98441	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1429
Annotation	trans-p-Menth-8-en-7-ol
Peak:m/z	Relative Intensity
53.03942	1.2
54.93823	0.9
55.01862	2.8
55.05496	21.0
55.62067	1.0
55.93504	5.2
56.96557	4.0
57.03421	3.5
57.07066	8.3
58.15724	1.0
59.04995	7.9
65.03922	3.0
67.05489	26.4
69.03425	3.1
69.07053	58.9
69.96157	9.7
69.98899	2.1
70.07374	0.9
70.95849	46.4
71.01305	1.0
71.04975	46.7
71.08605	1.1
71.94081	3.9
72.93772	45.4
77.03953	1.6
79.05476	6.8
81.03404	1.6
81.07039	69.6
82.07366	1.8
83.04963	17.9
83.08592	8.3
85.06512	9.0
86.06049	0.9
88.96883	15.5
90.94804	15.9
91.05470	3.0
93.07032	2.8
95.04948	27.4
95.06023	1.3
95.08582	52.8
96.08916	1.0
97.06509	3.4
97.10146	4.1
98.98443	20.2
99.04432	10.0
99.08055	6.3
105.04494	1.7
106.97888	1.5
108.95846	2.3
109.06510	6.5
109.07684	1.0
109.10131	23.3
110.06048	2.0
110.07145	3.6
111.04418	9.2
111.08071	1.9
111.98454	14.0
113.05984	8.7
113.95088	1.0
113.96381	10.1
117.05515	0.9
117.86902	1.0
122.72726	0.8
122.92339	0.8
123.04390	6.6
125.02330	4.4
127.03915	2.7
127.07517	6.6
129.05449	2.5
129.99503	9.1
131.96135	17.0
131.97409	6.3
131.99637	1.8
132.95799	45.8
137.02333	0.9
137.05983	2.7
137.07068	2.9
137.09586	6.2
137.13231	27.2
138.82782	1.0
140.04642	10.3
149.97162	33.4
150.00656	1.5
150.96852	100.0
153.07062	0.9
155.03358	3.3
155.05840	1.7
155.07024	25.3
155.08456	4.8
155.10620	2.8
155.14278	20.8
155.15480	1.8
155.97389	4.7
156.08131	2.0
156.14626	1.5
167.98219	4.6
168.21780	0.9
168.97963	3.6
172.98798	2.0
173.98491	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	155.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
54.93823	0.9
55.01862	2.8
55.05496	21.0
55.62067	1.0
55.93504	5.2
56.96557	4.0
57.03421	3.5
57.07066	8.3
58.15724	1.0
59.04995	7.9
65.03922	3.0
67.05489	26.4
69.03425	3.1
69.07053	58.9
69.96157	9.7
69.98899	2.1
70.07374	0.9
70.95849	46.4
71.01305	1.0
71.04975	46.7
71.08605	1.1
71.94081	3.9
72.93772	45.4
77.03953	1.6
79.05476	6.8
81.03404	1.6
81.07039	69.6
82.07366	1.8
83.04963	17.9
83.08592	8.3
85.06512	9.0
86.06049	0.9
88.96883	15.5
90.94804	15.9
91.05470	3.0
93.07032	2.8
95.04948	27.4
95.06023	1.3
95.08582	52.8
96.08916	1.0
97.06509	3.4
97.10146	4.1
98.98443	20.2
99.04432	10.0
99.08055	6.3
105.04494	1.7
106.97888	1.5
108.95846	2.3
109.06510	6.5
109.07684	1.0
109.10131	23.3
110.06048	2.0
110.07145	3.6
111.04418	9.2
111.08071	1.9
111.98454	14.0
113.05984	8.7
113.95088	1.0
113.96381	10.1
117.05515	0.9
117.86902	1.0
122.72726	0.8
122.92339	0.8
123.04390	6.6
125.02330	4.4
127.03915	2.7
127.07517	6.6
129.05449	2.5
129.99503	9.1
131.96135	17.0
131.97409	6.3
131.99637	1.8
132.95799	45.8
137.02333	0.9
137.05983	2.7
137.07068	2.9
137.09586	6.2
137.13231	27.2
138.82782	1.0
140.04642	10.3
149.97162	33.4
150.00656	1.5
150.96852	100.0
153.07062	0.9
155.03358	3.3
155.05840	1.7
155.07024	25.3
155.08456	4.8
155.10620	2.8
155.14278	20.8
155.15480	1.8
155.97389	4.7
156.08131	2.0
156.14626	1.5
167.98219	4.6
168.21780	0.9
168.97963	3.6
172.98798	2.0
173.98491	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	156.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68245	0.6
67.04693	0.7
70.06570	2.8
70.44480	1.3
71.27261	0.6
74.09705	23.6
82.05286	1.3
83.06076	5.7
93.04498	4.7
95.06070	4.3
96.96908	4.8
98.63456	0.7
105.68169	0.6
110.07143	54.2
111.05548	1.0
112.05251	4.2
130.06276	25.3
156.04184	100.0
156.07594	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	157.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01866	100.0
55.05510	1.0
56.02205	1.0
56.05018	0.5
56.96561	10.7
57.03432	3.0
58.96175	0.4
58.99872	0.5
60.34092	0.4
60.95846	0.6
61.02924	0.4
65.03934	0.8
67.01850	0.3
67.05518	0.7
68.02638	1.3
68.05013	0.4
68.99751	0.4
69.03423	2.9
70.06578	2.4
71.01340	1.3
71.04987	0.7
71.43288	0.5
72.08147	1.1
73.02907	5.3
81.03422	1.5
83.01329	7.7
83.04977	5.3
83.06111	1.2
84.06442	0.6
84.08118	1.1
84.96048	0.4
84.99245	4.0
85.02455	0.4
85.02879	1.8
87.04455	0.5
95.04964	1.5
97.02878	4.3
97.06520	0.5
97.87723	0.3
98.06052	1.1
98.97570	6.6
99.04446	0.8
101.00864	0.4
101.02365	1.5
101.06020	0.4
102.00972	0.4
102.09171	0.4
103.02448	0.6
110.07161	0.8
110.97592	0.5
111.00804	3.5
111.04430	15.9
111.05542	2.8
111.06828	0.6
111.07466	3.3
111.48785	0.4
112.07585	2.0
112.08720	0.7
114.05539	0.8
115.02440	0.5
115.04032	0.4
116.07066	0.5
116.97227	0.9
116.98608	7.1
118.03504	0.4
119.01891	2.5
120.01995	2.3
121.01665	0.9
128.06210	0.5
129.01843	1.4
129.07008	0.6
131.01910	0.5
131.05527	9.3
133.01649	1.0
133.03455	1.6
134.02986	1.4
134.99648	4.9
137.02956	0.6
138.03055	1.4
139.02670	0.4
139.03876	0.7
139.08615	0.5
140.07040	0.9
140.98534	0.4
143.03615	0.8
146.99678	0.8
147.05048	0.7
149.06578	12.1
150.06662	0.5
152.96768	0.3
153.00693	0.7
157.01329	7.6
157.03548	1.3
157.04939	29.0
157.09720	1.2
158.05316	0.5
158.08202	0.7
158.09567	1.3
158.11739	0.7
158.15408	1.0
158.99622	0.9
160.97523	0.5
161.04749	0.7
163.54875	0.4
170.99658	0.4
175.02689	1.9
175.04518	4.6
175.06094	0.6
177.00722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0495
Annotation	(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
53.03942	2.3
55.01864	1.9
55.05503	1.0
56.96553	0.4
65.03937	1.3
65.84550	0.3
67.01858	0.7
67.05497	0.5
68.02637	5.8
68.99773	0.6
69.03426	1.9
70.80787	0.7
70.95882	0.3
71.01337	0.7
74.93814	0.4
79.01847	1.2
81.03416	1.1
83.01316	1.8
83.04970	14.5
87.04484	1.0
94.81137	0.3
95.04966	3.3
97.02865	2.4
98.97569	3.0
100.66480	0.4
108.18008	0.3
111.04430	54.1
112.04759	1.1
116.97234	0.7
116.98594	2.4
128.06212	0.5
130.06555	0.6
130.91472	0.4
134.99664	0.8
140.04672	0.7
142.02681	0.4
149.57697	0.4
157.04944	100.0
158.05316	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	157.0495
Annotation	(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
53.03939	1.4
55.01871	1.5
55.05507	1.2
56.29471	0.3
56.96560	1.5
57.93536	0.4
65.03924	1.6
67.01859	0.5
67.05492	0.4
68.02641	4.9
68.99776	0.4
69.03413	1.7
69.07061	0.7
70.06586	0.4
70.56725	0.5
70.95863	0.5
71.04974	0.5
72.93761	0.4
75.00175	0.3
79.01830	0.7
81.03409	1.1
83.01352	1.3
83.04973	11.9
87.04446	1.0
95.04958	3.3
97.02872	2.3
97.06478	0.3
98.03709	0.3
98.97569	10.7
111.04426	54.8
112.04742	0.9
112.07566	0.3
113.06010	0.6
116.97269	2.3
116.98598	7.2
127.03959	0.3
129.04327	0.5
132.95842	0.4
133.95972	0.5
134.99635	3.1
135.14124	0.3
139.08617	0.3
145.84001	0.3
147.71954	0.3
150.96875	0.8
151.97006	1.2
152.96928	0.6
153.00734	0.3
157.04941	100.0
158.05284	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0496
Annotation	(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
53.03934	1.5
55.01860	1.7
55.05505	1.2
56.96561	2.3
57.03423	0.4
57.93567	0.6
59.04956	0.3
59.41219	0.3
65.03931	1.3
65.04234	0.3
67.01861	0.7
68.02641	5.0
68.99771	0.4
69.03410	2.2
69.10976	1.6
69.11377	0.5
70.06577	0.3
71.01351	0.5
71.04977	0.4
71.95890	0.3
72.08155	0.4
72.93768	0.5
79.01836	0.8
81.03412	1.2
83.01336	1.4
83.04974	11.6
85.06557	0.3
87.04457	1.1
93.07076	0.4
95.04973	3.0
97.02888	2.4
98.03635	0.3
98.97578	11.0
106.97948	0.3
111.04434	50.9
112.04741	1.0
112.07616	0.4
113.05992	0.3
115.03915	0.4
116.97255	2.9
116.98604	7.2
125.02340	0.4
127.32353	0.3
129.06990	0.9
130.06497	1.2
132.95839	0.4
133.96008	0.4
134.99634	3.0
140.04738	0.4
142.02603	0.4
150.96869	0.8
151.97049	0.8
152.96904	0.8
157.04948	100.0
158.05281	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	157.0646
Annotation	2-Naphthaldehyde
Peak:m/z	Relative Intensity
55.05525	1.1
56.96552	3.3
57.93562	0.8
68.02685	0.5
68.44789	0.4
69.07077	0.9
70.06630	0.8
70.78948	0.5
71.71810	0.4
72.93758	0.6
74.93180	0.5
74.93832	0.5
75.94594	0.7
83.00195	0.5
83.04987	1.8
83.08623	0.6
97.06499	0.5
98.97569	13.0
102.09171	0.7
103.05457	1.0
111.04431	6.3
112.07610	0.9
115.05417	1.2
116.97255	4.7
116.98598	11.6
116.99390	0.8
127.05415	1.9
128.06201	55.1
129.06987	81.7
130.06482	0.9
130.07327	2.9
133.97417	0.5
134.99631	6.9
142.07744	3.4
145.06470	6.6
151.97015	0.9
152.96896	1.2
153.00677	1.1
155.06003	11.0
156.06328	0.6
157.04985	10.0
157.06450	100.0
157.09914	3.1
158.06839	2.6
158.09636	2.2
158.15308	0.7
170.97916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
55.05505	0.5
56.11168	0.2
56.96560	0.8
57.93560	0.3
68.02650	0.2
69.03423	0.2
69.07053	0.4
69.55768	0.4
69.56176	0.6
70.06596	0.3
83.04983	0.4
83.08621	0.2
93.49796	0.2
95.04939	0.3
97.02857	0.2
97.06536	0.2
98.97576	3.8
101.10777	0.4
103.05464	0.8
111.04439	2.1
112.07661	0.2
115.05450	1.2
116.97276	1.2
116.98597	3.6
117.07057	0.2
127.05379	1.4
127.35809	0.2
128.06204	46.5
129.06990	54.6
130.07332	1.8
134.99641	1.8
141.06976	0.3
142.07755	1.6
145.06470	6.4
147.08041	0.2
151.97055	0.3
152.96915	0.3
155.06027	9.1
156.06508	0.2
157.06462	100.0
157.16959	1.7
158.05615	0.3
158.06821	3.5
158.08026	0.2
158.09653	0.7
158.15408	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	157.0647
Annotation	2-Naphthaldehyde
Peak:m/z	Relative Intensity
55.01875	0.4
56.96563	2.4
57.07077	0.6
57.93557	1.0
67.85572	0.3
68.02623	0.3
69.07070	0.6
70.06584	0.9
70.95831	0.4
71.42066	0.3
71.95909	0.3
72.93790	0.3
74.93828	0.6
75.94596	0.7
83.04965	0.7
84.08147	0.3
87.38120	0.3
97.06513	0.6
98.97570	11.3
101.10759	1.4
102.09141	0.6
103.05484	0.7
111.04438	1.3
112.07581	1.0
115.05421	1.2
116.07030	0.4
116.97257	3.5
116.98595	10.3
127.05405	1.3
128.06204	45.2
129.06990	52.0
130.00821	0.3
130.07310	1.6
133.96014	0.4
134.99631	8.1
139.08603	0.6
141.06915	0.3
142.07817	1.7
145.06464	4.5
150.96854	0.8
151.97076	0.7
152.96861	1.6
153.00691	1.5
155.06021	8.0
157.06462	100.0
157.16963	6.1
158.06831	3.0
158.09538	1.4
158.15366	0.7
170.97937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0647
Annotation	2-Naphthaldehyde
Peak:m/z	Relative Intensity
52.57919	0.5
53.03932	0.6
55.01862	1.0
55.05498	1.1
56.96552	4.4
57.07037	0.6
57.93555	2.1
65.03934	0.5
66.39316	0.5
68.02641	2.5
69.03416	2.4
69.07060	1.4
70.06581	0.8
70.95856	1.1
71.01328	1.0
71.04971	1.0
71.44068	0.6
72.93784	0.6
73.93819	0.7
74.93797	0.6
75.60919	0.5
75.94592	0.8
79.01823	0.7
81.03413	0.8
81.07028	0.6
83.04968	7.5
87.04465	1.3
93.07011	0.9
95.04961	2.0
97.02880	3.1
97.06509	1.0
98.06033	0.7
98.97571	17.7
102.09203	0.7
103.05404	1.3
110.30554	0.5
111.04428	21.9
111.08072	0.6
112.07555	0.8
115.05426	2.0
116.97240	5.5
116.98600	14.3
116.99400	1.1
127.05448	1.9
128.06203	59.1
129.06985	100.0
130.06488	0.9
130.07326	3.2
131.99538	0.6
134.99648	9.9
135.00591	0.5
138.96306	0.5
139.07507	0.8
142.02563	1.2
142.07744	3.7
142.51576	0.5
143.08507	0.6
145.06477	7.4
147.08083	0.8
150.96886	1.0
151.97096	1.6
152.96896	1.9
153.00734	1.5
155.06004	10.9
157.04959	54.3
157.06468	80.5
157.10062	2.0
158.05362	1.0
158.06833	2.6
158.09662	1.8
158.15376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91656	0.2
54.98623	0.3
56.96555	16.1
71.95245	0.8
96.87637	0.2
97.99169	0.2
98.97564	100.0
99.11736	0.2
99.97906	0.6
101.37587	0.2
116.00171	0.3
116.01917	0.4
116.98598	59.5
117.98952	0.3
119.01923	0.3
121.01623	0.4
134.01180	0.2
134.02943	1.2
134.04791	0.8
134.99632	20.6
135.03107	0.5
140.00148	0.7
144.71869	0.2
152.05806	0.3
153.00693	2.4
158.01242	0.7
158.09581	0.2
173.01274	0.2
174.00706	0.2
176.02225	0.2
176.05713	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	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13547	0.2
52.33128	0.2
54.98605	0.5
55.01868	0.3
56.05032	0.2
56.96558	22.6
57.03422	0.5
57.07062	0.3
57.93559	0.7
58.06582	0.7
61.02917	0.6
69.03059	0.4
69.03419	5.2
69.56163	0.6
69.56553	0.5
70.06577	1.8
71.01347	0.8
71.04987	0.7
71.95258	0.9
72.08134	0.4
73.02908	0.4
74.80962	0.3
81.03401	0.8
84.04515	0.4
84.08131	0.3
84.96012	0.3
85.02904	1.3
87.04480	0.3
89.72765	0.3
91.06407	0.2
97.02878	5.8
97.99197	0.3
98.23438	0.6
98.97571	100.0
99.97913	0.5
100.02444	0.3
101.00842	0.5
109.02869	0.4
110.97575	0.9
112.01100	0.3
112.07574	0.9
115.02421	0.3
115.03959	0.3
116.01243	0.3
116.07023	0.3
116.97219	2.5
116.98605	65.7
117.98960	0.3
119.01924	1.9
121.01675	0.8
127.00378	0.3
128.98598	0.9
129.14243	0.3
131.01831	0.7
132.05690	0.4
134.02963	1.0
134.04834	0.3
134.99640	27.2
137.02939	0.3
140.00182	0.9
140.07021	0.4
140.98587	1.8
143.00122	0.5
143.01851	0.8
145.01283	0.3
145.03430	0.4
146.99614	0.3
150.06688	0.3
152.96918	0.8
152.98639	0.5
153.00687	2.7
155.01863	0.6
157.03391	0.3
158.01256	0.8
158.09431	0.6
158.12851	0.5
158.15379	1.3
158.99632	1.3
159.03952	0.8
161.02959	0.9
170.98254	0.3
170.99649	0.9
173.02930	0.6
177.00645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57291	0.9
56.96558	41.4
57.07061	3.1
57.93565	1.6
59.93103	5.9
64.98667	0.8
66.59933	0.7
69.03458	1.0
70.06552	0.6
71.05010	0.9
71.06885	0.8
71.95253	1.5
73.95671	1.1
74.07803	0.6
75.94589	1.1
76.93359	1.6
77.94138	1.6
78.88658	0.7
78.96629	0.7
81.07079	0.7
82.44067	0.6
82.46199	0.7
93.95636	1.2
95.95169	1.3
98.97572	95.1
99.97911	4.5
100.95719	0.8
101.00870	2.0
102.09164	4.7
116.97231	3.7
116.98608	100.0
117.95969	1.5
117.97583	2.5
117.98965	6.2
118.03475	1.5
118.96750	17.2
119.01913	13.4
123.68410	0.7
131.04956	1.5
131.08551	1.3
131.11809	1.5
134.99641	96.4
135.99977	6.9
136.04526	1.0
136.95413	1.0
137.02963	4.5
140.00175	1.5
141.01822	0.9
142.03479	9.8
152.96881	1.3
153.00696	17.0
153.96767	3.3
154.01042	1.0
154.96439	5.5
158.01289	2.3
158.09628	1.1
158.15387	6.8
159.04413	0.8
159.09157	1.7
159.11693	1.4
159.15741	1.7
160.04578	7.4
160.05905	1.5
171.97868	0.7
172.97594	0.8
177.00650	0.8
178.05626	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	159.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01863	6.3
55.05506	1.7
56.05031	2.1
56.96561	37.9
57.03429	8.0
57.90572	1.5
58.96160	2.0
58.99861	2.7
61.02917	4.8
66.38631	1.5
67.23839	1.6
68.05016	1.8
69.03424	76.9
70.03760	2.7
70.06593	12.0
71.01357	4.4
71.04994	3.3
71.06901	1.6
72.08144	3.4
73.02910	5.5
74.06058	1.7
77.00894	2.7
81.03409	10.8
82.20798	1.9
85.02891	12.6
86.00253	1.6
86.06073	1.7
86.99321	1.8
87.04474	3.4
88.08744	1.9
89.00888	1.6
96.08099	2.2
97.01438	3.1
97.02884	97.1
98.03222	6.9
98.97573	100.0
99.97948	2.5
100.03963	2.1
101.00872	14.4
101.06035	1.7
102.02429	1.9
102.09180	1.9
103.02471	2.2
105.00353	2.0
106.02655	1.5
108.02412	2.4
109.02857	3.6
111.02937	3.0
113.00885	5.4
113.03527	1.8
113.07121	1.9
114.05518	3.4
115.02428	14.9
115.03908	3.9
116.98611	71.4
117.98946	2.0
119.01901	50.6
120.02032	2.1
120.03384	1.7
120.06952	1.7
121.01666	3.4
121.03236	1.8
125.00858	2.1
127.02396	3.1
127.03911	3.9
129.03946	3.9
130.03656	3.2
131.01888	15.2
132.02019	2.7
133.02632	1.8
133.03436	10.0
134.99644	38.9
135.03146	1.9
137.02965	10.2
139.02538	2.9
141.01819	3.0
142.03490	6.7
142.06105	6.1
143.01889	20.9
144.01950	2.3
145.03427	19.1
147.05025	2.4
150.03455	2.9
153.00665	3.7
155.01895	20.8
156.02075	3.8
157.03461	16.0
158.03606	2.8
158.15388	4.0
158.99619	3.5
159.02760	1.9
159.03954	24.1
159.05139	2.1
159.09229	1.6
159.54097	4.1
160.04504	6.8
160.09648	3.6
161.02948	18.9
162.03079	4.8
169.03429	2.1
171.04980	2.2
173.02940	20.2
174.03101	4.4
175.04503	3.1
177.00795	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	160.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.4
51.02346	0.4
55.05496	0.9
58.43278	0.4
59.93089	0.6
65.03917	1.2
65.96156	0.4
67.05455	0.4
68.01384	0.7
69.07050	0.4
69.35529	1.6
75.38724	0.4
77.03920	0.6
77.94167	0.6
79.05468	1.1
79.56740	0.4
80.05001	3.9
81.03405	4.1
81.07047	0.7
89.03920	0.5
91.05457	2.8
93.07024	0.6
95.04958	1.9
96.04480	1.2
98.23433	0.8
103.05451	1.2
104.04974	46.2
105.03376	23.8
105.05296	0.9
105.06340	0.6
105.07010	8.3
106.03701	0.5
107.03687	0.4
108.04462	4.2
109.02856	3.0
115.05386	0.9
117.06975	0.9
118.02910	0.8
118.04150	0.4
118.96783	2.1
119.01914	0.5
119.08563	8.0
122.02299	0.4
127.03899	0.9
131.04918	4.2
131.08543	0.8
132.04430	63.7
132.05539	2.5
133.04750	1.6
133.06453	0.8
133.10101	4.3
134.05986	0.6
136.03888	0.7
143.08562	0.6
144.05548	0.7
145.06479	0.5
145.10126	0.8
146.03531	0.4
147.03137	3.6
148.03906	1.3
150.05475	6.3
154.96429	1.1
159.59866	0.4
160.03922	100.0
160.05164	12.9
160.12035	1.1
161.04300	2.9
161.05913	3.2
161.09610	1.6
161.13214	4.7
174.40816	0.4
177.48706	0.4
178.04939	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	160.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39642	0.2
54.24070	0.2
57.03434	0.2
59.93084	0.3
78.04688	1.2
79.05479	0.6
89.03881	0.3
90.04679	1.5
91.05460	0.5
95.04969	0.3
96.04465	0.3
96.86662	0.2
101.10508	0.2
103.05444	2.2
104.05580	0.4
104.06233	6.6
105.03387	1.7
105.06438	0.2
105.07026	2.3
114.04662	3.8
114.05424	0.2
115.05437	1.3
116.06236	0.3
118.04160	1.3
118.96724	0.9
119.08557	0.7
131.04903	37.2
132.05693	26.3
132.06465	0.4
132.08900	0.4
133.06010	0.4
133.10097	0.6
142.04102	0.7
146.03590	0.7
154.96432	0.3
159.04369	0.3
160.05167	100.0
161.05811	5.0
161.09557	0.8
161.13258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22290	0.1
56.61893	0.1
56.96551	0.3
60.00633	0.1
60.95834	0.1
68.23154	0.1
69.25761	0.2
69.26175	0.4
75.46709	0.1
82.99821	1.8
83.67297	0.1
83.99916	0.2
98.23447	0.2
98.97591	0.7
100.02425	0.1
100.97166	0.4
101.00866	25.9
101.95046	0.3
102.00928	1.8
102.96866	0.5
103.00618	0.4
116.98610	0.5
118.03593	0.1
119.01903	100.0
119.98186	0.1
120.01982	5.9
120.97907	0.3
121.01591	0.7
121.02348	0.4
125.02592	0.2
127.40794	0.1
130.66617	0.1
136.68124	0.1
137.02937	28.6
138.03032	1.7
138.98778	0.1
142.03471	1.3
143.01941	0.2
143.03627	2.7
144.03207	0.7
160.04527	0.3
161.02939	3.6
161.04648	1.9
161.06969	0.2
162.04308	0.5
177.48650	0.1
179.02374	0.3
179.03976	4.9
179.05614	0.6
180.04143	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	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52499	0.1
56.05026	0.3
56.96548	0.3
57.03403	0.1
58.06585	0.2
58.99851	0.2
60.00607	0.2
60.05644	0.4
60.95853	0.2
62.93264	0.1
63.13112	0.1
69.03413	0.3
70.48251	0.2
72.08137	0.2
73.92457	0.1
82.99821	1.4
84.08137	0.2
85.02923	0.2
97.02885	0.4
98.06078	0.2
98.07184	1.2
98.97557	0.8
100.08711	0.4
100.97191	0.3
101.00868	23.7
101.95016	0.4
102.00942	1.4
102.05506	0.4
102.96858	0.5
103.00629	0.4
116.32153	0.1
116.98621	0.3
118.03516	0.2
119.01905	100.0
120.01983	5.4
120.02970	0.2
120.03178	0.1
120.97918	0.4
121.01580	0.8
121.02362	0.4
134.99629	0.3
137.02942	30.5
138.03033	1.8
138.98930	0.2
142.03493	1.0
143.01865	0.6
143.03627	2.3
143.09286	0.2
144.03246	0.6
144.07668	0.3
145.01579	0.2
156.97340	0.2
157.03494	0.2
160.04625	0.2
161.02943	4.1
161.04628	2.0
161.07079	0.4
161.10464	0.4
162.03111	0.2
162.04309	0.5
162.05498	0.4
164.61882	0.1
179.02370	0.3
179.03990	5.0
179.05627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01860	1.3
55.05498	0.9
55.87690	0.4
57.03386	0.4
59.76808	0.4
63.48868	0.4
65.03912	0.6
67.05503	0.4
69.03408	0.8
69.07053	0.4
77.03922	0.8
79.05488	8.7
81.07043	1.3
84.04514	0.4
89.03900	0.8
90.04713	2.4
91.04206	0.6
91.05470	6.1
92.39872	0.4
93.07015	1.1
95.04966	2.8
98.06096	0.4
103.05456	7.5
104.06203	0.8
105.03384	0.4
105.04498	1.2
105.07021	29.9
106.06530	2.1
106.07270	0.7
107.04946	1.2
107.08560	0.5
115.05448	5.7
118.04149	22.5
119.03679	15.7
119.04457	0.6
119.04986	0.5
119.08562	6.5
121.06499	1.1
128.06198	1.1
129.07025	0.9
130.04120	0.4
131.04913	9.2
131.08546	1.6
132.05710	0.8
133.06488	6.6
133.10115	5.9
134.06006	3.6
143.06030	1.5
143.08553	0.6
146.03612	10.4
146.07272	2.5
146.10883	0.5
147.03094	2.6
161.05960	100.0
161.09583	15.1
161.13225	4.2
162.05449	35.8
173.99170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	6-Methylcoumarin
Peak:m/z	Relative Intensity
53.03923	1.1
55.01619	1.0
55.01866	13.7
55.05512	1.1
59.11288	0.9
69.58555	1.8
69.58955	2.6
74.06073	1.4
77.03905	1.2
79.05485	11.4
90.04686	1.1
91.05467	17.4
95.04965	6.0
98.06013	1.2
101.95033	1.1
103.05462	9.2
105.02677	2.1
105.03380	39.2
105.04469	2.0
105.07014	71.1
106.07365	1.6
115.05441	86.8
116.05759	1.7
117.07001	20.5
118.04134	4.0
118.06509	1.2
119.01904	2.5
119.04912	1.4
119.08571	4.6
131.04909	1.1
133.06473	100.0
133.10150	3.1
134.06793	3.0
137.02954	1.5
143.04913	1.6
143.05988	1.3
143.08470	1.1
146.03560	1.7
146.07098	1.1
161.05949	63.1
161.07014	3.4
161.09563	4.7
161.13206	3.4
162.05437	3.2
162.06509	1.3
171.05508	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03933	0.8
55.01860	1.3
55.05498	0.9
55.87690	0.4
57.03386	0.4
59.76808	0.4
63.48868	0.4
65.03912	0.6
67.05503	0.4
69.03408	0.8
69.07053	0.4
77.03922	0.8
79.05488	8.7
81.07043	1.3
84.04514	0.4
89.03900	0.8
90.04713	2.4
91.04206	0.6
91.05470	6.1
92.39872	0.4
93.07015	1.1
95.04966	2.8
98.06096	0.4
103.05456	7.5
104.06203	0.8
105.03384	0.4
105.04498	1.2
105.07021	29.9
106.06530	2.1
106.07270	0.7
107.04946	1.2
107.08560	0.5
115.05448	5.7
118.04149	22.5
119.03679	15.7
119.04457	0.6
119.04986	0.5
119.08562	6.5
121.06499	1.1
128.06198	1.1
129.07025	0.9
130.04120	0.4
131.04913	9.2
131.08546	1.6
132.05710	0.8
133.06488	6.6
133.10115	5.9
134.06006	3.6
143.06030	1.5
143.08553	0.6
146.03612	10.4
146.07272	2.5
146.10883	0.5
147.03094	2.6
161.05960	100.0
161.09583	15.1
161.13225	4.2
162.05449	35.8
173.99170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02369	0.6
52.26215	0.4
53.03933	0.7
55.01871	2.2
55.05501	1.0
63.02368	0.4
65.03929	0.4
67.05489	0.5
69.03413	0.5
70.93298	0.5
77.03916	1.5
79.05481	8.1
81.03428	0.4
81.07067	0.9
86.37639	0.5
89.03893	0.5
90.04681	2.5
91.05475	7.9
93.07005	0.7
95.04958	4.1
97.02881	0.6
102.04659	0.6
103.05464	9.3
104.06252	0.6
105.03403	0.9
105.04566	0.8
105.07021	37.7
106.07362	1.0
107.04928	0.7
115.05445	11.9
117.07033	1.9
118.04153	22.3
118.06534	0.6
119.01885	0.5
119.05020	0.6
119.08570	7.1
121.06500	1.0
127.82509	0.4
128.06219	1.6
129.06995	1.1
131.04915	9.2
131.08553	1.9
132.05685	1.1
132.41386	0.4
133.02867	0.4
133.06479	12.3
133.07501	0.9
133.10106	5.8
137.02928	0.4
143.06046	1.3
143.08540	2.0
145.06529	0.7
146.03621	10.3
146.07294	3.4
147.04434	0.9
159.07971	0.5
161.05965	100.0
161.09598	18.7
161.13222	5.0
162.06474	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03950	1.1
55.01868	4.7
55.05506	0.9
63.97119	0.5
69.03413	0.8
69.07051	0.6
69.17599	1.9
69.18008	1.2
74.06056	1.2
77.03920	1.7
79.05488	20.0
81.07056	2.5
84.04490	0.7
89.03911	0.9
90.04691	2.3
91.05472	6.1
93.07038	1.2
94.25264	0.5
95.04962	7.1
97.02895	1.3
98.23412	1.3
99.04427	0.5
102.04701	0.9
103.05463	22.9
104.05730	0.6
105.04507	2.3
105.07022	100.0
106.07352	2.1
107.04993	1.0
107.08604	0.8
115.05447	23.9
117.07030	0.8
118.04157	13.6
119.04896	0.6
119.08567	14.6
121.57504	0.5
130.04126	0.7
131.04921	6.4
131.08565	1.0
132.05698	1.3
133.06480	38.7
133.10118	5.7
134.05907	0.5
134.06850	1.0
134.07956	0.5
143.06047	6.9
144.06546	0.7
146.03633	4.9
146.07278	1.0
147.04376	2.8
159.11581	0.6
161.05957	27.8
161.07121	3.7
161.09575	4.7
161.10709	0.9
161.13243	9.9
162.05455	1.4
162.06641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.68705	1.0
55.05494	1.5
56.24501	1.1
60.04488	1.4
61.27283	1.1
65.03934	1.4
67.05497	23.1
69.07053	2.6
79.05485	30.1
81.06562	1.3
81.07048	25.2
83.08604	1.4
86.98972	1.1
87.89958	1.1
90.25080	1.1
91.05466	36.2
92.86411	1.0
93.07032	10.8
95.04963	3.8
95.08607	12.1
97.02890	2.3
105.04501	1.5
105.07015	35.9
107.08589	4.1
112.08231	0.9
117.07002	2.9
119.08569	41.5
120.09261	1.3
126.77155	1.1
131.08569	2.2
133.10117	35.2
134.10460	2.2
146.90321	1.2
159.11618	3.4
161.05911	1.7
161.07094	6.4
161.09579	2.7
161.13240	100.0
162.03252	1.6
162.05496	2.0
162.09004	1.2
162.13580	2.4
173.50986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.01875	0.9
55.05505	6.2
65.03934	1.3
67.05152	1.1
67.05494	17.5
69.03426	3.6
69.07059	7.4
70.49234	0.9
77.03903	0.8
79.05484	19.5
81.07047	26.8
90.04654	0.6
91.05469	51.1
93.07030	16.6
95.04970	2.8
95.08588	10.6
97.02906	1.3
98.06085	0.8
103.04828	0.5
103.05412	2.8
105.03402	0.9
105.04493	1.8
105.07016	98.9
106.06666	0.6
106.07349	2.1
107.08584	6.2
115.05426	2.6
117.07014	6.9
118.04136	1.6
118.06522	0.8
119.03706	1.3
119.08566	100.0
120.08891	2.1
121.06521	1.7
128.06189	2.7
129.06902	0.5
131.04901	1.8
131.08543	6.0
132.09323	2.3
133.06480	4.1
133.10112	66.0
134.10443	1.2
143.08549	3.0
145.06454	2.0
145.10069	1.1
146.03618	1.8
146.07205	2.9
146.10890	1.6
159.11714	2.9
160.80658	0.5
161.05956	6.2
161.07130	2.4
161.09604	29.6
161.13235	89.2
161.23654	0.6
162.05495	4.2
162.13599	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03935	0.5
53.49554	0.3
55.01860	1.3
55.05506	7.7
67.05490	0.4
69.03413	0.4
69.07065	3.2
69.18393	2.3
77.03938	0.4
79.05483	4.6
81.07039	1.6
84.04504	0.4
91.05470	10.7
91.06049	0.5
93.07017	2.1
95.04961	1.7
102.04657	0.5
103.05460	4.8
104.06284	0.6
105.03422	0.5
105.07018	34.2
106.07366	0.4
107.08585	1.5
115.05446	5.7
115.98933	0.3
117.06997	3.7
118.04161	4.6
118.07830	0.4
119.01849	0.5
119.08566	100.0
120.08891	2.4
121.06476	0.4
121.10133	3.9
128.06190	0.4
129.06955	0.4
130.04155	1.0
131.04893	1.6
131.08551	3.9
133.06477	6.5
133.07480	0.6
133.10110	23.3
134.10472	0.7
143.04913	0.7
143.06026	1.1
143.08565	1.0
144.06654	0.4
145.10089	0.4
146.03603	2.8
146.07214	1.1
146.10918	1.1
147.04405	1.7
159.11652	1.4
161.05959	19.4
161.07063	1.1
161.09581	5.7
161.10811	0.7
161.13240	27.1
162.06662	1.3
162.13622	0.7
165.04881	0.4
180.98749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.01860	2.0
55.05496	1.1
56.05035	0.6
60.04499	0.8
65.87180	0.4
69.03401	0.5
69.07063	1.2
69.29504	0.4
71.42319	0.5
74.06065	0.9
77.03935	0.9
79.05489	7.8
79.94293	0.4
81.03415	0.5
81.07035	1.8
84.04485	0.7
88.03945	0.5
90.04688	1.8
91.04932	0.9
91.05470	9.9
93.07034	1.4
95.04942	2.8
95.84023	0.5
97.02877	0.8
98.06047	0.5
100.52648	0.4
102.96860	0.6
103.05454	9.5
104.06231	0.7
105.04533	1.0
105.07020	48.0
106.07333	1.1
107.04927	0.6
107.08587	0.7
113.57548	0.4
115.05458	8.0
117.07037	2.7
118.04150	5.1
118.06509	1.1
118.18794	0.5
119.03677	0.7
119.08568	100.0
120.08144	0.5
120.08907	2.1
120.97834	0.6
131.04919	3.2
131.08502	1.1
131.13940	0.4
133.06479	13.4
133.07487	0.8
133.10104	9.2
134.06001	0.7
143.06047	2.6
143.08499	0.7
146.03616	1.6
146.07271	0.5
147.04370	1.2
159.11630	0.5
161.05963	10.7
161.07124	3.1
161.09567	3.5
161.10774	0.6
161.13234	13.6
162.03494	0.7
162.05460	1.5
162.07660	0.6
162.09033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01566	0.8
51.02371	1.0
52.03157	1.2
53.03923	1.1
55.01853	1.0
56.05005	0.7
60.04494	0.7
65.03921	0.8
66.01070	2.0
69.03409	1.3
72.04490	0.7
74.06064	1.6
77.03918	1.1
78.04701	44.7
79.05013	0.9
81.03381	0.7
84.04478	1.3
85.02897	1.2
88.03960	0.7
93.03407	1.0
95.04935	2.6
97.02863	0.6
98.06007	1.4
103.05454	0.7
105.03374	6.5
105.04461	1.0
106.04160	59.6
106.06522	1.0
107.04484	1.4
108.02120	3.0
116.07111	0.8
117.05744	0.9
120.08020	0.6
130.06487	1.3
132.08080	1.7
133.02818	1.1
134.03615	75.2
134.08081	0.8
135.03940	1.1
144.06561	1.4
162.03101	100.0
162.05396	2.7
163.03610	3.3
163.12305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.7
51.02359	0.6
51.86692	0.5
52.03146	1.1
53.03919	0.7
55.01863	0.8
55.05514	0.5
60.31596	0.5
66.01059	2.4
72.04509	0.8
74.06050	1.1
78.04702	42.5
79.05008	0.9
80.02615	0.7
84.04475	1.1
95.04947	2.9
96.04444	0.7
97.02869	0.9
98.06031	0.9
98.95564	0.5
103.05417	0.7
105.03383	5.4
105.04453	0.6
106.04160	59.0
107.04485	1.3
108.02081	3.8
130.06509	1.0
132.08086	1.1
134.03613	72.7
134.08124	0.9
135.03964	2.2
144.06517	1.3
162.03099	100.0
163.03459	2.6
163.07483	1.3
163.12378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0548
Annotation	Indole-3-carboxylic acid
Peak:m/z	Relative Intensity
55.05497	0.3
65.03930	0.6
65.04237	0.2
69.03411	0.2
69.58799	0.7
77.03929	0.4
79.05479	0.7
89.03898	4.7
89.04456	0.3
91.05463	18.5
92.05013	0.3
92.05773	0.3
93.07047	0.6
95.04964	0.7
97.02904	0.3
103.05447	1.0
105.04535	0.3
105.07002	0.5
106.06551	0.6
106.07275	0.4
107.04961	0.6
107.08565	0.5
109.06490	0.3
116.04959	23.1
117.03372	2.2
117.05781	2.9
118.06519	100.0
119.06094	0.3
119.06856	2.2
119.08531	0.3
121.06465	1.3
130.07750	0.3
131.03682	0.3
131.04907	0.9
132.04463	0.2
133.02788	0.3
134.05986	7.4
134.08092	0.2
135.04388	3.9
135.11626	0.4
144.04417	19.6
145.02852	1.0
145.04765	0.6
145.10103	0.4
147.04388	0.6
162.05466	39.3
163.03867	3.1
163.05869	1.0
163.07436	0.3
163.11160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
50.01586	0.5
51.02382	0.9
52.75713	0.3
53.03941	3.2
55.01855	1.0
55.05500	1.4
57.03416	0.4
57.07066	0.5
61.02905	0.5
63.02386	0.4
63.15884	0.3
65.03938	0.7
67.05489	1.1
69.03414	2.3
69.07060	2.5
69.16085	0.3
70.72230	0.4
73.02927	0.3
73.33622	0.3
73.74612	0.3
76.32487	0.2
77.03920	5.1
77.04355	0.3
78.95309	0.3
79.05482	11.4
81.03406	1.1
81.07045	3.3
83.08597	0.8
85.02895	2.6
89.03899	6.5
91.05471	4.3
92.02615	3.7
92.05772	0.3
93.07028	7.6
95.04956	20.7
95.08595	1.7
96.05294	0.4
97.02875	0.4
103.05457	7.7
105.03390	5.6
105.04500	7.9
105.07009	5.0
106.06541	0.8
107.04945	5.8
107.08583	11.7
108.08089	0.5
109.02833	0.3
109.06507	1.2
115.05439	1.3
117.03365	5.1
117.05762	0.6
117.06988	2.6
118.06513	0.6
119.06860	1.5
119.08576	2.6
120.02074	1.0
121.06503	1.4
121.09265	0.5
121.10128	6.9
127.07539	0.5
130.06508	2.1
130.07742	1.1
131.04913	8.9
132.04408	0.4
132.05272	0.4
132.08090	1.8
133.02835	26.0
134.03168	0.8
135.04398	36.0
135.08020	2.6
135.11646	2.7
136.04727	0.9
136.07547	9.0
138.03076	1.0
145.02831	4.0
145.06467	1.0
145.10092	6.2
148.08784	0.4
163.03880	100.0
163.07498	4.4
163.11148	14.2
163.12302	1.2
163.14787	3.4
164.04254	3.1
164.07024	1.4
181.02840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.85823	0.4
53.00292	0.4
53.03944	1.6
55.01855	1.0
55.05503	2.3
57.07069	0.9
63.02370	1.4
65.03943	0.6
65.95117	0.4
66.70189	0.4
67.05498	1.5
69.03420	2.1
69.07058	5.1
69.91104	0.4
77.03928	1.9
79.05486	15.5
81.07050	5.1
83.08607	1.4
85.02897	1.8
89.03907	65.6
90.04248	1.2
91.05460	5.7
93.07036	10.0
95.04962	7.1
95.08597	4.2
95.45555	0.4
103.05454	8.8
103.17706	0.4
105.03378	2.8
105.04501	2.5
105.07016	4.6
106.06551	1.7
107.04938	14.7
107.08580	20.6
108.05238	0.5
109.06512	1.3
109.10159	0.4
115.05466	1.2
117.03365	56.0
117.05743	1.4
117.07017	1.8
118.03717	1.4
119.06052	0.5
119.08568	3.3
120.08115	0.8
121.06508	3.2
121.10135	15.6
123.08065	0.6
130.06514	3.2
130.07671	0.7
131.04915	10.0
132.04453	1.1
132.08084	4.2
132.48045	0.4
133.02834	1.8
133.07571	0.5
135.04401	100.0
135.07962	2.6
135.11687	6.7
136.04724	2.6
136.07555	4.7
145.02834	43.0
145.03839	1.9
145.06474	0.8
145.10078	3.3
146.03194	1.3
148.03827	0.5
149.04720	0.8
163.03882	85.5
163.07492	6.1
163.11157	9.4
163.12329	2.0
163.14790	7.6
164.04245	2.9
164.07047	2.0
183.31516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.20221	0.5
51.02378	0.7
53.03932	1.6
57.03423	0.8
63.02371	2.0
65.03937	0.6
66.04697	0.7
67.05485	0.8
69.03417	1.1
69.07076	0.7
70.56842	1.3
77.03915	3.3
78.95262	1.0
79.05477	13.4
81.03442	0.6
81.07033	1.6
85.02877	2.7
89.03903	73.8
90.04218	1.5
91.05469	3.4
93.05777	4.2
93.07013	2.4
94.06535	1.1
95.04957	7.9
95.71348	0.5
99.04449	0.7
103.05467	7.0
104.04958	1.6
105.03378	6.8
105.04473	3.5
105.07054	0.6
106.02891	0.5
106.06557	0.6
107.04239	1.1
107.04936	16.1
107.08595	2.1
108.02087	2.1
108.08115	2.4
109.06529	2.8
115.05493	0.6
117.03360	58.6
117.07028	1.2
118.03723	1.5
119.04932	0.6
120.04463	3.4
120.97900	0.7
121.05246	11.4
121.06489	0.9
121.10116	1.4
122.06017	1.3
130.06509	1.5
130.25328	0.6
131.03252	0.9
131.04901	7.3
132.04436	1.3
132.08075	1.7
133.02852	1.9
135.04393	100.0
135.07985	2.6
136.04752	1.9
136.07553	25.6
145.02829	39.3
145.03870	1.9
145.10081	0.7
146.03227	0.8
146.05983	1.7
147.04391	1.1
148.03905	2.5
149.04701	9.2
150.05460	0.9
158.96262	0.7
162.05490	1.8
163.03879	82.9
163.05827	3.4
163.07367	4.2
163.11127	1.3
163.12280	1.3
163.14766	1.0
164.04182	2.0
164.07048	12.2
181.02779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
51.02375	0.9
52.61860	0.6
53.03933	1.4
55.01873	0.7
55.05501	0.9
55.48378	0.6
57.07103	0.6
58.72118	0.6
63.02374	2.0
64.83598	0.6
65.03939	0.8
67.05489	1.4
68.93311	0.6
69.03436	0.8
69.07066	1.0
69.99203	1.3
77.03925	2.4
77.62384	0.7
79.05485	15.1
79.05941	0.9
81.06625	0.6
81.07034	4.0
84.08172	0.9
85.02893	1.5
89.03905	84.9
90.04239	1.5
91.05456	4.6
93.07032	5.0
95.04945	7.6
95.08581	1.7
103.05476	6.3
104.04986	8.0
105.03409	3.2
105.04502	2.5
105.07015	3.0
106.06554	1.1
106.07300	0.7
107.04939	17.4
107.05667	0.9
107.08577	9.1
107.09264	1.0
110.96220	0.6
113.66064	0.6
115.05476	1.1
117.03364	62.9
117.05701	1.4
117.07001	1.1
118.03694	1.6
119.08578	1.4
119.95087	0.6
121.06504	0.9
121.10132	3.8
122.09653	1.1
130.06535	3.5
131.04910	6.2
132.04433	61.4
132.08049	3.9
135.04396	100.0
135.07999	1.6
135.11743	1.5
136.04730	2.3
136.07573	1.1
145.02831	41.8
145.03876	2.2
145.10097	2.3
146.03197	1.2
163.03880	84.4
163.07564	2.8
163.11142	6.9
163.12329	2.3
163.14835	3.3
163.19815	0.7
164.04248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00312	0.4
53.03933	1.1
55.05504	0.5
62.01578	0.4
63.02375	1.4
63.50684	0.4
65.03908	0.4
67.05496	0.8
69.03409	0.7
69.07040	0.5
70.51435	0.8
70.51774	0.5
71.48279	0.5
77.03908	2.1
79.05476	13.6
81.07030	2.1
89.03902	75.0
90.04237	1.0
91.05470	3.0
93.07024	3.0
95.04944	4.6
95.08587	1.5
103.05460	5.1
105.03390	1.0
105.04515	1.9
105.07012	1.5
106.06568	0.4
107.04935	15.9
107.08575	6.3
108.05264	0.4
115.05435	0.4
117.03358	61.5
117.07013	1.1
118.03672	1.1
119.08529	0.4
121.06416	0.5
121.10123	2.3
127.11652	0.4
130.06519	1.0
131.04913	5.9
132.04414	2.0
132.08060	0.8
133.02834	0.6
135.04391	100.0
135.08038	1.6
135.11687	0.7
136.04733	3.0
145.02829	43.4
145.03893	2.3
145.10019	0.9
146.03201	0.9
163.03874	77.8
163.07483	3.8
163.11124	2.7
163.12292	0.8
163.14784	2.6
163.72142	0.4
164.04202	1.8
164.06976	0.6
178.25137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.05447	0.5
52.59330	0.5
53.03949	1.1
55.05512	0.5
57.03431	12.4
57.07065	10.9
59.04999	0.8
63.02365	2.6
65.03928	0.7
67.05186	0.5
67.05488	2.7
69.03428	2.1
69.10142	1.6
69.10557	1.9
71.04987	1.5
74.53238	0.4
77.03922	1.7
79.05032	1.0
79.05482	13.2
81.03405	0.8
81.07046	2.3
85.02886	1.6
85.06527	10.2
89.03904	83.1
90.04231	1.4
90.97919	0.5
91.05473	2.2
93.07032	0.9
95.04952	7.8
98.22622	0.9
99.08081	1.1
101.06013	1.7
103.05453	8.4
103.07563	15.8
105.03401	0.6
105.04515	2.1
105.07046	0.9
107.04941	14.7
107.08578	2.6
109.06502	1.3
117.03361	66.0
118.03700	1.7
118.40723	0.6
121.10130	1.2
127.07533	1.2
130.06512	1.1
131.04897	8.5
132.04268	0.6
132.08067	1.0
133.02876	0.8
133.77335	0.5
135.04396	100.0
136.03868	0.5
136.04753	3.2
136.07529	1.2
143.36166	0.5
145.02831	40.9
145.03841	1.8
145.10051	0.9
146.02319	6.3
146.03290	0.9
149.57608	0.5
158.14470	0.5
163.03882	80.2
163.07442	2.4
163.11165	1.8
164.03371	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	163.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11936	0.6
53.03933	1.1
57.03431	1.2
57.07076	2.1
59.26337	0.6
61.02885	0.7
61.17471	0.6
63.02066	0.7
63.02372	2.9
67.05492	1.5
69.03422	2.4
69.07069	1.7
70.97057	1.1
77.03917	2.4
79.05484	14.4
81.07047	2.4
82.19344	0.6
85.02883	4.1
85.06524	1.6
89.03905	79.4
90.04256	2.0
91.05475	2.6
93.07025	4.0
95.04961	7.6
95.08585	1.6
97.02859	1.0
103.05452	3.4
103.07567	1.9
104.05003	1.2
105.03390	0.9
105.04494	2.5
105.07034	2.4
107.04943	15.2
107.08577	7.6
117.03362	57.8
117.07022	1.8
118.03719	1.8
119.08568	1.1
121.10136	2.8
130.06551	1.3
130.07733	0.9
131.04887	4.0
131.66010	0.7
132.04425	8.1
132.08084	1.2
133.02832	1.5
135.04393	100.0
135.08032	2.2
135.11707	3.4
136.04732	2.5
136.07491	0.9
145.02835	43.0
145.03905	2.5
145.10120	2.6
149.04727	1.3
163.03880	93.4
163.07536	2.7
163.11153	6.3
163.12302	1.3
163.14799	2.2
164.04199	2.5
164.07065	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02369	0.5
53.03932	2.2
55.01866	1.4
55.05497	1.4
57.07067	0.7
61.27006	0.4
63.02361	2.2
65.03931	0.8
67.05491	1.3
67.36212	0.4
69.03423	2.6
69.07072	3.1
70.41778	0.7
77.03911	2.6
77.65739	0.4
79.05482	18.5
80.04980	0.5
81.03403	0.6
81.07037	5.9
83.08607	0.6
85.02887	1.9
89.03904	77.0
90.04234	1.5
91.05464	8.4
92.02599	0.7
93.07030	10.6
95.04958	8.1
95.08582	3.1
103.05453	7.5
105.03371	1.5
105.04508	3.3
105.07014	5.7
106.06519	1.1
107.04939	15.2
107.08578	18.1
108.08107	0.7
109.06488	1.1
115.05441	1.6
117.03362	57.3
117.05707	1.0
117.07003	3.6
117.70345	0.4
118.03693	1.3
119.04923	0.5
119.06044	0.6
119.08575	2.8
120.08075	0.5
121.06499	2.0
121.10129	8.2
122.06044	0.4
123.08002	0.4
126.05519	0.5
130.06535	2.6
130.07762	1.1
131.04912	7.5
132.04407	0.9
132.08069	2.6
133.02850	1.5
134.96198	0.5
135.04395	100.0
135.07982	4.8
135.11682	3.9
136.04790	2.5
136.07550	16.1
136.08601	0.5
140.07065	0.6
145.02831	39.7
145.03879	1.8
145.10085	5.7
146.03131	0.6
148.08775	0.9
158.06050	0.6
162.77989	0.4
163.03880	77.5
163.07509	5.8
163.11142	16.9
163.12270	1.3
163.14793	6.0
164.04268	2.1
164.07001	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	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02373	0.7
53.03937	1.5
55.01875	0.6
55.05511	0.6
55.77137	0.4
57.03427	3.6
57.07067	3.3
62.18834	0.5
63.02367	1.4
63.18530	0.4
67.05495	0.9
67.78050	0.4
69.03423	2.8
69.07060	1.9
69.60397	1.7
71.04985	0.7
77.03919	1.9
79.05475	10.9
81.07043	1.3
84.08113	0.6
85.02899	2.5
85.06536	3.0
89.03906	49.3
90.04250	1.4
91.05467	4.0
93.07021	3.4
95.04951	9.4
95.08589	0.6
98.22709	0.5
101.05973	0.5
101.95525	0.5
102.17123	0.4
103.05455	99.1
103.07558	4.6
104.05765	2.3
105.03372	1.8
105.04497	2.6
105.07002	2.6
106.06536	0.8
107.04938	10.7
107.05663	0.6
107.08574	6.2
115.05447	1.2
117.03364	38.7
117.05700	1.0
117.07012	2.3
118.03699	1.1
119.05966	0.4
119.08582	1.2
120.08126	0.4
121.05203	0.6
121.06488	3.4
121.10124	3.1
123.19321	0.4
127.96114	0.4
130.06497	2.5
130.07706	0.9
131.04910	100.0
132.02037	0.7
132.04404	2.7
132.05191	2.2
132.08060	2.3
133.02840	2.0
135.04395	66.5
135.07977	3.1
135.11658	1.9
136.03828	0.5
136.04730	1.3
136.07542	1.7
140.95193	0.6
145.02834	27.6
145.03882	1.3
145.06470	0.8
145.10091	2.0
148.03938	0.6
149.04680	0.6
158.96304	0.9
161.69974	0.4
163.03880	59.8
163.07504	25.5
163.11157	4.6
163.12318	1.5
163.14780	1.6
164.03218	0.8
164.04401	0.9
164.06958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0751
Annotation	Beta-dolabrin
Peak:m/z	Relative Intensity
53.03934	3.4
55.01864	11.3
55.05501	1.1
59.86320	0.7
65.03923	6.5
67.05487	4.2
68.99775	0.8
69.03415	4.5
69.07040	2.2
69.15399	0.7
77.03925	2.7
77.23920	0.6
79.05478	76.0
80.05806	1.0
81.07045	5.4
83.01327	12.7
83.08598	1.3
84.08136	1.0
85.02895	1.3
89.03900	26.2
90.04228	1.4
91.05466	77.2
92.05749	1.4
92.06255	2.0
93.03405	3.4
93.07030	18.6
95.04961	10.8
95.08576	1.4
103.04748	1.1
103.05447	22.8
105.03377	2.2
105.04504	3.4
105.07011	31.7
106.06551	1.8
107.04939	19.5
107.08575	88.2
108.08855	1.8
109.06501	18.3
115.05437	31.9
117.03364	23.3
117.05692	1.9
117.07000	32.0
117.33820	0.8
118.07355	0.8
119.06058	9.8
119.08551	2.6
120.05704	3.4
120.08106	0.9
121.06448	2.5
121.10131	4.5
130.06503	4.5
131.04910	21.1
132.08043	4.5
133.02844	2.1
133.06477	1.8
135.04399	41.6
135.08028	100.0
135.11598	1.8
136.04750	1.0
136.07547	22.7
136.08292	1.4
145.02826	16.4
145.03897	1.1
145.06480	1.9
145.10146	2.1
163.03882	38.3
163.07509	62.7
163.11136	2.3
163.12286	2.5
163.14775	3.7
164.04260	1.4
164.07030	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	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02382	0.5
53.03931	0.5
63.02357	0.3
68.24496	0.2
69.03439	0.3
69.07074	0.3
69.14221	1.7
77.03933	1.1
79.05482	2.5
80.04974	0.4
81.07033	1.3
89.03905	6.6
91.05473	1.2
92.78729	0.2
93.07047	1.8
95.04971	2.4
95.08620	0.7
102.04622	0.5
102.18307	0.3
103.05457	75.9
104.05790	1.8
105.03395	0.7
105.04484	0.6
105.07012	0.6
106.06504	0.6
107.04949	3.1
107.08593	2.4
117.03364	5.7
117.05733	0.6
117.07039	0.7
119.08577	0.5
120.05727	0.5
120.46606	0.3
121.10155	1.3
130.06534	1.8
131.04912	100.0
132.04402	0.5
132.05228	2.2
132.08084	1.7
133.02867	0.7
135.04398	11.1
135.08035	1.0
135.11650	0.7
136.04771	0.4
136.07535	0.3
145.02844	3.7
145.03912	0.4
145.10104	0.9
148.05008	0.3
163.03893	10.4
163.07521	39.0
163.11150	2.2
163.12328	0.9
163.14781	0.5
164.07892	1.0
181.02937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Beta-dolabrin
Peak:m/z	Relative Intensity
51.02363	1.6
53.03928	2.9
55.01617	0.9
55.01869	13.0
55.05501	1.4
63.02375	0.9
65.03939	5.3
67.05493	3.8
68.99791	1.2
69.03418	6.3
69.07055	1.1
69.16097	5.0
77.03902	3.4
79.05483	65.8
80.04980	1.2
80.05830	1.7
80.68210	0.8
81.03423	1.0
81.07046	8.0
84.08112	1.3
85.02876	1.7
89.03905	32.8
91.05467	63.7
92.05775	1.3
93.03393	3.9
93.07030	19.4
95.04959	11.2
95.08566	1.3
103.05457	33.5
104.05759	1.1
105.03394	4.9
105.04488	3.0
105.07014	28.9
106.06538	2.3
107.04242	1.6
107.04936	21.2
107.05667	1.3
107.08580	86.2
108.08888	2.4
109.06503	15.1
115.05441	23.7
117.03364	29.9
117.05709	2.3
117.07001	24.7
119.06026	7.7
119.08556	3.5
120.05675	2.9
121.05218	1.1
121.06458	3.0
121.10107	3.4
130.06525	5.7
131.04910	39.6
132.05305	1.0
132.08072	7.6
133.02817	2.8
133.06491	1.6
135.04401	59.6
135.08031	100.0
135.11633	1.9
136.04691	1.4
136.07507	3.3
136.08398	2.2
145.02826	20.0
145.06468	3.9
145.10114	3.9
148.03891	2.8
149.04720	4.7
151.45236	0.9
163.03886	53.5
163.06024	3.3
163.07509	71.5
163.11133	8.9
163.12321	3.6
163.14807	2.6
164.04292	1.4
164.06935	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	163.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.88873	3.4
57.03146	3.7
57.03431	71.2
57.06810	6.2
57.07067	70.8
57.38082	3.4
57.51620	3.3
57.64137	3.0
59.04988	6.9
67.05504	20.0
69.03423	13.7
69.07054	4.7
69.94172	10.1
70.75811	3.5
71.04973	7.9
72.81590	3.9
79.05476	7.7
84.23193	3.5
85.02895	3.4
85.06532	64.3
89.03922	21.3
91.05470	5.0
95.04942	21.2
101.06029	7.0
103.05454	52.3
103.07574	100.0
105.07015	4.7
107.04957	9.1
107.08607	17.8
117.03385	23.9
117.06978	5.2
121.06477	12.4
121.10110	3.8
123.57880	3.8
125.29781	3.4
127.07507	4.2
131.04910	66.4
133.02745	5.5
135.04391	31.6
135.08018	6.8
135.11659	4.5
143.03799	3.8
145.02823	10.4
145.10051	5.4
163.03894	36.2
163.07541	15.1
163.11142	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	163.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
57.03431	20.6
57.07070	22.5
59.04988	2.3
63.02357	3.3
65.03938	1.2
65.57682	0.5
67.05508	6.1
68.01382	0.9
68.99804	0.7
69.03426	3.9
70.88662	0.8
71.04995	2.8
77.03927	2.3
78.95295	1.3
79.05491	12.0
80.05003	1.0
81.07054	3.3
84.94888	0.5
85.02915	1.6
85.06535	20.8
89.03906	65.9
90.03439	1.9
90.04250	1.6
91.05466	3.4
93.05761	0.9
93.07033	0.8
95.04964	11.4
99.08076	2.2
101.06010	2.4
103.05453	10.8
103.07569	32.7
104.07884	0.7
105.03386	3.1
105.04480	3.0
105.07025	2.4
106.06543	1.2
107.04936	15.3
107.08582	1.9
108.04459	1.1
109.06525	3.4
117.03368	50.7
117.07012	1.4
117.09100	1.5
118.03697	1.6
118.49194	0.6
119.08542	1.0
120.04423	0.6
121.00731	1.2
121.05210	1.6
121.06496	1.1
121.10143	0.7
127.07540	2.2
130.06531	2.3
130.07756	1.8
131.04912	14.3
131.40779	0.7
132.04431	2.0
132.08052	2.7
133.02827	4.1
135.04399	100.0
135.08072	1.7
135.11693	1.8
136.03854	1.2
136.04750	2.3
136.07549	3.8
139.01825	0.8
145.02834	39.7
145.03880	1.5
145.10075	1.6
146.02332	14.8
146.03355	2.0
149.04703	1.6
158.96303	0.6
163.03885	89.8
163.07520	6.6
163.08652	1.4
163.11147	5.3
163.12329	1.5
164.03383	57.5
164.06963	2.9
181.02837	1.6
182.02475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	1.2
50.05853	0.8
53.03932	2.7
53.21948	0.9
55.01862	3.4
55.05510	7.7
57.03428	2.1
57.07061	1.3
62.19875	0.7
63.02364	1.4
65.03939	1.1
67.05509	4.1
67.55890	0.9
67.87866	0.8
69.03425	8.0
69.07052	3.5
75.96825	0.8
77.03911	3.0
78.95278	1.3
79.05490	22.3
80.04991	1.4
81.03414	1.7
81.07062	5.8
83.04978	1.9
83.08583	0.9
84.08155	1.1
85.02879	3.5
89.03910	51.3
89.98048	0.8
90.04240	1.7
91.05477	26.3
92.02608	0.9
92.05804	6.6
93.07036	23.8
94.02945	0.8
95.04964	15.9
95.08587	3.7
100.18053	0.9
103.05458	30.2
104.05780	1.1
105.03389	7.9
105.04510	4.2
105.06348	1.6
105.07024	27.3
106.06540	4.6
107.04947	22.2
107.08585	31.4
109.06493	3.2
111.76854	0.8
115.05447	7.3
116.04964	1.5
117.03370	38.7
117.05303	5.5
117.05862	1.1
117.07014	17.2
118.03645	1.5
118.06602	5.5
119.06105	2.1
119.06861	32.0
119.08572	18.5
120.08073	2.0
120.09354	1.8
121.06497	79.6
121.10123	13.3
122.06860	0.9
123.08054	1.1
128.06142	2.0
129.07001	3.8
130.06523	9.3
130.07768	17.3
131.04927	29.9
132.02061	1.1
132.04408	3.1
132.08061	10.6
133.02829	7.6
133.06502	1.7
133.10117	3.5
134.05997	1.0
135.04407	85.7
135.06345	3.7
135.08026	15.0
135.11678	21.0
136.03847	1.0
136.04738	2.7
136.07559	3.2
137.09578	1.8
139.01817	1.1
140.95235	1.1
143.08527	1.8
145.02843	30.0
145.03893	1.5
145.04726	5.6
145.06494	2.4
145.10110	30.0
146.10515	0.9
147.09132	1.1
148.08836	3.8
149.04730	1.1
161.09587	3.7
163.03891	93.1
163.05856	14.3
163.07518	14.2
163.08763	3.5
163.11157	100.0
163.12247	6.4
163.14761	4.0
164.04245	3.0
164.05801	1.3
164.07024	6.8
164.11530	2.8
181.02875	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02368	1.0
53.03935	2.7
54.92561	0.6
55.01862	4.6
55.05504	6.5
57.03423	1.4
57.07060	0.8
58.07824	0.7
63.02354	1.8
65.03923	1.9
66.71130	0.6
67.05491	5.9
69.03422	3.8
69.06758	0.6
69.07059	7.1
70.79176	0.6
71.04974	1.6
71.43964	0.9
77.03925	2.5
79.05482	31.7
80.04982	0.8
80.05804	0.8
81.03408	1.1
81.07047	28.5
83.04963	1.1
83.08607	2.4
84.08134	1.2
85.02905	3.1
89.03905	43.1
90.04232	1.6
91.04940	1.3
91.05472	15.8
92.05745	0.8
93.03404	1.5
93.07030	41.4
94.07327	0.8
95.04958	11.8
95.08581	8.0
103.05454	25.3
104.04996	0.8
104.05821	0.8
105.03395	3.9
105.04498	2.6
105.07015	18.3
106.06545	2.3
107.04939	14.4
107.08580	35.4
108.08894	0.8
109.06499	7.8
115.05454	2.1
117.03362	31.2
117.05726	2.2
117.06996	9.2
119.06049	0.7
119.08562	21.8
119.09409	1.2
120.08067	0.9
120.08903	0.8
121.05153	0.8
121.06485	4.5
121.10127	40.9
122.10471	1.0
123.08025	1.2
127.07533	4.8
129.06981	0.9
130.06535	6.1
130.07744	6.0
131.03949	1.5
131.04909	24.0
132.04431	4.6
132.08081	6.8
133.02814	3.1
133.06448	3.2
133.10062	0.9
135.04398	57.9
135.08022	8.0
135.11681	9.8
136.04753	1.4
136.07559	2.9
143.08548	2.0
145.02834	21.2
145.03886	1.2
145.10101	40.5
146.10472	0.9
147.08023	1.8
148.08827	8.9
161.09608	0.9
162.32724	0.6
163.03882	49.6
163.06000	1.3
163.07507	12.6
163.11151	100.0
163.12202	4.3
163.14790	11.5
164.04251	1.3
164.06973	3.5
164.11577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.82701	0.8
52.43291	0.8
53.03934	3.4
55.01869	6.4
55.05509	7.5
57.03430	1.1
57.07048	0.9
63.02359	2.9
65.03943	1.7
67.05490	2.8
69.03423	8.5
69.07054	3.1
69.46071	2.5
71.04973	1.4
77.03909	2.9
79.05482	33.8
81.07037	5.6
83.04970	1.9
83.08614	1.0
85.02885	2.5
89.03907	75.4
89.87916	0.8
90.04234	1.8
91.05467	37.4
92.05793	3.1
93.03433	1.0
93.07035	22.3
95.04957	12.5
95.08598	2.9
98.23443	1.7
103.05458	26.7
105.03394	4.2
105.04485	4.8
105.07018	35.2
106.06535	2.7
106.07336	0.9
107.04947	24.2
107.08585	46.1
108.08903	1.4
109.06507	6.3
115.05438	10.9
116.06225	1.6
117.03367	57.4
117.05180	2.1
117.05817	1.3
117.07005	19.7
118.03703	1.7
118.06534	10.0
119.06062	3.1
119.06869	10.0
119.08563	22.6
120.05733	0.9
120.09333	2.7
121.06492	84.8
121.10128	12.4
122.06831	1.8
123.08029	0.9
126.90405	1.0
127.62913	0.8
128.06197	3.0
128.87337	0.8
129.07031	5.3
130.06512	4.6
130.07765	20.5
130.58147	1.0
131.04909	23.3
132.08083	5.4
133.02849	3.8
133.06485	1.6
133.10110	4.5
135.04402	100.0
135.08035	34.0
135.11673	23.3
136.04715	2.5
137.09631	2.1
143.08534	3.8
145.02844	36.1
145.03854	1.7
145.04788	2.5
145.06494	2.1
145.07605	1.0
145.10103	33.3
146.06071	1.3
147.08034	1.5
147.09106	1.3
148.08803	5.4
161.09622	4.4
163.03885	74.9
163.05896	3.9
163.07529	18.6
163.11154	98.2
163.12201	4.7
164.04276	1.7
164.07030	2.3
164.11491	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	163.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01846	1.5
55.05506	12.0
57.07073	2.0
67.05495	37.0
68.05844	1.5
69.07054	21.3
69.50801	6.9
72.71918	1.3
77.03917	2.5
79.05477	89.6
80.04988	4.3
81.07042	68.0
83.08601	12.7
84.08106	5.8
91.05463	21.9
93.07025	99.4
95.04961	13.6
95.08591	68.2
95.09213	2.9
97.10147	2.6
105.03378	17.5
105.04485	5.0
105.06979	7.4
106.06532	17.4
107.08572	91.5
108.08869	2.7
109.06544	2.1
109.10158	3.8
117.05749	11.4
117.06985	1.9
119.06059	1.9
119.08536	6.0
120.08073	6.6
121.06480	1.8
121.10120	100.0
122.10421	2.6
123.47692	1.5
130.05534	1.5
130.06494	29.5
132.07098	3.1
132.08063	39.0
133.02794	4.7
135.04378	5.4
135.11671	14.8
136.07570	2.8
145.10100	5.5
163.03865	17.5
163.05080	2.3
163.07462	2.6
163.08655	4.9
163.11118	21.1
163.12303	25.2
163.14784	85.2
164.07004	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	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03931	2.3
55.05501	12.8
57.07064	2.5
61.02919	6.6
65.03922	2.0
67.05495	37.6
69.03414	1.1
69.07059	16.0
69.83921	1.7
69.84301	1.8
73.02900	2.3
77.03890	2.2
79.05481	78.2
80.04987	3.1
80.05804	1.6
81.03377	1.1
81.07044	55.6
82.07373	1.5
83.08607	10.4
84.08125	3.9
85.02883	4.5
91.03920	1.6
91.05466	17.6
93.07030	89.9
94.07367	1.0
95.04951	10.1
95.08591	60.7
97.02889	1.5
97.10157	2.2
98.23379	1.8
105.03390	6.7
105.04499	4.2
105.07005	6.6
106.06560	7.5
107.04932	2.0
107.08576	80.6
108.08907	2.0
109.06460	1.6
109.10143	4.6
117.05732	5.4
117.06980	1.7
118.06616	1.2
119.08566	4.2
120.08081	3.5
121.06511	1.5
121.10123	100.0
122.10434	2.0
125.16502	0.9
130.06500	19.0
132.04446	1.2
132.08060	19.6
133.02840	3.2
135.04378	3.7
135.05362	1.2
135.11676	10.0
136.07555	1.5
145.10077	3.8
161.13184	0.8
163.03865	10.9
163.08646	2.6
163.11125	17.4
163.12318	14.2
163.14795	75.0
164.07037	3.1
164.15112	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	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03919	1.7
55.05503	15.1
57.07072	2.4
57.14572	1.1
65.03923	2.3
67.05496	37.7
67.31884	1.0
69.07059	16.5
70.80645	1.2
77.03897	2.6
79.05483	82.8
80.05003	1.8
80.05825	1.1
81.07047	63.3
83.08612	9.8
84.08123	3.1
91.05466	20.6
93.07031	88.2
94.07327	1.4
95.04963	8.2
95.08594	65.4
97.10150	1.9
97.49708	1.0
105.03371	6.8
105.04490	2.7
105.07011	5.3
106.06560	9.9
107.04950	1.2
107.08579	75.1
108.08905	1.8
109.06464	2.2
109.10149	3.2
112.34934	1.0
117.05745	6.8
119.08573	4.0
119.72163	1.1
120.08090	4.0
120.23102	1.1
121.10128	100.0
121.84906	1.1
122.10443	2.0
130.06509	16.5
132.08073	24.3
133.02835	2.9
134.99530	1.1
135.04443	2.3
135.09151	1.6
135.11681	12.4
145.10086	3.1
148.45944	1.1
163.03870	12.2
163.04991	1.7
163.08653	3.6
163.11130	13.2
163.12328	12.5
163.14798	73.7
164.07027	2.5
164.12697	1.0
164.15228	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	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.15699	0.7
53.03935	1.6
53.52203	0.6
55.01865	2.9
55.05505	6.9
57.03441	0.7
57.07074	1.4
65.03942	1.3
67.05504	5.7
69.03432	1.5
69.07063	21.2
71.04996	0.7
77.03930	2.5
79.05488	25.5
81.07055	33.2
83.04951	0.6
83.08620	3.8
85.02908	1.7
89.03905	10.5
91.05473	15.6
93.03463	1.0
93.07038	48.4
94.07375	1.0
95.04394	1.0
95.04967	8.3
95.08118	0.4
95.08599	18.7
103.05462	40.3
104.05762	1.0
105.03387	3.2
105.04512	2.7
105.07027	14.4
106.06570	1.5
107.04958	9.8
107.08585	100.0
108.05218	0.6
108.08224	0.6
108.08926	2.2
109.06512	7.7
109.10167	0.8
115.05430	1.8
117.03389	8.4
117.05740	1.6
117.07008	5.2
119.06060	1.9
119.08576	10.6
120.05708	0.8
120.08100	1.2
121.05171	0.6
121.06497	3.0
121.10136	41.7
122.10428	0.7
123.07998	1.1
127.07556	3.2
129.07011	0.7
130.06555	4.5
130.07748	3.5
131.04918	40.3
132.04411	1.0
132.05273	1.1
132.08116	4.5
133.02837	2.8
133.06467	1.2
135.04404	17.3
135.08054	5.7
135.11684	15.4
136.07544	1.4
143.08537	1.6
145.02872	4.5
145.03853	1.0
145.10115	23.9
145.24159	0.6
146.10518	0.6
148.05101	0.9
148.08832	1.1
163.03896	21.2
163.04985	0.9
163.07527	13.5
163.11157	35.4
163.12302	2.8
163.14804	34.1
164.07050	1.6
164.11566	1.0
164.15196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0705
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.02370	0.5
53.03951	1.9
53.87490	0.5
56.84353	0.5
58.02943	1.1
58.36946	0.5
61.11042	0.5
63.92960	0.7
65.03965	0.8
66.04723	2.4
67.05504	2.3
68.05015	0.6
69.16038	3.6
74.38059	0.6
77.03919	2.2
79.05476	5.8
80.05004	1.5
81.07052	1.7
89.03896	1.0
90.04227	2.9
91.05463	7.4
92.04993	0.8
93.05775	15.0
93.07026	5.2
94.06585	2.8
94.07108	0.6
95.04957	8.8
98.22728	1.5
103.05473	0.8
104.04974	7.1
104.05717	1.0
105.03380	22.4
105.04433	3.4
106.06512	0.7
107.04942	1.3
108.02093	6.5
108.05199	0.8
108.08096	7.9
109.06502	11.0
111.06850	0.6
118.03681	2.8
119.01914	2.4
119.04923	1.7
119.08561	1.1
120.04455	8.8
121.05233	48.7
122.06050	3.6
123.04424	2.7
132.04416	4.3
132.05293	1.3
133.05246	1.2
135.04437	1.0
135.06783	1.2
136.04773	6.3
136.07555	100.0
137.02881	1.0
137.05984	3.6
137.07872	1.8
142.03510	1.2
146.03145	2.6
147.04390	2.6
147.08009	0.7
149.04701	39.9
150.05482	3.9
164.04242	6.2
164.07033	49.4
165.05487	1.0
165.07365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0706
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.44957	0.3
51.54892	0.3
53.03949	1.1
54.98547	0.2
55.05506	0.3
56.97746	0.3
65.03922	0.7
67.01868	0.2
67.05506	2.2
69.07066	0.4
70.85065	0.3
77.03911	1.4
78.95289	0.6
79.05497	2.6
80.04996	0.5
80.05791	0.4
81.03397	0.5
81.07048	2.5
82.07420	0.3
89.03928	0.5
90.04247	1.2
91.05470	7.1
92.05800	0.5
93.05786	1.4
93.07038	5.7
94.06566	0.7
94.07371	0.4
95.04960	5.0
95.08593	2.5
101.00876	1.8
104.05001	1.0
104.05763	0.6
105.03380	0.5
105.04509	2.1
105.06997	0.6
106.06551	0.4
107.08575	0.8
108.04494	0.6
108.05251	0.6
108.08125	3.0
108.08849	0.6
109.06557	0.4
109.10145	1.2
115.31761	0.3
118.03696	1.6
119.01910	9.8
119.08566	0.8
120.88649	0.2
121.05239	0.3
121.10179	0.5
122.05993	1.2
126.05488	2.7
132.04434	7.0
132.05211	0.4
133.02841	1.0
133.06438	0.4
133.08365	0.4
136.04791	2.5
136.07561	100.0
137.02945	3.1
137.05991	0.5
137.07913	2.0
137.09560	0.5
140.07045	3.7
142.03484	6.1
146.03185	1.0
146.05977	0.3
147.11630	0.3
149.04701	1.1
158.96246	0.5
160.03412	0.3
160.04515	1.7
163.14832	0.3
164.04416	2.8
164.07039	17.0
164.10556	0.6
164.11679	0.4
164.14149	0.3
165.07423	0.4
165.09056	0.3
165.12662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27620	0.4
56.96564	0.5
58.87951	0.4
71.50848	0.4
76.30046	0.4
80.94944	0.6
82.99831	2.9
89.48032	0.4
95.04982	0.9
100.02481	1.1
101.00862	33.9
102.00937	1.2
109.88042	0.4
115.02386	0.5
119.01900	100.0
119.08583	0.4
120.01978	3.7
120.08086	0.7
121.02346	0.6
121.97553	0.5
123.04438	0.5
124.02412	6.8
124.93865	0.4
137.02934	24.4
138.03058	0.8
142.03479	68.7
143.03659	1.9
146.43408	0.4
160.04527	17.5
161.04744	0.6
165.05188	0.8
165.07397	0.6
172.55000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99008	0.3
69.95284	0.5
69.95620	0.7
82.99829	4.1
100.02437	0.9
101.00871	41.1
102.00951	0.4
118.03521	0.4
119.01907	100.0
120.01987	2.7
121.02333	0.7
124.02435	6.4
125.02510	0.4
136.81940	0.3
137.02945	18.2
138.03059	0.6
142.03487	60.3
143.03590	1.8
159.85809	0.4
160.04539	11.8
161.04707	0.7
162.63980	0.3
165.05025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
55.01865	1.2
55.05500	6.6
57.03412	0.8
65.03925	2.4
66.04241	0.8
67.05494	54.0
68.05843	1.1
69.03397	2.1
69.07059	3.5
77.03878	0.7
79.05481	6.7
80.05435	0.7
81.03378	1.3
81.07045	21.6
82.99843	1.9
83.04969	2.0
91.05471	10.2
93.07029	9.7
95.04957	13.4
95.08595	14.5
100.02433	0.9
101.00864	17.8
102.00903	0.7
103.05471	0.9
105.04478	1.1
105.06989	3.7
107.04922	0.8
107.08578	6.1
109.06500	7.0
109.10137	61.0
110.10500	1.1
110.14735	0.6
117.07003	1.1
119.01900	82.1
119.04910	2.0
119.08551	10.6
120.01994	2.9
120.08073	2.2
121.10151	1.8
122.07264	0.9
123.08024	1.6
123.09946	3.2
123.11711	1.0
124.02393	3.5
125.94039	0.7
133.02821	2.5
133.04823	1.3
133.06470	0.9
137.02940	27.3
137.05974	2.5
137.09593	100.0
138.03021	1.2
138.09969	2.4
142.03482	50.0
143.03563	1.1
147.04388	3.3
147.08040	2.0
147.11617	3.5
150.06667	1.2
160.04520	14.6
165.05127	2.0
165.06912	1.4
165.09062	9.9
165.10181	0.6
165.12755	4.9
171.02426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	4-(4-Methyl-1,3-pentadienyl)-2(5H)-furanone
Peak:m/z	Relative Intensity
53.03949	1.6
55.01869	4.5
55.05505	2.9
57.03429	1.3
57.07067	1.5
59.04989	0.8
65.03933	2.2
67.05499	10.0
69.03421	3.0
69.07071	3.8
69.14909	3.9
71.04984	0.9
75.21732	0.6
77.03922	2.3
79.05482	23.0
81.03415	1.8
81.07046	14.4
82.99842	1.4
83.04972	1.5
83.08633	1.2
91.05479	11.0
93.03427	0.7
93.07036	4.4
94.04171	2.4
94.94722	0.6
95.04956	21.3
95.08595	13.0
96.04495	0.7
97.06505	0.7
98.23443	1.3
100.02426	0.8
101.00868	18.3
103.05464	9.7
105.03387	1.1
105.04506	1.9
105.07020	100.0
106.07349	2.5
107.04942	2.4
107.08583	15.0
109.02849	0.9
109.06508	16.7
109.10139	3.7
110.07294	0.8
111.04456	0.9
115.05455	1.2
117.07011	1.0
119.01908	80.0
119.04906	2.2
119.08565	15.0
120.01992	3.1
120.08083	1.5
121.06470	0.7
121.10137	5.5
122.03661	5.2
123.04389	0.8
123.08057	18.0
123.11685	9.3
124.02460	3.1
124.05188	2.7
129.06982	0.8
132.05705	0.9
132.97073	0.6
133.02846	3.2
133.06476	69.9
134.06819	1.9
135.04420	0.7
136.08771	1.2
137.02963	25.0
137.05965	72.7
137.09563	4.1
137.13260	1.5
138.06306	1.2
142.03487	48.8
143.03618	2.2
147.04379	2.3
147.05510	0.7
147.08051	7.2
147.11687	5.0
150.04950	0.7
150.06729	1.8
151.07501	0.7
160.04544	14.3
160.85387	0.7
161.04608	0.7
165.05249	3.3
165.06566	0.8
165.09081	18.8
165.10188	0.8
165.12733	35.2
166.05037	0.6
166.13075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03946	1.1
55.01870	1.5
55.05505	7.0
57.03427	0.8
59.04984	0.7
59.24571	0.3
65.03942	1.9
65.35680	0.3
67.05496	59.5
68.05834	0.8
69.03419	2.8
69.07060	3.3
71.04964	0.3
77.03913	0.5
79.05481	6.7
81.03405	1.2
81.07047	21.6
83.04974	1.3
91.05473	8.2
93.07035	8.5
94.07840	0.8
95.04955	16.0
95.08594	16.1
96.05251	0.4
96.08958	0.4
101.00887	2.5
103.05477	1.2
105.07025	6.0
107.04948	0.6
107.08578	6.3
109.02837	0.4
109.06505	6.7
109.10141	60.0
110.10483	1.5
111.04413	0.5
117.07008	1.6
119.01919	6.0
119.08564	9.3
120.08084	0.4
121.10120	3.0
121.97637	0.3
122.05531	0.7
122.07317	0.6
123.04372	0.7
123.08056	2.3
123.11680	1.2
124.02431	0.6
127.07482	0.3
132.04468	0.4
133.02797	0.9
133.04776	1.4
133.06461	2.4
137.02930	1.5
137.06059	2.8
137.09596	100.0
138.09930	2.4
142.03485	3.5
147.08017	1.0
147.11635	0.9
150.05121	1.6
160.04565	0.9
165.05389	0.5
165.07394	1.8
165.09093	9.2
165.10396	0.7
165.12717	7.1
165.14035	0.6
169.11090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03949	0.8
55.01865	4.0
55.05507	0.8
59.16185	0.4
62.31900	0.4
65.03931	2.3
65.89936	0.3
66.04728	0.5
67.05509	2.6
68.10275	0.5
69.36510	1.0
69.36896	0.8
77.03901	2.6
79.05486	19.4
80.94959	0.9
81.03420	0.7
81.07052	2.6
82.99847	0.9
91.05473	21.8
92.05811	0.7
93.03391	1.5
93.07025	1.5
94.04188	2.0
95.04960	7.4
95.08607	1.1
98.73466	0.4
100.02500	0.6
101.00873	9.4
102.01055	0.5
103.05459	12.0
105.03423	2.7
105.04536	2.4
105.07019	100.0
106.07353	2.7
107.04941	1.9
107.08593	0.9
109.02871	1.0
109.06500	5.4
109.10155	1.7
111.04459	1.4
115.05479	0.8
119.01910	35.7
119.04928	30.1
119.08559	3.5
120.02000	1.2
120.05274	1.3
120.08081	1.0
122.03633	6.6
122.07275	1.7
123.04420	5.8
123.08042	1.5
123.20460	0.4
124.02473	1.0
124.05210	4.0
131.04831	0.5
133.02863	2.8
133.06477	71.3
134.06804	1.8
135.04381	0.7
137.02983	9.9
137.05962	79.9
137.09550	4.4
138.03021	0.9
138.05377	0.5
138.06296	1.7
142.03487	20.6
143.03590	0.8
147.02612	1.6
147.04396	51.0
148.04732	1.4
150.06746	1.9
151.07536	0.9
160.04543	5.7
164.12086	0.4
165.03757	7.4
165.05334	1.1
165.09096	24.6
165.12706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02374	0.4
53.03949	0.8
55.01865	4.0
55.05507	0.8
59.16185	0.4
62.31900	0.4
65.03931	2.3
65.89936	0.3
66.04728	0.5
67.05509	2.6
68.10275	0.5
69.36510	1.0
69.36896	0.8
77.03901	2.6
79.05486	19.4
80.94959	0.9
81.03420	0.7
81.07052	2.6
82.99847	0.9
91.05473	21.8
92.05811	0.7
93.03391	1.5
93.07025	1.5
94.04188	2.0
95.04960	7.4
95.08607	1.1
98.73466	0.4
100.02500	0.6
101.00873	9.4
102.01055	0.5
103.05459	12.0
105.03423	2.7
105.04536	2.4
105.07019	100.0
106.07353	2.7
107.04941	1.9
107.08593	0.9
109.02871	1.0
109.06500	5.4
109.10155	1.7
111.04459	1.4
115.05479	0.8
119.01910	35.7
119.04928	30.1
119.08559	3.5
120.02000	1.2
120.05274	1.3
120.08081	1.0
122.03633	6.6
122.07275	1.7
123.04420	5.8
123.08042	1.5
123.20460	0.4
124.02473	1.0
124.05210	4.0
131.04831	0.5
133.02863	2.8
133.06477	71.3
134.06804	1.8
135.04381	0.7
137.02983	9.9
137.05962	79.9
137.09550	4.4
138.03021	0.9
138.05377	0.5
138.06296	1.7
142.03487	20.6
143.03590	0.8
147.02612	1.6
147.04396	51.0
148.04732	1.4
150.06746	1.9
151.07536	0.9
160.04543	5.7
164.12086	0.4
165.03757	7.4
165.05334	1.1
165.09096	24.6
165.12706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
50.43822	0.5
51.02364	0.6
53.03930	0.7
55.01861	4.4
55.05503	1.2
58.77731	0.5
65.03925	1.8
66.04704	0.5
67.05490	1.9
70.69538	0.7
70.69867	0.5
77.03919	2.1
78.23919	0.4
79.05482	18.2
81.07046	3.2
91.05466	9.6
93.03373	1.0
93.07018	1.6
94.04169	1.8
95.04950	5.5
95.08574	1.2
97.21833	0.4
97.45454	0.5
97.69697	0.5
101.00864	3.8
103.05450	9.5
105.04498	1.7
105.07014	100.0
106.07345	2.1
107.04955	1.0
107.08543	1.4
109.02869	1.2
109.06499	6.2
109.10139	1.7
110.03689	0.5
111.04455	0.8
115.05458	1.4
117.07017	1.0
119.01911	11.3
119.04925	7.2
119.07729	0.9
119.08560	12.8
119.60360	0.5
120.01978	0.7
120.08916	0.5
121.10086	0.5
122.03618	5.2
122.07236	0.7
123.04418	13.9
123.08064	1.4
124.02416	0.4
124.05219	3.6
133.06468	80.3
134.06819	2.2
135.04462	0.7
137.03070	2.4
137.05954	86.6
137.09558	1.7
138.06291	1.6
142.03485	7.5
144.76443	0.5
147.03284	0.9
147.04396	11.6
147.08022	3.6
150.06721	1.6
151.07515	1.0
160.04529	2.1
165.05373	1.3
165.09084	22.5
166.05003	0.6
166.09509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03928	1.0
55.01857	1.6
55.05491	3.9
57.03419	2.7
57.07054	2.5
65.03924	1.0
66.29765	0.5
67.05499	13.6
69.03422	3.5
69.07063	5.3
71.04964	0.9
71.08617	0.9
75.61899	0.6
77.03893	0.7
79.05485	7.5
81.03390	1.7
81.07048	20.7
83.04965	2.2
83.08609	2.6
91.05476	9.1
93.07035	11.5
94.04176	1.1
95.04952	8.2
95.08012	1.2
95.08594	14.6
97.06516	0.7
101.00874	5.9
105.03386	1.1
105.07026	10.7
106.06554	1.0
106.07826	0.6
107.04893	1.3
107.08580	11.8
109.06509	20.5
109.10140	14.5
117.07002	1.9
119.01909	22.8
119.07737	1.1
119.08565	19.4
120.02008	0.9
120.08050	1.2
121.06493	1.9
121.10135	22.5
122.07279	7.2
122.10545	0.7
123.08058	12.6
123.11701	6.3
124.02393	1.1
132.04395	1.1
133.04825	2.8
133.06465	1.2
135.08022	3.4
136.07552	1.5
137.02954	5.7
137.05968	2.5
137.08060	9.0
137.09596	100.0
137.13184	2.1
138.09900	2.4
142.03488	15.4
143.03638	0.8
147.08009	0.9
147.11649	7.6
150.10390	4.8
159.26501	0.5
160.04578	3.1
165.05426	1.1
165.07448	1.7
165.09084	4.4
165.12737	45.8
166.13126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03938	1.9
55.01871	3.3
55.05508	6.8
57.03444	3.7
57.03677	0.9
57.07071	4.3
59.04987	3.3
59.82624	0.7
65.03944	3.6
67.05497	31.2
69.03419	7.1
69.07061	11.9
69.62688	2.6
71.04973	2.1
77.03909	1.0
78.26815	0.6
79.05489	22.1
79.81065	0.6
81.03409	3.1
81.07049	34.9
82.99837	1.1
83.04978	4.5
83.08598	2.5
85.06534	0.9
86.21896	0.7
91.05473	22.1
92.05772	0.7
93.07041	12.5
94.04177	1.4
95.04958	46.7
95.08595	30.9
96.08917	0.7
97.06524	1.8
101.00868	19.3
103.05449	7.1
105.04546	1.1
105.07019	58.5
106.07326	1.5
107.04938	5.9
107.08578	37.8
108.05737	1.3
108.08874	0.9
108.29128	0.6
109.06506	29.2
109.10131	6.7
110.07304	1.0
111.04438	0.7
115.05442	1.1
117.07021	4.6
119.01908	70.9
119.04907	2.6
119.06059	1.9
119.08566	38.0
120.02060	2.2
120.08110	1.9
120.08910	1.6
121.06483	2.3
121.10132	14.2
122.03642	1.7
122.07311	1.0
123.08056	38.2
123.11694	24.7
124.02415	2.3
124.05190	1.2
124.08377	0.8
129.06995	1.8
132.05724	3.6
133.02832	2.8
133.06474	29.3
133.07503	0.9
135.08064	1.1
135.11708	1.1
136.08844	1.0
137.01889	1.4
137.02948	20.9
137.05959	29.4
137.09612	6.9
137.13220	5.6
138.06364	1.1
141.09041	1.0
142.03481	39.9
143.03659	1.7
147.04385	2.6
147.08031	16.7
147.09155	1.4
147.11671	11.6
148.12068	0.7
150.06816	0.8
160.04561	11.7
165.03998	0.6
165.05399	2.0
165.09077	13.8
165.12737	100.0
166.04930	0.9
166.08507	1.2
166.13089	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	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03941	1.3
55.01868	0.7
55.05500	3.6
57.03432	0.9
57.07063	1.4
59.04992	0.6
59.42934	0.5
65.03909	0.9
67.05495	15.8
69.03419	8.3
69.07059	4.0
69.36238	0.8
69.36641	2.3
71.04975	0.6
71.08625	0.6
79.05481	7.7
81.03407	6.8
81.07045	20.5
81.38961	0.4
82.99834	1.5
83.04971	2.2
83.08623	0.7
85.06516	1.3
91.05468	8.7
93.07033	7.2
95.04952	7.5
95.08594	17.8
97.06491	1.2
100.02485	0.9
101.00858	16.7
101.17374	0.5
103.05436	1.1
105.03394	0.9
105.04559	0.5
105.07013	10.9
107.04964	1.2
107.08575	6.1
109.06498	6.4
109.10140	10.6
110.07262	0.5
113.17607	0.5
117.07024	1.4
119.01900	100.0
119.08559	10.7
120.01994	3.7
120.08082	2.4
121.06454	0.5
121.10124	7.2
122.07238	1.7
123.04516	0.6
123.05480	0.7
123.08047	6.9
123.11684	6.3
124.02458	3.0
133.02805	3.1
133.04784	1.5
133.07512	0.6
135.07991	0.5
136.07487	0.6
137.02937	38.0
137.05899	2.7
137.07959	1.2
137.09598	9.6
137.13222	1.4
138.03032	1.5
142.03479	57.5
142.96672	0.5
143.03592	2.6
147.04407	0.9
147.07973	1.2
147.11661	10.8
160.04530	18.3
161.04683	0.8
163.36983	0.4
165.01801	0.5
165.05174	3.5
165.06935	0.7
165.07576	0.6
165.09070	10.8
165.12723	39.4
165.16431	1.1
166.04984	0.9
166.08649	0.7
166.13089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	Phenylalanine
Peak:m/z	Relative Intensity
51.02362	0.1
60.66972	0.1
61.03804	0.1
65.92602	0.3
71.03128	0.2
77.03890	0.3
79.05479	1.7
80.94939	0.4
91.05441	1.0
93.07040	2.5
95.04943	0.4
103.05453	12.0
104.05792	0.3
107.04946	2.4
119.01878	0.2
120.02011	0.6
120.08086	100.0
121.01657	0.2
121.06477	0.2
121.08435	2.4
121.97563	0.2
131.04901	1.9
143.03621	0.3
149.05981	0.5
160.96013	0.2
166.08507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	Phenylalanine
Peak:m/z	Relative Intensity
51.02374	0.1
53.97720	0.1
55.87378	0.1
59.25248	0.1
66.46195	0.1
69.07029	0.1
69.19821	0.8
72.03753	0.1
77.03903	0.1
79.05483	1.2
80.05025	0.1
81.07037	0.1
83.72913	0.1
91.04489	0.1
91.05473	1.0
93.07034	2.7
94.06590	0.2
95.04946	0.4
101.00886	0.2
102.00951	0.5
102.02281	0.2
102.12106	0.1
103.00624	0.2
103.05452	11.5
104.05769	0.3
105.04530	0.2
106.06544	0.4
107.04942	2.4
119.01887	0.8
119.07343	0.2
120.01993	2.5
120.08086	100.0
121.01627	0.7
121.06493	0.2
121.07627	0.2
121.08424	2.3
123.04415	0.2
131.04904	2.5
137.02975	0.3
138.03069	0.9
138.05432	0.3
139.02669	0.3
142.03497	0.2
143.03580	2.0
144.03218	0.3
149.05948	0.5
161.04739	0.5
162.04337	0.2
164.48682	0.1
166.04982	0.3
166.08568	1.6
167.07025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
52.75518	0.2
53.03944	0.2
55.01865	0.9
55.05499	0.4
64.03128	0.2
65.03931	2.6
67.05499	0.4
69.03439	0.2
69.07063	0.3
73.02910	7.3
78.04702	0.6
79.05481	1.2
81.03413	0.3
81.07051	0.5
83.04964	0.3
91.05479	1.8
93.03376	0.4
93.07037	1.8
95.04958	2.6
95.08582	0.2
97.06505	0.3
97.73013	0.2
103.00630	0.2
103.05471	0.5
105.04491	0.2
105.06999	0.2
106.04163	0.4
107.04966	1.1
107.06102	0.2
107.08587	1.0
108.04437	0.2
109.06508	0.4
111.04424	3.2
119.04921	3.1
121.02853	100.0
121.03858	3.8
121.06469	4.0
121.10125	0.7
122.03159	1.9
123.04414	1.6
123.08052	0.2
124.05180	0.6
130.53943	0.2
135.04425	0.2
139.02757	0.3
139.03857	0.7
139.07542	0.2
144.03232	0.5
149.02332	0.8
149.05963	18.6
150.06300	0.5
151.03923	0.3
152.04648	0.3
162.04453	0.2
167.03412	0.8
167.07016	8.0
167.08162	0.4
167.10687	0.4
168.07376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
51.02385	0.7
53.03944	1.9
54.26090	0.4
55.01856	0.6
55.05499	0.7
57.03424	0.4
65.03922	1.2
66.04707	1.1
67.05489	1.6
68.99776	0.4
69.03403	0.6
69.07044	1.1
71.04979	0.4
77.03914	2.1
78.04247	0.8
78.04703	16.4
79.05484	29.8
80.05810	0.7
81.03407	1.3
81.07043	4.6
83.04976	0.7
84.96002	0.3
85.02892	0.4
85.06534	0.6
91.05478	3.5
93.03351	0.3
93.07027	3.6
94.04174	3.3
94.06544	0.5
95.04962	9.9
95.08569	0.4
96.05730	1.2
97.02859	0.4
97.06530	0.8
98.98438	0.5
99.04410	0.4
99.29264	0.3
103.00610	1.0
103.05461	0.4
105.03378	1.3
105.04504	4.0
105.07004	0.7
106.04166	8.1
107.04943	29.4
107.08605	2.8
108.04486	0.7
108.05268	0.5
109.02833	0.6
109.06506	3.0
111.04411	1.3
111.08059	1.2
117.97597	0.3
119.06041	0.4
121.01645	4.9
121.02435	0.4
121.02991	0.6
121.06500	1.9
121.07594	1.4
121.08371	0.4
121.10143	3.2
122.03636	5.7
123.04418	26.3
124.05207	14.3
125.05990	3.7
125.06848	0.6
125.09633	0.4
126.02239	0.4
127.05472	0.5
134.03604	2.5
135.04393	1.8
137.02303	0.3
137.05978	1.6
138.03064	0.5
139.02672	1.5
139.03696	0.6
139.07597	0.6
139.11203	0.4
140.07059	0.5
140.24698	0.3
144.03221	2.8
145.06477	2.6
149.02299	1.0
149.05948	1.4
149.07088	1.4
149.09589	1.4
150.05530	0.8
151.03885	6.1
152.04669	10.8
153.05402	0.8
155.06009	3.7
162.04280	0.9
167.07014	100.0
168.04111	0.6
168.08263	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	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02356	0.7
53.03932	0.6
54.42192	0.3
55.05493	0.4
55.96304	0.3
57.61042	0.3
65.03922	1.2
66.04690	0.5
67.05482	1.2
67.38169	0.3
67.92490	0.7
69.75645	1.2
77.03909	1.1
78.04698	19.8
79.05038	0.4
79.05474	6.1
80.68726	0.3
81.03388	0.8
81.07036	0.6
82.94823	0.6
83.04963	0.8
85.02913	0.3
85.93504	0.3
91.05460	1.3
93.03384	0.4
93.07024	0.9
94.04153	1.1
95.04953	4.6
96.05722	1.0
98.22768	0.4
103.40416	0.3
105.03380	1.4
105.04500	1.1
105.07053	0.4
106.04162	7.6
107.04945	4.8
107.06057	0.6
107.08591	0.6
109.02866	0.8
109.06517	0.6
111.04420	1.4
111.08041	0.6
119.06048	0.5
120.02024	0.5
121.01639	2.1
121.02863	1.3
121.03911	0.3
121.06488	2.3
121.07611	1.1
121.10090	0.4
122.03638	3.8
122.97603	0.3
123.04411	30.6
123.97408	0.5
124.05209	8.6
126.93799	0.4
131.06056	0.4
134.03619	2.1
135.04401	3.3
137.02245	0.4
137.05951	1.4
139.02780	0.5
139.03873	2.5
140.07028	0.3
144.03210	1.3
149.02290	2.2
149.05951	0.9
149.07063	1.0
149.09573	0.4
150.03098	0.6
151.03879	6.2
152.04660	7.3
161.96230	0.4
162.95822	0.5
167.07007	100.0
167.96303	0.3
168.04221	0.4
168.07423	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	167.0703
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.32987	0.2
53.03936	1.5
53.04145	0.2
55.01859	1.4
55.05509	1.2
57.03414	0.4
63.17809	0.2
65.03924	0.5
66.92724	0.2
67.05502	1.5
68.99783	0.5
69.03433	1.0
69.07042	0.7
69.75695	0.6
70.06583	4.4
77.03910	2.2
78.04694	0.5
79.05482	19.4
80.05811	0.4
81.03426	0.3
81.07048	4.8
82.94820	0.4
83.04971	1.2
83.08580	0.4
83.47510	0.2
91.05468	15.8
92.05773	0.2
93.07032	21.9
94.07337	0.5
95.04961	7.4
95.08574	0.7
97.06519	1.6
97.34750	0.2
103.05445	1.5
105.04501	2.7
105.07013	0.9
106.04142	0.4
107.01316	0.4
107.04240	0.4
107.04944	6.7
107.06022	0.3
107.08573	3.7
109.06491	1.3
109.10149	0.2
111.04449	0.4
111.08051	0.4
119.06055	0.3
121.01672	1.3
121.02869	0.5
121.06491	15.3
121.07449	0.5
121.10111	2.0
122.06796	0.4
123.04407	2.0
123.08082	1.0
124.05173	0.3
125.05972	0.5
125.09628	0.7
131.08493	0.3
132.04364	0.2
134.03603	0.7
135.04340	0.5
139.02692	0.4
139.07495	0.5
144.03241	0.7
149.02322	0.6
149.04828	0.4
149.05946	3.8
149.07040	0.4
149.09592	0.9
153.05452	0.3
161.96136	0.3
162.04327	0.3
162.95842	0.3
167.07013	100.0
168.07372	3.0
168.13754	0.3
168.17381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Ethylparaben
Peak:m/z	Relative Intensity
50.22585	0.3
53.03944	1.4
55.01868	2.4
55.05505	1.2
57.03440	0.5
57.07051	0.4
65.03928	3.2
67.05498	1.4
67.92529	0.3
68.99788	0.7
69.03423	1.1
69.07054	1.0
69.87077	0.3
71.04972	0.4
73.02908	7.7
77.03900	1.7
78.04698	2.9
79.05483	12.8
81.03426	0.8
81.07044	4.2
82.94842	0.6
83.04977	1.7
91.05468	11.6
92.05814	0.4
93.03396	0.8
93.07034	17.8
94.07372	0.6
95.04957	9.9
95.08608	0.9
97.02893	0.4
97.06507	1.6
98.98463	0.5
103.00649	0.7
103.05450	1.8
105.04488	2.2
105.07010	1.7
106.04166	0.9
107.04930	3.3
107.06078	0.9
107.08583	3.4
108.04445	0.5
108.43174	0.3
109.02879	2.0
109.06521	2.2
109.10126	0.4
109.38619	0.3
111.04433	4.5
111.08099	0.6
116.06223	0.4
117.99013	0.3
119.04930	2.9
119.06085	0.5
119.08578	0.3
121.02853	100.0
121.03886	3.9
121.06487	14.7
121.07581	1.6
121.10101	2.6
122.03098	2.2
122.06059	0.5
122.06853	0.5
123.04420	5.0
123.08049	1.3
124.05168	1.1
125.05959	0.8
125.07058	0.3
125.09605	0.7
126.05521	0.6
126.06606	0.5
131.06039	0.4
131.08511	0.6
135.04404	0.5
135.42932	0.3
137.06009	0.4
138.03065	0.3
138.91045	0.3
139.02690	1.1
139.03870	3.1
139.07553	0.8
139.11160	0.4
140.07004	0.6
144.03203	2.3
149.02335	4.6
149.05969	21.5
149.07080	1.5
149.09593	1.7
150.05383	0.5
150.06439	0.4
151.03926	0.6
152.04639	1.0
154.84372	0.3
162.04289	0.9
162.95949	0.4
167.03416	3.8
167.07013	86.2
167.10524	2.0
168.07431	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02357	0.5
53.00290	0.4
55.01852	0.7
55.05504	0.5
55.65540	0.4
56.01349	0.4
56.52210	0.4
58.76219	0.3
60.15850	0.3
65.03915	0.7
66.04694	0.9
66.92731	0.6
67.05482	1.6
67.92499	1.0
69.07059	0.5
70.06573	1.7
71.04954	0.3
77.03892	0.8
78.04701	19.2
79.05041	0.6
79.05478	6.1
80.05029	0.5
81.03405	1.2
81.07030	1.4
81.95062	0.9
82.94805	1.9
83.04971	0.6
91.05450	1.7
93.03370	0.5
93.07021	1.5
94.04180	1.3
94.06516	0.5
95.04961	5.0
95.08583	0.7
96.05730	1.1
97.06520	1.1
98.98444	0.5
100.86551	0.3
103.00598	1.8
105.03345	1.0
105.04510	1.0
105.30691	0.4
106.04158	6.1
107.04943	5.9
107.06030	1.8
107.08581	2.2
108.04446	0.6
108.06835	0.4
109.02863	1.5
109.06511	1.2
111.04421	0.4
111.05573	0.7
111.08046	0.6
119.06040	0.9
120.02026	0.8
121.01650	7.9
121.02858	1.0
121.06506	1.2
121.07603	3.1
121.08399	1.0
121.10130	1.1
122.03632	2.9
122.05965	0.9
122.97681	0.4
123.04412	32.1
123.08027	0.6
123.97443	1.3
124.05209	8.9
125.05939	0.7
125.07092	0.8
125.93993	0.4
126.05489	0.7
126.93726	0.5
131.06044	0.5
134.03598	2.7
135.04385	1.9
137.02325	0.4
137.05923	1.3
137.06966	0.6
138.03107	1.0
139.02689	3.2
139.05429	0.6
139.07570	0.6
140.07047	0.9
143.95027	0.7
144.03206	5.0
149.02318	2.0
149.06010	0.6
149.07082	2.8
149.09575	0.9
150.05466	1.0
151.03885	5.8
152.04675	5.0
161.96048	0.8
162.04259	1.3
162.95799	0.8
167.07005	100.0
167.08073	4.3
168.04160	0.6
168.07558	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02367	0.6
53.03926	1.0
55.01865	0.7
55.05497	1.2
65.03941	0.9
66.04705	1.5
67.05498	1.7
67.37180	0.3
69.03416	0.5
69.07047	1.6
69.62022	1.4
69.77678	0.3
71.04967	0.6
77.03907	1.1
78.04247	0.6
78.04706	14.5
79.05482	14.7
80.04998	0.4
81.03410	0.8
81.07046	3.7
83.04958	1.1
83.08638	0.5
84.96031	1.3
85.02891	0.7
91.05468	2.4
93.07024	2.1
94.04188	2.5
95.04958	5.7
95.08588	1.3
96.05700	1.0
97.06499	1.2
98.23331	0.4
98.98399	0.4
103.00614	1.6
103.05463	0.4
104.66512	0.3
105.03365	1.3
105.04497	2.4
105.07023	0.7
106.04160	6.4
106.06517	0.5
106.64523	0.3
107.04942	13.6
107.06059	0.6
107.06870	1.2
107.08572	3.1
108.04469	0.6
109.02868	0.9
109.06486	1.6
109.10149	1.1
111.04420	0.5
111.08055	1.3
119.06059	0.4
120.02060	0.5
121.01649	9.5
121.02490	0.5
121.06503	1.1
121.07625	2.2
121.08352	0.5
121.10114	2.8
122.03621	4.7
122.05982	0.5
123.04417	28.3
123.11684	1.0
124.05213	10.2
125.06024	1.9
125.09586	0.5
126.05550	0.5
131.08589	0.4
134.03622	1.7
135.04401	1.2
137.02359	0.4
137.05948	1.6
137.06952	0.6
138.03094	0.6
139.02649	3.4
139.07520	0.5
140.06999	0.9
144.03206	5.8
145.06482	0.9
149.02332	1.2
149.05988	0.7
149.07100	1.5
149.09576	0.6
149.13231	0.6
150.05470	0.6
151.03891	5.4
152.04666	6.9
155.06024	1.4
162.04184	1.7
166.86717	0.3
167.07013	100.0
167.14247	0.9
167.15498	0.8
168.04163	0.5
168.07350	1.3
168.08040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02370	0.5
53.03943	1.3
54.87191	0.5
55.01862	1.2
55.05508	2.3
57.03436	0.9
57.07073	2.3
59.04991	3.8
59.69239	0.5
65.03949	1.2
67.05499	5.7
69.03422	1.6
69.07063	3.0
73.02927	2.6
75.04501	0.7
77.03919	1.7
78.04703	8.7
79.05482	24.1
81.03433	0.7
81.07047	32.7
82.54527	0.5
82.69184	0.5
83.04975	2.1
84.96028	0.7
85.02876	0.6
87.04462	0.7
87.25459	0.6
91.05467	7.9
93.07033	40.1
94.04172	0.8
95.04955	6.0
95.08595	15.8
95.09204	0.9
97.06521	6.6
97.10172	1.0
98.98460	0.9
103.00610	1.9
103.05437	1.6
105.03401	0.6
105.04505	2.2
105.07006	13.0
106.04163	3.1
106.07846	0.8
107.04945	9.3
107.06052	1.0
107.08574	11.2
108.04453	0.9
109.02892	0.7
109.06523	2.7
109.10145	3.3
111.04431	0.8
111.05544	0.6
111.08056	6.9
119.08566	2.3
120.02052	0.8
121.01650	12.0
121.02488	0.7
121.06532	4.1
121.07629	2.2
121.10129	100.0
122.03659	1.3
122.05973	0.8
122.10474	2.3
123.04411	13.6
123.08080	3.5
123.11692	12.9
124.05231	4.3
125.05991	7.3
125.06985	1.1
131.08560	1.5
133.07602	1.5
134.03633	1.2
135.04387	2.2
137.05920	1.1
138.03008	0.7
139.02693	4.0
139.07556	0.7
139.10164	1.1
139.11162	13.3
140.07056	1.5
141.35716	0.6
144.03192	6.6
144.04028	0.6
149.02327	1.8
149.05995	0.9
149.07080	2.1
149.09589	8.9
149.13251	0.5
151.03935	2.8
152.04665	4.0
161.87349	0.5
162.04282	1.8
167.07010	45.9
167.08109	2.7
167.10651	7.9
167.14290	1.4
170.93312	0.5
180.11832	0.5
188.15276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02374	0.5
53.03934	1.4
55.01866	1.1
55.05500	2.7
57.03429	2.3
57.03677	0.4
57.07067	1.2
59.04987	1.2
61.46124	0.4
62.95771	0.3
64.10870	0.3
65.03931	0.6
67.05491	2.7
69.03419	1.3
69.07052	1.4
71.00121	0.6
71.04978	0.6
75.04467	5.0
77.03896	1.8
78.04697	2.0
79.05476	15.2
80.05051	0.3
81.07038	14.5
83.04974	1.6
83.08619	0.5
87.04444	1.7
91.05464	14.1
93.07024	100.0
94.07359	1.8
95.04333	0.4
95.04949	7.4
95.08582	5.9
97.06504	2.4
102.03686	0.3
103.00610	0.8
103.05466	1.4
105.04508	2.2
105.07008	13.9
106.04153	1.0
106.61084	0.3
107.04945	2.1
107.06086	0.4
107.08578	7.5
109.06502	1.8
111.04427	0.9
111.08055	25.3
112.08382	0.4
119.06034	0.7
119.08552	2.8
121.01635	3.1
121.06488	1.4
121.10118	89.4
122.03609	0.6
122.10464	2.2
123.04420	3.8
123.08035	3.4
123.11678	3.0
124.05180	1.3
125.05975	2.6
125.09576	0.7
125.68028	0.3
131.08540	2.2
133.07581	2.1
134.03668	0.4
135.04407	0.5
137.05888	0.4
139.02658	0.9
139.07553	0.5
139.11157	7.0
144.03174	1.5
149.02316	1.0
149.07069	0.8
149.09590	7.8
151.03902	0.7
152.04669	0.8
152.06003	0.4
162.04324	0.4
167.05576	0.7
167.07007	14.1
167.08324	1.4
167.10652	6.1
167.11972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03942	1.4
54.06666	0.4
55.01858	2.2
55.05500	3.6
56.56409	0.3
57.03426	1.8
57.07065	1.5
59.04990	1.8
61.55262	0.4
65.03934	1.2
66.04689	0.5
67.05492	6.7
69.03417	2.8
69.07057	2.5
71.05000	0.8
73.02913	1.6
77.03918	1.1
78.04681	2.9
79.05478	26.8
81.07041	33.6
82.07380	1.0
83.04967	2.4
83.08622	0.6
91.05463	10.7
93.03384	0.6
93.07027	53.7
94.04163	0.7
94.07367	1.1
95.04942	4.7
95.08588	12.4
97.06516	6.8
103.00636	1.4
103.05459	1.5
103.84915	0.4
105.04524	1.3
105.07010	13.5
106.04179	1.6
106.07837	0.7
107.04936	5.0
107.08571	10.6
108.04449	0.5
109.06497	5.8
109.10091	0.5
111.04424	1.7
111.08074	2.8
113.58442	0.5
116.06274	0.8
119.06008	0.5
119.08584	2.2
120.80392	0.5
121.01649	3.3
121.06492	4.5
121.10121	100.0
122.03634	0.8
122.10452	1.5
123.04410	5.1
123.08055	4.4
123.11690	9.6
124.05195	1.6
125.05963	8.8
125.09608	1.2
126.06514	0.5
131.08539	5.4
133.07573	2.3
135.04369	1.1
139.02687	0.9
139.07539	0.5
139.11153	12.0
144.03221	1.9
149.02348	0.9
149.05942	0.5
149.09590	12.3
149.13246	0.6
151.03841	1.2
152.04639	1.2
162.02199	0.4
162.04262	0.6
167.06999	17.7
167.08179	1.1
167.10645	12.1
167.14293	0.9
184.54982	0.4
186.16676	0.4
188.13252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03928	0.8
55.01859	1.3
55.05505	5.0
57.03419	1.9
57.07064	1.7
59.05003	2.9
64.22488	0.5
65.03941	0.9
67.05498	6.7
69.03414	1.9
69.07055	4.0
71.04971	1.9
71.44563	0.6
73.02894	1.6
77.03909	0.9
78.04681	1.2
79.05481	24.9
81.07047	32.2
81.33055	0.5
83.04969	4.5
83.08605	1.0
85.06538	0.7
87.04458	0.6
91.05466	11.4
93.07033	54.8
94.07363	1.0
95.04958	5.2
95.08592	14.0
96.08930	0.5
97.06519	7.1
103.00607	1.1
103.05446	1.6
105.04506	1.5
105.07020	12.7
106.07820	0.8
107.04958	4.3
107.08582	12.1
108.05711	0.6
109.06512	6.4
109.10111	1.0
111.04403	2.3
111.08039	3.6
119.06004	0.5
119.08529	2.9
121.01635	3.3
121.06504	3.7
121.10127	100.0
122.10483	1.6
123.04417	2.4
123.08037	4.4
123.11691	10.7
123.12525	0.9
124.05225	0.7
125.05964	7.2
125.09628	1.9
131.08543	5.6
133.07623	1.4
135.04454	0.7
139.02734	0.9
139.07512	0.5
139.10155	0.9
139.11166	12.7
144.03224	2.7
149.02344	0.8
149.07141	0.8
149.09595	13.5
149.13203	0.6
150.09970	0.5
151.03877	0.8
152.04669	1.1
162.04413	0.7
167.07013	9.7
167.08372	1.4
167.10652	14.3
167.11971	1.0
167.14282	1.6
170.66431	0.5
184.50636	0.5
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
53.03936	1.2
55.01878	1.3
55.05507	4.8
57.03426	2.6
57.07063	1.6
59.04982	2.0
64.45523	0.5
65.03930	0.7
67.05499	6.0
69.03421	2.2
69.07057	4.2
69.16612	1.8
69.17033	1.4
71.04980	1.8
73.02907	1.3
75.04474	0.8
76.87274	0.5
77.03922	2.0
78.04697	2.0
79.05486	27.3
79.34216	0.5
79.79663	0.4
81.07049	31.2
83.04980	3.9
83.08596	0.7
85.02898	0.7
85.06519	0.7
91.05470	10.5
93.07037	54.7
94.07344	1.1
95.04963	5.9
95.08598	13.3
97.06521	7.3
97.10150	0.8
99.04451	0.7
103.00600	0.7
103.05470	1.5
105.04519	1.8
105.07023	15.2
106.04160	1.2
107.04950	6.4
107.08582	15.8
108.05737	0.5
109.06514	6.5
109.10114	1.2
111.04424	2.3
111.08063	4.1
116.06217	0.6
119.06068	0.8
119.08550	2.5
121.01649	3.3
121.06545	4.1
121.07659	1.5
121.10130	100.0
122.10490	2.0
123.04416	2.1
123.08067	5.3
123.11699	9.7
124.05215	0.8
125.05981	7.9
125.09625	2.3
131.08574	6.1
132.04485	1.3
133.07584	2.2
135.04388	0.7
135.35373	0.7
137.09601	0.5
139.02672	0.8
139.07573	1.0
139.11162	10.1
144.03249	2.3
149.05954	0.9
149.07063	1.5
149.09599	13.7
149.13225	0.9
150.05504	0.7
152.04613	1.0
167.06990	8.4
167.08261	1.8
167.10648	14.5
167.11989	1.0
167.14294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0655
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
53.03931	2.7
55.01853	1.5
56.96554	14.1
65.03918	2.3
67.05497	13.2
67.92501	10.0
69.65491	1.9
69.65873	1.6
70.06590	1.0
70.95868	1.3
71.04977	1.1
77.03909	3.5
79.05038	1.7
79.05483	31.0
80.04989	1.6
80.05846	1.0
81.03394	3.7
82.94830	21.0
84.04488	1.0
85.02880	0.9
85.93517	2.6
88.96875	1.3
94.06558	31.9
94.07139	1.1
95.04957	23.3
96.04461	2.4
96.05270	0.8
97.06545	1.7
98.06037	1.6
98.97534	1.6
99.04449	2.0
100.95860	2.5
103.00606	2.5
103.98323	1.0
104.04958	1.1
105.03381	93.7
105.04398	5.8
106.03709	2.7
106.06546	1.3
107.04955	7.1
108.04459	4.5
108.05105	0.8
109.02861	1.8
111.26434	0.9
116.98583	1.0
119.01900	3.5
120.23777	0.7
121.01648	12.9
121.99346	3.6
122.01995	5.4
122.06014	100.0
123.04414	62.1
123.97423	9.9
124.03898	1.3
124.04713	1.5
124.07578	0.9
126.05482	3.5
126.06427	0.9
126.93777	6.6
132.04332	0.9
133.01897	1.5
133.02834	21.6
134.05989	1.8
134.99660	1.5
139.02667	4.7
140.00363	3.1
140.03195	1.5
140.07031	2.0
141.05432	1.4
141.06992	1.2
144.03198	3.8
144.94772	7.0
144.98079	2.0
145.00920	4.1
145.03519	9.0
147.03000	1.0
150.05470	20.0
151.03877	17.8
152.07028	3.1
154.04941	2.1
156.03299	22.2
156.53513	0.9
162.04257	1.4
162.95856	14.0
162.99126	3.3
163.01942	1.8
163.04576	2.6
165.03955	0.9
167.96381	3.0
168.06534	49.7
168.10178	1.7
169.05124	0.9
169.06633	1.1
169.13330	0.9
174.04362	54.9
177.06812	0.8
185.97488	2.6
186.04381	7.4
186.05946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0655
Annotation	D-4-Hydroxyphenylglycine
Peak:m/z	Relative Intensity
53.03939	0.4
53.57450	0.2
55.01871	0.5
55.68696	0.1
65.03940	0.6
67.05500	4.4
67.92495	0.8
68.99788	1.4
69.95158	0.2
70.06580	0.4
70.80575	0.2
77.03929	0.5
79.05485	1.9
82.94850	1.1
95.04959	7.8
96.04471	0.2
96.70219	0.2
104.31159	0.2
105.03386	0.5
105.04517	0.4
108.04432	0.3
111.04453	0.2
122.06038	0.3
122.08800	0.1
123.04417	100.0
123.97453	0.5
124.03870	0.3
124.04743	2.4
126.05486	0.2
126.93772	0.4
144.94801	0.5
150.05489	0.3
151.03886	25.2
152.04263	0.5
162.95885	0.5
168.06526	3.2
168.75621	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	168.1382
Annotation	Kinabalurine C
Peak:m/z	Relative Intensity
53.03939	1.2
55.01875	0.9
55.05505	8.1
55.12977	0.6
56.05021	1.3
57.03428	3.1
57.07060	0.9
62.08724	0.5
65.03936	1.3
67.05494	18.6
67.29792	0.5
69.03420	2.3
69.07053	4.6
69.94564	0.6
69.94904	1.3
70.06581	100.0
71.04996	1.2
71.06920	0.9
77.03944	0.7
79.05479	14.1
80.05012	1.1
80.05827	2.0
81.03425	0.8
81.07043	53.0
82.07381	0.8
82.94819	0.9
83.04967	2.9
85.06532	0.6
87.05582	0.6
91.05466	51.1
92.05801	2.2
93.07040	6.6
93.15668	0.6
94.06557	1.5
94.07376	1.8
95.04961	5.3
95.08580	5.0
96.05289	0.6
97.02888	0.6
97.06519	1.3
105.07016	7.9
106.07317	0.6
107.04935	0.6
107.08582	6.0
108.04492	1.4
108.05289	1.5
108.08089	1.5
108.08898	0.7
109.06502	11.7
109.10155	1.8
118.48438	0.5
121.10110	1.2
122.06034	1.2
122.06832	1.3
122.09655	3.6
122.10448	0.8
123.04401	2.0
123.08032	1.6
123.11694	7.9
123.97453	0.8
126.05537	1.0
126.06558	0.9
126.93789	0.8
133.10098	4.4
134.06009	0.9
136.07578	1.3
138.09125	1.5
139.11160	0.9
140.07011	1.6
141.05489	1.0
150.05458	1.4
150.12737	5.0
151.03941	0.9
151.06129	1.1
151.11153	14.9
152.07097	0.7
154.58469	0.6
162.95865	1.6
168.07402	12.1
168.13811	66.3
168.17505	1.6
169.05009	0.7
169.07578	10.9
169.14091	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
51.13726	0.5
53.03928	1.5
55.01863	2.4
55.05504	10.8
57.03426	1.8
57.06779	0.7
57.07066	14.2
59.04989	2.1
65.03924	5.2
67.05495	68.8
67.91303	0.6
68.05813	0.8
69.03422	14.2
69.07059	21.3
69.60626	2.4
71.01324	1.0
71.04979	11.3
71.08619	0.9
79.05483	13.4
81.03437	1.6
81.07046	100.0
82.07379	1.6
83.04966	1.1
83.08636	3.2
85.06530	35.1
86.09692	18.9
91.05470	3.6
93.07034	6.1
95.04958	30.6
95.08595	10.3
96.05267	0.7
97.06525	1.3
97.10152	1.0
105.04458	0.7
105.07022	4.1
107.08580	5.0
109.02880	1.1
109.06506	5.4
109.10142	36.6
110.06114	0.8
111.04458	0.8
111.08074	1.8
113.05994	1.1
121.10108	1.5
123.08053	1.4
123.11687	28.0
124.12062	0.9
125.09613	6.9
127.11185	2.7
128.10695	3.1
133.10121	2.1
141.05487	1.7
151.08652	0.8
151.11163	3.2
152.07051	1.5
166.33459	0.5
169.04974	1.2
169.07628	1.4
169.12230	1.7
170.05984	0.9
170.09679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
53.03938	3.6
55.01865	3.6
55.05505	47.2
55.06564	0.8
56.05003	0.9
56.05818	1.3
56.96555	1.4
59.04990	2.4
65.03931	77.8
67.05495	7.4
68.99792	1.3
69.03412	2.9
69.07055	2.1
69.48537	4.0
71.04984	11.7
79.05482	8.9
81.03418	2.8
81.07045	26.1
83.04973	11.7
83.08618	2.3
85.02886	1.9
85.06494	1.7
88.33514	0.8
91.05482	2.8
93.03391	31.3
93.05757	1.2
93.07004	4.9
94.03767	1.0
95.04956	4.7
95.08608	4.6
97.06527	5.7
98.09660	4.4
99.04453	1.8
103.95623	1.1
105.07016	3.6
107.08598	5.1
108.02095	1.6
109.02846	4.2
109.06505	6.1
109.10146	5.1
110.03654	13.3
110.06031	1.2
111.04428	100.0
111.08056	11.5
112.04754	2.8
113.06024	1.6
115.05395	1.0
119.25380	0.8
120.12135	0.8
123.04433	1.7
123.08052	4.2
123.11684	4.7
124.07555	1.5
125.05969	26.5
126.03162	1.1
126.06328	1.1
126.09170	4.8
127.03909	1.2
128.95059	0.8
134.05988	5.1
137.02312	2.2
141.05426	2.5
141.07002	1.2
151.03888	19.9
151.04996	2.8
151.07556	1.4
151.08656	3.0
151.11171	7.6
152.07066	8.6
163.97711	1.2
169.04971	7.9
169.07558	2.5
169.09718	7.6
169.12231	3.4
170.05904	1.0
170.08141	2.0
170.09613	1.2
181.98756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0811
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
52.13308	0.2
53.03916	0.3
55.01859	0.3
55.05491	0.4
56.96557	2.1
61.02919	0.4
65.03916	0.6
67.05494	0.3
68.05013	0.4
69.03420	2.5
69.61705	0.7
69.62109	0.4
71.04980	0.4
72.04507	0.8
72.08154	0.4
73.02887	0.3
79.05492	1.5
80.05003	0.4
81.03390	0.7
81.05766	0.6
82.06566	0.5
83.06075	0.6
83.08605	0.3
84.94884	0.3
85.02909	0.4
85.07649	0.5
87.01868	0.3
89.07125	0.2
92.04993	0.5
93.05765	0.7
95.04926	0.6
96.04490	0.3
96.06873	1.9
96.07446	0.3
96.08105	1.6
97.02879	3.1
97.06525	0.3
97.07645	0.4
100.02469	0.3
101.00858	0.8
103.02420	0.7
106.06538	1.3
107.04910	0.3
109.02880	0.4
109.07623	1.2
110.06017	0.7
110.07143	0.4
111.04439	0.5
114.05495	0.3
115.02435	0.6
119.01904	2.1
123.06802	0.9
124.07571	6.5
124.08681	3.2
124.11222	0.3
125.06004	0.3
125.07101	0.3
128.10629	0.3
129.00328	0.4
131.01859	0.6
133.03548	0.4
134.05991	70.1
135.04491	0.2
135.06326	2.1
137.02963	0.4
139.03879	0.8
142.03476	0.4
142.08623	0.5
143.01895	0.6
145.03423	0.5
146.02937	0.3
146.99606	0.3
147.01343	1.4
147.03165	0.3
147.04997	0.2
152.07040	100.0
153.05447	0.3
153.07433	3.0
155.01848	0.8
157.03462	0.3
159.03926	1.4
161.02948	0.7
167.01906	0.2
170.02950	1.3
170.08098	12.8
170.09499	2.3
170.11670	0.4
171.11212	1.3
171.14801	0.2
173.02959	0.8
175.63968	0.2
185.02873	0.9
189.00636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.07066	2.2
60.04518	0.2
70.22932	0.1
72.04507	1.0
83.08613	0.1
86.06068	0.9
86.09692	100.0
87.09486	0.2
87.10009	1.5
89.07150	0.2
116.10724	0.9
118.62594	0.1
124.07594	0.1
128.10696	19.4
128.95091	0.1
129.11034	0.3
134.05994	0.2
142.12251	0.5
146.96149	0.1
152.06987	0.2
170.06120	0.1
170.08075	0.2
170.09621	0.2
170.11745	2.9
171.14923	0.3
175.62154	0.1
177.65451	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	171.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32166	34.6
69.73045	100.0
96.47164	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	171.0651
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03941	0.7
55.01866	2.0
55.05507	5.0
56.96556	1.6
64.89926	0.3
65.03935	29.6
66.04265	0.4
67.05504	2.6
68.99786	9.1
69.03421	1.6
69.07066	0.7
70.75738	0.8
70.94250	0.7
71.04985	0.5
72.04514	7.2
81.03414	3.8
83.04976	12.0
83.08619	1.4
84.08085	0.4
88.95295	0.7
89.07145	5.1
93.03393	7.4
95.04948	0.5
95.61864	0.4
96.02088	1.4
97.02882	2.3
97.06561	0.4
98.97587	1.4
109.02848	0.5
110.03645	0.6
111.04433	91.1
112.04768	1.7
113.58576	0.4
115.05462	0.7
116.98645	2.0
121.02874	1.6
121.03970	11.5
122.73783	0.3
127.03893	0.5
128.98573	0.4
134.99652	1.0
135.09241	0.3
139.03885	100.0
140.04158	1.8
146.99692	0.4
162.00462	0.4
165.97711	0.6
171.06529	4.9
171.11363	0.5
171.14906	2.4
174.73906	0.4
179.44395	0.4
189.00656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
54.89630	0.4
55.01872	2.1
55.05503	4.0
56.96554	1.0
58.98409	0.4
65.03929	33.6
67.05499	1.2
68.99779	10.9
69.03418	2.4
69.56310	1.3
70.94248	0.4
72.04508	2.7
79.01849	1.0
81.03408	5.4
83.04965	11.7
83.08627	0.9
83.11929	0.4
85.02887	0.4
89.07137	1.5
93.03389	12.1
95.04960	0.6
96.02086	1.5
97.02856	2.5
98.97570	1.1
111.00793	1.6
111.04422	100.0
112.04760	1.8
116.98629	0.9
121.02877	1.2
121.03965	11.1
127.03867	1.2
135.06332	1.4
139.03874	93.5
139.19875	0.5
140.04228	1.3
153.01825	1.2
153.05437	0.4
153.07365	2.2
156.03616	0.4
171.06506	4.3
171.14912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1015
Annotation	Boonein
Peak:m/z	Relative Intensity
51.02380	0.6
53.03920	0.7
55.01865	2.3
55.05499	6.3
57.03428	3.4
63.91412	0.5
65.03933	4.0
67.05495	71.1
67.61742	0.6
68.05827	1.1
69.03415	0.8
69.07056	1.9
70.07720	1.2
71.04977	1.9
72.04507	6.3
73.02908	9.4
79.05481	48.4
80.05827	1.1
81.07044	46.0
83.04969	10.1
83.08606	1.7
83.81401	0.6
89.07150	4.4
91.05463	8.4
93.03377	4.3
93.07043	4.3
95.08617	0.8
97.06509	2.3
97.10168	1.3
105.06998	3.6
107.04929	2.1
107.08578	100.0
108.08915	1.9
109.06510	2.5
109.10142	18.5
111.04424	35.4
111.08058	2.2
112.04765	0.6
113.02997	0.5
115.05447	3.0
117.07009	3.1
119.06075	1.5
125.09613	13.0
128.06232	0.6
130.96228	0.6
135.08029	10.7
135.11623	0.5
137.69359	0.5
139.03857	1.5
143.08502	0.6
149.52065	0.5
152.54541	0.5
153.09084	55.7
154.09383	1.8
156.09309	2.0
168.54416	0.6
171.10143	28.0
171.11423	1.0
171.14935	2.6
172.10556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03920	0.7
55.01865	2.3
55.05499	6.3
57.03428	3.4
63.91412	0.5
65.03933	4.0
67.05495	71.1
67.61742	0.6
68.05827	1.1
69.03415	0.8
69.07056	1.9
70.07720	1.2
71.04977	1.9
72.04507	6.3
73.02908	9.4
79.05481	48.4
80.05827	1.1
81.07044	46.0
83.04969	10.1
83.08606	1.7
83.81401	0.6
89.07150	4.4
91.05463	8.4
93.03377	4.3
93.07043	4.3
95.08617	0.8
97.06509	2.3
97.10168	1.3
105.06998	3.6
107.04929	2.1
107.08578	100.0
108.08915	1.9
109.06510	2.5
109.10142	18.5
111.04424	35.4
111.08058	2.2
112.04765	0.6
113.02997	0.5
115.05447	3.0
117.07009	3.1
119.06075	1.5
125.09613	13.0
128.06232	0.6
130.96228	0.6
135.08029	10.7
135.11623	0.5
137.69359	0.5
139.03857	1.5
143.08502	0.6
149.52065	0.5
152.54541	0.5
153.09084	55.7
154.09383	1.8
156.09309	2.0
168.54416	0.6
171.10143	28.0
171.11423	1.0
171.14935	2.6
172.10556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1378
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
52.35364	1.4
55.01865	2.0
55.05504	22.1
56.16699	1.4
56.96557	1.6
57.03428	3.6
57.07056	4.2
59.04987	8.5
65.03953	2.5
67.05504	12.2
69.03425	1.9
69.07059	19.2
70.94264	1.9
71.04983	72.4
72.04507	30.4
73.06545	20.7
74.39032	1.2
79.05477	26.9
81.07046	100.0
81.56544	1.5
82.07379	2.1
83.04992	5.6
83.08611	13.7
84.04529	2.1
85.06530	13.5
87.04480	1.5
89.07140	20.4
91.05468	7.6
91.47334	1.3
93.03407	1.8
93.06438	2.8
93.07030	55.1
95.04952	8.9
95.08585	12.0
97.06515	10.4
98.97623	2.8
99.04443	1.7
105.07008	2.4
107.08583	45.7
109.06492	4.4
109.10142	11.7
111.04433	5.5
111.08088	6.6
115.05444	3.3
116.89458	1.3
116.98610	3.0
119.08650	1.8
123.11697	28.9
125.09586	3.6
128.06183	7.2
129.07016	1.6
135.08040	1.9
135.11673	58.0
141.06996	3.3
141.12720	48.5
141.13780	2.9
143.04887	1.7
143.08524	8.7
144.63281	1.5
153.09114	4.4
153.12723	42.9
156.05704	1.5
156.09222	7.7
167.06297	1.4
171.04338	3.0
171.07957	12.1
171.10239	2.3
171.11606	8.7
171.13737	3.4
171.14975	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	171.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35364	1.4
55.01865	2.0
55.05504	22.1
56.16699	1.4
56.96557	1.6
57.03428	3.6
57.07056	4.2
59.04987	8.5
65.03953	2.5
67.05504	12.2
69.03425	1.9
69.07059	19.2
70.94264	1.9
71.04983	72.4
72.04507	30.4
73.06545	20.7
74.39032	1.2
79.05477	26.9
81.07046	100.0
81.56544	1.5
82.07379	2.1
83.04992	5.6
83.08611	13.7
84.04529	2.1
85.06530	13.5
87.04480	1.5
89.07140	20.4
91.05468	7.6
91.47334	1.3
93.03407	1.8
93.06438	2.8
93.07030	55.1
95.04952	8.9
95.08585	12.0
97.06515	10.4
98.97623	2.8
99.04443	1.7
105.07008	2.4
107.08583	45.7
109.06492	4.4
109.10142	11.7
111.04433	5.5
111.08088	6.6
115.05444	3.3
116.89458	1.3
116.98610	3.0
119.08650	1.8
123.11697	28.9
125.09586	3.6
128.06183	7.2
129.07016	1.6
135.08040	1.9
135.11673	58.0
141.06996	3.3
141.12720	48.5
141.13780	2.9
143.04887	1.7
143.08524	8.7
144.63281	1.5
153.09114	4.4
153.12723	42.9
156.05704	1.5
156.09222	7.7
167.06297	1.4
171.04338	3.0
171.07957	12.1
171.10239	2.3
171.11606	8.7
171.13737	3.4
171.14975	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	173.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
56.96559	100.0
60.04549	0.4
70.06586	1.5
70.39116	0.8
70.98077	0.5
72.08150	0.6
72.96046	0.6
74.97619	1.4
82.58050	0.5
82.99789	0.5
83.04958	2.3
85.02876	0.6
90.94839	0.6
98.97572	3.1
101.00869	1.4
101.06014	1.9
111.01175	0.8
111.04454	2.3
114.09194	0.6
116.98615	1.0
119.01902	3.4
126.12205	0.5
127.00668	13.5
128.98607	0.8
129.02229	49.8
130.02654	0.5
131.01875	0.9
132.95862	0.5
137.03072	0.5
141.01723	0.4
145.01733	5.6
147.03271	47.2
155.00130	11.7
155.02008	0.6
155.06998	1.5
159.02930	0.5
163.02902	0.6
165.04343	5.8
172.10938	0.5
173.01205	62.9
173.06514	1.5
173.08095	2.2
174.01588	1.1
191.02252	55.2
192.02556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0597
Annotation	6-Methyl-1,4-naphthoquinone
Peak:m/z	Relative Intensity
50.01603	0.2
51.02377	0.4
53.03931	0.2
55.01868	0.2
55.05503	5.6
57.22897	0.2
59.04995	0.8
62.01580	0.2
63.02373	0.2
65.03941	0.2
67.05491	0.5
72.93781	1.9
77.03905	0.2
81.07036	0.3
81.14205	0.2
83.04972	5.0
87.04465	0.3
89.02394	0.6
89.03915	0.5
90.92146	0.1
90.94815	1.3
91.05466	10.8
92.05811	0.3
95.04970	0.5
95.06091	0.3
101.06008	3.6
102.04675	9.1
103.03261	0.2
103.05466	2.1
105.03389	0.4
105.04538	0.3
105.07039	0.5
107.40959	0.2
108.95842	0.5
111.03661	0.3
111.04428	5.7
111.05164	0.3
112.04767	0.2
113.05969	0.8
115.05442	100.0
116.05675	2.5
117.07003	50.4
118.07327	1.2
119.08572	0.5
127.05426	6.0
127.06367	0.3
127.07512	0.8
128.06201	0.8
129.05478	2.1
129.07005	0.6
130.04131	6.1
130.07750	0.4
131.04988	0.9
131.08553	2.6
132.95821	0.3
133.06438	0.2
137.05975	0.2
139.15125	0.2
143.04906	3.4
143.08589	0.9
144.05690	0.9
144.09328	0.4
145.06467	53.7
145.10106	1.1
146.06831	1.5
149.96092	0.4
150.96875	0.4
155.06001	30.4
155.07022	2.7
156.06349	0.7
158.10892	1.4
161.05957	4.5
167.97136	0.4
171.04297	0.3
171.05553	0.4
172.05220	0.6
173.05960	41.3
173.08076	4.2
173.13228	4.2
174.06369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	51.0
57.03428	3.1
57.07062	2.5
57.08891	1.3
59.04996	13.3
65.03924	2.5
67.05495	100.0
69.03426	2.4
69.07059	3.0
70.16611	3.7
71.04984	3.0
72.93781	16.8
76.02217	3.9
79.05478	2.6
81.04503	2.3
81.07045	13.6
83.04971	44.5
83.08605	8.7
85.06532	4.5
86.09686	6.4
87.04459	3.2
89.02383	4.5
90.90363	4.1
90.94812	15.7
91.05473	7.7
93.07027	3.7
95.06068	3.2
95.08603	3.7
101.06008	31.3
103.03271	3.8
105.07043	4.0
107.08584	2.5
108.95872	5.8
109.07621	1.9
109.10144	69.8
110.10458	2.2
111.04426	46.2
113.05969	5.2
113.96372	2.2
115.05395	2.2
117.07001	4.1
118.06549	1.6
119.08562	4.8
127.07533	4.2
129.05469	19.2
129.06952	2.4
130.07764	1.2
131.08554	17.0
131.97403	3.0
132.95828	1.7
137.07045	1.6
137.09557	1.7
143.08530	2.7
145.06511	2.2
145.07597	5.5
145.08746	1.3
145.10085	8.1
149.93988	2.1
149.96069	3.6
150.96872	3.2
155.07010	29.3
155.08104	1.6
158.10838	1.6
167.97157	5.9
173.08138	42.4
173.09619	1.8
173.11725	4.6
173.13252	20.9
174.05473	3.1
174.07596	1.5
174.12805	2.1
180.23343	1.6
187.24066	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1171
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.05503	14.5
57.03429	58.5
59.04988	4.2
67.05491	2.3
69.07032	1.1
69.46581	4.7
70.46956	1.2
71.04981	1.6
71.08620	100.0
72.08940	1.4
72.93793	2.9
73.02901	1.1
75.04456	5.8
76.02222	2.7
79.05460	1.4
81.04518	2.3
81.07054	1.8
83.04972	12.1
87.04460	5.4
89.06019	14.7
90.90376	3.1
90.94807	4.2
91.05427	2.7
95.06072	4.1
98.23393	1.8
98.98456	6.7
99.08076	51.0
101.06006	7.8
103.03285	5.5
105.07011	2.8
107.21236	1.1
109.07643	1.8
111.04424	9.0
117.06979	3.1
117.09104	26.2
122.52850	1.2
125.89017	1.2
129.05473	5.4
131.08549	17.0
131.92963	1.1
132.06523	1.1
135.10025	1.2
137.07079	3.3
143.08549	1.5
145.07622	2.0
145.10103	4.3
149.94081	2.9
155.07001	7.0
155.08093	2.0
173.08203	13.1
173.11716	26.5
173.13239	13.6
174.12723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90852	1.7
55.05510	41.2
57.03436	49.7
59.04991	9.6
69.03421	2.9
69.44264	9.6
71.06093	2.2
71.08627	100.0
72.93790	19.7
75.04482	5.5
76.02220	4.4
81.04548	2.3
81.07050	3.1
83.04979	37.7
87.04462	5.3
88.42901	1.9
89.02407	3.9
89.06024	15.6
90.90366	8.9
90.94832	16.8
91.25816	1.8
95.06087	7.3
99.08088	46.9
100.07645	2.0
101.06008	33.0
103.03262	8.4
108.95868	5.9
111.03750	3.6
111.04443	37.6
113.05991	4.3
113.96396	3.8
117.09135	22.8
117.39845	1.7
127.07531	5.4
129.05449	17.1
131.08505	4.6
131.97444	2.1
132.06577	2.8
137.07097	3.3
145.07594	2.0
145.10185	2.4
149.94066	5.7
149.96098	6.3
155.07013	25.9
155.08131	4.4
167.97137	5.2
173.08145	42.9
173.11775	22.5
173.13112	3.9
174.07625	3.0
174.12802	3.6
190.69505	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.04884	0.5
54.44673	0.5
55.05500	4.8
57.07066	1.8
59.04985	1.1
64.16039	0.5
67.05504	3.1
69.07079	0.6
70.82923	0.9
71.06078	0.6
71.11266	0.5
72.93786	0.8
74.43474	0.5
79.05471	4.3
79.73711	0.5
81.07043	3.0
83.04964	4.1
90.94794	0.7
91.05460	16.6
93.07027	3.7
95.04974	0.6
95.06062	1.0
95.08574	1.5
101.06008	2.5
103.03295	1.6
105.07013	10.7
107.08582	1.2
109.07610	1.1
111.04408	4.6
113.05933	0.6
115.05417	1.4
116.06194	2.1
117.07000	14.3
119.08541	4.3
123.45752	0.5
127.07564	1.0
128.06223	0.6
129.05450	1.7
129.06976	4.9
130.07751	2.5
131.08542	100.0
132.08800	2.5
137.07097	1.0
138.62659	0.5
141.19695	0.5
143.08464	1.5
144.09331	3.0
145.10098	17.4
153.73534	0.5
155.07045	2.3
155.08127	0.8
158.06062	0.7
158.10886	0.8
171.11642	1.3
173.08339	6.6
173.13226	75.9
174.13570	1.9
181.93146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
57.03431	1.7
57.07068	45.7
57.73725	1.0
61.36998	0.9
62.02444	64.8
63.23390	0.9
72.93764	1.1
84.04482	2.2
84.05291	1.8
88.03981	3.5
90.05548	3.0
97.02887	1.9
98.98457	17.1
105.06929	0.9
112.04760	1.6
118.08637	89.8
128.07077	1.1
130.05734	1.1
132.06540	3.2
132.08070	2.8
144.08066	1.2
146.06032	1.3
146.11713	1.1
146.58473	0.9
150.96901	2.2
173.81531	0.9
174.05450	0.9
174.07422	4.6
174.12715	6.2
174.14873	100.0
175.15166	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	174.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57760	0.3
56.05832	0.4
57.07069	4.7
61.02920	3.2
66.82350	0.3
69.70728	1.1
70.95869	0.4
72.93759	0.7
73.02906	1.1
80.06290	0.3
86.09693	100.0
87.10021	1.1
89.06024	2.9
91.05414	0.5
98.98458	5.5
101.06030	0.4
102.06304	0.5
105.06954	0.4
112.23882	0.3
114.05457	0.3
115.05416	0.3
118.06579	0.4
119.04877	0.5
119.08581	0.6
130.97641	0.3
132.06523	0.7
132.08061	0.5
132.95795	0.4
133.10083	0.5
146.05997	1.0
146.11739	0.4
150.96852	0.7
160.05241	0.3
174.05461	1.5
174.07527	0.6
174.12779	1.0
174.14879	13.3
175.07458	0.5
175.14931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0386
Annotation	Lawsone
Peak:m/z	Relative Intensity
60.05630	2.0
65.03925	8.7
67.71386	0.8
69.33865	3.3
70.06592	5.1
70.24438	0.8
79.05477	0.9
83.66354	0.7
91.05467	92.7
92.05794	2.2
93.07001	1.0
95.08623	0.7
98.98450	40.3
103.05446	2.2
105.06997	2.4
107.08559	0.9
108.35101	0.7
116.07053	1.7
116.97237	1.7
116.99515	1.6
119.04933	28.7
119.08547	3.5
131.08575	0.9
133.10123	2.3
147.04387	84.0
147.11652	0.8
148.04703	2.0
151.93860	1.7
157.04297	0.8
175.03874	100.0
175.11084	1.3
175.14775	4.2
176.04198	2.9
176.06960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0389
Annotation	Lawsone
Peak:m/z	Relative Intensity
50.01595	0.5
51.02386	1.3
53.03950	0.3
55.01867	5.5
55.02136	0.3
55.05511	0.6
56.96564	0.6
57.93565	0.5
61.52423	0.3
65.03931	3.7
67.05501	0.5
69.03420	0.4
70.06586	1.5
75.94569	0.3
77.03922	24.2
79.05495	0.4
81.03403	0.4
81.07056	0.4
86.40005	0.3
90.94779	0.3
91.05473	35.5
92.05805	0.7
95.04958	2.0
97.73769	0.3
98.98458	32.2
103.05457	1.3
105.03388	10.7
105.04488	0.6
105.07043	1.6
107.04940	0.9
111.04371	0.3
115.05444	1.2
116.06200	0.8
116.97216	2.7
116.98580	0.8
116.99482	0.9
117.07025	1.4
119.04929	12.2
119.08562	2.9
120.05251	0.6
121.06493	1.1
123.04407	0.5
128.06197	2.8
129.06989	8.9
130.06509	1.5
131.04852	0.3
131.08537	3.6
131.99550	0.5
132.04402	0.4
132.05705	0.7
133.02837	100.0
133.06367	1.5
133.10117	0.8
134.03165	2.1
134.95866	0.5
134.99643	0.7
145.06461	0.9
147.04395	19.3
147.08011	3.6
148.04790	0.5
150.96855	0.5
151.97093	0.5
152.96849	1.0
157.06432	2.7
157.07622	0.7
158.06010	0.7
160.05171	1.0
175.03886	14.2
175.07442	5.3
175.10968	0.4
175.14798	0.7
175.98468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05919	0.5
56.96555	1.7
58.99850	1.3
60.31424	0.5
65.17135	0.5
69.15818	1.6
69.16245	1.8
72.66118	0.6
73.06536	0.6
74.43237	0.5
77.00910	0.8
82.99838	1.4
85.01401	7.8
87.93265	0.5
95.08619	0.6
98.97583	7.4
98.98456	29.6
101.00867	14.7
102.00928	0.9
103.00624	1.1
103.02431	29.0
104.02553	0.8
110.03003	0.5
113.00848	0.8
115.02406	7.0
116.01941	1.5
116.97233	1.6
116.98619	5.8
116.99438	1.0
119.01904	60.7
120.01994	4.9
121.01649	3.0
121.03467	13.3
127.02303	1.1
128.49513	0.6
130.34044	0.5
131.01865	3.1
132.05063	1.1
133.03453	65.1
133.05157	5.6
133.10118	0.7
134.02818	4.1
134.04822	1.3
134.99666	3.5
137.02934	19.0
138.02998	1.9
139.02626	1.2
142.03571	0.7
145.03441	16.8
146.03572	0.7
148.03883	1.1
150.00656	0.6
151.04506	25.9
151.06250	2.7
152.05876	0.6
157.03467	4.4
157.05313	0.9
163.04523	7.4
171.01410	0.6
175.04518	100.0
175.06221	14.6
175.14775	0.7
176.02368	0.7
176.04637	4.0
176.05928	2.2
193.03854	0.9
193.05583	4.7
193.07375	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	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.05509	0.9
60.05653	1.1
60.51014	0.4
68.99770	0.8
69.07069	1.9
70.06593	2.8
70.67364	0.8
70.67699	0.7
75.94939	0.5
76.67075	0.5
79.05492	0.8
81.07050	2.4
91.05462	6.1
93.07058	0.8
95.08606	2.0
98.98453	6.4
103.05505	0.8
104.06261	1.0
105.03376	1.0
105.07030	6.4
115.05443	53.5
116.06229	3.5
116.07066	1.2
117.06999	12.8
119.04926	0.9
119.08575	10.9
128.06226	2.3
129.07019	4.2
130.06502	1.6
131.04890	3.7
131.08569	1.5
132.05690	10.2
133.06421	0.7
133.10112	26.7
134.10498	0.6
142.04102	1.0
143.04909	10.1
144.05685	14.2
145.06406	1.9
147.07993	5.2
147.11679	2.3
147.88670	0.5
155.06035	1.3
159.04338	0.7
160.05179	87.5
160.12465	0.7
161.05487	3.5
175.07518	100.0
175.14783	10.7
176.07822	3.2
176.15030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0752
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
53.03937	1.5
55.01862	44.7
55.05492	3.3
57.07057	2.1
60.05635	9.8
60.29065	1.1
65.03900	1.6
67.05475	1.6
69.03393	1.8
69.07051	2.1
70.06579	29.2
71.04949	1.5
72.08133	1.5
79.05470	3.0
80.45631	1.1
81.03372	2.4
81.07028	2.1
90.09168	1.5
91.05463	60.7
93.07021	2.3
95.04932	1.6
95.08604	1.4
98.98447	68.8
103.05436	3.7
104.06197	1.5
105.03374	1.2
105.07013	20.0
105.07669	0.8
107.04937	11.9
107.08562	2.7
115.05447	19.7
116.06216	4.1
116.07064	8.2
116.97205	2.1
116.98531	1.2
116.99456	1.7
117.06986	8.9
117.82278	1.1
119.04903	4.9
119.06039	1.2
119.08564	45.1
121.06477	1.9
128.05209	1.3
128.06190	22.3
129.06978	63.9
130.06483	2.8
130.07344	2.1
130.09735	2.9
131.04907	5.5
131.08533	22.6
132.05711	13.3
133.02797	2.3
133.04808	1.6
133.06480	16.3
133.10101	12.4
135.08070	2.2
142.07683	1.8
143.04860	3.4
144.05646	4.0
145.06479	10.7
146.05981	3.0
146.07248	2.2
147.04382	3.7
147.06302	17.2
147.08009	51.6
147.11678	9.0
148.08420	1.3
152.96837	1.4
155.06004	4.8
157.06448	22.8
157.07631	2.5
157.10139	1.3
158.09200	1.4
160.05164	39.7
160.08804	18.2
161.05646	1.3
175.07501	100.0
175.11060	38.8
175.13466	1.4
175.14713	11.0
175.93724	1.3
176.07970	2.0
176.11514	2.3
178.89470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02380	0.3
55.01863	0.5
55.05500	1.4
67.05493	0.9
68.99783	0.3
69.07054	2.3
69.72778	0.8
69.73123	0.3
77.03902	0.4
79.05478	1.4
79.77824	0.2
81.07041	2.5
81.27685	0.2
81.76486	0.3
83.08604	0.5
91.05464	6.6
93.07024	1.4
95.04957	0.4
95.08586	2.2
98.98449	15.4
103.05439	0.8
104.06214	1.3
105.03385	0.8
105.07014	7.0
107.04966	0.2
107.08569	1.2
115.05436	48.5
116.06343	2.1
116.97205	0.5
117.06998	11.1
118.06541	0.3
119.04945	0.6
119.08562	14.8
121.10117	0.3
127.48289	0.2
128.06189	2.7
129.06981	4.8
131.04898	3.1
131.08543	1.8
132.05687	9.4
133.06476	0.6
133.10109	12.4
142.04111	0.5
143.04900	9.2
144.05681	12.9
145.06476	1.7
145.10104	1.1
146.07237	0.5
147.08008	5.0
147.11673	2.8
155.06018	1.3
157.06409	0.4
157.10054	0.6
158.07251	0.3
159.04359	0.7
160.05168	79.9
160.12491	0.5
161.05595	2.5
174.06657	0.4
175.07510	100.0
175.14792	13.9
176.07910	3.0
176.15131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	75.9
65.03941	2.1
65.49226	1.4
69.03442	1.7
69.14264	10.4
70.06579	3.7
74.35738	1.6
79.05470	6.1
81.03404	3.4
84.74216	1.7
91.05474	73.3
98.22593	2.8
98.98455	97.8
103.05507	3.8
104.06216	1.7
105.03364	2.8
105.07033	19.8
107.04951	19.6
115.05437	17.2
116.06284	7.8
116.06976	2.6
116.29063	1.5
116.97208	5.7
116.98573	2.0
117.07000	12.0
118.03163	1.6
119.04926	2.2
119.08566	40.2
121.06445	1.7
128.06216	32.3
128.98332	1.6
129.06992	90.3
130.06491	6.0
130.07349	1.7
131.04910	5.7
131.08559	39.1
132.04468	1.7
132.05673	12.1
133.02798	3.5
133.06488	23.4
133.10120	6.4
145.06490	7.8
147.04375	5.3
147.08034	75.6
147.11665	2.1
155.05974	6.5
157.06476	34.7
157.07655	1.3
158.05978	2.6
160.05173	30.6
175.07513	100.0
175.11150	6.7
175.14795	4.8
175.98477	1.8
176.07936	2.4
194.56369	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
53.03943	2.0
55.01867	89.1
56.87241	1.4
70.06570	1.5
70.24228	3.3
79.05472	2.8
81.03395	5.7
91.05473	76.8
94.94194	1.5
98.98454	63.3
103.05440	4.5
105.07027	9.8
107.04934	10.3
115.05442	22.5
116.06220	6.8
116.15753	1.4
116.97197	5.4
116.98634	1.8
116.99433	1.5
117.07022	11.2
119.04894	3.7
119.08572	20.0
121.06506	2.1
127.20293	1.4
128.06204	28.8
129.06987	100.0
130.06451	1.9
130.07324	2.0
131.04915	7.9
131.08551	48.5
131.09554	2.3
132.05666	5.6
133.02818	3.5
133.06479	27.1
133.10088	5.6
143.04953	1.9
144.05673	3.4
145.06461	6.4
147.04352	6.3
147.08043	34.0
147.11710	2.3
152.96928	1.8
155.06003	6.3
157.06470	35.2
157.07668	2.9
160.05193	29.7
170.99541	1.3
175.07516	92.1
175.11060	3.4
175.14749	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	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.64613	1.3
52.55927	1.1
55.05505	2.5
57.03426	17.4
59.39257	1.1
67.05499	8.9
69.03418	1.8
69.07053	2.7
70.06573	2.9
73.74252	1.2
74.45295	1.0
79.05477	6.9
81.07037	4.5
84.18660	1.3
91.05463	16.6
92.90454	1.5
93.95639	1.2
95.04956	10.5
95.34779	1.1
98.23472	1.9
98.98450	78.4
103.05452	1.4
105.07011	22.9
107.04922	7.9
107.08530	1.5
115.05429	3.1
116.97214	1.8
116.99475	2.0
117.07047	5.9
119.08560	47.1
121.06487	3.9
129.06985	6.3
131.04863	3.5
131.08528	2.9
132.05658	1.5
133.06464	28.3
133.10114	10.9
135.08018	2.8
142.07762	9.0
145.06468	10.1
145.10127	1.7
146.07242	31.5
147.08023	60.5
147.11668	11.0
148.08392	2.0
151.93863	2.0
157.04344	1.7
157.07567	3.1
157.10095	8.6
160.08817	8.1
175.11150	100.0
175.14699	6.7
176.07045	1.6
176.11607	1.5
185.17093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
54.71814	0.4
56.90753	0.5
56.96548	2.5
60.05643	35.3
65.78284	0.5
69.03424	1.5
70.06584	100.0
71.04985	1.6
71.06948	0.6
72.08150	4.6
73.02917	0.6
84.08141	1.4
88.07650	0.5
97.02874	2.0
97.07624	0.6
98.06092	0.4
98.97569	2.3
98.98473	3.4
101.00867	1.5
103.02435	1.1
112.08712	3.8
114.10262	0.5
115.02410	1.0
115.08680	0.6
116.07079	24.1
116.98626	0.9
117.07422	0.5
119.01917	3.4
130.09750	13.0
131.05525	0.7
133.03474	2.9
137.02934	0.7
145.03479	0.7
149.06593	0.7
151.04510	0.8
157.10855	1.4
158.09241	6.6
161.02948	0.5
169.71313	0.5
175.02791	1.0
175.04506	4.7
175.11888	16.7
187.04523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.5
56.96558	1.1
60.05640	38.0
67.05494	0.7
70.06582	100.0
70.57170	0.6
71.04977	1.8
71.06911	1.2
72.08149	5.8
80.33514	0.5
84.08131	17.5
86.09689	0.4
97.07635	0.8
98.06045	0.7
98.97569	1.6
112.08724	4.7
113.07054	0.5
114.10264	0.5
115.08676	1.0
116.07073	28.9
116.63606	0.4
116.98557	0.4
117.07423	0.5
130.08621	5.6
130.09735	11.9
130.12254	1.7
132.02092	8.0
154.70998	0.5
157.10834	1.2
158.09221	8.4
158.11803	0.4
175.11882	23.9
175.14180	2.5
176.01079	1.4
179.93452	0.4
186.46931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.7
57.07068	1.0
60.04538	0.9
63.56571	0.8
67.05482	4.5
67.67900	0.8
68.80049	0.9
69.07057	16.4
78.11712	0.8
79.05476	3.6
80.68889	0.8
81.07041	15.3
82.65466	1.0
83.08611	5.5
91.05470	17.8
93.07005	6.1
95.08592	11.6
98.98457	31.9
103.05453	1.0
105.07015	33.8
106.07362	1.0
107.08575	7.1
115.05431	13.9
116.99519	0.9
117.06976	7.3
119.03652	3.4
119.08559	85.6
121.10115	1.8
122.84396	0.9
128.06157	1.5
129.06963	2.1
131.08540	7.4
132.05682	2.8
133.10107	100.0
134.10435	2.6
142.07753	1.1
143.04890	2.3
144.05664	4.0
145.10127	7.7
147.08022	2.7
147.11670	14.4
148.03844	1.9
157.10040	1.0
159.11632	0.9
160.05168	23.8
160.12469	5.0
165.04195	2.8
173.13290	2.1
175.07516	35.1
175.11130	4.0
175.14796	94.1
176.15128	2.3
193.03668	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
51.32460	0.9
53.03945	1.7
55.01862	3.3
55.05506	13.4
57.07062	0.8
66.77850	0.8
67.05500	4.7
67.82788	0.8
69.06700	1.3
69.07061	18.1
69.07432	1.0
69.19392	3.3
69.19803	1.1
77.03941	1.0
79.05482	5.5
81.07050	19.1
83.08609	3.7
91.04932	1.7
91.05473	19.1
93.07047	9.1
95.04956	0.9
95.08598	10.7
98.98462	4.2
103.05415	1.5
105.07024	57.2
106.07329	1.4
107.08587	10.9
109.10133	1.1
115.05436	1.6
117.07022	4.7
117.08263	1.0
119.08568	100.0
120.08906	1.4
121.10120	2.2
129.06966	1.5
130.21327	0.9
130.22455	0.9
131.08560	12.9
132.09381	1.2
133.10117	59.3
134.10434	1.4
145.10091	4.7
146.10844	3.9
147.11678	21.6
148.92964	0.8
160.05200	1.6
160.12502	1.8
173.13248	2.2
175.07549	3.6
175.14813	95.7
176.15125	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80753	0.6
53.03946	0.7
55.01863	0.9
55.05248	1.1
55.05503	11.4
57.07070	1.0
62.85390	0.6
67.05491	3.2
69.06702	1.3
69.07061	17.7
70.51703	1.5
75.96516	0.7
79.05479	5.3
81.07040	15.9
81.07489	1.1
83.08591	3.1
87.00805	0.7
91.05468	18.7
91.55283	0.8
93.07029	8.4
95.04953	1.4
95.08591	12.0
98.98457	11.1
103.05460	1.9
104.06232	1.2
105.07017	48.2
106.07333	0.6
107.08585	9.2
115.05438	23.4
116.06219	1.8
117.07018	7.5
118.06548	1.3
118.07745	0.7
119.08562	99.8
120.08883	1.4
121.10122	2.5
128.06180	1.8
129.06958	3.2
130.06496	3.5
131.04950	1.7
131.08539	10.0
132.05673	3.6
132.09334	1.0
133.10109	74.9
134.10439	1.4
135.11664	0.7
143.04904	4.4
144.05669	5.4
145.06412	0.7
145.08102	0.6
145.10127	6.7
146.10907	3.9
147.07988	2.3
147.11667	18.3
155.06041	0.8
157.06461	0.8
157.10085	0.7
160.05176	35.3
160.12431	2.3
161.05569	1.3
173.13216	2.7
175.07520	48.7
175.11172	2.6
175.14795	100.0
176.07909	1.1
176.15150	3.0
177.09843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03925	1.0
55.05504	8.4
59.96545	0.8
67.05491	2.7
69.07057	23.3
70.77924	1.2
79.05486	3.0
81.07059	6.1
83.08640	3.9
91.05470	10.0
93.07028	4.7
93.94143	0.8
95.04957	1.0
95.08598	6.3
98.98444	4.8
103.05441	1.0
105.07012	26.6
107.08576	6.9
115.05456	1.7
117.07001	3.7
119.08564	90.6
120.08894	1.7
121.10123	3.7
131.08524	5.3
131.09436	1.2
132.09311	1.3
133.10109	78.6
134.10474	1.6
145.10098	7.3
146.10852	1.4
147.11688	10.4
159.11690	1.3
160.05170	1.8
160.12427	5.6
173.13264	3.0
175.07559	1.6
175.14798	100.0
176.15134	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.82557	0.8
55.05491	2.6
60.05638	2.1
65.03918	1.6
67.05165	0.9
67.05502	15.1
69.07045	1.8
70.06573	3.6
75.32558	0.9
79.05040	1.4
79.05488	22.1
81.07048	31.2
91.05473	28.9
93.07039	33.0
95.04948	2.9
95.08598	27.0
95.09205	1.3
98.98458	22.2
101.95406	0.8
105.07025	25.4
107.08604	10.9
109.10127	3.5
116.07078	1.1
119.08575	24.6
121.10104	4.2
125.57444	0.8
128.52029	0.7
131.08556	1.9
133.10115	30.9
147.11674	14.3
157.04353	1.1
173.13298	2.6
175.08632	1.8
175.14804	100.0
176.15164	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26579	0.5
51.42489	0.5
53.03956	0.7
55.05253	0.9
55.05504	13.4
57.07059	1.0
67.05495	5.2
69.07059	16.9
69.65561	2.0
73.49460	0.5
77.03905	0.6
79.05482	5.8
79.12720	0.6
81.07048	17.7
83.08623	3.9
91.05467	19.4
93.07030	8.2
95.04957	1.4
95.08591	11.8
98.98444	9.4
103.05452	1.6
104.06229	0.9
105.07016	57.7
106.07356	1.4
107.07940	0.4
107.08580	11.0
109.10136	1.1
115.05402	2.6
117.06998	6.8
118.07788	0.9
119.08564	100.0
120.08878	1.7
121.10136	2.1
128.06320	0.6
129.06972	1.5
131.08546	11.8
132.09328	0.9
133.10110	69.3
134.10443	1.2
144.09401	0.6
145.10121	6.2
146.10898	5.3
147.08083	0.7
147.11665	19.9
160.05193	2.6
160.12462	2.3
171.89716	0.5
173.13223	2.0
175.07532	4.3
175.11197	1.7
175.14799	89.0
176.15158	2.5
182.72566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.9
60.05644	34.0
70.06585	100.0
71.04993	1.1
71.06293	0.8
71.06908	7.3
72.08143	4.3
84.08141	6.6
85.06545	0.8
87.04443	1.0
95.70922	0.6
97.07643	0.9
98.06036	2.2
98.97614	1.1
112.07585	1.1
112.08711	4.5
115.08684	0.7
116.07079	23.9
117.07441	2.5
119.01889	0.7
124.89099	0.7
130.08655	1.9
130.09740	12.1
130.12283	1.2
131.10159	0.8
132.02101	65.7
133.02596	0.6
140.60374	0.5
150.03180	1.1
157.10919	1.0
158.09265	7.1
159.09573	0.8
175.11885	17.8
176.01080	11.7
176.09119	1.0
176.12274	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	177.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18684	0.5
56.96556	15.9
62.15377	0.5
69.21411	1.9
69.21808	0.9
71.95256	0.9
87.13733	0.5
98.23448	0.8
98.97571	100.0
98.98420	5.1
99.97925	1.5
105.02222	0.7
116.98605	83.3
117.98960	1.1
118.96837	0.7
119.01914	1.2
121.01635	2.2
121.02885	0.6
131.01929	0.7
134.03015	0.6
134.04779	1.2
134.99640	46.0
135.03139	3.9
136.02678	0.6
136.50613	0.5
137.02957	0.6
137.63826	0.6
139.02698	0.8
140.00166	1.1
142.03471	0.6
149.02361	1.7
153.00681	6.4
153.04184	1.0
159.05101	0.6
176.05873	1.4
177.00826	3.8
177.04225	3.4
177.05588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03937	1.2
55.01863	1.9
55.05499	3.0
57.07062	0.4
63.02377	1.5
65.03929	0.9
67.05484	1.1
69.03417	7.6
69.07072	2.9
69.59109	0.9
69.59480	1.6
77.03924	1.3
78.04698	4.9
79.05099	0.5
79.05479	2.9
81.03407	1.6
81.07031	3.6
83.04967	1.8
89.03905	45.8
90.04224	1.0
91.05466	11.7
93.07034	24.9
94.07366	0.5
95.04953	5.1
95.08587	2.8
97.06518	0.7
98.98458	9.1
103.05460	3.3
105.03402	0.9
105.04494	1.9
105.07011	5.3
105.09196	0.5
106.04154	6.4
107.04905	1.7
107.08580	19.0
109.06492	1.4
109.10146	0.5
115.05441	1.7
116.98662	0.6
117.03362	77.9
117.06995	5.4
118.03698	1.5
119.04938	1.6
119.05972	0.5
119.08554	3.5
121.06486	7.3
121.10126	10.9
123.08044	0.6
124.05157	1.2
129.04497	0.8
129.06981	1.5
131.04900	1.8
131.08546	4.1
133.06508	0.9
133.10136	5.7
134.03613	10.5
134.10448	1.7
135.04404	5.0
135.08052	5.9
135.10779	0.5
135.11674	8.5
144.09346	2.2
145.02829	100.0
145.06494	2.8
146.03146	2.4
147.04401	0.7
149.02313	1.1
149.05957	30.0
149.09561	1.6
149.13220	5.1
151.50243	0.5
152.49045	0.4
159.04388	0.7
159.08040	1.1
159.11665	7.5
162.03090	3.4
162.06715	0.8
162.10439	0.5
163.03838	2.1
176.15167	0.6
177.05443	30.9
177.09053	12.8
177.10521	0.9
177.12714	13.5
177.16315	1.5
178.08484	0.6
186.05479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.37733	1.4
55.01869	2.5
55.05495	7.1
56.96548	1.7
65.03913	4.6
67.05476	7.3
69.07063	15.2
72.83678	1.5
77.03928	1.8
78.04707	22.3
79.05488	10.7
81.06619	2.0
81.07036	11.2
83.08617	10.2
89.03907	16.3
91.04937	2.5
91.05472	38.0
93.07038	34.5
95.04960	15.8
95.08604	22.8
98.97795	2.9
98.98458	45.3
103.05446	9.9
105.03352	3.4
105.04501	5.0
105.07003	10.6
106.04166	77.9
107.04956	3.4
107.08582	44.2
109.06489	2.6
109.10144	9.4
111.61935	1.8
115.05435	6.0
116.06208	4.7
116.98587	4.4
116.99491	2.2
117.03358	20.9
117.07007	12.0
119.04895	4.3
119.08538	3.9
120.08891	3.2
121.02837	2.2
121.06499	33.4
121.10134	60.7
131.04958	3.2
131.08551	4.4
132.08012	1.7
133.06454	2.6
133.10098	2.1
134.03622	9.1
134.07216	3.0
135.04366	4.6
135.08046	6.1
135.11685	12.1
144.05635	2.3
145.02829	25.4
145.06491	2.7
149.02295	5.6
149.05971	41.5
149.07138	1.7
149.09575	3.2
149.13194	3.1
159.07945	2.1
159.09116	2.0
159.11674	4.3
162.03104	5.8
162.05435	5.8
162.06734	15.6
162.19087	1.6
163.03845	4.9
177.05417	32.3
177.06468	2.5
177.09062	100.0
177.12711	6.8
177.16370	32.0
178.04939	1.9
178.08496	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.05501	6.2
63.02357	2.3
67.05485	3.4
69.07057	15.8
70.91169	1.5
78.04686	4.0
79.05478	8.2
79.81483	0.9
81.07048	8.3
83.08604	10.7
89.03905	46.9
90.04259	0.8
91.05469	10.0
93.07033	19.6
95.04980	1.9
95.08023	1.6
95.08598	24.2
97.10136	1.7
98.22787	1.5
98.98446	3.7
103.05469	1.9
105.04512	1.3
105.06994	4.8
106.04158	4.7
107.08582	42.0
109.06490	2.2
109.10145	9.6
116.06240	1.0
117.03362	78.4
117.06974	4.6
117.30518	1.1
118.03675	1.0
119.04938	1.1
119.08564	1.4
121.06465	2.3
121.10126	64.4
131.04955	1.0
134.03621	9.7
135.04398	5.1
135.08052	1.1
135.11676	9.7
145.02831	100.0
146.03107	1.3
149.05959	29.2
149.13235	3.4
161.05981	1.0
162.03105	2.3
162.06712	5.1
163.03882	1.6
177.05464	20.8
177.09081	32.5
177.16354	29.5
178.09464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
55.05499	0.3
56.96546	0.3
65.03919	0.4
67.05476	0.2
69.03404	0.3
69.07044	0.4
70.71755	0.2
70.72114	0.4
78.04700	0.8
79.05476	0.9
80.04991	0.2
81.07022	0.5
83.08620	0.2
88.02202	0.2
89.03901	4.1
91.05463	4.3
93.07025	1.7
95.04950	0.7
95.08561	0.6
98.97788	0.4
98.98447	5.3
103.05432	0.9
105.03371	0.3
105.07019	1.1
106.04160	2.1
106.07791	0.5
107.04936	0.3
107.08582	1.0
109.06495	0.3
115.05434	3.3
116.06223	2.6
117.03365	6.9
117.07005	10.6
118.03703	0.2
119.04920	1.4
119.08596	0.3
121.06483	2.8
121.10121	1.5
129.07011	0.3
131.04909	0.4
131.08562	0.7
133.06468	2.7
134.03613	1.4
134.07265	3.6
135.03220	1.0
135.04388	0.9
135.08051	1.8
135.11650	0.3
144.05679	2.2
145.02823	8.7
145.06473	1.9
146.07286	0.3
147.04346	0.8
147.08012	0.3
149.02321	0.5
149.05959	5.1
149.07149	0.3
149.09592	0.7
159.07974	0.5
159.11618	0.4
161.05933	0.8
162.03094	1.2
162.06735	12.3
163.02628	3.8
163.03882	0.5
175.07526	0.5
177.05640	5.3
177.09074	100.0
177.16318	0.6
178.04939	5.2
178.09499	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	5,6,7,8-tetrahydro-2-Naphthoic Acid
Peak:m/z	Relative Intensity
55.01845	0.3
69.07050	0.5
69.41810	0.4
69.42221	1.0
78.04710	0.3
79.05492	0.7
81.07040	0.4
89.03907	0.6
91.05468	4.0
93.07026	0.9
95.04945	0.3
95.08605	0.6
98.23445	0.6
98.98451	1.4
103.05466	0.7
105.07018	1.1
106.04144	1.1
106.07789	0.4
107.08572	0.7
115.05438	3.7
116.06219	3.2
117.03359	1.0
117.07008	11.3
119.04922	1.6
119.08504	0.4
121.06510	1.9
121.10126	1.8
129.06979	0.3
131.05005	0.3
132.60811	0.3
133.06494	2.3
134.07256	3.6
135.08073	1.5
144.05670	2.0
145.02814	1.0
145.06490	1.8
147.04387	0.6
149.05962	1.5
149.09613	1.0
159.08076	0.3
159.11678	0.3
161.05966	1.3
162.03171	0.3
162.06746	13.3
163.07188	0.4
175.07469	0.5
177.09084	100.0
177.16379	0.8
178.09431	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
50.97845	0.5
51.02374	0.6
53.03925	0.8
55.01865	4.5
55.05497	3.4
56.96547	2.3
58.19737	0.6
65.03913	1.4
67.05495	4.7
68.99783	6.7
69.03414	1.3
77.03912	1.1
78.04684	0.8
79.05473	3.7
80.05007	0.7
81.03423	0.7
81.07038	2.1
85.06523	0.6
89.02979	0.5
89.03904	7.9
91.05466	8.2
93.07033	7.6
95.04962	3.2
95.08609	1.5
98.97563	6.9
98.98441	17.3
98.99086	1.2
103.05438	2.1
105.04494	1.0
105.07018	3.1
106.04138	1.4
107.04938	51.4
107.08572	5.9
109.02858	1.2
109.06473	0.9
109.10157	3.8
115.05418	1.4
116.06210	0.9
116.98598	6.4
116.99332	1.1
117.03349	7.9
117.07015	2.9
118.96705	1.4
119.04902	1.1
119.08560	0.9
121.02844	1.2
121.06488	15.0
121.10116	2.5
123.04404	14.1
129.06987	1.4
131.04887	2.2
131.06934	3.2
131.08528	10.3
133.06422	0.8
133.10124	1.0
134.03619	2.7
134.09616	6.2
134.99654	5.0
135.04388	10.7
135.08012	3.5
135.11699	1.0
137.05933	1.5
141.06984	1.2
144.05679	2.3
145.02823	7.7
147.04373	3.3
148.05182	8.0
149.02278	3.1
149.05965	25.6
149.09593	13.0
149.62466	0.6
150.06303	0.6
153.93672	0.6
154.96492	0.7
159.08047	6.7
159.11633	2.2
161.05936	1.3
162.03108	1.1
162.06735	10.6
163.03854	2.3
175.07529	1.2
177.05540	6.8
177.09070	100.0
177.12560	2.4
177.16205	1.0
177.98103	0.6
178.04982	0.8
178.09438	1.9
178.12222	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	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
55.01854	0.5
55.05496	0.7
56.96545	0.7
62.84533	0.3
65.03931	0.4
67.05487	0.5
69.07071	1.5
77.03912	0.4
78.04690	1.2
79.05467	1.6
81.07067	1.6
83.08598	0.6
88.02195	0.3
89.03899	3.0
91.04930	0.6
91.05466	7.0
93.07037	3.8
95.04977	1.4
95.08595	2.5
98.97530	0.4
98.97778	0.4
98.98456	7.7
103.05449	1.6
105.03384	0.5
105.04498	0.4
105.07022	1.7
105.88789	0.3
106.04168	3.9
106.07794	0.5
107.04936	0.7
107.08032	0.3
107.08595	3.6
109.06485	0.5
109.10131	0.7
115.05440	4.3
116.06238	3.4
117.03366	4.1
117.07010	12.6
118.07315	0.3
118.96735	0.7
119.04933	1.9
119.08563	1.3
121.06496	5.1
121.10115	4.7
122.06842	0.4
129.07008	0.7
131.04897	0.3
131.08530	1.1
132.04491	0.3
132.08031	0.4
133.06476	3.2
133.10095	0.5
134.03604	2.0
134.07257	3.8
135.04404	0.7
135.08037	1.7
135.11671	1.1
139.36331	0.3
144.05659	2.5
145.02841	4.3
145.06483	2.7
147.04350	0.8
147.07994	0.4
149.02310	0.9
149.05968	5.2
149.07042	0.3
149.09584	1.4
149.13287	0.7
159.08012	0.5
159.11667	1.1
161.05975	1.0
162.03128	3.2
162.05374	0.7
162.06741	14.0
175.07582	0.4
177.05559	9.1
177.09079	100.0
177.12256	1.9
177.16331	2.2
178.09576	2.3
190.95354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67721	0.3
55.01861	0.4
55.05495	0.6
65.03929	0.4
66.09709	0.3
67.05505	0.7
69.07058	1.5
69.14355	1.4
69.14764	0.6
75.15012	0.3
77.03926	0.5
78.04710	1.1
79.05482	2.2
80.05013	0.6
81.07053	1.6
83.08628	0.6
89.03896	1.5
91.05466	6.7
93.07042	3.2
95.04970	1.5
95.08596	2.6
98.23488	0.6
98.98458	6.8
103.05467	2.0
105.04477	0.6
105.06995	1.8
106.04173	2.9
106.07802	0.7
107.04958	0.4
107.08582	3.6
107.15167	0.3
109.10066	0.7
115.05415	3.8
116.06227	3.9
117.03368	2.0
117.07009	13.1
118.07439	0.3
119.04922	2.0
119.08573	0.8
120.05680	0.3
121.06493	3.1
121.10133	4.6
124.38148	0.3
129.06964	0.4
131.04924	0.7
131.08554	1.1
132.08078	0.4
133.06491	3.2
133.10139	0.4
134.03603	1.0
134.07259	4.9
135.04396	0.7
135.08049	2.2
135.11711	1.0
144.05687	2.1
145.02824	2.4
145.06477	2.3
147.04369	1.0
147.08023	0.6
149.02313	0.8
149.06003	2.8
149.07057	0.6
149.09610	1.1
159.05586	0.3
159.07997	0.6
159.09247	0.4
159.11656	0.4
161.05977	1.3
162.03102	1.4
162.06738	14.9
163.03940	0.3
175.07547	0.4
177.05666	4.4
177.09079	100.0
177.16277	2.5
178.09503	3.5
178.43849	0.3
195.20560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.19803	0.6
53.03926	2.0
54.99520	0.7
55.01868	4.9
55.05503	4.9
56.13129	0.6
57.03429	1.8
65.03912	1.2
67.05492	21.9
69.03416	1.5
69.07059	7.8
71.04999	1.2
71.44231	0.8
77.03900	1.0
79.05478	32.3
79.60876	0.7
80.04999	1.4
81.03412	5.0
81.07042	33.7
83.04981	4.7
83.08595	4.0
85.06515	0.7
88.02214	1.0
89.03889	1.5
91.05465	33.4
93.07029	48.0
95.04952	11.2
95.08587	9.9
97.06510	8.4
98.98451	15.8
99.08066	1.0
103.05461	0.9
105.04491	1.6
105.07010	19.5
105.60757	0.6
107.04932	2.5
107.08572	20.9
108.08949	0.6
109.06520	4.9
109.10158	1.8
111.08058	3.9
115.05452	2.0
117.03346	0.8
117.06998	23.6
118.96732	0.8
119.08559	6.6
121.06486	4.0
121.10125	13.8
123.07998	1.1
129.06984	1.9
130.07727	1.3
131.04805	0.6
131.08542	26.5
133.06511	1.1
133.10106	32.3
134.10422	0.9
134.37579	0.6
135.08049	10.4
135.10745	1.1
135.11673	10.8
144.09303	1.5
145.02812	0.9
147.11632	0.9
149.02278	1.8
149.09610	3.5
149.13222	13.1
153.93736	1.0
157.10161	0.9
159.11664	43.3
160.12047	1.0
165.11861	0.8
177.05379	0.9
177.10194	3.5
177.12712	100.0
177.16203	2.8
178.05006	0.9
178.08600	1.9
178.13033	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
54.75233	0.8
55.01870	4.9
55.05495	4.5
56.96545	1.1
57.03423	1.5
65.03919	1.4
67.05155	1.4
67.05499	22.4
69.03385	1.0
69.07069	5.5
71.04973	1.0
71.28857	1.2
71.67515	0.8
77.03903	1.3
78.04725	0.9
79.05482	34.2
81.03423	4.8
81.06567	1.2
81.07050	34.8
83.04987	3.9
83.08601	2.7
85.06519	2.3
91.05468	35.8
93.07035	46.6
94.07388	1.2
95.04951	11.8
95.08598	7.8
97.06516	9.0
98.98455	12.0
103.05431	1.2
105.04512	2.0
105.07021	17.7
106.04165	2.3
107.04940	2.8
107.08581	18.3
107.61499	0.7
109.06512	6.1
109.10120	0.9
111.08077	3.9
115.05411	1.9
117.03387	1.3
117.07006	22.2
119.08567	6.3
121.06493	5.5
121.10125	9.1
123.08066	0.9
125.20071	0.8
129.06987	1.9
130.07770	1.6
131.08546	27.2
132.08963	1.1
133.10107	32.1
134.03571	0.7
134.10458	1.2
135.08040	9.1
135.11679	10.1
136.11966	0.8
144.09293	3.0
145.02812	1.0
149.02298	1.8
149.05981	1.6
149.09584	4.1
149.13257	16.1
157.10071	1.0
159.11676	42.1
160.12065	1.5
163.67255	1.2
177.05371	2.0
177.10190	3.7
177.12723	100.0
178.06990	1.1
178.08545	1.4
178.13104	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01857	6.4
55.05503	24.6
56.96547	4.0
57.03424	6.3
57.07061	4.1
65.03919	2.2
67.05495	21.2
67.90341	1.8
69.03416	7.3
69.06699	2.7
69.07059	36.5
70.66016	3.6
71.04963	4.4
73.58536	1.4
77.03878	2.4
79.05040	3.1
79.05484	59.4
80.05013	2.7
81.07046	43.8
83.04954	5.2
83.08610	11.6
91.05469	49.7
91.06036	2.6
93.07030	100.0
95.04956	18.0
95.08595	21.2
97.06545	2.9
98.98453	34.3
103.05458	2.1
105.04482	5.3
105.06345	2.6
105.07008	38.7
107.04945	12.7
107.08579	62.6
109.05906	1.9
109.06523	15.3
109.10159	2.2
115.05446	5.1
116.06247	1.8
117.03335	2.3
117.07000	41.1
119.08564	24.5
121.06486	19.8
121.10130	23.3
121.17450	1.6
122.07262	1.9
123.08034	2.4
129.07024	9.3
129.07819	2.0
130.07768	7.1
131.03664	1.7
131.08545	44.0
133.06450	2.1
133.10118	13.5
135.08018	18.5
135.11691	12.4
144.09279	12.0
144.12306	1.8
145.02795	2.7
147.08011	3.0
147.11659	2.8
148.08798	2.4
149.02296	2.2
149.07050	1.8
149.09569	6.0
149.13235	19.6
159.08018	2.4
159.09213	2.0
159.11671	39.8
177.06601	3.4
177.08910	2.8
177.10384	10.0
177.12708	69.0
177.16278	4.0
178.04974	3.6
178.08604	5.3
190.64705	1.9
190.95326	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03940	1.7
53.96528	0.7
55.01865	6.1
55.05505	5.9
56.96536	1.4
57.03414	1.2
65.03938	1.6
67.05494	23.8
68.96461	0.6
69.03398	2.1
69.07058	10.9
71.04953	0.8
77.03899	1.3
78.04705	1.2
79.05482	38.9
80.04990	0.9
81.03397	1.7
81.07046	47.4
83.04984	5.5
83.08610	6.4
85.06521	1.8
88.02199	1.2
89.03900	3.5
91.05466	41.2
93.07031	65.3
94.07330	0.9
95.04961	10.4
95.08012	1.4
95.08591	15.8
97.06522	9.2
98.98455	19.7
99.08082	1.9
99.27175	0.6
103.05442	2.4
105.04496	2.5
105.07013	23.1
106.04140	3.4
106.07368	1.2
107.04926	2.3
107.08580	32.9
109.06490	5.7
109.10149	3.2
111.08033	2.0
115.05408	2.1
116.06244	1.1
117.03358	5.4
117.07001	25.8
118.07828	0.8
118.96760	0.8
119.08585	6.6
121.06488	6.3
121.10129	27.2
123.08019	1.0
129.06964	1.9
131.08543	33.3
132.07965	0.7
133.10107	47.5
134.03590	1.0
134.10422	1.2
135.04425	1.1
135.08052	9.8
135.11678	16.1
136.08459	0.7
144.05634	0.9
144.09314	2.6
145.02837	5.5
147.11642	1.4
149.02315	2.4
149.05946	6.6
149.09624	5.9
149.13239	18.9
157.10141	1.0
159.07986	1.2
159.11670	47.7
160.12079	1.5
162.03020	1.4
162.06779	1.1
177.05403	5.2
177.09059	8.1
177.10249	2.7
177.12715	100.0
177.16217	9.2
178.05023	0.8
178.07050	0.6
178.08626	2.1
178.13078	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.17192	1.5
53.03932	2.4
55.05500	14.4
55.69648	1.2
57.07065	2.8
63.78837	1.3
64.35106	1.4
67.05493	44.5
69.07058	10.6
79.05483	67.6
81.06564	2.0
81.07048	39.4
83.04952	1.2
83.08601	6.7
86.09317	1.6
86.99259	1.2
91.05469	17.8
93.07031	83.9
95.04945	6.3
95.08596	52.1
97.10141	3.2
98.98460	8.8
105.07014	8.0
107.08576	40.4
109.06494	3.8
109.10150	16.7
111.89672	1.5
117.06992	4.8
119.08556	2.6
121.10129	100.0
124.63826	1.3
131.08543	4.8
132.08060	1.5
133.10110	7.6
135.11674	41.1
136.31537	1.3
149.07178	1.6
149.13242	7.2
159.11635	8.7
177.06606	2.5
177.10194	4.6
177.12726	19.3
177.16362	51.4
178.08543	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	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.65273	0.6
55.05505	11.9
57.07067	2.5
67.05509	5.2
69.07059	25.5
69.89305	1.6
71.08628	2.3
72.51781	0.7
79.05483	14.6
81.07049	18.7
83.08614	14.7
89.03918	3.5
91.05466	10.6
93.07038	35.7
94.07373	1.3
95.04955	2.4
95.08595	37.5
97.10143	3.1
98.22774	1.1
98.98450	5.1
103.02383	0.9
103.05452	1.0
105.07023	9.0
106.04173	1.2
107.04945	1.1
107.08582	72.5
108.08856	0.7
109.06512	2.8
109.10150	13.4
117.03387	6.6
117.07005	2.2
117.95294	0.7
119.08572	3.8
121.06496	2.6
121.10130	100.0
122.10438	1.7
131.04921	0.8
131.08574	3.1
133.10095	1.6
134.03632	2.3
135.04384	1.3
135.08028	1.8
135.11682	16.9
136.12123	0.7
142.28543	0.7
145.02827	5.1
145.06470	1.5
149.05972	7.2
149.13248	5.7
159.07993	0.8
159.11679	2.0
160.07567	2.0
162.03117	1.7
172.07965	0.6
177.05431	6.2
177.09122	6.0
177.12946	3.5
177.16364	57.9
178.08603	0.9
178.16692	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.6
57.07068	2.4
60.70610	0.6
61.90173	0.7
65.03921	0.8
65.56281	0.9
67.05499	7.7
67.21835	0.6
69.03410	0.9
69.07062	25.0
70.75864	0.9
71.08629	1.1
77.03908	1.6
78.04708	1.7
79.05482	17.2
81.07050	13.1
83.04980	0.8
83.08609	15.5
89.03905	3.2
91.05467	14.8
93.07033	39.3
94.07329	0.8
95.04969	3.1
95.08595	28.6
97.10163	2.7
98.98460	6.2
103.05450	2.0
105.07013	12.8
106.04173	2.7
106.07833	0.8
107.08581	69.9
108.08897	1.1
109.06525	2.2
109.10147	11.3
117.03373	4.3
117.07008	3.6
119.06042	1.3
119.08545	5.3
120.09396	0.7
121.06486	3.0
121.10130	100.0
122.10378	1.0
123.08046	1.1
123.11700	1.2
131.04929	1.1
131.08560	4.4
133.07600	1.3
133.10106	4.1
134.03603	1.7
135.08095	1.3
135.11676	30.3
144.09311	0.9
145.02846	5.1
149.05994	4.5
149.09599	2.1
149.13245	8.5
159.07976	0.9
159.11650	3.8
162.03055	0.9
162.06779	1.3
163.03929	0.7
177.05423	5.3
177.09058	10.2
177.12764	8.4
177.16362	48.9
178.16811	1.2
186.14038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03938	0.8
55.01872	0.4
55.05505	10.3
57.07071	1.6
64.45588	0.3
65.03931	0.7
67.05494	5.4
69.07059	24.3
71.08624	0.6
77.03925	0.6
78.04679	0.5
79.05482	12.5
81.07047	15.9
83.08608	14.8
89.03902	2.9
91.05464	9.3
93.07032	30.1
94.07362	0.4
95.04960	2.0
95.08594	38.9
96.08920	0.7
97.10143	3.0
98.97566	0.6
98.98460	5.3
103.05459	1.2
105.03423	0.4
105.04521	0.6
105.07018	8.3
106.04168	1.6
106.07800	0.6
107.08580	67.9
108.08907	1.3
109.06509	1.5
109.10144	13.3
109.10888	0.7
117.03376	5.2
117.07011	1.5
119.06057	0.7
119.08534	2.5
121.06487	1.3
121.10128	100.0
122.10385	1.7
123.08122	0.8
123.11711	0.6
131.08583	1.4
133.06436	0.5
133.07579	0.6
133.10138	1.0
134.03676	0.7
135.04427	0.8
135.08032	0.4
135.11676	17.1
145.02829	6.7
149.02318	0.6
149.05959	5.2
149.13232	7.1
160.03941	0.3
162.03120	1.2
162.06757	1.0
176.89351	0.3
177.05403	4.5
177.06665	0.4
177.09038	6.8
177.10298	0.9
177.12852	1.4
177.16357	59.7
178.08540	0.6
178.16698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
53.03939	0.8
53.90332	0.4
55.01865	0.5
55.05504	10.9
55.51357	0.4
57.07061	1.5
65.03944	0.9
67.05494	6.1
69.07059	23.9
71.08607	0.6
77.03920	0.6
78.04710	1.5
79.05486	13.7
81.07047	14.1
83.08608	14.6
84.08914	0.5
89.03902	9.8
91.05462	11.6
93.07033	32.0
94.07347	0.6
95.04977	2.4
95.08594	39.6
96.08924	0.7
97.10143	2.4
98.22632	0.9
98.98456	7.0
103.05441	2.1
105.04488	1.1
105.07020	7.0
106.04164	4.3
106.07846	0.8
107.08577	66.4
108.08922	1.1
109.06505	1.2
109.10136	12.0
115.05469	2.2
116.06223	0.8
117.03362	16.1
117.07013	6.2
118.03654	0.7
119.04903	0.8
119.06005	1.0
119.08562	2.4
121.02923	0.4
121.06529	4.2
121.10126	100.0
122.10419	1.3
123.08060	1.1
123.11679	0.6
131.04866	0.6
131.08546	1.4
133.06462	1.2
133.07527	0.8
133.10114	1.6
134.03612	3.4
134.07207	0.9
135.04417	2.0
135.08029	0.5
135.11679	17.2
144.05663	0.7
145.02823	21.3
145.06445	2.8
146.03139	0.5
146.90556	0.4
147.04385	0.6
149.02306	0.6
149.05977	9.2
149.09581	1.3
149.13213	5.9
159.07980	1.0
162.03084	2.5
162.06740	3.8
163.03864	0.8
164.81450	0.5
177.05460	10.7
177.09071	30.0
177.12881	1.4
177.16356	53.5
178.09499	1.1
178.16666	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05250	0.8
55.05504	10.7
57.07067	1.8
65.03935	0.5
67.05499	5.1
69.07059	24.2
70.57915	0.5
70.58250	0.8
71.08620	0.5
77.03933	1.0
78.04706	1.0
79.05481	11.6
81.07046	13.4
83.08609	13.1
83.54181	0.4
89.03895	6.3
90.04201	0.5
91.05465	8.2
93.07030	30.2
95.04961	2.0
95.08591	37.4
97.10158	2.9
98.97647	0.4
98.97849	0.5
98.98450	3.4
103.05428	1.0
103.80318	0.5
105.04523	1.0
105.07007	6.9
106.04160	1.9
107.08579	64.3
108.08910	1.2
109.06503	1.4
109.10139	12.5
117.03365	12.0
117.06947	0.6
119.06022	1.0
119.08543	2.1
121.06482	1.5
121.10126	100.0
122.10470	1.7
123.08096	0.7
123.11724	0.6
123.86843	0.4
131.08568	0.7
133.07625	1.1
133.10139	0.6
134.03584	1.7
134.88574	0.4
135.03154	1.2
135.04399	1.1
135.11673	16.4
145.02823	14.8
146.03214	0.6
149.05956	5.0
149.13245	5.4
162.03082	0.7
163.02640	4.5
177.05443	6.2
177.08971	2.3
177.10349	0.7
177.16359	55.4
178.04953	5.5
178.06384	0.6
178.16693	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0861
Annotation	Methyl indoline-6-carboxylate
Peak:m/z	Relative Intensity
55.01868	1.9
64.42697	0.3
65.03924	0.4
67.05497	0.6
69.78621	0.9
74.98983	0.3
77.03912	0.5
79.05468	0.5
80.04995	0.7
81.07038	0.4
82.21880	0.3
85.02888	2.2
89.03902	0.6
90.04203	0.3
91.05473	2.7
94.04221	0.7
94.06556	11.5
95.04946	0.7
96.04453	0.7
104.04961	0.4
105.03371	1.4
105.05757	0.3
106.06542	0.7
107.04966	0.3
107.07311	0.7
109.06479	2.9
116.04943	0.9
116.78181	0.3
117.05735	2.0
118.03657	0.6
118.06533	6.0
118.96735	0.5
119.04924	2.5
119.07294	0.6
120.04428	1.1
120.08073	1.4
121.06483	0.5
123.04402	1.5
124.03924	1.3
130.02859	0.9
131.03703	1.7
132.04431	32.3
133.02838	0.9
133.04759	0.8
133.10023	0.4
134.05991	2.0
135.06801	2.6
137.05959	4.0
143.02693	0.4
146.03172	0.8
146.05989	6.1
147.04376	1.3
147.06775	17.6
148.03922	11.0
148.07378	0.8
150.09074	1.6
151.03922	0.4
161.02272	0.4
162.05478	37.9
163.06261	22.7
163.07692	0.5
164.06947	1.3
177.07848	0.7
177.98012	0.4
178.08597	100.0
179.03371	2.8
179.06815	0.4
179.08934	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	178.1225
Annotation	Valerianine
Peak:m/z	Relative Intensity
56.96548	0.4
69.60300	0.3
69.88326	1.1
74.05386	0.4
80.04997	0.6
88.42191	0.4
91.05465	0.7
91.47583	0.3
93.07050	0.4
105.07050	0.6
107.08581	0.5
115.05441	0.5
117.06991	1.3
118.06535	9.6
118.96800	0.5
119.07317	9.9
132.08069	1.0
134.09636	62.9
135.09993	1.6
154.96327	0.4
160.11208	1.0
162.09163	1.8
163.09901	0.9
172.94281	0.3
178.05061	0.8
178.12242	100.0
179.12640	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	179.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73362	0.3
52.75454	0.2
53.03943	0.3
55.01876	0.4
62.53492	0.2
65.03918	0.3
67.05499	1.8
68.99779	0.3
69.03418	0.3
69.35302	0.2
69.40813	1.3
73.02909	0.4
73.06531	0.3
77.03918	1.3
79.05477	1.1
81.03431	0.3
81.07040	0.6
83.04987	0.4
85.02895	0.5
88.92562	0.3
89.03913	1.9
91.05463	2.0
93.07031	1.1
95.04949	2.6
95.08588	0.7
103.05434	0.4
105.03380	3.9
105.04459	0.4
105.07024	1.9
107.04934	0.5
107.08566	0.5
109.02850	0.6
109.06483	0.7
109.10133	0.4
117.03324	1.6
119.04922	1.0
119.08581	1.8
120.08106	3.8
121.06497	1.0
123.04415	42.8
124.04720	0.6
132.04454	0.7
133.02835	28.9
133.10135	1.5
134.03238	0.6
134.09676	1.4
135.04398	4.4
135.10002	0.5
137.05959	0.8
137.09628	0.8
140.16002	0.3
147.04381	0.8
148.03903	0.3
148.07114	0.6
149.04266	0.4
151.03886	10.0
151.07507	0.6
161.02449	0.4
161.05981	0.5
161.09573	0.8
161.13220	0.3
162.05498	1.2
163.05852	1.6
164.06607	0.7
178.08557	0.3
178.12175	1.4
179.03368	100.0
179.08925	4.6
179.10637	1.6
179.14206	0.7
180.03734	2.7
180.06503	0.4
192.36185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0337
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02374	0.5
53.03938	0.4
53.45206	0.3
53.68451	0.3
55.01867	0.8
55.05500	0.4
57.25454	0.3
59.04978	0.3
59.77542	0.2
61.02929	0.4
65.03912	0.3
67.05496	2.3
67.78692	0.3
68.99777	0.4
69.03423	0.7
77.03905	2.0
79.05484	1.8
81.03396	0.9
81.07046	0.8
85.02888	0.9
89.03900	2.6
91.05460	2.4
91.07136	0.3
93.07030	0.8
95.04950	4.8
95.08605	0.7
97.02866	0.4
99.49712	0.3
103.05429	0.3
105.03381	6.1
105.04482	0.6
105.07010	4.3
107.04926	2.5
107.08569	0.8
109.02864	0.7
109.06497	0.6
109.10114	0.5
115.05426	1.9
117.03363	1.1
117.07020	0.5
119.04926	1.6
119.05708	0.2
119.08553	1.1
121.06493	0.8
121.08862	0.2
121.10092	0.4
123.04406	44.9
123.08035	0.7
124.04740	0.9
133.02826	36.6
133.06471	1.2
133.07472	0.4
133.10112	2.1
134.03171	1.0
134.09627	0.7
135.04388	4.6
137.05945	3.3
137.09604	0.4
147.04408	2.3
148.03862	0.4
151.02644	0.6
151.03877	11.7
151.07497	1.1
151.11171	0.3
152.01631	0.7
161.02338	1.6
161.05891	1.8
161.07120	0.3
161.09584	1.0
161.13271	0.3
163.03726	0.3
164.04094	0.3
171.82185	0.3
174.30319	0.3
178.12189	1.5
179.03357	100.0
179.10628	1.0
179.14186	0.6
180.01106	0.6
180.03691	2.0
180.06470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03953	1.5
55.01862	13.7
55.05500	5.9
57.03430	1.6
57.07062	1.3
59.04991	1.3
64.05341	0.4
65.03938	1.4
65.99617	0.4
67.05492	9.1
69.03419	6.3
69.07059	4.0
71.05000	0.7
73.02917	0.5
77.03918	1.5
79.05480	12.5
81.07041	41.0
82.07389	0.7
83.04968	5.2
83.08620	1.3
85.02892	0.8
85.06561	0.6
89.03889	1.2
91.05467	17.5
92.05819	0.7
93.07030	12.3
93.07602	0.9
94.06589	0.5
94.07349	0.5
95.04950	7.1
95.08589	13.8
97.02867	0.5
97.06514	1.4
97.10118	0.6
99.45972	0.4
103.05456	1.2
103.50692	0.4
105.03386	3.1
105.04517	0.7
105.07014	32.2
106.07343	0.8
107.04954	1.2
107.08575	13.6
108.71704	0.5
109.06499	20.2
109.10130	13.5
111.04433	1.9
111.08056	1.2
111.68315	0.5
115.05459	1.4
117.03379	0.7
117.06980	2.8
118.07771	1.1
119.04932	7.1
119.05761	0.8
119.08562	10.8
120.04419	0.8
121.02870	0.5
121.06520	2.9
121.10139	4.8
122.07311	0.6
123.04417	8.0
123.08057	8.3
123.11690	2.7
125.05973	1.7
128.06192	1.7
131.08582	2.9
133.02823	7.8
133.06526	2.4
133.10104	32.0
134.06058	0.5
134.10452	0.5
135.04399	1.7
135.08028	0.7
135.11664	3.6
136.05180	0.9
136.08847	0.7
136.11189	0.5
137.05951	100.0
137.09579	15.4
137.13228	1.0
138.06293	1.4
143.08542	3.5
145.03915	0.6
145.06416	0.8
146.07227	1.6
147.03316	0.4
147.04379	10.4
148.03900	3.8
151.03883	1.9
151.07513	1.7
151.11166	3.0
151.14813	2.9
161.02206	0.5
161.05960	2.2
161.09592	19.9
161.13220	2.7
172.70149	0.4
179.03371	21.1
179.07019	3.9
179.10625	29.2
179.14230	12.6
179.15472	0.5
180.03772	0.8
180.06488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03939	2.0
55.01859	3.2
55.05501	10.9
57.03434	7.8
67.05161	2.6
67.05496	43.1
69.03399	2.9
69.07066	9.0
71.04961	4.4
71.27406	1.9
79.05482	25.4
81.07044	100.0
82.07359	2.2
83.04977	9.2
83.08607	2.8
85.06538	8.3
91.05470	29.2
93.07033	38.2
95.04942	4.3
95.08595	76.5
97.06514	20.2
99.08102	7.9
105.07016	40.8
107.08579	21.9
109.06506	4.3
109.10136	5.8
111.08033	6.0
113.09610	1.7
119.07743	3.3
119.08562	60.8
121.10134	16.2
123.08013	9.0
125.12096	1.6
133.10107	34.2
135.11667	34.5
137.09587	4.6
137.13245	3.1
146.65649	1.8
151.11142	2.5
161.13235	89.8
179.03482	1.8
179.14278	93.3
180.14554	3.8
190.13620	1.7
194.90811	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03921	1.5
53.13250	0.9
55.01871	4.7
55.02094	0.9
55.05504	8.8
57.03428	7.5
57.07049	2.5
59.04973	1.1
61.52176	1.0
65.03924	2.2
67.05498	41.1
69.03419	3.3
69.07062	14.4
70.68478	1.0
71.04992	7.2
77.03905	1.6
79.05483	29.7
81.07047	94.3
82.07386	1.7
83.04965	7.3
83.08607	5.6
85.06530	8.7
91.05470	34.9
93.07034	39.1
95.04964	8.1
95.08594	74.2
96.08926	1.7
97.06515	25.2
99.08080	8.3
102.99018	1.0
103.05438	1.9
105.04464	1.4
105.07016	43.0
106.07280	1.0
107.08585	21.2
109.06488	9.1
109.10150	13.5
111.08064	6.2
113.09617	1.3
117.06984	3.1
119.04916	3.7
119.08566	54.6
120.08890	1.7
121.10133	17.5
123.04402	3.7
123.08052	12.9
123.11674	4.1
131.08524	2.1
133.02768	1.9
133.10107	43.2
134.10461	1.5
135.08084	1.4
135.11678	32.7
137.05977	2.2
137.09581	5.7
137.13235	3.5
147.04410	5.4
148.03935	2.2
151.11156	3.0
151.14844	1.2
161.09637	2.1
161.13237	90.4
162.05452	1.1
162.13586	2.3
174.49535	0.9
179.03409	6.7
179.06883	3.0
179.08530	1.9
179.10715	3.5
179.14284	100.0
180.06558	1.1
180.14638	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.48493	0.9
52.63805	0.9
55.01856	2.6
55.05254	1.4
55.05503	16.3
57.03421	4.2
57.07067	9.5
59.04999	2.4
62.13235	0.8
62.19140	0.9
67.05499	33.9
68.05830	1.1
69.03419	6.6
69.06710	1.4
69.07062	24.1
70.93654	1.1
71.04986	2.5
71.08612	4.1
77.03938	1.1
79.05474	5.1
81.07051	20.2
83.04972	35.4
83.08609	6.4
85.02908	1.0
85.06523	5.9
91.05470	16.3
93.07038	16.3
95.04964	14.5
95.08595	100.0
96.08944	1.4
97.10166	2.8
98.49985	0.9
99.08054	1.2
105.03378	1.3
105.07022	18.2
107.04980	1.4
107.08585	25.2
108.05743	1.4
109.06506	22.2
109.10146	48.1
110.10495	1.6
111.08077	1.9
112.52218	1.0
117.06987	1.2
119.04929	8.3
119.05682	1.1
119.06075	1.1
119.08564	23.2
120.96589	0.9
121.06506	2.3
121.10133	25.5
123.04440	2.2
123.07153	2.2
123.08052	43.1
123.11701	7.6
124.08862	2.6
131.08519	2.3
133.02782	1.3
133.06456	2.8
133.10104	19.6
134.06012	1.2
135.08044	2.2
135.11665	14.7
136.07542	1.2
137.05980	13.5
137.09599	17.2
137.13222	7.6
147.03435	1.4
147.04425	11.7
148.03880	3.7
151.07512	2.1
151.08607	1.1
151.11154	2.3
151.14795	36.0
161.05969	2.7
161.09590	5.0
161.13229	19.1
164.04720	1.0
179.03413	5.9
179.06996	12.3
179.08377	1.4
179.10655	10.7
179.14282	76.3
180.14622	2.2
184.65939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03934	1.5
55.01862	2.3
55.05501	7.8
57.03179	0.7
57.03430	7.4
57.07060	1.9
65.03922	1.3
66.11644	0.6
67.05495	35.4
69.03415	2.3
69.06752	0.8
69.07061	9.5
71.04993	4.7
71.27387	1.1
79.05482	24.8
81.07046	95.0
82.07368	1.0
83.04969	6.8
83.08592	3.4
84.87148	0.7
85.06528	8.6
91.05466	30.2
92.05756	0.8
93.07030	37.8
94.07357	1.0
95.04952	6.4
95.08593	72.7
96.08923	1.3
97.06519	16.9
97.10136	0.8
99.08073	9.1
105.07018	38.7
107.08574	17.6
107.09257	1.5
109.06502	6.6
109.10139	8.5
111.08069	5.8
117.07008	2.2
119.08560	55.5
121.10134	16.3
123.08047	10.4
123.11678	2.0
131.08501	1.2
133.10112	32.8
135.11671	31.1
136.12059	0.9
137.09578	4.1
137.13231	2.5
151.11174	2.1
161.13234	91.2
162.13582	3.5
179.03337	1.6
179.14282	100.0
180.14658	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	180.0653
Annotation	3-(2-Aminophenyl)-3-Oxopropanoic Acid
Peak:m/z	Relative Intensity
55.01840	0.7
56.96559	1.7
57.03419	0.3
60.04494	0.4
61.02902	0.8
63.02348	0.5
65.03906	0.9
67.05470	0.4
69.03420	1.9
71.04965	0.3
72.04492	0.7
73.02877	0.3
79.05118	0.2
79.05481	2.7
81.03378	0.3
82.04173	0.3
84.04475	0.4
85.02890	3.6
89.03391	0.6
89.03902	10.6
90.04203	0.3
91.04948	0.3
91.05469	3.9
92.04987	0.3
95.04935	1.1
97.02846	1.3
98.96989	0.4
98.97570	5.9
107.04935	4.1
110.03599	0.3
111.04408	0.7
116.98598	6.8
117.03362	14.2
118.02448	0.3
118.03588	0.3
119.04901	2.0
120.08041	0.3
120.96502	0.4
121.02847	0.5
121.06503	1.7
121.10079	0.3
125.05956	0.4
127.03913	1.7
134.05954	0.9
134.09579	0.3
134.99658	4.9
135.04393	29.6
136.04730	0.4
137.05937	3.8
138.05472	2.8
138.98926	0.3
144.05389	0.3
145.02827	18.8
146.03130	0.4
148.03882	0.5
152.07024	0.8
153.00658	0.7
162.05441	2.0
162.09047	0.3
163.03874	100.0
164.04221	2.0
165.07791	0.6
180.03969	0.4
180.06529	9.1
180.08206	0.5
180.08861	0.6
180.10187	1.2
180.13896	0.4
181.04906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01867	4.0
55.05503	1.7
55.32198	1.5
56.96561	9.4
57.03425	5.3
59.98765	1.5
60.04520	4.5
61.02924	12.9
61.25736	1.5
62.11095	1.3
65.03939	4.9
67.05488	4.2
69.03421	19.4
69.07054	1.9
69.42977	1.4
71.04982	2.9
73.02912	5.0
74.45851	1.3
77.03432	1.3
79.05496	12.5
81.03418	6.4
81.07054	4.1
85.02890	63.2
87.04449	2.6
91.03934	7.1
91.05498	7.9
93.07034	27.2
95.04987	4.1
95.08625	2.7
96.04456	1.5
97.02885	18.1
97.06513	1.8
98.97567	50.2
99.04465	2.8
105.07008	14.9
107.08582	13.2
109.02894	4.5
110.03630	2.4
116.98602	48.1
116.99390	2.7
119.08588	6.0
121.06516	3.3
121.10124	100.0
123.07999	2.9
124.25676	1.6
125.05930	2.7
127.03870	11.0
133.07597	3.5
134.05998	1.9
134.09605	1.6
134.99651	28.4
135.11693	8.9
137.05931	4.3
138.03131	2.0
139.11145	1.8
144.06563	1.8
145.04968	6.6
148.03938	5.5
152.07028	2.5
153.00705	4.4
155.02312	1.5
158.01279	2.7
162.07718	1.6
162.09091	2.7
163.03880	2.0
163.11127	5.4
171.06572	3.9
180.06516	5.2
180.10121	3.1
181.04958	12.9
181.06389	2.6
181.12175	3.3
185.50464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	12.2
57.20274	0.4
62.48497	0.4
63.92921	0.6
70.83349	0.5
71.42740	0.6
71.95248	1.0
78.95300	0.8
83.01505	1.2
98.97566	100.0
99.97888	0.5
100.02467	1.1
101.02547	3.1
102.02217	1.5
102.96850	1.2
103.00634	1.0
112.29985	0.4
116.98602	61.7
119.01923	1.9
119.03596	1.6
119.43738	0.5
119.97884	0.6
120.03266	0.6
120.97894	0.7
121.01654	3.1
134.99632	24.6
135.03188	0.5
140.00162	1.2
153.00684	2.8
158.01262	1.4
158.96288	0.4
163.02669	0.7
180.98177	1.3
181.97873	0.8
198.99249	1.8
199.98788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
52.99917	0.4
53.00318	0.3
53.03932	0.6
55.01865	0.7
55.05483	0.8
56.96561	4.0
60.83182	0.4
63.02382	0.6
64.56734	0.3
65.03937	4.0
67.05160	0.7
67.05498	10.5
69.03411	0.7
69.07045	1.5
70.98919	0.6
77.03917	0.7
79.05486	6.1
81.03361	0.4
81.07015	1.0
82.04163	1.0
83.04956	0.9
85.02898	2.1
86.02383	0.4
89.03903	19.7
90.04216	0.8
91.05468	2.6
93.03378	1.3
93.07024	4.4
94.06557	0.7
95.04956	12.5
95.08595	0.5
97.06510	1.4
98.97570	25.3
103.05450	0.6
104.04955	1.5
105.03363	0.7
105.04503	1.2
105.06998	1.1
107.04945	7.6
107.08588	2.4
108.02095	0.6
108.04451	0.5
109.02831	0.5
109.06509	0.6
110.03629	1.1
111.04411	2.6
116.98605	21.7
117.03364	20.8
117.06954	0.4
118.03671	0.5
119.04960	0.8
119.08588	0.9
121.06490	1.2
121.10128	12.7
122.06019	2.2
123.04433	0.8
123.08043	0.5
125.05965	1.2
132.04428	4.8
134.99644	13.0
135.04399	43.2
135.08018	1.5
135.11676	1.3
136.04657	0.7
136.07578	2.4
137.05948	1.5
138.03102	0.6
139.03900	2.0
139.11140	0.5
140.00151	0.4
145.02831	24.7
149.02330	1.6
150.05464	1.2
153.00677	2.0
153.05457	1.1
154.08609	1.2
158.01299	1.0
163.03880	100.0
163.11139	1.7
164.04224	2.6
164.07071	1.9
171.06531	2.2
181.03508	0.8
181.04953	8.3
181.06366	0.7
181.08380	0.6
181.09799	0.8
181.12199	2.4
182.08102	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	181.0494
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
51.02396	0.6
53.03949	0.7
55.05506	0.5
56.96560	3.3
64.64869	0.3
65.03934	5.3
67.05491	0.7
69.03414	0.8
69.07064	0.9
69.29424	1.8
71.17478	0.3
77.03947	1.5
79.05489	2.9
81.07048	0.9
82.04200	0.5
83.04971	0.8
85.02912	0.7
89.03880	0.5
91.05470	1.1
92.02646	1.0
93.03402	2.3
93.07021	1.8
95.04958	5.1
95.08588	0.6
97.06534	1.0
98.97572	23.1
99.04465	0.4
105.03353	0.8
105.04510	1.5
105.07016	1.4
106.07343	0.6
107.04942	1.1
107.08569	2.7
108.02107	0.6
109.10136	0.4
110.03619	0.4
111.04432	1.6
116.98609	16.5
117.03377	0.8
119.08603	0.4
120.02040	0.3
121.02860	10.8
121.03965	2.5
121.06463	0.9
121.10119	3.1
122.06015	1.6
123.08058	0.4
133.02834	7.4
134.99640	7.0
135.04402	8.3
135.08022	0.8
135.11647	0.7
136.07535	1.3
136.09435	0.4
137.09602	0.5
140.00186	0.3
144.51584	0.3
145.02834	0.6
145.10057	0.4
149.02321	100.0
150.02658	2.9
153.00681	0.5
153.05405	0.4
158.01152	0.5
163.03882	68.6
163.11134	0.9
164.04227	1.6
164.07054	0.5
167.03352	0.9
171.06491	0.8
181.04933	3.0
181.12196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.6
63.02370	0.3
65.03936	1.2
67.05489	1.0
69.62937	0.3
69.63260	0.8
77.03926	0.6
79.05487	3.0
82.04196	0.6
85.02896	0.7
89.03902	16.4
90.04230	0.3
91.05472	1.3
93.03413	0.6
95.04954	1.8
98.22711	0.5
98.97569	4.4
105.04498	0.6
107.04937	6.1
108.02071	0.4
110.03642	0.4
111.04421	1.1
116.98600	2.6
117.03365	20.1
118.03706	0.4
119.04944	0.4
125.06023	0.3
134.54730	0.3
134.99678	1.4
135.04395	37.6
136.04729	0.9
139.03862	0.7
145.02827	24.3
146.03146	0.4
153.05424	0.5
163.03877	100.0
164.04210	1.9
171.06544	0.8
181.04935	3.6
181.12245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0491
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03937	0.4
55.01863	0.7
56.96553	3.6
63.02367	0.5
65.03929	2.5
67.05497	2.0
69.03411	0.3
71.44139	0.3
79.05482	5.7
81.03383	0.3
81.07040	0.7
82.04179	0.9
83.04968	0.7
85.02886	1.3
85.21420	0.3
89.03902	18.7
91.05466	3.1
93.03382	0.9
93.05773	0.5
93.07029	2.0
94.06551	2.0
95.04956	3.5
95.08560	0.4
97.06516	0.7
98.97568	16.8
104.04971	1.9
105.04494	0.9
105.07049	0.7
107.04933	7.2
107.08572	1.2
108.02077	0.5
109.06509	0.4
109.10139	0.4
110.03636	0.6
110.06048	0.4
111.04423	2.8
111.08040	0.3
116.98607	17.7
117.03359	21.4
117.98904	0.3
119.04907	0.6
119.08532	0.3
120.04465	0.5
121.02881	0.5
121.05231	0.7
121.06468	2.0
121.10125	3.0
122.06017	7.6
122.06821	0.6
123.04439	0.4
123.08105	0.3
125.05980	0.8
132.04422	5.7
134.05006	0.3
134.98593	0.3
134.99638	13.0
135.04391	43.1
135.08017	0.9
135.11653	0.7
136.04713	0.8
136.07561	1.6
137.05946	0.9
138.03113	0.6
138.05478	0.8
138.06621	0.3
139.03871	1.8
140.00157	0.5
145.02824	26.6
146.03165	0.8
149.02322	1.1
149.04732	0.4
150.05482	2.6
153.00681	2.4
153.05414	0.7
154.08589	0.5
158.01199	0.8
163.03873	100.0
163.11089	1.0
164.04207	3.0
164.07033	1.1
166.04953	0.8
171.06462	1.1
180.09041	0.3
181.04941	4.7
181.06392	0.6
181.08430	0.5
181.09766	0.4
181.12178	0.7
182.00822	0.3
182.08138	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	181.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01863	1.6
55.05505	1.6
56.96560	2.9
57.07063	0.5
63.02369	0.8
65.03932	4.0
67.05492	3.7
68.99773	1.3
69.03415	3.6
69.07060	3.4
69.64164	1.1
71.04971	0.5
77.03934	0.8
79.05478	7.4
79.27538	0.3
81.03400	0.5
81.07048	1.7
82.04187	1.1
83.04969	5.8
83.05444	0.6
85.02880	1.9
85.06533	0.7
89.03899	20.0
90.04247	0.5
91.05470	6.5
93.03384	1.6
93.07031	4.2
95.04960	3.7
95.08595	5.0
97.02892	1.8
97.06516	19.3
98.60249	0.3
98.97569	13.2
99.04437	0.3
99.74535	0.3
103.05468	0.9
103.11459	0.3
104.04975	0.4
105.04491	1.2
105.07024	2.2
107.04937	8.9
107.08585	3.8
108.02082	0.7
109.06507	0.9
109.10149	1.5
110.03653	1.4
111.04419	4.6
111.08058	1.5
113.05941	0.8
116.98602	11.9
117.03358	22.8
117.06995	1.5
118.03703	0.5
119.04911	2.2
119.08571	1.3
120.08075	1.7
121.02823	0.7
121.06496	3.2
121.08407	0.8
121.10114	3.7
122.06048	1.7
123.00789	0.4
123.04408	1.8
123.08045	2.9
125.05981	2.6
130.07759	1.1
132.04413	0.8
134.99649	7.6
135.04391	47.5
135.07999	3.2
135.11668	3.5
136.04732	1.1
136.07565	1.6
137.05986	2.1
137.09547	2.7
138.03040	0.9
139.03879	2.6
139.11154	2.5
145.02823	24.9
145.03830	0.9
145.10078	2.4
146.03189	0.6
149.05916	0.8
151.03879	1.6
151.11145	0.5
152.06219	0.4
153.00647	1.0
153.04211	0.7
153.05438	10.1
153.09094	1.0
153.12741	0.4
158.01204	0.5
163.03870	100.0
163.11140	10.8
164.04216	2.8
164.07034	0.9
171.06516	2.2
180.10112	0.4
181.04919	14.8
181.06160	0.5
181.08434	1.5
181.09853	0.5
181.12189	8.6
182.08130	0.5
190.94434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77366	0.8
55.01865	0.9
56.96562	14.2
57.03432	41.6
65.03938	2.9
67.05508	2.0
69.07056	2.0
69.12746	3.2
69.13167	1.8
75.03635	0.9
79.05487	3.3
81.07047	1.5
85.02906	0.9
91.05473	5.2
93.07046	5.2
95.04975	3.6
95.08606	1.0
97.06547	2.5
98.97573	100.0
103.05465	2.2
104.04943	1.3
107.04943	2.0
107.08573	1.9
108.02023	1.0
109.10153	0.8
116.98610	76.8
121.06495	4.8
121.10153	4.0
122.06021	18.8
122.06855	1.5
123.04421	1.5
123.08009	1.5
123.11697	0.9
125.05940	1.2
132.04446	3.5
134.99643	38.5
135.04500	1.0
135.07994	1.0
135.11690	1.9
136.07582	1.0
137.05963	2.6
140.00194	2.3
145.02811	0.8
149.05983	3.5
153.00708	5.4
153.05458	1.1
157.49402	0.9
158.01256	3.8
163.03908	2.1
163.11105	2.0
164.07062	1.5
171.06497	1.5
181.04926	9.2
181.06181	1.0
181.08513	12.4
181.12178	1.7
182.08138	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	181.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77366	0.8
55.01865	0.9
56.96562	14.2
57.03432	41.6
65.03938	2.9
67.05508	2.0
69.07056	2.0
69.12746	3.2
69.13167	1.8
75.03635	0.9
79.05487	3.3
81.07047	1.5
85.02906	0.9
91.05473	5.2
93.07046	5.2
95.04975	3.6
95.08606	1.0
97.06547	2.5
98.97573	100.0
103.05465	2.2
104.04943	1.3
107.04943	2.0
107.08573	1.9
108.02023	1.0
109.10153	0.8
116.98610	76.8
121.06495	4.8
121.10153	4.0
122.06021	18.8
122.06855	1.5
123.04421	1.5
123.08009	1.5
123.11697	0.9
125.05940	1.2
132.04446	3.5
134.99643	38.5
135.04500	1.0
135.07994	1.0
135.11690	1.9
136.07582	1.0
137.05963	2.6
140.00194	2.3
145.02811	0.8
149.05983	3.5
153.00708	5.4
153.05458	1.1
157.49402	0.9
158.01256	3.8
163.03908	2.1
163.11105	2.0
164.07062	1.5
171.06497	1.5
181.04926	9.2
181.06181	1.0
181.08513	12.4
181.12178	1.7
182.08138	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03936	1.6
55.01860	4.0
55.05506	8.7
56.96556	13.9
57.03418	1.9
57.07038	1.3
65.03938	11.6
67.05497	18.8
69.03419	8.8
69.06700	2.4
69.07059	27.2
69.81997	4.1
71.04977	2.2
77.03928	3.8
79.05485	15.5
81.03379	2.4
81.07050	14.5
82.04186	5.8
83.04972	25.1
83.08603	1.7
85.02881	6.7
85.06520	3.1
89.03898	1.1
91.05478	19.3
91.14307	1.1
93.03394	2.2
93.07039	33.9
94.04169	1.7
95.04966	16.3
95.08598	22.5
97.06525	33.5
98.23427	1.2
98.97575	100.0
99.04401	1.4
103.05465	2.8
104.04974	1.5
105.04503	1.9
105.07017	13.9
107.04947	9.9
107.08580	29.7
108.02124	1.5
109.06500	11.0
109.10149	26.4
109.46310	1.1
110.03649	4.0
111.04427	3.1
111.08073	34.1
116.98613	77.2
117.03365	1.6
117.07027	4.2
119.04915	3.4
119.08574	12.9
121.06499	17.2
121.10127	20.9
122.06023	64.9
123.04391	2.5
123.08066	12.5
123.11693	3.3
125.05988	10.0
130.07785	4.2
132.04459	5.7
133.10161	6.0
134.99648	35.5
135.04431	1.9
135.08037	16.3
135.11671	14.2
136.07581	2.7
137.05975	11.0
137.09598	19.8
138.03084	1.5
139.11160	2.7
140.00189	2.9
145.10088	10.5
150.05452	2.0
151.11159	5.0
153.00708	4.4
153.04327	1.3
153.05486	2.9
158.01207	2.7
158.94116	1.3
163.03902	5.1
163.11168	30.6
164.07030	1.6
171.06544	6.2
179.98058	1.2
181.04944	28.4
181.06407	2.3
181.08539	2.3
181.12219	63.8
182.08168	2.4
182.12526	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03946	0.3
55.01858	1.0
55.05494	1.0
56.96552	2.0
57.07063	0.5
59.04990	1.0
61.92630	0.3
65.03916	0.7
67.05496	2.6
69.03411	0.7
69.07059	1.4
71.04987	0.4
72.76031	0.2
77.03918	0.5
79.05036	0.5
79.05479	8.6
81.07051	3.3
82.04179	0.3
83.04954	1.1
83.42036	0.3
85.02874	0.5
89.03902	0.9
89.59779	0.3
91.05463	3.7
93.07030	24.0
94.06524	0.5
94.07375	0.4
95.04955	2.1
95.08586	1.2
97.06515	1.9
98.97568	17.0
99.04456	0.3
103.05451	1.0
104.04980	0.4
105.04514	0.6
105.07015	9.8
105.96668	0.3
106.07803	0.6
107.04941	0.9
107.08575	13.4
109.06506	0.6
109.10114	0.4
116.85848	0.3
116.98609	10.1
117.03368	1.2
117.06989	0.4
119.08553	5.2
120.57862	0.3
120.65627	0.3
121.10125	100.0
122.06010	26.4
122.06935	0.5
122.10459	2.3
123.08056	2.5
125.05978	1.2
132.04434	1.1
133.07567	1.4
134.99625	4.2
135.04401	2.6
135.08092	0.5
135.11674	11.6
136.07527	0.7
137.05902	0.4
139.07516	1.3
139.11171	1.2
140.00130	0.3
145.02824	1.4
145.10109	1.6
150.05473	0.9
152.06209	0.4
153.00708	0.4
158.01222	0.5
163.03874	5.7
163.11153	5.7
164.07115	0.4
181.04961	1.0
181.06499	1.0
181.12209	4.6
182.08035	0.6
191.62686	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03928	2.0
55.01857	5.5
55.05499	13.9
56.96556	15.7
57.03414	3.4
57.07051	3.0
65.03902	2.6
66.89088	1.1
67.05495	24.4
68.99796	1.4
69.03419	12.2
69.07058	36.7
69.88432	3.7
71.04990	7.0
77.03880	2.0
79.05479	22.7
80.28010	1.4
80.64543	1.1
81.03405	4.5
81.07049	22.8
83.04968	30.6
83.08611	5.9
85.02888	2.4
85.06520	7.7
89.03911	1.3
91.05461	19.4
93.03340	1.4
93.07036	45.2
93.31174	1.2
94.07363	1.5
95.04954	19.1
95.08015	2.1
95.08593	30.2
96.08919	1.2
97.06519	41.1
97.10156	1.3
98.23380	1.6
98.97570	100.0
99.08095	2.1
103.05447	2.0
105.07018	17.6
107.04939	12.4
107.08575	44.2
109.06494	14.2
109.10133	29.3
111.04414	3.1
111.08056	14.6
113.05920	1.2
115.05405	1.2
116.98606	82.6
117.03310	1.8
117.07008	8.5
119.06058	1.4
119.08552	18.8
121.06493	18.1
121.10125	37.4
122.06024	20.3
122.06887	2.0
122.07267	2.1
122.68137	1.2
123.08060	17.3
123.11713	1.9
125.05956	13.4
125.09591	2.9
130.07758	3.4
132.04414	3.3
133.10088	6.4
134.99638	42.0
135.04399	5.1
135.08052	27.8
135.11670	23.4
137.05946	2.2
137.09590	25.3
137.13205	3.0
139.07465	2.5
139.11177	5.1
140.00166	2.0
145.10101	18.5
147.04381	2.7
148.08768	1.5
149.05934	3.3
150.05547	1.6
151.11154	5.2
153.00688	4.3
153.05374	1.4
153.09019	1.5
158.01218	5.3
163.03888	7.6
163.11163	44.7
163.14906	1.5
164.07106	1.5
181.04965	8.0
181.08595	3.4
181.12209	78.9
181.15808	3.4
182.08170	2.0
182.12622	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03917	4.0
55.01849	8.8
55.05504	20.2
55.98559	2.0
56.96558	13.9
57.03419	3.5
57.07065	4.8
65.03925	6.3
65.80746	1.9
67.05495	29.4
69.03410	14.8
69.06713	2.8
69.07058	44.6
70.50928	3.2
71.04980	6.5
77.03906	4.7
78.18549	2.0
79.05486	38.6
81.03416	4.3
81.07049	64.0
83.04971	43.3
83.08606	3.5
85.02903	4.4
85.06533	7.4
89.03881	3.3
91.05458	28.6
92.05828	2.3
93.07035	59.1
95.04969	26.5
95.08603	30.8
97.02871	2.8
97.06516	43.4
98.97572	100.0
99.08102	5.7
103.05456	4.5
104.04983	8.8
105.04514	4.5
105.07030	28.9
107.04948	16.4
107.08581	55.5
108.02098	2.7
108.08104	3.8
109.06489	20.3
109.10146	47.5
110.05988	2.0
111.04400	9.1
111.08073	42.8
113.05991	2.8
114.98316	2.6
116.98610	63.3
117.03365	5.0
117.06995	8.9
117.21127	2.2
119.08574	19.5
121.06495	23.9
121.10127	47.1
122.06023	15.8
123.08057	14.3
123.11665	4.1
125.05972	13.7
125.09589	3.1
130.07718	6.2
132.04454	19.3
133.10112	10.7
134.99651	28.3
135.04420	11.2
135.08044	28.8
135.11681	29.3
136.07539	8.0
137.05934	6.1
137.09596	34.3
139.11111	4.7
140.00253	2.5
140.12329	2.1
145.02798	4.3
145.10109	28.9
149.05984	2.6
150.05481	3.4
151.11154	7.7
153.05486	2.5
153.09062	7.9
163.03900	22.1
163.11160	67.5
164.01645	7.1
164.07057	8.7
164.11496	2.3
171.06465	3.9
181.04971	13.7
181.12206	91.7
182.08029	5.7
182.12549	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	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.87005	0.2
52.54294	0.2
53.03937	1.1
55.01859	0.5
55.05497	0.7
55.41718	0.2
65.03933	0.6
67.05495	1.1
69.07041	0.4
70.02951	0.3
70.59521	0.3
75.87036	0.3
76.20927	0.3
77.03902	1.6
79.05478	1.1
80.05015	0.5
81.07047	1.0
83.08614	0.5
84.08921	0.3
85.06560	0.4
90.18537	0.2
90.43626	0.3
91.05470	5.0
92.05831	0.3
93.05796	1.0
93.07033	3.6
93.26215	0.3
94.06574	0.9
95.04959	3.4
95.08604	0.8
98.97569	0.4
98.98460	0.8
104.04972	1.6
105.03394	0.3
105.04498	1.1
107.08563	0.5
108.04472	0.8
108.08128	2.6
108.08859	0.4
109.10126	0.7
109.75150	0.3
114.87963	0.3
116.98590	0.4
122.02383	0.3
122.06017	16.8
122.10439	0.3
123.04406	0.3
123.06344	0.4
126.05518	1.9
132.04439	3.5
136.07559	100.0
137.05983	0.4
137.07913	2.4
140.07031	2.9
150.05464	1.1
154.08636	0.5
164.07045	51.5
165.07347	0.9
167.61742	0.3
182.08073	2.6
201.95488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03941	1.0
55.05505	1.4
57.07067	1.8
64.97572	0.2
65.03930	0.5
67.01875	0.2
67.05497	3.2
67.15302	0.3
69.07056	0.9
70.74818	0.4
71.04989	1.1
77.03897	1.3
79.05470	1.3
80.05012	0.3
81.07041	3.3
83.04975	0.3
83.08621	1.0
85.06522	1.0
86.06059	0.2
91.05472	4.1
93.05791	0.6
93.07034	3.9
93.97318	0.2
94.06566	0.5
95.04950	2.9
95.08586	4.2
98.97604	0.3
98.98434	0.6
99.97918	0.4
105.04501	0.8
107.08581	0.3
108.04466	0.6
108.08109	2.3
109.06545	0.3
109.10143	2.8
116.98627	0.3
121.10148	0.7
122.06030	4.0
123.11699	0.6
126.05506	1.7
127.01565	0.3
132.04436	0.6
136.07558	100.0
137.07953	1.8
137.09575	0.4
137.13306	0.2
139.11195	0.3
140.07028	2.9
147.11649	0.3
150.05499	0.4
164.07043	46.7
165.07404	0.7
170.45448	0.3
182.08041	0.5
183.13786	0.5
183.17429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
51.02370	0.8
51.86983	0.4
53.03946	1.8
58.02944	0.6
59.81499	0.3
67.05492	3.2
69.89244	0.9
77.03915	4.4
79.05479	5.0
79.05895	0.6
80.05009	3.2
81.03410	1.5
81.07032	0.4
84.14668	0.3
85.06533	0.3
91.05469	7.0
93.05802	1.8
93.07035	9.6
94.06556	5.8
95.04958	13.7
96.04492	1.4
98.22820	0.6
104.04980	42.7
105.03384	7.4
105.04482	3.3
106.06546	0.4
108.02086	0.7
108.04463	6.6
108.08099	2.3
109.06507	4.4
112.07601	1.7
119.04922	0.7
120.04453	0.4
121.05224	2.6
122.06016	17.5
123.04424	10.5
123.06846	0.9
124.03930	0.8
126.09122	1.9
132.04436	100.0
133.04770	2.1
136.07564	24.3
137.05957	6.6
138.09164	0.9
139.06252	1.3
140.07066	1.7
149.04698	6.2
150.05486	21.5
151.05742	0.5
154.08606	8.0
164.07043	19.8
165.07462	0.4
182.08112	36.5
183.08574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.05508	6.3
56.96530	1.0
57.07049	1.4
58.02953	32.1
58.06581	0.8
67.05157	1.3
67.05499	19.3
69.07059	61.3
70.06596	1.7
74.06062	1.3
79.05486	5.4
81.07045	17.4
82.06519	1.0
83.04973	1.1
83.08611	8.1
84.04497	1.0
84.08128	7.2
86.06046	1.0
91.05449	3.4
93.07035	11.2
95.04945	2.9
95.08604	5.0
97.06496	3.7
98.06034	2.3
98.09681	2.8
98.97573	4.9
98.98435	1.1
99.97902	2.4
100.07593	6.5
105.07005	12.1
107.08575	15.8
109.06469	1.3
109.10139	49.6
112.07552	2.1
114.09151	12.3
116.98606	3.1
117.98933	0.8
119.08555	1.0
121.10109	1.8
123.11701	7.1
123.30949	0.8
126.09135	12.6
126.12757	1.0
128.10686	0.9
132.04440	1.8
133.10109	29.4
134.99663	1.3
135.11685	16.0
138.11746	1.3
138.12766	18.7
140.10663	1.3
140.14200	1.1
147.11708	4.7
151.11154	10.4
153.12704	13.1
154.15894	1.2
164.14355	1.9
165.12727	2.3
177.70828	0.9
182.08113	1.3
182.15378	100.0
183.15709	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	182.9456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35483	5.8
57.60657	5.3
86.09692	10.5
94.93005	33.4
119.01897	13.5
142.03493	6.7
147.29030	6.2
150.48743	5.3
152.51909	5.8
160.04515	8.6
182.94565	100.0
184.07205	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	183.0652
Annotation	Methyl orsellinate
Peak:m/z	Relative Intensity
53.03947	3.4
65.03934	2.8
67.05499	20.7
69.82906	8.8
70.20291	2.9
77.03913	4.3
79.05044	4.3
79.05486	73.8
81.03399	9.6
81.07050	4.2
85.03996	3.0
95.04955	49.9
95.08587	3.1
98.23312	4.6
98.98460	45.9
99.04445	3.8
101.91988	2.5
102.00685	2.9
104.56781	2.4
105.03383	15.3
105.04519	4.2
105.07009	7.9
119.01933	6.4
119.08614	3.2
120.34998	2.6
122.03596	4.1
123.04420	100.0
123.06346	3.3
123.08002	2.9
124.04710	3.3
125.09582	3.1
127.01549	8.1
133.02841	26.5
133.04784	4.6
133.06461	5.8
137.05959	25.8
137.09630	4.5
137.31168	3.0
140.04596	3.9
142.03502	3.9
151.03896	27.9
155.04662	3.0
160.04601	3.5
165.09045	2.8
183.06477	3.0
189.38560	2.7
198.74594	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	183.0651
Annotation	Methyl orsellinate
Peak:m/z	Relative Intensity
53.03938	4.0
55.01850	4.0
55.05493	6.4
56.96562	2.8
57.03417	4.5
65.03918	3.2
67.05492	23.5
69.03417	5.4
69.07041	10.3
69.76237	8.7
70.06562	11.0
71.04965	8.4
71.74057	2.6
77.03918	3.3
79.05042	5.1
79.05482	82.6
79.64378	2.9
81.03388	13.6
81.07039	17.4
81.08560	3.0
82.87963	2.6
83.04946	5.6
85.06521	4.9
91.05466	10.8
93.07023	9.3
95.04957	59.3
95.08582	13.3
96.05248	3.2
97.02896	3.1
97.06493	6.7
98.98454	89.6
99.04427	22.2
105.03374	17.1
105.04449	5.4
105.07030	11.8
107.08578	7.7
109.06498	12.7
109.10123	7.1
110.09650	3.9
116.99450	3.0
118.98250	2.9
119.01897	8.8
119.08552	8.6
121.06503	3.2
121.10168	6.8
123.04411	100.0
123.06292	3.8
123.08041	14.6
124.07523	3.3
125.06004	2.8
127.01548	17.7
127.07525	7.6
129.06985	3.8
133.02840	26.9
133.04773	4.1
133.06442	5.8
136.28232	2.8
137.02902	4.1
137.05962	20.9
137.09601	7.2
138.09125	4.0
140.04631	6.7
142.03514	5.8
143.73962	2.6
147.07965	4.8
147.11650	3.1
151.03860	25.1
155.04745	3.6
155.06975	5.3
156.08095	13.4
160.04501	9.0
165.09067	7.3
183.06537	3.7
183.10132	7.1
183.11641	4.6
183.13750	4.1
184.07513	8.2
184.09656	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	183.1015
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
52.33455	1.0
52.77242	0.9
53.03933	1.1
55.01866	17.5
55.05502	6.1
57.03419	2.4
57.07059	3.3
61.51285	0.8
61.76014	0.8
67.05495	54.4
69.03426	4.4
69.07056	4.3
69.13611	0.8
70.61906	1.2
70.62263	1.0
71.04980	10.8
79.05479	12.2
81.07047	50.2
83.08627	1.5
85.06532	3.9
86.24967	0.8
91.05444	1.6
93.07043	4.6
95.04951	7.0
95.08591	21.5
97.06513	8.6
98.98473	5.1
99.04433	4.7
99.08067	3.5
107.04948	0.9
107.08566	2.8
109.06506	3.3
109.10140	100.0
110.10492	1.1
113.05975	4.9
119.08524	4.5
121.10094	2.4
123.04414	1.0
123.08047	3.8
125.05975	32.1
127.01604	0.9
131.09917	0.8
134.51224	0.9
137.09586	28.5
143.07031	2.8
153.09068	2.0
155.10658	4.0
165.09079	10.2
166.57864	0.8
183.10179	10.3
183.17491	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1016
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
50.01582	0.3
51.02396	0.2
53.03935	0.3
55.01661	0.2
55.01873	2.1
59.89338	0.2
65.03936	0.6
66.04718	0.2
67.05509	0.4
71.00867	0.2
77.03890	0.4
79.05485	6.1
80.05824	0.2
81.07057	1.1
81.42455	0.2
91.05478	1.3
93.07033	0.2
94.04182	3.4
95.04951	2.0
95.08601	0.5
97.06532	0.3
98.85023	0.2
98.98458	4.6
99.04455	0.4
99.28029	0.2
103.05447	3.7
105.03407	0.5
105.04529	0.6
105.07020	36.4
106.07363	0.6
107.04981	0.6
109.02864	0.6
109.06471	1.2
109.10192	0.3
115.05449	0.5
119.01952	0.7
119.08569	0.6
122.03636	9.6
122.06022	1.0
123.04416	0.7
123.05569	0.3
123.06361	3.1
124.05175	1.0
127.01550	0.6
133.06477	26.9
134.06816	0.5
135.04434	0.4
137.05963	100.0
138.06302	2.3
142.03494	0.4
159.65913	0.3
160.04504	0.5
165.09106	4.4
187.05933	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	183.138
Annotation	Nordavanone
Peak:m/z	Relative Intensity
51.24694	1.1
52.49324	0.9
53.03934	2.4
55.01860	2.3
55.05500	9.0
57.03431	1.9
57.07073	10.0
59.04988	2.2
60.94139	0.9
67.05499	14.4
69.03425	36.6
69.07061	49.9
69.14771	6.4
71.04977	2.7
71.08643	2.2
79.05485	16.0
81.03400	4.4
81.07047	100.0
82.07364	1.2
83.04475	1.1
83.04971	17.9
83.08612	1.7
85.06536	12.7
91.05455	2.4
93.07032	7.0
95.04959	6.0
95.08595	25.9
97.06526	7.7
98.22736	2.3
98.98447	3.1
99.04453	13.3
99.08082	47.7
105.07023	8.6
107.08590	10.6
109.06506	21.8
109.10134	13.3
110.35924	1.1
111.08090	5.9
113.05981	6.8
115.07555	1.7
119.08566	6.0
121.10125	30.9
122.07278	1.2
123.06366	1.4
123.08064	11.3
123.11681	18.5
125.09621	24.1
127.07548	8.1
137.09596	9.0
137.13217	7.7
139.11162	24.1
147.11653	6.0
153.12634	1.0
165.12738	16.2
183.13783	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
50.66209	1.5
55.01860	4.3
55.05497	25.5
57.03424	13.2
57.07071	20.1
59.04981	5.9
67.05493	54.2
69.03410	6.5
69.07059	37.6
70.51560	3.5
71.04985	16.2
71.08618	4.4
79.05479	18.7
81.07045	93.7
83.04969	10.2
83.08608	14.4
85.06530	29.0
91.05465	7.9
92.05792	2.5
93.07032	26.7
95.04945	12.4
95.08593	100.0
97.06507	30.0
97.10152	2.9
98.98451	28.7
99.04424	2.4
99.08088	17.2
105.07016	20.2
107.08577	34.9
109.06506	27.5
109.10140	80.3
110.10399	2.0
111.08057	39.4
111.11697	3.9
113.05965	3.3
119.01851	2.1
119.08559	17.3
121.10126	87.9
122.05992	2.5
122.07201	3.0
123.04435	1.8
123.06370	12.0
123.08056	28.5
123.11687	45.1
125.09625	3.4
127.01537	3.3
127.11165	2.5
133.04761	2.6
135.11656	6.0
136.07552	3.8
137.06911	2.3
137.07935	35.9
137.09579	55.2
137.13228	21.2
138.10420	11.7
139.11163	58.4
141.09113	3.2
145.06473	2.0
145.10100	2.3
147.11661	25.2
153.12740	2.3
155.04773	2.0
155.08452	2.4
165.07405	24.7
165.11459	3.0
165.12730	28.9
171.68376	1.7
183.04477	2.4
183.13783	89.3
183.17290	9.9
184.14117	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	183.1378
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.03939	4.9
55.01864	3.8
55.05500	12.1
57.03412	2.8
57.07063	7.7
59.04976	2.9
65.03927	4.7
67.05491	19.5
69.03419	44.3
69.07057	57.3
71.04989	6.1
71.08634	3.4
77.03906	3.4
79.05477	17.0
81.03408	6.5
81.07043	100.0
83.04962	15.5
83.08620	3.1
85.06541	12.3
91.05477	4.1
93.07006	6.9
94.07375	1.7
95.04954	54.8
95.08588	29.6
96.05284	1.7
97.06509	11.7
98.98450	44.8
99.04447	17.7
99.08075	46.1
99.08716	2.4
100.97159	1.8
100.97976	1.6
105.04511	5.8
105.06979	9.1
107.08578	16.0
109.06503	20.1
109.10136	13.3
111.08089	6.9
113.06015	8.4
117.09072	1.7
118.98249	1.8
118.99010	1.9
119.01912	5.9
119.08532	9.5
121.10125	33.2
123.04409	32.6
123.05325	1.1
123.08047	13.9
123.11687	24.2
125.02374	2.7
125.06007	1.8
125.09610	23.0
127.01556	9.2
127.07523	9.5
128.17004	1.8
133.04774	1.4
137.02931	1.6
137.07907	6.1
137.09578	10.8
137.13185	6.7
139.11151	28.4
140.04662	13.7
141.09160	1.4
142.03505	5.3
147.11696	7.5
153.12645	1.5
155.04741	3.0
155.07018	8.5
155.08388	2.5
160.04538	7.0
165.07497	2.3
165.12740	16.8
166.08659	1.5
183.06512	3.1
183.08015	2.0
183.13771	41.4
183.19403	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
50.89103	1.8
53.03919	4.4
54.19200	1.7
55.01854	3.3
55.05504	19.4
57.03435	12.1
57.07056	8.6
59.04990	3.6
65.03902	2.3
67.05493	35.2
69.03431	10.8
69.07059	41.0
69.39092	6.9
71.04971	7.5
71.08608	2.4
77.93177	2.3
79.05482	20.1
81.03394	2.1
81.07044	93.7
82.07363	2.9
83.04963	12.1
83.08590	5.0
85.06531	27.8
91.05447	10.0
93.07027	31.6
95.04962	20.4
95.08593	82.7
96.08945	2.6
97.06514	36.3
98.98448	48.9
99.04438	5.5
99.08089	15.1
105.07017	22.2
107.08582	40.5
109.06501	28.5
109.10139	70.8
111.08064	44.3
111.11665	2.5
113.05962	3.5
119.01942	5.1
119.08559	19.9
121.10131	100.0
122.07260	2.6
123.04395	8.2
123.06359	3.5
123.08049	45.4
123.11693	55.9
125.09605	3.4
127.01549	6.0
129.87068	1.8
133.04755	2.5
135.11670	7.6
137.09595	69.1
137.13216	23.5
138.10403	17.0
139.11150	69.6
140.04623	3.0
141.05417	2.6
141.09094	3.7
142.03421	2.4
147.11664	30.3
153.12682	2.6
155.04756	2.7
155.08492	4.3
160.04515	5.8
165.06607	1.9
165.12743	34.7
170.82910	2.1
175.71692	2.0
183.09163	7.8
183.13777	94.5
184.07500	5.0
184.14085	3.7
201.24525	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Nordavanone
Peak:m/z	Relative Intensity
50.24406	0.9
53.03926	1.8
55.01866	4.8
55.05504	10.7
57.03423	2.0
57.07067	8.6
59.04994	2.4
65.03926	1.5
67.05502	19.2
68.99802	1.0
69.03424	35.8
69.07064	55.9
69.60082	3.6
71.04991	5.0
71.08617	2.7
73.96798	0.9
79.05048	1.1
79.05488	16.6
80.04985	0.8
81.03408	5.1
81.07051	100.0
82.07373	2.1
83.04522	1.5
83.04977	20.1
83.08602	4.2
85.06532	12.8
91.05460	2.8
93.07037	7.4
95.04977	10.1
95.08600	28.5
97.06522	11.7
97.07119	1.4
97.10150	1.7
98.98463	30.0
99.04457	14.1
99.08087	45.6
101.00875	1.9
105.04597	0.9
105.07027	7.9
107.08582	13.9
109.06514	20.5
109.10147	25.4
111.08076	6.4
113.06006	5.6
116.99516	0.9
117.09158	0.9
119.01909	3.8
119.08572	7.4
121.10137	33.2
122.06027	1.4
122.10447	1.1
123.04422	17.6
123.05333	1.7
123.06356	7.3
123.08061	16.5
123.11697	19.2
124.07561	1.6
125.05975	4.2
125.09624	23.5
127.01567	4.6
127.07540	8.8
133.04793	2.2
135.11659	1.7
137.05951	2.1
137.07898	2.6
137.09595	13.4
137.13223	3.8
139.11169	24.5
140.04724	1.4
141.09103	1.5
142.03487	3.4
142.47136	1.0
147.11713	8.3
151.03889	34.2
155.04753	1.6
160.04512	5.9
165.07442	1.4
165.09052	2.2
165.10468	0.9
165.12747	16.0
178.05550	1.3
183.06487	1.5
183.08176	1.2
183.10165	1.8
183.13782	36.1
183.15424	1.7
184.07521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01875	0.8
55.05502	37.4
57.03427	1.9
57.07067	50.5
59.04961	1.1
63.69178	0.8
65.03923	1.8
67.05494	88.8
68.05849	1.2
69.03413	0.9
69.07059	17.3
69.15958	2.4
69.16362	3.5
71.04983	56.9
71.08627	9.0
79.05476	7.2
81.07043	75.5
83.08607	29.0
83.09093	1.7
85.06528	30.9
91.05491	1.0
91.77025	0.9
93.07037	4.3
95.04952	3.0
95.08591	100.0
96.08909	1.0
97.06533	1.7
97.10163	9.1
98.98442	13.3
99.04423	1.0
99.08083	4.0
105.07006	1.4
107.08600	2.1
109.10136	74.9
113.09661	1.7
121.10106	0.8
122.06065	1.2
123.04419	1.7
123.08069	1.4
123.11684	18.3
125.05946	1.2
127.01546	2.7
127.11202	5.5
134.04099	1.1
137.09612	3.0
137.13254	3.2
141.06985	1.3
141.12764	1.5
142.03557	1.2
155.08528	1.7
160.04576	1.4
165.09126	1.5
165.12737	1.2
165.16411	2.1
183.07925	1.1
183.11671	2.4
183.17412	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1743
Annotation	Codlemone
Peak:m/z	Relative Intensity
50.30999	1.0
53.03933	1.9
55.05503	30.1
57.03437	1.1
57.07067	47.8
59.34404	0.9
65.03912	1.6
67.05496	75.0
69.07055	17.7
69.50165	2.4
69.50558	1.9
69.73145	1.1
71.04984	36.7
71.08607	6.2
79.05465	5.1
79.18595	1.0
81.03407	1.1
81.07046	65.5
82.07388	1.3
83.08611	30.0
85.06045	1.6
85.06537	27.7
85.10134	2.3
91.05447	2.4
93.07025	4.2
95.04996	1.3
95.08592	100.0
96.03456	1.1
96.08915	1.5
97.06506	1.2
97.10170	8.5
98.98459	6.9
99.08067	5.4
107.08549	3.0
109.06467	1.4
109.10139	73.2
110.10476	1.0
111.08060	1.3
113.09632	2.0
119.08552	1.5
121.10133	4.0
122.06011	1.1
123.04419	1.2
123.06329	3.4
123.08093	2.2
123.11693	15.3
127.11176	4.3
136.07555	3.3
137.07903	19.0
137.09529	1.9
137.13208	3.4
139.11163	2.3
155.08536	1.0
165.07413	11.0
165.12706	1.6
165.16388	3.6
166.48776	1.1
183.13853	5.1
183.17403	21.2
193.23627	0.9
203.22646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77314	0.3
67.16402	0.3
71.26849	0.4
75.06335	0.3
82.99821	3.0
85.00085	0.3
101.00864	31.2
102.00958	1.1
119.01900	100.0
120.01977	3.0
121.02354	0.7
122.54308	0.3
124.02455	2.2
137.02934	23.5
138.02998	1.1
142.03476	18.9
143.01921	0.5
143.03624	1.5
144.03288	0.4
160.04550	5.0
161.02942	7.9
161.04645	1.6
179.03983	9.5
179.05518	0.5
184.04553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.05518	1.2
56.28124	1.1
56.96557	5.4
57.03424	1.7
57.09529	1.3
60.08155	4.9
67.05492	3.3
68.05821	1.9
69.03417	3.7
70.06573	8.8
70.75379	1.9
71.07374	2.9
73.02881	1.8
77.03929	2.9
79.05479	20.3
80.05021	4.6
80.95037	1.3
81.03402	4.1
81.07018	2.1
82.05687	1.5
82.99834	2.4
84.04506	4.8
85.02876	1.6
86.03542	1.9
86.09695	27.1
87.76703	1.1
91.05479	8.1
92.05758	1.3
93.05727	1.3
93.07050	4.3
94.06560	5.7
94.07399	1.8
94.82303	1.3
95.04961	15.2
95.06896	1.4
95.36837	1.2
96.04498	1.8
96.05292	5.3
96.07218	1.4
97.02871	3.2
97.05618	2.7
98.97604	2.8
98.98457	5.7
99.97889	1.4
100.03966	1.8
101.00857	27.5
102.00954	1.4
104.04277	1.9
104.04980	35.5
104.10741	4.3
105.03384	4.2
105.04523	5.3
105.05323	9.7
106.04971	2.1
106.05661	13.3
106.06546	15.6
107.03958	2.5
107.05001	3.0
108.04468	4.2
109.06497	1.4
110.05002	1.5
110.06070	2.1
110.06832	1.4
114.03008	1.5
115.02430	10.8
117.03992	1.7
118.03502	2.2
119.01907	100.0
119.05945	1.3
120.02033	4.0
121.05185	1.1
121.06497	2.8
121.07558	1.6
121.97501	1.5
122.06026	8.2
123.04424	3.8
123.06368	2.1
124.02461	1.6
124.04737	3.1
124.06606	5.2
124.99998	21.5
125.04897	6.4
127.02380	1.6
128.06210	2.0
129.06984	8.5
130.03529	2.1
131.01863	7.6
132.01888	1.4
132.04428	46.8
133.03484	5.6
133.04765	13.8
134.05032	43.7
134.06030	32.2
135.05098	1.5
136.04597	1.5
136.07555	14.1
137.01892	2.6
137.02936	36.2
137.05856	1.3
137.07921	3.7
138.03014	1.5
138.05399	1.3
138.08147	12.8
138.09163	4.0
138.53502	1.5
139.02394	3.0
139.06462	5.6
142.03493	21.7
142.07634	1.4
143.01912	5.0
145.03424	6.4
147.01369	2.2
149.07051	2.2
150.05510	5.6
151.05208	1.7
152.06003	12.8
152.07100	1.8
154.08640	2.3
156.05038	2.3
156.08040	3.9
156.09131	4.6
157.03455	25.0
157.06427	5.9
160.04530	22.2
161.01062	1.3
161.01511	1.4
161.02945	20.5
161.04312	2.1
164.07080	5.8
166.07549	11.8
166.08658	21.4
173.02879	1.3
175.03127	1.6
175.04501	8.3
179.03934	9.9
184.04611	18.8
184.07350	25.7
184.08647	25.6
184.09813	10.2
184.13150	1.3
185.02937	15.6
185.04488	2.2
185.06046	4.5
202.05573	10.6
203.04010	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	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.26880	0.6
56.05023	1.6
58.06596	1.2
60.08156	18.7
69.84790	2.0
70.06547	0.6
71.07362	11.9
71.95249	1.0
74.10162	0.5
86.09696	100.0
87.10032	1.5
92.19416	0.5
93.63799	0.6
98.23394	0.9
98.98457	20.5
101.95017	13.5
102.96862	2.0
102.98896	0.6
104.10730	4.7
107.06072	1.1
109.73174	0.6
119.01929	0.6
119.96062	6.8
120.01949	0.7
120.97919	1.2
121.07631	0.9
124.99989	84.0
137.97076	5.4
138.98898	0.9
143.01030	1.4
149.07108	1.7
155.98112	2.0
160.98683	1.4
161.04710	1.7
167.08147	1.5
168.41875	0.6
178.99747	1.5
184.07320	98.1
185.07663	1.0
185.09258	0.9
186.33598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05025	1.6
56.96552	1.2
58.06604	0.9
60.07864	1.1
60.08160	18.3
69.99717	1.8
70.06589	0.8
71.07367	12.7
71.95242	1.3
86.09695	100.0
87.10044	1.2
98.98457	19.9
101.95020	17.5
102.96900	1.3
104.10744	4.1
107.06061	1.0
119.01875	1.1
119.96057	10.4
120.01965	1.0
120.97886	1.5
121.07603	1.6
124.99990	82.5
137.97089	8.4
138.98940	1.7
142.03531	0.7
142.97627	0.5
143.01001	1.2
143.03575	1.1
149.07080	1.9
155.98145	2.1
160.04510	0.6
160.98656	2.2
161.04689	1.9
162.00439	0.6
167.08148	1.0
178.99756	1.0
179.05675	1.2
181.42665	0.7
184.07321	90.4
184.16866	0.6
185.09222	0.7
197.00743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17752	0.4
65.03944	0.8
68.99774	0.5
69.07059	0.6
69.78882	0.4
70.77813	0.8
81.03406	1.4
86.09698	0.7
95.04962	3.7
96.05297	1.0
97.02896	0.9
97.66239	0.4
98.03670	2.7
98.98463	1.3
101.95031	1.8
109.02879	3.8
111.04431	1.2
115.05463	0.7
119.01899	3.2
119.06078	0.6
119.96079	1.0
120.97876	0.7
121.07555	0.9
123.04416	5.7
124.04701	0.6
125.00005	0.8
125.02319	0.6
125.05987	2.5
126.03125	10.7
129.07076	0.5
137.02223	2.4
137.07089	0.6
137.97093	0.9
138.09068	0.4
139.03900	1.0
139.68939	0.5
141.05450	59.4
142.05801	0.8
149.07082	1.8
153.05447	2.3
154.02589	14.0
154.06252	0.8
155.03397	0.5
156.07353	1.3
161.04649	0.8
166.08591	0.5
167.08125	0.7
169.04941	100.0
170.05290	2.3
175.42128	0.4
184.07292	85.1
184.17009	0.4
185.06041	0.6
185.07605	1.9
185.09224	0.6
203.57640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74936	67.5
58.52589	60.8
70.56190	100.0
74.96083	71.5
142.55023	73.2
197.89554	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	185.0594
Annotation	Dibenzo-p-dioxin
Peak:m/z	Relative Intensity
54.71279	0.1
55.01866	1.8
69.07085	0.2
69.99474	0.3
69.99836	0.3
74.35561	0.2
88.66291	0.2
95.06122	0.2
102.96862	0.6
107.06066	0.6
110.76719	0.1
115.05432	7.2
116.05769	0.2
117.06997	0.2
119.06048	0.2
120.97871	0.2
121.07603	0.9
123.05541	0.2
127.05457	0.4
128.06201	11.9
129.06985	25.2
130.07333	0.6
131.06001	0.3
137.07106	0.3
138.98993	0.3
141.06956	0.4
142.07803	0.2
143.04906	4.7
143.06750	0.2
143.08566	0.4
145.06416	1.3
145.27531	0.2
149.07068	1.1
155.06021	1.9
157.06461	9.6
157.08336	0.9
157.10112	0.3
158.06819	0.2
161.07910	0.2
167.08118	0.7
170.10823	0.2
185.05948	100.0
186.06288	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	185.0596
Annotation	2-Hydroxydibenzofuran
Peak:m/z	Relative Intensity
55.01880	1.1
59.05002	0.5
68.99802	0.5
69.07098	0.5
70.06605	1.4
70.83072	0.8
71.04976	2.6
77.03947	0.5
79.05495	1.1
81.07043	1.8
83.04960	0.6
86.09700	0.9
91.05455	0.5
93.07065	1.6
94.35525	0.4
95.06053	0.8
95.08601	1.3
102.44479	0.4
102.96872	0.8
103.05488	0.5
107.06106	2.7
107.08587	2.3
111.04420	0.8
111.05585	0.8
115.05442	9.6
117.07016	0.4
119.06079	1.3
120.02040	0.6
121.00790	0.7
121.07627	4.5
121.10129	4.9
122.06017	0.8
123.05525	0.6
123.11703	1.6
123.28100	0.4
125.09609	0.5
126.05513	0.6
127.05392	0.9
128.06210	30.1
129.06989	100.0
130.07295	2.1
131.05009	0.6
131.05998	0.8
137.07091	1.1
139.01823	0.6
139.05402	2.1
139.11156	1.7
140.07060	0.6
141.06978	12.9
143.04877	2.5
145.06496	3.5
149.07083	5.1
150.05469	0.5
155.04871	0.8
155.06026	6.5
157.06471	52.8
158.06822	1.4
163.01784	0.8
167.04897	0.7
167.08176	2.8
167.10681	0.6
181.02846	1.3
185.05928	79.1
185.09354	1.8
186.06319	2.6
193.52545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03935	2.0
54.68752	1.1
55.01854	2.0
55.05505	8.0
56.96550	2.2
57.07061	2.2
59.04990	12.0
60.76535	1.1
67.05497	12.6
68.99778	1.8
69.03407	5.3
69.07061	9.9
70.06570	2.4
71.04982	37.5
72.08143	1.6
72.95139	1.2
79.05482	17.1
81.07045	55.9
83.04968	5.5
83.08569	1.9
85.06528	1.6
86.09665	1.7
91.05467	5.2
93.04503	2.2
93.07031	24.9
95.04947	11.7
95.06062	2.6
95.08585	19.5
97.02867	1.3
97.06518	16.7
97.10140	2.4
101.06007	2.4
102.96851	3.5
105.04517	1.8
105.07006	13.1
107.04940	1.9
107.06042	10.9
107.08578	15.3
108.01497	1.3
109.06468	2.2
111.04428	4.1
111.08034	3.5
115.05452	2.8
119.06050	5.8
119.08630	2.2
120.06752	1.6
120.97890	3.2
121.00730	1.8
121.06646	2.3
121.07633	14.5
121.10126	100.0
122.06004	2.4
122.10483	3.7
123.04436	4.4
123.05514	2.3
123.08073	3.6
123.11681	24.2
125.05968	16.1
125.06815	2.1
125.09593	6.7
128.06207	20.3
129.06982	36.8
131.06035	2.3
131.08572	1.7
133.07515	1.4
137.07076	4.7
139.03876	3.1
139.11160	36.0
141.06940	2.0
145.06436	3.0
149.07063	15.9
149.09584	12.4
151.03888	2.5
153.05467	1.4
155.05977	4.5
157.06471	28.6
163.01797	2.2
167.08195	7.7
167.10667	15.3
179.00107	2.4
181.02827	2.2
185.05936	32.1
185.09225	5.6
185.11662	5.5
185.13124	1.4
186.07698	1.7
186.11281	1.9
197.01202	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	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03941	0.7
55.05505	1.3
57.07067	2.1
57.29017	0.8
59.04995	7.4
65.03922	0.9
65.69323	0.9
67.05484	4.7
69.03422	1.6
69.07052	3.5
71.04982	47.7
71.44946	0.8
79.05476	16.9
81.07044	42.8
83.04963	1.9
91.05457	6.7
93.07034	21.4
95.04957	2.6
95.08589	15.9
97.06516	10.8
97.10119	0.9
102.96891	1.0
105.07004	8.4
107.04935	3.0
107.06068	2.3
107.08576	31.2
108.08907	1.1
109.06514	2.6
109.10132	1.4
111.04438	1.1
111.08076	3.4
115.05445	1.2
115.58534	0.9
119.06065	2.5
119.08504	1.1
121.07683	4.1
121.10123	100.0
122.06106	0.8
122.10478	2.2
123.05555	1.4
123.08029	1.8
123.11684	24.3
125.05975	15.2
125.09618	4.5
128.06190	4.8
129.06984	10.1
133.07634	1.4
137.07082	1.4
139.11159	30.9
140.11507	1.6
141.06976	1.5
144.08066	1.7
149.07034	4.0
149.09595	6.6
153.01765	1.6
155.06004	1.2
157.06461	6.3
167.08261	1.9
167.10641	14.9
181.02921	1.6
185.05930	6.7
185.09247	1.1
185.11739	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	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
55.01873	2.7
55.05514	4.8
55.34193	2.4
64.55421	2.4
67.05495	10.0
69.07047	5.9
69.10650	13.6
74.41395	2.3
79.05483	30.7
81.07047	51.8
82.79823	2.6
86.55096	2.1
91.05470	15.6
93.07031	74.8
94.22762	2.1
95.04974	6.2
95.08608	18.7
97.06504	7.4
97.93125	2.0
98.22697	4.7
102.96845	5.1
103.05466	2.6
105.07035	17.4
107.06050	5.5
107.08586	8.9
107.85580	2.5
109.06501	6.0
111.04384	2.3
119.06061	3.3
119.08573	3.7
120.97881	2.6
121.07632	6.2
121.10130	100.0
123.11684	9.7
125.05944	6.2
129.07016	4.1
131.06013	3.7
131.08569	6.8
137.07094	3.6
139.11166	9.2
142.07736	2.7
149.07085	9.6
149.09607	7.4
157.10100	2.9
167.08199	3.7
167.29630	2.2
171.13696	2.4
185.05898	2.5
185.09245	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	185.1171
Annotation	alpha-Campholonic acid
Peak:m/z	Relative Intensity
51.53283	1.8
55.01855	2.6
55.05503	50.5
57.03413	9.8
57.07068	8.3
58.43204	1.9
59.05002	2.2
61.02940	2.2
66.28355	1.9
67.05493	27.9
69.03414	24.0
69.07058	83.0
69.07438	4.3
69.09756	15.1
70.92228	2.4
71.04990	9.1
71.08625	33.6
73.06549	2.6
77.85903	1.9
79.02985	2.2
79.05482	42.9
81.07044	34.1
83.04971	58.3
83.08622	4.6
85.06512	3.9
87.04456	33.4
91.05476	3.2
93.04516	3.0
93.07030	58.3
95.04939	2.4
95.06105	6.9
95.08592	48.4
96.08920	1.9
97.06514	25.2
97.10152	34.2
99.08082	11.7
99.31928	2.3
101.06009	7.1
102.96873	11.5
107.06070	18.0
107.08601	4.3
108.06814	2.4
111.04453	6.0
111.05569	6.3
111.11714	5.5
115.03942	6.2
116.05756	2.8
119.06059	10.2
120.97907	8.2
121.01656	2.9
121.07630	22.3
121.10126	40.1
122.06018	5.0
123.05564	7.1
123.11782	1.9
126.05527	3.8
128.06178	11.2
128.07066	2.1
129.06981	28.8
131.06026	4.8
137.07106	9.1
138.98973	9.9
139.01819	4.2
139.11162	92.1
140.07074	2.8
140.11534	3.2
142.07811	3.0
143.08546	2.8
144.03342	2.4
149.07077	33.8
157.06488	17.4
157.10233	4.8
157.12221	100.0
163.01785	2.3
165.09669	2.3
167.08154	20.3
168.06570	4.8
170.10881	3.8
181.02930	4.3
185.05803	15.1
185.07465	3.6
185.09265	13.8
185.11732	10.5
185.13206	6.2
186.07605	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	187.0752
Annotation	(+/-)-trans-Acenaphthene-1,2-diol
Peak:m/z	Relative Intensity
53.92354	0.4
54.38623	0.5
55.01851	1.5
56.96546	0.7
57.39400	0.4
58.06572	0.5
65.03909	0.7
67.05480	0.8
68.99769	1.1
69.03420	0.9
70.06602	0.7
70.28966	0.5
71.01343	1.3
81.03403	0.8
81.07048	0.6
84.08120	1.6
85.01107	1.9
88.02193	1.5
90.93882	0.4
91.05468	11.3
98.97509	0.7
103.02126	0.6
103.05447	1.3
105.03383	1.0
105.06989	0.8
109.02898	0.5
112.02161	1.4
115.04625	1.1
115.05437	19.9
116.04947	0.7
116.06263	2.4
116.98556	0.9
117.05714	1.5
117.06999	13.8
118.06503	2.1
119.01909	1.0
127.03893	2.2
128.06204	2.5
128.07002	0.6
129.06981	5.5
130.06544	2.4
130.07541	0.4
131.04918	5.7
131.07500	0.8
131.08545	23.5
132.08072	4.2
132.08961	0.7
133.06500	0.7
140.01608	1.6
140.04883	0.6
141.06963	48.0
142.06433	4.3
142.07431	0.8
142.08675	0.5
143.08507	0.5
144.05644	4.0
145.06451	2.6
147.04388	4.2
155.03351	1.4
157.01894	0.8
159.04367	3.0
159.06818	2.9
159.08032	10.4
160.05148	0.6
160.07529	10.5
161.05980	1.0
168.05600	0.9
169.06447	17.5
170.02695	5.8
170.05954	1.4
170.07167	1.3
170.11771	1.2
179.06038	0.8
186.06693	1.1
187.07509	100.0
187.14435	1.8
188.03731	43.6
188.06825	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	187.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
55.01859	1.1
55.05497	1.3
57.07043	0.8
59.04994	0.7
67.05488	1.4
68.99779	1.4
69.03419	1.1
69.07056	2.6
70.37329	1.4
71.01342	1.1
71.04981	4.2
79.05466	3.1
81.03423	1.2
81.07047	16.6
83.04977	0.9
83.08604	1.3
84.90800	0.6
88.02209	1.9
89.83402	0.5
91.05464	14.4
93.07018	1.6
95.04958	1.1
95.08588	1.3
97.06504	1.0
97.51917	0.8
99.08047	1.2
103.05421	3.1
105.03381	1.2
105.07034	1.7
107.08572	2.6
108.08936	0.8
109.10124	3.1
111.11706	1.1
115.05445	16.6
116.06204	3.0
117.07000	11.8
118.06493	1.7
119.26296	0.7
123.08099	0.8
123.11696	5.2
128.06215	4.4
129.06985	6.5
131.04921	5.8
131.05833	1.1
131.08548	21.9
133.10083	0.7
133.30598	0.7
139.11136	1.1
141.06969	39.6
141.67700	0.6
142.07372	0.9
144.05673	11.0
144.08057	0.8
145.06503	3.1
145.10092	2.0
146.05966	3.6
147.04330	1.2
151.11130	2.1
155.03300	0.8
155.05986	0.7
159.04395	3.9
159.08040	14.5
159.11604	2.0
161.05917	1.4
168.05626	0.7
168.24455	0.7
169.06450	14.8
169.12236	1.0
170.07204	1.8
172.05167	8.3
172.08792	1.0
186.06796	1.4
187.03993	2.0
187.07515	100.0
187.11079	2.7
188.07796	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	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.34064	0.3
51.51943	0.3
51.99940	0.3
55.05504	0.5
55.31373	0.3
57.43276	0.3
58.06590	0.3
59.00518	0.3
67.05493	0.8
69.03417	0.4
79.05482	0.4
81.03417	0.3
81.07063	0.6
83.04958	0.3
83.08623	0.7
85.06534	0.3
86.09675	0.4
87.04456	0.3
88.02209	2.3
91.05476	1.8
93.07030	0.3
103.05459	0.4
105.07024	0.8
109.07623	0.8
109.10163	0.9
115.05450	2.2
116.06224	2.4
117.07006	0.6
119.08585	0.5
123.06350	0.5
127.03894	0.9
128.06206	1.2
128.07047	0.3
129.07022	2.0
131.04979	0.4
131.08554	2.8
133.10097	0.6
141.06978	1.5
144.05688	50.2
145.06136	1.1
145.10088	1.2
151.11172	0.3
155.03453	0.5
155.04907	0.7
156.05714	1.4
157.06467	0.5
157.10057	0.4
159.04346	0.4
159.06914	0.9
159.08066	5.2
159.11589	0.6
169.09904	0.3
170.11615	0.4
172.05177	48.1
173.05560	1.4
186.18532	0.4
187.07521	100.0
187.14813	1.8
188.07883	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	187.0752
Annotation	(+/-)-trans-Acenaphthene-1,2-diol
Peak:m/z	Relative Intensity
51.02386	0.7
55.01859	1.1
55.05497	1.3
57.07043	0.8
59.04994	0.7
67.05488	1.4
68.99779	1.4
69.03419	1.1
69.07056	2.6
70.37329	1.4
71.01342	1.1
71.04981	4.2
79.05466	3.1
81.03423	1.2
81.07047	16.6
83.04977	0.9
83.08604	1.3
84.90800	0.6
88.02209	1.9
89.83402	0.5
91.05464	14.4
93.07018	1.6
95.04958	1.1
95.08588	1.3
97.06504	1.0
97.51917	0.8
99.08047	1.2
103.05421	3.1
105.03381	1.2
105.07034	1.7
107.08572	2.6
108.08936	0.8
109.10124	3.1
111.11706	1.1
115.05445	16.6
116.06204	3.0
117.07000	11.8
118.06493	1.7
119.26296	0.7
123.08099	0.8
123.11696	5.2
128.06215	4.4
129.06985	6.5
131.04921	5.8
131.05833	1.1
131.08548	21.9
133.10083	0.7
133.30598	0.7
139.11136	1.1
141.06969	39.6
141.67700	0.6
142.07372	0.9
144.05673	11.0
144.08057	0.8
145.06503	3.1
145.10092	2.0
146.05966	3.6
147.04330	1.2
151.11130	2.1
155.03300	0.8
155.05986	0.7
159.04395	3.9
159.08040	14.5
159.11604	2.0
161.05917	1.4
168.05626	0.7
168.24455	0.7
169.06450	14.8
169.12236	1.0
170.07204	1.8
172.05167	8.3
172.08792	1.0
186.06796	1.4
187.03993	2.0
187.07515	100.0
187.11079	2.7
188.07796	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	187.0751
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
66.22711	0.3
67.05495	0.4
68.73016	0.2
71.04988	0.3
73.02883	0.2
81.07047	0.6
88.02207	0.4
88.18813	0.3
91.05463	2.0
95.04961	0.4
95.08579	0.6
105.06961	0.3
109.10146	0.6
115.05424	2.3
116.06210	2.3
117.07005	0.5
127.05421	0.4
128.06187	1.1
129.06985	2.0
131.04926	0.3
131.08542	1.6
136.23532	0.3
141.06978	1.9
144.05673	48.6
145.06209	0.9
145.10059	0.4
155.04893	0.5
155.06020	0.5
156.05687	1.1
157.06387	0.4
159.06783	0.4
159.08035	6.5
172.05161	46.9
173.05521	1.2
187.07504	100.0
188.07881	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05474	1.4
61.02914	1.7
69.66550	2.5
69.66902	2.7
70.06563	1.5
80.92943	1.2
81.03405	1.7
82.06525	1.4
83.08612	2.3
84.04493	17.4
85.02887	3.1
87.04424	1.9
88.02205	9.2
88.07610	10.0
91.05465	13.1
94.61951	1.3
103.03249	1.5
103.05486	1.4
109.07645	1.6
115.05453	3.9
116.06218	9.2
117.07027	2.6
119.08525	2.2
126.05494	1.6
127.03790	1.3
127.05457	1.1
128.06198	11.3
128.07042	2.5
129.06984	16.8
131.04892	3.3
131.08537	14.1
144.05684	30.6
145.06471	4.3
145.10114	13.4
147.07951	1.6
155.04871	1.8
155.06013	4.1
156.05646	7.2
159.06946	4.0
159.08038	63.4
159.11658	4.2
172.05165	18.2
186.18504	1.9
187.07521	100.0
187.14807	10.1
188.07767	1.7
188.09325	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	187.1327
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
55.01867	2.3
55.05504	10.5
56.54943	1.4
57.03431	4.1
57.07065	4.6
59.04987	1.6
65.03920	1.6
67.05493	63.3
69.03416	3.3
69.07047	10.0
71.04980	73.0
79.05473	18.7
81.07043	55.3
83.04974	5.3
83.08611	2.9
85.06528	100.0
88.02197	6.0
91.05465	44.1
93.07018	19.1
95.04951	4.1
95.08597	6.7
97.06532	4.7
105.07011	47.1
107.08574	34.8
109.06497	8.8
109.10133	57.9
111.08067	3.3
115.05460	11.1
116.06214	3.1
117.07019	2.3
118.06522	12.7
121.10138	1.8
123.08060	2.0
123.11694	10.1
125.09593	2.2
127.07545	1.8
128.06235	2.3
129.06984	4.3
131.04903	1.8
131.08539	9.9
132.08060	2.6
133.10104	77.6
139.11143	1.8
141.05753	1.5
141.06956	2.9
142.06505	10.5
143.08563	1.9
144.05666	10.8
144.08070	4.2
145.06493	2.4
145.10123	6.7
146.05983	20.8
147.04364	1.8
151.11154	37.9
159.06987	2.7
159.08069	8.7
159.09157	1.8
159.11700	6.6
169.07658	3.8
169.12227	15.6
170.05998	29.0
172.05168	5.6
187.07495	32.0
187.08992	2.5
187.11099	5.8
187.14804	5.5
188.07014	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	187.1328
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
53.03936	1.8
55.01857	2.0
55.05509	9.6
57.07064	6.6
59.04983	2.7
62.12816	1.6
67.05495	69.2
69.03402	3.6
69.07041	8.6
71.04981	68.7
77.03898	2.1
79.05479	19.1
81.07047	63.1
83.04960	6.5
83.08596	4.1
85.06529	100.0
87.04421	1.8
88.02186	8.3
91.05460	49.1
93.07033	22.1
95.04951	3.6
95.08601	7.1
97.06514	4.0
104.03960	2.5
105.06338	3.6
105.07015	46.2
107.08575	36.8
109.06513	9.6
109.10137	67.6
111.08061	3.0
113.05946	2.9
115.05420	13.7
116.06210	3.6
117.07022	4.3
118.06512	20.0
119.08605	1.8
123.08047	2.7
123.11686	9.9
128.06223	3.2
129.06975	3.9
131.04898	1.9
131.08582	10.9
132.08086	2.7
133.10110	78.1
134.10474	3.2
137.56422	2.0
141.06976	4.1
142.06520	12.9
143.07304	3.2
143.08490	2.1
144.05687	11.9
144.08113	9.7
145.06454	3.3
145.10118	7.4
146.05980	27.0
151.11151	38.5
156.24225	1.9
159.06984	2.5
159.08035	12.1
159.09190	3.4
159.11601	4.7
160.07487	2.6
163.03842	1.9
169.07570	5.6
169.12225	12.6
170.05977	34.1
172.05171	7.4
187.06003	2.4
187.07541	33.9
187.11125	9.4
187.14803	7.3
188.07007	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05831	2.2
54.79200	2.2
55.05515	11.0
57.03416	2.9
59.04990	5.7
67.05502	100.0
69.59090	8.6
71.04989	3.1
81.07056	13.3
83.08607	15.3
85.06554	4.1
87.83803	2.0
88.02212	35.7
88.02724	4.2
91.05464	5.3
93.07040	3.3
93.23561	1.9
95.08592	5.2
104.99268	12.2
105.03435	2.4
105.94270	2.5
107.55959	2.5
109.07619	3.1
109.10152	83.7
111.08074	2.2
113.00006	3.5
119.08549	4.0
131.08577	2.8
137.09656	3.3
145.10117	2.7
159.06947	7.4
169.09839	3.7
173.11705	13.4
186.22150	8.2
187.11026	2.5
187.12659	6.5
187.14607	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.06013	1.0
51.28355	1.0
51.82130	1.0
52.45745	1.1
53.77816	1.3
55.05493	2.6
57.07055	4.6
58.09236	1.2
67.05503	9.8
69.07055	4.4
69.91220	1.0
79.05490	7.1
81.05776	1.2
81.07043	5.8
83.08604	3.7
86.31273	1.2
87.25703	1.2
88.02206	13.1
91.04934	1.9
91.05466	21.4
93.07038	5.7
95.08588	3.9
103.05440	1.8
105.07011	22.5
107.08582	3.5
109.07645	1.6
113.80875	1.1
117.06998	21.5
119.08565	15.4
121.10108	2.2
129.07001	3.7
129.32790	1.2
130.07773	3.6
131.08553	61.4
132.08865	1.4
133.10124	4.2
140.57861	1.0
143.08531	4.6
144.09326	2.5
145.10104	90.1
146.10445	1.8
159.06958	3.5
159.11671	14.4
185.13287	2.0
185.94029	1.2
186.22130	2.1
187.06375	1.9
187.11052	4.1
187.14795	100.0
188.15082	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05499	4.9
57.07063	7.7
67.05479	9.8
69.36319	14.4
79.05504	5.1
79.09115	2.7
81.07049	7.3
83.08609	12.6
88.02207	37.0
91.05475	22.3
93.07030	4.3
95.06100	3.3
105.07021	21.0
109.07678	5.2
117.06992	19.5
119.08572	16.0
127.64228	2.9
129.06990	5.5
131.08551	56.8
131.09552	2.1
142.72870	3.2
143.08560	6.4
145.10101	85.5
159.06960	8.9
159.11664	8.6
161.75427	2.8
168.81699	2.8
186.22087	5.5
187.11174	5.0
187.12631	6.3
187.14801	100.0
187.22482	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	188.0704
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
59.63231	0.3
71.01326	0.4
75.57422	0.3
78.07968	0.3
79.05512	0.3
80.33262	0.3
81.07030	0.6
82.06625	0.4
91.05461	2.0
100.07579	0.5
103.05414	0.3
104.05779	0.7
104.90808	0.3
105.07021	2.1
115.05432	5.3
116.04893	0.4
117.05753	2.9
117.07008	1.1
118.06528	8.4
118.07309	0.5
124.40895	0.3
128.04947	3.7
130.06512	5.5
131.04900	0.5
131.07300	2.8
132.08066	6.7
132.08931	0.5
133.06448	1.1
142.06470	3.1
142.07341	0.6
142.08698	0.4
143.07239	0.8
144.08031	1.4
145.05203	7.4
145.06285	0.7
146.05978	12.7
146.07129	0.7
147.04381	0.7
147.06329	0.4
158.05942	1.6
159.06773	10.1
160.05005	0.8
160.07516	12.2
161.05930	1.2
170.05974	14.5
171.04350	0.5
174.06764	0.7
188.07019	100.0
189.05565	0.6
189.07329	2.6
189.09091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.60588	0.3
54.87929	0.3
67.78512	0.4
69.53046	1.0
91.05464	4.4
115.05433	5.2
117.05740	1.6
117.07003	3.7
118.06524	62.5
119.06857	1.1
128.04921	0.4
132.08083	0.4
142.06514	5.4
143.07281	10.8
144.04430	0.8
144.08064	23.9
145.06465	0.8
145.08412	0.4
146.05983	100.0
147.06313	1.4
155.05992	0.9
160.07509	1.3
170.05991	9.3
188.07036	18.7
208.66920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27237	0.3
70.69195	0.6
74.51761	0.4
91.05466	4.7
103.05415	0.4
115.05441	6.0
116.04977	0.6
117.05754	1.5
117.07008	4.9
118.06526	74.6
119.06850	1.7
128.04956	0.5
129.34062	0.3
132.08063	0.5
141.80521	0.3
142.06508	6.2
143.07291	13.2
144.04446	0.8
144.08070	24.7
145.06477	0.7
146.05986	100.0
147.06329	1.5
155.06004	1.5
160.07523	1.3
170.06000	9.0
188.07042	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	188.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05482	0.2
57.07069	1.5
60.04517	0.5
69.03445	0.3
70.60011	0.4
70.60384	0.5
72.04510	0.3
81.07064	0.4
82.79723	0.3
84.04488	0.3
86.06053	1.2
86.09694	100.0
87.10023	1.1
91.05466	1.1
94.40970	0.3
100.07596	0.3
105.07004	2.0
115.05460	0.5
116.10722	0.8
117.05753	0.3
118.06556	0.5
119.04932	1.3
119.08575	1.9
128.06219	0.6
128.10699	34.1
129.06984	0.9
129.11049	0.5
130.06549	0.3
131.04890	0.6
131.08597	0.6
132.08104	0.4
133.10123	0.9
142.06557	0.6
143.08557	0.4
145.06395	0.5
145.10133	0.4
146.06029	1.2
146.07138	0.4
146.11737	16.8
146.91702	0.3
147.08052	0.4
147.11639	0.3
156.09351	1.1
157.06445	0.3
158.26524	0.3
159.08084	0.8
160.07460	0.5
160.08653	0.4
161.05986	1.2
161.09612	1.2
161.13245	0.4
164.22707	0.3
170.05963	0.5
170.11737	15.9
171.11736	1.0
173.05675	0.3
174.06775	1.2
174.10344	1.2
188.07095	1.6
188.09325	0.4
188.12798	1.2
189.05484	0.4
189.09015	2.3
189.12717	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	189.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	20.8
55.05492	1.5
56.05032	2.4
56.96561	2.5
57.03430	25.0
57.04554	6.0
58.06592	3.2
59.04995	3.9
60.07863	1.6
60.08158	26.0
67.05501	2.4
69.03415	1.3
69.73805	1.6
70.06583	63.1
71.01347	14.0
71.04970	4.6
72.04514	7.2
72.08141	6.0
73.02913	9.4
73.21902	0.9
74.07195	20.4
75.04472	1.1
83.01340	4.6
83.84735	0.9
84.04490	1.3
84.08133	100.0
84.99255	1.0
85.02895	2.7
85.06527	2.6
85.08530	1.0
86.09695	0.8
87.00787	1.1
87.04459	19.2
88.07630	1.9
89.02379	2.4
91.05489	1.2
95.01321	3.7
100.07604	96.4
101.00873	5.9
101.02361	37.6
103.03918	3.7
105.07010	1.1
110.74084	0.9
111.00813	4.8
112.08717	1.8
113.02361	2.4
115.03922	30.8
115.08691	3.3
116.07076	24.9
119.01906	25.1
126.10267	0.9
127.03874	1.1
129.01820	11.2
129.07033	0.8
129.10222	2.1
130.08623	37.2
131.03381	1.4
133.09775	1.3
137.02914	6.0
143.01936	2.9
143.03387	3.3
144.11299	11.5
144.13802	3.0
146.05997	2.3
157.01317	31.0
157.02609	1.8
158.09256	3.8
159.01355	1.7
161.02943	10.6
172.09512	1.2
172.10793	3.5
175.02368	3.3
177.02457	3.5
189.04047	2.0
189.06227	0.9
189.12097	3.4
189.13474	17.0
189.15994	15.7
190.14417	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.00217	0.7
55.05491	1.9
57.03424	1.1
65.03936	0.9
67.05476	2.2
67.35181	0.9
68.99766	0.9
69.59045	3.3
70.06602	0.8
79.05473	2.7
81.07040	3.4
85.02903	5.2
91.05474	24.7
93.07023	2.8
95.04983	1.1
95.08587	3.6
98.23415	1.8
103.05444	2.6
105.03381	3.4
105.07028	12.4
107.04964	5.0
107.08571	3.0
109.10138	2.1
115.05434	2.0
116.06239	1.6
117.06992	2.3
118.04183	5.0
119.04932	10.4
119.08582	8.9
121.06482	9.2
128.06215	12.4
129.06992	29.6
130.07806	1.1
131.04893	6.2
131.08557	5.0
132.05669	1.4
133.02827	12.8
133.06459	3.5
133.10117	10.9
143.08560	1.3
144.05692	2.9
145.06456	3.7
146.03551	1.0
146.07253	16.9
147.04346	1.4
147.08028	4.0
147.11667	6.0
148.05173	100.0
149.02386	0.8
149.05550	1.9
155.05997	2.4
156.09341	1.0
157.02875	0.9
157.06470	17.6
158.07230	1.3
159.04381	1.8
159.07996	1.8
160.08752	0.8
161.05962	29.6
161.07332	1.8
161.09601	40.5
161.13284	1.1
162.09908	1.2
171.11656	1.7
174.06746	11.5
175.50282	0.8
189.09076	41.0
189.12689	2.9
189.14117	1.0
189.14746	1.2
189.16348	11.7
190.06253	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0908
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01865	3.2
55.05523	0.8
62.44559	0.5
67.05486	0.9
68.99809	0.9
69.68309	2.2
79.05492	2.6
82.51524	0.5
91.05474	7.9
91.70089	0.6
93.07030	0.6
95.04950	1.1
98.10668	0.6
103.05431	0.9
104.06217	0.7
105.03364	2.8
105.07008	8.3
107.04944	2.0
115.05430	9.6
117.07005	2.4
119.04942	2.0
119.08562	10.9
121.06499	2.0
123.04417	2.4
128.06204	6.5
129.06961	1.5
131.04893	5.9
131.08487	0.5
132.05701	5.8
133.06462	9.7
133.10086	3.5
143.04912	2.0
143.08533	11.2
145.06453	2.2
146.07234	6.2
147.04387	6.9
147.08032	1.6
148.05124	1.7
157.06358	0.6
158.71725	0.7
159.07896	0.7
160.05167	100.0
161.05945	70.1
161.08028	0.9
161.08272	0.8
161.09578	11.4
162.06287	1.7
171.08020	2.7
173.05971	1.2
174.06725	28.7
175.07088	1.2
189.09064	99.3
190.09392	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	189.0908
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.54855	0.8
54.07763	1.0
55.01853	2.5
55.05511	1.2
65.23867	0.8
67.05482	1.2
67.68325	0.9
68.99767	1.7
69.03403	1.1
70.06557	1.0
72.08161	1.2
79.05473	4.2
84.08121	1.0
86.09714	1.3
91.05459	7.7
93.07011	1.1
95.04951	1.3
98.97585	1.5
104.06309	0.9
105.03347	2.4
105.07008	10.2
107.04945	1.8
115.05435	14.5
116.05772	3.1
116.98537	1.7
117.06992	3.0
119.04916	1.5
119.08562	12.5
121.06493	1.0
123.04373	3.0
125.69814	0.9
128.06223	9.6
129.06970	5.9
131.04889	5.7
131.08539	1.2
132.05684	6.1
133.06485	9.5
133.10107	3.5
133.99489	1.1
134.99686	2.0
136.20721	1.0
143.04878	3.1
143.06863	7.0
143.08537	15.3
144.08858	1.3
145.06467	2.4
145.10097	2.0
146.07214	4.3
147.04382	8.1
147.08008	1.8
148.05159	2.2
153.06937	1.0
155.06006	1.3
157.06438	1.4
160.05177	97.3
161.05949	68.7
161.09581	11.0
161.13150	1.1
162.06378	1.2
171.06403	19.7
171.07999	3.5
174.06738	21.8
189.07457	5.1
189.09059	100.0
189.12585	2.9
190.09378	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	189.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.0
55.05492	2.1
66.42891	1.3
67.05472	1.5
69.67306	4.8
79.05463	5.9
91.05466	9.4
91.96321	1.3
95.04981	2.6
103.05386	1.5
105.03366	2.5
105.07011	10.2
107.04941	1.7
113.03133	1.3
115.05446	18.0
117.07017	2.7
119.04959	1.9
119.08555	15.4
121.06474	1.7
123.04402	4.0
127.55164	1.2
128.06194	7.8
129.06963	2.0
131.04898	5.6
131.08574	1.7
132.05690	5.8
133.06493	12.2
133.10120	4.6
136.36069	1.2
143.04915	2.6
143.08531	12.1
145.06425	2.0
145.10072	1.8
146.07210	3.5
146.80597	1.3
147.04366	11.4
147.07961	1.6
147.11639	1.5
160.05174	98.9
161.05946	70.5
161.09557	10.7
161.13217	2.0
163.70580	1.4
171.04340	1.3
171.07967	3.7
171.11678	3.0
174.06743	26.9
189.05481	12.8
189.07402	4.7
189.09061	100.0
189.12566	7.2
190.09354	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0908
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
57.03434	0.4
60.61056	0.3
65.77881	0.3
67.05511	0.4
67.73505	0.3
69.03452	0.4
69.83607	0.7
79.05473	0.5
81.07056	0.5
91.05477	3.1
93.07048	0.5
95.04965	0.7
95.08597	0.7
103.05466	1.0
105.07017	4.1
107.04963	0.5
107.08578	0.5
115.03940	0.4
115.05447	1.7
116.06243	0.7
117.07034	1.2
118.07803	0.6
119.04937	1.1
119.08581	2.5
121.06464	0.8
121.10044	0.4
127.05386	0.6
128.06209	16.7
129.06990	47.1
130.07716	1.2
131.04909	5.6
131.08557	6.4
133.06506	1.2
133.10112	2.2
141.06963	0.6
143.08533	2.1
144.05666	0.9
145.06461	4.4
145.10098	0.8
146.03627	0.4
146.07257	6.9
146.08345	0.7
147.04384	0.6
147.08026	1.0
147.11691	1.5
148.05161	0.8
149.02353	0.6
155.06047	2.4
156.05704	1.3
156.09357	1.3
157.06474	21.2
158.07262	8.9
159.04425	3.4
159.08003	1.0
160.05203	0.4
161.05972	5.9
161.09598	9.0
161.13277	0.5
171.08031	1.2
171.11665	1.2
173.06017	1.2
174.06743	61.1
174.65759	0.3
175.07089	2.0
189.09084	100.0
189.16373	1.5
190.09450	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	189.0908
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03923	1.1
55.01872	4.9
55.05502	1.0
61.95664	0.8
67.04350	0.9
67.05492	1.3
68.99801	1.4
69.66429	1.2
69.66776	2.9
72.73076	0.8
79.05473	3.6
84.08113	0.9
91.05465	10.0
93.07006	1.2
95.04934	1.8
98.23470	1.5
98.97557	2.0
103.05402	1.0
105.03355	2.4
105.07014	13.1
107.04915	2.5
115.05432	8.3
116.05702	1.3
116.98580	1.0
117.06979	4.0
118.06548	6.3
119.01930	0.9
119.04914	3.9
119.06148	1.1
119.06867	10.2
119.08547	11.9
121.06498	1.1
123.04404	3.2
128.06201	14.0
129.06871	1.8
131.04893	6.9
131.08539	2.1
132.05684	6.0
133.06456	7.9
133.10095	11.1
143.04939	1.0
143.08543	16.6
144.07637	2.2
145.06429	3.4
145.08395	8.1
146.05968	6.6
146.07227	8.4
147.04427	12.9
147.06323	21.7
147.08043	2.9
148.05118	2.7
155.06004	1.0
157.06512	1.0
160.05170	76.3
161.05956	48.6
161.07295	2.4
161.09587	19.8
162.05409	1.6
171.06352	2.8
171.08026	4.8
173.05928	1.8
174.06737	44.6
175.06924	1.0
189.09055	100.0
190.09438	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	40.0
57.03416	56.9
57.07072	95.5
61.02902	17.2
61.14690	14.2
67.05505	22.9
69.07048	43.3
73.02901	18.8
77.79240	13.5
79.05470	34.4
81.07032	42.6
83.08611	17.4
85.02908	16.7
85.06531	44.1
87.35764	10.8
93.07047	18.0
95.08587	20.2
105.07021	25.1
111.04378	13.7
111.08097	19.7
119.08592	18.4
127.07542	100.0
133.10022	11.7
141.09067	13.1
153.09052	19.9
175.07494	17.6
189.13875	19.4
189.16382	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.6
55.49245	1.1
59.04985	1.1
65.73653	1.1
67.05492	2.3
69.03405	5.0
71.20764	1.7
79.05449	2.2
81.07030	1.0
91.05467	7.8
93.07023	2.2
95.04954	1.8
105.07006	16.9
107.08558	3.4
109.06468	1.3
115.05398	2.1
117.06977	4.8
119.08559	28.5
119.09398	1.7
121.06429	1.1
121.10144	2.3
121.35464	0.9
128.06215	3.7
129.07036	5.5
130.07741	3.6
131.04958	1.2
131.08539	7.7
133.06459	3.9
133.10101	11.0
141.06966	7.3
143.08553	5.3
144.09285	1.4
145.06444	2.1
145.10103	16.2
146.07266	2.1
146.10854	2.0
147.04369	1.3
147.08035	12.4
147.11664	26.1
155.08559	1.9
156.09314	44.4
159.08060	10.0
159.11670	10.1
160.05197	2.4
160.08830	3.4
161.05951	6.3
161.09605	8.3
161.13185	7.7
161.25084	1.1
171.11661	54.6
172.12029	1.2
174.06673	2.3
174.10381	16.0
189.05496	1.1
189.09100	10.7
189.12711	100.0
190.13016	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
52.81016	1.5
55.05503	8.4
63.21701	1.6
67.05495	6.6
69.07057	12.8
69.11685	12.1
79.05479	6.3
81.07048	17.3
84.04491	11.8
84.05295	2.0
85.02867	2.0
85.04825	8.2
91.05471	16.1
93.07050	10.4
95.08591	35.3
97.10154	1.9
98.23569	2.6
105.07018	40.1
107.08580	16.7
109.10137	9.0
110.25068	1.6
111.06318	1.7
115.05436	2.4
117.07040	2.9
119.07741	3.2
119.08571	54.0
120.34277	1.8
121.10125	8.3
124.97601	2.6
128.06236	3.2
129.07051	6.7
131.04936	3.2
131.08577	7.4
133.10107	45.9
142.98686	2.7
143.08542	2.2
145.10114	7.5
146.07198	4.7
147.04364	3.4
147.08055	3.4
147.11682	32.7
149.02312	4.3
157.06563	2.2
160.12383	2.5
161.05945	4.7
161.09628	6.3
161.13225	9.9
171.11636	2.9
174.06761	4.4
174.14087	4.2
175.03932	2.3
189.05276	3.6
189.06741	2.8
189.09058	16.8
189.12650	4.4
189.16360	100.0
190.06233	4.4
190.16631	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
51.02377	0.3
52.03165	0.4
55.01867	0.5
66.01064	0.8
69.39304	0.4
77.03935	0.2
78.04702	13.8
79.05019	0.2
93.03419	0.3
94.04173	0.2
95.04956	0.5
98.22686	0.4
102.48301	0.1
103.05456	0.2
105.03388	1.9
105.04461	0.3
106.04159	22.8
107.04484	0.3
107.15055	0.1
108.02082	3.8
129.58179	0.2
131.04924	0.6
131.47780	0.2
134.03615	29.6
135.03943	0.7
149.02336	0.5
159.04404	0.4
162.03096	100.0
163.03438	2.1
163.07448	0.3
190.02579	14.5
191.02971	0.4
191.11827	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	190.026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02368	0.4
52.03157	0.5
53.03938	0.2
55.01875	0.6
66.01070	0.5
77.03925	0.3
78.04705	12.3
93.61615	0.2
95.04951	0.7
103.05466	0.5
105.03391	1.8
105.04498	0.3
106.04167	21.3
108.02090	3.1
131.04900	2.0
134.03622	28.5
135.03958	0.6
137.70854	0.2
149.02307	0.2
159.04388	0.7
162.03105	100.0
163.03458	2.1
163.07529	0.5
190.02597	16.0
191.02972	0.5
191.07031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0496
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96548	3.4
64.72894	0.4
67.05474	0.4
71.42508	0.4
77.49719	0.4
84.08114	0.7
86.27544	0.4
86.97583	0.4
89.03897	1.1
91.05489	1.9
95.04943	0.6
98.97550	1.9
103.05447	0.7
105.06989	1.0
106.07320	0.4
107.04926	1.3
115.05457	0.6
116.04968	4.4
116.05688	0.8
116.98569	0.9
117.05765	0.4
118.06504	1.4
118.07323	0.5
119.08543	0.7
120.40920	0.4
128.04948	7.7
129.06487	0.4
130.08688	0.5
131.00111	0.7
131.04948	0.4
131.08490	0.7
134.05927	0.7
134.99614	0.7
135.04430	0.5
135.07974	0.6
144.04417	0.8
145.06523	0.6
146.05980	27.4
147.03111	0.6
147.06360	0.4
148.97298	0.6
149.01181	4.3
149.02274	0.7
160.05182	1.1
161.05571	1.8
162.05467	100.0
163.05905	2.1
163.07500	1.7
167.02267	2.0
172.03937	0.7
175.02577	1.1
175.07057	0.7
187.14667	0.4
189.09085	0.6
190.04959	33.7
190.09578	2.6
190.15886	0.4
191.06929	0.7
191.11908	0.5
191.14268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17516	0.3
69.50826	1.1
78.61837	0.3
89.03884	0.3
91.05473	3.1
101.03897	0.3
102.04668	9.1
103.05432	0.8
104.06217	0.9
104.09440	0.3
105.03331	0.4
105.07041	0.5
115.05421	2.9
116.06220	1.3
117.03336	2.2
119.04919	3.4
119.08558	0.7
121.06465	0.6
129.03358	1.1
129.04472	0.9
130.04126	9.2
131.04904	6.9
132.05690	5.3
133.10135	0.5
142.07454	0.3
143.04890	3.7
144.05676	0.8
145.02821	0.8
147.04379	56.5
147.11632	0.7
148.04726	1.2
149.05952	2.2
156.09286	0.5
157.02824	3.1
157.09720	0.3
158.03575	1.9
158.99625	0.3
159.04385	2.7
160.05174	10.6
161.05890	1.1
161.17845	0.3
162.09938	0.3
171.11649	0.6
175.03880	29.7
176.04274	0.6
189.12701	1.1
190.06213	100.0
191.06577	2.5
191.10623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17802	0.2
56.88972	0.3
59.31238	0.2
59.84539	0.3
68.70447	0.3
70.60097	0.3
71.95263	0.2
79.05500	0.4
81.07019	0.3
88.20918	0.3
89.03898	0.3
91.05455	2.4
93.07043	0.3
95.08591	0.4
101.03909	0.5
102.04671	8.2
103.05455	0.9
104.06220	0.5
105.07014	0.7
107.08578	0.9
111.87769	0.2
112.88650	0.2
115.05414	1.7
116.06213	0.6
117.03362	2.3
117.07060	0.4
119.04929	2.8
119.08566	0.3
121.10157	0.3
129.03351	1.2
129.04436	0.7
130.04134	7.9
131.04913	6.0
132.05695	5.9
132.32614	0.2
133.10095	1.9
139.63879	0.3
143.04880	3.6
144.05652	0.8
145.02788	0.6
147.04387	51.1
148.04730	1.1
149.02307	0.8
149.13258	0.2
157.02832	3.0
158.03618	2.2
159.04381	2.7
160.04010	0.4
160.05174	11.0
161.05876	1.2
163.07462	0.4
172.05040	0.4
173.13286	0.6
175.03882	27.6
176.04317	0.5
189.16310	0.4
190.06218	100.0
191.06602	2.8
191.14310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1258
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99067	0.7
55.05494	0.7
57.01584	0.4
57.07067	24.8
59.99102	5.5
62.99074	0.7
66.85188	0.4
70.53259	0.4
70.68989	0.7
78.00141	38.6
84.08138	0.8
86.09696	9.8
88.02199	0.8
92.01688	0.8
116.05339	0.6
121.02956	0.6
134.06331	47.8
135.06671	0.5
148.07916	3.5
149.02347	3.0
150.46620	0.4
150.66451	0.4
153.06474	0.4
162.05502	1.0
167.97401	0.4
190.04906	1.0
190.12572	100.0
191.12877	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	84.7
66.54920	0.5
69.03416	0.9
70.61863	1.1
71.01337	1.7
74.97588	4.7
75.04474	1.5
84.08130	1.3
85.02899	0.9
86.97598	2.5
89.34438	0.5
98.97566	28.1
100.99129	8.7
101.00854	0.6
103.03915	1.4
106.15508	0.5
110.97547	0.9
112.99103	10.8
116.98595	12.8
117.01825	0.6
119.00146	4.5
119.01882	1.5
121.01661	1.7
128.98547	0.5
129.02168	0.5
129.71509	0.5
131.00142	37.1
133.03412	0.6
134.99612	4.0
135.07980	0.6
145.03989	1.5
146.06055	1.1
146.99646	1.1
147.03297	0.8
149.01190	100.0
150.09196	0.6
150.96809	0.5
151.04442	0.7
163.02695	1.1
167.02243	29.7
172.02837	0.8
173.01198	2.7
173.02487	0.6
174.14908	0.9
185.03349	0.8
190.14365	0.7
191.02220	12.5
191.04233	1.2
191.14310	1.4
209.03281	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	191.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.7
53.03940	2.8
55.01861	1.7
56.96549	1.3
65.03918	0.6
66.61321	0.5
66.63491	0.4
67.05489	1.1
68.99776	0.8
69.03413	0.5
69.77494	0.4
69.97707	1.5
77.03912	2.6
79.01848	3.8
79.05482	22.8
80.05035	0.6
81.03394	1.2
83.00444	0.5
83.01329	11.0
89.03904	5.1
91.05458	1.6
93.07000	0.8
94.68323	0.5
95.04955	13.9
97.00711	0.5
98.22600	0.4
103.05452	1.5
105.04495	4.5
107.04940	33.2
109.02834	1.1
117.03387	2.6
118.04188	1.1
119.08591	0.5
120.08052	0.7
121.10103	0.6
131.04878	1.1
131.08551	0.7
133.10072	0.6
135.04393	50.2
135.11687	0.6
136.04713	0.8
137.02344	2.6
145.02827	2.2
145.03886	0.9
146.05972	0.6
147.04266	0.5
148.05214	1.0
149.01213	1.6
150.02792	0.5
163.03883	54.7
163.07533	1.9
164.04240	1.0
173.10713	0.7
176.04732	0.5
176.12004	0.5
190.12169	0.5
191.03365	100.0
191.08165	1.5
191.11867	4.0
191.14178	2.6
192.03746	2.9
192.08269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0336
Annotation	Ayapin
Peak:m/z	Relative Intensity
51.02370	0.9
53.03941	2.5
55.01863	2.2
56.96555	1.3
65.03938	0.5
67.05502	0.6
68.99779	0.8
71.43575	0.4
72.63912	0.4
74.76719	0.3
74.78294	0.3
77.03908	2.0
79.01841	4.1
79.05482	21.2
80.05018	0.4
81.03401	1.1
83.01328	11.0
89.03915	4.4
91.05457	1.6
93.07018	0.5
95.01340	0.5
95.04957	13.2
95.08601	0.6
103.05448	1.0
104.93272	0.3
105.04505	4.8
105.07036	0.5
107.01278	0.4
107.04940	34.4
107.08572	0.6
108.05277	0.8
109.02866	1.4
109.99976	0.4
117.03389	2.6
118.04128	0.4
119.04926	1.5
119.08600	0.4
120.08079	0.4
121.10088	0.7
131.04924	1.2
133.02858	0.4
133.10097	0.5
135.04398	51.4
136.04742	1.0
137.02338	1.9
145.02808	2.0
145.03931	0.9
146.05933	0.4
148.05180	0.7
149.01181	1.2
149.28470	0.4
163.03879	55.3
164.04239	0.8
167.02266	0.5
173.10736	0.4
191.03362	100.0
191.11835	2.7
191.14214	1.6
192.03716	2.6
192.08325	0.4
192.13727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0333
Annotation	Ayapin
Peak:m/z	Relative Intensity
50.01600	0.5
51.02389	0.5
53.03933	2.5
55.01862	2.2
56.96556	1.4
65.03944	0.6
67.01866	0.7
67.05508	0.6
68.99783	0.9
70.66551	0.8
77.03916	2.9
79.01850	4.5
79.05487	22.1
80.05053	0.5
81.03419	1.1
83.01332	11.7
89.03908	4.7
91.05487	1.3
93.03443	0.4
95.01326	0.6
95.04959	12.6
96.05265	0.4
103.05473	0.9
105.03414	0.5
105.04503	5.2
105.07018	0.6
107.01355	0.4
107.04944	36.1
107.08580	0.9
108.05276	0.7
109.02861	1.5
117.03356	2.0
118.06515	0.8
119.08570	0.6
120.08088	0.6
121.06495	0.5
121.10133	0.6
123.04376	0.4
130.04160	0.4
131.00221	0.4
131.04933	0.9
131.08536	0.6
133.10123	0.5
135.04402	52.6
136.04747	1.3
137.02325	1.7
145.02840	2.2
145.03966	1.0
146.06015	0.5
148.05177	0.8
149.01204	1.4
163.03888	58.0
163.07526	1.0
164.04254	1.7
164.05556	0.4
167.02304	0.5
176.04704	0.7
190.12381	0.4
191.03371	100.0
191.11794	3.3
191.14272	1.6
192.03687	2.5
209.39632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.2
51.02373	0.7
52.73928	0.2
53.03931	2.3
55.01861	2.4
56.40258	0.2
56.96553	0.9
63.02362	0.3
65.03919	0.6
66.64043	0.2
67.01842	0.5
67.05489	0.4
68.99774	0.8
69.03399	0.3
69.07051	0.3
70.00244	0.7
70.64361	0.2
77.03902	2.8
79.01839	4.2
79.05478	22.9
81.03403	1.2
83.01324	11.4
89.03893	4.8
91.05461	1.5
93.07027	0.3
95.01300	0.4
95.04947	13.0
95.08603	0.3
98.23431	0.2
101.89050	0.2
103.05437	1.2
105.03352	0.2
105.04497	5.2
105.07016	0.5
107.01289	0.3
107.04932	34.5
107.08619	0.3
108.05266	0.4
108.68893	0.2
109.02850	1.1
109.10139	0.2
117.03356	2.6
118.04102	0.4
118.06565	0.2
120.08067	0.3
121.02861	0.4
121.10097	0.4
121.37713	0.2
123.04395	0.3
125.05954	0.3
131.00122	0.3
131.04915	0.8
131.08629	0.2
131.97308	0.2
133.10143	0.3
135.04387	51.3
136.04723	1.0
137.02309	2.3
145.02808	2.0
145.03952	0.8
148.05157	0.9
149.01187	1.0
149.13226	0.2
160.05101	0.2
162.20815	0.2
163.03870	53.6
163.07466	1.1
164.04230	1.1
167.02228	0.3
173.13266	0.3
176.04637	0.6
191.03349	100.0
191.11832	1.5
191.14258	0.7
192.03725	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	191.0336
Annotation	Ayapin
Peak:m/z	Relative Intensity
51.02370	1.4
53.03937	2.6
54.81732	0.6
55.01860	2.1
61.70388	0.5
62.08908	0.5
63.30694	0.5
65.03927	0.7
67.01849	0.8
67.05520	0.5
68.87572	0.5
68.99757	0.8
69.07056	0.7
70.12697	1.1
76.72716	0.6
77.03911	2.7
79.01846	4.3
79.05486	28.0
80.04995	0.7
80.05802	1.1
81.03407	1.4
83.00865	0.8
83.01334	11.8
86.69634	0.5
89.03911	6.4
91.05461	0.8
93.07045	0.5
95.01329	0.9
95.04961	17.9
95.08559	0.5
105.04508	6.2
105.07035	0.6
107.04942	37.5
107.08552	0.9
108.05295	0.8
109.02862	0.9
117.03362	3.4
117.06993	0.6
118.06480	0.6
120.08112	0.7
121.10101	0.5
123.04391	0.5
131.08505	0.6
133.10107	0.8
135.04402	50.4
135.11705	1.0
136.04752	1.6
137.02290	1.7
145.02814	1.8
145.03914	1.1
149.01175	0.7
160.05005	0.8
163.03883	55.7
164.04327	1.3
191.03365	100.0
191.11807	4.5
191.14336	1.7
192.03712	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.07
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.03924	1.6
54.17954	1.4
55.01854	1.8
55.05486	1.5
56.96541	4.8
57.07060	1.6
65.03926	1.4
67.05489	1.8
69.03394	1.7
69.68410	5.2
77.03925	1.4
78.83957	1.4
79.05474	8.3
80.05009	2.9
81.07021	2.1
90.04675	5.0
91.05459	11.9
92.06245	1.7
93.07002	5.0
95.04983	8.3
95.08600	2.5
97.06464	1.5
102.04638	6.7
103.05454	100.0
105.03403	10.4
105.07008	12.5
107.04939	8.7
107.08580	6.1
115.05463	7.0
117.06963	4.6
118.04144	31.8
119.00224	1.5
119.04922	9.0
119.08561	1.8
120.05721	7.8
120.08047	1.5
121.06446	2.7
121.10128	4.3
130.04109	10.0
131.00102	2.0
131.04919	74.4
131.08557	2.5
131.22038	1.3
132.05643	6.4
133.02837	20.5
133.06467	8.1
133.10092	2.3
135.08025	9.7
135.11655	2.3
145.06462	3.8
145.07542	1.6
145.10083	2.7
146.03595	5.5
146.05972	1.4
147.04347	4.2
148.05174	60.9
149.01181	4.0
149.05804	1.5
149.13219	1.6
159.04446	2.4
160.05115	2.9
161.05933	2.2
163.07518	79.2
164.07947	2.5
167.02209	2.1
173.05972	6.7
173.13219	2.6
176.04652	17.0
176.89833	1.5
191.06975	69.7
191.11867	12.8
191.14302	11.1
191.17908	2.3
192.07260	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0911
Annotation	2-hydroxyoctanedioic Acid
Peak:m/z	Relative Intensity
54.00016	1.0
55.05489	0.9
55.52109	0.9
63.40158	1.0
67.05489	3.7
68.01330	1.0
71.04980	100.0
72.05324	1.7
79.05484	2.2
85.06523	11.9
86.82823	0.9
91.05467	4.1
92.26152	0.9
95.04948	3.1
98.18897	1.0
103.05459	1.2
105.07009	2.5
107.04982	1.3
107.08575	2.8
113.05993	9.4
117.06973	1.5
118.06530	3.7
119.08585	1.2
121.06448	1.1
127.06590	1.6
127.07531	29.3
129.81149	1.0
131.04883	1.2
131.07031	20.0
131.08528	6.7
135.08122	1.2
145.07582	3.2
145.08574	35.3
145.10010	2.8
147.08028	1.3
149.09595	1.4
163.07576	1.7
163.11075	1.3
173.07088	2.0
173.09612	2.5
176.04614	1.7
183.24870	1.0
190.77156	1.0
191.08223	14.7
191.10576	6.2
191.14285	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	191.1066
Annotation	Precocene I
Peak:m/z	Relative Intensity
52.19907	0.3
53.03957	0.4
55.01884	1.3
55.05524	1.1
57.03443	0.9
57.07068	1.9
67.05511	1.6
68.99781	2.2
69.03416	2.1
69.07082	1.4
71.05000	0.5
71.42486	0.4
79.05487	3.3
80.05018	0.3
81.03417	0.4
81.07051	6.0
81.07490	0.5
83.04984	1.3
83.08625	0.9
86.61743	0.3
91.05464	4.5
93.07037	6.2
94.06593	0.5
95.04955	3.3
95.08617	1.8
97.06519	0.7
103.05462	7.1
103.06108	0.5
105.03383	0.4
105.04519	0.6
105.07017	3.8
107.04944	7.1
107.08584	6.7
109.06501	1.0
109.10168	1.1
115.05476	0.7
117.07016	1.4
118.04185	0.6
119.04941	0.8
119.08558	2.0
120.08121	0.4
121.06488	18.8
121.10132	4.6
123.04414	10.3
123.08054	0.4
123.11665	0.4
129.07019	0.6
130.07784	0.7
131.00137	0.4
131.04912	9.5
131.08546	3.9
133.02762	0.5
133.06474	0.7
133.10109	6.0
135.04378	2.0
135.08034	5.2
135.11661	1.4
137.05957	1.1
137.09586	0.6
143.08530	0.6
145.06458	1.0
145.10123	3.9
146.06039	0.4
147.04382	2.8
147.08066	0.5
147.11658	2.0
148.05229	2.8
148.08824	0.3
149.01218	1.1
149.05959	100.0
149.09547	3.3
149.13234	1.9
149.96120	0.4
150.06277	1.4
158.07257	0.8
158.10861	0.7
159.04271	0.5
159.05527	6.8
161.05887	1.5
161.09605	0.6
162.06732	5.0
163.07529	7.5
163.11119	1.9
163.14822	0.8
170.43036	0.4
173.09554	2.0
173.13264	4.3
176.04445	0.8
176.08295	1.9
191.06851	3.7
191.10611	36.8
191.14276	11.9
191.17886	0.6
192.10936	0.9
192.14658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
55.05510	7.6
56.96551	4.0
57.03415	1.3
57.07069	1.5
59.04994	1.0
61.81401	0.8
65.03939	1.2
67.05508	6.0
69.03430	13.5
69.07059	8.4
71.04977	2.8
77.03916	1.2
79.05493	12.9
81.03386	1.1
81.07047	7.6
83.04972	13.2
83.08594	1.7
85.06520	1.6
91.05478	17.5
93.07039	12.0
95.04951	4.1
95.08599	5.3
97.06513	3.7
102.04685	0.9
103.05470	14.1
105.03406	1.0
105.04476	1.1
105.06343	1.7
105.07022	28.7
107.04923	3.8
107.08585	52.7
109.06516	4.3
109.10121	2.9
111.08038	1.7
115.05444	2.5
116.06210	1.6
117.07005	6.9
118.06575	1.1
119.04910	0.8
119.06020	1.5
119.08581	15.9
120.05717	1.3
120.08108	1.8
121.06503	8.8
121.10136	21.1
123.08042	3.7
123.11694	1.2
129.06981	3.7
130.04152	1.3
130.07761	2.3
131.00172	1.2
131.04944	15.6
131.08556	39.3
133.06511	1.2
133.10114	52.3
134.10493	0.9
135.04385	1.7
135.08044	17.9
135.11665	3.4
143.08525	4.7
144.09348	2.1
145.06491	2.1
145.10107	22.1
146.06068	1.6
147.04385	2.0
147.08026	3.1
147.11702	9.4
148.04887	4.1
149.01237	4.8
149.05943	1.7
149.09595	8.5
149.13248	12.2
150.96869	1.2
155.08618	1.7
158.10909	9.3
159.04439	5.4
160.05142	2.8
161.05663	1.7
161.09615	6.1
162.37440	0.9
163.07544	12.7
163.11172	1.5
163.14836	2.5
167.02173	1.2
171.11812	0.9
173.09605	4.9
173.13245	29.5
174.13609	1.3
176.04626	10.2
176.11943	2.2
191.06889	23.5
191.10522	9.0
191.14293	100.0
192.14676	2.6
197.43410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05499	5.7
56.96563	2.1
57.03425	1.1
57.07057	1.8
59.04981	1.0
67.05501	8.9
69.03413	5.3
69.06773	0.9
69.07067	8.4
71.04987	13.4
71.33450	1.4
77.03883	1.5
79.05477	10.9
80.05015	1.1
81.07047	12.6
82.02766	0.9
83.04983	2.8
83.08606	1.5
85.06528	9.4
88.72305	1.0
89.48114	1.1
91.05470	16.7
93.07034	22.9
94.24052	1.2
95.04964	6.7
95.08601	17.5
97.06519	13.8
97.22473	1.0
103.05440	3.5
105.07017	26.3
107.04947	2.1
107.08582	32.6
109.06519	9.5
109.10133	8.0
111.08056	3.2
115.05401	1.5
117.06997	4.3
119.05993	1.1
119.08559	11.1
120.08093	1.3
121.06483	4.4
121.09249	2.1
121.10125	34.6
123.08086	5.1
126.08129	1.0
129.06982	4.3
130.07759	1.7
131.04936	2.6
131.08545	22.7
131.77184	1.0
133.06468	2.6
133.10109	30.2
135.07037	1.5
135.08041	22.2
135.11676	4.7
142.07722	1.1
143.08540	2.5
144.09270	1.8
145.10106	10.8
147.11664	18.1
148.05206	1.7
149.01221	2.3
149.09583	4.8
149.13231	18.0
155.49698	1.1
156.09328	1.5
158.10902	7.6
160.05057	1.2
161.09666	1.1
163.07500	1.8
163.11176	3.1
163.14857	1.2
173.09555	2.3
173.13228	31.6
187.87637	1.1
191.06976	3.5
191.11981	7.5
191.14285	100.0
191.17902	3.3
192.14587	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01852	1.9
55.05505	8.8
56.39185	0.7
56.96545	3.1
57.03416	1.9
57.07058	3.0
65.03918	1.5
66.35240	0.8
67.05499	7.4
69.03423	11.8
69.07057	6.4
71.01331	2.7
71.03870	1.1
71.04977	3.8
79.05099	1.1
79.05484	12.5
80.04983	0.9
81.07040	7.1
81.72968	0.8
83.01333	1.2
83.04974	9.4
83.08591	2.3
85.06522	3.5
91.04941	1.8
91.05471	26.2
93.07029	18.2
95.04944	5.6
95.08591	8.6
96.08833	1.1
97.02879	1.3
97.06519	6.2
103.05447	4.9
104.05036	0.8
105.03364	2.0
105.07019	39.8
105.07729	2.0
106.07362	1.3
107.04939	3.5
107.08581	68.4
109.06521	7.7
109.10136	2.9
111.00848	0.8
111.08054	1.8
113.05982	1.6
115.05447	3.0
116.06203	2.4
116.98665	1.0
117.07003	10.3
118.07764	1.2
119.06036	1.3
119.08574	16.1
120.08070	1.5
121.06496	28.1
121.10138	24.7
123.04424	1.2
123.08054	5.1
123.11691	1.3
128.06216	1.2
129.06993	5.0
130.07761	3.1
131.00174	1.2
131.04924	8.3
131.08553	45.8
132.04427	6.1
133.05202	8.7
133.10114	100.0
134.10452	2.0
135.04381	1.1
135.08034	16.5
135.11653	4.8
137.05980	2.8
143.08527	6.6
144.09305	3.8
145.06482	1.5
145.10104	28.2
146.06009	2.0
147.07970	1.2
147.11655	14.7
148.05191	3.3
148.07542	1.8
149.01270	4.5
149.05975	16.4
149.09612	11.9
149.13251	17.5
158.07214	1.4
158.10904	10.5
160.03911	16.4
160.05090	1.4
161.05927	1.9
161.09589	3.5
162.06660	0.9
163.07516	7.1
163.11131	6.3
163.14801	3.0
167.02278	1.2
173.05965	2.3
173.09587	2.9
173.13248	39.9
174.13622	1.2
176.04674	3.5
176.08302	2.5
176.11993	1.8
178.04961	6.4
191.03386	1.6
191.06972	8.1
191.10590	18.3
191.14275	93.8
192.06519	3.7
192.14653	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03930	1.6
55.01857	3.6
55.05501	6.1
56.96547	3.0
57.03416	1.2
57.07053	1.0
61.78506	0.8
64.81161	0.7
65.00813	0.8
65.03926	1.1
67.05489	9.2
69.03419	10.0
69.07062	14.1
69.65973	1.0
69.66306	2.7
71.04980	3.5
73.48519	0.9
77.03900	2.0
79.05482	16.3
80.05007	1.3
81.03397	1.3
81.07050	13.0
81.97594	0.8
83.01324	2.5
83.04971	6.4
83.08600	3.1
85.06522	2.1
89.03910	1.3
91.05465	14.5
93.07033	19.5
95.04956	11.5
95.08592	16.1
97.06516	5.3
98.22748	0.9
98.97578	1.1
100.99183	0.9
103.05453	14.2
105.03370	1.6
105.04508	3.6
105.07018	18.2
107.04933	12.1
107.08575	31.1
107.79492	0.8
109.06505	8.0
109.10130	7.5
111.08053	1.8
115.05424	2.2
115.85726	0.9
117.06991	6.5
118.04129	3.3
118.06468	1.2
119.04906	1.3
119.08556	11.2
120.05700	2.1
120.08094	1.8
121.06487	17.4
121.10124	25.8
123.04399	1.3
123.08031	6.1
129.06979	3.3
130.04134	1.8
130.06531	0.9
130.07709	1.4
131.00133	1.6
131.04910	10.6
131.08543	23.7
132.04425	1.5
132.05682	2.5
133.02823	3.2
133.05232	1.9
133.06493	2.5
133.10101	17.4
135.04395	10.6
135.08038	20.6
135.11653	12.2
136.08716	0.9
143.08533	3.7
144.09343	2.1
145.06485	2.0
145.10097	11.8
146.03589	1.4
146.05991	3.1
147.04332	1.4
147.08012	1.5
147.11647	15.4
148.05179	8.7
148.08778	4.3
149.01178	4.6
149.06064	4.0
149.09599	13.6
149.13231	12.0
158.10880	6.2
159.04451	2.0
160.03946	3.9
160.05113	1.2
161.05957	1.1
161.09557	4.3
162.10355	1.0
163.03871	14.0
163.07533	14.1
163.11159	2.5
163.14812	8.6
167.02277	2.2
171.11720	1.0
173.05893	1.5
173.07231	1.2
173.09575	1.9
173.10974	1.1
173.13235	28.6
174.13542	0.9
176.04636	4.6
176.11888	2.3
178.04970	1.4
191.03378	21.8
191.06934	18.3
191.10374	6.5
191.11826	4.0
191.14279	100.0
191.17923	3.3
192.06546	1.0
192.14615	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	0.7
55.05507	4.0
57.07056	1.8
59.04980	0.9
59.44823	0.6
60.08342	0.5
65.03925	0.6
67.05498	4.6
69.03059	1.1
69.03422	14.8
69.07058	7.3
70.69009	1.1
71.04990	1.8
77.03883	0.6
79.05477	4.5
81.07042	5.9
83.04964	11.0
83.08608	1.5
85.06524	1.4
85.83259	0.5
91.05452	7.4
93.07033	8.7
95.04947	3.6
95.08598	6.4
97.06528	3.2
105.07012	11.1
107.04953	1.0
107.08579	30.7
109.06504	4.2
109.10129	2.6
111.08035	0.8
117.06988	2.5
119.08568	9.6
121.06492	7.5
121.10123	15.8
123.08064	3.0
123.56701	0.6
129.06987	1.3
130.07826	0.7
131.08546	13.7
133.06577	0.7
133.10109	20.8
134.10555	0.7
135.07028	1.1
135.08038	14.3
135.11647	3.4
136.08798	0.9
137.09598	0.5
143.08525	3.2
144.09311	1.2
145.10109	6.8
147.08029	1.4
147.11653	9.3
148.08778	2.3
149.09596	11.1
149.13235	8.9
158.10872	6.5
161.00443	0.6
161.09625	3.6
163.14787	2.4
171.11613	0.6
173.13246	19.7
174.13615	0.8
176.11942	2.5
185.50410	0.6
191.14281	100.0
192.14580	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03920	1.4
54.46928	1.1
55.01863	2.2
55.05500	10.7
56.96547	1.2
57.03434	1.4
57.07058	2.8
59.04980	1.7
67.05486	9.9
69.03422	12.6
69.04745	0.9
69.07066	11.6
69.38467	4.2
71.04968	3.4
71.08591	1.0
77.03915	1.4
79.05476	18.5
79.05904	0.7
81.07045	24.2
83.04964	13.7
83.08591	3.8
85.06523	3.9
91.05465	22.4
93.07029	32.8
95.04954	10.0
95.08586	27.0
97.06512	11.7
103.05465	8.2
105.07015	38.0
107.04932	17.8
107.08577	73.2
109.06500	20.5
109.10143	7.1
111.08057	6.9
115.05459	2.7
116.06229	1.4
117.07017	6.6
118.04131	1.5
119.08561	20.9
121.05610	1.6
121.06490	39.3
121.10126	56.8
122.10457	1.6
123.08048	17.8
123.11646	2.2
129.06990	3.4
130.07776	1.5
131.00142	1.5
131.04916	8.8
131.08546	38.8
133.02852	1.6
133.05241	1.1
133.06479	1.5
133.10109	35.3
135.04439	1.9
135.08023	31.0
135.11671	8.2
137.09584	1.5
143.08528	4.8
144.09296	3.8
145.10110	17.8
146.05959	1.9
147.04436	1.1
147.07999	1.9
147.11652	22.4
148.05154	4.6
148.08751	2.1
149.01199	1.8
149.05920	2.9
149.09592	37.3
149.13214	18.0
158.10899	9.5
159.04443	1.2
161.09592	1.8
163.07512	8.2
163.11169	7.2
163.14795	15.1
173.13239	47.0
174.13710	1.6
176.04611	2.2
176.12012	2.0
191.03406	1.5
191.06862	10.7
191.10602	4.2
191.14276	100.0
192.06519	0.9
192.14682	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03935	1.1
55.05502	3.8
57.03419	1.4
57.07051	2.2
62.40160	0.7
65.20236	0.7
67.05492	5.4
69.03069	0.9
69.03423	15.6
69.07048	6.5
69.25533	2.1
69.25940	1.7
77.03906	0.9
79.05483	11.2
81.07046	11.9
83.04969	4.1
83.08569	0.9
85.06528	1.6
91.05463	9.5
93.07021	9.2
93.57815	0.7
95.04932	2.4
95.08589	6.2
97.06551	1.1
98.22643	1.4
103.05445	1.2
105.07016	18.0
105.33094	0.8
107.04929	6.0
107.08580	29.6
109.06499	4.2
109.10139	9.7
115.05392	1.3
117.07004	2.3
118.07700	0.8
119.08570	7.7
121.06510	4.3
121.10121	18.6
122.07265	2.3
123.08018	2.7
129.06982	1.9
129.18002	0.7
130.07698	1.2
131.08546	11.6
133.10107	100.0
134.10419	1.6
135.08015	8.1
135.11684	4.7
135.17305	0.7
137.08591	1.1
137.09598	13.7
143.08556	4.2
144.09373	1.2
145.10106	6.5
147.11667	4.7
149.06003	1.0
149.09601	4.5
149.13228	15.1
158.10884	6.8
160.03922	1.2
163.07411	1.0
163.14763	4.3
173.13237	23.8
191.06873	1.2
191.14276	44.4
201.74887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01858	1.4
55.05500	6.8
56.33108	0.7
56.96547	0.7
57.03411	2.3
57.07053	1.5
59.04990	2.5
65.03915	0.8
67.05493	6.5
69.03427	6.7
69.07059	9.8
69.49964	2.3
71.04979	3.8
77.03918	1.0
79.05478	10.1
81.07043	10.3
83.04953	5.4
83.08617	4.4
84.76436	0.7
85.06535	2.8
91.05467	19.5
93.07030	17.1
95.04972	5.0
95.08593	11.5
97.06514	8.5
99.08063	1.0
103.05474	3.6
105.04534	0.9
105.07014	37.6
106.07325	0.7
107.04944	1.7
107.08579	40.4
108.90388	0.6
109.06496	7.0
109.10136	6.9
111.08050	2.1
115.05446	1.8
116.06213	1.3
117.06987	6.0
118.04178	0.9
118.07756	0.9
119.06065	0.8
119.08562	17.2
120.08064	0.8
121.06483	10.1
121.10123	18.7
122.07270	1.0
123.08036	7.3
123.11689	1.3
128.06189	0.7
129.06984	2.7
131.04919	2.7
131.08549	38.3
133.06451	1.5
133.10109	100.0
134.10474	2.3
135.08037	18.1
135.09059	1.0
135.11670	6.7
137.09607	1.3
143.08540	6.1
144.09363	3.0
145.06438	1.2
145.07555	0.8
145.10098	17.5
147.08035	1.7
147.11674	12.2
148.05225	1.3
148.08826	2.3
149.09592	9.1
149.13231	15.9
158.10889	13.0
159.08020	0.6
160.03923	1.8
161.09592	1.9
163.07513	2.7
163.11136	2.7
163.14825	6.0
171.11729	1.6
173.05923	0.6
173.13239	48.9
174.13579	0.8
176.11980	2.1
191.05350	0.9
191.06960	2.4
191.10620	2.8
191.14285	80.2
192.06659	0.9
192.14598	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58304	1.1
53.03935	1.7
55.01875	1.9
55.05508	11.4
56.96552	5.5
57.03403	1.9
57.07059	4.7
65.03913	1.3
67.05501	10.0
69.03423	12.2
69.07067	10.2
70.21252	1.1
71.01350	22.2
71.04975	3.4
71.40765	1.6
79.05488	14.2
80.05044	1.6
81.03398	1.7
81.07054	10.9
83.04992	10.1
83.08598	3.0
85.06536	4.2
91.05463	23.6
93.07034	24.4
94.53724	1.3
95.04965	7.1
95.08593	12.4
97.06517	6.0
103.05463	6.5
104.04929	1.3
105.04533	2.4
105.06343	2.2
105.07021	35.1
106.07284	1.4
107.04900	2.8
107.08584	48.2
109.06519	6.8
109.10138	4.5
111.08101	2.1
113.05988	14.7
115.05460	2.1
116.06191	1.9
117.07027	7.7
118.04169	1.1
118.06535	1.6
119.00159	1.3
119.08573	25.9
120.08096	3.1
121.06503	8.8
121.10131	32.6
123.08051	5.5
128.06201	1.6
129.07004	5.0
130.04138	1.7
130.07796	2.1
131.00131	1.6
131.04922	9.0
131.07036	7.8
131.08551	38.6
132.04451	11.9
133.05238	14.2
133.06271	1.9
133.10115	54.1
134.10497	1.4
135.07065	1.3
135.08046	18.3
135.11617	6.3
137.09608	1.7
143.08540	12.6
144.09267	2.8
145.08577	5.3
145.10104	24.4
146.05951	1.7
147.08075	2.7
147.11673	19.5
148.05133	3.4
148.07597	2.8
149.01273	6.1
149.09605	73.1
149.13240	22.7
150.10033	2.7
155.07045	2.1
158.10918	19.0
160.02637	2.3
160.03911	22.3
160.05095	2.3
161.09579	3.3
162.10382	1.4
163.07545	6.0
163.11151	5.7
163.14751	7.0
164.07062	1.7
167.02306	2.6
173.07086	1.7
173.13251	55.8
176.04698	2.8
176.11967	1.5
178.04988	10.2
191.07016	7.5
191.08499	2.5
191.10481	3.2
191.12042	5.9
191.14291	100.0
192.06551	5.0
192.10168	1.3
192.14622	1.6
211.57793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0655
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
55.05478	0.7
65.03923	0.9
80.05000	0.7
81.03418	1.4
91.05450	1.3
93.07044	1.2
95.04952	1.7
96.84701	0.7
99.08088	0.9
103.05440	2.6
104.04950	4.2
105.03393	5.9
105.05762	0.8
105.07026	1.8
107.04977	0.7
108.04470	1.5
108.08924	1.0
109.10123	0.7
119.01810	0.6
119.08590	0.8
120.08102	3.6
121.06482	1.8
130.06529	3.0
131.07384	0.7
131.08533	1.4
132.04437	45.8
132.08871	1.0
132.95836	0.9
133.05225	49.2
133.10078	2.0
134.05969	1.9
134.10539	1.1
136.08377	0.7
146.06036	3.4
147.03127	3.0
147.04398	1.7
148.04008	1.2
148.07539	11.5
148.08629	1.0
149.04691	1.2
149.05826	0.8
150.05457	0.9
150.96825	1.0
160.03920	100.0
161.04289	1.7
164.07050	2.3
174.13614	0.7
177.04173	1.6
178.04973	45.0
179.05348	1.0
192.06516	16.9
192.08263	1.5
192.10060	1.4
192.14796	1.3
193.04962	2.1
193.15919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1381
Annotation	DEET
Peak:m/z	Relative Intensity
56.35327	0.2
65.03917	1.0
67.05499	0.4
70.27998	0.2
71.20015	0.2
72.04510	6.6
72.08156	0.4
78.07561	0.2
80.05817	0.2
90.49238	0.2
91.05464	7.6
95.04958	0.4
95.21209	0.2
100.07603	5.2
109.05745	0.5
109.06504	9.8
118.06580	0.5
119.04927	100.0
119.05958	3.8
120.05242	1.6
135.11661	0.2
136.04762	0.4
146.06000	0.3
148.07520	0.2
160.05002	0.6
164.04260	0.3
178.02480	0.3
192.03778	1.0
192.13799	37.6
193.04962	0.6
193.14134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.9664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11086	11.2
50.46435	9.9
55.01861	16.7
56.05041	10.4
56.96551	29.5
57.03423	13.2
61.02901	11.1
61.28956	10.8
63.69639	12.1
67.05505	13.3
69.03426	35.0
72.57355	8.7
73.02905	28.2
73.31963	9.1
76.09927	10.6
79.05466	16.5
85.02900	45.3
91.05485	22.4
93.07024	11.9
95.04944	16.1
96.04512	13.4
97.02896	44.5
98.09715	11.2
101.00864	16.6
101.69794	10.7
106.06558	16.0
115.02390	14.9
116.98638	24.1
119.01925	28.1
119.04956	13.8
119.08540	14.9
121.01672	12.2
122.05980	10.5
131.01862	18.3
133.02818	26.4
137.05943	29.7
143.01862	14.4
145.03429	23.3
146.06046	14.3
147.01418	23.6
148.07549	27.2
161.02995	12.8
165.93068	10.4
170.03040	29.3
173.02994	17.0
174.03072	12.7
174.05588	11.0
174.14828	17.2
175.04257	21.0
178.02594	23.6
180.17786	12.3
187.02802	10.1
192.06602	18.9
192.15981	11.4
192.96638	32.5
193.04910	100.0
193.09755	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.02381	0.1
53.03973	0.2
66.27022	0.1
70.56797	0.2
77.03923	0.6
81.03434	0.2
81.07029	0.2
82.85611	0.1
89.03901	0.6
91.05461	0.2
94.04160	1.0
95.04969	0.3
105.03377	0.9
106.04161	0.2
117.03350	0.6
122.03633	4.1
122.04527	0.2
133.02829	30.2
134.03220	0.4
135.04416	0.2
137.05959	8.2
149.05945	2.3
150.03094	2.8
161.02306	0.6
165.05455	3.2
176.76567	0.2
178.02579	16.8
179.02925	0.3
193.04932	100.0
194.05269	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	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
50.38578	0.2
51.02379	0.4
53.03934	0.2
55.05494	0.3
66.04716	0.4
67.05497	0.3
67.34995	0.2
70.32622	0.3
70.32958	0.4
70.86256	0.2
72.98486	0.2
77.03490	0.2
77.03918	0.8
79.05486	0.5
81.03395	0.2
81.07071	0.2
89.03904	0.9
89.11504	0.2
91.05478	0.7
93.07056	0.4
94.04178	1.2
95.04964	0.9
95.08588	0.3
95.85831	0.2
98.23408	0.3
102.83979	0.2
105.03401	1.7
105.04494	0.2
105.07031	0.4
107.04950	0.3
117.03358	0.8
117.85170	0.2
119.04939	0.3
119.08531	0.3
121.02847	0.3
122.02787	0.4
122.03638	5.7
122.04530	0.3
129.02731	0.2
133.02837	46.6
133.10118	0.5
134.03200	0.6
135.04437	0.3
135.11621	0.2
137.05965	12.9
138.06313	0.2
145.11287	0.2
145.48438	0.2
149.05968	3.1
149.86931	0.2
150.03110	4.4
161.02351	0.8
165.05466	4.8
178.02596	24.6
179.02902	0.6
182.79482	0.2
192.13780	0.3
193.04942	100.0
194.05287	1.9
194.15411	0.5
212.11006	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	193.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52926	0.4
67.05492	0.7
69.61208	1.5
77.03908	1.1
79.05465	1.1
81.07040	0.5
81.17130	0.4
89.03909	1.1
91.05462	1.5
94.04154	1.4
95.04961	0.9
95.08542	0.6
98.23527	0.4
103.05435	0.8
103.27308	0.4
105.03362	1.8
105.07015	3.6
107.04929	0.4
107.08556	0.6
107.15279	0.4
109.06486	0.5
115.05453	0.4
117.03412	0.5
118.04095	0.6
119.08542	0.9
121.06477	0.7
122.03619	7.0
128.03096	0.4
133.02827	43.9
133.06430	2.9
133.10094	1.1
134.03381	0.6
137.05956	13.0
146.06018	1.4
147.04361	0.5
147.06328	3.1
147.11635	0.5
149.05928	3.5
150.03101	4.3
161.02303	0.9
161.05934	2.1
165.05473	4.2
178.02579	27.3
191.88937	0.4
193.04930	100.0
193.15944	0.5
194.05336	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	193.0494
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
59.27731	0.4
62.97334	0.4
67.05487	0.5
69.34123	1.0
69.34531	1.4
77.03908	0.8
79.05467	0.7
80.43867	0.4
81.03360	0.5
81.07043	0.9
89.03893	1.3
89.70843	0.4
91.05484	1.3
94.04178	1.3
94.86652	0.4
94.97971	0.4
95.04971	0.6
103.05469	0.7
105.03380	1.6
105.07030	2.5
105.07624	0.4
107.71096	0.4
115.05406	0.7
117.03335	0.8
119.08546	0.5
119.46100	0.4
122.03630	6.1
133.02835	44.9
133.06474	2.5
133.10107	1.1
134.03650	0.4
135.11644	0.5
137.05959	12.2
137.09601	0.5
142.18338	0.4
146.05997	1.4
146.69987	0.5
147.04405	0.5
147.06346	2.1
147.11703	0.5
149.05977	3.8
150.03094	5.0
161.02293	0.7
161.05960	1.9
165.05461	4.4
178.02589	26.4
193.04939	100.0
194.05406	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
55.01861	0.5
55.05490	1.6
57.07060	0.7
59.04984	0.9
67.05495	3.7
69.07051	1.3
73.91307	0.4
77.03909	0.6
77.48493	0.3
79.05478	2.4
81.03391	0.5
81.07043	2.1
83.04951	0.5
83.08624	0.5
84.73380	0.4
85.06534	2.9
89.03910	0.7
91.05438	1.4
93.07034	3.5
94.04177	1.2
95.04971	1.8
95.08607	2.7
98.22684	0.8
99.08085	10.4
103.05447	0.8
105.03358	2.7
105.04527	0.6
105.07035	4.6
107.04930	0.8
107.08595	3.4
109.06490	1.2
109.10142	7.3
115.05412	0.6
117.03357	0.7
119.08556	2.2
121.10132	0.6
122.03626	5.9
123.08050	0.9
123.11690	0.9
131.04959	0.8
133.02832	41.2
133.06450	2.5
133.10110	2.6
134.03218	0.8
135.11687	3.8
137.04919	0.8
137.05949	11.0
137.09578	2.5
142.20929	0.4
147.11668	0.7
149.05963	2.5
150.03093	4.4
151.11134	0.7
161.02338	0.7
161.06009	1.8
165.05481	4.0
165.16380	0.7
175.07552	0.6
175.14787	1.1
178.02588	23.1
179.02950	0.6
193.04938	100.0
193.15854	8.5
194.05286	2.1
212.39087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
50.64986	0.2
51.02370	0.4
53.03939	0.2
53.46499	0.2
55.01860	0.2
65.03941	0.2
66.04707	0.5
77.03905	1.0
78.04710	0.3
79.05499	0.5
81.03408	0.4
81.07025	0.4
89.03902	0.9
91.05460	0.7
94.04182	1.6
95.04933	0.7
98.23508	0.4
103.05450	0.6
105.03363	2.2
105.04459	0.4
105.07024	2.4
107.04919	0.4
109.06527	0.3
115.05435	0.6
117.03358	0.9
118.04186	0.3
119.08549	0.3
122.03627	7.0
127.98411	0.2
133.02829	47.3
133.06479	1.9
133.10052	0.2
134.03212	0.7
135.08049	0.2
137.05949	13.1
149.05948	3.2
150.03099	5.0
161.02307	0.7
161.05959	1.7
165.05447	4.7
178.02580	26.2
179.02921	0.5
193.04930	100.0
194.05232	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	193.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03928	0.5
53.50991	0.4
55.01862	0.7
55.05493	1.0
57.03436	0.4
63.35971	0.3
67.05503	2.4
69.03409	0.6
69.07047	0.6
71.01095	0.4
71.04958	0.3
77.03925	1.0
79.05479	2.1
81.03406	3.6
81.07034	2.6
82.50657	0.3
83.04958	0.5
83.08627	0.7
89.03930	0.5
91.05451	3.4
93.07035	2.1
94.04175	0.9
95.04945	2.1
95.08585	3.4
97.02879	0.7
103.05425	0.9
105.03374	4.9
105.07020	5.6
107.04927	0.6
107.08568	1.7
109.06501	0.8
109.10145	1.3
111.08020	0.5
115.05442	0.5
117.03367	0.5
117.07014	0.4
119.04902	0.5
119.08583	2.2
121.06410	0.5
122.03627	5.6
123.08073	0.6
123.11688	0.7
129.06949	0.7
131.08524	1.0
133.02831	39.4
133.06454	2.4
133.10120	2.9
134.03136	0.5
135.08029	0.5
135.11670	1.6
137.04930	0.8
137.05957	11.6
147.08002	0.6
147.11684	2.2
149.05969	1.9
149.13263	0.5
150.03107	4.2
157.10078	0.7
161.05969	2.3
165.05487	3.9
175.11169	1.4
175.14804	1.4
178.02583	26.8
179.02867	0.4
193.04936	100.0
193.12192	1.4
193.15829	2.0
194.05249	2.0
194.15395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
55.01876	1.6
55.05504	0.4
66.04717	0.4
67.05505	0.5
69.50681	1.2
69.51025	0.3
77.03924	1.3
79.05479	4.7
81.03401	0.5
81.07027	1.1
83.04982	0.5
89.03907	1.2
90.04679	0.6
91.05465	3.3
93.07010	0.6
94.04171	1.3
95.04943	2.3
95.08598	0.3
97.02840	0.6
103.05453	6.1
103.06152	0.2
104.06282	0.3
105.03384	1.9
105.07014	32.3
106.04180	0.4
106.07384	0.4
107.04935	1.0
107.08565	0.6
109.06493	2.1
109.10158	0.4
110.07257	0.3
115.05445	6.4
117.03354	0.9
118.04137	3.6
119.04911	0.6
119.08566	1.6
121.06504	0.4
122.03640	6.4
123.08074	0.6
129.05324	0.3
131.04941	1.7
132.05733	0.4
133.02832	45.8
133.06467	26.0
133.10085	2.4
134.03401	0.5
134.06790	0.5
135.04451	0.3
135.08080	0.6
135.38455	0.3
137.05957	13.2
137.09554	0.7
143.04959	0.6
143.06041	2.1
146.06000	2.2
147.04422	0.6
147.06342	6.7
147.08041	1.3
147.11649	0.7
149.05977	3.3
150.03113	4.2
151.03856	0.5
151.11140	0.7
161.02333	0.8
161.05951	26.0
162.06245	0.8
163.03839	0.3
165.05435	4.1
165.09113	0.4
168.66054	0.3
169.01530	0.3
175.07458	0.7
175.11150	1.3
177.05457	0.3
178.02585	27.1
179.01422	0.3
179.02908	0.5
193.04933	100.0
193.12085	1.8
193.15854	0.5
194.05293	2.1
194.15385	0.4
195.25195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01864	0.7
55.05502	0.6
66.04697	0.4
67.05479	1.4
71.42973	0.4
72.04492	1.3
76.23837	0.3
77.03886	0.8
79.05476	2.4
81.03389	1.6
81.07027	1.0
86.44983	0.4
89.03907	1.2
91.05482	2.2
93.07003	1.0
94.04169	1.4
95.04933	1.8
95.08585	1.1
103.05442	2.2
104.06252	0.4
105.03380	1.8
105.04520	0.6
105.07014	12.2
107.04955	0.7
107.08569	0.7
109.06522	1.0
109.10123	0.6
115.05431	2.2
117.03393	0.7
118.04131	1.0
119.04922	0.7
119.08560	1.2
121.06496	0.8
122.03629	6.7
123.07999	0.8
131.04904	1.6
132.05663	0.4
133.02832	45.7
133.06462	8.9
133.10094	2.0
134.03136	0.7
137.05956	13.2
143.06012	0.9
147.04379	0.9
147.11719	0.8
149.02304	0.6
149.05972	3.6
150.03107	4.2
150.06660	0.4
151.03864	1.1
151.07501	1.0
157.06335	0.4
157.10043	0.4
160.05153	0.5
161.02341	1.1
161.05946	7.8
165.05470	4.2
165.06815	0.6
165.09164	0.5
175.07462	0.7
175.11194	0.5
178.02588	26.2
179.02942	0.4
193.04935	100.0
193.08464	5.1
193.12135	0.9
193.15858	0.6
194.05290	2.4
194.15471	0.5
199.84036	0.3
213.38899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03937	0.9
54.66679	0.5
55.01868	3.0
55.05506	2.0
57.03429	1.0
59.04994	0.7
61.53471	0.6
67.05499	5.0
69.03436	0.8
69.07051	1.5
70.60455	0.9
71.04988	1.3
77.03901	0.8
79.05484	14.5
81.03405	0.9
81.07053	4.5
83.04977	1.5
85.02951	0.6
85.06519	0.9
87.04431	0.6
89.03928	0.6
90.04693	1.5
91.05470	23.6
93.07037	6.1
94.04184	0.6
94.89887	0.5
95.04961	5.9
95.08614	1.7
97.02884	1.7
103.05459	14.7
105.03388	1.8
105.07017	100.0
106.07348	1.9
107.04931	1.5
107.08594	3.4
109.06507	3.3
109.10159	1.3
114.40198	0.5
114.90739	0.6
115.05440	19.8
117.07006	1.2
118.04156	10.0
119.04955	1.0
119.08542	7.3
121.06462	1.7
121.10149	0.8
122.03607	0.7
123.04410	1.4
123.08049	1.6
125.05995	0.7
129.06950	1.1
131.04938	3.8
131.08545	6.3
132.05679	1.0
133.02832	8.2
133.06474	72.4
133.10112	47.1
134.06854	1.4
134.10429	1.4
135.08032	1.4
135.11671	1.5
137.05966	4.0
137.09579	1.0
143.04906	1.7
143.06035	7.4
145.10059	0.9
147.04391	1.3
147.06340	0.7
147.08023	2.2
147.09119	0.6
147.11650	9.0
149.05972	1.9
149.09616	1.6
150.03058	1.2
151.03894	1.0
151.07561	1.2
151.11137	2.0
157.10089	1.9
157.80611	0.5
160.05174	0.8
161.05960	72.9
162.06322	1.3
165.05475	2.6
165.09091	0.9
165.12808	0.9
175.03918	0.7
175.07518	1.5
175.11169	6.8
175.14700	1.1
178.02603	3.8
193.04933	18.6
193.08514	10.6
193.12196	10.9
193.15862	1.5
194.15373	1.6
210.32213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03950	0.8
55.01860	4.6
57.03422	1.1
57.08768	0.7
58.98378	0.6
59.89176	0.6
62.90558	0.7
65.03920	0.8
66.04706	0.6
67.05498	3.1
67.86320	0.7
69.03428	0.7
69.13810	4.6
69.14123	1.3
77.03917	1.9
77.80747	0.6
79.05485	14.3
81.07054	3.5
83.04963	2.1
89.03859	0.7
90.04686	2.4
91.05470	8.1
93.07037	2.1
95.04968	4.8
95.08599	2.0
97.02859	0.9
103.05457	18.6
104.03459	0.7
104.06230	0.7
105.07021	100.0
106.07337	1.4
107.04887	1.4
107.08602	1.9
108.05763	0.6
109.06525	6.5
109.10143	2.6
115.05448	23.4
117.07005	1.2
118.04148	11.0
119.04961	1.4
119.08561	9.9
121.06454	1.2
122.03632	1.8
122.07288	1.3
123.08087	5.5
123.11720	1.1
128.06161	0.7
131.04892	3.8
131.08545	1.0
132.05696	2.8
133.02849	7.7
133.06476	87.1
133.10124	2.9
134.06842	1.5
135.08067	1.8
135.11702	1.5
137.05954	3.6
137.09621	7.7
143.04965	1.2
143.06007	8.3
145.06529	1.0
147.06392	1.2
147.06735	1.2
147.08037	23.2
147.11665	3.5
148.07468	1.2
149.05986	1.9
150.03131	2.1
151.07533	3.0
151.11185	2.3
160.08850	1.5
161.05965	88.9
162.06355	1.4
165.05437	1.7
165.09094	5.0
175.07535	11.5
175.08875	1.3
175.11084	4.6
178.02548	5.6
178.06239	1.4
193.04933	15.2
193.06601	1.2
193.08549	20.3
193.12175	6.2
193.15788	0.9
194.15376	1.8
201.80759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03937	0.8
54.40777	0.6
55.01870	3.4
55.05508	6.0
57.03426	0.8
57.07067	1.0
65.03935	0.8
67.05194	0.8
67.05502	7.7
69.03426	1.8
69.07063	4.9
71.04994	1.8
77.03928	1.5
78.04690	1.0
79.05486	15.8
81.03410	9.3
81.07051	8.5
83.04984	3.3
83.08607	5.1
85.06533	1.2
90.04695	1.4
91.05471	8.3
93.07024	7.0
94.40404	0.6
95.04962	8.2
95.08593	12.5
97.06520	1.7
97.10168	1.1
99.08080	0.8
102.04682	0.7
103.05461	14.3
104.05676	0.7
104.06266	5.5
105.03392	1.0
105.07019	97.4
106.07359	2.0
107.04934	1.4
107.08575	10.5
109.06512	7.9
109.10140	11.2
111.08092	4.4
115.05448	16.4
117.06994	0.8
118.04156	8.9
119.08563	13.6
120.08047	0.8
121.06542	1.1
121.10136	9.7
121.34029	0.6
123.08058	12.2
123.11695	3.3
129.07037	1.1
131.04918	5.1
131.08566	1.8
132.05698	5.7
133.02853	3.2
133.06480	79.7
133.10106	11.3
134.06824	1.8
135.08031	0.8
135.11682	9.5
137.05951	2.3
137.09589	17.8
137.13205	1.2
138.10365	2.8
143.04965	1.4
143.06032	6.7
145.10071	0.6
147.04382	0.8
147.08051	1.3
147.11653	3.4
149.05933	3.7
149.09615	0.9
149.13255	4.5
150.06775	0.8
151.11151	1.5
151.14888	1.1
157.10097	1.2
160.05156	3.1
161.05962	59.7
162.06406	1.4
165.05461	1.3
165.12759	4.8
165.16428	0.7
175.11086	1.0
175.14818	13.7
177.05440	0.6
178.02626	2.4
178.06245	3.6
193.04962	8.6
193.08577	100.0
193.12196	2.3
193.15866	28.7
194.08887	2.1
194.15421	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	193.1222
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.11785	0.9
53.03929	5.7
55.01854	2.7
55.05499	9.8
57.03425	16.6
57.07066	1.2
59.04984	2.5
65.03912	1.2
65.89724	0.9
66.04719	1.2
67.05497	10.4
69.03425	7.0
69.07052	4.3
70.44454	1.8
71.04978	6.6
77.03918	1.7
79.05477	17.8
81.03405	1.2
81.07044	49.1
83.04969	21.7
85.02886	4.5
85.06520	1.8
89.83321	1.0
91.05470	22.3
93.07035	12.1
95.04959	14.2
95.08592	8.3
96.83685	1.2
97.06483	2.0
103.05455	4.5
105.03365	1.2
105.07021	47.5
107.04928	3.0
107.08577	19.9
109.06503	93.3
109.10137	7.9
110.07330	2.1
111.08051	4.8
115.05406	6.1
116.06248	1.3
117.06966	2.7
118.04137	3.1
119.04906	1.5
119.08565	58.5
121.06486	10.6
121.10113	3.1
122.03633	2.4
122.07298	1.4
123.04382	2.1
123.08047	15.1
123.11680	5.1
131.04893	2.4
131.08528	4.3
133.02824	13.6
133.06471	23.4
133.10106	34.9
135.08032	28.2
137.05959	15.4
137.09601	18.8
137.13202	1.5
139.07547	2.2
142.07730	6.1
143.04941	1.0
143.06017	2.5
145.06473	9.5
145.10101	1.4
146.07228	5.6
147.04388	1.8
147.06319	3.1
147.08047	8.4
147.11652	33.2
149.05933	2.6
149.09595	1.8
150.03098	3.2
151.07512	2.0
151.11150	33.8
157.10080	5.3
159.08044	2.2
160.08817	30.9
161.05959	18.0
163.48862	1.2
165.05495	1.6
165.09070	1.1
165.12791	6.9
175.03925	1.4
175.11157	100.0
176.11520	2.0
178.02570	11.7
179.02019	4.9
193.03148	2.5
193.04929	42.7
193.08566	6.5
193.12206	99.5
194.04388	6.8
194.12492	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03928	3.7
55.01863	3.4
55.05508	8.9
57.03433	13.8
57.07061	1.8
59.04978	4.2
65.03944	1.6
66.31091	1.0
67.05497	11.3
68.99756	1.7
69.03422	7.6
69.07061	5.1
71.04987	5.5
77.03897	2.0
79.05485	16.6
81.03409	1.3
81.07047	49.2
83.04974	19.2
83.08588	1.1
85.02883	4.1
85.06538	3.2
91.05469	23.0
91.43425	1.0
93.07027	8.8
95.04960	14.1
95.08595	11.3
97.02913	1.6
97.06513	2.0
103.05437	5.3
105.03355	2.2
105.04469	1.8
105.07020	49.6
107.04907	2.0
107.08581	18.9
109.06506	88.8
109.10158	8.6
110.07313	3.0
111.08051	4.9
115.05453	8.4
117.06998	1.8
118.04143	2.1
119.04928	1.6
119.08567	53.2
120.08823	1.7
121.06492	12.0
121.10124	2.4
122.03619	2.4
123.04413	1.6
123.08067	13.3
123.11696	5.3
123.15063	1.1
129.06946	2.6
131.04933	1.5
131.08571	4.4
133.02841	16.3
133.06477	23.1
133.10112	41.6
135.08034	27.2
135.11644	1.8
137.05966	19.5
137.09598	18.3
139.07478	1.2
142.07765	4.3
145.06444	8.9
145.10031	1.3
146.07234	5.6
147.04424	1.9
147.06349	10.1
147.08035	9.7
147.11678	29.3
147.79793	1.1
149.05962	4.5
149.09610	2.5
150.03146	2.4
151.02609	1.7
151.07513	4.7
151.11165	32.1
157.10085	4.1
159.08058	1.1
160.08817	31.5
161.05959	22.6
165.05475	3.2
165.12752	8.0
175.03912	2.4
175.11168	100.0
176.11494	2.0
178.02591	14.1
178.06177	1.3
179.02107	4.7
193.04941	46.7
193.08507	8.0
193.12215	98.9
193.15816	2.6
194.04480	4.9
194.12500	3.1
194.15369	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51502	0.9
53.03933	1.2
54.35425	1.0
55.01849	3.0
55.05258	2.0
55.05502	26.8
56.19184	1.0
57.03417	3.7
57.07057	5.8
59.04982	2.7
62.62285	1.0
65.03917	1.1
66.41587	1.1
66.44901	0.8
67.05491	34.5
69.03409	3.2
69.07054	21.1
71.04990	7.1
71.08588	1.4
79.05472	13.1
81.03395	3.1
81.07041	32.1
83.04958	8.5
83.08603	14.4
85.06519	8.6
85.10177	1.0
89.23628	0.9
91.05472	12.8
93.07027	24.9
95.04955	7.3
95.08588	55.1
96.08908	1.1
97.02867	1.6
97.06493	4.1
97.10145	4.2
99.08071	16.2
103.05434	3.7
105.04517	1.0
105.07011	32.2
107.04916	2.5
107.08572	30.9
109.06495	16.0
109.10138	80.3
110.10444	1.8
111.08054	6.6
111.40539	1.0
112.35494	0.9
113.09629	1.5
115.05417	2.3
116.65269	1.2
117.06992	2.7
119.04945	1.3
119.08556	78.6
121.02830	1.7
121.06526	1.4
121.10120	30.0
123.07139	1.3
123.08048	27.6
123.11690	18.2
123.12533	2.2
125.09612	2.7
129.06975	1.4
130.06540	1.2
131.04948	2.8
131.08531	3.4
133.02829	3.1
133.06483	9.4
133.10106	50.0
135.08026	1.6
135.11673	41.4
137.05943	1.7
137.09589	31.3
137.13223	3.7
138.10300	1.3
145.10126	1.9
147.04338	1.2
147.08020	3.8
147.11667	10.8
148.07494	1.2
149.09583	1.8
149.13232	10.2
149.60188	1.1
151.11147	13.0
151.14775	4.8
160.05177	1.3
161.04274	1.0
161.05942	4.7
163.14796	1.1
165.05550	1.2
165.09042	1.5
165.16367	9.1
175.07510	4.3
175.11160	2.9
175.14792	49.2
176.15157	1.4
178.02490	2.6
193.04919	10.6
193.06732	1.7
193.08475	7.4
193.12181	3.4
193.15845	100.0
194.16187	2.1
204.75618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05509	23.3
55.53078	1.7
57.03427	2.4
57.07059	6.0
57.23602	1.6
59.04977	3.2
67.05496	35.4
69.03408	3.8
69.07064	18.1
69.86564	1.6
70.61658	3.5
71.04971	6.9
71.08601	1.8
77.03863	1.6
79.05473	13.3
81.03420	3.8
81.07043	35.5
83.04958	7.2
83.08623	11.8
85.06523	6.1
91.05456	14.0
93.07034	25.2
95.04991	8.1
95.08012	3.3
95.08593	47.6
97.02869	4.5
97.06516	5.7
97.10166	3.0
99.08070	12.9
99.71774	1.7
103.05452	4.4
105.07018	31.0
107.08588	32.6
109.06497	17.4
109.10141	83.7
111.08062	7.5
118.04178	2.0
119.08568	71.7
121.10119	28.8
122.00740	1.7
123.08052	26.7
123.11701	18.1
125.09583	1.6
131.08540	2.7
133.02840	3.6
133.06474	9.5
133.10110	58.5
135.08086	2.8
135.11678	45.3
137.09590	28.7
137.13232	2.6
145.10176	2.5
147.08003	2.2
147.11661	15.1
149.13208	14.2
151.11160	14.5
151.14806	6.1
158.85997	1.7
161.05983	4.9
165.16367	8.1
175.11273	3.2
175.14796	53.3
176.15143	2.6
193.04901	9.9
193.08575	7.1
193.12294	4.2
193.15868	100.0
194.16174	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
54.89632	1.7
55.01846	2.2
55.05297	1.9
55.05504	26.0
57.07057	8.0
59.04996	4.0
65.03933	2.0
67.05499	28.9
69.03418	18.9
69.07054	22.6
70.73583	3.0
71.04976	4.0
79.05477	16.7
81.07044	37.5
83.04974	24.1
83.08614	17.8
85.06516	6.5
91.05476	16.5
92.45602	2.0
93.07034	25.6
95.04958	4.3
95.08598	69.8
95.09209	3.7
97.06509	4.9
97.10163	3.8
99.08080	4.1
103.05434	2.9
105.07018	37.3
107.04939	2.8
107.08583	58.0
109.06498	16.5
109.10143	95.4
111.08051	11.1
115.05434	3.9
118.04175	3.2
119.04954	2.7
119.08566	81.6
121.06487	2.2
121.10127	41.9
122.03626	3.6
123.08057	46.4
123.11691	13.5
125.09583	3.3
133.02853	15.8
133.06487	9.0
133.10118	58.1
135.11679	100.0
137.05937	5.6
137.09596	35.5
138.10323	2.3
147.11629	13.5
148.90152	2.0
149.13232	23.4
151.11160	11.3
151.14816	13.1
161.05949	9.0
165.05504	3.5
165.16367	4.9
175.14809	59.4
178.02612	8.2
193.04933	34.3
193.08620	7.9
193.15862	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.45132	1.6
53.03935	2.2
55.01856	3.5
55.05510	24.0
57.03424	3.0
57.07067	5.3
59.04975	5.2
65.03940	2.3
67.05498	28.2
69.03423	12.5
69.07059	26.1
71.04972	8.8
77.03899	3.0
77.16515	1.4
79.05489	24.2
81.03403	6.7
81.07050	40.8
83.04971	13.9
83.08624	11.9
85.06535	6.6
91.05477	25.5
93.07034	39.2
94.04169	1.8
95.04963	13.0
95.08596	59.5
96.08924	1.5
97.02872	6.7
97.06525	7.6
97.10164	4.7
99.08095	14.2
103.05445	9.1
105.03387	2.8
105.04506	2.2
105.07022	71.6
107.04922	6.9
107.08580	43.2
108.08929	1.8
109.05756	2.7
109.06498	30.8
109.10147	63.5
110.06080	1.9
111.08070	11.0
115.05454	4.9
115.47234	1.7
117.06984	3.8
118.04177	9.2
119.04913	3.1
119.06073	1.8
119.08571	63.1
120.05730	2.0
121.06490	5.8
121.10153	23.3
122.03597	2.2
122.07243	1.6
123.08056	34.6
123.11695	19.9
125.02414	2.0
125.09585	3.4
131.08545	4.2
133.02838	15.6
133.06470	27.4
133.10118	61.9
135.04391	2.7
135.08026	4.4
135.11678	50.3
137.05968	12.8
137.09602	30.1
138.10397	3.0
145.10110	3.1
147.11653	16.9
148.07515	2.4
149.05965	5.4
149.13237	24.9
150.03093	2.8
150.06702	8.0
151.07510	3.2
151.11183	12.9
151.14804	5.6
161.05972	14.2
165.05498	2.6
165.09076	9.0
165.12703	2.8
165.16359	3.2
175.07574	2.8
175.11218	5.4
175.14799	60.9
176.07080	1.7
178.02621	9.3
178.06233	2.4
193.04945	36.9
193.06854	2.9
193.08528	22.4
193.09854	1.6
193.12241	5.2
193.15863	100.0
194.05400	1.9
194.15407	5.7
197.10422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03947	2.2
55.01860	5.3
55.05285	1.5
55.05503	15.6
56.28311	1.3
56.75806	1.4
57.03412	1.9
57.07058	2.8
67.05211	1.7
67.05502	19.1
69.03422	7.6
69.06774	1.4
69.07067	17.5
71.04973	2.5
71.42032	1.6
77.03919	2.3
79.05489	20.8
81.03414	13.3
81.07047	25.5
83.04967	14.3
83.08619	9.1
85.06513	3.9
90.04669	1.6
91.05479	13.4
93.07030	19.4
95.04955	14.5
95.08602	35.4
97.06525	7.2
97.10165	2.3
99.08092	2.5
103.05464	16.3
104.06231	6.0
104.06886	1.4
105.03348	2.0
105.07021	100.0
107.04929	4.4
107.07925	2.4
107.08582	31.2
109.06497	18.7
109.09405	2.8
109.10141	43.2
111.08064	6.0
115.05452	21.6
117.06989	2.5
118.04146	8.7
119.04878	1.5
119.08570	44.0
120.04492	1.6
121.10155	17.7
123.08054	27.2
123.11678	6.8
125.09634	1.8
131.04897	3.8
131.08534	2.4
132.05682	4.9
133.02867	7.2
133.06476	74.4
133.09177	2.8
133.10107	33.6
134.06851	2.0
135.08067	2.0
135.11673	51.1
137.05939	4.1
137.09598	22.5
138.10318	1.6
143.04994	1.7
143.06000	4.3
145.10106	1.7
147.04424	1.4
147.11662	8.5
148.07536	1.9
149.02255	1.6
149.05942	4.2
149.13261	14.0
150.06680	2.2
151.11118	5.3
151.14786	3.0
153.85272	1.8
160.05151	2.3
161.05971	60.6
162.05473	1.7
162.06667	1.6
165.05498	2.6
165.09062	2.5
175.07466	1.5
175.11156	3.5
175.14793	29.0
175.16315	1.5
178.02544	4.1
178.06183	2.7
193.04961	20.1
193.08562	93.3
193.12193	4.7
193.14119	2.6
193.15860	51.7
194.08798	1.8
194.15407	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03925	1.2
55.05505	16.4
57.03424	1.3
57.07067	5.0
59.04992	4.6
65.03928	2.0
67.05495	32.2
69.02286	0.7
69.03410	1.2
69.07067	9.0
70.50533	1.0
71.04972	2.2
77.03904	1.0
79.05485	11.2
81.07046	14.4
83.04986	4.2
83.08601	3.1
85.06532	24.9
85.10160	1.7
91.05467	8.9
91.69273	0.7
93.07032	21.2
95.04967	5.5
95.08601	16.8
97.06534	1.5
97.10149	1.3
99.08083	100.0
100.08388	1.3
103.05422	2.3
105.07011	13.7
107.08585	22.9
109.06516	8.3
109.10142	58.6
110.10529	1.0
111.08065	1.9
115.05427	1.0
119.04874	0.7
119.08567	12.7
121.02878	1.2
121.10133	7.2
122.07254	0.9
123.08069	7.3
123.11697	7.6
125.13253	1.1
131.08511	1.0
133.02823	3.4
133.06470	4.3
133.10110	18.8
135.11671	27.2
137.05933	1.2
137.09592	22.8
138.10344	1.9
147.11664	2.6
149.02330	8.1
149.13237	1.3
150.03047	1.0
151.06451	0.9
151.11159	9.8
151.14726	0.9
161.05914	4.5
165.05486	2.7
165.16371	3.3
175.14803	7.7
178.02554	3.4
193.04922	10.4
193.08540	1.9
193.15855	60.8
194.16530	0.9
212.71027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03933	0.8
55.01861	0.7
55.05252	0.6
55.05500	8.5
56.03619	0.4
57.07061	2.3
58.19069	0.4
59.04985	1.1
64.77985	0.4
65.03923	0.5
67.01854	2.8
67.05492	15.0
68.32443	0.4
68.60056	0.4
68.99796	1.0
69.03415	0.7
69.07065	3.5
71.00479	0.4
71.04992	0.7
71.44898	0.5
79.05475	4.1
81.03405	1.1
81.06562	0.4
81.07042	8.2
83.04975	2.7
83.08601	1.2
85.02887	1.5
85.06528	10.2
89.45650	0.4
91.05468	9.3
93.07031	10.1
94.07358	0.4
95.04963	2.8
95.08588	9.9
97.06480	0.5
98.20834	0.4
99.08076	13.6
103.05462	0.8
105.07007	14.7
107.04923	0.8
107.07840	0.6
107.08568	10.2
107.71472	0.4
109.06505	2.6
109.10137	23.5
111.08016	1.3
114.70649	0.4
115.05444	0.7
117.07013	0.6
119.04908	0.6
119.08562	8.4
121.10095	3.6
123.04387	0.8
123.08057	1.6
123.11677	1.4
125.05968	1.7
127.03951	1.0
131.04938	0.4
131.08536	1.7
133.02831	1.8
133.04874	0.7
133.06468	4.8
133.10104	27.5
134.05544	0.9
135.11678	11.5
137.05951	1.9
137.09592	14.1
138.10355	0.5
147.04390	4.1
147.08044	0.9
147.11639	4.1
149.05946	0.7
149.07903	0.5
149.09523	0.4
149.13237	1.3
151.03899	1.3
151.07533	0.6
151.11156	2.5
153.01820	2.4
157.10129	0.5
161.04272	1.8
161.05946	4.2
165.05450	0.6
165.16348	0.6
169.04955	1.3
175.07487	0.9
175.11147	1.7
175.14809	5.4
178.02600	0.8
179.05243	0.7
193.04932	100.0
193.12152	2.7
193.15852	19.2
194.05293	2.6
200.39050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69737	0.7
53.03956	1.4
55.01867	1.2
55.05500	16.0
57.03416	0.9
57.07060	5.0
59.04996	4.5
60.43084	0.8
60.95744	0.7
61.81089	0.7
65.03924	1.5
67.05493	30.5
69.03416	1.6
69.07053	9.9
69.07659	1.0
70.52310	1.5
70.52659	0.8
71.04974	2.9
75.80474	0.9
79.05475	12.2
81.07043	17.9
82.13548	0.9
83.04962	4.9
83.08592	3.4
85.06527	27.6
85.10114	1.1
91.05461	9.1
93.07027	24.7
95.04949	4.7
95.08585	21.0
98.23319	1.0
99.08071	100.0
100.08414	0.7
103.05447	2.2
105.03369	1.3
105.07014	15.5
107.08570	24.2
107.79151	0.8
109.06516	7.0
109.10133	65.8
110.10468	2.0
111.08084	1.8
115.05424	1.4
119.04919	1.4
119.08552	15.3
121.02853	1.0
121.10139	6.6
123.08032	8.6
123.11689	7.0
124.08338	0.9
125.09641	1.6
125.13298	0.7
133.02831	3.5
133.06519	4.3
133.10103	20.7
135.11664	26.5
137.05992	1.9
137.09584	20.8
138.10374	1.6
147.11670	3.2
149.02274	5.0
149.13217	1.8
151.06419	1.1
151.11154	9.0
151.30075	0.7
161.05949	5.6
165.05435	2.3
165.06709	0.9
165.16348	3.5
175.14790	7.4
178.02660	1.6
193.04927	7.1
193.08594	2.2
193.15848	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.71286	1.2
53.03949	3.5
55.01861	2.5
55.05252	1.6
55.05505	24.0
57.03435	1.8
57.07056	5.9
59.04993	2.7
63.27186	1.3
65.03911	2.0
67.05494	65.5
69.03413	2.2
69.07059	10.7
70.35992	2.7
71.04984	5.2
77.03942	2.0
79.05477	16.5
81.03395	3.1
81.07047	31.4
83.04963	8.7
83.08608	3.6
85.06529	40.7
91.05470	34.1
91.06042	1.5
93.06443	1.9
93.07027	35.8
94.04179	1.4
95.04962	8.3
95.08595	35.5
96.37068	1.3
97.02847	1.4
97.06526	2.5
99.08081	39.0
103.05453	2.1
105.03411	3.1
105.04483	1.2
105.07014	36.3
107.04934	2.3
107.08582	35.7
108.08959	1.3
109.06511	11.0
109.10139	100.0
111.08083	3.2
115.05475	2.1
117.06995	1.1
119.08559	35.5
121.06532	2.7
121.10130	10.2
122.03640	3.5
123.04417	1.5
123.08058	6.6
123.11693	6.0
131.08560	6.3
133.02832	25.5
133.04799	4.8
133.06482	11.3
133.10109	82.4
133.71851	1.2
134.05560	6.6
134.10454	2.6
135.11676	39.3
136.11949	1.5
137.05980	8.6
137.09595	64.3
145.10088	2.3
147.04384	2.2
147.07971	1.8
147.11684	12.1
149.05942	1.5
149.09610	4.9
149.13219	2.6
150.03157	2.9
151.11122	8.7
151.14793	1.8
157.10152	1.6
160.03822	1.8
161.04247	11.4
161.05917	5.1
165.05463	4.3
165.12796	1.8
165.16336	1.8
175.11128	11.4
175.14781	23.1
178.02615	16.1
179.05316	6.5
193.04947	70.3
193.06793	4.5
193.08589	3.9
193.12202	10.0
193.15855	61.2
194.05318	1.5
194.15520	1.8
202.13425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.51502	0.9
53.03933	1.2
54.35425	1.0
55.01849	3.0
55.05258	2.0
55.05502	26.8
56.19184	1.0
57.03417	3.7
57.07057	5.8
59.04982	2.7
62.62285	1.0
65.03917	1.1
66.41587	1.1
66.44901	0.8
67.05491	34.5
69.03409	3.2
69.07054	21.1
71.04990	7.1
71.08588	1.4
79.05472	13.1
81.03395	3.1
81.07041	32.1
83.04958	8.5
83.08603	14.4
85.06519	8.6
85.10177	1.0
89.23628	0.9
91.05472	12.8
93.07027	24.9
95.04955	7.3
95.08588	55.1
96.08908	1.1
97.02867	1.6
97.06493	4.1
97.10145	4.2
99.08071	16.2
103.05434	3.7
105.04517	1.0
105.07011	32.2
107.04916	2.5
107.08572	30.9
109.06495	16.0
109.10138	80.3
110.10444	1.8
111.08054	6.6
111.40539	1.0
112.35494	0.9
113.09629	1.5
115.05417	2.3
116.65269	1.2
117.06992	2.7
119.04945	1.3
119.08556	78.6
121.02830	1.7
121.06526	1.4
121.10120	30.0
123.07139	1.3
123.08048	27.6
123.11690	18.2
123.12533	2.2
125.09612	2.7
129.06975	1.4
130.06540	1.2
131.04948	2.8
131.08531	3.4
133.02829	3.1
133.06483	9.4
133.10106	50.0
135.08026	1.6
135.11673	41.4
137.05943	1.7
137.09589	31.3
137.13223	3.7
138.10300	1.3
145.10126	1.9
147.04338	1.2
147.08020	3.8
147.11667	10.8
148.07494	1.2
149.09583	1.8
149.13232	10.2
149.60188	1.1
151.11147	13.0
151.14775	4.8
160.05177	1.3
161.04274	1.0
161.05942	4.7
163.14796	1.1
165.05550	1.2
165.09042	1.5
165.16367	9.1
175.07510	4.3
175.11160	2.9
175.14792	49.2
176.15157	1.4
178.02490	2.6
193.04919	10.6
193.06732	1.7
193.08475	7.4
193.12181	3.4
193.15845	100.0
194.16187	2.1
204.75618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	23.3
55.53078	1.7
57.03427	2.4
57.07059	6.0
57.23602	1.6
59.04977	3.2
67.05496	35.4
69.03408	3.8
69.07064	18.1
69.86564	1.6
70.61658	3.5
71.04971	6.9
71.08601	1.8
77.03863	1.6
79.05473	13.3
81.03420	3.8
81.07043	35.5
83.04958	7.2
83.08623	11.8
85.06523	6.1
91.05456	14.0
93.07034	25.2
95.04991	8.1
95.08012	3.3
95.08593	47.6
97.02869	4.5
97.06516	5.7
97.10166	3.0
99.08070	12.9
99.71774	1.7
103.05452	4.4
105.07018	31.0
107.08588	32.6
109.06497	17.4
109.10141	83.7
111.08062	7.5
118.04178	2.0
119.08568	71.7
121.10119	28.8
122.00740	1.7
123.08052	26.7
123.11701	18.1
125.09583	1.6
131.08540	2.7
133.02840	3.6
133.06474	9.5
133.10110	58.5
135.08086	2.8
135.11678	45.3
137.09590	28.7
137.13232	2.6
145.10176	2.5
147.08003	2.2
147.11661	15.1
149.13208	14.2
151.11160	14.5
151.14806	6.1
158.85997	1.7
161.05983	4.9
165.16367	8.1
175.11273	3.2
175.14796	53.3
176.15143	2.6
193.04901	9.9
193.08575	7.1
193.12294	4.2
193.15868	100.0
194.16174	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05500	1.0
63.02353	0.8
65.03938	1.4
67.05494	1.2
69.03409	0.6
69.07047	0.8
70.26587	0.5
70.26911	0.6
77.03893	0.5
78.04709	1.2
79.05491	2.9
81.03418	0.4
81.07054	1.2
82.46714	0.4
83.08602	0.9
85.06484	0.4
89.03904	31.2
90.04238	0.6
91.05466	4.8
93.03400	1.2
93.07047	2.5
94.06557	0.5
95.04972	1.8
95.08603	0.9
97.06532	0.6
99.04441	0.5
103.05443	1.7
105.03391	0.5
105.07007	1.1
106.04177	2.7
107.04945	3.5
107.08586	1.7
109.06510	0.5
111.04428	2.1
113.02353	0.9
114.71265	0.4
117.03362	53.0
117.06972	0.7
118.03701	0.5
119.04932	0.9
119.08585	0.7
121.06487	2.5
121.10140	1.1
123.04419	0.5
123.08038	0.5
124.05114	0.6
125.05973	2.2
129.04480	0.4
130.96263	0.6
131.04962	0.4
131.08569	0.8
133.02847	0.6
133.10080	0.5
134.03622	9.2
134.72211	0.3
135.04405	8.7
135.08047	1.5
135.11684	0.9
136.07549	0.8
137.06015	0.5
137.09647	0.6
139.05412	0.9
139.07549	0.8
145.02823	90.4
146.03139	2.1
148.97371	0.8
149.05957	24.8
149.09549	1.2
149.13243	0.7
149.97180	0.8
150.06342	0.6
153.05431	3.5
159.11688	0.5
162.03098	2.4
162.90788	0.4
163.03882	11.9
163.07532	0.9
165.05479	0.5
167.07042	1.1
167.10643	0.6
171.98972	0.5
177.05440	100.0
178.05865	2.0
178.08588	0.8
186.05525	1.3
194.15396	1.2
195.02808	0.5
195.04456	0.7
195.06514	1.8
195.08427	0.5
195.10153	1.6
195.13826	1.0
195.15723	1.3
196.09625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	Scytalone
Peak:m/z	Relative Intensity
51.02393	0.4
55.01865	0.9
55.05508	0.6
60.08045	0.5
63.02387	0.8
64.09490	0.5
65.03938	1.2
67.05490	1.3
68.99744	0.4
69.03040	0.4
69.07069	0.5
71.04996	0.5
78.04700	1.0
78.32923	0.4
79.05463	2.9
81.07041	1.6
81.26077	0.4
85.06549	0.4
89.03904	22.6
89.06043	0.5
91.05473	5.6
93.03401	1.1
93.07047	2.7
95.04959	2.2
95.08607	0.9
103.05459	1.4
105.03388	0.8
105.04484	0.6
105.07000	1.2
106.04163	1.9
106.05956	0.4
107.04935	3.0
107.08609	2.1
109.06507	0.8
111.04433	1.8
111.08102	0.6
117.03365	46.1
119.04919	0.7
119.08608	0.5
121.06475	2.2
121.10147	1.2
122.06000	0.5
123.04431	0.8
125.05989	2.2
131.96091	0.7
133.02802	0.8
133.06444	0.6
133.10133	1.0
134.03615	6.8
135.04404	9.2
135.07118	0.6
135.08034	2.7
135.11673	1.6
136.07558	1.9
137.06006	0.7
139.03929	0.5
139.05034	0.5
145.02829	95.9
146.03159	2.0
148.97351	1.1
149.05959	22.3
149.09621	1.4
149.97269	0.9
151.07495	1.0
153.01852	0.8
153.05473	4.0
153.97986	0.6
159.11574	0.5
162.03134	2.1
162.05544	0.5
163.03885	10.0
163.06267	0.6
164.07028	0.6
167.07054	1.0
177.05444	100.0
178.05780	2.0
178.08595	1.4
186.05455	1.3
194.15340	1.2
195.01167	0.5
195.02834	1.0
195.06497	2.5
195.08348	0.7
195.10114	2.0
195.13817	1.1
195.15588	1.1
196.09673	1.5
202.39388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
53.52353	0.5
55.01849	2.4
55.05490	2.7
55.76072	0.5
57.03419	0.9
65.03929	4.5
66.21225	0.6
67.05505	3.4
68.96342	0.6
69.03416	1.2
69.07057	3.8
71.04985	1.1
71.44239	0.8
77.03917	0.7
79.05480	7.5
81.03406	0.9
81.07043	5.1
83.04976	1.1
83.08598	1.7
85.06523	0.7
89.06013	0.9
91.05474	6.6
93.03400	5.6
93.07039	4.8
95.04953	3.3
95.08602	4.3
97.06506	0.6
97.10137	1.3
99.04467	0.7
99.08081	1.3
103.05453	23.6
105.04516	1.1
105.07007	10.1
107.04942	35.9
107.08566	4.5
109.02852	1.2
109.06500	1.9
109.10153	1.5
111.04433	6.5
111.08105	1.2
115.05417	3.7
117.06990	2.4
120.05673	2.7
121.05251	0.7
121.06493	2.4
121.10133	3.3
123.08114	0.8
124.05200	2.5
125.05949	1.5
125.09579	1.1
125.29644	0.5
131.04922	3.5
132.04437	1.1
133.06468	0.9
133.10144	0.8
135.04370	0.8
135.07022	1.2
135.08038	17.2
135.11659	3.5
136.07544	5.2
137.13217	1.2
139.03879	28.0
139.11176	0.9
145.07568	0.8
146.03085	0.8
147.04330	0.6
148.05116	0.7
149.13242	1.3
154.06224	100.0
155.06549	1.7
159.11610	0.9
162.05533	1.2
163.03877	1.0
163.07515	28.3
164.07082	2.7
165.05469	0.7
165.06915	0.7
167.07039	5.4
167.08357	1.0
177.05476	0.9
177.12729	1.7
177.16394	2.9
178.08649	3.2
180.07841	1.5
194.15385	1.2
195.06403	1.0
195.08185	1.6
195.10146	8.5
195.11700	1.0
195.13849	1.0
195.15778	1.1
195.17470	1.8
196.09651	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03928	1.9
53.62741	1.5
55.01854	2.6
55.05504	12.8
55.98558	1.6
56.96543	2.1
57.03413	3.5
57.50980	1.8
61.17113	1.3
65.03909	1.8
67.05492	53.5
68.96322	1.5
69.07052	12.3
69.17990	6.2
69.18405	3.4
71.04975	6.0
71.95237	1.5
77.03934	1.5
79.05476	32.4
80.05829	1.6
80.78214	1.5
81.03412	7.8
81.07039	100.0
83.04973	9.2
83.08612	7.2
85.06559	3.0
89.06006	3.5
91.05461	25.1
93.07024	61.7
95.04933	5.1
95.08590	46.0
97.06506	12.2
97.10184	1.5
98.22686	3.5
100.02469	2.8
105.04510	1.6
105.07022	9.5
107.04973	2.1
107.08571	25.0
109.06505	3.3
109.10149	3.1
109.98911	2.1
111.08064	4.0
117.06998	7.8
119.08556	3.3
121.06487	5.9
121.10126	8.0
123.08012	1.6
125.09637	1.8
127.99925	1.6
130.96242	2.9
131.08521	11.2
131.96132	1.9
133.10098	14.9
135.08047	4.8
135.11667	41.1
135.12640	3.0
136.07541	4.4
148.97302	3.9
149.09625	1.7
149.13234	15.3
149.97150	3.9
151.11058	1.6
153.97917	2.5
159.11687	16.8
163.06216	1.9
164.06906	1.8
165.06969	2.3
167.08530	1.6
171.98990	2.0
177.12724	14.0
178.08574	3.3
181.07227	1.7
195.07939	2.6
195.11914	2.5
195.13777	16.3
195.15726	7.8
196.09572	3.3
196.16835	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.97975	0.6
53.03941	2.4
53.28092	0.5
53.28502	0.5
53.87036	0.6
55.01866	11.5
55.05505	11.9
57.03447	1.4
57.07061	1.4
57.37402	0.7
59.04990	0.7
65.03941	1.5
66.83778	0.7
67.05499	38.2
68.99789	1.5
69.03404	0.9
69.07058	10.4
70.38324	1.1
71.04988	8.5
77.03887	1.8
79.05483	33.6
80.64003	0.6
81.03411	2.4
81.07047	100.0
82.07390	0.7
83.04972	17.6
83.08604	3.3
85.06525	3.9
87.04467	2.1
91.05470	15.7
93.07034	57.8
95.04955	5.8
95.08594	47.2
97.06516	25.6
99.04440	0.7
99.08089	1.8
101.06020	1.0
103.05447	0.7
105.04519	1.5
105.07024	8.4
107.04926	2.1
107.08581	22.4
109.06490	4.4
109.10117	2.8
111.08064	3.6
112.11374	0.7
113.06013	1.0
117.06994	7.3
119.08571	3.1
121.06480	4.9
121.10126	7.3
123.08035	1.1
125.09613	1.3
130.96237	0.7
131.08551	9.5
133.10120	11.4
135.08054	6.9
135.11676	41.2
136.07549	1.4
136.12010	0.9
137.09630	0.6
139.03902	0.8
139.07578	0.8
144.09366	0.7
147.11646	0.7
149.09583	1.6
149.13229	17.1
151.11176	1.6
153.09045	3.0
154.06244	2.7
159.10349	1.5
159.11662	16.1
159.12943	1.0
163.07521	1.7
165.12823	0.7
167.14343	0.9
177.12727	17.5
177.14316	0.9
178.08636	0.9
195.10147	0.9
195.13774	17.2
195.15611	1.3
196.09641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	3.6
55.01859	3.7
55.05504	15.7
57.03438	6.7
57.07061	2.1
65.03938	2.5
66.09529	1.2
67.05496	70.5
69.03415	1.3
69.06704	1.6
69.07058	21.3
71.01345	2.1
71.04983	7.5
73.02884	1.4
75.21938	1.2
77.03911	1.9
79.05483	47.5
81.03406	14.2
81.07047	100.0
83.04587	1.4
83.04972	13.3
83.08603	12.8
85.06517	5.0
89.06020	1.6
91.05470	44.5
93.07030	67.6
94.07348	1.2
95.04961	12.1
95.08589	33.1
97.06515	10.9
97.10146	1.7
97.37235	1.1
99.08095	3.6
100.79289	1.1
105.04479	1.6
105.07021	15.7
107.04910	5.5
107.08582	29.1
109.06496	3.8
109.10129	4.2
109.98918	1.5
111.08064	5.9
117.07021	11.8
119.08578	5.0
121.06505	7.6
121.10149	9.8
123.08031	2.3
123.11684	5.0
129.06963	1.6
130.96268	2.1
131.08556	15.2
133.10118	26.3
135.04391	1.3
135.08038	6.0
135.11681	34.4
136.07556	1.3
137.05922	1.5
137.09586	1.6
144.09297	1.5
148.97331	3.1
149.09613	2.7
149.13254	20.8
151.11168	4.4
159.11688	12.0
163.03833	1.4
171.98958	2.1
177.12720	10.9
178.08591	3.0
194.71182	1.2
195.06560	1.2
195.08589	1.7
195.13774	17.5
195.15660	3.0
196.09764	1.4
196.16891	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	5.0
55.01866	5.3
55.05507	20.4
57.03428	4.7
57.07055	3.1
65.03933	3.6
67.05495	71.1
68.05842	1.8
68.96304	1.7
69.03423	3.4
69.07058	18.2
71.01340	1.9
71.04978	9.5
73.02888	1.3
77.03931	1.7
79.05483	47.0
81.03409	15.3
81.07045	100.0
82.07371	1.7
83.04959	14.2
83.08612	13.1
83.74049	1.1
85.02882	1.9
85.06535	5.2
89.06020	3.2
91.05472	46.2
93.07029	70.7
94.07423	1.9
95.04972	10.4
95.08591	39.5
97.06511	14.5
98.22726	1.7
99.04437	1.2
99.08098	2.1
105.04539	2.0
105.07016	14.6
107.04942	3.5
107.08576	30.4
107.09251	2.5
108.08167	1.5
109.06491	4.8
109.10128	4.7
111.04419	1.5
111.08093	5.9
117.06995	18.1
119.08598	4.5
121.05274	1.9
121.06484	7.1
121.10140	11.0
122.06029	1.5
123.08073	2.6
123.11678	1.4
130.31119	1.3
130.96278	1.7
131.08553	15.6
132.04407	2.3
133.10115	26.8
135.08029	4.6
135.11671	37.0
135.12636	2.4
136.07547	6.5
137.09583	1.5
148.97392	1.4
149.04753	1.4
149.13232	20.8
149.97215	1.4
151.11208	4.8
153.97946	1.7
159.11676	14.1
162.05476	2.1
163.32318	1.6
164.07013	2.5
171.98967	1.8
177.12723	13.1
178.08583	6.6
195.11792	2.4
195.13757	20.3
195.15518	3.2
196.09692	4.5
196.16920	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	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01851	3.6
55.05502	28.8
57.03423	4.9
57.07064	21.5
59.04992	4.6
67.05496	18.3
69.03429	7.2
69.07055	35.4
71.04991	7.0
71.06936	1.5
71.08614	3.8
73.06528	1.5
79.05480	20.7
81.07043	35.4
83.04985	8.3
83.08605	17.7
85.06542	7.6
85.10152	2.4
91.05454	13.4
93.07029	43.0
95.04947	5.1
95.08591	51.8
97.06524	6.9
97.10153	8.3
99.08057	9.3
103.05500	1.4
105.07005	17.3
107.04942	11.1
107.08577	60.8
108.88846	1.3
109.06499	3.6
109.10133	41.2
111.04460	1.5
111.08067	10.5
111.11708	4.2
119.06040	1.9
119.08550	8.4
121.06494	2.8
121.10124	100.0
123.08049	4.4
123.11690	16.0
125.09604	17.1
133.07587	2.2
133.10101	3.5
135.04460	2.7
135.08076	6.1
135.11674	42.3
136.07556	3.7
137.09575	7.8
137.13242	11.7
139.07504	3.2
139.11182	6.7
148.97400	1.2
149.05983	1.9
149.09624	2.9
149.13240	7.3
151.14780	8.6
153.12704	2.2
159.11693	3.2
162.05508	2.5
163.03896	1.5
163.07544	3.1
164.07065	1.9
165.16388	14.0
167.07007	3.5
177.05501	2.5
177.09076	1.7
177.12689	4.9
177.16365	37.3
178.08609	4.4
195.10097	2.8
195.13763	5.0
195.15776	1.9
195.17416	33.1
196.09715	1.7
207.92142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15497	2.0
53.03936	3.5
55.01866	10.4
55.05500	37.5
57.07060	8.9
60.45148	2.2
60.66922	2.2
61.96414	2.2
65.03934	3.4
66.70844	2.0
67.05492	13.1
69.03427	17.9
69.07059	59.2
69.23856	12.1
71.04990	10.9
79.05483	24.0
81.07050	48.6
83.04973	6.1
83.08615	28.0
85.06516	14.3
89.03892	6.4
91.05476	15.0
93.03393	3.1
93.07040	37.3
95.04939	8.3
95.08595	70.0
97.10162	15.7
98.22706	4.6
99.08083	62.8
105.03458	2.5
105.07022	7.1
107.04951	20.1
107.08580	68.8
109.06495	4.5
109.10168	22.0
111.04456	4.5
111.08064	29.0
111.11701	5.6
113.09630	8.1
117.03373	8.9
119.08589	2.5
121.02875	5.5
121.06511	3.8
121.10128	87.7
123.08019	3.3
123.11707	10.1
125.05950	4.2
125.09630	53.9
126.09942	2.4
127.11153	3.1
131.08551	3.3
133.02841	4.9
134.03581	2.6
135.04387	12.9
135.08017	3.5
135.11676	30.3
137.05971	3.2
137.13248	28.3
139.03868	11.4
139.07452	2.7
139.11183	6.8
145.02834	16.3
147.04404	2.7
148.97424	2.8
149.02315	16.2
149.05971	12.0
149.09598	3.4
149.13239	9.5
151.07504	6.2
153.05455	6.2
163.03880	49.3
163.07567	2.3
165.05365	2.9
167.06963	4.6
167.08426	3.4
171.99078	3.3
177.05428	46.3
177.12715	3.0
177.16368	100.0
195.01186	4.6
195.02859	39.8
195.06462	3.0
195.07999	3.6
195.10077	4.8
195.11717	3.5
195.13792	3.4
195.15723	5.0
195.17422	32.7
214.06447	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01855	9.5
55.05507	27.8
57.03428	2.3
57.07064	7.3
67.05495	14.2
69.03413	17.5
69.07061	59.7
71.04982	9.7
79.05479	19.7
81.07052	52.1
83.04977	3.5
83.08616	23.3
85.06541	12.4
89.05986	1.7
91.05455	9.7
93.07036	28.3
95.04958	5.1
95.08598	70.1
97.06517	5.6
97.10180	15.4
99.08086	77.7
103.05484	2.6
105.07034	7.9
107.04951	10.4
107.08585	60.9
109.06509	6.8
109.10141	19.0
111.08070	26.6
111.11716	7.6
113.09642	10.6
117.07008	2.3
121.06527	2.8
121.10131	89.1
123.04402	1.7
123.08033	2.3
123.11687	8.4
125.09618	46.9
130.96284	2.9
133.02762	2.9
134.28154	2.3
135.04379	3.7
135.08037	3.8
135.11670	25.2
136.07579	5.6
137.13223	24.7
139.11171	8.3
145.02962	1.8
149.09537	2.0
149.13232	8.7
151.07556	3.4
152.06299	2.1
163.03874	7.6
163.06291	3.0
163.07555	6.9
165.05443	3.4
171.35440	2.1
177.05435	3.9
177.12857	2.7
177.16364	100.0
178.08611	4.6
195.15701	4.0
195.17395	33.2
196.09715	3.4
196.29369	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	195.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.6
55.05502	28.8
57.03423	4.9
57.07064	21.5
59.04992	4.6
67.05496	18.3
69.03429	7.2
69.07055	35.4
71.04991	7.0
71.06936	1.5
71.08614	3.8
73.06528	1.5
79.05480	20.7
81.07043	35.4
83.04985	8.3
83.08605	17.7
85.06542	7.6
85.10152	2.4
91.05454	13.4
93.07029	43.0
95.04947	5.1
95.08591	51.8
97.06524	6.9
97.10153	8.3
99.08057	9.3
103.05500	1.4
105.07005	17.3
107.04942	11.1
107.08577	60.8
108.88846	1.3
109.06499	3.6
109.10133	41.2
111.04460	1.5
111.08067	10.5
111.11708	4.2
119.06040	1.9
119.08550	8.4
121.06494	2.8
121.10124	100.0
123.08049	4.4
123.11690	16.0
125.09604	17.1
133.07587	2.2
133.10101	3.5
135.04460	2.7
135.08076	6.1
135.11674	42.3
136.07556	3.7
137.09575	7.8
137.13242	11.7
139.07504	3.2
139.11182	6.7
148.97400	1.2
149.05983	1.9
149.09624	2.9
149.13240	7.3
151.14780	8.6
153.12704	2.2
159.11693	3.2
162.05508	2.5
163.03896	1.5
163.07544	3.1
164.07065	1.9
165.16388	14.0
167.07007	3.5
177.05501	2.5
177.09076	1.7
177.12689	4.9
177.16365	37.3
178.08609	4.4
195.10097	2.8
195.13763	5.0
195.15776	1.9
195.17416	33.1
196.09715	1.7
207.92142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14768	1.0
53.03941	2.8
55.01872	13.2
55.05506	27.0
56.37544	1.0
57.03427	5.0
57.07071	21.2
58.46557	0.9
59.04992	3.1
65.03931	1.8
67.05498	33.4
69.03420	3.8
69.07059	28.7
69.07440	1.4
70.56802	1.6
71.04989	9.8
71.08612	2.9
77.03912	2.1
79.05485	28.5
81.03413	3.8
81.07046	59.4
83.04972	21.4
83.08614	12.8
85.06533	6.1
85.10162	2.4
91.05464	18.2
93.07030	53.8
94.07391	1.2
95.04961	5.9
95.08595	56.1
97.06516	35.0
97.10168	8.6
99.08091	2.3
103.05453	2.2
105.03421	1.6
105.04516	1.9
105.07018	16.7
107.04931	5.0
107.08579	67.7
109.06525	3.3
109.10139	39.1
111.08096	9.3
111.11701	2.3
117.07018	4.5
119.08582	8.7
121.05249	1.7
121.06508	3.8
121.10126	100.0
122.06025	1.5
122.10455	1.0
123.08091	3.0
123.11694	16.5
125.09609	9.0
129.07063	1.3
131.08574	4.5
133.07538	1.0
133.10138	6.5
135.04419	1.6
135.08043	3.3
135.11673	50.8
136.07553	6.5
137.05951	1.8
137.09587	1.1
137.13252	10.2
139.07547	1.2
139.11137	7.5
147.06761	1.1
149.09570	3.1
149.13239	8.9
151.14796	6.6
159.11688	6.5
162.05513	1.5
163.03903	1.4
163.06306	1.1
163.07532	1.3
164.07060	3.0
165.16374	13.7
167.14217	1.2
177.12788	7.6
177.16357	28.2
178.05022	2.4
178.08562	5.8
195.10149	1.1
195.12164	1.4
195.13835	8.7
195.15668	2.5
195.17410	18.6
196.09686	4.6
203.36066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01871	4.3
55.05503	32.3
57.03424	7.6
57.07067	8.4
59.04990	2.1
67.05501	8.7
69.03421	12.8
69.07056	100.0
69.52809	0.7
70.26442	2.4
71.04996	3.0
71.08630	1.9
71.20245	0.9
73.06561	2.4
79.05478	10.4
81.07046	24.4
83.04973	7.7
83.08607	23.4
85.06528	3.1
91.05488	4.7
93.07036	22.0
95.04945	1.6
95.08589	27.3
97.06516	10.6
97.10153	12.4
99.08094	4.3
105.04546	1.1
105.07021	3.7
107.04958	2.6
107.08580	31.2
109.06493	1.1
109.10143	12.7
111.08068	20.9
111.11727	3.7
112.05155	0.9
119.08617	1.3
121.06524	1.1
121.10130	42.8
123.11674	8.8
125.09612	29.9
125.18048	1.0
135.08081	1.5
135.11682	17.6
136.07568	2.0
137.05940	1.1
137.13246	11.0
139.11163	23.4
148.97307	1.3
149.13251	3.8
151.14783	2.9
153.12729	2.7
154.74123	0.9
163.06311	0.9
163.07544	1.1
177.09155	1.1
177.16342	19.5
178.08647	2.2
195.01221	1.0
195.13704	1.2
195.15681	2.3
195.17407	24.1
196.09708	1.8
212.60800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
54.13530	2.1
55.01855	8.3
55.05505	35.5
55.78334	2.4
56.61098	2.4
57.03424	2.4
57.07057	6.4
59.04978	2.7
62.63317	2.3
67.05498	14.3
69.03421	19.0
69.07057	64.5
69.50525	10.7
71.04980	10.0
79.05483	16.9
81.07046	55.4
83.04967	6.2
83.08614	28.4
85.06543	11.2
89.06040	2.5
91.05462	8.1
93.03340	2.7
93.07037	35.8
95.04953	3.4
95.08592	86.7
97.06527	3.2
97.10150	18.0
98.22748	5.2
99.08081	99.5
105.06998	4.4
107.04920	12.0
107.08578	59.1
109.06478	3.3
109.10146	18.6
111.08076	32.9
111.11686	6.3
112.02930	2.6
113.09635	4.2
113.52689	2.4
117.03349	5.7
121.10126	90.5
123.11687	9.3
125.09615	66.2
135.04439	3.6
135.08076	2.6
135.11674	26.5
137.13239	30.2
139.11145	6.9
145.02873	11.2
149.05939	4.8
149.09503	2.7
149.13228	7.4
151.14807	2.9
153.05385	3.2
163.03886	4.5
177.05428	14.4
177.16351	100.0
177.17894	4.8
178.16655	3.4
195.17401	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	196.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	100.0
57.03443	0.9
58.99866	0.9
59.49942	0.9
60.15106	0.8
68.05007	1.1
69.03420	1.4
72.96049	1.0
74.97584	1.6
79.05496	1.8
91.05468	1.3
97.02914	1.7
98.97559	3.9
101.00845	4.1
107.04960	2.4
108.78033	0.8
109.06529	1.2
112.99139	0.8
116.98615	2.7
119.01907	10.2
127.00677	9.5
128.98540	0.9
129.02232	45.7
131.00209	0.7
131.01881	2.8
134.05977	1.5
134.99561	0.9
135.04314	0.9
136.07578	1.1
136.93066	1.1
137.02937	2.4
139.04193	1.2
142.69321	0.8
145.01706	5.9
145.03513	1.3
147.03275	50.5
149.97185	1.2
150.09140	1.3
154.03384	0.8
154.94177	2.0
155.00110	9.7
155.01874	4.0
163.02913	1.0
165.04332	9.2
170.74301	0.8
171.05016	1.1
172.95206	3.0
173.01225	78.9
173.02898	9.3
173.06592	1.9
174.01523	1.0
175.04591	0.9
175.36041	0.9
176.23277	1.0
178.08621	1.6
191.02255	99.2
191.03748	3.5
193.02657	0.9
196.02838	1.0
196.04434	1.6
196.09673	8.0
196.16959	1.0
196.91820	0.9
197.02876	4.3
209.03296	6.2
214.03772	0.9
214.05609	1.6
214.09311	1.0
215.03961	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0967
Annotation	Damascenine
Peak:m/z	Relative Intensity
57.11626	1.3
59.48089	1.2
67.05492	2.6
69.51517	5.5
69.51857	1.6
79.05496	6.4
80.05001	1.4
81.07038	1.6
91.05461	4.2
93.05769	5.3
94.06558	14.8
95.04969	1.9
104.04967	3.5
105.03381	12.6
107.05004	1.4
108.02119	7.0
108.04468	1.6
108.08108	8.8
109.06489	5.5
118.06533	3.6
120.04428	3.2
121.05239	16.9
122.06017	21.4
123.06782	3.6
124.07605	2.1
132.03520	2.3
132.04443	32.7
133.05173	1.9
134.06023	2.1
135.06747	2.5
136.07562	100.0
137.05977	6.9
137.08362	3.1
138.09129	3.1
139.06294	1.9
146.06041	6.4
147.06778	17.5
148.03938	10.4
148.07550	4.5
149.04716	13.3
150.05498	2.8
154.08597	10.1
162.05484	29.9
163.06268	20.4
164.07043	48.5
165.07716	2.3
165.56557	1.4
178.08609	92.3
179.07082	1.3
179.08870	1.6
196.09673	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	2.1
68.05010	1.5
70.61259	2.0
79.05488	5.6
80.05018	2.4
81.07040	2.8
85.02898	1.7
85.51586	1.0
91.05456	4.3
93.05772	5.2
93.07029	3.0
94.06556	11.9
95.04967	2.5
104.04968	3.8
105.03386	12.3
108.02123	5.3
108.04474	2.0
108.08102	9.4
109.06524	5.6
117.05800	1.7
118.06504	4.2
120.04453	2.9
120.08075	1.5
121.05238	17.9
122.06026	18.6
123.06756	1.6
124.03948	1.5
124.07560	1.8
130.02901	1.1
131.03598	2.1
132.04449	31.7
132.05450	1.5
135.06783	3.6
136.07567	100.0
137.05984	6.1
137.08392	1.2
138.05460	1.6
138.09116	4.3
139.06255	2.7
146.05995	6.0
147.06778	14.3
148.03940	9.9
148.07639	2.8
149.04723	10.6
150.05481	3.3
154.08632	9.6
162.05484	30.5
163.06277	20.4
164.07060	47.6
165.07828	3.6
166.08670	1.7
168.10129	1.1
177.07889	1.2
178.08618	89.9
179.07048	1.2
179.08963	2.1
195.21576	1.0
196.09677	71.9
197.09956	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01865	2.4
55.05500	0.6
57.06492	0.3
65.03934	2.2
67.05502	1.8
69.28477	1.2
69.28886	0.7
70.95842	1.3
72.93800	0.4
73.02911	19.7
77.03922	0.4
80.02644	0.4
83.08597	0.3
85.02855	0.3
89.28033	0.3
91.05474	2.6
93.03408	0.9
95.04958	1.7
95.06905	0.4
95.08557	0.5
105.04496	0.4
107.08633	0.5
108.02099	2.2
110.03641	2.7
111.04419	1.6
111.98463	0.9
113.61687	0.4
119.04906	2.1
121.03997	0.5
121.05181	0.3
123.04467	0.4
125.05978	14.1
132.95816	1.9
133.04794	0.8
136.01538	0.5
136.07568	0.6
137.05981	1.3
137.07924	1.7
138.06355	0.3
141.05481	2.9
149.05954	3.0
150.05127	0.4
150.96892	2.2
151.03896	100.0
151.04996	11.0
151.07433	2.6
152.04175	1.5
155.97403	1.0
163.05811	0.9
164.06693	0.6
165.07440	1.5
173.98505	1.4
179.07014	17.4
179.08893	1.8
179.10542	0.6
180.07361	0.5
197.08078	4.6
197.09984	1.6
198.18500	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	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03928	0.3
55.01863	2.7
63.42127	0.2
65.03938	2.4
65.91898	0.3
67.05499	2.0
70.63293	0.5
70.95866	0.3
73.02911	21.1
77.03925	0.5
79.69921	0.2
80.02599	0.3
91.05473	2.4
93.03393	1.2
95.04955	1.7
97.02867	0.2
98.22824	0.3
100.23109	0.3
105.04523	0.3
107.04928	0.3
108.02083	2.7
109.02815	0.2
109.10143	0.3
110.03653	2.8
111.04458	1.5
111.98485	0.3
114.10307	0.2
118.28164	0.2
119.04949	2.4
123.04404	0.3
125.05980	14.3
128.36827	0.2
132.95813	0.8
136.01543	0.5
136.07579	0.3
137.06000	0.9
137.07912	0.4
137.09660	0.3
140.92133	0.3
141.05453	3.2
141.42670	0.2
149.05972	3.6
150.96902	0.7
151.03897	100.0
151.04999	11.1
151.07391	3.0
152.04239	1.4
155.97417	0.4
173.98457	0.3
179.07013	17.7
180.07370	0.5
194.97740	0.3
197.08093	4.4
198.18515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03934	2.1
54.16917	1.3
54.51524	1.1
55.01854	6.0
55.05503	9.5
57.03414	1.3
57.07050	2.7
59.04985	4.1
59.93418	1.3
62.60482	1.1
62.77781	1.1
65.03920	1.1
67.05489	8.4
69.03408	2.8
69.07047	6.2
70.95857	5.5
71.04977	2.1
71.08619	1.8
71.44111	1.3
72.93755	4.5
73.02890	1.2
79.05479	10.2
81.03394	1.3
81.07039	13.6
83.04962	1.9
83.08600	3.1
85.06505	3.9
91.04939	1.5
91.05468	21.7
93.07029	27.9
95.04951	12.3
95.08610	7.3
97.06517	11.7
99.04463	5.2
105.03371	1.7
105.06344	2.0
105.07016	38.4
107.04929	1.4
107.08577	71.6
109.06508	11.1
109.10135	10.4
111.08044	2.2
111.98494	5.2
117.06967	2.5
119.04902	3.6
119.06057	1.9
119.08553	9.5
121.06493	6.7
121.07178	1.1
121.10121	2.1
123.04386	4.3
123.08006	1.6
123.11681	5.0
125.05973	28.4
127.03902	6.7
128.06247	2.0
129.99467	3.2
131.08527	3.4
132.95837	12.3
133.04762	1.8
133.10106	75.2
134.10439	1.6
135.08034	1.7
135.11667	58.8
136.07568	1.6
136.12001	2.0
137.04926	2.0
137.05951	28.4
137.06982	2.0
137.07866	4.2
137.09587	6.9
143.08549	1.9
146.07149	2.0
150.96851	14.3
151.03848	2.6
151.07320	1.2
151.11174	9.2
152.06949	1.1
155.97397	4.9
161.09589	37.1
165.07376	2.5
165.65027	1.1
173.75259	1.1
173.98471	9.2
179.10638	100.0
180.10899	2.0
197.06039	1.3
197.10074	3.1
197.11681	69.1
198.18504	60.5
198.20033	0.8
198.26666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
50.57138	1.5
52.16919	1.6
55.01848	8.1
55.05503	17.4
57.03401	1.8
57.07058	4.3
59.04980	2.4
67.05488	8.8
69.03399	5.3
69.07040	6.6
70.23904	2.7
70.24239	1.9
70.51295	1.5
70.95861	9.4
71.04973	3.6
72.93767	4.6
79.05081	2.1
79.05482	16.8
81.07046	35.0
83.04952	4.0
83.08598	4.1
88.96899	2.2
89.62217	1.5
91.05461	17.8
93.07025	23.9
95.04955	10.3
95.08585	5.9
97.06501	8.7
99.04420	7.6
105.03423	1.8
105.06338	2.5
105.07006	33.2
107.08575	50.8
108.08854	1.8
109.06500	16.0
109.10137	16.5
111.04404	4.1
111.08030	3.4
111.98448	8.1
115.05457	1.9
119.08538	11.8
121.06490	7.3
123.04399	3.8
123.08037	3.4
123.11679	4.7
125.05967	58.0
125.09522	1.6
127.03890	19.4
128.06177	2.7
129.99480	3.2
131.08504	3.6
132.95802	12.3
133.04749	1.9
133.10104	64.0
135.11664	41.6
136.07567	2.8
137.05956	100.0
137.07831	4.4
137.09569	22.4
138.06285	2.1
141.06952	1.9
143.08525	4.6
150.95769	1.8
150.96880	18.5
151.03824	4.5
151.11153	8.1
155.97351	8.2
156.30315	1.9
161.09592	35.3
165.03758	2.0
165.07445	3.9
173.98468	14.7
179.08961	7.2
179.10617	86.2
180.10965	1.8
194.74606	1.5
197.05858	2.2
197.09865	4.2
197.11678	69.4
198.18489	68.9
199.41371	1.6
211.63620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01867	1.3
55.05506	2.5
57.07054	1.2
59.05000	1.0
61.58924	0.5
65.03931	0.6
67.05513	2.5
69.03417	0.7
69.07065	1.6
69.12681	1.1
69.13078	2.9
70.95860	2.1
71.05012	1.2
72.93772	1.4
77.03911	0.8
79.05470	3.8
81.07043	3.2
83.04974	0.9
83.08615	1.3
85.02960	0.5
91.05463	12.7
93.07037	7.8
95.04955	2.1
95.08601	2.4
95.75813	0.5
97.06481	0.7
105.07016	20.7
107.04958	1.2
107.08579	100.0
108.08927	1.7
109.06490	3.9
109.10135	6.4
111.98446	1.9
114.44901	0.5
115.05453	0.6
117.07000	0.9
118.07813	0.6
119.04960	0.9
119.06049	2.2
119.08585	5.5
121.06503	3.1
121.10120	1.1
123.11679	1.4
125.06031	0.8
125.09603	0.7
131.08524	2.0
132.95821	2.9
133.10109	58.9
134.10402	1.2
135.11674	15.1
137.05997	2.8
137.06873	0.6
137.07921	0.7
137.09570	2.6
141.06915	0.6
143.08606	1.1
146.07184	0.9
150.96866	3.7
151.03896	1.1
151.07536	0.8
151.11168	2.8
155.97395	1.7
161.09598	15.4
173.98442	3.2
179.09012	1.9
179.10638	23.5
197.11699	53.2
198.12096	1.1
198.18503	18.8
210.55417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03935	0.7
55.01869	1.4
55.05503	2.6
55.93480	0.5
57.07067	1.5
59.04995	1.3
61.02914	1.2
65.03931	0.6
67.05500	3.2
69.03423	1.8
69.07061	1.7
69.55991	0.6
69.65683	2.3
70.95850	2.4
71.05003	1.0
72.93788	1.2
73.02885	0.7
77.03884	0.8
78.80676	0.5
79.05480	5.5
80.06580	0.5
81.07040	6.9
83.04955	0.7
83.08607	1.3
85.49500	0.5
87.04509	0.7
88.96889	0.6
91.04931	1.1
91.05467	12.7
93.07031	12.9
95.04948	2.3
95.08600	3.9
97.06532	1.4
98.22746	1.1
99.04427	0.6
105.07018	21.7
107.04950	1.1
107.08576	100.0
108.08897	1.5
109.06492	4.5
109.10139	10.0
111.07999	0.6
111.98465	2.3
112.13388	0.6
113.05968	0.7
115.05451	0.7
117.07058	1.1
119.04945	1.7
119.06032	1.2
119.08568	10.7
121.06469	2.4
121.10120	9.7
123.04531	0.6
123.08025	2.1
123.11669	2.6
128.06253	0.8
129.99527	0.9
131.08551	2.0
132.95816	3.2
133.10106	56.6
134.66133	0.7
135.11661	7.7
136.07472	0.7
137.05933	3.7
137.07909	1.5
137.09581	11.5
139.07533	2.2
143.08533	1.7
146.07211	1.3
149.09592	5.3
150.96889	5.6
151.03827	0.7
151.07527	1.9
151.11148	11.8
152.11559	0.9
155.06953	0.7
155.97412	1.9
161.09599	15.9
167.10645	14.8
173.98439	2.9
179.09012	1.7
179.10626	30.0
197.11693	41.9
198.12097	0.6
198.18488	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	197.1535
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03933	2.3
55.01866	3.9
55.05502	37.3
57.03428	4.5
57.07071	5.4
62.79476	1.2
65.03934	1.4
67.05495	40.9
69.03426	2.3
69.07058	27.2
70.53334	2.7
70.95846	8.1
71.04986	14.5
72.93774	3.5
73.06525	1.7
79.05491	18.3
81.07044	81.6
83.04974	6.9
83.08605	21.9
85.06537	11.7
90.19601	1.2
91.05468	20.5
92.48849	1.5
93.07036	25.4
95.04961	1.7
95.08594	100.0
95.66565	1.3
96.08933	1.7
97.06520	26.3
97.10152	7.2
99.08098	4.8
105.04543	1.5
105.07019	25.5
107.08587	12.3
109.06510	4.0
109.10152	7.3
111.08083	6.0
111.98486	6.5
115.07542	2.0
117.07016	1.5
119.08560	40.2
121.10143	11.3
123.08070	8.9
123.11771	1.2
127.07488	2.1
129.99522	2.3
132.95831	11.1
133.10110	25.5
135.11674	22.2
137.09636	2.6
137.13229	19.1
141.06960	1.4
150.96867	15.8
150.97858	1.7
155.97372	7.4
161.13242	53.9
173.98462	9.8
179.14293	21.7
182.10921	2.2
197.09573	1.4
197.13446	2.2
197.15341	5.6
198.18512	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1535
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03931	2.1
55.01860	4.1
55.05502	31.4
57.03413	3.8
57.07073	5.5
57.07288	1.0
59.04980	1.4
65.03924	2.2
67.05492	41.1
69.03403	1.7
69.07056	27.5
70.53669	2.2
70.95855	5.4
71.01347	7.9
71.04980	14.5
72.93769	3.3
73.06542	1.2
74.92500	1.0
79.05483	23.8
81.07045	79.3
81.34908	1.0
83.04974	6.6
83.08607	21.8
85.02879	1.0
85.06529	21.2
87.04440	2.1
91.05460	24.8
93.07029	23.4
95.04945	2.2
95.08589	100.0
96.08900	1.3
97.06515	38.1
97.10143	6.3
99.08086	6.2
99.08620	1.0
105.03375	5.7
105.07011	20.5
107.08575	12.4
109.06503	4.9
109.10130	12.2
111.08055	9.7
111.98462	5.0
119.08563	31.4
121.10133	8.4
123.08031	7.0
123.11633	2.0
123.88508	1.1
125.09605	2.3
127.07516	1.2
129.99489	2.9
132.95804	10.8
133.10109	23.1
135.11668	15.6
137.05957	1.1
137.09589	3.5
137.13232	11.0
141.06987	1.3
150.96851	15.2
151.03874	4.1
155.10669	5.0
155.97327	5.6
161.13232	51.5
166.26587	1.2
169.10056	1.4
173.98489	8.8
178.07718	1.1
179.08884	0.9
179.10638	1.4
179.14261	23.6
193.68359	1.1
197.05968	3.5
197.11658	2.8
197.13287	2.7
197.15329	16.1
198.18500	47.4
206.44290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1535
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03926	1.3
55.01864	3.5
55.05506	35.3
55.24710	0.8
57.03422	3.6
57.07071	5.1
59.04990	1.2
60.60162	0.8
60.92769	0.9
62.12126	0.8
62.91568	0.9
67.05496	36.7
68.60627	0.9
69.03408	1.7
69.07059	26.1
69.07439	1.3
70.53374	1.0
70.95850	4.9
71.04986	13.8
71.08624	1.2
72.93775	2.2
74.00695	1.0
76.39463	0.8
79.05482	21.4
81.07047	85.2
83.04958	6.6
83.08613	21.9
85.06532	13.5
87.04463	1.6
91.05471	21.7
93.07033	24.3
95.04955	2.7
95.08594	100.0
96.08958	1.2
97.06519	23.3
97.10158	9.2
99.08091	6.6
101.06018	1.4
105.07015	25.5
107.08582	11.1
109.06496	4.6
109.10141	7.0
111.08086	5.0
111.98446	3.8
115.07572	2.0
117.06967	2.0
119.08569	40.3
121.10143	9.8
123.08035	7.7
123.11696	1.2
125.09603	1.2
127.07577	1.2
129.99510	1.5
132.95827	8.8
133.10112	26.1
134.10483	0.9
135.11674	21.6
137.09615	3.3
137.13242	18.4
141.09068	1.7
150.96890	11.5
151.11172	1.3
151.14836	1.2
155.97417	4.8
161.13237	51.1
170.95953	1.0
173.98526	7.0
179.14293	21.4
185.93382	0.9
197.09950	0.9
197.13480	1.5
197.15350	7.4
198.18506	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	198.076
Annotation	(S)-alapyridaine
Peak:m/z	Relative Intensity
53.03936	1.8
55.01859	3.4
55.05494	1.9
56.96555	7.0
57.07052	2.6
58.02955	6.7
65.03933	23.0
67.05492	5.6
69.03411	4.0
69.07067	2.6
69.11143	1.2
71.04966	2.1
77.03913	1.7
78.03405	1.3
79.05489	2.9
80.01369	16.5
80.05000	1.6
81.03401	1.6
82.06555	3.0
83.04990	1.6
83.59906	1.0
85.02907	1.0
91.05479	2.0
92.04993	39.8
93.03399	14.0
93.05766	3.8
94.04211	1.2
95.04955	12.8
95.06056	1.3
97.02883	6.2
97.06526	1.6
97.69267	1.1
98.97581	1.3
99.04420	4.2
101.00848	1.9
105.03373	2.9
106.06544	2.0
109.05267	2.5
109.06483	5.0
110.06020	9.8
111.04431	15.6
112.03953	70.4
118.03559	1.9
118.06525	2.8
119.01884	2.4
120.04453	100.0
121.02872	8.2
123.04427	1.4
123.06800	2.5
124.07570	9.8
124.18773	1.0
125.05978	2.5
130.02901	8.2
131.05516	5.8
134.05992	6.0
136.03867	2.3
136.07545	2.2
137.04718	2.9
137.05934	2.1
138.05472	12.3
139.03862	4.4
148.03918	44.6
149.06573	4.3
152.07045	100.0
153.05415	6.9
153.07417	2.2
155.10565	1.0
157.03412	1.5
159.03926	1.4
162.05530	6.4
163.68839	1.1
164.03360	5.2
165.04195	17.7
166.04953	8.8
171.05034	1.1
172.08130	2.6
175.02893	2.2
175.04495	5.3
180.06525	48.7
190.08990	1.4
198.07588	72.4
198.18498	27.4
199.07921	1.5
200.87772	1.4
217.05589	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01852	1.0
55.05501	6.6
57.03426	0.4
57.07071	4.1
58.06581	0.5
60.08141	1.2
67.05476	1.1
69.03407	1.0
69.07058	4.6
70.06589	4.0
71.04980	1.2
71.08616	1.5
72.04511	0.9
72.08141	0.4
74.09710	0.5
75.83453	0.4
77.00905	0.5
79.05477	1.0
80.05030	0.4
81.03413	0.8
81.07042	1.6
82.06578	0.8
83.04939	0.4
83.08616	4.9
84.04520	0.3
85.02894	2.5
86.06043	0.8
86.57404	0.3
90.36349	0.4
93.07043	1.4
95.06077	4.0
95.08572	1.2
96.08126	0.5
97.02868	1.9
97.06503	0.8
97.10171	2.5
99.03999	0.3
99.04448	3.4
100.02460	1.6
100.07585	1.4
101.00871	0.9
103.02432	0.8
107.08574	0.9
111.04408	0.7
111.08080	0.4
114.09168	0.7
114.94703	0.4
118.03507	2.3
119.01891	3.2
120.01971	1.3
120.04397	0.8
121.01648	0.6
121.10140	0.5
129.03955	0.4
131.05522	5.4
136.04556	1.3
137.02908	1.1
138.03023	0.4
145.04927	0.7
149.06581	5.4
150.78195	0.4
152.07008	0.9
154.07108	0.8
154.13303	0.9
156.97467	0.8
157.03448	0.7
159.03995	0.8
163.08672	0.6
170.02986	0.8
170.06641	0.7
171.04979	0.7
172.08174	2.1
173.06615	1.3
174.98466	0.6
175.04504	3.7
180.06541	0.4
181.09709	0.5
190.09222	1.2
191.07570	0.5
193.05557	1.5
198.03102	0.8
198.06024	1.4
198.07626	1.1
198.18507	100.0
199.04486	1.1
199.18864	2.1
213.47224	0.4
216.07166	1.9
217.05498	1.8
219.65479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0451
Annotation	2,4-Dinitrophenylhydrazine
Peak:m/z	Relative Intensity
53.03942	4.0
53.42772	0.7
55.01857	2.3
55.05504	10.0
56.38345	0.7
56.96554	7.2
57.03428	0.9
57.07058	4.1
58.99844	1.6
60.08158	0.9
61.02900	0.9
62.50112	0.8
66.61045	0.8
67.05494	2.5
68.32789	0.8
68.33164	0.7
69.03413	3.0
69.07061	7.8
70.06583	7.8
70.07398	1.1
71.04983	40.5
71.06886	0.9
71.08614	1.5
71.17501	1.3
72.04508	1.1
72.08139	2.8
74.09711	5.2
77.00903	1.2
79.05466	2.5
81.02958	1.1
81.03406	17.3
81.07050	2.0
82.99860	0.9
83.04957	2.1
83.08617	5.7
84.04486	1.0
84.08115	1.0
84.96035	1.3
85.01392	1.6
85.02895	2.7
86.06042	1.7
93.07027	2.2
95.04939	3.6
95.06078	5.5
95.08583	1.6
96.06413	1.3
97.02892	3.8
97.06487	1.4
97.10165	2.4
98.97572	14.7
99.04440	100.0
100.02490	0.9
100.07601	2.2
101.00860	13.8
102.00975	0.8
103.02438	7.2
107.08585	1.6
109.07649	1.1
111.04429	3.6
113.00903	1.0
113.04451	2.2
115.02407	2.9
116.97251	4.8
116.98603	14.4
118.03440	0.9
119.01901	54.0
120.02017	1.7
121.01646	5.4
121.03452	3.6
121.07626	2.5
122.05954	0.8
123.04495	1.3
125.02335	1.4
125.07081	0.9
129.03952	3.4
131.01872	1.4
131.05524	41.8
131.99538	1.7
132.05675	3.0
133.03423	3.6
134.02922	1.1
134.04767	0.9
134.99632	8.0
135.09152	2.0
136.07542	1.0
137.02937	17.7
137.06107	0.9
139.02632	1.7
140.04683	10.3
143.01822	1.3
147.04996	2.3
149.06577	48.8
150.06744	4.5
151.08684	1.1
152.07095	1.0
153.00641	1.1
153.03935	1.7
153.05411	1.1
155.05405	0.8
155.07092	1.4
156.97478	6.4
157.03435	15.3
159.54039	0.9
163.08676	2.9
165.20300	0.8
171.05008	29.7
173.05324	0.5
173.06584	25.6
173.08224	2.6
174.98557	9.0
175.00905	2.7
175.04492	63.6
175.98534	2.4
176.02197	1.1
176.04660	2.8
176.05962	1.7
181.03395	0.9
181.09703	2.4
182.08052	3.9
189.06056	13.8
191.07645	12.8
191.09305	1.0
193.03862	1.4
193.05568	14.4
198.18503	94.1
198.98546	1.8
199.02858	1.4
199.04489	40.4
199.10826	2.5
199.18861	24.5
200.04504	1.2
216.99860	1.7
217.05539	52.8
217.07210	2.2
218.05623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66592	0.5
53.03933	0.6
55.01870	0.6
55.05506	3.9
56.96524	0.6
57.03415	0.5
57.07058	2.3
58.07384	0.5
58.97419	0.5
59.04981	1.1
67.05482	4.5
69.03407	0.6
69.07057	6.0
69.76869	1.8
70.46815	0.5
71.04964	0.8
72.04492	0.6
74.09712	5.3
75.94567	0.6
79.05476	7.1
81.07040	5.6
83.04960	2.2
83.08624	2.6
86.09678	0.7
91.05458	3.4
93.07030	19.0
95.04951	1.7
95.08574	3.3
97.06507	2.3
97.10136	1.3
98.97582	2.4
100.07583	2.0
105.07008	7.2
107.04927	0.7
107.08569	10.1
107.69407	0.5
109.06478	0.5
109.10135	6.4
111.04431	1.8
116.97211	3.7
116.98603	1.7
119.08553	4.2
121.10122	100.0
122.10449	1.7
123.08035	2.4
125.05979	2.7
128.06146	0.5
131.48943	0.6
131.99507	1.0
133.07584	1.3
134.95868	0.7
135.09166	0.6
135.11668	12.0
139.07526	1.4
139.11122	2.7
140.04655	2.1
143.08565	1.2
145.10114	1.8
145.44104	0.5
152.96909	1.3
153.09015	0.6
153.12701	1.0
155.07098	0.5
157.10123	1.0
163.08749	1.2
163.11163	7.6
171.08029	0.6
175.98518	2.0
181.09732	1.1
181.12201	17.1
198.18497	24.3
199.07555	2.5
199.10974	1.1
199.13184	0.8
199.14896	1.2
199.18842	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07133	1.3
53.03933	1.6
53.35249	1.1
55.01866	4.4
55.05508	22.4
56.05835	2.0
56.96551	1.3
57.03432	4.0
57.07066	8.8
57.84500	1.5
57.93545	2.4
58.07406	1.3
59.05007	1.8
67.05500	24.0
69.03429	8.8
69.07060	44.9
70.07394	1.9
71.04996	9.9
71.08617	2.7
71.43782	1.6
72.04505	3.5
72.08154	3.1
73.36212	1.4
74.09713	18.6
79.05482	20.2
81.03404	1.5
81.07051	22.5
83.04974	25.5
83.08620	10.5
84.08936	1.8
84.16048	1.3
85.02892	2.0
85.06528	8.4
86.06033	1.8
86.09698	4.4
91.05462	12.9
92.71689	1.2
93.07041	33.4
95.04962	8.6
95.08598	30.2
97.02907	1.8
97.06523	100.0
97.10158	5.4
98.10532	1.8
98.97591	7.5
99.04521	1.3
99.08101	2.7
100.07608	5.9
101.05998	5.1
103.05494	1.3
105.07018	13.1
107.04974	4.0
107.08590	31.6
108.08867	1.5
109.06479	5.2
109.07650	2.9
109.10142	43.5
111.04444	8.8
111.08090	13.6
111.11706	1.5
113.06009	2.9
115.05495	2.1
116.97207	15.6
116.98623	4.3
117.06989	4.1
119.08559	10.6
121.06492	14.1
121.07604	2.9
121.10139	22.7
123.08082	8.2
123.11621	2.2
124.73306	1.3
125.05991	13.6
125.09615	35.7
127.07512	2.1
128.06248	4.5
129.05495	1.7
129.07033	4.0
130.07759	2.6
131.99518	4.0
133.10141	3.4
134.95854	1.3
134.99675	3.0
135.08055	10.5
135.09094	2.8
135.11665	20.3
137.09593	23.8
139.07503	9.5
139.11159	12.3
140.04703	2.5
142.07744	3.3
143.08533	9.0
145.10114	12.4
151.11108	2.7
152.07144	1.5
152.96941	6.0
153.09079	22.6
153.12706	8.6
155.07045	2.8
155.10667	2.2
156.09303	2.0
157.06516	1.6
157.10123	9.7
163.08716	2.9
163.11166	26.1
163.14867	2.1
167.06938	2.7
170.10956	1.6
171.08012	2.7
171.11641	3.3
175.98514	10.4
181.07622	3.8
181.09839	3.2
181.12219	44.7
182.08136	3.1
198.18513	67.8
199.07295	6.5
199.10960	5.1
199.13226	9.4
199.14880	12.9
199.18863	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.6
54.35580	0.5
55.01850	1.0
55.05500	4.9
56.05830	0.6
57.07060	1.6
57.93550	0.6
59.04975	1.0
61.02938	0.5
67.05497	4.3
69.03405	1.8
69.07059	5.4
70.05728	0.8
70.06055	0.9
70.07388	0.6
71.04967	2.0
71.08606	0.8
72.04517	0.6
74.09713	5.1
79.05486	8.9
81.07048	6.6
81.09748	0.7
83.04962	2.0
83.08609	2.8
85.02888	1.3
85.06554	1.0
86.09692	2.0
91.05466	3.2
93.06440	1.1
93.07030	21.3
95.04954	1.5
95.08589	4.6
97.06515	3.4
97.10152	0.7
98.22859	0.8
98.97549	1.7
99.04414	0.6
100.07594	1.5
105.07011	7.2
107.04926	0.9
107.08582	12.4
109.06499	0.8
109.10136	6.3
111.04424	1.8
111.08064	1.0
113.05973	0.7
116.97203	4.5
116.98585	1.3
119.08543	4.7
121.10123	100.0
122.10474	1.6
123.08035	2.6
123.11752	0.5
125.05956	3.8
125.09611	1.1
128.06172	0.7
131.99593	1.2
133.07622	1.5
134.99614	0.6
135.08078	1.1
135.09145	0.9
135.11670	10.9
137.09630	0.7
139.07553	1.6
139.11163	2.6
140.04619	0.8
142.07771	0.5
143.08528	1.4
145.10112	2.1
152.96883	1.0
153.12723	0.9
155.07010	0.8
157.10138	1.3
163.11171	8.6
163.14722	0.6
175.98544	2.1
181.12206	15.9
182.12630	0.8
198.18497	16.9
198.20285	0.9
199.10909	1.3
199.13217	0.6
199.14943	0.7
199.18849	19.7
214.94022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1692
Annotation	Chokol A
Peak:m/z	Relative Intensity
52.64820	1.0
53.03933	3.0
55.01865	6.4
55.05505	32.6
56.05838	1.2
57.03150	1.3
57.03422	7.6
57.07057	4.8
57.17436	1.3
57.93541	1.1
58.07377	1.5
61.70164	1.2
65.27971	1.1
67.05495	41.0
69.03397	1.7
69.07059	70.0
69.51279	4.1
71.01313	1.4
71.04984	23.4
72.04498	1.9
73.06533	5.2
74.09700	10.0
75.94592	2.0
78.47458	1.3
79.05486	22.1
80.05824	1.1
81.07046	100.0
82.07397	1.8
83.04974	2.5
83.08608	33.9
84.08926	1.6
85.06526	16.2
91.05465	5.9
93.07029	25.4
95.04945	3.3
95.08591	44.2
96.96491	1.1
97.06516	7.5
97.10128	5.7
98.97575	5.2
99.08089	12.7
100.07600	4.0
105.07011	4.1
106.75533	1.2
107.08574	29.5
109.06509	1.2
109.10141	4.5
111.04429	2.9
111.08043	6.2
116.97218	13.5
116.98588	4.3
119.08617	1.6
121.10123	28.3
123.11694	13.0
125.09616	9.4
128.06197	2.2
131.99495	3.1
134.95905	1.4
134.99638	1.7
135.08073	1.1
135.11665	5.5
136.29398	1.2
137.13184	1.3
139.11273	1.3
140.04651	4.4
142.07747	2.9
143.08549	5.1
151.03476	1.0
152.96906	4.0
153.38499	1.1
155.07011	1.4
155.08588	1.3
156.09329	2.2
157.10088	6.4
163.14787	21.4
168.05655	1.6
169.10150	1.5
170.10887	1.9
170.97987	1.4
171.11674	2.9
175.98514	6.9
176.02299	1.3
181.15846	5.0
184.05209	1.6
199.07506	3.6
199.10846	2.3
199.15031	10.3
199.16920	4.9
199.18840	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64820	1.0
53.03933	3.0
55.01865	6.4
55.05505	32.6
56.05838	1.2
57.03150	1.3
57.03422	7.6
57.07057	4.8
57.17436	1.3
57.93541	1.1
58.07377	1.5
61.70164	1.2
65.27971	1.1
67.05495	41.0
69.03397	1.7
69.07059	70.0
69.51279	4.1
71.01313	1.4
71.04984	23.4
72.04498	1.9
73.06533	5.2
74.09700	10.0
75.94592	2.0
78.47458	1.3
79.05486	22.1
80.05824	1.1
81.07046	100.0
82.07397	1.8
83.04974	2.5
83.08608	33.9
84.08926	1.6
85.06526	16.2
91.05465	5.9
93.07029	25.4
95.04945	3.3
95.08591	44.2
96.96491	1.1
97.06516	7.5
97.10128	5.7
98.97575	5.2
99.08089	12.7
100.07600	4.0
105.07011	4.1
106.75533	1.2
107.08574	29.5
109.06509	1.2
109.10141	4.5
111.04429	2.9
111.08043	6.2
116.97218	13.5
116.98588	4.3
119.08617	1.6
121.10123	28.3
123.11694	13.0
125.09616	9.4
128.06197	2.2
131.99495	3.1
134.95905	1.4
134.99638	1.7
135.08073	1.1
135.11665	5.5
136.29398	1.2
137.13184	1.3
139.11273	1.3
140.04651	4.4
142.07747	2.9
143.08549	5.1
151.03476	1.0
152.96906	4.0
153.38499	1.1
155.07011	1.4
155.08588	1.3
156.09329	2.2
157.10088	6.4
163.14787	21.4
168.05655	1.6
169.10150	1.5
170.10887	1.9
170.97987	1.4
171.11674	2.9
175.98514	6.9
176.02299	1.3
181.15846	5.0
184.05209	1.6
199.07506	3.6
199.10846	2.3
199.15031	10.3
199.16920	4.9
199.18840	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1691
Annotation	Chokol A
Peak:m/z	Relative Intensity
52.88302	0.6
53.03925	1.5
55.01866	6.4
55.05503	35.0
56.05835	0.9
56.96560	0.7
57.03430	2.6
57.07065	2.3
57.25696	0.8
57.93548	1.5
59.84294	0.6
61.80628	0.7
65.03920	1.2
67.05493	15.1
67.91733	0.8
69.07056	100.0
69.47359	1.7
70.07394	1.5
71.04980	7.1
72.04503	1.3
73.06546	9.5
74.09710	7.6
75.94599	0.9
79.05483	19.1
81.07045	41.8
83.04975	2.1
83.08604	35.7
84.08923	1.5
85.06522	7.1
86.09693	1.3
88.48069	0.7
91.05470	2.5
93.07035	12.0
95.04945	1.2
95.08588	20.9
97.06519	12.4
97.10146	2.5
98.97565	6.6
99.08085	4.6
100.07603	3.1
103.06898	0.7
105.07010	1.8
107.08572	13.5
108.08906	1.3
109.07602	0.9
109.10132	1.9
111.04411	2.5
111.08086	4.7
115.05386	1.2
115.07555	1.5
116.97208	12.2
116.98582	4.3
119.08458	1.1
121.10121	12.0
123.11713	3.5
125.09615	11.7
128.06204	1.4
129.06982	1.0
131.99509	3.0
134.95778	1.1
134.99614	2.9
135.09116	0.8
135.11676	2.4
139.11151	2.4
141.07018	0.9
142.07770	1.6
143.08525	2.9
152.96902	3.7
155.08578	0.8
156.05617	1.1
156.09384	1.0
157.10031	3.9
163.08659	1.5
163.14813	8.0
165.69386	0.7
171.08015	1.0
171.11682	1.2
175.98479	8.6
176.02278	1.6
177.65245	0.7
181.09811	0.9
181.15855	5.4
184.05209	1.6
199.07544	2.5
199.11055	2.2
199.14799	3.9
199.16890	4.3
199.18825	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	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60723	1.3
55.05509	1.4
56.96560	13.7
70.65951	2.4
74.09698	1.6
84.01217	1.3
94.00237	1.3
94.62832	1.5
95.55549	1.3
98.97573	100.0
99.97891	1.8
101.00897	2.3
101.07983	1.5
102.02241	1.7
116.98607	66.3
118.03538	1.7
119.01907	5.9
129.26347	1.7
134.99651	26.9
137.03015	1.8
140.00151	2.2
153.00627	1.9
158.01321	1.8
158.99750	1.5
160.04497	1.7
173.22578	1.2
177.00867	16.7
199.18896	6.3
199.98967	4.4
219.01962	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	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05506	7.0
55.40910	2.2
56.58382	2.4
56.96558	24.8
69.03417	2.7
69.07050	3.2
69.28651	11.1
70.06567	10.8
71.04985	15.8
72.05326	2.4
72.08137	9.0
74.09721	13.7
81.03401	10.1
81.07037	3.1
83.08614	4.2
84.04490	5.3
84.08125	3.4
85.02885	4.0
91.05457	3.1
97.02871	5.8
98.06094	2.3
98.22725	3.3
98.97571	100.0
99.04454	30.0
100.04787	9.1
100.07595	4.0
101.00854	10.6
102.00983	2.6
116.98612	85.4
118.24280	2.3
118.96787	2.6
119.01913	45.3
120.02011	14.7
120.03198	2.5
121.01633	5.4
126.09196	3.2
128.98651	2.5
129.10254	4.7
131.05518	2.5
132.05690	8.4
133.05339	5.4
134.99648	49.1
136.00079	2.2
137.02962	18.0
138.03159	4.2
149.06610	3.9
150.06680	12.8
151.06299	5.7
153.00706	7.0
154.03479	3.2
154.08632	7.3
157.97554	4.9
158.01213	8.2
158.99577	4.5
161.02980	2.7
162.89627	2.3
165.02229	2.3
172.05162	7.8
172.07582	3.1
174.06735	8.2
175.04578	2.6
175.06319	2.1
175.98637	7.9
176.02255	7.0
176.04694	13.0
177.00697	9.8
177.04219	4.8
182.08167	3.3
190.06302	2.9
192.07744	5.7
194.05721	5.2
195.01591	4.9
195.05083	3.5
199.18883	52.6
200.02646	2.4
200.04712	14.7
200.07405	5.0
200.09203	5.7
200.12630	3.7
200.19156	8.0
201.04379	2.5
201.06116	5.4
208.74228	2.6
217.99681	2.3
218.05682	21.0
218.08908	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	201.112
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
51.67978	1.2
52.51509	1.5
55.01863	4.2
55.05494	6.1
57.07045	2.1
62.89575	1.4
67.05492	37.9
69.03427	1.6
69.07059	5.7
69.75672	4.7
69.76022	1.8
70.41994	1.3
71.04988	2.8
79.05500	7.7
81.07048	32.6
83.08586	1.6
85.06506	1.9
91.05461	4.9
93.07045	7.8
95.04958	4.4
95.08594	22.4
99.04420	4.9
99.08066	3.7
105.07024	4.4
105.42365	1.4
107.08578	6.0
109.10145	100.0
110.10498	1.6
113.62804	1.4
116.62801	1.5
117.06998	4.8
118.96754	9.3
119.08585	9.0
121.10136	3.6
125.05962	13.5
128.06204	2.6
129.06989	3.5
131.08591	7.6
133.10147	2.8
133.99106	2.1
137.09599	93.2
141.06932	2.1
143.08537	2.7
144.09341	1.7
145.06502	3.6
145.10117	15.9
154.96497	4.0
155.10637	21.4
157.06445	3.9
158.03615	2.1
158.07303	1.6
159.11659	12.0
165.09093	19.2
173.05978	2.9
173.09563	2.5
173.13245	3.9
177.98030	6.1
183.10100	3.7
199.01501	1.7
200.19006	2.0
201.05481	5.3
201.09023	9.3
201.10875	1.9
201.12706	3.6
201.16365	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	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
52.88546	0.6
55.05536	1.5
57.07078	0.9
65.03967	1.0
66.97091	0.7
67.05489	4.8
69.03465	1.0
69.07083	1.3
69.38425	3.2
79.05477	3.2
81.07047	5.7
85.93353	0.7
91.05469	10.3
93.07034	5.8
95.04999	2.7
95.08585	4.9
96.89005	0.7
98.22642	1.1
102.04700	1.3
102.95316	0.6
103.94763	0.8
105.07017	11.2
105.07618	1.0
107.08578	3.6
109.06571	2.0
109.10130	3.2
115.05427	7.5
116.06252	1.2
117.06997	8.6
117.53953	0.6
118.96729	6.0
119.08557	17.6
121.06506	2.6
121.10143	1.7
123.05551	0.6
128.06174	4.5
129.06966	8.4
130.04128	3.4
130.07787	3.1
131.04906	0.7
131.08548	35.6
132.08868	0.8
133.10110	39.0
133.99101	1.7
134.10417	0.8
137.09616	3.8
141.06992	2.8
142.07771	2.9
143.04945	0.8
143.07416	1.4
143.08542	27.5
144.05716	1.0
144.09329	9.6
145.06479	8.4
145.10104	35.2
146.07248	0.7
147.11685	1.1
153.06978	2.0
154.96475	2.3
155.06030	0.9
155.08533	3.0
155.10623	1.0
156.09328	1.2
157.06512	1.3
157.10104	4.7
158.03609	8.4
158.07288	4.3
158.10889	36.0
159.08029	11.1
159.11684	13.0
160.08803	0.8
161.09599	1.2
165.09053	0.8
168.09302	3.0
171.08025	10.2
171.11664	2.7
171.69469	0.7
172.08800	10.9
172.12457	1.2
173.05975	11.4
173.09628	13.0
173.13232	100.0
174.13583	2.2
177.98091	3.2
183.11720	4.5
185.09601	1.0
186.03098	3.1
186.10370	37.9
201.05409	26.2
201.09055	6.6
201.12709	77.3
201.16356	12.1
202.05748	0.9
202.12987	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	201.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05505	25.4
55.45731	1.0
57.07071	7.0
67.05496	67.0
68.05841	1.0
69.07066	12.5
71.04984	22.3
71.08616	1.0
79.05486	4.2
81.07047	64.8
83.08607	30.7
83.20618	0.8
85.06527	16.8
85.10165	1.2
86.02266	0.9
86.09683	1.0
91.05465	2.2
93.07044	4.5
95.08594	100.0
96.08910	1.7
97.10161	8.8
99.08101	3.1
105.07040	2.1
107.08603	3.0
109.10143	71.1
110.10509	1.1
115.05454	1.1
117.07037	1.9
118.96751	2.1
119.08561	2.1
121.10067	1.1
123.05531	1.1
123.11699	12.7
126.70735	0.8
127.11174	1.7
128.06215	1.5
129.06972	1.5
131.08571	3.9
133.10098	1.7
137.13275	1.4
141.12726	0.9
145.06485	1.1
145.10107	5.8
149.58305	0.9
159.04398	0.9
159.11667	4.8
165.16385	3.3
173.05949	1.7
173.13278	2.2
177.19717	0.9
183.17407	5.2
201.05473	3.4
201.09023	2.1
201.12724	3.2
201.16429	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	202.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28167	3.6
66.31325	3.7
69.32025	20.1
100.02473	11.0
101.00867	27.1
113.62849	4.0
115.35077	4.0
118.03498	4.8
119.01902	100.0
120.01973	7.5
121.56897	3.8
124.02451	4.1
137.02930	30.3
142.03481	31.7
159.69482	3.9
160.04594	19.8
160.05728	3.8
161.02931	20.2
178.01024	8.2
179.00681	7.1
179.03963	43.0
215.74762	4.1
220.02048	21.5
221.01656	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	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.2
55.05506	5.4
56.05841	1.7
56.96558	5.1
57.03416	1.5
58.06607	1.2
59.04996	1.6
60.95848	1.4
62.06079	4.9
65.71038	1.2
69.03400	1.2
70.06581	5.6
70.44331	2.9
70.99875	1.3
71.04983	2.6
72.04517	1.1
73.01169	1.0
79.05515	1.4
81.03429	1.3
81.07056	1.3
82.99847	1.7
84.04494	2.1
84.08123	3.0
85.02892	1.4
85.06529	2.2
86.09706	15.8
86.18673	1.2
91.05484	4.2
97.02888	1.5
98.97583	7.9
99.04440	5.2
100.02470	3.5
100.04788	5.0
101.00873	22.5
102.00932	8.4
102.09174	17.2
103.00584	1.7
116.07110	1.3
116.91257	1.2
116.98629	4.3
118.03506	1.5
119.01910	100.0
120.01987	57.1
120.05727	4.8
121.01654	17.8
122.02133	1.1
122.06208	1.4
127.41501	1.3
128.06213	1.8
128.98462	1.4
129.06970	7.1
130.36374	1.1
131.01884	2.6
131.08595	3.4
132.02000	2.9
132.05705	1.5
134.05692	1.5
134.99644	4.7
137.02948	29.8
138.03036	28.9
139.02658	7.7
142.03455	12.5
143.01871	12.6
143.03622	2.1
143.07069	4.9
150.06813	1.8
156.08023	2.6
156.97469	1.8
157.06483	6.0
159.08069	1.4
160.02840	2.7
160.04468	7.5
161.02942	57.6
174.05344	2.7
176.06648	1.7
178.01044	3.0
178.04523	2.1
178.06111	2.1
179.00772	1.3
179.03990	13.9
179.05486	2.0
179.99101	2.6
184.04880	3.7
184.07411	1.8
184.09714	1.8
191.04044	1.6
195.05360	1.3
196.99435	1.4
197.01082	1.5
202.02623	3.5
202.06264	13.8
202.08740	4.4
202.10619	2.0
202.18007	19.8
203.03854	2.1
203.05559	3.4
203.07263	1.4
220.02103	4.9
220.03807	2.8
220.05585	2.7
220.07420	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	202.086
Annotation	2'-Aminobiphenyl-2,3-diol
Peak:m/z	Relative Intensity
51.93292	0.4
55.01860	1.8
55.05506	0.4
56.47419	0.4
67.05484	0.9
69.07073	0.3
70.09705	1.1
79.05489	0.4
81.07034	0.6
89.84065	0.4
91.05466	15.6
93.07058	0.5
95.08601	0.7
103.05463	0.9
105.07015	1.2
107.08583	0.6
108.52800	0.4
109.10127	0.5
111.66383	0.4
115.05430	12.1
115.06226	0.8
116.06225	2.8
117.07011	4.6
119.08537	1.1
124.18426	0.4
128.06203	12.4
128.07188	0.6
129.06982	70.1
130.06496	0.5
130.07330	1.5
131.04906	1.5
131.08545	39.2
132.08061	3.4
132.08867	0.7
133.06458	2.4
139.05371	0.6
141.06966	48.0
142.06419	4.1
142.07428	0.8
143.04890	8.3
143.06001	0.5
144.05685	3.6
145.06473	0.9
145.10129	1.6
146.05994	0.8
155.06010	2.4
156.08055	21.6
157.06462	90.5
158.06841	1.5
159.04469	0.5
159.08078	2.5
159.11714	0.8
160.07539	13.1
160.12024	0.7
161.05865	0.6
166.06523	0.9
173.13171	0.4
174.09119	19.5
175.07492	1.8
175.09531	0.6
184.07549	32.0
185.05952	8.5
185.07640	0.6
201.16353	0.7
202.08591	100.0
202.16751	1.4
203.07008	21.3
203.08867	1.7
203.17923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0861
Annotation	Quinoline-2-methanol acetate
Peak:m/z	Relative Intensity
55.05498	0.3
61.39638	0.2
63.24061	0.2
67.05486	0.4
69.03387	0.2
69.07045	0.6
70.06571	0.2
72.04504	1.9
74.31068	0.2
79.05461	0.2
81.03372	0.3
81.07050	1.0
84.08139	0.2
91.05456	0.8
93.07031	0.6
95.08601	0.9
105.07005	1.5
106.07333	0.2
107.08572	0.8
109.10143	0.6
115.05431	1.0
116.06252	0.2
117.06985	0.4
118.07278	0.2
119.08562	1.2
121.10101	0.4
128.06212	0.6
128.30496	0.2
128.74161	0.2
129.06982	3.0
131.08548	1.2
133.10117	0.8
141.06987	0.4
142.06494	9.0
143.04910	0.2
145.06441	0.2
145.10147	1.1
146.05962	1.5
146.10443	0.4
147.11633	1.2
148.96838	0.2
155.05956	0.2
155.07286	0.2
156.08060	54.2
157.06448	1.4
157.08406	1.1
159.11688	0.7
160.07544	8.2
160.11981	0.6
161.13266	0.5
173.13239	0.3
174.09100	0.4
178.98062	0.2
184.07550	100.0
184.16940	0.5
185.06169	0.3
185.07860	2.7
201.16351	0.7
201.20401	0.8
202.08600	29.5
202.16656	0.8
202.18228	0.3
203.07045	0.5
203.08907	0.7
203.10551	0.2
203.17920	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05498	0.4
56.30874	0.3
57.07065	2.1
58.74575	0.3
67.05487	0.8
69.07059	0.5
70.06596	0.4
72.04506	0.9
72.08150	0.5
79.05453	0.5
80.00743	0.3
81.07029	0.9
86.06050	0.9
86.09692	100.0
87.04453	0.5
87.10030	0.9
91.05469	0.9
93.07028	0.5
94.07332	0.4
95.08585	1.3
96.08932	0.3
105.07008	1.4
106.07361	0.4
107.08582	0.4
109.10130	1.0
115.05459	0.4
116.10717	0.9
117.06912	0.3
119.08554	1.5
120.08885	0.6
121.10107	0.5
128.10698	44.8
129.06972	1.6
129.11044	0.7
131.08528	1.1
132.08884	0.7
133.10091	1.0
134.10449	0.6
141.06996	0.3
142.12251	0.3
144.08913	0.4
145.10059	0.9
146.10431	0.9
147.11658	1.3
156.08075	1.0
157.06467	1.1
157.10091	0.3
159.11388	0.5
160.12080	0.8
160.13300	12.5
161.13293	0.5
168.38519	0.3
170.11740	33.3
171.12067	0.6
172.08649	0.4
174.13542	1.7
184.07587	1.5
187.10666	0.6
191.22249	0.3
202.08524	1.6
202.13000	1.0
202.14600	0.6
202.16606	1.8
202.21661	2.1
203.06967	0.6
203.14348	0.3
203.17937	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70908	0.4
56.96578	0.6
58.99865	1.0
69.46317	1.7
69.46678	0.9
77.00889	1.0
82.01435	29.6
92.32211	0.4
98.97579	0.7
100.02469	100.0
101.00862	3.4
101.02548	2.5
102.00930	0.8
116.98592	1.0
118.03503	44.5
119.01906	16.7
119.03613	1.1
120.01976	2.5
121.01659	1.6
123.04044	1.0
132.16428	0.5
137.02950	4.8
138.03038	1.0
138.95476	1.1
139.02666	0.6
141.22574	0.5
142.03471	2.4
143.01898	1.0
143.03564	0.9
144.03214	0.7
156.96455	1.3
160.04533	0.7
161.02937	4.2
161.04460	1.0
161.97046	0.7
162.04295	0.7
165.43332	0.4
174.97462	0.6
175.04575	0.4
179.00673	2.1
179.03979	1.9
179.98079	28.5
180.04152	1.0
180.98169	0.7
184.70912	0.5
191.49364	0.6
197.99142	67.9
198.99295	1.6
199.99962	1.1
200.49896	1.5
200.99857	0.5
202.99783	0.9
211.60793	0.5
221.01866	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	203.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62755	5.0
69.63124	3.3
70.06573	5.3
85.49111	1.5
89.41405	1.6
98.23428	1.6
101.00867	6.3
111.04649	1.5
116.07059	3.4
119.01890	8.6
143.01874	6.0
158.12898	1.7
161.02919	11.8
203.05234	100.0
203.14951	2.7
204.05560	1.7
218.34531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0702
Annotation	Eutypine
Peak:m/z	Relative Intensity
55.01868	100.0
56.02204	0.8
57.03431	0.6
65.03948	0.5
68.99792	0.4
70.68748	0.4
70.99165	0.4
77.03896	0.5
79.05488	1.5
81.03411	2.1
91.05472	10.5
93.07034	0.5
95.04942	0.9
103.05460	11.3
105.03384	0.8
105.07016	6.9
107.04936	4.5
107.08572	0.5
115.05437	4.2
116.06214	1.3
117.07027	2.0
119.04936	3.0
119.08549	3.0
121.02841	3.2
121.06488	0.5
128.06209	9.6
129.06996	24.0
131.04915	6.0
131.08553	4.6
132.05666	1.3
133.02834	3.1
133.06479	24.4
139.02962	0.4
141.06982	1.4
143.04877	1.0
144.05673	1.2
145.06508	4.0
147.04391	12.2
147.08028	13.7
148.04755	0.5
149.02318	0.9
155.06056	2.5
157.06476	43.8
158.06870	1.2
159.08014	1.2
160.05208	2.0
161.05972	13.1
175.07526	48.2
176.07828	0.7
185.05954	5.9
189.34575	0.4
203.07010	21.8
204.07315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0703
Annotation	Eutypine
Peak:m/z	Relative Intensity
50.22272	0.8
55.01871	39.9
60.00801	0.8
69.03405	1.5
69.48917	3.7
70.06561	1.1
75.04436	0.9
79.05484	5.5
81.03407	1.6
83.01328	1.6
85.70131	0.9
91.05477	50.8
92.06248	2.6
95.04956	1.0
97.02891	11.6
98.23396	1.2
99.14285	0.9
103.05450	3.2
105.03391	0.9
105.06998	6.0
107.04939	11.7
112.11206	1.2
115.05452	13.9
116.06215	3.4
117.07016	7.6
119.04906	2.7
119.08577	19.9
120.05721	13.0
120.96502	1.1
121.06510	16.1
128.06209	32.8
129.06996	100.0
131.04895	3.8
131.08553	28.8
132.05711	3.0
132.08847	1.9
133.02844	1.3
133.06471	7.3
133.21500	0.9
139.05283	1.2
141.06999	12.6
143.04939	1.3
144.05669	2.3
145.06485	6.3
147.08040	45.7
148.08382	1.5
155.06035	5.5
157.06480	78.2
158.07295	5.4
159.07971	2.3
161.05995	7.4
175.07535	40.8
185.05977	42.7
203.05444	1.2
203.07008	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
55.01866	64.9
55.05498	1.3
55.94505	1.0
57.03418	1.4
60.49194	1.0
62.94399	0.9
65.03915	1.6
67.05503	6.7
68.99770	2.8
69.03423	1.9
69.40221	5.1
73.34390	0.9
79.05492	11.3
81.03383	3.7
81.07059	4.9
83.04973	2.2
91.05470	50.4
93.03397	1.4
93.07039	2.4
95.04926	2.0
97.66722	0.9
103.05464	8.3
105.03376	3.4
105.07015	14.3
107.04940	6.9
107.08585	16.3
109.02847	3.9
109.10136	1.4
111.04442	6.8
115.05441	8.8
116.06242	9.1
117.07001	5.7
119.04927	3.4
119.08585	13.2
121.02845	2.4
121.06498	3.2
121.10074	2.4
125.09629	2.6
127.05502	1.2
128.06201	35.9
129.06992	96.6
130.07306	2.0
131.04936	6.6
131.08548	29.2
132.05693	2.4
133.02832	16.3
133.06474	21.2
134.37154	1.2
135.08025	2.3
141.06985	5.2
143.04913	2.1
144.05688	4.1
145.06505	6.1
147.04454	6.2
147.08022	32.4
149.02341	1.7
149.05956	3.3
153.09119	8.2
155.06036	6.8
157.06473	100.0
158.07048	3.3
159.08060	15.8
160.05228	1.6
161.05975	13.6
171.10138	3.0
174.06769	4.1
175.07536	50.1
185.05962	26.1
203.06993	44.3
211.74068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0702
Annotation	Eutypine
Peak:m/z	Relative Intensity
53.31974	0.6
55.01868	23.7
61.26786	0.6
65.03922	0.6
68.20972	0.6
68.99775	5.6
69.03442	1.0
73.78736	0.8
79.05483	2.6
80.97614	0.7
81.03410	1.0
86.33753	0.7
91.05470	33.1
92.06268	1.4
93.86214	0.7
95.04965	1.2
97.02875	2.2
98.23460	1.2
103.05444	3.6
105.03387	4.1
105.04526	0.8
105.07030	5.6
107.04942	5.0
110.08038	0.7
115.05447	9.7
116.06219	4.2
117.06976	5.5
119.04939	4.3
119.08570	6.5
120.05714	10.9
121.02841	2.2
121.06506	4.0
127.05301	0.7
128.06207	24.2
129.06989	100.0
130.07312	1.4
131.04919	5.3
131.08553	33.6
132.05713	1.3
132.08879	0.7
133.02844	14.9
133.06477	11.6
141.06976	7.1
141.84979	0.6
143.04900	2.1
144.05670	1.8
145.06482	3.6
147.04385	2.3
147.08029	18.4
154.10692	0.6
155.06017	4.9
157.06470	84.2
158.07027	2.4
159.08020	1.4
161.05959	11.0
161.07166	1.1
175.07524	24.0
185.05956	22.3
186.06236	1.0
203.07005	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0814
Annotation	IPA imine
Peak:m/z	Relative Intensity
55.01757	2.6
55.02057	0.9
56.96453	1.9
56.96763	0.8
57.03333	0.8
57.03586	0.4
59.04908	0.8
59.78410	0.3
69.03351	0.4
69.68288	0.7
69.68638	0.6
70.06480	1.4
72.08044	0.8
79.05410	0.7
81.03341	0.4
81.34852	0.3
82.01369	0.4
82.99747	0.8
83.01247	0.7
84.08044	0.9
85.02817	0.6
86.09690	3.7
88.08685	0.5
91.05463	6.9
92.06167	1.4
94.19453	0.4
95.04895	0.4
97.02793	0.6
98.97490	1.3
99.04379	0.5
100.02449	1.8
101.00864	8.2
102.09096	0.5
102.96824	0.4
103.00551	1.2
103.05389	0.6
104.90742	0.3
105.00270	0.5
105.06998	2.0
107.04863	1.4
112.11155	1.5
115.03885	0.5
115.05409	2.7
116.06241	0.8
116.06979	0.6
116.98545	1.1
117.06985	3.0
118.03463	0.9
119.01904	27.1
119.04890	2.3
119.08582	1.7
120.01953	1.3
120.05717	8.4
121.00811	0.4
121.01643	7.0
121.51054	0.3
128.06206	3.8
129.06989	10.8
129.13841	1.0
130.06508	62.1
131.01848	1.9
131.04877	0.7
131.06021	1.4
131.06844	0.9
131.08514	2.4
132.05653	0.7
133.06483	2.4
134.99608	0.9
137.02946	4.9
138.03062	0.6
139.02649	2.4
140.04947	0.8
141.06996	1.5
143.01880	10.5
143.03593	0.5
143.04906	1.2
144.05713	1.6
145.03534	0.5
145.06468	1.1
147.04454	0.7
147.08026	4.7
149.05995	0.4
155.05995	0.6
156.06818	0.8
157.06477	7.9
157.07588	100.0
158.06885	0.7
158.07953	2.0
158.12947	0.4
159.04446	0.4
159.08020	0.5
159.09186	0.5
160.02913	0.6
160.05186	0.4
161.02937	38.2
161.05844	2.9
162.03169	1.6
173.03062	1.0
174.98639	0.6
175.07516	3.8
179.04025	2.0
184.04607	0.8
185.05971	2.5
185.07286	4.6
191.04034	0.5
203.08372	52.3
203.15164	1.0
204.08652	0.8
204.13667	0.4
221.07132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03931	1.4
55.05507	12.1
57.07064	1.8
61.16761	1.2
64.82304	0.9
67.05495	14.5
69.03407	1.3
69.07063	15.4
71.42477	1.0
79.05489	7.1
81.07050	23.6
83.08598	4.5
91.05465	18.3
93.07029	14.0
95.04960	1.1
95.08595	45.8
97.10158	2.9
105.04479	1.2
105.07017	54.5
107.08578	23.2
109.09417	2.2
109.10137	30.4
117.06971	2.5
119.08562	48.1
119.60682	1.0
120.96442	2.2
121.10133	15.7
123.11704	5.7
123.63255	1.0
129.06984	2.8
131.08542	6.0
133.06517	1.1
133.10107	66.5
135.11664	3.1
143.68758	1.0
145.10107	7.0
147.11662	51.2
157.06490	2.0
159.11711	5.0
160.12462	2.3
161.13235	23.8
173.13246	1.5
174.14082	1.8
175.14825	7.8
179.97763	1.5
188.15616	1.1
203.05273	1.4
203.06912	1.3
203.10544	2.1
203.14461	2.5
203.17928	100.0
204.08215	1.5
204.18343	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05506	8.2
57.07056	3.3
62.06069	1.9
67.05496	17.7
69.07061	12.5
69.98399	3.1
71.08619	1.3
79.05483	8.6
81.07042	36.8
83.08599	5.0
91.04939	1.4
91.05464	15.3
93.07031	15.0
95.04992	1.3
95.08591	63.2
100.02464	1.8
105.07016	50.8
107.07842	1.5
107.08574	30.8
107.78972	0.9
109.06552	1.3
109.10137	43.2
115.05447	1.8
117.06990	2.6
119.08562	42.7
119.09422	2.2
120.96511	2.8
121.10122	16.4
123.11672	8.0
129.06992	1.1
131.08519	3.6
133.10100	37.4
134.10539	1.0
135.11652	5.6
145.10100	3.7
147.11659	52.8
148.12402	1.0
156.96198	1.1
159.11610	2.2
160.12430	2.6
161.13225	19.0
175.07581	2.3
175.14812	11.7
179.97926	1.6
185.20889	2.1
203.06927	3.1
203.17920	100.0
203.21941	20.5
204.18288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05506	12.3
57.07058	2.7
58.69437	1.4
65.03915	1.3
66.93871	1.6
67.05157	2.4
67.05494	32.7
69.07055	22.7
69.53747	6.5
79.05466	9.6
81.07047	42.7
83.08594	6.6
84.67018	1.3
90.43798	1.5
91.05463	21.2
93.07023	21.7
95.08591	62.9
105.07011	58.4
106.07339	1.6
107.04913	1.9
107.08571	27.9
109.10139	71.8
111.83602	1.3
115.05452	5.3
117.06991	2.9
118.03432	1.4
119.08561	55.0
119.09419	2.9
120.96474	5.2
121.10130	18.8
123.11715	7.5
128.06180	4.2
129.06981	4.6
131.08528	5.5
132.05629	1.5
133.10103	40.8
135.11694	7.1
143.08504	2.3
145.10069	7.8
147.04393	4.6
147.08000	2.8
147.11662	70.7
156.96284	1.6
157.06485	2.4
157.10118	2.3
159.11671	4.0
160.05142	4.3
160.12398	2.2
161.05927	3.3
161.09616	1.8
161.13243	21.0
175.03851	2.3
175.07503	8.0
175.11243	1.7
175.14786	6.8
179.97818	1.8
185.13153	2.0
188.04753	2.4
203.03363	3.4
203.06898	14.4
203.10614	4.9
203.14250	5.3
203.17923	100.0
204.18272	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	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.23165	1.0
53.64200	1.1
55.01862	1.7
55.05505	9.4
57.07055	2.1
57.18845	1.0
61.73851	1.0
65.03912	1.8
67.05161	2.1
67.05497	32.8
69.06707	1.4
69.07056	20.7
69.25514	6.3
70.06573	1.7
79.05489	11.7
81.07047	48.6
83.08608	6.8
84.04514	1.1
91.05474	17.3
93.07033	20.1
95.04964	1.7
95.08593	70.1
100.02483	1.2
103.05420	1.1
103.48626	1.1
105.07014	63.1
107.08575	30.7
109.10141	65.3
117.06979	4.4
119.08562	55.1
120.96484	4.3
121.10136	20.4
123.11693	8.9
128.06184	2.9
129.06958	5.1
131.08585	5.7
133.10114	37.9
134.10446	1.3
135.11658	5.0
143.08498	2.1
145.10077	9.2
147.11664	83.3
157.06422	5.5
157.10136	1.9
159.11671	4.5
160.12428	3.2
161.05936	1.6
161.09595	1.9
161.13239	22.3
174.14072	1.5
175.07538	2.1
175.14809	9.4
178.33878	1.4
179.97859	3.4
185.13272	3.5
203.06987	4.1
203.10612	3.7
203.14319	8.3
203.17917	100.0
204.10313	1.2
204.18205	1.9
213.75349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.74370	0.9
55.05505	13.0
57.07056	3.6
66.79133	0.9
67.05158	1.5
67.05499	28.3
69.06702	2.0
69.07056	23.1
69.33343	2.9
69.33732	1.5
77.73921	0.9
79.05480	11.5
81.07046	51.2
83.08598	6.0
90.72119	1.0
91.05468	18.6
93.07034	18.3
95.04957	1.1
95.08592	65.1
97.10133	2.3
103.05423	1.3
105.07014	61.3
107.08582	30.4
109.10143	58.3
112.11263	1.0
115.05422	1.7
117.06995	3.0
119.08562	60.9
120.96485	1.1
121.10119	22.6
123.11684	8.6
128.06198	1.8
129.06975	4.1
131.08543	5.9
133.06415	1.3
133.10110	44.5
135.11696	6.3
143.08536	1.9
145.10100	9.9
146.10902	1.3
147.11664	72.8
148.12035	2.3
156.96335	1.3
157.06425	2.7
157.10107	2.0
159.11703	4.9
160.05040	1.2
160.12428	3.3
161.09525	1.7
161.13246	21.9
162.13597	1.2
173.13261	1.2
174.14012	1.1
175.07503	2.9
175.14784	6.5
185.13295	1.8
203.06807	5.6
203.10692	3.3
203.14214	5.6
203.17926	100.0
204.10304	1.1
204.18282	2.3
221.94025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03933	1.8
53.68251	1.1
55.01861	1.2
55.05513	9.9
57.07057	3.3
61.33974	1.0
65.03941	1.1
67.05496	29.3
69.07060	20.0
69.32191	4.8
79.05479	8.6
81.07047	47.5
81.36839	1.2
83.08611	5.2
87.92040	1.1
91.05467	15.4
93.07027	18.8
95.05000	1.2
95.08595	72.5
96.08907	1.4
97.10149	2.4
103.05396	1.4
103.43727	0.9
105.07018	63.7
106.07349	1.7
106.26640	1.1
107.08583	31.7
109.06487	1.2
109.10143	67.8
110.10476	1.0
115.05425	4.3
117.07020	4.4
119.08563	53.8
120.96575	2.2
121.10119	19.5
123.11697	10.7
126.05505	1.3
128.06197	1.6
129.07021	2.4
131.08537	4.9
132.05719	1.8
133.10112	41.2
135.11661	7.9
135.98868	1.3
145.10112	7.0
147.08051	2.2
147.11668	71.5
157.06407	3.0
159.11676	2.9
160.05167	3.1
160.12451	3.4
161.09587	1.3
161.13246	24.8
175.07536	4.7
175.14796	9.7
179.97850	1.5
188.04628	1.7
203.06749	5.0
203.17931	100.0
204.18269	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	205.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98824	1.4
53.03924	3.1
55.01861	6.5
55.05489	4.4
56.96547	2.2
57.03411	3.0
57.07071	12.6
63.51898	1.4
65.03929	8.6
67.05494	7.5
68.49217	1.5
68.99782	14.6
69.03413	8.3
69.07072	1.6
71.46552	1.4
79.05473	6.3
81.03384	3.1
81.07029	5.9
83.04958	6.0
85.02863	3.4
89.03909	3.3
91.05461	28.3
93.03378	3.1
93.07024	4.3
95.04948	14.0
97.02901	2.0
102.53448	1.3
103.05458	9.1
103.57301	1.4
105.03351	1.8
105.07045	12.2
107.04935	11.8
107.08570	4.8
108.01528	1.5
109.06517	2.4
109.10143	2.1
111.04427	3.9
115.05434	13.1
116.06219	5.6
117.03366	1.6
117.07018	10.5
118.06538	1.9
119.08564	2.0
119.97882	1.5
120.08057	2.2
121.02845	15.9
121.03929	4.3
121.06511	12.3
121.10136	3.3
123.04421	19.8
123.11755	1.6
128.06174	3.3
129.06999	10.7
131.04900	16.1
131.08548	20.2
132.08051	1.7
133.06482	4.9
135.04424	10.4
135.08025	6.5
137.02306	1.9
137.05946	5.7
139.03896	3.2
141.06979	12.2
144.05673	9.5
145.02832	3.7
145.06493	11.3
145.10101	3.0
146.05971	9.7
146.07086	2.5
147.04391	13.8
147.08067	2.9
148.05067	2.5
149.02321	100.0
149.06029	7.6
149.09587	6.1
151.03885	2.3
157.06435	2.0
159.04358	6.9
159.08051	18.9
159.11627	4.5
160.05151	4.6
161.05927	12.7
161.09520	1.6
162.03125	2.8
162.06746	2.7
163.03888	22.0
163.07559	3.8
163.11247	1.4
163.96780	1.6
167.03381	1.6
169.06470	2.4
173.05940	3.9
174.06714	7.8
175.07507	5.3
177.05414	4.8
177.09064	20.6
177.10526	1.8
178.04979	1.7
181.97885	1.6
187.03822	4.2
187.07469	15.2
188.07016	3.6
190.06155	1.7
197.01247	2.2
205.04799	53.1
205.08546	42.4
205.12175	2.9
205.15840	1.7
206.08167	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0493
Annotation	Paniculal
Peak:m/z	Relative Intensity
51.02370	0.8
51.21503	0.3
53.03939	0.9
55.01861	0.9
65.03928	1.0
67.01850	1.7
68.99777	1.8
69.03407	1.0
72.03018	0.3
77.03925	1.2
78.04694	3.6
79.01835	0.5
79.05482	0.7
83.01340	4.6
89.03918	0.4
91.05471	12.2
93.07036	5.2
95.04955	4.0
101.87875	0.3
103.05450	4.2
105.03395	0.6
105.04496	1.5
105.07009	1.3
106.04155	9.1
107.04953	0.7
108.02081	1.2
109.06512	1.1
115.05397	0.5
117.06960	0.4
119.04922	2.4
121.02852	1.4
121.06496	23.4
131.04906	6.0
133.06532	0.5
134.03619	19.0
145.06447	0.7
147.04366	2.6
149.02351	2.5
149.05971	9.2
161.02325	0.8
161.05949	0.4
162.03102	76.2
163.03482	1.2
177.05441	7.2
184.94225	0.4
190.02589	58.2
191.02965	1.6
200.40289	0.4
205.04942	100.0
206.05270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08266	0.3
51.02373	0.4
52.03162	0.4
53.03932	0.5
54.26224	0.3
55.01856	0.9
65.03931	1.5
67.01856	1.1
68.67764	0.3
68.99780	1.7
69.03410	1.4
70.15353	0.7
77.03909	1.7
78.04688	3.0
79.05453	0.9
81.03415	0.5
81.07031	0.3
83.01329	4.6
89.03903	0.4
91.05466	12.2
93.03391	0.4
93.07027	5.5
95.04959	4.2
103.05460	4.2
105.03383	0.5
105.04501	1.4
105.06981	1.5
106.04157	8.1
107.04914	0.5
108.02094	1.3
109.06492	1.0
111.04407	0.4
119.04919	2.2
121.02838	1.4
121.06486	26.2
122.06800	0.8
124.61446	0.3
131.04900	7.3
131.05881	0.5
133.02835	0.4
133.06476	1.0
134.03609	18.4
135.04196	0.3
147.04384	2.4
148.05174	0.5
149.02310	2.8
149.05959	10.2
159.04373	0.5
161.02357	0.6
161.11018	0.3
162.03093	77.3
163.03476	1.3
165.05441	0.4
177.03920	0.6
177.05434	7.9
190.02577	65.1
191.02931	1.4
205.04929	100.0
206.05261	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	205.0492
Annotation	Paniculal
Peak:m/z	Relative Intensity
51.97738	0.5
52.08386	0.5
55.01860	1.0
58.33730	0.4
65.03934	1.1
67.01840	0.7
68.99773	1.6
69.03407	1.1
69.71920	1.8
69.72282	0.8
77.03917	1.9
78.04702	3.3
79.05473	1.1
83.01332	5.0
91.04937	0.8
91.05470	11.0
93.07033	5.6
95.04942	3.9
103.05441	3.5
104.82048	0.5
105.03345	0.7
105.04483	0.9
105.07007	0.6
106.04160	9.5
107.04931	0.8
108.02121	1.2
109.06499	0.8
116.37035	0.6
117.37204	0.5
119.04908	3.0
121.02888	1.0
121.06489	27.0
131.04904	5.5
133.06485	0.5
134.03612	18.0
136.76657	0.5
147.04359	3.1
149.02303	1.5
149.05971	10.1
161.02362	0.8
162.03099	80.0
163.03529	1.2
177.05434	7.2
190.02586	59.6
191.02887	0.7
205.04936	100.0
206.05301	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	205.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
53.03924	0.7
65.03910	1.0
67.01846	1.0
68.99786	1.8
69.03419	1.0
77.03910	1.3
78.04694	2.8
79.05476	1.0
83.00866	0.5
83.01324	4.2
91.04934	0.7
91.05465	10.5
93.07033	5.8
95.04958	4.2
103.05453	3.9
105.03377	0.7
105.04459	1.7
105.07007	1.4
106.04158	8.4
107.04926	0.7
108.02094	0.9
109.06503	1.1
113.76958	0.3
117.03356	0.4
119.04932	2.2
121.02841	1.5
121.06490	22.5
131.04900	5.5
133.06488	0.6
134.03613	15.8
147.04384	2.4
149.02289	1.9
149.05960	8.7
159.04390	0.4
161.02332	0.7
162.03094	71.9
163.03453	1.3
164.17053	0.4
167.35391	0.4
169.57312	0.3
177.05441	7.4
190.02576	61.7
191.02905	1.3
199.67252	0.3
205.04930	100.0
206.05276	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	205.0491
Annotation	Paniculal
Peak:m/z	Relative Intensity
51.02368	0.5
52.05724	0.2
53.03934	0.3
55.01855	0.8
56.95222	0.3
60.14256	0.2
65.03931	1.0
67.01857	1.1
68.99773	1.8
69.03418	0.9
69.77248	0.9
70.85611	0.2
76.64586	0.3
77.03919	1.6
78.04689	3.1
79.01842	0.6
79.05489	1.4
83.01327	4.6
89.03901	0.7
90.91840	0.3
91.05466	11.7
93.07033	5.6
94.07324	0.3
95.04956	3.8
96.05274	0.3
103.05452	4.0
103.06088	0.4
105.03365	0.6
105.04498	1.3
105.07003	0.9
106.04160	8.6
107.04939	0.6
108.02087	1.0
109.06488	1.0
111.70693	0.2
115.05428	0.3
118.04144	0.3
119.04917	2.0
121.02845	1.4
121.06487	24.5
122.06793	0.4
131.04913	6.1
133.02805	0.4
133.06438	0.5
134.03613	17.9
135.04092	0.3
143.88512	0.3
147.04370	2.7
147.74193	0.3
149.02304	2.5
149.05954	9.7
150.06320	0.3
159.04372	0.3
159.05528	0.3
161.02295	0.7
162.03093	73.3
163.03461	1.6
172.20682	0.3
175.03879	0.3
177.05435	7.9
190.02577	59.1
191.02919	1.5
205.04927	100.0
206.05304	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	205.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01854	0.8
65.03928	1.7
65.86330	0.4
66.39600	0.5
67.01823	0.9
68.58993	0.4
68.99781	1.6
69.03403	1.2
69.69971	0.7
69.70371	0.9
77.03925	1.3
78.04680	2.7
78.42525	0.5
79.01815	0.5
79.05471	1.1
80.90453	0.5
81.03358	0.4
83.01321	4.9
89.03917	0.8
91.05464	11.9
93.03380	0.6
93.07029	5.1
95.04947	4.3
97.67464	0.5
98.23492	0.5
103.05448	3.9
105.03402	0.6
105.04506	1.8
105.07004	0.9
106.04166	7.3
107.04882	0.6
108.02077	1.2
109.06509	0.6
119.04909	3.1
121.02852	1.8
121.06487	23.3
122.06762	0.5
127.60590	0.5
131.04893	6.6
133.06483	0.6
134.03615	15.3
135.04449	0.5
143.84074	0.5
147.04408	2.3
149.02319	6.3
149.05954	8.7
150.06371	0.6
161.02422	0.8
162.03093	70.7
163.03482	1.1
177.05431	9.1
181.03616	0.5
190.02576	58.3
191.02940	1.2
205.04930	100.0
206.05327	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	205.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03941	0.7
55.01862	1.4
55.08347	0.4
57.07069	0.8
65.03919	1.2
67.01849	1.3
68.99776	2.1
69.03414	1.2
70.55308	0.8
71.67843	0.4
72.38694	0.5
77.03934	1.6
78.04697	3.1
79.01822	0.7
79.05484	1.1
83.01323	5.1
87.56447	0.5
91.05466	12.4
93.07028	5.2
95.04944	4.1
103.05453	3.8
105.03394	0.6
105.04475	1.7
105.06999	1.0
106.04159	9.0
108.02077	1.1
109.06502	1.0
119.04922	3.2
121.02847	1.7
121.06493	26.2
122.06813	0.6
125.54081	0.5
131.04924	7.3
133.06444	0.6
134.03616	18.5
147.04375	2.7
149.02316	5.6
149.05949	10.3
159.04390	0.6
161.02324	1.1
162.03101	73.7
163.03464	1.5
163.37006	0.4
177.05461	8.1
185.35553	0.5
190.02582	63.8
191.02914	1.1
205.04935	100.0
206.05321	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	205.0493
Annotation	Paniculal
Peak:m/z	Relative Intensity
50.01584	0.2
51.02373	0.4
52.03159	0.2
53.03933	0.6
53.82597	0.2
55.01861	1.0
56.96550	0.5
57.05202	0.2
57.07057	0.4
60.44569	0.2
63.02375	0.3
65.03924	1.6
67.01862	1.0
68.99791	2.1
69.03418	0.9
69.58855	0.8
77.03906	1.2
78.04709	3.0
79.01840	0.6
79.05472	1.1
81.03413	0.4
81.07053	0.3
83.01338	4.6
89.03923	0.4
91.05474	11.5
93.03397	0.3
93.07041	5.1
94.07352	0.2
95.04956	4.6
99.02919	0.2
101.80701	0.3
103.05470	3.8
105.03351	0.6
105.04497	1.6
105.07005	1.2
106.04166	8.7
107.04931	0.7
108.02097	1.1
109.06480	0.8
119.04932	2.6
120.95728	0.2
121.02840	2.0
121.06495	25.5
122.06809	0.3
131.04921	6.1
133.06488	0.4
134.03622	19.2
135.04413	0.3
147.04398	2.3
148.05070	0.2
149.02324	7.0
149.05965	9.1
151.03879	0.3
159.04387	0.4
161.02341	0.8
162.03104	75.0
163.03496	2.1
165.05469	0.3
177.05460	8.0
190.02589	59.7
191.02959	1.4
205.04941	100.0
206.05293	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	205.0492
Annotation	Paniculal
Peak:m/z	Relative Intensity
53.03938	0.5
55.01860	1.0
56.79461	0.4
56.96567	0.5
57.07066	1.4
59.33800	0.5
65.03944	2.1
67.01853	1.1
68.03912	0.5
68.99780	2.0
69.03415	1.1
69.12909	0.4
69.85888	1.1
70.81684	0.4
77.03910	0.9
78.04703	3.7
79.01823	0.5
79.05486	1.7
83.01334	4.7
89.03930	0.6
91.05470	11.6
93.07035	4.7
95.04952	3.5
98.22702	0.6
98.54768	0.4
103.05456	4.4
105.03352	0.7
105.04505	1.5
105.07031	1.1
106.04159	7.9
106.24664	0.5
107.04929	0.7
108.02083	0.9
109.06529	1.1
119.04955	2.5
121.02853	1.9
121.06489	24.4
121.56879	0.4
122.06768	0.4
129.44237	0.4
131.04912	6.7
133.06448	0.7
134.03610	16.9
145.06508	0.6
147.04420	2.5
149.02325	9.5
149.03410	0.8
149.05960	9.2
159.04369	0.6
161.02266	0.6
162.03098	74.0
163.03473	1.3
177.05446	7.2
190.02583	59.4
191.02957	1.2
205.04930	100.0
206.05260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01615	0.4
51.02371	0.3
52.12379	0.4
53.03946	0.6
55.01859	1.3
57.07065	0.6
58.74923	0.3
61.40577	0.4
65.03932	1.5
65.63624	0.3
67.01852	1.0
68.99784	1.8
69.03420	1.3
73.13759	0.3
76.65164	0.4
77.03923	1.3
78.04695	3.1
79.05476	1.2
81.03407	0.5
81.07098	0.4
83.01330	4.6
91.05468	10.7
93.07027	5.2
95.04967	4.5
96.26817	0.3
103.05441	3.5
105.03379	1.0
105.04500	1.7
105.07012	1.1
106.03506	0.6
106.04172	7.2
107.04970	0.8
108.02087	1.1
109.06493	1.1
119.04916	3.0
121.02892	1.6
121.06488	23.4
124.44590	0.4
131.04915	6.8
133.06483	0.6
134.03618	16.1
143.14342	0.3
147.04391	2.8
149.02327	5.9
149.04831	0.7
149.05965	9.8
159.04388	0.7
161.02386	0.7
162.03099	69.9
163.03493	1.1
165.05595	0.5
177.05447	8.1
190.02583	62.1
191.02924	1.3
205.04933	100.0
206.05325	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0495
Annotation	Paniculal
Peak:m/z	Relative Intensity
51.02382	0.5
53.03926	1.0
55.01860	0.7
59.17776	0.5
61.21440	0.5
65.03917	1.0
67.01855	0.7
68.99776	1.8
69.03410	1.4
70.24905	1.1
70.25246	0.6
77.03921	1.7
77.52506	0.4
78.04692	2.4
79.01820	0.6
79.05476	0.9
83.01324	4.9
91.05479	10.8
93.07039	4.5
95.04945	3.5
103.05457	3.2
105.04513	1.3
105.07033	1.1
105.62318	0.5
106.03517	0.6
106.04173	8.1
108.02111	1.0
109.06518	0.8
114.93939	0.5
119.04910	2.2
121.02824	1.5
121.06503	23.5
122.06792	0.6
131.04944	6.3
133.06444	0.6
134.03629	15.4
147.04379	2.3
149.02318	1.2
149.05977	9.8
159.04318	0.6
161.02316	0.8
161.06088	0.6
162.03108	72.2
163.03522	1.7
164.36626	0.4
166.69237	0.5
175.77692	0.4
177.05455	7.9
190.02597	63.2
191.02939	2.1
205.04953	100.0
206.05286	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	205.0495
Annotation	Paniculal
Peak:m/z	Relative Intensity
53.03936	0.9
55.01856	0.7
57.07066	0.6
63.19215	0.3
65.03922	2.0
67.01862	1.7
68.99783	2.2
69.03407	1.1
69.60934	0.7
69.61316	0.9
77.03918	1.3
78.04691	3.3
79.01861	0.4
79.05482	1.2
81.03393	0.5
81.07034	0.3
82.19772	0.3
83.01341	5.6
88.92933	0.3
89.03899	0.5
91.05470	12.6
93.06446	0.4
93.07033	6.5
95.04973	4.2
103.05454	4.2
105.03392	0.5
105.04520	1.6
105.06982	1.4
106.04166	9.5
107.04958	0.7
107.08649	0.4
108.02097	0.8
109.02863	0.4
109.06487	0.9
115.05435	0.7
117.07005	0.6
119.04939	2.9
121.02880	1.9
121.06493	24.4
122.06871	0.4
131.04906	6.1
133.06438	0.6
134.03621	18.6
135.04303	0.3
145.06493	0.9
145.10130	0.5
147.04390	3.0
149.02351	4.8
149.05966	10.9
150.06276	0.4
152.60471	0.3
159.04395	0.4
161.02333	0.8
161.05943	0.8
162.03102	81.1
163.03479	1.7
165.07425	0.3
172.71106	0.3
173.05916	0.4
175.07489	0.4
177.05438	8.3
190.02588	63.4
191.02919	1.2
205.04941	100.0
206.05305	1.8
218.31735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0493
Annotation	Paniculal
Peak:m/z	Relative Intensity
50.01593	0.2
51.02383	0.5
52.03177	0.3
53.03936	0.6
55.01856	1.3
57.07079	1.0
57.07318	0.2
57.47046	0.2
65.03929	1.8
66.01067	0.3
66.12388	0.2
67.01852	1.4
67.05508	0.5
68.99782	2.4
69.03407	1.4
69.07052	0.3
77.03897	1.1
78.04700	3.0
79.01856	0.6
79.05473	1.8
81.03384	0.4
81.07044	0.3
83.01327	4.8
89.03880	0.4
91.05460	12.8
92.05786	0.3
93.03427	0.5
93.07029	5.1
93.07594	0.3
95.01336	0.2
95.04948	4.7
95.08615	0.3
97.02865	0.2
103.05454	4.3
105.03374	0.8
105.04493	2.2
105.07005	1.5
106.04155	9.1
107.05017	0.9
107.08591	0.3
108.02105	1.0
109.02852	0.3
109.06505	1.4
109.10128	0.3
111.04414	0.4
115.05453	0.6
117.06989	0.9
118.04175	0.2
119.04916	2.4
119.08569	0.2
121.02851	2.6
121.06483	25.5
122.06855	0.5
131.03940	0.4
131.04903	6.8
131.08548	0.4
133.02821	0.5
133.06471	0.7
133.10173	0.2
134.03607	18.2
134.16368	0.2
135.04401	0.3
135.07962	0.2
145.06471	0.8
145.10101	0.7
147.04396	2.7
148.05188	0.3
149.02315	10.4
149.05951	10.1
149.09627	0.2
150.06216	0.2
155.06020	0.3
159.04367	0.8
159.05518	0.3
159.08041	0.2
159.11673	0.5
161.02319	1.0
162.03087	79.8
163.03578	1.6
163.07521	0.7
165.05354	0.2
173.06001	0.6
175.03896	0.3
177.05440	7.8
177.08929	0.3
177.12697	0.3
181.97871	0.3
182.01797	0.2
187.07440	0.3
190.02571	63.2
191.02936	1.5
204.18369	0.3
205.04922	100.0
205.12064	1.2
205.15826	0.5
206.05255	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	205.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03939	0.6
55.01861	1.0
56.96553	0.2
57.07076	0.9
57.59331	0.1
65.03926	1.5
66.83676	0.2
67.01865	1.2
68.99781	2.5
69.03415	1.3
70.51387	0.2
70.51731	0.2
71.06088	0.2
77.03915	1.0
78.04294	0.3
78.04701	3.5
79.01838	0.5
79.05482	1.2
81.03414	0.5
81.07038	0.4
83.01330	4.8
89.03899	0.4
91.05468	12.2
93.03400	0.3
93.07031	5.2
95.01305	0.2
95.04954	4.5
95.08550	0.2
102.04652	0.2
103.05460	4.2
105.03388	0.5
105.04503	1.8
105.07022	1.4
106.04160	8.3
107.04922	0.8
107.08572	0.3
108.02091	1.1
109.02932	0.2
109.06508	1.3
111.04458	0.3
115.05435	0.7
117.03352	0.2
117.07018	0.6
119.04926	2.8
119.08600	0.3
121.02868	2.1
121.06489	24.7
122.06829	0.3
131.04904	6.8
131.08499	0.2
133.02841	0.3
133.06480	0.7
133.17194	0.2
134.03616	17.5
135.04326	0.3
135.08037	0.2
139.03754	0.2
145.02782	0.2
145.06470	0.5
145.10020	0.3
147.04385	2.8
148.05171	0.5
149.01064	0.2
149.02318	7.8
149.05957	9.8
149.13251	0.2
150.02611	0.2
159.04390	0.8
159.05544	0.2
159.11652	0.2
161.02338	0.9
161.05914	0.4
162.03094	78.9
163.03505	1.8
163.96677	0.2
167.03360	0.3
173.05960	0.5
175.03970	0.4
177.05447	8.0
187.11290	0.2
190.02580	61.9
191.02919	1.4
205.04932	100.0
205.15839	0.6
206.05310	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0859
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
50.75675	0.4
51.99256	0.3
55.05502	0.4
56.96580	0.5
57.07064	1.3
65.03930	0.9
67.05493	1.2
69.54652	0.6
69.55004	1.6
71.05405	0.3
81.07051	3.1
83.56427	0.3
91.05473	4.5
93.07017	0.5
98.22576	0.4
102.04662	2.7
103.05462	2.5
104.10588	0.3
105.07037	0.6
107.08601	0.4
115.05445	55.9
116.06292	0.7
117.07008	57.3
118.06555	0.4
118.07333	1.2
121.02861	1.8
121.03976	0.5
121.10156	0.3
123.11697	1.5
127.05393	2.9
129.06064	0.3
129.06999	1.3
130.04138	5.4
131.04910	1.5
131.08548	0.5
132.05684	0.5
143.04929	1.9
144.05685	1.3
145.06470	100.0
146.06894	1.9
147.04378	2.3
148.50459	0.4
149.02327	13.2
155.06023	27.3
156.06442	0.4
159.04396	0.7
159.08009	0.6
159.11594	0.4
160.05174	0.6
161.05957	6.9
163.11157	0.7
171.05469	0.5
172.05165	0.4
173.05963	66.1
174.06326	0.8
175.03886	1.3
175.07532	0.4
177.09061	0.8
187.03876	1.1
187.07530	0.5
188.07005	0.5
190.06233	9.2
205.04906	0.6
205.08575	15.0
205.12239	1.0
205.15863	0.7
206.08896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03939	1.0
55.05502	15.3
56.96561	1.4
57.07057	5.0
63.46836	0.7
65.03938	3.8
67.05495	100.0
69.07057	8.7
71.06104	1.0
79.05480	40.5
81.07044	77.3
82.07378	1.0
83.08613	7.3
91.05447	5.6
93.07033	50.9
95.04941	2.4
95.08589	36.8
97.10171	2.6
105.04549	1.0
105.07010	2.1
107.08578	25.3
109.10141	25.4
119.08543	2.2
121.02856	3.5
121.06472	0.9
121.10128	70.8
122.10480	0.9
123.11690	31.9
131.08525	0.9
135.08047	1.3
135.11673	48.8
137.13243	4.7
147.07999	0.8
148.08755	1.0
149.02322	19.9
149.09550	2.3
149.13245	16.5
160.07599	0.8
161.09549	1.1
163.02736	1.0
163.11159	2.0
163.14807	5.8
177.12573	0.8
187.12027	1.0
205.15860	68.2
205.19475	61.8
206.16275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0446
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
50.80776	0.2
51.43605	0.2
56.96563	1.0
64.44251	0.2
69.03407	0.2
73.56117	0.2
80.94968	0.2
81.03352	0.3
84.08153	0.2
98.97562	0.5
104.04976	0.4
105.03359	0.3
105.07014	0.2
107.08554	0.2
116.98590	0.2
118.04916	0.2
127.77935	0.2
132.04433	23.7
133.04733	0.3
134.06038	0.5
134.99640	0.2
144.08102	0.4
146.05893	0.3
149.02327	0.7
150.02669	1.5
150.05472	0.4
160.03937	0.7
160.99605	0.2
161.07104	0.3
178.04964	100.0
179.05327	2.1
180.05577	0.2
184.39011	0.2
189.10231	1.3
191.14285	0.2
197.01195	0.7
201.00513	0.3
206.04457	50.8
206.15169	0.6
207.04829	1.2
207.11351	0.5
224.02245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.5
56.32934	1.2
57.07058	2.2
59.75831	1.2
65.03931	1.9
67.05492	10.2
67.44325	1.7
69.03420	2.5
69.07056	2.1
70.76136	1.7
71.04966	1.9
79.05479	4.6
81.07042	4.8
83.04939	1.5
85.02890	7.9
85.06535	3.8
91.05471	15.1
93.07054	9.6
93.34206	1.2
95.04948	4.7
95.08589	27.0
97.96094	1.2
103.05435	2.9
104.05740	1.8
105.07024	22.6
107.04915	3.0
107.08574	9.4
109.06497	5.1
109.10136	2.6
111.08063	1.3
117.06997	4.2
118.04140	4.8
119.04926	5.0
119.08559	20.6
120.08102	2.6
121.06506	8.4
121.08376	6.2
121.10130	9.5
123.08051	22.1
123.11671	5.5
128.06242	2.6
129.07001	5.8
130.07814	1.8
131.04910	5.6
131.08565	5.1
133.06509	3.8
133.10117	5.5
135.08081	2.6
135.11700	1.9
137.09589	3.0
141.06984	1.2
143.08554	2.9
145.06511	2.0
145.10106	5.6
146.03673	1.7
146.07240	4.7
146.10828	1.9
147.08011	6.3
147.11679	17.7
148.05153	3.2
149.02222	1.8
149.05934	2.4
149.09595	22.6
151.07582	2.5
151.14769	2.2
156.09296	3.5
159.08015	2.1
161.05960	100.0
161.09607	23.1
161.13194	7.5
162.06306	2.4
163.07451	1.5
163.11176	3.5
165.12715	5.5
168.41821	1.3
171.11665	4.2
174.06708	2.5
174.10391	4.2
175.03859	2.4
189.09067	22.6
189.12711	20.1
190.12134	1.2
207.06267	61.3
207.10255	2.7
207.13777	31.0
226.43092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	ISOEUGENITOL
Peak:m/z	Relative Intensity
55.01860	0.4
55.05488	0.3
63.00596	0.2
65.03922	0.5
67.05477	0.4
68.99776	1.3
69.03404	0.3
69.29630	0.8
77.03921	0.2
79.05484	2.3
80.06220	0.2
81.07047	0.6
83.01317	0.4
91.05471	5.8
93.07040	1.4
94.23518	0.2
95.04964	1.6
95.08575	0.9
102.04609	0.3
103.05463	2.2
105.03420	0.2
105.04499	0.6
105.07011	2.7
107.04929	0.8
107.08559	1.5
108.05745	0.2
109.06523	0.6
115.05452	1.5
117.06990	0.8
118.04152	0.2
119.04927	3.2
119.05924	0.3
119.06056	0.3
119.08542	0.5
120.05702	1.2
121.06512	1.6
123.04414	0.6
123.08038	0.5
131.04918	2.8
133.06483	1.8
133.07408	0.3
133.10139	0.7
135.04465	0.2
135.08028	1.4
136.05157	0.9
141.31332	0.2
146.03595	0.5
147.04399	2.6
147.11662	0.4
148.05170	8.4
149.02318	1.1
149.05901	0.3
149.13281	0.5
151.03882	2.5
151.07503	0.9
161.05946	0.8
161.13197	0.3
163.03922	0.5
163.07544	3.2
164.04678	1.9
165.05391	0.3
174.03021	0.2
175.03876	5.1
177.05460	2.8
179.07019	1.4
189.09041	0.3
189.12732	0.3
189.16356	0.8
192.04152	1.7
207.06496	100.0
207.17374	0.4
208.06837	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	207.1014
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
55.01859	0.6
55.05480	0.7
55.65109	0.2
67.05502	0.5
69.03410	0.4
69.07039	0.5
70.91419	0.2
71.04974	0.6
77.03906	0.3
79.05470	1.6
81.07037	1.2
83.04954	0.5
85.06478	0.2
91.05465	7.6
91.11185	0.2
93.07022	0.9
95.04958	0.8
95.08585	0.9
97.06514	0.2
98.23354	0.2
101.06007	0.3
103.05449	1.4
105.07013	7.7
105.07726	0.5
107.04284	0.3
107.04923	1.8
107.08572	4.4
109.06519	1.3
109.10137	0.7
111.08101	0.3
115.05407	0.5
116.06203	0.8
117.06983	0.7
118.04124	2.4
118.07825	0.3
119.04932	3.6
119.08569	3.8
119.95802	0.2
121.06501	3.6
121.10149	1.5
123.08051	1.9
127.07514	0.4
128.06209	1.7
129.06979	4.3
130.07758	0.9
131.04910	4.7
131.08560	2.6
132.05626	0.8
133.02818	0.4
133.06488	2.2
133.10109	1.6
135.07993	0.3
137.05969	0.4
137.09605	0.7
141.06921	0.3
143.08533	0.6
144.05676	0.7
145.06454	1.4
145.10109	1.3
145.11060	0.2
146.03629	1.8
146.07236	5.1
147.04355	0.4
147.08083	1.4
147.11662	4.7
148.05157	4.5
149.09598	3.2
151.07542	1.2
152.18892	0.3
156.09300	1.1
157.06474	1.6
158.07224	0.5
159.04420	0.3
159.08026	0.9
159.09225	0.3
160.08730	0.6
161.05952	100.0
161.09579	22.6
161.13196	1.1
162.06310	1.8
162.09917	0.3
163.07416	0.4
163.11145	1.0
164.04646	0.4
165.09126	0.3
165.12755	1.7
171.08031	0.5
171.11659	2.3
173.05994	0.2
174.06755	2.5
174.10411	0.3
175.03886	0.2
179.07002	0.4
179.14317	0.5
189.09077	26.4
189.12665	4.4
190.09451	0.6
207.06462	0.7
207.10144	2.4
207.13786	8.0
208.14061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02376	0.3
55.01869	0.6
55.05510	0.7
57.03426	0.2
65.03922	1.0
67.05494	0.8
68.99805	0.3
69.03426	0.5
69.07056	0.6
70.84060	0.2
71.04984	0.4
76.03136	0.3
78.04684	0.2
79.05471	1.6
81.03411	0.7
81.07051	0.8
83.04971	0.3
85.02881	0.6
85.06536	0.7
89.03932	0.5
90.04665	0.3
91.05463	16.2
93.03386	0.2
93.07030	1.3
95.04964	2.2
95.08580	1.1
96.08843	0.2
97.06529	0.8
103.05458	2.6
104.06223	0.2
105.03398	0.6
105.04520	0.4
105.07009	5.6
107.04926	2.0
107.08581	1.4
108.05727	0.5
109.06494	3.1
109.10125	0.6
111.08052	2.0
115.05447	0.8
116.06233	0.9
117.07007	1.5
118.04141	3.6
118.07822	0.3
119.04916	9.8
119.08541	1.8
121.02872	0.3
121.06483	3.6
121.10130	1.0
123.04408	0.9
123.08069	1.2
123.11672	0.4
124.07693	0.2
125.05982	0.3
128.06183	2.5
129.06985	7.4
130.07761	0.6
131.04897	6.3
131.05893	0.4
131.08530	2.0
132.02026	0.4
132.05693	0.8
133.02844	0.9
133.06468	2.1
133.10089	1.8
134.03600	0.3
135.04425	0.5
135.08006	0.5
136.05133	1.7
137.05948	0.8
137.09641	0.5
143.08553	0.5
144.05681	1.1
145.06462	2.3
145.10083	0.3
146.03609	3.2
146.07245	6.1
147.04372	6.1
147.08031	1.4
147.11638	1.8
148.05165	4.9
149.02330	2.9
149.05946	0.9
149.09596	1.3
151.03900	0.5
151.07509	2.4
155.06000	0.6
156.09344	0.5
157.03976	0.2
157.06448	2.2
159.04381	0.5
159.08006	0.7
160.08820	0.4
161.05945	100.0
161.09572	22.3
161.13258	0.6
162.06305	2.2
162.09892	0.6
163.03899	0.7
163.07581	0.5
163.11156	0.5
164.04659	4.4
164.06046	0.2
164.08266	0.2
165.05402	0.5
165.09082	0.6
165.12709	0.7
171.08025	0.5
171.11700	0.6
172.79056	0.2
173.05998	0.3
174.03104	0.9
174.06726	3.2
174.10332	0.4
175.03874	4.4
177.05415	0.3
179.03413	0.5
179.06989	3.6
189.09068	26.6
190.09402	0.5
192.04129	2.1
207.02986	1.2
207.06465	8.8
207.09991	2.5
207.11813	0.3
207.13731	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	207.1015
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
51.26339	1.2
53.03914	1.6
55.01868	9.3
55.05496	5.6
57.07062	1.6
59.00082	1.0
59.04992	3.1
65.03626	1.0
65.03926	5.2
67.05495	8.6
68.99768	3.3
69.03419	7.4
69.07047	4.4
69.62267	4.4
71.04955	1.2
71.52737	1.1
79.05485	13.0
81.07047	9.9
83.01334	1.3
83.04980	2.6
89.03865	2.0
90.04671	1.9
91.05469	63.9
93.07035	12.3
95.04953	9.1
95.08587	8.8
97.02880	1.4
97.06496	1.6
103.05460	8.6
104.06235	2.0
105.03371	3.9
105.04469	1.5
105.07019	39.6
106.61536	1.3
107.04926	11.7
107.08594	7.3
109.06512	6.2
109.10162	3.2
111.08064	2.3
115.05437	9.7
117.06990	5.1
118.04120	4.8
118.07758	1.5
119.04930	44.8
119.08566	22.4
121.06487	21.0
121.10132	5.0
123.04415	8.5
123.07222	1.0
123.08034	7.6
123.11662	2.4
128.06197	22.3
129.03319	1.4
129.06981	3.8
131.04900	17.5
131.08524	9.5
132.02065	2.8
132.05705	7.8
133.06497	10.4
133.10115	22.2
135.04381	2.6
135.08029	5.8
135.11652	2.1
136.05099	1.3
137.05962	28.6
137.09572	3.0
141.06996	2.0
143.08554	21.9
144.05682	1.9
145.06464	10.7
145.10031	2.0
146.03607	2.0
146.07268	13.0
147.04388	50.0
147.08047	8.7
147.11642	6.4
148.05096	5.1
149.02333	5.3
149.05968	20.0
149.09592	14.4
151.07524	2.9
155.05956	1.5
157.03954	2.5
157.06482	2.6
159.04422	1.3
159.08049	4.0
160.03828	2.9
160.05174	60.0
161.05966	48.3
161.09598	41.3
161.13258	4.2
162.06490	1.4
163.03815	1.7
163.07541	3.3
163.11176	1.7
164.04666	3.0
165.05470	1.2
165.09160	1.8
165.12737	4.4
171.07980	6.0
171.11629	1.3
172.08757	2.0
173.05975	3.7
174.06735	49.6
175.03880	32.8
175.07159	1.5
177.09094	8.9
179.07025	4.2
179.08994	1.3
179.14241	2.1
189.09076	100.0
189.12650	6.7
190.09399	2.8
192.04121	14.3
207.06531	20.8
207.08426	1.6
207.10110	17.2
207.13765	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	207.1014
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
53.03915	1.4
55.01865	10.6
55.05505	5.3
57.03410	1.0
57.07068	1.4
59.04995	2.8
65.03939	4.4
67.05494	6.1
68.99785	4.7
69.03407	6.5
69.07079	2.2
69.50427	2.6
71.04974	5.2
75.50716	0.6
77.03934	1.9
79.05480	13.7
81.03416	1.1
81.07043	19.4
81.07489	1.2
83.01295	0.7
83.04981	1.8
83.46782	0.7
85.02892	80.0
85.06551	1.9
87.04445	1.1
89.03912	2.2
91.05464	63.9
92.05797	0.8
93.07027	14.4
95.04946	7.7
95.08595	6.0
97.06527	0.9
103.05467	6.4
104.06259	1.1
105.03378	2.4
105.04502	1.5
105.07012	44.9
107.04942	11.7
107.08570	9.5
109.02898	0.8
109.06491	4.7
109.10134	16.0
111.04430	1.4
111.08087	1.4
115.05424	9.9
116.06240	1.7
117.06998	7.8
118.04144	2.2
118.07730	0.9
119.04922	38.1
119.08557	24.1
121.02844	1.5
121.06487	20.0
121.10121	10.5
123.04409	8.7
123.08049	3.8
123.11687	50.8
124.05217	1.6
124.12023	0.9
125.05965	10.9
127.07523	0.9
128.06197	20.2
129.06982	3.4
130.07813	1.6
131.04904	12.2
131.07060	1.3
131.08540	11.1
132.02055	2.8
132.05701	8.0
133.06471	11.6
133.10104	23.8
135.04413	3.0
135.07980	3.5
136.05157	1.1
137.05957	23.5
137.09544	1.6
141.05464	2.0
141.06955	1.7
143.04913	0.9
143.08540	20.8
145.06468	9.5
145.08556	3.0
145.10138	3.3
146.03583	1.3
146.07242	13.7
147.04382	45.0
147.08025	17.0
147.11658	10.4
148.05199	3.4
149.02328	4.6
149.05960	19.0
149.09586	17.0
151.07481	4.5
152.06247	0.9
155.05995	1.7
156.09300	1.6
157.03926	3.4
157.06483	1.4
159.04369	1.0
159.08015	3.7
160.05173	60.4
161.05960	35.0
161.09590	44.2
161.13217	3.3
162.06630	1.4
162.10023	0.8
163.03886	1.7
163.07544	1.4
163.11183	1.9
164.04651	3.6
165.05470	1.4
165.09071	1.3
165.12737	3.9
169.08643	1.3
171.08006	6.4
171.11684	2.2
172.08784	2.5
173.05962	4.2
174.06731	46.7
174.10223	1.3
175.03879	29.7
177.01729	1.3
177.09077	12.1
179.06985	3.4
179.10545	1.0
189.09070	100.0
189.12640	9.9
190.09404	2.3
192.04121	11.1
192.05736	1.0
207.06485	20.4
207.10130	18.3
207.13759	37.0
208.10344	0.8
208.14082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
55.01857	0.5
55.05495	1.1
57.03429	0.3
57.07063	0.3
59.04996	0.3
65.03907	0.4
67.05498	0.9
69.03410	0.7
69.07056	0.6
69.13895	1.7
71.04980	0.7
77.03905	0.5
79.05476	2.4
80.94975	0.3
81.03416	1.3
81.07034	1.0
83.04972	0.5
85.02883	0.8
91.05464	10.3
93.07031	1.7
95.04946	1.2
95.08582	2.2
97.06501	0.4
102.33071	0.3
103.05449	2.0
104.06230	0.4
105.07013	8.9
106.07344	0.3
107.04945	2.6
107.08597	2.5
109.06509	2.5
109.10152	0.3
111.08048	0.3
115.05411	1.2
116.06229	1.2
117.06995	1.8
118.04163	3.4
118.07854	0.3
119.04930	3.0
119.07741	0.4
119.08565	6.4
121.06483	3.7
121.10141	2.0
123.08059	2.6
123.11674	0.8
125.09615	0.2
128.06200	3.4
129.06985	7.1
130.07704	0.8
131.04907	8.1
131.08545	3.2
132.05672	0.5
133.02832	0.9
133.06470	2.1
133.10098	2.3
134.03583	0.5
135.08000	0.8
135.11681	0.4
137.05956	0.7
137.09584	0.7
143.08566	0.5
144.05699	1.2
145.06468	2.9
145.10089	0.9
146.03595	2.3
146.07246	6.1
146.10976	0.3
147.04378	0.4
147.08037	2.4
147.11668	3.2
148.05164	5.9
149.05994	0.6
149.09598	3.9
151.07524	2.1
155.06013	0.3
156.09331	0.8
157.06468	2.0
158.07249	0.8
159.04391	0.9
159.08051	1.0
160.08791	0.3
161.05952	100.0
161.09584	23.0
161.13205	3.4
162.06285	1.9
162.09938	0.5
163.07504	1.2
163.11145	0.7
165.05432	0.3
165.09076	0.5
165.12709	1.2
171.11662	0.7
174.06711	4.2
175.07443	0.4
175.36891	0.3
177.08961	0.3
179.10680	0.4
179.14281	0.3
189.09079	21.3
189.12679	3.6
190.09474	0.7
207.06487	1.0
207.10152	3.4
207.13756	6.4
207.15208	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	207.1014
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03926	0.6
55.01864	1.0
55.05514	1.9
57.03439	0.7
57.07063	0.9
59.05003	0.6
62.11276	0.4
67.05485	2.5
69.03414	1.4
69.07054	1.2
69.41294	1.2
69.41703	1.0
71.04961	1.0
77.03899	0.5
79.05489	3.4
81.03407	2.3
81.07042	2.5
83.04966	1.2
85.02892	1.0
91.04934	0.8
91.05473	10.7
93.07032	3.1
95.04957	1.9
95.08604	5.2
97.06511	0.6
99.08060	0.4
103.05438	2.2
105.07023	11.2
107.04924	2.8
107.08595	4.3
109.06493	3.6
109.10140	0.7
113.05960	0.4
115.05439	1.1
116.06216	1.6
117.06989	2.3
118.04153	4.2
118.07822	0.5
119.04948	2.7
119.08572	10.3
121.06504	4.6
121.10138	3.6
123.08049	5.6
123.11676	1.3
128.06213	3.5
129.07004	7.3
130.07761	1.1
131.04918	8.2
131.08549	3.6
132.05598	0.4
132.09361	0.5
133.02864	0.4
133.06505	2.7
133.10117	4.4
135.08006	0.9
135.11705	0.5
137.06013	0.9
137.09610	1.3
137.13246	0.7
141.06953	0.5
143.08521	1.0
144.05695	1.1
145.06450	2.4
145.10110	2.8
146.03682	2.1
146.07271	6.0
147.04396	0.6
147.08055	3.8
147.11662	8.1
148.05176	5.3
149.09598	6.5
151.07491	3.0
155.06041	0.8
156.09320	1.1
157.06483	1.7
159.04335	0.8
159.07999	1.1
159.11661	0.7
160.08702	0.5
161.05963	100.0
161.09598	22.6
161.13237	11.6
161.14517	0.8
162.06316	1.7
162.09941	0.8
163.07532	1.3
163.11189	1.3
165.08977	0.8
165.12738	2.9
171.08002	0.6
171.11655	2.1
173.05983	0.5
174.06741	3.8
174.10420	1.0
175.07478	0.4
179.14320	0.6
189.09085	22.9
189.12700	9.9
190.09485	0.5
195.03970	0.5
207.06488	1.2
207.10162	3.8
207.13785	17.1
207.15520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	4-(3-Methoxy-4-hydroxy)phenyl-3-methyl-3-buten-2-one
Peak:m/z	Relative Intensity
53.03943	0.6
55.01870	2.3
55.05500	1.9
57.03437	1.0
59.04990	2.0
65.03934	1.5
67.05495	8.8
68.05826	1.1
69.00547	0.6
69.03432	1.8
70.07368	1.5
70.07685	0.7
71.04987	7.7
72.87871	0.5
73.40302	0.5
77.03906	0.9
79.05475	5.4
81.07043	9.5
83.04976	1.1
91.05468	19.7
92.71358	0.6
93.07027	2.8
95.04954	5.9
95.08598	2.1
96.05271	0.6
99.04523	0.6
103.05450	2.3
105.03345	0.9
105.07014	12.2
107.04935	4.2
107.08566	2.1
109.06514	6.1
115.05449	2.0
117.07011	3.2
119.04938	8.0
119.08569	17.1
121.02853	0.7
121.06480	7.3
121.10126	0.9
121.97500	0.6
123.04404	8.0
123.08078	0.7
126.10255	0.6
128.06210	3.8
129.06979	5.8
131.04930	2.1
131.08568	1.6
132.01996	0.8
132.05690	0.8
133.02812	1.4
133.06499	2.4
133.10152	5.3
135.04430	1.2
135.08041	1.8
137.05957	100.0
138.06306	1.3
141.05432	1.5
143.08548	7.1
145.06450	2.7
146.07237	2.9
147.04379	8.8
147.08022	19.0
147.11728	0.6
148.05177	0.9
149.02330	0.9
149.05948	8.5
149.09596	2.3
151.03885	32.0
151.07520	2.0
153.06926	0.7
157.06487	1.4
160.05156	5.9
161.05936	11.4
161.09589	11.2
163.07513	3.4
163.11168	0.8
165.05428	4.9
165.09082	2.4
165.12709	0.7
171.08018	1.0
174.06732	6.1
175.03886	7.3
177.09087	9.9
179.06985	1.8
179.10663	2.1
189.09067	23.2
190.01234	0.6
192.04115	1.6
195.46408	0.6
207.06422	4.3
207.08330	1.5
207.10126	23.2
207.13475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.4
55.01865	10.6
55.05505	5.3
57.03410	1.0
57.07068	1.4
59.04995	2.8
65.03939	4.4
67.05494	6.1
68.99785	4.7
69.03407	6.5
69.07079	2.2
69.50427	2.6
71.04974	5.2
75.50716	0.6
77.03934	1.9
79.05480	13.7
81.03416	1.1
81.07043	19.4
81.07489	1.2
83.01295	0.7
83.04981	1.8
83.46782	0.7
85.02892	80.0
85.06551	1.9
87.04445	1.1
89.03912	2.2
91.05464	63.9
92.05797	0.8
93.07027	14.4
95.04946	7.7
95.08595	6.0
97.06527	0.9
103.05467	6.4
104.06259	1.1
105.03378	2.4
105.04502	1.5
105.07012	44.9
107.04942	11.7
107.08570	9.5
109.02898	0.8
109.06491	4.7
109.10134	16.0
111.04430	1.4
111.08087	1.4
115.05424	9.9
116.06240	1.7
117.06998	7.8
118.04144	2.2
118.07730	0.9
119.04922	38.1
119.08557	24.1
121.02844	1.5
121.06487	20.0
121.10121	10.5
123.04409	8.7
123.08049	3.8
123.11687	50.8
124.05217	1.6
124.12023	0.9
125.05965	10.9
127.07523	0.9
128.06197	20.2
129.06982	3.4
130.07813	1.6
131.04904	12.2
131.07060	1.3
131.08540	11.1
132.02055	2.8
132.05701	8.0
133.06471	11.6
133.10104	23.8
135.04413	3.0
135.07980	3.5
136.05157	1.1
137.05957	23.5
137.09544	1.6
141.05464	2.0
141.06955	1.7
143.04913	0.9
143.08540	20.8
145.06468	9.5
145.08556	3.0
145.10138	3.3
146.03583	1.3
146.07242	13.7
147.04382	45.0
147.08025	17.0
147.11658	10.4
148.05199	3.4
149.02328	4.6
149.05960	19.0
149.09586	17.0
151.07481	4.5
152.06247	0.9
155.05995	1.7
156.09300	1.6
157.03926	3.4
157.06483	1.4
159.04369	1.0
159.08015	3.7
160.05173	60.4
161.05960	35.0
161.09590	44.2
161.13217	3.3
162.06630	1.4
162.10023	0.8
163.03886	1.7
163.07544	1.4
163.11183	1.9
164.04651	3.6
165.05470	1.4
165.09071	1.3
165.12737	3.9
169.08643	1.3
171.08006	6.4
171.11684	2.2
172.08784	2.5
173.05962	4.2
174.06731	46.7
174.10223	1.3
175.03879	29.7
177.01729	1.3
177.09077	12.1
179.06985	3.4
179.10545	1.0
189.09070	100.0
189.12640	9.9
190.09404	2.3
192.04121	11.1
192.05736	1.0
207.06485	20.4
207.10130	18.3
207.13759	37.0
208.10344	0.8
208.14082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03926	1.8
54.59025	0.9
55.01855	1.5
55.05510	8.1
56.19884	0.9
56.27506	1.0
57.03420	2.1
57.07072	6.4
59.04979	3.8
63.86317	0.9
65.03945	1.2
65.04370	0.9
67.05223	0.9
67.05502	12.1
69.03420	10.0
69.07057	6.4
69.36498	3.4
71.04977	4.3
73.55360	1.0
75.60909	1.0
79.05482	13.2
81.07037	18.3
83.04982	6.6
83.08593	1.4
85.02894	5.9
85.06538	6.4
90.70265	0.9
91.05469	30.5
93.07034	16.4
94.21840	1.2
95.04967	7.7
95.08594	19.7
97.06499	2.5
97.61928	1.0
98.23515	2.0
103.05470	4.2
105.04493	1.1
105.07014	66.0
107.04949	9.1
107.08580	23.6
109.06494	22.3
109.10132	4.3
111.08064	2.2
115.05444	2.4
116.06226	1.8
117.06991	10.2
118.04166	1.6
119.04938	6.2
119.08564	64.1
121.06503	6.2
121.10126	27.3
123.08059	21.1
123.11697	8.3
125.05975	1.8
125.09616	2.5
125.21498	1.2
128.06216	8.2
129.06982	9.8
130.07771	6.4
131.04880	3.5
131.08554	21.7
133.06467	7.6
133.10109	18.7
135.08026	4.6
135.11673	3.2
137.05940	2.7
137.09608	6.3
137.13225	3.3
141.06972	6.8
142.07742	2.1
143.08560	8.9
145.06490	4.2
145.10110	18.2
146.03654	1.7
146.07254	5.8
146.10896	6.0
147.04384	1.5
147.08037	16.8
147.11667	71.4
148.05186	5.3
148.11977	1.4
149.09587	23.0
151.07512	12.6
151.11133	1.3
155.08562	1.2
156.09326	22.3
159.08086	7.1
159.11691	1.7
160.08809	4.2
161.05956	65.9
161.09601	17.7
161.13237	33.0
163.11168	15.6
165.09119	2.9
165.12711	8.8
171.08006	1.2
171.11641	11.1
173.09592	2.2
174.06729	3.0
174.10353	15.1
179.14235	6.1
189.09114	16.3
189.12718	58.2
190.13091	2.1
207.06461	2.5
207.10336	3.3
207.13773	100.0
208.14128	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05494	6.5
56.59115	0.8
57.03424	1.1
57.07061	3.5
59.04982	1.7
65.03912	2.2
65.93359	1.1
67.05495	29.7
67.85845	0.8
69.03418	4.7
69.07046	3.3
69.49305	2.8
69.49691	1.9
71.04975	2.5
76.42247	0.8
77.03902	1.2
79.05481	4.1
81.07054	11.3
83.04964	3.1
85.02890	31.9
85.06523	11.0
91.05471	11.2
93.07037	14.3
95.04932	4.9
95.08591	100.0
96.08897	1.2
97.06490	1.7
103.05435	1.1
105.07011	23.9
107.04928	2.2
107.08577	18.5
109.06501	5.1
109.10141	9.4
111.08089	1.2
113.06000	3.6
115.05450	1.7
117.06989	2.4
118.76917	1.0
119.04929	2.4
119.08565	32.2
120.09355	1.6
121.06485	2.9
121.10129	18.0
123.08051	53.3
123.10783	1.2
123.11687	24.1
124.08345	1.1
125.05968	3.3
128.06232	1.4
129.06967	2.1
131.04970	1.1
131.08551	7.6
133.06468	1.9
133.10118	5.2
135.11644	2.9
137.09590	4.1
137.13255	1.2
138.06187	0.9
139.07582	1.1
141.06947	1.2
143.08534	2.5
145.10144	4.6
146.10930	1.5
147.04327	1.2
147.08047	7.4
147.11662	23.0
149.09596	32.5
151.07538	5.0
151.14815	4.4
153.09070	1.0
156.09325	4.6
159.08000	2.3
160.08783	1.7
161.05917	5.2
161.09576	3.1
161.13239	18.7
163.11134	3.8
165.09099	1.0
165.12730	8.7
171.11682	3.1
174.10359	5.9
175.03978	1.3
179.14261	1.9
189.09108	1.7
189.12729	26.0
207.13777	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
54.57410	1.8
55.01855	3.9
55.05510	9.8
56.66705	2.4
57.03429	2.5
57.07055	3.1
59.04985	2.2
65.03942	2.2
67.05495	9.8
69.00655	2.0
69.03413	7.1
69.07060	13.9
69.17361	12.4
69.69432	1.8
71.04972	5.0
74.09056	2.1
79.05482	10.7
81.07050	15.5
83.04968	13.3
83.08581	3.9
85.02898	19.3
85.06516	4.8
91.05469	17.7
92.74461	2.0
93.07032	17.0
95.04959	19.7
95.08581	12.9
97.06512	13.0
99.04449	1.9
103.05440	2.0
105.07021	32.9
107.04944	2.5
107.08578	25.7
109.06504	74.2
109.10155	12.3
111.08067	32.6
113.32604	2.2
117.07016	3.1
118.97392	1.9
119.04920	5.8
119.08555	28.1
121.06496	6.5
121.10115	23.4
123.08038	24.2
123.11694	12.0
125.05949	2.9
129.06985	3.5
131.04892	3.4
131.08548	12.1
133.06456	5.9
133.10110	17.2
135.08018	7.4
135.11682	2.6
137.05942	4.0
137.09596	19.0
137.13216	3.0
145.10098	8.5
146.07219	2.5
147.04378	4.0
147.08061	12.9
147.11662	46.8
148.11989	2.2
149.02299	3.8
149.09587	41.2
151.07509	35.0
156.09314	11.1
159.08018	6.5
160.08812	3.3
161.05951	40.1
161.09596	20.8
161.13234	23.2
163.11142	18.6
164.08304	2.6
165.09119	4.8
165.12744	43.2
171.11662	16.6
174.10403	14.5
175.03859	2.4
179.07013	2.6
189.09094	13.4
189.12708	53.3
192.04230	2.6
207.06473	8.9
207.13773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.60086	0.6
55.01871	0.6
55.05513	1.7
57.07074	1.2
59.04996	0.7
65.03935	1.5
67.05496	6.1
69.03426	2.0
69.07062	2.2
70.92394	0.9
71.04987	3.5
79.05489	4.0
81.07047	16.7
83.04976	1.1
85.02896	100.0
85.06528	1.1
85.61784	0.5
86.03218	0.7
91.05475	12.9
93.07043	6.8
95.04963	1.6
95.08595	6.8
97.04947	0.6
97.06480	0.6
103.05482	0.9
105.07022	9.9
107.04945	1.3
107.08591	7.3
109.06509	3.7
109.10146	16.8
111.04465	1.2
116.06153	0.6
117.07007	1.7
118.04120	1.0
119.04938	8.7
119.08565	9.7
120.08144	0.9
121.06461	1.7
121.08432	1.0
121.10134	12.9
123.04469	0.8
123.08099	3.7
123.11695	64.1
125.05980	11.0
128.06209	0.9
130.07726	1.0
131.08577	2.6
132.02029	0.6
133.06491	1.8
133.10114	2.0
135.04356	0.6
135.11736	0.9
137.05962	1.2
137.09602	1.8
137.13326	0.7
137.30196	0.6
141.05446	1.4
143.08527	1.5
145.08589	2.2
145.10086	3.0
147.04390	6.8
147.08008	5.8
147.11676	10.5
147.49704	0.6
149.02284	1.0
149.09601	15.4
151.07520	5.3
156.09357	2.4
157.03996	1.4
159.07986	1.4
160.05212	0.8
161.05986	4.6
161.09627	3.7
161.13234	3.6
161.14467	0.6
163.11159	1.3
164.04672	0.8
165.12723	3.2
166.08458	0.6
169.08470	0.9
171.11661	2.3
174.10379	1.7
175.03883	7.2
179.07031	2.2
189.09093	2.1
189.12729	10.2
192.04124	2.6
207.06487	4.8
207.13779	39.6
208.14069	0.7
222.49792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.42526	0.7
53.03934	1.1
55.01870	6.7
55.05494	3.6
59.04999	1.2
60.91964	0.7
61.02918	1.2
65.03920	1.0
65.64537	0.8
67.05489	4.9
69.03417	1.6
69.07060	5.6
69.11929	4.7
69.12344	1.6
71.04984	5.0
77.03916	1.5
79.05482	12.2
81.07050	15.8
81.78346	0.9
83.04975	2.0
84.30357	0.7
85.06521	3.8
86.38711	0.8
91.05469	22.6
93.07015	10.5
95.04962	4.3
95.08586	5.7
97.06523	2.4
97.10165	1.4
99.04443	1.9
103.05453	2.2
105.07017	56.4
107.04931	3.8
107.08579	28.6
107.09119	0.8
109.06503	12.9
109.10132	5.7
111.08090	1.2
115.05412	1.6
116.06239	1.0
117.07001	3.1
118.04143	3.5
119.04929	17.6
119.08566	40.5
119.09416	2.1
121.06487	7.0
121.10139	8.1
123.08057	15.8
123.11690	1.8
127.07525	3.5
128.06206	3.1
129.06975	10.0
130.07787	2.0
131.04906	5.9
131.08559	8.3
132.05678	1.0
133.05515	1.6
133.06471	15.5
133.10100	8.5
135.08067	2.6
137.05977	6.0
137.09576	5.8
139.07524	1.1
141.07016	1.4
141.64157	0.8
143.08533	5.2
145.06454	2.6
145.10101	19.9
146.03627	1.7
146.07230	5.7
147.04382	2.0
147.08043	9.8
147.11665	66.3
148.05186	4.1
148.12007	1.2
149.02361	1.4
149.09596	27.4
151.07536	9.0
151.11121	1.6
156.09308	12.1
157.06485	1.5
159.04449	0.9
159.08011	1.6
160.08810	1.0
161.05959	100.0
161.09586	23.9
161.13225	8.2
162.06348	1.3
163.11188	4.4
164.04741	1.2
165.12723	25.0
171.11670	27.1
172.12022	1.2
174.06764	2.8
174.10378	4.3
179.06915	1.3
179.14273	1.1
189.09097	26.5
189.12715	61.6
190.13060	1.3
192.04085	1.1
207.06477	3.5
207.10081	2.8
207.13777	82.3
208.14143	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1742
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
55.05504	8.7
57.07074	3.5
58.47973	3.2
67.05494	19.9
67.35096	3.1
69.07062	16.0
79.05479	13.3
81.07050	40.2
83.08624	6.2
91.05466	20.2
93.07038	27.4
95.04969	6.1
95.08589	56.8
97.10181	4.8
98.22602	5.0
105.07018	49.5
107.08578	34.8
109.10149	22.3
111.08063	3.6
119.08562	62.1
121.10145	14.8
123.08114	3.6
123.11702	7.5
133.10101	48.9
135.11700	4.1
137.09627	3.3
145.10155	8.3
146.10892	4.1
147.11662	37.1
149.13237	51.3
161.13237	11.0
163.14796	4.4
177.16434	4.1
179.18010	2.8
189.16354	100.0
207.13795	6.9
207.17451	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	208.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63336	0.3
73.99707	0.3
74.25489	0.3
78.50979	0.3
85.53847	0.3
91.05473	1.7
98.23509	0.6
112.76479	0.3
118.06516	3.1
128.04948	13.2
132.04425	1.7
146.05984	100.0
147.06313	1.7
148.03894	2.2
162.05475	1.4
162.92490	0.3
164.07031	0.6
176.03476	0.5
208.06039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01858	0.9
65.03928	1.1
66.60221	0.2
67.05468	0.3
69.70147	0.6
71.04971	0.2
77.03909	0.3
79.05482	1.5
81.03408	0.3
82.04186	1.8
83.04963	0.2
85.06516	0.3
89.03899	0.3
91.05461	1.9
92.02589	0.3
93.03387	1.4
93.07030	0.7
95.04961	1.4
95.08656	0.2
97.06516	0.6
103.05445	0.6
105.03349	0.4
105.04469	0.3
105.06966	0.2
106.04158	2.5
107.04937	8.8
107.08576	0.3
109.06503	0.4
110.03638	1.8
111.04456	0.3
117.03402	0.3
120.02071	0.8
121.02848	3.6
121.06493	2.6
125.05960	0.7
125.09627	0.2
131.04967	0.4
133.02861	0.3
133.89902	0.2
134.03560	0.2
135.04396	8.7
135.08072	0.2
137.05975	0.5
138.03094	4.5
145.02882	0.3
145.03963	0.6
147.04379	0.4
148.05165	0.3
149.02315	24.8
149.05954	2.6
149.09602	0.3
150.02991	0.8
153.05440	9.6
153.09007	0.5
163.03877	12.8
164.04196	0.3
165.05443	0.9
166.02588	7.7
177.01817	1.6
177.05428	1.7
181.04927	4.7
181.08560	0.3
194.02080	20.6
195.02388	0.6
209.04413	100.0
209.15312	0.8
210.04723	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	209.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05141	0.6
51.39376	0.6
55.01868	1.8
55.05493	0.9
65.03931	1.7
67.05483	1.4
71.04939	0.7
79.05498	1.5
81.07034	1.4
82.04186	1.4
83.04932	0.8
83.08603	0.8
91.05470	2.5
93.03382	1.3
93.07048	1.4
95.04929	1.9
95.08595	1.0
97.06498	0.9
103.05408	0.8
106.04160	2.4
107.04932	6.9
107.08544	1.1
109.06510	1.0
110.03650	1.1
121.02851	3.0
121.06479	2.8
121.10061	1.1
132.26158	0.7
135.04391	8.0
137.05917	1.0
138.03102	2.2
148.05173	0.9
149.02316	20.4
149.05949	3.0
153.05432	10.2
163.03877	10.6
166.02588	6.7
177.01826	1.8
177.05473	2.4
181.04971	4.9
194.02080	18.0
197.78638	0.6
209.04424	100.0
209.15331	2.8
210.04776	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0443
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
55.01853	0.4
55.62895	0.3
65.03923	1.0
67.05487	0.5
69.66772	0.9
69.67152	0.4
79.05493	1.4
81.07037	0.5
82.04212	1.4
84.67346	0.3
91.05479	0.4
92.02605	0.6
93.03387	1.0
93.06987	0.4
95.04931	0.7
95.08586	0.5
97.06516	0.5
104.17316	0.3
107.04935	8.8
107.08598	0.5
110.03635	2.0
111.01406	0.3
111.24382	0.3
112.33276	0.3
120.02039	0.5
121.02863	2.4
121.06455	0.4
121.10078	0.3
125.05995	0.6
135.04396	8.6
138.03104	4.1
145.03943	0.6
149.02319	26.0
149.09573	0.5
150.02916	0.5
153.04222	0.6
153.05447	8.5
163.03880	12.1
163.21970	0.3
165.05434	0.9
166.02589	6.8
177.01796	1.2
181.04913	5.3
191.14153	0.4
194.02080	20.5
195.02385	0.5
209.04417	100.0
209.15274	1.4
210.04718	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	209.0443
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
55.01849	1.6
55.05490	1.3
59.58614	1.0
65.03929	2.0
67.05477	1.1
69.39411	2.5
69.39796	2.5
78.04680	2.6
79.05476	4.3
81.07021	1.6
82.04185	2.4
85.02895	1.7
91.05480	5.5
93.03394	4.7
93.07027	4.5
93.97096	1.2
95.04958	4.7
95.08604	2.1
97.06522	2.7
98.22701	2.0
103.05456	3.1
106.04158	8.7
107.04958	10.1
107.08569	1.9
109.06488	1.4
109.10121	1.3
110.03650	1.6
120.02130	1.1
121.02829	3.1
121.06485	8.5
121.10126	1.5
125.05960	3.5
126.34438	1.1
135.04388	9.9
137.06006	1.9
138.03107	4.1
149.02324	26.1
149.05945	9.4
153.05429	9.3
153.09090	2.6
163.03894	13.0
165.05455	1.2
166.02631	7.8
177.01721	2.0
177.05429	4.6
181.04918	5.2
181.08653	1.6
191.14301	1.4
194.02074	22.3
209.04430	100.0
209.07774	2.6
209.13322	1.1
209.15323	3.2
210.04863	1.5
210.07686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0443
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
55.01851	0.5
55.05508	3.8
57.07049	0.5
59.04972	0.3
65.03913	1.0
67.05507	1.3
68.37658	0.3
68.99802	0.4
69.03391	0.8
69.07044	1.1
70.74233	0.5
71.04965	1.0
75.26857	0.3
79.05486	2.3
81.03398	0.5
81.07043	1.9
82.04200	1.8
83.04968	4.8
83.08596	1.7
85.06512	0.4
91.05472	1.9
92.02611	0.4
93.03382	1.3
93.07034	2.1
95.04948	6.2
95.08574	1.2
97.06512	0.9
97.10149	0.6
99.04409	0.9
99.08053	0.5
103.05450	0.4
105.03355	0.9
105.04538	0.3
105.07005	2.1
106.04127	0.4
106.07397	0.3
107.04935	10.3
107.08562	3.3
109.02877	0.3
109.06511	2.2
109.10139	1.8
110.03619	1.9
111.04424	0.3
111.08055	1.2
112.00648	0.3
119.08548	0.8
120.02068	0.7
121.02842	2.9
121.06518	1.7
121.10111	2.1
123.08025	0.6
123.11684	0.7
125.05957	0.6
125.09550	1.5
131.08540	1.3
133.06470	1.1
133.10106	1.3
135.04396	9.3
135.08005	0.8
135.11617	0.5
137.05910	0.6
137.09570	0.5
138.03075	3.8
145.03946	0.7
145.10098	0.9
148.01518	0.4
149.02315	25.4
149.05925	1.3
149.09570	1.8
149.13202	1.1
150.02936	0.6
150.06660	0.3
151.11166	2.5
153.05432	10.1
153.06657	0.6
153.09047	1.9
163.03879	11.5
163.07559	0.5
163.14774	0.6
165.05429	0.9
165.09097	0.5
166.02588	8.2
167.14272	2.9
173.13237	0.9
177.01822	1.2
177.05400	0.8
181.03456	0.2
181.04915	5.2
191.10591	0.5
191.14326	1.4
194.02075	20.2
195.02425	0.5
209.04411	100.0
209.15323	4.1
210.04744	2.3
214.86824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0442
Annotation	6,8-Dihydroxy-7-methoxycoumarin
Peak:m/z	Relative Intensity
55.01862	1.6
55.05494	0.8
59.04973	1.0
65.03930	2.6
67.05479	0.7
68.02619	0.4
68.99753	0.5
69.03422	1.5
69.07053	0.5
69.60486	0.8
71.04992	0.3
79.05489	1.5
80.51331	0.2
81.03377	0.3
81.07026	0.7
82.04172	0.8
83.04955	0.7
83.08586	0.4
85.02878	1.2
85.06530	0.3
91.05463	1.5
92.02631	0.3
93.02950	0.2
93.03395	2.5
93.07039	1.1
95.04961	1.3
95.08591	0.5
97.06505	1.7
98.23434	0.4
100.11195	0.4
103.05439	0.7
103.07538	0.4
105.03323	0.4
105.07018	0.7
106.04143	0.3
107.04917	0.9
107.08597	1.3
109.06503	1.2
110.03643	2.6
111.04439	2.6
117.06995	0.8
119.04853	0.4
120.02047	0.7
121.02844	1.4
121.06543	1.3
121.07310	0.3
121.10152	1.2
123.04382	0.4
123.08028	0.4
125.05970	5.8
125.06894	0.3
131.04881	0.8
131.08524	0.9
133.10089	0.4
135.04395	4.1
135.08066	0.5
135.11658	0.3
137.05898	0.5
138.03094	6.5
145.06429	0.6
145.10083	0.6
147.04326	0.3
148.01526	0.6
149.01216	0.5
149.02332	6.1
149.05946	1.6
149.09607	1.3
153.05443	17.5
153.09062	0.6
154.05757	0.3
163.03879	0.7
163.07483	0.9
163.11136	0.5
166.02608	5.3
167.14310	0.4
176.04532	0.3
177.01802	2.4
177.05450	1.6
181.04906	2.0
185.17152	0.2
191.03304	1.5
191.06973	0.8
191.10683	0.7
191.14212	0.6
194.02075	30.3
195.02443	0.7
209.04416	100.0
209.15147	1.3
210.04712	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	209.0443
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
55.01858	0.9
55.05490	0.8
57.07077	0.3
65.03920	0.8
67.05482	0.8
67.93590	0.2
69.03408	1.1
69.07060	2.0
69.26488	1.5
71.04982	1.7
77.09879	0.3
79.05039	0.3
79.05478	4.8
81.07036	1.4
82.04176	1.4
83.04969	1.9
83.08598	0.6
85.06505	0.4
91.05466	2.9
92.02647	0.3
93.03400	0.7
93.07030	4.5
95.04960	2.0
95.08584	0.7
97.06500	0.9
97.10159	0.5
99.08081	0.5
103.05452	0.6
103.14973	0.3
105.07026	2.7
106.04160	0.3
107.04942	10.4
107.08581	5.9
109.06481	1.2
109.10143	0.5
110.03661	1.8
111.08041	0.3
113.06031	0.3
117.06991	0.6
119.08542	1.3
120.02081	0.7
121.02859	2.7
121.06494	3.5
121.09366	0.4
121.10131	3.8
123.04430	0.5
123.08046	0.6
125.05973	1.0
125.09608	2.3
129.06995	0.3
130.07729	0.3
131.08549	8.5
132.36667	0.3
133.02827	0.5
133.10100	0.3
135.04396	8.9
135.08041	0.9
135.11641	0.6
137.05923	0.5
138.03104	3.6
139.07573	0.5
141.05429	0.3
145.03931	0.5
145.10123	2.9
147.08061	0.4
147.11623	0.3
149.02322	24.3
149.05931	1.2
149.08453	0.5
149.09608	8.1
150.02992	0.5
151.11131	1.2
153.05449	8.7
153.09058	1.0
163.03885	11.7
163.07521	0.4
163.11172	2.3
163.14822	0.3
165.05484	1.1
166.02608	7.1
167.07016	1.5
173.13228	0.4
177.01808	1.7
177.05463	0.7
181.04927	5.1
191.03456	0.3
191.10652	2.7
191.14259	1.1
194.02084	19.9
195.02396	0.4
209.04424	100.0
209.11711	4.0
209.15367	2.1
210.04723	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0443
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
55.05503	0.5
57.75163	0.2
58.18750	0.2
63.51984	0.2
65.03933	0.8
67.05495	0.7
69.03398	0.2
69.07048	0.3
71.04984	0.2
71.44276	0.2
78.34768	0.2
78.75117	0.2
79.05473	1.6
81.03415	0.4
81.07059	1.4
82.04194	1.5
83.04955	0.2
83.08598	0.3
89.03897	0.2
91.05470	0.8
92.02604	0.4
93.03389	0.9
93.07027	1.1
95.04958	1.2
95.08602	0.8
97.06523	0.4
103.05484	0.2
105.04522	0.3
105.07014	0.7
106.04173	0.7
107.04938	8.7
107.08569	1.0
109.02861	0.3
109.06470	0.5
110.03645	1.9
111.08067	0.2
117.06970	0.2
119.08562	0.2
120.02049	0.6
121.02853	3.0
121.06493	1.2
121.10119	0.5
123.04431	0.2
123.08096	0.2
125.05973	0.4
133.02823	0.4
135.04395	7.1
135.08070	0.2
135.11668	0.6
137.06006	0.2
137.41614	0.2
138.03104	3.6
145.03932	0.6
145.10106	0.7
147.08025	0.2
148.01521	0.2
148.05241	0.2
149.02321	25.4
149.05959	0.8
149.09566	0.2
150.02972	0.6
151.03867	0.2
153.05441	9.1
153.09097	0.4
159.00819	0.2
163.03882	12.5
163.11169	1.8
164.04225	0.3
165.05473	0.9
166.02596	7.9
166.54387	0.2
177.01797	1.3
177.05452	0.5
181.04930	4.9
182.05272	0.2
191.10722	0.3
194.02074	19.3
195.02400	0.3
209.04417	100.0
209.15327	1.0
210.04710	2.1
227.11212	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	209.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
57.07062	0.7
65.03920	1.2
67.05498	0.8
67.33769	0.3
68.99784	0.3
69.07059	0.3
70.54861	0.5
72.33796	0.3
77.03904	0.3
78.81206	0.3
79.05489	1.9
81.03439	0.3
81.07037	0.8
82.04189	1.9
83.04967	0.7
83.08634	0.3
91.05450	0.4
93.03376	0.9
93.07005	0.4
95.04934	0.6
95.08568	0.8
97.06532	0.4
105.03448	0.4
105.04548	0.4
107.04939	9.8
107.08568	0.6
109.02885	0.5
110.03623	1.7
111.04437	0.5
120.02110	0.4
121.02838	3.0
123.04374	0.3
125.05977	0.4
133.02782	0.4
135.04391	8.8
138.03098	4.4
145.03958	0.5
145.10150	0.4
149.02319	25.3
149.07062	0.3
150.03113	0.7
153.05435	9.8
163.03882	11.9
165.05444	0.9
166.02596	8.5
177.01790	1.1
181.04906	4.4
194.02083	22.6
209.04420	100.0
209.15326	2.6
210.04730	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0444
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
53.36065	0.2
55.01847	0.3
55.05499	0.2
65.03941	1.2
65.04230	0.2
67.05476	0.4
68.99771	0.3
69.33839	1.3
70.53281	0.2
77.03904	0.5
77.92729	0.2
78.04700	0.3
79.05498	1.2
81.03410	0.3
81.07059	0.4
82.04195	1.6
83.04963	0.3
85.33999	0.2
89.03899	0.5
91.05456	1.2
92.02637	0.4
93.03390	1.1
93.07020	0.5
95.04950	1.3
95.08564	0.2
97.06512	0.4
103.05423	0.3
105.03393	0.3
106.04174	2.1
107.04950	9.3
108.05272	0.2
109.02843	0.3
110.03664	1.7
111.04441	0.3
120.02072	0.8
121.02858	2.6
121.06494	1.4
125.05988	0.7
133.02798	0.3
135.04398	8.1
136.04744	0.2
137.05951	0.5
138.03110	3.8
143.70869	0.2
145.03932	0.7
148.01521	0.3
149.02325	25.9
149.05954	2.2
150.02936	0.5
153.05444	9.9
153.09018	0.5
163.03882	13.5
164.04132	0.3
165.05460	0.8
166.02597	7.5
177.01866	1.4
177.05434	0.8
181.03447	0.4
181.04930	4.7
181.06413	0.4
181.08545	0.7
194.02086	20.7
195.02373	0.4
209.04427	100.0
209.15375	1.3
210.04768	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	209.0808
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
50.46937	1.1
50.55016	1.0
53.03931	2.6
55.01865	9.9
55.05503	4.8
61.48058	1.1
65.03928	11.6
65.10237	1.1
66.17778	1.1
67.05492	7.9
68.99782	1.3
69.03413	1.3
69.07047	3.8
71.04987	2.2
75.04467	14.3
77.03928	2.0
78.04706	14.6
79.05486	10.6
81.07050	5.0
82.04195	1.5
83.04964	3.7
83.08603	2.2
85.02898	10.6
85.06540	2.3
89.03897	5.6
89.06005	2.8
91.05470	48.4
92.05784	1.5
93.03393	30.3
93.03943	2.1
93.07037	23.6
95.04961	27.1
95.08602	1.9
97.06522	12.2
99.08086	1.3
103.05453	21.6
105.03392	3.5
105.04518	6.3
105.07008	5.4
106.04161	84.2
106.07349	1.3
107.04958	5.1
107.08593	4.9
108.05730	2.7
109.06505	7.0
109.10168	2.2
111.04404	3.9
111.08054	1.3
117.03371	4.2
118.04121	1.7
119.04907	4.7
119.06059	1.1
120.05715	2.9
121.06490	82.4
121.10101	6.1
122.07328	1.7
123.04425	4.0
123.08076	3.6
124.05173	2.8
125.05975	23.2
125.09608	2.2
131.04869	5.8
131.08533	1.5
133.02928	1.4
133.10118	2.2
134.03630	14.0
135.04405	4.6
135.08075	3.5
135.11673	1.7
137.05954	12.5
137.09584	1.6
138.06737	4.5
139.07500	5.5
145.02843	5.2
145.10135	1.3
146.03548	1.2
147.04437	1.6
147.11760	1.3
148.05157	8.8
149.05960	100.0
149.13196	2.7
150.06352	1.8
151.03929	2.8
151.07536	5.1
151.11169	1.8
153.05461	5.7
153.09087	17.7
162.91301	1.2
163.03868	1.7
163.07533	5.9
163.11189	1.6
163.14819	1.6
164.06937	1.1
165.05492	3.2
165.12749	1.5
166.06277	2.9
167.06967	1.2
167.14145	1.3
177.05440	37.4
181.08575	19.2
191.06989	5.5
191.10605	1.5
191.14294	3.5
191.29089	1.3
192.04289	1.2
194.05791	1.5
209.04324	1.3
209.07993	19.2
209.15372	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	209.0807
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02338	1.6
53.03931	4.8
55.01869	8.7
57.03424	1.2
61.02918	1.3
65.03933	17.4
67.05492	6.4
68.99776	3.7
71.04984	2.0
75.04471	14.5
77.03930	5.6
78.04700	15.3
79.05483	11.5
81.03377	2.1
81.07033	4.3
82.04187	2.3
83.04980	2.3
85.02897	11.4
89.03904	8.6
89.06006	2.5
91.05468	59.3
91.06042	3.0
92.06270	1.5
93.03394	35.9
93.07028	16.6
95.04954	24.6
95.08585	2.5
97.06513	15.1
103.05460	20.8
105.03364	2.7
105.04494	7.6
105.07025	2.8
105.96239	1.1
106.04160	92.4
107.04974	7.7
107.08590	4.0
108.05736	1.7
109.06520	8.3
109.10114	1.4
109.97224	1.0
110.03639	1.7
111.04418	3.1
117.03370	7.4
118.04168	2.3
119.04913	4.4
119.06077	1.5
121.02895	6.0
121.06493	80.0
121.10148	1.8
122.03633	2.0
123.04401	6.5
123.08035	3.3
124.05219	1.8
125.05972	28.2
131.04947	7.1
133.02853	2.1
133.10135	2.2
134.03595	14.8
135.04437	6.9
135.08038	1.7
135.11708	1.3
137.05951	13.7
138.06749	4.0
139.07553	5.8
145.02849	4.3
147.04395	1.5
148.05186	9.3
148.06256	1.6
149.02325	2.8
149.05960	100.0
149.13219	1.6
150.06316	2.2
151.03894	1.9
151.07509	6.5
151.11185	2.2
152.08293	1.6
152.59781	1.1
153.05479	7.7
153.09082	21.7
159.04385	2.5
161.18771	1.2
163.03874	4.5
163.07489	5.3
165.05444	2.2
166.06244	2.3
167.07037	2.7
176.04691	1.3
177.05450	40.9
181.04918	3.9
181.08597	18.4
181.10121	2.1
191.07040	4.5
191.14307	3.2
194.02052	1.9
194.05710	1.1
209.04433	8.6
209.08006	19.4
209.11459	1.3
209.15393	3.9
220.86078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02367	1.1
53.03945	4.0
55.01861	14.8
55.05500	1.5
57.03420	1.8
57.83194	0.7
61.02887	1.0
63.84719	0.9
65.03928	15.7
65.95500	0.8
67.05494	7.8
69.03428	1.5
69.07035	1.4
70.03574	1.0
70.03902	2.0
71.04971	2.1
71.55857	0.9
75.04462	11.5
77.03923	2.4
78.04692	14.8
79.05466	11.0
81.03410	2.0
81.07052	3.7
82.04190	1.9
83.04958	2.7
83.08608	1.6
85.02890	10.2
85.06525	1.1
89.03918	7.6
89.06014	3.8
91.05464	52.0
93.03388	32.6
93.07028	21.3
95.04956	28.1
95.08585	5.3
96.70864	0.8
97.06516	12.1
98.23169	2.4
99.04464	1.0
103.05452	22.2
105.03380	3.4
105.04482	6.4
105.07031	3.2
106.04154	90.5
107.04977	8.3
107.08575	4.6
108.02057	1.1
108.05724	1.6
109.06526	4.5
109.10117	1.2
110.03656	2.5
111.04419	3.0
111.08051	0.8
117.03354	6.2
118.04147	1.7
119.04923	5.3
119.08553	1.1
120.05703	2.7
121.06484	84.9
121.10140	2.4
122.03606	1.4
122.06817	0.9
122.07314	1.0
123.04411	4.3
123.08056	3.4
124.05188	3.2
125.05968	22.7
125.09627	1.5
131.04916	8.1
131.08528	1.4
133.02888	1.5
133.06435	1.5
133.10176	1.0
134.03596	13.4
135.04414	5.9
135.08046	1.9
135.11681	2.8
137.05954	11.9
138.03105	1.8
138.06732	4.5
139.03850	1.1
139.07500	6.4
145.02826	7.2
145.10109	2.5
147.04422	1.3
148.05154	10.6
149.02306	3.1
149.05952	100.0
150.06531	1.4
151.03896	2.5
151.07471	4.6
152.08316	2.0
153.05452	9.8
153.09081	19.9
153.10245	1.3
159.04395	2.0
163.03915	2.4
163.07468	4.8
163.11189	2.5
165.05473	3.1
166.02603	1.3
166.06233	4.4
167.06993	1.6
176.04604	1.8
177.05431	37.1
177.06964	1.9
178.05759	1.1
180.09721	0.9
181.04999	2.0
181.08556	20.0
181.10072	1.4
191.06963	6.9
194.02080	4.3
194.05733	1.5
209.04440	16.4
209.08015	21.5
209.11369	1.0
209.15289	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	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
55.01863	7.2
55.05510	12.5
57.03426	3.8
65.03934	4.1
67.05499	17.5
69.03416	4.8
69.07063	17.2
69.39754	3.2
69.40157	5.6
71.04987	21.5
77.03915	2.2
79.05483	53.0
81.03396	3.5
81.07048	14.3
83.04975	15.6
85.02887	2.8
85.06521	4.0
91.05471	34.2
93.03360	2.5
93.07035	45.7
95.04960	17.3
95.08596	5.1
97.06536	10.9
99.04462	2.4
103.05437	4.6
105.03394	2.7
105.04503	3.8
105.07014	30.6
106.04158	6.1
107.04952	23.6
107.08580	58.7
109.06506	8.3
109.10163	4.1
111.04427	5.5
111.08016	2.0
115.05459	1.7
116.06213	3.1
117.07019	12.0
117.37275	1.6
119.04912	2.7
119.08559	13.7
121.05609	2.7
121.06488	44.1
121.10129	36.5
123.04427	2.2
123.08039	6.1
123.11648	1.5
125.05984	11.7
125.09636	3.3
129.06993	5.8
130.07758	2.9
131.04936	1.7
131.08549	100.0
133.10124	3.2
135.04401	3.4
135.08017	4.5
135.11719	8.2
137.05952	2.5
137.09657	1.8
139.07526	4.2
141.05470	4.3
143.08569	1.9
145.10117	46.0
147.08052	5.4
147.11578	3.5
148.85359	1.7
149.05966	13.5
149.09598	92.1
150.10077	2.2
151.07483	2.0
151.11227	2.5
153.05458	10.6
153.06609	1.5
153.07063	1.4
153.09097	4.2
163.07512	3.6
163.11171	34.4
165.09099	6.4
165.12737	1.7
167.07019	5.2
167.10655	4.9
167.14308	1.6
173.09593	5.0
173.13231	1.7
177.05426	5.1
181.08647	2.0
191.10654	41.7
191.12390	2.1
191.14272	5.2
194.00311	3.6
209.02689	4.9
209.04448	2.5
209.07823	3.5
209.11702	53.8
209.15309	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02368	1.2
53.03934	3.0
55.01867	7.7
55.05257	1.2
55.05509	17.6
57.03429	6.2
57.07061	3.5
59.04984	3.2
65.03934	3.7
67.05163	1.2
67.05500	16.6
69.03420	10.0
69.07064	24.5
69.87151	3.2
71.04985	27.5
75.04488	1.3
75.57562	0.9
77.03917	2.4
77.59827	1.0
78.04697	2.3
79.05485	54.6
80.05789	1.3
81.03394	3.0
81.07050	22.1
83.01331	9.5
83.04975	15.3
83.08595	4.5
85.02898	2.2
85.06528	4.7
91.05470	35.8
93.03389	4.5
93.07035	58.7
95.04959	30.3
95.08593	15.9
97.06524	20.2
97.10152	2.8
98.23403	1.2
99.04424	4.2
99.08096	6.9
101.05962	1.3
103.05457	7.1
105.04510	2.0
105.06345	1.7
105.07023	31.1
105.07728	1.7
106.04156	8.8
107.04946	18.5
107.08585	77.9
108.08842	1.4
109.06508	15.0
109.10143	11.9
109.77013	1.0
111.04420	3.8
111.08083	10.3
113.05981	1.2
116.06201	1.2
117.07013	8.6
119.04924	2.0
119.06068	1.3
119.08562	13.9
121.06497	47.7
121.10133	52.2
123.04362	2.8
123.08047	9.1
123.11687	3.9
125.05974	9.9
125.09613	10.9
129.06995	3.5
130.07750	3.4
131.04890	4.0
131.08554	100.0
132.06776	1.1
132.08943	1.7
133.06566	1.2
133.10109	13.9
134.03606	1.4
135.04373	3.7
135.08052	10.6
135.10902	1.1
135.11700	10.9
137.05992	5.0
137.09621	6.5
137.13214	1.6
139.07532	11.4
139.11174	5.6
141.05440	3.9
143.08533	2.4
145.06490	1.4
145.10110	39.2
147.04337	1.5
147.08005	3.6
147.11646	8.5
148.05202	6.4
149.02328	1.6
149.05969	19.8
149.09604	85.3
149.13229	18.5
150.09825	1.2
151.07489	4.4
151.11198	8.2
153.05467	14.0
153.09076	12.1
158.10904	2.0
159.04358	1.8
161.09711	1.3
161.13261	1.8
163.07539	1.6
163.11166	28.5
163.14824	9.4
165.09067	2.8
165.12756	1.9
166.06227	1.0
167.06998	6.5
167.10614	4.9
167.14319	1.2
173.09625	4.6
173.13246	14.3
176.04631	1.1
177.05476	9.9
181.06541	1.7
181.08578	2.7
181.12346	1.1
181.15909	1.0
191.10652	32.9
191.14299	29.1
194.02014	1.8
194.05742	4.7
209.04472	7.1
209.08078	15.2
209.11711	49.9
209.15327	51.4
210.11996	1.4
210.15662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	1.5
55.01865	4.8
55.05505	26.7
57.03411	1.2
57.07060	4.0
65.03910	0.9
65.68909	0.7
67.05495	14.0
68.42379	0.8
69.03424	1.5
69.07054	4.4
69.54789	3.4
71.04982	1.1
72.38688	0.8
79.05474	13.0
81.07041	19.1
83.04966	100.0
83.08598	3.3
85.06502	1.5
91.05456	6.8
93.06441	1.4
93.07027	23.0
95.04951	1.5
95.08586	15.8
97.06527	1.0
97.10191	1.3
98.23415	1.0
99.08082	1.2
105.07002	2.4
107.04914	1.1
107.07908	1.6
107.08575	17.2
109.06512	1.2
109.10140	4.0
111.04426	1.0
111.08064	6.7
117.07013	2.1
119.08590	0.9
121.06481	1.6
121.10121	8.7
123.08034	1.4
123.11713	1.1
125.09650	2.1
131.08554	3.5
133.10136	2.5
135.08037	3.1
135.11684	1.9
137.09528	0.9
142.29913	0.8
145.10133	1.3
147.11649	1.1
149.09636	1.3
149.13203	8.0
153.09102	1.7
163.14778	6.1
167.14253	0.9
173.13278	3.6
179.08528	1.3
183.04091	1.0
191.14244	5.4
209.11623	1.2
209.13403	1.5
209.15289	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.00784	1.4
53.03937	1.8
55.05499	10.7
57.07063	3.3
59.04993	3.6
61.77433	1.4
67.05495	7.4
69.03416	17.0
69.07057	18.6
69.26180	8.1
71.04975	5.9
76.52317	1.4
77.03923	1.7
79.05485	16.2
81.03410	12.4
81.07046	31.7
83.04978	14.7
83.08601	6.2
85.06533	1.6
87.44551	1.4
90.80279	1.4
91.05484	9.6
93.07030	15.8
95.04967	14.3
95.08020	2.5
95.08591	35.7
97.06507	8.9
98.22699	2.8
99.04477	1.9
99.08060	4.1
105.07003	16.3
106.04192	1.8
107.04996	2.0
107.08581	62.3
109.06502	22.3
109.10136	18.6
111.08064	3.1
113.09637	1.6
115.07550	1.9
119.07645	1.3
119.08559	9.7
121.06500	8.1
121.10129	43.5
123.08043	17.6
123.11690	13.3
125.06038	2.0
125.09624	5.4
131.08536	4.9
133.10098	20.1
135.08018	13.2
135.11662	5.2
137.09615	17.6
139.11165	3.1
145.10092	5.3
147.11650	11.8
149.05951	3.5
149.09586	20.5
149.13234	23.1
151.11157	65.9
153.09111	2.1
158.10854	3.2
163.14777	11.0
165.12726	100.0
166.13029	2.7
173.13208	16.6
177.05443	1.8
186.17163	1.5
191.14281	38.8
209.13336	2.3
209.15332	46.4
210.15723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	3.1
55.01862	4.0
55.05505	46.9
57.03430	3.1
57.07051	3.0
59.04992	3.4
67.05493	11.1
67.46454	1.4
69.03419	5.2
69.07057	10.3
71.04983	6.9
79.05484	13.0
80.73128	1.4
81.07043	19.5
83.04968	52.1
83.08608	20.5
85.06535	3.4
91.05472	12.0
93.07029	35.2
95.04957	51.5
95.08611	9.9
97.06514	16.2
97.10157	5.6
99.04430	8.4
99.08056	2.7
105.07010	7.9
107.08579	41.6
109.05733	2.9
109.06503	55.4
109.10143	21.3
111.08108	7.9
119.08553	4.7
121.06467	4.3
121.10126	100.0
122.10435	1.5
123.08044	5.7
123.11665	7.8
125.05948	1.6
125.08793	1.8
125.09571	8.4
128.81894	1.4
131.08578	6.7
133.10120	14.8
135.08031	5.4
135.11665	5.9
142.41417	1.7
145.10075	2.5
147.11671	2.4
149.05977	2.9
149.09628	4.9
149.13242	5.4
151.11150	19.2
153.09087	21.7
163.14798	15.8
166.76741	1.8
167.14296	32.4
173.13275	7.8
177.05458	1.5
182.19664	1.8
191.14264	14.0
209.15321	36.9
221.71567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02377	0.6
53.03943	1.5
55.01855	2.3
55.05502	4.3
57.03429	1.1
57.07064	2.5
58.55138	0.5
59.04984	1.8
65.03928	2.1
67.05495	6.6
68.89124	0.6
69.03424	14.3
69.03799	0.8
69.06717	0.6
69.07066	7.1
70.35239	0.5
71.04979	3.0
73.41103	0.6
75.04461	1.9
77.03944	0.5
78.04690	0.9
79.05484	6.3
81.02958	0.8
81.03410	10.0
81.07054	11.6
83.04973	5.7
83.08605	1.6
83.99761	0.5
85.02882	1.2
85.06573	0.6
86.30511	0.5
88.30213	0.5
89.03928	0.7
91.05466	10.0
93.03399	4.1
93.07030	9.2
94.04147	0.6
94.11793	0.5
95.04965	14.8
95.08594	12.1
97.06535	4.4
99.04445	1.3
99.08088	2.3
103.05466	3.0
105.04517	1.5
105.07023	7.7
106.04159	9.1
106.04829	0.9
107.04942	1.7
107.08582	17.0
108.08924	0.7
109.02897	0.6
109.06506	16.9
109.10159	4.1
111.04416	1.1
111.08062	1.9
113.09560	0.7
117.03384	0.9
117.06998	1.4
119.06028	0.5
119.08575	6.8
121.06488	11.6
121.10136	17.4
122.06010	1.5
122.06831	0.6
123.04421	0.8
123.08059	14.0
123.11684	7.8
125.06011	3.4
125.09621	1.6
131.04903	1.1
131.08516	2.6
133.02885	0.9
133.07541	0.5
133.10127	5.1
134.03612	1.5
135.03177	1.8
135.04366	1.0
135.08032	5.0
135.11693	1.9
136.03925	6.6
136.08870	0.6
137.05963	1.6
137.09599	5.1
137.13217	2.5
139.07535	1.1
139.11131	0.6
143.08563	0.6
145.02843	0.9
145.10132	1.4
146.02313	0.6
147.11674	4.8
148.05156	1.3
149.04846	0.3
149.05969	11.8
149.09607	14.2
149.10793	0.9
149.13237	8.2
150.05463	1.0
151.03813	0.7
151.07520	0.9
151.11159	7.6
153.04283	0.9
153.05487	2.6
153.06888	0.6
153.09088	3.3
158.10947	0.8
162.06351	0.7
163.06558	1.6
163.11165	1.4
163.14832	1.8
165.12737	100.0
166.13109	1.5
167.07083	0.5
167.10745	0.8
167.14299	1.4
173.13232	3.0
177.05411	5.5
178.04961	8.1
181.04944	1.2
181.08580	2.2
190.33673	0.6
191.06950	1.0
191.14262	6.1
193.96175	0.6
194.05785	0.7
209.04401	3.5
209.06262	0.8
209.07880	3.4
209.11629	1.5
209.15349	43.0
210.07578	6.0
210.15594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.37231	1.2
55.05507	29.7
57.03410	1.5
57.07060	6.1
59.04992	3.6
60.74374	1.3
65.72873	1.2
67.05505	12.5
67.62870	1.4
68.99769	2.0
69.03424	30.2
69.07063	14.6
69.27840	5.4
69.28250	3.1
71.04974	4.8
79.05498	7.9
80.58270	1.5
81.07052	16.7
83.04523	2.0
83.04974	22.8
83.08601	8.0
85.06548	9.1
91.05465	6.5
93.07040	19.0
95.04967	6.5
95.08601	18.1
96.08923	1.5
97.06528	4.1
97.09589	1.8
97.10165	20.9
99.04442	2.1
99.08072	12.2
105.07018	8.2
107.08588	43.1
109.06514	11.2
109.10166	12.9
111.04379	2.0
111.08054	9.2
113.05984	10.7
119.08562	4.3
121.06463	3.7
121.10141	29.2
123.08045	5.4
123.11687	5.4
125.05981	5.9
125.09621	100.0
125.13289	2.6
127.07526	1.9
127.85676	1.2
131.08557	5.2
133.10150	9.5
135.08026	12.6
135.11650	5.1
137.09589	5.0
139.07524	5.8
139.11189	4.7
145.10101	1.5
147.11681	4.8
149.09607	57.2
149.13252	15.3
151.11163	42.1
152.11493	1.3
153.09087	22.6
154.09889	1.7
158.10933	3.1
163.14848	14.6
167.10725	1.5
167.14313	4.7
171.11830	1.3
173.13231	11.4
181.15904	2.0
191.14285	29.2
192.57335	1.6
209.15349	60.7
210.15706	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01881	4.2
55.05507	52.6
57.07060	3.5
59.04994	3.6
67.05494	17.7
69.03425	17.5
69.07062	23.8
69.70721	9.6
71.04982	9.9
79.05486	21.2
81.07049	31.5
83.01324	4.6
83.04968	81.6
83.08591	21.1
85.06539	8.3
85.18548	2.5
91.05468	16.6
93.07021	31.9
95.04969	18.9
95.08595	35.4
97.06525	20.2
97.10174	8.1
99.04459	4.8
99.08066	4.9
105.07030	19.9
107.04981	3.5
107.08579	64.0
107.09250	4.9
109.06503	36.7
109.10147	33.3
111.08062	12.1
113.05981	4.5
119.08573	10.8
121.06500	10.7
121.10131	39.7
123.08073	12.7
123.11719	12.4
125.09612	20.5
131.08559	17.0
133.10123	38.1
135.08040	14.2
135.11684	19.2
137.09586	2.9
139.07524	3.4
139.11217	3.4
145.10118	10.0
147.11713	13.3
149.09647	16.9
149.13237	20.5
151.11163	100.0
153.09076	13.6
158.10915	5.8
163.11218	6.0
163.14757	13.9
165.12727	3.2
167.10655	5.8
167.14296	34.1
171.79642	2.5
173.13268	20.2
191.14281	54.2
209.11768	6.7
209.15344	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03921	4.0
53.19068	1.7
55.01858	4.1
55.05503	21.0
57.03419	7.3
57.07048	5.7
59.04988	5.8
59.66034	1.8
60.12312	2.0
67.05499	15.4
68.99767	3.9
69.03418	10.2
69.06738	2.6
69.07060	22.2
69.49792	4.5
69.50186	3.1
69.98381	2.0
71.04976	6.3
79.05484	15.2
81.03419	2.6
81.07043	32.2
83.01337	21.1
83.04971	24.7
83.08617	13.7
85.06535	13.0
91.05470	15.3
93.07028	40.9
95.04942	13.1
95.08589	29.7
97.06520	20.4
99.04459	4.3
99.08083	28.0
101.05965	3.8
105.07025	21.3
107.04936	7.2
107.08581	60.3
109.06514	15.9
109.10154	25.9
111.04424	3.8
111.08072	17.6
119.08586	11.3
121.06498	17.4
121.10131	51.6
123.08057	22.7
123.11678	8.5
125.05981	6.9
125.09637	18.9
125.13216	2.4
131.08546	16.3
133.10112	27.6
135.08035	22.7
135.11656	7.7
137.09605	11.5
139.07529	17.4
139.11153	8.4
143.08554	3.6
145.10115	5.8
147.11639	8.2
149.09598	100.0
149.13235	28.0
151.11169	46.4
153.09102	15.9
154.09865	3.1
158.10916	3.0
163.11108	4.6
163.14783	16.1
165.12735	3.0
167.14250	3.5
173.13231	21.7
181.15907	3.9
191.14296	33.8
209.15341	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	2.4
55.01853	6.2
55.05257	2.5
55.05508	36.4
57.03419	5.2
57.07056	7.0
59.04980	7.1
65.17039	2.0
67.05495	20.3
69.03433	14.4
69.06712	2.2
69.07061	32.3
70.51218	5.1
71.01336	8.3
71.04991	11.7
79.05489	18.4
81.07047	32.9
83.01328	7.2
83.04978	33.9
83.08614	18.0
85.02888	2.3
85.06541	9.1
91.05470	23.4
93.07037	49.4
95.04961	26.4
95.08605	43.9
97.06532	16.5
97.10178	6.2
99.04458	9.9
99.08095	6.3
105.07024	26.6
106.04160	4.2
107.04932	2.8
107.08587	78.5
109.06506	23.3
109.10143	36.0
111.08047	10.7
113.09651	2.9
117.07033	2.7
119.08572	16.8
121.06509	13.8
121.10136	56.5
123.08069	22.9
123.11692	13.7
125.05999	2.1
125.09618	13.0
127.07542	5.1
129.06915	2.5
130.30461	2.3
131.08546	23.6
133.10112	78.8
135.08047	19.6
135.11688	23.1
137.05917	2.7
137.09605	32.0
137.13234	5.2
139.07512	7.9
139.11188	8.1
143.08502	3.9
145.10135	11.9
147.08067	3.1
147.11674	19.5
149.02234	2.7
149.05978	8.2
149.09613	63.9
149.10808	3.4
149.13245	44.6
151.11159	47.4
151.12271	4.1
153.09094	17.7
154.09874	2.4
158.10880	9.9
161.09558	3.5
161.13298	2.8
163.11182	7.3
163.14793	24.1
165.12746	11.1
167.10672	3.2
167.14372	17.5
173.13263	60.4
176.11929	3.2
177.05548	3.0
191.14299	87.5
204.81007	2.3
209.04495	6.3
209.08037	2.2
209.12000	4.5
209.15364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.8
53.29122	0.7
55.01868	1.4
55.05500	8.1
57.03423	2.3
57.07064	2.9
59.04988	2.7
65.03915	2.2
67.05499	10.5
69.03419	12.3
69.07060	14.8
69.19817	2.9
69.20226	1.7
71.04984	9.9
77.03923	1.6
79.05476	7.9
81.03416	1.1
81.07046	16.1
83.04966	13.8
83.08604	5.4
85.06534	1.2
91.05462	9.5
93.03387	1.2
93.07026	13.3
95.04965	7.7
95.08594	33.2
97.06525	8.7
99.04472	1.6
99.08076	4.9
103.05443	1.7
105.07007	10.2
106.04156	3.1
107.04940	1.9
107.08579	41.4
109.06507	10.6
109.10136	17.3
111.08053	5.1
113.09626	2.9
117.07008	1.4
119.08566	7.2
121.06500	11.0
121.10132	39.2
123.08052	8.3
123.11706	4.3
125.06015	1.6
125.09624	11.1
127.07589	0.9
131.08566	8.4
133.07590	1.2
133.10107	19.4
135.08023	19.0
135.11667	10.5
136.08778	0.8
137.09616	3.5
139.07535	1.4
139.11165	5.7
143.08565	2.2
145.10103	3.7
147.11678	9.6
149.05975	3.6
149.09598	16.7
149.13229	19.7
151.11159	100.0
152.11505	1.8
153.09070	3.1
158.10898	3.3
161.09581	1.2
163.11261	1.2
163.14781	11.8
165.12706	6.3
167.10652	1.1
173.13229	19.5
177.05499	2.0
187.80881	0.8
191.14272	46.9
195.79935	0.8
209.07985	1.0
209.15331	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.04480	0.3
53.03934	1.3
54.13747	0.4
55.01864	0.8
55.05503	2.3
57.03426	0.5
57.07061	1.9
59.04986	1.6
67.05497	5.1
69.03420	12.0
69.07055	5.8
71.04982	1.2
71.44207	0.4
73.06544	0.3
79.05480	3.6
81.03409	10.1
81.07046	9.8
83.04961	3.7
83.08611	1.1
85.02876	0.5
85.06539	0.4
87.38267	0.4
87.66678	0.4
91.05457	3.7
93.03371	0.6
93.07032	5.9
95.04958	7.8
95.08592	11.2
97.06518	1.4
99.08078	1.4
103.05479	0.5
105.07008	4.9
106.04152	1.2
107.04898	0.5
107.08582	10.3
109.06506	12.4
109.10144	2.6
110.07297	0.5
111.08058	0.8
117.07018	0.6
119.08564	5.8
121.06465	2.5
121.10130	15.4
122.07292	0.5
123.08054	11.6
123.11691	8.1
125.06042	0.6
125.09605	0.7
131.08545	1.3
133.07639	0.5
133.10104	1.3
135.08014	1.8
135.11681	1.6
137.09599	3.0
137.13226	2.6
142.33498	0.3
145.10097	1.0
147.11674	4.0
149.05925	1.4
149.09599	11.2
149.13235	7.4
151.07503	0.3
151.11160	5.9
153.09128	0.7
163.11160	0.7
163.14816	1.1
164.93275	0.4
165.12730	100.0
166.13086	1.6
173.13239	1.7
177.05392	0.4
180.20775	0.4
191.14275	2.5
209.04408	1.3
209.07208	0.7
209.09712	0.6
209.15340	35.7
210.15656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	2.6
55.01860	2.4
55.05506	10.1
57.03424	5.0
57.07062	4.7
59.04990	3.6
67.05490	15.4
69.03435	12.3
69.07060	14.0
69.25329	10.3
71.04977	9.2
79.05486	16.2
81.03387	9.2
81.07047	33.6
81.72850	1.9
82.97410	1.9
83.04980	10.0
83.08621	7.0
85.06528	3.5
89.48928	2.1
91.05472	10.2
93.07022	16.5
95.04953	23.2
95.08590	25.1
97.06513	32.2
99.04448	3.7
99.08122	3.1
104.42683	1.9
105.07017	17.3
106.04152	4.0
107.08579	39.1
109.06502	100.0
109.10142	29.9
111.08077	6.3
111.41021	1.9
111.62754	2.0
119.08546	11.1
121.06479	7.4
121.10118	41.9
123.08025	15.2
123.11700	11.4
125.05959	3.0
125.09578	5.6
131.08557	10.5
133.10112	29.1
135.08055	15.5
135.11674	6.9
137.09590	5.0
137.13255	1.9
139.11150	2.2
142.21964	2.0
145.10103	4.8
147.11682	7.4
149.05962	5.6
149.09616	20.8
149.13237	18.6
151.11147	19.8
153.09100	22.7
163.06593	5.0
163.14790	11.1
165.12733	86.9
167.14297	2.9
173.13274	17.4
181.06508	2.4
191.14256	30.9
209.06068	1.8
209.15344	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0758
Annotation	Penidilamine
Peak:m/z	Relative Intensity
51.98970	0.5
53.03932	0.6
54.41700	0.5
55.01872	0.6
55.05492	1.1
57.03423	1.7
65.03948	0.6
67.05522	0.8
68.01358	0.9
69.11958	3.6
75.04474	13.0
77.03913	0.8
79.05473	1.6
80.04983	0.6
81.03406	2.4
81.07046	0.7
83.04995	0.7
91.05465	0.9
92.05823	0.8
93.03412	0.7
93.07021	1.3
94.06531	1.6
95.04949	8.2
95.08610	0.7
96.05291	0.8
97.06490	0.6
98.23563	0.9
98.24441	0.5
105.03381	0.6
107.03684	1.0
107.04949	1.8
108.02048	0.6
108.04462	6.1
109.06507	1.7
109.10146	0.6
110.06845	1.0
114.49599	0.6
119.08557	0.9
121.02870	3.3
122.06020	17.5
122.06792	1.0
123.04418	0.6
123.06802	1.0
123.07990	0.6
132.04428	3.2
133.02803	1.2
133.05284	0.6
135.03134	20.5
135.08049	0.6
136.03918	85.6
137.04265	1.0
137.09537	0.7
146.02357	7.9
149.04738	4.8
149.05829	1.0
150.05463	18.8
150.06560	1.3
151.03917	1.0
153.04169	10.3
163.02626	1.6
165.12656	0.8
166.13135	0.9
167.05801	3.2
167.06999	1.0
178.04964	100.0
178.48457	0.6
179.05321	1.6
179.06903	0.6
182.03604	0.6
182.08104	3.8
182.15457	0.7
192.06616	0.8
195.05237	0.7
201.50111	0.6
210.07582	65.6
210.15366	1.2
211.07910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
63.03983	2.0
67.05485	3.9
69.07077	2.9
69.46099	6.2
70.06547	1.9
71.04977	7.4
79.05473	3.3
80.05824	2.4
81.07036	5.7
83.04947	2.0
91.05466	4.0
93.07013	6.2
94.07356	3.8
95.04956	4.3
95.08595	5.8
96.08923	4.0
97.06515	3.3
98.23486	3.0
105.06991	4.2
107.08573	7.6
108.08930	6.2
109.06491	7.5
109.10136	6.3
110.06818	7.0
111.08080	1.9
121.10127	5.0
122.10475	6.3
123.04391	3.3
123.08018	2.7
123.11694	2.4
133.10080	2.4
134.10431	6.5
135.08047	2.4
135.11667	3.0
136.08351	5.2
149.09627	2.5
150.08878	13.5
150.09946	4.5
150.13562	2.2
154.09387	3.9
164.15195	3.9
174.13641	6.5
175.14850	1.8
179.06946	3.0
192.10147	2.9
192.14647	11.2
208.98833	1.8
210.10988	100.0
210.15544	6.0
226.02777	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	210.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67333	78.7
69.67696	26.1
70.39198	17.8
79.21983	17.4
94.93041	24.0
106.62535	23.2
112.89577	42.8
118.51635	22.2
120.94553	37.1
142.03479	24.5
164.93427	27.0
168.92151	19.9
173.43800	19.9
175.51828	18.0
193.94420	20.3
210.94058	100.0
210.96983	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	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
52.32623	0.9
53.03926	2.4
55.01858	4.0
55.05511	7.8
57.03436	5.2
63.02029	1.1
65.03936	1.9
66.56364	0.9
67.05497	10.7
68.99795	1.7
69.03411	4.5
69.07058	5.8
69.53258	4.7
71.04977	3.7
75.04475	1.3
77.03916	1.3
78.04700	1.1
79.05040	1.5
79.05492	20.4
81.03402	4.2
81.05627	1.0
81.07051	12.7
83.04965	4.0
83.08613	4.3
85.06532	1.3
90.04667	1.2
91.04943	1.3
91.05477	23.4
92.06220	1.4
93.07043	14.4
94.04179	1.3
95.04964	16.6
95.08601	14.5
97.02888	1.3
97.06503	1.4
99.08051	1.7
103.05461	11.7
104.06217	2.0
105.03427	2.2
105.04493	1.4
105.07024	33.5
105.07735	2.0
107.04939	8.3
107.08582	12.7
108.05722	2.5
109.02884	2.0
109.06516	5.2
109.10155	9.0
110.03619	2.0
111.04441	2.9
111.08046	1.8
115.05402	2.0
117.06946	1.1
118.04153	13.2
119.04937	15.3
119.05780	1.5
119.06107	1.2
119.08577	7.1
120.05717	3.1
121.06497	10.1
121.10137	3.6
122.03663	1.2
122.07261	3.9
123.04418	49.3
123.08059	7.4
123.11678	4.2
124.05193	1.7
125.06000	1.0
131.04938	2.2
131.08575	1.3
133.06485	28.4
133.07492	1.9
133.10109	8.9
134.03471	1.6
134.07210	3.0
134.48366	1.0
135.04378	5.8
135.08083	5.8
135.11691	16.8
137.05960	9.3
137.09578	2.2
146.03616	3.5
147.04407	7.2
147.11647	3.0
149.05969	12.0
149.13292	1.1
150.06758	17.0
151.03909	5.6
151.07533	35.8
151.11185	3.9
153.01459	1.1
153.05417	1.8
153.12717	1.7
161.05959	3.9
161.07132	2.5
163.14821	16.9
165.05486	1.2
165.09117	14.5
165.12688	1.4
167.07031	26.0
175.14734	5.3
178.06248	1.5
179.07016	100.0
180.07477	2.0
181.08574	5.2
181.15793	1.4
183.07999	1.2
193.08572	41.4
193.12213	2.1
193.15822	1.6
207.37192	1.2
211.09512	15.9
211.13048	2.1
211.15109	1.3
211.16833	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	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03940	1.4
53.51622	0.7
55.01859	3.6
55.05501	5.0
57.03428	1.8
57.07057	2.4
59.04998	0.8
65.03938	4.1
67.05498	10.6
68.99777	1.7
69.03413	2.2
69.07069	5.9
69.10902	4.7
71.04977	3.0
71.08612	0.8
78.04688	1.0
79.05488	14.7
81.03401	2.2
81.07051	10.0
83.04979	3.9
83.08606	2.5
85.02879	1.7
85.06533	2.1
90.04698	1.5
91.05474	17.0
92.06253	1.0
93.03386	0.8
93.07047	6.9
95.04964	15.0
95.08593	11.8
97.06528	2.5
97.10143	1.1
98.22672	1.2
99.08102	2.0
103.05457	9.8
104.06255	1.5
105.03412	1.1
105.04561	1.6
105.07025	27.3
105.07732	1.6
107.04961	6.4
107.08582	7.7
108.05701	3.1
109.02861	1.2
109.06506	6.0
109.10146	12.6
110.03629	2.7
111.04443	1.5
111.08045	1.9
115.05450	2.3
117.07004	1.3
118.04146	8.5
119.04934	10.7
119.08582	6.8
120.05682	1.5
121.02888	1.9
121.06506	4.9
121.10117	2.7
122.03603	1.0
122.07253	2.1
123.04419	51.0
123.08049	7.6
123.11680	2.9
124.05205	1.6
125.09594	0.9
129.06981	0.8
131.04865	1.1
131.08510	1.0
132.05679	1.2
133.02895	0.7
133.06476	15.7
133.10129	6.9
134.07217	1.5
135.04420	4.2
135.08034	2.2
135.11690	8.1
135.67906	0.8
136.05159	1.0
136.12146	0.8
137.05978	6.3
137.09595	3.1
146.03589	2.2
147.04410	6.6
147.11662	2.7
148.05154	0.9
149.05963	7.0
149.13257	1.5
150.06750	10.7
151.03958	3.7
151.07527	34.2
151.11256	3.5
151.14799	1.5
152.07045	1.4
155.04897	2.6
155.07018	1.3
161.00789	0.7
161.05934	1.7
161.07091	1.9
163.14758	1.0
164.01312	0.8
164.04655	0.8
165.06880	1.0
165.09106	10.2
166.12245	1.2
167.07014	11.9
171.35825	0.7
175.14816	3.9
179.07010	100.0
180.07454	2.2
181.08571	0.8
183.04359	1.2
193.08580	24.7
193.12157	1.5
193.15880	3.3
211.03908	2.3
211.07681	1.3
211.09496	12.7
211.13028	1.6
211.16876	2.1
226.33202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.07159	0.5
55.05500	0.9
57.03429	100.0
58.03754	0.6
67.05505	1.7
69.07069	0.9
71.44864	0.8
79.05500	1.8
81.07046	2.5
91.05490	2.3
93.07046	1.5
95.04964	2.3
95.08610	2.1
99.08070	0.8
105.07030	2.6
107.04960	0.7
107.08591	1.6
109.10151	1.3
119.04932	1.7
119.08601	1.4
121.06483	0.7
123.04410	5.1
123.11705	0.8
125.09643	0.7
133.06509	1.4
133.10144	1.5
135.07947	0.7
135.11726	1.8
137.05986	1.3
137.09660	0.8
140.04677	2.6
149.05984	1.3
150.06841	0.7
151.03917	2.1
151.07549	3.2
151.08665	0.8
155.07037	2.4
165.05499	1.4
165.06833	0.9
165.09084	0.9
167.07086	1.4
169.05070	0.7
179.06996	9.2
189.41968	0.6
193.05083	0.6
193.08583	1.4
211.07767	1.1
211.09639	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	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03941	3.5
54.45345	1.1
55.01864	5.2
55.05502	39.2
57.03431	8.5
57.07049	1.0
59.04986	1.8
65.03922	1.6
67.05493	33.5
69.03420	9.4
69.07050	10.1
69.32247	1.0
70.21198	2.5
71.04974	5.3
73.02937	1.3
79.05480	32.2
81.03404	100.0
81.07040	38.3
82.06561	1.2
83.04966	48.7
83.08604	33.2
85.02882	1.2
85.06521	3.5
91.05461	33.7
93.07025	16.0
95.04953	34.1
95.08591	13.9
97.02895	3.6
97.06528	4.8
97.10144	9.7
101.09645	1.6
101.33688	1.0
102.12830	1.8
103.05426	1.1
105.07011	25.7
107.04955	5.3
107.08562	8.4
109.06503	6.1
109.10153	3.9
111.04424	2.1
111.08054	10.8
114.17132	1.0
115.05367	1.6
117.06963	1.3
119.04913	1.3
119.08551	18.9
121.06507	2.5
121.10128	10.6
123.08063	2.9
123.11697	1.7
125.09602	2.1
129.06978	11.0
131.08537	12.0
133.06496	4.2
133.10115	10.4
137.09564	2.5
142.07764	3.7
145.10152	1.3
147.08025	2.0
147.11652	14.4
149.09610	6.5
157.10106	13.6
165.12689	3.6
175.11165	14.7
190.20087	1.0
193.12199	29.5
211.11090	2.1
211.13292	10.7
211.14435	1.8
211.15039	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03931	4.3
55.01861	6.3
55.05504	39.6
57.03426	6.8
57.07080	1.3
59.04990	1.7
62.02375	1.1
65.03953	1.3
67.05495	27.6
69.03420	10.2
69.07062	10.7
70.19234	0.9
70.56375	1.6
71.04981	6.8
77.03928	1.3
79.05037	1.9
79.05484	36.5
81.03404	100.0
81.07045	38.1
81.07413	0.7
82.03725	1.0
83.04967	47.7
83.08606	31.2
85.06525	3.4
87.04507	1.0
91.05470	33.9
93.07028	19.0
95.04953	33.8
95.08593	14.1
97.02869	3.3
97.06508	3.9
97.10149	6.9
99.08087	2.4
103.45627	1.0
105.04517	1.1
105.07012	25.5
107.04919	8.3
107.08565	8.2
109.06531	6.4
109.10130	4.2
111.04430	2.7
111.08075	11.2
113.05979	1.3
115.05459	1.1
117.06983	1.5
119.04889	1.4
119.08558	19.8
121.06481	1.3
121.10125	8.6
123.04414	5.8
123.08064	3.4
125.09638	2.1
129.06973	11.6
131.08545	11.3
133.06476	4.4
133.10112	12.8
135.11681	2.0
136.35201	0.9
137.09567	2.7
142.07773	3.1
145.10129	1.7
147.08014	3.0
147.11642	14.1
149.09596	7.1
151.07549	2.2
155.08501	1.4
157.10118	15.8
165.12750	3.2
167.07025	1.7
169.10165	1.4
175.11168	17.2
179.07030	10.2
181.10162	1.1
188.23740	1.2
193.12216	32.7
196.90237	1.0
211.11235	1.1
211.13142	11.9
211.14870	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03934	0.9
55.01862	2.5
55.05505	6.6
57.03430	1.5
57.07069	3.9
65.03926	1.0
67.05156	1.2
67.05498	17.9
69.03423	1.4
69.07060	24.1
70.50249	1.3
71.04987	10.8
79.05485	12.2
81.03398	1.2
81.07049	24.7
81.72562	0.7
83.04971	7.3
83.08608	1.7
85.02900	0.9
85.06537	8.7
91.05470	32.7
93.07037	25.4
95.04958	28.3
95.08594	7.5
97.06528	2.8
99.04440	1.5
99.08100	5.8
99.83262	0.8
103.05447	0.7
105.07018	32.8
106.07364	0.9
107.04958	1.4
107.08585	12.7
109.06508	25.6
109.10154	12.4
111.08106	1.3
113.05984	2.8
117.06987	0.6
119.04945	1.1
119.08572	9.6
121.10128	2.7
123.04417	1.9
123.08052	3.1
123.11707	5.3
125.05956	1.7
127.07550	2.7
129.06970	1.1
131.08562	8.7
133.02867	1.1
133.06468	2.6
133.10112	100.0
134.10420	1.8
137.05962	9.4
137.09590	7.5
141.05476	0.8
142.94716	0.7
147.07982	1.7
147.11673	20.7
148.11998	1.0
149.09593	2.7
151.07591	3.7
151.11162	60.5
152.11513	1.4
155.07021	15.2
155.08302	1.2
155.10606	3.2
157.10088	1.4
161.87749	0.7
165.09038	1.0
165.12737	5.8
167.07040	1.6
175.11159	10.1
175.14731	1.3
184.62733	0.7
193.12219	21.7
193.15860	1.8
203.55325	0.7
211.04932	1.0
211.07556	1.1
211.13245	15.1
211.16852	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.55108	1.7
53.03942	2.2
55.01861	5.8
55.05503	34.5
57.03420	7.0
57.07069	15.2
58.23939	1.9
59.04988	7.7
67.05498	49.7
69.03427	12.8
69.06699	3.6
69.07059	47.7
71.04982	18.0
71.08616	3.4
79.05485	16.0
81.03410	2.3
81.07050	65.0
83.04974	21.1
83.08600	15.8
85.02886	10.1
85.06529	14.9
87.59636	2.1
91.05457	14.7
93.07033	36.4
95.04955	10.8
95.08596	95.4
97.06531	8.5
97.10149	8.6
99.04463	3.1
99.08092	8.9
100.57931	1.7
105.04482	1.7
105.07016	26.8
107.08578	43.9
109.06509	25.4
109.10140	100.0
109.30609	1.6
111.08070	11.2
113.05999	4.9
113.09657	2.4
118.04159	1.7
119.08568	53.0
121.10114	19.7
123.04419	7.5
123.08051	22.5
123.11687	32.6
125.09605	7.8
126.41602	1.7
127.07600	3.5
133.06482	2.2
133.10106	30.8
135.11676	69.9
137.09599	27.0
139.11145	5.9
147.11691	5.3
149.13248	14.3
151.07495	4.8
151.11186	11.1
151.14806	15.6
153.12701	5.8
155.10623	7.1
165.09108	2.4
165.16388	3.9
167.07158	2.5
175.14806	35.2
179.07022	15.6
181.15840	2.2
193.08583	4.0
193.15836	26.0
211.13290	2.2
211.16893	24.6
233.35522	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.01887	1.6
55.05502	15.0
57.03438	1.5
57.07064	4.1
58.41693	1.3
59.04979	2.3
67.05494	28.1
69.03416	10.8
69.07058	14.4
70.34045	2.8
71.04974	4.2
71.08620	1.8
75.17452	1.2
79.05492	6.3
81.07047	26.1
83.04967	9.8
83.08614	8.0
85.06542	4.4
91.05467	5.8
93.07036	13.1
95.04963	4.2
95.08596	37.7
95.09211	2.0
97.06519	1.8
97.10154	3.5
99.08095	4.2
103.05489	1.8
105.07016	10.0
107.08580	31.9
109.06516	12.4
109.10138	100.0
110.10454	1.7
111.08064	3.1
119.04945	1.5
119.08553	25.8
121.10126	9.6
123.04415	6.2
123.08044	13.9
123.11668	9.1
125.09652	2.2
127.11178	1.7
133.06500	3.0
133.10118	19.4
135.11668	70.1
137.05928	1.5
137.09593	13.4
139.11156	1.8
147.11662	1.6
149.13231	6.8
150.06696	1.6
151.07513	4.7
151.11163	10.2
151.14803	11.4
152.15131	1.4
153.12730	3.8
155.81174	1.3
165.09074	1.7
165.16402	2.6
167.07050	5.2
175.14810	22.4
179.06987	11.8
192.42221	1.3
193.08583	3.6
193.15860	17.0
211.09572	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.52378	1.1
55.01854	2.6
55.05503	21.3
57.03428	7.7
57.07070	5.4
57.92054	1.0
60.55748	1.2
65.03938	1.1
67.05497	39.2
69.03410	5.4
69.05011	1.0
69.07061	18.2
71.04988	9.6
71.08609	2.6
71.87799	1.0
77.03902	1.5
79.05479	12.9
79.05896	1.7
81.03416	7.4
81.07049	38.5
83.04974	15.7
83.08613	14.9
83.35175	1.1
85.06533	8.7
91.05471	12.1
93.07037	22.2
95.04965	7.2
95.08591	61.0
97.06522	9.8
97.10139	4.8
99.08106	4.3
103.05464	1.8
105.07004	15.8
107.08582	28.8
109.06503	15.0
109.10142	100.0
110.07364	1.6
111.04385	1.2
111.08068	44.8
113.05975	2.8
113.09637	2.7
119.04942	1.2
119.06050	1.2
119.08563	48.0
121.06503	1.9
121.10125	28.1
122.07259	2.1
123.04427	3.5
123.08051	44.4
123.11683	19.6
125.09650	5.7
127.11174	3.5
129.07010	1.3
133.06516	2.3
133.10117	43.8
133.11154	2.1
135.08037	2.0
135.11676	52.7
137.05952	1.5
137.09595	93.5
137.13190	5.9
138.10376	8.7
139.11142	5.5
139.47385	1.1
140.99228	1.1
147.11694	9.5
149.05974	2.4
149.13248	15.9
151.07523	2.8
151.11156	7.3
151.14801	9.2
160.12459	1.6
163.11150	2.8
163.14781	1.3
165.12703	9.4
165.16406	3.3
167.06985	10.0
167.25626	1.2
169.06810	1.3
169.10086	2.0
175.14804	51.4
176.15108	1.7
178.13510	1.8
179.06998	6.2
189.54930	1.2
193.08488	1.9
193.12166	2.9
193.15866	29.7
211.07552	3.0
211.10924	4.0
211.16888	24.7
224.45369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.05505	10.6
57.03432	1.1
57.07050	0.9
59.04997	0.9
63.12821	0.6
67.05159	1.1
67.05497	17.9
67.05853	1.0
69.03425	4.5
69.07058	6.5
70.76637	0.9
70.76971	1.2
70.85958	0.8
71.04981	5.4
79.05475	4.4
81.03397	1.1
81.07053	9.4
83.04975	4.5
83.08602	2.3
85.06526	1.9
91.05486	6.0
93.07029	7.3
95.04958	100.0
95.08591	11.5
96.05275	0.7
97.02897	0.8
97.06535	1.1
97.10171	2.2
99.04440	3.4
99.08081	26.6
101.06025	1.1
105.07002	5.3
107.08595	4.7
109.06495	3.6
109.10146	25.4
110.10495	0.9
111.08078	1.3
113.05983	1.2
113.09641	1.3
116.20984	0.7
119.08559	7.3
121.06472	0.8
121.10125	2.4
123.04402	0.7
123.08068	2.2
123.11707	1.3
125.09597	1.9
127.07540	1.0
130.69273	0.8
133.10106	17.5
135.11720	4.5
137.06004	2.0
137.09602	42.5
147.11658	2.0
151.03922	1.1
151.07484	0.9
151.11163	3.3
151.14723	0.8
155.07056	1.2
155.10648	21.7
167.07045	2.1
168.05695	1.0
175.14760	3.6
193.05013	1.1
193.12206	1.8
193.15848	9.6
196.05211	1.5
211.04929	2.1
211.07518	2.3
211.10916	0.9
211.13258	2.3
211.16893	14.5
230.96951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03932	1.6
55.05502	13.7
57.03423	3.4
57.07054	4.2
59.04977	2.9
67.05497	30.3
69.03423	11.6
69.07063	20.0
69.51590	3.5
69.51985	1.7
71.04977	4.3
71.08620	1.4
77.85275	1.1
79.05482	9.0
81.03407	1.2
81.07044	29.7
83.04971	13.0
83.08595	8.1
85.06507	5.1
91.05441	6.4
93.07035	11.5
95.04953	5.5
95.08591	42.6
96.08907	1.2
97.06514	2.6
97.10144	3.0
98.22650	1.9
99.08058	5.2
105.07017	12.2
107.08575	26.9
109.06496	13.9
109.10139	100.0
110.10500	1.5
111.08039	4.4
113.09666	2.2
117.06995	1.3
119.07742	1.6
119.08566	27.5
121.10131	9.9
123.04401	3.1
123.07246	1.5
123.08053	13.9
123.11691	9.7
125.09627	2.5
127.11123	1.8
133.10109	26.5
135.11673	66.3
136.12082	1.7
137.09592	16.3
139.11122	2.2
145.59064	1.1
147.11639	2.1
149.13251	5.9
151.03859	5.8
151.07446	1.3
151.11185	11.9
151.12305	1.8
151.14764	12.6
152.48804	1.1
153.12708	3.0
155.08588	1.2
164.61588	1.1
165.05443	4.0
165.12706	1.2
165.16345	3.0
167.06976	7.1
168.05717	1.8
175.13364	2.2
175.14804	25.7
179.06903	1.1
183.93091	1.1
185.55977	1.1
193.05016	1.2
193.08543	1.8
193.15866	17.9
196.05103	1.9
205.98784	0.9
211.07436	3.2
211.16910	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	212.0916
Annotation	CJ 14877
Peak:m/z	Relative Intensity
53.03922	0.8
55.01854	2.3
56.96548	1.0
57.07056	1.0
58.02946	1.0
65.03934	6.8
67.05497	1.0
68.05009	2.7
69.07067	0.8
70.06580	1.5
75.04472	4.0
79.05483	11.4
80.04992	1.3
81.03380	1.4
81.05788	0.9
81.07041	1.5
84.95576	1.0
85.02839	0.9
91.05450	2.2
92.04994	6.7
93.03387	6.6
93.05768	0.8
95.04955	3.9
96.04447	1.1
97.02870	0.9
97.06519	0.9
98.06016	1.3
98.97536	1.0
105.03391	3.7
105.04529	1.2
106.02919	1.0
106.06535	18.0
107.04933	2.9
108.04467	1.9
109.05241	2.7
109.06494	6.6
109.25085	0.7
110.06026	3.1
111.04396	1.4
112.03974	1.6
115.05434	3.3
118.06579	1.0
119.03655	4.7
120.04458	12.8
121.02857	13.3
122.06009	2.0
123.04343	1.1
123.06769	2.5
124.05156	1.0
124.07581	6.0
125.04745	1.3
125.05997	1.1
126.05501	4.1
128.06213	12.3
128.07086	1.4
129.06979	20.9
130.02861	3.7
132.04512	0.7
133.02823	1.1
133.05231	1.1
134.03180	2.5
134.05995	72.0
135.04349	2.3
135.06735	2.8
136.03925	11.9
136.07568	3.6
137.04681	2.6
137.05975	1.7
138.05463	9.0
139.03847	1.0
139.05453	1.6
141.06938	5.7
143.04829	1.5
144.04375	0.8
145.06479	1.5
146.02367	1.0
147.03085	1.3
148.03847	6.6
150.05487	11.3
151.06267	9.1
152.04237	1.2
152.07039	30.5
153.05435	1.8
153.07794	2.4
155.06012	1.8
157.06465	18.3
162.05478	63.4
163.06180	2.3
163.71484	0.7
164.03409	20.7
166.04924	1.5
166.08618	28.3
169.06456	3.0
171.04266	1.1
176.04248	4.7
176.07066	2.0
177.07741	0.9
178.04994	6.9
179.05751	37.9
180.06525	19.0
181.06818	0.9
184.05138	1.8
185.05948	17.1
194.08099	100.0
195.08417	2.2
212.07115	3.7
212.09129	59.3
213.05414	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	213.0545
Annotation	4-Hydroxyxanthone
Peak:m/z	Relative Intensity
54.32992	0.5
56.96566	0.8
63.90233	0.6
68.99791	1.0
69.48382	2.4
70.06574	1.0
70.80551	0.5
74.06069	0.8
79.05479	0.5
81.07024	0.6
84.05626	1.0
86.09690	0.9
86.28967	0.5
86.87847	0.6
86.93785	0.5
93.07053	0.8
95.04908	0.5
98.22729	1.2
98.97560	0.7
103.05469	0.7
104.24478	0.6
107.04935	0.8
115.05444	13.2
116.98660	0.6
118.62982	0.5
121.07628	0.7
122.09663	0.8
125.05981	0.8
127.05410	1.3
128.00766	7.1
128.04793	0.8
128.06207	37.5
129.06990	73.0
130.07307	1.5
131.04900	1.5
135.04504	0.6
139.05412	4.7
141.06973	27.4
142.07379	0.8
143.04904	1.9
145.06477	4.6
148.97314	1.2
149.07059	0.7
151.03937	1.3
155.06015	5.9
156.05666	2.3
157.06467	86.4
158.06805	1.7
167.04890	4.1
168.05682	3.6
169.06467	15.0
171.04395	2.2
175.09834	0.7
184.05183	5.7
185.05956	53.8
186.06313	1.1
195.05592	1.1
203.06999	1.6
213.05424	100.0
213.07072	6.3
214.05814	3.2
223.04976	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	213.0545
Annotation	2-Hydroxyxanthone
Peak:m/z	Relative Intensity
68.99783	2.6
69.40546	3.4
70.06590	1.1
70.27113	0.7
91.05451	1.2
93.68045	0.7
115.05443	15.2
116.98558	0.8
127.05441	2.1
128.06207	59.7
129.06992	87.3
130.07318	1.8
131.04903	1.3
139.05400	5.0
141.06970	29.9
142.07317	0.9
143.04897	3.1
145.06493	6.9
155.04909	0.8
155.06013	10.8
156.05676	3.4
157.06470	94.2
158.06804	2.9
167.04936	3.8
168.05685	2.6
169.06474	17.0
171.04425	5.0
179.06027	1.0
184.05159	10.7
185.05952	94.1
186.06302	2.5
213.05438	100.0
214.05763	2.6
223.05013	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0544
Annotation	4-Hydroxyxanthone
Peak:m/z	Relative Intensity
55.01862	0.7
55.05510	0.5
67.05487	0.6
68.99783	1.4
69.07067	0.7
69.81702	0.5
70.06595	1.7
70.08833	0.4
71.43871	0.5
72.08153	0.5
79.05470	0.8
81.07062	1.0
86.09706	0.8
91.05453	3.1
93.07036	1.2
95.04999	0.4
95.08624	0.7
100.11224	1.0
103.05437	0.5
105.03381	0.5
105.07005	0.6
107.08568	1.2
108.69652	0.4
109.58632	0.4
115.05440	9.5
117.07045	0.6
121.06435	0.8
121.10123	2.6
121.41298	0.4
123.08076	1.4
125.06004	0.6
125.44836	0.4
127.05475	0.8
128.06200	27.2
129.06987	54.8
130.07320	1.1
131.04892	1.6
131.08588	0.5
135.07982	0.5
139.05424	3.1
141.06966	14.2
142.07410	0.5
142.12364	0.4
143.04881	2.7
143.05898	0.4
145.06454	2.9
149.09634	1.9
150.03299	0.4
151.03848	1.2
155.04910	0.5
155.06032	4.4
155.65442	0.4
156.05667	1.7
157.06465	50.1
158.06747	0.9
167.04880	3.0
168.05644	1.4
169.06416	7.0
169.07603	1.0
171.04388	1.6
177.09073	2.4
184.05185	4.1
185.05939	53.2
186.06261	1.2
195.04356	1.4
195.10118	0.5
213.05421	100.0
213.10063	2.8
214.05753	3.4
223.04958	1.1
223.10899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.0
55.05502	38.3
57.03436	7.2
57.07067	9.5
60.42175	3.2
67.05504	25.7
69.03426	6.5
69.07060	39.0
70.06577	28.0
71.04988	18.2
72.08146	25.0
73.02926	3.6
79.05478	27.6
81.07044	43.9
83.04973	7.7
83.08607	17.6
85.06519	7.7
86.09689	71.7
88.07626	8.0
91.05476	11.1
93.07016	34.7
95.04974	5.6
95.08607	37.1
97.02858	3.0
97.06527	29.6
97.10152	18.4
99.04452	4.6
99.08078	8.2
105.07014	14.1
107.04966	9.7
107.08581	37.2
109.06506	8.8
109.10136	19.7
110.10427	4.8
111.04392	4.1
111.08073	8.2
116.98593	3.3
119.01943	6.7
119.08556	5.5
121.10126	58.0
123.08031	5.5
123.11707	7.8
124.12031	4.3
125.09621	9.5
127.07473	3.2
128.06212	5.7
129.06982	9.4
131.06189	3.3
131.08540	4.9
133.10144	5.1
135.11671	22.1
137.13213	7.8
139.11154	17.1
141.06943	3.3
141.79546	3.0
143.08572	6.2
149.09589	9.0
149.13307	7.2
153.05424	4.2
157.06477	10.0
160.77802	3.4
165.16370	4.5
167.05885	4.1
167.07068	10.2
167.12579	11.8
171.11729	3.7
177.16379	35.9
185.07159	31.9
185.13220	5.4
185.16382	6.2
195.08107	3.5
195.10182	5.0
195.13785	7.6
195.17435	13.3
213.05330	7.7
213.07341	100.0
213.09100	5.2
213.12541	13.5
213.14818	16.0
213.16547	7.4
213.18410	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	213.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50274	0.7
55.01857	1.7
56.96564	0.9
61.02921	10.0
65.03929	8.8
67.05490	3.2
69.10909	3.1
69.11313	1.9
70.06587	1.0
72.08141	1.1
77.03918	2.3
79.05488	19.6
81.07043	0.9
86.09683	1.1
89.03899	2.4
89.57355	0.8
91.05472	4.1
93.03403	9.6
94.04138	1.1
95.04951	5.9
96.00794	0.7
98.59357	0.8
98.97559	2.8
105.03404	1.8
105.04495	2.8
107.04945	30.7
108.02100	2.7
108.07129	0.7
109.02889	1.0
109.06522	1.5
110.03651	27.4
111.04443	11.8
115.05451	2.9
116.98624	2.0
117.03338	2.1
119.04922	0.9
121.05695	1.2
121.06511	10.6
122.03637	6.7
123.04414	1.2
125.05981	65.7
128.06232	2.8
129.06987	10.7
133.02837	15.2
134.03648	1.3
135.04407	29.5
137.05978	5.1
141.05493	5.2
141.06946	4.4
148.97366	1.0
149.05966	22.2
150.03110	12.5
150.06311	1.0
151.03902	100.0
151.05008	13.1
152.04231	1.4
153.05452	13.1
155.51407	0.9
157.06474	11.6
162.03090	1.6
163.03868	7.8
165.05466	42.3
167.07036	17.8
169.06375	1.3
177.05446	18.7
177.07001	1.5
185.05952	6.3
195.06488	12.7
213.05452	20.0
213.07556	6.7
213.12170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0756
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.83110	0.7
54.57718	0.8
55.01874	2.0
56.96560	1.9
61.02915	9.4
65.03932	8.2
67.05488	2.3
68.09382	0.9
70.03079	1.9
70.03412	1.5
70.06579	2.2
72.08147	2.8
77.03909	2.5
79.05480	22.5
81.07036	1.3
85.06541	0.9
86.09678	1.9
88.07607	1.1
91.05455	4.1
93.03387	9.0
94.04195	1.1
95.04974	7.0
98.97574	2.4
105.03381	2.1
105.04507	2.6
105.07015	0.9
107.04935	29.2
107.33801	0.8
108.02068	2.7
108.05220	0.8
109.06504	1.4
110.03639	27.4
111.04441	14.0
112.64702	0.8
115.05459	3.1
116.98583	2.8
117.03350	1.5
119.04929	1.1
119.46400	0.8
121.06482	11.9
122.03620	8.9
123.04381	1.0
125.05969	62.2
128.06186	8.0
129.06982	25.9
131.05026	0.9
133.02840	14.0
134.99725	1.5
135.04387	29.9
137.05922	5.3
139.05405	1.6
141.05432	5.0
141.06952	8.9
145.06410	1.3
149.05951	22.7
150.03091	13.0
151.03888	100.0
151.05005	13.8
152.04272	1.8
153.05428	13.1
155.06058	1.5
157.06458	25.7
162.03122	2.1
163.03862	7.7
165.05450	41.2
167.07013	14.7
169.06465	5.5
177.05441	19.8
184.05136	1.4
185.05927	16.5
195.06490	13.1
213.05461	39.3
213.07520	6.1
223.04950	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.4
53.03928	0.6
55.01865	0.6
65.03913	0.4
67.05491	0.5
68.99783	0.4
69.07005	0.3
70.06577	0.6
71.44958	0.4
77.03917	1.0
78.04698	2.7
79.05476	8.5
81.07038	1.0
91.05460	4.2
93.07027	1.0
94.04179	0.4
95.04952	3.4
97.06519	0.4
102.04665	0.3
103.05447	8.3
105.03407	0.4
105.04478	0.7
105.07004	6.1
106.04147	1.3
107.04932	56.8
107.08564	1.6
107.54298	0.3
108.05267	1.0
109.06494	0.6
110.03635	0.8
114.83089	0.3
115.05426	5.8
116.98538	0.5
117.06983	1.6
119.04929	0.6
120.05704	1.9
121.06471	1.2
122.03629	0.7
123.04410	6.8
124.05186	3.5
125.05981	2.1
128.06195	3.1
129.06981	8.0
131.04890	2.5
133.06451	0.8
134.03560	0.7
135.04396	0.8
135.08018	14.8
135.49390	0.3
137.05960	1.2
139.03842	0.7
141.06950	1.9
143.04880	0.5
145.02814	0.4
145.06464	1.3
145.07600	2.1
147.04388	1.1
148.05226	0.4
149.05910	1.0
149.09636	0.5
151.03885	2.5
152.04671	2.3
153.05443	0.5
154.06194	2.9
155.06017	0.7
156.10141	0.7
157.06464	7.5
163.07507	27.1
164.07948	0.5
165.05453	0.9
167.07001	100.0
168.07327	1.4
169.06366	0.5
171.04446	0.3
177.08905	0.7
180.07768	3.3
181.04842	0.3
185.05948	3.0
185.07631	0.5
195.10132	13.9
213.05373	3.1
213.11096	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	213.1119
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
55.01850	0.9
55.05502	0.5
56.68945	0.4
65.03944	0.6
70.06567	0.5
70.55326	0.7
71.77295	0.4
77.03931	1.1
78.04696	2.3
79.05490	7.5
81.07044	1.3
88.07611	0.5
91.05466	4.3
93.07026	0.4
95.04961	3.1
96.05772	0.6
97.06510	0.4
103.05454	7.5
103.06102	0.7
105.03366	0.6
105.04472	0.7
105.07022	4.7
106.04158	1.8
107.04940	54.6
107.08570	0.6
108.05229	0.7
109.06477	0.4
111.04411	0.6
115.05437	4.6
117.07000	1.6
117.27670	0.4
119.04905	0.4
120.05708	2.7
121.06493	1.1
122.03614	0.7
123.04401	6.1
124.05212	3.1
125.05959	0.8
128.06184	2.0
129.06987	4.0
131.04904	2.2
133.06506	0.6
134.03656	0.9
135.07033	0.9
135.08034	15.0
135.09064	0.7
137.05954	1.6
139.03864	0.7
141.06924	1.0
145.06551	0.5
145.07582	1.2
147.04410	1.2
149.06003	0.7
149.09564	0.5
151.03848	2.1
152.04666	1.7
153.05463	0.7
154.05057	0.4
154.06232	2.4
156.10167	0.6
157.06464	3.4
163.07521	26.4
165.05472	1.1
167.07013	100.0
168.07362	1.8
180.07765	3.1
181.08531	0.4
183.58415	0.4
185.05959	1.3
195.10136	13.0
213.05316	2.0
213.09306	0.5
213.11043	2.1
218.72192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03934	1.5
55.01852	2.6
55.05508	19.9
57.03431	8.8
57.07073	3.5
65.03934	3.0
67.05496	76.2
69.03415	1.3
69.07059	25.8
69.84278	4.0
71.04974	6.1
79.05037	2.6
79.05482	38.2
81.03408	2.5
81.07048	100.0
83.04975	8.4
83.08615	18.5
84.81963	1.2
85.06518	4.4
88.07608	2.3
91.04939	1.9
91.05468	24.5
92.05807	1.3
93.07034	58.6
95.04959	7.4
95.08595	27.7
96.35806	1.2
97.06521	14.3
97.10161	1.9
98.23442	1.2
98.97559	1.5
99.08109	2.6
105.04485	1.3
105.07013	10.4
107.08582	31.9
109.06487	1.5
109.10167	3.2
111.08041	8.5
113.09641	1.9
117.06999	15.2
119.08572	4.1
121.06448	2.0
121.10133	11.6
123.11677	5.1
129.06955	1.5
131.08557	14.0
133.10112	11.5
134.96739	1.2
135.08008	1.7
135.09056	1.7
135.11673	14.5
139.11195	1.3
143.08540	2.7
145.10115	7.0
147.11668	1.8
149.12091	2.5
149.13240	29.2
157.10120	3.7
159.11697	17.3
171.11691	5.3
177.12762	6.5
195.13750	7.8
213.08754	1.2
213.12679	2.4
213.14651	1.2
213.16342	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.88488	3.5
55.05510	23.8
57.03425	6.4
57.07063	4.8
58.56874	3.5
61.54139	3.7
62.60929	3.5
67.05498	60.6
69.07058	22.4
70.66052	5.4
71.04980	6.0
73.80135	3.7
77.20435	3.6
79.05475	31.6
81.07051	100.0
81.07501	7.5
83.04979	5.5
83.08623	24.8
85.06561	4.7
88.07625	20.5
90.96454	3.8
91.05474	22.6
93.07024	59.7
93.07517	5.3
95.04966	7.3
95.08598	23.2
97.06520	12.3
98.97559	9.7
102.44884	3.4
105.07022	9.2
107.08585	33.6
109.06500	5.4
109.10130	6.0
111.08091	4.8
116.98604	8.6
117.07015	8.2
121.10145	17.2
123.11704	8.4
131.08582	16.1
133.10109	10.8
135.11699	5.9
138.39023	3.8
149.07054	3.8
149.13249	32.2
157.10123	5.6
159.11685	17.9
171.11652	4.1
177.12749	5.8
195.13785	6.3
213.12364	12.4
213.16417	12.1
214.10870	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	213.1484
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03954	4.3
55.01870	22.3
55.05506	81.5
57.03423	5.9
59.04985	2.1
65.03941	1.7
67.05162	2.9
67.05499	47.9
69.03429	11.0
69.07059	31.3
70.06580	10.7
70.07391	1.9
70.80849	3.8
71.04984	64.5
72.08135	5.7
73.02913	2.1
79.05045	2.2
79.05486	38.8
81.03378	4.6
81.07047	58.7
83.04970	19.1
83.08614	50.7
85.06530	10.5
86.09708	12.9
87.04472	8.8
88.07604	2.0
91.05470	19.9
93.07038	47.8
95.04932	6.0
95.08594	30.0
97.02882	2.1
97.06519	100.0
97.10156	59.3
98.97562	2.1
99.04400	2.0
99.08067	5.0
101.05981	2.5
101.09619	2.1
105.07034	10.2
107.04922	6.1
107.08586	41.5
109.02861	2.2
109.06502	5.8
109.10142	18.6
111.08064	7.7
113.05991	2.6
116.98539	2.0
117.06981	5.8
119.08541	2.9
121.06467	4.4
121.10123	26.7
123.04440	2.2
123.08039	4.5
123.11683	6.4
125.05997	2.3
125.09610	33.5
128.06172	4.3
129.06938	6.0
131.08556	8.9
133.10123	8.6
134.99648	2.0
135.08060	8.7
135.11674	16.4
137.13223	2.7
138.27251	1.6
139.11148	5.0
141.05399	2.2
142.07780	1.8
143.08524	2.0
147.11612	5.2
149.09563	2.7
149.13226	13.1
151.11098	1.9
153.05458	3.3
153.09006	2.7
157.06436	6.2
157.10080	5.5
159.11684	8.1
165.12720	1.8
167.06990	5.4
167.08354	2.2
167.12599	4.8
167.14226	3.0
171.07957	1.8
171.11649	2.3
177.09091	3.6
177.12692	8.4
177.16376	12.6
185.07059	5.7
185.09706	1.9
189.11147	4.4
195.10143	3.5
195.13786	41.1
195.17432	2.8
213.07042	8.9
213.09010	3.2
213.12775	7.1
213.14792	77.9
213.16345	3.3
213.18265	2.8
214.15050	2.1
216.92017	1.6
217.36362	1.8
228.39957	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03922	1.9
55.01622	1.0
55.01867	18.0
55.05504	77.5
57.03417	0.8
57.07059	2.1
59.04985	2.4
60.49713	0.8
64.66683	0.8
67.05495	30.9
69.03421	8.2
69.06716	1.0
69.07059	14.9
71.04984	73.7
79.05051	1.7
79.05483	24.2
81.03390	1.4
81.07046	29.2
83.04983	5.7
83.08607	44.2
85.06541	6.2
87.04460	9.0
88.07607	1.0
91.05464	6.5
93.07032	21.0
95.04916	1.4
95.08590	11.2
97.06519	100.0
97.10154	63.6
98.06846	1.2
98.97563	1.2
99.08051	1.0
101.06002	1.7
101.09633	2.7
105.04517	0.9
105.07005	2.8
107.04926	1.5
107.08576	19.6
109.06473	2.7
109.10142	14.8
111.08069	3.6
113.05988	1.0
117.06953	4.5
119.08545	1.6
121.06491	2.0
121.10100	2.5
125.09613	40.5
128.06215	1.7
129.06969	1.3
131.08521	4.9
133.10081	3.8
135.08047	6.5
135.11668	7.1
137.45947	0.9
143.10582	1.1
147.11642	2.1
149.09547	2.3
149.13214	3.7
153.09111	1.8
157.10097	1.4
159.11684	3.5
171.10143	1.0
177.12717	7.6
185.07111	1.5
189.11177	6.5
195.13773	41.4
213.05414	3.0
213.14807	91.1
214.15239	1.6
216.04123	3.2
221.26266	0.9
231.06497	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	213.1483
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03912	3.6
55.01865	18.0
55.05502	79.4
57.03422	3.9
57.07053	4.1
59.04968	3.0
62.67729	1.5
67.05165	1.9
67.05499	31.9
69.03410	10.3
69.07064	28.0
70.06572	2.6
71.04980	69.2
73.02895	2.6
79.03953	1.4
79.05046	2.6
79.05473	31.3
81.03411	2.0
81.06562	2.1
81.07037	42.9
82.07402	1.9
83.04946	6.1
83.08128	2.7
83.08605	53.9
85.06532	9.6
86.09674	2.4
87.04456	10.4
88.07620	3.0
91.05454	11.9
93.07027	33.2
95.04985	2.9
95.08025	2.3
95.08588	31.8
97.06516	100.0
97.10152	68.0
98.22610	3.6
98.97491	1.9
99.08074	12.1
101.00997	1.5
101.02343	3.7
101.09603	3.8
105.06998	7.1
107.04939	4.4
107.08573	34.2
109.06473	4.1
109.09426	1.8
109.10133	18.6
111.08055	10.7
113.05983	1.6
113.09564	2.1
115.05442	3.3
116.98590	2.3
117.06977	6.5
119.08545	4.7
121.06478	4.1
121.10120	28.8
123.07995	2.2
123.11684	3.0
125.05955	2.7
125.09605	40.2
128.06174	3.1
129.06952	6.9
131.08502	6.4
133.10074	4.7
135.08035	9.0
135.11668	15.8
137.13191	2.9
139.07458	1.9
139.11127	2.6
142.07756	2.2
143.08496	3.5
147.11610	3.3
149.09615	3.2
149.13232	7.1
151.03877	2.8
152.07121	1.5
153.05389	2.8
153.09045	3.9
153.12738	2.1
155.07025	1.6
157.06432	6.5
157.10136	7.1
159.11627	5.4
167.07039	2.7
167.08391	2.3
171.07932	2.1
171.11594	3.6
177.08984	3.6
177.12723	8.6
177.16342	26.8
185.07193	8.9
185.09554	2.6
185.13179	1.9
189.11125	5.0
195.13760	44.4
195.17378	4.5
213.05348	6.6
213.09045	6.3
213.12637	7.5
213.14754	88.6
213.16341	3.7
231.06407	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	213.1483
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03931	3.1
54.37156	1.4
55.01865	19.3
55.05504	78.8
57.03417	2.1
57.07054	1.6
59.04974	2.2
67.05496	34.9
69.03410	7.7
69.07062	16.6
69.12777	2.1
69.13189	5.4
71.04984	66.1
73.64629	1.3
79.05051	1.3
79.05486	25.0
81.03402	1.9
81.07050	43.1
83.04963	7.8
83.08609	52.8
85.06528	10.1
85.10171	3.0
87.04467	10.0
88.07607	4.4
91.05457	8.0
93.07039	26.9
95.04955	3.3
95.08598	20.1
97.06521	90.7
97.10155	60.8
98.97555	3.4
101.09619	1.7
105.06998	4.2
107.04916	2.6
107.08572	26.3
109.06496	3.6
109.10134	14.1
111.08057	5.5
113.09626	2.9
116.98604	1.6
117.06989	5.0
119.08548	1.5
121.06512	2.6
121.10109	5.2
125.09615	40.5
131.08554	7.1
133.10085	4.7
134.99599	2.0
135.08029	7.2
135.11665	8.4
142.07768	2.1
147.11665	2.4
149.13255	9.2
153.09102	1.3
153.12677	1.3
155.38614	1.2
157.06424	1.3
157.10045	1.8
159.10274	1.9
159.11655	6.9
163.07489	3.8
165.12651	1.4
167.14342	1.7
177.10266	2.0
177.12712	10.5
185.06990	3.5
185.13181	1.5
189.11214	8.8
194.85527	1.3
195.13773	45.0
205.27205	1.2
213.06812	2.1
213.08989	2.5
213.14799	100.0
214.15143	2.9
216.04083	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03916	3.6
54.20779	1.4
55.01863	19.6
55.05503	74.7
57.03413	2.3
57.07043	4.8
59.04971	2.2
59.41386	1.4
67.05493	41.4
69.03421	10.4
69.07060	24.6
70.06567	2.6
70.07352	1.8
71.04983	69.8
72.08128	1.7
73.02898	1.9
79.05478	25.3
79.30223	1.3
81.03378	3.0
81.07046	48.1
83.04976	11.9
83.08606	47.3
85.02842	1.7
85.06534	10.6
86.06052	1.7
87.04455	9.9
88.07613	2.9
91.05449	11.4
93.07029	31.0
95.04930	3.4
95.08595	29.2
96.08955	2.7
97.06516	100.0
97.10157	60.9
98.97559	3.2
99.08060	2.7
101.02314	4.4
101.06030	1.7
101.09640	1.8
101.62107	1.4
105.07016	7.0
107.04924	3.5
107.08579	28.3
107.09282	1.1
109.06474	5.2
109.10137	23.4
111.08035	8.1
113.09627	1.6
115.05403	1.6
116.98569	1.3
117.07009	7.6
119.08528	3.2
121.06451	4.3
121.10112	9.7
123.08047	2.3
123.11678	3.0
125.09614	38.1
128.06178	4.6
129.06969	7.5
131.08540	9.0
133.10049	6.0
135.08044	9.5
135.11678	15.7
139.11157	1.7
141.06889	2.5
142.07703	3.8
143.08505	4.3
145.10072	1.4
149.09561	3.3
149.13252	9.1
153.09050	2.1
153.12723	2.8
157.06445	2.6
157.10112	8.6
159.11658	7.7
165.06808	1.8
167.07018	2.9
167.14238	4.4
171.07988	2.2
171.11597	4.7
173.63239	1.8
177.08868	1.7
177.12689	8.4
177.16414	2.3
180.09358	1.6
181.06372	1.9
185.05675	3.9
185.07242	8.1
185.13159	1.5
185.40343	1.7
189.11186	7.1
190.03897	1.5
195.07715	2.4
195.11848	2.2
195.13771	44.2
195.17436	1.9
213.05302	5.5
213.06761	3.3
213.09016	4.8
213.12645	8.9
213.14745	87.8
213.16373	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	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.58963	1.3
55.01854	4.5
55.05499	13.3
57.07064	4.4
59.77139	1.3
60.83384	1.3
65.03884	1.3
67.05502	6.9
69.03417	3.8
69.07056	20.7
70.06585	2.0
71.04982	5.0
79.05478	11.8
81.07046	22.7
83.04989	1.6
83.08602	11.8
85.06532	6.2
88.07596	1.5
91.05472	4.1
93.07037	19.3
95.04918	2.4
95.08598	41.2
97.06525	3.4
97.10160	9.3
98.22707	3.6
99.08085	22.0
101.06099	1.3
101.28787	1.4
105.07013	5.8
107.04971	4.2
107.08581	45.7
109.06460	2.2
109.10130	10.8
111.08068	19.8
113.09636	4.1
121.10129	68.8
123.04431	1.4
123.08080	1.7
123.11667	3.2
125.05984	1.6
125.09604	7.3
128.06229	1.9
129.07024	4.0
135.11684	14.5
137.13255	9.1
143.08546	1.4
149.09599	2.4
149.13275	4.5
151.03906	2.4
153.05481	2.6
153.12741	1.5
154.15895	1.4
157.06479	2.6
157.10092	3.8
167.07019	3.6
167.08429	1.6
171.08000	1.3
177.09038	2.6
177.16367	100.0
178.16740	2.8
195.07770	1.7
195.10118	2.7
195.11696	2.0
195.17410	12.0
213.05280	7.1
213.09129	3.7
213.12537	4.1
213.16559	1.6
213.18459	5.3
216.04230	2.9
231.06500	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	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01862	4.3
55.05502	15.5
55.86098	0.9
57.07062	2.7
67.05484	6.1
69.03417	3.0
69.07055	22.7
70.06573	1.2
70.63345	0.8
71.04982	5.8
72.08131	1.0
73.02995	0.9
79.05491	8.7
81.07046	24.0
81.07501	1.7
83.08611	13.7
85.06513	5.3
86.09713	1.4
88.07599	1.3
91.05468	2.8
93.07029	16.1
95.08596	41.5
97.06528	2.6
97.10146	10.8
97.16995	0.9
98.97589	1.4
99.08080	34.1
105.07009	4.9
107.08578	40.7
109.06488	0.9
109.10138	10.6
111.08068	15.8
111.11725	1.5
113.09613	4.8
116.98600	1.3
119.08604	1.1
121.10127	70.7
122.10459	0.9
123.08100	1.1
123.09100	0.9
123.11697	2.1
125.05947	1.1
125.09597	7.9
128.06195	1.1
129.06998	2.0
135.11670	15.1
137.13268	10.6
139.11166	1.8
147.25127	0.9
149.09718	1.1
149.13263	6.3
151.03918	1.1
153.05420	1.1
157.06523	1.6
157.10133	1.3
159.11630	0.9
167.07094	1.7
171.25201	0.9
177.16357	100.0
178.16791	2.7
185.07086	2.6
195.17418	14.4
213.05280	1.3
213.06885	1.3
213.09094	1.8
213.12624	2.2
213.14619	1.5
213.16496	2.1
213.18414	9.4
231.06427	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01863	7.9
55.05504	54.2
57.07064	10.2
59.04995	2.6
67.05495	51.7
69.03416	6.5
69.07059	98.8
69.28725	10.6
70.06579	2.8
71.04985	28.9
71.08612	3.1
73.06544	2.2
79.05480	20.0
79.55732	2.2
81.07043	82.8
83.04981	9.9
83.08608	25.8
85.06530	28.3
88.07602	4.8
91.05471	14.3
93.07028	44.3
95.04954	3.6
95.08591	100.0
97.06507	17.4
97.10146	23.9
97.56642	2.4
98.23425	4.6
99.08072	20.9
105.07018	10.1
107.04942	7.9
107.08576	57.4
109.06507	3.9
109.10139	69.8
111.08068	7.5
111.11720	9.1
113.09618	9.9
116.36884	2.5
116.98632	3.5
117.07011	2.6
119.08585	8.6
121.09266	4.6
121.10131	75.2
123.08060	4.1
123.11686	13.9
125.09635	11.8
128.06221	2.5
129.06998	7.2
131.08545	3.6
133.10114	9.9
133.11044	2.6
135.08090	3.5
135.11690	35.2
137.13229	30.4
139.11140	11.4
141.06943	3.6
142.07735	7.1
143.08549	4.9
145.10088	2.8
149.13240	7.8
153.06970	2.7
153.12694	15.2
155.08466	3.8
156.09373	2.3
157.06474	5.1
157.10138	10.3
159.11714	3.9
161.13254	6.5
165.06915	3.1
167.06992	4.7
171.11681	8.8
177.16359	56.8
180.02229	2.5
180.09407	3.3
185.07098	8.4
185.09558	3.4
185.13286	5.4
195.08131	3.1
195.11766	2.9
195.13725	5.9
195.17445	20.2
196.17072	3.4
213.06863	5.4
213.09077	8.9
213.12665	13.6
213.14732	6.3
213.16376	18.5
213.18506	9.0
214.18027	9.1
217.17754	2.5
231.06480	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	213.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01858	5.5
55.05509	17.6
58.41312	2.5
67.05492	10.6
69.03419	27.6
69.04581	2.4
69.07058	18.8
70.06577	4.4
71.04982	6.0
72.49044	2.5
75.03706	2.5
79.05484	17.6
81.03405	3.4
81.07043	26.7
83.04992	3.3
83.08607	14.9
85.06531	5.8
88.07610	5.9
91.05470	5.4
93.07037	19.0
94.53289	2.3
95.08586	51.2
96.13852	2.3
97.10147	10.0
98.97554	3.6
99.08083	24.2
105.07003	8.3
107.04942	17.6
107.08578	48.6
109.10137	11.2
111.04449	4.1
111.08064	20.3
113.09595	3.1
116.98657	3.8
119.08552	3.9
121.10123	68.3
123.11674	2.7
125.02359	3.5
125.05964	7.8
125.09592	11.6
127.03885	6.2
128.06242	9.0
129.06998	8.7
130.37349	2.4
135.04420	3.1
135.08115	3.9
135.09145	3.1
135.11688	18.3
137.13280	8.1
141.07001	5.2
142.04149	4.0
142.07735	7.7
143.08539	6.6
144.40408	2.3
149.05995	3.9
149.07077	3.0
149.13246	9.5
151.03897	9.3
153.06937	3.5
155.08537	8.4
156.09297	6.0
157.06442	6.1
157.10106	10.2
165.03964	2.7
165.05518	3.8
165.06943	14.4
167.03378	2.9
167.07031	15.3
167.08437	4.8
170.10889	11.4
171.08061	3.6
171.11646	5.3
177.16364	100.0
177.17912	5.2
180.09335	16.8
183.08017	6.7
185.05811	4.3
185.09593	5.8
185.13289	9.8
195.07953	3.1
195.11667	19.7
195.17329	12.5
198.10367	11.7
213.05392	14.4
213.09061	11.5
213.12709	48.3
213.16319	9.0
213.18307	5.0
222.71991	2.7
231.06537	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	214.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06790	0.7
50.67032	0.6
56.96552	14.4
69.03416	1.0
69.07058	8.1
70.06579	8.5
72.08140	1.1
82.99841	2.4
86.09690	100.0
87.10020	0.8
89.00900	0.7
97.02878	1.5
97.06516	9.3
98.97569	10.9
100.02486	0.9
101.00860	26.4
112.02427	1.1
113.00858	1.1
116.98605	6.1
118.03492	7.6
119.01900	96.6
120.01988	2.3
128.98579	0.9
129.02225	2.7
130.03477	3.6
131.01880	5.8
131.16437	0.7
134.99586	1.8
136.04539	2.0
137.02917	26.3
138.02975	0.9
142.03426	0.9
144.05040	3.3
144.08670	2.1
147.03264	2.2
149.02951	1.8
154.03477	1.2
155.05486	1.6
162.09740	2.7
165.00595	0.9
168.08586	4.7
172.04530	4.9
172.46457	0.8
173.01195	6.0
173.02789	1.4
173.06580	3.0
186.09723	69.2
187.09892	2.3
190.03815	1.1
191.02232	6.7
191.03989	2.5
191.07559	1.8
196.08136	3.4
197.06529	5.3
204.10771	32.8
208.99666	1.3
214.03770	1.9
214.09196	29.5
215.07559	5.0
215.09351	1.1
232.10257	67.3
233.08604	2.4
233.10632	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1072
Annotation	N-(3-Oxohexanoyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03940	15.1
55.01865	3.2
55.05512	10.0
56.96559	13.3
57.03442	1.8
57.07082	1.4
63.19008	1.1
65.03919	2.5
67.05498	7.5
68.05009	2.0
69.03432	5.0
69.79639	4.2
70.06592	4.8
71.04989	7.9
72.42139	1.2
74.06077	5.4
79.05489	12.0
80.05017	3.6
81.03413	50.1
81.07076	1.8
82.04195	2.9
82.06613	1.6
84.39224	1.4
84.96001	1.8
85.02895	2.1
85.06533	47.3
90.05558	1.7
90.27869	1.2
90.94827	1.3
93.05762	1.8
94.06551	6.3
94.41200	1.2
95.04961	31.4
96.04496	1.4
96.05766	8.3
97.02903	4.9
98.97565	6.3
100.99169	1.2
104.04984	14.2
105.03388	3.4
105.04482	3.0
106.06545	2.5
107.04968	3.9
107.59368	1.1
108.04522	2.1
108.08133	2.4
109.02866	9.3
109.06530	7.2
113.05993	29.7
115.03912	2.0
116.03485	1.9
116.98605	3.7
121.05239	3.8
121.06502	1.6
122.06019	100.0
122.24807	1.2
123.04417	31.0
124.03940	2.0
124.07590	6.0
127.03947	1.8
128.98534	1.2
132.04434	27.4
132.95802	4.4
134.06021	2.7
134.99640	2.8
136.07571	69.2
137.05975	29.8
137.06996	2.7
140.07043	2.7
141.00064	2.5
141.05457	63.2
144.97954	1.6
145.01779	1.4
146.99600	2.2
149.04718	4.3
150.05490	38.4
150.96870	12.0
151.07513	4.2
152.07039	2.4
154.08618	18.1
158.06897	2.2
161.01245	1.6
162.99165	1.9
164.07050	59.5
165.00769	1.8
167.02847	4.1
167.97162	1.6
168.10220	6.3
170.99551	1.3
173.01239	2.3
182.08127	29.9
189.00735	2.9
191.31479	1.5
191.97147	3.5
196.09680	57.9
197.63332	1.4
208.99597	2.0
209.98228	2.2
214.05809	4.9
214.10733	59.6
214.21648	3.1
219.01659	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01869	1.7
55.05503	51.2
56.05843	2.0
57.03420	4.1
57.07065	2.7
67.05161	2.0
67.05499	26.9
69.03410	2.2
69.07056	54.2
70.06577	1.9
70.07390	7.9
70.75772	2.2
71.04981	6.3
71.72345	1.4
73.06544	4.0
79.05479	17.3
81.07047	85.5
82.07370	2.3
83.04984	7.3
83.08605	39.4
85.06537	7.0
85.58261	1.4
91.05467	16.5
93.07034	17.7
95.04958	1.9
95.08591	100.0
95.17496	1.4
96.08903	3.6
97.06520	12.6
97.10157	15.8
99.08073	4.5
101.05953	1.8
105.07008	17.9
107.08582	6.6
108.08905	3.3
109.06525	2.7
109.10163	9.8
111.08054	4.0
112.12045	2.3
115.07534	2.2
119.08563	32.8
121.10126	9.9
123.08021	8.3
127.07600	2.0
133.10100	16.0
135.11662	15.9
137.09605	4.7
137.13232	17.1
141.09038	1.7
161.13228	43.4
167.97121	1.4
169.07660	1.9
179.14249	9.5
187.99405	1.3
196.16942	13.6
214.10693	3.2
214.17993	59.8
214.21344	2.3
215.06877	2.2
220.24593	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77249	0.5
56.96557	94.8
59.92154	0.5
68.31229	0.5
69.03407	3.2
69.07052	1.3
70.06583	1.8
70.98120	2.2
71.95241	0.9
72.08155	2.0
72.96005	0.8
74.97595	1.6
84.96011	0.8
85.02913	0.7
86.09692	8.8
87.04447	0.9
87.10037	2.4
97.02891	2.9
97.06531	1.3
98.97570	18.4
101.00856	3.7
102.00977	2.0
112.99140	2.0
115.03945	0.8
116.98608	10.9
118.03506	0.7
119.01900	8.7
120.01995	5.3
121.01653	0.8
127.00679	8.4
127.03958	0.6
128.98569	1.1
129.02226	40.4
130.93288	0.9
131.00156	1.1
131.01871	1.1
131.05551	0.8
134.99602	5.2
137.02934	1.6
137.07045	1.6
138.03062	1.7
145.01700	6.0
147.03265	39.8
148.03555	0.8
155.00125	12.7
157.03458	2.7
158.99680	0.9
161.02911	0.8
165.04317	5.5
167.02818	2.7
170.99538	0.7
171.05034	1.6
172.94337	1.3
173.01199	91.4
174.01540	2.5
175.04527	1.8
176.03299	1.8
176.04646	0.7
185.02998	1.8
186.09773	0.7
187.09883	5.5
189.00728	0.8
190.95390	2.1
190.98615	2.0
191.02242	100.0
192.02570	1.6
197.02881	0.6
205.11052	3.3
209.03311	5.5
214.03745	0.7
215.04041	3.9
215.09438	2.7
215.13939	3.7
232.96419	2.2
233.03137	1.4
233.05095	2.0
233.10457	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	215.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14691	1.9
70.02721	4.8
82.01458	2.8
82.99863	3.1
92.42835	2.3
96.92757	2.3
100.02472	33.9
101.00866	30.5
111.04059	6.1
112.02415	4.1
112.12505	1.8
117.02802	2.8
118.03506	100.0
119.01906	68.3
119.03616	2.5
121.62819	2.0
126.02821	2.3
126.04017	4.9
127.03524	13.3
129.05083	50.1
130.03488	25.4
136.04543	43.8
137.02951	13.5
142.03464	7.2
144.03886	2.3
144.05034	45.0
145.04572	26.1
147.06123	32.9
148.04530	9.1
154.03477	9.0
160.04616	10.8
162.06090	6.6
170.02957	25.6
171.01480	2.2
171.06146	24.1
172.04520	25.0
173.04071	49.3
174.02472	6.5
174.04321	2.4
178.05591	3.4
180.01433	13.8
188.04037	24.5
189.07161	12.5
190.05553	9.3
191.05106	50.9
197.04062	5.9
198.02504	20.3
199.00856	5.0
214.85049	27.4
215.05107	94.0
216.03459	10.1
233.06168	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	215.164
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.01871	2.9
55.05508	31.7
57.03430	3.3
67.05494	35.8
69.07066	22.8
69.20473	15.0
69.30606	2.4
71.04995	8.5
74.09749	3.1
79.05494	22.7
81.07044	84.6
83.04971	5.3
83.08612	20.4
85.06517	14.0
91.05453	20.6
93.07035	26.4
95.04984	4.0
95.08594	100.0
97.06492	16.0
97.10166	8.6
99.08089	7.2
105.07007	29.7
107.08582	14.2
109.10166	8.4
111.08037	3.7
117.06968	4.8
119.08554	41.2
121.10152	13.1
123.08095	5.6
125.07131	4.7
131.08554	6.2
132.95811	2.8
133.10106	30.2
134.40587	2.5
135.11688	21.2
137.07097	9.7
137.13228	16.8
145.10080	5.9
150.96881	7.2
159.11705	6.4
161.13237	55.5
169.07613	4.6
171.97217	3.5
173.02332	9.5
173.09549	3.2
179.14278	19.5
184.30679	2.4
187.07549	3.4
187.14653	2.9
215.07016	11.5
215.10460	3.8
215.14224	12.6
215.17917	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	215.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.9
55.05496	30.1
57.03428	11.9
57.07086	4.9
64.29751	5.3
67.05489	28.8
69.07064	34.8
71.04966	12.6
71.43981	4.6
71.44434	7.2
74.09682	8.5
79.05476	14.3
81.07047	70.4
83.08614	21.9
85.06532	15.1
90.94815	5.8
91.05461	27.3
93.07023	28.0
95.04946	7.0
95.08591	100.0
97.06501	18.5
97.10155	8.4
99.08092	7.4
105.07006	33.0
107.08577	20.0
109.06576	5.3
109.07603	11.1
109.10139	12.8
115.05460	6.8
117.07010	8.9
117.71256	4.7
119.08564	46.9
121.07596	4.6
121.10160	11.1
123.08129	6.7
126.09158	6.6
127.55073	6.3
129.07007	7.6
130.43912	5.6
131.08536	19.4
132.95808	16.4
133.10101	35.1
135.11711	6.8
137.07074	23.3
137.13251	16.5
141.06952	11.0
144.05640	7.1
145.06480	11.5
145.10098	22.0
150.96910	24.0
155.04951	10.0
156.04413	12.5
159.08037	12.7
159.11670	17.0
161.02332	9.2
161.13242	63.2
169.07607	21.8
169.10141	7.4
173.02338	22.0
173.06053	12.9
173.09563	8.8
179.08127	8.1
179.14282	28.1
183.04410	7.7
184.04016	7.8
187.07420	12.2
187.14767	9.6
191.97047	6.5
197.09256	9.2
197.13377	9.1
197.15315	9.7
198.11102	5.3
215.06792	43.7
215.10577	21.1
215.14255	36.8
215.17989	21.5
216.12372	6.4
235.72168	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	216.1592
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01868	0.7
55.05497	0.5
57.07061	1.6
60.51936	0.2
61.02909	0.3
70.87125	0.2
72.04511	0.3
73.02917	0.6
83.04971	0.9
86.06059	1.1
86.09692	100.0
87.10025	0.9
89.06008	0.5
98.22992	0.2
101.06026	0.5
111.04446	1.3
113.05973	0.2
116.10710	1.0
126.09127	0.4
126.51172	0.2
128.10695	50.2
129.05458	0.2
129.11035	0.6
142.00423	0.2
142.12250	0.4
155.06990	1.5
159.94392	0.2
161.05939	0.3
170.11734	46.8
171.12070	0.7
173.08047	0.9
174.14873	6.4
180.56374	0.2
198.11208	0.5
216.12285	0.8
216.15977	1.2
217.04893	0.5
217.10616	0.4
232.18709	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	217.0494
Annotation	8-Methoxypsoralen
Peak:m/z	Relative Intensity
55.05505	1.9
56.67942	0.3
59.04969	0.3
67.05486	0.3
69.07049	0.3
79.05489	0.6
83.04967	3.3
83.08629	0.5
86.48151	0.3
87.04468	0.6
89.06033	0.6
90.04651	0.3
95.04951	0.4
101.06007	1.3
101.55186	0.3
103.05448	1.4
105.07010	3.4
111.04439	4.5
113.06004	0.6
115.05434	0.4
118.04124	2.5
119.88560	0.3
127.07526	0.5
129.05458	0.7
131.04909	7.4
133.06467	1.7
146.03603	3.8
155.07005	5.9
158.03618	0.4
159.05487	0.4
161.05951	61.3
162.06311	1.1
173.08081	2.9
173.09431	0.4
174.03094	6.7
179.34407	0.2
189.05426	12.9
199.09552	0.3
202.02570	9.4
203.02974	0.3
217.04922	100.0
217.10515	2.7
218.05211	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	217.0858
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
53.22013	0.3
55.05258	0.5
55.05506	7.5
59.04972	0.8
63.02368	0.3
67.05490	0.5
69.03425	0.4
72.47106	0.3
73.02901	0.5
74.92994	0.3
78.04694	0.3
81.84690	0.3
83.04971	12.3
83.08582	0.7
85.06513	0.8
85.57533	0.3
87.04446	1.4
89.02379	1.3
89.06005	2.3
91.05441	0.6
93.01235	0.3
98.23456	1.1
99.04457	0.9
101.06007	4.6
102.04630	0.7
104.06231	1.0
105.07020	0.4
111.04430	16.2
111.08051	0.3
113.06004	2.0
115.05436	0.4
127.07558	1.9
128.06206	28.3
129.05478	2.5
129.06998	0.7
131.04941	1.5
137.05951	0.6
143.04938	0.5
143.08630	0.4
144.05693	1.2
145.06450	0.7
146.07243	0.6
154.04152	0.4
155.07018	19.9
156.05678	99.1
157.06134	2.4
158.03731	0.4
159.04446	1.0
171.08121	0.4
172.05182	2.1
173.05974	5.3
173.08093	10.0
173.09584	0.5
174.06746	3.3
184.05180	13.0
186.06778	0.8
187.03900	1.0
189.09010	0.5
199.09610	0.9
201.05464	1.2
202.06226	23.0
203.06665	0.9
217.08595	100.0
217.10645	10.4
218.08890	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	217.0858
Annotation	Euparin
Peak:m/z	Relative Intensity
55.01843	0.5
55.05505	12.8
55.14673	0.4
57.07045	0.5
59.04964	1.5
67.05487	1.0
69.03397	1.1
69.12121	2.4
69.12514	1.0
73.02892	0.7
77.43275	0.4
78.04626	0.5
83.04968	21.9
83.08607	0.6
85.06499	1.5
87.04437	2.4
89.02348	1.8
89.06043	3.1
91.05469	0.7
99.04441	1.1
101.06001	7.3
102.04613	0.5
102.49815	0.5
104.06218	1.3
111.04430	27.4
111.08080	0.5
113.05975	3.4
115.05470	0.5
127.07541	4.1
128.06204	28.4
128.99083	0.4
129.05482	5.8
129.06436	0.7
129.06963	0.8
131.04893	1.3
131.08621	0.6
137.05994	0.9
144.05666	1.0
145.06487	0.8
146.07266	0.7
155.05009	0.8
155.07010	36.0
156.05678	88.8
157.06364	2.6
159.04320	0.7
171.04388	0.8
172.05217	1.8
173.05977	4.9
173.08089	21.0
174.06735	2.9
174.08203	0.8
175.07542	0.5
184.05162	10.1
187.03897	0.8
199.09660	2.3
201.05467	1.1
202.06229	21.1
203.06689	0.6
217.08615	100.0
217.10703	19.1
218.09026	2.2
218.10872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0858
Annotation	Euparin
Peak:m/z	Relative Intensity
50.62589	0.3
53.03925	0.4
55.01851	0.4
55.05506	10.0
59.04965	0.8
64.83443	0.3
65.37168	0.4
67.05468	1.7
69.03400	0.9
69.55764	1.4
79.05472	0.5
81.07045	1.0
83.04972	15.8
83.08598	1.3
85.06508	1.1
87.04449	1.5
89.02354	1.6
89.06026	2.3
91.05450	0.5
93.07024	0.5
95.08575	0.6
98.23363	0.8
99.04413	0.8
101.06013	5.0
102.04634	0.6
104.06213	0.9
105.06992	1.4
107.08556	0.6
111.04431	21.2
111.08063	0.5
113.06000	2.5
115.05462	0.6
116.06232	0.5
119.08534	0.7
121.10133	0.5
127.07558	2.2
128.06206	30.5
129.05510	3.8
129.06425	0.6
129.06984	0.7
131.04926	1.2
131.08472	0.4
137.05997	0.7
142.07684	0.5
143.08524	0.7
144.05692	0.8
145.06447	1.2
145.10068	0.5
147.07977	0.5
155.04980	0.7
155.07011	26.5
156.05678	97.2
157.06189	2.5
157.10091	0.7
159.04396	1.3
159.11734	0.6
161.05931	0.9
161.09619	0.5
171.04428	0.5
171.11707	0.5
172.05191	1.5
173.05989	5.0
173.08090	15.4
174.06786	2.4
175.07526	0.4
184.05165	11.5
186.06770	0.9
187.03839	0.8
189.05452	0.4
199.07896	0.5
199.09599	1.9
199.14841	0.9
201.05482	1.6
202.06219	22.5
203.06763	0.5
217.08603	100.0
217.10669	13.4
217.15572	2.1
218.08934	3.0
228.99861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01870	0.7
55.05500	4.8
55.05743	0.4
59.04995	0.5
67.05505	0.7
69.07070	0.3
70.27297	0.5
73.02904	0.3
79.05466	0.3
81.07040	0.3
82.84375	0.3
83.04971	8.6
83.08611	0.3
85.06522	0.6
87.04444	0.6
89.02380	0.8
89.05986	1.1
91.05481	0.6
99.04453	0.5
101.05997	2.9
105.07013	1.7
111.04428	12.1
113.05997	1.5
115.05430	1.2
117.06975	1.2
118.36204	0.2
119.08572	0.6
121.10121	0.4
127.05413	0.4
127.07545	1.4
128.06201	12.8
129.05603	2.1
129.06985	34.0
130.04070	0.2
130.07695	0.8
131.04869	0.4
131.08578	0.5
133.10120	0.5
137.05954	0.5
141.07002	0.3
143.04915	0.3
143.08545	0.7
145.06487	2.2
145.10081	1.0
147.08043	0.8
147.11603	0.3
155.05998	1.5
155.07030	12.6
156.05685	0.7
157.06462	100.0
158.06783	2.0
159.04362	0.4
159.07994	0.2
161.09607	0.7
173.08072	8.3
185.05951	1.1
189.09045	3.8
199.09520	0.8
199.11259	0.3
199.14796	0.3
200.90504	0.3
207.43715	0.3
217.08531	3.8
217.10654	7.3
217.12560	0.6
217.15833	0.7
217.19389	0.4
222.21088	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	217.0859
Annotation	2-(6-methoxynaphthalen-2-yl)acetic acid
Peak:m/z	Relative Intensity
53.03930	0.3
55.01866	1.1
55.05505	10.0
57.03402	0.3
57.07069	0.3
59.04979	1.0
66.58835	0.3
67.05493	1.5
69.03419	0.9
69.07043	0.7
71.04978	0.3
73.02898	0.6
79.05476	1.1
81.07043	1.1
83.04969	15.3
83.08630	0.5
85.06522	1.1
87.04467	1.6
89.02380	1.4
89.06014	2.3
91.05471	2.0
93.07031	1.1
95.04951	0.5
95.08585	1.0
99.04438	1.6
101.06004	5.1
103.05445	0.4
105.07005	2.2
107.08577	0.7
109.06464	0.3
109.10134	0.4
111.04429	20.7
111.08053	0.6
112.04800	0.3
113.06009	2.5
115.05429	1.6
116.31696	0.3
117.06988	1.5
119.08559	1.3
121.10136	0.6
123.08058	0.3
127.07528	2.7
128.06204	13.2
129.05589	3.4
129.06987	33.3
130.07771	0.6
131.04939	0.4
131.08514	0.8
133.10109	1.1
135.11670	0.6
137.05940	0.8
141.07016	0.6
142.07701	0.5
143.04993	0.3
143.08531	1.2
145.06454	2.3
145.10086	2.1
147.08038	0.9
147.11674	0.8
155.06030	1.6
155.07022	24.1
156.05620	1.6
156.07372	0.4
157.06467	100.0
158.06824	2.2
159.11668	1.2
161.09613	1.2
161.13243	0.4
171.11661	0.4
173.08078	13.7
173.13231	0.3
174.06693	0.6
175.11076	0.3
175.14760	0.5
176.51448	0.3
185.05951	1.7
189.07416	0.5
189.09077	4.5
189.16455	0.5
199.07719	0.3
199.09618	1.1
199.14787	0.8
202.06151	0.4
211.19247	0.3
217.08578	5.1
217.10692	11.5
217.15793	2.1
217.19519	1.1
218.08163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80054	100.0
84.08128	65.1
92.07181	30.0
98.23419	60.2
122.93523	29.2
149.98340	38.1
214.36977	33.6
219.02583	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	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91369	4.0
55.05501	8.6
56.96545	4.8
57.20770	3.4
60.04502	4.6
67.71993	4.1
70.53239	7.1
83.04950	4.5
84.08129	19.1
86.09681	5.0
98.97577	14.7
103.00638	8.0
116.98615	10.6
119.01901	16.3
119.08572	6.9
121.01680	20.8
128.69131	3.7
133.10161	4.4
135.91696	3.8
139.02667	3.8
147.03214	17.5
150.28461	4.0
156.07346	5.4
158.99696	4.6
159.02893	4.8
160.96344	3.9
161.09634	4.3
165.04207	6.0
177.04266	4.5
200.13834	4.8
203.14270	30.1
219.01942	5.1
219.17398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54296	12.1
56.96562	19.6
58.56950	12.7
69.36904	57.2
71.04562	12.8
98.22704	25.5
98.97572	100.0
116.98610	52.8
131.03337	17.1
154.81825	11.3
158.99651	13.2
203.36859	13.9
208.80435	15.2
225.65552	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00767	0.8
55.01868	5.5
55.05515	1.0
56.96547	1.1
59.04974	1.5
60.04504	1.1
61.02916	23.4
65.47797	0.8
71.01343	40.4
71.06728	1.4
75.04467	59.4
76.54926	0.7
84.99232	1.5
87.04453	20.5
89.02374	8.6
90.05524	1.5
98.97565	7.0
101.05999	3.2
103.03925	66.3
113.94439	0.8
116.98600	2.7
121.10155	1.3
126.43214	0.8
128.19324	0.7
131.03377	15.3
133.10106	1.3
134.99673	1.5
137.79164	0.8
146.05956	1.3
159.02859	100.0
160.03247	1.2
161.04385	1.2
161.13280	1.0
173.05989	1.0
177.00728	1.6
187.02354	13.0
190.95142	0.9
199.30402	1.0
203.14288	4.5
205.15744	0.8
219.05013	8.0
219.07022	1.2
219.11290	1.0
219.17383	14.9
220.17770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.7
56.96558	1.4
58.22158	1.0
59.04971	1.0
61.02918	22.2
69.83680	2.5
71.01343	42.3
72.55597	0.7
74.70686	0.9
75.04469	63.3
80.03433	0.8
84.99250	1.9
87.03957	1.7
87.04459	22.2
89.02380	9.9
90.05547	1.8
98.97581	2.4
103.03925	77.1
105.07020	1.4
116.98619	1.3
119.08566	1.3
121.10126	1.0
131.03383	13.3
133.10220	1.1
159.02864	100.0
161.04443	1.0
173.07117	3.8
187.02319	8.9
196.68008	0.8
201.06589	2.9
203.14241	4.9
219.04942	9.0
219.07510	4.9
219.17435	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	219.0649
Annotation	Baldrinal
Peak:m/z	Relative Intensity
51.02390	0.3
56.96555	0.8
58.19660	0.2
69.03433	0.2
70.48555	0.3
70.48903	0.4
75.97643	0.2
77.03925	0.7
79.05493	0.6
80.06010	0.3
87.50726	0.2
91.05470	1.7
92.06250	0.5
95.04961	1.3
102.04655	0.5
103.05454	12.0
105.04487	0.3
105.07014	1.4
107.04922	0.4
115.05454	2.3
117.07043	0.6
120.05696	2.8
131.04910	71.8
132.05176	1.5
133.06424	0.6
135.08043	1.0
143.04916	0.4
147.04375	2.1
148.05173	2.1
154.93138	0.5
159.04395	33.9
160.05122	1.4
163.07523	12.8
164.07906	0.4
166.76973	0.3
172.94255	1.1
175.03874	1.1
175.07552	0.9
176.04662	7.7
187.03802	1.4
190.95345	0.8
191.07019	7.7
192.07234	0.3
203.03366	21.3
203.14268	0.5
204.04143	7.7
219.06490	100.0
219.17340	1.6
220.06870	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	219.0649
Annotation	Baldrinal
Peak:m/z	Relative Intensity
51.02375	0.3
53.03937	0.3
56.96548	1.1
71.37498	0.2
77.03925	0.6
77.26422	0.3
79.05482	0.9
85.61588	0.2
91.05463	2.6
92.06256	0.6
95.04942	1.2
102.04664	0.6
103.05453	16.1
104.06280	0.3
105.03381	0.3
105.04523	0.3
105.06992	1.5
106.94351	0.2
107.04908	0.3
110.19738	0.2
115.05437	2.5
117.06997	0.6
119.04961	0.5
120.05708	3.2
123.04453	0.3
130.04141	0.3
131.04904	93.5
132.05261	1.5
133.06505	0.3
134.42690	0.3
135.08043	1.3
143.04915	0.6
145.06438	0.6
147.04385	2.1
148.05170	3.2
154.93202	0.7
159.04388	43.2
160.03520	0.2
160.04991	1.5
163.07518	16.5
164.07846	0.3
172.94193	1.8
175.03923	0.7
175.07446	1.1
176.04675	9.8
187.03880	1.8
190.95300	1.2
191.06998	12.4
195.95798	0.3
203.03355	22.0
203.14302	0.3
204.04135	8.6
213.96805	0.4
219.06482	100.0
219.17268	1.3
220.06833	2.5
222.99611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0652
Annotation	Baldrinal
Peak:m/z	Relative Intensity
51.02371	0.5
52.44300	0.3
53.03936	0.4
55.05500	0.4
56.96563	3.8
59.71251	0.3
60.85222	0.3
64.79140	0.3
67.05495	0.4
69.54000	1.2
77.03939	0.9
79.05487	1.1
91.05465	2.6
92.06244	0.4
93.07043	0.5
95.04964	1.7
95.08572	0.3
102.04673	0.7
103.05463	14.0
104.06260	0.5
105.03434	0.4
105.06441	0.3
105.07018	1.8
107.04970	0.7
107.08611	0.3
111.04494	0.3
113.88005	0.3
115.05444	2.4
117.06984	0.6
119.04938	0.6
120.02071	0.3
120.05710	3.1
121.10176	0.4
130.04132	0.3
131.04918	86.1
132.05267	1.2
133.06537	0.3
135.04401	1.4
135.08055	1.4
136.92110	0.3
145.06467	0.4
147.04379	1.7
148.01540	0.8
148.05197	2.8
154.93214	1.1
159.04402	44.4
160.05156	1.5
161.05971	0.4
163.07541	15.6
172.94183	3.5
175.03864	0.9
175.07521	0.9
176.04684	9.7
187.03903	1.8
190.95287	5.9
191.03294	0.6
191.07027	10.7
194.02051	0.8
195.95909	0.7
203.03374	21.1
203.14252	1.6
204.04146	8.8
208.96434	0.5
213.96835	1.4
218.21103	0.4
219.06505	100.0
219.17392	3.8
220.06802	2.7
222.01582	1.4
237.03929	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	219.065
Annotation	Baldrinal
Peak:m/z	Relative Intensity
50.01584	0.2
51.02377	0.2
53.03949	0.3
55.01865	0.3
55.05513	0.2
56.96554	2.5
57.07071	0.3
70.56731	0.4
77.03943	0.3
79.05493	0.9
91.05468	2.0
92.06261	0.5
92.91368	0.2
93.07053	0.3
95.04966	1.1
96.73259	0.2
102.04668	0.3
103.05455	9.9
104.06236	0.3
105.03402	0.4
105.04497	0.4
105.07003	1.2
107.04944	0.4
107.08603	0.3
115.05443	1.9
117.07002	0.4
119.04979	0.5
119.08506	0.2
120.05715	2.5
121.10192	0.3
131.04909	58.0
132.05421	0.8
133.06502	0.2
135.04358	0.3
135.08032	0.9
136.92137	0.2
143.04900	0.2
145.06483	0.4
145.47237	0.2
147.04379	2.3
148.05171	2.5
154.93210	1.1
159.04391	26.4
160.05159	1.4
163.03902	0.4
163.07523	11.7
172.94217	2.9
175.03906	0.8
175.07469	0.6
176.04668	8.3
187.03882	0.9
190.95261	4.3
191.03464	0.2
191.06999	5.9
195.95882	0.4
203.03357	25.2
203.14323	0.8
204.04143	6.7
213.96991	1.1
218.21109	0.4
219.06487	100.0
219.17365	3.2
220.06862	2.4
228.86925	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	219.0651
Annotation	Baldrinal
Peak:m/z	Relative Intensity
50.27406	0.3
53.51778	0.2
54.74344	0.3
55.01876	0.5
56.96563	2.8
61.55783	0.3
68.82039	0.3
71.43658	0.3
77.00091	0.2
77.03918	0.4
79.05480	0.8
85.06484	0.2
89.38313	0.3
91.05457	1.5
92.06244	0.5
95.04945	1.0
103.05463	8.5
105.07021	1.2
107.04934	0.3
107.08588	0.4
115.05451	1.4
117.07034	0.4
119.08503	0.3
120.05717	2.1
131.04916	57.7
132.05363	0.9
135.04385	0.4
135.08054	0.9
136.92146	0.4
145.06456	0.4
145.10127	0.3
146.74864	0.3
147.04420	2.1
148.05200	2.1
154.93221	0.8
159.04396	25.9
159.11623	0.4
160.05200	1.3
163.03838	0.5
163.07532	9.9
167.24118	0.3
172.94203	3.6
175.03883	0.9
175.07587	0.6
176.04677	8.9
187.03955	0.7
190.95293	5.5
191.07016	5.8
191.10574	0.4
195.95818	0.5
203.03372	23.5
203.14336	1.4
204.04146	6.6
208.96500	0.4
213.96910	1.3
218.21107	0.6
219.06500	100.0
219.17401	4.0
220.06876	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.065
Annotation	Baldrinal
Peak:m/z	Relative Intensity
53.03915	0.4
56.96553	3.9
69.03379	0.3
69.09431	1.9
77.03923	0.4
79.05495	0.3
81.07049	0.3
91.05457	1.3
92.06261	0.3
93.07043	0.4
95.04961	0.8
98.22678	0.7
103.05453	6.8
105.07005	1.3
107.08605	0.5
115.05415	1.7
119.04934	0.4
119.08535	0.4
120.05711	2.2
131.04906	43.5
132.05269	0.5
133.06465	0.3
133.10083	0.3
135.08035	0.8
136.13889	0.3
136.92172	0.7
141.07008	0.3
143.04878	0.4
147.04382	1.7
148.05139	1.8
154.93166	1.6
159.04387	20.2
160.05162	1.5
161.13263	0.4
163.07504	8.8
172.94214	4.4
175.03871	1.1
176.04646	6.2
187.03850	0.4
187.43311	0.4
190.95300	5.6
191.07019	2.9
195.95816	1.0
203.03355	24.4
203.14243	0.6
204.04146	6.2
208.96313	0.4
213.96906	1.4
219.06482	100.0
219.17372	3.6
220.06816	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	219.0649
Annotation	Baldrinal
Peak:m/z	Relative Intensity
51.02369	0.3
53.03933	0.2
55.01873	0.2
56.96544	0.2
71.43656	0.2
77.03934	0.6
79.05483	0.7
91.05453	1.7
92.06224	0.4
95.04969	0.8
102.04720	0.3
103.05451	10.9
104.06252	0.3
105.03359	0.3
105.04514	0.4
105.07043	1.2
107.04965	0.5
115.05442	2.0
117.06993	0.4
119.04933	0.6
120.05692	3.1
121.35627	0.2
124.23515	0.2
131.04906	69.7
132.05260	0.9
133.06508	0.2
135.08023	1.2
143.04945	0.3
147.04378	2.0
148.05159	2.7
151.03976	0.2
154.50475	0.2
154.93246	0.2
155.08194	0.2
159.04388	33.1
160.05177	1.7
163.07520	12.0
172.94273	0.5
175.03955	1.0
175.07527	0.7
176.04645	7.5
177.05171	0.2
187.03882	0.9
190.95271	0.3
191.06999	6.2
191.08681	0.4
192.88451	0.2
203.03355	23.1
203.14247	0.4
204.04126	7.8
219.06483	100.0
219.17471	0.7
220.06784	2.0
222.80804	0.2
236.25189	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	219.065
Annotation	Baldrinal
Peak:m/z	Relative Intensity
50.01590	0.2
50.45662	0.2
51.02380	0.2
52.56543	0.2
55.01887	0.3
56.96548	0.3
59.40727	0.2
67.05524	0.2
70.14630	0.2
70.16965	0.3
70.17291	0.2
72.72257	0.2
73.54243	0.2
77.03926	0.9
77.25391	0.2
79.05500	1.0
91.05473	2.2
92.06248	0.5
95.04958	1.3
95.07983	0.2
97.53999	0.2
102.04654	0.5
103.05452	15.3
104.06226	0.3
105.03373	0.4
105.04499	0.4
105.07019	1.7
107.04978	0.5
107.08546	0.2
115.05444	2.8
117.07012	0.5
119.04937	0.5
120.05704	2.7
131.04909	100.0
132.05124	1.5
133.06500	0.6
135.08054	1.3
143.04913	0.8
145.06506	0.3
147.04399	1.7
148.05173	2.8
159.04391	47.6
160.04955	1.5
162.06676	0.2
163.07516	17.1
164.07899	0.3
172.94287	0.4
175.03906	0.8
175.07515	1.5
176.04660	7.2
187.03879	2.3
191.07007	14.0
192.07297	0.4
203.03362	11.2
204.04149	8.1
208.62918	0.2
219.06487	75.9
219.17392	0.6
220.06808	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0649
Annotation	Baldrinal
Peak:m/z	Relative Intensity
51.02379	0.4
54.59402	0.2
55.05497	0.4
56.96539	0.3
57.07052	0.3
65.03909	0.3
67.05475	0.7
69.03409	0.3
70.61651	0.2
70.73677	0.4
71.04964	0.3
77.03930	0.9
78.04688	0.3
79.05486	1.3
80.80724	0.2
81.07025	0.5
83.04949	0.3
91.05463	4.5
92.06234	0.7
93.07014	1.0
95.04943	2.0
95.08589	0.8
100.31920	0.2
102.04668	0.6
103.05447	15.8
104.06231	0.4
105.03368	0.3
105.04491	0.9
105.07002	3.5
107.04917	0.7
107.08584	1.1
109.06506	0.3
109.10143	0.5
111.04417	0.3
115.05428	5.0
116.06219	0.7
117.06992	1.5
118.07793	0.2
119.04906	0.4
119.08572	1.2
120.05705	3.3
120.60213	0.2
121.06432	0.3
121.10107	0.6
123.08047	0.3
125.09579	0.2
128.06184	2.3
129.06982	8.3
129.07965	0.4
130.04131	0.5
130.07759	0.4
131.04901	100.0
131.08542	7.5
132.05318	1.5
133.06435	0.6
133.10115	1.2
135.04410	0.3
135.07993	1.2
137.05943	0.7
141.06964	7.1
143.04918	1.1
143.08534	0.4
144.05641	1.1
145.06474	2.7
145.10086	1.0
146.07227	1.1
147.04372	1.3
147.08029	0.5
148.05162	3.1
149.05919	0.4
155.06030	0.3
157.06458	4.2
157.07634	0.4
158.03624	0.3
158.07245	4.2
159.04384	48.0
159.07999	5.8
159.11676	1.1
160.05167	2.5
161.05887	0.6
161.09557	0.9
161.13258	0.6
162.06749	0.3
163.07510	16.9
164.07823	0.4
169.06410	2.8
169.07640	0.4
170.07249	1.7
171.04295	0.4
171.07896	0.3
173.05974	2.3
173.09579	0.6
173.13197	0.6
174.06731	15.0
175.07507	3.9
176.04645	7.3
176.08095	0.3
177.05322	0.6
186.06734	3.7
187.03905	2.5
187.07494	0.5
188.08279	0.7
189.09068	18.9
190.09476	0.3
191.06996	16.3
191.10594	1.6
192.07323	0.4
201.05374	0.4
201.09056	7.9
201.16357	0.8
202.09378	0.2
203.03349	2.7
203.14264	0.9
204.04129	7.8
219.06494	54.7
219.09973	19.4
219.17352	4.2
220.06862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Bitalin A
Peak:m/z	Relative Intensity
50.08510	0.6
53.03945	0.9
54.07412	0.6
55.01874	0.8
57.03428	1.2
65.03956	0.8
67.05494	2.8
69.07058	1.4
69.58591	2.0
71.04984	1.6
77.03946	1.2
77.92155	0.6
79.05495	2.9
81.07058	2.5
83.30205	0.6
89.03916	2.6
90.04689	1.1
91.05472	16.9
92.92003	0.8
93.07035	2.4
95.04960	2.7
95.08595	3.2
97.06576	0.7
98.23439	0.7
102.04703	1.4
103.05455	8.3
105.03407	1.1
105.07015	7.4
107.04955	0.6
107.08595	2.5
109.10155	1.3
115.05446	13.4
116.02608	1.1
116.06241	4.5
117.03362	1.0
117.07006	4.1
118.04189	1.9
119.04930	1.8
119.08590	6.5
120.05742	1.2
120.08088	0.8
121.10148	2.2
123.08017	0.7
125.09565	1.0
128.06203	11.4
129.06992	43.2
130.04163	1.3
130.07816	3.4
131.04918	13.3
131.08554	41.9
132.05664	1.5
133.02861	2.4
133.06493	2.7
133.10104	7.7
134.03596	0.7
135.04408	0.8
135.08035	0.9
137.05939	4.4
141.06973	40.0
143.04926	2.7
143.08545	2.3
144.05685	7.6
145.02853	2.0
145.06477	8.2
145.10150	1.8
146.03648	4.3
146.07245	6.2
147.04401	3.6
147.11627	1.1
148.05159	5.8
151.07477	0.9
155.04945	0.9
155.06071	1.7
156.05627	0.7
157.06464	26.5
158.07257	23.9
159.04413	11.2
159.08038	30.9
159.11681	3.1
160.05185	7.3
161.02322	1.0
161.05980	3.7
161.09607	4.1
161.13235	2.2
162.06735	1.0
163.07487	4.5
168.05710	0.9
169.06454	15.9
170.07260	7.0
171.04396	1.3
171.08064	1.7
173.02362	2.6
173.05946	5.8
173.09671	1.4
173.13254	2.1
174.06740	81.1
175.03847	1.1
175.07510	15.3
176.04659	5.9
176.08243	0.9
177.05467	1.0
183.08061	1.0
185.05952	1.3
186.06738	19.5
187.03912	3.0
187.07504	2.3
188.08286	4.7
189.01889	1.1
189.05595	4.2
189.09081	100.0
190.09453	2.9
191.07030	8.0
191.10632	8.4
201.09076	41.8
201.16402	2.1
202.09407	1.5
203.14317	1.6
204.04097	4.2
219.06621	36.9
219.10115	97.4
219.17395	13.9
220.10561	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05487	3.5
65.03918	0.9
67.05486	4.2
67.28202	1.0
69.07043	3.1
69.53062	1.7
69.53436	3.5
71.04981	2.6
79.05476	5.2
79.12826	1.1
81.07059	7.4
83.04990	1.7
83.08598	1.5
85.60876	1.0
89.39948	0.8
89.54675	0.9
91.05472	17.0
93.07039	6.1
95.04953	2.0
95.08593	5.9
97.06517	1.3
98.22607	1.0
103.05451	3.6
104.06233	3.8
105.07024	10.6
107.04903	1.1
107.08583	5.2
107.69410	0.9
109.06503	2.1
109.10125	3.2
109.31020	0.9
111.08088	0.9
115.05446	12.9
116.06222	2.6
117.07008	9.9
119.04925	1.0
119.08588	7.0
121.06501	1.7
121.10149	5.4
123.11681	1.2
128.06218	5.6
129.06999	17.1
130.04091	1.3
130.07755	1.2
131.04909	9.9
131.08548	19.5
132.05705	7.2
133.06500	1.3
133.10136	8.3
135.08029	3.7
135.11642	1.2
137.05936	2.4
141.06972	15.8
143.04932	2.2
143.05988	1.2
143.08578	1.3
144.05710	5.4
145.06467	8.7
145.10138	5.7
146.07217	3.0
147.08028	6.6
147.11623	1.5
149.13261	1.2
155.06003	1.1
157.06474	10.1
157.07536	1.4
157.10074	1.7
158.07257	11.5
159.04388	2.7
159.08029	14.0
159.11658	5.7
160.05196	9.4
161.05934	2.2
161.09579	2.6
161.13266	4.9
162.06784	2.1
163.07495	1.8
163.11165	2.0
169.06488	6.5
170.07237	3.3
172.94261	1.4
173.06001	3.5
173.09630	1.4
173.13246	2.1
174.05582	1.0
174.06740	40.6
175.07523	90.1
186.06763	7.8
187.07465	2.8
188.08275	2.3
189.09088	35.8
190.95355	1.9
191.06961	2.3
191.10672	3.7
201.05362	1.8
201.09099	18.1
201.12808	1.1
201.16348	6.5
203.14275	3.9
219.10129	100.0
219.13730	3.0
219.17389	25.9
220.10437	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03418	0.9
67.05485	2.1
69.07055	1.3
69.33646	4.9
71.04979	1.1
81.07053	2.2
83.04928	1.0
91.05473	13.6
93.07005	1.6
95.08595	1.7
103.05455	4.1
105.07006	5.8
107.08564	2.2
115.05439	11.1
116.06221	4.2
117.07009	4.6
119.04916	2.1
119.08543	3.9
120.08016	1.6
120.34433	0.9
128.06203	11.9
129.06993	44.6
130.07756	3.4
131.04909	9.0
131.08549	40.4
133.10112	2.7
135.08025	2.1
137.05937	4.5
141.06981	38.4
143.04903	2.7
143.08563	1.4
144.05675	5.8
145.06442	10.9
145.10110	1.1
146.07196	5.5
147.07977	2.4
147.11610	1.1
148.05165	2.4
155.05954	1.7
157.06467	23.9
158.07260	26.3
159.03073	1.0
159.04367	5.0
159.08040	27.9
159.11652	2.5
160.05190	5.4
161.05910	2.3
161.09564	4.0
161.79517	0.9
163.03770	0.9
163.07509	2.4
169.06459	15.1
169.07707	1.6
170.07253	7.6
171.04544	1.0
171.07927	1.7
173.05951	6.5
173.09572	1.9
173.13277	1.8
174.06744	83.0
175.07501	14.7
186.06738	22.2
187.07454	2.9
188.08322	4.0
189.09082	98.5
190.09384	2.0
191.07063	2.7
191.10678	8.2
201.09079	41.9
201.12769	1.6
202.09384	1.0
203.14261	3.8
219.10129	100.0
219.13754	4.8
219.17368	11.7
220.07510	2.9
220.10478	1.9
229.39844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.60913	0.9
57.24331	0.8
65.87182	0.8
67.05498	1.2
71.04955	1.4
71.15726	1.0
81.07063	1.8
91.05470	12.3
93.07026	1.1
94.13055	0.8
95.04947	1.4
95.08591	2.0
103.05448	4.1
105.07011	4.8
107.04968	1.0
107.08543	1.4
115.05420	11.7
116.06231	2.9
116.81892	0.8
117.06985	3.7
119.08565	2.5
123.08069	1.1
128.06206	10.2
129.06985	44.6
130.04128	1.5
130.07738	3.9
131.04915	10.2
131.08546	34.9
132.05725	1.1
133.10089	3.1
137.05945	4.8
140.06183	1.9
141.06966	37.9
143.04898	2.1
143.08539	1.5
144.05754	5.5
145.06465	12.7
145.10124	1.7
146.07253	4.4
148.05154	1.9
155.06018	1.6
157.06462	21.6
158.07243	23.5
159.04381	5.1
159.08023	26.3
159.11668	1.6
160.05133	6.4
161.05933	1.3
161.09579	3.7
163.07549	2.8
169.06439	13.7
169.07693	1.8
170.07254	6.7
171.04361	1.4
173.05957	7.8
173.09496	1.2
174.06737	72.4
175.07513	14.0
176.04636	0.9
179.59105	1.0
185.05901	1.1
186.06737	16.4
187.07410	2.1
188.08327	3.7
189.09073	94.6
190.09514	2.8
191.06935	2.6
191.10646	6.8
201.05444	4.0
201.09073	38.5
201.16472	1.9
219.06554	4.2
219.10126	100.0
219.17351	6.7
220.10466	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03432	1.4
67.05513	0.9
69.66393	3.2
72.23611	0.9
91.05473	11.2
93.78410	0.9
103.05441	3.4
105.06999	1.2
107.64876	0.9
115.05436	11.2
116.06226	2.8
117.07011	1.9
119.04884	1.0
119.08562	1.1
128.06190	9.5
129.06987	36.0
130.07765	1.8
131.04909	9.6
131.08546	36.3
137.05963	3.8
140.06157	0.9
141.06967	36.9
143.04890	2.3
143.08530	2.3
144.05692	5.0
145.06453	7.9
146.07256	5.0
155.05995	1.3
156.05608	1.2
157.06473	20.0
157.07672	1.7
158.07248	21.3
159.04445	4.3
159.08038	24.5
160.05170	6.0
160.08279	1.2
161.09570	3.0
163.07541	2.1
168.05652	1.8
169.06454	13.4
169.07722	1.8
170.07262	6.9
171.08075	1.2
172.05199	1.3
173.05954	4.5
174.06741	80.1
175.07536	13.2
183.08026	1.2
185.05956	1.3
186.06721	16.7
187.07338	1.5
188.08316	3.3
189.09076	100.0
190.09479	2.4
191.07057	1.3
191.10696	6.6
201.09082	39.8
202.09433	1.1
219.10133	86.0
220.10405	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
50.64155	0.4
51.02378	0.4
53.03930	1.5
53.15316	0.4
55.01859	1.3
55.05505	7.3
56.96552	0.9
57.03427	0.9
57.07063	0.7
65.03928	1.0
67.05495	21.6
69.03436	1.0
69.07056	4.8
69.33350	1.8
69.33775	0.7
71.04971	0.7
77.03912	1.0
79.05482	26.0
81.03410	4.1
81.07045	20.5
83.04958	1.2
83.08611	2.9
85.06562	0.6
91.05468	27.3
93.07033	25.9
95.04954	5.2
95.08591	14.1
97.06512	2.0
97.10137	1.5
98.22643	0.8
99.08052	0.5
101.47948	0.4
105.04497	1.5
105.07015	10.7
107.04947	6.6
107.08582	13.2
109.06493	1.8
109.10152	4.7
111.08023	0.6
113.09650	0.5
117.07010	9.6
119.08564	9.3
121.06490	4.5
121.10119	9.6
123.08053	2.0
123.11694	0.8
131.08545	16.2
133.10127	5.6
135.08081	0.7
135.11682	4.4
137.09598	1.5
145.10091	7.7
147.11642	0.8
149.13181	0.9
152.96820	0.5
153.12714	0.8
159.11652	3.6
161.13239	0.8
163.38835	0.5
172.94203	0.8
173.13242	1.2
175.14742	0.4
190.95305	1.9
195.95831	0.7
201.16333	3.6
203.14259	1.5
206.58696	0.4
219.17407	100.0
220.17691	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	219.1743
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
52.41713	0.5
55.01867	0.7
55.05502	7.0
57.03422	1.1
57.07066	9.1
58.06585	1.2
58.07389	2.7
59.04979	1.7
65.03910	1.0
67.05493	14.1
69.03410	2.7
69.07058	9.5
69.22401	3.6
70.06223	1.1
70.06580	12.1
71.04984	2.7
71.06906	5.7
71.08614	5.1
72.08959	1.9
72.25974	0.5
77.03939	1.0
79.05481	13.8
81.03402	0.8
81.07043	35.8
83.04958	2.3
83.08604	3.0
85.06540	1.4
88.07621	16.7
89.07920	5.9
91.05463	11.8
91.53810	0.5
93.07032	38.7
95.04964	3.5
95.08588	33.4
97.06521	9.7
97.10123	1.5
98.23413	1.4
99.08080	0.6
102.09153	4.9
103.05437	1.0
103.09505	1.5
105.04496	0.6
105.07013	30.2
106.08663	8.5
107.04916	0.7
107.08546	25.9
108.08918	0.6
109.06509	4.6
109.10135	18.2
111.08074	2.7
115.05492	0.9
117.06995	6.1
118.06512	0.7
119.08560	17.9
120.86237	0.6
121.06484	0.7
121.10120	15.2
123.08043	6.0
123.11675	2.6
123.91021	0.6
125.09583	3.3
128.06165	0.9
129.07004	3.7
130.07805	0.9
131.04884	1.5
131.08545	15.3
132.05289	1.1
133.10106	14.8
135.08054	1.9
135.10614	1.0
135.11670	19.1
137.09589	2.7
137.13152	0.6
141.06998	2.7
143.08469	1.2
145.06494	1.1
145.10104	25.6
146.10793	1.1
147.11665	5.9
149.09592	2.7
149.13252	2.4
151.11147	1.3
157.06497	1.4
157.10091	1.4
158.07182	1.0
159.06435	0.8
159.08017	1.9
159.11671	19.0
161.13231	17.7
162.13754	0.6
163.11162	4.1
163.14842	0.9
173.13246	8.6
174.06706	5.1
175.07524	1.3
175.14787	4.3
175.18839	1.6
176.14346	0.9
177.12794	1.5
177.16382	1.2
186.06818	0.9
189.09076	7.6
191.10744	0.6
191.14346	0.8
191.17953	5.4
200.19991	0.7
201.09064	3.1
201.16353	38.6
201.20381	8.6
202.16733	0.8
203.14223	0.9
218.21091	7.4
219.08376	2.5
219.10175	6.5
219.13960	1.9
219.17418	84.1
219.21451	100.0
220.16934	4.6
220.21707	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03933	1.3
55.05501	10.3
56.96547	1.6
57.03415	2.7
57.07051	3.2
58.22253	0.8
59.04992	0.9
60.33667	0.7
62.68428	0.7
63.49464	0.7
67.05495	14.4
68.94022	0.9
69.03418	5.1
69.06701	1.4
69.07055	16.4
69.60199	2.9
71.04972	2.8
79.05486	11.6
81.07045	28.1
83.04967	6.2
83.08620	3.5
85.06522	1.6
91.05465	14.1
91.57563	0.7
93.07030	35.0
95.04961	4.2
95.08594	26.9
97.06520	7.4
97.10156	3.0
97.31100	0.7
99.08072	0.8
102.04681	0.7
103.05447	2.4
105.04510	0.8
105.06339	1.4
105.07021	23.5
107.04935	2.2
107.08578	27.2
109.06518	7.7
109.10137	18.5
111.08072	3.9
115.05421	4.8
116.06227	1.3
117.07003	7.2
119.08568	20.5
121.06478	3.1
121.10132	19.7
123.08052	10.7
123.11689	5.5
125.09625	6.2
127.11177	1.4
128.06235	1.9
129.06975	5.2
130.04129	1.0
130.07759	2.4
131.04901	7.8
131.08549	13.7
133.06470	1.0
133.10092	9.8
135.08035	3.4
135.11676	15.0
137.09641	3.5
141.06999	3.8
143.08521	1.6
144.05669	1.4
144.09328	2.2
145.06477	4.3
145.10107	22.4
147.04327	0.8
147.11662	12.4
148.05182	0.8
149.05959	0.8
149.09579	4.3
149.13252	3.4
151.11185	2.3
157.06427	1.7
157.07593	1.5
157.10086	1.7
158.03625	1.5
158.07277	2.6
159.04425	4.1
159.08067	4.5
159.11671	21.7
160.05193	1.4
161.05984	1.0
161.09639	1.7
161.12029	1.2
161.13249	12.1
163.07545	1.9
163.11150	14.2
163.14760	1.1
169.06479	1.0
171.11722	1.2
172.94162	1.0
173.06001	5.3
173.13243	5.6
174.06731	7.3
175.03860	1.0
175.07426	3.9
175.14763	3.5
176.04642	2.1
177.05481	1.1
177.09044	1.4
177.12776	3.4
177.16370	1.0
187.07491	1.1
189.09071	8.2
190.95306	2.0
191.03310	1.3
191.07043	2.0
191.14249	1.2
191.17969	4.7
201.05434	4.9
201.09123	3.5
201.16362	20.0
203.03366	2.5
203.14320	3.9
204.04184	2.1
205.15851	1.0
219.02826	2.7
219.06529	19.0
219.10011	10.8
219.13849	3.5
219.17410	100.0
220.17737	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	219.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	1.7
55.05506	23.4
57.07054	5.8
67.05498	60.1
69.07056	13.9
69.38435	7.4
71.04987	22.9
79.05477	7.1
81.07044	64.4
81.40135	1.6
83.08611	33.3
85.06525	17.7
91.05466	4.6
93.07034	6.7
95.04979	2.8
95.08596	100.0
97.10174	11.2
99.08050	3.4
105.07052	8.5
105.68780	1.6
107.08566	5.0
109.10145	82.5
110.10483	2.4
115.05476	2.8
117.07012	3.8
119.08559	4.0
121.10139	6.0
123.11703	12.9
129.06981	3.4
131.04880	2.8
131.08531	6.1
133.10094	9.3
137.13213	2.0
141.06952	2.4
145.10121	9.0
154.28351	2.0
157.06470	2.6
159.07999	3.4
159.11662	6.4
161.09535	1.8
161.13249	3.0
165.16319	3.4
169.06369	2.4
171.17296	1.7
173.13293	4.1
174.06741	4.2
175.07462	3.7
183.17413	13.6
189.09050	3.9
191.10567	2.0
201.09085	2.5
201.16348	5.7
203.14284	3.1
219.06564	2.2
219.10138	9.2
219.13684	4.8
219.17436	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	219.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01841	2.4
55.05505	24.5
57.03428	2.1
57.07068	9.2
61.69749	1.7
65.03954	2.1
67.05498	63.8
69.03408	2.1
69.07053	14.0
71.04985	22.4
79.05488	11.8
80.19375	2.2
81.07047	66.7
83.04977	5.2
83.08609	29.7
85.02930	2.0
85.06525	20.0
91.05469	21.1
93.07024	16.1
95.04953	2.8
95.08599	100.0
97.06533	4.8
97.10150	7.2
99.08089	6.9
103.05414	3.1
104.06268	2.1
105.07027	18.6
107.08576	13.6
109.06522	4.0
109.10143	71.8
111.04427	2.2
111.08057	3.5
111.11697	2.1
115.05457	7.5
117.06978	8.9
119.08564	13.8
120.08134	2.6
121.06483	3.0
121.10118	8.5
123.08022	3.1
123.11688	14.9
128.06180	2.9
129.06999	10.8
130.07779	3.7
131.04892	4.3
131.08548	24.5
132.05643	1.8
133.10115	14.7
135.08063	6.0
135.11671	5.9
137.13231	2.6
141.06963	8.8
143.08554	4.1
145.06480	6.7
145.10117	17.1
147.08031	3.4
147.11681	3.6
149.13245	2.2
150.05185	1.8
155.08531	2.2
157.06459	5.1
157.07602	2.8
157.10027	2.2
158.07265	8.1
159.08052	12.3
159.11653	18.4
160.05182	3.9
161.05988	1.8
161.09648	3.9
161.13229	5.3
163.11198	3.4
165.16382	3.2
165.57039	1.8
169.06473	2.7
173.05930	1.9
173.09579	2.3
173.13286	11.6
174.06755	18.1
175.07486	19.5
175.08667	2.0
175.14867	2.5
177.12720	5.3
183.11664	3.2
183.17407	16.2
186.06703	2.3
189.09065	21.4
191.10535	3.1
191.14258	2.7
201.09084	11.9
201.12741	7.6
201.16354	10.1
201.18248	2.0
203.14336	6.4
205.15825	2.0
217.44473	2.0
219.06558	2.2
219.10136	55.5
219.13820	21.4
219.17406	47.4
220.10304	2.3
238.14119	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	220.1177
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.65763	0.6
53.75247	0.6
55.01872	0.9
57.07072	5.8
59.04992	4.7
67.05495	5.8
67.05838	1.0
69.07077	4.5
69.11136	4.5
70.02943	5.8
70.29089	0.5
72.01671	0.7
72.04506	16.5
73.02901	3.8
74.02417	1.4
83.04967	1.8
83.60033	0.6
85.06527	11.0
86.09676	1.4
87.08083	2.1
90.05540	100.0
93.94966	0.6
95.04950	6.7
96.08132	1.8
98.02399	15.6
100.03982	3.0
102.04315	0.6
103.07561	7.7
104.04321	1.0
113.05990	1.7
116.03436	12.9
124.07580	16.7
130.08611	0.9
131.07018	0.8
132.10167	0.8
142.08597	7.0
156.10167	1.4
160.03210	1.2
160.09686	2.0
166.08607	1.6
174.11287	1.9
182.60175	0.6
184.09656	18.9
184.11246	1.3
189.19489	0.6
202.10703	27.3
205.15889	1.5
220.11769	27.3
220.17889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
56.96563	0.7
57.07066	7.4
59.04990	4.8
60.55871	0.7
62.40293	0.7
67.05497	6.2
68.50592	0.7
69.07052	6.0
70.02943	8.9
70.06573	1.1
70.89655	0.9
72.04508	16.2
73.02917	3.9
73.06538	0.8
74.02436	2.1
76.04806	0.9
83.04970	1.4
85.06530	14.1
86.09691	1.8
87.08092	2.6
90.05544	100.0
95.04967	6.9
96.08127	2.6
97.06556	0.9
97.22197	0.7
98.02402	17.6
98.09692	1.0
100.03956	2.8
102.21812	0.8
103.03919	1.2
103.07570	10.1
113.05980	3.5
116.03444	13.7
117.89227	0.7
124.07580	20.4
131.07001	1.1
133.47537	0.7
142.08618	8.6
152.07045	1.0
156.10222	0.9
160.03215	1.7
160.09692	1.7
166.08629	2.6
174.11232	2.9
184.09674	20.7
190.24875	0.9
202.10712	27.0
203.11688	0.7
204.14694	0.7
205.15837	5.3
214.74617	0.7
220.09924	0.9
220.11771	26.6
220.13924	1.7
220.17961	2.8
221.12891	6.8
241.94489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13961	0.5
55.01873	0.7
55.05504	1.5
56.01400	1.0
57.07066	6.6
59.04991	4.9
67.05492	5.6
68.37961	0.5
69.07063	5.0
69.10960	2.0
69.11366	1.7
70.02946	7.2
72.04502	13.5
73.02898	3.6
74.02437	1.6
75.04472	0.9
80.49477	0.5
83.04961	1.8
85.06527	11.8
85.07036	0.6
86.09687	1.5
87.08105	1.7
90.05540	100.0
95.04954	6.3
96.08134	2.1
96.44338	0.5
98.02399	18.1
98.03037	0.9
99.81059	0.5
100.03983	2.4
103.03949	0.6
103.07565	7.9
112.07582	0.8
113.06004	2.9
116.03437	14.2
124.07565	18.5
131.07120	0.7
142.08620	8.4
152.09444	0.6
160.03194	1.1
160.09653	2.2
166.08592	1.9
174.07460	2.2
174.11243	2.2
184.09663	18.6
199.76895	0.6
202.06793	1.0
202.10699	28.2
205.15826	2.1
220.08115	1.4
220.11757	24.8
220.17725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.11432	0.6
51.05479	0.6
51.91232	0.5
55.01858	1.6
55.05506	1.4
57.07065	7.6
59.04998	4.5
67.05489	5.8
69.07062	5.0
70.02939	7.6
70.97140	0.6
72.04507	12.5
73.02901	3.1
74.02409	1.5
77.69566	0.6
79.05497	0.6
81.07045	1.3
83.04957	1.7
85.06530	11.6
86.09710	0.8
87.08087	2.0
90.05539	100.0
91.05417	0.6
93.07057	0.7
94.06538	0.7
95.04949	8.2
96.08120	2.2
98.02393	13.1
100.03951	2.8
103.07554	7.5
105.07024	0.7
107.04922	0.6
112.07626	0.7
113.05994	2.4
116.03436	16.7
119.08584	0.8
121.06470	1.3
121.10134	0.6
124.03920	0.9
124.07571	19.6
129.06982	1.3
131.07034	0.9
137.05957	6.8
142.08614	6.9
145.10092	1.0
158.05997	0.7
160.05200	1.2
160.09665	2.0
161.06017	1.5
163.03867	0.7
165.05423	1.7
166.08617	2.0
174.11270	1.9
175.07481	2.1
175.08800	1.0
177.12733	0.9
183.41611	0.6
184.09668	20.3
202.10712	26.1
203.06900	0.8
204.14610	2.3
205.15857	12.7
220.06111	1.1
220.09824	1.9
220.11749	25.9
220.17799	7.9
221.12727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.05508	1.8
56.96562	0.9
57.07071	7.8
59.04990	4.8
60.04523	1.7
61.02908	1.2
65.29317	1.2
67.05497	6.5
69.07074	5.3
70.02957	6.5
70.06601	1.6
71.40845	1.2
72.04504	14.4
72.08141	2.9
73.02907	4.6
74.02430	2.1
74.06075	1.3
78.00959	1.2
81.07012	1.1
83.04980	2.2
84.08145	1.7
85.06539	13.4
86.09684	2.8
87.08117	1.9
90.05544	100.0
93.69940	1.2
94.06560	2.1
95.04971	6.2
96.08131	2.4
97.52342	1.3
98.02403	14.6
98.09705	1.8
100.03978	2.6
103.07580	9.2
113.06002	3.8
116.03434	17.8
116.98615	1.9
117.69711	1.0
119.01918	2.6
119.03390	1.0
124.03951	2.0
124.07571	18.7
126.47069	1.1
130.06512	1.4
131.01836	1.5
131.07098	1.7
142.08620	6.8
152.58183	1.1
156.13835	3.0
160.09686	2.5
161.06970	1.1
166.08600	2.0
173.02844	2.0
174.11240	2.6
184.09663	17.4
197.02917	2.5
202.10722	26.4
202.12585	1.5
203.66154	1.0
204.14648	1.7
205.15839	8.3
215.03989	2.0
220.06113	1.4
220.09727	2.4
220.11771	24.2
220.15381	5.5
220.17818	7.4
221.12805	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	220.1694
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.42113	0.1
69.25722	0.7
70.16779	0.1
76.21066	0.1
79.05465	0.1
91.05441	0.3
93.07033	0.1
98.22654	0.3
102.60817	0.1
105.07030	0.2
106.06553	0.2
117.07022	0.2
118.06525	11.1
119.07347	0.2
119.08568	0.2
130.06488	0.2
132.08072	2.8
133.08862	1.3
133.09779	0.2
134.09639	0.8
144.08067	0.3
146.08562	0.2
146.09628	3.4
147.10371	0.3
148.11212	0.1
158.09567	0.1
160.11183	0.4
161.11856	0.2
162.09122	6.0
163.09828	0.2
172.11264	0.1
176.10759	4.0
176.14319	30.5
177.11424	1.9
177.14674	0.5
178.12189	0.2
189.15033	0.3
190.09520	0.1
190.12233	3.6
191.12939	0.4
202.15903	1.1
204.13731	0.2
205.15965	0.2
220.16928	100.0
221.17278	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	221.0442
Annotation	6,7-Methylenedioxy-8-methoxycoumarin
Peak:m/z	Relative Intensity
51.02354	0.6
53.03927	1.4
55.01850	0.9
65.03915	1.4
66.04710	4.8
67.01847	1.0
67.05482	1.3
68.99772	0.7
69.03408	1.9
69.51282	0.9
69.51691	1.5
70.06580	0.9
71.53439	0.5
77.03916	3.5
79.05483	6.3
80.82649	0.5
80.88701	0.5
81.03407	3.0
81.07043	2.6
83.04942	0.5
89.03896	2.9
91.05457	5.0
93.03386	1.2
93.07046	0.6
94.04173	13.2
95.01311	0.7
95.04954	6.1
98.09694	0.6
103.05453	0.6
103.86230	0.5
105.03381	19.4
105.04501	1.8
105.07076	0.6
107.04928	2.9
109.02857	0.6
109.06512	9.1
111.04463	0.8
117.03389	3.2
119.04935	1.0
119.08525	1.0
121.02901	1.1
122.03620	9.5
123.04389	1.1
133.02837	22.2
135.04390	1.4
137.05969	15.2
137.06984	0.6
147.04375	1.9
149.02359	0.9
150.03093	19.2
151.03783	0.8
152.07033	0.7
161.02325	1.9
163.03758	0.6
164.04665	0.8
165.05460	22.0
175.03967	0.8
175.11172	0.6
175.12950	0.5
177.09123	0.6
178.02586	31.9
179.03339	5.7
193.04942	60.9
194.05286	1.3
202.73364	0.5
203.10654	0.6
205.15930	1.0
206.02075	29.4
221.04419	100.0
221.12814	1.5
221.15157	1.2
222.04794	1.9
222.98628	0.5
243.87579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0806
Annotation	Montadial A
Peak:m/z	Relative Intensity
50.60365	0.5
55.01863	3.3
55.05508	0.6
65.03893	0.6
66.30846	0.4
67.05496	2.1
68.99783	1.1
69.64104	1.2
70.06581	0.8
71.04976	0.6
72.08133	0.4
73.02895	0.4
75.52779	0.4
79.05480	4.1
81.07047	5.4
83.05003	0.4
91.05455	6.9
93.07037	1.0
95.04943	2.0
95.08582	0.9
98.09669	1.2
103.05447	1.7
105.07016	9.2
107.04936	6.5
108.03527	0.4
109.02856	0.5
109.06503	3.9
110.03632	0.6
115.05418	1.5
117.06990	1.8
118.04161	0.5
119.04950	1.5
119.08568	3.3
121.06530	2.6
121.10072	0.5
123.04399	3.4
124.03938	0.6
128.06187	2.4
129.06984	9.7
130.06490	2.7
131.04057	0.5
131.04912	2.6
131.08569	0.8
132.04427	1.1
132.05708	1.9
133.06441	1.3
133.10071	0.8
134.03532	0.5
135.04382	1.5
135.07999	0.6
137.05954	100.0
138.06328	2.3
145.06473	1.6
146.03609	0.8
147.04404	4.2
147.08023	6.8
147.11549	0.5
148.07494	0.5
149.05962	4.7
151.03880	5.3
151.07657	0.5
152.07053	0.9
157.06459	2.7
157.07585	0.6
158.05972	1.7
160.05173	13.2
160.06425	0.9
161.05963	17.1
161.07314	0.9
162.79796	0.5
163.03868	6.9
163.07576	1.2
165.01849	0.6
165.05450	25.3
172.05179	1.8
173.05902	1.0
175.07504	37.5
176.07082	1.6
191.07010	1.5
193.08607	2.3
203.06976	8.8
204.14555	0.9
205.15932	2.8
206.16177	1.1
220.17899	1.0
221.04362	1.0
221.08000	1.8
221.09508	0.8
221.12987	3.0
221.18144	0.5
239.50098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0807
Annotation	5,7-Dimethoxy-4-methylcoumarin
Peak:m/z	Relative Intensity
55.01871	0.4
57.04374	0.4
57.07054	0.5
67.05474	0.6
70.06579	3.1
70.10181	1.1
79.05479	3.3
81.07033	1.3
85.02905	0.4
91.05464	6.4
93.07012	1.4
95.04955	1.3
95.08581	0.6
98.09685	2.7
102.04625	0.6
104.06216	0.6
105.07007	1.3
106.06541	2.0
107.04924	1.6
107.08587	0.5
109.06480	1.3
109.10211	0.5
115.05436	4.4
117.07013	2.8
119.08559	2.0
121.06477	1.0
121.10139	0.6
121.40839	0.4
123.08025	0.5
124.03918	2.6
124.07511	0.4
130.04128	2.8
131.04881	0.4
131.47679	0.4
132.05646	0.7
133.06467	2.7
133.10133	0.8
134.06010	1.6
134.07236	3.0
135.04393	1.0
135.08026	2.2
145.06461	6.4
147.04391	1.8
147.08018	2.2
149.09607	0.9
152.07028	4.4
161.05966	1.3
162.06737	9.8
163.07481	0.5
165.05447	2.2
165.09137	0.5
176.10710	0.6
177.05423	1.3
177.09027	4.1
178.06190	1.8
189.05463	2.1
191.06941	2.8
203.11888	0.7
203.14378	0.4
204.10295	1.0
205.15858	0.9
206.05615	2.8
206.10878	1.1
206.16171	0.6
220.17943	0.5
221.08049	100.0
221.15247	1.3
222.08377	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0807
Annotation	2,6-Dioxo-6-phenylhexanoate
Peak:m/z	Relative Intensity
51.02369	1.6
51.33875	0.7
53.03933	2.1
55.01865	46.7
56.77937	0.7
65.03927	1.1
65.05869	0.6
67.05495	3.5
67.60406	0.7
69.03422	1.1
69.07720	0.7
70.06582	4.1
71.04971	0.9
73.02892	1.2
77.03923	2.5
78.17107	0.9
78.92769	0.7
79.05482	22.4
81.03404	2.7
81.07043	3.1
89.72594	0.7
91.05465	49.9
93.07030	15.7
95.04958	15.5
95.08604	0.9
98.09686	4.8
103.05453	21.1
104.06269	1.1
105.03378	8.1
105.04488	4.3
105.07011	8.2
106.06546	2.7
107.04939	16.0
107.08552	0.9
109.06478	1.6
110.06034	1.2
115.05431	4.9
116.06230	4.8
117.07005	3.7
119.04919	3.6
119.08572	11.6
120.08088	3.0
121.02898	1.7
121.06487	46.8
121.10097	1.1
123.04411	19.3
124.03949	4.1
128.06201	30.6
129.06989	100.0
130.06506	24.6
130.07318	1.7
130.22231	0.7
131.04904	9.4
131.08546	39.1
132.04517	4.2
132.05678	3.4
133.02832	29.3
133.06487	5.5
133.10115	1.4
134.05972	2.7
135.04419	2.2
135.08058	1.1
137.05954	13.6
141.06941	3.9
144.05678	2.3
145.06468	6.4
147.04332	1.9
147.08026	39.3
148.07504	6.8
148.08554	1.2
149.02313	3.9
149.05957	15.9
151.03883	17.3
152.07024	6.3
155.06012	5.3
157.06468	94.6
158.05911	8.4
158.06851	1.1
159.08041	5.8
160.05144	3.0
161.05930	5.4
163.03880	1.0
165.05440	4.0
175.07513	35.8
176.07011	16.5
176.10809	1.0
177.09094	8.8
185.05898	7.7
193.08563	6.7
203.07016	9.1
203.11789	1.2
204.10219	1.8
205.15930	1.8
206.16173	0.7
221.06009	1.7
221.07971	9.8
221.12848	14.5
221.15291	1.2
222.08151	1.1
242.38174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
53.44800	0.6
53.71774	0.5
55.01867	46.5
56.96553	0.6
59.49036	0.5
65.03931	1.4
67.05498	2.1
68.99781	0.8
69.69114	0.5
70.92391	0.6
77.03912	2.9
79.05484	18.3
81.03415	2.0
84.95390	0.5
91.05470	45.1
92.05813	0.9
93.07036	14.8
93.07596	1.0
95.04954	13.2
98.09695	0.6
103.05460	19.9
105.03379	7.2
105.04489	3.2
105.07010	5.6
107.04946	11.3
109.06432	0.8
115.05428	5.4
116.06258	4.6
117.07016	4.5
119.04927	3.3
119.08569	10.8
121.06493	43.5
122.06845	0.7
123.04417	18.2
127.05456	1.0
128.06209	29.1
129.06990	100.0
129.12727	0.6
130.07324	1.3
131.04904	8.9
131.08554	35.7
132.05699	3.7
132.08945	0.9
133.02834	29.7
133.06468	5.6
134.03131	0.6
135.08038	0.6
137.05913	0.7
141.06979	3.7
144.05688	2.7
145.06488	4.3
147.08032	37.8
148.08487	0.6
149.02344	3.6
149.05954	14.4
151.03894	16.9
152.07072	0.8
155.04883	0.8
155.06027	5.8
157.06471	91.9
158.06981	1.9
159.08005	6.3
160.05222	1.5
160.08505	0.6
161.05911	4.4
169.07608	0.7
175.07520	24.4
177.09108	1.4
185.05965	9.0
193.08571	5.4
203.07001	9.4
205.15913	0.7
208.63800	0.6
221.06007	0.8
221.07997	9.7
221.12811	2.6
239.36162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.96581	1.8
57.07075	1.1
62.27081	0.7
67.97201	0.6
69.40113	2.2
70.06589	5.8
72.08189	0.8
79.05487	3.1
81.07074	2.4
82.02956	1.8
90.01677	0.6
91.05455	1.6
93.23627	0.6
94.06560	4.4
95.04965	1.0
95.08614	0.8
96.04504	0.9
98.09686	5.0
98.97588	0.7
103.05486	0.9
106.06535	3.2
107.04973	2.2
109.06542	0.7
110.06013	0.8
115.05485	1.2
119.08596	1.6
120.08144	1.0
124.03950	5.1
128.06209	2.3
129.06993	4.0
130.06519	56.8
131.06940	0.9
132.04436	40.6
133.04823	0.8
133.10075	0.9
134.06052	2.1
135.04434	1.9
137.05930	0.8
138.51082	0.7
145.10124	0.8
146.06046	0.7
147.04475	0.9
147.08072	1.2
147.09193	1.0
148.07579	0.9
152.07053	6.0
155.05959	0.6
157.06462	2.7
157.07594	26.5
158.05998	71.2
159.06299	1.1
161.05948	1.3
161.10783	2.1
175.08659	100.0
176.07066	2.2
176.08946	2.1
176.10593	0.9
177.12785	0.9
185.05888	1.1
186.05559	1.4
197.01149	1.0
203.06799	4.8
203.11700	3.7
204.06448	3.6
204.10164	1.5
205.15923	3.4
206.16151	2.0
215.02226	1.4
220.17856	2.0
221.04359	0.9
221.09303	19.5
221.12811	29.2
221.18651	0.8
222.13152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.96548	1.9
57.07066	0.9
62.03447	0.5
67.05497	0.5
69.85089	1.4
70.06591	2.3
71.04964	0.7
72.04488	0.7
72.08130	1.5
74.02415	1.0
77.03952	0.7
79.05468	1.4
81.07036	0.7
82.02913	2.1
90.05556	3.0
91.05866	1.6
93.06979	0.6
94.06558	4.7
95.04967	0.9
95.08581	0.5
98.09664	1.2
98.97553	1.7
102.83701	0.5
103.05434	0.6
104.04975	0.7
105.07004	0.8
106.06519	0.9
107.04944	0.5
115.05445	1.3
116.98598	0.9
119.01891	1.2
119.08572	0.6
120.08092	1.0
121.01648	0.8
121.06403	0.7
121.97385	0.5
124.03889	0.5
130.06509	69.7
131.06827	1.2
132.04431	43.3
133.03494	2.3
134.05945	0.6
134.99593	0.7
135.04404	0.6
137.05975	2.6
147.04369	0.8
147.08006	0.7
147.09120	1.1
148.07553	2.8
149.02409	0.5
149.06618	1.0
151.04567	2.2
152.06992	1.1
156.97458	1.5
157.07588	32.6
158.05991	82.2
159.06325	1.8
159.09071	0.6
161.05937	2.5
162.11525	0.6
163.03835	0.8
174.98546	2.1
175.04622	3.9
175.08644	100.0
176.07043	2.2
176.08981	1.5
179.00555	0.5
185.07072	1.0
186.05460	1.8
193.05054	0.4
198.06085	0.5
203.08180	10.5
203.11098	1.2
204.06548	3.7
204.10355	0.5
205.15881	2.0
206.16209	1.3
216.99553	1.2
220.17851	1.5
221.01059	0.5
221.09210	18.7
221.12790	12.8
221.15106	0.5
222.09531	0.8
222.11389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.01924	1.9
55.05541	0.7
57.07116	0.6
58.88975	0.4
65.03989	0.9
66.57397	0.4
67.05546	1.0
67.24897	0.4
69.03493	0.6
70.06648	1.2
71.05032	0.9
79.05479	3.9
79.33706	0.4
79.36088	0.4
81.07114	0.8
83.05032	0.4
91.04939	0.7
91.05464	12.9
92.06287	0.4
93.07079	1.2
95.05019	1.6
97.06576	0.6
98.09753	1.2
103.05445	2.0
104.06268	2.6
105.03437	0.9
105.07026	6.8
106.06609	0.8
107.04966	3.9
107.08627	0.6
109.06547	1.1
111.02944	0.5
115.05441	12.0
116.06274	1.5
117.07011	18.1
119.04920	2.6
119.08580	3.7
121.06506	5.1
121.10105	0.5
123.04411	1.0
124.03972	1.3
128.06213	14.8
129.07019	6.2
130.06648	0.5
130.07805	1.2
131.04930	4.1
131.08557	2.6
132.05708	5.5
133.02815	2.2
133.06491	3.9
133.10130	1.0
134.07303	1.0
135.04456	0.8
135.08018	2.1
137.05975	3.5
141.07007	1.0
142.07767	1.0
143.04984	0.8
143.08551	8.9
144.05739	1.4
145.06483	10.3
145.07526	0.6
145.10141	2.1
146.07251	7.0
147.04396	2.5
147.08046	8.9
149.05960	2.1
149.09625	1.9
151.03911	0.5
151.47110	0.5
152.07066	1.2
153.07002	0.8
155.06015	1.3
157.06485	3.9
158.07253	1.3
159.04375	3.1
159.08051	3.0
160.05196	5.8
160.08806	5.2
161.05972	4.8
161.09605	7.2
161.13243	0.5
162.06750	11.5
163.07555	1.8
164.08235	0.8
165.05563	0.5
165.06894	0.7
165.09091	2.2
170.07260	0.6
171.07999	4.3
172.08798	1.2
173.05988	1.7
173.09634	0.6
174.06772	2.7
175.07530	100.0
175.11105	12.4
176.07867	1.8
177.09100	24.6
179.07010	1.3
185.09514	0.6
187.07510	0.9
188.08313	5.3
189.02988	0.5
189.08858	0.4
191.10663	0.5
193.08498	1.6
193.12215	0.6
203.10632	27.6
206.16167	1.1
221.11638	44.2
222.11867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49364	0.1
55.05499	0.3
58.14220	0.1
60.50500	0.1
67.05485	0.3
69.07051	0.3
70.06564	0.3
70.84451	0.1
71.04973	0.4
79.05492	0.7
81.07043	1.3
83.08619	0.2
83.27028	0.1
91.05450	1.3
93.07033	1.1
95.04952	0.2
95.08599	0.7
97.79916	0.1
98.09711	0.2
103.05428	0.2
104.54136	0.1
105.07014	1.1
106.06509	0.2
107.04939	0.2
107.08566	1.2
109.06470	0.2
109.10136	0.5
115.05432	1.2
116.06203	0.8
117.06170	0.3
117.07004	5.0
118.07392	0.1
119.04895	0.4
119.08562	0.9
120.05727	0.1
121.06485	0.3
121.10117	0.2
123.08088	0.1
123.11644	0.3
124.03918	0.3
126.10089	0.1
127.11200	0.1
128.06216	1.2
129.05125	0.1
129.07045	0.2
131.04932	0.1
131.08620	0.1
132.05701	0.2
133.06491	0.8
133.10104	0.7
134.06160	0.2
134.07237	1.1
135.04420	0.1
135.08031	0.8
135.11678	2.0
143.08551	1.0
144.05676	0.7
145.06474	0.8
145.10074	0.1
146.07217	0.1
147.04407	0.3
147.08020	0.3
147.11652	0.6
149.09621	0.4
149.13208	0.2
152.07042	0.4
155.06012	0.2
160.05151	0.3
161.05913	0.6
161.09691	0.2
161.13248	0.6
162.06741	5.3
163.07103	0.2
165.06992	0.1
171.08055	0.6
175.07523	2.7
175.14879	0.2
177.09084	100.0
178.07869	0.1
178.09435	2.1
203.10645	0.5
203.14355	0.1
203.17966	0.7
221.06038	0.2
221.09476	0.2
221.12907	0.5
221.15359	0.2
221.17067	1.0
221.19171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1282
Annotation	Phenylacetylglycine dimethylamide
Peak:m/z	Relative Intensity
58.06687	0.3
67.62324	0.2
70.03097	0.5
70.06582	6.1
72.08111	0.3
77.03912	0.4
79.05508	1.4
79.05865	0.3
81.07036	0.5
90.05534	0.3
91.05469	0.4
91.25993	0.3
94.53696	0.2
96.04455	0.3
97.47701	0.2
98.09683	2.1
98.22767	0.3
106.06529	2.0
107.04941	1.0
124.03928	1.3
130.06480	0.3
134.05943	1.4
134.08392	0.3
134.09644	0.3
135.04370	1.3
135.09142	1.3
142.30309	0.3
147.09134	0.3
152.07040	2.9
157.07639	0.3
158.09590	1.3
159.10387	0.3
161.10721	8.8
163.08655	1.0
164.09494	1.3
173.10703	0.6
174.11653	0.3
175.08621	1.0
175.12277	5.2
176.10704	0.6
177.10272	0.4
179.11787	0.4
185.10724	2.4
186.09113	1.0
193.13440	0.3
201.10242	2.2
201.11960	0.4
203.11761	11.6
204.10143	0.7
204.12135	0.6
221.12814	100.0
222.13179	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	221.1533
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03938	1.8
55.01859	5.3
55.05508	16.6
57.07067	3.4
65.03938	1.5
67.05491	19.0
69.07062	14.1
69.44474	1.8
69.44810	6.4
70.06583	13.8
71.04993	10.7
79.05482	47.2
81.07045	34.2
83.04987	2.2
83.08617	3.1
85.02925	1.5
85.06529	4.0
87.04448	2.2
91.05468	60.5
93.07031	39.6
93.07499	0.9
95.04955	7.3
95.08598	19.4
97.06516	2.0
98.09682	13.3
98.22646	3.0
103.05444	2.6
105.04478	3.6
105.07018	98.5
106.06528	8.2
107.04933	8.7
107.08588	31.7
109.06508	6.6
109.10152	7.5
110.06052	2.1
111.08096	1.6
117.06997	13.2
119.08566	90.1
121.06496	4.6
121.10133	14.5
123.08059	4.3
123.11681	2.7
124.03951	11.7
128.06204	3.0
129.07007	12.6
131.08553	8.2
133.06471	4.0
133.10107	32.4
134.06018	5.9
135.04402	5.8
135.08055	6.2
135.11690	3.4
137.09616	4.2
143.08546	13.1
145.06467	1.6
145.10127	3.5
147.08023	25.0
147.11664	18.3
149.09621	1.9
151.07550	2.6
152.07040	15.1
157.10114	5.7
159.11670	15.7
161.09601	19.0
161.13237	100.0
162.04283	1.4
162.05510	6.5
163.14774	3.0
165.09097	8.1
175.11095	10.0
175.14754	9.4
176.10724	1.5
179.10678	5.0
185.13229	21.8
203.14272	34.8
203.16040	2.7
203.17828	8.1
204.10205	3.6
206.16296	2.0
221.09563	2.6
221.12877	30.8
221.15353	48.1
221.18962	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03951	2.5
55.01860	3.3
55.05505	10.7
55.75978	1.6
57.07070	5.2
65.03921	1.7
67.05502	13.0
69.07063	18.5
69.37176	7.9
70.06574	6.1
71.04989	14.6
74.36850	1.8
79.05480	19.5
81.07048	56.4
83.04964	4.6
83.08601	5.0
85.06528	3.5
91.05460	13.7
93.07043	29.6
94.07375	1.6
95.04974	5.9
95.08597	33.3
96.04482	2.1
97.06530	3.5
97.10167	1.8
98.09676	6.0
98.20638	1.8
99.08083	6.3
105.07011	29.4
106.06557	4.5
107.04939	4.6
107.08582	42.1
109.06525	3.8
109.10142	23.9
111.04504	2.5
111.08089	2.9
115.05418	3.3
117.07020	6.8
118.06508	2.7
119.04873	1.9
119.08571	31.6
121.06516	12.8
121.10146	13.4
123.08024	4.2
123.11700	11.9
124.03954	8.7
124.07581	2.7
125.09595	3.9
127.11124	2.6
128.06183	3.2
129.07036	1.6
131.08562	2.8
133.06465	3.0
133.10106	19.5
134.06049	3.0
134.07257	1.8
135.04437	2.9
135.08081	2.0
135.11676	58.0
137.09613	5.5
137.13274	2.4
138.09135	5.3
143.08531	2.9
145.10107	4.7
147.08055	4.5
147.11673	19.1
149.13287	5.2
151.11176	3.4
152.07085	8.6
159.11676	1.9
161.05981	7.7
161.13219	14.5
162.06752	5.1
163.14784	4.7
165.06953	2.4
165.12744	2.7
175.07539	4.9
175.14798	7.1
177.09094	100.0
177.14682	7.3
177.16214	2.3
178.09442	3.3
191.12503	1.7
193.04848	1.7
193.08435	2.5
203.14294	4.6
203.17932	26.8
206.16226	2.7
221.06105	2.7
221.07846	3.0
221.09746	2.1
221.13081	19.2
221.15297	6.0
221.17255	27.1
221.19012	38.6
239.09511	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01860	3.3
55.05505	10.7
55.75978	1.6
57.07070	5.2
65.03921	1.7
67.05502	13.0
69.07063	18.5
69.37176	7.9
70.06574	6.1
71.04989	14.6
74.36850	1.8
79.05480	19.5
81.07048	56.4
83.04964	4.6
83.08601	5.0
85.06528	3.5
91.05460	13.7
93.07043	29.6
94.07375	1.6
95.04974	5.9
95.08597	33.3
96.04482	2.1
97.06530	3.5
97.10167	1.8
98.09676	6.0
98.20638	1.8
99.08083	6.3
105.07011	29.4
106.06557	4.5
107.04939	4.6
107.08582	42.1
109.06525	3.8
109.10142	23.9
111.04504	2.5
111.08089	2.9
115.05418	3.3
117.07020	6.8
118.06508	2.7
119.04873	1.9
119.08571	31.6
121.06516	12.8
121.10146	13.4
123.08024	4.2
123.11700	11.9
124.03954	8.7
124.07581	2.7
125.09595	3.9
127.11124	2.6
128.06183	3.2
129.07036	1.6
131.08562	2.8
133.06465	3.0
133.10106	19.5
134.06049	3.0
134.07257	1.8
135.04437	2.9
135.08081	2.0
135.11676	58.0
137.09613	5.5
137.13274	2.4
138.09135	5.3
143.08531	2.9
145.10107	4.7
147.08055	4.5
147.11673	19.1
149.13287	5.2
151.11176	3.4
152.07085	8.6
159.11676	1.9
161.05981	7.7
161.13219	14.5
162.06752	5.1
163.14784	4.7
165.06953	2.4
165.12744	2.7
175.07539	4.9
175.14798	7.1
177.09094	100.0
177.14682	7.3
177.16214	2.3
178.09442	3.3
191.12503	1.7
193.04848	1.7
193.08435	2.5
203.14294	4.6
203.17932	26.8
206.16226	2.7
221.06105	2.7
221.07846	3.0
221.09746	2.1
221.13081	19.2
221.15297	6.0
221.17255	27.1
221.19012	38.6
239.09511	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05302	1.5
55.05506	16.1
57.07053	5.9
58.31869	1.7
59.04982	1.6
60.06567	1.4
65.03896	1.8
67.05219	1.4
67.05501	17.2
69.06715	2.0
69.07061	36.0
69.43799	7.5
70.06580	2.1
71.04977	6.7
79.05484	17.0
81.06564	2.8
81.07047	53.0
83.08617	12.6
85.06509	2.4
85.10162	1.6
91.05460	11.8
93.07031	28.4
93.17753	1.3
95.04951	3.6
95.08595	68.2
97.06517	3.6
97.10143	7.6
99.08057	4.4
105.07014	33.5
106.06535	2.4
107.04935	2.6
107.08582	43.4
109.06496	6.9
109.09428	2.1
109.10147	37.4
111.08049	2.6
111.11684	1.9
112.05282	1.5
119.08564	35.0
121.10130	20.6
122.41090	1.3
123.08046	4.6
123.11705	14.3
124.03928	4.3
125.09602	10.9
130.44971	1.5
131.08516	1.8
133.10121	23.9
134.06064	1.4
135.07988	2.7
135.11699	8.5
137.05937	1.6
137.09584	4.0
137.13237	3.2
139.11140	5.4
140.77777	1.4
145.10135	3.1
147.11665	41.2
149.13217	4.0
151.11137	6.5
152.07019	6.3
153.12679	2.3
159.11638	2.1
161.06049	1.5
161.09615	1.8
161.13254	19.3
163.14795	17.1
165.12714	6.7
175.14803	13.8
177.16408	8.7
179.14198	1.9
179.51923	1.6
192.37512	1.6
203.17924	100.0
204.18336	2.7
206.16199	2.1
221.09389	2.4
221.13075	8.6
221.15370	4.4
221.18970	61.0
234.01234	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	2.3
55.01866	2.5
55.05504	14.8
57.07067	7.8
58.07396	2.6
67.05497	15.0
69.03410	2.5
69.07058	11.9
69.88223	4.4
70.06574	6.5
71.04983	17.4
71.06917	5.5
71.08634	2.2
72.08962	2.0
73.45471	1.7
77.03924	2.9
79.05486	16.3
81.07047	62.9
82.07372	2.0
83.04957	3.6
83.08612	5.7
85.06534	3.8
88.07625	7.4
89.07950	5.7
90.08038	2.2
91.05466	15.9
91.08362	2.3
93.07035	40.1
94.04181	1.9
95.04951	4.8
95.08594	35.5
97.06546	2.7
97.10096	3.0
99.08099	4.4
104.95313	1.6
105.03385	3.7
105.07020	28.2
107.04964	2.1
107.08579	66.0
108.09095	4.1
109.06516	7.6
109.09457	2.7
109.10142	23.6
111.08085	3.2
111.11678	1.9
115.05444	2.7
117.06998	2.3
119.08565	43.6
121.06496	2.1
121.10125	12.9
122.03660	2.8
123.08040	5.3
123.11699	19.3
125.09597	2.6
127.11171	5.6
131.04980	2.1
131.08565	4.2
133.02849	23.4
133.06476	5.0
133.10120	27.3
135.08011	2.2
135.11679	97.3
136.12018	2.0
137.05933	9.4
137.09598	6.3
137.13260	2.4
143.08522	2.3
145.06519	2.0
145.10135	2.8
147.04390	2.5
147.08008	2.3
147.11673	22.1
149.02315	1.9
149.13248	7.7
150.03098	12.1
151.07477	1.9
151.11206	3.1
159.11748	2.6
160.05136	3.0
161.02370	1.9
161.05969	7.8
161.13231	15.5
162.06712	2.3
163.07576	1.7
163.14822	5.5
165.05476	18.4
165.06837	2.8
165.12755	3.0
175.07544	6.2
175.14819	3.7
177.09070	16.8
178.02684	2.1
193.04942	7.5
193.08577	2.0
203.06964	2.7
203.14265	2.2
203.17958	32.9
203.20985	5.6
206.02054	2.0
206.16211	2.1
221.04396	26.7
221.06186	2.2
221.07877	3.0
221.11549	2.7
221.15395	6.1
221.18977	44.6
221.21994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05502	12.8
57.07058	5.6
67.05502	12.9
69.07059	14.3
69.08048	9.0
70.06577	2.0
71.04982	22.5
71.06934	1.4
79.05485	19.7
81.07048	66.8
83.04984	2.1
83.08610	5.0
85.06530	2.3
91.05463	13.2
92.96100	1.6
93.06442	2.4
93.07035	43.0
95.04950	3.3
95.08593	33.5
95.09206	2.1
97.06503	3.8
97.10147	3.4
98.09677	1.8
99.08085	5.0
105.07018	25.7
107.08577	64.7
109.06507	3.6
109.10134	29.1
111.08072	1.8
113.09661	3.0
117.06998	1.9
117.42604	1.3
119.06086	1.4
119.08566	37.0
121.10143	13.4
123.08060	3.3
123.11683	20.3
125.09620	2.3
127.11205	4.7
131.04935	1.3
131.08563	1.9
133.10106	23.0
135.11679	100.0
136.12009	2.1
137.05980	1.2
137.09592	4.3
137.13237	3.7
138.91823	1.4
145.10114	1.7
147.08047	1.5
147.11668	21.8
149.13255	9.3
151.03920	8.2
151.11165	3.0
152.07115	2.4
153.05386	1.7
161.06017	1.9
161.13216	13.3
163.14807	5.8
165.12715	3.3
175.07491	2.5
175.14827	4.7
177.09106	6.0
177.16354	2.2
191.07014	3.1
203.17961	32.5
206.16167	1.3
221.12881	4.8
221.18985	59.2
221.22025	8.7
222.19298	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	1.1
55.05500	9.7
57.03418	0.9
57.07062	3.3
57.99946	0.9
59.04980	1.5
60.49859	0.9
65.03939	1.1
67.05496	10.3
67.18965	0.8
69.07060	11.2
70.06573	3.8
70.59722	1.0
70.60048	1.1
71.04977	17.0
75.89565	1.0
77.03920	1.0
79.05481	17.3
81.06561	2.4
81.07043	45.4
83.04945	2.4
83.08612	5.3
85.06565	2.3
87.54066	0.8
91.05465	9.9
93.07028	33.7
95.04932	3.2
95.08592	27.5
97.06526	2.1
97.10143	1.8
98.09653	5.4
98.22781	0.9
99.08061	3.2
105.06335	1.7
105.07011	22.0
105.93762	0.9
106.06534	2.9
107.04913	1.3
107.08575	56.5
108.08894	1.2
109.06528	5.1
109.10136	19.8
111.08051	3.0
111.11716	1.1
119.06040	1.1
119.07735	1.9
119.08565	32.0
121.10138	8.9
123.08015	1.9
123.11678	16.4
124.03907	3.9
125.09618	1.4
127.11119	4.5
131.08536	1.1
133.10106	21.8
134.06006	1.6
135.11670	100.0
136.12013	2.3
137.09576	3.2
137.13245	3.0
139.11198	1.5
145.10101	3.3
147.11659	16.5
149.13248	6.3
151.11153	3.7
152.07027	4.7
153.12698	1.5
159.11656	1.4
160.12503	1.4
161.05946	1.2
161.13242	10.6
163.14787	4.3
165.12825	2.2
175.14755	2.3
177.16342	1.1
203.11894	1.1
203.14864	1.0
203.17912	32.5
221.12991	9.2
221.15285	3.3
221.18965	45.3
222.19281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03929	4.6
55.01856	7.6
55.05501	33.4
57.07065	8.0
59.04991	3.7
59.69876	2.4
65.03971	2.4
67.05495	44.8
69.03412	2.9
69.07058	59.2
69.30256	13.7
70.06575	25.8
71.04982	10.9
77.03910	3.5
77.72154	2.4
79.05479	49.3
81.07046	100.0
82.06566	2.6
83.04968	16.7
83.08624	14.9
85.06528	4.6
85.10197	2.4
91.05450	28.8
93.07030	69.7
95.04944	11.7
95.08590	75.6
96.04445	3.5
97.06514	10.3
97.10157	13.6
98.09673	19.1
99.08089	4.7
105.03349	2.6
105.04506	2.6
105.07015	60.2
106.06521	16.5
107.04939	13.6
107.08581	79.1
109.06520	16.3
109.10140	75.7
111.08074	11.4
111.11702	5.2
117.07024	4.2
119.08559	53.2
121.06487	5.1
121.10136	31.8
122.06003	3.9
123.08064	15.3
123.11683	19.2
124.03925	16.7
125.09615	9.5
129.06953	4.5
131.08522	5.4
133.10118	39.7
134.05983	10.2
135.04370	11.9
135.08096	5.1
135.11674	29.6
137.09618	9.0
137.13260	6.3
139.11153	6.2
143.08611	4.7
145.10109	9.0
147.08067	5.0
147.11679	46.4
149.13264	5.0
151.07545	4.4
151.11208	11.2
152.07057	38.2
159.11685	7.7
161.09622	5.1
161.13226	47.9
163.11156	4.6
163.14812	17.2
165.09103	4.7
165.12738	6.4
175.14781	18.7
176.15707	2.6
177.16371	6.4
179.14310	4.6
185.13289	6.1
193.47380	2.2
203.12074	2.4
203.14276	13.0
203.17912	77.2
204.10158	6.1
204.18387	2.8
206.16138	5.7
219.09044	2.7
221.09552	5.1
221.12856	67.7
221.15364	33.4
221.18939	64.1
226.38609	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	221.1899
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03952	3.2
55.05510	22.2
57.07073	7.3
60.77534	3.9
67.05498	24.2
69.07066	27.9
70.06599	8.0
71.04981	19.8
72.44421	3.2
79.05489	34.3
81.03433	3.6
81.07051	97.0
83.04965	8.0
83.08586	8.6
91.05439	18.2
93.07041	62.2
95.04980	8.6
95.08598	50.0
97.06523	7.9
98.09699	7.0
98.22607	6.4
99.08073	5.7
105.07031	53.6
106.06558	5.7
107.04930	4.6
107.08587	77.2
109.06514	6.5
109.10160	47.3
111.08115	6.2
115.05445	4.8
117.06998	6.7
119.08566	61.6
121.06527	4.6
121.10139	24.3
123.11699	23.0
124.03959	5.7
127.11186	5.9
133.06519	6.4
133.10132	44.0
135.08076	4.8
135.11685	100.0
137.09613	12.5
137.13292	5.0
139.11252	4.3
147.08124	4.7
147.11674	36.9
149.13268	14.3
151.11180	6.0
152.07066	12.5
161.05980	9.2
161.09590	4.9
161.13203	18.7
163.14822	13.1
165.06961	4.1
165.12569	4.3
175.14812	10.9
177.09088	37.6
177.12737	43.2
177.16307	5.9
203.17926	48.9
204.10252	3.7
206.16316	5.3
221.09309	7.9
221.12856	18.8
221.15337	8.0
221.18976	81.7
240.04794	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	222.076
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
53.85536	0.3
55.01863	1.6
55.05504	0.4
56.02202	0.4
69.03416	0.4
69.35133	0.3
69.35444	1.6
73.02937	0.3
78.52513	0.3
79.05481	0.6
80.05834	0.5
81.03412	0.4
81.07062	0.4
88.09475	0.3
89.65420	0.3
91.05479	1.4
92.05798	1.1
93.07037	0.9
94.06554	0.4
95.04954	0.7
97.02866	0.4
98.09686	0.3
98.22721	0.4
103.05463	1.2
104.05056	0.4
104.05767	0.4
105.07011	0.7
105.58881	0.3
106.06561	0.6
107.04970	0.4
107.08567	0.4
115.05449	0.7
118.06516	0.7
120.08093	12.2
120.08844	0.4
121.06493	1.1
122.06830	1.6
123.04370	0.4
128.06175	0.4
129.06523	0.5
130.06506	100.0
130.07263	4.0
131.06796	2.0
132.04433	17.7
132.08905	1.2
138.06317	0.4
146.05986	0.8
147.07953	0.4
148.07530	27.5
149.05911	0.4
149.09576	0.6
150.06248	0.4
158.05945	29.7
159.06284	0.5
175.07413	0.3
176.07034	85.1
177.07373	1.0
178.09404	1.1
181.71767	0.3
188.91643	0.3
204.06392	1.9
205.12276	0.5
221.12762	0.4
222.07558	5.6
222.11172	0.6
223.13206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05504	3.5
55.78472	0.3
56.67955	0.3
61.75878	0.3
62.75476	0.3
67.05513	0.5
69.03364	0.3
70.06591	1.0
71.04994	0.5
71.43687	0.4
77.03923	0.5
79.05505	0.8
81.03425	0.4
83.08611	5.1
91.05479	1.3
93.07036	1.5
93.24574	0.3
95.04952	0.6
95.08585	0.4
98.09701	0.6
99.10011	0.6
101.09631	0.6
103.05448	1.9
105.00078	0.4
105.04549	0.4
105.07024	0.5
105.20341	0.3
106.06532	1.2
107.04913	0.7
115.05451	0.5
117.07053	0.4
118.06509	0.9
120.08090	11.6
121.06492	12.6
122.06020	0.4
124.03934	0.5
130.06512	100.0
131.06866	1.8
132.04436	15.5
134.06000	0.7
146.05952	0.7
148.07552	28.2
148.11183	0.9
149.02307	0.6
149.05910	0.6
149.07870	0.6
152.07063	1.0
153.07387	0.7
157.48143	0.4
158.05997	31.8
159.06335	0.6
162.05472	0.5
166.06502	1.3
175.11812	0.4
176.07045	88.1
177.07349	1.6
177.08946	0.4
178.09389	1.2
204.06526	1.3
204.10158	0.8
205.08821	0.8
221.12750	0.7
222.05559	0.8
222.07512	5.3
222.11198	4.0
222.13148	2.7
222.15079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0598
Annotation	2-Hydroxy-7-hydroxymethylchromene-2-carboxylate
Peak:m/z	Relative Intensity
52.70956	0.1
53.03947	0.2
55.01855	0.2
55.22218	0.1
63.02398	0.2
67.01861	0.2
68.99770	0.2
69.74843	0.6
72.58072	0.2
77.03931	0.4
78.04694	0.6
79.05478	0.4
83.01318	0.4
89.03893	0.7
90.04681	0.3
91.05469	1.6
93.07046	0.8
95.04943	0.7
103.05460	1.1
105.03371	0.3
105.04494	0.3
105.07018	0.2
106.04161	2.3
107.04963	0.2
108.83188	0.1
117.03355	1.2
118.04156	1.5
119.04932	0.5
121.02814	0.2
121.06490	4.1
131.04893	1.2
132.05795	0.2
134.03618	3.9
134.04567	0.3
135.04309	0.2
145.02826	1.3
146.03587	0.3
147.04376	0.5
149.05963	3.8
152.69949	0.2
159.04422	0.4
160.05238	0.3
162.03098	10.6
163.03822	0.7
175.03815	0.2
177.05463	3.8
190.02585	5.2
190.32849	0.2
194.79341	0.2
205.04935	100.0
206.05292	2.2
223.06018	1.4
229.85951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91932	0.1
53.03935	0.2
54.47068	0.1
55.01860	0.4
55.05492	0.2
57.02479	0.1
57.03428	0.1
57.07045	0.1
65.03944	0.3
67.05498	0.2
68.99794	0.3
69.03413	0.4
69.07069	0.1
71.04967	0.2
77.03925	0.2
78.04691	0.6
79.05486	0.8
81.03419	0.2
81.07046	0.2
81.11105	0.1
83.01325	0.4
83.04959	0.3
87.76598	0.1
89.03912	0.8
90.04662	0.5
91.05475	2.6
93.03404	0.2
93.07036	1.3
95.04956	1.2
95.08582	0.2
97.02878	0.4
97.06478	0.1
103.05456	1.5
105.03374	0.3
105.04501	0.4
105.07042	0.6
106.04168	3.0
107.04933	0.5
107.08587	0.3
109.02864	0.1
109.06489	0.5
109.10179	0.1
115.05470	0.2
117.03388	0.9
117.07034	0.2
118.04148	2.2
119.04932	0.6
119.08548	0.3
121.02851	0.3
121.06489	5.2
121.10126	0.3
123.04419	0.3
123.08074	0.2
124.05235	0.2
131.04919	1.8
131.08566	0.2
133.06459	0.3
134.03616	4.3
135.04425	0.6
135.08022	0.2
135.11746	0.2
137.06030	0.1
139.07538	0.2
145.02832	1.5
145.10121	0.2
146.03706	0.2
147.04442	0.5
147.07999	0.2
149.02319	0.9
149.05962	4.4
149.09624	0.3
149.13161	0.1
151.03912	0.1
151.07515	0.1
159.04399	0.3
159.08092	0.1
159.11678	0.4
160.05125	0.2
161.02304	0.1
161.05945	0.3
161.13234	0.1
162.03105	11.8
163.03870	0.8
163.07544	0.2
163.11195	0.3
167.07062	0.1
175.03935	0.3
176.04648	0.1
177.05450	3.8
177.09055	0.2
177.12709	0.2
181.05034	0.2
185.31294	0.1
187.11292	0.1
190.02586	6.2
205.04938	100.0
206.05289	2.4
208.03586	0.2
211.51323	0.1
214.37999	0.1
223.05972	2.1
223.09436	0.2
223.13118	0.8
223.16855	0.2
225.04240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0598
Annotation	2-Hydroxy-7-hydroxymethylchromene-2-carboxylate
Peak:m/z	Relative Intensity
53.03926	0.3
55.01844	0.4
65.03934	0.2
67.05483	0.2
68.99770	0.3
69.03397	0.3
78.04694	0.7
79.05475	0.5
81.07048	0.2
83.01331	0.5
86.77128	0.2
89.03906	0.6
90.04655	0.3
90.74258	0.2
91.05453	2.3
93.07018	1.2
95.04951	1.0
97.06495	0.2
103.05447	1.4
105.03353	0.4
105.04460	0.3
105.06991	0.7
106.04156	3.2
107.04932	0.4
107.08566	0.3
109.06490	0.3
117.03372	0.9
118.04132	1.6
119.04928	0.7
119.08542	0.2
121.02843	0.4
121.06486	4.7
121.10072	0.2
123.04375	0.2
126.16639	0.2
131.04895	1.8
131.08458	0.2
133.06433	0.2
134.03610	4.0
135.04350	0.4
145.02814	1.5
145.10036	0.2
146.03568	0.2
147.04385	0.6
147.08020	0.2
149.02307	0.6
149.05954	4.2
151.88885	0.2
159.04427	0.4
159.07957	0.2
160.05167	0.3
161.05972	0.3
162.03087	12.1
163.03799	0.6
163.07510	0.2
163.11191	0.2
164.38202	0.2
165.05431	0.2
177.05432	3.8
177.09087	0.2
190.02565	6.0
192.52469	0.2
205.04919	100.0
206.05280	2.2
223.05981	2.5
223.09352	0.2
223.13271	0.5
225.04282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03911	0.3
55.01869	0.3
55.05490	0.5
57.07045	0.4
65.03915	0.4
67.05508	1.4
69.03429	0.6
69.18446	1.7
71.04961	0.3
75.80109	0.3
77.03906	0.5
78.04697	3.9
79.05491	2.9
81.03414	0.6
81.07038	1.2
82.70235	0.2
83.04973	0.3
89.03921	0.5
91.05453	1.7
93.07038	1.8
95.04959	1.8
95.08575	1.3
97.02851	0.8
103.05425	0.5
105.03379	1.2
105.04492	0.4
105.07009	0.8
106.04157	2.7
107.04941	17.9
107.08577	1.4
109.02853	0.6
109.06515	0.5
109.07195	0.3
109.10160	0.5
114.37170	0.3
117.03363	0.4
117.06958	0.4
118.04155	0.7
119.04923	0.6
119.08549	0.6
121.02837	0.3
121.06465	0.9
121.10117	0.8
122.03674	0.5
123.04408	0.7
123.08040	0.4
131.08563	0.5
133.02827	1.1
134.03616	6.0
135.03458	0.4
135.04402	6.2
135.08070	0.3
135.11633	0.3
139.07515	0.3
145.02884	0.4
145.03935	1.3
145.10075	0.4
149.02307	2.1
149.05948	0.6
150.03134	0.3
151.03894	0.5
152.04668	0.7
159.08023	0.5
159.11674	0.3
161.02322	1.1
161.03877	0.2
162.03094	26.1
163.03880	10.6
163.14771	0.4
165.01791	0.8
165.05463	0.4
167.07036	1.4
177.05519	0.7
177.09073	0.3
178.02554	1.4
179.03368	7.1
179.06953	0.4
180.04164	2.3
182.04796	0.3
187.14935	0.3
190.02585	26.7
191.03287	1.4
191.06911	0.3
193.01289	2.0
194.02014	1.0
195.06528	1.8
195.08186	0.4
205.01373	0.3
205.04976	1.3
205.15878	0.3
207.02859	10.1
207.04822	0.5
207.62651	0.3
208.03644	17.9
209.03973	0.5
223.05975	100.0
224.06343	1.8
225.04128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03947	4.2
55.01852	5.3
55.05481	4.6
57.07056	2.3
62.76918	1.7
65.03938	12.9
66.63110	1.8
67.05499	16.1
68.99420	2.6
68.99785	48.8
69.07050	4.3
69.10412	5.3
69.10830	8.0
75.08684	2.2
77.03912	6.2
78.04696	7.1
79.05036	3.4
79.05482	49.6
81.03407	4.5
81.07047	15.9
82.94181	1.8
83.08587	3.7
87.94578	2.3
89.03891	14.2
90.04725	2.8
91.05469	85.7
92.02599	6.7
93.03407	4.7
93.07021	8.3
94.04185	3.7
95.04952	33.4
95.08583	12.1
96.05733	2.3
97.02915	2.4
97.06509	3.7
102.19878	2.3
103.05435	5.9
104.18253	1.8
105.03365	7.8
105.04510	7.0
105.07014	8.7
106.04147	9.2
107.04946	41.1
107.08569	9.7
108.05722	5.4
109.02876	5.8
109.06539	9.1
109.10129	6.1
110.03657	5.3
111.04411	9.4
111.08046	3.7
117.03368	25.5
118.04166	2.7
119.04916	18.7
119.08567	6.5
120.02058	10.1
120.08914	2.3
121.02847	22.9
121.06478	18.7
121.10151	4.4
122.03608	2.3
123.04401	4.6
123.08047	4.1
124.05260	11.7
125.05976	14.6
127.08978	2.1
128.12025	2.3
131.04977	2.4
131.08549	3.5
133.02823	5.2
133.06491	5.2
134.03624	26.6
135.04399	76.7
135.08054	3.3
135.11708	3.1
137.02354	10.0
137.05931	5.1
139.07520	34.0
145.02795	8.4
145.10075	4.6
146.03630	3.0
147.04384	8.1
147.11568	2.0
148.03946	2.4
149.02330	19.9
149.04233	7.8
149.05968	17.3
151.03818	2.5
151.07539	3.0
152.04721	9.6
153.05435	11.8
153.09007	1.9
161.05922	3.1
162.03082	17.0
163.03879	98.0
164.04437	3.8
165.01820	15.7
165.05458	2.8
165.08963	2.8
167.07034	25.4
177.05466	9.4
177.06790	2.3
177.12758	3.1
178.02608	4.5
179.03357	3.3
179.07062	3.1
180.04163	45.5
181.04883	7.4
187.14861	2.6
190.02614	6.7
191.03349	3.2
193.01343	9.4
195.06494	46.8
195.08063	3.2
205.04979	6.2
205.12306	2.7
205.15912	2.6
207.02811	4.5
208.03667	39.5
223.05989	100.0
223.10936	5.1
223.13257	9.0
223.16898	5.7
224.06012	2.2
225.04260	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	223.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37766	1.3
53.03930	3.0
55.01864	7.8
55.05265	1.8
55.05503	29.6
56.47734	1.3
57.03421	7.7
57.07070	2.6
58.34022	1.6
59.04984	6.2
65.03915	1.5
66.04765	1.5
67.05496	9.5
68.99760	1.7
69.03415	11.8
69.07056	17.7
71.04974	3.4
77.03907	3.0
79.05489	8.6
81.03410	8.5
81.07047	11.5
83.01338	5.1
83.04960	22.5
83.08607	2.5
85.02892	47.3
85.06522	2.8
89.06010	3.7
91.05467	17.4
93.06436	2.5
93.07029	39.1
95.04957	20.9
95.08591	18.1
95.87708	1.5
97.02882	2.1
97.06519	3.6
97.10155	20.3
99.04449	2.5
103.05460	2.9
105.03375	1.6
105.04528	2.0
105.07019	18.0
107.04928	6.4
107.08588	19.2
109.02879	1.5
109.06516	16.5
109.10123	5.2
111.00768	2.2
111.04381	1.8
111.08074	13.0
111.40195	1.3
113.05961	3.3
115.05408	2.5
117.06995	5.5
119.04924	2.3
119.08567	14.3
121.02812	2.0
121.06488	62.7
121.10128	12.9
123.04411	2.4
123.08033	14.3
123.51328	1.5
125.05972	4.4
125.09583	3.5
129.06955	5.0
130.07776	1.9
131.08546	6.1
133.06471	2.8
133.10124	18.6
135.04362	2.4
135.08043	16.7
135.11679	18.7
137.05988	9.9
137.09598	10.1
139.07529	11.8
139.11073	1.6
143.08534	1.5
144.09308	5.3
145.06491	2.4
145.10121	13.8
146.07179	1.7
147.04364	2.3
147.08017	5.7
149.02350	9.1
149.05901	8.7
149.09599	33.1
149.13202	5.4
151.07495	2.0
151.11140	4.9
153.09097	4.7
159.07993	2.3
159.11664	23.2
161.05904	2.1
161.09598	9.0
162.03180	1.9
163.03889	6.0
163.07539	2.8
163.11162	19.7
165.05435	3.0
165.09085	11.3
167.07034	6.4
175.07472	4.2
175.11159	3.0
177.05440	4.4
177.09160	9.2
177.12724	25.9
179.10649	10.3
181.04970	1.6
181.08589	2.3
181.12254	3.6
185.99396	1.3
187.07487	3.9
187.11134	8.9
191.03333	1.7
193.12180	3.2
195.13773	5.5
205.04939	2.5
205.08534	5.0
205.12206	33.2
223.05991	6.3
223.13243	100.0
224.13579	2.5
225.04250	5.4
227.84822	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.02067	1.1
53.03946	1.9
55.01850	6.7
55.05500	27.1
55.43560	1.1
57.03427	7.1
57.07064	2.4
59.04982	3.3
60.47702	1.0
65.03934	1.1
67.05484	9.7
69.03417	11.2
69.07049	14.1
71.04976	3.3
72.01849	1.3
77.03894	1.4
79.05492	8.2
81.03392	6.6
81.07037	10.9
83.01319	4.9
83.04964	19.7
83.08588	1.4
85.02888	38.5
85.06519	2.4
91.05449	15.2
93.07022	32.3
95.04951	17.7
95.08588	15.2
95.89568	1.1
97.02879	1.7
97.06512	4.9
97.10156	20.7
101.06020	1.4
103.05453	2.4
105.04501	1.7
105.06998	14.3
107.04939	9.1
107.08566	17.8
109.02861	1.3
109.06501	14.3
109.10130	4.7
111.00816	1.4
111.04410	2.0
111.08052	15.2
113.05980	4.1
114.30908	1.1
115.05439	1.6
117.06986	6.8
119.04922	3.1
119.08559	13.7
121.02802	2.7
121.06483	47.9
121.10126	11.6
123.04400	1.8
123.08031	14.8
123.11628	1.2
125.05947	1.9
125.09612	3.1
127.07504	1.6
129.06976	2.8
130.07744	1.8
131.04886	1.9
131.08592	5.3
133.06480	1.6
133.10106	15.9
135.04410	2.1
135.08035	17.7
135.11665	13.7
137.05962	7.9
137.09608	8.9
139.07513	9.9
139.11197	1.4
141.07915	1.1
143.08543	1.9
144.09306	3.0
145.06429	1.4
145.10094	9.3
146.07295	1.3
147.07982	5.2
149.02313	6.0
149.05954	7.5
149.09590	28.1
149.13219	4.6
151.11183	4.3
153.09079	4.5
159.08052	2.8
159.11659	19.4
161.05899	3.2
161.09564	7.2
162.03122	1.6
163.03810	3.2
163.07500	3.1
163.11150	15.3
165.05389	2.3
165.09067	10.2
167.06998	5.3
172.08826	2.2
174.03902	1.1
175.07495	1.8
175.11125	3.4
177.05418	3.9
177.09135	8.8
177.12701	24.4
179.10635	6.6
181.04906	1.3
181.12183	1.6
187.07571	2.7
187.11143	5.9
193.12183	2.1
195.13728	5.6
202.60518	1.2
205.04889	2.0
205.08546	4.1
205.12201	33.9
210.24974	1.0
223.06064	5.8
223.13235	100.0
224.13565	3.0
225.04242	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	223.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37766	1.3
53.03930	3.0
55.01864	7.8
55.05265	1.8
55.05503	29.6
56.47734	1.3
57.03421	7.7
57.07070	2.6
58.34022	1.6
59.04984	6.2
65.03915	1.5
66.04765	1.5
67.05496	9.5
68.99760	1.7
69.03415	11.8
69.07056	17.7
71.04974	3.4
77.03907	3.0
79.05489	8.6
81.03410	8.5
81.07047	11.5
83.01338	5.1
83.04960	22.5
83.08607	2.5
85.02892	47.3
85.06522	2.8
89.06010	3.7
91.05467	17.4
93.06436	2.5
93.07029	39.1
95.04957	20.9
95.08591	18.1
95.87708	1.5
97.02882	2.1
97.06519	3.6
97.10155	20.3
99.04449	2.5
103.05460	2.9
105.03375	1.6
105.04528	2.0
105.07019	18.0
107.04928	6.4
107.08588	19.2
109.02879	1.5
109.06516	16.5
109.10123	5.2
111.00768	2.2
111.04381	1.8
111.08074	13.0
111.40195	1.3
113.05961	3.3
115.05408	2.5
117.06995	5.5
119.04924	2.3
119.08567	14.3
121.02812	2.0
121.06488	62.7
121.10128	12.9
123.04411	2.4
123.08033	14.3
123.51328	1.5
125.05972	4.4
125.09583	3.5
129.06955	5.0
130.07776	1.9
131.08546	6.1
133.06471	2.8
133.10124	18.6
135.04362	2.4
135.08043	16.7
135.11679	18.7
137.05988	9.9
137.09598	10.1
139.07529	11.8
139.11073	1.6
143.08534	1.5
144.09308	5.3
145.06491	2.4
145.10121	13.8
146.07179	1.7
147.04364	2.3
147.08017	5.7
149.02350	9.1
149.05901	8.7
149.09599	33.1
149.13202	5.4
151.07495	2.0
151.11140	4.9
153.09097	4.7
159.07993	2.3
159.11664	23.2
161.05904	2.1
161.09598	9.0
162.03180	1.9
163.03889	6.0
163.07539	2.8
163.11162	19.7
165.05435	3.0
165.09085	11.3
167.07034	6.4
175.07472	4.2
175.11159	3.0
177.05440	4.4
177.09160	9.2
177.12724	25.9
179.10649	10.3
181.04970	1.6
181.08589	2.3
181.12254	3.6
185.99396	1.3
187.07487	3.9
187.11134	8.9
191.03333	1.7
193.12180	3.2
195.13773	5.5
205.04939	2.5
205.08534	5.0
205.12206	33.2
223.05991	6.3
223.13243	100.0
224.13579	2.5
225.04250	5.4
227.84822	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1118
Annotation	Diplodiol
Peak:m/z	Relative Intensity
53.03939	0.7
53.12445	0.7
55.01856	2.5
55.05501	3.0
57.03423	1.2
57.07060	0.7
59.05001	1.0
65.03947	0.7
66.55534	0.5
67.05479	3.5
68.99772	1.3
69.03416	1.9
69.07068	0.6
69.45082	2.9
71.04967	2.4
79.05484	4.6
81.03373	0.7
81.07046	7.9
83.04980	4.4
83.47586	0.5
84.08101	0.6
84.88854	0.6
85.02892	2.2
87.77422	0.6
91.05455	7.3
93.07030	2.4
95.04970	6.8
95.08587	2.1
99.04433	2.1
99.08121	0.8
105.03370	1.3
105.07003	4.7
107.04942	6.6
107.08569	2.2
109.06505	6.4
109.10136	2.5
111.04421	0.7
111.08044	1.0
115.05414	2.1
117.07000	0.9
118.36742	0.6
119.04917	2.0
119.08595	3.1
121.02859	1.2
121.06490	8.2
121.10145	1.2
123.04417	5.5
123.08044	2.1
123.11700	1.1
125.05942	0.8
128.06218	1.4
131.04881	1.2
131.08557	1.0
132.05696	1.3
133.02766	0.7
133.06474	2.0
133.10109	1.4
135.04399	2.2
135.08026	2.3
137.05954	100.0
138.06293	2.4
141.05399	0.7
143.08533	2.6
145.06442	1.3
146.07242	2.0
147.04385	2.8
147.08018	2.2
148.05177	1.4
149.05960	14.3
149.09592	3.4
151.03880	20.4
151.05037	1.4
151.07512	2.0
159.08040	0.9
160.05174	14.4
161.05965	12.9
161.09607	6.5
161.13235	0.7
162.06700	1.0
163.07559	6.1
163.11145	2.9
165.05435	3.0
165.09167	0.9
174.06735	7.4
175.03899	1.1
177.09082	32.6
179.10553	0.8
186.60365	0.7
189.09070	35.9
189.12679	1.2
190.09456	0.9
193.05072	0.8
207.10065	10.3
207.13712	1.0
225.09032	1.2
225.11166	1.7
225.14713	3.0
242.16255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.112
Annotation	Diplodiol
Peak:m/z	Relative Intensity
52.52484	0.7
53.03929	1.0
53.20769	0.7
55.01870	1.6
55.05505	2.0
57.03421	1.2
57.07069	1.2
65.03938	1.3
67.05493	4.2
69.03421	3.4
70.60554	1.7
71.04982	3.6
79.05478	6.4
81.07044	8.7
83.04974	2.5
85.02899	1.5
91.05473	12.7
93.07018	2.9
95.04949	7.4
95.08578	2.7
97.06505	1.7
99.04442	2.2
102.68924	0.8
103.05462	1.6
105.03384	2.0
105.07012	3.6
107.04941	9.1
107.08572	3.1
109.02856	1.4
109.06500	7.7
109.10169	2.3
111.04436	1.4
115.05425	2.1
117.06992	1.1
118.04089	0.9
119.04950	4.7
119.08554	5.8
121.02840	0.9
121.06479	7.3
121.10135	2.4
123.00723	1.0
123.04405	6.7
123.08031	2.9
123.11616	1.4
124.05183	1.1
125.05986	2.2
128.06197	2.2
131.04932	1.1
131.08571	1.2
133.02867	1.4
133.06445	1.3
133.10121	3.7
135.04419	2.4
135.08040	2.7
135.11749	0.8
137.05952	100.0
138.06331	1.3
141.06906	1.0
143.08540	2.3
146.07230	1.6
147.04385	8.2
147.08011	4.2
149.05949	14.9
149.09607	3.5
151.02654	1.5
151.03885	25.4
151.07512	3.1
153.05345	1.1
160.05168	14.2
161.05957	12.6
161.09602	7.6
161.13287	1.3
163.07497	4.8
163.11162	2.4
165.01724	0.9
165.05457	4.9
165.09096	2.1
167.07036	1.3
173.05917	0.8
174.06711	7.5
175.03868	7.9
177.09088	33.2
179.07007	5.7
179.10626	1.9
183.06503	1.3
189.09076	32.3
189.12636	2.0
192.04147	2.1
193.04955	2.0
197.06053	1.5
207.06447	9.6
207.10068	9.9
207.13857	1.8
225.05562	1.5
225.07513	1.7
225.10950	5.3
225.14853	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49969	0.4
55.01866	0.7
56.04776	0.7
56.05029	8.7
56.96560	4.0
57.03220	0.4
57.03430	4.3
57.04546	0.8
58.06585	0.8
69.03413	1.6
69.07031	0.5
69.43472	1.2
69.43858	0.9
71.04978	0.8
72.08146	0.9
73.02895	0.6
74.06068	4.7
79.05481	11.4
79.38094	0.6
80.05012	0.5
81.03403	0.9
81.07047	0.5
83.06093	5.5
84.04482	2.0
84.08138	2.6
84.96004	2.1
85.02885	2.9
91.05470	5.0
93.05801	0.6
94.06544	0.7
95.04970	0.8
95.06076	1.3
97.02869	1.7
98.97563	3.4
99.04452	0.7
101.00882	1.2
101.07138	1.1
104.04977	0.6
105.03352	1.5
106.06543	5.3
107.04936	10.1
108.04459	0.7
109.06502	0.6
112.08717	0.7
116.04951	1.8
116.98589	2.5
117.05743	3.0
117.07008	0.7
118.06523	11.1
119.01889	5.5
119.04934	0.9
120.02016	1.0
120.08075	0.7
121.01616	0.6
121.07590	0.7
122.06018	2.2
127.03913	0.6
130.06488	1.1
131.01918	0.7
132.04420	0.9
132.06847	0.7
132.08035	0.6
133.07576	5.7
134.05046	0.8
134.05997	7.8
134.99661	0.9
135.04396	1.1
135.09125	0.9
137.02951	1.2
137.05934	0.7
144.08073	0.9
145.06522	0.9
145.07585	9.5
146.05988	28.9
147.09143	1.3
148.06328	0.5
148.07518	1.4
149.06734	0.6
151.08638	1.8
152.07014	1.8
158.99774	0.5
159.09154	0.8
160.07527	2.9
161.10695	2.1
163.08646	2.6
164.07036	3.2
165.10248	1.2
171.07790	0.9
171.09151	10.1
172.07527	0.8
173.01134	0.9
175.04590	0.9
175.08600	0.7
176.03360	1.0
177.00920	6.0
177.10223	0.9
178.00963	0.5
179.11801	0.7
182.99669	1.1
189.00708	0.7
189.10202	41.5
190.08594	2.1
190.10527	1.6
193.09680	7.4
194.10481	0.9
201.00793	2.4
207.01903	0.6
207.11269	19.9
207.13229	1.2
208.09688	1.3
217.04085	1.0
219.01961	6.2
220.02075	0.7
225.12311	100.0
226.10698	0.7
226.12645	2.0
226.15475	0.5
243.02069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1232
Annotation	4-(3-AMINO-2-HYDROXYPROPOXY)PHENYLACETAMIDE
Peak:m/z	Relative Intensity
51.82658	0.5
55.05497	1.1
56.05031	7.3
56.67886	0.5
56.96548	2.5
57.03428	2.8
57.04556	0.9
63.05188	0.6
65.41771	0.6
69.03415	0.8
69.70614	0.6
71.04953	0.9
74.06072	3.1
77.03871	0.5
79.05482	8.5
81.03405	1.8
83.06086	4.8
84.04497	1.4
84.08125	1.0
84.96021	1.6
85.02892	0.5
91.05469	3.3
94.06554	2.4
95.04900	0.7
97.02917	0.9
98.97583	2.2
99.04433	1.6
101.00883	5.6
101.07112	1.1
102.08875	0.6
104.04973	1.3
105.03382	2.7
106.06548	3.7
107.04937	8.7
108.04436	1.0
109.02907	1.4
116.04958	1.8
116.98635	1.8
117.05737	3.1
117.07013	0.9
118.05753	1.0
118.06527	10.3
119.01904	22.2
119.04978	0.6
119.08604	0.6
120.02007	1.7
120.08082	0.8
121.07626	1.6
122.06017	7.1
124.07578	1.4
130.06500	0.9
131.06018	0.9
132.04417	1.5
132.06828	0.9
133.05258	1.1
133.07593	5.9
134.05991	6.2
134.99750	2.5
135.04388	1.4
136.07559	0.6
137.02948	5.7
137.05910	0.7
138.03207	1.0
138.07814	0.7
140.98790	0.9
142.03525	1.3
144.08084	0.7
145.03418	0.7
145.06480	1.2
145.07576	10.7
146.05991	23.1
147.01395	0.9
147.05440	0.8
147.09145	2.3
148.06400	0.9
148.07547	2.2
149.07037	1.8
150.05533	0.8
151.07524	0.7
151.08644	1.4
152.07033	2.2
152.09404	0.8
153.00873	1.2
157.03535	0.7
158.99902	2.7
159.09143	0.6
160.07573	1.7
161.02985	1.2
161.10742	1.4
162.07652	0.7
163.08650	2.5
164.05908	0.6
164.06982	2.9
165.10201	4.1
171.09132	9.5
172.07506	0.6
175.08679	3.4
177.00923	39.9
177.10233	2.6
178.01071	2.7
179.03951	0.8
179.11823	0.7
182.99719	1.4
184.04608	0.7
189.10207	32.1
190.08583	1.9
190.10484	1.3
193.03952	0.9
193.09700	17.6
194.10426	2.0
195.11235	0.6
201.00826	5.5
201.02490	0.9
202.05873	0.7
207.11275	20.1
208.09656	2.1
208.11607	1.3
217.04021	4.5
219.01965	38.5
220.02095	4.7
221.01797	0.7
225.01007	1.9
225.12309	100.0
226.12683	2.1
243.01955	8.6
243.04330	0.7
244.02376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.80333	0.9
55.05494	4.2
56.53540	0.8
57.03425	1.4
59.89177	0.9
67.05492	6.8
68.15405	0.8
69.03437	1.8
69.07053	3.6
69.78582	1.7
69.78931	2.3
71.04984	3.4
79.05482	4.5
81.07053	10.6
83.04972	18.0
83.08608	1.3
85.02879	1.6
85.06561	1.4
91.05474	3.8
93.07043	6.1
95.04950	3.2
95.08592	9.8
97.06519	3.5
98.23411	1.7
99.04465	2.1
99.08080	9.6
105.06995	4.7
107.04986	1.4
107.08592	7.7
109.06503	30.5
109.07214	1.9
109.10165	2.4
111.04427	14.0
119.08562	6.9
121.06483	4.8
121.10149	8.0
121.55262	0.9
123.08055	100.0
125.09632	5.8
131.08617	0.9
133.10118	3.1
135.11681	1.8
137.06000	1.0
137.09602	3.1
139.11159	1.3
141.09116	1.0
145.10130	1.8
147.11697	3.0
149.09602	7.5
151.07544	1.9
151.11191	3.6
161.13255	4.6
163.11172	3.5
165.12753	2.8
167.10657	6.2
181.12268	2.1
183.10106	0.9
189.12769	3.3
194.22955	1.0
207.13768	6.2
225.14621	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.89550	1.4
55.01865	3.5
55.05502	12.9
56.14334	1.2
57.03421	5.7
57.07056	4.9
59.04982	2.3
67.05159	1.4
67.05498	18.1
69.03421	5.6
69.07059	11.0
69.22366	6.5
70.25786	1.2
71.04981	16.2
71.08617	1.4
79.05486	10.7
81.03416	1.3
81.07048	48.2
83.04963	9.9
83.08599	1.9
85.02893	24.9
85.06517	3.6
91.05465	10.1
93.07037	10.9
95.04945	6.0
95.08592	27.6
97.02884	3.8
97.06508	7.2
97.10162	3.3
98.22681	2.8
99.04444	100.0
99.08088	6.3
100.04802	1.2
105.07015	15.0
107.04974	1.2
107.08573	22.3
109.06516	9.5
109.10136	18.8
111.04443	1.5
111.08050	5.7
113.06006	2.0
115.03954	2.6
115.07626	1.5
117.06996	1.3
119.04905	3.6
119.08576	15.0
121.06458	3.0
121.10133	21.5
123.08053	24.2
123.11686	26.1
124.77546	1.1
125.06001	3.9
125.09570	2.0
127.07516	5.3
127.11160	7.7
131.08539	1.7
133.06419	1.5
133.10132	5.2
135.08008	2.1
135.11665	3.8
137.09579	18.5
137.13249	8.7
141.09085	6.3
143.08549	1.6
145.10129	3.1
147.04375	2.5
147.08012	2.7
147.11659	12.8
149.09599	19.5
151.07510	5.2
151.11150	9.3
153.12660	1.8
156.09283	1.9
161.09567	1.9
161.13239	11.2
161.46718	1.4
163.03847	4.1
163.11166	5.8
165.12740	7.0
167.10661	1.6
169.08632	2.0
171.11679	5.2
174.10345	1.4
175.03867	2.3
179.14352	3.8
181.12239	2.4
183.13708	1.6
189.12726	15.4
207.06506	5.3
207.13783	13.3
210.05302	1.3
224.34241	1.7
225.14812	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.01865	1.1
55.05502	5.0
57.03417	0.7
57.07059	1.0
65.03922	0.9
66.77903	0.6
67.05473	2.4
69.03421	1.1
69.07049	1.5
69.23808	3.2
69.24210	1.6
71.04985	38.6
79.05496	4.1
81.03404	1.7
81.07043	5.3
83.04973	2.5
83.08604	5.5
85.02894	2.6
85.06513	1.2
87.04446	1.0
88.57972	0.6
91.05001	0.6
91.05466	3.8
93.07027	2.6
95.04935	1.7
95.08614	6.6
97.06509	2.4
98.22741	1.2
99.04443	100.0
105.03410	0.9
105.07037	5.2
107.08581	31.4
109.05750	1.1
109.06502	21.2
109.10165	1.5
111.04373	0.8
111.08060	0.7
113.09603	4.8
119.04932	0.9
119.08556	2.8
121.10128	10.8
123.04417	0.7
123.08060	14.9
123.11696	11.9
125.06011	1.7
125.09619	8.0
126.22757	0.6
131.05051	0.7
131.08540	1.7
137.05962	2.0
137.09630	2.1
139.11182	2.7
141.12729	2.2
147.11690	4.9
149.09631	8.5
151.03787	0.7
151.07562	1.3
153.05385	0.9
161.13182	1.0
165.12732	7.8
167.07101	1.9
167.10658	27.2
169.10138	1.4
179.07011	1.4
180.04193	0.8
183.13780	28.3
189.12737	3.4
199.24724	0.7
207.06270	0.8
207.13776	2.3
225.14677	10.4
225.19693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03944	1.5
55.01863	4.6
55.05510	17.1
57.03428	10.2
57.07071	6.2
59.04988	5.7
65.03950	2.0
67.05495	16.7
69.03421	5.4
69.07061	20.0
69.77534	3.4
69.77860	3.3
71.01347	3.3
71.04977	12.4
79.05484	12.2
79.40787	1.6
81.03442	3.8
81.07047	54.4
83.04979	16.3
83.08624	4.6
85.02903	9.5
85.06530	6.8
86.99242	1.4
91.05468	29.5
93.07042	12.5
95.04973	11.2
95.08603	26.6
97.02870	1.7
97.06518	26.3
97.10170	2.6
98.22793	2.7
99.04444	100.0
99.08070	9.9
101.06001	1.7
103.05470	2.4
105.03427	2.1
105.04500	1.5
105.07023	15.5
107.04973	7.7
107.08580	26.5
107.09255	2.8
109.06509	14.4
109.10151	19.7
111.04460	1.8
111.08073	8.0
113.06020	2.5
115.03913	3.6
117.06968	1.8
118.04129	3.0
119.04924	17.0
119.08566	18.0
121.06516	3.0
121.10118	19.3
123.04401	4.6
123.08057	84.9
123.11700	13.3
125.05962	3.4
125.09614	4.8
127.07551	6.3
127.11166	8.0
131.08578	3.5
132.02104	1.7
133.02875	1.5
133.10130	7.1
135.04482	2.6
135.08040	4.5
135.11685	4.2
137.05936	9.4
137.09637	14.9
137.13231	14.8
139.11050	1.7
141.07027	2.3
141.09087	8.0
143.08540	3.0
145.10106	3.3
147.04385	15.5
147.08060	5.1
147.11665	11.6
149.02373	2.1
149.09615	23.2
151.03937	2.2
151.07549	14.8
151.11168	13.2
151.14873	2.1
153.09166	2.6
155.10683	2.2
156.09341	5.1
157.03926	2.2
159.08020	2.2
161.09612	2.6
161.13260	11.6
163.03850	2.9
163.11227	5.5
165.01819	2.4
165.05473	5.0
165.09099	23.4
165.12741	15.1
167.10651	1.9
170.29564	1.5
171.11690	6.6
174.10457	2.3
175.03880	24.4
179.07021	2.4
179.14339	7.6
180.04131	11.7
183.06532	5.3
183.13806	4.5
186.33336	1.4
189.12729	62.6
192.04196	6.7
193.04877	7.8
195.06477	1.7
197.06001	7.2
197.07744	1.7
207.06503	30.0
207.13786	57.8
225.05434	4.8
225.07588	6.0
225.14806	41.8
225.17032	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	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05495	2.8
57.07070	2.9
58.82930	0.8
59.04982	1.2
67.05494	8.8
69.03423	1.8
69.07050	1.6
69.47992	1.3
69.48328	3.9
71.04972	2.0
79.05483	2.3
81.07047	22.3
83.04964	1.2
84.50370	0.8
85.02892	100.0
85.06521	2.5
91.05444	4.4
93.07040	4.6
94.16984	1.1
95.04953	2.6
95.08010	2.0
95.08593	27.0
99.04480	1.3
105.03420	1.3
105.07033	4.0
105.39059	0.9
107.04921	1.0
107.08584	5.1
109.06515	3.4
109.10152	10.5
111.11719	0.9
112.02511	0.9
113.06018	1.8
119.04919	2.9
119.08553	7.0
121.06513	1.4
121.10123	10.0
123.04369	1.7
123.08077	6.5
123.11687	66.0
124.70580	1.0
125.05965	5.5
133.10091	1.4
135.11646	2.1
137.09589	1.8
139.07591	1.0
141.09149	1.6
145.10176	1.3
147.04414	2.9
147.08052	3.1
147.11714	4.5
149.09595	11.4
151.07524	2.5
161.13261	2.2
165.09099	2.5
165.12706	2.7
165.64948	1.0
167.07062	1.1
167.10648	1.3
169.08537	1.3
171.11725	1.7
175.03896	3.9
179.14235	1.3
181.01775	1.0
183.06442	1.6
189.12706	4.3
202.90520	0.9
207.06523	3.3
207.11943	1.7
207.13785	14.5
217.29700	1.0
225.14798	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	225.1483
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.37373	0.6
53.00511	0.6
53.03941	1.5
55.05500	6.5
57.03414	1.4
57.07067	1.2
59.04984	2.2
65.03924	1.0
65.83278	0.6
67.05503	4.9
69.03416	1.7
69.07047	2.8
71.04981	35.6
71.08607	0.7
79.05476	5.3
81.03403	2.5
81.07043	9.9
83.04971	4.1
83.08607	7.5
85.02881	4.3
85.06523	1.3
91.05454	5.0
93.07023	4.8
95.04954	2.9
95.08587	9.5
97.02875	0.9
97.06496	3.3
97.10187	0.9
99.04439	100.0
100.04786	0.8
105.07017	8.4
107.04900	1.1
107.08577	36.0
109.06498	22.5
109.10128	4.2
111.04455	0.9
111.08044	0.9
113.05909	0.8
113.09629	4.5
115.05430	1.4
119.08585	4.6
121.06472	1.6
121.10123	11.7
123.04409	1.1
123.08046	17.3
123.11687	12.7
125.05984	4.5
125.09616	8.0
131.08542	1.6
133.10132	2.2
135.11668	1.0
137.05952	2.9
137.09599	3.0
139.11176	1.7
141.12723	1.3
142.06448	1.1
145.10069	1.2
147.11656	6.7
149.09592	9.9
151.07559	2.7
151.11185	2.3
153.09056	1.1
157.10091	0.7
161.09608	2.1
161.13235	2.7
163.11157	2.6
165.06966	0.7
165.09126	1.6
165.12729	8.9
167.07031	3.4
167.08478	0.9
167.10648	22.5
167.11984	1.4
169.10089	1.7
170.06003	1.8
171.11650	0.8
178.07756	0.7
179.14406	1.2
180.04103	0.9
182.05945	0.9
183.11887	1.5
183.13779	24.6
189.12715	3.7
207.06447	1.2
207.13765	6.0
225.09169	1.9
225.14658	11.1
226.05005	0.9
227.04025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03933	2.3
55.01863	3.8
55.05498	10.3
57.03419	4.9
57.07077	3.2
59.04993	3.3
67.05501	16.7
69.03422	18.1
69.07059	13.8
71.04978	10.2
79.05479	12.6
81.07046	23.9
83.04975	30.0
83.08614	5.6
85.02908	3.3
85.06527	3.3
87.04472	2.7
91.05458	14.4
93.07027	17.5
95.04952	12.9
95.08601	28.7
97.06509	11.5
99.04446	7.4
99.08079	5.0
101.06003	17.2
105.07018	25.4
107.04937	3.3
107.08582	100.0
109.06505	30.6
109.10142	24.8
111.04436	7.0
111.08037	8.9
119.04952	2.2
119.06014	1.8
119.08571	23.8
121.06497	5.9
121.10133	31.5
122.07281	5.7
123.08058	76.6
123.11691	6.6
125.06018	3.0
125.09674	4.0
127.07543	4.1
131.08527	3.3
133.06516	2.0
133.10094	8.7
135.08037	4.6
135.11667	6.3
137.06000	3.5
137.09598	46.1
137.13264	4.2
139.07521	2.1
139.11157	4.5
141.09048	1.8
143.08499	3.6
145.10080	9.9
147.08044	5.2
147.11642	12.2
149.09593	14.5
151.07515	6.9
151.11169	60.2
155.08562	2.5
156.09338	5.3
161.09615	5.0
161.13246	21.0
163.11169	18.9
165.09108	4.1
165.12735	8.4
167.10706	7.6
169.10130	2.5
171.11670	7.7
179.14301	7.2
179.56421	1.8
183.06496	2.1
189.12701	18.4
193.04950	2.2
194.41545	1.8
198.34123	2.1
207.13774	57.8
210.06734	1.6
225.09236	2.6
225.14700	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	226.9351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00874	12.1
55.06254	11.9
55.57073	15.0
69.41596	23.6
69.41989	31.2
72.97623	12.3
76.90343	13.5
94.93011	19.5
136.93976	15.2
150.91951	23.8
156.97435	12.6
159.45180	13.5
164.31691	13.3
179.79568	12.0
224.02748	13.6
226.86653	25.0
226.93547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
55.01859	5.4
56.96543	2.0
65.03930	5.7
67.05486	3.5
69.03403	0.8
69.07046	0.9
70.52351	1.3
73.02904	39.0
77.03885	0.7
79.05455	2.1
81.07036	1.4
82.04171	2.4
85.02877	4.6
85.06527	2.3
86.09674	1.8
91.05441	2.6
93.03371	1.5
93.07027	2.0
95.04961	6.3
96.14660	0.7
97.06510	2.0
98.09703	0.6
98.23356	0.7
98.97568	3.5
100.11261	1.1
105.04499	1.0
107.04935	1.3
107.08537	1.3
108.02090	0.9
109.06502	1.1
110.03621	2.7
111.04434	1.5
116.98584	2.6
121.06505	2.2
121.10168	0.8
123.00751	0.7
123.04414	8.5
125.02316	2.3
125.05984	2.5
131.08517	1.8
131.82309	0.7
137.05943	0.8
138.03056	1.5
139.03859	1.0
140.04655	49.1
142.02579	1.0
145.10121	0.8
149.05954	0.9
149.09587	2.2
153.05424	5.4
155.06999	66.4
156.07320	0.9
163.11130	1.1
167.07008	2.1
167.10657	0.8
171.06499	5.1
173.08006	3.3
177.05463	1.1
179.07010	1.8
181.04919	100.0
182.05252	0.9
191.10663	1.0
209.08040	20.3
209.11320	0.8
227.09059	14.3
227.12566	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
51.38098	0.5
55.01874	6.0
57.03410	0.5
57.69548	0.5
65.03938	8.0
67.05493	2.9
69.03434	0.7
70.75933	0.7
71.09333	0.5
73.02911	38.5
77.03921	0.9
79.05477	1.2
82.04173	2.1
85.02906	4.1
91.05461	1.6
93.03404	2.4
93.07013	1.2
95.04961	6.0
97.02899	0.7
97.06519	2.5
100.11241	1.9
105.04520	0.7
107.04971	0.6
108.02079	1.3
110.03670	3.6
111.04406	2.3
117.65572	0.5
121.06465	1.4
123.00782	0.6
123.04427	9.1
125.02344	3.3
125.05975	2.6
133.46991	0.6
138.03096	1.8
140.04668	54.9
141.05008	0.7
142.02632	1.0
142.28038	0.5
153.05453	6.8
155.07014	51.1
156.07246	0.7
167.07014	2.6
171.06526	6.7
173.08026	2.7
177.05452	0.6
177.34256	0.6
179.07051	3.1
181.04939	100.0
182.05296	1.2
209.08075	17.6
227.03401	0.5
227.09123	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	227.1276
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03929	4.0
55.01847	11.9
55.05501	28.4
57.03412	6.6
59.06546	2.9
67.05498	24.5
69.07049	12.0
70.23949	3.9
70.24294	6.6
71.04970	8.5
79.05481	43.5
81.07040	39.1
83.04971	5.7
83.08603	17.8
87.09215	3.0
91.05478	15.2
93.07032	57.8
95.04939	14.2
95.08014	5.0
95.08588	71.7
96.58346	2.7
97.02874	5.2
97.06513	6.4
99.04424	6.8
100.11234	18.9
101.47063	2.6
105.07017	10.9
107.04942	15.4
107.08581	39.9
109.06493	4.4
109.10123	4.7
117.06990	12.5
119.08542	13.1
121.06473	12.3
121.10114	22.8
125.05943	5.0
125.09626	2.8
131.08516	3.3
133.10075	5.8
135.07994	4.6
135.11668	68.5
136.43365	2.8
139.07510	3.4
143.08513	4.1
145.10097	39.8
151.03979	2.6
157.10103	6.4
163.11153	100.0
164.11493	3.9
167.07002	21.0
169.09784	3.1
171.11633	4.2
177.05489	4.0
181.12187	24.4
212.14278	11.5
213.14883	3.1
227.10686	4.3
227.12711	96.7
227.17776	10.6
228.17444	36.4
228.23289	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01860	3.6
55.05500	6.9
57.03428	3.6
57.07078	6.8
59.05016	1.8
60.99825	1.3
65.03920	4.8
67.05497	30.5
69.03439	2.6
69.07058	7.4
71.04356	2.2
71.04990	20.0
73.02901	6.1
77.03899	1.6
79.05489	28.7
81.03425	1.6
81.07045	6.5
83.04975	8.3
84.35360	1.3
85.06535	100.0
86.09707	3.6
87.04469	1.5
91.05471	18.9
93.03464	1.3
93.07043	26.1
95.04962	28.9
95.08605	4.1
95.48956	1.3
97.06511	7.5
99.04432	5.2
99.08083	5.4
100.11251	7.5
105.04456	1.3
105.07027	20.5
107.04944	12.3
107.08584	30.3
109.06499	8.1
109.10161	1.3
111.04415	10.1
111.08051	1.4
117.07018	6.0
119.08573	19.8
121.06491	14.2
121.10134	21.6
122.85902	1.2
123.04426	2.6
123.08039	2.8
125.05994	8.9
125.06878	1.4
125.09620	1.6
127.26021	1.4
129.07025	7.5
130.07716	2.6
131.08556	67.0
133.10118	5.4
135.08032	2.5
135.11687	6.7
137.05962	2.0
137.09587	7.7
139.07545	2.4
140.04683	7.7
145.10112	31.1
146.10614	1.6
147.08031	5.5
149.06000	2.4
149.09607	67.2
153.05461	6.4
153.09097	5.3
155.07024	11.4
155.08440	2.3
163.07545	3.7
163.11171	24.2
165.09094	11.7
167.07074	2.5
167.10677	30.4
173.09584	7.1
173.13310	1.9
179.10612	2.5
181.04947	17.5
181.06462	2.4
189.85109	1.3
191.10641	51.0
191.14316	2.3
191.81061	1.4
197.11818	1.6
209.08052	4.1
209.11711	45.4
227.09149	1.9
227.12764	14.7
227.16342	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	227.1276
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01865	36.9
55.05505	12.7
55.51952	2.5
57.03424	6.1
57.07067	15.1
59.04985	6.1
59.97405	2.0
60.08334	2.2
67.05499	37.9
69.03419	9.1
69.06709	2.6
69.07060	32.9
70.19263	2.0
71.04982	21.7
79.05482	34.3
81.07039	30.3
81.81958	2.1
83.04964	9.0
83.08605	5.7
85.02922	2.3
85.06038	4.6
85.06528	66.5
86.09691	12.5
86.59518	2.6
91.05459	20.3
93.06440	3.7
93.07034	66.6
95.04955	63.8
95.08591	40.4
97.06522	51.8
99.04441	19.2
99.08074	11.3
100.11237	6.8
101.06012	3.5
105.07014	47.1
107.04943	5.4
107.08579	100.0
108.08920	3.0
109.06511	22.4
109.10136	8.4
111.04435	2.9
111.08041	9.9
113.05981	21.3
114.49770	2.3
115.03931	3.5
115.07547	3.4
117.06999	9.8
119.08567	24.8
121.06506	22.2
121.10130	52.5
121.59551	2.0
123.08063	27.9
123.11674	8.5
125.09603	6.8
127.07542	6.2
130.07817	3.2
130.89569	2.2
131.06946	3.0
131.08534	9.5
133.10106	25.3
135.07997	12.5
135.11697	20.9
137.09578	2.9
139.11154	10.5
143.08536	2.4
145.10112	31.8
147.11652	9.8
149.09615	16.8
149.13219	7.3
151.07545	18.8
151.11157	7.7
153.09041	14.0
155.08580	2.7
163.11162	80.0
163.14796	5.2
165.12695	2.5
167.07018	3.1
167.10678	21.6
169.08582	88.7
171.02264	2.2
171.10161	6.6
173.09569	8.6
173.13217	10.5
181.12181	24.9
185.11655	2.4
191.10614	41.6
191.14270	11.1
209.11690	23.5
209.15324	9.9
227.10722	4.5
227.12724	12.2
227.16278	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03938	1.3
55.01855	0.8
55.05500	4.8
56.02650	1.2
57.03435	0.5
57.07046	0.4
65.03923	0.6
65.37187	0.4
67.05493	22.4
69.07057	3.4
69.88261	0.6
69.88585	0.8
71.04981	100.0
72.05320	0.4
77.03933	0.4
79.05484	9.5
81.07043	29.6
82.07382	0.5
83.04970	1.8
83.08609	2.3
83.24410	0.4
85.06533	2.7
91.05471	4.8
93.07028	15.0
95.04968	1.3
95.08588	17.2
97.06504	3.4
97.10162	1.3
99.08074	1.0
100.11256	1.7
105.06989	2.6
107.08575	5.7
109.06495	0.8
109.10118	3.0
111.08060	1.7
113.05996	1.0
117.06992	3.2
119.08583	1.2
121.06491	0.8
121.10146	1.3
123.08031	0.4
123.11699	0.5
129.22612	0.4
131.08571	3.8
131.88568	0.4
133.10112	4.3
135.08058	1.0
135.10637	0.6
135.11662	9.6
149.13242	5.6
151.11208	0.4
151.14912	0.4
157.10187	0.6
159.11668	6.5
160.11998	0.5
175.14787	1.0
177.12692	2.7
178.83958	0.4
195.13780	1.1
209.15349	1.5
227.12566	0.6
227.14603	0.5
227.17729	0.8
228.23203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.05499	13.6
57.03423	4.9
57.07066	2.8
59.04988	8.0
60.84319	1.6
67.05505	8.3
69.03421	14.5
69.07063	9.4
69.20003	9.3
71.04978	18.8
73.02905	2.5
73.06538	2.1
79.05480	7.4
81.07050	20.2
83.04974	13.1
83.08608	8.2
85.06539	11.5
86.09700	3.9
91.05451	7.8
93.07018	19.4
95.04954	100.0
95.08595	13.7
97.06500	17.6
97.10150	7.1
99.04449	12.3
99.08076	25.7
100.11273	3.5
105.07041	8.6
107.08575	27.8
109.06499	16.9
109.10143	12.2
111.08088	9.6
113.05982	3.1
113.09577	3.2
115.07546	4.1
119.08569	6.4
121.06505	2.9
121.10133	22.7
123.04363	1.9
123.08048	5.1
123.11700	8.6
125.09608	50.4
127.07529	7.3
127.11179	1.6
131.08533	5.1
133.10104	28.9
135.08047	6.6
135.11671	4.9
137.09621	3.9
139.07530	2.4
139.11133	11.1
140.04619	2.3
143.10641	4.5
145.10092	2.8
146.15202	1.6
147.11665	8.0
149.09605	16.5
149.13260	10.1
151.11188	12.2
153.09081	37.5
153.12657	1.9
155.07010	3.7
163.14822	9.5
163.15988	2.1
165.12753	2.9
167.10616	3.6
171.10138	13.8
173.13263	12.7
181.04903	6.0
191.10686	1.9
191.14314	18.9
209.08115	1.6
209.11688	1.9
209.15311	34.9
227.16353	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	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.59774	2.1
51.85489	2.4
53.03926	3.4
53.04493	2.3
55.05505	30.6
57.03422	9.1
57.07067	12.5
59.05001	4.1
65.03931	2.9
66.54848	2.6
66.67297	2.2
66.92458	2.1
67.05498	29.9
67.67265	2.2
69.03412	8.6
69.07062	29.8
69.34550	5.1
69.34966	7.0
69.51773	2.1
71.01334	6.0
71.04977	13.4
72.18797	2.7
73.02901	4.7
79.05489	21.2
81.03407	7.7
81.07051	38.4
82.38860	2.4
83.04965	15.6
83.08630	14.0
85.06529	12.6
86.09709	20.8
86.19804	2.2
91.05460	18.6
93.07036	37.3
95.04983	13.2
95.08601	51.4
97.06519	14.0
97.10154	7.8
98.23405	6.2
99.04420	4.3
99.08103	5.6
100.11246	55.8
103.05425	2.2
105.07021	23.8
106.04153	3.5
107.08586	61.9
109.02915	3.0
109.06503	9.0
109.10138	37.2
111.04401	5.7
111.08088	8.6
113.09591	3.2
114.09158	2.8
117.07040	3.2
119.08560	14.3
121.06504	11.4
121.10137	65.7
123.08111	11.9
123.11713	13.2
125.06022	3.6
125.09612	8.9
127.07522	3.7
127.10340	4.1
127.11188	38.4
128.06238	3.1
131.08565	12.7
133.06509	2.5
133.10120	46.0
135.08040	19.2
135.11685	21.5
137.06010	6.0
137.07074	3.1
137.09601	21.7
137.13225	27.5
137.91293	2.3
139.11127	3.4
140.04599	5.5
143.08531	3.8
145.10117	10.0
147.11684	10.5
149.05984	10.8
149.07065	4.5
149.09605	100.0
149.13251	36.5
151.11197	17.6
153.07042	3.9
153.09096	8.4
155.07025	5.3
158.10875	7.3
163.08670	4.5
163.11150	6.5
163.14801	27.8
165.12733	16.0
167.06998	4.8
167.10632	5.1
167.14278	3.0
169.12231	2.9
173.13257	40.3
174.13509	2.6
177.05458	6.3
181.04924	8.2
181.12251	7.6
184.05138	2.6
191.10680	3.4
191.14291	50.5
209.07849	3.7
209.09515	2.6
209.15144	26.2
227.06955	10.6
227.10599	4.7
227.12709	3.4
227.16347	7.6
227.17735	7.2
228.23154	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.33470	1.5
55.01853	1.8
55.05507	8.0
57.03422	5.9
57.07050	4.5
59.04985	5.9
63.35898	1.6
64.54826	1.6
66.12145	1.7
67.05496	10.8
69.03410	5.0
69.07063	13.2
70.00477	3.8
70.00798	1.8
71.04979	29.0
73.06550	2.5
75.04488	2.0
76.00283	1.5
79.05479	7.0
81.07047	19.0
83.04977	4.6
83.08595	5.8
85.06536	9.8
86.48396	1.6
91.05459	7.5
93.07026	28.6
95.04958	100.0
95.08593	19.0
97.06512	24.3
97.10152	3.1
98.02787	1.6
98.23430	1.7
99.04436	15.1
99.08090	39.3
100.11237	3.1
105.07030	15.7
107.08579	27.6
109.06503	20.8
109.10132	13.7
111.08060	6.2
112.39912	1.7
113.05998	1.9
113.09598	1.9
115.07533	8.8
119.08560	7.0
121.10128	28.7
122.09052	1.5
123.08028	3.5
123.11743	4.0
125.09661	11.1
127.07534	19.2
131.08549	7.6
133.10110	38.7
135.08029	5.2
135.11676	8.1
137.09595	4.0
139.11142	12.6
145.10144	2.5
147.11699	8.8
149.13258	10.8
151.11142	7.5
153.09082	31.6
158.10947	3.0
163.14789	7.0
167.08638	2.5
171.10158	11.1
171.11484	2.4
173.13242	16.1
191.14273	14.7
209.15298	14.3
227.10643	5.7
227.16342	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	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
55.05501	4.2
56.96597	0.9
57.07067	1.9
57.98730	1.0
65.03929	1.0
67.05497	19.9
69.07056	3.5
69.73527	2.5
70.90393	1.0
71.04984	100.0
77.46186	0.9
79.05486	11.1
81.07044	32.2
83.04979	1.1
83.08617	2.9
85.06524	2.9
90.00540	0.9
91.05441	4.6
93.07030	15.8
95.04960	2.0
95.08593	15.4
97.06516	2.1
97.10133	1.3
100.11240	3.9
105.07001	2.3
107.08572	6.6
109.10143	2.1
111.08076	1.7
117.07015	3.4
121.06451	1.1
121.10156	2.1
131.08525	5.9
133.10118	4.2
135.08076	1.2
135.11656	8.6
149.07103	1.5
149.13214	5.1
157.10135	2.6
159.11679	8.5
163.08661	1.8
177.12830	1.7
191.08112	1.3
209.09280	1.2
209.15292	1.6
227.10475	1.8
227.12593	2.2
227.17926	4.3
228.23201	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	228.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01455	0.9
55.01865	16.1
55.05510	2.4
57.03425	1.3
57.07051	0.9
67.05489	3.3
68.05807	0.7
69.07060	2.5
69.48618	3.4
71.05013	1.3
79.05482	1.8
81.07050	3.5
82.07404	1.1
83.08610	0.9
86.09702	0.9
91.05483	2.1
93.07049	1.5
94.07362	0.7
95.04895	0.9
95.06070	2.5
95.08579	1.5
98.10508	0.7
100.11240	1.3
103.05457	1.5
105.07028	0.9
107.08567	2.8
108.08868	1.5
109.06584	0.8
109.10152	3.0
110.10466	0.8
111.08022	1.2
112.08636	0.7
114.26576	0.7
115.05429	5.4
117.05717	2.5
117.07001	21.2
118.06533	1.7
118.07306	0.9
119.08570	1.2
121.10130	2.1
122.10509	1.4
123.80954	0.7
124.12053	0.8
125.05989	0.9
125.09618	6.7
126.09950	3.4
127.05394	5.3
128.06218	10.2
129.06985	58.3
130.06502	1.2
130.07365	1.2
131.04950	1.1
131.08591	1.0
133.02818	1.1
133.05249	1.1
133.10085	1.3
139.05406	0.8
143.04865	1.1
143.07205	0.9
144.08055	13.7
144.09137	1.0
145.06461	27.9
146.05997	6.4
151.11142	1.1
152.11507	1.3
153.09090	5.0
154.06499	17.4
154.09352	3.7
155.04877	37.6
155.06035	17.3
156.08011	1.1
157.06467	48.7
158.05994	2.1
160.03917	1.2
164.15025	0.9
172.07549	56.2
173.05975	5.8
173.07361	1.1
173.11931	1.0
175.07597	0.8
182.05988	51.5
183.04390	61.6
184.04764	1.6
184.07736	0.8
185.05936	19.6
186.05455	0.9
192.14638	1.7
198.11107	0.8
200.07033	100.0
201.05370	2.4
201.07375	2.4
210.05496	1.7
210.15640	1.7
211.01860	1.0
211.03880	18.6
211.14554	1.2
228.06509	44.4
228.10245	2.6
228.12717	1.2
228.17369	11.2
228.23161	10.7
229.06889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01616	1.4
55.01863	15.6
55.05482	1.9
57.03433	1.1
66.84472	0.7
67.05496	6.3
69.17223	4.4
81.07037	2.0
81.51871	0.8
84.04494	1.0
90.31554	0.9
91.05456	1.2
95.01289	0.9
95.08586	0.9
100.11231	1.9
103.05449	1.8
109.10175	5.8
109.10782	0.9
115.05421	6.3
117.05695	2.3
117.07001	21.5
118.06541	1.8
123.50812	1.3
127.05418	3.8
128.06219	11.5
129.06985	54.3
130.06464	2.2
130.07344	1.7
131.04939	1.3
133.05202	1.5
143.04910	1.2
143.07352	1.0
144.08064	17.0
145.05322	1.6
145.06465	29.3
146.05943	7.2
146.06845	0.9
150.05347	1.1
154.06519	19.2
155.04874	36.2
155.06038	14.7
156.08096	1.0
157.06471	42.3
158.05899	1.9
160.03952	0.9
172.07549	47.8
173.05977	6.0
173.07361	1.0
173.11716	1.3
182.05997	51.0
183.04391	61.0
184.04704	2.6
185.05989	13.5
200.07042	100.0
201.05470	1.8
201.07230	1.1
211.03844	14.7
213.04185	1.1
228.06505	36.6
228.17403	4.0
228.23209	11.0
229.11992	1.2
229.14253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38504	1.7
54.46607	1.9
55.01863	18.3
67.05474	4.2
69.38793	6.8
91.69934	1.7
98.05994	1.6
98.23505	1.7
105.03335	2.1
105.30505	1.6
115.05437	3.8
117.05713	2.2
117.06999	22.1
122.06049	2.1
127.05412	5.3
127.62564	1.6
128.06210	10.8
129.06984	60.5
130.06514	1.8
135.69624	1.6
144.08067	13.0
145.06471	26.2
146.05963	4.9
146.59543	1.7
151.08772	2.2
154.06464	22.3
155.04877	38.9
155.06036	19.1
157.06459	47.6
172.06065	2.9
172.07545	56.4
173.05988	5.4
182.05986	47.5
183.04393	63.8
183.06047	3.9
185.05945	16.6
191.89702	1.7
200.07040	100.0
201.05481	1.9
201.07312	2.2
211.03868	13.4
212.14301	3.6
218.67979	2.0
228.06508	34.4
228.08524	3.8
228.17421	11.9
228.23203	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	228.1016
Annotation	Clausine-V
Peak:m/z	Relative Intensity
56.77572	0.2
67.05474	0.3
69.76206	0.7
69.76545	0.3
77.63267	0.2
154.59514	0.2
156.16051	0.2
158.06013	0.3
186.05505	3.7
198.05507	0.6
199.06253	51.8
200.06749	1.2
228.10152	100.0
228.23195	1.1
229.10490	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	228.1744
Annotation	erythrinan
Peak:m/z	Relative Intensity
55.05490	0.2
57.07044	0.2
67.05472	0.4
69.07066	0.2
70.06567	0.2
71.04955	0.2
77.39192	0.1
81.07021	0.3
91.05472	0.2
93.07029	0.2
94.79333	0.1
94.80007	0.1
95.06055	0.5
95.08636	0.2
97.10131	0.2
120.43168	0.1
129.07016	0.3
148.27985	0.1
156.08054	1.4
157.06505	0.2
157.08804	0.2
158.09587	0.5
169.12213	0.2
170.09593	1.4
171.10396	2.1
172.11169	0.2
183.10274	0.2
184.11183	1.3
185.11983	1.2
186.12712	0.5
187.13490	0.2
198.12759	2.4
199.13493	0.3
200.14259	0.4
210.15820	0.2
212.14310	31.1
213.15065	4.1
226.15860	0.4
228.17436	100.0
228.23206	1.9
229.17767	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0494
Annotation	1,5-Dihydroxyxanthone
Peak:m/z	Relative Intensity
55.05490	0.6
57.03434	1.4
57.07071	0.3
67.05163	0.3
67.05498	5.4
67.40142	0.3
69.07034	0.3
70.03533	0.5
70.03905	0.4
73.25080	0.2
76.70078	0.3
79.05466	0.3
81.07043	1.1
83.08595	0.5
85.06489	0.3
91.05468	1.7
91.80759	0.2
95.08585	0.3
97.10110	0.2
98.22924	0.4
103.05447	0.3
105.03386	1.0
109.10138	5.5
111.08055	0.4
115.05434	4.5
117.07006	5.4
119.08551	0.4
127.05415	0.7
145.06459	6.1
151.08655	0.6
155.04874	1.0
155.06029	0.8
173.05974	2.9
173.11707	1.3
173.13130	0.5
193.09644	0.3
201.05434	41.9
202.05724	1.2
228.23236	1.8
229.04921	100.0
229.13898	1.6
229.23552	0.5
230.05254	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	229.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
55.01868	5.0
55.05510	0.4
56.96544	0.5
58.39570	0.3
59.04992	1.4
62.69962	0.3
69.03420	25.9
69.07059	1.4
69.88424	0.7
70.06581	7.7
73.02899	0.4
79.01838	3.9
86.09697	11.3
87.04462	3.9
91.05484	0.3
95.06094	0.7
95.26115	0.3
97.02880	100.0
98.03223	1.2
98.97562	0.6
115.03915	67.0
116.04263	0.9
116.07076	14.4
116.98586	0.4
123.04419	0.3
129.07013	2.5
131.08566	0.4
132.08089	0.7
133.04941	1.4
141.06953	0.4
142.08601	0.4
145.06453	0.3
155.08504	0.3
156.08026	0.6
157.06485	2.1
160.07611	0.4
171.16463	0.3
174.09129	2.2
184.07582	1.4
185.05942	5.1
201.12347	0.4
201.97630	0.3
202.08591	3.1
205.98746	0.7
211.14261	0.4
213.05420	0.4
228.23199	1.2
229.15413	2.5
230.08099	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	229.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59167	0.4
55.01864	1.4
66.39394	0.5
67.05487	1.2
69.03417	79.9
69.07056	31.0
70.03754	0.7
73.02907	2.0
73.06539	1.2
73.37366	0.5
85.02909	0.7
96.02760	0.4
97.02876	100.0
97.06483	2.0
98.03200	0.7
98.22646	1.2
109.10146	0.9
111.06059	0.4
115.03912	70.4
116.04209	0.4
116.45871	0.5
120.26281	0.4
123.77392	0.4
127.17811	0.4
145.10062	0.5
159.11674	0.4
170.12668	0.5
211.16919	0.4
222.79636	0.4
229.08594	0.6
229.10678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1221
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.03940	5.3
55.05511	1.4
59.76459	0.9
61.13493	0.9
65.03946	1.4
66.95016	1.0
67.05488	4.1
69.03420	23.5
71.43184	1.2
73.32668	0.9
78.21282	1.0
79.05473	1.9
81.07046	2.0
83.04961	3.4
85.22127	0.9
91.05450	6.7
93.07034	6.4
95.04940	2.2
105.07023	6.2
109.02876	18.0
109.06456	1.3
115.05517	2.0
117.06992	2.1
119.08566	8.8
121.06505	8.4
128.06200	2.8
129.06952	5.4
130.07755	1.1
131.08543	13.7
133.10118	10.8
135.07996	1.5
141.06969	2.3
142.07719	2.7
143.08545	14.3
144.09348	5.2
145.06441	4.0
145.10112	10.5
151.08653	1.1
153.06949	2.1
154.07771	1.0
155.08554	6.5
156.09312	1.1
157.06488	1.8
157.10075	3.4
157.77744	0.9
158.07278	1.3
158.10880	14.3
159.08017	9.7
159.11676	10.1
168.09335	4.3
169.10027	2.0
170.10896	6.6
171.08022	9.2
172.08835	10.8
173.06105	1.5
173.09598	37.1
173.13223	42.8
174.13525	1.1
175.07373	1.0
178.07727	1.3
181.06500	2.7
183.11662	9.2
185.09618	2.3
185.13245	1.3
186.10378	25.3
187.07549	3.0
187.11151	69.9
195.08006	1.2
196.08856	5.7
199.07542	2.4
201.12709	52.3
202.13033	1.9
211.11143	13.0
214.06255	2.2
214.09904	4.1
228.23181	1.0
229.04912	3.6
229.08484	3.2
229.12199	100.0
229.23521	1.8
230.12575	2.7
233.56586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57153	1.2
55.05498	10.0
57.03429	19.2
57.07053	2.0
59.04978	4.3
62.06066	1.4
63.03854	1.2
67.05497	100.0
68.21284	1.1
69.07057	3.6
70.02163	3.2
71.04977	2.7
78.38250	1.2
79.05483	2.7
81.07050	14.3
83.08598	5.1
85.06534	2.9
91.05462	7.6
93.07034	5.2
95.08595	4.8
105.06998	2.0
107.08580	3.8
109.10144	76.1
111.08071	3.6
111.09189	1.1
117.06995	2.1
119.08560	7.4
121.10265	1.6
131.08565	3.0
137.09578	2.3
139.08641	1.6
145.10136	1.4
151.08617	3.9
155.10634	3.9
159.11649	2.2
173.11746	18.4
173.13179	1.6
193.09625	2.3
214.06102	1.7
219.78368	1.2
228.23135	4.2
229.11873	4.0
229.14206	21.9
229.19511	5.4
229.23511	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01862	10.1
55.05504	9.7
57.03438	5.8
57.07073	5.0
61.38560	3.1
67.05498	35.6
69.07064	13.8
69.39126	6.6
69.39510	7.8
70.06565	3.7
71.04977	4.5
75.47480	2.8
75.86420	2.7
79.05479	16.3
81.07043	56.8
83.04974	6.1
83.08602	7.7
85.06558	4.8
87.99816	2.7
91.05455	32.0
93.07042	11.8
95.04960	7.1
95.08604	14.9
97.06529	9.8
105.07015	25.2
107.08595	11.6
109.06505	7.8
109.10140	17.0
111.04487	3.2
113.05937	3.1
117.07061	5.3
117.59624	3.1
118.07296	3.4
119.08575	34.4
121.10127	17.9
123.09248	4.5
123.11696	28.2
129.07004	11.9
130.07286	4.2
131.08559	8.0
133.10104	10.6
137.13232	3.9
145.10149	5.9
146.06859	5.5
147.09190	5.0
147.11664	100.0
149.09639	4.5
151.08687	8.0
157.10097	21.7
158.06929	3.7
159.11723	7.3
165.12750	33.0
173.07945	4.9
173.09622	4.1
173.11746	2.9
175.11214	21.6
184.04826	5.4
185.05939	5.6
193.09822	3.5
193.12196	8.2
194.38075	2.9
201.07376	10.9
211.11038	4.4
228.23228	8.7
229.04889	4.1
229.12050	9.6
229.14166	78.6
229.17668	4.3
229.19591	7.3
229.23549	10.5
230.08011	5.2
230.18980	6.7
243.77115	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	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05500	10.6
57.03431	17.3
57.07069	7.2
58.06606	2.5
59.04992	3.9
60.08154	15.2
61.08507	0.7
62.06081	1.9
65.03941	1.7
67.05495	100.0
68.05840	1.0
68.39742	0.5
69.07056	1.8
70.56830	0.9
71.04977	3.2
71.08614	3.2
75.16350	0.5
75.63338	0.6
79.05488	2.1
81.07048	15.3
81.07500	1.2
83.08612	7.7
85.06540	2.4
85.10175	1.4
85.60381	0.6
91.05473	6.5
93.07024	1.9
95.08599	5.8
107.08606	1.9
109.10140	83.2
110.10468	1.4
111.08064	3.5
117.06985	1.0
119.08560	6.1
125.09630	0.7
135.88655	0.5
137.09625	3.9
139.08658	0.8
151.08659	1.5
155.10641	5.2
158.64719	0.6
173.11714	23.6
175.08755	0.8
193.09828	1.0
201.05424	0.8
212.23691	0.8
228.23161	2.1
228.26823	48.7
229.04916	3.5
229.11931	2.5
229.14262	23.9
229.19347	0.9
229.23457	2.3
229.27168	19.9
230.24750	17.1
245.87228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.4
57.03429	18.4
57.07061	2.1
59.04995	7.0
65.03929	1.3
67.05497	100.0
68.05830	0.7
69.07047	1.7
69.57288	2.4
71.04990	2.9
71.08607	0.8
71.81683	0.5
75.36359	0.5
79.05468	1.5
81.07047	13.2
83.08602	7.9
85.06536	3.2
91.05466	5.2
91.60289	0.5
93.07043	4.0
95.08593	4.9
99.08088	0.8
103.03947	0.7
107.08572	1.7
109.10144	82.5
110.10495	1.4
111.08102	3.4
118.84582	0.4
119.08566	6.0
123.00762	0.4
125.54312	0.5
129.21323	0.6
131.92299	0.5
137.09601	4.0
155.10637	4.6
155.89635	0.5
160.19974	0.5
173.11713	20.7
190.23093	0.5
197.02286	0.5
229.14323	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	229.1432
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
52.09402	0.5
55.05500	8.7
55.76871	0.5
57.03427	17.0
57.07067	1.2
59.04994	5.7
61.13527	0.4
65.03925	1.8
67.05492	100.0
67.22113	0.6
68.05815	0.8
69.07065	2.4
70.06585	0.7
71.04975	3.2
72.09058	0.6
79.05475	2.0
81.07037	14.3
81.07495	0.9
83.08605	8.0
85.06525	2.8
91.05457	5.1
93.07034	3.7
95.08579	4.9
99.08045	0.7
103.03928	0.6
107.08556	1.8
109.10136	77.7
110.10459	1.1
111.08071	3.7
113.05972	0.5
119.08570	5.4
125.09615	0.8
127.11187	0.6
137.09595	3.5
155.10605	3.8
159.17537	0.4
160.68102	0.5
173.11705	19.8
201.05499	0.8
211.10712	0.7
228.23259	1.2
229.04791	1.0
229.12022	1.3
229.14279	24.0
229.23396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.40022	1.2
55.05496	3.3
57.03428	5.7
59.04989	2.2
67.05153	2.8
67.05498	35.8
67.05859	1.9
69.07051	8.8
70.06577	1.4
70.55288	1.2
71.04990	3.5
71.44415	1.4
79.05483	1.7
81.07041	10.1
83.04993	1.6
83.08585	2.1
85.06509	2.2
91.05454	3.7
93.07034	4.3
95.04966	7.6
95.08598	6.1
105.07034	3.0
107.08571	2.8
109.10143	100.0
111.08086	1.8
117.06985	1.9
118.55241	1.5
119.08591	7.4
121.06446	2.1
123.11681	7.8
127.08595	1.6
127.11174	30.0
129.06963	2.2
131.08586	3.6
133.10132	5.3
137.09576	7.9
137.44522	1.2
143.08456	2.2
145.10168	2.2
151.08690	1.9
151.11105	2.5
155.10684	4.6
159.11694	2.0
161.09618	4.2
173.11761	16.1
173.13258	2.3
174.09116	3.0
179.10579	8.2
185.05948	6.5
187.13571	3.9
197.11713	5.8
200.14285	1.8
202.08580	4.9
213.14650	3.6
214.15768	3.9
228.23254	3.9
229.12004	3.5
229.14262	4.8
229.17680	11.1
229.19524	2.3
229.23592	3.2
230.08115	2.7
230.19011	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.2
57.03429	18.2
57.07065	7.1
58.06592	2.6
59.04997	5.0
60.08154	13.1
62.06060	0.8
64.13811	0.6
64.48621	0.5
65.03931	1.9
67.01814	0.5
67.05496	100.0
69.07057	2.7
69.50356	2.7
71.04993	4.2
71.08614	2.2
78.67153	0.5
79.05474	1.7
81.07047	14.0
83.08607	7.9
85.06536	3.0
85.10195	0.7
85.12348	0.5
87.33596	0.7
91.05472	7.9
93.07030	4.1
95.08597	6.2
95.20317	0.5
103.03948	0.9
107.08574	2.2
109.10141	82.2
110.10453	1.2
111.08085	3.2
117.06985	0.9
119.08563	5.6
122.08416	0.7
131.08542	0.8
133.07608	0.8
137.09584	4.6
146.49182	0.6
147.09180	0.8
151.08655	1.1
155.10600	3.8
173.11714	23.3
173.13220	1.4
193.09665	0.8
211.10800	0.7
228.23125	1.9
228.26826	38.0
229.04884	1.3
229.12033	2.0
229.14302	32.2
229.19316	1.4
229.23502	1.7
229.27167	17.0
230.14532	0.8
230.24759	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	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05500	10.6
57.03431	17.3
57.07069	7.2
58.06606	2.5
59.04992	3.9
60.08154	15.2
61.08507	0.7
62.06081	1.9
65.03941	1.7
67.05495	100.0
68.05840	1.0
68.39742	0.5
69.07056	1.8
70.56830	0.9
71.04977	3.2
71.08614	3.2
75.16350	0.5
75.63338	0.6
79.05488	2.1
81.07048	15.3
81.07500	1.2
83.08612	7.7
85.06540	2.4
85.10175	1.4
85.60381	0.6
91.05473	6.5
93.07024	1.9
95.08599	5.8
107.08606	1.9
109.10140	83.2
110.10468	1.4
111.08064	3.5
117.06985	1.0
119.08560	6.1
125.09630	0.7
135.88655	0.5
137.09625	3.9
139.08658	0.8
151.08659	1.5
155.10641	5.2
158.64719	0.6
173.11714	23.6
175.08755	0.8
193.09828	1.0
201.05424	0.8
212.23691	0.8
228.23161	2.1
228.26823	48.7
229.04916	3.5
229.11931	2.5
229.14262	23.9
229.19347	0.9
229.23457	2.3
229.27168	19.9
230.24750	17.1
245.87228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45828	0.3
54.77167	0.3
55.01859	0.8
58.06591	6.6
58.67611	0.3
59.07376	1.4
60.07864	0.5
60.08157	7.8
68.05008	1.2
70.06582	40.3
71.06910	0.4
72.08162	0.6
96.08120	1.9
98.06046	0.7
108.33585	0.3
114.05527	3.0
114.09162	1.7
116.07067	0.6
124.07566	3.5
126.09151	0.8
142.08617	32.6
143.08952	0.4
170.08116	1.3
229.15439	100.0
230.15712	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	229.1546
Annotation	Pro Ile
Peak:m/z	Relative Intensity
52.98377	0.2
55.01868	0.4
56.96559	6.1
57.03436	0.4
58.06591	7.0
59.07371	1.3
60.07864	0.5
60.08156	8.1
67.05502	0.4
68.05006	1.2
70.06581	40.3
71.06902	0.3
71.33224	0.2
72.08157	0.3
78.03493	0.2
79.05482	0.3
86.09709	0.4
95.04977	0.7
96.08125	1.8
97.02888	0.5
98.06081	0.6
98.97566	8.8
101.00896	0.5
101.41627	0.2
107.04841	0.2
112.67216	0.2
114.05508	4.5
114.09139	2.5
116.07053	1.0
116.98608	5.7
119.01910	1.0
123.04391	0.6
124.07581	3.4
126.02277	0.5
126.09132	0.9
134.99649	1.9
140.03804	0.5
142.05412	0.6
142.08614	33.5
143.08913	0.5
148.86633	0.3
151.03844	0.9
158.04910	0.7
160.06442	1.0
170.08109	2.0
188.05911	0.7
189.04311	0.9
206.06958	1.3
207.05414	0.6
224.07991	2.0
229.15434	100.0
230.06947	0.8
230.15775	2.4
248.08041	1.6
249.06464	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	229.1797
Annotation	13-Hydroxy-2-tridecenoic acid
Peak:m/z	Relative Intensity
55.01863	2.2
55.05500	15.2
57.03416	7.1
57.07072	12.0
59.04981	2.5
61.51694	1.5
67.05498	36.3
69.03412	3.2
69.07054	18.3
69.47128	2.6
69.47504	2.7
71.04978	6.6
71.08627	4.4
75.95329	1.3
79.05453	7.1
81.07048	31.9
83.04969	4.0
83.08601	10.6
85.02895	4.0
85.06537	6.9
85.10165	3.7
86.77148	1.3
91.05449	6.9
92.75264	1.5
93.07030	15.2
93.16453	1.4
95.04967	4.7
95.08011	3.1
95.08591	46.3
97.02872	1.8
97.06502	1.9
97.10169	3.7
99.08060	9.4
105.07014	12.8
107.08572	21.3
109.06491	5.9
109.10138	100.0
111.08069	9.5
113.05986	2.0
115.05475	1.9
117.06971	2.5
119.08568	24.8
121.10143	24.8
123.08068	8.9
123.11694	30.0
123.12528	2.7
125.09622	3.1
127.11165	4.2
129.06938	2.6
131.08563	2.8
133.10104	25.5
135.11673	37.3
135.12642	2.9
137.09583	15.8
137.13239	6.8
139.11203	3.5
143.08565	1.8
145.06447	1.5
147.11661	3.4
149.13225	6.0
151.11185	5.2
151.14890	7.6
153.12727	6.1
155.08522	4.3
155.10684	4.2
159.09172	3.6
165.16367	38.2
167.14322	3.5
168.00027	1.5
170.05963	2.1
173.11832	2.5
175.14795	22.0
183.07951	2.0
183.11589	1.9
184.07504	2.8
185.05872	2.6
193.15868	22.0
202.08627	2.3
211.07520	2.1
211.16943	4.3
229.08583	3.2
229.12109	4.1
229.14058	1.8
230.08171	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	229.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	27.5
56.21083	8.7
57.03420	16.2
57.07048	12.9
57.83689	8.5
67.05494	100.0
69.03412	15.0
69.07061	49.6
70.06580	25.9
71.04979	14.0
71.44341	11.6
71.78454	8.9
76.62434	9.3
79.05494	12.7
79.44632	8.5
81.07045	61.2
83.08592	19.5
86.05979	8.2
86.09691	15.7
91.05470	24.0
93.07016	40.2
95.04958	12.0
95.08585	80.8
97.06480	13.4
99.08062	16.9
105.07027	35.1
107.04933	9.8
107.08573	44.7
107.54596	9.6
109.06492	21.7
109.10133	86.7
111.08078	18.5
116.07048	12.0
119.08585	67.2
121.10139	22.8
123.08062	20.2
123.11697	51.0
131.08519	9.9
133.10104	26.3
135.11644	58.1
137.09532	26.4
141.07010	17.5
149.13165	16.3
151.14819	13.6
157.06453	11.9
170.15372	14.9
174.08990	9.4
175.14821	61.2
193.12262	9.0
193.15874	24.9
201.09151	11.2
211.16856	10.8
229.08498	10.9
229.12082	22.5
229.15860	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	230.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	42.7
57.97319	0.3
58.06597	1.3
60.08155	0.9
67.55951	0.3
69.03404	0.5
70.06586	5.0
70.68851	0.5
71.06922	0.6
71.95261	0.8
72.08135	0.3
72.96037	1.3
73.02876	0.3
74.97559	0.6
82.81181	0.3
82.99876	0.3
83.97614	0.5
84.96021	0.9
85.02893	0.3
86.09701	4.3
97.02859	1.3
98.97569	100.0
101.00871	0.4
110.97527	0.5
114.05519	0.5
114.09135	0.3
116.00214	1.3
116.98606	57.4
119.01923	0.5
120.02081	0.3
124.00680	0.5
124.07594	0.5
126.02253	2.8
128.98647	0.7
132.03497	0.3
134.01227	1.7
134.99638	22.1
140.00197	0.5
140.03813	2.9
142.01712	0.3
142.05377	3.3
142.08620	3.5
143.01921	0.5
143.08961	1.9
144.03302	1.0
145.03384	0.4
146.99657	0.5
153.00717	1.7
153.02136	0.3
155.01814	0.5
157.03513	0.4
157.06517	0.4
158.01201	0.3
158.04857	4.4
159.04059	0.3
160.05157	0.6
160.06430	7.8
170.04869	1.3
171.03261	2.7
174.00589	0.4
174.04469	1.3
176.05959	1.0
178.07535	2.1
188.05937	3.4
189.04305	12.1
202.07510	1.0
203.05890	0.3
206.06981	8.0
207.05371	6.5
207.07312	0.3
212.05925	0.6
220.08427	0.3
224.08015	9.6
225.08218	0.3
229.15448	6.2
230.06952	10.2
230.15736	6.2
231.05354	1.9
231.07333	0.4
245.04996	0.3
248.08035	17.2
249.06366	0.9
251.75940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0809
Annotation	Phenopicolinic acid
Peak:m/z	Relative Intensity
55.01865	0.2
55.05494	0.4
58.57518	0.2
62.78860	0.2
63.14004	0.1
67.05493	0.8
68.05831	0.3
69.03416	0.4
69.07057	0.2
70.06560	0.2
79.05457	0.2
79.98297	0.1
81.07053	0.2
83.04958	0.4
83.08592	0.4
85.06523	0.2
86.06046	0.2
91.05467	0.4
93.07004	0.2
95.08575	0.3
98.05999	0.3
99.08102	0.2
103.05461	0.2
105.07009	0.3
107.08562	0.2
109.10130	0.7
110.10444	0.3
115.05419	2.2
119.08492	0.2
128.04996	0.3
128.06195	1.4
129.06973	4.7
131.08565	0.5
132.08066	0.7
141.06955	0.7
142.06497	12.1
143.06897	0.2
145.06369	0.3
145.10095	0.2
146.05959	2.0
147.08141	0.2
154.06471	0.3
155.06021	0.2
155.07274	0.4
156.08058	70.5
157.06448	1.2
157.08406	1.4
160.07544	10.0
170.06013	0.3
171.04314	0.3
174.09094	1.6
183.09239	0.3
184.07545	100.0
185.05939	4.4
185.07858	2.5
202.08592	29.4
203.08887	0.6
212.07053	0.4
229.23413	0.3
230.08084	4.0
230.10127	0.3
230.11996	0.2
230.21178	0.2
231.06393	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	230.0809
Annotation	Bruceolline H
Peak:m/z	Relative Intensity
55.01863	3.9
57.03420	0.4
67.05492	2.2
68.05830	0.7
69.03422	1.1
69.37374	1.5
80.96246	0.4
81.03409	0.8
81.07075	0.7
82.68271	0.4
83.08617	0.4
85.02891	0.7
85.51964	0.3
86.06062	0.7
91.05466	2.3
93.14001	0.3
95.08621	0.4
98.06031	0.7
105.07017	0.4
109.10141	1.0
110.10484	0.8
115.05446	5.8
117.05749	0.5
117.07004	1.5
123.47559	0.5
123.75472	0.4
128.06201	3.5
129.06987	24.6
130.06502	0.6
131.04922	1.4
131.07471	0.8
131.08542	7.9
132.08067	14.3
133.02855	0.5
133.06468	1.2
141.06982	6.0
142.06444	1.1
143.04889	4.2
144.05629	0.4
144.08040	0.6
145.06461	1.2
146.05997	1.3
155.06065	0.7
156.08054	8.9
157.06464	26.6
159.08009	1.1
160.07564	4.6
166.06496	0.7
170.05997	0.8
171.04346	4.3
172.57304	0.4
174.09116	34.9
175.07518	1.9
175.09343	0.6
180.49480	0.3
184.05905	0.9
184.07549	17.7
185.05951	100.0
186.06401	2.5
187.07530	1.2
188.07047	1.5
201.07791	0.4
202.08601	61.5
203.07162	0.7
203.08969	1.0
205.52628	0.4
212.07150	0.7
212.09088	0.6
213.05444	0.8
230.08081	73.3
231.08385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0811
Annotation	Bruceolline H
Peak:m/z	Relative Intensity
55.01851	3.3
57.02666	1.2
62.25306	1.2
67.05480	3.1
69.03442	1.5
70.06575	2.6
70.14361	1.3
70.14693	2.5
72.08187	1.2
81.07034	2.3
82.44288	1.1
84.67255	1.0
86.06043	1.7
91.05468	2.4
98.06076	2.4
105.07029	1.2
106.94829	1.2
107.08578	1.3
109.10171	1.6
110.10496	1.7
110.19357	1.1
115.05430	6.0
115.91552	1.1
116.11713	1.1
117.06950	1.7
119.51759	1.3
128.06223	3.5
128.56560	1.0
129.06993	24.2
130.88402	1.1
131.04927	1.1
131.08568	7.0
132.08076	13.5
141.05942	1.6
141.06915	7.0
143.04886	3.5
145.06474	1.8
146.05878	1.5
156.08092	8.3
157.06456	25.4
159.08113	2.3
159.11618	1.3
160.07552	5.2
169.36115	1.1
170.05966	1.5
171.04395	4.1
171.05641	2.5
173.13213	1.4
174.09134	36.4
184.07533	14.0
185.05952	100.0
186.06317	1.9
188.06978	1.3
198.32550	1.1
202.08595	67.5
203.07027	1.3
212.09122	1.7
230.08090	75.3
230.09973	3.1
230.18967	11.4
231.09204	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	230.0809
Annotation	Bruceolline H
Peak:m/z	Relative Intensity
55.01862	8.5
70.06575	0.9
70.51127	0.6
70.51469	0.7
71.04973	0.8
86.09705	1.1
87.10048	0.5
87.65960	0.5
91.05465	1.5
95.04899	0.5
95.47707	0.5
103.05430	0.7
106.63586	0.5
113.37801	0.6
115.03938	1.3
115.05437	12.0
116.07095	1.4
117.06995	1.5
118.06535	0.7
128.06168	4.7
129.06981	35.9
130.06570	1.1
131.04942	1.1
131.07329	0.8
131.08540	6.7
132.04468	0.7
132.08066	15.0
133.06453	1.7
141.06955	5.9
142.06522	1.6
143.04890	9.9
145.06465	2.1
146.05986	1.9
156.08060	10.6
157.05162	1.5
157.06462	32.1
158.05888	0.9
159.06837	0.6
159.08018	3.1
160.07544	5.7
161.05940	1.3
166.06537	0.6
170.05978	1.6
171.04399	6.1
174.09117	32.6
175.07520	2.0
175.09474	0.8
184.05888	0.9
184.07547	19.7
185.05946	100.0
186.06390	2.8
187.07484	2.0
188.07030	4.0
201.07899	0.6
202.08598	58.5
203.07018	2.4
203.08743	0.9
212.07033	4.4
213.05443	6.9
230.08081	74.9
231.06387	1.2
231.08444	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.8
56.96553	12.3
68.98307	1.1
69.03413	3.7
70.06585	1.3
71.01324	0.9
71.40612	1.1
72.08138	1.7
73.06533	2.3
78.12369	1.2
82.99847	2.1
83.04988	1.2
84.04481	1.4
84.08127	2.2
84.96011	2.7
85.01393	3.7
85.02895	3.5
86.09694	1.8
86.99289	1.3
91.02456	1.7
91.05471	3.6
97.02873	4.7
98.97562	9.8
99.04429	3.1
100.99218	1.3
101.00863	23.3
103.02431	21.2
104.03824	1.3
105.07026	1.4
107.35591	1.1
109.99155	2.7
112.07616	2.5
113.00871	1.5
115.02495	1.3
116.00214	1.3
116.98632	6.7
117.03989	8.1
117.07002	1.1
119.01910	72.6
120.01990	2.2
120.03327	1.8
120.05749	2.4
121.01637	2.9
121.03476	10.2
121.87685	0.9
123.00772	1.0
123.02898	1.2
127.02372	3.1
128.00191	4.7
128.06216	1.7
129.00339	3.3
129.06976	4.7
129.10260	1.3
131.01920	5.3
133.03490	7.1
134.99655	3.1
135.05000	8.0
137.02933	22.8
143.00139	2.9
143.01883	3.3
145.03482	46.1
145.06483	1.8
146.01231	4.1
147.01373	28.3
148.05127	1.3
149.02907	2.1
149.06598	1.8
151.04541	2.7
157.03442	1.4
157.06467	3.2
158.06792	1.3
158.99625	1.2
161.01193	2.7
161.02933	15.0
161.05923	3.0
161.91847	1.1
163.04535	26.8
163.07423	2.6
165.02423	9.5
171.01337	17.3
173.02936	2.9
174.03079	1.4
174.04436	1.9
175.07550	1.7
177.00795	1.5
178.03635	1.7
179.00690	1.4
179.02527	1.1
179.03935	5.9
181.03497	1.4
183.03485	2.8
185.02885	3.3
185.04546	1.9
185.06091	1.8
186.04301	4.8
187.04510	3.1
189.02428	100.0
190.02403	1.9
191.03966	2.0
199.04405	1.2
199.14435	1.4
203.04025	1.9
203.07137	1.8
204.05446	3.3
207.01591	1.6
207.03497	23.4
207.06519	2.9
208.04695	1.3
212.04071	2.6
213.05550	2.1
213.07825	3.3
231.03510	24.3
231.06693	7.6
231.08830	2.5
231.17096	2.3
249.04457	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	231.0649
Annotation	AC1NQXYN
Peak:m/z	Relative Intensity
51.02378	1.0
53.03922	1.2
55.01863	25.4
55.05497	2.8
56.53615	0.8
59.11585	0.8
65.03931	1.1
68.99773	1.7
69.03404	3.0
70.55727	1.6
71.01333	1.1
71.04955	1.5
72.08144	17.7
77.03918	1.4
79.05031	1.3
79.05479	15.7
81.03418	2.2
81.07020	1.0
83.01333	2.5
86.09710	1.9
91.05467	31.5
95.04942	4.3
97.02872	11.3
99.00803	1.7
99.04432	4.5
103.05453	3.5
105.03387	2.6
105.04501	1.2
105.07011	10.2
107.04929	16.8
109.02842	1.2
115.03935	1.6
115.05439	26.1
116.06202	2.6
117.07014	6.7
119.04932	4.7
119.08559	9.2
120.05706	4.2
121.06499	9.0
126.49685	0.7
127.05476	1.2
128.06201	48.0
129.06982	96.9
130.07318	2.6
131.04912	5.1
131.08545	8.8
132.05713	1.2
133.02797	3.9
133.06468	18.3
135.04385	5.8
139.05400	2.4
141.06975	26.7
143.04915	6.6
144.05682	2.6
145.06471	8.7
147.04390	15.2
147.08022	27.5
148.05168	22.9
149.05888	1.0
155.06027	8.7
156.05641	1.2
157.06464	72.0
158.07141	2.1
159.04337	0.8
159.08072	4.3
159.45332	1.0
161.05956	14.9
162.22879	0.8
167.04927	1.5
169.06448	8.3
171.04347	4.2
175.07518	37.5
176.07896	1.0
184.05153	2.8
185.05949	100.0
186.06514	1.5
187.07504	1.4
189.05461	4.9
203.06999	23.9
213.05421	35.3
223.04938	0.8
231.06483	56.4
232.06670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02163	0.2
51.02382	0.8
53.03931	0.6
55.01867	2.7
55.05824	0.2
66.70910	0.2
68.99782	1.1
69.03407	0.3
77.03908	1.9
79.05468	0.3
81.03444	0.2
81.07067	0.2
86.69538	0.2
91.05473	2.7
95.04961	3.0
97.02898	0.6
98.22702	0.2
103.05460	0.7
105.03381	17.5
105.04520	1.0
105.07008	1.3
106.03708	0.3
107.04936	1.0
115.05434	1.6
116.06174	0.3
117.06939	0.4
119.04941	0.6
121.02847	0.5
128.06195	2.5
129.06987	9.4
130.07356	0.2
131.04909	0.8
131.08549	3.9
133.02837	100.0
133.06398	2.3
134.03156	1.4
134.66168	0.2
135.04395	0.3
135.07939	0.2
141.06976	0.9
143.04918	0.6
145.06451	0.4
147.04407	1.6
147.08020	1.1
148.05177	1.4
157.06470	10.2
159.08037	0.9
161.05963	4.4
171.04401	0.5
175.07530	4.9
185.05974	4.1
189.05446	0.5
203.07022	6.1
213.05484	1.1
231.06500	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	231.0651
Annotation	AC1NQXYN
Peak:m/z	Relative Intensity
50.01582	0.3
51.02377	0.6
52.99666	0.2
53.03949	0.4
54.72694	0.2
55.01865	5.2
55.05504	1.0
57.03453	0.2
63.24814	0.3
66.42487	0.2
67.05506	1.0
68.99785	0.4
69.03429	0.9
69.07058	0.5
69.28038	1.4
70.06621	0.3
71.04995	0.4
72.08160	0.8
77.03889	1.4
79.05500	0.9
81.03405	0.4
81.07047	0.8
83.04981	0.5
83.08635	0.5
86.09708	0.7
87.00819	0.3
88.64267	0.2
91.05478	4.2
91.34906	0.2
93.07030	0.5
95.04963	5.8
95.08590	0.4
97.02837	1.2
97.22215	0.3
98.98420	0.3
99.04424	0.4
100.54156	0.2
103.05461	1.5
105.03384	17.4
105.04411	1.4
105.07008	1.9
107.04939	0.6
107.08584	1.0
109.10175	0.5
109.39501	0.2
111.04411	0.3
113.06016	2.6
115.05441	3.7
116.06240	0.5
116.13150	0.3
117.06995	1.5
119.04946	0.8
119.08569	0.6
121.02928	0.2
121.10120	0.5
123.04460	0.3
127.03919	0.2
128.06201	3.4
129.06993	19.0
130.07318	0.3
131.04939	2.3
131.08560	7.6
131.10078	0.3
131.24751	0.2
133.02840	100.0
133.06470	10.1
133.10126	0.5
134.03152	1.3
141.05447	3.5
141.06984	1.3
143.04901	3.9
143.08580	0.4
144.05716	0.7
145.06442	0.8
147.04399	6.5
147.08020	1.6
151.11176	1.0
155.06050	0.3
157.06477	18.9
158.06834	0.4
159.08032	0.8
160.05138	0.3
161.05962	8.3
161.09624	0.8
169.07597	0.3
171.04405	0.7
173.06004	0.4
175.07533	17.4
177.16360	0.3
179.10626	0.4
185.05957	14.0
186.06616	1.0
187.03867	0.5
189.05452	3.5
203.07011	12.5
203.14172	0.3
213.05527	1.3
231.06488	34.5
232.06888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03936	1.7
54.56078	0.5
55.01860	4.3
55.05509	2.6
57.03421	0.6
64.04040	0.5
67.05495	2.8
69.03420	5.6
69.07050	2.2
71.04977	1.7
77.03884	1.2
79.05485	3.6
79.05865	0.6
81.03390	3.0
81.07043	5.2
83.04944	1.0
85.02883	2.6
85.06524	0.9
87.00813	0.8
91.05465	20.8
93.07031	3.7
95.04946	3.4
95.08594	2.5
97.02859	2.1
97.06513	0.7
97.10155	0.7
98.98433	0.6
99.04445	1.7
103.05430	2.3
105.03378	14.8
105.04478	1.4
105.07011	11.8
107.04936	1.0
107.08576	2.7
109.02856	1.2
109.06481	0.9
109.10127	1.9
111.04384	0.6
111.66360	0.5
115.05428	8.6
115.79562	0.6
116.06219	5.8
117.07007	14.7
119.04967	0.7
119.08560	6.0
121.06533	1.0
121.10130	2.3
127.03876	1.7
128.06204	9.9
129.05525	0.8
129.06989	19.0
130.07579	0.7
131.04942	1.2
131.08545	13.7
133.02829	100.0
133.06454	8.4
133.10095	2.2
134.03174	1.3
135.08018	0.6
135.11642	1.9
137.09581	0.7
141.06967	1.5
142.07732	1.4
143.04845	1.6
143.08536	2.7
144.05684	1.3
145.06447	1.8
145.10101	2.1
147.04367	1.3
147.08032	8.2
147.11626	1.8
149.13228	0.6
153.12679	0.8
155.06007	1.9
155.08495	0.8
156.09332	0.9
157.06467	26.8
157.10081	3.1
158.06776	0.9
159.08026	83.5
159.11609	1.4
160.08356	1.7
161.05952	13.4
161.09592	1.2
161.13271	0.7
167.14230	0.8
170.10838	0.7
171.07962	0.9
171.11638	1.5
173.09601	0.6
173.13147	1.3
175.06296	0.5
175.07523	13.0
175.09135	1.1
176.07893	0.8
177.12700	0.7
185.05945	5.3
185.09508	0.7
185.13171	1.5
186.06276	2.2
187.05960	1.0
187.07520	13.3
187.14801	0.6
189.05432	2.5
195.13721	1.2
203.07014	12.8
203.08839	1.7
203.10548	0.8
203.14243	1.2
213.05463	0.8
213.09192	0.7
213.12672	1.8
213.14575	1.1
213.16394	1.4
231.06467	14.9
231.08360	1.6
231.10170	1.7
231.13736	5.1
231.17296	4.0
231.21016	1.3
232.16927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
53.83688	0.4
55.01865	16.5
56.96552	0.6
57.03426	3.3
59.04999	3.2
69.03421	20.4
69.29256	2.3
71.04983	28.6
72.08140	2.3
73.02905	1.4
79.05487	0.4
81.07063	1.1
81.30820	0.4
85.02894	1.2
86.09692	9.0
87.04453	10.5
91.05473	1.9
97.02876	21.8
98.97584	0.9
99.04440	29.5
105.06988	0.8
109.50451	0.4
115.03914	100.0
116.04260	0.9
116.05731	0.5
117.05477	19.8
117.06886	1.0
119.08554	0.5
120.08135	0.5
128.06207	1.7
129.06993	5.5
130.07346	2.0
131.08540	1.1
133.02844	1.1
133.04962	0.8
133.06464	1.7
133.08452	0.5
139.05592	0.4
141.06979	1.2
143.04906	0.9
144.05296	0.5
147.04407	0.6
147.08046	1.5
153.05283	0.4
153.10413	0.6
157.06470	5.4
158.06819	1.6
159.08049	5.2
161.05942	3.0
161.07834	0.4
169.06508	0.6
171.04356	0.4
175.07506	2.4
175.09439	1.9
185.05952	4.6
185.07883	1.6
186.06305	6.1
187.07489	1.2
189.05544	0.6
203.07030	5.5
203.08948	3.1
210.86128	0.5
213.05455	2.4
213.07394	0.8
231.06471	3.1
231.08463	6.6
231.17021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1589
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.01875	25.6
55.05500	31.8
67.05502	47.3
69.03429	33.8
69.07076	23.5
71.00071	18.3
71.04971	67.9
79.05486	39.9
81.03396	17.8
81.07043	100.0
83.04996	31.5
83.08588	19.1
85.03414	12.1
89.60758	11.0
91.05468	37.2
93.07017	64.9
95.04945	21.5
95.08619	51.4
97.02902	17.2
97.06494	33.7
97.10120	14.6
98.77656	11.8
102.31739	12.1
105.07014	43.5
107.08584	36.4
117.07001	15.9
119.08571	19.1
121.10146	14.7
128.06207	16.6
129.07010	50.3
131.08557	39.2
133.02815	90.5
133.10112	15.5
135.08150	15.5
135.11702	48.3
147.04395	19.6
147.11737	21.4
149.13271	28.7
157.10138	13.1
159.11710	33.0
165.42699	12.3
175.07570	21.2
177.12724	28.0
185.06035	20.1
186.06329	22.3
195.13782	40.0
203.08916	31.3
205.74397	13.3
213.13022	15.4
213.14841	55.3
231.02852	37.1
231.06503	49.8
231.10143	21.5
231.13776	44.6
231.17358	14.3
247.11324	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	231.1589
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.03944	1.4
53.71175	0.6
55.01864	6.3
55.05497	6.0
57.03429	1.6
64.64925	0.7
65.03934	0.8
67.05494	11.6
69.03423	7.2
69.07056	4.4
70.05965	0.7
70.75869	0.8
70.76210	0.9
71.04988	5.4
72.08140	1.4
73.06546	0.7
77.03922	1.5
79.05484	9.1
81.03402	3.0
81.07047	14.6
83.04973	5.5
83.08627	3.7
83.09021	0.8
85.02900	2.7
85.06529	1.8
87.00809	0.8
91.05469	25.7
93.07036	10.4
95.04946	4.5
95.08592	8.1
97.02885	2.0
97.06504	6.1
97.10136	2.3
99.04427	1.6
99.08104	0.9
100.63933	0.6
103.05447	2.3
105.03389	14.8
105.04476	1.6
105.06335	1.2
105.07017	14.8
107.04900	1.9
107.08575	6.6
109.02824	0.9
109.06494	1.5
109.10141	3.0
111.08057	0.9
115.05437	10.2
116.06213	5.4
117.07002	17.2
119.08571	7.9
121.06477	1.7
121.10151	3.5
123.11706	1.4
125.09615	2.0
127.03882	1.1
128.06213	8.7
129.06978	22.5
130.06488	1.0
130.07359	0.9
131.04872	1.6
131.08546	18.1
132.05644	0.8
133.02831	100.0
133.06445	7.3
133.10075	5.1
134.03174	1.9
135.08014	1.6
135.11659	4.0
137.05890	1.0
141.06993	2.8
142.07782	1.3
143.04842	1.9
143.08578	3.7
144.05702	1.5
145.06476	1.7
145.10103	4.1
147.04405	1.3
147.08034	10.2
147.11673	2.3
149.09583	1.0
149.13231	4.1
155.06050	2.0
156.09300	1.5
157.06462	28.6
157.10091	3.9
158.06834	1.3
159.08029	88.3
159.11610	4.7
160.08377	2.5
161.04678	1.3
161.05954	13.0
161.09599	1.2
161.13223	1.1
162.65666	0.8
167.14241	3.2
170.10878	0.9
171.04422	0.8
171.07938	0.9
171.11661	3.2
173.13263	2.8
175.07530	13.6
175.09190	1.3
175.11128	0.9
175.14787	1.2
177.12711	2.1
185.05974	4.9
185.09537	1.7
185.13223	2.9
186.06282	2.8
187.07510	12.5
189.05487	2.2
189.08980	0.9
189.12770	1.1
195.13779	7.0
198.10353	1.2
203.07001	13.9
203.08885	1.7
203.10675	2.7
203.14299	1.0
213.05556	1.5
213.08981	1.3
213.12712	3.0
213.14813	8.0
213.16159	1.1
231.06459	14.9
231.08347	1.8
231.10191	1.6
231.13696	7.1
231.17302	5.2
231.21024	1.3
232.16953	1.2
240.82169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82179	0.9
51.93336	0.8
53.03934	1.4
55.01858	3.0
57.07070	35.8
57.76477	0.7
60.04248	0.9
60.04519	10.6
60.71647	0.8
62.50088	0.7
63.81450	0.8
70.02934	3.5
70.91751	1.0
73.89785	0.9
78.55548	0.8
81.03402	3.5
82.03725	1.8
85.06535	18.8
86.09723	5.3
88.03982	70.7
91.05468	1.1
92.05732	0.9
102.05531	100.0
115.05472	1.4
116.05762	2.5
129.06949	2.6
130.04970	2.7
130.07306	8.4
131.08618	1.0
133.02837	2.4
133.06442	1.2
134.03175	2.0
134.06805	3.5
142.07275	1.4
144.05212	2.4
146.06810	1.5
148.06027	75.6
148.69035	0.9
149.02328	1.6
150.02684	1.9
157.06505	1.7
158.06815	11.1
162.06291	3.0
164.31668	0.9
174.12744	1.2
175.07556	1.6
176.07877	6.0
185.05972	1.3
186.06299	9.0
186.11244	2.2
190.05855	1.5
200.09210	0.9
204.07414	5.2
214.05830	2.0
214.10725	1.6
232.06828	15.7
232.16893	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1542
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
52.17252	0.2
57.03434	1.4
58.06604	0.4
60.08156	7.5
63.75822	0.2
66.19952	0.2
69.03413	0.3
70.06585	0.4
70.11631	0.6
71.04988	2.0
72.08158	0.6
84.08165	0.3
85.02895	100.0
86.03230	0.7
86.09696	0.2
87.60709	0.2
127.40948	0.2
130.07288	0.4
130.79803	0.2
141.97470	0.2
144.10181	2.0
158.06866	0.3
160.04166	0.2
160.08492	0.2
170.11818	0.5
173.08072	10.3
174.12685	0.3
179.79359	0.2
185.00186	0.2
213.04987	0.2
232.06691	0.3
232.15401	20.0
233.15648	0.3
243.71437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2057
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
55.05492	0.5
55.65013	0.2
56.68046	0.2
58.35762	0.2
59.32446	0.2
67.04227	0.5
67.05483	0.3
69.27696	1.0
70.06226	0.3
70.06579	3.6
79.05469	1.0
81.07039	1.2
83.07342	0.6
84.08112	0.4
86.73290	0.2
88.07615	0.2
88.25874	0.2
91.05472	0.6
93.07040	1.0
94.06552	0.5
95.07346	0.7
96.08115	0.7
97.08911	0.2
105.07022	1.6
106.06558	0.3
106.67575	0.2
107.07305	0.4
107.08564	0.7
108.08109	1.4
109.08846	0.2
110.09635	0.3
119.08561	0.8
120.07296	0.4
120.08091	4.4
121.08890	1.6
121.10143	0.2
122.09667	1.7
131.08546	0.3
133.08849	0.5
134.09628	1.5
134.10706	0.2
135.10432	0.4
136.11189	0.2
146.09631	1.5
147.10411	0.6
148.11179	2.8
148.12253	0.1
149.11971	0.3
149.85857	0.2
150.12761	5.6
160.11223	1.1
161.11935	0.3
162.09135	0.3
162.12764	0.5
167.76346	0.2
174.12758	4.0
175.13588	0.3
176.14310	0.5
188.14314	3.6
190.15886	2.9
192.14830	0.2
200.07057	0.7
202.15845	1.8
203.14737	0.4
203.16647	8.0
204.17354	0.7
217.07336	0.3
220.40727	0.2
232.09784	1.0
232.20563	100.0
233.20906	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0441
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
53.03930	0.4
57.46171	0.2
65.03928	0.6
77.03905	0.4
78.04705	0.5
81.07058	0.2
91.05466	13.9
93.07031	4.7
95.04970	1.5
95.08623	0.2
103.05430	0.5
105.03381	0.5
105.04524	0.4
105.07002	0.5
106.04155	1.2
107.04937	0.6
107.08587	0.3
109.06500	3.0
115.05421	0.3
117.06991	0.3
118.04129	0.3
119.06050	1.7
119.08537	0.4
121.06489	36.1
122.06830	0.6
131.08545	0.3
133.02837	0.6
134.03612	13.3
145.10103	0.3
147.04379	0.6
148.05164	0.5
149.05960	17.3
150.06329	0.3
159.11620	0.5
161.02316	1.5
161.06012	0.3
162.03111	1.7
172.05263	0.2
175.03856	0.3
177.05447	7.0
187.14694	0.3
190.02582	5.0
191.03317	0.6
201.05380	0.2
205.04944	4.3
205.08580	0.4
218.02072	7.5
219.02428	0.4
219.04431	0.2
233.04408	100.0
233.22224	0.3
234.04771	2.1
237.90031	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	233.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05494	0.2
65.03932	0.5
67.05496	0.5
69.03419	0.3
69.72149	0.7
77.03923	0.6
78.04690	0.3
79.05485	0.9
81.07043	1.0
89.03902	0.2
91.05470	15.6
93.07033	6.5
95.04951	2.1
95.08618	0.6
100.29195	0.2
103.05452	0.4
105.03352	0.5
105.04484	0.5
105.07020	1.7
106.04171	1.2
107.04941	0.6
107.08585	0.8
109.06506	3.4
109.10181	0.3
117.07053	0.6
118.04123	0.5
119.04874	0.2
119.06068	1.2
119.08567	1.5
121.06491	36.5
121.10108	0.9
122.06847	0.5
123.08057	0.5
128.06168	0.2
131.04924	0.4
131.08553	0.8
133.02829	0.5
133.06543	0.2
133.10095	0.7
134.03618	14.1
134.10947	0.3
135.08040	0.4
135.11632	0.2
143.08572	0.3
145.06454	0.7
145.10085	1.1
147.04376	0.8
147.08018	0.4
148.05188	0.8
149.05962	18.3
150.06296	0.4
159.08122	0.3
159.11649	0.8
161.02324	1.4
161.06038	0.4
162.03101	2.4
172.26056	0.2
173.05885	0.3
173.09642	0.4
173.13182	0.4
175.03734	0.3
177.05458	7.3
177.08984	0.3
187.14815	0.8
189.05432	0.4
190.02585	5.4
191.03287	0.3
197.13223	0.3
205.04929	4.5
205.06763	0.4
205.15723	0.3
215.14235	0.7
218.02074	8.5
218.05518	0.4
233.04413	100.0
233.15253	2.3
234.04747	1.6
245.97482	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	233.0444
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
51.02377	1.4
51.83522	0.8
53.00290	1.6
53.03929	1.8
53.04164	0.8
55.01862	2.8
63.02363	3.0
65.03945	4.9
67.05474	1.1
68.99783	7.7
69.03384	0.8
69.07054	1.6
69.53857	0.7
70.74877	1.5
72.08111	0.8
77.03900	5.5
78.04694	2.7
79.01820	0.8
79.05495	11.2
81.03386	1.2
81.07039	2.1
85.02895	10.7
86.09685	2.8
89.03913	19.9
90.04687	2.1
90.98229	0.8
91.05473	24.4
93.03384	2.5
93.07031	2.9
95.04961	9.5
95.08569	1.2
97.06510	3.9
98.23325	0.9
101.03876	2.9
102.04678	2.0
103.05460	20.8
105.03391	5.1
105.04472	3.7
105.07014	9.2
106.04178	6.0
107.04933	3.1
109.06520	2.4
109.95014	0.7
113.02377	3.7
115.05443	7.3
117.03380	12.4
117.06966	2.3
118.04145	9.3
119.04932	15.5
120.02095	1.2
121.02860	7.2
121.06489	9.6
121.10059	1.5
128.06235	1.4
129.03339	2.7
129.04369	0.8
131.03954	1.2
131.04922	17.6
131.08528	1.6
133.02834	1.7
133.06465	6.0
133.10146	1.1
134.03625	23.9
135.04427	11.4
137.05952	3.3
141.01810	3.5
145.02835	18.7
145.06442	3.9
145.10110	2.2
146.03630	7.9
147.04395	15.0
149.02333	3.8
149.05965	17.5
157.02835	7.7
159.04404	16.4
161.02309	1.3
161.05969	25.6
162.03093	14.1
163.03894	15.7
170.56885	0.8
172.05153	1.7
173.02321	17.1
173.05952	2.3
174.03053	3.0
174.06767	0.9
175.03874	19.5
175.11031	0.8
177.05450	36.4
183.04379	0.8
187.03917	6.5
187.07529	1.3
187.14882	0.8
189.05446	67.7
190.02547	2.5
190.06067	1.3
191.03368	20.9
201.01805	8.7
201.05386	1.3
202.05960	2.4
203.03409	3.9
203.06982	2.0
205.04941	75.8
206.05263	1.8
215.03421	1.3
215.06993	1.7
215.10577	1.0
233.04419	100.0
233.08168	3.6
233.11845	2.0
233.15324	3.1
233.19020	1.1
234.04723	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0805
Annotation	Granulosin
Peak:m/z	Relative Intensity
51.02407	0.2
53.03936	0.2
55.01868	0.4
61.72024	0.2
65.03922	0.3
67.01871	0.2
68.99763	0.8
69.03430	0.2
77.03908	0.2
79.05490	0.3
81.03413	0.1
82.71243	0.1
83.01333	1.0
91.05465	4.2
93.03427	0.2
93.07017	1.3
95.04945	0.9
103.05454	1.1
105.03422	0.2
105.04520	0.2
105.07008	0.5
106.04147	0.6
107.04892	0.2
109.06505	0.5
111.04501	0.2
115.05440	8.7
116.06207	0.6
117.07001	16.6
118.07310	0.2
119.04953	0.9
119.08554	0.2
121.02836	0.5
121.06487	5.7
126.20869	0.2
127.05420	0.2
128.06204	2.8
129.07013	1.3
131.04903	2.1
133.06474	0.4
134.03616	1.5
134.07239	0.5
144.05687	0.7
145.06465	18.4
146.06827	0.4
147.04399	2.5
147.07985	0.2
148.05157	0.3
149.02325	2.3
149.05954	3.5
149.09601	0.3
155.04897	0.3
155.06017	1.4
157.06476	0.3
157.83882	0.2
159.04382	0.6
159.08040	0.4
161.02351	0.2
161.05945	0.9
162.03099	11.8
162.06741	1.1
163.03656	0.3
164.04637	2.9
165.05406	0.3
171.04312	0.2
172.05185	0.2
173.05959	24.3
174.06584	0.9
175.03874	1.3
177.05440	3.5
177.09050	2.8
189.05385	0.5
189.09044	0.2
190.02577	18.1
190.06154	2.0
191.03012	0.4
192.04109	0.5
200.04774	0.4
201.05550	1.2
203.03360	12.5
204.03725	0.3
205.04929	100.0
206.05276	2.2
217.04909	1.5
218.05725	2.4
233.08046	91.2
234.08377	2.0
246.07654	0.3
249.99460	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	233.0805
Annotation	Granulosin
Peak:m/z	Relative Intensity
50.10524	0.2
53.03958	0.3
55.01859	0.5
65.03921	0.3
68.87237	0.2
68.99794	0.7
69.03413	0.4
71.43562	0.3
77.03924	0.4
79.05496	0.4
83.01330	1.1
91.05470	4.2
93.07014	1.5
94.06527	0.3
94.72927	0.2
95.04980	0.4
103.05474	1.2
105.07024	0.6
106.04164	0.8
107.04994	0.5
109.06506	0.3
115.05443	7.5
116.06261	0.7
117.07003	17.8
118.07347	0.3
119.04910	0.8
119.06082	0.3
119.08591	0.4
121.02859	0.3
121.06493	6.2
127.05423	0.4
128.06212	2.9
129.06981	1.8
131.04913	2.1
133.06490	0.6
134.03601	1.4
134.07256	0.3
144.05618	0.6
145.06471	18.8
146.06805	0.3
147.04399	2.5
149.01183	0.3
149.02310	2.2
149.05969	3.2
149.09636	0.6
150.58372	0.2
155.04910	0.4
155.06058	1.2
157.06548	0.3
159.04369	0.6
160.21323	0.3
161.02362	0.3
161.05952	0.7
162.03102	12.6
162.06712	1.3
164.04636	3.2
172.05110	0.4
173.05966	24.4
174.06575	1.1
175.03815	1.5
176.04611	0.4
177.05444	3.7
177.09044	2.5
189.05350	0.4
190.02588	19.6
190.06189	2.3
191.03038	0.4
201.05426	1.1
203.01891	0.3
203.03369	13.9
205.04938	96.9
206.05299	2.1
217.04958	1.0
218.05713	2.5
218.34216	0.2
233.08054	100.0
234.08427	2.4
234.22116	0.4
246.07510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0806
Annotation	Granulosin
Peak:m/z	Relative Intensity
55.01849	0.5
68.99770	0.6
69.03403	0.3
69.47864	0.6
69.48249	0.5
77.03893	0.3
79.05502	0.4
79.44293	0.2
83.01331	0.9
91.05466	3.2
93.07017	1.6
95.04951	0.9
101.30997	0.3
103.05457	0.9
105.07014	0.6
106.04192	0.7
109.06487	0.4
115.05437	5.5
116.06184	0.4
117.07005	11.4
119.04893	0.8
119.08596	0.3
120.05761	0.3
121.02860	0.4
121.06493	6.1
123.04411	0.3
128.06206	2.5
129.06958	1.2
131.04903	2.2
134.03612	1.8
134.07266	0.5
145.06464	13.1
147.04372	1.3
149.02347	1.3
149.05971	3.0
155.06029	0.8
159.04417	0.2
161.02286	0.3
161.05966	0.5
162.03098	12.7
162.06779	0.7
164.04677	1.7
173.05956	17.7
174.06546	0.8
175.03877	0.8
177.05444	3.4
177.09074	2.0
190.02583	18.5
190.06114	1.2
191.03047	0.5
192.04037	0.3
201.05460	0.5
203.03371	5.5
205.04933	100.0
206.05247	2.1
217.04866	0.9
218.05724	1.6
231.34753	0.3
232.25594	0.3
233.08051	46.4
234.08391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0806
Annotation	Granulosin
Peak:m/z	Relative Intensity
51.02377	0.2
55.01862	0.5
65.03945	0.2
67.01859	0.2
68.87563	0.2
68.99773	0.6
69.40470	0.2
70.56838	0.5
71.01879	0.2
77.03931	0.2
78.04704	0.2
79.05470	0.4
83.01320	1.4
91.04915	0.1
91.05458	4.3
91.05982	0.4
93.07041	1.2
95.04957	0.6
103.05430	1.0
104.50098	0.2
105.03390	0.3
105.07016	0.7
106.04129	0.5
107.04943	0.4
109.06498	0.4
115.05442	7.7
116.06213	0.8
117.06999	15.7
118.07388	0.2
119.04935	1.0
119.08546	0.7
119.50092	0.2
121.02858	0.4
121.06487	6.2
121.07319	0.5
127.05475	0.3
128.06207	2.5
129.06990	1.1
131.04901	2.3
133.02809	0.4
133.06458	0.6
134.03627	1.6
134.07245	0.7
135.04333	0.4
144.05659	0.3
145.06459	17.8
146.06793	0.2
147.04404	1.5
149.02299	1.6
149.05948	2.6
149.09622	0.7
150.03091	0.3
150.06123	0.2
155.06090	1.0
159.04352	0.4
161.02345	0.3
161.05957	0.7
162.03093	11.8
162.06676	1.4
163.03787	0.3
164.04668	2.0
165.56865	0.2
173.05954	24.3
174.06561	0.9
175.03885	0.8
176.04686	0.2
177.01904	0.3
177.05447	3.4
177.09096	3.9
189.05524	0.3
190.02574	16.7
190.06190	1.8
191.03050	0.4
192.04185	0.3
201.05443	1.2
203.03354	3.7
203.05237	0.3
205.04926	100.0
206.05252	2.1
217.04929	1.2
218.05701	1.6
232.25252	0.3
233.08043	43.3
234.08423	1.2
246.07570	0.7
251.53140	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	233.0807
Annotation	Granulosin
Peak:m/z	Relative Intensity
50.60153	0.3
55.01866	0.4
59.81716	0.3
59.92355	0.3
60.13325	0.3
67.73717	0.3
68.99781	0.6
70.06709	0.7
70.07053	0.3
77.38748	0.3
77.91162	0.3
83.01328	1.3
91.05473	3.5
93.07034	1.4
95.04954	0.4
98.13903	0.3
102.04645	0.4
103.05423	0.8
105.03391	0.5
105.07005	0.5
106.04153	0.6
109.06499	0.3
109.90169	0.3
110.85896	0.4
115.05444	5.4
117.07010	11.2
119.04923	0.8
121.06499	6.8
128.06218	2.0
129.06993	1.4
131.04916	1.6
133.06468	0.5
134.03624	1.4
145.06480	11.5
147.04347	1.2
149.02330	1.5
149.05966	2.9
155.06027	1.2
162.03101	10.9
162.06746	1.0
164.04649	2.4
173.05972	17.1
174.06685	0.5
175.03874	0.8
177.05424	2.6
177.09055	1.5
190.02596	19.1
190.06206	1.3
191.02882	0.5
201.05481	0.8
203.03374	6.0
205.04945	100.0
206.05330	2.2
217.04956	0.6
218.05734	1.7
233.08064	44.7
234.08368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0807
Annotation	Salfredin B11
Peak:m/z	Relative Intensity
53.03935	0.3
55.01869	1.8
55.05512	1.3
65.93426	0.2
67.05492	1.0
69.07072	0.3
71.44407	0.3
77.49640	0.3
79.01829	1.0
79.05482	2.9
81.07056	0.7
83.01329	2.4
91.05457	2.0
93.07023	1.1
95.04949	1.5
95.08609	0.5
97.60011	0.2
98.97581	0.3
103.05431	0.6
105.04493	0.6
105.06979	0.6
107.04243	0.4
107.04940	6.4
107.08567	0.5
109.02865	0.6
109.10123	0.4
115.05462	0.6
116.06220	0.5
121.06462	0.7
121.10097	0.4
123.04417	0.7
128.06233	0.4
129.06920	0.4
131.04907	2.3
131.08568	1.9
135.04401	13.4
135.11662	0.4
137.02333	0.7
141.06972	0.8
144.05656	0.4
145.02814	0.4
145.06465	0.3
149.02284	0.5
149.05989	2.3
150.03053	0.3
159.04382	1.2
159.08058	2.5
159.11745	0.3
163.03886	17.4
169.06537	0.3
173.05910	0.4
177.05444	3.0
177.09105	0.9
178.06223	1.7
187.07501	3.3
191.03365	100.0
192.03712	2.0
205.04933	4.5
205.08539	0.8
215.06924	0.4
218.02110	2.2
232.05986	0.8
233.04315	2.2
233.08049	45.8
233.11792	1.2
233.18913	0.8
233.22617	0.9
234.08412	1.1
241.36424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1493
Annotation	Thr Leu
Peak:m/z	Relative Intensity
55.05507	0.4
56.05027	18.0
56.96555	3.6
57.03426	3.2
58.06587	3.3
69.07089	0.4
72.08141	0.9
74.06068	100.0
75.04467	0.5
75.06425	0.5
84.04490	3.0
84.08144	0.6
84.96065	0.4
86.09693	21.2
93.55749	0.4
95.53259	0.3
98.97578	1.0
100.99195	0.5
101.07110	1.8
107.04936	0.5
108.87949	0.4
116.98635	1.2
126.12801	0.6
128.98630	0.6
132.05211	0.4
132.10184	15.4
134.08092	0.4
134.99622	0.6
142.12247	1.1
143.11847	0.6
146.99651	0.9
165.00716	0.7
169.13329	1.3
173.01216	1.5
187.14384	9.5
187.16023	0.7
190.98685	0.8
191.02260	1.6
208.99741	1.4
215.13838	3.2
220.01866	0.4
233.09285	0.9
233.14891	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	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.61535	1.1
53.03927	2.3
55.05507	6.6
67.05499	7.5
67.75463	1.3
69.03413	5.6
69.07052	3.7
69.50649	1.4
69.62659	4.1
69.63026	1.4
71.04953	1.6
77.03901	2.4
79.05482	74.6
81.07055	8.3
83.08609	6.5
83.09747	1.3
85.06552	2.2
86.77664	1.3
91.05474	8.9
93.07030	11.6
95.04958	10.5
95.08575	5.9
97.06521	1.4
98.97607	3.2
105.04502	3.0
105.07009	12.1
107.04942	70.9
107.08595	11.9
108.42003	1.4
109.06471	2.0
111.08053	4.7
116.98613	2.8
117.06963	2.5
119.08591	8.3
119.09277	1.5
121.06474	1.8
121.10121	12.5
125.09573	4.2
125.71516	1.5
131.08522	9.1
133.10097	10.8
135.08084	1.3
135.11693	6.3
137.09544	1.5
145.10107	5.0
147.11671	11.1
149.09601	9.2
149.13245	6.3
157.10110	2.9
158.10884	2.0
159.11671	2.5
160.08755	2.5
173.13271	8.0
175.11162	9.3
178.95979	2.0
180.98787	1.2
183.85007	1.5
187.14723	1.7
191.14275	66.4
215.14323	1.8
215.17897	8.8
233.09218	2.8
233.15318	100.0
233.18747	10.7
234.15749	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
51.17960	2.1
53.03935	3.0
55.01861	2.2
55.05511	10.5
57.03427	2.7
57.07062	5.2
65.03918	3.7
67.05492	26.3
69.03415	3.8
69.07062	12.3
69.24593	6.9
71.04951	3.4
79.05483	28.8
81.07048	52.5
83.04957	6.3
83.08607	3.8
91.05468	55.5
91.06041	2.8
92.06248	3.3
93.07032	88.5
95.04958	17.7
95.08595	49.0
97.06522	5.4
99.04460	3.2
103.05488	3.3
105.03383	3.4
105.04497	2.8
105.07018	74.2
106.07804	4.7
107.04933	3.4
107.08591	40.1
109.06489	6.0
109.10160	11.7
111.08056	6.4
115.05437	4.5
116.06232	2.1
117.07001	20.1
119.04848	2.5
119.08563	100.0
121.06506	9.2
121.10134	34.5
123.08025	7.2
123.11671	5.5
124.29173	1.9
125.06015	1.9
128.06140	2.6
129.06989	6.4
130.07773	2.7
131.08554	48.6
133.06476	2.5
133.07588	2.1
133.09174	3.6
133.10114	50.1
134.10899	43.0
135.08020	9.5
135.11690	17.3
137.05974	6.3
137.09595	8.2
139.07518	3.4
141.06958	3.3
142.07707	2.2
143.08553	9.4
144.05763	2.8
144.09297	3.7
145.06512	10.1
145.10103	55.9
147.08040	27.8
147.11678	12.5
149.05899	2.2
149.09631	5.2
149.13220	3.0
151.11133	2.4
154.06815	2.2
155.08574	2.7
157.10104	8.6
159.08080	9.2
159.11676	66.8
159.84222	2.1
160.12415	7.3
161.13210	4.4
163.07468	3.4
163.11147	4.5
169.10062	2.5
171.11630	2.5
172.08772	1.8
172.12405	2.6
173.05969	7.4
173.09599	14.9
173.13225	11.4
175.11095	3.4
175.14767	2.7
177.09062	12.1
177.12599	1.8
177.16351	3.8
186.10417	3.2
187.07553	3.5
187.11139	7.9
187.14780	61.8
188.08313	2.5
189.12601	3.3
189.16422	3.7
191.03363	4.0
191.10588	2.7
191.14253	2.2
197.13216	6.0
203.10745	2.9
205.12204	2.5
205.15863	7.4
215.10751	9.1
215.14268	26.5
215.17899	5.5
233.08043	6.6
233.11636	7.4
233.15320	78.7
233.18997	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	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
55.01872	0.6
55.05494	2.0
57.07068	1.0
67.05496	3.5
69.03439	0.8
69.07059	1.7
71.04974	1.1
78.56190	0.5
79.05479	7.6
81.03415	0.5
81.07047	12.6
83.04963	0.9
85.02908	1.0
85.06525	0.6
87.71490	0.5
91.05463	14.9
92.06258	2.0
93.07034	18.7
95.04963	2.9
95.08595	7.5
97.06520	1.2
99.04473	0.7
102.49712	0.5
105.04537	0.6
105.07020	14.9
106.07803	1.9
107.04961	1.8
107.08585	9.8
109.06493	1.8
109.10138	1.5
111.08073	1.4
115.05425	1.3
116.06283	0.8
116.74483	0.6
117.07009	5.9
119.08564	100.0
120.08887	2.3
121.06504	3.6
121.10129	14.7
123.08017	1.4
128.06201	1.0
129.06976	1.7
131.04900	1.0
131.08551	8.0
133.06477	1.1
133.10112	18.4
134.03583	1.0
134.10893	32.6
135.08046	4.9
135.11633	1.9
137.09563	0.8
139.07562	0.9
143.08575	0.9
144.09370	0.6
145.06458	2.2
145.10117	9.7
147.04327	0.8
147.08037	1.1
147.11652	1.8
149.05946	1.2
149.09631	0.8
151.07486	0.8
155.08565	0.8
157.10114	1.5
158.07320	0.6
159.04449	0.9
159.08002	1.7
159.11662	12.4
161.05937	0.9
161.09602	0.8
161.13263	0.9
162.03091	1.7
163.11221	0.8
169.10057	0.8
171.11638	1.0
172.08839	0.8
173.06004	1.5
173.09598	3.4
173.13193	1.7
174.06740	1.1
175.03851	0.6
175.11160	0.7
177.05476	1.7
177.09027	1.8
187.07549	1.6
187.11241	2.6
187.14793	9.6
189.05435	0.7
190.02617	0.8
191.03349	0.8
191.10622	0.9
197.13242	2.7
203.06955	1.0
205.04939	4.5
205.08556	0.6
215.06924	0.6
215.10716	1.3
215.14375	3.5
215.17838	0.7
218.02074	2.4
233.04408	6.6
233.07964	7.4
233.11749	2.7
233.15321	29.2
233.18993	1.5
234.15636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.62365	1.3
55.01854	1.5
55.05501	8.7
57.07055	2.8
59.04988	1.2
59.10526	1.3
65.03917	1.3
65.11143	1.2
67.05492	12.3
69.03410	3.1
69.07059	9.2
69.20161	2.2
69.20560	6.9
71.04977	3.0
73.90462	1.2
79.05484	15.3
81.03405	1.6
81.07041	34.8
83.04947	3.2
83.08607	2.1
85.06532	2.0
87.04438	1.3
88.54174	1.3
88.77190	1.2
91.05463	29.5
93.07030	45.3
95.04969	8.8
95.08594	26.5
97.06511	4.0
98.23526	2.5
99.04449	1.4
100.18537	1.3
103.05427	2.1
105.04473	2.9
105.07014	100.0
107.04904	3.9
107.08572	24.9
109.06492	5.0
109.10133	15.8
111.04466	2.0
111.08053	3.9
115.05410	3.4
117.06992	12.0
119.04881	1.3
119.08561	74.9
121.06501	8.6
121.10121	16.0
123.08044	4.8
123.11723	2.3
125.05987	2.9
128.06189	3.1
129.06987	5.9
130.07761	4.8
131.04938	2.7
131.08548	31.5
133.10110	40.0
133.11131	2.1
134.10892	15.9
135.08028	4.2
135.11641	3.7
137.05917	2.1
137.09532	1.8
139.07529	4.0
141.06995	1.6
141.85985	1.3
143.08537	5.5
144.05696	1.4
144.09293	3.0
145.06436	4.9
145.10098	70.1
147.04459	1.7
147.08022	4.0
147.11647	20.6
149.05954	7.8
149.09595	4.8
149.13213	1.8
151.07378	1.3
153.09059	2.4
155.08492	3.3
156.09355	1.7
157.10080	3.6
158.10893	3.0
159.04366	3.1
159.08017	7.5
159.11661	28.7
160.12375	1.4
161.05956	2.1
161.09589	2.1
161.13235	4.8
162.03059	2.6
162.53766	1.3
163.07498	8.4
163.11140	3.5
169.10196	1.4
171.11699	1.9
172.12389	4.7
173.05927	3.5
173.09583	15.6
173.13228	14.4
174.06680	1.8
175.07510	1.5
175.11163	1.7
177.05450	4.5
177.09090	11.6
177.16130	1.3
187.07518	2.8
187.11143	3.7
187.14786	54.7
189.09209	2.0
189.16385	6.5
190.02551	4.0
190.06235	3.3
191.10617	5.1
197.13245	5.3
203.07025	2.0
205.04901	9.1
205.06561	1.4
205.08575	3.7
205.15868	2.9
215.07066	2.4
215.14262	21.8
218.02065	5.2
218.05681	5.3
233.04416	33.1
233.07936	23.5
233.11635	3.7
233.15315	71.8
233.19058	2.7
234.15648	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
55.01862	1.2
55.05503	15.0
57.03413	3.1
57.07064	6.4
61.88052	0.7
65.03921	1.4
67.05490	39.6
67.69703	0.9
69.03416	1.1
69.07058	11.1
69.28405	1.4
69.28802	4.0
71.04985	5.2
71.08611	1.8
77.03889	1.4
79.05477	63.3
81.07040	41.1
83.04945	1.3
83.08608	8.5
85.06543	7.4
87.76566	0.8
91.05457	33.3
93.07026	72.4
94.07420	0.9
95.04942	9.0
95.08586	29.2
95.09200	1.5
97.06507	8.9
97.10148	2.3
98.23434	1.8
98.65871	0.8
98.97620	0.8
99.08074	5.1
103.05437	1.6
105.03358	1.0
105.04453	2.4
105.06342	1.7
105.07008	23.6
107.04942	1.5
107.08572	49.0
109.06508	4.6
109.10130	12.8
111.08064	6.7
113.09644	1.1
116.19071	0.8
116.98582	0.9
117.07013	12.7
119.08549	19.9
119.96090	0.8
121.06528	0.9
121.10122	44.1
123.08035	3.9
123.11675	6.8
125.09598	2.0
129.07001	1.3
130.07806	1.0
131.08542	31.8
133.10101	23.7
134.40556	0.8
135.07999	3.6
135.11665	47.2
136.12045	0.9
137.09610	4.3
137.13214	1.8
139.11107	2.0
143.08549	1.1
145.10094	26.8
147.11655	15.7
147.35762	0.8
149.09605	5.3
149.13220	21.3
151.11128	4.6
151.49525	0.7
159.11662	19.0
161.13249	6.1
162.09135	2.4
163.11147	2.7
163.14760	1.1
165.12712	0.9
171.11624	1.3
173.13234	19.3
175.13193	1.0
175.14771	3.2
177.05389	2.1
177.12668	1.3
178.95959	0.9
187.14731	6.9
189.16328	3.6
191.14284	1.5
205.19443	3.5
215.17909	66.1
216.18253	1.1
222.26643	0.9
233.15543	5.3
233.18944	100.0
234.19211	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1898
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03937	1.5
53.54198	0.8
55.01853	1.4
55.05503	13.5
57.03416	2.7
57.07067	6.7
61.83024	0.8
65.03924	1.6
67.05495	37.2
69.07058	10.8
70.16196	2.2
71.04973	5.8
71.08611	1.0
77.03918	1.6
79.05483	63.7
81.07047	40.6
83.04967	1.3
83.08607	6.9
84.09901	0.8
85.06535	6.8
86.51816	0.7
91.05471	32.9
93.07034	75.2
94.07340	1.1
95.04960	7.7
95.08598	27.4
97.06525	8.1
97.10159	2.3
99.08077	5.6
105.04514	2.5
105.06342	1.6
105.07020	23.4
107.08581	41.7
109.06483	3.2
109.10138	12.7
111.08083	8.0
113.09659	1.3
116.46931	0.8
117.06997	10.8
119.05978	0.9
119.08578	19.0
121.06485	1.0
121.10132	40.1
123.08033	3.7
123.11714	6.9
125.09598	2.2
129.07050	1.2
130.07787	0.9
131.08551	26.6
133.10110	24.7
133.11142	1.0
135.07997	4.4
135.11674	46.7
136.11984	1.3
137.09607	4.3
137.13243	1.3
139.11183	0.9
139.51180	0.9
144.09227	1.0
145.10109	25.7
147.11665	17.6
148.08615	0.8
149.09644	5.8
149.13239	22.8
151.11160	3.0
159.11687	18.5
161.13274	3.8
163.11133	4.0
171.11713	1.5
173.13248	16.7
175.14784	2.7
177.12671	1.5
187.14787	7.4
189.16376	3.6
189.28920	0.8
205.19550	3.8
215.17924	60.7
216.18311	1.7
233.18970	100.0
234.19232	4.0
240.45766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1898
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
50.04214	1.0
51.02359	1.4
53.03918	1.5
55.05291	1.2
55.05502	13.7
57.03421	2.2
57.07073	6.8
61.52912	1.2
63.50478	1.1
65.03931	1.3
67.05495	34.6
69.07055	11.3
69.13554	2.4
69.13963	6.4
71.04990	5.6
76.56767	1.0
77.03932	1.6
79.05484	61.3
81.07047	39.1
83.04984	2.2
83.08595	8.7
85.06532	8.6
91.05472	32.7
93.07031	68.0
95.04956	9.7
95.08013	1.8
95.08595	26.5
97.06517	6.5
99.08070	4.7
105.03362	3.5
105.04469	2.1
105.07024	25.1
107.04919	5.0
107.08580	42.0
108.05626	1.1
109.06509	5.3
109.10143	12.0
110.10459	1.2
111.08086	7.0
113.09626	1.4
117.07005	11.7
117.70427	1.2
119.07215	1.0
119.08567	21.1
121.06445	2.1
121.10131	36.2
123.08053	4.4
123.11705	6.9
125.09615	2.7
129.07005	1.4
130.07707	1.2
131.07536	1.3
131.08545	28.0
133.10109	23.4
135.08051	5.2
135.11679	40.5
137.09598	3.6
137.13284	1.6
145.10121	25.3
147.11685	15.4
149.09621	7.4
149.13234	21.8
151.11143	4.4
157.10149	1.5
159.11671	20.0
161.13246	3.3
162.09116	3.7
163.11151	3.1
173.13229	17.5
175.14825	2.1
177.17487	1.1
178.95978	2.0
181.12425	1.1
187.14772	7.6
189.06763	1.2
189.16376	4.8
191.14323	2.7
203.08575	1.4
205.19510	2.4
215.14554	2.5
215.17928	59.0
218.10963	1.3
233.15404	16.2
233.18965	100.0
234.19205	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2261
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
50.09544	0.8
53.03947	0.8
55.05507	12.9
56.97881	0.9
57.07060	2.5
65.03916	2.3
67.05495	100.0
68.05833	1.1
69.07058	13.0
69.11510	3.6
69.11916	1.9
71.04989	1.2
72.25742	0.8
72.77797	0.8
79.05482	26.8
81.07047	97.8
82.07397	1.3
83.05004	0.8
83.08617	8.8
91.05468	9.6
93.07032	33.6
95.04951	4.0
95.08591	91.4
96.08900	1.1
97.06499	0.9
97.10137	3.6
99.08061	0.9
103.05489	1.1
105.07024	5.5
107.04920	1.4
107.08576	20.3
109.06477	1.8
109.10141	40.8
111.11703	1.4
117.07001	2.3
119.08617	4.1
121.06518	1.5
121.10130	29.4
123.11686	17.8
131.08522	4.4
133.10106	3.2
135.08058	1.4
135.11678	28.3
137.13226	9.9
145.10085	3.6
147.11647	2.1
149.05934	1.1
149.09567	1.9
149.13217	14.2
151.14790	6.1
159.11703	3.2
163.03877	2.5
163.07533	1.0
163.11137	1.8
163.14790	5.5
165.16338	1.0
173.13226	2.8
177.05447	15.2
177.12560	0.9
177.16325	2.6
178.06224	16.0
187.11156	1.9
187.14854	1.4
188.08992	1.0
191.07016	4.4
191.18059	0.9
205.12117	2.3
215.10707	1.7
215.17862	6.6
233.09448	1.1
233.11665	9.3
233.15518	4.5
233.18968	49.0
233.22612	81.4
234.19240	1.1
234.22928	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.226
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
52.50259	1.4
53.03928	2.0
55.05505	14.8
57.07067	3.1
60.07906	1.4
65.03918	3.3
67.05495	95.6
69.07059	15.5
77.82910	1.3
79.05479	23.9
81.07047	100.0
83.08620	8.6
87.16189	1.6
91.05463	5.7
93.07027	32.5
95.04964	1.9
95.08593	92.4
95.13628	1.3
97.10152	4.3
100.40634	1.6
105.07021	2.5
107.04891	1.5
107.08585	16.3
109.10139	44.5
119.08570	2.7
121.06477	2.0
121.10126	26.8
123.11695	15.0
131.08537	3.3
133.10095	3.2
135.11662	24.8
137.13245	9.0
149.09624	1.4
149.13203	8.5
151.14809	4.9
163.11047	1.4
163.14778	5.2
177.05403	2.8
177.16409	3.5
178.06230	2.0
187.11015	1.3
233.09261	1.8
233.11705	2.9
233.15277	4.9
233.19049	33.5
233.22592	85.8
234.22896	3.0
236.39117	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.05506	13.0
56.41183	1.6
56.41482	1.7
57.07064	3.7
58.09179	1.5
67.05494	100.0
69.07059	15.1
71.45155	1.7
79.05482	25.6
81.07045	87.2
83.08611	8.7
91.05455	5.7
93.07034	25.5
94.46780	1.7
95.04935	3.9
95.08591	86.2
97.10149	4.6
105.07024	4.0
107.08565	14.7
109.10140	43.3
109.10878	2.6
109.26441	2.0
121.06512	3.2
121.10123	28.5
123.11673	13.9
131.08568	2.3
133.10101	2.3
135.11673	20.8
137.13234	12.5
149.13223	11.7
150.28279	1.6
151.14781	6.1
155.25935	1.6
162.09013	1.8
162.16455	1.5
163.14809	4.9
177.05453	4.9
177.16425	3.7
178.06230	3.7
185.71014	1.6
197.92160	1.8
205.14114	1.9
233.06525	1.5
233.09219	2.1
233.11569	2.0
233.15288	6.2
233.18983	38.5
233.22632	80.8
234.22934	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	234.1124
Annotation	4-Methoxynorsecurinine
Peak:m/z	Relative Intensity
53.77433	0.8
69.32775	4.3
70.06593	1.0
72.08117	0.8
79.05485	0.7
79.78693	0.7
80.05023	1.0
84.08137	1.2
88.03985	0.9
91.05479	7.6
93.06992	0.8
94.76741	0.7
95.04943	0.9
103.05476	1.0
104.04952	0.9
104.07095	1.1
105.07015	1.6
106.06512	0.7
107.04932	3.0
108.04465	1.2
115.05429	6.0
115.06145	0.9
116.04971	2.1
116.06220	1.4
117.05762	2.4
117.07005	3.0
118.06541	1.6
119.08562	1.4
120.08102	2.2
121.06494	1.4
128.06209	9.4
129.06987	48.3
130.06502	6.2
130.07318	1.4
131.04930	1.8
131.07329	4.2
131.08556	1.7
132.08064	2.7
133.05307	0.8
133.06462	1.8
134.06070	1.0
139.05408	0.9
141.06967	13.6
142.06448	1.0
143.04898	0.9
143.07297	2.4
144.05649	1.3
144.08052	2.1
145.06448	2.4
146.05940	3.4
146.09627	7.8
147.08047	2.2
148.07568	2.1
152.78522	0.7
154.06493	2.2
155.06023	2.2
155.07245	1.9
155.08426	0.8
156.08069	100.0
157.06482	17.0
157.08826	11.2
158.09639	1.4
159.06799	4.0
159.07985	1.6
160.05333	0.8
160.07568	3.6
166.06538	1.9
171.08043	1.8
172.07513	1.8
173.08153	0.8
174.05588	0.9
174.09128	28.6
175.07562	1.2
183.06784	0.8
184.07559	60.9
185.05971	1.8
185.07860	1.2
188.07019	5.0
189.09125	1.2
199.07574	1.9
202.08607	25.8
203.08891	0.7
216.10176	12.4
217.08475	0.9
217.10544	0.9
220.09756	1.2
234.11218	43.3
235.11514	1.1
235.16907	1.4
249.41310	0.7
251.61928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0598
Annotation	HOHPDA
Peak:m/z	Relative Intensity
55.01859	1.7
55.05506	0.3
57.07060	0.7
57.54725	0.3
65.03941	0.5
67.05473	0.8
69.03395	0.6
69.07058	0.6
71.44868	0.4
73.05315	0.3
79.05484	2.1
81.07029	1.3
83.04967	0.5
85.06533	0.3
91.05469	9.8
93.07006	1.2
95.04941	1.2
95.08591	0.6
103.05463	3.2
105.04471	0.3
105.07005	5.3
107.04910	1.1
107.08560	0.9
108.05710	0.5
109.06516	0.7
109.10153	0.3
110.94194	0.3
111.04420	1.5
115.05425	0.7
117.06995	0.3
118.04143	1.7
119.04925	5.6
119.08559	1.0
120.99632	0.3
121.02834	2.3
121.06469	1.0
121.10117	0.5
123.08031	1.0
129.03314	0.4
129.06996	0.4
129.11853	0.3
131.04910	7.1
133.06468	2.0
133.10094	1.0
135.04393	0.8
136.05157	1.0
137.05954	0.6
137.09529	0.4
145.06531	0.5
145.10100	0.4
146.03578	2.8
147.04381	18.4
147.11626	0.4
149.09607	0.4
151.07536	1.9
157.02847	1.8
159.04364	1.2
159.08032	0.3
159.11668	0.6
161.05949	41.0
161.13217	0.5
162.06361	0.7
163.03912	1.9
163.07471	0.4
164.04669	1.9
165.05460	0.5
173.05920	0.4
174.03041	2.0
175.03891	12.5
175.07455	0.8
175.14844	0.7
177.05377	0.4
177.12839	0.4
179.06985	2.1
179.10585	0.5
185.02298	3.6
189.05432	33.5
190.05986	0.5
191.03369	0.6
192.04143	6.7
192.05605	0.3
199.14839	0.7
202.02602	2.2
203.03244	0.4
205.04956	1.0
205.08606	0.7
206.05685	0.9
207.06450	5.9
217.04907	4.7
217.15855	0.8
235.05966	100.0
235.16794	2.9
236.06290	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	235.0962
Annotation	7-Acetyl-3,6-dihydroxy-8-methyl-alpha-tetralone
Peak:m/z	Relative Intensity
51.92554	0.5
53.03949	1.3
55.05506	0.6
57.07077	1.5
57.50517	0.5
62.01506	0.5
65.03935	0.8
65.34771	0.4
65.77001	0.5
67.05511	0.8
67.59449	0.6
71.04990	0.7
79.05476	1.5
80.43988	0.5
80.73896	0.6
81.03407	15.4
81.07046	1.3
90.15392	0.5
91.05458	7.1
93.07052	1.3
95.04962	0.6
95.08591	0.8
96.29699	0.5
102.04649	1.1
103.05477	2.0
104.06247	1.0
105.07019	2.0
107.04955	1.3
107.08613	1.2
115.05443	42.3
117.07005	59.0
119.08552	4.4
127.05404	2.7
128.06189	8.1
129.07007	3.2
130.04131	3.4
131.04912	2.5
131.08629	0.6
132.05714	4.1
133.10106	1.2
143.04900	1.7
144.05730	1.3
145.06470	100.0
146.06879	1.7
147.04378	4.7
147.08028	6.8
147.11708	1.1
149.09598	0.9
155.04781	1.4
155.06017	25.2
156.05670	23.4
157.06470	5.4
158.03616	1.0
159.04390	0.6
160.05154	3.4
161.05949	6.2
161.09647	0.7
167.07025	2.2
172.05183	0.8
172.70580	0.5
173.05962	93.5
174.06406	1.9
175.03876	4.4
175.07535	6.2
175.11148	0.9
184.05159	2.0
185.05779	0.7
189.05399	1.8
189.09126	0.6
189.12732	0.6
190.06230	42.7
191.06871	2.1
191.54761	0.5
202.06223	5.2
203.07010	18.0
204.07567	0.9
205.08577	29.2
206.08858	0.6
217.04953	2.4
217.08563	40.5
217.15674	0.7
218.08780	1.4
220.07385	0.5
235.05957	2.2
235.09578	15.1
235.13503	1.1
235.16864	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	235.0961
Annotation	Swerilactone M
Peak:m/z	Relative Intensity
55.01850	4.9
55.05490	3.3
57.03421	2.2
57.07057	6.3
57.26939	2.1
67.05495	5.3
69.03424	4.4
69.33826	10.0
76.73565	1.7
79.05470	8.3
81.03392	2.2
81.07033	10.5
83.04965	2.5
91.05463	11.9
93.07007	3.7
95.04936	2.3
95.08586	7.0
97.06528	2.5
103.05450	4.3
105.07004	17.5
107.04956	2.1
107.08565	7.6
109.06480	5.8
109.10136	2.4
111.04388	2.4
115.05413	18.1
117.06989	4.8
119.04916	3.6
119.08537	10.7
121.06499	2.7
121.10114	3.8
128.06200	7.3
129.06973	19.7
131.04889	4.4
131.08536	10.4
133.10107	5.3
135.04372	2.1
135.08002	6.9
137.05942	9.9
143.04903	13.6
143.08546	3.7
144.05687	9.0
145.06435	7.2
145.10101	4.1
147.04350	9.5
147.08038	6.1
147.11652	4.0
148.05171	2.1
149.09550	2.6
149.13173	2.0
151.03903	5.2
156.09314	2.3
157.06465	18.2
157.10095	3.7
158.07217	2.9
159.08064	4.3
160.05162	32.2
161.05946	21.3
161.09627	3.4
161.13254	3.9
162.06699	5.1
163.07506	3.9
165.05473	5.9
171.11693	2.3
172.05135	6.2
173.05957	7.6
173.13200	3.0
174.06723	7.4
175.07507	100.0
175.11052	2.8
177.09003	1.9
179.10626	3.6
187.07500	41.7
188.08235	2.6
189.05440	19.0
189.09064	12.8
189.12691	2.5
199.07436	2.9
205.08568	5.4
207.06438	4.8
217.08559	13.0
217.15862	3.1
235.05858	20.4
235.09483	22.3
235.13277	6.4
235.16849	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
51.54079	0.4
53.03934	0.9
55.05511	0.6
57.07070	0.7
67.05497	1.9
69.03410	0.9
69.07060	0.6
70.08140	0.5
70.98246	0.9
71.04987	0.6
77.03896	0.6
79.05077	0.4
79.05470	2.6
81.03404	16.0
81.07050	2.3
91.05466	9.8
91.24570	0.5
92.36565	0.5
92.37211	0.5
92.39745	0.5
93.07023	2.2
95.04929	1.2
95.08586	1.4
97.06525	0.6
102.04678	1.5
103.05461	2.7
104.06245	1.2
105.07027	3.5
107.04944	1.0
107.08573	2.0
109.06508	1.0
109.10163	1.1
115.05442	43.4
117.07005	60.9
118.04116	0.5
118.07345	1.6
119.04932	1.5
119.08570	5.1
121.02911	0.5
121.10134	1.1
123.08078	1.4
127.05378	2.7
128.06212	8.2
128.71970	0.5
129.06996	4.1
130.04121	3.2
131.04901	3.2
131.08557	0.9
132.05717	2.8
133.06459	1.1
133.10115	2.2
135.08061	0.9
135.11639	0.5
137.05998	0.5
143.04918	3.0
143.08481	0.8
144.05737	2.3
145.06468	100.0
146.06844	2.0
147.04384	5.4
147.08031	6.7
147.11649	1.1
149.09555	1.2
155.04948	1.0
155.06023	24.3
156.05663	22.1
157.06483	6.0
157.10052	0.7
159.04378	0.9
159.11725	0.8
160.05173	3.6
161.05954	8.5
161.09550	0.5
163.07538	0.6
165.05533	0.8
167.07002	2.1
172.00256	0.8
172.05145	1.4
173.05966	90.6
174.06465	2.9
175.03888	4.9
175.07536	5.3
175.11206	0.7
175.14771	1.0
177.12663	0.6
178.79132	0.5
179.10619	0.8
184.05182	1.8
185.05858	1.1
187.07478	0.7
189.05435	6.1
189.16376	0.5
190.06227	46.3
191.06845	2.2
199.14795	0.8
202.06252	4.1
203.07007	15.5
204.07681	0.7
205.08578	25.3
207.06371	0.7
217.05093	1.4
217.08568	41.4
217.15849	1.7
218.08884	0.9
235.05951	8.3
235.09587	13.0
235.13200	0.8
235.16840	5.2
252.51257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0962
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
52.41179	1.8
55.01869	3.8
55.05504	2.9
55.18167	1.9
57.07067	3.3
57.09642	1.8
67.05508	3.1
69.20068	11.7
71.04952	2.0
72.62089	1.7
72.97301	2.0
79.05492	4.6
81.03419	2.9
81.07057	5.9
83.04971	2.7
87.11279	1.7
91.05473	4.8
93.07039	5.8
95.04922	2.2
95.08601	6.7
97.06546	2.1
105.07030	6.6
107.08573	4.6
109.10110	3.2
115.05435	21.2
117.07023	9.4
119.08542	5.0
121.10153	4.1
128.06221	4.8
129.06993	15.7
133.10190	4.7
135.08026	3.1
135.11746	2.6
137.05927	4.4
143.04895	14.5
144.05640	5.6
145.06480	8.5
147.07957	3.6
147.11649	2.8
151.03885	2.9
155.06046	2.4
157.06483	8.5
160.05174	37.0
161.05907	4.4
161.09717	2.4
161.13181	2.5
170.87859	2.1
172.05125	6.8
173.05952	5.5
174.06787	6.5
175.07520	100.0
176.07831	2.1
187.07536	44.4
188.08073	3.2
189.09087	6.7
205.08537	4.4
217.08591	8.6
217.15846	5.1
235.05818	2.7
235.09436	11.4
235.16960	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	235.0962
Annotation	7-Acetyl-3,6-dihydroxy-8-methyl-alpha-tetralone
Peak:m/z	Relative Intensity
51.02385	1.0
51.14691	1.0
53.03937	2.4
55.05497	2.6
57.07056	3.6
64.16430	0.9
67.05485	3.0
69.07031	1.2
70.70341	0.8
71.13874	1.4
79.05486	2.3
81.02954	1.9
81.03409	26.2
81.07043	4.6
83.08611	1.0
85.06533	1.0
91.05466	12.0
93.07020	4.1
95.04947	2.1
95.08598	4.2
97.06541	1.2
102.04692	1.5
103.05446	2.8
104.07063	1.2
105.06998	6.4
107.04952	2.5
107.08566	3.0
109.10123	1.2
115.05441	41.0
117.07002	51.8
118.07412	1.0
119.08567	7.4
121.10126	3.0
127.05398	1.8
128.06195	6.7
129.06972	4.4
130.04121	2.2
131.04903	2.7
131.08537	1.3
132.05685	3.6
133.10112	3.4
135.11655	1.0
137.09596	1.5
143.04918	3.0
143.08600	1.3
144.05624	1.3
145.06468	100.0
145.10126	1.8
146.06883	2.0
147.04399	4.3
147.07988	7.2
147.11705	2.4
155.06026	25.2
156.05667	17.0
157.06474	7.0
159.04494	1.0
159.11662	1.4
160.05170	3.6
161.05930	5.8
161.09604	1.5
161.13229	1.9
167.07033	2.8
172.05214	1.7
173.05960	94.3
173.13205	1.2
174.06578	2.3
175.03893	3.4
175.07489	10.7
175.11140	1.7
175.14755	1.3
179.10657	2.0
184.05237	1.9
185.05832	1.7
185.07249	1.5
187.07469	1.2
189.05382	2.3
189.09181	1.5
189.16397	1.2
190.06230	43.7
191.06865	3.2
202.06213	4.8
203.07004	16.6
205.08585	24.9
207.10173	1.4
217.08577	40.1
217.15764	1.5
228.58965	0.9
235.05743	1.8
235.07503	1.5
235.09505	16.9
235.16896	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	235.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
55.05500	14.1
57.03421	3.7
57.07066	20.6
65.03925	2.4
67.05494	79.2
69.07056	14.5
71.04959	2.0
71.08617	5.2
79.05482	24.0
81.07045	100.0
83.04970	2.7
83.08597	9.9
85.06520	11.6
85.10159	4.2
91.05472	23.5
92.57589	1.6
92.89330	1.5
93.07034	24.3
95.04956	3.0
95.08591	75.9
97.06493	6.4
97.10126	3.4
98.12731	1.5
99.08092	14.0
105.07011	15.0
107.08591	15.2
109.06489	3.6
109.10149	24.3
111.08050	5.8
113.09615	6.0
119.08558	16.9
121.10124	22.4
123.08047	3.1
123.11691	21.1
127.11178	2.6
131.08525	2.6
133.10124	20.8
135.11673	17.5
137.09572	4.8
137.13245	22.7
143.08461	2.1
147.11670	14.9
149.13225	5.5
151.07590	1.9
151.14827	7.5
153.12727	3.1
161.13220	13.3
175.14795	6.3
179.10643	2.7
189.16377	3.9
217.19472	46.4
234.03291	1.7
235.11081	2.9
235.13145	4.1
235.16852	7.1
235.20526	85.6
236.20877	2.3
236.80870	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2054
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03927	1.9
55.05507	14.3
57.03421	3.0
57.07067	21.1
58.23269	1.2
65.03938	2.9
67.05495	89.5
69.07058	13.6
71.04984	3.3
71.08618	4.6
75.45879	1.4
79.05479	21.3
81.07047	100.0
83.04979	3.2
83.08604	8.6
85.06540	11.8
85.10192	6.8
91.05471	26.0
93.07032	29.7
95.04959	3.1
95.08591	78.3
97.02908	1.5
97.06509	8.2
97.10140	4.0
98.97568	1.5
99.08073	10.5
100.53455	1.5
105.04557	2.2
105.07015	11.7
107.07903	2.0
107.08573	13.9
109.06509	2.9
109.10144	26.9
111.08070	7.3
113.09623	6.0
119.08562	19.3
121.06470	1.4
121.10129	17.3
123.08034	3.9
123.11668	20.0
127.11147	3.6
133.10098	23.6
135.11673	18.2
137.09598	4.7
137.13226	19.1
139.11110	2.8
147.11647	14.3
149.13239	5.9
151.11182	2.7
151.14795	8.3
153.12729	4.2
161.13240	12.7
163.14787	2.1
175.14795	6.5
177.16368	1.8
179.10648	1.4
180.00264	1.5
189.16385	3.2
191.17873	2.5
216.58008	1.6
217.19499	44.5
228.79381	1.3
235.10922	2.7
235.13142	2.5
235.16852	5.9
235.20534	76.6
235.75525	1.6
250.03795	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03234	0.3
56.05016	0.4
65.03923	1.2
67.05492	0.5
69.07045	0.4
69.26221	1.4
79.22101	0.3
81.07050	0.7
83.04993	0.3
84.28091	0.2
91.05466	0.3
92.05006	1.9
93.07035	0.6
95.08588	0.3
96.14845	0.2
98.22662	0.6
104.07095	1.0
105.07030	0.3
107.08603	0.4
109.10148	0.4
120.04458	5.0
133.10361	0.3
148.03920	27.8
149.04295	0.6
163.07495	0.4
166.04990	0.5
176.03413	100.0
177.03764	2.2
191.07022	0.3
236.05402	5.5
236.09038	0.4
236.12846	0.4
236.16838	0.8
237.18486	0.3
242.57820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0754
Annotation	6,7,8-Trimethoxy-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
52.06803	0.2
52.55953	0.2
55.05486	0.2
67.05489	0.3
68.99782	0.2
79.05453	0.7
79.05847	0.2
81.07002	0.4
83.04961	0.2
91.05444	0.5
93.07030	0.5
95.04949	0.3
95.08576	0.4
98.23441	0.4
103.05411	0.3
105.07022	1.6
107.04926	0.3
107.08562	0.3
108.05766	0.2
109.06498	0.2
119.04945	0.3
119.08595	0.3
121.06443	0.2
121.10117	0.3
123.04380	0.6
125.74599	0.2
131.04886	0.4
133.02820	0.4
133.06451	0.7
134.03596	0.4
135.04384	0.4
135.11615	0.2
147.04379	2.2
148.05127	0.4
149.05928	1.8
150.06725	0.8
151.03865	1.3
152.04587	0.3
155.89604	0.2
159.04384	0.3
161.05928	0.5
163.03857	2.8
163.07516	0.4
164.04602	0.8
165.05452	2.5
166.06224	1.6
167.03276	0.3
175.03926	0.2
176.04622	0.7
177.05443	3.6
178.06207	1.5
179.03358	3.0
180.04141	0.3
181.04901	0.3
187.52599	0.2
191.03386	0.5
192.04137	6.5
192.06032	0.3
193.04927	5.2
193.08556	0.4
194.05704	4.1
195.06422	0.3
204.04153	0.7
205.04883	2.1
207.02843	44.2
208.03198	0.8
219.06444	0.3
219.17419	0.3
221.04427	0.6
222.05186	22.1
223.05656	0.3
237.07524	100.0
238.07838	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0756
Annotation	Orthosporin
Peak:m/z	Relative Intensity
51.02393	0.4
52.98123	0.4
55.01862	0.5
55.05513	0.9
59.04997	1.1
67.05499	1.2
69.07089	0.5
71.04982	0.6
77.55370	0.4
79.05483	1.9
79.43909	0.4
81.03413	0.5
81.07035	1.7
83.08612	0.4
83.18436	0.4
91.05477	2.4
93.07031	2.2
95.04958	1.4
95.08595	1.3
97.06520	0.8
103.05454	9.1
105.03378	0.8
105.07021	2.1
107.04930	0.6
107.08566	1.6
109.10128	0.9
111.08107	0.6
115.05442	1.4
117.07019	1.3
118.90460	0.5
119.04906	0.5
119.08566	1.1
120.05698	1.3
121.06520	0.7
121.10146	1.1
131.04910	64.6
131.08560	1.2
132.05292	0.7
133.02834	1.5
133.10130	0.6
135.04414	0.7
135.08047	1.5
137.05948	0.7
143.04968	0.8
145.06395	0.6
145.10101	0.7
147.04352	0.8
147.08052	0.5
147.11586	0.7
148.05103	1.6
149.05927	0.7
155.88135	0.5
159.04395	36.8
159.11627	0.4
160.04918	0.9
161.05905	0.6
163.03853	0.6
163.07513	11.5
173.13235	0.5
175.07564	0.9
175.11215	0.7
175.63786	0.4
176.04677	5.3
177.05412	1.2
177.12738	0.6
178.02562	1.6
187.03853	2.1
191.07010	14.0
191.14188	0.6
193.04944	3.9
201.12772	0.4
203.03355	1.8
204.04161	6.7
219.06493	100.0
220.06818	2.4
237.07478	5.5
237.14790	1.5
237.18459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0755
Annotation	Orthosporin
Peak:m/z	Relative Intensity
55.05493	0.3
55.21386	0.2
67.05487	0.5
68.99784	0.2
69.03435	0.3
69.07063	0.6
70.50295	0.6
77.03917	0.6
79.05474	0.7
81.02236	0.3
81.07038	0.9
84.84412	0.3
91.05443	1.5
93.07029	0.9
95.04945	0.9
95.08569	0.6
99.08115	0.3
103.05447	10.0
105.04507	0.3
105.06999	1.4
107.04908	0.4
107.08620	0.6
109.06538	0.3
109.10134	0.6
115.05444	1.9
117.06995	0.4
120.05704	1.4
121.06522	0.3
121.10113	0.3
125.06000	0.3
131.04901	71.1
132.05264	1.2
133.06354	0.3
133.10101	0.3
135.07985	1.3
135.11647	0.3
143.04922	0.5
147.04433	0.4
148.05171	2.1
151.11113	0.3
159.04384	40.7
160.04964	1.1
162.06667	0.4
163.03893	0.5
163.07500	14.0
164.07861	0.4
175.03830	0.4
175.07561	1.2
176.04636	5.4
187.03854	2.3
191.06992	13.9
203.03313	1.7
204.04135	6.4
219.06479	100.0
220.06865	1.9
237.07474	1.9
237.14748	0.5
237.18443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0755
Annotation	Orthosporin
Peak:m/z	Relative Intensity
52.40205	0.3
55.01860	0.4
67.05503	0.3
70.49619	0.6
77.03915	0.3
79.05474	1.0
80.33878	0.3
86.82053	0.3
88.71994	0.3
91.05454	1.0
93.07037	0.5
95.04971	0.6
103.05451	9.4
105.03334	0.3
105.04520	0.4
105.07022	0.9
107.08514	0.4
115.05426	1.6
115.96424	0.4
120.05697	1.4
124.86378	0.3
127.07988	0.3
131.04906	67.8
132.05222	0.7
135.08009	1.0
143.04872	0.7
145.06306	0.4
148.05173	1.0
159.04388	39.1
160.04874	1.0
163.07515	13.5
175.07474	1.0
176.04645	4.9
185.43678	0.3
187.03836	2.3
191.07005	13.6
191.85564	0.3
203.03346	1.3
204.04167	6.2
205.04927	0.4
219.06485	100.0
220.06808	2.1
237.07549	1.8
237.18549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0755
Annotation	FRAXIDIN METHYL ETHER
Peak:m/z	Relative Intensity
51.02375	0.3
55.01615	0.4
55.01863	5.5
55.05493	0.7
57.03421	0.4
57.07063	0.3
59.04984	0.2
67.05487	0.9
68.99773	0.4
69.03408	0.5
69.07043	0.7
70.06579	0.3
71.04973	0.3
71.74689	0.2
73.37341	0.3
79.05478	1.8
81.03401	0.4
81.07055	1.5
83.04950	0.5
85.02883	0.3
85.06495	0.3
91.05458	2.0
93.07034	2.1
95.04932	0.8
95.08588	1.1
97.06496	0.5
100.89464	0.2
103.05460	2.6
105.03403	0.3
105.06996	1.6
107.04922	0.8
107.08583	1.5
109.06492	0.8
109.10124	0.6
111.04445	0.3
115.05387	0.5
117.03507	0.2
117.07012	1.1
118.06525	0.6
119.04928	0.7
119.05975	0.2
119.08557	0.9
120.08115	0.6
121.06479	3.3
121.10114	0.8
123.04404	1.7
123.08024	0.8
124.05161	0.5
125.05954	0.6
125.09624	0.2
131.04907	3.9
131.08559	0.9
132.05675	0.2
133.02811	2.0
133.06458	0.5
133.10089	0.5
135.04373	0.7
135.08028	1.5
135.11638	0.6
136.07468	0.2
137.05977	0.6
137.09596	0.4
139.07509	1.4
145.10112	0.8
146.06020	0.4
147.04370	1.3
147.08022	0.5
147.11629	0.3
148.07343	0.3
149.02310	0.5
149.05975	2.1
151.03906	1.5
151.07520	0.3
153.05470	0.4
159.04436	0.9
159.11685	0.5
160.05133	1.0
161.09644	0.3
163.03867	2.9
163.07526	1.9
163.11194	0.3
164.04640	0.9
165.05449	0.6
167.06955	0.3
173.13214	0.6
175.03928	0.3
176.04654	2.1
177.05432	6.5
177.08957	0.4
177.12704	0.6
178.02571	0.9
179.03362	38.0
180.03705	0.7
181.08598	0.3
183.06506	2.0
187.03836	0.6
188.04665	2.6
191.03355	9.1
191.06982	2.1
191.10553	0.4
191.14255	0.3
192.04141	11.2
192.06406	0.6
193.01256	0.3
193.04901	0.6
194.05656	0.5
195.06323	0.2
201.12701	0.5
203.03362	3.1
204.04161	1.1
205.04916	1.8
206.05688	1.6
207.02837	1.9
219.06427	2.1
219.13763	0.7
219.17404	0.5
221.04358	0.5
222.05176	0.5
236.17128	0.3
237.07530	100.0
237.14813	1.9
238.07896	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	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
55.05506	40.9
57.07056	3.4
67.05488	16.1
69.07062	16.5
79.05500	10.6
81.07044	20.9
83.04977	50.2
83.08610	57.4
85.06487	3.6
91.05479	10.0
93.07016	23.2
95.04966	13.1
95.08606	27.2
97.06512	9.1
99.04453	4.8
105.07040	10.4
107.08590	36.7
109.06512	13.4
109.10148	41.7
110.35962	3.6
111.04431	25.3
111.08043	7.0
113.09636	11.7
113.50193	4.0
115.96495	5.5
118.05025	3.4
119.08587	10.6
121.06489	33.8
121.10151	25.3
123.08044	5.1
123.11691	9.8
125.06018	6.0
125.09651	10.6
127.07541	11.6
131.08571	5.9
133.10117	17.4
135.08029	9.6
135.11674	7.9
136.08830	46.9
137.09590	31.5
139.07503	10.3
141.88698	3.9
149.13240	29.5
151.11186	5.0
153.09109	14.9
153.34410	3.3
159.11674	24.2
161.09592	21.3
164.07263	4.1
167.14394	6.2
173.13329	3.6
177.12747	30.5
179.10651	89.7
191.14282	3.8
192.06573	5.0
195.13776	59.7
201.12675	6.1
219.13712	8.4
237.07204	32.5
237.12511	4.8
237.14789	100.0
237.17006	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	238.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14195	0.2
58.52007	0.2
67.40439	0.2
87.05241	0.2
90.03423	0.4
96.41869	0.2
100.49424	0.2
109.10091	0.2
122.06017	0.4
126.05491	0.3
135.03133	2.8
143.74692	0.2
146.02315	0.9
150.05511	0.3
163.02626	22.3
164.03195	0.4
174.01825	0.3
178.04964	100.0
179.05316	2.0
192.02893	8.0
193.03242	0.2
206.04463	1.5
210.07671	1.1
224.05542	1.5
238.07065	2.5
248.62509	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	238.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59567	0.3
62.98566	0.3
67.05492	0.4
69.07060	17.0
69.79337	0.3
69.79680	1.3
71.52457	0.3
79.26273	0.3
80.05842	0.3
82.04046	0.8
87.08107	0.8
91.05456	1.8
94.04054	0.7
98.03537	0.8
98.22489	0.3
109.05125	0.4
110.03474	0.4
115.05466	0.4
124.06171	1.2
125.04545	2.7
131.04800	0.3
132.05264	0.9
135.03069	0.4
136.06181	3.3
137.04549	0.3
137.05865	0.5
148.03932	0.4
152.05653	57.3
153.04031	0.6
153.06093	0.5
160.60530	0.3
163.07565	0.4
164.05652	31.2
165.06232	0.3
175.07526	0.4
206.40033	0.3
220.06946	0.4
220.10007	0.4
220.11925	5.9
238.12944	100.0
239.08913	0.7
239.13278	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1641
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03926	2.7
55.01871	4.8
55.05502	23.0
55.31723	1.9
57.03422	3.9
57.07059	4.9
59.04986	3.2
62.41577	2.0
64.17476	2.1
65.03922	4.2
67.05157	3.2
67.05497	47.1
69.03415	21.4
69.07060	16.2
71.04980	25.6
71.08613	2.8
71.44121	1.8
79.05473	27.1
81.07047	58.2
83.04525	3.0
83.04971	42.7
83.08578	9.4
85.02862	8.9
85.06543	12.0
89.06013	2.7
91.05466	21.7
93.07036	43.5
95.04954	31.2
95.08595	50.7
97.05960	2.8
97.06520	34.6
97.10152	4.1
99.04462	11.2
99.08033	5.9
104.25725	2.0
105.04448	2.5
105.06366	2.6
105.07020	45.0
107.08581	92.5
109.06509	29.8
109.10146	37.0
111.04417	14.5
111.08092	16.6
113.05967	4.3
113.09675	10.7
113.10276	2.4
117.07040	3.9
119.06037	2.8
119.08566	24.1
121.06454	9.5
121.10114	25.4
123.04348	3.1
123.08058	12.0
123.11674	21.3
125.05955	10.3
125.09605	24.9
127.03874	3.3
128.06140	2.5
129.06978	2.5
130.07713	4.3
131.08530	4.5
133.10115	18.7
135.08038	4.3
135.11667	26.4
137.09624	11.3
139.07530	6.5
143.07027	2.2
143.08501	9.7
145.10112	36.2
147.08018	4.1
147.11612	8.9
151.07565	2.5
151.11203	12.7
153.05371	4.3
153.09152	2.9
157.04848	4.1
157.10060	9.1
159.11662	10.2
160.56313	2.5
161.09537	6.3
161.13228	21.7
163.11061	6.3
165.09023	6.2
165.12627	4.4
175.14772	18.2
179.10724	3.5
179.14218	7.7
183.11630	3.6
185.13258	19.3
193.15805	9.5
197.13159	5.1
203.14290	28.3
203.17825	2.6
209.03261	2.7
211.07594	2.2
211.16881	25.6
221.11749	2.7
221.15353	16.2
224.05688	2.0
239.08882	82.9
239.14482	4.1
239.16309	100.0
240.16699	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	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05510	31.7
57.03438	4.2
57.07056	20.5
59.04995	37.7
67.05499	21.5
69.03427	3.3
69.07062	38.1
71.04979	5.1
71.08624	5.7
79.05490	14.2
81.07050	85.6
81.07501	6.0
83.04974	7.6
83.08615	24.9
85.02890	3.4
85.06545	8.8
87.04494	2.7
91.05489	9.8
93.07046	27.2
95.04954	3.9
95.08597	100.0
97.06525	17.8
97.10151	16.1
98.43327	3.0
99.08092	8.5
105.06998	14.1
105.77994	2.8
107.08590	43.7
109.06517	9.1
109.10154	41.3
109.14034	2.7
111.08080	9.7
111.11734	11.0
113.05965	3.3
118.06596	3.2
119.08562	27.2
121.10134	34.2
123.08036	4.3
123.11700	36.9
125.09634	11.8
133.10124	28.9
135.11681	29.7
137.09578	6.8
137.13243	87.4
139.11182	28.8
143.10670	10.6
147.11671	32.9
147.22263	2.9
149.13254	21.9
151.11185	11.0
153.12773	5.3
157.12286	5.0
161.13251	11.5
163.14824	32.2
165.12737	6.4
171.69806	3.9
175.14822	4.2
177.16417	7.8
191.22084	3.0
193.19479	5.3
203.17931	61.8
203.19788	3.2
221.18994	62.8
239.08879	80.0
239.17969	4.1
239.20045	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	239.2366
Annotation	Bombykol
Peak:m/z	Relative Intensity
55.05503	23.8
57.07069	100.0
65.03944	1.2
67.05496	52.2
69.07059	23.8
71.04993	1.2
71.08623	58.4
72.64925	0.7
79.05472	3.9
81.07046	54.2
83.08610	32.2
85.06541	3.2
85.10172	31.4
89.06025	2.6
93.07056	2.6
95.08595	73.2
96.45183	0.8
97.10158	13.0
99.04442	0.9
99.08079	1.7
99.11731	1.1
109.10143	24.0
111.11742	1.2
123.11677	7.3
123.44133	0.9
130.25917	0.8
137.13263	3.3
151.03851	0.7
161.07309	0.8
239.08794	9.6
239.23706	2.0
239.42635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.4
57.03417	2.6
65.41167	1.1
67.05469	2.8
69.03059	1.3
69.03419	18.8
69.07065	5.5
69.17178	5.1
70.06564	0.7
79.05488	8.3
80.04990	2.2
81.05779	4.7
81.07053	6.6
82.06592	1.1
83.08581	2.1
86.09715	1.0
88.78392	0.9
91.05441	0.9
93.06993	1.1
94.06565	1.9
94.52607	0.7
95.04965	3.7
96.04467	1.5
96.08116	21.3
97.02885	20.4
97.05255	1.8
97.06525	4.0
98.06036	1.5
98.09660	1.9
98.23414	2.0
98.97546	0.8
105.07005	3.4
106.06551	4.6
107.08549	2.6
108.08081	2.9
109.06502	4.2
110.06033	2.2
111.05589	0.8
111.08093	1.3
115.03918	12.6
117.06990	1.1
118.06535	1.0
119.08592	1.2
120.08099	5.1
121.02858	1.4
121.06453	0.9
121.10143	1.0
122.03190	2.0
122.09637	3.1
123.08128	1.0
124.07578	100.0
125.08424	0.9
126.09139	62.4
127.09516	0.9
131.08505	1.0
132.08156	1.0
133.10068	1.2
134.09624	2.7
138.06317	0.7
143.18623	0.8
148.07538	6.1
148.11203	9.2
149.06041	1.0
149.09586	1.1
150.09149	6.9
152.07120	1.2
152.10692	5.3
162.09131	4.7
166.10678	0.7
176.10687	9.4
178.08618	3.6
180.10072	1.3
193.79564	0.8
194.11739	4.2
196.09692	4.6
198.11237	1.2
204.10214	2.4
212.12750	2.7
222.11217	10.6
223.09589	1.3
240.12277	53.0
240.23140	1.2
241.09636	0.9
241.12265	1.4
258.13300	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	240.9868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41268	0.3
55.01861	0.6
56.96557	17.6
58.06591	13.0
67.05492	0.4
69.03418	2.8
70.06583	2.1
70.06914	0.4
71.01328	0.3
71.04984	1.2
71.06926	0.3
71.95259	0.9
72.08125	0.4
79.05460	0.5
81.03397	1.7
81.07069	0.4
82.99855	0.3
84.08128	9.0
85.02898	1.3
91.05475	0.9
95.04947	0.3
95.06092	0.4
97.02876	3.2
98.06097	0.4
98.09690	1.2
98.97568	100.0
99.04442	2.8
99.97887	0.5
101.00859	0.6
107.04945	0.7
107.86919	0.3
109.02877	0.7
111.04431	0.6
114.05496	0.6
115.03928	1.8
116.98605	71.3
117.98982	0.4
118.06522	0.7
119.01910	1.3
120.01981	0.3
121.06481	0.6
123.04414	0.6
125.02325	0.3
126.05519	0.3
127.03935	1.2
128.10712	2.5
132.96339	0.3
133.03392	0.4
134.99635	29.0
135.04387	0.5
136.06195	1.0
137.02939	0.4
140.00200	0.6
143.01828	0.8
144.10159	0.7
145.04961	0.3
146.05969	0.3
151.03868	0.5
153.00676	3.2
153.05411	0.5
158.01279	0.4
159.04956	0.4
161.02914	1.5
164.07056	2.7
165.07358	0.5
168.10214	0.6
171.04965	0.6
173.01128	0.5
174.97623	0.9
177.00821	0.4
177.05899	0.6
181.04942	0.9
196.09662	3.9
198.97661	0.6
199.04482	1.7
200.04648	0.6
200.18875	0.3
213.15848	0.3
216.98677	3.4
217.05513	1.1
218.05702	0.6
223.11316	0.5
224.12700	0.3
234.99730	2.0
240.10886	1.0
240.98630	2.2
241.07294	2.3
241.15424	81.6
242.15773	1.4
242.18559	0.3
258.99725	32.5
259.99808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.7
55.01865	17.1
55.05490	3.9
56.96543	5.9
57.03410	5.2
57.07065	2.2
59.04977	5.9
67.05476	5.6
69.03419	54.4
69.07050	1.9
71.01330	4.3
71.04974	6.8
73.02894	5.9
79.05468	4.8
81.03408	38.3
81.07043	6.2
83.04961	8.0
84.08134	20.6
85.02886	20.3
87.04438	5.7
91.05459	4.4
93.07014	2.8
94.42826	1.9
95.04945	7.0
97.02881	95.6
98.23533	2.5
98.97569	18.3
99.04452	12.7
101.02354	2.5
107.04918	5.0
107.81105	1.6
109.02864	44.2
109.06493	3.4
110.03636	4.3
111.04445	12.8
113.02331	8.3
115.03913	100.0
116.98633	11.5
117.73350	1.7
121.06506	2.8
123.04389	7.5
125.02312	12.6
127.03026	3.2
127.03906	54.8
134.99609	7.6
135.04376	4.8
137.05960	3.3
139.03871	3.3
149.05954	9.3
151.03839	5.7
152.67680	1.9
153.01768	2.7
153.05437	6.0
163.03883	2.5
165.05411	4.7
167.03398	1.8
169.06348	2.0
175.91408	1.7
177.05461	9.4
181.04924	5.1
193.05042	3.4
195.06473	7.9
199.06091	2.6
205.04889	3.4
211.05994	3.3
223.05873	4.0
241.07004	57.8
241.11833	4.0
241.15396	7.8
258.99698	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.4
56.96585	0.2
57.03418	0.4
58.06589	18.9
59.52844	0.3
60.08128	0.5
60.90421	0.3
66.87364	0.3
69.03410	1.6
70.06580	3.7
70.88815	0.3
70.89131	0.3
71.04953	0.3
72.08141	0.5
73.02892	0.4
73.44714	0.3
81.03403	0.9
81.07013	0.3
84.08128	10.5
85.02881	1.0
85.06541	0.4
94.92963	0.3
97.02886	2.7
98.06020	0.5
98.09663	1.3
100.11247	0.5
104.10721	10.8
114.05530	0.4
115.03925	1.5
116.10709	0.4
119.01846	0.4
126.05495	0.6
126.09129	0.4
127.03850	0.6
128.10695	3.4
138.53499	0.3
144.10146	1.0
145.03305	0.3
152.10698	0.5
154.03802	0.4
168.10168	1.0
173.03122	0.3
174.54596	0.7
176.54144	0.3
196.09668	5.1
213.15941	0.5
223.04871	0.3
240.95276	0.5
241.15417	100.0
242.15765	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	241.1543
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.55246	0.3
56.05026	0.3
58.06589	20.3
67.37988	0.3
69.03422	0.3
70.06587	2.8
70.70568	0.5
71.04982	0.5
81.03394	0.6
82.86027	0.3
84.08128	10.2
85.02888	0.3
85.06532	0.3
92.53442	0.3
94.92993	0.6
97.02868	0.9
98.09646	1.5
100.11234	0.9
104.10717	4.8
110.50919	0.3
113.39904	0.3
115.03891	0.5
116.07064	0.6
126.05502	0.6
128.10692	3.7
144.10124	1.3
152.10672	0.4
159.33932	0.3
168.10191	1.0
177.99232	0.3
189.03874	0.6
196.09653	5.3
199.71275	0.3
213.15984	0.6
240.94986	1.3
241.15414	100.0
242.15710	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61213	1.3
53.03928	2.4
53.28920	1.2
55.05512	6.1
56.02646	1.6
56.96548	2.1
57.07067	1.9
58.01965	1.1
59.04985	1.3
59.39870	1.2
67.05499	27.0
69.07060	4.5
69.08459	9.2
71.04984	100.0
79.05486	16.2
81.07047	39.4
81.07420	0.8
82.94527	2.1
83.04979	2.4
83.08598	2.7
85.06535	7.1
91.05466	11.1
93.07037	29.2
95.04960	4.1
95.08595	19.8
97.06521	4.2
98.22696	2.8
98.97563	4.8
99.08064	3.2
104.17622	1.2
105.07041	6.7
107.08559	8.5
109.06506	1.7
109.10140	2.8
111.08062	2.2
116.98617	5.2
117.07020	9.6
119.08536	1.7
121.10156	2.5
129.06984	2.1
131.08559	8.5
133.10123	9.2
134.99666	5.1
135.11682	14.8
143.08565	2.2
145.14404	1.1
149.13255	10.5
157.10094	2.5
159.11656	16.6
171.11641	3.5
177.12782	7.0
185.13242	2.8
194.92459	1.7
209.15401	2.0
241.08566	2.6
241.19540	6.8
242.28397	3.2
258.99506	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58990	1.5
55.05503	4.2
57.07067	2.6
67.05497	25.0
68.89642	1.5
69.07059	5.4
71.04984	100.0
79.05478	12.2
81.07043	36.5
81.47670	1.3
82.94559	3.5
83.04962	2.9
83.08614	2.2
84.08105	1.7
85.06535	6.4
91.05463	8.9
93.07028	25.5
95.04933	3.7
95.08597	18.6
97.06511	6.0
98.97567	6.2
99.08057	2.1
105.07001	5.3
107.08568	7.0
107.82982	1.5
108.06754	1.9
109.06499	2.5
113.64120	1.7
116.98612	5.9
117.06997	9.4
120.26780	1.8
121.10104	3.0
129.06953	4.3
131.08495	8.5
133.10117	7.2
134.99646	5.7
135.11670	14.6
143.08492	3.2
147.11731	1.5
149.13205	7.2
151.11243	1.4
156.54991	1.4
157.10162	4.3
159.11664	17.4
171.11659	6.5
177.12718	8.8
185.13246	6.0
194.92464	2.9
199.14946	2.1
209.15350	2.4
241.09073	1.6
241.11952	2.2
241.19545	12.8
241.23262	1.9
242.28371	15.2
258.99670	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	242.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.7
56.96562	2.5
57.03425	11.2
58.06593	14.5
59.06939	2.5
66.41115	2.1
68.03103	2.4
68.58640	2.3
69.03416	2.6
70.06577	3.9
70.68842	4.1
71.01354	6.3
73.02920	12.7
73.99503	2.5
75.09735	2.3
79.11700	2.0
81.03401	5.0
84.08144	9.4
85.08468	3.7
87.04446	7.5
89.02381	4.2
93.03729	2.2
101.02354	18.8
104.10735	3.0
112.02388	2.6
115.03933	23.8
119.01881	5.0
127.03838	2.3
129.01817	16.5
143.03409	11.2
157.01306	22.7
161.04436	15.1
171.02869	2.9
189.03926	65.1
196.09808	3.7
197.10056	5.0
219.01926	3.0
241.15446	3.6
242.10210	4.9
242.15790	100.0
248.92410	2.2
261.02997	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	242.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.1
55.05502	2.3
57.07060	0.3
67.05511	0.3
69.03418	6.9
69.03799	0.3
69.07057	7.6
69.25195	0.9
73.02908	3.5
79.05472	0.3
81.07025	0.3
83.04972	1.4
83.08609	0.6
86.09709	0.3
87.04465	0.9
91.75603	0.2
93.07037	0.7
95.08601	0.9
97.06527	0.9
97.10181	1.0
99.04423	1.0
101.05992	0.4
111.08047	0.3
111.11701	0.6
113.05987	61.2
113.72243	0.1
114.06337	0.5
121.10125	1.6
125.05963	0.3
127.07535	9.5
139.07539	0.4
139.11153	2.9
140.08276	1.9
141.09074	3.0
183.13773	100.0
184.14111	1.6
193.89522	0.2
233.68120	0.2
242.11719	0.2
242.21107	13.6
248.67258	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	242.2841
Annotation	1-Hexadecylamine
Peak:m/z	Relative Intensity
56.96547	0.4
57.07068	9.8
58.06598	0.6
59.21836	0.3
60.08162	0.3
62.27177	0.3
67.05489	0.8
68.05832	0.3
70.02966	0.4
70.03321	0.9
71.04984	3.7
71.08621	4.3
72.05302	1.1
80.05812	0.4
80.94827	0.4
81.07040	1.4
85.10166	1.4
89.34768	0.3
93.07037	0.8
94.07332	0.5
95.08568	0.6
96.08941	0.4
96.25104	0.3
100.11226	1.0
108.08955	0.3
117.06985	0.4
117.26715	0.3
136.12013	0.7
142.15878	2.1
151.54457	0.3
160.11987	0.5
185.37257	0.3
192.65021	0.4
242.28384	100.0
243.06503	0.7
243.28751	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9667
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	4.5
69.66247	1.4
81.16946	1.5
85.95075	1.3
94.93001	21.8
104.10730	100.0
105.10424	1.7
105.11063	27.5
106.11219	1.9
113.85326	1.5
132.94467	3.5
136.94000	2.8
148.93980	2.8
152.93495	3.0
155.82977	1.6
157.00014	1.4
162.82886	1.3
164.93510	3.2
166.95160	2.0
176.93524	7.0
179.60515	1.9
186.55064	1.4
206.94556	15.4
218.95715	1.8
224.95627	13.1
226.79715	1.3
242.96689	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	243.065
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01865	0.8
65.03923	2.1
67.05495	0.8
68.99774	3.7
69.03421	0.6
70.06554	0.3
71.04964	0.5
79.05517	0.3
81.03398	1.0
81.07043	0.5
83.04975	0.3
86.89904	0.2
91.05463	0.7
93.06983	0.3
95.04951	1.8
95.05482	0.3
95.06071	0.5
98.09673	0.2
98.97539	0.3
99.04432	1.2
99.08052	0.4
105.04463	0.3
105.07002	0.3
107.04932	5.4
107.08637	0.2
107.73667	0.2
109.02876	0.5
109.06529	0.3
111.04420	0.6
111.47906	0.3
111.52185	0.2
115.05434	0.9
117.07007	0.7
119.04929	0.6
119.08578	0.5
121.02843	17.7
123.04416	0.3
127.07499	0.3
128.06183	0.3
129.06967	0.6
131.04893	1.9
131.08539	1.1
133.10022	0.3
140.04698	0.4
141.05362	0.4
141.05821	0.4
141.06966	5.9
142.07344	0.3
144.05666	0.7
145.06447	1.9
147.04391	3.2
147.08032	2.8
149.02313	96.9
150.01607	0.2
150.02637	1.5
155.07014	1.0
159.08003	1.1
166.54381	0.2
167.03365	1.4
167.04623	0.2
168.05626	0.3
169.05118	0.4
169.06447	8.2
169.07867	0.4
170.07118	0.3
173.04572	0.4
173.05894	1.7
183.06497	0.5
185.05896	0.8
187.07504	2.2
197.05936	9.5
197.07774	0.5
198.06651	0.4
200.04689	0.5
211.00563	0.7
213.05402	0.6
214.06181	0.3
215.06987	100.0
216.07359	2.4
226.14333	0.3
243.06477	55.7
244.06895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0861
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03929	2.1
55.01859	1.6
56.96557	6.2
61.02915	9.8
65.03926	8.8
67.05495	3.8
69.03416	2.7
69.07037	0.9
71.01327	0.9
79.05494	4.7
81.03397	1.8
81.07031	4.9
82.04165	2.8
83.04951	1.0
83.06084	2.6
84.04485	18.3
84.06419	1.8
84.08141	4.1
85.02895	5.8
86.09685	20.8
87.04467	1.0
89.84937	0.8
91.05463	15.3
93.03404	1.9
93.07011	1.4
94.04183	2.0
95.04343	0.9
95.04951	17.4
95.08593	1.8
97.02862	2.5
97.06517	3.0
98.97562	9.0
99.04436	1.5
100.07590	1.0
100.11268	1.1
103.05399	1.1
105.03372	2.6
105.04500	2.3
107.04911	7.0
108.36568	1.0
109.02837	1.2
109.06497	13.8
110.03620	5.3
111.04421	1.7
116.98608	9.2
119.01935	1.1
119.04924	5.6
121.06504	1.3
122.03640	1.1
123.04414	15.1
125.02322	6.3
125.05948	1.3
129.06618	0.8
130.93286	1.7
131.06871	1.6
132.10173	7.9
133.02834	10.8
134.99591	6.9
135.04362	4.5
137.05949	20.0
138.03053	2.4
139.03882	0.9
140.04657	100.0
140.16669	0.8
141.06847	1.2
142.02618	1.0
143.00160	1.2
147.04379	6.3
147.06253	1.4
152.04631	2.2
153.05479	5.8
155.06999	80.5
156.07425	1.0
159.06348	1.5
161.01173	0.9
162.05295	1.0
163.03908	3.0
165.01811	1.6
165.05450	18.8
165.06773	1.2
167.07053	1.5
171.06462	6.0
172.94212	1.2
173.01192	1.3
173.08130	6.8
177.00888	1.7
179.06979	10.6
180.04137	15.3
181.04924	68.2
182.05272	0.9
183.06491	3.2
189.00642	1.4
190.95514	1.2
192.03984	1.3
193.04935	22.4
195.06487	11.1
197.03949	0.8
197.06180	1.5
197.08015	9.4
197.12851	7.3
201.00734	1.7
207.06483	23.5
218.98442	1.2
219.01819	4.0
225.07507	17.3
225.09625	1.1
237.02675	1.7
243.02007	1.3
243.04422	1.3
243.06465	1.8
243.08524	6.2
243.10492	1.7
243.17352	1.1
260.96051	1.2
260.99496	2.8
261.03030	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	243.0863
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03952	1.9
55.01857	3.1
56.96552	3.6
61.02914	14.0
65.03938	8.7
67.05494	5.2
69.03419	11.1
69.07053	1.9
69.12693	7.7
70.06580	1.8
71.01344	1.4
71.04976	9.3
77.03934	2.3
79.05489	7.1
81.03413	7.6
81.07037	7.3
82.04195	3.2
84.04501	2.1
84.08141	1.9
85.02895	5.9
86.09726	2.3
91.05474	16.2
93.03396	4.0
94.04166	2.2
95.04959	14.9
95.06063	3.7
97.02888	3.6
97.06514	3.3
98.97581	4.9
99.04443	24.0
101.15854	1.5
102.09206	1.7
105.03397	3.4
105.04495	2.4
107.04935	8.6
108.02083	1.7
109.02865	4.2
109.06505	13.8
110.03651	3.7
111.04424	5.5
116.98609	3.2
119.04914	5.9
121.02898	6.6
121.06496	2.3
122.03589	1.7
122.29588	1.4
123.04427	15.3
125.02299	7.3
125.05967	3.7
133.02847	13.4
134.99632	2.6
135.04420	6.0
137.05969	21.7
138.03078	2.5
140.04668	100.0
147.04405	6.8
152.04652	2.8
153.05443	3.9
155.07010	73.1
163.03886	1.7
165.05440	20.0
169.04990	3.4
171.06448	7.5
173.08073	5.1
179.07031	9.7
180.04156	16.8
181.04922	70.3
183.06548	3.1
193.04948	22.3
195.06509	11.2
197.08081	9.4
207.06506	25.1
219.01791	2.0
225.07527	14.5
243.08571	11.9
243.17970	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.0
53.03936	2.3
55.01856	2.7
55.05509	1.7
56.96548	1.7
57.03426	1.1
61.02919	11.2
64.71338	1.1
65.03922	9.0
67.05491	4.4
68.99765	1.7
69.03408	3.6
69.07054	3.5
69.73676	1.0
70.06582	2.0
71.04978	1.3
74.63118	0.9
77.03918	1.7
79.05482	6.8
81.03408	3.2
81.07042	7.0
82.04198	2.6
83.04977	1.2
84.08113	2.1
85.02884	5.9
86.09719	1.4
91.05467	19.0
93.03385	3.2
93.07019	1.5
94.04182	2.3
95.04955	16.5
95.06053	0.9
95.08590	1.6
97.02880	3.8
97.06525	2.6
98.97577	2.5
99.04427	4.8
105.03368	3.5
105.04487	2.8
105.07012	1.4
107.04919	8.5
108.02077	2.3
109.06490	15.5
110.03633	3.7
110.63901	0.9
111.04417	4.1
116.98608	2.6
118.04134	0.9
119.04913	4.9
121.02831	5.0
121.06464	1.4
122.03693	1.5
123.04418	14.7
125.02339	6.8
125.05972	3.4
127.03897	1.1
133.02838	10.1
134.99617	2.0
135.04398	4.2
136.05127	1.1
137.05956	21.2
138.03131	2.0
139.03854	1.4
140.04659	100.0
141.06932	1.7
143.32278	1.1
145.06480	1.7
146.03638	1.7
147.04387	6.6
149.02266	1.0
149.05893	1.1
151.03792	1.0
152.04660	4.0
153.05420	4.3
155.07002	68.0
159.04422	0.9
159.08047	1.5
163.03911	3.7
164.04692	1.5
164.85973	0.9
165.01843	2.2
165.05449	16.0
167.07059	1.1
169.05089	1.2
169.06450	1.8
171.06534	6.4
173.05927	2.0
173.08154	5.6
173.09503	1.8
179.07004	11.4
180.04138	15.2
181.04921	71.4
183.06511	2.8
193.04927	22.6
195.06517	11.5
197.05933	3.1
197.08073	6.8
202.10672	1.1
207.06473	20.7
215.07024	1.6
225.05351	1.6
225.07500	14.8
225.09618	1.5
236.64580	1.2
243.06447	4.5
243.08551	8.4
243.12001	3.7
243.14052	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1589
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
55.01865	13.2
55.05497	15.9
57.03435	16.7
57.07061	12.5
59.05001	13.1
67.05496	25.1
69.03427	11.7
69.07062	42.3
69.57380	21.5
70.06580	18.7
71.04973	30.6
79.05486	34.6
81.03411	10.4
81.07050	76.4
83.04965	35.4
84.04487	14.2
84.08144	8.1
85.02921	6.6
85.06525	16.9
86.09686	31.7
91.05483	21.9
93.07043	35.2
95.04955	15.6
95.06092	14.1
95.08579	67.6
97.02879	7.6
97.06522	84.0
98.97586	7.4
99.04454	25.2
99.08096	12.9
103.05468	6.6
105.07010	29.9
107.04933	14.4
107.08572	53.4
109.02826	6.7
109.06513	41.0
109.10139	71.2
111.04438	11.7
111.08080	22.0
115.07562	9.6
117.06978	5.9
119.08586	37.8
121.02834	28.0
121.06494	6.0
121.10123	84.4
123.08051	90.1
123.11673	14.7
125.09616	24.1
130.08607	28.3
131.08583	10.8
133.10104	13.5
135.11693	20.2
137.09572	26.9
141.06984	13.2
141.09091	17.9
142.84619	6.9
143.08469	6.1
145.07556	11.3
145.10132	14.3
147.08063	9.8
147.11681	22.0
149.02307	100.0
149.09584	47.0
151.07472	33.6
151.11171	8.6
151.14815	9.6
159.11642	7.8
161.13214	38.2
163.11122	39.6
165.09158	10.2
165.12749	14.1
167.10625	13.0
169.06444	7.7
169.08595	17.7
169.12218	30.2
171.11745	6.4
172.08650	30.7
179.14310	9.3
181.04918	7.0
181.12198	40.7
185.11841	7.1
189.12727	41.3
197.05954	15.7
198.06567	9.7
207.13770	73.7
215.06978	90.0
216.07649	19.2
217.35141	6.1
225.14740	28.7
240.12463	5.7
243.06537	54.7
243.08765	58.8
243.10997	9.4
243.13673	5.7
243.15810	61.3
244.06445	8.4
244.09174	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	243.159
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
50.54065	5.5
51.41269	5.6
55.01860	14.0
55.05499	21.8
56.96571	6.9
57.03431	8.2
57.07074	8.6
67.05487	23.1
68.43283	5.6
69.03413	17.1
69.07052	40.1
70.06576	6.1
71.04992	29.6
71.43930	5.8
79.05479	25.1
81.03393	12.9
81.07041	87.6
82.06567	5.8
82.31754	6.6
83.04981	34.1
83.08569	6.2
84.04487	13.9
84.08116	6.4
85.06535	9.4
88.03852	5.6
91.05475	14.2
93.07019	30.7
95.04950	15.1
95.06078	18.4
95.08606	47.5
97.06516	56.1
98.09684	18.4
99.04419	18.1
99.08064	23.2
105.07005	29.0
107.08583	51.2
109.06506	24.8
109.10143	49.8
111.04411	15.6
111.08047	19.4
116.10709	9.3
119.08553	44.4
121.10123	100.0
123.08043	72.1
123.11684	11.3
125.05960	10.5
125.09605	14.7
127.07481	6.2
130.05058	6.5
131.08609	5.5
131.66580	5.5
133.10088	17.7
135.11662	24.0
137.09595	29.9
137.13196	7.4
141.05507	8.2
141.09093	9.3
145.10110	24.1
147.08026	6.0
147.11670	24.9
149.09578	40.4
151.07510	22.5
151.11093	10.1
151.14796	8.6
153.09087	7.9
161.13252	32.0
163.11153	51.5
165.12723	11.7
167.10707	10.5
169.04970	9.2
169.08604	6.3
169.12227	25.0
179.14346	10.7
181.12204	44.0
189.12706	46.6
198.14966	30.7
207.13791	63.7
225.14778	31.0
226.14279	41.7
243.04700	9.6
243.07733	7.9
243.15657	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	244.0967
Annotation	Isotaifine
Peak:m/z	Relative Intensity
55.05507	0.5
57.03434	0.7
65.77802	0.4
69.07072	0.4
70.06591	0.8
73.71172	0.3
77.26235	0.4
78.20606	0.4
78.26637	0.3
78.88200	0.4
79.05506	0.3
81.07064	0.6
84.08155	0.6
91.05473	0.7
95.08628	0.4
105.07020	0.4
106.98993	0.4
113.40590	0.4
119.08541	0.4
121.10158	0.5
146.11797	0.5
148.03934	0.7
173.13258	0.6
186.03781	0.5
186.05479	15.4
187.06305	3.8
188.07037	9.0
198.05492	5.0
214.04961	16.4
214.07001	0.9
215.05745	56.7
216.06108	1.1
226.12296	0.7
244.09660	100.0
244.22704	3.3
245.09872	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0807
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
53.03931	0.2
55.01621	0.2
55.01864	3.3
55.05258	0.3
55.05505	5.1
56.05841	0.2
57.03434	1.5
59.05022	0.2
65.03923	0.3
67.05498	1.1
68.99776	1.4
69.03410	0.8
69.07044	0.7
70.00496	0.2
71.44941	0.2
72.06902	0.2
79.05484	1.5
81.07046	1.2
83.04959	0.5
83.08606	2.6
86.09679	0.2
91.05461	1.0
93.07009	0.6
95.04917	0.2
97.02834	0.2
97.10157	5.8
105.03366	1.2
105.07004	1.1
107.04911	0.3
107.08575	1.9
109.02869	0.2
109.06521	0.3
109.10133	0.4
115.05435	0.8
117.06998	0.3
119.04914	0.6
119.08575	1.1
125.09614	4.7
128.06200	3.7
129.07014	1.3
131.04912	0.4
131.08533	0.6
133.06438	0.4
135.08038	1.1
141.06961	0.2
142.07721	0.3
143.04890	0.3
143.08540	3.4
143.10681	0.2
145.06493	1.2
145.10094	0.2
147.04382	1.9
147.07979	0.9
147.09123	0.2
148.08795	0.3
152.06181	0.3
153.06941	1.9
153.09071	0.5
155.06032	0.4
155.08525	0.6
156.05693	0.3
157.06474	0.9
157.10136	0.3
159.07994	0.3
160.05222	0.5
161.05920	0.7
161.09566	0.5
161.54817	0.2
163.03925	0.9
163.07445	0.3
165.06860	0.2
168.05722	0.2
169.06462	0.5
171.04353	0.5
171.08028	6.4
171.10213	0.4
171.11647	0.3
173.05968	1.1
174.06734	0.7
175.03902	1.5
175.07494	0.3
176.04660	0.3
177.05513	0.3
181.06444	1.4
184.05182	1.6
185.05933	1.9
185.80127	0.2
187.03850	1.5
188.04681	1.2
189.05429	0.7
189.09102	1.3
189.11186	4.4
191.03471	0.3
191.06984	0.2
199.03870	0.3
199.07516	4.3
199.10963	0.3
201.05440	1.1
202.06252	1.6
203.03375	3.1
203.06914	0.6
203.10703	0.4
204.04013	0.3
205.04945	0.7
213.05508	1.3
215.03358	4.9
216.04147	4.3
217.04886	0.6
217.08566	2.4
227.06972	2.8
227.10466	0.3
227.12622	0.4
228.07596	0.2
229.04915	1.8
230.05702	9.5
231.06099	0.3
243.06422	0.2
245.08052	100.0
246.08382	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0808
Annotation	CHEBI:69405
Peak:m/z	Relative Intensity
55.01865	8.3
55.05497	1.5
55.69910	0.5
59.51260	0.6
64.30798	0.5
67.05473	1.2
69.33628	2.8
72.08139	2.0
79.05497	1.3
81.07047	1.3
83.04959	0.7
86.09689	9.1
91.05480	1.7
93.07006	1.8
95.08613	1.1
97.10150	0.7
98.22723	1.3
105.07007	1.5
107.08595	1.3
109.10060	0.5
115.05432	11.4
117.06999	27.9
118.06546	0.7
119.08566	1.9
121.06451	0.9
121.10094	0.9
128.06216	4.3
129.06984	29.3
131.04849	2.7
132.10100	0.7
133.10139	1.0
141.06996	1.2
142.03194	0.6
143.04890	15.2
143.08549	1.3
144.05617	2.0
145.06395	1.4
147.08023	9.3
151.68655	0.6
155.05965	0.9
155.08714	0.6
157.06467	18.6
159.09084	0.8
161.05994	1.2
174.06749	0.9
175.07520	5.3
184.05066	0.6
185.05951	97.1
186.06473	1.9
189.05431	1.8
189.09059	15.9
193.85973	0.7
199.07430	0.8
203.06946	4.2
213.05370	1.2
217.05144	0.7
217.08546	13.9
218.08237	0.6
245.08049	100.0
245.18608	1.2
245.22643	1.9
246.08337	2.6
249.21326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0808
Annotation	CHEBI:69405
Peak:m/z	Relative Intensity
55.01864	8.5
55.05507	2.6
56.29681	0.5
64.12773	0.5
64.25784	0.5
66.78670	0.5
67.05503	2.3
69.03406	1.0
69.07051	1.8
69.16142	2.9
79.05495	1.9
81.03410	0.6
81.07044	3.1
83.04974	2.1
85.06517	1.0
86.09682	3.0
91.05474	2.0
93.07047	3.5
93.07562	0.7
95.04960	0.8
95.08606	3.2
97.06511	1.1
97.10165	0.6
99.04435	0.5
105.07005	3.9
107.08568	3.6
109.06516	0.7
109.10120	0.8
111.08147	0.6
115.05447	10.8
117.07010	26.3
118.07310	0.8
119.08559	3.5
121.06495	1.2
121.10098	3.2
123.08104	0.5
125.09586	0.6
128.06206	5.7
129.06990	34.6
130.07256	0.5
131.04938	1.6
131.08551	1.8
133.10133	1.7
135.11690	0.9
141.06996	2.0
142.03253	1.2
142.07703	0.7
143.04906	16.5
143.06041	0.8
143.08546	2.0
144.05678	1.8
145.06413	0.5
145.10039	2.3
146.03615	1.7
147.08044	8.1
147.11674	1.1
149.09669	0.5
149.13223	0.9
154.41934	0.5
155.06053	0.9
155.91829	0.5
156.05641	0.8
157.06468	20.8
157.10074	1.3
158.07059	0.4
158.11089	0.5
159.04317	0.7
161.05960	8.2
161.09554	0.8
163.11189	2.6
167.10672	1.3
169.06520	0.7
169.08592	1.5
171.04408	0.9
171.08032	1.7
171.11679	0.5
173.09599	0.7
175.07504	6.3
175.11127	0.5
175.14799	0.6
181.12183	1.0
184.05144	0.6
185.05960	99.8
186.06558	2.5
189.05481	2.5
189.09077	16.4
191.10640	1.4
194.11119	0.5
199.07512	2.1
199.14844	0.7
203.06973	4.8
209.11694	1.1
213.05466	2.1
217.08574	14.7
218.09100	0.7
227.12596	1.2
242.10294	0.5
245.08061	100.0
245.15083	2.4
245.22604	2.9
246.08450	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0807
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
55.01865	3.9
55.05491	0.3
55.87064	0.2
67.05473	0.4
68.99769	1.1
69.03405	0.4
69.86320	0.8
73.99941	0.2
81.07030	0.3
91.05476	0.9
93.07022	0.6
97.06556	0.5
103.05446	0.3
105.03359	1.4
105.07009	1.0
107.04923	0.3
115.05453	1.0
117.07037	0.4
119.04890	0.6
119.08578	0.6
123.04386	0.3
128.06206	4.0
129.06978	1.1
131.04947	0.4
131.08551	0.5
132.05742	0.3
143.04845	0.3
143.08540	4.6
145.06444	1.1
147.04388	1.8
147.08029	0.8
152.06165	0.5
153.06947	2.3
155.05994	0.4
155.08540	0.6
156.05580	0.3
157.06444	1.0
158.07227	0.3
159.04359	0.4
159.08064	0.3
160.05164	0.6
161.05963	0.5
161.09644	0.3
163.03845	1.3
169.06393	0.4
171.04417	0.5
171.08032	8.1
173.05986	1.5
174.06767	1.0
175.03946	1.5
175.07527	0.4
176.04712	0.4
181.06474	1.3
183.08098	0.3
184.05191	2.0
185.05954	1.8
187.03894	1.3
188.04709	1.3
189.05441	0.3
189.09021	1.3
191.06940	0.3
199.07538	4.3
201.05412	1.2
202.06186	2.1
203.03355	3.1
203.06874	0.6
204.04185	0.3
206.83089	0.3
212.04739	0.2
213.05467	0.6
215.03352	5.4
216.04124	5.4
217.05118	0.3
217.08546	2.3
227.06970	3.0
229.04915	1.7
230.05705	12.0
234.09419	0.3
237.75945	0.3
243.06502	0.3
245.08055	100.0
246.08401	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	245.0808
Annotation	Eriobofuran
Peak:m/z	Relative Intensity
52.03466	0.7
55.01858	1.9
55.05507	1.0
56.57650	0.7
62.96725	0.7
67.05515	0.8
70.06558	1.1
70.12788	0.9
70.13107	0.9
76.73860	0.7
77.99783	0.6
78.04739	0.7
79.05486	2.3
83.59588	0.9
88.07611	1.7
91.05463	2.7
98.23380	0.9
104.46437	0.8
105.07026	3.1
106.08672	0.8
107.04980	1.3
107.08520	1.0
109.91436	0.7
115.05447	1.2
117.07027	1.4
119.04919	2.0
119.08562	0.7
121.06513	1.4
128.06206	10.2
129.06998	4.1
131.04881	1.3
133.06445	2.1
135.04401	3.2
141.06934	2.0
143.08556	7.6
145.06445	1.7
147.04381	9.8
153.06944	1.7
157.06465	3.8
157.50699	0.8
161.05965	3.1
161.09602	2.1
163.03902	4.6
171.08014	9.8
175.03873	9.3
177.05426	0.7
178.12250	0.7
184.05199	1.9
185.05934	4.0
185.26259	0.8
187.03917	1.8
189.05470	8.6
189.09079	3.0
190.02594	1.7
190.33514	0.7
191.03365	21.7
199.07515	8.6
201.05356	1.1
202.06262	3.3
203.03397	11.8
203.06999	5.2
205.04926	6.2
212.04686	1.2
213.05452	11.4
215.03352	2.6
216.04167	2.5
217.05005	1.2
217.08597	6.8
227.06985	6.6
229.04971	0.8
230.05714	7.1
244.26419	0.8
245.08063	100.0
246.08339	2.9
246.24243	10.0
250.33405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0807
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
55.01651	0.2
55.01865	2.6
55.60347	0.2
57.07068	0.3
65.68401	0.2
67.05480	0.4
68.68798	0.2
68.99781	0.8
69.03397	0.4
70.55159	0.4
79.05484	0.3
81.07043	0.4
81.19436	0.2
83.08552	0.3
86.09665	0.4
91.05470	0.7
93.07008	0.6
95.08609	0.4
97.10152	0.3
101.97756	0.2
105.03385	0.9
105.07004	0.6
105.21450	0.3
107.08592	0.4
115.05435	0.5
117.07044	0.5
119.04871	0.4
119.08577	0.8
122.10463	0.2
125.09645	0.4
128.06172	2.1
129.06984	1.1
131.04897	0.4
131.08554	0.5
133.10150	0.4
143.08543	3.1
145.06438	0.5
145.10155	0.3
146.10397	0.4
147.04378	1.3
147.08029	0.7
149.13182	0.3
153.06982	1.1
153.34715	0.2
155.08516	0.4
156.05746	0.3
157.06491	0.3
157.10103	0.3
160.05164	0.4
160.12079	0.3
161.05844	0.6
161.09517	0.4
161.13200	0.2
163.03897	1.2
169.06439	0.4
171.04437	0.4
171.08031	6.1
173.06032	1.2
175.03918	1.3
177.05310	0.3
181.06494	0.6
184.05223	1.2
185.06021	1.3
187.03893	0.8
188.04666	0.8
189.05426	0.5
189.09084	1.0
189.10942	0.3
191.07040	0.3
199.07520	4.2
201.05418	0.8
202.06194	1.3
203.03366	2.6
203.06697	0.3
204.04099	0.3
213.05388	0.6
215.03352	2.8
216.04143	4.6
217.04933	0.3
217.08514	2.5
227.07005	3.2
227.10275	0.3
229.04927	1.2
230.05716	10.2
231.06104	0.3
243.06731	0.3
244.21364	1.2
244.26320	0.3
245.08058	100.0
246.08342	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39808	0.3
55.01857	0.4
59.63503	0.2
60.05379	0.2
63.88366	0.3
65.98966	0.4
67.05495	0.4
68.99773	0.7
69.08007	0.3
69.45351	0.9
69.45739	0.6
70.02932	0.4
72.08136	0.7
86.09689	0.7
87.00814	1.6
91.05420	0.3
104.17937	0.3
105.07027	0.7
115.05443	3.6
117.05769	4.0
118.06543	3.3
118.36894	0.3
119.08536	0.3
122.24032	0.3
128.06203	0.4
129.06972	1.9
130.06512	11.7
131.07271	0.3
132.08075	54.4
133.08401	0.5
134.72655	0.3
140.04942	0.7
142.06502	9.1
143.07349	0.4
144.08092	0.6
154.06519	1.1
156.06841	0.6
156.08067	4.9
157.03192	0.5
157.07600	8.0
157.08748	0.4
157.38968	0.3
158.05983	1.3
158.08382	7.3
158.09656	0.5
159.09157	100.0
160.07561	8.8
160.09518	1.5
166.06473	0.5
167.06010	4.8
170.05989	3.1
171.06793	0.7
171.09135	1.3
172.07516	1.6
174.05725	0.5
181.07571	2.2
182.06026	1.4
183.06670	0.4
183.09174	1.6
184.05902	0.5
184.07556	16.0
185.07080	48.6
186.07428	1.0
199.08641	2.7
200.07040	7.8
200.08925	0.4
201.08189	0.3
201.08661	0.2
201.10201	12.9
209.07059	2.3
227.08130	39.9
228.08495	0.7
245.04439	1.1
245.09253	20.1
246.09679	0.4
257.34607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0919
Annotation	Brunnein A
Peak:m/z	Relative Intensity
51.98544	0.5
68.99760	1.3
81.60416	0.6
81.94936	0.5
83.66780	0.5
86.09689	1.1
87.00790	2.1
91.05453	0.9
92.07857	0.5
115.05441	3.8
117.05748	4.2
118.06538	3.3
128.06186	0.6
129.06975	2.7
130.06512	11.7
131.07314	0.5
131.15340	0.5
132.08073	56.1
133.08379	0.9
140.04941	0.8
142.06511	8.1
143.07257	0.6
144.08070	0.8
154.06499	1.4
156.08070	4.1
157.06396	1.0
157.07578	9.6
158.06024	1.7
158.08356	5.8
158.09573	0.9
159.09155	100.0
160.07559	10.3
160.09523	1.9
167.06027	4.1
170.06018	3.3
171.06812	0.6
171.09215	1.1
172.07541	1.7
181.07526	2.4
182.06012	1.2
183.09186	1.6
184.07553	16.7
185.07079	49.3
186.07433	0.6
199.08652	2.2
200.07068	7.5
201.10199	13.3
209.07106	1.5
227.08119	41.7
245.04514	1.9
245.09242	22.3
245.15260	0.7
245.18451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	10.3
70.84472	1.6
84.04486	2.5
86.09691	1.3
97.02892	1.8
98.22732	1.6
98.97560	2.8
100.07577	2.0
100.11221	1.3
116.98609	1.5
119.01892	4.2
123.35892	1.1
130.04999	3.6
139.03882	2.7
143.01860	1.3
145.03473	1.2
151.41307	1.3
161.02933	2.6
173.02898	1.3
174.03975	2.9
178.05374	1.6
185.51346	1.2
191.02110	1.6
196.06482	1.4
203.03816	2.2
217.05461	1.3
222.04361	2.5
228.12183	1.4
240.05402	1.8
245.04556	8.7
245.09926	100.0
263.02832	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	245.1857
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.01870	0.2
56.05017	0.2
57.05775	0.2
58.06595	0.4
65.03924	0.2
67.05497	0.3
69.03422	0.2
69.07058	12.1
69.09315	0.2
71.04968	0.2
76.33075	0.2
83.04992	0.2
86.09693	100.0
87.10023	0.6
95.08597	0.7
100.41684	0.2
132.10190	1.5
171.04427	0.6
185.06094	0.3
199.18037	0.6
245.13046	0.2
245.18575	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	245.1858
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.05490	0.3
67.05514	0.3
69.07052	0.6
71.44906	0.2
73.63024	0.2
79.05490	0.2
86.09693	100.0
87.10029	0.8
91.05449	0.3
93.07019	0.2
95.08601	0.3
99.04436	0.2
105.06997	0.3
119.08618	0.2
122.79173	0.2
129.07022	0.2
132.10178	3.3
137.46567	0.2
142.06584	0.3
157.05000	0.2
175.07596	0.2
199.03859	0.3
199.11125	0.4
199.18037	1.7
242.23930	0.2
245.04407	5.8
245.08240	0.6
245.11783	0.6
245.18570	3.9
246.04718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.3
57.05819	0.4
58.06591	0.3
69.03427	0.2
69.07061	10.9
69.73119	0.6
70.06571	0.3
85.02856	0.4
86.09695	100.0
87.10033	0.8
92.93314	0.2
95.08585	0.6
99.43048	0.2
115.05413	0.2
124.01377	0.2
129.06995	0.3
132.10172	2.0
171.04352	1.2
195.80409	0.2
199.03880	1.0
199.18117	0.9
245.13445	0.6
245.18591	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	246.0757
Annotation	Delbine
Peak:m/z	Relative Intensity
50.75203	0.3
55.01864	2.8
56.05122	0.2
70.77992	0.4
73.76991	0.2
81.07033	0.4
91.05476	1.3
95.08604	0.5
98.89900	0.3
103.05453	4.0
105.03365	1.2
105.06992	0.6
115.05436	4.3
116.04965	0.3
116.06235	0.3
117.07007	9.3
127.05423	1.9
128.06203	3.7
129.03333	0.6
129.06981	11.2
130.02846	0.5
130.06502	0.6
131.04904	12.3
131.08527	0.6
133.06465	1.1
135.04483	0.2
141.06934	0.4
143.04919	2.7
144.05669	0.8
144.08049	1.1
145.06456	6.3
146.05974	0.7
154.06516	2.2
155.04898	18.6
155.06026	2.3
156.05556	0.5
156.08073	0.8
157.06465	5.2
157.07697	0.2
158.05998	2.7
159.04390	20.9
160.04747	0.4
172.07561	2.7
173.05963	4.6
182.05975	1.0
183.04385	6.7
184.07469	0.3
185.05989	0.6
186.05566	0.3
187.06261	1.2
200.07031	21.2
201.05460	9.7
201.07353	0.9
202.05862	0.3
203.06998	1.2
218.08052	0.8
219.06468	2.1
227.50163	0.3
228.06531	0.8
229.04955	0.5
245.22705	0.3
246.07576	100.0
247.05881	0.8
247.08089	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0759
Annotation	Heliparvifoline
Peak:m/z	Relative Intensity
52.70657	0.3
54.75827	0.4
55.01859	0.5
55.05501	0.5
67.05477	0.6
69.14973	1.2
69.15383	0.7
70.06581	0.4
79.05492	0.5
81.07027	0.5
91.05470	0.7
92.04974	0.8
93.07047	0.7
95.08617	0.6
98.91386	0.3
103.05448	1.1
104.99202	0.3
105.07022	0.7
107.08591	0.5
109.10159	0.6
115.05447	1.0
116.04966	2.4
117.06998	6.4
118.06557	0.6
119.08609	0.4
121.06500	0.4
128.06218	1.4
129.06984	8.7
129.07967	0.4
130.06494	3.0
131.04906	81.4
132.05399	1.1
133.05200	0.4
134.05974	1.2
144.08064	2.6
145.05312	0.6
145.06450	5.7
145.10150	0.5
146.05901	0.5
154.06432	0.3
155.04874	2.2
155.06006	0.7
157.06456	3.0
158.05989	37.1
159.04430	7.0
159.06772	12.9
159.07909	0.3
172.07559	5.4
173.04683	1.1
173.06001	1.5
182.05989	0.4
186.05470	60.4
187.03835	0.9
187.05827	1.7
190.08603	0.5
200.07043	15.0
201.05399	1.7
201.07146	0.4
201.16312	0.4
218.08083	100.0
219.08455	1.9
228.06511	1.5
229.04858	0.4
245.22754	0.8
246.07559	41.1
247.07886	1.3
247.16803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0758
Annotation	Heliparvifoline
Peak:m/z	Relative Intensity
50.39038	0.5
55.01859	0.8
55.05515	0.5
69.07066	0.8
69.39169	2.0
81.07047	1.2
83.92605	0.5
91.05505	0.6
93.07054	0.8
95.06062	0.5
95.08591	1.5
107.08551	0.7
115.05423	0.9
116.04952	1.7
117.07003	6.9
128.06187	1.5
129.06996	9.0
130.06505	2.4
131.04913	78.4
132.05745	0.8
134.06015	0.9
137.53516	0.5
143.69252	0.6
144.08096	3.1
145.06482	4.9
149.13225	1.2
152.95238	0.5
155.04880	2.0
155.06023	0.6
156.08159	0.7
157.06464	2.2
158.05997	35.0
159.04442	6.0
159.06784	11.9
172.07565	4.9
173.04643	1.1
173.05991	1.3
186.05481	61.6
187.03937	0.6
187.05789	1.4
191.06877	0.7
200.07050	16.2
201.05380	1.1
218.08099	100.0
219.08377	1.9
228.06477	1.0
246.07590	46.3
247.08037	0.9
247.24084	0.7
268.40225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0759
Annotation	Heliparvifoline
Peak:m/z	Relative Intensity
70.68834	0.8
91.27153	0.5
92.05006	0.4
93.12370	0.4
95.24532	0.5
103.05446	0.9
115.05483	0.5
116.04961	3.0
117.07000	5.9
128.06204	0.9
129.06978	9.1
130.06502	1.8
131.04904	79.3
132.05235	0.9
133.05252	0.4
134.05974	0.8
144.08057	3.3
145.06465	4.8
155.04866	1.7
155.06061	1.0
157.06479	3.0
158.05984	33.9
159.04407	8.4
159.06769	12.0
172.07553	5.7
173.04645	1.1
173.05981	1.1
186.05472	62.9
187.03902	1.0
187.05891	1.3
200.07034	13.9
201.05463	1.2
208.28340	0.4
218.08089	100.0
219.08456	2.4
228.06541	1.5
246.07576	44.9
247.07901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71931	1.1
51.86949	1.1
55.01862	2.0
56.96542	3.1
57.03423	2.5
58.06591	2.0
70.02927	2.0
70.06573	3.0
71.42606	1.5
72.04498	1.5
72.08118	1.4
72.22233	1.3
73.02890	1.4
74.02418	1.6
76.97466	1.1
84.08089	2.6
85.02877	3.0
86.09708	1.4
95.41052	1.2
96.01640	1.6
97.02895	2.7
97.04000	10.7
98.98447	34.1
100.07593	5.8
100.09653	1.3
101.00865	5.1
104.10725	6.8
109.02869	1.6
109.64938	1.2
114.05460	1.4
115.05040	4.3
117.10238	3.1
118.08614	2.3
118.10628	1.3
119.01896	21.7
123.04363	1.3
128.03391	4.9
129.02162	1.2
129.03780	3.8
132.61334	1.3
133.03459	5.7
137.02902	6.3
147.03204	1.8
157.06487	1.7
159.01393	2.4
161.02950	3.5
168.99678	1.4
173.02106	6.1
174.03989	4.6
175.04309	10.3
177.02469	6.4
179.02116	1.3
187.00800	2.0
187.02344	1.7
191.02231	4.3
191.03893	2.8
201.12169	1.7
215.00232	1.9
219.03491	4.0
229.03165	36.4
229.05228	1.4
246.18105	2.8
247.04207	100.0
248.09128	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	247.0963
Annotation	Mansorin I
Peak:m/z	Relative Intensity
55.05501	1.3
56.62710	0.2
57.07070	1.3
65.73508	0.2
68.81682	0.3
68.99773	0.8
69.61564	0.8
70.06597	2.3
71.06935	0.3
77.03932	0.4
78.04706	0.3
79.05475	0.4
83.01334	1.8
88.07622	2.8
89.07938	0.3
91.05463	2.8
93.07041	1.5
95.04939	0.5
102.09174	0.8
103.05451	0.9
105.07014	0.5
106.04170	0.5
106.08644	1.6
107.04916	0.6
109.06493	0.3
115.05465	0.6
119.04914	0.4
121.05611	0.4
121.06485	7.4
128.06210	0.4
131.03947	0.5
131.04904	6.2
131.08528	1.1
134.03606	1.8
135.04372	0.8
144.05641	0.5
147.04361	0.6
149.02315	0.8
149.05962	3.7
159.04393	2.3
159.08051	1.2
162.03088	14.7
163.03847	1.0
163.07564	0.7
164.04659	0.7
168.98126	0.3
177.05415	3.4
187.07524	4.5
189.05429	0.5
190.02580	22.9
191.03348	4.3
191.07030	0.7
205.04927	100.0
206.05264	2.5
217.04912	0.9
219.06497	5.1
219.09962	0.3
228.23120	0.4
246.07457	0.4
246.24239	10.2
247.09613	53.2
247.24599	7.5
248.09930	1.5
248.55815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0962
Annotation	Mansorin I
Peak:m/z	Relative Intensity
52.56926	0.2
53.00321	0.2
55.01853	0.4
55.05485	0.8
60.87880	0.3
68.81474	0.2
68.99777	0.5
69.63964	0.5
69.64351	0.5
79.05462	0.4
83.01329	1.3
90.65427	0.2
91.05463	3.3
93.07027	1.9
94.94135	0.2
95.04920	0.7
100.83569	0.3
103.05443	1.1
103.44822	0.2
105.06998	0.5
106.04163	0.6
108.78474	0.3
119.04966	0.5
121.02818	0.5
121.06481	7.5
131.04907	5.2
131.08603	0.6
133.02844	0.3
134.03595	2.2
147.04338	0.7
149.02312	0.4
149.05942	3.5
159.04366	1.6
159.08023	0.8
161.05919	0.3
162.03096	14.7
163.07430	0.4
169.57289	0.3
177.05437	3.0
187.07494	3.3
190.02580	23.4
191.03078	0.6
191.06995	0.8
204.04199	0.3
205.04930	100.0
206.05307	2.4
217.04892	0.8
219.06488	5.0
247.09618	31.7
247.24669	0.5
248.09937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41180	0.2
55.01866	0.3
55.05496	0.7
58.31032	0.2
68.49522	0.2
68.99793	0.4
69.03428	0.3
70.06550	0.2
70.24644	0.3
77.03936	0.3
78.04708	0.3
79.05486	0.3
83.01334	1.5
91.05471	2.5
93.07036	1.8
95.04948	0.5
98.22788	0.2
103.05466	1.1
105.07019	0.6
106.04144	0.6
107.04897	0.3
109.06525	0.3
115.05445	0.5
119.04932	0.5
121.02861	0.3
121.06493	7.1
126.84472	0.2
128.06197	0.2
131.04909	4.3
131.08519	0.7
133.06422	0.3
134.03618	1.8
141.06926	0.2
144.05688	0.3
146.97229	0.2
147.04376	0.7
149.02339	0.7
149.05960	2.9
159.04401	1.9
159.05557	0.3
159.08029	0.6
161.06006	0.3
162.03105	14.9
163.03642	0.4
163.07501	0.7
164.04607	0.3
176.04797	0.3
177.05444	3.0
187.07516	3.1
189.05392	0.3
190.02583	21.5
191.02980	0.7
191.07001	0.4
192.04153	0.2
193.04935	0.2
204.04091	0.4
205.04936	100.0
206.05286	2.6
215.07095	0.2
217.04948	0.7
219.06490	4.6
246.07590	0.4
246.24182	0.4
247.09628	29.6
247.24538	0.4
248.09976	0.7
255.59818	0.2
259.02304	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	247.0962
Annotation	Mansorin I
Peak:m/z	Relative Intensity
53.03946	0.2
55.01856	0.4
55.05490	0.6
59.13814	0.2
62.47500	0.1
65.03911	0.2
68.99760	0.7
69.03409	0.4
70.49600	0.4
72.02900	0.1
77.03918	0.2
78.04729	0.2
79.05485	0.4
83.01329	1.3
86.80758	0.2
91.05470	2.8
91.29677	0.1
93.07027	1.6
95.04945	0.6
103.04915	0.2
103.05463	1.5
104.99232	0.2
105.06987	0.5
105.67677	0.1
106.04149	0.8
107.04926	0.4
108.68568	0.2
109.06503	0.4
115.05432	0.5
116.06168	0.3
119.04905	0.6
121.02815	0.5
121.06485	7.4
128.06201	0.3
129.06967	0.3
131.03952	0.3
131.04907	5.5
131.08549	0.8
133.06448	0.3
134.03606	1.7
135.04387	0.2
141.06914	0.5
147.04338	1.1
149.02284	0.8
149.05956	3.7
149.07158	0.2
156.47371	0.2
159.04402	2.4
159.05650	0.2
159.08032	1.2
161.02284	0.3
161.05920	0.2
161.19812	0.2
162.03091	16.3
163.03642	0.3
163.07501	0.7
164.04639	0.4
165.05353	0.2
173.05887	0.2
175.03873	0.7
176.04689	0.2
177.05432	3.2
187.07523	3.4
189.05470	0.2
190.02574	23.5
191.02946	0.6
191.06995	0.6
192.03944	0.2
193.04912	0.2
204.04141	0.3
205.04924	100.0
206.05255	2.4
217.04880	0.7
219.06479	5.1
219.09886	0.2
239.55945	0.2
246.07532	0.3
247.09613	36.6
248.09930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Mansorin I
Peak:m/z	Relative Intensity
53.03934	0.2
55.01849	0.3
55.05492	1.3
60.18869	0.2
66.16373	0.2
67.01862	0.2
68.99775	0.6
69.03403	0.3
69.59410	0.8
77.03922	0.2
79.05476	0.5
83.01331	1.7
91.05463	3.6
92.32015	0.2
93.07038	1.6
95.04948	0.7
103.05449	1.3
104.99257	0.5
105.04507	0.2
105.07002	0.8
106.04141	0.6
107.04924	0.4
108.02068	0.2
109.06492	0.5
115.05419	0.5
116.06198	0.3
119.04917	0.7
121.02829	0.5
121.06487	7.9
128.06195	0.5
129.06975	0.4
131.03944	0.3
131.04912	5.7
131.08536	1.1
133.06447	0.5
134.03618	1.9
141.06934	0.3
144.05667	0.4
147.04372	0.8
148.05128	0.2
149.02283	0.8
149.05952	3.5
150.03094	0.2
159.04382	2.2
159.05545	0.3
159.08020	1.1
161.02284	0.5
161.05936	0.4
162.03094	16.3
163.03577	0.3
163.07524	0.7
164.04655	0.7
176.04648	0.2
177.05434	3.2
187.07506	4.8
188.08090	0.3
189.05505	0.5
190.02577	24.2
191.02946	0.6
191.07036	0.5
191.10663	0.2
193.04961	0.5
204.04153	0.3
205.04929	100.0
206.05269	2.4
217.04895	1.2
219.06473	5.2
219.09929	0.4
232.07417	0.2
246.07727	0.3
246.24255	0.2
247.09613	45.5
248.09895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Mansorin I
Peak:m/z	Relative Intensity
55.01849	0.3
55.05519	0.6
68.99780	0.5
69.03423	0.6
69.50734	1.0
77.03922	0.3
78.04697	0.3
83.01342	1.5
91.05479	3.0
93.07031	1.3
95.04970	0.7
103.05450	1.2
105.06998	0.4
106.04125	0.6
109.06477	0.4
112.17219	0.2
115.05414	0.4
119.04906	0.5
121.02862	0.4
121.06499	6.8
131.04912	5.0
131.08551	0.6
134.03616	2.1
141.06996	0.4
147.04402	0.7
149.02327	0.6
149.05988	3.2
157.24826	0.3
159.04414	1.8
159.08037	0.9
161.02348	0.5
162.03119	15.7
163.03557	0.4
163.07507	0.7
164.04730	0.4
177.05475	2.7
179.15756	0.3
187.07588	3.2
190.02602	21.3
191.02919	0.5
191.07071	0.6
203.03467	0.3
204.04144	0.4
205.04958	100.0
206.05330	2.1
217.04990	0.7
219.06523	4.7
219.10045	0.3
246.07635	0.3
247.09648	33.2
248.10013	0.6
253.81747	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	247.0963
Annotation	Mansorin I
Peak:m/z	Relative Intensity
55.01858	0.5
55.05492	1.5
67.05476	0.5
68.99763	1.3
69.03417	0.9
69.18839	2.3
77.03900	0.4
78.04707	0.4
79.05465	1.2
80.62642	0.4
81.07024	0.8
83.01316	1.5
88.88942	0.4
91.05460	3.9
93.07021	2.6
93.86850	0.4
95.04928	1.3
95.08582	0.6
98.22652	0.8
102.77494	0.4
103.05444	1.2
104.99224	0.8
105.06991	1.5
106.04146	0.5
107.04934	1.1
107.08566	0.7
109.06487	0.8
115.05434	1.1
117.07006	1.1
118.94668	0.4
119.04926	0.8
119.08561	1.2
121.02838	0.4
121.06490	6.8
121.10105	0.7
123.04340	0.5
124.69904	0.4
128.06192	0.7
129.07001	0.9
131.04916	7.8
131.08569	1.8
133.06476	0.5
133.10080	0.9
134.03618	1.6
135.08029	0.6
141.06990	0.8
144.05617	0.5
145.06416	0.6
145.10062	1.1
147.04393	1.6
149.02342	0.7
149.05948	4.6
159.04419	2.6
159.08037	1.7
159.11621	0.6
161.05959	0.5
162.03093	13.7
163.03891	3.4
163.07501	1.0
169.06494	0.5
173.05965	0.6
173.13194	0.6
175.07581	0.4
177.05431	3.0
187.03746	0.4
187.07530	4.7
190.02586	22.9
191.03369	6.9
191.06946	1.1
191.08514	0.5
192.03969	0.4
199.03879	0.4
199.34315	0.4
201.12802	0.4
201.16350	1.6
204.04034	0.6
205.04932	100.0
206.05278	2.5
215.07011	0.5
217.04950	0.8
219.06390	6.6
219.09908	0.6
229.08572	0.9
232.07185	0.5
247.05769	3.2
247.09625	57.9
247.16595	2.0
247.23965	0.5
248.09938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
54.59816	0.6
55.01859	1.4
57.03421	1.0
57.07067	92.6
58.07404	1.2
61.02631	0.8
61.02920	11.9
69.03418	28.3
69.64021	1.9
71.04997	1.4
72.08146	1.2
81.03395	3.0
85.02894	10.6
85.06529	100.0
86.03195	0.6
86.09639	0.7
87.04450	0.7
91.05479	1.4
97.02875	8.5
98.23438	1.1
99.04426	2.5
103.05431	1.6
103.07558	1.0
109.02873	4.3
115.05411	1.3
117.06946	0.7
120.08068	2.5
127.03896	19.6
128.06209	1.0
129.06990	3.8
131.04868	1.3
131.08527	0.8
132.05209	2.4
133.89561	0.5
141.06898	0.7
145.04901	3.3
145.06424	1.1
147.07967	1.1
156.08022	1.8
157.06418	2.3
160.07339	0.7
169.08536	2.5
169.09898	0.6
170.05966	0.9
171.04404	0.7
173.05901	1.0
175.07495	0.8
179.20819	0.7
184.07532	0.8
185.05864	1.0
187.05750	1.9
187.07362	0.7
202.08578	1.1
203.06981	1.7
219.06563	0.7
219.08408	4.8
220.09465	0.7
229.10616	1.0
230.07982	0.9
247.07797	2.0
247.11539	2.5
247.14063	0.7
248.09129	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	247.1328
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
50.37447	0.7
51.31080	0.7
51.50090	0.6
53.03941	3.1
55.05503	74.9
56.05833	0.9
57.07069	0.8
67.05499	1.2
71.42858	0.9
73.51848	0.8
73.94028	0.7
79.05485	1.5
81.07034	1.6
83.04969	100.0
84.05347	1.0
89.78819	0.7
91.05483	6.5
93.07043	2.0
95.08589	1.1
96.08914	0.8
103.05466	0.9
104.99252	10.1
105.07015	0.8
107.04924	1.1
109.10102	0.9
117.07015	3.3
119.08559	17.5
119.09414	1.0
129.06978	1.6
132.05717	3.4
135.11670	0.9
147.08023	38.0
148.08347	0.8
159.05586	0.9
247.13200	3.1
247.16953	1.9
247.20653	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03941	3.5
53.62474	1.5
55.01849	4.3
55.05489	4.6
57.07063	3.3
61.29075	1.7
65.03917	5.4
67.05488	7.9
69.03103	1.8
69.03419	19.8
69.07047	2.4
69.33679	8.7
70.06557	1.8
79.05471	10.6
81.07045	11.5
83.04966	22.5
85.02850	2.0
85.06503	3.8
91.05466	25.4
92.05836	1.8
92.29194	1.6
93.03396	4.6
93.07033	15.8
95.04958	12.1
95.08578	6.1
97.02872	8.7
99.04481	2.4
102.05506	6.6
105.04481	1.8
105.07007	19.3
107.04906	3.6
107.08564	15.6
109.02863	14.5
109.06503	15.6
109.10119	6.5
111.04413	5.6
111.08041	2.0
115.03880	1.9
115.05453	5.0
117.07007	12.2
119.08546	21.2
121.02836	5.1
121.06479	18.4
121.10120	6.5
123.08065	3.8
125.05943	2.0
128.06207	4.3
129.06972	11.6
131.04878	2.2
131.07780	2.0
131.08562	19.1
131.71031	1.6
132.05695	2.9
133.06454	1.9
133.10104	14.5
135.04494	2.7
135.08040	31.0
135.11600	1.9
137.05943	4.8
137.09583	4.2
139.03882	2.6
141.06952	3.5
142.07761	2.2
143.08543	12.8
144.09315	8.9
145.06453	12.6
145.10129	16.3
146.07266	3.3
147.08023	8.5
147.11656	3.2
149.05872	2.3
149.09613	22.7
150.10358	4.2
151.07405	1.8
151.11125	3.3
153.07010	2.4
153.09001	2.4
155.08543	6.5
156.09290	2.4
157.06401	3.9
157.10098	5.7
158.07179	2.5
158.10902	14.8
159.08031	17.1
159.11681	27.4
160.08804	3.6
161.09540	7.4
163.07520	19.2
163.11115	4.7
165.09088	2.5
168.09312	6.7
169.10100	4.6
170.10934	5.6
171.08028	7.7
172.08807	17.5
173.09613	32.5
173.13242	36.8
175.07477	2.7
175.11159	1.7
181.06525	2.3
183.11662	11.2
185.13268	3.6
186.10371	24.0
186.18486	2.1
186.20291	1.8
187.07568	4.8
187.11153	100.0
187.14711	3.7
188.11519	3.1
189.09076	2.3
191.03331	3.5
191.06989	38.2
193.10173	2.1
196.08769	5.0
199.07500	3.5
201.09064	2.2
201.12706	57.0
201.16435	2.2
203.14284	2.1
205.12204	5.8
211.11223	12.4
214.09830	4.1
219.13733	5.8
229.12198	63.2
229.15880	4.0
247.07635	3.0
247.09650	4.0
247.13245	78.7
247.16891	10.0
248.09183	3.1
248.13722	2.3
248.22134	3.8
259.51035	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
50.20258	1.6
53.03937	3.2
55.01862	2.7
55.05499	4.8
57.07069	2.4
57.55999	2.0
65.03927	5.3
66.39148	1.6
67.05479	6.0
69.03424	22.5
69.07039	1.8
69.75022	6.3
79.05476	9.8
81.07042	7.9
83.04963	18.4
91.05459	16.7
93.03397	4.5
93.07054	13.5
95.04944	7.3
95.08579	4.8
97.02870	7.4
98.22679	3.1
105.07011	14.8
107.04903	2.6
107.08578	17.1
109.02868	11.0
109.06499	8.3
109.10141	3.6
111.04417	6.3
111.08088	1.7
115.05427	4.2
117.06994	11.6
119.08570	16.8
121.02819	3.0
121.06484	15.3
121.10123	6.9
123.08057	2.0
128.06207	6.3
129.06973	7.0
130.07790	2.2
131.04900	1.8
131.08566	17.6
132.05705	3.3
133.06497	2.7
133.10120	8.9
135.08026	27.9
137.06010	3.9
139.85249	1.7
142.95515	1.7
143.08545	12.3
144.09326	6.5
145.06483	13.6
145.10124	13.1
146.07146	2.1
147.08029	6.4
149.05908	2.1
149.09602	22.1
149.13196	1.9
150.10379	2.4
151.07463	2.0
151.11156	3.3
155.08546	5.8
157.10106	4.2
158.07210	3.8
158.10938	10.8
159.08057	15.3
159.11685	25.8
160.08849	4.9
161.05974	4.9
161.09631	7.2
163.07539	18.4
163.11174	3.4
168.09352	2.0
169.10118	2.5
170.10899	5.5
171.08060	8.0
172.08801	16.3
173.09610	26.8
173.13243	30.3
175.07541	5.7
176.04671	6.9
176.60625	1.6
181.06493	1.8
183.11681	9.1
185.09570	2.2
185.13225	2.3
186.10394	22.3
187.07545	3.4
187.11154	87.5
189.05457	17.3
189.09064	3.7
191.07005	41.5
196.08846	4.5
201.12706	50.5
201.16280	8.3
203.06944	8.1
204.07773	7.5
205.12181	5.9
211.11133	11.0
214.09851	4.1
219.13788	5.2
229.09952	2.9
229.12218	57.7
232.07278	2.4
247.07481	6.3
247.09657	35.6
247.13174	100.0
247.17047	3.6
247.24150	2.4
248.09061	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01870	3.9
56.96318	0.7
56.96563	7.6
57.03433	3.1
61.02907	1.8
65.34418	0.4
69.03426	9.8
69.45057	1.0
69.45447	1.0
71.01344	0.9
71.04986	1.0
73.02911	6.2
79.05469	1.2
81.03403	2.5
83.01331	1.7
84.96029	1.5
85.02903	8.0
87.04462	0.9
91.05471	5.9
93.03391	0.7
94.93020	3.0
96.05863	0.5
97.02885	16.7
98.97577	10.7
99.04415	1.2
101.00824	0.7
102.01565	1.0
103.05432	1.2
104.10733	10.3
105.07014	1.1
105.11060	1.3
106.06527	2.1
107.04948	2.6
108.01524	0.7
109.02295	0.4
109.02892	4.0
110.01293	2.0
110.97540	3.0
111.06763	0.7
112.99098	0.7
115.03917	1.4
115.05439	2.5
116.06246	0.7
116.98608	3.9
117.02088	0.5
117.07039	3.1
118.06567	0.9
119.01797	4.2
119.04909	1.7
119.08555	1.5
120.05704	3.2
120.08132	0.5
121.02873	1.1
121.06478	0.7
122.01251	0.6
122.03627	1.2
122.06027	1.0
123.02007	1.2
124.99139	1.5
125.01779	1.4
126.02529	0.5
127.03893	2.0
128.02325	2.6
128.06209	5.4
128.98611	3.5
129.02020	0.6
129.06996	23.7
131.00154	0.7
131.01819	1.3
131.04932	1.9
131.08551	8.6
133.06494	1.7
134.06015	1.7
134.99634	1.0
135.04393	2.1
137.01749	1.8
138.02501	0.7
139.05356	0.6
139.06288	0.7
140.02304	2.5
140.98569	3.3
141.06973	6.2
143.00195	2.5
143.01813	1.3
143.04907	0.9
144.02577	0.6
144.05661	1.1
145.05000	0.7
145.06482	5.1
146.02301	5.1
146.05988	5.2
146.99648	1.6
147.03111	1.2
147.04369	1.8
147.06935	0.8
147.08022	4.3
148.05151	2.5
149.05992	0.7
152.02234	2.8
152.07114	0.9
152.98560	1.0
153.03062	1.4
155.02843	3.3
155.06125	1.1
156.08064	3.3
157.06474	25.0
158.02266	4.4
158.99614	5.0
159.08041	6.2
161.01216	2.4
161.02841	6.7
161.05977	1.7
161.52995	0.9
167.02814	30.1
167.52988	2.0
169.06458	2.2
170.03368	2.0
170.05927	0.8
170.99643	3.6
173.01224	1.0
173.02808	1.3
173.47945	0.6
174.09140	1.9
175.07536	4.7
176.03345	18.2
176.53481	2.2
177.00737	1.8
178.53645	1.1
182.03348	14.8
182.53531	1.1
182.99637	1.1
183.04918	0.6
184.07578	4.4
185.05957	21.3
187.07512	3.3
188.03290	0.8
188.06998	1.6
189.00699	2.9
191.03865	19.1
191.05620	0.9
191.53999	2.0
200.04613	1.0
201.00653	2.0
202.08606	2.5
203.03889	1.7
203.06993	15.6
207.01839	0.9
213.05412	7.2
218.04417	1.4
219.01740	6.8
219.85771	0.5
220.09651	3.2
224.67076	0.6
230.08156	4.0
231.06467	4.7
237.02832	5.0
239.04933	7.7
239.55087	1.4
243.01753	0.9
248.05536	5.7
248.09157	100.0
249.09544	2.0
261.02890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.1
57.70320	0.6
64.70969	0.7
69.12370	2.5
69.12774	2.0
75.26987	0.7
79.05483	1.4
83.00880	0.7
83.01331	5.3
83.01747	1.0
91.05457	10.2
92.06252	1.5
93.03387	1.5
95.01288	0.9
97.02881	2.5
103.05442	2.8
105.03393	0.8
105.07002	2.9
106.06542	1.9
107.04924	4.1
109.02856	1.6
115.05454	5.5
116.06217	0.9
117.06991	5.8
118.06448	0.9
119.04917	4.3
119.08559	2.6
120.05720	8.7
121.02866	1.6
122.06024	1.1
128.04898	0.9
128.05254	1.0
128.06204	9.1
129.06982	44.7
130.06458	0.7
131.04900	1.9
131.08548	9.6
132.08067	1.9
133.05505	0.7
133.06480	4.4
134.06000	1.1
135.04370	3.8
139.05367	2.5
141.06976	11.1
142.06474	1.1
143.04915	2.9
144.05679	1.9
145.06479	9.7
146.05995	11.5
146.09636	1.1
147.04413	4.5
147.06786	1.6
147.08018	6.7
148.05164	6.9
148.07535	1.3
152.07043	1.4
155.05988	1.4
156.08069	8.5
157.06461	41.5
159.08017	11.8
160.07538	1.5
161.05951	2.8
167.04935	1.7
169.06441	4.2
170.06046	1.5
171.04327	1.0
173.98494	0.7
174.09125	2.8
175.07532	8.1
184.07565	11.5
185.05954	33.3
186.06244	1.0
187.07542	3.1
188.07060	2.4
189.05534	1.0
195.04291	0.8
202.08609	6.0
203.07007	24.1
212.07025	2.6
213.05409	12.3
220.09601	3.8
230.08080	7.7
231.06477	6.5
248.09143	100.0
249.09537	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0914
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
55.01870	3.7
57.37337	2.6
64.83937	2.2
66.84875	2.4
68.54038	2.3
115.05417	6.5
125.76285	2.8
128.06200	4.4
129.06978	22.5
131.08551	9.2
132.08118	7.0
141.06975	7.1
143.04919	4.1
156.08058	10.7
157.06473	32.6
160.07596	3.5
171.04430	2.8
174.09126	31.6
175.07549	4.6
184.07552	18.5
185.05952	72.1
185.07565	4.7
202.08607	84.0
203.07024	34.2
203.08873	5.5
230.08092	100.0
248.08943	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	248.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26104	0.5
53.03935	0.7
53.97354	0.6
55.01859	3.6
55.79922	0.7
56.96547	1.6
63.61439	0.6
69.03422	1.7
70.68327	1.0
73.02897	1.2
79.05482	1.8
81.03401	0.8
83.01341	6.3
85.02892	1.6
91.05460	9.4
93.03381	0.8
95.04964	1.0
97.02888	3.4
98.97575	4.9
99.00784	0.6
103.05467	2.8
105.07019	3.6
106.06561	2.0
107.04935	4.5
109.02874	2.6
110.97568	1.0
115.03942	0.9
115.05444	5.0
116.06224	1.7
116.98578	2.3
117.07005	3.3
119.01777	0.8
119.04935	3.4
119.07326	0.9
119.08562	2.0
120.05706	9.4
121.02831	1.0
123.00724	0.8
123.04404	0.6
128.05104	1.1
128.06207	8.2
128.98643	0.6
129.06987	36.5
130.06468	0.6
131.04901	2.0
131.08551	7.6
133.06473	3.0
134.05974	2.2
134.99606	0.8
135.04396	3.4
139.05431	1.7
141.06975	12.2
143.04903	1.5
144.05679	1.1
145.06467	4.4
146.05983	9.7
146.09702	0.7
147.04399	3.4
147.06830	1.1
147.08037	4.2
148.05168	5.9
149.05948	0.9
152.07066	1.2
155.06012	1.9
156.08069	5.6
157.06471	32.4
159.08023	8.3
161.05952	2.4
166.06528	0.8
167.02832	3.4
167.04994	1.7
169.06433	4.7
169.07634	0.5
170.99670	1.3
171.04308	0.8
174.09142	1.3
175.07559	3.4
176.03381	3.6
182.03346	1.2
184.07565	8.9
185.05951	31.9
187.07480	3.0
188.03339	0.9
189.00720	1.0
191.03799	0.9
192.10132	0.8
202.08580	1.9
203.03918	1.4
203.07008	26.6
204.07391	0.8
205.08575	1.2
207.01561	0.8
212.07005	1.5
213.05435	12.0
218.04486	1.1
220.09669	2.6
230.08090	1.9
231.06519	7.1
237.02646	0.8
239.04907	2.7
248.09160	100.0
249.09547	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	248.0917
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03935	0.7
55.01869	7.7
66.11941	0.6
69.03433	0.8
69.96293	1.7
73.69067	0.5
79.02531	0.6
79.05472	1.0
81.03393	0.8
83.01336	2.3
84.91299	0.5
91.05474	10.0
93.03395	0.7
93.07045	0.7
95.04976	0.7
97.02890	0.8
98.23508	0.6
103.05472	2.8
105.07031	3.1
106.04206	0.7
106.06543	1.5
107.04918	3.0
109.02834	1.2
115.05433	4.7
116.06261	0.8
117.07004	5.4
118.06525	2.1
119.04913	2.6
119.08578	2.6
120.05708	3.6
120.08105	0.6
121.06503	1.3
122.06019	3.6
128.06197	7.1
129.06993	37.7
131.04942	2.6
131.08551	11.6
132.04373	1.3
132.08057	1.4
133.05272	0.6
133.06480	2.6
133.62944	0.7
134.03593	1.0
134.06015	1.2
135.04402	1.5
141.06967	8.9
143.04893	1.8
144.05690	1.8
145.06465	10.2
146.05989	6.9
147.04369	2.3
147.08025	10.9
148.05150	2.8
148.07556	2.1
149.05975	1.4
150.05515	2.0
151.06239	1.1
155.05997	1.7
156.08061	5.3
157.06470	39.5
158.06883	0.9
159.08031	13.1
160.05229	0.6
160.07561	2.7
161.06012	3.2
166.06358	0.7
167.04875	0.8
169.06400	2.8
169.07750	0.6
170.05992	1.1
171.04417	0.7
174.09117	5.5
175.07524	9.9
177.09038	1.3
180.87015	0.6
184.07542	6.1
185.05960	23.3
187.07544	3.6
188.07022	5.1
189.05403	0.9
195.33807	0.6
202.08617	9.2
203.07005	15.4
204.07289	0.6
205.08588	0.7
213.05423	9.3
220.09676	7.3
230.08070	4.9
231.06456	4.6
248.09152	100.0
249.09521	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0917
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
69.03414	0.8
70.77962	0.9
91.05470	2.8
93.05801	1.4
94.06569	0.8
95.04958	1.3
96.96717	0.7
105.03361	1.5
105.07014	1.8
107.04924	0.8
115.05437	15.3
117.05743	1.6
117.06997	3.2
118.06544	1.0
127.27499	0.7
128.06207	3.8
129.06978	8.5
130.06493	2.1
131.07333	1.0
131.08560	1.4
132.08080	31.2
133.02827	1.8
133.06438	1.3
133.08438	1.0
136.07547	2.1
137.04727	0.7
139.05405	5.0
141.06972	15.2
142.06474	4.7
142.07417	0.9
143.04968	4.2
143.07288	17.2
144.08072	50.4
145.02847	3.7
145.06479	4.1
145.08348	1.1
146.05972	5.6
146.09508	0.8
155.06055	4.5
156.08067	8.1
157.06424	4.4
157.08794	0.8
158.05951	1.4
158.09644	4.3
159.06764	0.9
159.08006	1.3
160.07539	5.0
161.05937	1.5
164.04160	0.8
166.06505	2.2
167.04913	1.4
167.07283	6.6
168.08052	14.2
169.05194	1.1
169.06464	3.3
170.05980	9.2
174.09061	1.1
178.08661	0.8
183.06891	1.0
184.07552	6.6
185.05971	6.5
186.09109	10.9
188.07059	23.1
194.05977	1.4
195.04391	1.4
202.08609	48.3
203.07019	1.0
203.08887	1.7
204.10179	1.2
212.07014	10.2
213.05450	4.7
230.08109	8.8
248.09154	100.0
249.09395	2.2
249.14830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	29.8
57.03416	2.4
64.45980	1.8
69.03410	8.9
70.38675	2.2
71.04987	24.3
87.04450	7.6
91.05485	9.8
97.02889	13.4
99.04438	28.7
100.03143	2.3
103.05450	12.3
105.07027	2.7
115.03912	100.0
115.05403	8.1
116.06260	2.2
117.05481	57.5
117.06975	7.2
118.06487	2.1
120.05676	3.7
120.08080	4.3
121.06448	3.0
128.06209	9.6
129.05669	1.8
129.06030	3.2
129.06979	37.4
130.06488	6.4
131.04898	4.0
131.08528	11.3
132.04445	4.8
132.08061	8.3
139.05397	2.5
141.06949	11.4
142.06473	12.9
143.04904	3.9
143.07291	5.1
144.08022	4.6
145.06468	8.6
146.05983	8.2
147.04338	3.1
147.06813	4.1
147.08032	5.3
148.07545	5.8
156.08070	37.6
157.05231	1.8
157.06454	36.2
157.08749	2.4
159.07983	9.3
160.07553	14.3
169.06302	2.4
170.05991	16.3
174.05585	2.3
174.09094	12.5
175.07518	6.8
184.07562	55.1
185.05949	26.1
186.09106	4.4
187.07462	3.6
188.07071	15.9
202.08594	45.9
203.07036	22.0
212.07022	38.8
213.05446	12.3
213.07372	3.7
220.09760	3.1
230.06166	1.6
230.08070	74.4
231.06396	5.2
231.08583	40.4
248.09142	83.7
248.12941	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	248.8962
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72617	0.9
86.50445	0.2
94.93002	100.0
95.37542	0.2
119.01914	0.6
136.94014	1.0
150.91925	3.8
161.02985	0.4
177.02502	0.3
202.89142	0.8
206.88568	21.0
207.88733	0.2
248.89610	14.1
248.91563	0.8
249.03674	1.1
250.31842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74081	33.7
94.92998	100.0
101.00863	9.5
206.88626	18.8
248.89583	12.4
249.03622	56.8
254.17255	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	249.0755
Annotation	Misakimycin
Peak:m/z	Relative Intensity
51.02387	0.6
51.73402	0.4
53.03933	0.7
55.01862	10.3
55.49119	0.5
65.03932	0.7
67.05518	0.7
69.03425	0.7
70.06585	1.8
70.38632	1.1
77.03918	1.5
79.05478	11.6
79.71375	0.5
81.03421	0.9
83.01329	7.0
83.04864	0.5
91.05467	25.8
92.05760	0.6
92.06271	0.9
93.03373	0.7
93.07028	0.5
95.04932	4.0
97.02881	3.8
98.23444	0.7
103.05448	5.0
105.03358	4.4
105.04507	0.8
105.07017	4.1
106.06540	0.6
107.04925	9.3
115.04633	1.1
115.05436	18.8
116.06211	1.5
117.07002	5.0
119.04929	7.9
119.08562	2.3
120.05708	6.6
121.06529	1.1
123.04427	3.4
127.05427	0.7
128.06201	19.1
129.06981	100.0
130.07310	3.0
131.04909	13.2
131.08543	28.1
133.02843	7.8
133.06462	16.3
133.07491	0.7
135.04391	36.5
136.04694	1.0
138.48090	0.6
139.05412	1.7
141.06958	11.8
142.07335	0.6
143.04903	15.5
144.05669	2.6
145.06468	5.0
147.04379	23.1
147.08035	4.9
148.05164	15.8
151.03889	2.0
155.05949	3.5
157.06458	69.8
158.06789	2.1
159.08055	3.2
161.05956	9.1
162.06326	0.6
163.03885	0.8
169.06447	3.5
171.04399	1.2
175.07515	23.8
176.07941	0.6
185.05945	46.6
186.06300	1.6
187.07562	1.0
189.05403	5.1
203.06990	30.6
204.07376	1.5
213.05447	4.5
231.06487	16.0
232.06827	0.7
249.07497	2.3
249.09483	2.1
249.12357	1.9
250.14392	2.7
267.08722	1.0
269.44681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.6
52.54160	1.0
53.03934	3.1
55.01862	23.8
55.34410	1.0
58.39433	1.0
61.21487	1.2
65.03930	1.0
67.05488	4.7
68.99792	1.0
69.03417	3.2
69.23540	0.9
69.55660	4.0
73.79449	1.1
77.03910	2.4
79.01823	1.6
79.05476	55.3
81.03394	5.7
85.02848	1.9
91.05467	35.0
93.07021	7.8
95.04958	17.5
95.88004	1.3
97.02872	26.5
103.05442	14.8
105.03381	13.2
105.04469	2.8
105.06987	9.8
107.04932	13.9
109.02861	1.3
115.05420	12.4
116.06216	2.9
117.06994	9.0
119.04922	2.6
119.08571	7.8
121.06483	18.7
123.04412	52.7
128.06201	20.3
129.06981	92.1
130.07356	2.3
131.04895	8.9
131.08542	30.8
132.05685	1.8
133.02827	75.7
133.06453	11.6
135.04396	11.6
141.06955	8.1
143.04889	1.3
144.05685	2.5
145.06468	11.2
147.04404	3.3
147.08020	23.0
149.02339	6.4
149.05933	9.1
151.03876	65.9
153.05461	3.9
155.06009	3.6
157.06459	100.0
159.04407	3.8
159.08029	14.3
161.05934	17.9
171.04350	1.1
173.05873	2.0
174.06772	1.1
175.07512	35.6
179.06923	1.4
185.05946	26.8
187.03889	7.5
187.07555	3.4
189.05435	4.2
203.06979	39.7
204.07274	1.3
205.04999	1.8
213.05457	5.4
221.08049	17.4
231.06516	9.3
249.07541	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68507	1.1
53.03937	1.3
53.46607	1.1
55.01863	25.6
65.03928	2.2
65.76862	1.1
67.05502	4.9
69.03426	3.7
69.14928	1.1
69.83932	2.6
71.07534	1.3
77.03926	2.9
79.05484	52.9
81.03404	7.6
85.02897	1.1
91.05470	39.1
93.07035	7.4
95.04958	17.9
97.02875	25.2
99.04450	1.1
103.05460	14.3
105.03388	14.6
105.04506	2.1
105.07021	9.2
107.04952	15.2
109.02885	1.8
111.59293	1.3
115.05435	11.7
116.06227	5.0
117.07011	8.3
119.04964	3.6
119.08582	7.7
121.06495	19.9
121.07314	1.7
121.91534	1.0
123.03510	2.5
123.04414	50.1
128.06207	24.9
129.06992	96.5
130.07330	2.7
131.04904	9.6
131.08549	31.8
132.05690	1.9
133.02838	72.8
133.06477	13.2
135.04385	10.6
141.06998	7.3
143.04887	1.9
144.05687	2.4
145.06471	13.2
147.04404	3.4
147.08046	24.1
149.02293	6.0
149.05972	9.7
151.03886	59.6
152.04185	1.3
153.05481	4.9
155.06042	5.3
157.06474	100.0
158.06938	3.4
159.04419	4.8
159.08034	14.8
160.05087	1.4
161.05988	13.7
167.04959	1.5
171.04408	2.0
173.05981	2.9
175.07520	31.6
175.08890	2.0
185.05948	25.7
185.32465	1.0
187.03922	5.2
187.07591	3.0
189.05475	5.0
191.35056	1.2
203.07014	33.0
203.08868	2.1
213.05444	3.5
221.08073	17.0
231.06525	7.4
249.07553	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.3
53.03933	0.9
55.01867	9.0
56.70551	0.5
61.02016	0.6
63.09515	0.6
67.05467	1.0
67.91142	0.5
68.74311	0.5
69.03438	0.9
70.37456	1.2
77.03924	1.8
79.05481	6.5
81.03400	0.7
83.01329	2.1
91.04933	1.1
91.05469	14.6
93.07042	1.0
95.04958	4.7
96.94730	0.5
97.02880	4.7
103.05464	4.4
105.03383	15.3
105.04486	1.3
105.07001	4.0
107.04929	4.5
111.57763	0.6
115.05440	8.6
116.06213	1.5
117.07014	2.9
119.04937	3.1
119.08574	2.2
120.05700	2.5
121.06545	1.0
123.04430	3.5
128.06206	12.6
129.06990	56.7
130.07332	0.6
131.04906	7.0
131.07797	0.6
131.08548	17.6
133.02835	100.0
133.06468	12.2
134.03151	2.1
135.04398	13.0
139.05394	1.2
141.06973	6.7
143.04906	7.5
144.05692	1.1
145.06479	3.3
147.04388	7.4
147.08009	4.1
148.05174	4.5
149.06041	0.9
151.03926	1.3
155.06001	2.0
157.06471	44.7
158.06938	0.8
159.08043	2.2
161.05945	11.7
161.07161	1.0
169.06459	1.7
175.07518	20.8
185.05963	26.3
187.03923	0.8
189.05484	3.2
203.07008	21.9
204.07323	0.7
213.05417	4.2
221.08099	0.9
231.06487	10.3
249.07510	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	249.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43981	0.9
52.03348	0.9
53.76813	0.9
55.01866	12.7
62.30050	1.0
63.02396	0.9
69.03408	1.5
70.37247	1.7
77.03921	1.7
79.05485	13.9
81.03400	1.0
83.01330	6.1
86.07787	1.0
91.05467	24.2
95.04956	3.7
97.02873	6.1
98.22604	0.8
103.05467	3.6
105.03395	3.9
105.07020	4.9
107.04943	10.9
115.05437	17.0
116.06255	2.2
117.07006	5.5
119.04919	6.8
119.08572	2.8
120.05714	7.8
121.06491	1.4
123.04409	3.0
128.06204	19.5
129.06987	100.0
130.07333	2.2
131.04909	12.5
131.08551	26.0
133.02838	16.2
133.06459	15.9
135.04398	33.1
139.05371	1.5
141.06978	18.1
143.04893	15.7
144.05659	2.0
145.06468	5.3
147.04395	18.6
147.08026	8.6
148.05170	11.3
151.03928	1.3
155.06032	3.5
157.06473	73.1
158.06824	1.5
158.98331	0.8
159.04372	1.6
159.08015	2.9
161.05966	12.1
167.04990	1.0
169.06506	3.0
171.04387	1.1
175.07520	29.0
185.05960	55.1
186.06313	1.1
189.05441	6.9
203.07013	35.9
204.07315	1.3
213.05434	8.9
231.06517	16.0
249.07492	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	249.0757
Annotation	5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone
Peak:m/z	Relative Intensity
53.03943	9.4
53.18476	0.8
55.01869	10.0
57.03416	2.4
57.32067	0.8
59.55843	0.9
60.61425	0.8
65.03932	6.3
67.01865	0.8
67.05496	2.7
67.42206	0.8
68.99781	0.9
69.03414	1.0
69.25999	3.4
71.04958	0.9
73.64040	0.7
77.03922	1.5
79.01841	2.6
79.05482	16.6
81.03410	41.1
81.09455	0.8
83.04969	5.2
85.02407	0.9
85.02901	14.1
91.05470	16.6
93.03397	5.6
93.07012	1.4
95.04956	8.3
97.02872	2.7
103.05463	5.6
105.03398	4.0
105.07021	10.2
107.04942	3.5
107.08561	1.4
111.04398	1.0
111.79245	0.9
115.05447	13.3
116.06223	2.6
117.07009	15.7
119.04935	8.4
119.08572	5.0
121.02838	13.9
121.06483	3.3
123.04420	20.9
126.20186	0.8
128.06212	17.5
129.06993	52.4
130.41562	0.8
131.04915	6.3
131.07658	1.1
131.08563	10.1
133.02835	18.8
133.06471	14.6
135.04408	3.2
137.02325	3.5
139.05499	1.0
141.06970	8.0
143.04903	3.4
144.05693	3.3
145.06468	28.9
147.04391	8.8
147.08063	9.9
149.02327	100.0
149.05994	3.3
150.02713	1.2
151.03883	17.7
155.06010	4.8
157.06476	72.2
158.06924	2.6
159.04440	1.5
159.08040	8.8
161.05948	24.5
165.05418	1.8
167.04836	1.7
169.06461	4.3
171.04385	4.6
175.07520	15.6
185.05957	48.0
186.06401	1.0
187.03952	1.6
187.07520	16.9
189.05447	20.1
203.07014	40.5
213.05426	20.2
221.08044	2.4
231.06506	35.8
232.06876	1.1
249.07520	15.0
267.08691	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	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01856	0.8
57.02474	0.4
57.62862	0.4
63.61270	0.6
65.03906	0.5
67.05508	1.1
69.03409	1.2
69.07047	0.5
73.37852	0.4
79.05473	1.5
81.03391	0.6
81.07041	0.8
91.05466	7.7
93.07003	0.9
95.04961	0.6
95.08564	1.3
96.27084	0.4
97.02875	1.2
102.67553	0.4
103.05437	1.2
103.73643	0.5
105.03373	0.5
105.07016	3.1
107.04938	1.8
107.08572	0.7
108.12674	0.4
109.10122	0.5
115.05420	4.7
116.06226	4.2
117.07001	3.2
118.07777	0.6
119.04919	0.5
119.08566	0.9
121.06451	1.1
123.04420	0.9
124.49532	0.5
126.48187	0.5
128.06200	11.2
129.06984	21.3
130.07732	0.5
131.04892	2.3
131.08545	17.9
132.05658	0.9
133.02853	1.4
133.06483	2.7
133.10121	1.6
135.04395	0.6
139.05386	0.5
141.06967	9.9
142.07768	4.3
143.04898	1.3
143.08542	3.8
144.05682	10.4
145.06476	6.0
146.07280	2.6
147.04395	1.0
147.08000	1.1
152.06187	1.4
153.06996	2.2
155.04877	0.6
155.06013	2.5
156.05661	1.7
157.06473	12.2
158.07236	2.4
159.08029	25.5
160.05142	1.3
160.08359	0.7
161.05980	4.1
161.09579	7.3
167.06970	1.5
169.06393	2.0
169.07579	2.7
170.07248	10.3
171.04391	1.6
171.08025	5.8
172.05194	3.5
173.05954	4.8
174.06752	2.1
175.07494	4.8
181.06398	0.6
184.05162	0.6
185.05931	1.6
186.06700	0.8
187.07512	18.9
188.08191	1.4
189.05421	3.1
189.09048	8.3
190.06261	1.1
191.07042	1.1
193.08540	0.6
198.06696	1.6
199.07478	3.1
201.05415	1.8
203.06990	7.2
204.07774	12.4
205.08502	1.8
206.09428	1.1
216.07823	3.5
217.08516	1.0
218.09372	1.3
219.10109	2.2
221.08102	0.9
221.11642	2.9
231.10136	6.6
234.08881	1.2
249.11180	100.0
250.11391	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	249.112
Annotation	Pyriculariol
Peak:m/z	Relative Intensity
51.02368	1.8
52.02689	0.9
53.03941	7.0
55.01863	9.3
55.05510	1.1
57.03417	2.6
59.04976	0.9
65.03934	7.7
67.05508	4.7
69.03416	2.2
70.60559	1.4
74.99327	0.9
75.43074	0.8
77.03931	2.2
79.01847	3.0
79.05480	17.5
81.02954	1.9
81.03407	30.8
81.07071	1.4
83.04961	4.2
85.02894	11.2
91.04929	1.9
91.05469	26.3
93.03379	5.7
93.07027	4.7
95.04969	10.9
95.08618	1.3
97.02869	3.1
98.23335	1.0
101.02380	1.3
103.05470	5.9
105.03368	4.5
105.04469	1.1
105.07020	14.2
107.04934	5.4
107.08604	1.2
109.06502	1.6
111.04424	3.7
115.05450	21.7
116.06235	6.6
117.06993	20.3
118.07832	1.0
119.04929	9.2
119.08595	5.4
120.08912	1.2
121.02849	16.0
121.06457	5.0
121.10124	1.9
123.04404	16.8
123.08042	0.9
127.05418	1.5
128.06210	25.4
129.06992	68.4
130.07759	1.2
131.04900	9.0
131.08556	28.0
132.05779	2.2
132.08882	1.2
133.02852	14.7
133.06479	19.4
133.10095	2.4
135.04375	3.4
135.08008	1.5
137.02296	1.3
137.06000	1.5
139.03885	1.7
139.05435	2.1
141.06973	18.8
142.07771	5.7
143.04929	4.7
143.08527	3.7
144.05682	12.9
145.06468	34.1
146.07251	4.8
147.04395	8.9
147.08054	11.6
147.11664	1.7
148.12006	1.2
149.02325	84.6
149.05962	2.8
151.03889	15.8
151.07547	1.5
152.06247	1.5
153.06935	2.5
153.28616	1.0
155.04886	1.6
155.06010	7.5
156.05641	2.0
157.06468	70.9
158.03671	1.0
158.07187	2.8
159.04462	2.4
159.08035	39.8
160.05186	2.3
161.05954	28.4
161.09575	9.7
165.05487	1.8
167.03375	1.4
167.04823	1.7
167.07088	1.7
169.06339	5.0
169.07651	3.9
170.07245	9.0
171.04381	6.7
171.08003	7.7
172.05173	3.2
173.05965	5.6
174.06706	2.5
175.07515	15.7
175.14948	1.1
176.04584	1.3
177.05473	1.6
178.06227	1.5
185.05959	42.0
186.06641	2.1
187.03888	1.1
187.07520	37.0
188.07944	1.6
189.05441	21.4
189.09044	11.3
190.06212	2.1
191.03378	3.8
191.07005	4.3
193.08467	1.5
198.06732	3.0
199.07544	3.2
201.05493	2.9
203.07007	39.2
203.14365	1.1
204.04227	1.6
204.07779	14.1
205.08577	3.6
206.09331	1.8
207.06366	1.1
213.05432	14.0
216.07788	4.0
217.05153	1.2
217.08586	1.4
218.09377	1.5
219.06470	3.1
219.10034	1.9
220.06828	1.1
221.08052	3.5
221.11732	3.5
231.06487	29.5
231.10019	7.3
231.13791	1.6
234.08821	2.1
249.07555	22.0
249.11201	100.0
250.11523	2.8
267.08664	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	249.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.6
55.05257	2.3
55.05506	37.6
59.04990	8.2
60.04516	2.0
61.01144	18.6
67.05492	1.7
69.22503	6.2
69.22914	2.0
72.04504	18.0
72.08141	3.2
78.03781	34.3
79.05479	7.1
81.03410	1.6
81.07037	3.1
81.43482	1.2
83.04974	12.9
86.06061	9.1
91.05442	7.1
93.07035	3.6
95.04992	1.7
97.02879	2.4
98.06742	1.2
100.07610	1.5
101.05996	23.3
102.03751	60.0
103.02135	3.2
103.05465	2.2
105.03365	4.0
105.07008	4.7
107.04951	1.6
107.08586	3.1
109.10152	1.9
112.07584	3.6
114.03717	1.3
115.05422	4.7
115.08671	22.5
117.07024	4.7
117.39001	1.4
119.08587	2.5
120.04793	6.2
122.64501	1.4
123.04341	2.6
128.06213	5.3
129.06967	11.6
131.04904	2.4
131.05302	1.5
131.06366	30.0
131.08549	5.2
132.04758	19.6
133.02832	3.1
133.06458	2.8
135.04407	2.4
137.05937	1.8
141.06950	2.0
142.06839	2.0
143.04918	2.5
143.08504	3.9
144.05756	1.3
145.06454	5.8
147.08040	2.6
149.07422	100.0
151.03894	3.9
152.06204	1.5
153.06973	3.3
154.08615	5.2
157.06447	8.1
159.08044	4.1
160.05161	3.5
160.07921	3.8
161.05965	4.1
161.09590	2.9
162.09161	3.9
165.06999	3.1
171.04451	1.7
171.07973	7.6
172.09697	1.8
173.05919	2.8
174.06752	2.9
175.07480	9.4
177.09013	1.8
181.06456	1.8
185.05984	2.7
185.09639	3.9
187.07437	3.3
189.05328	2.3
189.09178	1.5
199.07558	3.2
203.07030	16.6
203.10622	3.3
205.08624	1.9
210.31111	1.5
213.08968	2.1
221.09663	1.6
231.06497	1.5
231.09848	2.6
231.11761	3.3
233.16510	1.9
249.05408	4.0
249.08972	3.2
249.11052	6.1
249.12868	4.9
249.15094	3.2
249.20418	2.9
250.19136	2.8
267.06448	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	250.1435
Annotation	Peyophorine
Peak:m/z	Relative Intensity
50.87539	0.3
50.90209	0.4
55.05489	0.6
57.03441	1.5
59.22227	0.3
67.05484	0.7
69.03416	0.4
69.07056	0.7
69.40249	1.5
70.06565	0.5
70.31838	0.3
72.08147	2.1
79.05482	2.5
81.03394	1.4
81.07049	2.1
85.02881	0.4
91.05466	3.1
93.07024	2.4
95.04909	0.6
95.08572	0.4
98.98451	25.4
99.08089	0.3
105.03361	2.0
105.07021	4.9
106.06536	9.5
107.04926	2.6
107.08602	2.4
109.06474	0.6
110.06013	0.4
112.11259	0.3
115.05416	0.9
116.99492	0.5
117.07011	4.7
119.08559	3.6
121.06459	0.6
121.10151	1.2
124.07547	0.5
128.06192	1.4
129.06998	5.0
130.07361	1.0
131.04929	0.8
131.07465	0.4
131.08539	4.2
132.08960	0.5
133.06482	0.7
133.10094	0.9
134.05052	0.6
134.05995	8.3
135.04388	1.9
135.08011	0.8
136.06140	0.3
136.07576	0.4
141.06908	0.4
142.07736	0.4
143.08517	2.4
144.08058	0.3
144.09308	1.3
145.06456	2.9
145.10101	4.5
147.08022	0.5
147.11665	3.7
148.11153	0.9
149.09500	0.4
152.07040	8.6
153.06949	0.4
154.07704	0.5
157.06294	0.4
157.10123	0.9
158.06807	0.8
159.08011	1.0
159.11673	5.5
159.28818	0.4
161.09630	1.6
161.13231	0.4
162.09106	2.1
169.10052	1.5
171.08000	0.6
171.11687	0.7
173.05963	0.3
174.12744	0.6
174.99229	0.5
175.11211	0.9
176.10663	3.3
177.12668	1.0
187.11162	4.6
188.10677	1.8
202.18208	0.4
204.07382	0.5
204.13788	0.8
205.12202	1.0
206.11761	0.8
215.10672	1.8
220.29817	0.3
232.13278	3.3
233.11702	0.4
233.16394	0.9
235.06207	0.9
250.14348	100.0
251.07213	0.4
251.14644	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	250.1438
Annotation	Peyophorine
Peak:m/z	Relative Intensity
53.03934	1.3
53.16360	0.7
55.01867	5.6
55.05499	1.5
58.06595	3.5
67.05494	4.2
68.05013	2.4
69.03406	1.3
69.07044	1.2
69.10155	1.9
69.10583	2.5
69.33939	0.6
70.06580	7.3
71.04985	2.3
72.08147	44.7
79.05482	16.3
80.04984	0.7
80.09699	0.7
81.03411	1.3
81.07046	50.8
82.06570	1.2
83.04958	0.7
83.57137	0.7
84.08122	3.4
86.41092	0.6
91.05471	2.4
93.07016	4.2
94.06562	1.9
95.04939	2.8
95.07359	0.9
95.08597	1.4
96.08128	3.6
96.40035	0.7
97.02876	1.7
98.06036	1.1
98.98452	64.9
100.07598	0.7
105.03379	49.2
105.06978	1.3
106.06523	1.4
107.08584	1.9
108.08099	1.0
109.06505	25.1
109.10130	3.2
112.07584	1.1
112.11209	4.8
114.05492	3.1
116.99474	1.8
117.06921	1.3
118.06477	1.5
119.08586	2.0
120.08085	2.5
122.06017	14.1
130.07384	0.9
134.05981	4.5
134.09601	2.1
135.08026	1.7
135.11577	0.7
136.07553	1.6
140.07043	48.4
142.08620	4.5
148.07541	1.3
148.11064	1.5
153.04149	0.7
162.09117	46.1
163.09459	0.9
164.07033	2.1
168.06544	41.6
174.99187	1.6
176.10652	8.2
176.14378	1.1
179.11752	5.7
180.06546	4.1
180.10135	2.0
186.12827	0.7
193.13391	1.6
196.04588	0.6
204.13817	10.3
222.14844	2.3
232.13380	0.7
232.16826	1.4
233.16472	19.8
250.14354	100.0
250.19078	35.0
251.14574	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0524
Annotation	Diflunisal
Peak:m/z	Relative Intensity
55.01837	0.4
56.96556	0.4
60.23950	0.4
60.67860	0.5
64.88193	0.4
66.83112	0.4
69.84990	1.6
70.06550	0.7
72.08156	3.3
78.44801	0.5
78.70803	0.5
79.05476	0.5
89.26904	0.4
91.05500	0.6
93.07069	0.6
98.23377	0.6
98.98450	100.0
100.68605	0.4
105.03353	2.3
116.98665	0.9
116.99511	1.6
134.99660	0.8
137.06531	0.5
157.06552	0.6
162.09135	1.6
163.09438	0.6
174.99278	3.0
175.11104	0.5
219.11613	0.5
222.55362	0.5
233.16472	1.0
239.67947	0.5
250.14331	1.2
250.18970	1.1
251.05228	66.2
251.14450	1.8
251.19746	0.5
252.05560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0912
Annotation	(+)-Goniopypyrone
Peak:m/z	Relative Intensity
59.04992	0.5
67.05489	0.8
68.99773	0.7
69.07060	0.4
69.26753	0.8
69.27144	1.0
70.06596	0.4
72.08147	0.8
77.01571	0.6
79.05473	0.8
81.07044	1.1
91.05463	1.3
93.07041	1.1
95.04942	0.9
95.08572	1.0
98.98450	100.0
104.06312	0.4
105.03397	1.6
105.07062	0.6
106.03706	1.1
107.04955	0.8
107.08567	0.7
109.06509	0.5
115.05432	0.4
116.99486	2.9
121.06481	1.1
125.05952	5.1
132.05734	0.4
133.06461	0.8
140.01041	0.7
147.04366	1.7
148.05136	0.7
149.05946	1.1
151.03893	0.7
160.05142	0.8
160.70436	0.4
161.05974	1.1
162.06679	0.4
162.09041	0.6
163.07535	2.1
163.09451	0.7
164.08257	1.1
165.05394	0.3
173.13112	0.4
174.99194	2.9
175.03894	2.1
176.04643	0.8
177.05466	2.0
179.03392	1.6
179.07043	0.4
188.04774	0.6
189.05429	0.9
190.06221	2.1
191.06956	2.7
192.07762	1.7
193.04945	3.4
203.03392	1.3
207.06514	2.4
207.10097	0.6
208.07181	0.4
218.05696	19.0
219.06271	0.8
221.04416	26.9
222.04842	0.4
234.16907	0.5
235.06012	4.0
236.06744	7.4
250.19093	0.5
251.09097	99.6
252.09518	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0911
Annotation	citrinin
Peak:m/z	Relative Intensity
51.72269	0.2
53.03951	0.3
55.01859	0.5
56.13321	0.2
67.05485	0.3
69.03438	0.2
69.46316	0.7
69.46741	0.4
71.04981	0.4
72.08156	0.2
77.03926	0.2
79.05476	0.8
81.07038	0.8
83.04980	0.2
91.05475	2.2
93.07039	0.6
95.04959	0.4
95.08613	0.5
98.98453	42.5
103.05499	0.2
105.03378	0.9
105.07014	0.9
107.04948	1.0
107.08566	0.4
109.06503	0.8
109.10130	0.6
109.22171	0.2
110.65575	0.2
111.04434	0.4
115.05417	0.8
116.06283	0.2
116.99468	1.2
117.03332	0.3
117.06983	2.5
119.04917	0.6
119.08559	1.0
121.06480	1.4
121.10109	0.3
122.03600	0.3
128.06223	0.3
129.07048	0.4
131.04955	0.5
133.06445	0.4
134.07257	0.6
135.04407	0.8
135.08054	0.6
137.05984	1.4
139.03773	0.2
144.05675	0.3
145.02797	0.7
145.06477	1.9
146.94473	0.2
147.04359	0.8
147.08002	0.3
149.05931	0.4
149.09560	1.3
150.03093	0.8
151.07460	0.3
153.05457	0.5
159.08081	0.2
160.05220	0.3
161.06000	0.6
162.06731	1.0
163.03914	0.3
163.07510	1.2
165.05455	28.8
166.05791	0.5
173.05956	2.3
174.99249	1.3
175.00546	0.2
175.03931	1.2
175.07462	1.2
177.05446	2.0
177.09058	1.9
187.07506	0.6
189.05478	0.3
190.06213	4.2
191.06969	1.0
193.08606	0.2
194.48116	0.2
203.07025	0.3
205.08569	100.0
206.08954	2.4
207.06480	0.4
219.06432	1.0
223.09604	6.4
233.15201	0.3
250.10405	0.2
251.09102	21.5
251.19815	0.3
252.09317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2001
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.71397	0.7
53.03940	1.1
55.01863	1.0
55.05502	8.0
57.03438	0.8
57.07062	2.3
65.03933	2.8
67.05495	100.0
67.17973	0.6
67.79278	0.6
68.05824	0.9
69.07058	8.6
71.04978	1.8
72.08146	1.8
77.03905	0.7
79.05479	18.8
79.05939	1.0
81.07046	93.5
83.04956	2.1
83.08604	3.8
85.02834	0.6
85.06529	2.7
91.05469	5.4
93.06437	1.3
93.07029	23.7
95.04961	2.9
95.08591	72.1
97.06516	1.8
97.10162	2.3
98.98450	60.0
105.03365	1.3
105.07034	4.3
106.03695	1.1
107.08580	16.9
107.88331	0.6
109.06518	1.7
109.10138	44.9
110.10519	0.9
110.93998	0.6
111.08086	1.5
116.99503	1.2
117.06987	2.2
119.08580	4.4
121.06418	0.8
121.10130	16.2
123.08107	1.3
123.11689	23.7
125.09632	0.8
127.07537	0.7
131.08563	6.0
133.10109	5.0
135.08032	2.1
135.11671	12.5
137.09593	1.4
137.13217	7.9
139.11169	0.7
145.10095	4.2
147.11655	1.5
149.09612	5.1
149.13229	6.7
151.11221	1.5
151.14783	1.3
153.09084	1.5
159.11673	5.7
162.09042	0.7
163.09808	0.9
163.11168	5.3
167.10646	2.2
169.12167	0.9
173.13235	2.4
174.99144	1.8
177.12694	3.6
181.12216	4.5
187.14819	0.7
189.16347	1.0
191.14328	1.2
191.17906	3.8
195.13791	4.9
205.19513	1.7
209.15335	1.7
215.17914	6.8
233.18941	8.0
234.16808	0.7
251.10245	1.1
251.20026	43.0
252.20352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2003
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.03944	0.8
55.01839	0.5
55.05289	0.5
55.05507	5.3
57.07049	0.5
65.03922	1.1
67.05497	26.6
69.03407	0.7
69.07063	5.4
71.04981	0.8
73.28631	0.5
77.03877	0.5
79.05481	10.7
81.07047	25.3
83.04977	1.2
83.08614	6.8
85.06527	1.1
89.05841	0.5
91.05470	5.8
93.07036	12.0
95.04956	1.6
95.08595	22.2
97.06523	4.5
97.10162	2.3
98.98453	100.0
99.08111	0.8
105.07034	3.4
107.08582	7.9
109.06480	0.5
109.10144	10.8
111.08054	3.0
113.09624	0.5
116.99481	2.3
119.08568	3.2
121.10129	12.0
123.08038	0.8
123.11717	3.5
124.12035	0.5
125.09624	1.4
131.08510	1.1
133.10091	6.5
135.08028	0.7
135.11670	7.2
137.09595	1.8
137.13252	1.1
139.11147	1.1
140.01056	0.7
145.10078	2.5
147.11659	1.9
149.13237	2.0
151.11203	1.9
155.67047	0.6
157.04883	0.5
159.11681	1.9
163.11153	0.6
165.12822	0.6
173.13260	1.5
174.99179	2.7
177.12743	0.6
195.13802	0.5
215.17912	5.1
219.78078	0.5
230.54211	0.4
233.18950	3.4
251.10309	1.0
251.17918	0.8
251.20071	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	252.109
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
53.03933	0.2
56.96553	0.8
57.03433	0.5
63.61861	0.2
69.03410	0.6
69.07135	0.2
69.15195	0.2
69.73923	0.4
70.06586	0.5
71.04980	1.0
72.08138	0.2
73.02913	1.2
77.43538	0.2
81.03400	0.4
82.61610	0.1
83.97348	0.2
84.08105	0.2
87.04466	0.2
94.04051	0.5
98.98459	17.7
99.04449	1.6
100.98933	0.2
110.60545	0.2
116.98660	0.2
116.99482	0.6
117.05480	3.1
118.41809	0.2
119.03541	1.1
122.05991	0.2
124.03838	0.2
129.02225	0.3
134.05997	0.2
134.08287	0.2
136.06169	100.0
137.04541	0.7
137.05518	0.2
137.06532	0.7
147.03148	0.2
162.29478	0.2
173.01175	0.2
174.99208	0.2
187.54726	0.2
187.95471	0.2
191.02242	0.6
202.10709	0.2
252.05078	0.2
252.10799	1.6
253.11838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	100.0
58.88736	0.6
62.91388	0.5
67.05489	1.1
69.37534	3.0
71.95256	5.3
72.96036	4.3
74.97612	1.1
77.13102	0.6
78.79231	0.5
81.07036	0.8
84.95992	0.8
92.98611	1.2
95.08643	0.8
95.58575	0.5
97.96812	2.3
98.98450	61.4
99.86592	0.8
100.98856	0.9
105.00153	2.8
110.97513	4.2
114.33559	0.6
115.97839	1.4
116.99500	1.6
119.01677	2.7
119.08558	0.6
123.01183	2.9
128.98584	4.4
137.02710	6.7
141.02228	0.8
146.99585	3.1
151.04277	2.7
155.03775	3.5
165.05838	0.9
166.77895	0.6
167.03827	1.1
169.05356	3.0
174.99214	0.6
176.03592	0.6
177.05867	1.3
179.07405	1.7
183.06923	0.9
195.06863	2.1
197.08478	2.9
199.06458	1.1
207.10516	1.0
211.06453	0.8
212.87114	0.7
213.07838	0.8
217.07312	1.0
223.09952	5.8
223.11728	0.8
225.11612	1.2
235.09959	7.9
241.11069	66.4
242.11250	0.8
253.11072	92.6
254.11458	1.1
255.38861	0.6
259.12134	65.8
260.12396	1.6
264.12683	2.8
271.12122	93.2
272.12445	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05494	1.4
56.96560	1.1
57.03415	0.8
57.07060	0.5
59.00748	0.5
60.87313	0.4
61.02916	1.0
63.55094	0.4
69.03416	2.6
71.09225	0.4
73.02918	0.5
73.06542	5.4
77.90453	0.4
81.03407	0.7
81.07022	0.5
85.02894	10.7
85.03403	0.6
89.15710	0.4
91.03915	0.8
95.08587	0.5
97.02883	2.8
98.98449	100.0
99.04422	0.7
100.98881	1.6
109.02850	1.4
110.07124	0.6
116.98727	0.6
116.99452	2.4
120.08089	3.1
125.07086	0.9
127.03887	1.7
141.05435	0.7
145.03912	0.4
145.04880	2.3
166.02800	0.5
173.01274	1.0
174.99207	1.1
176.98903	1.7
191.02188	1.1
195.11308	2.0
197.11676	1.0
213.27101	0.4
253.11856	0.9
254.16153	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.5
56.96556	7.4
57.03426	1.1
57.07057	0.9
57.50934	0.8
59.25733	0.7
61.02909	1.0
61.18392	0.7
61.28484	0.8
69.03403	2.9
69.19701	4.8
70.06578	3.8
72.50861	0.8
73.06550	4.6
79.95695	0.8
81.03423	2.0
85.02892	16.9
86.06073	1.0
87.04455	2.3
97.02868	3.4
98.98454	100.0
99.04424	0.9
100.98877	1.1
104.04972	1.0
105.03388	0.8
110.07165	1.0
110.35146	0.8
110.97570	2.1
116.98605	2.1
116.99481	3.4
120.08089	18.5
127.03901	3.5
128.98595	1.1
129.02216	2.1
129.03925	1.3
130.93240	0.9
131.05527	3.6
132.04405	1.2
133.02737	0.9
134.99596	1.2
136.07527	1.1
145.04924	3.6
147.03262	2.3
149.06581	3.0
150.05443	1.0
154.90753	1.1
166.09766	1.3
173.01201	5.2
173.02469	0.9
174.97635	1.1
174.99231	1.5
175.04494	1.1
191.02228	5.5
194.09218	3.0
195.11267	3.4
196.54680	0.8
197.11665	1.1
201.09842	1.0
216.98640	1.4
227.07730	1.4
228.98788	1.3
235.10698	1.2
253.01480	1.0
253.11790	7.7
254.13771	1.1
254.16328	1.6
270.97879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
57.07068	0.8
61.35169	0.4
67.05494	1.6
69.03409	0.8
69.07063	3.2
71.04995	0.5
74.14461	0.4
79.05457	0.6
81.07047	3.3
83.04962	1.3
83.08624	0.6
85.06522	0.7
91.05457	0.6
92.09134	0.4
93.07039	1.3
95.04996	0.5
95.08611	2.5
98.98456	100.0
100.98886	1.5
105.07021	2.1
107.08590	1.5
109.06493	0.6
109.10122	1.5
110.07143	0.7
111.11703	1.1
116.99505	2.9
119.08572	0.9
121.10090	1.1
123.08013	0.9
123.11689	0.5
129.05452	1.1
133.10080	1.4
135.11746	0.7
137.05954	0.7
137.09590	0.8
137.13225	0.9
147.11624	0.5
149.09694	0.4
161.09636	0.7
161.13260	3.2
165.06993	0.9
169.08554	0.5
174.99263	2.0
175.00543	0.5
176.98911	1.3
179.10548	0.5
179.14403	0.6
182.07225	0.7
189.16415	0.7
193.06493	0.7
197.11690	0.7
210.06615	0.6
211.13181	0.7
217.15683	0.6
225.05429	0.5
225.09177	0.6
235.16898	1.5
238.06232	0.5
253.08823	3.1
253.14088	87.0
254.14455	1.5
274.87427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2158
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03922	0.8
55.01860	1.1
55.05503	21.3
55.06096	0.7
57.03421	0.7
57.07066	5.4
65.03907	0.8
67.05492	23.0
69.03412	1.5
69.07056	31.5
69.46918	2.7
70.90678	0.7
71.04974	3.2
71.08623	1.4
77.12208	0.6
79.05475	10.4
81.07043	30.9
83.04964	2.2
83.08604	18.3
85.06536	2.6
85.10155	1.3
91.05451	9.5
91.49997	0.8
93.07031	12.4
95.04965	1.8
95.08591	28.0
97.06536	4.8
97.10157	14.9
98.23430	1.3
98.98448	100.0
99.08081	2.4
100.98876	1.0
105.07023	7.9
107.08566	8.5
109.06533	1.0
109.10148	12.3
111.08047	2.7
111.11688	5.9
113.09605	1.1
116.99462	3.3
119.08563	7.7
121.10123	13.1
122.05820	0.7
123.08061	2.5
123.11679	5.6
125.09612	2.4
125.13203	1.3
133.10107	8.5
135.11684	11.5
137.09602	2.9
137.13226	3.1
139.11127	3.5
147.11655	6.9
149.13228	2.9
151.11168	2.5
151.14818	1.9
153.12703	1.8
155.10626	0.9
161.13257	4.7
165.12758	2.6
174.99179	1.8
175.14793	2.4
176.88493	0.8
176.98854	1.4
179.14304	1.6
189.16408	0.9
191.17824	1.6
193.19447	2.5
217.19479	11.0
235.16963	0.9
235.20511	9.8
239.66512	0.8
253.11992	1.8
253.21626	10.6
255.94730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
61.02927	10.9
69.03397	5.7
70.06586	4.4
70.46526	5.0
71.01328	10.1
73.02906	4.0
75.04475	20.9
81.03409	2.4
87.04453	5.7
89.02408	4.1
98.98454	32.0
103.03938	26.6
123.04417	4.1
131.03389	5.2
152.35490	1.9
159.02873	52.4
187.02364	4.5
195.06516	7.8
195.11278	11.0
219.04971	100.0
222.11168	3.0
236.12750	2.5
254.13818	16.3
254.16165	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	254.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	10.5
69.25555	11.9
70.06587	6.7
71.01355	8.4
73.02915	9.6
75.04473	18.3
84.09631	2.5
87.04465	5.4
98.06038	3.1
98.98454	36.8
99.19614	2.2
103.03934	24.4
123.04405	6.6
125.07101	2.8
131.03444	6.7
159.02873	71.8
159.04182	3.7
167.11841	2.6
194.38693	2.9
195.06575	13.4
195.11290	13.3
219.04970	100.0
222.11244	4.3
254.10254	4.0
254.13878	19.7
254.16142	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	254.1173
Annotation	Proguanil
Peak:m/z	Relative Intensity
55.05489	0.4
69.56166	0.1
78.91105	0.2
81.07043	0.3
87.84032	0.2
96.59667	0.2
98.20016	0.2
98.98445	1.3
104.71732	0.2
105.07005	0.3
108.57217	0.2
115.05473	0.2
127.18333	0.2
148.03888	0.4
150.43434	0.2
157.06432	0.2
158.07268	0.8
162.05482	0.2
174.05386	0.3
184.07509	0.5
185.06018	0.2
196.07526	0.2
199.06189	0.2
200.07022	1.5
211.09724	0.2
212.07030	15.0
213.07776	2.9
222.06773	0.3
223.06181	0.3
224.07031	19.3
225.07516	0.7
226.08652	0.4
237.08995	0.2
238.08589	13.4
239.09317	2.6
254.11719	100.0
255.12045	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	254.1245
Annotation	Penciclovir
Peak:m/z	Relative Intensity
51.97013	0.4
57.07048	0.4
61.02916	0.6
66.17375	0.5
67.05492	0.9
69.07057	26.9
69.33639	1.9
71.01340	0.8
71.04966	1.4
75.04459	1.3
76.23897	0.4
80.02480	0.4
82.04047	0.6
87.04477	0.5
87.08108	1.0
89.73176	0.4
97.08864	0.4
98.03519	1.0
98.98477	3.0
101.49670	0.4
103.03926	1.7
109.05052	0.4
110.03524	2.9
112.11807	0.5
120.08077	0.7
123.18347	0.4
125.04585	6.0
135.02998	1.5
137.04567	5.9
140.05664	1.5
150.04111	1.1
151.02478	6.1
152.00800	0.5
152.05618	2.8
159.02827	3.1
165.70370	0.4
168.05141	48.0
169.05521	0.8
180.05132	40.6
181.05573	0.7
190.12247	0.7
208.13345	1.4
219.04973	6.9
236.11348	8.3
254.12433	100.0
255.12624	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1384
Annotation	Tuberostemospironine
Peak:m/z	Relative Intensity
56.96553	8.4
68.05019	0.7
70.06578	100.0
71.04991	0.5
71.06917	0.6
71.44009	0.4
72.08160	0.5
79.05475	0.3
95.04935	0.4
98.06037	0.4
98.97535	0.3
98.97781	0.4
98.98444	6.3
99.04443	1.0
100.98846	0.3
105.03373	1.3
107.04931	1.1
110.06021	0.3
110.07173	0.2
116.98630	0.3
120.08007	0.3
123.05494	0.5
125.07080	0.7
127.00669	0.9
129.02216	3.9
129.03911	0.4
131.05510	2.4
135.04376	0.8
137.72169	0.3
145.01666	0.4
145.03412	0.3
147.03261	4.7
149.06583	2.6
155.00148	0.9
157.03468	0.4
165.04327	1.0
167.07018	0.5
167.11748	0.6
173.01193	10.3
175.02701	0.2
175.04520	1.5
183.08669	0.5
185.10196	0.9
185.83798	0.3
191.02238	14.1
192.09953	0.3
194.12962	0.3
195.11269	3.0
196.02821	0.3
203.11218	1.3
209.03297	0.4
211.08089	0.7
214.03831	0.2
227.07703	0.3
229.09209	0.6
236.12866	0.3
254.13808	29.1
254.15979	2.0
255.07411	1.2
255.14140	0.9
270.75085	0.3
273.08105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.161
Annotation	CI 4
Peak:m/z	Relative Intensity
55.01860	0.3
55.13908	0.3
56.96548	0.8
60.05625	0.4
68.05012	0.2
69.56255	0.5
69.56641	0.5
70.06583	18.1
72.08160	0.3
73.02890	0.3
80.05016	0.4
81.03402	0.4
82.06583	0.4
83.04920	0.3
87.04443	0.3
87.06421	0.2
88.07643	0.4
97.07645	1.8
98.06043	14.7
98.22707	0.3
98.97560	0.9
98.98460	4.8
99.06824	0.5
100.27467	0.3
100.98923	0.3
106.02901	0.3
110.07134	0.3
112.08704	0.8
116.98586	0.7
120.08062	0.6
121.08415	0.5
122.09669	2.2
123.05539	2.1
125.07103	16.6
128.98705	0.3
131.05510	0.3
134.99634	0.5
148.03748	0.3
149.06564	0.5
150.09155	0.3
153.06610	0.7
154.07355	0.8
159.02887	0.3
166.02850	1.1
166.13358	1.1
167.11780	19.8
168.04411	0.8
168.12067	0.6
179.00713	0.4
180.05154	0.4
184.03976	0.4
185.10265	0.4
193.09673	0.7
194.12886	8.8
195.11267	100.0
196.11607	1.5
212.03436	0.3
212.13831	1.0
220.10797	0.6
230.04533	0.4
237.13406	4.2
242.54103	0.4
254.16092	68.5
255.16423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81884	1.1
55.01874	2.7
57.03422	4.5
69.03438	1.8
69.88145	4.0
73.02898	4.3
80.05003	3.6
84.84278	1.7
85.02882	2.7
96.04464	1.3
97.02880	3.1
98.98452	51.0
100.98872	2.7
106.02867	6.6
109.80070	1.3
110.07146	3.0
115.03935	2.5
119.01781	1.5
123.05537	100.0
124.03954	3.8
133.04919	4.0
210.90485	1.4
212.86465	1.5
229.87344	1.5
255.06201	2.9
255.09842	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	255.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53597	0.7
53.56298	0.7
55.01860	3.1
56.96553	11.7
57.03410	2.6
58.99862	2.8
68.16367	0.7
69.03410	1.5
70.01569	1.7
70.06583	1.3
71.01344	0.9
71.04984	14.3
71.60768	0.7
73.02883	1.2
77.00919	1.5
78.03434	0.8
79.05473	1.0
80.04990	2.1
81.03398	1.7
81.07048	1.1
84.08144	1.3
85.01394	3.4
85.02878	1.7
91.05469	2.2
93.03397	1.6
95.03492	1.0
95.04930	0.9
96.04465	1.0
97.02881	0.8
98.97585	3.5
98.98454	10.0
99.03794	1.5
99.04442	29.8
103.02422	5.6
105.18411	0.7
106.02903	4.5
109.02879	2.1
111.02927	1.4
113.04465	11.0
115.55069	0.8
116.98606	1.0
119.04890	1.4
121.02813	1.2
123.05530	67.7
126.72241	0.8
127.00675	0.8
129.02261	5.9
129.03952	18.0
130.04099	0.8
131.05521	100.0
132.05632	2.8
132.71227	0.8
133.04976	2.0
135.04384	1.1
137.05914	0.9
139.02425	2.6
141.03836	1.0
145.01714	0.9
147.03329	5.1
147.05084	9.8
149.02377	2.1
149.06572	77.5
150.06784	1.9
155.00128	1.8
157.03441	20.6
159.05008	2.5
163.03923	1.9
165.05478	2.1
170.24101	0.8
173.01199	13.0
173.02654	1.1
173.06555	2.2
174.97577	1.6
175.04503	46.5
176.04755	1.1
179.03365	1.7
183.08643	10.9
185.10201	36.8
186.10364	1.3
191.02159	12.2
193.05540	5.9
196.11612	0.8
201.09676	12.2
203.11255	46.3
204.11444	1.2
209.04648	1.2
209.06577	2.7
211.08115	22.9
212.08203	1.1
219.02711	0.8
226.12810	1.1
227.00633	1.0
227.07564	10.9
229.09169	37.9
230.09399	1.1
237.03879	1.7
237.06087	3.8
245.08638	1.4
247.10234	2.8
255.07106	53.4
255.16946	2.0
256.07419	1.9
273.01465	4.6
273.08148	44.0
274.08441	1.9
278.96094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.3
56.96556	10.7
57.03416	2.4
58.99857	3.3
69.03430	1.5
70.81512	0.8
71.01345	1.1
71.04979	15.4
71.16841	0.8
72.52133	0.8
73.02887	1.9
77.00896	1.6
78.03419	1.3
80.05001	3.2
81.03391	1.1
81.15811	0.8
85.01396	3.8
85.02905	1.3
86.09698	3.7
93.86845	0.9
95.03449	0.9
96.04457	0.9
97.02863	1.3
98.97578	3.6
98.98460	7.6
99.04440	27.6
103.02429	6.3
106.02888	6.3
110.97565	1.0
111.02927	3.6
113.04471	10.3
115.02388	0.8
116.98590	1.8
119.01906	2.4
121.03475	1.7
123.05534	80.3
129.02336	5.9
129.03955	19.8
131.05522	100.0
132.05634	2.7
133.03423	1.0
133.05040	1.3
134.99657	1.0
139.02388	2.8
147.03253	3.8
147.05008	10.9
149.02322	1.3
149.06573	77.9
150.06725	2.7
151.06372	1.1
155.00102	1.9
157.03435	26.2
157.04669	1.7
159.04985	2.2
173.01204	12.0
173.06561	2.7
175.04497	53.6
176.04659	1.4
177.06055	1.5
183.08638	12.6
185.10196	40.6
186.09804	1.5
191.02202	12.4
191.03613	1.1
193.05484	6.5
201.09695	13.0
203.11253	48.3
204.11447	2.0
209.06596	2.6
211.06186	1.5
211.08122	23.7
211.94228	0.8
212.08174	1.4
212.58369	0.9
214.09192	2.4
227.07599	9.5
229.09177	39.9
230.09518	1.9
232.10269	5.9
237.05995	4.4
245.08655	2.3
247.10213	3.7
255.07108	64.7
256.07303	2.5
273.01282	3.2
273.08142	48.6
274.08328	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71769	0.3
51.02356	0.4
53.03942	1.4
55.01861	0.8
55.05508	1.9
57.07076	0.3
59.51252	0.3
65.03940	1.7
67.05489	1.8
68.02637	6.3
69.03435	0.9
69.07063	1.3
71.04987	8.2
79.05491	0.9
79.52713	0.3
81.03403	1.8
81.07042	2.4
81.35632	0.3
83.04970	18.1
85.06531	0.7
91.05482	1.0
93.07024	1.1
95.04967	0.6
95.08592	1.7
95.43166	0.3
96.99903	0.3
97.02874	0.4
97.06538	0.5
98.98454	9.8
99.04443	30.5
100.98874	0.3
105.07024	1.1
107.08575	0.6
109.10149	1.0
111.04427	100.0
112.04754	1.3
115.06989	0.4
119.08563	0.7
121.10149	0.9
123.11650	0.5
131.04926	0.6
133.10104	0.8
135.11655	0.9
140.48659	0.3
145.10098	0.5
149.09637	0.4
151.11157	0.4
153.06976	0.4
157.04941	80.9
158.05261	1.6
167.08528	0.8
176.98857	0.4
181.06470	0.4
195.08041	0.9
197.13254	0.4
201.12677	0.3
219.13792	0.6
223.07547	0.5
227.07104	0.6
227.10655	0.5
237.07382	0.7
255.06396	0.5
255.08440	8.6
255.14035	0.3
255.17284	1.0
255.20941	0.6
276.07550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30974	0.5
55.01861	2.5
56.96551	1.2
57.03432	3.5
59.22532	0.4
61.02913	1.3
66.91795	0.5
69.03439	2.5
70.06573	0.6
71.01340	0.6
71.40826	0.4
73.02913	2.9
76.78171	0.5
78.03445	1.1
80.05013	2.9
85.02894	3.0
87.04447	1.0
92.06367	0.5
96.04482	0.8
97.02891	2.3
98.97558	0.8
98.97669	0.8
98.98460	15.2
100.98876	0.7
106.02909	6.8
109.02839	0.5
110.07141	3.3
115.03912	1.7
119.01847	0.8
121.08421	0.5
122.73544	0.5
123.05540	100.0
124.03916	2.7
124.05861	1.0
133.04948	2.4
156.97472	0.8
158.99673	0.4
167.02849	1.0
173.03134	0.5
176.03378	1.0
181.01448	0.6
181.06512	0.8
182.03349	1.2
192.06500	0.5
227.07092	0.7
238.06993	0.7
254.54488	0.6
255.06441	0.8
255.09769	2.3
255.13470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30974	0.5
55.01861	2.5
56.96551	1.2
57.03432	3.5
59.22532	0.4
61.02913	1.3
66.91795	0.5
69.03439	2.5
70.06573	0.6
71.01340	0.6
71.40826	0.4
73.02913	2.9
76.78171	0.5
78.03445	1.1
80.05013	2.9
85.02894	3.0
87.04447	1.0
92.06367	0.5
96.04482	0.8
97.02891	2.3
98.97558	0.8
98.97669	0.8
98.98460	15.2
100.98876	0.7
106.02909	6.8
109.02839	0.5
110.07141	3.3
115.03912	1.7
119.01847	0.8
121.08421	0.5
122.73544	0.5
123.05540	100.0
124.03916	2.7
124.05861	1.0
133.04948	2.4
156.97472	0.8
158.99673	0.4
167.02849	1.0
173.03134	0.5
176.03378	1.0
181.01448	0.6
181.06512	0.8
182.03349	1.2
192.06500	0.5
227.07092	0.7
238.06993	0.7
254.54488	0.6
255.06441	0.8
255.09769	2.3
255.13470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
53.83367	1.1
55.01859	4.4
57.03428	15.4
57.87938	1.1
60.87593	1.0
65.03962	1.2
66.83618	1.1
67.05480	1.5
68.99851	1.2
69.52474	2.4
69.52870	2.2
73.21731	1.1
75.04472	7.3
77.03941	1.2
79.05472	3.1
81.07057	1.6
90.72883	1.0
91.05464	17.1
91.67194	0.9
93.07042	4.2
93.29875	1.1
95.04961	2.9
98.17453	1.1
98.98450	23.1
100.98883	1.3
103.05454	45.2
105.03384	2.0
105.04479	1.2
105.07014	2.4
107.04948	2.2
109.06509	3.1
110.03642	16.1
111.04466	1.4
119.04922	17.4
120.05703	3.2
121.06504	9.7
122.03566	2.4
123.04411	36.0
123.08012	1.4
124.05200	7.4
131.04910	100.0
132.05223	1.3
133.06497	1.4
135.04411	3.3
135.08044	4.0
137.04926	2.2
137.05956	33.9
138.06744	27.3
147.04396	4.8
148.05159	1.7
149.05952	4.2
150.06770	1.1
151.07532	9.5
163.07521	33.1
165.05461	1.5
166.06232	31.6
170.05710	1.2
175.07536	2.9
176.04622	2.1
179.07007	4.0
181.04973	1.5
181.08569	23.2
182.05702	3.3
183.06502	1.9
189.83821	1.2
197.08095	3.7
204.04193	2.0
219.10150	2.0
229.01677	1.3
237.07552	19.1
237.11198	1.3
255.12227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05500	1.7
61.72286	0.6
67.05479	2.1
69.07047	2.1
74.67096	0.7
79.05466	1.8
81.07030	3.2
83.04962	2.0
83.08608	1.4
85.06562	0.9
91.05461	1.8
93.07031	2.7
95.04939	0.8
95.08587	3.3
98.98445	21.7
100.98885	1.5
102.80065	0.8
105.06992	2.2
107.08558	2.1
109.10113	2.2
117.06942	0.9
118.84055	0.7
119.08592	1.0
121.10112	1.7
123.08086	0.9
133.10170	1.2
135.11638	1.7
137.09576	1.1
145.10080	1.1
149.09618	0.7
157.10086	1.0
159.11729	0.8
171.11644	0.9
183.11549	0.9
197.13109	1.2
237.18387	1.2
255.15608	100.0
256.16000	0.9
273.15540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01857	5.2
55.05502	27.0
56.05033	2.3
57.03429	54.7
57.07066	12.5
58.06582	3.3
65.03911	3.1
67.05493	89.6
69.03411	2.9
69.07055	25.3
70.06577	9.3
71.01330	6.4
71.04980	11.4
71.08607	3.8
71.44524	1.9
74.83524	1.8
78.76088	2.3
79.05475	81.4
81.03395	11.4
81.07043	41.1
83.04969	20.2
83.08597	8.5
85.06519	6.7
86.06060	5.5
88.07598	10.2
91.05466	31.5
93.06436	4.8
93.07026	90.5
95.04969	12.6
95.08584	15.3
97.06520	22.5
97.10150	18.9
98.98448	45.7
99.08086	3.3
100.07594	7.7
102.09159	9.0
105.04482	4.2
105.07013	7.5
107.08578	52.2
109.10146	10.0
111.08080	3.3
117.07001	7.6
119.08548	11.3
121.06477	5.3
121.10136	13.6
125.09607	3.9
133.10095	8.1
135.07996	2.4
135.11668	100.0
136.79816	1.8
137.09558	2.8
143.65530	2.4
145.10114	15.0
149.53996	2.2
151.11243	2.0
153.12762	2.2
163.11209	11.8
181.12186	17.3
229.58589	2.2
242.41039	2.1
254.24692	21.0
255.15804	51.8
255.25014	17.8
256.26288	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1952
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
53.03919	1.9
55.01845	2.7
55.05503	57.1
57.03429	34.7
57.07072	7.8
59.04973	5.1
60.08140	1.3
65.41605	1.1
67.05495	23.3
69.07059	65.1
69.77087	3.3
71.04967	5.2
71.08628	5.6
73.06519	2.2
79.05480	18.6
81.07046	55.7
83.04947	2.9
83.08606	38.3
85.06534	4.5
91.05457	4.6
93.07027	17.5
95.04941	1.4
95.08592	38.2
97.06524	7.8
97.10156	20.7
98.22779	1.1
98.98451	11.5
99.08073	2.7
101.06013	1.4
105.07016	2.2
107.08582	27.4
109.10152	6.7
111.08046	4.9
111.11699	2.3
112.85516	1.3
114.12825	1.3
116.45970	1.1
119.65052	1.1
121.10125	19.3
123.11684	3.9
125.09638	5.6
133.10158	1.1
135.11678	5.8
139.11131	1.5
163.14810	16.2
181.15804	3.0
202.55995	1.2
209.11661	2.4
255.19502	100.0
256.19846	2.6
256.26340	1.6
256.30002	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	255.1955
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
53.03933	2.6
55.01862	1.9
55.05509	60.9
57.03437	33.2
57.07077	11.4
59.04991	2.8
60.08149	1.0
67.05157	1.5
67.05504	23.2
68.03909	0.9
69.07066	63.8
71.04980	3.8
71.08611	4.1
71.43629	0.9
73.06532	1.9
79.05042	1.2
79.05488	17.4
80.05818	0.9
81.07053	55.9
83.04967	2.6
83.08615	41.5
85.06531	4.9
85.10169	1.2
91.05470	5.2
93.07043	20.7
95.04944	1.8
95.08601	35.2
95.09212	1.9
96.08922	1.1
97.06532	8.4
97.10169	21.6
98.98456	8.7
99.08086	3.1
101.06015	1.1
103.46961	1.0
105.07023	1.4
107.08589	29.6
109.10159	6.3
111.08064	6.6
119.08549	1.1
121.10136	23.9
123.11710	4.7
125.09620	6.0
135.11684	6.0
159.56110	0.9
161.06998	0.9
163.14816	17.8
169.97675	1.0
181.15823	2.7
209.11687	1.7
255.19537	100.0
256.19910	2.5
256.29959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98641	0.3
56.60392	0.2
56.96557	15.6
57.97327	0.3
69.92522	0.8
71.95256	0.9
87.82102	0.3
98.45634	0.3
98.97567	100.0
99.97911	0.5
107.82128	0.3
116.98604	49.9
117.98985	0.4
124.42766	0.3
130.93262	1.9
134.99635	13.3
137.00058	0.3
140.00223	0.5
148.94301	0.3
153.00711	0.7
154.93266	0.3
172.94327	4.9
190.95361	4.1
208.96402	1.3
209.39375	0.3
214.95316	1.8
230.98503	0.3
232.96434	5.5
250.97537	2.4
251.49297	0.3
256.96390	7.9
274.97464	46.8
275.97864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1282
Annotation	Albonoursin
Peak:m/z	Relative Intensity
56.96560	9.0
65.03928	5.4
65.80396	1.2
67.05486	3.6
70.10037	2.4
70.10387	1.8
70.60765	1.2
76.19949	1.4
79.05495	1.6
81.07044	3.6
91.05452	3.5
92.04982	7.5
93.07077	1.6
94.06571	2.7
94.12074	1.4
95.08600	3.0
98.97569	45.2
105.04468	1.4
105.07017	1.8
116.98608	33.1
117.07016	2.1
119.08595	1.5
120.04456	2.7
122.06036	2.6
129.07002	3.6
131.08568	2.6
132.08023	1.6
134.99632	23.0
135.71556	1.2
136.07555	1.6
140.00206	2.0
143.08531	2.6
144.08127	1.9
145.08948	2.1
145.10109	4.1
153.00662	2.1
154.06535	2.0
157.08888	1.7
158.01204	1.4
159.11749	2.1
168.06808	1.7
168.08061	3.6
169.08855	6.9
169.10101	2.1
170.09660	3.3
171.09125	2.4
171.10429	2.1
172.07532	2.5
172.09927	4.4
172.94263	1.4
173.07059	2.4
173.13237	1.7
182.06010	1.5
183.06810	2.2
183.09088	2.6
184.07576	5.8
184.11188	7.5
185.07091	3.4
185.10732	5.4
186.05359	1.4
186.11432	9.3
187.08609	1.9
190.95325	3.6
196.07626	2.6
197.08342	8.8
199.08556	7.5
200.09406	18.1
200.13121	1.5
201.10141	4.0
201.13837	12.4
211.08682	2.8
211.12318	1.7
212.10683	16.2
213.06519	14.5
213.10124	11.0
214.07370	2.5
214.10829	9.6
224.09428	1.6
227.08127	11.2
228.08858	30.0
229.09760	27.4
229.13313	49.6
232.96500	2.0
239.11798	4.2
240.10172	5.3
241.09683	22.2
242.10466	43.4
243.10864	1.6
250.97398	1.9
256.26346	1.9
256.96512	4.0
257.12836	100.0
257.18631	3.3
257.22592	1.8
257.26453	1.3
258.10907	1.7
258.13339	2.0
274.97488	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62905	1.6
53.15400	1.5
55.05493	6.6
55.83858	1.4
56.96551	10.1
57.07069	2.0
65.03922	3.9
67.05492	5.5
69.03425	16.3
69.07038	1.5
69.11156	8.8
70.06619	1.4
79.05499	4.1
81.07052	4.7
91.05480	2.3
92.05008	9.3
94.06562	3.0
95.04948	3.3
95.08585	3.8
97.02882	21.0
97.10146	3.4
98.23396	4.1
98.97569	45.9
105.07003	2.9
107.08508	2.4
108.08077	2.6
109.10075	2.0
115.03939	14.3
116.98610	37.6
117.07008	2.9
119.08586	2.7
120.04459	4.6
122.06023	4.0
130.22966	1.7
131.08543	3.9
133.10162	1.4
134.99631	25.2
136.07603	1.9
143.08534	3.5
144.08171	1.5
145.08980	3.0
145.10115	5.9
153.00726	2.5
154.06435	2.0
155.06064	2.2
156.08127	1.7
157.10162	2.9
158.09586	1.8
159.09129	2.2
159.11656	3.2
160.07526	3.5
168.08040	4.1
169.08827	6.3
169.10071	3.2
171.09149	2.5
171.11699	2.7
172.07518	1.8
172.09949	2.2
172.94273	1.7
173.13249	3.6
183.09256	2.2
183.11575	2.4
184.07574	4.3
184.11195	9.0
185.10738	6.4
186.11438	14.9
187.08650	5.9
190.95442	3.1
197.08273	7.6
198.09193	3.0
199.08585	4.4
199.14862	1.6
200.09396	10.9
201.10202	4.6
201.13855	17.4
211.08694	5.0
211.12100	1.6
212.10710	16.7
213.06552	8.5
213.10266	7.0
213.16263	1.8
214.07336	2.6
214.10667	9.9
214.12689	2.1
227.08162	8.5
228.08913	15.0
229.09801	20.1
229.13326	64.7
232.96414	4.4
239.18004	3.1
240.10191	3.2
241.09596	11.4
242.10487	13.6
250.97473	2.1
256.26276	3.9
256.96362	4.4
257.12836	100.0
257.18683	10.8
258.13257	2.5
258.24292	5.0
274.97455	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	257.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13342	0.5
52.91729	0.5
55.01855	1.5
57.03433	5.7
58.29728	0.5
63.16160	0.5
65.03915	0.7
70.65633	0.6
75.04457	2.1
79.05486	3.8
81.07050	0.6
86.36058	0.5
91.05468	1.4
94.04166	1.0
95.04903	0.9
98.97586	3.3
103.05444	3.3
105.07018	33.5
107.04934	2.5
109.06525	0.9
115.05451	1.5
116.98601	1.1
117.07011	0.6
121.06438	0.6
122.03634	4.5
124.05228	0.9
131.04907	0.6
133.06477	46.8
136.05225	0.5
137.05962	100.0
138.06281	1.2
140.56108	0.5
150.06737	1.0
151.07541	0.5
152.90721	0.5
163.07520	4.0
165.09099	24.4
175.07529	3.9
177.09138	0.8
181.08586	1.6
183.10153	4.3
203.10727	1.4
209.11752	0.7
216.44580	0.5
221.11737	2.0
239.12714	1.3
268.68576	0.5
274.97549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.05497	0.9
56.96554	1.3
57.03434	5.7
65.39782	0.8
67.05495	1.1
69.03385	1.1
71.43742	0.8
71.45805	0.8
75.04460	2.0
77.03926	0.8
79.05489	4.6
81.07050	1.4
83.79580	0.7
84.04488	2.2
85.02921	0.9
86.09718	2.2
91.05477	1.5
93.07040	1.1
93.50346	0.9
95.04967	1.9
95.08607	1.3
97.02927	0.9
98.97589	5.2
103.05469	3.7
105.07022	33.0
107.04946	3.3
109.06516	1.3
115.05414	0.9
116.98627	3.3
117.07060	1.1
121.06485	1.6
122.03661	5.1
129.07030	0.8
133.06483	51.9
134.99667	1.2
137.05969	100.0
139.02168	1.2
145.42117	0.7
163.07544	4.1
165.09102	24.4
175.07541	3.8
181.08607	1.8
183.10173	3.5
197.12669	1.0
203.10651	1.2
209.11778	1.0
215.03448	1.3
221.11586	2.0
228.94740	0.9
229.05045	1.2
257.04425	0.9
257.08081	1.8
257.13278	1.4
258.07993	1.4
274.97525	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	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62881	0.6
55.01853	1.3
56.96558	1.5
57.03433	4.7
69.43954	3.2
75.04460	2.4
79.05493	3.2
91.05476	2.2
94.04169	1.3
95.04955	1.2
98.97575	9.7
103.05432	2.9
105.07014	30.0
107.04967	2.9
109.06509	1.8
115.05425	1.2
116.98602	6.3
117.03455	0.7
117.07027	1.1
122.03630	3.8
122.04388	0.7
128.06262	0.7
133.06476	50.3
134.06839	1.0
134.99631	2.3
135.04420	1.0
137.05960	100.0
138.06306	1.2
151.07593	0.9
157.49385	0.6
163.07492	4.3
165.09100	20.7
175.07494	3.1
177.09154	1.2
181.08571	2.0
183.10185	3.9
203.10672	1.4
209.11755	0.8
221.11664	2.1
223.35924	0.7
229.05011	0.8
256.96701	0.7
274.97403	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	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03436	6.5
57.46052	0.5
66.78985	0.5
70.72778	0.8
75.04478	2.9
77.03929	0.6
79.05481	4.7
91.05465	1.0
93.07056	0.6
94.04183	1.3
95.04963	0.9
95.09143	0.5
98.97569	1.2
102.68690	0.5
103.05452	4.0
105.07021	35.7
106.09170	0.5
107.04939	3.2
109.06516	1.5
112.62085	0.5
115.05463	0.6
117.07021	1.0
122.03650	4.8
124.05196	1.2
133.06477	50.5
135.04401	0.9
135.08101	0.6
137.05963	100.0
138.06313	0.7
151.07524	0.7
154.00034	0.6
163.07524	5.0
165.09097	26.1
175.07526	4.0
177.09050	0.7
181.08598	2.1
183.10103	3.7
193.08598	0.5
198.01665	0.7
203.10628	2.0
209.11674	1.0
221.11731	1.8
239.12811	0.9
274.97507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29366	3.0
51.86205	3.0
52.43406	2.9
55.01856	14.7
55.05502	39.2
56.96560	3.7
57.03423	4.5
60.61372	3.0
65.03938	3.3
67.05495	100.0
69.03406	5.1
69.07053	25.3
69.55288	14.4
71.04984	58.1
73.23813	3.0
79.05479	46.8
81.03361	2.9
81.07046	71.0
83.04967	19.0
83.08607	3.4
85.06528	32.1
87.04456	12.5
91.05461	60.8
91.88212	2.9
93.07033	80.8
95.04948	14.1
95.08017	5.5
95.08597	88.8
95.47776	3.0
97.06519	29.8
98.97569	20.3
99.08076	10.6
101.06015	22.4
105.07025	44.0
107.08583	27.2
109.06508	8.2
109.10131	25.9
111.04433	20.0
111.08105	17.6
113.05984	4.7
116.98602	14.9
117.06991	13.8
119.08559	74.7
121.06467	7.2
121.10133	27.7
123.08047	17.4
123.71803	3.3
125.05969	6.8
125.09579	5.0
128.06218	7.6
129.05438	7.8
129.06978	7.5
130.15860	3.3
131.08553	13.3
133.06487	3.9
133.10123	34.7
134.99657	5.5
135.08032	9.9
135.11646	4.6
137.09621	23.2
139.07535	5.9
143.08571	19.1
145.10143	9.1
147.08031	20.4
147.11662	9.3
149.13213	5.2
151.07542	6.7
151.11148	8.4
155.10670	9.1
157.10133	5.9
159.11627	8.6
161.09645	5.7
161.13190	16.7
165.09090	7.6
169.06380	4.1
173.13164	4.6
175.11246	5.5
175.14792	53.3
185.13203	34.2
193.15865	9.5
203.14287	29.4
221.15315	39.6
225.09045	3.5
239.16299	28.2
257.08200	6.3
257.19461	5.1
266.75366	3.6
274.97501	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	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03920	0.9
55.01853	1.1
55.05500	11.1
56.96541	1.9
57.03420	1.0
57.07048	2.4
58.06602	1.0
60.08163	4.4
61.08472	0.9
64.84114	0.7
67.05492	21.6
69.07065	5.4
70.06569	0.7
70.07341	0.7
71.04961	1.1
71.08604	1.5
71.45184	0.7
79.05479	12.2
81.07043	14.6
83.08591	2.3
85.06489	0.6
91.05462	19.3
93.07017	10.3
95.04942	2.0
95.08590	14.8
97.06483	1.2
97.10133	1.7
98.97581	5.3
99.08056	0.9
103.05470	0.8
105.07008	21.7
107.08568	6.7
109.10136	5.1
115.05439	1.8
116.06210	1.6
116.98598	4.2
117.06988	25.9
119.08553	17.0
121.06424	0.8
121.10133	4.3
123.08050	1.2
126.83716	0.7
128.06204	3.1
129.06987	12.6
130.07756	4.2
131.08542	36.1
133.06471	2.9
133.10107	12.3
134.99640	3.0
135.08063	0.8
135.11632	1.9
137.09581	0.8
141.06981	5.4
142.07745	2.6
143.08533	16.1
144.09300	1.3
145.06461	5.8
145.10095	79.5
146.10466	2.1
147.08002	2.6
147.11649	9.8
149.09494	1.6
154.07655	1.1
155.08513	5.7
156.09312	1.3
157.10092	12.3
158.07253	1.0
159.07996	2.5
159.11653	22.4
161.09558	2.5
161.13246	2.0
163.11101	1.2
168.09309	1.6
169.10114	8.9
171.11652	17.2
171.13042	1.3
172.08751	0.9
172.12221	0.8
173.09590	2.6
173.13234	9.5
175.11145	3.0
182.10936	0.9
183.11644	10.8
185.13216	5.5
186.14024	0.7
187.11134	13.8
187.14732	4.6
188.11465	0.7
189.12700	1.2
197.13216	7.6
199.14743	1.4
201.12671	1.0
201.16325	1.2
210.13828	0.9
211.14742	2.4
213.16289	1.9
215.14282	3.1
215.17918	1.1
229.19466	39.9
230.19882	1.2
234.63884	0.6
239.17889	14.0
252.96814	0.8
256.29977	8.8
257.18954	100.0
257.26462	4.4
257.30240	12.7
258.19290	2.7
258.27908	1.6
274.97495	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	258.0759
Annotation	Clausine-R
Peak:m/z	Relative Intensity
55.01826	0.4
55.05484	0.5
64.19855	0.3
66.10494	0.4
67.05479	0.6
73.77827	0.4
79.05466	0.9
81.07021	0.7
91.05457	0.8
93.07027	0.4
95.08607	0.7
97.06512	2.4
98.86597	0.4
98.97588	1.1
105.07010	0.4
107.08593	0.5
109.10091	0.4
113.02341	1.1
115.04633	0.6
115.05441	11.3
116.97847	0.4
116.98618	0.9
117.98893	0.4
119.04888	0.6
119.08537	0.7
125.03849	0.9
127.05414	1.3
128.06192	3.1
129.07008	2.4
130.02884	2.1
131.08521	0.4
132.04434	0.4
134.99704	0.6
137.09578	0.6
140.04964	0.5
141.06998	0.5
142.04089	1.2
142.06496	7.2
143.04898	8.0
144.05577	0.7
145.06490	1.9
152.04939	0.5
153.03331	16.8
154.06499	0.5
155.04887	7.2
155.06036	2.7
157.06476	0.6
163.03914	1.9
170.03610	30.0
170.05844	6.3
171.04373	5.4
173.02232	0.7
180.04321	2.2
181.02795	2.4
183.04398	2.7
185.05946	3.5
187.07440	0.4
198.03104	9.2
198.05476	20.8
199.03877	21.9
199.05621	0.8
212.07115	0.4
213.05437	30.5
214.05629	0.4
215.07011	2.1
216.06517	0.8
226.04982	1.3
230.08078	1.1
243.44031	0.4
258.07578	100.0
258.24130	0.6
259.07660	2.8
259.20471	0.5
275.97754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1101
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
57.04679	0.4
58.06593	0.8
60.08154	8.6
65.81158	0.4
71.07365	2.0
84.17375	0.4
84.91180	0.8
86.09692	17.1
86.10217	0.8
87.10027	0.4
89.95678	0.4
94.92992	0.8
95.66975	0.5
97.32861	0.5
98.98452	2.7
104.10725	100.0
105.11067	1.1
112.03797	0.4
112.89585	1.2
114.89334	2.7
124.99981	22.3
160.20128	0.4
182.94553	0.5
184.07304	10.1
190.49196	0.4
239.97490	0.6
240.97050	0.6
241.58246	0.4
257.98645	0.5
258.10992	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	258.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	2.1
57.07080	5.4
59.40338	1.9
70.06589	5.2
78.80423	2.0
81.01895	2.5
85.10220	2.0
88.07614	6.3
89.07947	2.3
95.03461	100.0
98.97572	4.2
102.09159	5.4
108.04211	11.2
113.01775	2.2
122.05759	2.3
127.02407	5.5
136.07338	11.4
137.08092	54.6
148.65720	1.9
150.08885	29.5
152.06821	24.3
160.12035	1.9
164.10440	3.3
169.07077	6.3
178.12001	13.7
179.12785	22.5
194.11488	14.6
202.21667	7.3
211.11835	6.5
257.26682	30.6
258.11319	56.9
258.19144	2.0
258.27649	16.2
259.20505	2.8
268.23837	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98633	0.3
56.96558	10.6
66.64401	0.2
70.89832	0.3
71.38428	0.2
71.95241	0.6
75.70708	0.3
88.22039	0.3
95.70558	0.2
98.97569	100.0
99.97890	0.5
100.97144	0.6
116.98607	44.3
118.98255	0.3
133.93246	0.3
134.99638	9.4
140.00134	0.3
147.32664	0.3
153.00687	0.8
216.98608	0.4
234.99821	0.4
240.98581	3.2
258.99725	42.1
259.99994	1.6
277.00772	49.5
278.01013	2.1
279.00833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	13.5
65.03971	0.3
69.03414	3.4
70.06572	1.4
70.55400	0.6
70.82268	0.3
71.95242	0.6
72.08135	0.4
81.03397	1.0
84.04486	0.7
84.08128	2.3
85.02884	1.5
85.08462	0.5
97.02879	2.2
97.40318	0.3
98.97563	100.0
99.04472	0.6
100.97197	0.6
101.00834	0.8
109.02863	0.5
115.03912	8.8
116.98598	60.9
119.01864	2.0
127.03905	0.8
129.10210	2.1
130.10526	0.7
133.03433	1.2
134.99626	20.1
137.02968	0.3
140.00189	0.6
147.04295	0.4
149.02295	0.9
150.03075	1.0
153.00694	1.9
157.06358	0.4
171.09122	0.7
173.10690	0.6
175.00870	1.4
175.07442	0.4
178.16170	0.4
179.00706	1.2
189.00664	0.3
189.02467	0.9
193.01755	0.4
199.02145	1.5
199.07426	2.0
205.02361	1.0
213.05478	0.6
216.98668	1.0
217.01938	1.8
217.08337	1.9
221.01709	0.4
231.06419	1.2
234.99765	0.7
235.02977	1.1
235.10710	0.4
240.98616	3.8
241.03065	0.5
241.09644	1.0
258.99719	42.4
259.03799	5.7
259.08160	0.8
259.13574	0.6
259.99915	1.3
277.00757	54.4
278.01025	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27674	0.3
53.64267	0.3
54.98626	0.3
56.96283	0.6
56.96560	11.6
57.89928	0.3
57.90261	0.3
61.82367	0.4
65.73007	0.4
68.44138	0.3
69.03412	0.8
70.10417	0.8
70.10796	0.5
71.95249	0.6
81.03411	0.6
84.08140	0.6
96.05085	0.3
97.02892	0.9
98.97571	100.0
99.97926	0.4
100.02163	0.4
100.97193	0.5
100.97993	0.3
108.04487	0.5
115.03925	2.2
116.98608	52.6
119.01916	0.5
126.05541	0.4
126.44440	0.4
129.10303	0.4
134.99643	17.7
140.00143	0.7
146.02686	0.8
153.00664	1.2
166.62445	0.4
192.98756	0.3
199.04494	0.5
204.36847	0.3
216.98666	1.3
217.05592	0.6
217.32768	0.3
234.99586	0.8
240.98622	3.3
253.17781	0.3
258.99728	44.3
259.99997	1.6
277.00772	53.6
278.00894	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
54.25983	1.7
56.96555	3.0
69.03425	13.9
69.11710	3.1
69.12119	8.8
81.03407	4.8
84.08113	2.2
84.32052	1.5
85.02891	2.5
86.09701	1.7
97.02876	7.6
98.97578	25.5
109.02861	2.3
114.09146	2.7
115.03905	14.2
116.98634	14.7
126.27538	1.6
127.03851	2.6
134.99641	4.2
150.96107	1.7
156.04611	1.5
193.89351	1.4
210.45851	1.6
259.00220	8.3
259.04218	100.0
260.04523	1.6
277.00784	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	259.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01612	0.9
55.01869	12.8
57.03419	1.8
59.04988	2.8
59.33086	0.8
66.44642	0.7
69.03419	52.7
70.49829	1.0
71.04982	2.9
73.02911	1.3
81.03406	33.2
85.02895	4.8
87.04459	8.8
97.02879	31.5
99.04439	8.0
99.08069	0.6
109.02862	15.0
111.04421	0.7
115.03913	100.0
120.97471	0.7
126.22618	0.6
127.03901	10.1
145.04961	1.1
145.49812	0.7
147.15291	0.7
153.05415	0.7
185.64336	0.6
209.25749	0.7
241.07051	0.7
259.08115	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	259.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01864	12.0
55.05507	5.9
57.03422	17.8
67.05491	12.4
68.43605	3.9
69.03419	76.4
69.07062	23.8
70.06574	17.1
71.35634	6.0
79.05482	26.2
81.03400	18.0
81.07032	6.8
83.04971	8.8
85.02879	23.1
86.09702	11.7
87.04451	19.9
89.03874	9.7
91.05444	9.9
93.07024	4.9
95.04979	8.3
95.08594	8.6
97.02885	69.5
97.06518	100.0
98.97607	6.4
99.04436	14.7
105.06976	7.4
107.08599	6.3
109.02859	5.1
112.08730	5.2
115.03916	36.5
117.03378	7.9
117.06999	4.6
119.08578	7.3
121.06483	5.1
123.04464	6.4
127.03847	7.2
131.04916	6.8
131.08585	10.8
133.04956	15.5
133.10219	6.3
135.04405	17.0
141.06943	6.0
145.02827	10.8
146.11711	5.6
147.13644	6.4
154.48291	5.0
155.04893	4.6
159.04393	17.3
161.02299	26.9
161.05943	6.6
163.03841	44.5
169.05069	6.7
171.07980	4.5
173.02298	61.5
173.05959	5.2
185.13185	6.2
186.05450	5.7
187.07506	8.7
200.07027	13.3
205.05023	7.4
215.06969	71.4
217.04840	5.6
259.09830	41.3
259.20581	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	259.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
53.28315	0.9
55.01860	4.1
55.05513	1.9
57.03428	5.0
61.02934	1.9
67.03310	1.6
67.05493	2.3
69.03423	81.4
69.07064	2.3
70.03764	1.7
70.26836	1.0
71.01346	1.4
71.04979	2.2
73.02918	3.0
79.05481	5.1
81.03414	10.5
83.01348	1.2
83.04965	2.2
85.02895	12.2
87.04459	1.7
89.03886	1.9
91.05499	3.0
93.07077	1.3
95.04964	3.7
95.08609	2.1
97.02882	100.0
97.06522	18.6
98.97594	1.8
99.04421	5.7
103.03918	1.5
107.04963	2.2
109.02858	10.2
111.04422	2.7
111.15092	1.0
115.03913	5.3
116.98628	1.4
121.06512	2.1
123.02975	1.1
123.04434	2.1
125.02327	1.8
127.03902	11.7
128.06288	1.2
133.04950	1.1
134.99556	1.1
135.04431	3.4
137.05949	1.9
145.04939	3.6
149.06000	2.9
159.04422	1.6
161.02391	2.1
163.03859	7.5
173.02373	8.7
193.04968	1.9
197.13162	1.3
213.09259	1.6
215.06998	9.0
223.05997	1.9
241.07016	2.0
259.05746	12.9
259.09891	7.3
259.17010	1.4
259.20746	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
57.03426	16.9
59.04997	4.1
67.05483	5.0
69.03425	82.1
69.88404	3.4
70.60680	7.8
71.05008	4.4
71.33833	3.4
72.01514	4.4
73.02888	4.3
79.05519	4.3
81.03411	15.9
81.07029	3.4
83.05008	4.0
85.02899	38.4
87.04459	31.6
91.05471	7.9
95.04991	5.1
97.02877	100.0
98.97581	5.9
99.04450	9.2
105.07038	4.0
107.04969	4.6
109.02872	5.4
109.06583	3.4
111.04432	6.3
115.03911	41.1
116.44037	3.4
116.98560	4.0
119.08619	3.7
123.04464	8.0
127.03886	6.4
133.04948	24.2
133.66550	3.3
143.03395	4.6
149.02338	6.0
153.68848	4.3
169.04988	5.8
171.07881	4.6
181.06490	5.4
182.59953	4.3
205.04947	4.4
213.09142	4.1
215.07042	4.1
217.04861	4.0
231.06554	6.0
259.05923	8.4
259.10043	22.9
259.15204	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	259.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.2
55.05487	9.7
56.96569	5.8
57.03435	17.1
67.05508	13.0
69.03429	81.0
69.07063	24.8
71.04974	7.7
71.80468	6.3
79.05473	22.1
80.59270	7.1
81.03414	17.2
81.06561	6.2
81.07047	12.1
85.02890	29.8
85.06541	7.6
87.04441	32.9
89.03865	8.8
91.30719	7.5
93.07037	10.8
95.04988	13.1
97.02872	69.2
97.06519	100.0
98.97573	23.1
105.07037	10.4
107.08565	14.8
109.10136	9.1
111.04443	6.8
114.44478	6.4
115.03912	36.5
116.98603	22.4
117.03300	8.5
117.06980	7.9
119.08545	8.6
121.10130	10.6
123.04411	9.5
131.08516	8.4
133.04924	12.0
133.10155	11.9
134.42891	6.9
135.04462	11.0
143.38257	8.0
145.02809	7.2
145.10129	10.6
147.11615	8.4
149.13316	8.1
159.11665	8.9
161.02274	10.6
163.03873	64.7
173.02298	38.3
201.16354	11.1
215.06909	40.1
258.99854	7.4
259.09665	28.3
259.16956	9.1
259.20569	14.3
259.24219	16.1
260.09314	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	259.0963
Annotation	(+)-Dihydroeleutherinol
Peak:m/z	Relative Intensity
51.57888	0.5
53.03916	0.4
55.01866	0.6
55.05468	0.7
65.03931	1.0
67.05502	2.2
68.99768	1.3
69.03443	0.5
70.49563	0.8
75.00496	0.4
79.05482	1.4
79.40326	0.4
83.01331	1.2
91.05470	3.6
93.07026	2.1
95.04921	0.8
98.97571	0.6
101.65601	0.4
103.05439	1.2
105.07010	2.2
106.27586	0.5
107.04942	0.8
109.06503	0.5
111.04428	1.0
115.05435	2.2
117.06993	1.7
119.01324	0.5
119.04896	2.0
119.08556	0.8
121.06488	6.1
125.08375	0.5
128.06200	14.1
129.01765	0.6
129.06963	2.1
131.04890	4.9
131.08551	0.8
133.06444	1.6
133.10059	0.6
134.03642	0.9
141.06970	1.1
142.07753	1.0
143.04886	0.9
143.08534	11.3
145.06406	1.7
145.10052	0.5
147.04388	0.8
147.07996	0.7
147.11647	0.5
149.02318	0.6
149.05930	2.4
149.93239	0.5
152.06175	0.9
153.06931	2.5
154.07771	0.5
155.05992	1.1
155.08508	0.6
157.02858	0.8
157.06442	1.0
159.04390	2.5
159.08006	0.9
160.78146	0.4
161.05940	8.7
162.03102	10.4
170.07272	0.8
171.04391	1.6
171.08032	12.4
173.05936	1.5
174.03099	3.1
175.07510	1.0
177.05475	2.6
181.06480	2.7
183.07918	0.7
184.05148	2.1
185.02328	2.7
185.06004	1.1
185.09645	1.6
187.03937	1.1
188.04607	0.8
188.08302	1.0
189.05452	13.4
190.02580	19.2
191.07104	0.5
193.04836	1.2
198.03128	0.9
198.06775	1.1
199.03874	5.2
199.07512	14.3
201.05464	3.6
202.02562	5.8
202.06081	0.5
203.06993	2.0
203.10619	1.2
205.04926	76.6
206.05315	1.5
207.06601	0.5
212.04636	11.1
213.05370	1.3
213.09048	1.0
215.03308	3.3
216.04106	1.2
216.07774	2.1
217.04933	12.8
217.08440	4.7
219.06505	3.9
226.06229	1.4
227.06992	25.5
228.07475	1.4
229.04919	13.0
230.05602	1.3
231.06512	3.1
231.10135	2.2
241.08583	1.5
243.06615	0.5
244.07272	7.1
258.27298	1.1
259.09613	100.0
260.09995	2.8
281.56384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	Ephemeranthol C
Peak:m/z	Relative Intensity
53.03939	0.2
55.01855	1.1
55.05498	0.4
57.03409	0.3
57.07051	0.5
63.02377	0.3
65.03923	0.8
67.01848	0.3
67.05501	3.1
68.99767	1.0
69.03413	0.7
69.90899	0.6
77.03908	0.5
79.01828	0.2
79.05470	1.0
83.01328	1.3
89.03909	0.4
91.05471	2.8
93.07038	2.1
93.57652	0.2
95.04956	1.2
100.40295	0.2
103.05452	1.7
105.03383	0.3
105.07021	2.4
106.04147	0.8
107.01307	0.4
107.04985	1.2
109.06429	0.4
111.04418	0.9
115.05434	2.7
117.07016	0.7
119.04934	2.3
119.08546	0.3
121.02867	0.6
121.06487	6.7
124.64066	0.2
127.05450	0.3
128.06203	12.4
129.07028	2.0
131.04912	5.5
132.05722	0.3
133.02859	0.4
133.06461	1.7
134.03615	1.9
139.03770	0.3
141.06929	1.5
142.07739	0.6
143.04910	1.7
143.08542	8.5
144.05656	0.5
145.02742	0.4
145.06477	1.5
146.03522	0.4
147.04407	1.1
147.08002	0.7
149.02330	0.4
149.05957	3.3
152.06190	1.1
153.06964	2.6
154.07605	0.2
155.05984	1.1
155.08549	1.3
156.05676	0.8
157.02815	1.1
157.06470	1.3
157.09950	0.3
159.04396	2.3
159.07979	0.4
160.05173	0.7
160.08760	0.3
161.02376	0.4
161.05965	5.1
161.09512	0.2
162.03098	13.2
163.07542	0.7
164.04677	0.3
165.06940	0.4
168.05727	0.4
169.06406	0.5
170.03584	0.4
170.07248	0.5
171.04407	2.9
171.08028	9.6
172.08549	0.5
173.05951	0.8
174.03075	1.3
175.03856	0.9
175.07521	1.2
175.10918	0.2
177.05452	4.1
181.06456	1.9
183.04317	0.3
183.07988	0.9
184.05185	1.7
185.02310	2.5
185.05949	0.9
185.09552	0.5
187.03835	2.0
187.07500	0.4
188.04668	1.8
188.08308	0.5
188.95135	0.3
189.05434	11.6
189.09016	0.4
190.02583	21.9
191.03020	0.6
191.07043	0.5
193.04950	1.8
198.03098	2.7
198.06731	1.2
199.03857	7.1
199.07510	14.3
200.08035	0.6
201.05388	2.0
202.02554	2.2
202.06190	0.7
203.03270	0.3
203.07001	2.9
203.10654	0.8
205.04930	100.0
206.05257	2.4
207.06509	0.6
212.04642	3.1
213.05402	0.8
213.09059	0.6
215.03352	4.3
215.06909	0.3
216.04172	1.8
216.07687	1.4
217.04958	4.8
217.08534	5.3
218.05513	0.3
219.06490	3.8
226.06203	0.7
227.06998	24.2
228.07568	1.1
229.04918	6.2
230.05608	1.0
231.06509	7.0
231.10059	2.7
241.08582	0.8
243.06363	0.4
244.07260	6.3
246.07607	0.4
258.27936	1.1
259.09613	98.4
259.28162	0.5
260.09933	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0964
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
55.01850	1.0
55.05495	0.6
57.07051	2.2
58.06585	0.5
67.05485	1.9
70.06591	0.6
70.24294	0.8
72.07793	0.5
72.08150	7.8
79.05466	1.4
83.01330	1.0
87.27878	0.5
88.07632	0.8
89.43313	0.5
90.09176	6.3
91.05450	2.3
93.07021	1.3
95.04958	1.1
100.92883	0.5
103.05430	0.9
105.07021	2.3
107.04947	0.6
111.04416	0.5
115.05441	2.1
117.07020	0.7
117.16203	0.5
119.04919	2.4
121.06488	5.9
123.04391	0.6
128.05321	0.9
128.06201	13.0
129.07001	2.7
131.04918	4.8
131.08524	0.5
133.06425	1.3
134.03593	1.4
141.06953	1.1
143.04889	0.8
143.08534	10.5
145.06444	1.5
146.03674	0.5
147.04430	0.7
149.05946	3.2
151.03850	0.7
152.06189	0.9
153.06972	2.3
155.06093	0.9
155.08539	1.6
156.05649	1.1
157.02802	0.6
157.06430	1.1
159.04382	2.0
159.08014	0.7
161.05965	8.5
162.03098	9.5
165.06966	0.5
170.07248	0.7
171.04355	1.6
171.08028	11.2
172.08650	0.6
173.05988	1.2
174.03067	2.9
177.05447	3.2
179.23691	0.5
181.06416	2.3
182.07251	0.8
183.07961	0.6
184.05174	2.3
185.02312	1.6
185.05939	1.1
188.04697	0.9
188.08313	1.2
189.05437	11.1
190.02585	18.2
193.04915	1.6
198.03040	1.2
198.06726	1.0
199.03867	5.7
199.07515	14.9
201.05449	3.2
202.02605	5.1
202.06215	0.9
203.06978	1.8
203.10655	1.1
205.04935	77.4
206.05286	1.1
207.06560	1.0
209.05870	0.7
212.04645	11.3
213.05342	1.4
213.09018	1.0
215.03331	1.9
216.04222	0.5
216.07762	2.1
217.04939	12.9
217.08498	4.3
219.06537	2.9
226.06183	1.0
227.06992	26.5
228.07565	1.3
229.02690	1.0
229.04921	11.7
230.05646	1.6
231.06468	2.7
231.10092	2.9
241.08450	1.5
244.07314	7.0
250.72734	0.5
258.27890	26.8
259.09622	100.0
259.28235	11.4
259.31003	0.7
260.10007	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	259.0963
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
52.09766	0.5
55.01870	0.7
56.96539	0.7
57.07050	1.1
62.62951	0.5
67.05481	1.7
68.99796	0.8
69.03410	0.7
70.06581	0.9
70.39288	1.2
77.27278	0.5
79.05453	0.9
83.01359	0.6
88.07608	1.4
89.37059	0.6
91.05473	1.8
93.07053	1.0
95.04961	0.9
98.97588	1.9
103.05443	0.9
105.07026	2.7
106.08656	0.7
115.05424	0.8
116.98592	1.2
119.04923	0.8
121.06486	3.8
124.96040	0.7
128.06200	6.5
129.06996	1.4
131.04900	3.2
131.41150	0.6
133.06458	1.1
143.08527	5.5
147.08023	0.9
149.05959	1.9
153.06984	1.4
155.08553	0.8
159.04349	0.9
159.07994	0.7
161.05991	4.6
162.03107	5.7
171.04402	1.2
171.08025	6.8
174.03128	1.8
174.33034	0.6
177.05435	2.1
181.06476	1.4
184.05089	1.1
185.02293	1.2
187.03856	0.8
189.05455	8.0
190.02585	10.7
193.04883	0.8
198.06734	1.0
199.03838	3.1
199.07491	7.7
201.05513	2.1
202.02596	3.6
202.06175	0.6
203.06999	1.6
205.04936	41.9
207.06613	0.8
212.04614	6.4
213.08989	0.8
215.03281	1.1
216.07762	1.5
217.04951	8.0
217.08607	2.6
219.06461	1.5
226.06265	0.8
227.06975	14.1
228.07552	0.6
229.04903	8.1
230.05634	0.8
231.06372	1.5
231.10071	1.1
241.08675	1.2
244.07304	4.5
259.09622	100.0
260.10034	2.8
260.25809	9.5
283.41867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0961
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
52.71991	0.3
55.01867	0.7
65.03920	0.6
67.05495	2.1
68.99773	0.4
69.03408	0.7
71.25740	0.5
79.01816	0.4
79.05466	0.8
83.01317	1.1
91.05452	1.9
93.07017	1.1
95.04942	0.7
103.05436	1.4
105.07021	2.0
106.04131	0.5
107.04960	0.8
109.06520	0.4
111.04409	0.5
115.05424	1.5
117.06973	1.0
119.04907	2.0
121.02863	0.3
121.06475	4.4
128.06201	10.7
129.06972	1.3
131.04922	4.4
132.05644	0.5
133.06450	1.3
134.03624	1.0
141.06952	0.9
142.07776	0.6
143.04901	1.0
143.08539	8.9
145.06461	1.3
146.03632	0.5
147.04385	0.7
147.08005	0.4
149.05945	2.2
152.06183	0.9
153.06966	2.1
155.05984	0.8
155.08534	1.3
156.05591	0.8
157.02811	0.6
157.06462	1.1
159.04449	2.1
159.08041	0.6
161.02289	0.3
161.05957	6.6
162.03101	7.9
163.03706	0.5
170.03607	0.3
171.04401	1.0
171.08020	9.0
171.09419	0.6
172.08760	0.5
173.05937	1.0
174.03101	2.4
175.03880	0.3
175.07541	0.8
176.04712	0.3
177.05449	2.6
181.05101	0.4
181.06412	2.1
182.07193	0.4
183.08043	0.8
184.05162	2.0
185.02391	1.5
185.05931	1.2
187.03912	1.6
188.04689	0.8
188.08340	0.4
189.05432	11.1
190.02579	14.6
191.03114	0.6
193.04962	1.0
197.05856	0.4
198.03056	0.8
198.06737	1.3
199.03903	4.0
199.07539	10.6
200.07948	0.6
201.05469	2.9
202.02568	3.8
202.06148	0.9
203.03320	0.5
203.06970	2.6
203.10672	0.9
205.04936	69.3
206.05235	1.8
207.06622	0.4
212.04648	8.4
213.05348	0.9
213.09131	1.6
215.03377	2.9
216.04153	0.6
216.07820	1.8
217.04933	10.3
217.08458	4.6
219.06537	2.6
226.06242	0.9
227.07004	24.7
228.07646	0.7
229.04927	10.7
230.05618	1.3
231.06519	2.8
231.10121	2.2
241.08511	1.6
243.06528	0.6
244.07237	6.7
245.07758	0.4
259.09622	100.0
260.09976	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
51.63770	0.6
53.39994	0.4
55.01864	0.7
55.05501	0.8
57.07066	4.8
58.06588	0.9
67.05494	1.9
69.75894	1.8
70.06573	0.9
70.81219	0.4
70.99945	0.5
71.08633	2.3
72.08147	17.5
73.08473	0.9
77.87856	0.5
79.05477	0.7
83.01352	0.8
88.07590	1.4
90.09180	12.7
91.05464	1.9
91.09514	0.9
93.07013	1.0
95.04958	0.8
98.22806	0.7
103.05414	0.8
104.69669	0.5
105.06989	2.2
107.04859	0.6
111.04440	0.8
115.05433	1.4
116.98552	0.4
117.07010	1.3
119.04948	1.2
121.06477	3.4
128.06200	9.0
129.06969	1.8
131.04918	3.2
133.06450	1.3
134.03645	0.7
135.04451	0.5
141.06943	0.5
143.04939	0.7
143.08524	7.8
145.06448	1.2
147.08052	0.6
149.05937	2.5
153.06963	1.5
155.06035	0.9
155.08533	1.4
156.05630	0.7
157.02805	0.9
157.06407	1.0
159.04402	1.2
161.05959	6.8
162.03093	7.2
165.07027	0.5
170.07341	0.7
171.04338	1.1
171.08025	8.7
174.03093	2.3
175.07529	0.6
177.05467	1.8
180.47896	0.5
181.06476	1.8
184.05180	1.8
185.02322	2.3
185.05821	0.6
185.09601	0.8
187.03796	0.9
188.04616	0.9
189.05443	8.0
190.02579	11.2
194.07262	0.6
198.03059	1.1
198.06767	1.4
199.03860	3.5
199.07489	9.8
201.05487	2.6
202.02554	3.6
203.06966	1.7
203.10643	1.2
205.04933	53.7
206.05196	0.8
212.04652	7.3
214.25163	0.8
215.03357	1.6
216.04024	0.5
216.07813	1.8
217.04959	8.5
217.08554	2.1
219.06509	1.8
226.06242	0.8
227.06969	14.4
228.07755	0.7
229.04921	8.3
230.05544	1.0
231.06436	2.3
231.10143	1.9
241.08502	1.3
244.07312	5.8
258.27890	52.8
259.09616	100.0
259.20538	1.3
259.28220	21.5
260.09976	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	259.0962
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
53.03893	0.6
54.76317	0.6
55.01859	5.0
55.05497	0.9
57.54643	0.6
67.05487	1.3
68.99775	2.5
69.03423	4.0
69.07041	3.1
79.05497	1.3
81.03394	1.2
82.48174	0.6
83.01324	0.9
85.02849	1.1
91.05446	2.2
95.04939	0.8
97.02865	4.0
98.97543	1.2
99.04408	0.8
103.05466	0.7
105.06978	1.2
107.04938	1.9
115.03870	1.1
115.05445	2.3
116.98569	0.9
117.06969	1.1
119.04923	1.4
119.08588	0.8
121.06425	1.1
127.03848	0.9
128.06183	9.1
129.06981	2.1
131.04909	1.8
131.08514	1.0
133.06454	1.4
135.04399	2.8
141.06944	0.9
142.07664	0.9
143.08524	8.9
144.05612	1.0
145.06512	3.0
147.04425	2.7
152.06154	1.2
153.06956	3.7
155.06015	1.3
155.08536	2.0
156.04390	0.7
157.06465	2.0
159.04410	3.1
159.08012	1.3
161.05995	1.8
162.03029	1.0
163.03865	1.5
169.06451	1.1
170.07193	0.7
171.04376	1.8
171.08003	13.0
173.05934	6.7
175.03825	1.2
181.06439	2.3
184.05185	3.8
185.05946	3.8
185.09525	0.9
187.03836	5.5
187.07431	1.1
189.05403	2.8
189.09042	1.3
190.02527	2.0
191.03391	5.0
197.05832	1.1
198.06721	1.3
199.03914	1.5
199.07486	9.1
200.04576	1.3
200.29721	0.6
201.05432	11.8
202.02606	1.4
203.03354	11.9
205.04929	7.2
207.83411	0.6
213.05502	3.0
215.03354	17.7
215.06963	2.4
216.04132	3.5
216.07680	3.8
217.04895	6.4
226.06195	1.3
227.06979	20.7
229.04919	39.3
230.05380	1.8
231.06430	0.8
231.10091	0.9
243.06490	7.3
244.07246	22.8
259.09604	100.0
260.09952	2.5
277.00827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
52.35722	0.7
54.75195	0.6
55.01866	1.8
57.03421	0.8
65.03939	0.7
67.05495	4.1
68.99761	1.5
69.03414	1.8
74.59953	0.7
77.03934	0.7
79.05509	1.4
81.07041	0.8
83.01316	1.0
86.09696	6.4
91.05467	4.0
93.07033	3.0
95.04969	1.5
95.08639	0.8
97.02886	1.0
98.97572	0.9
103.05458	2.2
105.07018	2.9
107.04939	1.2
111.04443	1.3
114.59213	0.6
115.05435	2.7
117.07055	1.3
118.04128	0.7
119.04951	3.4
121.06479	7.3
127.05415	0.8
128.06203	16.0
128.07057	1.2
129.06966	3.4
131.04926	8.0
131.08554	1.2
133.06485	2.4
134.03616	2.3
135.04413	1.0
141.06958	1.9
142.07759	1.3
143.04889	1.2
143.08546	11.2
145.06494	3.2
146.03645	0.7
146.11768	1.6
147.04391	1.6
147.08087	1.3
149.05974	4.0
152.06216	2.0
153.06949	3.9
155.05998	1.8
155.08572	1.9
157.02890	0.7
157.06480	1.3
159.04384	4.3
161.05962	9.7
162.03094	13.7
163.03835	1.3
169.06496	0.8
170.07359	1.0
171.04343	4.1
171.08028	12.5
173.05922	1.9
173.09630	0.8
174.03127	2.5
175.03841	1.5
175.07558	1.1
175.11145	0.7
176.04596	0.8
177.05484	3.4
181.06468	3.0
183.08012	2.0
184.05159	2.9
185.02336	3.4
185.05956	2.3
185.13123	0.6
187.03874	3.4
188.04680	2.8
188.08363	1.4
189.05443	16.8
190.02586	20.3
191.03374	4.1
193.04936	2.4
198.03113	3.4
198.06737	1.5
199.03891	10.8
199.07513	18.3
201.05455	5.5
202.02611	3.9
202.06227	1.0
203.03261	1.1
203.06966	4.1
203.10660	1.5
205.04941	95.1
206.05315	2.1
207.06511	0.7
212.04645	7.2
213.05345	1.6
213.09102	1.6
215.03371	5.6
216.04160	2.6
216.07748	3.3
217.04933	9.4
217.08508	7.4
219.06482	5.7
226.06255	1.2
227.06989	36.4
228.07565	2.2
229.04938	11.3
230.05525	1.6
231.06509	8.5
231.10092	3.2
241.08583	2.0
244.07292	10.0
246.07599	0.7
246.47910	0.7
259.09625	100.0
260.09940	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	259.0963
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
55.01868	0.7
55.05492	0.8
65.03928	0.6
67.01828	0.4
67.05484	1.6
68.99768	1.0
69.03402	0.8
69.07066	0.4
79.05465	1.0
81.07022	0.7
82.00023	0.3
83.01329	0.9
85.02893	0.3
86.09666	0.4
91.05464	2.3
93.07022	1.5
95.04957	0.8
97.06477	0.4
98.67702	0.3
98.97560	0.4
103.05442	0.8
105.03432	0.4
105.07023	2.0
107.04900	1.1
107.08518	0.3
109.06461	0.5
111.04415	0.6
115.05428	1.4
116.98608	0.6
117.06997	0.7
119.04949	2.2
119.08545	0.5
121.02831	0.6
121.06489	4.8
128.05499	0.4
128.06206	10.3
129.06967	1.3
131.04900	4.2
131.08533	0.5
133.06474	1.1
134.03555	1.0
135.04398	0.5
141.06978	0.6
142.07761	1.1
143.04886	0.6
143.08537	7.9
144.05710	0.4
145.06444	1.5
145.10074	0.4
147.04378	0.8
147.08031	0.8
149.02350	0.6
149.05984	2.1
152.06154	0.9
153.06989	1.9
154.07567	0.4
155.06000	0.8
155.08505	1.3
157.02847	0.5
157.06488	1.1
158.07082	0.4
159.04379	1.4
159.07956	0.6
160.05167	0.4
161.05942	6.7
161.09509	0.4
162.03107	7.0
163.03815	0.6
165.07027	0.3
168.05713	0.7
169.06293	0.4
171.04410	1.0
171.08012	8.5
173.05937	1.1
174.03065	1.8
175.03838	0.5
175.07507	0.7
177.05455	2.9
181.06416	1.5
182.07191	0.4
183.07959	0.6
184.05113	1.7
185.02295	1.1
185.05890	0.9
185.09555	0.8
187.03868	0.9
188.04626	1.1
188.08307	0.8
189.05429	9.7
190.02570	12.7
191.03331	3.4
193.04956	1.0
198.03111	1.0
198.06752	1.0
199.03813	3.8
199.07509	11.2
201.05382	2.4
202.02557	4.0
202.06223	0.6
203.07019	1.7
203.10606	1.0
205.04926	59.9
206.05260	1.5
209.05945	0.7
212.04648	8.5
213.05354	1.3
213.09056	0.9
215.03392	2.0
216.04092	1.3
216.07799	1.5
217.04929	11.1
217.08408	3.6
219.06451	2.7
226.06148	0.9
227.06967	21.3
228.07642	1.0
229.04909	9.4
230.05627	0.9
231.06485	2.7
231.10094	2.5
241.08577	1.8
243.06421	0.5
244.07289	6.2
259.09610	100.0
260.09998	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	259.0963
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
53.03942	0.5
55.01857	1.1
62.11665	0.4
65.03916	0.9
67.05493	4.3
68.99771	1.0
69.03410	1.1
70.73101	0.8
79.05468	1.0
81.03402	0.5
83.01313	1.0
91.05453	2.9
93.07027	1.4
95.04949	1.4
103.05446	1.3
105.03385	0.6
105.07018	2.6
107.04913	1.1
111.04415	0.8
115.05408	2.9
117.06994	1.6
119.04942	2.9
121.06483	7.0
128.06189	14.9
129.07024	2.3
131.04918	6.5
133.06462	1.5
134.03590	1.4
141.06934	1.7
142.07758	1.1
143.04889	1.6
143.08539	12.3
145.06448	2.0
145.10068	0.5
146.03627	0.8
147.04414	1.7
147.08005	1.8
149.05945	3.5
152.06183	2.0
153.07021	2.9
155.04866	0.9
155.06033	1.6
155.08530	1.8
156.05630	0.7
157.02873	1.5
157.06464	1.4
159.04358	3.4
159.08018	0.5
160.05177	0.6
161.05948	7.8
162.03094	11.6
163.03842	0.7
165.07010	0.7
168.05692	0.9
169.06444	1.1
170.07262	1.0
171.04405	2.7
171.08025	13.6
173.05920	1.2
174.03067	3.3
175.03865	0.6
175.07487	1.6
176.04620	0.7
177.05470	2.2
179.03262	0.5
181.06477	2.8
183.08047	1.4
184.05150	3.0
185.02316	3.2
185.05879	1.3
187.03940	2.3
188.04698	1.5
188.08328	0.7
189.05426	14.8
190.02570	20.3
191.03246	1.1
191.07039	0.6
193.04947	2.2
196.59607	0.5
198.03146	3.2
198.06688	1.6
199.03859	10.6
199.07507	17.1
200.04581	0.6
200.07977	0.6
201.05463	4.2
202.02573	3.8
202.06212	0.9
203.06973	4.5
203.10629	0.9
204.04236	0.5
205.04924	87.4
206.05269	2.1
207.06485	1.0
212.04645	5.6
213.05405	1.1
213.09062	0.8
215.03381	4.8
216.04176	1.2
216.07835	1.8
217.04932	8.9
217.08461	5.6
217.86191	0.5
219.06467	5.5
226.06215	1.3
227.06984	34.4
228.07509	1.6
229.04916	10.5
230.05530	1.1
231.06462	7.7
231.10124	3.6
241.08574	2.0
244.07274	8.7
259.09607	100.0
260.09998	2.6
279.57642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76196	0.8
52.10830	0.8
53.03929	1.5
55.01862	8.4
55.05499	3.5
57.03419	1.6
66.12863	1.0
67.05499	8.2
69.03427	5.0
69.06708	1.9
69.07059	25.1
70.06583	1.6
77.03912	1.3
79.05480	20.5
81.03391	1.2
81.07051	3.8
89.03902	12.8
91.05479	3.3
93.07034	1.8
95.04964	2.9
95.08589	2.3
97.02875	3.2
97.06519	100.0
98.97573	2.2
99.04448	1.2
105.04485	1.7
105.07001	3.5
107.04947	2.9
107.08565	2.7
109.10126	2.5
113.36124	0.9
115.03904	2.4
116.98605	1.3
117.03368	13.7
117.06997	1.0
119.08565	3.2
121.10139	2.0
128.06183	1.2
129.06940	1.2
131.08537	2.4
133.02844	4.8
133.10115	2.9
134.03638	5.5
134.99591	1.2
135.04407	23.6
137.67012	0.9
145.02821	14.3
145.10089	2.8
147.04416	1.1
147.11726	1.1
157.10071	1.3
159.04375	3.0
159.11659	1.9
161.02328	10.6
163.03882	83.9
164.04248	2.0
173.02322	41.6
174.02815	1.4
175.03908	1.2
185.13295	1.6
202.12201	1.5
213.16269	1.2
215.07008	35.1
217.04890	2.7
259.09610	22.1
259.16962	1.6
259.20602	3.9
260.20013	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	259.0964
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
55.01852	3.8
55.05501	4.7
57.03429	3.5
57.07059	5.6
61.22418	2.1
65.23529	1.9
67.05489	3.8
68.99771	4.2
69.03403	8.0
69.07059	33.1
70.53739	4.6
72.51836	2.3
79.05494	12.1
81.03392	4.8
81.07024	2.9
83.04961	2.1
89.03912	3.3
91.05464	12.9
93.07031	11.3
95.04939	5.5
97.02876	5.6
97.06516	40.1
98.97576	9.2
103.05411	4.5
105.07007	12.4
107.04936	4.0
107.08572	2.8
111.04419	6.0
115.03954	4.2
115.05445	7.2
116.98606	6.2
117.06982	2.7
119.04920	15.3
119.08557	4.2
121.06495	14.3
123.86665	2.6
128.06204	31.9
129.06987	6.9
131.04910	7.3
133.02771	2.6
133.06482	11.8
134.99634	3.6
135.04379	7.6
143.04878	2.8
143.08546	37.6
145.02811	4.9
145.06454	3.5
147.04388	14.7
149.05971	9.4
152.06142	3.0
153.06985	6.6
155.06001	2.5
155.08530	3.5
157.06506	5.4
157.10069	3.0
159.04451	3.1
161.02333	6.9
161.05978	9.2
163.03851	21.1
171.04428	2.4
171.08018	42.2
173.02319	22.7
175.03889	18.8
177.05467	12.3
181.06480	5.2
183.08022	3.0
184.05113	5.3
185.05833	3.7
189.05461	9.0
191.03336	24.2
198.06816	2.9
199.03854	9.0
199.07495	63.4
201.05478	9.5
203.03363	11.0
203.07079	2.8
205.04880	13.0
212.04649	3.9
213.05391	5.2
215.03416	3.5
215.06989	24.9
217.04933	35.3
217.08725	2.7
227.06981	55.3
229.04935	55.6
231.10112	4.0
241.08752	2.6
258.99753	5.1
259.09625	100.0
259.16953	3.2
259.20685	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	259.0961
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
55.01853	0.9
55.05494	0.5
63.02396	0.4
64.44715	0.4
65.03917	0.9
67.05497	2.5
67.53304	0.3
68.99763	0.9
69.03400	0.5
79.05463	1.4
83.01322	1.4
84.51491	0.4
88.07648	0.4
91.05476	2.9
93.07009	1.5
95.04944	1.0
103.05441	1.4
105.06989	2.4
105.37523	0.3
107.04925	1.1
109.06493	0.5
111.04397	0.7
112.79555	0.3
115.05426	2.5
117.06994	0.5
119.04937	2.5
119.21272	0.4
121.02856	0.4
121.06494	6.0
128.06206	14.4
129.07021	2.1
131.04912	5.5
133.02795	0.7
133.06459	1.9
134.03613	1.5
141.06967	1.4
142.07761	1.0
143.04872	1.0
143.08545	10.1
145.06458	1.7
147.04384	0.8
147.08014	0.7
149.02275	0.5
149.05977	2.4
152.06201	1.0
153.06967	2.5
155.04907	0.5
155.06023	1.6
155.08511	1.9
156.05699	0.6
157.02815	1.5
157.06442	1.2
159.04382	2.5
159.05519	0.4
159.08058	1.0
160.05031	0.4
161.05960	7.2
162.03098	10.9
165.06892	0.6
168.05707	0.8
169.06461	0.4
170.07285	0.7
171.04340	1.6
171.08023	11.7
172.08725	0.4
173.06032	0.9
174.03149	2.3
175.03798	0.4
175.07480	1.5
177.05475	3.1
181.06451	3.2
182.07182	0.7
183.08008	0.9
184.05147	1.7
185.02327	3.3
185.05888	1.4
185.09608	0.9
187.03917	2.4
187.07661	0.4
188.04657	1.3
188.08267	0.7
189.05437	13.1
190.02586	18.7
191.03181	0.7
191.07011	0.4
193.04935	1.6
198.03041	2.0
198.06752	1.1
199.03883	7.0
199.07520	14.9
200.08081	0.5
201.05431	3.1
202.02567	4.4
202.06064	0.8
203.03194	0.6
203.06981	3.3
203.10645	1.3
205.04932	80.0
206.05305	2.6
207.06578	0.6
212.02769	0.6
212.04662	8.4
213.05301	0.8
213.09105	1.0
215.03419	3.7
216.04099	1.3
216.07874	1.8
217.04950	9.9
217.08501	5.3
219.06491	4.1
226.06357	0.8
227.06998	27.7
228.07547	1.1
229.04915	10.5
230.05745	1.3
231.06502	4.2
231.10110	2.3
241.08556	1.2
244.07274	7.2
259.09622	100.0
260.09949	3.2
260.25760	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.07082	0.9
67.05496	2.1
69.07056	1.9
71.08617	1.5
79.05493	1.6
81.07036	2.8
83.08588	0.7
87.98650	0.6
88.07622	1.0
91.05466	3.4
93.07006	1.1
95.08612	1.6
97.06551	1.1
98.97565	1.0
99.08066	1.2
105.07026	6.9
106.08646	1.0
108.98373	0.7
116.98612	1.0
117.06987	2.6
119.08561	2.1
129.06987	1.8
131.08543	2.9
133.10118	2.4
141.07007	0.6
143.08537	3.1
145.10138	4.1
147.11658	2.0
157.10089	1.3
159.11665	1.5
161.13274	2.6
171.11604	1.6
173.13228	1.2
175.14818	0.9
185.13220	1.5
189.12709	1.1
199.14868	1.4
229.11852	3.0
241.19438	3.3
259.12790	100.0
259.20428	9.0
260.12915	4.2
260.25861	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.01852	1.3
55.05504	6.4
57.03422	1.1
57.07065	3.1
58.06583	1.1
66.35414	0.6
67.05157	1.2
67.05494	15.4
69.07051	5.1
71.04971	1.8
71.08616	1.2
79.05486	12.3
81.03414	0.6
81.07047	16.6
83.04948	1.6
83.08591	1.6
84.74567	0.6
85.06532	4.7
91.05469	26.9
93.07033	11.6
95.04954	2.4
95.08018	1.0
95.08594	11.7
97.06506	5.1
97.10152	0.7
98.97587	1.1
99.08084	1.7
105.07015	39.9
107.04983	0.7
107.08572	7.0
109.06458	0.6
109.10145	5.5
111.08077	2.0
115.05432	0.9
117.07009	13.8
119.08563	25.3
121.10140	6.7
123.08042	0.9
123.11681	1.9
128.06218	2.1
129.06973	8.7
131.08556	18.5
133.10118	20.8
135.08009	1.9
135.11697	5.1
137.09610	0.8
142.07712	0.8
143.08525	9.4
144.09364	0.8
145.10101	13.0
147.08002	1.8
147.11673	16.0
149.09604	2.2
149.13283	4.1
157.10101	9.9
157.41505	0.6
159.11678	16.0
161.09599	2.7
161.13232	21.5
163.11160	1.9
163.14793	1.6
169.09984	0.8
171.11661	15.4
173.13231	12.0
175.11157	2.2
175.14793	21.2
177.12755	2.0
185.13216	11.9
187.14746	3.6
189.12721	2.5
189.16344	1.0
199.14748	7.5
201.16360	1.7
203.14305	1.6
213.16269	3.1
215.17941	5.1
217.19466	1.1
231.17455	1.7
231.21011	2.3
241.19470	43.8
241.27325	0.9
242.19917	1.1
259.09705	1.8
259.20538	100.0
259.28146	10.8
260.20975	3.9
260.23233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05505	5.0
57.07063	2.7
67.05496	7.1
69.07057	24.7
69.35968	2.1
69.36349	1.8
71.04983	16.4
79.05492	4.1
81.07051	13.7
83.04967	3.3
83.08610	7.2
85.06536	19.3
91.05468	8.6
93.07042	9.7
95.04975	2.8
95.08592	13.8
96.38483	0.8
97.06522	2.9
97.10168	1.6
99.08087	1.4
105.07021	16.6
107.08581	14.4
109.06498	4.8
109.10148	11.0
111.08049	6.3
117.07034	5.1
119.08569	40.9
120.09408	0.9
121.10139	11.0
123.08044	2.1
123.11694	21.8
128.06198	1.3
129.01898	1.1
129.07039	1.9
130.07750	2.6
131.08545	9.2
133.10109	25.7
135.08035	10.8
135.11615	4.1
137.09584	3.6
137.13292	1.4
142.07785	2.2
143.08546	4.8
144.09308	2.2
145.10110	24.5
147.11673	14.6
149.09590	3.0
149.13210	1.7
151.11172	1.4
156.09352	2.2
157.10106	11.0
159.11665	25.5
160.12413	2.4
161.09634	1.6
161.13235	25.2
163.11153	2.6
163.14777	1.2
170.10873	2.2
171.11664	14.1
173.13283	7.0
175.11401	4.2
175.14799	72.0
176.15599	4.4
177.12740	5.6
177.16350	3.8
185.13235	13.2
186.13792	0.8
187.14804	1.4
189.12727	5.2
189.16354	7.8
190.13416	1.8
191.14308	1.7
199.14806	3.7
201.16370	21.0
203.14296	10.6
213.16283	1.2
215.17897	5.1
217.15953	0.9
217.19484	3.6
241.19455	16.5
259.20544	100.0
260.20926	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	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93507	1.2
55.01849	2.1
55.05504	8.2
57.06813	1.6
57.07070	20.0
59.36242	1.2
67.05495	18.9
69.07059	9.6
69.74287	2.5
71.04980	2.1
71.08640	7.0
77.03922	1.4
79.05482	14.0
81.07051	15.4
83.04962	2.4
83.08591	2.2
85.06534	3.3
91.05468	40.4
93.07030	13.6
95.04969	11.3
95.08605	9.3
97.06516	4.4
98.23379	2.7
98.97569	1.8
99.08073	3.2
103.05460	1.8
105.04522	1.7
105.07019	73.1
106.07346	1.4
107.04937	1.5
107.08565	5.2
109.10124	4.3
111.08035	2.3
115.05470	2.2
116.98602	1.6
117.06997	24.8
119.08567	24.7
121.10123	4.0
123.08059	3.1
128.06223	4.4
129.06995	16.3
130.07759	1.4
131.08542	22.8
133.10118	15.7
135.08014	4.8
135.11670	2.5
142.07768	2.7
143.08546	13.3
144.63589	1.3
145.10106	20.3
147.08015	4.8
147.11679	9.6
147.52942	1.3
149.09601	2.8
149.13258	4.1
154.51190	1.2
157.10123	14.1
159.11684	10.9
161.09578	5.8
161.13211	14.0
163.14832	2.1
171.04405	1.3
171.08022	2.6
171.11662	19.9
173.13220	8.4
175.11221	6.2
175.14795	29.9
177.12729	2.6
185.13200	11.2
187.14844	4.3
189.12692	4.5
189.16296	1.6
195.95877	1.5
199.14781	6.1
201.16333	1.9
205.04912	8.9
205.50879	1.6
213.16391	1.8
215.17990	7.2
217.04959	1.7
217.15855	1.7
227.07123	2.7
229.04846	1.4
231.21057	4.3
241.19495	30.9
242.19739	2.3
259.09674	14.9
259.20551	100.0
259.28125	11.3
260.20868	4.3
260.23587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03929	1.4
55.01853	1.5
55.05506	5.3
57.07067	15.9
67.05493	14.2
69.03415	0.7
69.07055	7.5
69.17029	5.2
71.04974	1.6
71.08624	7.6
76.89838	0.6
77.03941	0.8
79.05035	1.1
79.05484	13.9
81.07046	13.4
83.04977	2.4
83.08602	3.0
85.06526	3.7
85.10166	1.4
91.05466	30.0
93.07034	11.2
94.07328	1.0
95.04948	5.1
95.08588	10.5
97.06500	6.8
97.10161	1.5
99.08093	3.7
103.05449	1.0
105.07012	66.9
107.04926	1.1
107.08569	5.8
108.87788	0.9
109.06509	1.6
109.10134	2.8
111.08080	1.5
113.09626	1.4
115.05443	1.6
117.06995	21.1
119.08562	22.5
121.06479	2.0
121.10137	3.9
123.08033	2.3
123.11691	1.3
128.06192	2.2
129.06978	13.9
130.07753	0.8
131.08545	20.8
133.10103	18.0
135.08028	3.3
135.11673	2.5
140.85876	0.7
141.06990	1.0
142.07751	1.4
143.08534	14.2
145.10097	21.2
147.08049	6.1
147.11655	9.6
149.09593	1.4
149.13237	3.2
151.11089	1.0
157.10100	14.4
159.11671	10.5
161.09610	8.1
161.13234	16.2
163.11134	1.1
163.14787	2.0
165.12775	1.0
170.10909	1.0
171.11665	21.4
173.13220	7.1
175.11223	6.7
175.14789	29.6
176.15068	1.1
177.12703	1.8
185.13234	13.4
187.14761	2.8
189.12732	5.5
189.16371	1.7
191.14209	1.1
199.14717	4.4
201.16374	1.5
203.14276	2.2
205.04857	1.1
213.16290	2.3
215.17986	7.0
217.19537	2.2
231.17375	2.3
231.21005	4.4
241.19472	30.7
259.20535	100.0
259.28018	1.7
260.20776	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	260.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	5.3
56.41673	0.6
57.98374	0.7
65.03944	1.0
69.03422	1.4
70.06586	11.8
71.04992	4.9
71.06133	1.0
79.05502	0.9
81.03419	2.6
82.02943	1.6
84.04521	0.9
84.08118	3.4
85.02907	1.2
86.09679	1.3
88.82974	0.6
92.05016	2.3
95.04978	1.2
95.06089	0.8
96.04523	1.1
98.06065	2.9
98.97587	0.8
99.04448	24.5
99.05576	3.5
103.05470	2.6
104.04994	0.8
105.03393	1.7
105.05756	12.0
106.06615	1.0
109.02898	0.9
110.06066	0.6
113.07122	8.9
115.03924	1.0
115.05463	0.6
117.05711	0.9
120.04457	57.3
120.97945	0.8
127.03912	0.7
127.05077	2.1
128.29272	0.7
130.06514	2.2
132.04437	10.1
132.05473	0.9
133.05261	1.7
133.06418	0.9
134.06017	4.6
134.99608	0.8
137.04712	7.3
141.06577	76.0
145.06554	0.8
146.02397	1.7
146.06038	1.3
158.06015	6.9
160.07600	2.1
162.05516	0.7
171.04425	1.4
199.03905	0.6
201.06535	1.7
214.04924	0.7
215.03381	1.5
217.04912	2.4
217.09709	2.0
230.73973	0.7
232.10797	25.2
260.10291	36.5
260.19766	1.2
261.10519	1.1
278.11328	100.0
279.11612	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	261.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61488	0.3
50.87088	0.3
55.05518	0.3
57.07078	1.6
60.04512	0.4
64.42246	0.3
70.06586	1.9
71.08629	0.5
71.44370	0.3
79.05495	0.3
88.07625	2.9
92.08942	0.3
95.06051	0.5
99.04423	0.6
102.09165	0.8
106.08680	1.5
117.07088	0.3
120.97835	0.3
169.06358	0.3
178.06433	0.7
195.87529	0.3
205.07573	2.7
206.05966	4.3
206.07741	0.4
208.37280	0.3
215.05959	1.9
215.17955	0.8
229.10394	0.3
232.06281	1.7
233.07068	6.0
242.24800	0.7
243.05385	1.5
252.06566	0.9
260.05887	0.6
260.25821	12.0
261.06555	100.0
261.26138	4.7
262.06879	3.5
262.23599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0754
Annotation	Khellin
Peak:m/z	Relative Intensity
55.01851	0.2
68.31910	0.2
69.79433	0.5
69.79830	0.5
73.67441	0.2
91.05448	0.7
92.34376	0.2
95.04927	0.3
102.04670	0.2
103.05456	2.6
105.06976	0.3
115.05425	1.0
116.06212	0.5
117.06930	0.4
120.05672	0.8
127.05380	0.5
128.06068	0.4
129.06985	0.3
131.04901	23.1
132.05196	0.3
135.08032	0.3
137.02315	0.4
143.04942	0.3
144.05664	0.7
145.06514	0.4
147.04358	1.4
148.05133	1.1
155.03481	0.5
155.04860	2.8
155.06081	0.4
159.04387	13.3
159.07962	0.6
160.05106	0.6
162.03015	0.3
162.06712	0.2
163.07515	5.1
172.05139	1.3
173.05901	0.6
174.06653	0.3
175.03902	1.6
176.04649	5.8
183.04379	3.3
184.05176	1.3
187.03893	1.1
187.07500	0.8
191.07004	2.4
200.04652	5.4
201.05414	0.6
203.03345	19.8
204.04131	8.1
205.04823	0.7
211.03879	4.7
212.04585	0.3
215.06967	0.3
217.05003	0.3
218.05585	0.4
219.06477	100.0
220.06839	2.2
228.04120	7.4
229.04831	1.0
231.02856	1.5
233.08047	0.4
243.06485	7.2
246.05179	3.0
261.07532	74.7
262.07877	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0757
Annotation	2-Methoxy-6-acetyl-7-methyljuglone
Peak:m/z	Relative Intensity
50.59754	0.4
55.05524	0.5
63.35606	0.4
68.99783	0.5
69.07066	0.5
69.57706	1.4
79.05508	0.7
83.04982	1.7
91.05502	1.3
93.07025	0.7
98.22716	0.5
103.05469	2.5
105.07043	1.0
106.04179	0.5
106.96120	0.4
107.04984	0.5
115.05445	0.9
117.07014	0.7
119.04938	0.6
119.08569	1.1
121.06509	1.6
131.04916	16.1
131.08594	0.7
133.06526	0.6
134.03648	0.4
135.08073	0.6
145.06476	0.8
145.10162	0.6
147.04405	2.8
148.05183	0.6
149.05980	2.1
157.06546	0.5
159.04401	9.4
159.05725	0.6
159.07990	2.1
160.05180	0.9
161.05951	5.1
162.03064	2.4
163.03896	2.6
163.07513	3.1
171.04402	0.5
173.06076	0.6
173.09586	0.8
174.03122	3.8
175.03870	4.2
175.07529	0.8
176.04674	3.3
177.05450	25.4
183.04442	0.8
185.06004	1.4
186.06767	0.5
187.03908	1.1
187.07559	1.1
188.04713	1.2
189.05446	3.7
190.06268	2.1
191.03357	10.2
191.05217	0.5
191.06963	3.7
193.05043	0.7
200.04768	0.9
200.20323	0.4
201.09157	0.8
202.02594	1.5
203.03366	33.0
204.04135	4.8
205.04932	8.3
206.05675	1.0
211.03880	1.2
211.07405	0.4
213.05470	2.3
215.07034	0.5
216.04097	2.4
217.04933	9.9
218.05687	2.3
219.06494	30.9
220.06844	1.3
228.04144	1.3
229.08514	1.9
230.05847	0.4
231.06497	15.5
233.11655	0.5
243.06343	0.6
245.08043	1.4
246.05241	1.0
246.08820	4.9
261.07593	100.0
261.11212	83.9
262.07925	2.8
262.11493	2.7
262.23929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0756
Annotation	Khellin
Peak:m/z	Relative Intensity
71.43581	0.4
83.01315	0.7
88.07568	0.4
91.05468	1.9
93.07034	0.8
95.04913	0.6
98.97567	0.5
103.05482	3.4
105.07007	0.7
107.04898	0.5
109.02876	0.4
109.06526	0.5
115.05433	0.9
116.98582	0.6
117.06989	0.5
119.04903	0.4
120.05701	0.5
121.06509	3.1
127.05435	0.3
128.06097	0.3
131.04912	22.3
131.08553	0.5
134.03606	0.7
144.05672	0.6
145.06416	1.0
147.04367	1.6
148.05148	1.2
149.05942	1.8
154.00563	0.4
155.04871	2.6
155.05966	0.5
159.04396	12.3
160.05064	0.7
162.03090	7.4
163.07526	5.3
172.05174	1.6
173.05963	0.8
175.03847	1.6
176.04642	5.2
177.05458	1.9
183.04417	2.9
184.05185	1.2
187.03883	1.3
187.07506	0.6
190.02570	9.5
191.03247	0.4
191.07021	2.1
200.04659	4.9
201.05492	0.8
203.01868	0.4
203.03366	18.4
204.04126	6.8
205.04938	49.4
206.05345	0.9
211.03850	4.0
215.06976	0.5
217.04779	0.5
218.05734	0.6
219.06494	100.0
220.06842	2.3
228.04112	6.8
229.04855	0.5
231.02885	1.3
233.08047	1.0
243.06487	6.9
246.05165	3.1
261.07553	80.5
262.07721	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	261.0756
Annotation	Khellin
Peak:m/z	Relative Intensity
52.18875	0.5
55.01853	0.7
56.05019	1.2
57.07048	1.2
58.06575	0.7
58.70078	0.5
61.07973	0.5
68.71459	0.5
69.03383	0.5
70.02872	1.1
70.03239	0.9
74.06039	0.7
75.91937	0.4
84.45861	0.4
88.07619	3.9
91.05442	0.9
93.06997	0.9
98.23298	0.7
98.97559	0.9
102.96916	0.6
103.05428	2.2
105.06990	0.8
106.08622	0.7
115.05390	0.8
120.05654	0.6
121.06482	1.8
122.08122	0.4
131.03957	1.1
131.04910	21.6
133.06506	0.6
135.04378	0.9
135.08034	0.6
145.06453	1.1
147.04417	1.1
148.05133	0.9
149.05923	0.9
155.04852	1.7
159.04379	11.1
160.05042	1.0
161.05939	3.6
162.03130	3.0
163.07529	4.2
172.05193	0.9
173.05968	0.7
174.03072	2.1
174.06723	0.5
175.03848	1.1
176.04674	3.9
177.05363	0.7
183.04349	1.9
184.05193	0.8
187.03825	1.4
189.05455	2.2
190.02576	3.0
190.06195	1.7
191.03404	2.6
191.07001	2.2
193.03877	0.6
200.04695	3.0
202.02567	0.5
203.03369	15.2
204.04140	5.8
205.03011	1.0
205.04944	19.8
208.41156	0.5
211.03947	3.4
214.21585	5.0
217.04903	4.3
219.06488	70.1
220.06918	1.3
220.89659	0.5
228.04153	4.2
229.04942	0.8
231.02896	0.9
243.06448	4.2
246.05205	2.3
260.25787	1.3
261.07544	100.0
262.07840	3.4
262.21085	0.8
262.23743	9.7
278.96875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
56.96576	0.3
57.03429	1.0
69.03057	0.3
69.03419	3.9
70.11188	0.2
70.54268	0.2
71.04984	22.7
71.61166	0.2
73.02853	0.2
73.71598	0.2
81.03413	3.6
81.96339	0.2
85.02894	4.6
96.75027	0.2
97.02879	2.6
98.97578	0.3
99.04443	100.0
100.04764	1.0
109.02867	2.0
116.98584	0.4
117.05441	1.5
127.03915	2.0
145.04947	0.4
170.05945	1.0
172.96255	0.2
177.04398	0.4
188.07072	0.8
235.04842	0.2
243.08566	1.1
261.10062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29550	0.2
50.62964	0.2
51.82486	0.2
53.03696	0.2
53.03940	1.1
55.01869	0.2
56.96568	1.6
57.03432	0.9
60.45300	0.2
61.02916	0.5
69.03421	4.8
70.48011	0.2
70.48330	0.2
71.04985	23.5
73.02885	0.3
81.03407	4.0
82.99925	0.2
84.08125	0.3
85.02892	4.5
95.06080	0.5
97.02879	5.0
98.97576	9.3
99.04444	100.0
99.97900	0.3
100.04807	1.1
100.97163	0.4
101.00893	0.8
102.96863	1.0
109.02871	1.9
116.98609	4.8
117.05484	1.6
118.98208	0.2
119.01886	1.4
120.97871	0.6
127.03901	1.4
131.15474	0.2
134.99669	1.1
138.98990	0.3
145.04968	1.0
158.99780	0.5
173.01216	0.6
173.02834	0.3
177.00900	2.7
178.00993	0.3
191.02254	0.7
207.98216	0.3
217.03998	0.5
219.01933	3.6
220.02116	0.3
225.01004	0.5
237.02808	0.4
238.32516	0.2
243.01929	2.4
243.08643	0.7
244.02026	0.3
260.99655	2.9
261.03012	20.9
262.03204	1.3
278.96832	0.8
279.00635	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	261.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
56.96556	2.4
57.03420	0.9
57.11513	0.2
60.95845	0.3
61.02903	0.6
62.62854	0.2
69.03425	4.8
70.00175	0.3
70.48371	0.4
71.04985	22.9
81.03409	3.9
84.08159	0.4
85.02888	3.6
85.55411	0.2
95.06087	1.0
97.02885	4.1
98.97580	7.1
99.04446	100.0
99.97871	0.3
100.04768	1.0
101.00909	0.4
102.96880	1.1
109.02862	2.0
110.81065	0.3
116.98612	3.4
117.05491	1.8
119.01943	0.8
120.97904	0.5
127.03908	1.7
129.02245	0.6
134.99658	1.2
138.98946	0.3
145.04964	0.8
147.03247	0.7
155.71718	0.3
158.99777	0.5
164.91992	0.3
173.01233	1.9
177.00922	1.0
191.02248	1.7
201.06084	0.3
219.01982	1.7
223.64217	0.3
229.76227	0.3
237.02794	0.5
241.69264	0.2
243.02010	0.9
243.08676	0.8
260.96149	0.3
260.99661	2.0
261.03073	6.2
261.05832	0.6
262.03226	0.3
278.96869	1.4
279.00623	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01872	0.2
56.96556	0.3
57.03426	0.5
57.23169	0.2
61.02903	0.2
61.36177	0.2
69.03423	3.8
70.06583	0.3
71.04986	25.2
71.14323	0.3
73.02915	0.3
80.90588	0.2
81.03410	3.7
84.08129	0.6
85.02895	3.8
86.09699	0.7
95.06088	0.5
97.02881	2.3
98.97569	0.9
99.04445	100.0
100.04766	0.7
102.96861	0.4
109.02872	2.2
116.98592	0.5
117.05483	1.1
120.04445	0.5
120.97917	0.2
121.04793	0.6
127.03887	2.0
133.06442	0.3
134.99663	0.4
141.06601	0.9
142.06915	0.8
145.04958	0.4
145.06441	0.2
181.57124	0.2
218.05504	0.3
233.11018	0.9
243.08730	1.1
244.09746	0.2
261.10718	0.8
261.13187	0.3
270.00198	0.2
278.96942	0.3
279.11700	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1119
Annotation	Cedrelopsin
Peak:m/z	Relative Intensity
68.99773	0.7
69.03422	0.4
69.07045	1.0
72.46471	0.4
79.05471	0.7
81.07048	0.4
83.04970	1.7
85.73755	0.4
86.82788	0.3
91.05460	1.4
93.07030	0.6
95.04941	0.5
95.06058	0.5
95.08568	0.6
97.02866	0.3
98.97575	0.5
99.04451	0.5
101.51648	0.4
103.05441	0.8
105.07004	0.8
106.04139	0.5
107.08607	0.5
115.75241	0.3
118.40612	0.3
119.08574	1.3
121.06488	1.4
121.10127	0.4
121.74929	0.3
131.04898	2.3
131.08530	1.2
145.06528	0.5
145.10066	0.8
147.04405	3.0
147.08043	0.4
149.05956	1.6
157.06497	0.5
159.04430	2.0
159.08040	1.5
159.11736	0.4
160.05194	0.4
162.03099	2.2
163.03900	2.3
165.06929	0.5
171.04411	0.5
173.09625	0.9
173.13185	0.7
175.03889	2.3
176.04686	1.0
177.05450	24.1
177.57143	0.3
178.02536	0.6
185.05966	1.7
185.45630	0.3
187.03894	0.7
187.07538	1.0
188.04640	1.3
189.05435	0.5
191.03362	11.5
191.07022	1.6
193.04985	0.8
201.09058	1.0
203.03357	30.6
204.04089	2.3
204.84909	0.4
205.04927	4.6
206.05756	0.9
207.10229	0.5
213.03732	0.4
213.05411	2.0
215.17921	5.1
216.04189	2.6
217.04884	3.3
218.05777	2.5
219.06500	2.7
219.09984	0.5
227.06841	0.4
229.08557	1.8
230.05774	0.8
231.06493	16.6
232.07010	0.6
245.08017	1.0
246.08830	5.5
260.25919	0.8
261.11185	100.0
261.18524	2.2
262.11435	2.3
262.33609	0.4
278.96573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.112
Annotation	Cedrelopsin
Peak:m/z	Relative Intensity
55.01857	0.2
56.96549	0.2
61.90774	0.2
65.03925	0.3
68.99783	0.6
69.03423	0.5
69.46145	0.4
69.46534	0.8
75.13152	0.2
78.70800	0.2
79.05499	0.6
83.01317	1.5
91.05474	2.3
93.07034	1.9
95.04940	0.7
95.06104	0.3
96.58312	0.2
98.23031	0.9
98.97560	0.5
99.04456	0.3
103.05468	1.1
105.03383	0.3
105.04498	0.2
105.07009	0.7
106.04162	0.6
107.04984	0.2
109.02912	0.2
109.06527	0.6
116.98602	0.4
117.07025	0.2
119.03304	0.2
119.04913	0.6
121.02846	0.4
121.06491	6.9
121.07320	0.5
131.04906	4.0
134.03616	2.2
147.04408	0.7
149.02260	0.3
149.05963	3.3
159.04404	1.4
161.02332	0.3
161.05960	0.3
162.03102	15.4
163.03656	0.4
163.07576	0.6
175.61987	0.2
176.04695	0.4
177.05437	2.7
190.02582	21.3
191.03056	0.4
191.07037	0.5
195.42194	0.3
200.19962	0.3
203.03325	0.5
204.04167	0.6
205.04936	100.0
206.05252	2.2
219.06491	5.9
246.07591	0.5
261.07651	2.0
261.11099	2.5
261.18234	0.2
261.22165	0.5
262.23691	0.4
278.96597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.112
Annotation	Cedrelopsin
Peak:m/z	Relative Intensity
50.42658	0.2
55.01856	0.4
62.67122	0.2
65.03938	0.2
68.99757	0.5
69.03400	0.3
77.03896	0.2
79.05476	0.2
83.01334	1.2
86.97714	0.1
89.03914	0.2
91.05470	1.9
93.07040	1.3
95.04937	0.6
103.05437	1.5
105.04502	0.2
105.07011	0.6
106.04152	0.8
107.04962	0.3
109.06497	0.4
118.04159	0.3
119.04908	0.6
121.02865	0.2
121.06489	7.5
131.04906	6.8
133.06508	0.2
134.03615	1.7
135.04387	0.3
145.02852	0.3
147.04396	0.5
149.02304	0.4
149.05949	3.9
159.04390	3.5
161.02306	0.3
161.05913	0.2
162.03093	15.1
163.03566	0.3
163.07504	1.3
176.04712	0.4
177.05450	3.2
190.02586	20.1
191.02972	0.3
191.06947	0.8
203.03432	0.4
204.04135	0.5
205.04935	100.0
206.05278	2.4
219.06493	8.1
246.07542	0.3
260.25864	0.5
261.11194	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	261.1119
Annotation	7-Methoxy-6-[(3-methyl-2-butenyl)oxy]coumarin
Peak:m/z	Relative Intensity
69.07050	1.4
70.63898	0.7
70.64239	1.0
72.29241	0.8
122.03634	2.5
133.02826	24.6
137.05965	5.7
149.05960	1.0
150.03096	1.6
162.03117	1.8
165.05443	3.1
177.05438	2.0
178.02585	13.4
193.04941	100.0
194.05313	1.2
194.83383	0.9
203.03377	1.2
205.04959	11.8
231.06528	0.8
261.11157	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	261.112
Annotation	Cedrelopsin
Peak:m/z	Relative Intensity
51.67548	0.2
53.36543	0.2
55.01859	0.3
55.05488	0.8
57.07044	0.3
67.05470	0.6
68.99767	0.5
69.07067	1.1
71.04955	0.4
79.05459	0.8
81.07016	0.9
83.04961	1.7
91.05450	1.3
93.07018	0.8
95.04942	0.3
95.06059	0.8
95.08573	0.6
97.30986	0.2
98.23534	0.3
99.04421	0.4
103.05451	1.0
105.03347	0.4
105.06991	0.8
106.04124	0.6
107.04956	0.3
107.08550	0.6
115.05405	0.4
116.14922	0.2
117.06986	0.3
119.04928	0.6
119.08572	1.4
121.06489	1.4
121.10079	0.2
123.08044	0.2
128.50781	0.2
129.06979	0.6
130.07782	0.3
131.04901	2.3
131.08531	0.9
133.06485	0.3
133.10114	0.4
134.03589	0.4
135.08028	0.3
135.11678	0.4
143.08557	0.4
145.06462	0.6
145.10098	0.7
147.04390	3.3
149.05988	2.1
155.08484	0.4
158.07321	0.2
159.04388	2.2
159.08038	1.7
159.11676	0.3
160.05109	0.3
161.05939	0.7
162.03090	2.7
163.03877	3.0
171.04367	0.5
173.09592	1.2
173.13190	0.3
175.03885	2.6
175.07512	0.6
176.04611	1.0
177.05446	25.7
178.02551	0.3
178.05818	0.5
183.08023	0.3
185.05943	1.9
187.03867	0.8
187.07509	1.0
188.04697	1.4
189.05434	0.5
191.03358	10.7
191.06958	1.3
193.04906	0.4
201.05467	0.2
201.09138	1.0
202.08318	0.2
203.03357	33.5
204.04111	2.3
205.04936	4.2
206.05705	1.0
211.07466	0.3
213.05446	2.2
216.04178	2.4
217.04929	3.2
217.08360	0.3
218.05670	2.3
219.06490	2.3
219.10117	0.6
227.06874	0.4
229.08553	2.0
230.05721	0.5
231.06488	16.8
232.06715	0.3
233.11485	0.4
243.20996	0.2
245.08119	1.5
246.08835	5.9
261.11179	100.0
262.11609	2.4
262.23801	0.3
270.12393	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
53.03935	1.6
55.01861	0.8
55.05499	15.0
57.03419	1.8
57.07064	4.5
59.04984	0.5
59.36902	0.3
60.78911	0.3
65.03925	1.6
67.05491	40.7
69.07054	13.2
71.04980	2.5
71.08603	1.2
77.03922	1.9
79.05478	59.6
80.05818	0.7
81.03378	0.5
81.07042	45.5
82.07396	0.8
83.04974	1.2
83.08602	7.2
84.66656	0.4
85.06520	3.1
85.08907	0.5
85.10151	0.5
91.05463	29.5
93.07026	75.5
94.07367	1.1
95.04954	7.3
95.08588	33.5
96.08884	0.5
97.06501	2.9
97.10152	2.5
99.08059	2.9
105.04495	3.1
105.07011	19.4
105.48715	0.4
107.08572	46.3
108.08880	0.8
109.06519	2.5
109.10133	12.2
111.08074	2.7
113.09642	1.0
117.06996	6.3
119.06052	1.1
119.08554	15.5
121.10120	41.8
123.08055	1.2
123.11669	4.8
125.09606	1.2
129.06967	0.5
131.08540	13.2
133.10101	12.4
135.08061	0.8
135.11664	34.8
136.11934	0.5
137.09576	1.2
137.13199	1.3
140.52843	0.4
145.10097	13.7
146.10378	0.5
147.11658	11.2
149.13226	23.8
150.13461	0.5
151.11165	0.8
151.14810	0.9
153.12677	0.6
159.11647	9.5
161.13226	10.2
163.11169	0.9
163.14786	15.7
165.12747	1.0
167.14317	0.4
173.13232	9.3
175.14815	4.0
177.12770	0.7
177.16342	4.3
179.14319	1.4
187.14783	6.1
189.16325	0.9
191.14328	0.8
201.16364	3.1
205.15878	1.1
215.17915	1.4
217.19499	0.5
219.17291	1.1
233.22688	0.9
243.21033	24.9
244.21432	0.6
261.22086	100.0
262.22412	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03939	2.1
55.05502	13.1
55.05751	1.7
57.07054	3.4
65.03916	1.5
67.05496	37.3
69.06702	1.1
69.07056	12.9
70.79411	1.5
71.04973	2.5
71.08632	1.9
73.53384	0.8
77.03930	1.7
79.05485	55.2
81.07048	39.2
83.04940	0.9
83.08611	6.2
85.06538	3.7
91.05470	27.6
93.07033	72.6
94.07368	1.4
95.04968	7.4
95.08592	32.3
97.06498	2.4
97.10143	2.4
98.23440	1.0
99.08087	1.6
105.04498	2.6
105.07018	17.0
107.08579	45.3
109.06499	2.4
109.10149	12.3
111.08063	2.7
117.06996	8.0
119.08561	14.6
121.06462	0.9
121.10128	39.5
123.08073	1.4
123.11687	3.9
125.09607	1.4
131.08546	13.5
133.10109	12.7
135.08081	1.2
135.11681	33.1
137.09654	1.3
137.13206	1.4
145.10083	13.6
147.11674	10.5
149.09624	1.2
149.13232	26.0
151.11256	1.1
159.11658	8.1
161.13237	11.7
163.14787	17.4
165.12634	1.2
173.13231	10.1
175.14803	3.4
177.05428	2.0
177.16342	3.6
179.14265	2.1
187.14774	6.3
191.03346	2.1
192.03568	1.0
193.03745	2.1
201.16356	1.8
205.04967	8.9
205.15804	1.2
233.22647	1.4
243.21040	24.6
261.07318	1.3
261.11176	9.7
261.22095	100.0
262.22461	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34487	0.3
51.02371	0.7
53.03936	1.5
55.05499	14.5
57.03424	1.4
57.07064	4.0
57.78479	0.4
59.04995	0.6
65.03933	2.0
67.05491	45.7
69.07055	12.4
69.24552	1.9
71.04977	2.3
71.08629	2.1
77.03888	2.1
79.05477	62.3
80.05822	0.7
80.54718	0.4
81.07042	49.9
83.04970	0.7
83.08601	8.1
84.47406	0.4
85.06529	4.2
85.10203	0.4
91.05462	30.6
92.05797	0.6
93.07024	79.9
94.07362	0.8
95.04955	7.4
95.08586	36.9
96.08920	0.6
97.06510	3.3
97.10149	2.3
99.08066	3.6
105.04493	2.4
105.07008	18.8
107.08571	52.9
108.08836	1.0
108.30006	0.4
109.06496	2.5
109.10133	16.1
111.08064	3.7
111.11689	0.8
113.09644	1.3
117.06996	6.8
119.06072	1.0
119.08555	17.1
120.09340	0.5
121.10119	44.1
122.10424	0.5
123.08051	2.0
123.11688	4.9
125.09593	1.2
129.06972	0.8
131.08540	16.2
133.10104	13.8
134.10478	0.5
135.08057	0.8
135.11665	34.3
136.12006	0.8
137.09605	1.6
137.13232	1.7
139.11108	0.6
144.09314	0.4
145.10097	15.2
147.11658	10.1
149.13228	29.0
150.13557	0.8
151.11189	1.2
151.14774	0.9
153.12730	0.8
159.11670	10.2
161.13220	12.6
163.11128	0.5
163.14787	18.2
165.12691	1.4
167.14232	0.4
167.65002	0.4
171.11690	0.6
173.13235	11.0
173.14749	0.6
175.14780	5.9
177.12741	0.7
177.16347	4.1
179.14294	1.7
187.14778	6.6
189.16353	0.9
191.14209	0.6
201.16321	3.4
203.17941	0.5
205.15900	0.8
215.17894	1.5
219.17413	0.9
233.18977	0.4
233.22621	1.3
243.21025	29.2
244.21457	1.3
261.22079	100.0
262.22433	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02370	0.5
53.03927	1.6
55.01866	0.6
55.05500	16.6
57.03426	1.6
57.07065	4.4
59.94715	0.3
60.22330	0.3
65.03922	2.3
67.05492	48.6
69.07056	14.4
69.07437	0.5
69.27952	1.9
71.04968	2.5
71.08622	1.3
77.03899	2.9
79.05477	69.4
80.05825	0.5
81.07040	56.1
82.07386	0.6
83.04967	1.1
83.08602	8.3
85.06524	3.5
91.05462	34.3
93.07027	88.4
94.07360	0.8
95.04948	8.1
95.08588	40.5
96.08889	0.6
97.06516	3.1
97.10160	2.9
98.02657	0.3
99.08065	3.4
103.05448	0.4
103.32861	0.3
103.77317	0.3
105.04507	2.4
105.07010	23.0
107.08573	53.8
108.08858	0.6
109.06512	3.2
109.10130	15.5
111.08055	2.6
113.09634	1.1
115.05405	0.3
117.07005	6.9
119.06075	1.0
119.08557	16.4
120.09367	0.3
121.06503	0.6
121.10122	45.2
122.10516	0.5
123.08060	1.5
123.11677	5.0
125.09602	1.0
127.11115	0.6
129.06992	0.8
130.07741	0.7
131.08540	16.4
132.08862	0.4
133.10104	15.7
135.11668	38.7
136.12029	0.6
137.09596	1.6
137.13217	1.3
139.11147	0.9
143.08524	0.5
144.09370	0.4
144.10515	0.3
145.10092	15.7
147.11655	12.5
149.09575	0.8
149.13225	27.9
150.13551	0.5
151.11169	1.0
151.14784	0.8
153.12706	0.6
159.11668	9.3
160.12042	0.3
161.13225	12.1
163.11134	0.7
163.14784	16.5
164.15298	0.4
165.12701	1.6
167.14267	0.4
173.13234	11.0
175.14796	3.9
177.12714	0.9
177.16359	4.4
179.14278	1.7
187.14767	7.4
189.16354	1.3
191.14305	0.8
201.16341	3.0
205.15894	0.7
215.17978	1.7
217.19267	0.6
219.17426	0.9
233.22545	1.3
235.75702	0.3
243.21039	28.3
244.21503	0.7
253.15216	0.4
261.22083	100.0
262.22375	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.01878	1.9
55.05500	14.4
57.07051	7.7
66.76745	1.9
67.05162	2.8
67.05496	49.6
68.40819	2.0
69.07067	15.6
71.04975	2.6
71.08598	6.8
79.05485	67.0
81.07044	56.0
82.95342	2.0
83.08594	8.2
85.06529	5.1
91.05463	36.6
93.07031	74.7
95.04935	8.2
95.08591	34.8
97.06517	7.2
97.10133	2.4
98.96688	2.0
99.08083	5.0
105.04456	2.7
105.07014	26.7
107.08573	48.7
109.06493	5.6
109.10132	15.9
111.08059	2.7
113.09586	3.0
117.07011	15.7
119.08566	24.2
121.10130	37.3
123.11655	7.1
128.72128	2.5
131.08560	36.0
133.10123	16.7
135.08051	2.7
135.11674	28.9
137.09576	3.6
137.13196	2.9
145.10112	24.8
146.26324	2.7
147.11662	14.6
149.13222	16.7
159.11664	20.6
161.13228	14.9
163.14789	13.5
165.12660	2.1
173.13257	18.2
175.14760	6.9
177.16382	5.3
187.14818	12.6
201.16380	3.5
205.04881	4.7
215.17938	3.0
217.19449	3.5
243.21042	66.9
244.21523	2.8
261.11099	3.4
261.22092	100.0
262.17987	2.6
262.22372	2.9
281.75653	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03939	1.2
55.01862	0.7
55.05499	14.5
55.62711	0.3
56.96572	0.4
57.03423	1.2
57.07068	3.4
65.03927	1.7
67.05492	38.5
68.05820	0.5
69.03430	0.5
69.07055	12.5
69.79251	0.3
69.79594	1.0
71.04963	2.3
71.08618	0.9
77.03907	1.5
78.97566	0.3
79.05479	54.9
80.05807	0.5
81.07042	44.5
82.07397	0.4
83.04956	1.0
83.08602	6.3
85.06530	3.4
91.05463	28.4
92.05782	0.3
93.07027	72.4
94.07366	0.9
95.04951	7.3
95.08588	31.4
96.08955	0.5
97.06512	3.3
97.10147	2.8
99.08077	3.0
103.05472	0.4
105.04488	2.4
105.07010	19.5
107.04914	0.5
107.08574	44.0
108.08923	0.8
109.06496	3.2
109.10134	12.9
111.08067	2.5
113.09621	1.3
115.05386	0.4
117.06989	6.4
119.06033	0.8
119.08556	15.5
121.06488	2.0
121.10123	38.2
122.10473	0.6
123.08049	1.6
123.11681	3.9
125.09621	0.9
129.06947	0.6
130.07762	0.5
131.08542	13.4
132.08920	0.3
133.10098	12.4
135.08023	1.0
135.11668	31.4
136.12021	0.5
137.09648	1.5
137.13258	1.1
139.11156	0.8
143.08551	0.6
145.10100	12.3
147.11658	9.9
147.12840	0.5
149.09579	1.6
149.13228	23.8
150.13548	0.8
151.11163	0.9
151.14749	0.4
153.12677	0.6
157.10120	0.5
159.11667	9.8
159.12938	0.6
160.12074	0.4
161.09674	0.6
161.11853	0.5
161.13225	10.3
163.11147	0.8
163.14783	14.7
165.12746	1.9
173.13220	8.9
174.13577	0.4
175.14809	4.4
177.12758	1.5
177.16351	4.0
179.14198	1.6
187.14784	5.1
188.15094	0.4
189.16368	1.0
191.14336	0.6
191.17900	0.4
201.16344	3.0
203.17912	0.6
205.15871	0.9
215.17868	1.9
217.19504	0.5
219.17421	1.0
233.22618	0.9
243.21046	21.0
244.21428	0.7
261.22083	100.0
262.22357	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	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03931	1.9
55.05507	11.7
57.07056	4.3
65.03912	1.6
67.05495	39.8
69.03365	0.9
69.07061	12.4
71.04971	2.6
71.08611	2.1
79.05480	54.0
79.99305	1.0
81.07048	43.3
83.08611	8.2
85.06524	3.0
91.04935	2.1
91.05467	27.3
93.07032	73.4
95.04957	7.0
95.08593	32.6
97.06498	3.3
97.10161	1.5
99.08078	3.8
105.04473	2.3
105.07008	21.3
107.08584	46.6
109.06506	2.3
109.10127	13.1
111.08029	2.7
113.09628	1.5
115.05411	1.0
117.06983	6.3
119.08559	12.8
121.10131	39.8
123.11706	3.6
131.08562	15.5
133.10126	13.1
135.08009	1.2
135.11673	36.2
137.09593	1.6
137.13191	1.5
145.10104	13.9
147.11673	8.9
149.09607	2.4
149.13237	26.9
159.11673	12.9
161.13242	10.4
163.11104	1.2
163.14799	16.2
165.12788	1.2
173.13191	8.3
175.14801	3.5
177.16338	3.1
187.14729	5.1
200.43916	1.0
201.16350	3.1
205.98978	1.0
211.46895	1.0
243.21059	26.7
261.22089	100.0
262.22363	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	2.6
55.01862	2.1
55.05503	14.7
57.07061	7.9
59.10451	1.8
65.03899	1.9
66.81571	1.9
67.05498	41.6
69.07062	12.6
69.78014	3.6
69.78402	3.7
71.08622	4.2
79.05487	55.0
81.07048	43.6
83.04980	2.6
83.08612	9.9
83.34155	1.9
85.06536	4.8
85.10151	2.1
91.05466	32.7
93.07034	69.9
95.04958	7.7
95.08591	33.1
97.06507	2.8
97.10178	2.2
98.23386	3.4
99.08065	5.2
105.04514	3.1
105.07025	21.6
105.65689	2.6
107.08577	46.2
109.06499	5.0
109.10135	13.4
111.08060	3.3
117.07008	8.0
119.08585	15.1
121.10127	29.6
123.11681	2.8
125.09712	2.2
130.07726	1.9
131.08536	14.4
133.10094	12.6
135.08025	2.5
135.11679	26.8
145.10132	14.9
147.11693	12.0
149.09610	3.6
149.13231	22.9
159.11595	10.4
159.44453	1.8
161.13194	7.9
163.11115	3.2
163.14796	14.3
165.12746	2.6
173.13194	9.2
175.14787	5.2
177.16393	5.0
179.14317	2.6
187.14781	7.6
191.52341	1.8
201.16382	3.0
236.94897	1.9
243.21065	30.8
261.22095	100.0
262.22479	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72850	0.7
69.03397	1.3
81.03413	2.1
82.03732	1.1
91.05453	3.0
101.03928	1.4
103.05445	3.2
105.06978	1.4
105.20107	0.8
113.04413	0.8
115.05415	6.2
117.05735	1.3
117.06960	1.7
118.06556	4.5
119.04936	1.8
129.03322	8.0
129.06950	1.0
130.06528	0.9
130.74107	0.7
131.04913	8.8
132.04472	1.9
133.05247	1.1
133.06483	1.8
143.04897	5.2
145.06454	1.4
146.05981	21.4
147.04384	23.7
148.05133	1.0
156.04408	1.1
157.02824	24.0
159.04390	1.6
160.07550	2.5
161.05901	1.6
170.05978	0.9
171.04404	5.6
174.05478	41.6
175.06273	7.9
184.03865	0.9
185.02312	17.6
188.07074	2.2
195.94334	0.9
199.03859	4.7
202.04956	100.0
203.05304	2.8
216.06563	6.1
227.03349	88.5
228.03613	2.0
234.07571	41.6
244.06071	3.2
245.04424	47.0
246.04616	1.2
262.07077	42.0
263.07239	1.0
263.13843	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23400	0.2
56.96553	1.0
57.03429	1.8
58.06595	0.9
59.04991	9.5
59.07368	0.9
60.07867	0.5
60.08155	8.3
61.78032	0.2
64.26288	0.2
70.06588	0.3
70.21176	0.5
70.21523	0.5
71.04996	0.3
82.99854	0.3
84.08121	0.7
85.02891	100.0
86.03223	0.7
87.88245	0.2
98.97562	1.4
99.04434	0.6
99.97887	0.3
100.04771	0.8
100.97108	0.2
101.00859	2.9
102.46816	0.2
102.96827	0.5
103.03939	0.5
113.00848	0.6
116.98606	0.7
119.01898	5.2
120.97917	0.5
129.07841	0.3
131.01900	1.8
134.99681	0.3
137.02940	0.7
143.01868	5.9
144.10199	3.1
145.04933	12.5
155.01863	0.7
160.02040	0.3
161.02930	12.1
173.02881	2.1
174.01543	0.3
178.01001	1.6
179.00670	0.7
184.04652	0.2
185.02832	0.4
185.08034	2.0
191.03951	0.8
202.01086	0.3
203.03973	2.7
204.12289	0.7
216.79594	0.2
218.04155	0.4
220.02115	2.6
221.01645	0.6
221.05055	0.4
233.18988	0.3
235.68526	0.2
238.98221	0.2
244.02061	1.7
244.04280	0.3
245.01888	0.3
255.89566	0.2
262.00198	0.6
262.03143	12.1
262.16452	42.9
262.99051	0.5
263.02859	3.6
263.06067	1.4
263.14084	0.3
263.16779	1.1
280.00769	0.7
280.99994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40842	16.8
52.63961	15.2
68.32192	14.2
69.68413	53.4
80.38384	14.2
85.02893	14.0
93.52382	14.9
101.00858	22.5
119.01899	31.7
131.01857	23.9
143.01843	61.4
161.02931	100.0
173.02972	21.7
203.04004	22.7
263.01468	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60368	12.4
61.73980	13.6
68.68169	14.2
69.27704	80.2
81.32331	13.9
83.85318	12.0
85.02903	100.0
85.03381	21.0
87.01028	13.6
98.23407	28.4
98.97567	28.5
101.00906	18.1
101.75234	12.8
110.66742	13.6
131.01839	16.3
143.01872	30.0
161.02948	62.1
203.03966	18.4
221.39087	14.2
262.16370	26.1
263.01575	31.0
263.05145	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	263.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30713	8.5
69.84010	26.1
101.00868	34.4
119.01901	24.1
131.01898	21.7
143.01923	50.2
155.01891	20.3
161.02966	100.0
173.02980	29.4
177.09860	11.9
191.04037	27.6
203.03992	14.7
263.01700	60.3
263.05188	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31228	0.5
56.96563	3.1
59.04987	1.6
60.08160	1.1
60.95831	0.5
69.03407	0.8
71.04960	0.4
82.99837	2.0
85.02893	16.8
86.03226	3.9
88.99110	0.5
97.02892	0.9
98.97575	3.0
98.98141	0.5
101.00868	20.5
101.01535	1.1
102.00932	1.0
102.96857	4.0
105.00312	0.6
113.00851	3.4
114.87759	0.5
116.98626	1.2
119.01904	40.3
120.02020	1.0
120.97859	2.3
121.01649	0.9
128.98711	0.6
131.00359	0.5
131.01891	13.7
132.01944	0.5
133.03450	0.9
134.99629	0.6
137.02931	4.6
138.98901	0.8
142.03508	0.6
143.01877	40.8
144.02025	1.0
144.10197	0.5
145.03461	1.1
145.04982	2.2
146.05270	1.0
149.02930	1.7
155.01865	5.8
157.03485	1.2
158.99670	0.5
161.02934	100.0
162.03072	3.1
162.05356	0.5
167.02087	0.6
171.04974	0.5
173.02930	15.2
174.03014	0.6
174.99118	0.8
175.04495	0.7
177.00684	0.6
179.00645	3.2
179.03998	3.2
179.42159	0.4
184.04547	1.2
185.02930	4.1
191.03969	10.8
192.04106	0.6
193.00150	1.1
195.03012	0.5
197.03041	0.9
203.03979	24.7
204.04076	0.9
215.03963	0.8
216.30688	0.5
219.03839	0.5
221.01723	4.9
221.04976	3.8
227.00705	0.7
233.05037	0.8
237.44531	0.5
245.01819	2.8
245.05138	0.7
262.16452	2.9
262.99158	1.6
263.02847	26.5
263.06085	10.3
263.13815	1.0
263.16763	4.8
264.03033	0.7
264.06699	0.5
269.60739	0.5
280.99945	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	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02716	1.0
58.99853	1.5
67.82252	0.9
70.38855	1.3
70.39211	2.0
70.99837	1.6
76.68604	0.8
77.00890	1.6
82.99839	1.6
89.00872	3.5
91.52728	0.8
101.00862	17.3
102.46437	0.8
115.02405	1.5
119.01900	25.6
127.02431	3.4
131.01909	2.5
133.03453	1.6
137.02896	2.2
139.02390	4.2
143.01872	15.3
145.03450	6.2
157.03441	14.5
158.03662	0.9
159.01344	2.0
161.02937	34.0
173.02919	0.9
175.04482	2.2
184.04549	1.0
185.02878	4.9
187.04420	0.9
201.63226	1.0
203.03963	15.8
221.05057	9.7
239.06145	7.8
262.93146	3.7
263.06067	100.0
263.92615	4.7
264.06241	3.6
281.07062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75340	0.9
51.73024	0.7
54.48742	0.7
55.01862	6.3
65.98030	1.0
67.05492	1.3
69.03423	1.3
69.24670	3.0
69.25079	1.7
70.06583	5.4
72.08144	1.5
77.03953	1.2
79.05496	1.4
81.07052	1.2
91.05476	4.7
93.07026	1.4
95.04954	3.2
97.02863	1.1
103.05444	1.7
104.99265	4.8
105.03389	10.8
105.04491	1.5
105.07032	2.6
109.10140	0.9
109.49171	0.8
115.03886	1.4
115.05436	8.2
116.06250	1.4
117.07014	2.4
119.04888	0.8
119.08543	1.1
120.08095	1.2
121.10128	0.9
128.06190	6.4
129.06990	38.3
131.04897	4.6
131.08545	8.1
132.04547	0.9
133.02835	100.0
133.06445	6.2
134.03178	1.6
137.34744	0.9
141.06961	2.2
143.04903	11.1
143.18607	0.8
144.05670	1.6
145.06454	1.7
147.04410	3.8
147.08046	2.7
149.05995	1.4
155.06000	0.9
157.06468	36.8
161.05946	6.2
166.09239	0.8
175.07523	15.8
184.05084	1.1
185.05945	19.1
189.05484	2.4
193.73694	0.9
201.05455	0.8
203.07008	18.6
217.08569	54.3
218.08963	1.4
231.06483	28.8
254.76050	1.0
263.08948	5.0
263.13840	1.6
263.16476	1.4
264.99451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0913
Annotation	Buntansin B
Peak:m/z	Relative Intensity
52.29213	0.1
55.01865	0.3
55.10746	0.1
57.07048	0.4
63.06247	0.1
65.03928	0.1
67.01839	0.1
68.99782	0.7
69.03408	0.4
70.06576	1.1
71.04975	0.5
71.06866	0.1
71.08614	0.4
76.72295	0.1
77.03896	0.2
78.04709	0.1
79.05465	0.2
80.35359	0.1
81.07022	0.2
83.01326	1.5
85.02848	0.1
88.07606	0.9
91.05461	1.9
93.03385	0.1
93.07030	1.7
95.01329	0.1
95.04953	0.5
95.08574	0.1
102.09158	0.2
103.05453	0.7
104.99262	0.5
105.04503	0.1
105.07010	0.5
106.04137	0.4
106.08642	0.1
107.04922	0.3
109.02883	0.1
109.06496	0.5
114.09154	0.3
115.05396	0.1
119.04896	0.5
121.02817	0.3
121.06487	6.6
122.06816	0.1
128.06136	0.1
129.06984	0.2
131.04918	1.9
132.10181	1.3
133.02806	0.2
133.06505	0.2
133.10474	0.1
134.03612	1.5
135.77251	0.1
147.04395	0.8
148.05232	0.1
149.02327	0.4
149.05952	3.4
150.11214	1.0
157.06441	0.1
159.04344	0.3
159.08199	0.1
161.02316	0.3
161.05986	0.1
162.03090	12.1
163.03661	0.2
177.05432	2.9
185.05923	0.2
189.05376	0.3
190.02576	21.8
191.01413	0.1
191.02921	0.6
193.04935	2.0
203.06964	0.2
205.04927	100.0
206.05278	2.1
213.05391	0.3
217.08597	0.2
218.21120	0.4
219.21320	0.1
245.08069	1.6
246.07553	0.3
262.23776	5.1
262.26572	0.2
263.09106	26.9
263.24075	1.8
264.09479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12645	0.5
51.02385	0.8
53.03925	1.0
55.01864	6.5
67.05498	0.6
70.06584	1.9
77.03915	1.0
81.03416	0.6
81.07072	1.1
82.85517	0.6
87.04483	1.1
91.05459	3.7
95.04965	2.7
97.02871	1.0
102.72829	0.7
103.05478	1.1
104.99249	3.0
105.03378	11.7
105.04484	1.1
105.07025	1.7
107.04910	0.8
109.10141	0.6
115.03976	0.7
115.05439	8.6
116.06249	1.2
117.07014	3.3
119.04964	0.9
119.08569	0.7
120.08064	1.0
123.04407	0.6
128.06206	6.2
129.06992	41.1
130.07390	0.6
131.04961	3.5
131.08563	6.7
133.02840	100.0
133.06453	6.7
134.03165	1.3
141.06990	2.7
143.04915	9.7
144.05661	1.9
145.06458	1.8
147.04376	2.8
147.08020	2.3
156.05650	0.9
157.06480	40.6
158.06938	0.6
159.08034	0.6
161.02960	0.8
161.05951	6.1
171.04376	0.6
171.07950	0.9
175.07526	15.9
185.05959	16.6
189.05412	2.2
192.10364	0.6
201.05475	0.6
203.07005	16.5
203.08842	1.1
217.08575	49.3
218.08755	1.0
231.06490	31.5
232.06868	0.9
233.07971	0.7
263.09122	2.0
263.13913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0912
Annotation	Nigrolineabiphenyl A
Peak:m/z	Relative Intensity
55.01866	3.0
55.05492	4.4
57.03406	2.3
57.07058	1.9
65.03954	2.1
67.05486	5.1
69.03413	2.0
69.07046	3.2
70.06569	3.5
77.03936	2.8
79.05491	8.4
81.07028	9.0
83.04967	2.5
85.06518	2.5
88.79600	1.5
91.05478	14.2
93.07021	8.4
95.04943	5.8
95.08603	8.3
97.06509	4.8
103.05457	79.2
104.99255	5.5
105.03385	9.4
105.07020	35.9
107.08563	10.2
109.06503	4.1
109.10133	6.4
111.08051	2.4
115.05402	6.7
117.07006	6.4
119.08556	8.3
121.06506	17.0
121.10116	3.7
123.08065	4.7
123.11678	2.2
128.06187	3.9
129.06975	16.3
131.03952	3.6
131.04912	58.2
131.08562	8.3
133.02835	81.4
133.06462	9.0
133.10129	5.5
134.03136	2.2
135.04456	1.8
135.08035	35.8
135.11667	3.9
141.06985	1.7
143.08563	3.1
144.05740	2.8
145.06485	3.1
147.08009	7.8
147.11714	4.9
149.13182	2.4
155.05930	1.9
157.06465	99.0
158.06819	2.4
159.08034	8.9
159.11667	2.8
160.05170	2.1
161.02873	1.8
161.05957	37.0
161.09608	2.5
161.13240	2.6
163.07512	50.7
165.05467	12.1
171.04382	4.8
175.07513	32.9
175.11067	2.6
185.05957	68.0
186.66428	1.7
187.07559	3.2
189.05466	10.3
189.09082	7.2
193.08476	2.0
199.14777	2.4
202.15872	1.7
203.07001	100.0
204.07455	2.9
207.10120	2.7
213.05417	3.1
216.13724	2.0
217.08546	18.7
221.08020	6.3
231.06509	23.9
235.09619	2.7
245.08011	5.3
245.11646	2.4
245.15231	1.9
245.19093	2.3
263.09113	76.7
263.12360	3.6
263.16467	7.2
263.20224	3.1
263.23560	3.5
264.09521	2.3
264.15875	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	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
54.58863	1.0
55.01847	1.6
55.05258	1.6
55.05506	17.5
57.03461	1.2
57.07070	19.6
65.03923	1.7
67.05498	97.6
68.05825	2.0
69.07063	19.6
69.60688	2.8
69.61079	2.0
71.04983	1.8
71.08624	10.7
78.58263	1.1
79.05486	26.1
81.07048	100.0
83.04974	2.7
83.08611	16.8
85.06541	5.4
85.10154	3.7
91.05473	25.4
93.07035	28.9
95.04949	4.2
95.08596	91.4
97.06503	11.1
97.10167	9.4
98.23460	2.4
99.08085	4.8
104.99258	14.2
105.04494	1.4
105.07027	15.8
107.08588	18.2
109.06519	2.6
109.10146	46.2
111.08069	7.2
111.11674	1.7
113.09615	2.5
119.08569	17.1
121.10131	19.0
122.15445	1.1
123.08049	4.8
123.11697	19.2
125.09591	1.4
127.11189	2.1
133.10118	18.9
135.11674	10.7
137.09607	4.3
137.13245	5.4
141.12741	2.6
147.11667	11.2
149.13219	7.9
151.11200	1.5
151.14812	4.4
155.14313	3.0
156.40898	1.3
161.13240	14.5
163.14813	9.2
165.16391	8.2
175.14848	6.6
177.16351	1.7
179.17961	4.6
181.15857	2.5
189.16371	3.8
203.17970	1.1
205.19550	1.4
217.19479	1.4
234.45535	1.1
245.22629	33.3
246.22925	1.6
263.23700	57.8
264.24005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03922	1.3
55.01856	1.3
55.05505	17.3
56.15892	0.8
57.03424	1.9
57.07071	13.4
62.89020	0.9
65.03928	2.3
65.43701	0.9
67.05498	92.3
69.06705	1.6
69.07058	18.4
69.42369	4.0
71.04989	2.7
71.08630	7.6
79.05047	1.6
79.05482	22.2
81.07047	100.0
83.04959	1.7
83.08614	14.6
85.06535	5.1
85.10174	3.5
87.90701	0.9
91.04935	1.5
91.05473	19.0
93.07036	23.9
95.04944	4.4
95.08595	86.4
96.08913	1.1
97.06516	9.7
97.10133	4.6
98.23459	2.1
99.08068	7.0
104.99265	21.6
105.07012	12.3
107.08589	14.3
109.06524	1.8
109.10142	42.1
109.10889	2.0
111.08103	5.5
111.11708	1.6
113.09624	4.1
119.08548	11.5
121.10130	16.1
123.08028	3.7
123.10896	1.2
123.11694	16.3
125.09550	1.3
127.11208	1.7
133.10104	14.6
135.11682	9.7
137.09608	3.3
137.13225	8.1
141.12721	2.1
147.11664	10.2
149.13235	8.1
151.11147	2.3
151.14795	8.9
155.14264	1.6
161.13255	9.3
163.14777	7.4
165.16397	8.2
175.14798	6.0
177.16336	1.4
179.17955	2.6
181.15839	1.4
185.91061	1.1
189.16364	2.4
191.17960	1.0
203.17862	1.7
217.19536	1.8
245.22620	27.1
263.23679	62.1
264.24042	2.3
273.96884	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	1.3
55.01864	0.8
55.05499	15.2
55.29969	0.6
57.03417	1.1
57.07066	10.9
65.03925	2.9
67.05492	83.2
68.05815	0.8
69.07051	15.7
70.95537	1.4
71.04970	1.2
71.08625	7.4
73.84085	0.8
77.03896	1.0
77.91265	0.9
79.05031	1.6
79.05476	22.5
81.07041	100.0
82.07372	1.3
83.04967	2.2
83.08601	13.5
85.06523	4.2
85.10146	2.8
91.04935	1.5
91.05465	18.5
93.07033	22.9
95.04945	2.2
95.08587	84.0
97.06520	6.3
97.10163	7.4
99.08072	5.3
103.08321	0.7
104.99245	6.0
105.07012	11.3
107.08573	14.0
109.06498	0.8
109.10136	42.7
110.10518	1.1
111.08070	4.9
111.11695	1.4
113.09625	2.6
117.30759	0.7
119.08566	10.5
121.10130	14.8
123.08058	1.8
123.11681	19.3
125.09573	1.3
127.11121	1.4
131.46133	0.7
133.10114	15.2
135.11656	9.6
136.12022	0.9
137.09583	3.1
137.13231	9.1
141.12675	1.6
147.11642	9.6
149.13229	8.5
151.11105	0.9
151.14778	7.4
154.28827	0.9
161.13216	9.5
163.14771	7.1
163.15762	0.7
165.16347	7.3
167.14313	1.0
174.92664	0.8
175.14787	6.1
177.16342	0.9
179.14214	0.9
179.17923	2.4
181.15939	1.0
189.16360	3.5
203.18117	1.2
216.86858	0.8
217.19560	1.1
219.21022	0.8
224.30484	0.8
245.22606	28.4
246.22932	0.8
263.23660	68.2
264.24084	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	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01863	0.7
55.05503	17.0
57.03427	1.3
57.07066	14.9
58.11064	0.6
65.03934	2.5
67.05495	88.2
68.05826	0.8
69.03419	0.6
69.07056	17.2
69.07438	0.8
69.46297	3.1
71.04972	1.7
71.08617	7.8
71.20414	0.7
77.03912	0.7
79.05481	23.5
79.05945	1.2
81.07045	100.0
82.07393	1.4
83.04957	1.9
83.08609	13.5
85.06525	5.0
85.10158	3.1
91.05472	17.9
93.06437	1.4
93.07031	25.5
95.04950	1.8
95.08592	87.8
96.08948	1.1
97.06508	8.2
97.10155	7.1
99.08070	5.9
104.99267	7.1
105.07015	13.9
107.08575	14.5
109.06503	1.6
109.10139	44.3
111.08052	5.8
111.11697	1.2
113.09628	3.0
119.08565	12.7
121.10129	17.9
123.08042	2.4
123.11687	17.4
125.09614	1.1
127.11166	2.5
133.10101	16.9
135.11679	9.8
137.09625	2.8
137.13232	8.5
139.11185	0.7
141.12749	3.1
147.11649	11.6
147.12714	1.1
149.13234	8.8
151.11172	2.0
151.14784	7.0
155.14323	1.4
161.13235	12.8
163.14799	8.0
165.12708	1.1
165.16353	10.5
175.14780	7.4
177.16345	1.8
179.17876	4.8
181.15781	1.8
189.16380	3.9
189.17778	0.6
201.29947	0.8
203.17917	1.3
217.19513	1.1
219.21046	0.9
245.22603	35.0
263.23663	75.6
264.24118	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	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03939	1.1
53.41426	0.4
55.01860	0.8
55.05503	18.0
57.03428	2.2
57.07067	15.3
57.07526	0.4
65.03920	2.5
67.05495	88.5
68.05820	1.4
69.07060	17.0
71.04984	1.3
71.08623	7.7
74.25730	0.5
77.03907	1.1
79.05482	22.3
80.05839	0.6
81.07046	100.0
82.07370	1.6
83.04968	2.1
83.08608	15.2
85.06535	4.8
85.10165	4.6
91.05469	18.4
93.06439	1.2
93.07033	23.8
95.04966	2.7
95.08593	86.9
96.08921	1.1
97.06516	7.9
97.10153	6.9
99.08069	6.3
100.08444	0.4
104.99259	6.5
105.04510	1.0
105.07011	14.4
107.08578	15.9
109.06522	2.1
109.10142	44.0
110.10532	0.7
111.08070	5.3
111.11698	1.3
113.09631	3.5
119.08556	13.9
121.10126	17.9
123.08069	3.6
123.11691	16.8
125.09646	0.7
127.11189	2.9
133.10103	15.6
134.10461	0.5
135.11676	11.3
137.09596	2.6
137.13243	6.0
139.11186	0.9
141.12738	2.6
145.10170	0.6
147.11670	9.9
149.13229	8.0
150.28976	0.5
151.11172	0.8
151.14792	7.8
155.14279	0.9
161.13245	12.6
163.14787	7.4
163.16032	0.9
165.12691	0.5
165.16383	11.0
167.14272	0.8
175.14790	7.2
177.16431	1.2
179.14450	0.6
179.17921	4.2
181.15898	1.2
189.16354	3.7
191.17918	0.6
193.15944	0.7
203.17914	1.8
217.19456	1.5
221.18910	0.6
245.22617	32.3
246.23022	1.2
263.23666	60.9
264.24002	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.2
57.03430	2.3
57.07066	14.8
62.08127	1.1
65.03934	2.7
67.05496	83.9
68.05833	1.5
69.07061	21.6
69.61269	4.4
71.04986	1.6
71.08621	9.4
79.05487	25.2
81.07047	100.0
82.07403	2.0
83.04973	2.4
83.08608	16.9
85.06525	4.8
85.10172	4.2
88.33004	1.1
91.05469	20.4
91.15379	0.9
93.07033	25.1
95.04936	2.5
95.08592	88.1
96.08950	1.1
97.06519	13.1
97.10140	7.6
98.22737	2.1
99.08072	4.5
104.99269	12.4
105.07025	15.2
107.08580	13.3
109.06448	1.9
109.10143	43.3
109.10884	2.5
111.08053	4.5
111.11744	1.4
112.79429	1.3
113.09608	2.6
119.08566	15.6
121.10126	18.4
123.08056	4.8
123.11691	19.6
125.09627	1.7
127.11128	2.9
133.10115	20.2
135.11678	11.5
137.09605	3.6
137.13225	6.4
141.12758	3.1
143.14253	1.2
147.11655	11.6
149.13243	7.3
151.11211	1.5
151.14813	5.7
155.14301	3.1
161.13255	13.9
163.14792	8.9
165.16371	7.9
175.14792	7.8
177.16328	2.3
179.17949	4.5
180.57024	1.1
181.15881	1.2
189.16353	2.7
203.17947	2.0
245.22629	35.2
246.22955	1.4
263.23679	61.7
264.24008	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	264.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27174	0.6
55.21770	0.6
56.96559	100.0
67.92361	0.6
67.98182	0.7
71.95248	0.8
72.96045	1.3
74.97597	1.4
83.97617	2.0
91.05466	0.8
96.25294	0.6
98.97572	16.3
116.98614	7.4
122.07170	4.1
134.99658	2.1
144.02083	0.8
144.04773	1.0
144.96823	1.4
149.02727	0.7
162.03145	2.0
165.02248	2.2
167.03770	1.4
176.03822	20.3
177.02307	0.7
178.05373	35.6
178.91605	0.6
183.03264	5.4
192.03329	1.6
194.04860	5.2
196.06438	17.6
201.04311	4.3
204.03253	10.2
208.02798	4.1
210.04376	1.4
219.03313	0.8
222.04352	83.5
223.04651	1.7
226.03821	1.8
240.05402	64.5
241.05864	1.3
245.05864	0.9
264.05399	17.6
264.12207	1.4
267.14981	0.7
282.06467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0864
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
55.01847	4.7
69.03419	6.9
79.05479	5.7
81.04509	5.1
83.40240	5.1
91.05457	8.0
93.07025	6.1
97.06502	6.2
105.06995	5.4
111.59791	4.7
117.07043	6.5
122.07117	16.8
129.06967	7.3
131.04904	63.9
131.08473	4.5
144.04802	5.5
144.08080	5.2
145.06416	6.8
158.05914	24.3
159.06752	7.2
162.05328	4.4
172.07625	5.5
173.05933	6.3
175.07558	5.0
186.05475	47.8
200.07043	18.5
210.49574	4.7
218.08093	100.0
218.29662	4.8
233.11589	5.9
246.07602	95.1
248.06337	5.2
257.05734	4.1
264.16162	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	265.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05792	1.5
68.99792	2.7
69.88617	4.6
77.03928	1.5
78.04711	2.3
79.05505	7.4
86.09697	1.4
87.89713	1.6
89.03918	5.2
90.04721	4.5
91.05476	16.8
91.92797	1.3
95.04977	4.4
101.03913	4.6
102.04711	4.8
103.05460	25.5
104.06255	3.8
105.03366	1.6
105.04466	1.8
105.07006	9.0
106.04205	1.8
107.04951	3.0
108.05669	1.7
115.05454	23.6
116.06199	1.6
117.03326	2.6
117.07000	1.6
118.04173	18.7
119.04990	8.5
121.06517	1.8
122.07181	2.5
129.03362	15.9
130.04147	2.3
131.04906	14.6
131.29550	1.7
132.05690	6.0
133.02927	2.1
133.06476	55.7
134.03625	5.2
135.04425	6.8
143.04945	5.2
145.02838	8.2
145.06474	5.1
146.03624	11.7
147.04405	5.2
148.05173	8.8
149.05984	5.2
150.18196	1.5
157.02847	11.0
159.04378	14.9
160.05148	7.6
161.02290	2.6
161.05962	25.2
161.07167	2.5
162.03133	5.3
163.03879	3.7
163.07570	6.1
173.02379	10.9
173.06021	5.9
174.03151	3.5
175.03899	95.0
175.07417	9.1
176.04631	8.9
177.05492	11.0
187.03889	5.5
188.04723	2.8
189.05440	32.4
191.03398	5.8
191.06995	14.3
203.03299	1.7
203.07008	54.3
204.04147	9.4
205.04964	18.6
206.05794	2.4
219.06506	100.0
221.08110	11.6
233.04437	26.4
233.06546	2.8
247.05986	37.5
265.06927	12.1
280.22614	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78403	10.4
74.72176	3.3
79.05502	5.1
83.92708	3.9
85.00655	4.8
91.05480	8.6
107.08633	4.2
115.05457	28.2
117.07019	45.6
122.07127	19.8
128.06166	4.0
129.06995	7.1
130.04152	4.9
144.04729	6.4
144.05792	6.3
145.06471	100.0
147.08037	6.2
155.06009	20.8
156.05669	21.3
157.06390	5.0
159.08029	9.1
161.05984	8.0
167.07079	4.5
173.05975	94.4
175.07509	5.4
177.08990	3.7
187.07486	5.6
190.06247	41.0
202.06158	4.8
203.07048	22.4
205.08577	69.3
217.08568	52.8
235.09615	7.9
247.09654	4.9
247.27873	4.6
266.16031	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	265.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	4.3
69.72639	12.9
79.05495	3.6
81.03408	3.8
81.04514	6.5
81.07074	3.4
83.04947	3.5
91.05477	11.6
93.07034	6.3
95.04965	4.3
103.05456	5.8
104.10723	6.8
105.07016	3.5
107.04966	7.0
109.06464	3.3
115.05445	33.2
117.06998	45.8
119.08566	6.8
121.06519	4.5
121.10145	4.4
122.07157	42.5
128.06187	5.6
129.06961	6.9
130.04150	3.7
131.04918	3.9
131.08562	7.0
133.06497	3.4
135.08032	5.1
141.07062	3.6
143.04901	6.4
144.04727	9.1
144.05711	4.2
145.06471	92.4
147.04446	3.5
147.08015	6.2
155.04955	4.8
155.06036	17.7
155.07095	2.9
156.05687	17.2
157.06444	8.2
158.07246	3.7
159.04350	3.8
159.07994	7.7
159.11700	4.3
160.05211	4.6
161.05954	8.3
163.11104	7.7
167.07011	6.6
168.98734	3.1
173.05959	100.0
175.07549	7.6
187.07497	12.1
187.11169	8.5
190.06242	52.8
191.03406	5.6
191.06935	3.4
201.12796	4.5
202.06293	4.2
203.06993	16.4
205.04863	6.6
205.06657	5.6
205.08557	80.4
205.12135	7.3
217.08563	52.3
219.10194	4.4
235.09654	5.9
247.09660	7.7
247.13330	3.3
265.08386	7.7
265.10974	8.1
265.14337	5.9
266.15915	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	265.1433
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
55.01870	6.0
55.05510	8.9
59.11908	4.4
59.36352	5.5
65.03939	5.4
67.05496	13.5
68.71898	4.9
68.99780	6.4
69.03429	27.8
71.04964	5.3
76.06710	4.9
79.05486	21.6
81.04533	14.1
81.07045	20.8
83.04976	53.2
83.08586	6.3
85.06554	8.4
86.10245	5.0
87.04488	7.5
91.05468	34.7
93.07039	32.4
95.04961	20.3
95.08629	13.3
97.02898	7.4
97.06540	6.6
98.23521	12.1
104.10751	10.9
105.07009	33.6
107.08572	51.6
109.02889	19.2
109.06509	22.0
109.10169	12.7
111.04420	42.3
111.08099	12.4
113.06009	7.2
114.39710	4.8
115.05457	8.9
117.06997	19.6
119.08525	34.2
121.06498	45.4
121.10113	6.9
122.07137	97.9
123.08081	16.4
129.06989	13.6
131.08566	24.5
133.02835	5.8
133.06451	6.7
133.10115	14.3
135.08037	79.6
135.11674	8.8
137.06015	6.8
137.09587	8.2
143.08545	12.9
144.04800	25.8
144.09349	8.9
145.06479	13.8
145.10123	14.8
146.06013	4.9
146.07274	6.2
147.08047	9.5
149.05988	6.7
149.09624	26.6
151.11252	6.4
153.09122	9.7
158.10922	9.6
159.07990	7.1
159.11691	28.8
161.09586	11.1
163.07547	61.4
163.11186	13.2
165.09093	6.8
171.08028	5.6
172.08835	14.6
173.09630	17.3
173.13248	39.6
177.12762	5.9
183.11629	7.3
185.13194	6.5
186.10408	16.2
187.11156	69.2
189.09198	6.6
191.07024	29.1
193.04956	7.8
194.07259	6.7
201.12685	53.6
205.04865	8.3
205.06583	10.0
205.08598	6.1
205.12210	20.5
211.11163	10.4
219.06589	8.0
219.13823	21.2
229.12198	46.3
233.05963	9.4
247.13232	100.0
254.72804	4.9
265.08575	10.9
265.11078	8.9
265.14282	20.8
266.15964	39.9
273.71576	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	265.2524
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03936	2.7
53.26718	1.9
55.05504	54.9
57.03431	2.9
57.07069	23.7
60.29865	2.1
67.05159	3.7
67.05499	55.3
67.05856	3.7
69.07059	76.7
71.04965	2.3
71.08607	12.0
79.05479	28.8
81.04517	3.4
81.07047	61.6
83.04960	2.1
83.08605	47.3
85.06522	7.1
85.10170	5.3
85.25566	2.0
86.62267	2.0
91.05455	6.5
92.88480	1.7
93.07026	32.0
95.04939	3.2
95.08594	58.9
95.09194	3.9
97.06511	15.5
97.10159	41.1
98.22655	3.6
99.08086	5.9
105.07016	2.5
107.08570	22.7
109.10146	27.6
111.08077	13.9
111.11706	15.7
121.10131	50.7
122.07138	27.4
123.11700	11.6
125.09617	3.5
125.13253	2.8
135.11679	38.0
137.13225	4.3
139.11159	2.8
144.04762	4.5
149.13248	17.7
151.14810	4.5
163.14780	6.0
165.16391	6.7
176.02428	1.8
177.16336	4.6
182.74420	1.7
191.17928	2.2
212.75128	1.9
227.05394	1.8
247.24181	31.3
265.25217	100.0
279.07968	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2524
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03932	2.5
54.66896	1.5
55.05505	68.8
55.05774	3.6
57.03423	3.7
57.07066	29.2
65.03953	2.2
67.05495	89.8
69.07059	96.9
71.04971	5.3
71.08614	15.4
75.35123	1.6
79.05482	43.2
81.07048	94.9
83.04974	3.3
83.08605	58.8
85.06528	5.8
85.10163	7.3
91.05464	7.7
93.07034	49.6
95.04932	2.8
95.08592	85.9
97.06517	28.5
97.10155	40.9
99.08082	2.4
104.99216	2.1
105.07005	3.4
107.07919	2.4
107.08584	29.8
107.96734	2.1
109.10148	40.6
111.08087	16.0
111.11697	17.0
113.09562	3.1
121.10123	71.0
122.07133	21.8
123.11686	14.7
125.09619	4.8
125.13240	3.3
133.30438	1.5
135.11676	51.1
137.13226	7.5
139.11128	4.9
143.14256	2.0
144.04765	7.1
149.13237	25.1
151.14778	7.9
152.80370	1.7
153.12682	1.9
163.14792	8.2
165.16365	6.8
167.14427	1.7
177.16364	3.2
191.17964	3.4
247.24184	52.7
265.25220	100.0
266.25424	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	266.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07031	1.0
55.01858	2.6
59.84510	1.2
69.30430	4.7
69.30831	2.5
70.06589	1.4
70.29758	1.1
71.20589	1.0
77.37347	1.1
79.05492	6.1
91.05490	7.5
95.04958	2.2
96.04466	2.4
97.02865	4.6
98.23361	2.0
103.05457	10.6
104.10731	9.1
105.07020	18.8
105.07703	1.4
106.06531	4.3
107.04924	3.0
114.05502	7.9
115.05441	100.0
116.04980	1.2
116.05762	1.9
117.07001	15.9
119.04942	1.5
119.08549	2.1
121.02817	1.6
122.06016	1.8
123.04420	2.8
128.06189	4.8
129.07019	7.6
131.04909	4.0
131.08563	6.6
132.08063	7.2
133.02859	2.1
133.06476	43.8
134.05992	5.0
135.04424	1.5
135.08028	2.2
141.06976	15.2
142.04131	1.3
143.04918	13.5
143.08531	3.9
144.05669	2.3
145.06459	16.4
146.05971	2.6
147.08038	4.7
148.07544	10.3
149.05949	1.6
151.03871	7.6
151.06177	1.7
152.07024	4.1
155.06009	2.7
156.08031	1.8
157.06479	12.8
157.28636	1.1
159.04387	1.9
159.06763	1.7
159.08032	14.7
160.07556	15.0
161.05963	62.0
163.07361	1.2
168.06532	3.8
169.06433	9.6
169.07558	1.2
171.02966	1.5
171.04390	18.7
175.07518	23.9
178.08589	7.4
184.07507	1.2
185.05986	16.8
187.07533	13.8
188.07022	3.1
189.05444	11.5
195.04379	2.5
202.08592	4.5
203.07016	29.9
206.08043	2.7
213.05432	17.7
220.09610	2.6
221.08051	2.1
221.80566	1.2
230.08098	1.8
231.06482	17.5
248.09111	8.8
265.20346	1.1
266.10175	79.3
266.15970	5.0
267.10507	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	266.1021
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
52.87749	1.6
55.01858	9.1
60.08155	5.1
61.02933	1.5
69.03415	5.3
70.28365	2.2
70.28677	2.2
73.02906	3.1
75.04021	1.6
79.05474	8.6
81.03390	2.4
82.00105	1.7
83.01332	4.0
85.02896	5.6
87.04433	10.4
91.05466	13.7
95.04937	3.4
97.02866	7.7
99.04436	2.7
99.18671	1.6
103.05463	2.4
104.10725	40.5
107.04946	11.1
115.05421	8.4
117.07018	3.5
119.04921	6.2
120.05689	4.0
121.06474	1.7
122.07177	2.2
123.04424	2.2
123.07497	3.2
127.03883	2.1
128.06184	9.2
129.06981	78.4
131.04895	9.8
131.08546	26.2
133.02844	2.3
133.06473	11.2
135.04393	41.6
141.06966	8.8
143.04886	15.8
145.06406	2.0
147.04402	20.5
147.08025	3.1
148.05188	8.3
157.06468	60.6
161.05980	10.5
169.06389	3.2
174.06331	1.8
175.07535	33.2
175.41434	1.9
185.05945	51.0
186.06201	2.5
189.05441	8.0
203.07008	53.7
203.85994	1.7
207.06487	2.6
213.05472	9.4
220.13260	3.6
231.06493	36.8
248.09535	2.6
249.07523	53.6
266.10162	3.8
266.15948	100.0
267.08569	24.1
267.16190	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	266.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
55.68378	0.4
59.04992	0.7
60.04519	11.9
65.03945	0.8
67.67278	0.5
69.24844	2.0
69.25500	0.5
70.02934	4.7
72.08145	0.5
73.06535	0.8
79.05476	0.6
85.02910	0.6
87.02693	0.9
88.03983	59.9
89.04307	0.6
90.63326	0.5
91.05470	87.2
92.05798	1.6
93.07038	0.6
94.07353	0.4
95.08603	0.4
98.23386	1.1
102.05529	100.0
103.05875	1.0
113.02366	0.9
120.08091	5.1
122.07144	0.6
123.04345	0.5
129.06966	1.4
130.04970	1.6
131.08530	0.8
133.03046	1.0
133.06410	0.6
134.99571	0.4
146.05994	1.9
148.06024	56.3
151.03880	1.0
157.06458	1.0
162.66974	0.4
166.08626	2.0
185.05882	0.6
203.07076	0.9
206.08115	2.4
220.09660	6.5
231.06555	0.6
234.07614	1.0
248.09183	0.9
249.07375	0.7
266.09885	1.0
266.21069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1021
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
55.01859	2.3
55.73730	1.4
56.96559	3.5
69.00751	1.5
70.06577	1.7
70.73483	1.8
70.73832	2.4
73.02929	1.8
77.03922	1.4
79.05475	6.4
85.51349	1.3
91.05458	4.6
95.04944	3.0
96.04459	4.0
98.97591	6.9
101.52099	1.3
103.05454	5.7
104.10727	3.1
105.07009	16.2
106.06544	1.7
107.04926	3.0
114.05501	10.1
115.05441	100.0
116.98586	3.3
117.07005	21.6
119.04919	2.8
121.06441	2.1
121.25474	1.5
122.06027	3.0
122.07114	2.8
123.04383	4.0
123.05505	1.7
128.06207	4.4
129.07013	7.6
131.04904	2.3
131.08522	6.9
132.08064	7.3
133.02867	3.9
133.06471	35.8
134.05989	4.3
141.06978	12.5
143.04922	15.2
143.08519	4.4
144.04674	2.2
145.06462	16.1
146.05994	4.8
147.08034	3.7
148.07553	7.7
151.03882	10.2
155.06081	2.0
157.06465	10.2
159.08052	16.0
160.07545	15.5
161.05960	56.1
168.06532	3.9
169.06432	10.6
171.04385	18.7
175.07518	18.8
177.09148	2.1
178.08582	4.9
184.07545	2.3
185.05980	22.7
187.07526	18.6
188.06985	2.2
189.05440	14.4
189.72379	1.5
195.04416	2.6
202.08611	4.9
203.07013	34.5
205.08548	2.1
206.08055	3.5
213.05403	16.8
220.09747	4.4
230.08046	2.4
231.06468	21.3
248.09209	9.1
249.07489	1.9
266.10181	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	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39845	2.4
51.28938	2.2
53.18671	2.1
55.01863	11.6
55.98098	1.9
63.39928	1.9
68.02174	2.4
68.09187	2.1
69.87878	6.8
79.05480	10.5
83.01324	8.1
91.05466	21.3
93.03439	2.3
97.02854	4.7
103.05464	3.2
105.03359	2.9
107.04933	12.1
115.05437	10.2
119.04933	5.5
120.05717	6.2
120.08056	5.9
121.08421	6.2
123.04369	2.3
128.06186	10.0
129.06985	100.0
131.04892	14.0
131.08554	33.0
133.02795	2.9
133.06488	15.9
135.04398	59.1
141.06960	13.3
143.04900	20.2
145.06459	5.3
147.04391	27.5
147.08025	5.4
148.05180	19.9
157.06465	74.9
159.08015	2.5
161.05962	16.1
169.06432	3.4
175.07524	41.5
185.05962	64.9
189.03952	2.4
189.05446	9.2
203.06981	67.5
213.05415	7.8
216.96158	2.9
231.06497	39.8
249.07541	72.6
250.07808	2.8
266.10168	7.8
266.13803	8.3
267.05969	4.4
267.08585	37.7
268.08902	2.5
288.15112	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	266.1021
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
51.11968	2.0
55.01862	14.1
57.88794	1.8
69.08371	4.3
69.08779	9.1
75.49789	2.1
79.05479	31.3
81.03423	2.1
91.05476	13.4
93.04249	2.2
93.07020	3.4
95.04964	7.6
97.02884	18.6
103.05444	6.1
105.03384	6.5
105.07026	2.9
107.04954	8.1
115.05439	1.9
117.07059	2.9
119.08579	3.3
121.06496	9.3
123.04414	36.3
128.06194	2.9
129.06985	51.9
131.04906	5.1
131.08537	19.8
133.02835	59.9
133.06503	5.8
135.04402	9.7
141.06946	3.3
145.06462	4.9
147.08054	18.4
149.05933	8.1
151.02660	4.2
151.03883	76.3
153.05458	3.5
157.06473	55.9
159.08037	13.1
161.05960	10.2
175.07561	23.7
185.05930	17.0
187.07478	2.9
189.05496	2.5
203.07004	33.6
204.54106	2.0
208.69344	2.4
213.05420	3.6
221.08029	19.0
231.06522	10.7
249.07532	100.0
250.07790	2.3
267.08429	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	266.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73551	0.5
55.01866	3.3
60.49237	0.5
63.12352	0.5
64.45976	0.5
72.19971	0.4
74.59414	0.5
77.03918	0.8
79.05480	1.1
91.05450	2.5
95.04987	0.6
97.02871	1.5
104.10720	0.7
105.03380	7.7
105.07079	0.6
107.04970	1.1
115.05465	0.8
119.04934	0.7
120.37437	0.5
123.04475	0.5
128.06200	1.0
129.06995	10.6
131.04942	1.1
131.08548	5.6
133.02834	100.0
133.06378	2.6
134.03156	1.5
135.04404	0.9
141.06993	0.7
143.04901	0.7
145.06433	0.8
147.04359	0.6
147.08022	1.4
157.06474	15.1
161.05960	7.3
175.07518	6.1
185.05939	2.6
193.67798	0.5
203.07010	14.4
213.05437	0.8
214.50630	0.7
221.08084	0.5
231.06496	27.2
232.06871	0.7
249.07562	8.7
266.10214	1.0
266.15918	2.4
267.08676	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.9
58.06609	0.5
59.04986	0.3
60.07862	0.5
60.08155	6.6
61.02914	0.7
69.03422	4.2
69.95332	0.7
71.04971	0.5
73.02905	3.1
76.69511	0.3
78.62954	0.3
81.03414	1.6
83.61420	0.3
85.02898	5.5
87.03964	0.5
87.04462	7.7
89.06711	0.2
89.84631	0.3
90.33963	0.3
91.03912	0.4
97.02899	2.1
98.23388	0.5
99.04440	3.6
103.03938	0.5
104.10729	41.0
109.02885	0.9
115.82807	0.3
127.03927	1.7
129.05441	0.9
233.35991	0.3
266.15945	100.0
267.16339	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.5
53.68697	0.5
57.03433	0.9
58.06601	0.9
60.08160	6.2
61.02921	1.5
65.04514	0.6
69.03421	4.1
69.78428	0.5
70.07392	0.6
73.02908	4.0
81.03411	1.1
85.02891	5.1
87.04448	5.1
87.74845	0.5
97.02888	2.2
98.97562	0.8
99.04443	2.9
104.10734	82.1
105.11074	0.9
109.02873	1.0
119.01916	0.9
127.03904	1.7
131.01860	0.7
143.01888	0.9
145.01608	0.7
161.03011	0.7
163.02673	1.1
164.00333	1.4
164.03076	0.8
171.74150	0.7
206.01427	1.0
206.04141	0.6
209.67024	0.6
248.02475	0.9
266.03433	1.6
266.15955	100.0
267.16232	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	267.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00829	5.3
56.05031	29.2
56.96525	5.6
58.06590	5.9
61.14031	5.0
69.84637	5.0
70.06590	12.4
71.06919	7.6
73.18179	6.0
74.06066	100.0
78.63943	5.5
79.05506	6.6
81.04551	9.3
82.72810	5.2
84.04491	18.2
84.32871	5.1
95.08611	6.4
98.98438	8.4
107.04922	5.8
118.63121	5.0
120.08102	72.0
121.02837	10.8
121.06482	29.0
122.07116	28.0
130.07291	8.7
136.06172	69.8
138.09148	6.6
150.05467	9.6
166.08598	48.7
174.22740	5.5
214.28732	5.7
221.12930	14.9
249.12331	9.8
250.01096	6.0
262.03018	8.3
267.00015	9.4
267.02441	43.2
267.04700	5.5
267.13348	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.0
53.03936	3.3
55.01860	15.1
55.05505	2.0
58.77761	1.3
65.03946	3.7
67.05497	8.8
69.03413	2.1
69.07093	2.2
71.04990	3.2
71.40943	1.7
73.02912	3.7
79.05486	76.0
80.05799	1.7
81.03407	22.3
81.07040	2.4
85.02892	5.4
91.05480	12.1
93.07061	4.0
95.04961	34.2
95.08614	1.8
97.06475	1.8
98.97569	2.0
98.98451	1.4
99.04464	7.3
101.02361	3.0
103.05457	3.1
105.03388	16.3
105.04482	3.8
105.07019	4.6
107.04938	2.6
107.08587	4.3
109.06446	1.8
109.10122	1.5
110.56069	1.3
112.11813	1.5
115.05466	5.8
117.07015	6.1
119.04938	5.0
119.08614	1.6
120.04482	1.7
121.02849	4.1
121.06499	4.9
122.07175	2.6
123.04417	91.4
124.04716	2.2
128.06213	3.8
129.06995	19.7
130.07346	1.8
131.04955	4.4
131.08562	6.0
133.02838	48.6
133.06473	9.3
134.03226	3.1
135.04453	1.6
135.08075	2.9
136.06192	4.8
141.06964	4.3
143.04890	2.7
145.06476	10.4
147.04419	5.5
147.08029	6.2
149.02324	30.4
149.05974	4.9
151.03889	100.0
152.04239	3.5
157.06456	29.9
157.07616	1.9
159.08093	3.8
161.05965	12.4
161.09584	2.3
165.06898	2.0
175.07518	18.8
178.06201	2.4
185.05966	23.9
187.07477	10.1
189.05455	5.6
203.07002	40.3
204.07385	2.8
213.05412	9.7
221.06073	2.5
231.06494	20.5
232.06950	2.3
239.07037	2.0
249.07585	22.4
250.07979	2.6
267.06161	2.8
267.08673	11.7
267.13477	1.6
267.15912	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	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01865	0.4
57.03417	0.5
61.57594	0.1
62.00444	0.2
71.22425	0.2
73.02915	0.2
83.52790	0.2
94.04045	0.6
119.03547	0.9
133.04904	0.2
136.06171	100.0
137.04561	0.4
137.06625	0.8
170.04945	0.2
202.30327	0.2
268.10382	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	268.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51114	1.6
57.67284	1.6
70.55726	4.4
83.24287	1.5
94.92983	2.5
136.94058	9.5
159.60020	1.8
162.95554	6.3
218.51068	1.7
268.98203	100.0
292.97375	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0994
Annotation	diethyl 2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylate
Peak:m/z	Relative Intensity
50.62716	1.5
55.05497	4.5
55.12321	1.5
57.03423	1.7
57.07050	3.9
67.05174	1.8
67.05489	9.5
69.07056	4.1
76.80517	1.4
79.05473	6.9
79.71021	1.3
81.07053	14.3
83.04985	1.8
83.08578	4.1
85.06527	1.6
91.05448	5.7
93.07043	9.6
95.08607	8.1
97.06516	3.3
105.07001	2.6
107.08565	5.1
109.10126	1.7
121.10124	1.9
124.43402	1.3
127.00008	20.7
127.29827	1.6
131.08582	1.7
133.10138	2.2
135.11694	2.0
137.06482	1.5
149.13232	5.0
156.13841	2.9
159.11665	5.2
165.08847	2.2
168.13728	3.1
183.09906	3.2
184.13324	3.1
192.82091	1.7
195.13727	2.2
196.13217	3.1
211.10704	3.3
225.10954	4.2
234.78975	1.4
269.09900	100.0
269.17508	7.5
269.22556	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03936	2.5
55.01848	3.6
55.05503	21.4
57.03427	24.1
57.07057	3.3
65.03922	3.0
67.05495	85.4
69.03409	4.0
69.06699	1.8
69.07060	24.7
69.12875	8.7
71.04976	9.1
74.24756	1.1
77.03891	2.2
79.05481	51.8
81.03408	3.1
81.07044	100.0
83.04964	10.0
83.08608	19.7
83.93333	1.2
85.06542	7.7
91.04942	2.7
91.05470	40.2
93.07034	80.2
95.04951	12.5
95.08016	2.2
95.08591	34.8
97.05955	2.1
97.06515	24.6
97.10168	3.2
99.08065	7.6
105.04519	3.2
105.07003	20.9
107.07915	2.5
107.08575	31.7
109.06522	6.9
109.10134	12.0
111.08062	10.4
117.06999	17.4
119.08552	6.8
121.06446	2.1
121.10114	13.2
121.79457	1.4
123.11677	4.1
125.09630	1.6
125.61023	1.4
127.07493	1.4
129.06976	1.6
131.08548	20.9
133.10112	25.5
135.08037	3.6
135.11664	19.2
136.06096	1.5
137.09557	2.2
143.08516	1.6
147.11682	3.2
148.70430	1.3
149.09584	2.1
149.13240	40.7
151.11130	5.7
152.63710	1.2
153.22879	1.4
157.10118	2.4
159.11670	42.2
161.13203	4.7
167.14325	1.6
168.82344	1.4
169.10060	1.6
171.11653	1.9
177.12738	21.5
179.14334	4.9
185.13197	1.9
195.13770	13.8
211.10762	2.3
213.16428	2.3
237.07401	6.6
251.16328	2.3
251.20026	2.1
253.06825	1.9
269.10034	4.8
269.17410	80.2
269.22235	10.8
270.17810	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03928	3.3
55.01853	2.9
55.05257	1.8
55.05504	22.5
56.21508	1.1
57.03427	34.1
57.07061	4.9
65.03918	2.2
67.05492	78.3
69.03407	1.7
69.07059	33.8
69.95619	3.5
71.04990	7.5
71.08598	1.3
73.02889	1.3
79.05481	48.8
79.66296	1.3
81.03400	2.1
81.07043	100.0
83.04977	10.1
83.08604	19.2
85.06526	7.0
89.20373	1.3
91.05464	21.5
93.07027	74.8
95.04960	10.1
95.08591	27.0
97.06516	15.2
97.10153	3.1
99.08069	4.6
100.11227	1.7
105.04522	2.2
105.07018	12.9
107.08575	38.4
109.06491	4.1
109.10126	9.7
111.08063	8.1
113.09637	1.8
117.06981	9.8
119.08554	5.7
121.06504	2.4
121.10126	22.1
123.07964	1.5
123.11646	2.8
131.08542	12.1
133.10095	10.0
135.08051	2.9
135.11679	9.7
137.06580	1.3
137.09575	4.5
145.10065	1.8
147.11710	3.2
149.09631	1.4
149.13229	48.7
157.10052	3.0
159.11661	19.7
165.09123	2.0
171.11533	1.4
173.13196	2.6
175.14801	1.3
177.12662	9.9
185.13159	1.5
195.13808	9.0
199.14746	2.4
199.62886	1.4
211.10751	6.0
223.07339	1.8
269.11234	4.7
269.17416	33.2
269.22476	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.47429	2.6
55.01868	5.7
55.05503	27.8
57.03429	32.1
57.07062	3.6
67.05495	72.8
68.72585	2.5
69.07069	28.0
71.04968	5.8
79.05484	48.9
80.98360	2.8
81.06563	5.3
81.07047	100.0
82.29947	2.5
83.04977	10.0
83.08609	20.9
85.06523	4.4
91.05470	30.1
93.07029	74.5
95.04954	6.4
95.08590	29.2
96.25577	2.7
97.06517	16.4
104.99279	9.7
105.07027	8.3
107.08589	31.0
109.06463	5.8
109.10170	6.4
111.08069	11.0
117.07014	12.0
119.08602	2.9
121.06509	3.7
121.10120	22.3
123.11666	3.9
131.08549	9.6
133.10103	12.3
135.11665	11.8
149.13237	46.4
159.11684	19.5
174.53253	2.7
177.12700	11.4
195.13850	14.5
211.10799	6.5
211.59457	2.7
269.11295	9.5
269.17374	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.08783	1.6
52.82990	1.6
53.03929	2.2
54.60936	1.5
55.01873	4.0
55.05302	1.8
55.05508	23.4
57.03432	28.5
57.07080	2.7
59.59226	1.5
64.26810	1.8
65.03924	3.7
67.05496	86.5
67.05864	4.1
69.07063	30.2
71.04974	6.2
71.44150	2.1
79.05483	45.0
81.03396	2.8
81.07047	100.0
83.04957	7.4
83.08614	20.8
85.06527	5.4
91.05471	31.3
93.07030	69.1
95.04945	9.7
95.08595	25.7
95.55540	1.7
97.06519	17.4
97.10152	4.4
99.04462	2.1
99.08079	5.0
104.99243	7.4
105.07005	11.5
107.08578	33.5
109.06500	4.3
109.10133	6.6
111.08061	9.1
114.05539	2.1
117.07014	10.2
119.08509	3.1
121.10139	17.6
123.11684	5.8
131.08551	12.6
133.10117	14.2
135.08026	2.1
135.11668	13.5
147.11626	3.2
149.09541	2.7
149.13235	40.2
151.11203	4.0
159.11673	22.3
177.12688	13.1
195.13811	12.5
209.13176	1.8
211.10770	7.5
212.57394	2.2
213.14740	3.4
215.18062	1.9
251.20053	3.1
269.08057	9.3
269.11258	5.0
269.17444	60.6
270.17783	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03948	2.3
55.01882	5.0
55.05504	20.5
57.03433	32.2
57.07077	5.7
65.03945	2.0
67.05496	75.9
69.03443	2.3
69.06694	3.2
69.07056	31.2
69.09979	4.3
69.10397	8.6
70.03055	1.6
71.04982	5.6
79.05484	42.5
81.03383	2.1
81.07046	100.0
82.06553	1.7
83.04978	8.7
83.08611	18.9
85.06544	7.4
91.05472	32.0
93.07032	69.6
93.07594	3.7
95.04954	8.7
95.08594	24.3
97.06521	16.3
97.10181	2.6
99.08086	5.8
104.99265	2.4
105.04506	2.3
105.07014	9.6
107.08585	37.9
107.09252	3.1
109.06510	4.3
109.10161	4.3
111.08064	10.3
116.98571	1.6
117.06997	12.1
119.08610	2.8
121.06495	3.7
121.10128	20.1
123.11646	4.6
127.07501	1.9
131.08562	13.0
133.10126	15.9
135.11658	12.4
139.11183	2.3
147.11671	1.8
149.13228	38.5
159.11655	21.7
170.94176	2.3
177.12741	12.6
181.06506	4.0
188.49786	2.0
195.13760	14.0
211.10818	6.9
269.07962	6.1
269.11490	6.8
269.17392	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03935	2.4
53.28904	1.2
53.62342	1.2
55.01851	3.4
55.05506	20.6
57.03430	38.9
57.07051	5.6
59.76392	1.4
65.03932	2.4
67.05497	77.7
69.06705	2.1
69.07059	32.4
70.07392	1.3
70.55567	3.2
71.04992	8.1
71.08615	1.5
71.13017	1.4
79.05481	53.5
81.03403	1.6
81.07049	100.0
81.26799	1.4
83.04980	10.0
83.08606	20.8
85.06518	5.5
91.05473	20.5
93.07033	73.2
95.04948	12.4
95.08595	26.5
97.06522	15.1
97.10159	2.9
97.60580	1.4
99.08078	5.3
104.99233	3.2
105.04521	2.2
105.07021	9.7
107.08583	38.2
107.24318	1.3
109.06495	5.5
109.10128	5.1
111.08085	8.3
113.09621	2.1
117.06998	7.8
119.08543	5.2
120.08999	1.4
121.06475	1.9
121.10122	23.9
123.11683	3.3
124.17325	1.4
131.08556	10.6
133.10114	9.0
134.59505	1.3
135.08035	3.7
135.11650	13.2
136.06160	2.1
137.06494	1.9
138.98401	2.2
139.11179	1.6
147.11627	2.2
149.13239	50.5
150.85039	1.3
157.10043	1.8
159.11690	21.4
164.99933	2.1
167.14337	2.2
177.12706	8.0
195.13823	14.1
201.03563	1.7
206.96492	1.4
211.10696	7.1
249.45456	1.5
251.07288	6.9
265.28482	1.3
265.55264	1.4
269.08276	7.3
269.11240	4.1
269.14621	2.8
269.17404	48.6
269.22626	10.2
270.17673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03925	2.5
53.85955	1.4
55.01860	3.8
55.05507	22.4
56.05018	1.7
57.03430	37.5
57.07060	5.2
65.03935	1.6
67.05494	79.3
69.07057	37.1
69.23891	7.9
71.04977	6.1
71.08628	2.0
71.28868	1.2
73.02890	2.0
77.03905	1.7
79.05480	46.3
79.05943	2.3
79.06467	1.4
81.03382	2.6
81.07043	100.0
82.07380	1.7
83.04966	9.2
83.08611	19.8
85.06538	7.3
91.05459	25.7
92.18517	1.3
93.07029	74.8
95.04971	7.4
95.08593	24.7
97.06517	17.3
97.10167	2.7
98.62115	1.5
99.04404	1.8
99.08061	4.2
104.99225	1.8
105.04523	1.7
105.07019	12.7
107.08571	38.3
109.06508	2.8
109.10144	6.2
111.08061	9.5
113.05979	1.4
113.45522	1.5
114.05520	1.6
117.06999	11.2
119.08553	3.8
121.06522	2.0
121.10122	24.9
123.11706	3.6
129.06958	1.6
131.08545	12.8
133.10109	10.9
135.08051	3.4
135.11688	12.0
139.11147	2.1
143.08525	1.3
145.10159	1.6
147.11668	2.4
149.13228	57.0
151.11153	1.9
157.10074	2.6
159.11681	23.1
161.13199	1.8
167.14305	1.3
171.11557	2.0
177.12724	11.1
183.11401	1.6
185.13135	1.8
195.13759	13.8
199.14917	1.5
211.10757	4.7
232.72116	1.4
251.20013	1.6
266.80399	1.3
269.11188	4.3
269.17398	39.5
269.22549	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	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03936	2.7
53.16197	1.7
53.32645	1.9
55.01857	3.1
55.05504	21.6
57.03429	27.6
57.07064	3.6
65.11951	1.6
67.05498	81.8
69.03427	2.4
69.07064	30.8
69.87236	4.9
71.04979	9.7
79.05486	47.2
81.03408	3.4
81.07050	100.0
83.04961	9.3
83.08608	22.2
85.06513	4.1
91.05471	24.7
93.06444	3.9
93.07035	69.7
95.04966	11.1
95.08592	32.9
97.06531	18.0
97.10176	3.9
99.08080	4.0
105.07014	13.4
107.08583	37.0
109.06523	3.2
109.10129	12.3
111.08060	8.8
117.07003	12.0
119.08575	7.8
121.10130	18.8
123.11713	5.9
129.07074	2.1
131.08606	9.1
133.10106	16.0
135.08029	2.0
135.11667	14.8
139.11189	2.0
139.34450	1.7
143.08485	3.2
145.10152	3.8
147.11693	2.3
149.13231	39.1
151.11180	4.3
157.10048	3.5
159.11694	21.8
161.13290	3.2
168.11604	1.6
171.11613	2.1
172.37437	1.9
177.12714	7.4
185.13271	2.7
187.14812	2.7
195.13821	12.7
211.10826	3.3
213.16455	4.0
230.89430	2.0
244.21338	1.9
251.20030	2.2
268.88004	2.0
269.11328	5.7
269.17444	41.2
269.22565	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03931	2.3
55.01855	3.2
55.05261	1.5
55.05505	20.0
57.03432	28.7
57.07060	4.7
60.52802	0.9
65.03916	2.2
67.05496	77.2
69.07063	29.1
71.04970	7.6
79.05483	46.4
81.03413	1.9
81.07047	100.0
82.07363	1.3
83.04970	9.0
83.08609	18.0
85.02893	1.4
85.06526	5.2
91.05469	28.1
93.07034	66.2
95.04956	10.4
95.08601	23.6
97.06512	17.1
97.10141	3.5
99.08057	4.3
104.99194	1.0
105.04517	1.8
105.07012	11.3
107.08583	34.3
109.06504	4.2
109.10140	5.4
111.08079	11.3
113.06023	1.3
113.12688	0.9
117.06996	11.0
119.08540	2.9
121.06537	1.2
121.10133	19.1
123.11662	4.6
131.08548	11.7
133.10124	15.1
135.08049	2.1
135.11681	13.3
139.11133	1.8
147.11707	2.6
149.09586	1.4
149.13240	42.3
149.14442	2.1
151.11154	2.3
159.11682	23.8
161.13242	1.2
165.12717	1.3
167.14270	1.1
177.12721	12.1
195.13782	13.4
211.10767	1.9
213.14804	1.5
220.84474	0.9
269.08170	1.1
269.11423	2.8
269.17426	49.1
270.17752	1.2
276.45389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03918	2.3
55.01855	4.4
55.05507	25.1
56.60680	1.4
57.03429	34.2
57.07054	6.2
65.03922	4.1
67.05495	83.3
67.21037	1.2
69.06708	2.7
69.07059	32.6
69.49377	2.7
69.49742	3.1
71.04981	10.2
71.08619	2.5
77.03922	1.7
79.05483	56.9
79.43471	2.0
81.03413	2.7
81.07048	100.0
82.07360	2.2
83.04967	15.0
83.08617	23.2
85.06511	4.7
91.05471	36.5
93.07035	71.8
95.04968	11.8
95.08591	28.7
97.06509	17.4
97.10149	3.2
99.08040	2.9
104.99268	10.7
105.04500	3.0
105.07024	13.1
107.08575	38.7
107.09251	3.1
109.06451	2.7
109.10130	6.6
111.04456	2.5
111.08071	8.3
117.07003	13.0
119.08546	2.8
121.06480	2.9
121.10110	17.1
123.11665	4.9
125.09529	2.0
131.08563	13.5
133.10123	15.7
135.11667	9.6
136.06250	1.6
147.11671	3.4
149.13234	34.9
159.11681	21.5
161.13220	3.6
177.12727	11.9
179.14293	1.9
195.13783	11.4
209.11693	3.7
211.10707	3.5
241.25195	1.7
251.20110	3.6
269.11337	3.2
269.17413	56.3
270.17780	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.13750	1.6
53.03930	4.6
54.97203	1.4
55.01858	3.0
55.05508	22.8
57.03429	30.6
57.07055	4.1
61.83090	1.7
65.03915	2.8
65.34927	1.5
67.05495	77.4
69.03435	1.4
69.07054	25.3
71.04964	6.5
71.08618	2.1
71.44372	2.4
79.05041	3.3
79.05482	50.3
81.07045	100.0
83.04968	12.2
83.08607	17.9
85.06512	4.1
91.05468	31.9
93.07035	67.4
95.04964	10.7
95.08596	27.8
95.92947	1.6
97.06509	20.5
99.08056	2.9
103.13580	1.9
104.99238	7.6
105.07018	12.8
107.08581	32.2
109.06496	3.0
109.10101	3.7
111.08070	10.8
115.05452	1.8
117.06992	12.0
119.08533	4.1
121.10124	18.6
123.11692	3.2
125.09626	2.2
131.08569	10.7
133.10117	15.0
135.08073	2.5
135.11700	11.2
136.06099	2.1
139.11221	2.0
145.83253	1.8
149.09618	7.9
149.13225	37.0
151.11140	4.2
152.06099	1.8
153.06967	2.6
159.11667	20.1
177.09065	5.7
177.12735	11.9
181.06483	11.9
195.13731	15.1
196.14412	1.8
198.06732	2.2
209.05873	3.4
211.10725	6.6
226.06108	2.6
230.99129	2.0
241.08562	2.6
254.05646	2.0
269.08075	16.3
269.11246	5.5
269.17410	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.44278	1.2
53.03949	3.4
55.01863	3.4
55.05510	24.0
57.03434	30.9
57.07058	5.6
65.03938	3.3
67.05500	83.5
69.07063	28.9
70.16638	2.1
70.16975	2.6
71.04987	8.2
71.08632	1.5
73.02885	1.7
74.44750	1.5
79.05487	52.3
79.05946	2.9
81.03402	1.6
81.07053	100.0
82.47034	1.4
83.04978	9.2
83.08617	18.5
85.06535	7.2
85.41692	1.3
91.05471	27.0
93.07039	76.8
95.04958	11.4
95.08604	29.9
97.06515	18.4
97.10145	2.5
99.08092	4.9
104.99272	9.2
105.04499	2.7
105.07017	10.9
107.08588	36.3
109.06525	4.1
109.10137	5.2
111.08091	8.0
114.05537	1.6
117.07002	10.2
119.08564	4.2
121.06493	2.3
121.10135	21.7
123.11699	3.5
131.08551	15.7
133.10098	12.9
135.08080	1.8
135.11668	14.3
139.11176	2.5
147.11674	2.1
149.09630	3.5
149.13245	39.1
151.11169	2.3
159.11671	20.9
167.14330	2.4
177.12756	12.7
179.14326	1.9
195.13776	16.9
211.10744	4.0
219.27242	1.4
269.08066	4.0
269.11160	3.7
269.17453	52.2
276.86111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.63117	2.1
53.03931	3.3
54.64800	2.3
55.01875	2.5
55.05503	22.2
57.03430	30.7
57.07076	3.3
67.05497	81.5
69.03444	2.2
69.07061	26.8
69.58186	9.3
71.04993	7.9
75.38734	2.3
79.05473	50.9
81.07047	100.0
83.04974	8.9
83.08613	21.0
85.06545	6.1
91.05466	30.6
93.07030	77.1
95.04968	8.9
95.08589	27.7
97.06516	16.3
99.08075	3.1
104.99257	15.9
105.07015	11.0
107.08585	38.4
109.06548	4.9
109.10124	7.1
110.25136	2.4
111.08076	10.3
117.06988	11.3
119.08528	3.5
121.10129	20.1
123.11700	5.6
131.08589	12.3
131.35297	2.2
132.87669	2.5
133.10115	14.5
135.08070	2.5
135.11694	11.4
145.66640	2.6
149.13234	42.1
149.23860	2.4
153.06990	2.6
159.11665	28.9
177.12724	13.0
179.14308	2.3
181.06459	7.8
195.13774	12.9
211.10779	7.2
226.06079	3.8
269.08047	14.2
269.11328	8.3
269.17410	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	269.2109
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
53.03916	3.2
55.01859	8.9
55.05500	45.2
57.03434	15.2
57.07065	5.0
60.01276	3.1
60.15384	3.3
65.03935	4.0
67.05494	83.2
69.07056	47.6
69.37678	10.1
69.38076	6.3
71.04982	7.9
74.70618	3.6
79.05482	44.0
81.06566	4.9
81.07049	100.0
83.04968	9.9
83.08611	28.3
91.05462	20.3
93.07031	52.5
95.04957	6.5
95.08591	83.9
97.06503	12.0
97.10153	20.9
98.23464	6.4
99.08109	5.0
104.99252	10.6
105.07021	11.0
107.08580	29.6
109.06561	3.8
109.10141	41.8
111.08064	5.8
117.07011	8.5
119.08590	10.3
120.50436	2.9
121.10136	31.5
123.11687	19.4
125.09613	10.7
131.08554	11.6
133.10103	15.7
135.11653	17.0
137.09581	6.8
139.11166	6.0
145.10089	5.4
147.11650	4.8
149.13229	23.4
159.11685	11.0
161.73898	3.4
177.12683	6.3
184.34300	3.1
187.13171	3.5
187.14735	3.8
195.13751	8.2
205.19395	4.0
211.10806	9.5
215.18013	16.6
233.18965	16.6
251.20059	68.0
269.11270	5.2
269.17487	11.9
269.21149	5.0
276.42468	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	270.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.9
67.05491	1.6
69.30677	2.6
71.39400	0.6
79.05466	0.9
81.07037	2.0
82.07397	0.6
91.05466	0.9
93.07009	1.1
95.08569	1.3
95.34207	0.6
109.10143	2.1
119.08571	0.6
121.10158	0.6
121.63132	0.5
133.10098	0.8
137.09558	1.3
159.11699	0.7
165.06967	1.6
165.09052	0.6
211.07581	0.6
236.10182	0.6
243.73680	0.6
270.07318	100.0
271.07651	2.5
271.23889	0.6
271.72983	0.6
277.28897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	5.9
59.04991	24.7
70.06561	4.8
70.47343	7.0
70.47690	10.5
71.01353	5.7
75.04464	9.5
84.79927	4.6
85.76385	4.1
87.04452	39.4
98.97585	9.2
103.03931	17.8
125.64559	4.1
131.03336	23.6
133.04958	7.7
136.06175	27.3
137.06567	15.5
138.05482	84.4
138.06581	5.8
152.07051	8.3
161.04474	32.5
173.01228	4.4
191.32477	5.0
217.03403	100.0
235.04437	33.3
252.12283	9.0
264.23514	4.7
270.07346	40.2
270.10092	6.2
270.13208	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	271.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41309	0.4
54.51416	0.4
56.96561	63.1
64.55256	0.4
71.07805	0.9
72.96060	0.6
74.97229	0.4
74.97615	1.5
98.97575	1.2
111.01220	1.0
127.00666	6.8
129.02237	40.1
136.06136	0.5
145.01715	3.8
147.03279	34.2
155.00128	15.0
165.04343	5.2
168.90230	0.4
172.94344	1.0
173.01208	100.0
174.01567	1.2
175.84119	0.4
178.73048	0.4
189.00519	0.6
191.02257	98.4
192.02605	1.1
194.09335	0.6
196.02716	1.0
209.03302	6.0
214.03856	0.9
215.47412	0.4
270.98184	1.7
271.04886	18.1
271.07623	1.8
288.99048	2.0
289.05862	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	271.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	77.0
57.03439	0.6
59.95596	0.5
69.03433	0.5
70.06580	0.7
70.53388	1.2
70.90803	0.5
71.95254	0.5
72.96038	0.6
74.97610	1.7
85.02889	0.9
86.09686	3.7
93.88679	0.5
97.02904	0.6
98.97575	15.6
99.04484	1.0
110.06011	0.7
110.97549	0.9
116.98608	7.7
121.53577	0.5
127.00656	9.3
129.02222	41.3
130.93283	1.7
131.01842	0.8
131.05516	4.7
132.05627	2.5
133.05202	0.8
134.99635	2.8
138.05481	8.6
139.05833	11.5
140.03838	0.6
142.05421	0.8
143.07256	0.8
145.01727	4.7
145.03459	1.1
146.99654	0.8
147.03270	38.0
148.03647	0.6
149.06555	2.3
150.06694	1.6
155.00125	15.3
158.03658	0.6
160.06427	1.3
161.08322	1.2
163.02780	0.5
165.04361	4.3
170.04849	0.9
170.99704	1.2
172.08150	1.2
172.94327	1.8
173.01198	100.0
173.08269	3.2
174.01543	1.4
175.04512	1.8
176.04591	1.6
177.06068	0.7
185.06548	1.1
188.05931	0.5
189.00728	0.9
189.04256	1.4
190.95374	1.5
191.02245	92.7
191.24057	0.5
192.02576	1.2
194.09262	1.4
196.02797	0.9
199.04517	1.0
199.13548	0.9
206.06960	1.2
207.05357	1.0
209.03337	4.8
209.06500	1.3
216.98792	0.7
217.14682	1.4
224.08040	1.7
227.07512	0.8
230.07010	3.4
232.96477	0.7
243.12543	1.1
245.14038	1.5
248.08058	7.7
253.05621	0.9
263.15140	2.2
270.97983	1.6
271.04688	12.0
271.07303	2.1
271.11975	4.2
271.66391	0.5
288.98865	2.7
289.05588	2.8
289.12930	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	60.5
57.03431	0.5
63.75373	0.4
68.53712	0.4
70.06594	0.6
72.08177	0.5
72.96049	0.6
73.02902	0.6
74.97612	1.2
81.07018	0.4
84.08115	0.5
84.90960	0.4
85.02892	0.7
86.09692	0.9
97.02897	0.6
98.97575	4.7
99.04468	0.7
99.10402	0.4
110.07161	0.4
110.97564	1.0
111.01178	0.4
113.49879	0.4
116.98599	2.1
119.01894	0.5
127.00665	6.7
127.03848	0.4
128.98569	0.7
129.02231	36.6
130.02620	0.4
130.92345	0.5
130.93234	2.2
131.05568	0.9
134.99655	0.8
138.05495	6.0
139.04883	0.7
139.05833	8.6
140.06183	0.4
145.01695	4.4
145.03351	0.4
147.03268	30.8
148.03618	0.6
149.01080	0.4
149.06569	0.8
155.00107	12.8
163.02733	0.6
165.04349	3.5
170.99641	0.4
172.94345	2.2
173.01198	95.1
174.01555	0.9
185.06567	0.5
189.00613	0.5
189.54294	0.8
190.95343	2.8
191.02248	100.0
192.02563	1.6
194.09167	1.0
196.02789	1.6
208.96248	0.6
209.03334	5.1
209.06543	0.6
214.03845	0.9
216.98625	0.7
219.01967	0.9
227.07730	0.6
229.05527	0.7
244.96519	0.7
253.03760	0.6
264.95462	0.5
270.98035	1.5
271.04807	15.7
271.07553	4.2
288.98932	4.1
289.05856	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	271.0574
Annotation	Apigenin
Peak:m/z	Relative Intensity
56.20528	0.7
56.26591	0.7
67.47945	0.7
69.66933	2.6
85.14590	0.6
98.23309	1.3
99.20524	0.7
150.55167	0.8
187.61575	0.8
235.36308	0.7
271.05719	100.0
272.06027	2.7
272.08936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53073	0.1
55.01845	0.1
55.05517	0.1
56.37910	0.1
56.93025	0.1
67.01566	0.1
67.01854	1.5
67.05475	0.1
68.99776	1.1
69.17548	0.3
69.17957	0.5
77.36651	0.1
91.05466	1.6
95.04961	0.2
97.87807	0.1
109.02831	0.1
109.10162	0.2
111.00792	0.3
115.07210	0.1
119.04925	4.7
119.08570	0.2
120.19660	0.1
121.02855	1.7
129.01859	0.4
131.04863	0.2
141.06935	0.3
145.01978	0.1
145.02847	1.4
149.05873	0.1
153.01801	9.9
153.06952	0.3
155.08498	0.3
163.03891	0.8
165.06999	0.8
168.05637	0.3
169.06450	0.3
171.02855	0.9
181.06392	0.2
183.07996	0.5
187.03923	0.2
193.06351	0.2
197.06001	0.2
203.06970	0.3
211.07497	0.6
221.05869	0.2
225.05464	0.8
229.04881	0.5
239.07054	0.2
243.06451	0.5
243.10281	0.2
247.05626	0.2
253.04980	0.3
271.05957	100.0
272.06293	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	271.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
65.03943	0.2
67.01860	2.0
68.99780	1.2
69.43095	0.3
69.43483	0.3
70.56870	0.1
81.03410	0.1
81.07095	0.2
91.05479	1.8
95.04929	0.2
104.16909	0.2
109.02856	0.2
119.04933	5.8
121.02838	1.7
125.72591	0.1
127.03922	0.2
129.01831	0.4
141.06953	0.5
145.02824	1.8
152.06250	0.1
153.01811	11.9
153.06943	0.6
154.02103	0.3
155.08620	0.2
163.03873	1.3
165.07010	1.5
169.06454	0.4
171.02863	1.2
181.06462	0.4
183.08005	0.6
187.03891	0.3
193.06456	0.2
196.05081	0.1
197.05952	0.4
203.07037	0.4
211.07529	0.7
221.05911	0.1
224.04848	0.2
225.05380	0.7
229.04884	0.7
239.07098	0.2
243.06433	0.7
247.06186	0.1
248.06642	0.2
253.04858	0.3
271.05975	100.0
272.06311	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	271.0595
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01855	0.1
56.11689	0.0
57.07068	0.1
65.03936	0.2
67.01854	1.9
67.05495	0.1
68.99418	0.1
68.99774	1.3
69.00150	0.1
69.03410	0.1
74.04455	0.0
81.03405	0.1
81.07067	0.1
83.01317	0.1
85.02888	0.0
91.05465	2.0
91.06048	0.1
93.07047	0.1
95.04939	0.1
95.08584	0.1
97.02865	0.1
105.07037	0.1
107.04942	0.1
108.09425	0.1
109.02847	0.2
109.10146	0.1
111.00766	0.3
115.05421	0.1
117.06960	0.1
119.04921	6.0
120.05254	0.1
121.02841	1.8
125.02319	0.1
127.03896	0.2
128.06157	0.1
128.54208	0.0
129.01814	0.4
129.06973	0.1
131.04897	0.1
131.08586	0.1
135.04373	0.1
137.09543	0.1
141.06958	0.3
145.02817	1.6
145.06483	0.1
149.02261	0.1
152.06203	0.1
153.01797	12.7
153.06973	0.3
154.02145	0.2
155.04887	0.1
155.08487	0.2
157.06459	0.1
161.05901	0.1
162.03130	0.1
163.03880	1.2
165.06958	0.7
168.05667	0.2
169.06465	0.4
171.02844	1.4
173.05898	0.1
175.07515	0.1
181.06360	0.2
181.32777	0.0
182.07370	0.1
183.04358	0.0
183.07957	0.4
184.05090	0.1
185.05864	0.1
185.42517	0.0
187.03883	0.5
190.02596	0.1
191.03398	0.4
193.06506	0.1
196.05061	0.1
197.05948	0.4
198.06578	0.1
199.07491	0.1
201.05553	0.1
202.06245	0.1
203.06989	0.2
205.04955	0.4
210.06654	0.1
211.03952	0.1
211.07512	0.4
213.05360	0.1
215.07027	0.1
221.05917	0.1
225.05415	0.7
225.09171	0.1
229.04941	0.6
239.07115	0.1
242.05748	0.1
243.06494	1.0
243.10229	0.1
247.05986	0.2
253.04810	0.2
253.12151	0.1
256.07278	0.1
270.05164	0.1
271.05948	100.0
272.06296	3.6
272.09442	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	271.0585
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.73143	0.2
55.01865	0.4
65.03917	0.3
67.01865	2.0
67.05474	0.2
68.99767	1.6
69.03427	0.2
69.07067	0.2
79.05470	0.9
81.07041	0.8
83.01327	0.4
88.93569	0.2
89.03886	0.2
91.05465	2.6
93.22016	0.2
95.04927	0.4
104.04715	0.2
105.07010	0.3
107.04943	1.0
109.10119	0.2
115.05434	0.4
119.04927	6.1
120.05254	0.2
121.02852	2.0
121.06501	0.5
125.02451	0.2
126.45074	0.2
126.64233	0.2
128.06194	0.3
129.01814	0.5
129.06989	0.4
131.04942	0.5
134.36603	0.2
135.04398	1.4
141.06950	0.6
145.02835	2.3
145.10043	0.2
149.05919	0.3
152.06195	0.2
153.01799	12.5
153.06935	1.4
154.07637	0.3
154.61600	0.2
155.08551	1.6
157.06477	0.5
159.08057	0.2
161.05997	0.3
162.03114	0.6
163.03879	2.9
164.04575	0.2
165.06981	3.3
168.05710	0.7
169.06464	0.7
171.02876	2.4
171.07936	0.2
173.05905	0.3
181.06404	0.9
182.07269	0.5
183.08005	1.9
185.05898	0.3
187.03825	0.5
187.07660	0.2
190.02603	1.2
191.03354	8.6
192.03958	0.2
193.04958	0.4
193.06410	0.3
196.05109	0.6
197.05978	0.7
199.07521	0.3
200.08296	0.4
201.05467	0.3
203.07018	0.5
205.04930	5.8
205.06813	0.4
210.06700	0.3
211.07468	2.2
212.08124	0.4
213.05438	0.4
215.07185	0.2
215.10677	0.3
221.05904	0.5
225.05489	0.9
228.07747	0.7
229.04985	1.2
229.08504	0.2
239.07022	0.8
240.07799	0.3
241.04878	0.4
243.06410	1.0
243.10130	0.4
253.09015	0.2
256.07239	0.7
270.05118	0.2
271.05966	100.0
271.09491	11.1
272.06302	3.3
272.09549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	6-Hydroxyrubiadin
Peak:m/z	Relative Intensity
55.01860	1.2
61.98123	0.4
65.03931	3.1
67.01854	1.0
68.99785	6.9
69.03416	0.9
70.61174	0.6
70.77691	0.5
81.03388	0.7
81.07060	0.8
89.03938	0.6
91.05470	11.0
93.07034	0.9
95.01344	1.0
98.22742	0.6
105.07004	0.6
107.04936	6.2
111.00774	0.7
115.05432	2.0
117.07027	1.1
119.04926	5.0
121.02854	15.5
128.06224	0.7
129.06978	0.8
131.04868	2.8
131.08536	1.9
133.02806	0.7
135.04417	0.7
137.05948	3.0
141.06964	8.6
144.05724	0.7
145.02802	2.6
145.06473	2.2
147.04398	3.7
147.08054	2.7
149.02319	89.9
150.02727	2.0
152.06218	1.5
153.01801	21.7
153.03056	1.0
153.06979	2.2
155.04875	0.9
157.06500	1.5
159.04382	3.1
159.08054	1.5
165.01825	1.1
165.07001	1.1
167.03372	1.1
169.06465	10.4
170.07109	0.6
173.05951	3.1
175.07556	0.8
181.06471	3.6
183.08144	0.9
185.05923	1.6
187.03879	2.3
187.07521	3.7
197.05960	13.7
198.06543	1.0
199.07481	1.9
200.04594	0.9
201.05418	1.4
211.07524	0.8
213.05493	0.8
213.69676	0.5
215.06999	100.0
216.07310	2.3
225.05293	2.5
226.14265	0.8
227.07121	0.8
229.05006	1.0
238.09848	0.9
243.06494	79.6
244.06822	2.8
253.04933	4.0
253.12122	1.0
271.05978	65.3
271.13327	1.6
272.06284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33414	0.2
55.05512	0.3
58.06579	0.3
67.01849	2.5
67.02176	0.3
68.99785	2.0
69.07062	0.3
69.09843	0.4
69.10168	1.7
79.05485	1.0
81.03418	0.4
81.07050	0.6
83.01321	0.3
91.05469	2.1
95.04955	0.5
95.08616	0.4
96.11587	0.2
97.26796	0.3
101.87418	0.2
105.66814	0.2
107.04956	0.6
115.05436	0.3
119.04925	5.1
121.02847	2.6
121.06493	0.7
125.34999	0.3
129.01833	0.5
129.07001	0.7
131.04932	0.5
135.04442	0.3
141.06940	0.4
145.02820	3.4
145.06470	0.3
149.02338	0.6
149.06052	0.3
153.01804	13.0
153.06984	0.9
154.07750	0.2
155.08556	2.0
155.46199	0.2
157.06398	0.6
160.78090	0.3
161.06035	0.5
162.03104	1.3
163.03876	1.6
164.04686	0.7
165.07030	1.8
168.05698	0.5
169.06451	0.7
171.02859	2.2
171.07941	0.3
172.08751	0.4
177.05415	0.3
181.06509	0.5
182.07271	0.3
183.04518	0.3
183.06639	0.3
183.08005	1.7
185.05981	0.9
187.03871	0.5
190.02591	2.3
191.03366	0.4
193.04904	0.8
197.06013	0.6
200.08354	0.6
203.06972	0.7
205.04936	12.3
211.07491	2.0
213.05545	0.6
215.10623	0.7
225.05441	1.4
227.07123	0.5
228.07758	0.9
229.04907	1.7
239.07005	1.1
241.04982	0.7
243.06383	0.9
243.10213	0.8
247.06148	0.4
256.07196	1.6
270.27924	0.9
271.05997	100.0
271.09564	20.6
271.28247	0.4
272.06323	3.4
272.09891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.33456	0.1
53.34285	0.1
55.01849	0.1
55.05504	0.6
57.03417	0.5
65.03946	0.2
67.01859	1.7
67.04043	0.1
67.05494	0.9
68.99774	1.0
69.03385	0.1
69.07053	0.4
70.00175	0.3
70.00536	0.2
71.04972	0.3
73.88490	0.1
79.05484	0.4
81.07048	1.4
83.08615	0.3
91.04932	0.2
91.05467	2.3
93.07005	0.4
93.30499	0.1
95.04955	0.2
95.08586	1.2
95.36356	0.1
97.02840	0.1
97.06518	0.3
98.22706	0.1
105.06998	0.4
107.08571	0.2
109.10150	0.3
111.00793	0.2
119.04923	5.2
119.08588	0.4
120.05280	0.1
121.02028	0.2
121.02850	1.7
121.10123	0.2
123.04387	0.1
129.01797	0.5
131.04945	0.1
133.10129	0.3
134.03683	0.1
135.04385	0.1
137.05963	0.2
141.06973	0.4
145.02814	1.4
152.06213	0.3
153.01796	11.0
153.06935	0.9
154.02177	0.3
155.08510	0.5
157.06403	0.3
161.13248	0.4
163.03888	0.9
165.06990	2.1
166.07312	0.2
168.05698	0.4
169.06453	0.5
171.02864	1.4
171.56548	0.1
181.06456	0.6
182.07240	0.2
183.08002	0.8
185.05901	0.1
187.03862	0.4
193.06454	0.3
194.07076	0.1
196.05095	0.1
197.05983	0.2
201.05493	0.1
203.07013	0.3
207.04250	0.1
211.07504	1.2
215.06975	0.2
221.05972	0.5
225.05354	0.6
225.08978	0.2
229.04956	0.6
239.07086	0.2
242.09335	0.1
243.06485	0.9
247.06076	0.3
253.05016	0.2
265.01883	0.1
270.04834	0.1
271.05951	100.0
272.06299	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	271.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01862	1.8
55.05498	0.8
55.52204	0.2
57.03428	0.4
59.04997	0.3
65.03936	1.5
67.05520	0.3
68.02639	6.9
69.03422	2.6
69.36987	1.3
81.03413	1.0
81.07059	0.9
83.04975	15.8
87.04465	1.1
93.07063	0.3
95.04972	0.4
97.02869	2.0
99.04488	0.5
105.07039	0.3
107.04972	0.3
111.04433	100.0
112.04758	1.0
115.03918	10.4
119.04935	0.3
121.06482	0.5
121.10141	0.4
125.02297	0.3
127.03916	0.3
137.05974	1.8
140.04694	0.8
141.05464	0.4
141.06927	0.3
149.02332	0.4
153.06978	0.6
155.03384	0.3
157.04948	63.4
158.05284	0.9
165.06944	1.4
168.31674	0.2
181.06371	0.4
183.06583	0.3
183.08049	1.0
185.07135	0.4
197.05917	0.4
198.14896	0.4
211.05710	0.4
211.07533	0.9
215.07065	0.4
225.07535	1.3
226.14339	0.5
235.05948	0.3
239.07150	0.4
243.06425	0.4
253.07027	4.0
253.09377	0.4
271.05746	0.5
271.07956	7.3
271.16690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	Pterolinus B
Peak:m/z	Relative Intensity
51.02166	0.1
51.02375	0.3
53.03939	0.3
55.01854	0.7
55.05502	0.5
57.07064	0.2
62.42362	0.1
63.69169	0.1
65.03934	0.3
67.01857	0.3
67.05479	0.4
68.99780	1.4
69.03415	0.5
69.07037	0.2
77.03912	0.5
78.04689	0.2
78.49084	0.1
79.01839	0.1
79.05029	0.2
79.05483	4.5
81.03423	0.3
81.07044	0.3
83.01330	1.5
83.04968	0.2
85.61186	0.1
89.03904	0.3
91.05470	2.3
93.07028	1.5
95.04956	3.2
103.05455	1.0
105.03344	0.3
105.04480	0.9
105.06995	0.7
106.04153	0.7
107.04947	2.4
108.02057	0.2
109.06474	0.3
115.05442	1.3
117.07015	0.3
118.04094	0.2
119.01314	0.2
119.04928	1.5
121.02824	0.6
121.06484	7.4
123.04398	0.7
128.06218	0.8
129.06985	2.4
130.07806	0.2
131.04907	2.4
131.08505	0.2
133.02809	1.3
133.06487	0.5
134.03615	1.6
135.04422	1.0
137.05930	0.3
140.06213	0.2
141.06990	1.4
142.07808	0.7
143.04903	0.3
143.08516	0.4
144.09338	0.2
145.02794	0.3
145.03963	0.2
145.06454	0.8
147.04387	0.9
149.02312	1.8
149.05959	3.3
151.03871	0.4
152.06186	1.1
153.01802	0.5
153.06949	2.7
154.07741	1.3
155.05995	0.3
155.08530	10.5
156.09081	0.2
157.06438	1.3
158.03596	0.3
158.07219	0.3
159.04369	0.5
159.05579	0.2
159.07993	0.4
159.11572	0.1
161.02168	0.3
161.05959	0.6
162.03096	13.0
163.03874	2.5
164.03351	0.2
164.04668	3.6
165.05603	0.2
165.06952	3.3
166.07729	0.2
167.05086	0.2
167.08539	0.4
168.05684	2.4
169.06470	0.8
170.07068	0.2
171.04384	0.6
171.08002	0.7
172.08766	2.2
173.02319	0.2
173.05965	0.5
173.09543	0.2
174.03111	0.2
175.07503	0.3
177.01862	0.5
177.05452	3.8
177.06885	0.2
178.02554	0.7
181.06447	0.9
182.07281	1.2
183.08029	7.2
184.08701	0.5
185.05960	2.4
185.09520	0.3
186.03133	0.4
186.06708	0.3
187.03889	0.4
187.07555	0.3
187.11119	0.7
188.04634	0.4
189.05426	1.1
190.02580	22.4
191.03308	1.1
192.04099	1.0
193.01308	0.2
193.04933	5.7
193.06448	0.3
194.07248	0.4
195.08090	0.3
196.05238	0.7
197.06024	0.7
197.09598	0.3
198.06755	0.2
199.03894	0.8
199.07532	1.2
200.04688	0.4
200.08296	3.8
201.05470	1.2
201.08998	0.5
202.06152	0.4
203.03290	0.2
204.58206	0.1
205.04927	100.0
206.05246	1.9
209.05905	0.2
210.06712	1.0
211.04066	0.3
211.07503	6.9
212.08160	0.5
213.05444	2.6
213.07167	0.1
214.02495	0.5
214.06113	0.4
215.03322	0.5
215.07010	0.5
215.10654	3.6
216.04135	0.3
216.10852	0.2
217.04906	0.6
221.05830	0.3
224.04573	0.7
225.05420	0.2
225.09004	0.4
227.06941	1.4
228.04266	0.6
228.07753	4.3
229.04929	6.1
229.08289	0.9
230.05548	0.5
238.06160	0.5
239.06995	5.4
240.07657	0.4
241.04922	2.4
243.06491	2.4
243.10138	4.0
246.07596	0.5
253.08659	0.2
255.06433	1.5
256.07269	6.4
257.07739	0.2
270.15311	0.1
271.06345	3.9
271.09589	98.8
272.09906	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	271.0962
Annotation	Pterolinus B
Peak:m/z	Relative Intensity
51.02395	0.3
55.01865	0.7
55.05496	0.6
62.62784	0.3
65.03909	0.3
67.05494	0.5
68.99772	1.0
69.03416	0.3
71.43481	0.3
72.04479	0.3
77.03940	0.4
79.05486	3.2
81.07018	0.2
83.01329	0.9
91.05476	1.9
93.07034	1.6
95.04957	2.4
95.99851	0.3
103.05473	0.6
105.03394	0.3
105.04537	0.5
105.07025	0.8
106.04150	0.5
107.04947	1.8
115.05430	1.0
118.00729	0.2
119.04919	1.0
121.02839	0.5
121.06486	6.7
123.04453	0.4
128.06261	0.4
129.06981	0.9
131.04935	2.1
133.02788	0.9
134.03632	1.7
135.04427	0.5
137.05992	0.4
141.06963	0.9
145.06421	0.3
147.04369	0.8
149.02319	1.3
149.05963	3.4
151.03871	0.4
152.06206	0.6
153.01831	0.4
153.06961	2.0
154.07745	0.8
155.08528	7.5
157.06503	1.3
159.08041	0.5
161.05956	0.7
162.03093	12.4
163.03880	2.0
164.04665	2.8
165.06956	2.4
168.05653	1.7
169.06416	0.8
171.04341	0.6
171.08044	0.6
172.08846	1.6
173.05907	0.5
177.01772	0.4
177.05435	3.0
178.02608	0.4
181.06502	0.8
182.07208	0.7
183.04398	0.4
183.08018	5.1
184.08673	0.5
185.05920	1.4
186.03064	0.5
186.06732	0.5
187.03693	0.3
187.11194	0.7
189.05492	0.5
190.02573	19.4
191.03185	0.5
192.04147	0.6
193.04938	4.6
193.06526	0.5
196.05046	0.4
197.05966	1.0
199.03873	1.1
199.07500	0.7
200.04718	0.3
200.08325	3.1
201.05400	1.4
201.09010	0.4
205.04927	100.0
206.05325	2.3
210.06717	0.9
211.07512	5.4
212.08170	0.3
213.05396	1.6
214.02582	0.4
214.06218	0.4
215.03369	0.4
215.07028	0.5
215.10635	3.2
216.11069	0.3
217.04944	0.6
224.04628	0.5
225.09125	0.4
227.06940	0.8
228.04169	0.4
228.07770	3.8
229.04916	6.0
229.08403	0.6
230.05630	0.6
238.06287	0.4
239.07010	4.7
240.07623	0.4
241.04919	2.0
243.06516	1.8
243.10167	3.2
246.07672	0.3
252.09172	0.3
255.06429	1.0
256.07288	5.2
271.06244	4.1
271.09592	85.7
272.09872	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	271.0962
Annotation	3,4
Peak:m/z	Relative Intensity
53.03932	0.3
55.01868	0.4
55.05481	0.2
56.58464	0.2
56.98112	0.2
67.05480	0.3
68.99786	0.2
69.03438	1.0
69.07039	0.3
70.80495	0.2
70.80814	0.3
77.03905	0.4
79.01838	0.7
79.05476	3.2
81.07041	2.7
83.01324	2.1
85.22193	0.2
88.06357	0.2
89.03927	0.5
90.28440	0.2
91.04929	0.2
91.05461	0.8
93.07045	1.0
95.01395	0.2
95.04967	1.4
97.02857	0.6
105.04494	0.5
107.04939	5.0
112.07581	1.2
115.03931	0.5
117.03411	0.5
119.04918	0.8
121.02843	0.4
123.04369	0.3
131.04926	0.5
135.04399	12.1
137.02306	0.5
145.02798	0.6
153.01808	1.7
153.06982	0.5
155.08559	0.4
157.10092	0.2
159.04602	0.2
163.03882	17.2
164.04192	0.3
165.06984	0.9
169.06369	0.3
171.08025	0.3
173.05959	0.2
181.06409	0.3
183.08014	0.8
187.03880	0.4
187.11156	0.3
190.02544	0.4
191.03362	100.0
192.03737	2.1
193.04892	0.3
197.06013	0.2
197.09599	0.3
203.10510	0.3
205.04970	3.3
211.07449	0.6
211.11298	0.2
215.03348	1.0
215.10666	0.4
229.05022	0.5
232.05960	0.7
233.05815	0.2
239.10707	0.3
243.06578	0.3
243.10100	0.2
254.15694	0.7
270.27927	0.3
271.05969	15.2
271.09579	19.0
271.12613	0.7
272.06302	0.7
272.09866	0.6
285.68842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0964
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03913	1.1
55.01864	5.1
65.03935	2.1
67.01841	1.0
67.05489	3.6
69.07056	1.5
70.57587	1.4
71.04984	2.2
79.05499	1.3
81.03403	1.3
81.07043	4.0
83.04938	0.9
91.05471	15.4
93.07043	1.7
95.04956	5.0
95.08605	2.0
103.05467	1.7
105.07027	2.8
107.04940	5.4
107.08597	1.5
109.10137	3.5
111.04401	1.2
111.08035	1.1
115.05437	4.0
117.03335	1.6
117.06951	1.1
118.04127	3.5
119.04926	12.8
119.08563	1.4
121.02810	2.0
121.06509	4.4
121.10104	2.1
123.04399	1.0
128.06224	1.5
129.07011	2.6
131.04968	1.5
133.02805	1.2
134.03615	1.8
135.04362	2.7
137.05969	6.6
137.09583	2.5
140.06197	2.3
141.07007	7.8
144.05719	1.0
145.06505	1.0
147.04411	1.2
149.05949	3.3
150.06766	1.3
152.06177	8.4
153.01801	3.8
153.06976	35.1
154.07709	4.0
155.08524	17.3
157.06516	3.7
159.07980	1.0
165.06979	80.6
166.07379	2.1
167.08601	1.1
168.05699	13.5
169.06497	8.2
170.07233	3.1
171.07951	0.9
181.06477	18.7
181.08011	1.7
182.07246	7.7
183.08035	43.8
184.08347	1.6
185.05991	7.0
193.06293	13.2
194.07230	2.4
194.09193	1.2
195.08105	1.3
196.05161	10.2
197.05992	7.4
198.06604	1.5
199.07494	2.9
200.08298	4.0
207.04398	4.6
209.05959	2.1
210.06740	6.3
211.07509	51.9
212.08264	6.4
213.05417	2.7
221.05945	18.1
225.09052	4.2
227.06927	1.8
228.07764	7.0
239.06958	10.9
240.07512	2.2
241.08554	1.7
242.09372	5.4
243.10104	5.6
256.07190	2.3
271.05984	39.1
271.09598	100.0
272.09848	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0964
Annotation	Pterolinus B
Peak:m/z	Relative Intensity
51.02379	0.3
52.62749	0.2
53.03428	0.2
53.03933	0.3
53.15383	0.2
55.01851	0.7
55.05493	0.8
57.73938	0.2
59.41463	0.2
65.03930	0.3
67.05489	0.3
68.27422	0.2
68.99772	0.9
69.03423	0.4
69.53171	0.7
69.53544	0.4
77.03918	0.6
78.01354	0.2
78.79439	0.2
79.05488	3.8
81.07057	0.3
83.01327	0.9
84.16665	0.3
89.03894	0.2
91.05457	1.6
93.07014	1.2
95.04951	2.5
103.05437	0.5
105.03394	0.3
105.04476	0.6
105.06992	0.6
106.04133	0.3
107.04940	2.3
109.06519	0.3
115.05443	1.2
119.04906	0.9
121.02865	0.4
121.06484	5.2
123.04411	0.8
128.06212	0.8
129.06999	2.1
131.04921	1.4
133.02818	1.0
134.03621	1.1
135.04399	1.1
141.06978	1.1
142.07799	0.3
143.04951	0.3
143.08514	0.5
144.05679	0.3
145.02814	0.4
145.06398	0.3
147.04367	0.7
149.02335	1.8
149.05946	1.9
151.03867	0.6
152.06213	0.8
153.01825	0.3
153.06975	3.0
154.07730	1.3
155.08528	10.5
156.09113	0.3
157.06473	1.2
157.10104	0.3
158.03638	0.3
158.07216	0.4
159.33113	0.2
161.02371	0.3
161.05913	0.7
162.03104	8.0
163.03876	2.8
164.04665	3.1
165.05598	0.4
165.06966	3.1
167.08478	0.5
168.05673	1.9
169.06514	1.0
171.04402	0.5
171.08073	0.4
172.05211	0.3
172.08812	1.6
173.05945	0.3
173.09554	0.4
177.01778	0.4
177.05437	2.5
178.02592	0.9
181.06429	0.8
182.07266	0.9
183.08035	7.0
183.15718	0.2
184.08659	0.3
185.05940	2.2
186.03111	0.3
186.06740	0.3
187.03879	0.4
187.11139	0.6
188.04643	0.3
189.05499	1.0
190.02583	14.2
191.03363	1.4
192.04152	1.1
193.04945	5.6
193.06421	0.3
195.08057	0.3
196.05124	0.5
197.05971	0.6
197.09546	0.4
199.03883	0.7
199.07558	1.1
200.04610	0.4
200.08299	3.7
201.05457	0.9
201.09062	0.7
205.04932	69.1
206.05244	1.8
209.05988	0.2
210.06743	0.6
211.04128	0.4
211.07513	6.3
212.08282	0.6
213.05443	2.2
214.02568	0.3
215.03435	0.5
215.07043	0.6
215.10643	3.4
216.04091	0.4
217.04964	0.3
224.04607	0.5
225.09096	0.5
227.06982	1.8
228.04175	0.6
228.07782	4.5
229.04933	5.6
229.08591	0.6
230.05713	0.3
238.06287	0.3
239.06979	4.8
240.07549	0.5
241.04924	2.5
243.06497	2.6
243.10144	3.9
246.07585	0.3
255.06398	1.1
256.07275	6.3
257.07669	0.3
271.09601	100.0
272.09927	3.5
272.25870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
51.02388	0.3
53.03936	0.4
55.01858	0.4
55.05489	0.9
65.79428	0.3
67.01820	0.3
67.05498	0.6
68.99784	0.9
69.03412	0.6
70.06824	0.9
71.75035	0.3
78.04699	0.4
79.05492	3.6
83.01321	0.8
88.07626	3.2
91.05467	1.8
93.07021	1.0
95.04953	2.3
103.05477	0.4
105.04501	0.4
105.07024	0.7
107.04947	2.3
107.30521	0.3
115.05457	1.1
117.06994	0.4
119.04935	0.9
121.06490	3.5
123.04413	0.7
128.06268	0.5
129.07005	1.9
131.04904	1.0
133.02844	1.1
133.06470	0.4
134.03635	0.8
135.04413	0.9
141.06993	1.1
142.07721	0.4
143.08507	0.4
145.06406	0.6
147.04393	0.6
149.02328	1.7
149.05978	2.1
151.03944	0.5
152.06200	0.8
153.06979	2.9
154.07773	1.5
155.08534	9.8
157.06424	1.4
157.10068	0.4
159.04396	0.6
159.08110	0.5
161.05957	0.4
162.03111	5.6
163.03911	2.3
164.04666	3.4
164.30624	0.3
165.07014	2.8
168.05727	1.7
169.06485	0.8
171.04384	0.5
171.08064	0.5
172.08752	1.6
173.02281	0.3
173.06058	0.5
177.01845	0.7
177.05473	1.7
178.02542	0.3
181.06477	0.9
182.07291	1.3
183.08026	5.6
185.05940	2.0
186.03029	0.4
187.07532	0.6
187.11211	0.7
189.05449	0.6
190.02577	11.1
191.03387	0.9
192.04092	1.1
193.04964	5.6
193.06563	0.6
195.08026	0.4
196.05206	0.5
197.05940	0.8
197.09526	0.4
199.03908	0.7
199.07542	0.9
200.08325	3.4
201.05452	0.9
201.09059	0.5
205.04944	56.8
206.05234	0.9
211.07545	6.2
212.08224	0.5
213.05447	2.4
214.02553	0.5
215.03421	0.7
215.10623	3.4
216.04172	0.4
217.05022	0.9
224.04727	0.6
227.07054	1.2
228.04199	0.6
228.07768	4.0
229.04919	3.9
229.08411	0.6
238.06104	0.5
239.06973	5.0
241.04955	1.8
243.06511	2.1
243.10153	3.5
255.06465	1.3
256.07266	5.5
270.27917	1.4
271.09616	100.0
271.28226	0.5
272.09967	3.0
272.29547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	6,7-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.05500	1.0
57.07061	1.3
65.03907	0.6
67.05480	1.0
68.99772	0.6
70.26972	0.9
71.08609	0.6
79.05483	4.4
81.07037	1.2
83.01310	0.6
85.24992	0.5
88.47405	0.4
91.05474	1.6
91.78703	0.4
93.07037	1.3
95.04955	3.1
95.08594	0.8
105.04518	0.7
105.07014	0.5
107.04941	1.8
107.08596	0.4
108.02039	0.4
109.06473	0.4
109.10117	0.4
112.18333	0.4
115.05441	1.2
119.04908	1.1
121.06506	4.1
123.04446	0.6
127.59956	0.4
128.06206	0.5
129.06981	2.3
131.04887	1.6
131.08530	0.5
133.02815	1.1
134.03616	0.6
135.04378	1.2
139.53159	0.4
141.06978	1.3
143.08504	0.5
144.19493	0.4
144.24998	0.5
145.02803	0.4
145.06464	0.4
147.04369	1.3
149.02336	1.6
149.05948	1.5
151.03914	0.4
152.06204	1.1
153.01773	0.9
153.06972	2.8
154.07761	1.4
155.08545	9.3
157.06540	1.0
158.07256	0.5
159.04463	0.4
161.05940	0.9
162.01868	0.5
162.03119	7.4
162.11398	0.5
163.03923	2.3
164.04686	3.3
165.06972	3.5
166.42796	0.4
168.05734	1.7
169.06464	0.9
171.04417	0.7
171.08110	0.5
172.08827	1.4
177.05472	2.4
178.02567	0.5
181.06459	1.1
182.07310	1.1
183.08012	6.3
185.06036	2.0
187.07515	0.9
187.11150	0.9
189.05408	0.6
190.02586	11.9
191.03346	0.6
192.04163	0.7
193.04938	6.3
193.06577	0.7
196.55101	0.5
197.06021	0.8
199.03909	0.8
199.07564	0.9
200.04504	0.7
200.08272	3.8
201.05481	0.8
205.04936	60.1
206.05302	1.3
210.06769	1.1
211.07497	7.0
212.08301	0.8
213.05415	2.6
214.02348	0.5
215.03249	0.5
215.07175	0.5
215.10695	3.7
217.05074	0.6
224.04668	0.7
225.07080	0.5
227.07047	0.8
228.07751	4.5
229.04955	5.3
239.06981	4.3
241.04976	2.4
243.06563	2.6
243.10202	3.8
255.06468	1.4
256.07269	6.5
270.28629	0.6
270.31442	3.3
271.06238	4.7
271.09604	100.0
271.31757	1.0
272.09897	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	271.0966
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
51.02387	0.2
53.03938	0.4
55.01864	0.6
55.05502	0.6
65.03918	0.2
67.05489	0.5
68.99778	0.8
69.03416	0.4
69.07063	0.2
69.72462	0.7
72.03068	0.2
77.03928	0.4
79.05486	3.7
81.07041	0.4
83.01323	0.9
85.70575	0.2
86.06082	0.2
91.05470	1.7
93.03395	0.2
93.07041	1.1
95.04959	2.3
96.02742	0.2
100.01041	0.2
100.07603	0.4
103.05460	0.4
105.03376	0.3
105.04508	0.5
105.07015	0.2
106.04169	0.5
107.04955	2.5
109.06461	0.2
111.04414	0.2
115.05433	1.2
117.06980	0.2
119.01311	0.3
119.04921	1.0
121.02845	0.4
121.06494	4.1
123.04398	0.7
128.06171	0.8
129.06995	1.8
131.04913	1.4
133.02814	0.9
133.06491	0.3
134.03632	1.1
135.04430	0.9
137.06010	0.3
140.06136	0.2
141.06996	1.2
142.07755	0.3
143.04932	0.4
143.08551	0.5
144.09294	0.2
145.02809	0.4
145.06488	0.6
147.04417	0.5
149.02324	2.0
149.05962	2.3
151.03879	0.7
152.06197	0.7
153.01843	0.4
153.06987	3.0
154.07785	1.5
155.04926	0.3
155.08546	11.1
156.08923	0.2
157.06468	1.4
157.10149	0.2
158.03616	0.2
158.07288	0.3
159.04395	0.5
159.07991	0.3
161.05962	0.7
162.03107	7.1
163.03902	2.8
164.04666	3.7
165.05603	0.4
165.06989	3.3
166.07674	0.2
167.08505	0.4
168.05685	2.1
169.06467	0.8
169.10127	0.2
171.04417	0.4
171.08032	0.6
172.05170	0.2
172.08786	1.8
173.05896	0.5
173.09525	0.2
174.03297	0.2
175.03972	0.2
177.01807	0.5
177.05489	2.4
177.07005	0.3
178.02576	0.5
181.06454	1.1
182.07239	1.3
183.08041	6.5
184.05162	0.3
184.08725	0.5
185.05954	1.8
185.09546	0.3
186.03117	0.6
186.06691	0.5
187.03862	0.4
187.07646	0.3
187.11163	0.9
188.04666	0.3
189.05399	0.8
190.02586	13.1
191.03339	0.9
192.04175	1.2
193.04953	5.7
193.06451	0.3
195.08063	0.2
196.05186	0.6
197.05972	0.9
197.09589	0.3
199.03874	0.8
199.07585	0.9
200.04738	0.3
200.08310	3.6
200.59024	0.2
201.05461	1.5
201.09029	0.3
202.02596	0.2
202.06168	0.3
203.07117	0.3
205.04947	60.1
206.05368	1.3
209.05951	0.4
210.06758	0.7
211.07515	7.2
212.04836	0.2
212.08176	0.6
213.05429	2.3
214.02687	0.3
214.06143	0.3
215.07051	0.4
215.10648	3.5
216.04158	0.3
217.04878	0.5
223.09277	0.2
224.04657	0.5
225.05353	0.2
225.09038	0.3
227.07021	1.5
228.04172	0.7
228.07797	4.4
229.02689	0.3
229.04944	5.3
229.07320	0.3
229.08476	0.7
230.05528	0.5
237.05437	0.3
238.06268	0.4
239.07018	5.6
240.07846	0.4
241.04956	2.7
243.06500	2.4
243.10147	3.8
253.08278	0.2
254.24812	0.4
255.06487	1.4
256.07278	6.6
270.27780	0.2
271.09616	100.0
272.09924	2.9
272.25772	0.4
284.83157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0964
Annotation	6,7-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03935	0.5
55.01861	1.1
55.05503	0.6
67.05493	0.6
68.16085	0.4
68.99773	0.5
69.03380	0.8
69.74063	1.4
79.05480	4.4
80.86858	0.4
81.07063	0.7
83.01330	0.8
85.10661	0.4
91.05460	1.4
93.07039	1.0
95.04967	2.3
101.61834	0.4
105.04499	0.7
105.06986	0.6
107.04946	2.7
114.47942	0.4
115.05410	1.0
119.04930	1.0
121.06496	3.9
123.04399	0.7
128.06197	0.6
129.06982	1.6
131.04912	1.1
133.02846	1.0
134.03557	0.6
135.04387	0.6
141.06956	1.0
142.07787	0.5
143.08566	0.6
149.02328	2.0
149.05945	2.4
151.03883	0.7
152.06139	0.7
153.07001	2.5
154.07799	1.2
155.04860	0.5
155.08542	9.9
157.06461	1.2
161.06042	0.6
162.03088	7.1
163.03909	2.5
164.04665	4.5
165.06970	3.1
166.80540	0.5
167.08554	0.6
168.05704	2.7
169.06404	0.7
171.07976	0.9
172.08807	2.4
177.05481	2.1
181.06491	0.9
182.07237	1.6
183.08041	8.0
184.08763	0.7
185.05945	1.4
187.03903	0.9
188.04570	0.4
190.02596	12.1
192.04184	1.3
193.04971	5.5
197.05899	0.6
199.03847	0.5
199.07564	0.9
200.08325	3.8
201.05418	0.8
201.08940	0.5
204.90219	0.5
205.04936	58.1
206.05350	1.5
210.06689	1.0
211.07510	6.7
212.08083	0.6
213.05457	2.6
215.03500	0.6
215.10664	3.5
217.05064	0.5
224.04649	0.7
227.07031	0.9
228.07745	3.8
229.04970	4.6
230.05579	0.5
239.06973	5.6
240.07640	0.5
241.04926	1.8
243.06509	2.1
243.10066	4.2
255.06502	1.2
256.07260	7.0
271.06412	3.5
271.09607	100.0
271.27972	0.6
272.10025	4.8
272.25894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0964
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03934	0.5
55.01857	0.6
55.05498	0.6
67.05513	0.5
67.89330	0.3
68.99779	0.9
69.03419	0.4
69.78764	0.7
69.79086	0.4
71.91966	0.3
77.03922	0.4
79.05490	3.4
82.01498	0.3
83.01338	0.7
83.04955	0.4
91.05467	1.5
93.07040	1.1
95.04955	2.5
95.37449	0.3
98.23377	0.7
103.05450	0.3
105.04482	0.7
106.04188	0.3
107.04939	2.5
113.61930	0.3
115.05401	1.5
119.04926	1.0
119.69582	0.3
121.02851	0.5
121.06493	3.3
123.04387	0.7
128.06157	0.6
129.06987	2.1
131.04904	1.3
133.02872	1.0
133.06502	0.4
134.03633	0.8
135.04395	1.0
137.78027	0.3
140.06221	0.3
141.06943	0.9
142.07692	0.6
143.08546	0.5
144.05684	0.3
144.09293	0.5
145.02841	0.5
145.06462	0.7
147.04364	0.4
149.02315	1.7
149.05968	2.2
151.03931	0.8
152.06160	0.8
153.06966	3.0
154.07750	1.2
155.04904	0.4
155.08543	10.8
157.06451	1.5
161.05978	0.6
162.03101	6.9
163.03912	2.9
164.04651	3.7
165.06970	3.5
166.07741	0.4
167.08548	0.6
168.05690	2.0
169.06456	0.7
171.04308	0.4
171.08044	0.6
172.08821	1.6
175.07428	0.4
177.01842	0.4
177.05431	2.4
178.02626	1.0
180.61406	0.4
181.06419	0.7
182.07268	1.4
183.08022	6.8
185.05959	2.0
186.02966	0.3
187.03999	0.3
187.07515	0.5
187.11214	0.5
189.05380	0.9
190.02599	12.3
191.03148	0.8
192.04153	1.4
193.04944	5.8
193.06549	0.6
196.05092	0.4
197.05954	0.7
199.03874	0.8
199.07553	1.1
200.04811	0.4
200.08301	3.8
201.05493	1.1
201.08928	0.7
205.04944	59.1
206.05278	1.3
206.34006	0.5
210.06758	0.4
211.07509	6.2
212.08195	0.5
213.05453	2.3
214.02545	0.5
215.07115	0.7
215.10658	3.5
217.04985	0.8
224.04628	0.6
225.08995	0.6
227.06944	1.6
228.04137	1.0
228.07767	4.3
229.04951	3.9
229.08495	0.5
230.05605	0.6
239.07025	5.7
241.04883	1.7
243.06615	1.6
243.10143	4.2
255.06490	1.1
256.07260	6.1
271.09616	100.0
272.09998	3.4
272.29504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	37.5
57.07065	9.7
62.47322	8.1
69.07079	10.4
70.57512	9.6
79.05470	10.1
79.18594	8.3
81.07035	16.6
82.67243	7.5
91.05471	11.6
95.08559	9.8
107.08548	11.6
107.24202	7.8
116.98460	40.8
119.08559	8.9
128.98450	17.9
131.00017	100.0
131.08455	7.9
133.10068	9.6
140.98425	33.9
143.00005	56.3
146.99536	19.9
149.01062	10.8
153.99257	8.1
154.99982	11.7
157.01596	11.9
158.99457	12.5
159.08055	11.7
161.01082	36.3
162.36296	7.9
165.06984	9.9
166.99988	11.2
170.00729	7.7
170.99429	15.0
171.03017	9.1
174.99008	84.5
177.00528	9.1
181.01535	10.4
185.01068	34.2
189.00539	87.8
199.02550	20.5
203.02061	72.0
210.43440	7.5
215.02144	8.1
217.03790	15.9
229.03604	13.6
241.07318	11.5
241.11069	31.6
253.11139	51.7
259.12161	21.4
271.05743	25.1
271.08408	87.5
271.11996	52.9
271.16763	15.9
271.23984	11.7
272.25833	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	271.1439
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
57.07069	2.1
58.06586	2.2
63.43948	0.9
67.05486	1.8
71.08620	1.4
72.02207	0.9
79.05496	1.9
80.04985	1.2
81.07037	1.1
82.31670	1.0
87.04448	2.9
93.04482	1.0
93.05759	1.8
94.06568	1.1
95.04936	1.1
96.08114	4.8
100.07573	2.7
104.07076	1.3
106.06522	2.9
108.08105	14.9
118.06578	1.0
119.73394	1.0
120.08128	1.1
122.09641	1.6
136.07579	1.7
147.06784	1.2
154.91374	1.0
155.08521	1.4
157.10043	1.2
165.06870	1.0
168.08066	7.5
169.08879	5.3
169.10062	1.0
170.09627	2.3
172.07657	2.0
174.09122	2.7
181.10118	2.4
182.06015	1.5
182.09526	2.1
183.08003	1.2
183.10406	10.7
185.10692	2.3
186.11450	2.4
196.07599	5.8
197.08369	12.0
198.09242	2.5
198.12766	8.1
199.08609	12.1
199.12360	2.1
200.13095	1.8
206.19786	1.1
208.11153	1.3
210.09077	2.4
210.11275	1.3
211.09883	20.7
212.09538	2.4
212.23759	2.8
213.10182	19.1
214.10889	6.0
215.15413	6.0
225.13876	0.9
226.12242	42.6
227.11749	22.3
228.12563	33.1
241.09770	2.9
241.13368	1.4
241.41296	1.1
242.10416	3.4
243.14903	31.4
253.13336	5.2
254.11755	2.5
254.24692	4.2
255.11218	21.5
256.12021	32.0
257.12457	1.6
271.05923	4.2
271.14377	100.0
272.14648	2.7
272.25775	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	271.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43279	0.7
55.01864	2.9
55.05505	2.2
57.03425	1.0
65.03935	0.9
67.05504	6.0
67.21620	0.5
69.03415	2.9
69.07059	2.8
70.06601	1.4
71.04984	3.3
71.44392	0.7
79.05475	4.1
81.03427	0.6
81.07045	5.6
83.04991	0.8
85.02870	0.9
85.06534	1.0
89.03843	0.6
91.05477	6.9
93.07026	6.8
95.04976	3.3
95.05439	0.6
95.08598	4.1
97.02889	1.8
97.06525	0.9
99.04436	0.9
105.07037	2.5
107.04935	2.1
107.08567	2.5
109.02853	1.1
109.06470	1.2
109.10147	10.1
111.04398	1.5
111.08057	0.6
111.66879	0.6
112.07574	0.9
115.03931	0.9
115.05431	1.6
116.07079	2.2
118.04168	0.8
119.04916	4.6
119.08543	1.7
121.06478	1.9
121.10152	5.4
123.04457	0.9
123.08060	0.9
128.06171	0.9
129.07031	1.4
131.08585	1.2
131.41010	0.6
133.06380	0.6
133.10130	0.7
134.03610	1.4
135.08029	0.6
137.05959	2.7
137.09604	10.4
140.06171	1.1
141.06970	4.0
143.98863	0.6
145.06482	0.7
145.10132	0.9
147.04393	1.5
149.05954	1.4
149.09557	1.2
149.29192	0.6
150.06677	0.8
152.06139	2.8
153.01790	1.8
153.06970	13.1
154.07683	1.5
155.08549	6.6
155.10588	1.1
157.06459	1.7
161.13246	0.8
165.06989	32.4
165.09047	6.5
167.10687	1.0
168.05708	4.4
169.06490	2.9
179.04854	0.8
181.06467	7.7
181.35614	0.7
182.07265	3.3
183.08028	16.8
185.05954	2.3
187.07556	0.9
193.06334	6.4
194.07137	0.9
195.07945	0.9
196.05164	2.8
197.05942	2.0
199.07449	0.7
200.08260	2.5
207.04440	1.9
209.05827	0.7
210.06686	2.3
211.07532	18.1
212.08113	1.8
213.05440	1.8
213.09003	0.9
221.05907	6.6
225.09131	2.0
227.06969	0.6
228.07755	2.3
239.06999	4.3
242.09343	2.1
243.10143	1.9
253.08571	1.0
256.65967	0.7
271.05954	14.2
271.09613	36.3
271.15103	100.0
272.06219	1.3
272.10010	1.7
272.15469	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03943	2.5
54.34057	1.0
55.01847	3.2
55.05504	41.4
57.03429	29.2
57.07065	2.7
60.22021	1.1
65.03939	2.5
67.05497	54.1
69.03418	2.3
69.07061	30.7
69.28371	4.7
71.04990	11.9
79.05480	26.7
79.07961	0.9
81.07047	87.9
82.07420	1.0
83.04971	4.3
83.08612	21.8
85.06531	11.0
86.38254	1.1
86.59603	1.0
91.05470	21.7
93.07034	23.0
95.04958	3.3
95.08595	100.0
96.08927	2.2
97.06525	16.8
97.10152	6.8
98.23469	2.0
99.04401	1.1
99.08082	4.7
101.06000	1.3
105.04522	1.2
105.07023	19.7
107.08579	9.9
109.06521	3.9
109.10139	15.0
111.08076	6.3
111.08708	1.2
113.09645	1.8
115.05530	1.0
115.07553	1.4
117.06969	1.6
118.07965	1.2
119.04933	1.4
119.08563	22.0
121.10100	5.9
123.08077	4.5
125.09607	1.4
130.57845	1.2
131.08493	2.5
133.10103	16.3
135.11694	9.0
137.09615	3.0
137.13226	5.6
141.06992	1.3
145.10001	1.5
149.13231	1.3
155.08510	1.5
159.11746	1.5
161.13222	26.8
162.13617	1.5
165.06975	1.2
179.14290	14.0
187.14917	1.6
197.15331	1.9
211.07469	1.5
253.17926	3.6
271.05920	13.7
271.09946	1.8
271.19012	59.3
271.24237	3.2
272.19482	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	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26616	0.7
55.01857	0.9
55.05500	11.9
57.03427	9.2
57.07056	1.2
67.01836	1.6
67.05494	18.6
68.99771	1.6
69.07061	11.8
70.40519	1.2
71.04982	4.5
75.73779	0.6
79.05488	7.0
81.07044	27.6
83.04949	1.2
83.08604	5.5
85.06538	3.7
91.05468	10.1
93.07019	8.3
95.04955	2.0
95.08591	33.2
97.02833	0.7
97.06515	5.4
97.10130	2.2
99.08062	2.4
105.07011	7.4
107.08580	3.4
109.06505	0.8
109.10142	3.9
111.08038	1.4
113.09586	0.9
116.03010	0.7
117.06976	0.6
119.04918	4.6
119.08556	7.6
121.02834	1.0
121.10126	1.4
123.08044	1.7
126.87408	0.6
129.01767	0.6
133.10091	5.1
135.11650	2.9
137.09566	1.5
137.13216	2.5
138.82434	0.7
141.87398	0.8
145.02823	1.0
153.01811	11.0
153.06908	0.8
155.08401	0.7
155.30243	0.7
159.08006	0.7
161.13242	9.7
163.03911	1.1
171.02855	1.4
179.14268	4.6
211.07523	1.1
226.12178	1.2
243.14784	0.8
253.04866	0.7
253.17909	0.9
271.05960	100.0
271.19003	20.6
271.24057	1.4
272.06351	5.3
272.19232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.01271	0.2
55.01860	0.4
55.05497	0.3
57.15385	0.2
65.03940	0.5
67.01856	2.3
67.05487	0.5
68.99773	2.2
69.03421	1.7
79.05467	0.7
81.07032	1.0
83.01302	0.6
83.04961	0.4
91.05466	7.6
93.06998	0.4
95.04953	2.6
95.08615	0.5
96.37754	0.2
97.02847	1.1
98.97566	0.4
103.05449	0.4
105.04476	0.2
105.06997	0.5
107.04937	2.3
107.08549	0.4
111.00768	0.7
111.04391	0.2
113.76157	0.2
115.05440	0.3
116.98618	0.4
119.04926	17.6
121.02849	0.3
121.06513	1.6
121.25454	0.2
123.04416	4.9
125.02331	0.3
129.01860	0.2
129.06958	0.4
131.04889	0.5
131.08516	0.3
133.06451	0.4
133.10110	0.2
134.03587	0.3
137.09500	0.2
141.07037	0.3
143.04944	0.5
143.08643	0.2
145.10010	0.3
147.04385	44.5
147.11650	0.2
148.04744	0.7
149.05951	1.3
151.03932	1.1
151.07555	0.4
152.06155	0.4
153.01801	100.0
154.02174	1.4
157.06497	0.4
157.10043	0.3
159.04446	0.3
161.06001	0.3
162.03085	1.5
163.03896	0.5
169.06607	0.3
171.02910	3.2
171.04315	0.5
177.05492	0.3
179.03392	0.9
181.06529	1.1
182.07285	0.3
188.04700	0.3
189.05438	1.5
190.02608	1.9
191.03316	1.3
193.04875	0.2
198.06729	0.4
199.03896	0.9
203.06943	0.4
205.04932	11.8
207.06628	0.2
213.05434	0.6
213.09061	1.0
217.04840	0.3
219.06529	1.0
231.06514	1.7
241.08562	0.9
255.06625	1.0
255.10188	0.3
255.17397	0.3
273.07532	66.7
273.10925	4.6
274.07849	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05502	0.3
56.91754	0.2
59.52938	0.2
68.99773	0.7
69.03408	0.4
69.67021	0.8
69.67371	0.4
72.07984	0.2
77.03910	0.4
78.04715	0.3
79.05494	0.4
81.07034	0.3
83.01342	1.7
91.05473	1.9
93.07028	2.0
95.04958	0.5
102.49021	0.2
103.05447	0.9
106.04180	0.5
109.06447	0.4
115.05466	0.4
119.04921	0.5
120.84373	0.2
121.02868	0.4
121.06499	6.6
122.25536	0.2
131.04926	2.6
133.06454	0.3
134.03616	1.8
143.04977	0.3
147.04401	0.7
149.02310	0.6
149.05960	3.4
159.04419	0.6
161.02423	0.3
162.03110	13.6
163.03493	0.3
167.81944	0.2
171.04356	0.3
171.87242	0.2
177.05449	2.7
190.02600	24.3
191.02907	0.5
193.04979	0.3
199.03862	1.4
204.82158	0.3
205.04950	100.0
206.05305	2.7
217.04955	0.3
219.06503	2.1
231.06496	0.4
246.07657	0.5
273.11191	8.7
274.11447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1118
Annotation	5-O-Methylalloptaeroxylin
Peak:m/z	Relative Intensity
55.01865	0.4
55.05486	0.5
63.72084	0.2
67.01870	0.3
67.05481	0.3
68.99771	0.7
69.03416	0.4
69.51773	0.8
70.06587	0.2
77.03918	0.4
79.01819	0.3
79.05474	1.5
81.07035	1.7
83.01299	0.9
91.05473	2.4
93.07033	1.8
95.04935	0.8
95.08613	0.2
103.05459	1.1
104.05653	0.2
105.03363	0.4
105.04514	0.3
105.07010	0.9
106.04143	0.5
107.01265	0.3
107.04956	0.3
109.06456	0.4
111.04417	0.5
115.05415	0.8
117.07014	0.4
119.04924	0.9
121.02827	0.2
121.06492	6.5
123.04411	2.1
128.06149	0.4
129.06989	0.6
131.04922	3.7
131.08554	0.3
133.02777	0.3
133.06432	0.6
134.03593	1.8
135.04437	0.2
137.06010	0.2
139.03804	0.2
142.07707	0.5
143.04924	1.3
143.08517	0.3
147.04398	1.1
147.07997	0.8
149.02307	0.4
149.05968	3.2
152.06184	0.3
153.06812	0.2
157.06514	0.5
157.10060	0.6
159.04395	1.7
160.05130	0.6
161.02303	0.3
161.06038	1.0
162.03098	13.9
163.03810	0.2
163.07533	0.2
171.04391	1.8
173.05884	0.2
174.03197	0.3
175.03932	0.5
175.07553	1.0
177.05447	2.4
181.06424	0.6
183.08012	0.2
185.02364	0.5
185.09583	0.5
187.03928	0.4
188.04660	1.0
189.05429	1.4
190.02579	20.2
191.03143	1.0
191.06926	0.3
193.04977	1.2
194.00987	0.3
198.06685	0.4
199.03886	4.8
199.07561	0.4
199.11266	0.2
201.05312	0.4
202.02443	0.4
203.03389	0.5
203.06944	1.8
205.04933	100.0
206.05289	2.5
212.04587	0.5
213.05432	1.3
213.09021	1.3
216.04240	1.0
216.07724	0.3
217.04953	1.2
219.06473	5.9
229.04976	0.8
231.06493	4.9
231.10016	0.5
241.08510	1.6
243.06516	0.4
244.07307	0.4
245.08061	0.9
255.10208	0.3
273.07584	1.0
273.11169	17.3
273.18298	0.6
274.11560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1119
Annotation	5-O-Methylalloptaeroxylin
Peak:m/z	Relative Intensity
53.03946	0.3
55.01858	0.6
55.05502	1.2
55.76747	0.3
57.07079	0.4
60.45874	0.4
65.03934	0.3
67.01868	0.3
68.99794	0.7
69.14890	2.1
74.67609	0.3
77.03912	0.6
79.05479	2.1
81.07043	2.8
83.01332	1.1
89.03912	0.4
91.05488	2.4
93.07012	1.6
95.04945	0.8
103.05453	1.1
105.07006	0.9
107.04970	0.3
115.05448	1.4
117.06973	0.5
119.04918	1.1
119.08585	0.5
121.02853	0.4
121.06483	5.6
127.69510	0.3
128.06177	0.4
129.06966	0.8
131.04903	4.5
133.02832	0.5
133.06462	0.8
134.03624	1.4
141.07013	0.6
142.07738	0.9
143.04910	2.0
143.08679	0.3
145.06490	0.5
147.04385	1.1
147.08026	1.1
149.05957	3.2
153.01801	1.4
155.02310	0.4
157.06470	0.5
157.10127	1.0
159.04396	2.0
160.05186	0.5
161.02342	0.5
161.05957	1.0
162.03105	12.2
163.03778	0.4
163.07568	0.7
170.07321	0.5
171.04381	3.5
172.04927	0.3
173.05946	0.4
174.03104	0.8
175.03810	0.6
175.07500	1.4
177.05431	2.1
178.02492	0.4
181.06401	0.4
185.02312	1.0
185.05904	0.7
185.09589	1.3
187.03876	0.6
188.04639	1.9
189.05406	2.4
190.02585	19.1
191.03149	0.7
191.06967	0.4
193.04987	2.2
198.06798	0.6
199.03862	7.6
200.04387	0.5
201.05486	0.6
202.02664	0.6
203.03453	0.4
203.06972	2.6
204.04106	0.6
205.04935	100.0
206.05283	2.2
212.04625	0.6
213.05460	2.0
213.09041	2.2
216.04155	2.1
216.07628	0.4
217.04912	2.0
217.08463	0.4
219.06476	9.0
226.06270	0.7
229.04980	1.2
231.06494	9.1
231.10025	0.5
241.08546	3.3
242.09073	0.4
243.06482	0.7
244.07332	0.6
245.08154	1.8
245.11728	0.4
273.06696	5.9
273.11160	28.5
274.11530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1119
Annotation	5-O-Methylalloptaeroxylin
Peak:m/z	Relative Intensity
53.03920	0.3
55.05483	1.1
57.07047	0.5
57.41510	0.3
66.85468	0.3
68.53047	0.3
68.99769	1.1
69.03394	0.6
77.03922	0.4
78.97881	0.3
79.05476	2.6
81.07048	3.8
83.01315	1.4
91.05468	2.9
93.07014	1.4
95.04933	1.1
98.22637	0.9
103.05446	1.5
105.06993	1.0
115.05400	1.8
116.98582	0.3
117.07001	0.4
119.04916	0.7
121.02843	0.4
121.06484	6.5
128.06187	1.0
129.06989	1.0
131.04918	5.3
131.08588	0.3
133.02866	0.6
133.06445	0.7
134.03606	1.4
135.07991	0.4
141.06960	0.7
142.07762	1.3
143.04903	2.4
143.08521	0.4
145.06448	0.5
147.04385	0.8
147.07982	1.2
149.02388	0.3
149.05946	3.0
149.84053	0.4
153.06985	0.9
155.06032	0.4
157.02882	0.6
157.06438	0.7
157.10074	1.1
159.04393	2.2
159.08040	0.5
160.05196	0.8
161.05949	1.2
162.03111	13.0
163.07512	0.7
170.71918	0.3
171.04370	3.1
172.05093	0.6
174.03104	0.6
175.03842	0.7
175.07556	1.6
176.04675	0.4
177.05455	3.1
181.06532	0.6
185.02269	0.6
185.05894	0.5
185.09569	1.6
187.03828	0.7
188.04678	2.2
189.05417	2.2
190.02586	17.9
191.07002	0.7
193.04938	3.0
195.08083	0.8
198.06758	0.7
199.03868	8.6
201.05403	0.6
202.02536	0.9
203.03317	1.0
203.06978	3.1
205.04932	100.0
206.05281	2.4
212.04626	0.8
213.05525	2.1
213.09012	2.7
215.03369	0.7
216.04088	2.0
217.04861	2.4
217.08420	0.4
219.06494	9.8
220.06943	0.5
229.04877	1.6
230.05641	0.4
231.06482	9.1
231.10046	0.5
232.06880	0.4
240.07764	0.4
241.08574	3.5
243.06317	0.8
244.07300	0.9
245.08090	1.7
255.10078	0.5
258.08823	0.6
273.11172	27.4
273.18491	0.7
274.11319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1119
Annotation	5-O-Methylalloptaeroxylin
Peak:m/z	Relative Intensity
51.02382	0.3
55.01859	0.4
55.05488	0.8
57.07048	0.9
67.01850	0.4
68.99767	0.6
69.03410	0.4
69.23335	1.4
69.96275	0.3
70.06545	0.3
75.72088	0.2
79.05475	2.1
81.03343	0.3
81.07041	3.1
83.01325	1.1
84.12751	0.3
88.07598	0.5
91.05469	2.5
93.07023	1.5
95.04944	0.8
98.23419	0.6
103.05437	1.2
104.25075	0.3
105.03415	0.7
105.04453	0.3
105.07008	0.9
106.04121	0.4
107.04871	0.4
115.05418	1.5
117.06921	0.6
121.02870	0.4
121.06484	6.6
128.06183	0.8
129.06996	1.2
131.04907	4.7
131.15050	0.3
133.02846	0.5
133.06477	0.8
134.03627	1.4
141.07001	0.5
142.07761	1.7
143.04903	2.4
143.08562	0.4
145.06482	0.4
147.04373	1.3
147.05405	0.3
147.08025	0.8
149.02312	0.4
149.05962	3.4
157.02771	0.3
157.06418	0.5
157.10059	1.4
159.04393	1.8
160.05147	0.8
161.02310	0.4
161.05963	1.7
162.03104	13.1
163.07474	0.7
167.08487	0.3
171.04381	3.4
173.06023	0.4
174.03110	0.5
175.03824	0.5
175.07495	1.6
176.04619	0.3
177.05473	3.2
184.05199	0.4
185.02347	0.9
185.05978	0.9
185.09615	1.7
187.03754	0.4
187.07527	0.4
188.04637	2.3
189.03876	0.4
189.05377	2.6
190.02583	19.0
191.02994	0.6
191.07022	0.8
193.04950	2.5
195.07922	0.4
198.06644	0.5
199.03871	8.8
199.07530	0.4
200.04170	0.3
201.05418	0.5
202.02551	0.8
203.03271	0.6
203.07021	3.4
204.04201	0.6
205.04930	100.0
206.05261	2.8
212.04671	0.8
213.05420	1.7
213.09018	2.2
215.03423	0.4
216.04218	1.5
217.04951	3.0
217.08617	1.1
219.06491	9.4
220.06807	0.3
226.06262	0.7
227.06973	0.4
229.04912	1.4
230.05763	0.4
231.06496	9.7
231.10046	0.7
240.07861	0.4
241.08575	3.7
243.06470	1.1
244.07275	0.7
245.08083	1.3
246.07594	0.5
255.10315	0.3
258.08765	0.5
273.11169	25.6
274.11533	1.2
274.27374	2.4
292.62943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
55.21900	0.0
56.05031	0.1
56.65704	0.0
56.72751	0.0
57.07066	8.5
58.06589	0.7
60.04515	0.2
62.06073	0.4
62.44049	0.0
67.01854	0.1
68.05015	0.3
68.99780	0.2
69.03417	0.1
69.07059	0.2
70.06580	13.9
71.08619	3.6
71.44122	0.0
72.08156	0.1
74.05704	0.1
74.06121	0.2
78.04686	0.1
79.05481	0.6
81.06593	0.1
81.07040	0.7
83.01319	0.2
83.08574	0.1
84.08145	0.1
85.10164	1.1
86.06063	0.4
88.07615	18.3
91.05456	0.5
93.07034	0.4
95.04959	0.2
98.97565	0.1
100.07606	0.2
102.09162	5.0
103.05456	0.3
104.07112	0.1
105.03362	0.1
105.04518	0.1
105.07006	0.2
106.04181	0.1
106.08649	9.5
107.01276	0.1
107.04948	0.1
109.06487	0.1
115.05426	0.3
116.98647	0.1
117.07018	0.1
119.04951	0.2
119.08480	0.1
121.02871	0.1
121.06482	1.2
125.97620	0.0
128.06210	0.2
129.06982	0.2
131.04907	1.0
133.02840	0.1
133.06473	0.1
134.03613	0.4
134.99715	0.1
141.06934	0.1
142.07730	0.3
143.04865	0.4
145.06456	0.1
147.04382	0.2
147.08015	0.1
149.02333	0.1
149.05951	0.6
157.02823	0.1
157.06505	0.1
157.10112	0.2
159.04382	0.5
159.08023	0.1
160.05099	0.1
161.05959	0.3
162.03094	2.7
163.03546	0.1
163.07520	0.1
167.08600	0.1
170.07219	0.1
171.04387	0.5
173.05975	0.1
174.03131	0.1
175.03926	0.1
175.07527	0.3
176.04630	0.1
177.05447	0.6
185.02287	0.2
185.05939	0.2
185.09651	0.3
187.03963	0.1
188.04655	0.3
189.05466	0.4
190.02579	3.7
191.03044	0.1
191.06998	0.1
193.04955	0.5
195.08031	0.1
198.06706	0.1
199.03870	1.6
201.05434	0.2
202.02586	0.2
203.03233	0.1
203.07030	0.5
204.04153	0.1
205.04924	21.2
206.05315	0.4
212.04620	0.2
212.23654	0.7
213.05457	0.4
213.09042	0.4
215.03398	0.1
216.04062	0.3
217.04959	0.5
217.08536	0.2
219.06506	1.6
226.06105	0.1
227.07024	0.1
229.04939	0.3
229.08621	0.1
230.05731	0.1
230.24750	0.9
231.06485	1.7
231.10115	0.1
241.08549	0.5
242.24599	0.1
243.06473	0.2
244.07227	0.1
245.08063	0.3
246.07654	0.1
254.24760	0.3
255.09970	0.1
255.25099	0.2
256.26306	6.4
258.08844	0.1
272.25818	0.2
273.11169	4.7
273.23276	0.1
273.26111	0.2
274.27338	100.0
279.69971	0.1
284.89761	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	274.9748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23598	0.4
52.87425	0.4
54.98640	0.5
56.96556	12.2
69.96148	1.0
70.93980	0.5
70.95847	0.6
71.95233	0.7
78.78361	0.4
80.82847	0.4
98.97567	100.0
116.98603	49.6
116.99478	0.5
119.01927	0.9
130.93283	1.7
131.96127	0.5
134.99631	12.9
135.34917	0.5
160.32404	0.5
171.92491	0.5
172.94347	4.7
174.92610	0.5
177.00906	1.6
190.95374	3.1
203.02502	1.5
208.96294	1.7
214.95367	2.3
219.02008	0.6
232.96361	6.7
241.80974	0.5
249.99252	1.5
250.97356	3.2
256.96411	12.0
261.03137	0.9
274.97449	75.3
275.04022	3.1
275.97583	1.0
292.98502	38.9
293.98621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19151	4.1
52.42211	4.1
56.96550	13.5
63.81190	3.8
69.81658	5.6
69.81994	8.0
70.06576	4.8
72.56902	4.8
94.26617	4.1
98.96978	7.0
98.97569	100.0
114.88891	4.1
116.98616	49.0
119.01771	4.5
120.13373	4.1
134.99612	16.6
155.76534	3.6
158.84085	3.7
222.30161	4.5
256.96536	6.2
264.50403	4.1
274.27188	4.4
274.97464	75.4
275.05374	8.5
292.95303	6.0
292.98450	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	275.0911
Annotation	Ficuformodiol A
Peak:m/z	Relative Intensity
55.01873	0.6
55.05488	1.5
56.96544	0.3
61.22070	0.4
67.05478	0.9
68.99765	0.8
69.03417	3.0
69.07040	0.8
69.18705	1.5
69.19118	0.8
79.05475	1.4
81.07046	1.9
83.01303	1.0
83.04969	0.8
83.08603	0.4
85.06536	0.4
91.05468	3.8
93.07040	3.1
95.04943	0.5
95.08572	1.1
98.22590	0.5
98.97545	1.2
103.05418	1.0
105.04442	0.4
105.07011	2.8
107.04945	0.7
107.08566	1.2
109.06486	1.0
109.10136	0.7
115.05430	1.6
116.06236	0.4
116.98596	0.8
117.06985	0.9
119.04920	0.7
119.08566	1.6
121.06488	6.9
121.10119	1.2
128.06241	0.5
129.06985	0.8
131.04898	3.9
131.08539	1.6
133.06418	0.4
133.10085	1.6
134.03603	1.4
134.99619	0.9
135.08057	0.3
137.05959	0.6
139.03897	0.3
141.06934	2.3
143.08540	0.5
145.06381	0.7
145.10075	0.6
147.04407	0.8
147.11667	1.2
149.02286	0.7
149.05948	3.1
157.06514	0.4
157.10077	0.4
158.07280	0.6
159.04416	1.9
159.08012	1.2
159.11679	0.6
162.03091	11.6
163.03842	0.7
163.07550	0.6
165.05443	0.4
168.05652	0.4
169.06459	1.7
173.09619	0.6
176.04642	0.5
177.05467	2.8
186.06668	0.8
187.07541	2.1
189.05383	1.0
190.02576	19.5
191.03238	1.0
191.06874	0.4
193.05022	0.5
194.02171	0.6
197.05948	5.6
198.06618	0.3
199.03798	0.5
201.09036	0.7
203.03281	0.7
204.04231	0.3
204.61293	0.5
205.04932	100.0
206.05261	3.1
207.05522	0.7
213.05417	0.7
214.06213	5.1
215.06900	0.9
217.04919	0.5
219.02870	1.1
219.06441	3.5
221.04367	0.4
222.01515	0.4
225.05428	12.0
226.05893	0.7
229.08540	1.3
231.06461	0.4
232.07259	0.4
232.79816	0.4
233.04390	1.1
233.08009	1.5
237.03986	0.4
242.05710	4.6
243.06389	0.5
246.07753	0.4
247.09616	15.7
248.09857	0.7
257.08081	5.0
257.19052	0.3
269.29892	0.4
274.97379	0.6
275.09088	34.5
275.12259	1.2
275.19962	4.0
276.09464	0.9
292.98459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0911
Annotation	Phloretin
Peak:m/z	Relative Intensity
50.57899	0.2
55.01864	0.3
55.05508	1.7
65.03956	0.3
67.05492	0.2
67.79852	0.2
68.99779	0.7
69.03403	0.4
69.07078	0.2
69.76250	0.5
69.76628	0.4
70.06565	0.2
79.05476	0.5
81.07033	0.3
83.01331	1.2
83.04964	2.2
87.04443	0.4
88.07606	0.3
91.05472	1.9
93.07037	1.6
95.04948	0.4
98.22881	0.4
98.23444	0.2
98.97572	0.5
102.09093	0.2
103.05446	0.6
105.04497	0.4
105.06998	0.7
106.04162	0.2
107.04935	0.3
109.06499	0.3
115.05432	0.6
117.06982	0.6
119.04926	0.4
119.08572	0.3
121.02848	0.3
121.06492	4.9
122.03647	0.2
128.06190	0.3
129.07004	0.3
131.04904	2.2
131.08545	0.3
132.05701	0.3
133.02823	2.1
133.09996	0.2
134.03615	1.2
137.05969	0.6
141.06964	0.8
145.06459	0.8
145.10143	0.2
147.04385	0.7
147.08017	0.2
147.11696	0.2
149.02327	0.9
149.05952	2.8
158.07294	0.3
159.04413	1.0
159.08005	0.3
160.05190	0.6
161.05957	0.5
162.03101	10.8
163.03824	0.7
164.04663	0.8
167.26160	0.2
169.06516	0.9
173.05923	1.3
173.09534	0.3
177.01840	0.4
177.05450	2.7
178.02591	1.2
186.06824	0.5
187.03888	0.3
187.07542	0.9
188.04610	1.0
189.05453	1.0
190.02580	16.6
191.03328	2.6
192.04132	0.8
193.04941	5.7
197.06029	1.2
198.06949	0.3
201.09128	0.3
203.03287	0.4
203.06932	0.2
205.04933	100.0
206.05281	3.0
207.05392	0.2
214.06239	0.6
214.21646	0.9
215.06898	0.6
217.04958	1.1
219.02888	0.8
219.06487	0.9
225.05412	1.9
229.08551	1.9
231.06429	0.4
233.08061	4.2
242.05704	0.3
243.06424	0.2
246.07568	0.4
247.09622	7.4
248.09888	0.4
257.08051	4.4
275.09088	15.4
275.20041	0.7
276.09488	0.5
276.25323	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35688	0.2
68.05025	0.3
70.06582	100.0
70.68990	0.2
71.06927	1.3
79.89027	0.2
85.07679	0.3
91.05480	0.7
112.08711	36.3
113.09054	0.4
114.16206	0.2
119.04920	1.9
147.04379	5.3
164.07047	0.4
225.03333	0.2
275.14990	8.5
276.15332	0.3
284.08536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61780	0.2
52.20560	0.2
60.49984	0.1
68.05019	0.3
70.06582	100.0
71.06902	1.1
71.23726	0.3
75.85478	0.2
83.16094	0.2
85.07657	0.4
91.05482	0.6
95.06068	0.5
112.08712	34.3
112.22162	0.2
113.09051	0.5
119.04926	2.5
127.00695	0.2
147.04378	6.4
164.07033	0.3
275.14978	8.8
276.15195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26142	0.2
61.62696	0.2
64.81104	0.2
68.05029	0.3
69.35101	1.3
70.06583	100.0
71.06927	0.8
75.27908	0.2
85.07659	0.4
91.05455	0.5
112.08717	37.9
113.09055	0.5
119.04921	2.1
133.32930	0.2
147.04390	6.3
163.03922	0.6
201.02913	0.3
258.55582	0.3
275.14993	8.1
276.15323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03929	4.2
55.01869	6.8
55.05508	13.6
55.64434	2.8
57.03420	3.5
67.05494	18.4
67.46400	3.4
69.03397	3.9
69.07056	10.1
71.04974	4.2
79.05486	23.6
81.07055	29.7
83.04977	4.7
83.08591	3.6
91.05468	46.8
93.07040	24.3
95.04977	8.1
95.08594	15.2
97.06506	5.0
98.97562	12.3
100.71131	3.1
103.05450	3.7
105.07010	56.9
107.04951	4.3
107.08585	15.4
109.06491	7.4
109.10135	10.9
116.06252	3.9
116.98605	12.5
117.06973	9.0
119.08566	40.8
121.06502	4.5
121.10126	14.5
123.11671	7.2
131.08578	29.4
133.10095	40.7
134.99648	5.2
135.08052	7.9
135.11662	4.4
136.42279	3.2
143.08604	4.5
145.10152	15.1
147.11665	18.1
149.09587	10.4
157.10179	4.1
159.06786	3.2
159.07985	15.4
159.11728	9.4
161.09607	4.8
161.13226	7.3
163.11183	4.4
173.11612	3.3
173.13243	8.9
177.09108	5.2
179.10608	5.7
220.50317	3.3
239.17805	4.1
257.19061	8.6
274.97559	5.6
275.04568	5.2
275.20047	100.0
275.27899	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
54.07374	2.4
54.16890	1.8
55.05512	13.6
64.99551	1.9
67.05193	2.4
67.05497	20.4
69.07047	10.2
72.36433	2.3
73.02882	2.4
79.05479	19.8
81.07053	25.6
83.04945	2.0
83.08624	3.5
85.06482	2.0
86.50696	2.0
91.05470	43.3
92.04808	2.4
93.07026	20.5
95.04945	7.5
95.08578	13.6
97.06511	3.8
98.97567	7.2
105.07010	45.1
107.04939	3.8
107.08589	14.8
109.06512	4.0
109.10125	5.6
116.98597	9.4
117.06999	8.2
119.08575	31.3
121.06463	2.9
121.10126	8.5
129.07025	2.1
131.08551	16.2
131.41022	2.0
133.10118	34.6
134.99597	4.7
135.08011	5.4
135.11685	4.0
137.09615	2.1
145.10074	11.4
147.11661	17.4
149.09592	4.7
149.13202	2.8
151.11198	3.6
157.10081	4.5
159.11670	7.9
161.09631	3.2
161.13249	7.5
163.11166	3.6
173.13203	5.2
173.51582	2.3
178.30505	2.1
220.15485	2.1
239.17947	3.5
243.84105	2.1
247.20413	3.8
257.19016	9.9
271.09418	2.2
275.20029	100.0
276.20309	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	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.40308	0.6
53.03933	1.4
55.01856	3.7
55.05251	1.0
55.05502	12.6
57.03411	0.7
57.07068	1.0
59.52171	0.7
61.07191	0.6
67.05493	15.4
69.07057	11.4
70.06570	1.8
71.04976	2.7
75.90287	0.7
79.05479	16.6
81.07043	17.9
83.04963	2.3
83.08582	4.4
85.06530	1.3
91.05463	39.7
93.07032	17.1
95.04952	4.5
95.08588	11.2
97.06535	3.5
97.10154	1.4
98.22591	1.5
98.97561	1.5
103.05433	2.3
105.07011	53.2
106.07358	0.8
107.04915	1.8
107.07848	0.7
107.08569	12.7
109.06505	1.9
109.10150	4.9
111.08056	0.7
115.05443	0.9
116.98582	0.7
117.07005	9.0
117.69936	0.6
119.08557	33.1
121.06483	3.0
121.10133	6.4
123.08036	1.5
123.11643	0.7
125.09576	1.3
129.06992	2.0
130.07748	0.9
131.08553	13.1
133.06363	0.8
133.10104	33.1
134.10422	0.7
135.08026	3.4
135.11679	3.2
137.09581	1.7
143.08533	2.7
145.10098	13.6
147.07979	1.3
147.11661	20.6
148.08813	0.8
149.09576	5.2
149.13297	0.9
151.11128	1.3
155.08507	1.2
157.10104	2.9
159.11668	8.3
160.12440	0.7
161.09581	1.2
161.13217	5.8
163.11111	3.9
169.10152	1.7
171.11646	2.0
173.09642	0.8
173.13263	4.1
175.11238	1.0
175.14781	1.3
183.11700	1.4
187.11101	0.9
197.13211	2.2
229.19536	2.3
233.15356	1.1
239.17941	2.8
247.20531	2.4
257.18936	8.5
275.20013	100.0
276.20413	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	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03933	1.8
55.01858	4.6
55.05259	1.1
55.05506	14.4
57.03411	1.8
57.07066	1.5
61.56492	0.8
65.03921	2.0
67.05497	20.3
67.05856	1.3
69.03411	1.5
69.06703	0.9
69.07054	10.5
69.95692	2.2
71.04974	2.2
75.01248	0.7
77.03916	1.4
79.05480	23.6
81.07045	27.3
83.04953	3.3
83.08594	6.8
86.22226	0.8
91.05467	43.2
93.07030	24.7
95.04948	5.9
95.08594	12.7
97.06514	4.0
97.10141	2.4
103.05431	1.2
105.04515	1.5
105.07013	58.6
107.04945	4.2
107.08574	16.1
109.06494	4.1
109.10132	6.7
111.08061	1.6
116.06172	1.1
117.07004	12.3
119.08562	35.9
121.06483	4.6
121.10127	9.6
121.16970	0.9
123.08064	2.8
123.11650	1.7
125.09570	1.7
129.06963	2.9
130.07809	0.8
131.08546	17.3
133.06522	1.9
133.10107	37.8
134.10445	0.8
135.08035	5.6
135.11688	4.5
137.09625	3.9
139.11206	0.8
141.07065	1.0
143.08536	2.9
145.10103	13.7
146.10780	0.9
147.08034	1.6
147.11662	22.7
148.11995	1.0
149.09589	8.4
149.13261	1.6
151.11147	3.7
155.08517	1.5
157.10101	2.1
159.11665	8.9
161.09630	1.2
161.13229	6.5
162.10158	0.8
163.11096	6.0
163.14720	0.8
165.09106	1.0
165.12762	1.9
169.10121	2.0
171.11671	3.0
173.13223	5.0
175.11179	2.2
175.14772	1.7
177.12704	2.2
181.12411	0.8
183.11638	1.9
185.13240	1.2
185.88074	0.7
187.11061	1.2
187.14732	1.0
189.12749	1.2
191.14320	0.9
197.13246	3.8
201.12770	1.2
208.76857	0.8
211.14764	0.8
215.17932	0.9
219.13756	0.9
229.19547	4.7
233.15401	0.9
239.17943	5.5
247.20551	3.5
257.18936	12.4
263.53262	0.8
275.20016	100.0
276.20331	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01862	12.5
55.05506	17.5
57.03427	4.9
67.05499	30.9
69.07055	8.1
70.06612	6.9
71.04989	5.6
74.17970	3.8
79.05485	36.1
81.07046	27.1
83.04967	6.2
83.08608	6.8
91.05468	48.0
93.07024	28.7
95.04954	9.6
95.08609	16.0
97.06519	7.1
105.04557	3.9
105.07017	61.5
107.04940	13.2
107.08595	19.9
109.06527	7.9
109.10162	13.1
117.07014	13.6
119.08566	31.4
121.06451	5.0
121.10159	10.1
123.08009	3.6
123.11746	3.9
125.09621	5.7
131.08537	21.0
133.10095	36.3
135.07994	6.2
145.10141	12.8
147.11676	20.9
149.09639	27.8
159.11674	10.8
161.13246	4.8
171.78833	3.7
173.13271	5.1
177.12773	4.4
194.08334	5.1
205.05000	6.7
215.20345	4.0
257.18967	13.5
274.27597	7.9
275.04868	15.8
275.20038	100.0
275.27853	17.6
276.20468	4.6
281.19379	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.90609	1.5
55.01653	1.5
55.01865	18.0
55.05507	22.0
57.07059	4.7
65.03898	1.9
67.05494	29.4
69.07058	15.8
70.06573	8.2
71.04966	2.5
71.08612	3.5
79.05483	28.4
81.03365	1.5
81.07050	37.1
83.04943	3.8
83.08589	7.6
86.06797	1.8
88.07642	1.9
91.05473	61.0
91.06053	3.0
93.07034	26.2
95.04966	7.5
95.08601	21.0
97.06515	25.4
97.10134	4.4
103.05487	2.6
103.58085	1.3
105.07017	92.2
107.04946	12.5
107.08571	17.2
109.06506	3.5
109.10130	8.8
111.08067	1.7
117.07011	14.7
119.08569	47.0
121.06488	2.1
121.10106	8.3
123.08083	2.3
123.11714	2.0
125.09583	3.4
129.06966	2.3
131.08548	18.2
132.09404	1.5
133.10110	60.4
135.08008	4.3
135.11652	5.1
137.09547	2.0
143.08606	2.9
145.10101	18.3
147.08014	1.6
147.11668	24.7
149.09584	14.0
149.13210	1.8
151.11176	2.0
157.10080	3.6
159.11650	10.3
161.13249	5.6
163.11191	5.1
165.09044	2.3
171.11681	2.2
173.13203	4.9
175.11160	2.0
177.12740	2.3
179.14352	1.8
183.11664	2.1
187.14714	2.6
197.13225	2.5
205.12325	2.1
208.28323	1.7
219.14386	1.5
229.19525	2.4
233.15385	1.8
239.17929	3.7
247.20630	4.1
250.70462	1.5
257.19006	13.5
274.27213	2.5
275.04950	2.2
275.20032	100.0
275.27554	10.8
276.20218	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03928	1.2
55.01859	1.0
55.05505	13.9
57.03415	1.6
57.07069	5.0
58.60652	0.7
59.04994	1.4
62.97227	1.0
65.03928	1.2
66.90534	0.7
67.05156	1.2
67.05492	16.5
68.99778	1.0
69.03419	6.4
69.06760	0.9
69.07058	10.6
69.41261	2.5
69.41667	1.8
70.06580	11.0
71.04973	3.3
79.05038	1.7
79.05478	26.6
81.07044	15.9
83.04967	10.0
83.08604	4.8
85.02884	2.2
85.06528	27.5
86.87723	0.7
91.05460	12.9
93.07026	19.4
95.04422	0.9
95.04945	5.6
95.08591	21.6
97.06516	3.3
97.10155	1.7
97.75600	0.7
98.97558	2.5
99.08070	8.0
103.05465	1.2
105.04528	1.6
105.06339	1.5
105.07009	20.6
106.07312	0.9
107.04935	7.3
107.08569	25.4
109.06493	5.7
109.10138	16.9
111.04414	1.0
111.08057	3.9
111.53951	0.7
112.08701	4.5
113.05995	1.0
113.09606	3.0
115.05450	0.9
116.98619	1.5
117.07000	5.7
119.04910	2.2
119.08560	28.2
121.06499	5.7
121.10114	30.3
122.07258	10.7
123.04436	1.3
123.08070	4.7
123.11680	3.4
125.05977	1.5
125.09624	7.0
127.07552	1.2
128.06213	1.4
129.06956	3.7
130.07765	1.9
131.08542	13.5
133.06474	2.0
133.10110	19.1
134.99619	1.1
135.08026	8.8
135.11664	11.5
137.09586	58.9
137.13232	1.1
138.14786	0.9
139.07500	1.3
139.11154	3.7
141.09094	2.1
142.07787	1.3
143.08528	4.5
144.09302	2.0
145.06474	1.3
145.10097	20.4
146.10600	1.3
147.04318	1.1
147.08022	3.4
147.11639	9.7
147.12723	1.2
149.09583	10.3
149.13264	4.3
151.11145	2.2
153.09059	1.2
155.08557	1.4
156.09291	1.1
157.10117	7.5
158.10858	3.7
159.08017	4.2
159.11650	16.7
160.08733	1.0
161.09644	6.4
161.13229	4.0
163.11160	13.6
163.14799	7.4
165.09074	1.3
169.10051	2.0
171.11664	5.8
172.08754	0.9
173.09619	3.6
173.13231	22.4
175.11157	5.4
175.14810	2.7
177.09152	0.9
177.12679	4.6
177.16335	1.0
179.10632	1.9
181.83887	1.0
183.11604	3.0
184.12386	1.0
185.13240	2.4
187.11165	2.8
187.14786	15.8
188.11815	1.0
188.15480	2.1
189.12692	4.4
189.16412	1.7
191.14258	13.6
193.12315	1.1
197.13292	3.9
199.14810	5.3
201.12700	8.8
203.14296	2.6
205.15831	2.4
213.16312	1.8
215.14270	5.8
215.17867	2.9
217.15788	10.0
219.13760	11.1
219.20770	0.9
220.14543	1.0
229.15984	1.0
229.19478	6.5
231.17366	1.0
233.19026	0.8
239.17894	4.1
245.18881	2.4
247.20558	1.8
257.18942	19.8
258.19370	1.0
274.97382	1.8
275.20001	100.0
275.27289	3.5
276.20334	3.5
292.98462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03927	3.6
55.01844	2.5
55.05505	83.1
57.07053	3.0
59.92335	1.5
65.03926	1.9
67.05497	14.9
69.03418	15.6
69.07054	9.4
69.36775	4.0
70.06583	70.6
71.04990	2.7
78.36218	1.2
79.05485	18.8
81.07040	18.3
81.69763	1.2
83.04971	38.5
83.08619	6.3
85.02892	1.8
85.06526	8.6
91.05470	15.1
93.07030	22.5
95.04971	10.9
95.08591	18.4
97.06508	3.3
98.97601	2.4
99.08067	4.9
105.07020	18.9
107.04958	6.3
107.08576	30.2
108.08862	1.5
109.06511	13.6
109.10141	18.9
111.08064	6.7
112.08712	30.4
113.07095	2.2
115.05461	1.5
116.98505	1.5
117.06978	4.8
119.04961	2.4
119.08562	17.6
121.06472	9.2
121.10132	31.6
122.07262	5.1
123.08049	8.9
123.11668	1.7
125.09615	5.7
129.06990	2.8
130.07758	1.5
131.08539	10.1
133.10107	44.3
135.08020	21.4
135.11696	10.2
137.05981	2.2
137.09596	73.3
138.10072	1.7
139.11157	12.6
143.08533	4.7
145.06451	2.8
145.10104	11.3
147.04408	6.6
147.08026	2.6
147.11674	8.4
149.09608	10.2
149.13246	9.7
151.11166	3.7
157.10124	4.0
159.08052	2.3
159.11674	10.8
159.92445	1.4
161.09584	3.7
161.13266	2.6
163.03732	1.3
163.09915	2.5
163.11159	28.5
163.14790	2.8
165.12752	2.8
169.10146	2.0
171.11610	2.9
173.09555	3.6
173.13229	15.1
175.11139	3.6
175.14743	7.0
177.12727	2.3
179.10568	1.5
183.11668	4.4
187.11143	3.9
187.14787	2.8
189.16307	2.1
191.10736	1.8
191.14241	14.5
193.15871	12.5
197.13229	2.4
199.14755	3.0
201.12634	6.2
205.04510	1.6
205.12228	1.5
211.14876	1.5
215.08202	1.6
215.14246	2.7
215.17885	4.4
217.15875	2.3
219.13721	5.0
220.14613	1.6
229.19481	2.0
233.19017	3.2
239.17812	2.9
257.18985	6.9
275.15015	7.1
275.20020	100.0
276.08640	2.9
276.20334	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01860	2.8
55.05511	10.3
57.03432	8.1
67.05499	17.5
69.07060	9.0
70.06576	2.5
71.04991	1.7
71.33949	1.4
79.05485	17.5
81.07051	17.6
83.08596	6.6
85.06538	2.6
88.07618	2.7
91.05470	39.8
93.07045	20.9
95.04945	5.8
95.08584	12.8
97.06518	2.9
97.10182	1.6
98.97583	3.0
99.08022	1.9
105.07021	50.7
106.08687	2.3
107.04940	3.5
107.08585	12.2
109.06490	4.6
109.10103	4.0
111.08054	1.8
117.07021	11.1
119.08568	34.6
120.08921	1.5
121.06499	4.0
121.10135	6.6
123.08057	2.0
128.06161	2.1
129.06993	5.2
131.08575	14.6
133.10112	22.1
135.08040	2.8
135.11694	3.3
141.07031	1.8
143.08559	6.1
145.10103	12.8
147.08037	3.4
147.11667	23.7
149.09641	8.6
157.10112	3.9
159.11697	13.6
161.09590	2.1
161.13243	6.2
163.11139	4.4
169.10164	4.1
171.11787	2.9
173.13234	4.9
175.14804	1.9
176.71072	1.5
177.12715	2.6
183.11649	3.6
185.13258	13.6
191.14395	1.8
197.13286	2.5
201.16328	2.5
203.14323	10.6
205.04892	4.7
211.14746	1.7
219.17343	8.6
223.81116	1.6
229.19632	2.8
239.17912	4.5
247.20659	2.1
257.18933	12.8
274.27374	2.1
275.04889	2.2
275.09055	1.7
275.20041	100.0
275.27744	18.1
276.20276	3.7
293.31516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97699	2.4
53.03933	2.5
55.05506	30.9
56.96545	2.7
57.07073	19.0
64.51887	2.4
67.05154	3.9
67.05492	45.9
69.07063	47.3
70.06580	25.8
70.12061	2.2
71.08606	8.4
74.94701	2.6
79.05476	23.9
81.07049	87.7
83.04960	4.6
83.08608	27.7
85.06522	4.4
85.10162	3.4
91.05450	18.1
93.07032	60.5
95.04932	10.5
95.08595	100.0
95.09207	4.8
97.06483	2.5
97.10160	14.5
98.97547	10.3
105.07014	22.2
107.08582	70.8
109.06484	4.9
109.10143	67.5
111.11689	5.8
112.08707	8.8
116.98595	10.4
117.07019	5.1
119.08566	20.0
121.06474	6.2
121.10134	43.6
123.11681	31.8
125.09565	3.3
131.08557	7.7
133.10133	14.9
134.99622	10.9
135.08112	4.0
135.11674	36.4
137.13205	15.3
141.06956	2.5
145.10097	6.8
147.08086	3.2
147.11639	12.5
149.09550	3.5
149.13232	47.3
151.14793	6.1
157.10168	3.8
159.11685	6.2
161.09650	3.0
161.13239	3.6
163.14812	29.9
165.16333	7.4
171.11749	4.4
173.13214	5.9
175.11115	3.8
175.14728	3.7
177.16374	15.8
179.17978	2.9
180.35466	2.5
187.14622	2.6
189.01968	3.8
191.17920	10.9
205.19514	8.1
214.17963	4.6
217.15695	3.5
219.21021	12.3
247.20410	2.6
257.18851	7.3
274.97467	6.1
275.09244	2.9
275.20099	38.1
275.27298	77.4
276.25204	5.6
292.98557	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99159	2.0
52.37341	2.3
55.01847	2.0
55.05507	35.1
57.07064	14.1
62.67377	2.1
65.03935	2.3
67.05156	2.7
67.05495	39.8
69.03414	2.5
69.06709	2.8
69.07059	44.8
69.80428	7.1
70.06583	18.1
71.04977	2.4
71.08631	9.7
79.05481	36.7
81.07047	100.0
83.08609	25.1
85.06522	3.1
85.10148	3.8
91.04947	2.4
91.05470	34.7
93.07035	62.9
95.04953	4.4
95.08591	95.1
97.10157	20.0
98.22639	2.8
98.97576	12.5
101.05972	2.2
105.07015	46.0
107.08580	68.5
109.06499	5.2
109.10147	59.6
111.11705	7.6
112.08688	7.1
116.98601	10.3
117.06982	9.1
119.08553	26.9
121.06458	2.8
121.10129	43.6
123.11697	29.0
123.21584	2.1
131.08534	12.2
133.10100	27.7
134.99605	6.6
135.11668	35.9
137.09586	2.8
137.13202	9.3
143.08537	3.7
145.10077	12.3
147.11684	18.5
149.09586	4.0
149.13242	43.7
150.96968	1.8
151.14764	8.3
157.10159	2.9
159.11690	9.7
161.13248	4.0
163.11171	4.7
163.14804	31.9
165.16362	7.4
169.10010	3.5
169.34473	2.0
173.13205	4.3
175.11038	3.1
175.14825	2.1
177.16374	15.0
179.17882	4.4
183.11583	4.0
185.13193	2.9
189.01805	2.1
191.17879	10.8
192.37598	1.9
199.50084	1.9
205.19446	11.2
215.14349	2.5
219.21031	10.4
233.07967	2.9
254.31276	2.2
257.18921	9.4
274.97467	6.9
275.09015	4.4
275.20047	69.9
275.24619	2.8
275.27267	74.6
276.09778	8.3
276.20169	3.3
292.98477	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	276.1957
Annotation	MGK 264
Peak:m/z	Relative Intensity
51.56369	0.5
55.05490	2.5
56.05829	0.6
59.04992	3.2
59.05235	0.6
63.42892	0.6
67.05479	1.6
69.03410	1.6
69.07045	1.5
75.12401	0.5
79.05486	3.0
81.07030	2.1
85.06537	0.6
91.05459	1.7
92.05799	0.8
93.07028	2.4
95.08590	2.2
97.02864	0.7
97.06509	2.6
99.65188	0.5
105.07004	2.6
106.07333	1.8
107.08572	1.7
109.10123	0.7
115.03921	1.2
117.07012	0.8
118.06526	16.3
119.08564	2.0
120.08904	1.4
121.10104	1.4
122.10472	1.7
131.08536	0.7
132.08072	4.8
133.08836	3.3
133.10033	1.1
134.09575	1.0
134.10477	1.1
135.08002	0.9
138.09933	0.8
143.08389	0.6
145.10031	1.0
146.09575	3.6
147.10448	1.1
147.11659	0.8
147.42371	0.6
148.12033	0.9
149.02365	0.8
149.13237	0.6
157.67758	0.6
159.11630	0.6
161.02315	0.6
161.11801	0.6
163.03828	1.9
163.32474	0.5
173.02348	0.9
175.93956	0.6
176.14317	63.6
177.14615	1.0
198.13329	0.8
215.06955	1.1
216.17729	0.6
232.13310	1.0
243.68156	0.6
247.08299	0.6
258.19217	1.1
259.09607	1.9
276.19556	100.0
277.14789	1.1
277.17316	4.6
277.20010	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	277.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84229	1.2
52.86552	1.1
56.96559	10.2
63.53789	1.1
69.47303	2.0
69.47696	3.1
76.25856	1.2
86.33734	1.3
98.97573	100.0
99.97895	1.3
107.27054	1.1
116.98610	61.8
119.01894	3.4
132.53278	1.1
134.99641	21.2
145.03456	1.4
153.00636	1.9
163.03856	4.5
179.00670	3.0
192.94829	2.0
205.02269	3.3
210.95819	4.2
219.01920	2.2
234.95854	3.9
240.98645	5.8
252.96977	4.3
258.99738	65.9
259.99875	2.2
276.97049	11.4
277.00778	86.4
277.04263	3.8
278.00949	3.8
287.52249	1.5
294.98062	5.9
295.05655	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	277.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06743	4.1
69.03426	48.7
70.80643	4.5
81.03415	4.7
85.02878	7.1
85.67638	4.8
91.66270	4.3
97.02882	49.8
102.25078	4.8
115.03925	100.0
199.13597	4.3
203.90712	4.1
214.18231	4.7
235.79878	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	277.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	50.2
85.02905	8.2
87.30492	3.1
93.75681	3.4
97.02888	55.4
104.56087	3.7
115.03915	100.0
205.59068	3.6
207.42632	4.3
225.60660	3.6
225.71071	3.5
269.69977	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
53.44159	0.3
54.51049	0.2
55.01865	9.1
57.03434	2.3
58.68877	0.2
59.04993	3.4
61.02906	0.7
69.03419	20.7
70.16766	0.4
70.17101	0.5
71.04980	0.7
73.02912	1.4
81.03406	4.7
85.02890	8.2
85.71589	0.2
87.04459	7.2
91.32339	0.2
97.02876	16.0
99.04438	1.9
101.78391	0.3
109.02853	2.4
115.03912	100.0
116.04237	0.7
116.45259	0.2
120.92168	0.2
127.03893	4.9
133.04955	1.8
145.04926	1.7
146.41614	0.3
249.83508	0.3
259.08109	1.5
277.09082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0915
Annotation	Ranunculin
Peak:m/z	Relative Intensity
64.94839	3.9
69.03421	70.5
70.94122	4.7
72.06798	4.3
85.02898	14.7
97.02885	57.4
101.00861	8.0
115.03925	100.0
119.01958	6.6
161.02924	13.0
185.03026	4.4
186.70082	4.4
213.38914	4.0
245.04994	5.8
252.70421	4.5
277.03104	13.6
277.07465	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	277.0914
Annotation	Ranunculin
Peak:m/z	Relative Intensity
53.03939	1.4
55.01866	11.1
55.26345	0.3
57.03425	2.7
57.62603	0.2
59.04991	3.0
61.02905	0.8
63.65465	0.2
69.03418	21.5
69.14490	1.7
69.14865	0.5
70.03754	0.4
71.04978	0.9
73.02917	1.3
81.03405	5.5
85.02894	8.1
87.04454	7.8
97.02880	17.0
99.04459	1.9
109.02847	3.0
115.03912	100.0
116.04218	0.8
117.63544	0.3
127.03904	4.1
133.04958	1.6
144.36761	0.3
145.04939	1.0
170.89708	0.3
239.99405	0.3
259.08112	1.5
277.08997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1069
Annotation	6,7,9alpha-Trihydroxy-3,8,11alpha-trimethylcyclohexo[d,e]-coumarin
Peak:m/z	Relative Intensity
55.01870	5.1
55.05495	1.5
57.07079	0.9
67.05505	1.9
68.99783	1.5
69.03422	3.2
69.07065	1.1
69.84999	2.5
71.04968	1.1
79.05483	1.9
81.03388	1.0
81.07054	4.0
83.04967	1.3
85.02879	1.1
85.06548	1.2
89.58829	0.8
91.05459	3.5
93.07041	3.8
95.04958	1.3
95.08603	2.5
97.02876	1.8
98.22739	0.9
103.05444	3.0
104.06256	1.7
105.07014	2.9
107.04940	2.5
107.08607	1.6
115.03931	1.4
115.05425	1.9
117.06992	1.0
119.04945	1.7
119.08585	1.7
121.02814	1.0
121.06481	1.7
121.10139	1.2
125.05975	0.9
125.09577	1.3
128.06218	2.5
129.06987	2.5
131.04892	7.9
131.08603	1.6
132.05692	3.0
133.02773	4.6
133.06493	1.4
133.10121	1.0
135.04439	1.2
135.08020	1.4
135.11641	0.9
137.05968	2.1
143.08566	3.5
145.06479	3.8
145.10147	1.0
147.04404	9.1
147.08072	2.8
148.05115	1.1
149.02292	2.3
149.05946	2.8
151.03931	1.2
153.05473	1.5
153.06940	1.0
157.06505	1.4
159.04395	2.4
159.11681	1.3
159.20201	0.8
160.05170	9.7
160.08806	1.0
161.05930	2.4
161.09631	1.6
163.03882	7.5
163.07562	3.7
171.08044	7.6
173.05952	3.8
175.03926	0.9
175.07503	5.8
176.04680	4.7
177.05470	8.2
178.02615	2.4
181.06454	0.9
185.06006	2.6
187.03923	4.8
188.04680	21.3
189.05524	1.7
189.09105	3.7
190.06245	1.0
191.03358	44.4
191.07025	3.3
192.04170	12.9
192.07809	3.4
193.04944	18.0
193.06596	1.4
194.02161	0.9
199.07538	8.1
201.05435	4.6
203.03404	3.4
203.07027	2.3
205.04922	10.7
205.08524	1.6
206.05688	10.8
206.07356	1.8
207.06480	5.8
207.10071	1.7
209.04283	1.1
213.05531	2.1
215.03337	5.0
215.07002	1.2
216.07845	1.4
217.04945	2.7
217.08582	3.1
218.05736	6.4
219.06497	1.7
221.04446	1.2
227.07027	5.7
228.07784	1.3
229.04965	12.1
230.05594	1.7
231.06464	3.3
231.10045	3.9
231.13850	1.1
233.08011	3.8
234.06790	3.3
235.05974	1.1
235.09576	1.1
243.06596	1.6
244.07228	9.1
245.08089	2.7
247.05931	1.4
249.09283	1.2
259.09637	17.1
260.09659	1.1
262.06070	1.7
262.08539	1.5
277.10718	100.0
278.11002	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1068
Annotation	6,7,9alpha-Trihydroxy-3,8,11alpha-trimethylcyclohexo[d,e]-coumarin
Peak:m/z	Relative Intensity
53.03926	0.8
54.82502	0.6
55.01859	3.9
55.05478	1.0
57.03441	0.8
57.58788	0.6
58.03900	0.7
67.05491	2.2
68.99778	6.5
69.03417	1.9
69.07055	6.5
70.82351	1.3
71.04978	1.1
79.05476	2.3
81.03383	0.9
81.07040	2.2
81.07561	0.6
83.01327	1.8
91.05445	3.7
93.03410	1.2
93.07021	1.2
95.04943	1.2
95.08547	0.8
95.99563	0.7
97.02854	1.9
100.41846	0.7
103.05464	1.2
105.07019	2.0
107.04937	3.0
107.08624	1.1
109.06511	1.1
115.03928	1.3
115.05445	3.3
117.06962	0.9
119.04929	3.1
119.08569	1.3
121.06480	2.0
123.04377	0.8
125.05949	0.9
128.06207	14.5
128.07060	1.1
129.06982	8.2
131.04947	4.8
131.08563	2.3
133.06479	3.0
135.04404	4.0
135.08054	0.8
139.05380	0.9
141.06998	2.2
142.07727	0.9
143.08554	23.9
144.08928	1.0
145.06500	4.8
147.04393	6.3
147.08028	2.5
149.02252	1.0
149.05981	2.5
151.03880	0.8
152.06183	1.4
153.05878	0.9
153.06952	3.7
155.06000	2.0
155.08522	2.6
157.06480	5.4
159.04367	2.5
159.08037	5.5
160.05159	2.2
161.05972	3.5
161.09642	0.8
162.03111	1.4
163.03893	9.1
164.04681	1.3
165.06970	1.9
168.05705	1.4
169.06421	1.7
169.07709	0.9
170.07246	1.7
171.04398	2.5
171.08040	21.4
172.08440	1.0
173.05981	3.0
174.06760	1.2
175.03900	2.0
175.07483	6.2
176.04706	0.9
177.05440	7.8
178.02602	1.1
179.03401	1.9
181.06476	2.2
183.08040	2.2
184.05159	4.4
185.05951	10.6
185.09636	1.2
187.03946	3.3
187.07458	1.7
188.04623	3.6
189.05507	3.4
189.09056	1.5
191.03386	20.0
191.07028	1.1
192.04160	14.9
192.07732	1.1
193.04822	1.0
198.06761	1.7
199.03844	1.2
199.07521	27.5
201.05489	7.7
202.06071	0.8
203.03387	13.2
203.06947	3.9
204.04103	1.4
205.04956	6.9
206.05713	2.4
207.06570	0.9
207.10167	0.8
209.06032	0.8
212.04794	1.0
213.05443	3.3
215.03375	4.1
215.06987	1.6
216.04176	1.7
216.07813	1.5
217.04945	10.1
217.08446	1.1
218.05688	1.1
219.06549	0.8
220.93385	0.8
221.04224	0.8
226.06213	1.4
227.07007	26.0
228.07520	1.9
229.04948	20.8
230.05557	1.5
231.06458	8.7
231.10034	4.1
232.07022	0.9
233.08028	1.3
241.08498	1.9
243.06549	2.7
244.07303	6.8
245.08063	3.2
247.09818	1.3
259.09647	16.7
277.10696	100.0
278.10962	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	277.1068
Annotation	Capensin
Peak:m/z	Relative Intensity
55.01851	2.1
55.05491	2.2
66.11592	0.9
67.05484	2.8
69.07053	4.1
69.89409	2.4
79.05482	2.7
81.07053	5.8
81.07439	0.9
83.08582	1.3
91.05428	1.2
93.07030	3.2
94.04070	0.9
95.08586	1.6
98.23418	1.2
98.97570	1.3
107.04947	6.5
107.08535	1.4
109.06545	1.2
111.04486	1.0
121.00604	1.1
121.02848	2.1
121.10165	1.8
135.04407	5.1
135.11667	1.0
137.05981	8.0
138.03069	1.2
141.45319	0.9
149.02324	21.2
153.05420	5.5
163.03903	8.9
166.02602	5.2
178.02551	1.0
181.04939	3.2
188.78197	1.1
194.02100	13.6
206.01981	1.1
207.02853	1.4
209.04433	100.0
210.04674	2.7
219.02892	1.6
221.04492	2.0
247.05977	0.9
277.10785	6.7
277.21573	4.0
295.89743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1069
Annotation	Ptilostol
Peak:m/z	Relative Intensity
50.50216	0.8
55.01871	5.0
55.05496	5.0
57.07071	1.8
59.04997	2.6
67.05489	9.2
68.99773	1.7
69.03430	4.3
69.07055	4.9
71.04978	1.3
79.05477	7.8
81.07050	12.3
83.08601	2.2
85.06531	2.8
89.03909	1.1
91.05463	7.0
93.07025	13.6
95.04971	2.0
95.08593	10.3
97.02866	2.1
97.06511	10.7
97.10130	0.9
105.07029	8.2
107.04980	0.9
107.08573	10.2
109.06487	2.8
109.10133	9.0
111.08041	1.4
112.86614	1.1
113.09624	1.7
115.03944	4.8
115.05415	1.2
117.03323	1.2
117.07013	2.5
119.04927	1.2
119.08568	6.4
121.06511	1.7
121.10104	7.2
123.08071	1.2
123.11698	3.4
125.09617	1.0
125.10784	0.8
127.82687	0.9
128.06221	5.0
129.06993	3.5
131.04932	3.7
131.08572	4.1
133.02811	1.7
133.10117	5.1
135.04369	1.2
135.08043	2.4
135.11685	3.8
137.09554	1.2
141.06978	1.1
143.08510	6.0
144.09250	1.1
145.06483	2.5
145.10106	3.1
147.04373	4.5
147.07967	2.1
147.11665	3.7
149.02316	2.8
149.09608	1.1
149.13242	2.7
151.11111	3.6
153.07004	2.8
155.08560	1.2
156.09210	0.9
157.06439	1.4
157.10143	1.6
157.94472	0.9
159.04414	3.6
159.08063	2.1
159.11679	2.9
161.02357	2.4
161.05960	1.1
161.13251	3.5
163.03918	7.6
163.11099	1.0
165.06856	1.0
171.08018	9.7
171.11684	1.5
173.02354	4.6
173.05980	2.6
173.13242	1.5
174.05511	1.7
175.03871	1.6
175.11166	1.4
175.14893	0.9
177.05455	2.4
178.02562	4.7
181.06483	1.7
183.07982	1.6
184.05101	1.6
185.05975	3.6
185.09573	1.3
185.13235	1.2
187.03856	3.0
188.08282	1.1
189.05521	1.1
189.12740	1.2
189.16423	1.2
191.03387	2.7
193.01277	1.1
193.04942	1.7
198.06613	1.4
198.45955	1.1
199.07451	7.5
201.05437	11.2
201.16376	2.7
203.03333	11.2
204.04033	1.1
204.34137	1.0
205.04968	4.2
206.02115	1.0
213.05472	3.2
214.38574	1.0
215.03377	11.9
215.06900	7.4
216.04167	2.1
216.07715	2.8
217.04840	2.6
219.06528	1.6
221.04417	23.1
221.06538	1.7
226.06165	1.0
227.06967	11.3
228.07674	1.4
229.04909	27.4
231.06506	1.2
231.10136	10.9
243.06503	4.6
244.07288	16.3
245.07930	1.5
259.09613	51.5
259.20547	4.8
260.09940	2.3
274.55609	1.0
277.10696	100.0
277.18561	5.5
277.21585	13.5
277.25079	2.9
278.11084	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	277.1068
Annotation	6,7,9alpha-Trihydroxy-3,8,11alpha-trimethylcyclohexo[d,e]-coumarin
Peak:m/z	Relative Intensity
52.18038	1.0
55.01856	4.0
59.04980	2.2
68.99783	1.6
69.18407	2.0
69.18805	5.3
69.22350	0.9
87.43658	0.8
91.05457	1.1
93.07021	1.2
98.22614	1.2
115.05408	1.6
121.06469	1.0
128.06224	3.7
129.07007	2.5
131.04919	2.8
133.02829	1.2
143.08534	3.7
145.06427	2.7
147.04378	2.6
149.05965	1.1
153.06975	2.1
155.08492	1.1
157.06471	1.4
159.04396	3.0
159.08020	0.8
161.05981	0.9
164.57501	1.0
171.08017	10.4
173.05972	3.9
175.07562	1.3
177.05432	1.8
178.02620	6.7
181.06456	2.0
184.05188	1.7
185.05943	2.1
187.03905	3.5
189.05441	1.5
190.02623	1.1
191.03331	1.3
193.01309	1.4
193.04945	2.7
199.07484	7.0
201.05431	13.1
203.03354	9.8
205.04964	7.1
206.02026	2.0
213.05417	3.2
215.03372	13.5
215.07013	1.4
216.03935	1.6
216.07721	2.8
217.05006	3.9
219.06488	3.4
221.04417	22.7
227.06989	15.2
228.07405	1.2
229.04942	31.9
230.05687	1.5
231.06512	1.5
231.10144	13.3
243.06487	6.7
244.07281	22.1
245.07961	0.9
259.09619	60.9
260.09995	2.1
277.10675	100.0
278.10962	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	277.1069
Annotation	Capensine
Peak:m/z	Relative Intensity
53.03918	1.1
55.05499	2.5
65.03949	1.2
67.05494	4.0
69.03426	2.7
69.07061	11.7
69.39833	5.1
69.40205	2.2
72.91080	1.2
79.05508	5.3
81.03382	1.4
81.07046	6.8
83.05021	1.1
83.08602	1.2
85.06561	1.4
91.05463	3.0
93.07027	5.0
95.04968	1.3
95.08591	4.5
97.02856	1.7
98.22691	1.9
98.97570	1.6
105.03377	1.1
105.07019	4.1
107.04942	5.4
107.08574	3.1
107.36125	1.1
109.06455	1.4
109.10140	3.5
113.09622	1.3
113.28371	1.3
116.98605	1.4
119.08552	2.8
121.02948	1.4
121.10118	6.2
133.02873	1.5
133.10103	2.9
134.99692	1.2
135.04405	4.0
135.11665	3.2
137.05957	1.2
137.09610	1.5
145.10045	1.7
147.11639	1.5
149.02333	19.7
149.13226	1.4
151.11188	3.1
153.05458	4.7
158.13434	1.3
158.98103	1.2
159.11604	1.5
161.13245	2.0
163.03888	8.0
166.02592	3.3
175.14783	1.9
181.04955	3.4
194.02095	9.4
209.04427	100.0
210.04811	2.3
217.19116	1.2
221.04407	1.3
259.20441	1.9
277.10840	1.5
277.13950	1.1
277.18213	2.2
277.21597	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	277.1069
Annotation	Ptilostol
Peak:m/z	Relative Intensity
54.48564	0.4
55.01857	1.3
55.05503	0.8
57.07051	0.6
59.04997	9.5
67.05494	0.8
68.99786	1.2
69.03418	1.3
69.07059	1.4
71.04160	0.6
71.04515	0.6
79.05501	1.4
81.07063	1.6
84.08175	0.5
85.02903	0.5
88.03993	3.1
88.07619	0.6
91.05469	1.2
93.07035	1.8
95.04990	0.5
95.08597	1.4
97.02900	0.7
97.06518	1.3
103.05424	0.5
103.08686	0.6
105.07018	0.7
107.08556	1.5
109.10146	0.7
110.86436	0.5
115.03912	1.9
115.05451	1.1
115.67564	0.5
117.07006	0.7
119.08561	1.2
128.06223	2.2
129.07030	1.2
131.04947	1.6
131.08531	0.8
133.10092	0.6
135.04364	0.9
143.08545	3.7
145.06499	1.2
145.10164	0.8
147.04420	4.5
147.07959	0.6
149.02324	1.2
151.03868	0.5
153.06989	1.1
157.06453	0.9
159.04402	4.3
159.08078	1.1
161.02396	0.8
161.05992	1.0
163.03886	2.6
164.17943	0.6
165.12320	1.0
171.08047	2.9
173.02330	0.9
173.05981	1.3
175.03943	1.9
175.07558	1.5
176.04666	0.7
177.05470	1.8
178.02551	0.5
183.08015	0.9
185.05916	1.8
185.09700	0.6
187.03911	1.7
188.04715	1.4
189.05511	0.5
191.03352	5.3
191.06987	0.8
192.02525	0.5
192.04170	2.1
193.04938	0.6
199.07483	5.6
201.05481	2.2
203.03372	36.6
204.04091	2.8
205.04904	9.9
205.06766	0.6
210.04124	0.5
215.03383	1.3
215.07025	1.3
216.07753	0.7
217.04974	1.5
217.08678	0.5
219.06447	4.5
221.04367	1.1
227.06950	5.8
229.04906	5.1
231.06410	1.2
231.10120	3.2
233.08304	0.5
234.06754	1.0
244.07288	2.6
245.08093	1.2
247.06088	3.9
249.09102	0.7
259.09631	4.9
262.06168	0.8
277.10703	100.0
277.21442	1.4
277.24988	1.6
278.11093	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	277.1069
Annotation	Hamaudol
Peak:m/z	Relative Intensity
55.01866	7.4
55.05499	1.7
57.07076	1.1
60.04452	0.9
61.70224	0.9
62.04214	1.1
65.03922	1.1
67.05492	3.3
68.99779	2.6
69.03417	3.7
69.07052	2.0
69.24694	5.4
69.49068	0.8
73.53156	0.8
75.78526	1.0
79.05474	3.6
80.27312	0.8
81.07040	5.7
85.06504	1.6
88.07608	1.8
91.05458	5.1
93.07037	8.8
95.01347	1.1
95.04945	2.0
95.08595	4.5
97.02876	1.2
97.06573	1.2
99.08089	1.0
103.05454	3.0
104.06239	2.0
105.07011	5.2
107.04945	2.5
107.08586	4.0
109.06493	2.3
109.10135	2.9
115.03826	1.1
115.05383	1.3
119.04925	2.4
119.08568	1.4
121.06485	8.6
121.10145	1.8
125.05978	1.3
125.84646	1.0
128.06221	4.4
129.06978	2.9
131.04916	9.5
131.08510	0.9
132.05687	2.7
133.02834	3.7
133.06445	1.8
133.10156	1.0
135.04425	1.4
135.08080	1.6
135.11696	2.1
137.05977	1.3
143.08545	3.5
145.06482	4.2
147.04381	10.8
147.08055	2.6
149.02339	2.9
149.05969	6.8
149.13284	1.5
153.05492	1.4
153.06960	1.2
156.58507	0.9
159.04376	2.8
159.08031	0.9
160.05177	8.7
161.05934	3.0
161.07291	0.9
161.09546	1.2
162.03058	1.4
163.03879	5.2
163.07498	1.8
164.04649	1.5
171.08026	8.7
173.05986	3.4
175.03938	2.1
175.07544	5.3
176.04695	3.7
177.05444	16.1
178.02605	1.7
179.03458	1.0
181.06691	1.1
185.05916	1.5
186.18518	2.5
187.03786	5.1
188.04669	21.3
189.09039	2.1
191.03366	40.1
191.07007	3.8
192.04144	12.4
192.07820	3.4
193.04910	12.3
199.07475	9.7
201.05463	3.2
202.06194	1.2
203.03384	4.1
203.06931	1.2
205.04938	20.8
205.06795	1.3
205.08484	1.6
206.05722	12.1
207.03181	1.0
207.06538	5.6
207.10135	2.4
213.05563	1.2
215.03384	6.1
216.07822	2.2
217.04945	4.1
217.08601	2.6
218.05701	7.0
219.06467	2.5
221.04340	2.3
223.09694	1.1
226.06029	1.0
227.06993	8.9
228.07831	1.3
229.04926	13.8
230.05652	1.3
231.06572	1.5
231.10127	2.5
233.08040	5.0
234.06747	1.6
235.06061	1.5
235.09605	1.6
243.06483	1.9
244.07265	10.5
245.07935	2.7
249.09175	1.5
259.09616	18.5
262.05975	1.3
262.08496	1.2
277.10696	100.0
277.17551	2.8
277.21780	1.9
277.25305	1.8
278.11075	3.2
278.23206	7.5
278.62064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1068
Annotation	Capensin
Peak:m/z	Relative Intensity
55.01864	2.2
55.05492	0.6
67.05487	0.9
68.99778	1.5
69.03410	0.7
69.07088	0.5
69.60983	0.9
69.61329	1.4
70.06579	0.7
79.05502	1.3
81.03432	0.5
81.07045	1.3
91.05457	2.2
93.07031	1.7
95.08597	1.0
98.22970	1.3
103.05464	1.2
104.06236	1.6
105.07008	1.7
107.04939	1.7
107.08575	0.9
109.06499	0.6
109.10090	0.6
113.29383	0.5
115.05415	0.6
119.04960	1.0
121.02890	0.5
121.06490	1.8
121.10081	0.5
123.04431	0.8
131.04910	2.7
132.05675	3.0
133.02844	0.8
133.06392	0.5
135.11694	0.9
137.05943	0.8
147.04387	4.2
147.08003	0.5
149.02328	1.6
149.05997	2.3
151.03888	0.6
154.05722	0.5
160.05177	7.6
161.05878	0.9
161.09576	0.6
161.74983	0.5
162.03073	2.7
163.03891	9.1
163.07465	0.7
164.04630	0.7
170.77885	0.5
174.35612	0.6
175.03868	2.5
175.07516	0.6
176.04688	1.9
177.05435	22.0
178.02577	4.0
187.03886	4.7
187.05341	0.6
188.04659	20.0
189.05487	1.0
191.03363	59.8
192.04124	11.0
193.04932	8.8
198.90932	0.5
199.07513	0.7
203.03368	2.0
205.04912	13.8
206.05710	13.2
207.06505	2.4
209.04488	0.7
214.21658	1.1
217.08578	1.8
219.02844	2.3
219.06462	1.1
221.04416	13.3
223.09657	1.8
229.05043	0.8
233.08029	2.9
234.06795	1.3
235.05986	7.9
244.07401	0.8
245.08182	1.3
249.09038	0.6
249.11176	13.5
259.09433	1.2
276.25360	0.8
277.10684	100.0
277.25665	1.2
278.10941	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	277.1407
Annotation	Saccharopine
Peak:m/z	Relative Intensity
55.05498	2.9
56.96567	0.9
64.04840	0.8
67.05486	3.2
69.03416	1.8
69.07049	2.0
73.99223	0.7
75.49894	0.8
79.05497	5.6
81.07026	4.4
83.08612	1.0
91.05457	3.0
93.07037	7.9
95.04937	1.2
95.08604	3.1
97.06485	1.0
98.22717	2.7
99.08095	1.7
105.06998	1.4
107.07919	0.9
107.08559	4.2
109.06453	0.9
109.10129	1.4
115.03909	1.6
119.08578	2.1
121.10123	2.6
121.36721	0.8
123.08002	0.8
129.07013	0.9
133.10080	1.2
134.94766	0.8
135.08067	0.8
135.11668	2.5
147.11700	1.2
149.02327	2.6
149.13217	1.4
163.03906	1.0
177.12785	1.2
179.03362	1.6
189.01857	1.5
235.03580	0.8
259.20459	1.1
277.14063	100.0
277.21402	5.7
278.14423	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	277.1658
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
55.01857	0.8
55.02982	0.3
55.05510	0.4
56.05011	0.3
57.72402	0.2
60.05643	3.0
69.03431	3.1
69.38605	1.3
70.06595	0.3
71.04985	0.5
72.08150	10.2
79.05473	0.3
81.03414	0.6
81.07050	0.3
84.04490	0.3
84.08138	0.6
85.02890	1.1
87.04462	0.6
88.03967	0.7
89.10793	1.1
91.05472	5.3
95.06087	0.4
97.02865	2.4
97.07654	1.8
98.06046	0.7
98.22697	0.5
99.04455	0.4
110.22427	0.3
112.39364	0.2
114.10282	21.2
115.03120	0.3
115.03930	7.2
115.08678	3.4
115.10604	0.3
117.05672	0.2
119.04935	21.2
120.05219	0.3
120.08080	0.5
121.06544	0.4
127.03978	0.3
129.07014	0.3
130.06499	1.4
131.12917	4.5
133.04893	0.3
136.07594	0.3
141.06641	0.5
145.08556	0.3
146.05986	1.2
147.04391	100.0
148.04724	2.1
148.91380	0.3
149.02350	0.4
157.10829	0.6
168.08171	0.4
172.07565	1.0
181.07610	0.6
188.07054	0.3
199.08649	1.6
217.13348	4.1
218.11731	3.9
235.14377	0.9
242.08202	0.4
243.08884	0.3
245.09187	3.0
259.10699	1.3
260.13916	10.1
277.12256	2.9
277.16568	49.8
278.11246	1.0
278.16934	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1798
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03930	1.1
53.35368	0.7
55.01864	11.7
55.05503	7.8
57.07066	2.2
65.03916	0.8
67.05497	11.8
69.03411	1.0
69.07071	6.7
69.15192	1.5
69.15592	3.8
71.04974	3.9
71.08621	1.4
79.05031	1.2
79.05479	15.3
81.07047	42.6
83.04964	2.7
83.08624	3.4
91.05470	7.8
93.07034	13.3
95.04958	1.5
95.08591	9.7
97.06525	1.9
98.97542	0.9
99.08059	1.6
105.04488	0.9
105.06995	5.5
107.04939	1.6
107.08578	7.7
109.06505	13.6
109.10152	4.7
109.48799	0.7
111.04431	13.0
111.08077	2.8
115.05417	0.8
117.06993	1.1
119.08584	5.9
121.10134	8.1
123.08028	2.7
123.11681	3.0
125.05981	4.6
128.06213	0.8
129.06949	0.9
131.08546	3.8
133.06419	0.7
133.10104	6.2
135.08040	2.1
135.11684	6.9
137.05960	100.0
137.13234	1.3
138.06316	1.1
142.07732	1.0
143.08560	1.1
145.10114	2.6
147.08011	1.7
147.11633	5.8
149.02332	1.6
149.09637	3.8
149.13254	2.3
151.07518	2.6
151.11150	1.8
157.10080	2.4
159.11646	1.3
161.09590	5.3
161.13261	2.7
163.11119	3.3
163.14865	1.3
165.09061	1.5
165.12685	1.3
168.72136	0.8
171.11662	1.1
173.13251	1.5
175.11189	3.9
175.14893	1.2
177.09247	0.8
179.10658	1.7
185.13264	1.0
189.12627	0.7
193.12209	1.1
203.14331	0.8
203.17902	4.2
205.04872	1.9
205.19394	1.0
207.13797	1.0
207.17287	0.7
213.16394	2.6
221.18959	1.2
231.17435	5.7
235.13312	1.9
241.15868	0.9
249.18504	3.1
259.20526	2.1
277.17999	4.6
277.21582	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	277.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.7
55.05508	6.4
56.96556	0.7
57.07066	2.2
67.05502	10.0
69.07066	5.3
69.07421	1.2
71.08617	2.0
79.05488	12.6
81.07050	38.0
83.04983	2.3
83.08601	3.0
85.06541	1.4
89.34583	0.8
91.05486	5.4
93.07037	11.6
95.04951	2.3
95.08607	7.5
97.06552	1.1
98.97546	1.0
99.08100	1.9
105.04507	0.9
105.07001	4.6
107.04958	0.9
107.08580	5.8
109.06507	14.7
109.10160	4.1
111.04427	11.9
117.07004	1.1
119.08544	5.3
121.06445	0.9
121.10147	5.6
123.08034	1.4
123.11674	2.2
125.05991	4.2
129.07037	0.8
131.08588	2.6
133.10115	5.2
135.08038	2.6
135.11647	5.7
137.05963	100.0
137.13202	1.5
138.06287	1.7
143.08556	1.6
145.10139	2.3
147.08025	1.8
147.11671	5.2
149.02333	2.5
149.09616	3.2
149.13243	2.7
151.07529	3.3
151.11169	1.6
156.09178	1.0
157.10156	1.8
159.11641	1.1
161.09627	3.7
161.13228	2.2
163.11143	3.2
163.14833	1.7
165.09096	2.2
171.11667	1.0
175.11201	2.9
175.14818	0.9
177.12781	1.0
179.10677	1.5
182.02693	0.7
189.12759	1.2
193.12190	0.8
203.17903	3.5
207.76257	0.8
213.16435	2.2
221.18973	1.5
223.14880	0.8
231.17416	4.5
235.13417	0.9
241.15854	1.1
249.18433	3.6
259.20432	2.0
277.14767	1.0
277.17935	3.9
277.21552	6.9
294.89310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.01558	2.0
52.58893	1.6
53.03957	2.5
54.58552	1.8
55.01864	6.1
55.05502	19.5
56.86728	2.0
56.96554	2.4
57.07066	6.5
58.07400	4.8
60.84216	1.8
67.05498	44.7
69.07055	20.8
70.06576	4.3
71.04981	4.3
71.06903	4.3
71.08617	39.6
72.08955	2.0
79.05488	62.7
81.03394	5.5
81.07046	44.9
83.04982	5.3
83.08608	9.6
85.06534	4.2
87.04443	2.3
88.07607	5.1
89.07944	5.4
91.05464	33.7
93.07037	81.4
95.04969	17.3
95.08587	25.6
96.73861	1.9
97.06552	7.8
97.10162	5.4
98.23528	1.9
99.08076	29.5
105.04482	6.3
105.07004	26.9
107.04948	6.4
107.08574	41.8
108.09090	3.9
109.06516	6.1
109.09470	3.0
109.10129	13.7
111.08085	3.8
113.09581	3.0
116.98620	4.3
117.06986	7.1
119.08570	22.0
121.06499	8.3
121.10134	29.1
123.08047	6.1
123.11694	4.6
123.29025	2.2
125.09655	2.1
129.06984	4.4
131.08580	7.4
133.10101	13.3
135.07993	2.2
135.11681	29.2
137.09570	2.6
138.66243	1.8
141.12724	7.5
143.08543	4.8
145.10085	15.0
147.08051	4.5
147.11656	11.0
149.02350	5.8
149.09607	3.8
149.13252	16.8
151.11192	7.2
157.10115	4.7
159.11719	6.3
161.09593	4.8
161.13257	12.8
163.11160	16.9
163.14795	6.8
165.12747	4.4
171.11670	7.7
175.11174	4.2
175.14790	6.5
179.14278	6.7
185.13252	4.8
189.12761	2.6
193.04985	3.6
193.08505	3.1
199.14697	2.4
207.13727	3.8
221.15300	4.6
231.21132	2.7
235.13171	2.7
235.16830	2.9
241.19489	8.0
259.20590	20.4
259.27274	4.4
260.75992	1.9
277.11075	3.3
277.21616	100.0
277.28235	84.0
277.31421	2.3
278.21817	4.7
278.42349	2.0
295.95905	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03946	2.5
55.01879	0.8
55.05505	17.7
57.03421	1.7
57.07072	5.7
58.07397	2.1
59.05011	1.1
65.03942	1.4
67.05161	1.9
67.05498	32.6
69.07063	17.1
69.94178	3.2
70.06585	4.9
71.04980	3.2
71.06918	2.1
71.08602	2.3
77.03912	2.0
79.05480	76.4
81.07046	41.4
83.04962	3.2
83.08618	8.6
85.06512	2.3
88.07602	4.3
89.07948	2.9
90.08052	1.3
91.05464	26.4
93.07029	100.0
93.76722	0.9
94.07324	1.3
95.04955	12.6
95.08598	26.9
97.06490	2.3
97.10142	4.4
103.09483	1.2
105.04475	4.6
105.07017	10.7
107.08569	51.3
108.09067	2.3
109.06499	3.2
109.09402	1.7
109.10123	13.0
115.03963	1.1
117.06998	3.1
119.06065	2.2
119.08553	10.9
121.10124	50.4
123.08041	2.0
123.11678	3.3
125.09615	1.4
129.07001	1.1
131.08524	4.1
133.10104	11.3
135.08008	1.5
135.11670	43.9
137.09590	2.1
143.08566	2.1
145.10124	3.8
147.11679	10.1
149.02299	2.9
149.09633	1.2
149.13225	20.3
157.10052	1.2
159.11662	4.2
161.13222	4.7
163.11151	3.0
163.14810	6.7
173.13225	2.6
175.11078	1.6
175.14809	2.6
181.12241	1.3
185.13300	2.9
193.12244	1.3
195.13808	2.5
199.14748	1.7
207.13823	2.6
213.16428	2.4
221.15283	3.4
221.67145	1.1
228.53368	1.0
235.16920	3.6
241.19417	2.3
259.20526	4.5
259.27148	3.3
272.25433	1.0
277.21616	68.5
277.28241	72.0
278.21890	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	3.2
55.01867	5.3
55.05508	12.8
57.07061	6.9
57.26028	1.5
59.04983	5.4
65.03937	2.1
67.05493	27.6
69.03420	16.9
69.07068	18.2
71.04988	11.1
77.03888	1.7
77.62685	1.5
79.05485	28.5
81.03411	6.9
81.07045	54.8
83.04961	18.5
83.08612	15.1
85.06527	16.7
91.05470	20.4
93.07031	58.4
93.07597	3.4
95.04962	8.1
95.08594	38.6
97.06514	13.1
97.10152	4.4
99.08073	2.7
104.06238	2.1
105.07018	25.4
107.04926	2.6
107.08577	43.0
109.06500	18.5
109.10139	38.5
111.08077	10.2
113.09640	16.6
115.03918	3.1
115.74792	1.6
116.98598	2.6
117.06994	3.4
119.08559	28.9
121.06498	7.7
121.10129	56.9
123.08048	11.3
123.11684	18.5
125.09627	6.3
131.04955	2.5
131.08510	7.8
132.05659	4.1
133.06499	3.8
133.10110	34.7
135.04391	2.4
135.08040	3.8
135.11679	30.5
137.09596	23.0
139.11156	10.0
143.08528	2.4
145.10088	14.3
147.04388	5.8
147.08018	4.4
147.11679	16.6
147.39638	1.9
149.02356	4.5
149.09599	11.0
149.13235	11.9
151.11153	42.2
157.10118	5.7
157.19429	1.5
159.11693	11.7
160.05197	6.0
161.02377	2.2
161.09628	2.5
161.13245	12.0
162.03114	2.7
163.03873	16.1
163.11183	3.1
163.14771	2.7
165.12747	7.1
167.94418	1.7
171.11713	4.9
173.02345	3.0
173.13220	2.1
175.03900	2.2
175.11195	4.4
175.14793	24.8
177.05476	22.4
177.12718	1.9
179.14250	2.1
185.13187	8.7
187.03860	4.9
188.04662	21.4
189.05197	1.7
189.12747	4.7
189.16403	3.5
191.03357	61.3
192.04106	11.5
193.15857	5.5
199.14813	1.8
201.16298	13.1
203.14310	8.9
205.04977	12.1
206.05698	16.3
215.07025	2.5
215.17693	1.8
215.22061	2.0
217.15945	3.3
217.19505	3.0
219.02946	1.8
219.17477	3.6
221.04501	2.0
221.15282	1.8
223.09561	2.9
233.08049	2.7
241.19537	6.5
249.11183	17.0
259.09659	5.4
259.20535	16.8
277.10706	100.0
277.17239	3.4
277.18100	5.2
277.21582	83.0
277.25345	4.1
278.10931	4.5
278.21854	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	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02370	1.8
52.30143	1.4
53.03930	2.2
55.01862	4.5
55.05503	18.5
57.03428	1.8
57.07054	5.8
59.04987	2.4
65.03913	1.8
67.05495	42.5
69.03419	16.8
69.06699	1.9
69.07060	19.3
69.27498	7.7
71.04970	13.0
79.05480	36.6
81.03396	5.4
81.07047	67.6
83.04971	17.9
83.05437	2.2
83.08610	13.7
85.06526	14.2
91.05470	17.8
93.06437	3.7
93.07030	62.8
95.04972	8.2
95.08588	42.6
96.08953	1.7
97.02853	1.5
97.06519	9.9
97.10149	4.5
99.08103	2.0
105.04501	2.1
105.07010	28.0
107.08578	46.1
109.06509	15.0
109.10138	38.9
111.00781	2.0
111.08059	10.6
111.11636	1.6
111.39742	1.6
113.09643	15.1
115.03889	4.6
115.05548	1.4
117.06986	4.4
119.05998	2.1
119.08562	28.5
121.06484	3.9
121.10133	70.3
123.08007	10.1
123.11688	21.0
125.09612	9.3
129.01834	2.8
129.06979	2.3
131.08554	9.1
133.04962	5.4
133.10112	34.4
135.08044	6.1
135.11679	43.0
137.05972	5.7
137.09590	20.5
137.13268	2.3
139.11209	7.9
142.07709	1.9
143.08516	2.6
145.10094	14.8
147.08009	3.8
147.11655	11.9
149.02316	3.3
149.09587	10.9
149.13210	14.8
151.11168	39.3
152.46280	2.0
157.04965	17.1
157.10081	7.5
159.11687	12.3
161.09592	4.5
161.13240	12.9
163.03860	2.5
163.11194	4.1
165.12747	5.4
171.11658	3.2
173.13258	5.5
175.11121	5.3
175.14789	25.5
177.12741	2.6
177.16440	1.7
179.14328	2.0
181.12253	1.6
184.20741	1.6
185.13304	5.1
189.12724	5.6
191.14381	2.8
193.15869	4.3
199.14819	3.7
201.16391	9.6
203.14320	8.7
217.15892	1.9
217.19539	3.8
219.17441	2.4
221.04498	4.9
241.19385	8.5
259.09595	2.4
259.20490	16.0
277.11069	2.1
277.14224	3.0
277.21594	100.0
278.21979	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	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.01862	5.8
55.05507	35.6
57.07055	8.7
65.03928	4.3
67.05141	6.0
67.05492	47.6
69.03413	4.9
69.07056	31.8
69.11843	4.0
70.06590	5.5
70.58348	7.0
71.04995	5.6
76.08142	3.1
79.05488	87.1
81.07049	66.2
83.04948	7.6
83.06094	4.9
83.08580	18.2
85.06551	5.7
88.07607	4.0
91.05456	41.4
93.07030	100.0
93.07597	6.6
95.04948	18.0
95.08582	46.4
97.06513	10.3
97.10165	4.8
97.23549	3.6
103.88165	3.5
105.04506	4.1
105.06998	23.6
107.08576	50.6
109.06526	7.7
109.10138	21.2
111.08045	6.2
116.98588	5.3
117.07041	4.3
119.08569	20.4
121.10129	42.1
123.08086	6.3
123.11658	8.4
131.08533	11.3
133.10132	14.2
135.11685	45.7
137.05966	3.3
137.09555	5.8
143.08626	3.7
145.09987	7.1
147.07988	3.7
147.11650	18.1
149.02315	11.9
149.09561	5.4
149.13223	22.6
151.11154	6.1
159.11659	6.3
161.13249	11.9
163.11179	5.4
163.14780	7.7
165.12744	5.3
171.11703	5.6
173.13165	5.6
175.07494	4.0
175.14900	4.4
177.12897	3.9
185.13159	5.2
193.08551	8.2
207.13718	4.3
217.12131	5.4
217.19560	4.8
227.19223	4.1
231.21217	4.8
235.13293	6.4
259.20554	11.3
263.24478	3.7
277.14108	4.4
277.21567	98.7
277.28195	57.9
278.21945	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	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03932	4.2
55.01859	4.6
55.05497	23.6
67.05492	47.0
68.27369	2.9
69.03412	13.1
69.07047	20.5
70.78857	3.0
71.04978	9.3
79.05481	53.4
81.07043	79.2
83.04980	9.5
83.08611	15.0
85.06527	10.7
91.05472	22.2
93.07028	71.7
95.04945	11.2
95.08591	38.8
97.06512	13.1
105.07011	22.7
107.08576	44.2
109.06496	14.6
109.10137	28.1
111.08046	5.1
113.09658	6.6
115.03922	7.7
116.98605	3.8
117.06958	3.7
119.08550	25.1
121.06521	4.4
121.10116	73.9
123.08063	5.1
123.11691	12.2
125.09637	7.1
131.08530	10.5
133.10110	21.5
135.04361	3.1
135.08115	6.0
135.11671	53.8
137.05942	17.3
137.09586	9.1
137.13240	4.4
139.11131	5.2
145.10107	11.7
147.11665	11.9
149.02333	11.6
149.09668	8.5
149.13240	18.4
151.11171	19.9
157.04999	5.0
159.11688	9.1
161.09584	3.4
161.13220	11.5
163.03871	6.7
163.11194	6.5
163.14880	3.7
165.12796	3.9
173.02385	3.7
173.13251	6.3
175.11140	3.8
175.14774	10.5
175.98929	3.1
177.12720	5.1
178.76360	3.6
181.12204	3.4
189.67178	3.4
195.13763	7.1
199.14906	4.2
201.16289	8.1
203.14313	6.4
217.19379	3.3
241.19376	5.0
259.20639	17.8
277.10333	3.9
277.18008	9.8
277.21591	100.0
277.24936	5.1
277.25781	4.5
278.17667	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02378	1.9
53.03928	2.3
55.05507	17.5
57.07058	5.6
67.05494	38.0
69.07062	17.2
69.63754	7.3
69.64082	2.1
71.08612	4.2
74.78229	2.2
79.05482	74.6
81.07043	44.7
82.83244	2.1
83.08603	10.3
89.06009	5.7
91.05463	29.7
93.07029	100.0
95.04957	10.6
95.08590	26.5
97.10168	3.3
98.97542	2.3
105.04476	3.1
105.07005	18.1
106.37220	2.0
107.08573	50.4
109.06499	4.1
109.10149	13.9
111.88800	2.2
117.07030	2.9
119.08563	9.6
121.06580	2.6
121.10123	43.5
123.08060	2.8
123.11656	3.7
125.09705	2.5
127.05178	2.1
129.07001	2.5
131.08585	4.3
133.10088	15.7
135.08031	2.5
135.11667	63.1
137.05995	2.3
145.10115	5.9
147.11674	7.4
149.02344	2.5
149.13226	26.6
157.10030	2.6
157.81149	2.0
159.11694	2.5
161.13367	4.8
163.11104	3.1
163.14786	6.4
166.68944	2.2
171.11670	3.8
175.11028	2.5
175.14821	2.1
193.12167	2.2
195.13774	2.4
207.13806	3.4
235.13344	4.9
235.16797	5.0
259.20587	6.5
264.30038	1.9
266.69202	2.1
271.45963	2.4
277.18524	5.0
277.21588	82.4
278.17065	2.4
278.95004	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.28852	5.4
53.03939	27.6
55.01858	10.6
55.05510	33.2
57.07080	10.2
61.22150	5.4
63.81963	5.0
67.05500	81.8
69.07058	40.0
71.08620	10.3
72.13576	4.9
79.05485	65.1
81.03400	67.2
81.07047	71.4
83.04963	15.1
83.08617	16.0
85.78042	5.8
91.05466	40.9
93.07041	83.8
95.04960	47.1
95.08591	27.6
97.06521	12.0
99.08100	5.6
100.44884	5.5
105.07013	30.8
107.08584	41.2
109.06521	13.1
109.10162	24.2
111.08027	7.6
119.08563	27.3
121.10145	16.3
123.11667	8.1
125.09660	11.6
129.28400	6.2
131.08551	8.7
133.10085	30.5
135.11661	11.2
140.13542	5.3
145.10146	5.8
147.11676	19.8
149.13231	15.9
151.11195	33.5
153.09058	5.4
161.13235	13.4
163.14890	7.2
165.12746	19.4
171.11719	12.7
179.14291	6.9
214.02313	8.3
217.19504	6.4
231.21124	9.6
259.20587	11.6
265.05389	6.5
277.21600	100.0
278.22037	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	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03935	3.5
55.01860	6.3
55.05506	21.6
56.60841	2.3
57.07055	8.5
58.07335	2.3
67.05157	4.4
67.05495	62.3
69.07053	23.2
69.37714	11.9
71.04968	3.6
71.08623	70.2
79.05035	4.2
79.05480	66.1
79.05937	5.0
81.03382	4.4
81.06560	4.2
81.07042	67.1
83.04987	3.5
83.08601	10.8
83.22081	2.5
85.06527	2.9
85.10173	4.1
91.05466	38.6
93.07033	72.6
95.04940	16.1
95.08592	41.5
97.06506	9.0
97.10155	4.2
98.97594	2.7
99.07438	5.0
99.08075	67.1
103.05426	2.4
105.04433	3.0
105.07005	33.8
107.04939	15.8
107.08566	40.8
109.06485	10.0
109.10155	14.9
111.08064	4.0
113.09643	5.3
117.07011	14.3
119.08568	30.8
120.84766	2.1
121.06478	7.9
121.10128	34.4
123.08059	10.3
123.11700	6.6
127.11205	3.9
129.06946	9.4
131.08534	9.2
133.06456	6.0
133.10115	27.0
135.08000	9.0
135.11678	24.3
137.09633	4.4
139.07518	3.3
141.12738	12.8
143.08537	10.8
143.30630	2.3
145.10109	23.3
147.08009	5.7
147.11667	16.8
149.02321	5.0
149.09540	5.2
149.13232	12.9
151.11156	7.9
157.10110	10.1
159.11684	7.7
161.09566	9.5
161.13231	23.9
163.11169	31.2
163.14824	8.6
165.12720	10.6
167.14241	5.2
169.12213	7.1
171.11624	12.5
173.13258	3.8
175.11101	6.3
175.14801	12.4
177.12729	5.2
179.14281	10.4
185.13199	4.2
189.05473	5.8
189.12776	3.9
189.16309	2.5
193.12181	2.9
193.15741	3.4
207.13777	4.9
221.15289	3.7
231.21031	9.0
235.13245	3.6
241.19505	14.1
249.07483	4.7
259.20554	42.4
277.06934	4.3
277.21567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03923	1.5
55.01868	9.4
55.05252	1.5
55.05505	19.2
57.03429	2.1
57.07059	4.4
57.37912	0.8
65.00302	0.8
65.03918	1.1
66.14809	0.8
67.05496	45.3
69.03413	2.3
69.07059	16.7
71.04987	4.5
71.08625	14.0
75.10126	0.8
77.03917	1.9
79.05482	47.1
81.03412	5.5
81.07047	41.9
82.07340	0.9
83.04965	4.3
83.08600	13.9
85.06540	3.1
85.10186	1.1
88.87579	1.0
91.05464	27.8
92.05798	1.0
93.07030	69.3
94.07385	1.5
95.04959	13.2
95.08595	30.1
97.06519	7.9
97.10168	2.7
99.08075	11.7
105.04502	2.3
105.07011	23.3
107.04926	5.0
107.08575	33.5
108.08900	1.6
109.06486	5.5
109.10135	13.1
111.08073	6.9
113.09641	1.5
114.36375	1.1
115.03958	1.2
117.06979	4.4
119.08557	16.2
121.06487	2.7
121.10130	22.7
123.08044	3.4
123.11697	4.3
125.09602	2.2
127.11320	1.0
129.06990	4.7
131.08554	6.4
133.10109	14.0
135.07994	2.3
135.11678	23.5
137.09599	3.4
137.13261	2.3
139.11137	1.2
141.12733	3.3
143.08524	4.4
145.10114	7.3
147.08058	2.1
147.11665	13.4
149.02335	3.3
149.09595	2.6
149.13235	15.4
151.11162	9.9
151.14760	0.9
153.12830	0.9
157.10080	4.4
159.11661	4.3
161.09605	2.6
161.13237	10.7
163.03795	1.0
163.11165	12.7
163.13567	1.1
163.14798	7.2
165.12766	6.3
169.12213	2.3
171.11661	4.0
173.13274	2.4
175.11192	3.0
175.14790	4.0
177.12761	2.5
179.14285	6.0
185.13243	3.8
189.12737	2.4
193.12289	1.4
199.14888	1.3
203.14288	2.1
207.13745	3.1
209.15276	1.1
217.19502	2.8
221.15285	4.1
231.21077	3.5
235.16895	2.9
237.13347	1.3
239.54803	0.9
241.19437	4.9
249.22075	2.2
251.12785	0.9
255.14349	4.3
259.20538	12.7
277.21591	100.0
278.17398	1.2
278.21860	4.2
287.19769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03928	3.4
54.46535	1.1
55.01859	9.0
55.05502	29.4
57.03429	1.4
57.07067	8.8
65.03931	1.2
67.05496	48.4
67.05857	2.3
68.83136	1.2
69.03410	2.5
69.07057	20.3
69.39097	5.0
71.04965	5.2
71.08614	16.4
77.03905	1.7
79.05480	49.8
81.03388	5.3
81.07043	57.4
83.04957	4.9
83.08611	10.3
85.06512	4.0
91.05462	31.9
93.07027	64.1
95.04950	32.2
95.05473	0.9
95.08588	37.1
97.02835	1.4
97.06522	6.6
97.10155	5.9
99.08070	12.5
105.04485	2.0
105.07009	27.0
107.04929	5.6
107.08575	36.2
107.54716	1.5
109.06515	9.3
109.10136	13.9
111.08057	3.8
117.07011	7.8
119.08562	21.8
121.06500	3.4
121.10123	22.5
123.08044	5.1
123.11677	6.2
125.09618	4.3
129.06973	3.6
131.08553	6.1
133.10127	17.4
135.08070	2.3
135.11668	21.9
137.09579	4.9
137.13211	3.1
141.12727	2.4
143.08531	3.2
145.10124	9.5
147.07977	2.5
147.11646	14.0
149.02335	3.2
149.09587	2.3
149.13226	14.8
151.11166	8.8
153.12790	1.5
157.10074	4.9
159.11667	5.3
161.09528	3.0
161.13214	13.5
163.11165	7.3
163.14798	5.0
164.80316	1.2
165.12683	6.7
167.14261	1.9
171.11674	8.2
173.13185	2.4
175.11131	3.6
175.14828	8.2
177.12717	3.7
177.16286	1.8
179.14243	5.2
181.12207	1.6
185.13228	3.9
189.12712	3.4
193.15819	2.6
199.14807	2.7
203.14302	2.0
207.13797	3.7
213.16277	1.6
217.19496	3.0
221.15373	6.2
231.17540	1.4
231.21001	6.8
233.18904	1.4
235.13316	1.4
235.16920	2.5
241.19466	8.2
249.22127	5.6
259.20490	14.0
277.21573	100.0
278.21902	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.52464	1.8
53.03933	3.0
55.01860	3.3
55.05500	21.6
56.28114	1.5
57.03429	1.9
57.07060	4.1
65.03920	3.4
67.05495	45.8
69.07063	16.3
69.31097	8.9
71.04973	1.8
71.08615	23.1
77.03916	2.6
79.05482	61.8
79.05943	3.2
80.90843	1.6
81.03408	4.4
81.07043	49.6
83.04961	6.0
83.08608	7.8
85.06524	2.6
91.05459	34.3
93.07029	100.0
94.07327	1.8
95.04953	15.3
95.08594	32.5
97.06512	5.7
97.10148	4.0
99.08077	15.8
105.04505	2.2
105.07019	21.2
107.04952	4.2
107.08577	52.7
109.06499	5.9
109.10142	10.2
113.09623	1.7
114.79762	1.8
115.82568	1.9
117.07022	3.9
119.08576	14.4
121.06426	2.2
121.10120	40.4
123.08079	3.0
123.21263	1.6
129.06955	2.2
131.08537	2.8
133.10085	12.2
135.08022	1.8
135.11676	55.1
137.09583	2.6
141.09142	2.0
143.08502	2.5
145.10132	5.1
147.11656	4.9
149.02338	2.2
149.13248	17.8
151.11148	9.6
159.11621	4.3
161.13177	9.4
163.11200	5.6
163.14793	6.8
171.11737	2.4
179.14301	22.4
185.13260	3.5
209.89201	1.8
221.15350	5.4
235.16872	3.5
241.19449	4.1
259.20541	3.5
266.20538	1.9
277.21597	76.0
278.21832	2.2
280.11444	1.8
295.84454	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03928	3.2
55.01856	6.6
55.05502	21.1
57.07058	5.8
65.03906	2.3
66.49438	1.6
67.05495	45.2
69.03384	1.5
69.06757	1.8
69.07061	19.5
71.04978	3.3
71.08611	5.6
79.05038	2.9
79.05479	47.6
81.03403	6.9
81.07046	46.4
83.04964	4.2
83.08603	9.3
85.06517	4.5
91.04929	2.9
91.05465	33.6
93.07029	71.4
95.04951	21.9
95.08595	29.2
97.06497	4.9
97.10146	4.3
99.08072	6.6
103.72538	1.5
105.04524	3.1
105.07019	24.8
107.04948	2.9
107.08578	39.1
109.06479	7.0
109.10142	16.2
111.08069	3.5
113.09596	1.4
117.07000	4.1
119.06053	1.7
119.08559	15.8
121.06556	2.5
121.10123	25.6
123.08056	4.5
123.11693	5.2
125.09599	3.6
129.07016	3.4
131.08556	4.8
133.10101	11.5
135.08087	1.8
135.11674	20.1
137.09578	3.1
139.11160	3.3
143.08508	4.4
145.10126	7.1
147.07973	2.0
147.11653	11.0
149.09593	1.9
149.13254	13.6
151.11151	6.7
157.10123	3.4
159.11652	3.4
161.09586	2.9
161.13229	7.8
163.11133	3.6
163.14795	4.5
165.12744	4.7
171.11638	4.5
173.13239	3.7
175.11150	2.8
175.14801	5.8
177.12762	3.3
179.14293	4.0
181.12248	2.0
185.13242	4.1
189.12737	2.0
193.15854	2.2
195.13657	1.7
199.14789	2.4
203.14395	1.8
207.13908	3.2
213.16159	1.6
221.15318	4.6
231.21109	4.4
235.13287	1.7
235.16853	2.0
241.19487	6.7
249.22147	4.9
259.20529	12.6
277.21585	100.0
278.21942	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	278.102
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
57.07063	7.4
64.63706	6.6
66.94891	7.7
69.94834	20.7
79.05466	8.2
81.07045	13.8
95.08600	12.0
109.10173	7.9
112.77496	6.5
129.07045	7.4
131.04895	58.3
138.06465	6.4
149.02275	42.6
158.05975	23.2
159.06754	18.3
160.17558	6.5
186.05484	50.2
200.06929	8.9
218.08080	95.9
231.41782	6.6
246.07573	100.0
251.08006	12.2
278.17563	14.1
279.07639	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47961	0.3
56.20737	0.4
57.07066	1.0
61.18607	0.3
61.92654	0.4
70.06579	0.5
71.41755	0.4
79.05489	1.2
84.08099	0.5
85.02888	1.6
86.09656	0.5
91.05463	3.0
92.00649	0.4
93.07048	1.9
95.04958	1.2
95.54607	0.3
98.97583	1.2
103.05457	68.2
104.05771	1.2
105.03398	0.6
105.04498	0.5
105.07019	6.1
113.02346	1.9
115.03932	0.4
116.98608	0.8
118.06532	7.0
120.08111	3.7
121.02827	0.4
121.06499	0.7
130.06537	3.5
131.04916	20.4
132.05307	0.8
145.06435	0.5
147.04373	0.4
148.07555	100.0
149.02330	6.8
149.07941	1.8
158.99541	0.4
173.03487	0.6
176.01886	0.4
177.00764	0.4
200.07065	0.6
215.80818	0.4
228.59924	0.4
235.33980	0.4
278.10196	22.6
278.17029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.211
Annotation	Ici 118551
Peak:m/z	Relative Intensity
51.25376	0.4
54.42114	0.3
55.01848	1.0
55.05497	1.9
55.75724	0.4
57.07064	2.6
60.04510	1.1
65.03919	0.4
67.05490	6.9
69.03407	0.5
69.07056	21.5
71.04988	0.5
71.08622	0.9
71.44582	0.4
72.04504	0.4
72.08151	0.7
74.33365	0.3
79.05482	5.4
81.06556	0.6
81.07038	10.9
82.07336	0.5
83.04965	3.3
83.08615	0.9
84.08121	2.4
85.06549	0.4
86.09688	100.0
87.10025	1.2
88.11253	1.3
90.53387	0.3
91.05461	9.1
93.07024	21.9
94.07347	0.7
95.04948	5.8
95.08585	4.0
96.04478	1.0
97.06498	1.6
98.97569	0.8
102.35157	0.3
105.07007	14.9
106.07300	0.6
107.04926	0.4
107.08579	6.6
109.06496	12.0
109.10117	2.7
110.06043	0.5
111.08064	2.7
112.07596	0.6
116.98582	0.6
117.06967	0.4
119.04991	0.5
119.08556	2.8
121.06499	0.8
121.10133	2.0
123.08038	1.7
123.11694	1.3
128.10698	12.0
129.07043	0.6
130.12207	0.4
131.08537	4.1
133.06453	0.8
133.10101	24.1
134.10458	0.6
135.11552	0.4
137.09637	0.4
140.14313	1.2
141.00952	0.5
145.10091	0.9
146.42386	0.4
147.11653	9.1
149.02315	4.4
149.09595	2.1
149.13240	2.9
151.11148	44.9
152.11569	0.8
155.23428	0.4
163.11201	0.8
164.10654	0.4
165.12723	2.9
167.14278	3.6
173.05128	1.3
175.11168	3.1
180.13843	0.4
192.13834	2.4
193.12202	5.0
201.04633	1.2
208.85168	0.4
210.14838	5.2
219.05569	8.2
222.14868	5.0
236.20151	0.4
260.20056	7.7
278.21094	41.4
279.09265	13.7
279.21365	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	8.4
57.07057	1.9
69.03419	0.9
71.34566	0.5
71.43494	0.5
71.95248	0.5
84.08132	6.9
85.02883	0.9
86.66651	0.4
97.02901	0.6
98.97569	100.0
99.04441	1.4
102.73077	0.4
102.96856	1.8
110.97552	17.5
115.03913	0.9
116.98604	47.9
117.05494	0.5
120.97902	0.6
127.12318	3.0
128.98593	17.1
134.99640	14.6
140.00182	0.7
140.98605	0.5
143.00179	1.0
146.99641	7.7
149.01245	0.7
149.02316	14.8
153.00726	0.9
158.99631	40.5
161.01215	0.8
170.99629	8.9
177.00684	57.4
178.01019	0.5
189.00677	20.1
191.02184	0.5
195.01718	5.6
200.02271	0.8
207.01740	10.6
219.01788	7.2
225.02748	0.6
237.02773	7.3
246.90259	0.4
249.02823	1.1
255.03873	4.8
256.04935	1.3
260.95868	0.7
260.99646	0.5
272.95062	0.5
278.96887	2.7
279.00772	0.8
279.03702	4.4
296.97766	1.3
297.04953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98394	0.5
53.87157	0.5
55.01862	0.9
56.05033	7.8
56.96560	8.4
57.07065	5.9
60.95852	0.7
61.01144	3.9
66.71497	0.5
69.40444	0.9
69.40862	1.8
70.06546	0.6
78.19467	0.5
79.05494	0.5
84.04501	14.8
84.08120	2.5
85.02867	0.6
87.02688	1.3
87.04461	1.1
92.86460	0.5
98.23423	1.0
98.97572	100.0
99.04430	0.9
102.05511	1.8
102.96820	1.1
104.05322	12.9
110.97561	11.9
111.04459	0.7
112.86797	0.6
115.03920	1.9
116.98608	56.8
121.02850	1.4
121.03883	0.5
122.06029	0.6
127.12289	1.1
128.98596	13.3
129.07018	0.7
130.05009	3.3
133.03172	9.8
134.99640	20.8
140.00235	0.6
143.00145	0.9
145.06441	0.7
146.99628	7.3
149.02322	36.5
150.02589	0.5
150.05829	15.0
153.00740	2.7
157.06503	0.9
158.01289	0.8
158.99634	35.1
161.01154	0.5
165.00743	0.8
166.08641	0.8
167.03333	0.8
168.06511	1.6
170.99628	6.1
177.00691	67.2
185.05962	1.5
189.00687	14.9
195.01743	6.5
197.02727	2.2
200.02293	1.0
201.00719	0.7
202.08635	0.7
203.07008	1.0
207.01740	7.6
216.06865	1.9
217.08572	1.1
219.01747	8.2
230.94164	0.6
237.02812	7.5
249.02734	0.6
251.58302	0.5
254.94150	0.5
255.03789	3.5
260.99365	0.6
262.07437	0.7
272.95282	1.4
278.96893	1.5
279.00568	1.2
279.03568	3.2
279.09946	2.4
279.13452	1.4
280.11850	2.0
296.97897	1.2
297.04990	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	279.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
56.05021	2.0
56.96551	7.8
57.07061	3.2
57.41938	0.7
58.72803	0.8
61.01162	0.9
64.25716	0.8
69.03416	2.9
69.89594	1.9
70.06573	1.1
71.04978	1.5
73.02913	1.0
84.04498	2.7
85.02890	2.9
97.02887	3.7
98.97569	100.0
99.04434	1.8
103.00627	0.8
104.05311	2.5
110.97555	19.6
110.98289	1.3
115.03915	7.0
116.04251	1.7
116.07078	1.2
116.98605	51.0
117.04398	2.3
117.05418	0.7
118.85554	0.8
119.01860	1.0
119.57423	0.7
121.01666	1.5
121.02834	1.3
126.95356	0.7
128.98584	18.8
130.05011	0.8
133.03201	1.7
133.76479	0.9
134.99631	15.5
136.07527	1.0
136.62959	0.8
140.98654	1.1
143.00189	0.8
146.99625	9.7
149.01270	1.2
149.02325	21.2
150.05844	2.1
153.00684	1.7
158.99637	36.4
161.02971	0.9
163.02705	1.2
167.02768	0.9
170.99643	9.5
176.03316	3.9
177.00691	52.1
178.01030	1.0
185.03891	2.8
189.00697	20.7
195.01749	4.7
200.02229	1.7
203.06981	0.8
207.01723	10.5
213.05228	1.3
219.01764	5.9
237.02773	6.2
240.03818	1.1
247.89917	0.8
255.03860	3.0
270.04999	1.4
279.03720	4.1
279.07193	1.5
279.13376	0.8
297.04819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48238	5.1
55.09119	5.7
56.96558	8.5
63.75837	5.3
69.92039	13.9
69.92403	12.0
98.64837	6.3
98.97579	91.2
110.97617	9.5
116.98618	31.1
128.98593	7.0
134.99707	10.8
158.99654	30.8
161.02994	9.2
177.00760	36.2
177.02130	5.9
189.00706	6.9
201.21985	6.4
237.02884	7.6
279.04736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.093
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
51.02366	0.2
53.03926	0.4
57.07032	0.3
59.92083	0.2
61.50322	0.2
61.96123	0.2
64.98675	0.2
75.73456	0.2
77.03883	1.0
95.00497	1.5
95.04958	2.3
98.22679	0.5
105.04490	0.6
122.99957	0.2
128.06174	0.9
129.06956	0.9
133.02043	0.4
141.00974	0.9
149.02327	1.4
154.07729	0.7
171.03549	2.0
173.05141	7.3
183.03590	1.1
199.03055	0.2
201.04607	24.2
202.05000	0.7
219.05666	57.5
220.06042	1.6
242.07300	0.3
279.09286	100.0
280.09631	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	279.1202
Annotation	ethyl 6,7-dimethoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
Peak:m/z	Relative Intensity
55.05500	1.9
55.25801	0.5
57.07071	6.8
65.03912	0.7
67.05501	2.8
69.07046	1.9
69.78970	1.7
70.00484	0.5
79.05474	1.8
81.07059	4.4
83.08606	1.5
84.08137	3.6
85.06519	0.7
91.05466	1.2
93.07025	2.4
95.04913	0.9
95.08613	3.9
96.57767	0.6
97.10145	0.8
98.97572	2.9
99.04433	0.5
105.07013	0.9
107.08576	2.2
109.10126	2.1
110.97537	0.9
116.98606	2.0
119.08512	0.8
121.02843	2.1
121.10130	1.4
127.12310	1.9
128.98563	0.8
134.99620	1.1
139.03644	1.5
142.11456	0.5
145.10130	1.0
149.02321	43.4
149.13245	0.6
150.02646	1.2
158.99683	0.8
159.11646	0.6
163.07526	0.6
167.03363	0.8
170.95865	0.5
177.00708	1.4
189.00610	0.7
219.05659	1.7
219.07791	0.7
233.11487	1.0
247.07466	0.7
251.10449	0.7
261.22418	0.6
279.12012	100.0
279.23331	1.9
280.12360	2.9
304.23557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1202
Annotation	ethyl 6,7-dimethoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
Peak:m/z	Relative Intensity
56.96523	0.3
57.07071	5.0
65.03927	0.6
67.05487	0.6
67.30113	0.3
70.71020	0.4
73.20975	0.2
79.05498	0.4
81.07046	0.4
84.08130	0.5
85.06489	0.2
86.09716	1.4
91.05459	0.3
95.08582	0.6
98.97579	2.6
103.05452	0.9
110.97541	0.4
116.98614	2.0
120.08093	11.7
120.19882	0.3
121.02856	1.4
121.03899	0.2
121.06504	0.3
123.04402	0.5
127.12231	0.2
128.98605	0.7
132.04465	0.4
132.10201	0.4
133.02843	0.6
134.99652	0.9
145.06473	0.3
145.10052	0.3
147.04393	0.5
148.07544	0.6
149.02327	33.4
150.02649	0.8
151.03833	0.4
158.99657	1.3
166.90730	0.3
167.03406	0.7
172.30461	0.3
177.00644	2.1
189.00752	0.7
189.07321	0.3
191.03436	0.2
204.07532	1.8
216.08394	1.7
219.01680	0.4
234.09532	0.7
262.09036	0.4
266.81506	0.3
279.11996	100.0
280.12393	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	279.1225
Annotation	Merrillin
Peak:m/z	Relative Intensity
53.03946	0.7
55.01863	4.7
55.05490	1.3
57.07068	6.3
58.05817	0.6
65.03928	1.6
67.01894	0.6
67.05494	2.1
68.99783	27.9
69.03416	2.1
69.07056	3.7
69.48397	0.9
69.48773	1.3
79.05482	4.9
81.03419	0.7
81.07044	4.3
83.01317	1.6
83.61918	0.5
84.08124	1.5
85.06524	1.5
86.09663	1.1
91.05460	3.6
93.07038	7.0
95.01343	0.5
95.04940	1.8
95.08585	3.7
97.02897	0.9
97.06558	0.9
98.97573	2.6
99.08044	0.9
103.05457	5.1
105.07012	6.7
107.04955	2.7
107.08589	2.0
109.02909	0.5
109.06503	19.9
109.10145	2.4
111.08124	0.8
115.03933	0.6
115.05479	1.2
116.98605	2.1
117.07001	1.3
119.04926	1.7
119.08571	1.8
120.08092	3.5
121.02835	2.2
121.06490	14.2
121.07317	1.1
121.10124	2.6
123.04440	1.2
123.08037	0.8
123.11695	0.8
127.12348	1.1
128.06215	0.6
128.98602	0.9
129.07013	0.9
131.04922	4.7
131.08568	2.0
133.02853	1.9
133.05388	0.9
133.06468	7.3
133.10086	1.3
134.99651	0.8
135.04410	4.8
135.08025	1.1
135.11676	1.4
137.05949	1.8
137.09659	0.7
143.08536	0.8
145.06519	1.2
145.10115	1.9
147.04413	4.6
147.08043	1.4
147.11714	0.9
149.02319	43.4
149.05943	9.4
149.13255	0.8
150.02689	1.1
151.07451	0.8
153.05505	0.8
155.08575	1.6
159.04410	4.0
159.08026	2.0
159.11705	0.9
160.05173	1.1
161.05972	2.2
161.09621	2.4
162.03177	1.1
163.03889	10.2
163.11151	0.9
164.04582	1.9
165.05489	1.0
167.03415	0.9
173.06015	0.7
173.09633	1.8
173.13312	0.7
175.03868	1.8
175.07562	1.8
176.04611	0.9
177.00664	1.4
177.05441	41.0
178.02513	1.2
178.05818	0.7
179.03398	4.0
187.05104	3.1
188.04735	3.3
190.02625	1.2
191.03351	8.6
191.08482	0.7
192.04147	26.9
193.04933	9.8
201.05412	1.2
201.09109	2.3
203.03371	0.7
204.04140	1.5
205.04930	65.2
206.05545	2.2
207.06544	0.9
207.10129	0.7
219.05875	1.4
219.08160	0.7
219.10101	2.0
219.13606	0.6
229.06316	1.3
229.08566	21.0
231.06528	1.2
233.08110	2.9
236.07019	1.2
243.81290	0.6
247.07527	0.8
251.08119	2.1
251.10587	0.7
253.79071	0.5
261.11099	1.0
261.14874	0.7
279.07761	6.9
279.12241	100.0
280.12659	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	279.1702
Annotation	Phe Leu
Peak:m/z	Relative Intensity
55.54704	0.2
57.07071	1.2
67.05489	0.2
69.07061	0.4
79.05469	0.2
81.07063	0.2
83.66578	0.2
84.08126	0.3
86.09694	5.3
91.05470	0.9
93.07043	2.1
95.04979	0.2
97.02888	0.4
97.30124	0.2
98.97560	0.3
99.04436	0.2
103.05457	6.1
105.04562	0.2
105.07025	0.4
107.04958	0.2
116.98627	0.3
119.07343	0.2
120.08090	100.0
121.02832	0.3
121.08407	1.8
124.07558	0.2
131.04947	0.4
132.10185	2.0
135.08014	0.2
136.07541	0.9
138.09137	0.4
142.08580	0.2
145.01164	0.2
148.85654	0.2
149.02330	7.2
149.07419	0.2
154.08669	0.9
158.99641	0.3
163.03946	0.2
177.05400	0.2
177.09059	0.2
205.04984	0.2
205.53973	0.2
219.08159	0.2
233.16551	0.9
279.09433	0.5
279.12476	0.4
279.17029	2.7
280.17612	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	279.2313
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03939	1.1
55.01854	0.9
55.05248	1.0
55.05500	10.7
57.03426	1.9
57.07070	4.0
65.03935	3.3
67.05492	99.6
68.05827	1.1
69.03406	0.6
69.07053	11.5
71.04975	0.9
71.08612	0.8
71.24474	0.6
73.06530	0.7
79.05475	17.5
81.07041	100.0
82.07363	1.3
83.04977	1.1
83.08613	6.0
84.08104	1.1
85.06539	2.1
91.05467	5.7
93.07027	17.0
95.04934	0.9
95.08588	84.6
96.08949	1.1
97.06515	1.8
97.10171	4.7
98.97598	1.0
99.04443	0.6
99.08067	0.8
104.10764	0.8
105.04516	0.7
105.07021	4.2
107.08576	10.6
109.06522	1.5
109.10136	50.0
110.10505	0.9
111.08089	1.5
111.11703	1.5
117.06984	1.8
119.08543	5.2
121.02818	0.6
121.10121	8.6
123.08020	1.0
123.11681	22.3
125.09578	0.8
127.07598	0.8
131.08556	4.6
133.10133	3.2
135.08058	1.3
135.11665	6.6
137.09579	2.0
137.13220	8.8
139.11166	0.6
145.10068	3.5
147.11658	2.7
149.01218	1.0
149.02319	12.5
149.09579	1.4
149.13243	2.9
149.18584	0.6
151.11169	1.5
151.14864	3.3
153.09082	0.7
159.11685	2.1
161.13252	3.4
163.11122	1.7
163.14781	2.1
165.12695	1.9
165.16379	0.8
167.10686	1.1
173.13214	4.0
177.00699	0.7
177.12711	0.9
177.16351	1.2
179.14259	0.8
181.12181	2.0
187.14775	4.0
191.14240	1.1
195.13756	2.5
205.15788	0.8
209.15317	3.5
219.05566	3.2
219.20920	0.8
223.16885	3.7
237.18401	1.2
243.20978	4.6
261.22067	4.9
279.09381	3.1
279.19562	3.9
279.23096	31.9
280.23499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.07389	0.4
53.03947	0.9
55.05504	10.0
55.05748	0.9
57.03450	0.5
57.07069	3.1
60.96436	0.4
65.03918	3.0
67.05495	95.0
68.05848	0.7
69.07060	10.2
69.81870	1.1
69.82255	0.9
71.04974	1.1
71.08636	0.6
76.36613	0.4
77.03942	0.5
79.05479	12.7
80.51516	0.4
81.07046	100.0
82.07378	1.3
83.04973	0.7
83.08603	5.1
85.06535	1.8
89.02091	0.4
91.05465	4.8
93.07032	11.3
95.04956	1.7
95.08592	79.9
96.08919	1.0
97.06516	2.0
97.10159	2.4
105.06997	2.9
107.08569	9.3
109.06503	1.2
109.10139	46.8
110.10500	0.6
111.08066	1.0
111.11687	0.7
113.09594	0.8
117.07036	1.9
118.85828	0.4
119.08545	3.0
121.02885	0.8
121.10130	8.2
123.08070	2.1
123.11691	27.1
124.12030	0.5
127.07588	0.7
129.07014	0.4
131.08560	4.1
131.42419	0.5
131.46144	0.5
133.10110	2.7
135.08000	1.2
135.11668	5.0
137.09615	1.0
137.13229	9.0
145.10094	2.8
147.11644	2.6
149.02325	6.5
149.09615	1.4
149.13257	2.3
151.11183	1.3
151.14813	2.5
159.11678	2.4
161.13258	1.4
163.11197	1.2
163.14810	1.8
165.12724	1.1
165.16409	0.9
167.10640	0.9
173.13226	3.1
175.14806	0.6
177.12750	1.2
177.16333	0.9
179.14413	0.8
181.12161	1.4
187.14738	2.8
189.00623	0.6
191.14273	1.1
195.13771	2.3
201.16426	0.8
205.15756	0.5
209.15300	2.2
219.05602	0.8
219.17374	0.6
219.21143	0.7
223.16908	3.4
237.18452	0.9
243.21013	3.0
261.22098	4.3
279.09320	1.0
279.20078	1.5
279.23145	40.3
280.23474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03937	0.8
55.01865	0.6
55.05252	0.7
55.05503	9.6
55.09436	0.4
57.03428	1.0
57.07072	2.1
57.53865	0.4
61.50745	0.4
62.55144	0.3
65.03928	2.9
66.04702	0.4
67.05493	100.0
68.05822	0.6
69.07057	9.9
71.04967	1.4
71.05960	0.5
79.05479	13.4
81.07043	99.3
82.07375	1.2
83.04973	0.8
83.08609	5.7
84.08173	0.5
85.06522	1.4
91.05462	4.2
91.11681	0.4
93.06442	0.6
93.07030	13.0
95.04956	1.0
95.08591	81.8
96.08933	1.3
96.75552	0.4
97.06503	1.3
97.10154	3.3
97.67632	0.4
99.08055	0.7
105.07001	2.6
107.08581	8.5
109.06472	0.5
109.10139	44.5
110.10502	0.7
111.08048	0.5
111.11723	0.9
117.06998	1.5
119.08547	2.6
121.10126	6.6
123.08059	1.6
123.11688	22.1
125.09563	0.6
127.07570	0.8
131.08548	3.8
133.10117	3.4
135.08015	1.0
135.11676	5.0
137.09618	1.7
137.13223	9.8
141.09129	0.5
145.10063	2.3
147.11659	2.1
149.02330	3.0
149.09592	1.3
149.13203	2.4
151.11139	1.0
151.14793	2.7
153.09070	0.7
159.11671	2.3
161.13225	1.8
163.11130	1.6
163.14798	1.6
165.12743	1.0
165.16339	0.9
167.10609	0.8
173.13222	3.2
175.14786	0.4
177.12711	1.5
177.16354	1.1
179.14313	0.6
180.69710	0.5
181.12215	1.5
187.14787	2.5
191.14261	1.6
195.13757	2.1
201.16280	0.7
205.15863	1.0
209.15327	3.2
214.76178	0.4
219.05612	0.7
219.20927	0.8
223.16847	3.2
237.18466	0.9
243.20985	2.2
261.22107	3.8
279.09381	0.5
279.19690	1.8
279.23129	34.4
280.23431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	Crepenynate
Peak:m/z	Relative Intensity
55.01863	21.1
55.05499	28.3
57.07059	16.2
67.05494	75.0
69.07059	42.6
69.40366	13.1
71.04993	4.4
71.08266	4.7
71.08620	64.0
71.93151	2.6
74.90456	2.6
79.05480	34.3
81.06562	5.6
81.07041	100.0
83.04956	9.5
83.08615	24.3
85.06525	3.0
85.10164	3.5
91.05476	20.9
93.07034	41.8
95.04949	4.9
95.08590	79.8
97.06505	12.5
97.10144	12.1
99.08074	55.1
105.07010	19.0
107.08579	25.9
109.06499	3.6
109.10142	24.4
111.08059	7.2
111.11704	3.6
113.09644	5.3
117.07034	3.8
119.08550	9.8
121.10123	24.8
123.08038	3.6
123.11678	12.5
131.08562	15.8
133.10121	5.1
135.08057	3.1
135.11684	16.9
137.09593	2.8
137.13266	8.3
145.10121	9.8
147.11678	40.0
149.02324	41.5
149.09583	7.5
149.13229	7.4
153.12714	34.8
159.11671	3.3
161.13242	5.1
163.11169	10.1
163.14778	7.5
165.12698	14.2
167.14249	3.0
173.05026	3.2
173.13197	5.2
175.14796	3.6
181.12199	4.7
181.15855	8.0
201.04552	4.7
209.15291	3.5
219.05621	26.7
219.32430	2.6
233.22610	7.8
243.21004	9.9
261.08841	3.0
261.22162	26.1
279.09265	33.8
279.23148	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05499	7.8
57.07067	3.7
65.03925	2.8
67.05495	100.0
68.05820	1.4
69.07050	9.9
69.74049	1.8
69.74427	1.4
71.04984	2.2
79.05479	13.4
81.07045	94.9
82.07397	1.2
83.04960	1.3
83.08590	4.3
85.06519	2.0
87.61927	0.9
91.05484	4.8
93.07034	12.5
95.08594	66.2
97.06523	1.3
97.10160	2.2
98.23347	1.7
98.97576	1.5
99.08092	0.8
105.07013	3.4
107.08595	7.0
109.06537	1.1
109.10140	23.3
111.08048	0.9
117.07037	1.5
119.08595	2.6
121.10114	7.9
123.11688	11.3
127.07545	1.1
131.08551	4.3
131.43570	0.8
133.10161	2.1
135.11668	5.6
137.13252	7.3
145.10060	2.0
147.11737	2.1
149.02324	14.3
149.09615	1.6
149.13248	3.2
151.14789	2.2
159.11702	1.7
161.13261	1.6
163.11197	1.3
163.14877	1.6
165.12689	1.0
173.13266	3.3
177.12723	1.6
177.16248	0.9
181.12260	1.1
187.14899	2.5
191.14366	1.0
195.13869	1.0
201.72484	1.0
209.15375	1.9
219.05739	2.0
243.21008	1.2
261.22009	2.4
279.09244	4.0
279.23181	15.0
302.22321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03940	1.9
55.01867	5.5
55.05254	1.3
55.05507	18.6
57.03418	3.8
57.07061	4.5
57.78001	1.1
65.03934	2.9
67.05499	85.6
69.07065	19.9
70.07335	1.0
70.71260	1.5
70.99165	0.9
71.04971	2.8
71.08626	94.4
78.35786	1.1
79.05484	29.4
81.07050	100.0
82.07346	1.0
83.04978	7.0
83.08613	13.9
85.06517	3.7
87.85777	1.0
91.05473	26.3
93.07035	27.2
95.04945	3.1
95.08598	71.9
97.06516	10.2
97.10160	5.3
99.08087	79.3
100.08514	1.3
105.07020	24.2
105.07722	1.4
107.08587	16.3
108.32194	1.2
109.06491	3.3
109.10152	26.4
111.08067	4.7
113.09611	1.5
117.06995	4.8
117.09163	1.2
119.08569	15.1
121.10123	16.9
123.08083	2.6
123.11689	10.7
125.09606	3.1
125.58467	1.1
125.84377	1.1
127.11168	5.7
131.08543	10.7
133.10141	4.1
135.11690	15.2
137.09492	1.1
137.13252	12.1
139.11168	2.4
141.12706	1.3
145.10104	10.5
147.11674	52.7
149.02374	5.3
149.09607	2.5
149.13234	8.1
151.11168	2.6
151.14772	4.8
153.12718	13.1
159.11658	3.0
161.13231	6.1
163.11177	11.6
163.14777	14.0
165.12744	29.9
165.16479	1.8
167.14363	3.0
173.13277	9.7
177.12729	2.4
177.16397	1.6
181.15868	8.3
187.14806	2.5
191.14174	1.3
195.13774	1.6
209.15350	3.3
223.16985	2.6
233.22588	3.5
243.21080	12.9
251.23645	1.4
261.22125	21.1
279.09381	1.5
279.23160	72.1
280.23447	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	280.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10619	0.3
55.01866	0.6
55.42884	0.3
58.10725	0.4
65.83632	0.3
69.48418	1.7
77.03904	0.6
79.05486	0.8
85.53467	0.3
85.94416	0.3
85.95084	0.3
86.09670	0.4
87.04461	0.8
91.05470	3.4
92.96268	0.4
93.07036	1.8
95.04951	0.9
98.52084	0.3
103.05453	68.2
104.05786	1.5
105.04478	0.8
105.07019	4.9
107.73013	0.3
115.03922	1.2
118.06525	7.0
120.08091	3.4
129.29111	0.4
130.06512	3.5
131.04904	22.2
132.05286	0.6
132.38705	0.4
148.07545	100.0
149.02327	0.8
149.07912	2.7
150.02698	0.4
182.01266	0.4
193.13959	0.4
280.11765	20.6
281.12088	0.8
281.14874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98536	0.7
55.01862	30.1
59.01365	0.9
67.58991	0.8
74.95208	0.8
87.04456	36.3
89.56426	0.8
91.05457	3.2
93.07018	2.0
95.04948	1.5
103.05456	21.3
105.07005	5.2
107.04938	1.3
115.03913	100.0
115.05419	4.6
116.44911	0.8
117.07010	3.1
118.06523	2.0
119.08544	2.4
120.08096	2.8
121.06473	3.9
122.06012	8.7
128.06174	2.5
129.06982	19.8
129.27829	0.9
130.06462	1.2
131.04915	6.8
131.08560	5.1
132.04417	1.3
132.05569	0.9
132.08124	1.1
133.06465	3.8
141.07016	5.0
143.04884	4.7
144.05695	1.3
145.06430	6.9
147.04370	1.4
147.08020	16.3
148.07542	15.7
149.05968	2.2
150.05466	6.0
156.08054	3.0
157.06474	29.2
159.08022	5.1
160.07564	2.5
160.15746	0.9
161.05998	5.9
166.08607	18.0
171.04417	1.2
174.09180	5.0
175.07515	16.9
184.07568	5.9
185.05951	23.4
185.07574	1.7
187.07516	2.4
189.05447	0.9
189.09084	1.7
202.08609	13.9
203.07002	28.4
204.07384	1.1
213.05429	2.9
217.08572	48.3
218.08896	2.4
219.09880	1.1
228.24330	1.0
230.08159	6.1
231.06505	7.9
235.09650	6.2
245.08064	7.7
248.09029	1.5
263.09137	1.9
280.11758	49.7
281.12225	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80772	1.4
68.99765	2.8
70.38316	2.6
75.10063	1.4
90.94557	1.4
91.05461	4.4
103.05441	11.7
105.07006	2.9
107.65398	1.5
112.03972	2.4
112.49612	1.5
115.03835	2.2
115.05438	17.0
117.07008	10.9
118.06535	2.1
120.08128	2.4
127.05289	1.7
128.06172	4.3
129.06075	3.0
129.06990	34.6
130.06506	5.3
131.04903	4.0
131.08575	1.9
132.08064	4.3
141.06975	13.7
142.06499	9.3
143.04836	3.0
143.07277	3.4
143.78912	1.6
144.08058	26.9
145.06473	8.9
146.05917	1.8
146.09648	4.4
147.08018	2.6
148.07565	19.4
150.02672	1.7
150.07852	1.6
154.06496	2.3
155.06079	2.9
156.08061	100.0
157.06448	21.7
157.08873	8.8
159.06760	2.7
159.08032	2.9
160.07536	4.8
162.09074	9.3
166.06398	2.3
169.06514	2.2
170.05998	50.3
171.04399	12.1
172.07536	46.3
174.09102	26.2
175.07507	3.3
181.52647	1.7
184.07552	55.2
185.05922	3.3
188.07072	4.7
189.05479	10.4
200.07050	12.7
202.08609	21.7
212.07019	9.8
213.05443	2.9
216.10117	22.3
217.08562	4.4
220.09639	1.8
230.08130	8.5
232.09727	3.4
234.11218	72.6
235.11481	3.2
244.09653	3.4
248.09035	3.2
262.10712	11.3
280.11716	7.0
281.14932	2.3
300.13037	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91956	1.4
55.05507	2.1
56.96560	2.0
57.03413	1.5
57.07069	2.4
67.05486	4.2
69.08577	4.6
69.09010	4.6
79.05499	3.9
81.07033	6.5
83.08585	2.3
91.05451	7.1
92.16176	1.7
93.07014	4.7
95.04946	2.3
95.08593	5.0
98.97583	1.8
99.04430	1.5
104.04988	4.1
105.07044	2.3
106.82250	1.7
107.08538	2.5
109.10143	1.7
119.08609	2.9
120.08092	2.2
125.55881	1.5
131.04913	1.9
132.04430	100.0
133.02757	2.0
138.80949	1.3
149.02347	8.2
150.02609	10.7
161.12961	1.6
164.05745	3.0
164.07047	36.6
165.49731	1.4
171.11630	1.6
216.55161	1.4
234.36946	2.3
241.00638	1.5
262.22131	1.8
280.22641	8.7
281.17612	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01614	2.0
55.01867	25.1
56.05019	4.3
57.07046	1.6
69.03410	1.5
79.05473	3.5
83.06085	2.9
84.04498	100.0
85.02901	8.5
87.04465	29.5
91.05451	4.7
95.04961	3.0
98.23511	2.8
98.97566	3.0
99.04429	1.4
101.07140	19.1
102.05537	4.1
103.05463	13.1
105.07016	2.7
106.06550	16.7
107.04945	48.6
107.05674	2.5
115.00487	1.2
115.03924	66.8
117.04294	1.4
117.07001	2.5
118.06487	1.7
119.08548	1.9
120.08077	4.2
121.02837	1.6
121.06472	3.2
122.06014	6.9
128.06201	3.2
129.07011	14.0
130.05000	37.2
130.06473	2.8
131.04897	5.1
131.08539	3.2
133.06456	2.6
134.06001	56.2
135.04408	10.7
141.07001	3.1
143.04915	3.9
144.08076	2.8
145.06482	6.5
147.08025	12.5
148.07574	10.2
149.02357	6.1
150.02695	5.4
150.05496	3.8
151.08664	11.5
152.07048	45.8
156.08134	2.4
157.06456	21.3
159.08044	4.4
160.07527	2.3
161.05942	3.4
166.08615	16.2
171.04454	1.5
172.06155	2.2
172.07523	11.5
174.09123	3.6
175.07486	12.0
175.08711	1.4
177.00812	2.0
184.07529	2.7
185.05974	18.0
187.07510	2.1
193.09735	3.0
200.07027	15.9
202.08586	9.7
203.06949	18.3
213.05368	1.9
217.08565	34.4
230.08080	5.3
231.06445	7.1
235.09575	3.4
245.08093	2.9
246.07588	36.4
263.10260	13.6
263.13800	3.3
280.12885	77.9
281.12894	2.4
303.14609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01862	18.1
57.07054	1.3
65.03915	2.2
67.05498	7.4
69.93816	4.9
77.03917	2.3
79.05480	70.5
81.03413	11.3
83.04954	1.7
85.02882	3.9
87.04458	10.8
91.05472	5.2
95.04959	24.6
96.26268	1.4
99.04428	9.3
103.05446	1.5
104.34451	1.6
105.03365	9.9
105.04475	2.2
105.07001	2.2
115.03905	12.4
115.05416	4.7
117.06958	2.9
121.02830	4.2
121.06496	3.0
123.04413	86.7
128.06210	4.8
129.06989	23.3
131.04921	3.2
131.08542	5.0
133.02829	52.8
133.06447	9.0
143.04886	6.1
145.06366	8.5
147.04410	2.7
147.08006	4.2
149.02313	20.0
151.03877	100.0
152.04179	2.5
157.06456	27.7
159.08032	2.9
161.05989	8.7
171.04388	1.7
175.07507	28.7
185.05948	21.0
187.07445	7.8
189.05388	7.5
203.06979	40.6
213.05429	8.3
217.08594	15.0
221.08104	1.6
231.06480	18.6
249.07561	15.2
267.08591	10.7
281.11719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.7
53.03927	3.3
55.01864	22.3
58.08604	1.6
65.03943	2.0
66.54862	1.4
67.05486	6.6
69.03404	2.3
69.69383	1.4
70.92792	1.8
70.93145	1.5
71.04981	2.0
74.98892	1.4
77.03906	1.9
79.05478	61.2
81.03409	12.4
81.07012	1.9
85.02888	4.6
87.04471	8.2
91.05460	7.3
93.03389	1.8
93.07033	5.0
95.04950	26.7
95.08621	1.5
97.02842	1.5
97.06509	1.7
98.97568	3.0
99.04449	9.5
103.05434	3.3
105.03388	9.1
105.07028	3.9
107.04945	4.2
107.08582	2.2
109.06555	1.6
115.03922	13.2
115.05399	4.3
117.07006	3.6
119.08524	3.0
120.08084	1.7
121.02833	2.7
121.06477	3.1
123.04414	76.5
123.08027	2.0
124.04726	2.0
126.83770	1.6
128.06186	3.7
129.06981	18.2
131.04913	4.2
131.08604	3.9
133.02831	43.5
133.06474	7.6
135.04369	4.2
141.06944	2.7
143.04932	4.4
145.06471	6.7
147.04376	4.7
147.08029	6.0
149.02316	19.3
149.09630	1.8
151.03882	100.0
157.06470	28.4
161.05888	9.1
165.06953	2.0
165.09070	2.0
175.07506	23.5
185.05945	18.9
187.07521	9.2
189.05453	7.4
203.07008	42.4
203.08876	2.9
213.05414	7.4
217.08557	18.8
231.06500	19.5
249.07503	17.7
251.09163	2.3
253.08554	1.9
253.12207	1.7
267.08594	11.5
281.09750	1.9
288.13104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98799	13.0
69.03423	14.7
70.13251	22.4
70.13566	15.6
79.05478	31.3
81.07035	27.1
86.09686	24.8
91.05455	16.9
93.07029	23.7
95.08611	17.8
105.06976	19.7
107.04973	12.9
117.07034	14.3
119.04946	14.0
119.08508	18.2
120.08080	14.5
131.04907	29.2
137.05945	29.3
158.05966	15.4
186.05489	27.6
218.08090	73.3
221.09683	17.2
236.07021	36.6
246.07576	100.0
253.12067	15.9
281.09088	27.0
281.11844	17.0
283.92377	13.7
299.05984	14.0
301.18442	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98799	13.0
69.03423	14.7
70.13251	22.4
70.13566	15.6
79.05478	31.3
81.07035	27.1
86.09686	24.8
91.05455	16.9
93.07029	23.7
95.08611	17.8
105.06976	19.7
107.04973	12.9
117.07034	14.3
119.04946	14.0
119.08508	18.2
120.08080	14.5
131.04907	29.2
137.05945	29.3
158.05966	15.4
186.05489	27.6
218.08090	73.3
221.09683	17.2
236.07021	36.6
246.07576	100.0
253.12067	15.9
281.09088	27.0
281.11844	17.0
283.92377	13.7
299.05984	14.0
301.18442	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1382
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
50.94373	0.4
53.03941	0.9
55.01873	1.3
55.05505	2.1
57.03425	1.5
57.07082	0.6
59.04990	0.6
65.03924	0.6
67.05505	2.5
69.03423	84.7
69.07057	0.7
69.59142	1.2
69.59531	0.9
70.03775	0.7
71.04996	0.6
72.04527	0.4
73.02901	1.8
75.04477	1.9
77.03925	0.7
79.05489	12.6
81.07051	5.4
83.05031	0.6
83.08613	0.6
85.02921	1.0
87.04455	0.9
91.05476	11.3
91.06043	0.6
93.07037	51.3
94.07370	1.2
95.04966	5.3
95.08616	2.8
97.02885	100.0
97.06520	0.9
98.03219	1.0
98.10679	0.4
98.97583	1.6
99.04434	1.0
105.04529	2.4
105.07014	6.0
107.05001	0.7
107.08578	4.7
109.10146	1.1
111.08121	2.3
115.03921	81.7
116.04244	1.2
116.98609	1.4
119.08576	2.1
121.06521	1.2
121.10137	39.1
122.10509	0.6
123.08047	0.9
123.11694	1.4
131.08549	2.9
133.04942	0.9
133.07594	0.7
134.99657	0.8
139.11163	1.6
146.64975	0.4
149.02364	0.5
149.09621	6.0
167.10777	2.4
175.07487	0.6
236.07059	2.9
258.99686	0.9
263.09213	0.8
277.00748	1.6
281.13995	8.0
282.07730	0.7
299.06067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
57.03426	3.5
67.05508	1.6
69.03421	73.4
70.72237	1.4
73.02923	2.4
75.04469	4.5
77.03933	1.2
79.05482	8.5
81.07048	3.1
91.05479	8.8
93.07030	57.0
94.07362	0.9
95.04958	4.5
95.08598	2.4
97.02877	100.0
101.71328	0.8
105.04514	1.1
105.07014	5.2
107.08579	2.8
111.08061	2.7
115.03914	84.9
115.20646	0.9
116.04282	1.2
119.08518	1.5
121.10127	45.5
123.08062	1.4
123.11674	1.4
131.08551	2.7
139.11125	1.3
146.41821	0.8
149.09604	6.8
167.10632	4.6
182.54742	1.1
225.08754	0.9
281.08115	0.9
281.13831	7.8
295.58688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
51.90741	0.4
53.03937	1.2
55.01865	0.9
55.05504	2.1
57.03417	2.4
57.70220	0.4
59.04992	0.5
61.58063	0.4
67.05484	2.3
69.03419	84.1
69.07087	0.6
70.03758	1.0
73.02920	1.4
75.04479	1.2
77.03907	0.9
79.05479	13.3
79.05942	0.8
81.07050	4.7
85.02914	0.8
87.04465	0.6
91.05463	9.5
93.07031	51.5
94.07353	0.5
95.04955	4.6
95.08611	1.9
97.02878	100.0
98.03214	0.8
98.22683	1.0
98.97547	0.6
105.04517	1.5
105.07014	6.4
105.59195	0.5
107.04998	0.6
107.08572	5.1
109.06497	0.6
110.50136	0.4
111.08073	2.3
115.03913	83.6
116.04258	0.7
116.06239	0.6
119.08575	1.4
121.06479	0.5
121.10127	40.2
122.10471	0.8
123.08014	1.2
123.11695	1.2
125.05968	0.7
131.08540	2.1
133.04965	0.6
133.06479	0.7
133.10127	0.7
139.11150	1.7
149.02271	0.5
149.09573	6.6
154.74171	0.4
161.06042	1.9
167.10663	3.8
181.04898	0.5
189.05531	0.6
221.07947	1.9
233.08092	0.9
263.09158	0.5
281.13889	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.01860	5.8
55.05502	32.6
56.96568	2.1
57.03429	24.3
57.07049	3.5
57.49684	1.3
58.98801	1.6
59.04992	1.4
65.03925	5.5
67.05492	82.4
69.03419	3.2
69.07056	17.6
69.11059	3.9
69.11469	6.1
71.04981	4.6
73.06539	4.2
78.53073	1.6
79.05478	100.0
80.64290	1.3
81.03407	16.2
81.07042	69.9
83.04967	36.0
83.05434	2.8
83.08599	10.7
85.02939	1.8
85.06517	2.3
88.47780	1.2
91.05461	67.4
93.06437	3.6
93.07029	74.4
95.04950	34.4
95.08588	39.7
95.09206	2.5
97.06499	7.4
97.10159	5.5
98.22666	2.2
98.97559	10.3
99.08105	1.9
103.05437	2.7
104.99268	5.2
105.04494	2.9
105.07012	54.5
107.04949	10.1
107.08579	19.0
109.06494	8.2
109.10123	7.4
111.08082	1.8
113.09615	1.4
116.98553	9.0
117.07007	11.9
119.08565	30.9
121.06460	3.7
121.10133	5.7
123.08035	9.0
127.07527	2.3
128.06203	3.1
129.06981	21.2
131.08568	2.3
133.06479	1.8
133.10104	12.5
134.99629	4.3
135.11653	4.4
143.08530	11.1
145.10083	12.6
147.08063	3.9
147.11655	40.0
159.11664	2.0
161.09634	4.8
161.13214	18.9
163.11101	1.7
171.11647	27.4
172.12051	1.7
189.12746	10.9
207.13747	13.2
235.11307	1.6
258.99673	5.6
263.12799	1.7
277.00873	10.3
281.17374	35.8
282.17813	2.2
282.88177	1.6
299.06149	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.3
55.01867	5.9
55.05507	36.0
56.96548	5.9
57.03429	27.4
59.48983	3.2
65.03944	4.7
67.05497	85.8
68.57148	3.5
69.03398	4.7
69.07047	15.0
69.84685	13.6
71.04972	3.7
75.09020	3.3
79.05486	100.0
79.90225	3.2
81.03401	13.8
81.07047	67.9
83.04966	33.4
83.08585	7.5
91.05468	68.8
91.05991	7.2
93.07043	64.3
95.04970	30.9
95.08598	37.1
97.06557	7.0
97.10128	6.7
98.23434	4.7
98.97571	28.7
99.08087	4.0
104.99258	15.0
105.04463	6.6
105.07019	56.9
107.04933	10.2
107.08593	25.3
109.06486	11.0
109.10125	9.1
116.98602	21.9
117.07070	7.2
119.08587	28.0
121.06458	9.0
121.10089	7.5
123.08057	7.7
128.06224	4.6
129.06960	14.3
131.08533	8.5
133.10089	17.1
134.99632	18.0
137.09561	4.2
143.08565	11.9
145.10139	9.8
147.08002	4.3
147.11682	35.3
153.00639	4.5
161.09584	8.7
161.13242	15.0
171.11646	25.6
189.12730	14.7
207.13742	13.5
223.14792	4.8
234.92102	5.6
258.99765	12.7
263.18027	4.3
267.70334	3.7
277.00833	26.1
281.16959	31.5
291.12128	4.3
299.06094	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02663	1.5
53.03937	6.5
53.21360	1.8
55.01859	4.6
55.05251	2.6
55.05505	33.2
56.96563	1.6
57.03431	24.5
57.07064	3.3
60.03002	1.3
61.74312	1.7
65.03921	5.4
67.05498	83.1
69.03434	1.8
69.07060	14.9
69.59187	5.9
71.04979	3.6
73.06566	3.7
79.05486	100.0
81.03404	15.4
81.07050	61.4
81.07415	0.9
83.04977	33.9
83.08617	9.1
85.06511	3.3
91.05470	66.9
93.07034	69.6
95.04965	33.4
95.08597	40.5
97.06512	6.2
97.10146	4.8
98.23421	3.2
98.97592	9.9
99.08058	2.0
105.04521	4.8
105.07018	54.0
107.04926	11.4
107.08583	25.2
109.02835	1.8
109.06506	10.3
109.10139	9.9
111.08109	1.9
113.09682	2.1
115.05433	1.8
116.98607	10.1
117.07017	9.8
119.08562	29.9
121.06482	5.4
121.10113	6.4
123.08064	7.8
127.07560	2.3
128.06206	3.6
129.06998	19.8
131.08569	5.5
133.10127	16.4
134.99658	4.9
135.08086	1.5
135.11690	2.8
139.47849	1.6
143.08537	6.8
145.10117	10.4
147.08009	2.6
147.10559	2.7
147.11668	35.1
151.11156	2.0
154.12163	1.7
156.09386	1.7
159.11754	1.9
161.09607	2.8
161.13240	16.4
171.11685	28.9
189.12689	8.5
207.13757	14.0
258.99762	9.5
277.00729	11.5
281.07950	3.7
281.17374	36.9
282.07297	11.4
299.06146	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	281.1897
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
53.03928	1.1
55.01851	1.7
55.05504	8.8
56.96556	2.3
57.03425	3.2
57.07051	3.1
61.25478	0.9
67.05493	16.4
69.03413	8.4
69.07058	7.4
69.83523	3.0
71.04976	3.1
71.08606	2.1
79.05477	18.2
80.05833	0.9
81.03407	1.4
81.07045	17.9
83.04967	7.7
83.08585	4.4
85.01427	0.8
85.06519	2.5
90.95551	1.0
91.05462	19.0
91.06042	1.1
93.07029	15.7
95.04951	9.5
95.08589	16.8
95.36310	1.0
97.06487	1.6
97.10131	2.3
98.22683	1.9
98.97577	6.6
103.05482	1.3
104.99252	2.1
105.04503	1.7
105.07013	31.2
107.04951	1.5
107.08562	8.1
109.06492	3.2
109.10139	6.2
111.08094	2.0
115.05432	1.7
116.98622	5.9
117.06989	6.1
119.04939	3.6
119.08554	30.6
121.06511	4.8
121.10113	9.9
123.08074	4.0
123.11665	1.4
128.06227	4.0
129.06990	5.9
130.07755	1.6
131.08540	13.0
133.06499	1.3
133.10106	15.7
133.11034	1.6
134.99672	3.1
135.07993	4.7
135.11688	2.3
137.09654	1.0
141.06969	2.7
142.07768	4.4
143.08543	16.9
144.09302	1.4
145.06487	2.2
145.10101	8.9
147.08067	6.7
147.11601	7.7
149.09567	5.7
153.07031	1.0
155.08533	4.2
156.09315	7.3
157.10115	10.0
159.08012	12.1
159.11671	6.1
161.09595	15.2
161.13193	4.5
165.07028	1.1
166.07764	1.6
167.08534	2.2
168.09297	2.1
169.10109	10.0
171.08063	1.4
171.11638	14.7
173.09541	1.2
173.13269	2.9
175.11147	1.3
176.11957	1.2
179.08528	2.3
180.09341	1.4
181.10110	3.4
182.10825	4.5
183.11641	8.3
184.12396	1.9
185.09610	1.8
185.13255	1.8
187.11118	2.5
189.12717	10.4
190.19572	1.1
192.09354	2.6
193.10095	7.5
194.10907	2.2
195.07996	1.2
195.11636	5.8
196.08861	1.0
196.12541	1.8
197.09589	3.0
197.13223	10.7
199.11215	5.1
199.14799	3.7
201.12689	1.3
205.10149	1.8
206.10880	5.5
207.11691	10.7
207.13544	2.1
208.12451	4.7
209.13306	3.8
210.10443	1.1
211.11150	3.6
211.14876	4.3
213.12712	3.3
219.11684	2.8
220.12520	2.2
221.13203	8.3
222.13737	1.4
223.11136	1.1
223.14755	12.8
224.15411	1.1
225.12714	8.5
225.16241	1.8
233.13239	6.7
234.14035	2.2
235.14775	1.8
237.16380	4.1
238.13612	1.1
239.14217	4.7
239.17902	2.4
248.15622	6.0
251.14244	2.0
253.19530	4.0
258.99655	3.5
263.17911	16.4
264.18265	1.4
266.16852	1.0
277.00797	4.9
281.18991	100.0
282.19275	4.4
282.24136	1.2
299.06207	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2474
Annotation	10Z,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03928	3.3
55.01863	1.6
55.05509	57.2
57.03431	3.3
57.07072	30.9
65.03947	2.7
65.54877	1.7
67.05154	3.0
67.05502	49.4
69.03420	2.8
69.07064	100.0
69.50765	7.2
70.07416	2.3
71.04988	4.1
71.08627	13.1
73.06610	1.5
77.03948	1.7
77.84112	1.8
79.05486	14.4
79.20502	1.5
81.07053	76.6
82.07424	1.5
83.04976	7.3
83.08617	71.4
84.06863	2.2
85.06533	3.6
85.10181	6.1
91.05472	24.2
93.07037	30.3
94.07351	2.3
95.08599	62.9
96.08958	2.9
97.06519	8.3
97.07642	1.9
97.10172	56.5
98.97581	4.5
99.08108	4.2
104.99303	3.1
105.07040	24.9
105.14165	1.8
107.08591	27.9
109.06516	3.8
109.10152	37.1
110.10500	2.0
111.08057	6.2
111.11720	30.2
116.98612	5.7
119.08569	21.4
121.10135	19.1
123.08083	5.4
123.11695	16.7
123.38868	1.5
125.09653	4.2
125.13248	8.0
125.72878	1.6
129.09090	2.0
131.08539	2.1
133.10123	22.4
134.99654	3.8
135.11697	15.4
137.05948	2.9
137.09607	6.7
137.13254	6.2
139.11148	5.0
139.14780	2.8
141.12666	1.6
147.11694	18.4
149.13260	13.2
151.11179	9.7
151.14832	4.0
152.37799	1.5
153.12691	3.0
155.10669	2.9
161.13255	18.7
163.14830	10.5
165.12776	8.2
165.16364	3.1
167.14333	4.0
175.14790	11.3
179.14299	6.0
179.17932	4.1
181.15938	1.8
189.16399	10.5
191.17964	1.8
193.15906	7.0
203.17952	2.0
207.17455	5.2
217.19649	1.7
219.21059	4.0
221.22627	11.5
223.26077	1.6
245.22646	41.0
258.99921	4.8
263.23688	24.6
277.00854	5.9
281.13943	2.1
281.21152	4.8
281.29495	34.3
295.96442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74486	0.5
56.96561	9.9
69.78779	1.3
71.95241	0.8
89.94453	0.4
95.44496	0.4
98.22786	0.4
98.97570	100.0
99.97897	0.5
105.97827	0.4
116.98608	47.3
118.28323	0.4
125.01399	0.4
127.33208	0.4
134.99641	13.8
153.00705	0.9
219.01910	0.5
234.99899	1.1
240.98697	2.6
258.99734	37.2
259.99976	1.1
277.00784	54.2
278.00998	2.6
282.99890	1.3
295.01956	0.8
300.02374	0.5
301.00919	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96283	0.7
56.96554	12.0
69.77373	1.1
69.77730	1.0
71.95261	1.0
78.95306	0.5
84.08103	0.6
85.02870	0.6
98.23387	0.6
98.97565	100.0
116.98601	64.4
116.99239	1.1
117.98953	0.5
127.53271	0.5
132.24849	0.5
134.99637	24.8
136.06232	0.4
143.00107	0.4
150.07730	7.7
153.00626	2.4
158.01265	0.7
177.00928	0.6
178.01044	1.1
193.03200	0.6
219.01991	1.4
220.02086	2.3
221.01604	0.5
234.99704	1.1
240.98621	3.1
258.99707	45.2
259.99881	1.5
264.06750	0.5
277.00760	72.6
278.00928	2.3
282.21881	0.7
283.00003	0.7
295.01788	0.8
300.01828	0.6
300.04703	1.4
300.97458	0.8
301.00879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28904	0.6
56.96553	11.8
57.03403	0.7
61.02919	0.6
68.90121	0.5
69.03409	1.2
70.83361	0.8
72.08119	0.5
74.00791	0.5
74.36359	0.6
78.95245	0.6
80.02293	0.5
84.04519	0.6
84.08084	0.5
85.02894	5.5
85.06554	0.6
97.02829	1.2
98.97565	100.0
107.49628	0.5
110.97526	0.6
112.07590	0.9
116.98604	60.6
117.98895	0.7
127.03906	1.1
134.99632	22.7
138.44551	0.5
140.00179	1.2
140.15891	0.5
145.04918	2.9
150.07739	6.7
153.00685	2.5
156.03291	0.6
158.99648	0.8
163.06052	0.7
163.66354	0.5
174.04388	0.8
176.07680	0.6
177.00812	0.8
180.28992	0.5
186.04413	1.3
204.05417	1.5
219.01944	0.9
220.02145	1.6
225.10887	0.6
234.99796	1.1
238.08597	0.6
240.98615	3.7
251.12500	1.1
258.99725	41.8
259.99805	1.2
264.12354	1.3
277.00769	60.8
278.00861	2.4
282.01276	0.6
282.13376	2.9
282.21829	1.0
295.01865	0.8
300.02106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0736
Annotation	Flufenamic acid
Peak:m/z	Relative Intensity
54.21484	1.4
56.96556	4.9
65.04217	1.3
66.84846	1.4
67.05502	1.9
68.53998	1.2
70.39223	1.8
79.05501	1.4
95.08595	2.1
98.97571	22.0
116.98603	20.1
121.13546	1.2
126.78109	1.4
134.99622	10.4
168.04207	1.2
169.94585	1.3
258.99734	14.0
277.00809	22.2
282.07327	100.0
282.21970	2.2
283.07584	3.3
300.02271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	19.1
56.96551	4.7
60.58969	2.9
63.65952	2.2
65.03936	6.7
69.07061	3.1
70.06597	3.0
71.04995	15.1
79.05489	6.2
81.07036	2.5
84.08143	2.6
86.09690	4.8
91.05463	27.4
93.03397	10.0
93.07018	3.7
95.04971	3.1
97.02858	2.8
98.35705	2.3
98.97569	29.9
103.05456	6.2
105.07018	7.4
106.06541	9.2
113.09624	8.3
115.05464	6.7
116.98614	18.5
117.07002	35.0
119.04171	4.2
119.04946	58.9
119.08575	5.6
121.02867	35.3
128.06252	2.9
129.06995	10.6
131.04906	9.6
131.08562	6.1
132.04437	6.0
133.04822	4.4
134.05977	12.0
134.99655	12.7
135.04420	6.4
138.05443	2.4
143.08549	6.0
145.06477	38.4
145.10115	8.4
147.04408	12.2
147.08041	4.7
147.11639	4.0
149.02336	30.5
149.05971	3.6
150.07701	8.2
151.03819	3.8
152.07028	6.6
155.06036	5.2
157.06512	3.7
159.04411	6.5
159.11662	6.6
161.05978	3.2
169.07335	6.2
169.10074	4.5
173.05946	67.2
176.10725	3.7
177.05392	6.6
181.06470	3.6
185.05989	3.0
187.03821	4.6
187.11130	7.8
188.10651	14.0
191.07048	11.5
201.05469	47.4
204.13937	2.8
208.07631	3.4
219.06497	55.2
229.04953	14.2
229.06877	3.0
232.13312	11.0
236.07021	12.8
237.05412	2.8
237.07510	6.9
247.06009	50.0
250.14334	30.0
254.08060	10.7
258.10419	2.3
258.99789	13.9
264.15955	9.3
265.07065	56.0
266.07480	4.2
277.00870	19.1
279.06979	3.2
282.07693	7.4
282.17154	100.0
282.21829	4.6
283.17474	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1195
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
55.01849	1.0
55.08262	0.3
56.96545	1.1
57.03434	1.6
57.04542	0.4
69.03425	0.7
71.01331	0.5
71.04984	0.3
73.02901	0.8
79.05470	0.3
85.02891	1.1
88.03996	0.3
94.04024	1.1
95.04956	0.3
98.97575	4.2
104.10668	0.3
108.04369	0.3
113.09669	0.4
115.03917	0.4
116.98618	2.6
120.08091	0.8
121.02846	1.7
121.08417	0.7
123.06635	0.9
133.02841	0.4
133.04982	0.4
134.99638	1.8
136.06151	0.8
137.06567	0.3
145.06476	0.3
150.07733	100.0
151.06152	0.3
151.08049	1.2
152.93889	0.3
166.08539	0.3
173.05980	0.6
194.09726	0.3
198.96700	0.3
201.05418	0.5
214.94673	0.3
236.07074	0.6
247.05821	0.3
258.99713	1.6
264.14178	0.7
265.07071	0.4
277.00815	2.6
282.09454	0.6
282.11960	12.5
282.16983	0.5
282.22049	0.4
283.12668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81285	0.4
54.86399	0.4
55.05502	1.4
56.05028	28.6
63.87663	0.4
67.05502	0.7
69.03432	0.5
69.07054	0.8
70.06581	0.6
70.56873	0.8
71.04982	61.1
72.05326	0.6
72.08144	62.5
73.08495	0.5
78.71815	0.4
79.05482	24.6
81.07043	6.8
81.80401	0.4
83.08628	0.6
91.05473	1.6
93.07042	0.9
95.04952	1.4
95.08595	1.0
98.09677	100.0
98.97548	2.6
99.10018	1.6
101.14107	0.4
103.98325	0.4
107.04943	14.5
109.10152	0.6
113.09626	33.1
114.09925	0.6
116.98602	1.8
120.62370	0.4
121.02844	1.5
123.11671	0.6
135.04393	23.1
136.04745	0.4
136.07564	1.1
148.03955	0.5
152.07095	1.3
153.05415	0.5
206.11734	7.9
224.12692	1.2
227.17677	0.4
232.13287	3.8
250.14305	1.0
258.99704	1.2
264.15875	1.9
277.00720	1.7
282.16940	9.5
283.17322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1697
Annotation	Naramycin B
Peak:m/z	Relative Intensity
55.01860	1.7
55.05505	0.5
57.03431	0.6
61.19015	0.4
65.03934	0.7
65.46959	0.4
67.05490	0.7
69.03432	0.8
69.07061	0.8
69.59295	1.8
70.06568	0.8
71.04979	12.6
71.54611	0.4
77.36099	0.4
78.19877	0.4
79.05499	2.2
81.03405	1.5
81.07051	1.9
85.02880	0.5
86.09689	1.3
87.10040	0.8
91.05460	6.4
93.03397	0.9
93.07042	2.4
95.04965	1.5
95.08630	0.7
97.02856	0.8
98.97578	1.9
103.05435	0.9
105.07022	5.2
106.04194	0.5
106.06548	7.8
107.04960	1.6
107.08562	2.2
107.14104	0.4
109.02892	0.5
110.06053	0.4
113.08834	0.7
113.09628	12.4
113.10385	0.9
115.05457	1.4
116.98605	1.4
117.06998	9.3
119.04910	4.4
119.08544	3.7
120.08073	0.8
121.02837	3.5
121.06474	0.5
121.10163	1.3
122.06021	0.9
123.04434	0.8
123.07966	0.5
128.06197	2.5
129.06979	11.1
130.06573	0.5
130.07759	1.2
131.04892	1.6
131.08548	7.9
132.04427	0.9
132.08031	0.8
133.04730	0.6
133.06488	1.0
133.10153	1.7
134.06003	8.0
134.07027	0.4
134.09764	0.6
134.99638	0.7
135.04396	1.2
136.07578	0.5
137.05905	0.5
141.06952	1.4
143.08528	5.1
144.05679	0.5
144.08102	0.5
144.09329	1.1
145.06461	7.7
145.10094	7.6
146.06012	1.0
147.04385	1.4
147.08040	0.8
147.11670	3.2
148.07494	0.7
148.11159	2.1
149.02313	2.5
149.05945	0.9
150.05489	0.9
150.07813	0.6
151.03954	0.6
151.06258	1.4
152.07027	4.4
153.06990	0.6
154.07770	1.4
155.06003	0.8
156.00645	0.4
157.10117	0.5
158.07152	0.7
159.04297	0.7
159.08076	1.3
159.11673	8.0
160.07651	0.5
160.11183	1.0
161.08427	0.6
161.09552	2.3
161.13297	0.5
162.09058	0.6
167.07043	0.4
169.10109	3.9
170.09598	0.8
171.08037	1.4
171.11694	3.2
173.05956	5.4
174.09116	0.9
175.11172	0.7
176.10680	5.0
177.05458	0.4
177.12738	0.7
186.12845	0.9
187.11166	7.1
187.12718	0.8
188.10660	10.7
189.09094	0.4
189.10966	0.4
189.12668	0.5
190.12138	0.7
191.07115	0.8
197.09656	0.6
201.05484	2.9
201.12706	1.0
204.13826	2.6
205.12230	0.8
212.07054	0.5
214.12199	0.7
215.10681	2.3
219.06433	4.4
220.13351	1.2
224.06976	0.5
229.04868	1.2
232.13293	7.9
236.07108	2.0
236.14534	0.6
237.05345	0.4
237.07480	1.0
238.08691	0.5
247.05946	4.1
250.14346	25.5
251.14766	1.2
254.08191	1.5
258.99811	0.8
264.15924	9.4
265.06995	4.6
277.00812	1.4
282.17001	100.0
283.17444	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	282.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.5
55.05495	1.6
56.05026	26.7
56.96557	0.7
60.95122	0.5
67.05472	1.5
69.07046	1.3
69.95761	1.7
70.06564	0.7
71.04981	56.0
72.08143	57.2
77.03933	0.6
79.05479	25.3
81.07048	6.7
91.05470	2.2
93.07052	1.0
95.04942	1.7
95.08609	0.9
98.09675	100.0
98.97562	4.7
99.10021	1.2
103.05428	1.1
107.04934	14.3
109.10103	0.7
113.09623	29.8
114.09943	0.7
116.98608	3.9
121.02850	1.3
123.11595	0.8
134.09630	1.5
134.99652	1.9
135.04391	23.1
136.07549	0.7
137.97267	0.6
145.10014	0.6
149.09482	0.5
152.07050	1.5
163.11261	0.9
183.06554	0.5
198.07724	0.8
206.11716	5.3
212.09462	1.0
215.17186	0.6
224.12791	1.3
226.07243	0.8
232.13229	3.5
241.09697	3.6
250.14397	0.8
255.11247	1.1
258.99826	2.9
260.48300	0.5
264.15918	1.7
277.00745	3.9
282.17090	8.6
283.10751	3.1
283.15106	19.0
283.20258	0.9
300.02206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90873	1.0
53.03949	1.6
55.01858	1.7
57.03437	2.6
65.03943	4.0
67.05484	1.9
68.99772	2.2
69.03421	3.9
69.56490	1.0
70.06594	1.9
70.09459	1.2
71.41254	1.3
78.04700	1.9
79.05508	2.9
81.03399	7.9
81.07063	1.7
83.04948	1.1
85.02889	8.8
86.09721	1.3
89.06029	2.1
91.05468	2.1
93.03401	2.3
93.07028	2.2
94.06547	1.3
95.04978	6.4
97.02882	5.2
98.97580	1.6
106.04173	5.1
107.04946	3.4
108.05711	1.7
109.02863	11.4
111.00745	1.3
111.04427	11.1
113.02363	2.9
116.98623	1.3
121.02859	51.5
121.03827	1.9
121.06472	2.7
122.06047	3.7
122.09647	1.6
123.04436	4.2
123.06796	2.5
125.02352	5.4
127.03912	18.0
131.04956	2.8
133.05232	2.4
133.91748	1.2
134.03606	9.6
135.04312	1.3
137.05954	2.9
139.03889	17.9
140.04649	12.8
141.05444	8.8
147.04401	2.2
149.05986	2.0
151.03903	2.2
151.06265	23.2
153.05493	2.4
155.03366	26.1
155.07047	4.1
156.04138	2.4
163.30490	1.2
165.05516	2.1
169.04945	10.0
170.05725	100.0
171.06453	6.5
176.04692	1.8
177.05457	4.6
181.04939	2.2
182.05734	2.3
183.06577	2.0
194.02173	2.5
194.09648	1.6
197.04451	3.9
197.08136	4.6
204.04126	2.2
205.04997	2.9
209.04424	10.8
209.08171	1.3
211.07375	1.3
215.03424	1.5
219.06552	1.3
220.07458	1.6
232.03677	1.6
237.07547	16.2
238.08354	1.4
247.06000	2.3
255.08647	2.0
265.06924	2.0
283.10516	3.7
283.12924	4.8
284.08969	1.2
284.18579	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97919	0.4
55.01873	0.7
64.77847	0.5
65.03934	0.8
65.12551	0.5
67.05492	0.5
69.03416	1.9
69.07069	0.5
70.06593	2.1
78.04700	6.5
79.05480	8.9
80.05006	1.4
80.06272	4.0
81.03413	1.8
83.04967	0.5
85.02905	0.8
89.06031	2.6
91.05482	0.7
93.06991	0.6
94.06556	3.0
95.03699	0.4
95.04960	1.6
95.07355	1.7
96.04480	1.8
96.05753	0.8
97.02885	1.0
98.97584	1.0
105.03412	0.9
106.04166	27.3
106.06550	2.2
107.04977	3.9
108.05727	6.7
109.02833	1.0
110.09658	0.8
111.04414	1.2
116.98563	0.7
120.08070	0.8
121.02856	27.4
121.03794	1.2
121.06435	0.5
122.05115	0.7
122.06013	14.2
122.09647	7.4
123.06801	14.3
123.10445	1.2
124.05220	1.2
125.02294	0.7
127.03915	1.9
132.04518	0.7
133.05225	11.2
133.08597	0.6
134.03627	39.3
134.05957	4.5
135.04013	0.4
136.03978	0.5
139.03876	1.4
140.04677	0.6
140.10681	4.6
149.06010	0.4
150.05496	1.6
151.06271	100.0
152.04716	0.7
152.06589	1.7
155.03362	1.5
165.06943	1.3
170.05727	6.6
171.05493	0.5
172.45245	0.6
183.07938	0.5
192.07976	0.9
201.13812	0.5
209.04507	0.7
210.09128	0.6
220.07529	5.7
221.05960	0.6
222.09103	1.1
237.07512	1.3
238.08580	4.8
244.23602	0.5
248.07010	1.7
258.99515	0.5
265.09494	0.7
265.15329	0.6
266.08020	3.5
273.11133	0.5
278.00900	0.6
283.10675	20.6
283.16379	1.6
284.18524	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	283.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
55.01892	0.2
55.05504	0.2
58.66484	0.1
65.03938	0.7
67.05492	2.5
69.03403	0.2
69.07047	0.8
69.19236	0.4
69.19645	0.6
79.05469	0.9
81.07053	1.5
83.08596	0.2
89.06009	0.2
91.05466	11.6
92.05775	0.2
93.07031	1.2
95.04950	0.4
95.08592	3.2
97.02853	0.2
98.97561	0.6
103.05435	0.5
105.07011	0.6
107.08592	1.5
109.06510	0.2
109.10138	12.0
115.05460	0.2
116.98626	0.5
117.07001	0.2
119.04922	5.2
120.66405	0.2
121.02853	0.5
121.06497	0.2
121.10116	2.2
123.11710	0.3
131.04944	0.2
131.08521	0.2
133.06458	0.3
134.99611	0.2
143.93904	0.2
145.06493	0.3
145.10120	0.2
147.04382	21.3
148.04738	0.4
149.05980	0.2
151.11122	0.2
152.06168	0.4
159.04446	0.2
163.03888	0.7
165.06969	0.3
166.07742	0.2
167.08574	0.3
175.03873	100.0
176.04230	2.5
177.05455	0.9
178.07742	0.3
179.08514	0.3
187.03879	0.2
189.05415	3.3
190.02620	0.3
194.07158	0.2
195.08011	4.8
196.08470	0.3
197.05905	0.3
199.03879	0.3
201.05339	0.3
203.06973	1.1
205.04875	1.3
211.07555	0.3
212.08281	0.2
213.05397	0.6
215.06862	0.4
216.06398	0.3
222.06772	0.2
223.07533	1.5
227.07001	0.9
227.10550	0.2
240.07779	0.9
241.08484	1.4
251.06949	0.6
255.10098	0.3
259.99921	0.2
265.18179	0.2
267.06473	0.3
268.07193	0.7
277.96155	0.2
278.00934	0.2
283.09579	7.6
283.13181	16.2
284.08997	0.4
284.13501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.96550	0.2
57.01416	0.1
59.67176	0.1
62.17771	0.2
65.03939	0.7
67.05492	1.9
69.60601	0.3
69.60996	0.6
76.65665	0.1
79.05470	0.7
81.07051	1.0
91.05466	10.3
93.07050	1.0
95.08602	3.1
98.23422	0.3
98.97587	0.6
103.05457	0.5
105.06997	0.4
107.08568	1.5
109.10137	11.2
112.03967	0.2
115.05416	0.2
116.98604	0.4
117.06969	0.3
119.04924	5.0
121.02866	0.4
121.10142	1.8
134.99550	0.2
147.04382	20.9
148.04701	0.4
160.97273	0.1
163.03926	0.5
171.04361	0.2
175.03874	100.0
176.04225	2.3
177.05420	0.7
189.05450	3.3
195.08009	0.6
199.03859	0.4
201.05420	0.3
203.07004	0.8
205.04912	0.7
205.65518	0.2
213.05447	0.3
216.06519	0.3
227.06908	0.7
241.08612	1.0
255.05377	0.2
278.00989	0.3
279.00418	0.2
283.09885	0.8
283.13223	15.9
284.13486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.153
Annotation	1alpha-Hydroxyalliacolide
Peak:m/z	Relative Intensity
55.01875	8.5
55.05508	17.6
56.96550	2.1
57.03443	14.9
57.07072	2.6
65.03943	2.3
67.05499	21.0
69.03436	3.3
69.07061	13.0
71.04987	3.8
79.05485	31.5
81.03402	5.2
81.07052	24.4
82.27995	1.5
83.04962	6.1
83.08614	8.8
85.02898	1.7
90.70930	1.2
91.05472	10.3
93.07036	42.5
95.04955	9.3
95.08591	40.3
97.02890	4.3
97.06505	7.1
97.07063	1.5
97.10172	3.2
98.97566	4.4
99.04419	3.6
102.50607	1.2
103.05524	1.2
105.07027	9.9
107.04957	12.7
107.08586	28.2
109.06517	2.7
109.10139	6.0
111.04404	2.5
111.08068	2.8
113.06030	1.7
116.98604	2.4
117.07015	10.8
119.08578	9.7
121.02858	57.9
121.03783	3.0
121.06485	8.5
121.10124	15.0
122.03190	1.6
125.05927	2.3
127.03961	1.4
130.07799	2.7
131.04903	2.2
131.08513	2.2
133.10101	4.6
134.99664	2.2
135.08046	2.5
135.11685	47.3
136.11987	2.1
139.03886	1.9
139.07552	2.0
145.10097	29.9
149.13347	1.4
153.12700	3.7
155.08531	2.0
163.11172	68.0
176.19234	1.4
177.22723	1.4
181.12183	16.0
187.33340	1.3
195.08003	2.1
197.05960	1.4
223.07449	2.2
227.12750	91.0
228.13190	2.2
233.11391	3.1
240.07785	1.8
251.07002	3.2
255.10242	1.4
259.99863	1.6
265.14136	2.4
268.07166	2.2
278.00934	2.9
283.09641	10.5
283.15167	100.0
284.15533	3.2
284.21945	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01869	5.2
55.05500	11.4
57.03442	7.3
57.07065	2.0
65.03915	1.5
66.89343	0.7
67.05495	33.7
69.03419	92.3
69.07056	8.5
69.12284	3.6
69.12695	1.4
71.04974	3.2
73.02898	2.8
77.03889	0.8
79.05480	28.9
80.05824	0.8
81.03407	2.1
81.07047	33.2
83.04975	5.9
83.08608	7.1
85.02871	1.3
85.06519	3.6
91.05466	17.4
93.07034	31.4
95.04957	6.9
95.08592	37.5
97.02878	100.0
97.06488	4.6
97.10143	1.4
98.03227	1.8
98.22700	1.6
98.97579	1.0
99.04427	2.2
99.08060	1.0
103.05415	1.5
104.05781	0.9
105.07011	17.5
106.05009	1.0
107.04956	6.1
107.08578	28.0
109.06493	3.1
109.10137	15.5
111.04446	1.2
111.08086	1.6
113.05946	1.4
115.03915	95.5
116.04251	0.8
116.98612	1.4
117.06998	6.4
119.08568	8.7
121.02853	4.6
121.06489	3.3
121.09368	1.0
121.10138	10.0
123.11700	3.9
125.05948	1.8
130.07802	1.4
131.08531	2.4
133.04819	0.8
133.10110	12.8
135.08083	1.5
135.11676	29.0
139.07570	1.3
143.08476	0.9
145.10110	17.6
149.13275	1.1
151.11166	8.1
155.08574	1.0
163.11160	42.0
164.11449	1.1
167.06982	0.9
167.08389	0.8
170.92430	0.9
172.10695	0.9
181.12198	9.0
187.05960	0.9
227.12741	57.2
228.13094	2.6
228.85562	0.9
265.25244	0.8
278.00970	0.8
283.09793	3.3
283.15344	19.2
284.21991	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	283.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
53.78366	2.8
55.01871	18.3
55.05502	20.2
56.96547	2.9
57.03432	3.7
57.32532	2.7
65.03922	4.2
66.96465	2.5
67.05498	38.0
69.03417	12.6
69.07060	53.5
71.04981	9.7
73.06533	3.7
79.05484	64.3
81.03406	7.9
81.07039	52.0
83.04978	16.6
83.08614	11.5
85.06536	2.6
91.05464	42.0
93.07032	43.4
95.04958	9.2
95.08589	38.3
97.05989	3.1
97.06511	21.8
97.10188	6.1
98.97580	9.6
99.04418	2.7
105.06994	23.3
107.04954	7.7
107.08578	100.0
109.06519	5.0
109.10148	16.4
111.04419	4.6
111.08056	4.4
113.05988	3.1
116.98610	8.3
117.07005	13.1
119.08551	22.3
121.02822	4.6
121.06509	3.1
121.10117	36.0
123.08065	3.6
123.11682	6.0
125.06007	2.9
125.09617	43.2
129.07005	4.0
131.08546	53.8
133.10103	20.0
134.99640	9.6
135.08032	6.3
135.11676	11.8
137.09579	5.0
139.11166	8.3
143.06987	14.9
143.08615	6.2
145.10121	19.4
147.11697	5.3
149.09604	20.0
149.13286	4.0
151.11171	3.3
153.09036	16.6
155.86833	2.9
159.11633	7.7
161.08084	5.6
161.13255	5.0
163.11116	9.5
167.10655	7.8
169.10114	4.3
171.11810	3.1
173.09515	4.5
173.13261	8.0
177.09055	4.4
177.16269	3.5
185.13094	3.7
191.10658	3.6
191.17986	3.9
195.10187	6.8
201.16382	30.0
207.87094	2.9
209.09438	2.6
209.11720	3.3
219.17432	12.5
229.15671	3.7
240.07886	2.8
247.16937	9.6
259.99860	3.9
265.17899	8.7
278.00900	6.0
283.09726	11.2
283.15161	3.1
283.20465	12.5
284.08963	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	284.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34060	1.3
55.05500	7.9
56.38028	1.2
56.73709	1.2
57.03409	2.4
57.07048	5.8
65.97961	1.2
67.05492	13.5
69.03418	1.7
69.07054	12.7
71.04960	1.8
71.08590	1.7
74.06061	1.7
79.05481	10.0
81.03406	6.9
81.07040	22.5
82.07363	4.1
83.08591	5.9
85.06512	3.7
91.05468	5.1
93.07045	9.4
95.04916	3.5
95.08592	21.2
96.08912	2.5
97.06522	2.6
97.10139	2.3
98.97505	2.0
99.08047	2.1
105.07030	3.3
107.08582	6.4
109.10141	11.5
110.10486	2.2
111.08038	2.3
116.98562	1.7
119.08540	4.0
121.10137	3.7
123.04427	2.6
123.11645	4.0
126.28909	1.3
133.05307	1.5
135.11609	2.7
136.11989	1.5
137.13173	1.7
147.11607	1.4
149.13286	1.5
157.10040	2.1
193.12241	4.3
210.06691	1.5
221.05905	2.2
224.06773	11.8
225.09042	1.8
225.14764	3.5
243.11267	2.9
252.06276	100.0
253.06418	1.9
253.08710	2.3
265.25330	1.7
266.24750	4.3
284.08862	69.4
284.22525	1.9
284.25787	28.2
284.29303	4.2
285.11710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13181	0.9
67.05028	0.8
67.05487	1.9
69.03414	1.2
69.07048	2.7
69.25043	4.1
70.06569	1.1
79.05473	2.0
80.05815	1.5
81.03355	0.9
81.07042	2.6
83.04939	1.3
83.08611	1.2
85.06542	1.0
91.05475	1.4
93.07034	2.4
95.08583	1.5
97.02883	1.3
98.22707	2.0
98.97580	2.0
105.07001	1.6
107.08587	1.8
108.08923	1.7
109.10115	1.5
113.06655	0.8
119.08554	1.2
134.99619	1.0
135.11743	0.9
140.93974	1.0
165.07042	1.0
185.71523	1.0
221.05902	2.4
225.09105	1.6
253.08510	2.5
260.99567	1.5
261.02887	1.2
279.00620	2.4
279.55740	0.9
284.08887	100.0
284.22470	1.2
284.29413	2.4
285.09012	3.0
285.11606	1.7
285.22021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87486	1.9
53.03933	7.8
55.01856	8.8
57.03423	5.4
57.16754	1.8
59.08516	1.9
60.04538	2.0
61.02906	4.9
67.45152	2.0
68.03295	2.1
68.11462	2.1
69.03423	38.9
69.21730	10.0
71.04987	7.6
73.02901	9.4
77.17681	1.9
81.03409	34.4
85.02892	100.0
85.03410	5.1
87.00815	39.5
87.04492	2.3
91.03941	2.3
97.02872	59.3
97.03485	3.6
98.97598	6.9
99.04454	16.6
100.11259	2.1
105.01857	51.7
108.04479	9.7
109.02862	28.1
116.98618	5.6
117.01876	4.9
126.05485	5.4
127.03889	90.4
129.01814	3.1
134.83087	1.9
144.06320	8.1
145.04938	63.1
147.02853	3.9
147.54430	1.9
159.02869	28.3
164.90099	2.2
177.04059	2.1
178.40852	2.0
200.95721	2.0
213.03836	4.5
230.06546	2.9
231.04924	22.4
231.06770	2.5
239.18411	2.7
249.05951	5.8
252.46867	2.0
253.08542	2.8
260.99701	2.8
279.00369	3.7
284.09720	3.7
284.29474	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	284.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77141	5.7
53.03943	11.2
55.01858	10.3
55.05514	6.6
56.69467	4.6
59.31189	4.5
61.02920	9.5
69.03426	46.3
71.04980	7.1
72.96201	4.9
73.02906	11.0
74.30040	5.3
81.03407	35.5
85.02900	90.0
87.00817	40.4
97.02888	71.0
98.97571	27.3
99.04433	22.7
102.15064	5.5
105.01854	59.4
108.04485	13.1
109.02886	33.2
116.98573	17.0
127.03904	100.0
134.99611	9.9
145.04918	82.8
159.02879	24.8
165.06949	5.6
192.04996	5.0
206.67818	6.1
223.70438	5.2
225.09053	10.5
231.05019	33.0
249.06039	7.9
253.08521	19.4
279.00620	11.8
282.94382	5.3
284.10037	6.9
284.29398	18.5
285.11276	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	284.0988
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.44689	0.3
53.88220	0.3
55.01861	0.3
56.96565	1.7
57.03427	0.5
58.51516	0.3
62.27871	0.3
69.31554	1.0
69.31960	0.8
71.78897	0.3
81.03438	0.3
85.02926	0.4
89.89078	0.3
90.97417	0.3
98.97572	5.0
99.97895	0.4
101.00855	0.6
108.24075	0.3
109.05096	0.7
110.03513	2.8
116.98599	2.4
119.01926	1.4
127.00606	0.4
128.04535	0.8
133.04895	0.3
134.99666	1.0
135.03004	5.7
152.05656	100.0
153.04060	7.1
153.05977	1.0
158.99876	0.4
173.01263	0.6
173.65260	0.4
175.04466	0.5
177.00954	3.4
178.00987	0.4
180.00819	0.3
189.00732	0.4
201.00905	0.5
217.04044	0.9
219.01994	4.8
220.02068	0.8
221.01772	0.5
222.01797	0.4
225.00896	0.5
243.01855	2.3
260.99741	1.8
261.03021	24.1
262.03168	1.7
279.00531	2.6
284.04797	0.4
302.04605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1853
Annotation	Amabiline
Peak:m/z	Relative Intensity
53.03933	1.3
67.05489	0.8
67.49207	0.3
70.06578	17.2
70.57551	0.5
73.06538	0.7
78.50562	0.3
79.05466	0.7
80.04998	5.8
81.05765	0.6
81.07016	0.7
82.06563	0.7
85.85423	0.3
91.05449	0.6
91.67764	0.3
93.07038	0.7
94.06544	10.6
95.07330	0.6
95.08598	0.5
105.06999	1.3
107.07310	1.8
109.08878	0.8
110.09660	11.0
120.08091	2.5
122.03135	0.4
122.09641	92.9
123.10453	13.2
124.11209	0.5
140.10674	58.1
141.10999	1.1
194.15331	1.4
220.56155	0.3
240.15965	0.6
253.86624	0.3
284.18503	100.0
285.18808	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05502	5.0
56.05024	2.9
57.03417	1.6
57.07066	0.7
65.03929	0.4
67.05494	14.4
68.05001	0.4
69.03412	0.4
69.07051	2.9
70.06564	1.0
74.06072	5.2
79.05479	7.2
79.05933	0.4
81.02952	0.6
81.03403	7.7
81.07045	13.1
82.06550	0.4
83.04962	1.3
83.08612	3.4
85.02890	1.6
85.06557	0.9
87.00798	0.4
91.05466	4.5
93.07030	7.2
95.04971	2.9
95.08588	7.3
96.08923	0.5
97.06528	0.6
97.10170	0.8
98.97552	0.5
105.07013	3.0
107.04938	1.1
107.08583	3.9
109.02885	0.3
109.10145	2.9
110.09720	0.4
110.10450	0.5
111.08051	1.5
114.09149	1.7
116.98622	0.6
119.08583	1.9
121.06551	0.4
121.10119	3.2
123.04417	0.6
123.11701	0.8
129.06982	0.6
131.08560	1.1
133.10118	1.5
135.11659	1.2
145.10127	0.6
147.08005	0.4
147.11684	1.4
149.09625	0.5
149.13324	0.4
157.10115	0.6
159.11775	0.4
161.13159	0.4
163.14888	0.3
165.08963	0.5
165.12741	0.4
175.11162	1.2
178.04939	0.5
193.06482	0.6
193.12219	4.8
198.09056	0.6
210.06349	0.5
210.18459	0.8
211.13199	1.3
218.29274	0.4
220.20488	0.4
221.05908	0.5
224.06801	0.6
225.09062	0.9
225.14754	0.5
233.28166	0.3
243.11263	1.2
248.23770	0.7
252.06316	4.8
253.08545	1.3
266.24759	12.6
267.15930	0.7
284.08810	3.3
284.25797	100.0
285.11539	1.4
285.16922	1.4
285.22064	1.1
285.26126	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	284.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.4
55.01842	0.4
55.05452	3.8
56.04991	0.5
57.07011	0.5
58.06535	4.4
58.58187	0.3
65.03869	0.5
67.05496	9.2
67.05814	0.6
69.07057	2.5
69.45097	1.1
70.06530	0.6
71.04919	0.6
72.08079	1.0
74.31429	0.3
75.71599	0.3
79.05485	8.3
81.03337	1.1
81.07050	9.3
82.06528	0.7
83.04939	0.5
83.08545	1.3
84.08075	1.5
85.02854	0.4
85.06487	0.6
86.09654	0.3
91.05466	5.4
92.05755	0.4
93.07037	8.8
95.04890	1.4
95.08598	11.1
96.08078	0.7
97.02804	0.4
97.06478	0.3
98.09679	2.6
98.22757	0.6
98.97514	0.4
105.07008	3.5
107.08574	3.6
108.08013	0.6
109.06451	0.4
109.10165	2.5
111.04372	0.4
111.10383	0.4
112.11192	0.7
114.78429	0.3
119.08569	3.6
121.10136	3.0
122.03161	0.5
122.09685	0.4
123.11642	0.6
124.11212	3.4
131.20592	0.3
133.10129	2.2
135.08107	0.4
135.11636	1.5
135.69449	0.3
137.09589	0.4
138.12775	0.7
145.10007	0.5
147.11627	1.5
149.13167	0.9
151.13487	0.4
151.16031	0.3
152.14294	0.4
154.20821	0.3
161.05927	0.6
161.13181	0.9
165.06943	0.7
175.14763	0.7
178.15840	0.4
189.16415	0.4
192.17358	0.4
193.06297	0.4
193.12218	0.5
206.19002	2.1
210.06662	0.5
211.07516	0.4
218.96756	0.3
221.05812	0.4
225.08983	0.8
243.11176	0.4
248.23712	12.2
249.24120	0.6
253.08614	1.6
266.24759	100.0
267.25122	3.1
284.25818	15.4
284.28983	0.6
285.11166	0.5
285.13120	0.3
285.17017	0.4
285.26120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.2
56.96559	100.0
67.05496	10.7
69.47198	4.7
71.08681	5.5
72.83088	5.1
74.97617	6.0
76.40779	5.1
79.05489	6.6
81.07044	22.2
83.08619	5.5
90.83620	5.3
91.05473	10.7
93.07032	7.3
105.06992	10.9
109.06493	4.7
119.08593	12.5
121.10127	7.9
123.04522	4.9
123.11727	6.7
133.10109	7.5
134.99626	8.5
137.06013	6.0
139.60980	6.0
144.11290	7.2
145.10103	5.6
161.05962	17.0
165.07024	24.4
178.98576	14.4
181.06577	6.6
182.07214	14.2
193.06439	19.2
199.06372	13.1
205.04907	8.8
210.06711	19.1
211.07414	6.3
217.07454	73.7
221.05959	23.2
223.48503	5.4
225.09012	39.2
227.07001	5.7
235.08504	70.3
238.06148	8.2
239.07069	10.9
243.11311	5.1
253.08571	75.5
284.29468	10.3
285.07596	14.4
285.11130	60.8
285.22128	12.7
285.29785	6.1
294.49747	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	285.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
63.00030	3.1
67.05501	1.8
69.03429	3.2
69.07053	2.7
70.06588	2.1
70.46255	2.8
70.46606	1.8
72.08144	6.6
79.05493	2.7
81.03402	2.4
81.07035	1.9
82.84801	1.5
86.09702	4.3
89.03908	12.5
91.05473	2.3
95.04980	3.2
98.98460	4.0
102.05419	2.0
107.04915	3.8
109.02868	2.1
109.06518	2.1
110.07190	1.9
110.87753	1.6
117.03380	9.5
119.04954	2.0
121.02852	1.7
123.04403	5.0
124.53396	1.5
135.04399	24.0
136.07564	2.5
137.05919	2.6
145.02843	13.7
152.07013	2.6
163.03891	100.0
165.05560	2.1
169.05005	2.1
179.03320	2.1
185.04187	5.0
189.13855	9.9
193.06580	2.1
204.08102	2.2
207.14923	4.5
222.96783	1.8
225.09111	2.6
235.14331	3.8
253.08508	2.9
253.15457	7.0
264.99609	1.9
267.16977	3.3
285.09253	6.5
285.12433	8.5
285.18097	30.4
285.21384	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	285.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
63.00030	3.1
67.05501	1.8
69.03429	3.2
69.07053	2.7
70.06588	2.1
70.46255	2.8
70.46606	1.8
72.08144	6.6
79.05493	2.7
81.03402	2.4
81.07035	1.9
82.84801	1.5
86.09702	4.3
89.03908	12.5
91.05473	2.3
95.04980	3.2
98.98460	4.0
102.05419	2.0
107.04915	3.8
109.02868	2.1
109.06518	2.1
110.07190	1.9
110.87753	1.6
117.03380	9.5
119.04954	2.0
121.02852	1.7
123.04403	5.0
124.53396	1.5
135.04399	24.0
136.07564	2.5
137.05919	2.6
145.02843	13.7
152.07013	2.6
163.03891	100.0
165.05560	2.1
169.05005	2.1
179.03320	2.1
185.04187	5.0
189.13855	9.9
193.06580	2.1
204.08102	2.2
207.14923	4.5
222.96783	1.8
225.09111	2.6
235.14331	3.8
253.08508	2.9
253.15457	7.0
264.99609	1.9
267.16977	3.3
285.09253	6.5
285.12433	8.5
285.18097	30.4
285.21384	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	285.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
67.01846	0.2
67.05510	0.3
68.99780	0.7
69.03414	0.2
69.50877	0.2
69.51270	0.3
72.76277	0.1
77.03928	0.3
78.04705	0.3
79.05492	0.3
80.32316	0.1
81.03416	0.2
81.07058	1.1
83.01335	1.4
91.05464	2.0
93.07027	1.9
95.04970	0.8
98.23439	0.3
103.05427	0.9
105.04459	0.2
105.07015	0.4
106.04157	0.5
107.04950	0.2
109.06496	0.4
119.04951	0.4
121.02831	0.4
121.06493	6.3
131.04912	2.3
133.06497	0.2
134.03615	1.7
135.04309	0.1
147.04405	0.4
149.02237	0.3
149.05956	3.2
159.04341	0.4
162.03094	14.1
164.33229	0.1
171.67294	0.1
177.05440	2.9
178.05913	0.2
190.02583	21.8
191.02997	0.6
193.04881	0.3
201.05473	0.1
202.47847	0.1
205.04933	100.0
206.05307	2.2
219.06483	1.3
229.04878	0.8
240.23270	0.2
243.06467	0.3
246.07506	0.4
285.11145	7.8
286.11581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
55.01862	0.2
58.90695	0.1
65.03921	0.2
67.01854	0.2
67.05469	0.1
68.99776	0.6
69.03411	0.2
69.60275	0.3
77.03905	0.2
78.04710	0.2
79.01824	0.1
79.05450	0.2
81.03410	0.1
81.07045	0.4
83.01328	1.7
89.03898	0.1
91.04937	0.1
91.05470	2.2
93.07026	1.8
94.07324	0.1
95.04950	0.8
95.08559	0.1
103.05441	0.8
105.04485	0.1
105.07016	0.4
106.04134	0.5
107.04967	0.2
109.06479	0.4
117.89661	0.1
119.04912	0.5
121.02836	0.4
121.06492	7.2
129.07104	0.1
131.04919	2.0
133.02896	0.2
133.06506	0.2
134.03615	2.0
135.04355	0.1
147.04340	0.6
149.02312	0.4
149.05951	3.1
149.84023	0.1
159.04393	0.4
159.07573	0.1
161.02327	0.2
162.03098	15.7
163.03523	0.4
177.05434	2.7
187.07411	0.1
190.02580	21.9
191.02911	0.4
191.07005	0.1
193.04951	0.2
205.04932	100.0
206.05281	2.5
206.07130	0.2
207.06578	0.1
219.06419	0.8
229.04932	0.2
246.07726	0.5
263.46384	0.1
273.20993	0.1
282.82550	0.1
284.29529	0.1
285.11157	6.3
286.11511	0.2
301.15262	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	285.112
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
51.02155	0.2
53.03942	0.2
55.01873	0.2
55.05479	0.2
65.03922	0.2
67.01840	0.2
67.05503	0.2
68.99767	0.8
69.03403	0.5
69.07039	0.3
69.53158	0.7
72.08115	0.2
77.03915	0.2
78.04694	0.2
79.05461	0.4
81.07030	0.5
83.01327	1.4
89.03919	0.3
91.05464	2.6
93.07024	2.7
93.29522	0.2
95.04961	0.9
98.97544	0.2
101.80890	0.2
103.05441	0.7
105.04497	0.3
105.07006	0.4
106.04182	0.4
107.04932	0.4
109.06464	0.3
111.48463	0.2
115.57806	0.2
116.19673	0.2
119.04910	0.4
121.02852	0.5
121.06491	6.5
122.07922	0.2
131.04906	2.5
133.02866	0.2
134.03656	1.4
141.06966	0.3
145.06404	0.2
147.04388	0.8
149.02287	0.5
149.05948	2.7
159.04373	0.7
161.02322	0.2
162.03101	13.1
163.03688	0.5
164.92047	0.4
177.05437	3.0
179.08495	0.3
182.07225	0.3
190.02580	20.2
191.02974	0.5
191.07062	0.3
193.04912	0.8
195.07997	0.3
197.09604	0.3
201.05550	0.2
205.04933	100.0
206.05280	2.2
210.06693	0.2
219.06468	1.6
227.07181	0.3
229.04892	0.8
243.06509	0.5
246.07564	0.6
253.08531	0.3
255.06297	0.3
257.08081	0.3
257.11710	0.3
269.08194	0.2
270.08878	0.3
282.79330	0.2
285.11172	25.8
286.11652	1.1
291.09961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39050	0.2
52.82824	0.2
53.03910	0.2
55.01842	0.2
55.05493	0.2
57.07063	0.7
62.06078	0.6
65.03938	0.2
67.01846	0.2
67.05507	1.1
68.99769	0.7
69.03413	0.4
69.65025	0.4
69.65381	0.4
71.08602	0.6
77.03912	0.2
79.05476	0.4
81.03387	0.3
81.07034	0.7
83.01331	1.8
85.02888	0.3
88.87672	0.2
91.05463	1.9
93.07028	1.5
95.04942	0.7
98.22746	0.2
103.05434	0.8
105.04497	0.3
105.07021	0.4
106.04152	0.7
107.04906	0.2
109.06506	0.2
119.04932	0.7
121.02834	0.5
121.06488	6.7
122.06782	0.2
131.04938	2.0
134.03629	1.5
135.17813	0.2
147.04362	0.4
149.02325	0.5
149.05960	2.9
156.17500	0.3
159.04417	0.4
161.02313	0.3
162.03102	13.1
164.92058	0.3
174.18517	1.0
177.05449	2.7
178.05930	0.2
190.02586	19.6
191.02977	0.4
193.04921	0.3
193.12221	0.2
205.04935	100.0
206.05295	2.7
207.06662	0.3
216.09233	0.2
219.06487	3.3
229.04849	0.3
242.28407	0.2
246.07541	0.4
285.11163	5.9
286.11481	0.3
286.31009	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	285.112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
53.03942	0.1
55.01855	0.2
65.03937	0.2
67.01860	0.1
68.99788	0.5
69.03402	0.3
77.03905	0.2
78.04707	0.2
79.05473	0.4
81.07039	0.3
83.01331	1.2
91.05464	1.9
93.07030	2.0
95.04958	0.6
103.05466	0.7
105.04490	0.3
105.07001	0.5
106.04140	0.5
107.04930	0.3
109.06503	0.3
115.05418	0.1
119.04942	0.6
121.02837	0.2
121.06487	6.3
131.04907	2.1
133.02878	0.2
134.03619	1.3
135.04372	0.1
147.04414	0.6
149.02278	0.4
149.05959	2.7
159.04376	0.5
161.02336	0.2
162.03098	12.5
163.03606	0.4
165.05437	0.1
169.09999	0.1
175.03735	0.1
177.05446	2.3
181.06186	0.1
190.02580	19.2
191.02924	0.5
191.06970	0.1
193.04779	0.5
197.09517	0.2
199.07413	0.1
205.04930	100.0
206.05255	2.8
217.04965	0.1
219.06459	1.2
229.04904	0.5
243.06500	0.3
246.07631	0.4
255.06596	0.1
257.07993	0.2
270.08887	0.1
285.11160	14.1
286.11526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10172	0.2
55.01871	0.4
55.05483	0.3
55.58025	0.2
59.31264	0.2
59.99602	0.2
62.31502	0.2
63.62831	0.2
64.71774	0.2
67.01852	0.2
67.05473	0.4
68.99766	0.7
69.03413	0.4
69.07041	0.5
70.46310	0.2
70.46641	0.3
77.03925	0.4
78.04691	0.4
79.05489	0.6
81.03419	0.3
81.07031	0.7
83.01323	1.9
87.80923	0.2
91.05469	3.2
93.07037	2.8
95.04957	1.3
103.05469	1.2
105.03345	0.2
105.04498	0.5
105.07014	0.7
106.04151	0.5
107.04939	0.5
109.06506	0.4
119.04929	0.6
121.02834	0.3
121.06490	7.4
131.04912	3.3
133.02847	0.4
133.06458	0.4
134.03604	2.5
141.06947	0.3
147.04379	0.5
149.02307	0.5
149.05945	3.1
154.07697	0.3
159.04375	0.8
159.05527	0.2
161.02251	0.4
162.03101	16.2
163.03659	0.4
163.07562	0.3
165.06949	0.3
169.06685	0.2
169.10095	0.3
177.05450	2.6
181.06387	0.4
182.07220	0.5
187.03735	0.2
190.02582	24.0
191.02983	0.7
191.07018	0.4
193.04927	1.4
193.12140	0.3
197.09575	0.4
199.03828	0.3
201.05508	0.2
205.04933	100.0
206.05243	3.1
209.05818	0.2
219.06494	2.4
225.09055	0.5
227.07048	0.6
228.04068	0.3
229.04860	1.0
242.05656	0.2
242.09106	0.2
243.06459	0.9
246.07607	0.3
253.08495	0.8
255.06544	0.5
257.08026	0.4
257.11880	0.3
270.08945	0.6
285.11163	22.0
286.11581	0.8
289.72583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93709	0.1
53.03946	0.1
53.81694	0.1
55.01848	0.2
56.48919	0.1
67.01852	0.1
67.05485	0.1
68.99781	0.8
69.03417	0.3
69.77146	0.3
75.74703	0.1
77.03904	0.2
78.04710	0.2
79.05457	0.3
81.07042	0.3
83.01331	1.4
91.04926	0.2
91.05460	1.8
93.07023	1.7
95.04955	0.7
103.05440	0.9
105.03493	0.1
105.04480	0.2
105.07007	0.4
106.04145	0.5
107.04944	0.2
109.06491	0.4
119.04900	0.6
120.47781	0.1
121.02848	0.3
121.06483	6.3
122.06751	0.1
131.04912	2.0
133.02753	0.2
133.06444	0.3
134.03606	1.4
147.04388	0.6
148.05115	0.1
149.02303	0.4
149.05948	3.3
159.04434	0.6
159.05481	0.1
161.02312	0.4
161.05933	0.1
162.03091	13.5
163.03569	0.3
169.06299	0.1
169.09982	0.1
171.08125	0.1
175.03871	0.1
177.05428	2.8
178.05678	0.1
179.08693	0.1
182.07291	0.1
190.02574	20.6
191.02940	0.5
191.07033	0.2
193.04936	0.5
193.80588	0.1
197.09550	0.2
199.03745	0.1
199.07521	0.1
205.04922	100.0
206.05263	2.4
213.05276	0.1
219.06482	1.4
225.09152	0.2
229.04938	0.3
243.06490	0.2
246.07579	0.4
253.08533	0.2
255.06483	0.3
270.08893	0.2
285.11151	15.7
286.11572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
55.78593	0.1
57.99735	0.1
68.99770	0.6
69.03406	0.3
69.73582	0.1
69.79428	0.3
69.79825	0.3
76.95665	0.1
78.04694	0.2
78.61564	0.1
79.05469	0.3
81.07023	0.3
83.01331	1.4
91.04999	0.2
91.05477	1.8
93.07027	1.8
95.04935	0.6
98.23428	0.3
103.05466	0.8
105.04456	0.2
105.07016	0.3
106.04148	0.6
107.04957	0.2
109.06520	0.3
119.04923	0.6
121.02832	0.4
121.06487	5.9
131.04907	1.9
133.06456	0.3
134.03619	1.3
143.04897	0.2
147.04366	0.6
149.02350	0.3
149.05954	3.1
155.08694	0.2
159.04344	0.2
159.05583	0.2
161.02330	0.3
161.06017	0.2
161.68790	0.1
162.03093	13.7
163.03503	0.3
165.06985	0.2
177.05455	2.4
181.06459	0.1
182.07248	0.3
190.02576	19.7
191.02966	0.6
193.04939	0.3
193.06549	0.2
205.04926	100.0
206.05255	3.2
219.06516	1.0
221.05902	0.2
225.09082	0.4
229.04980	0.2
246.07626	0.3
253.08577	0.4
285.07837	0.2
285.11151	6.3
286.11493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17406	0.3
60.00447	0.3
68.99785	0.5
69.03407	0.5
69.44781	0.3
69.50640	1.4
81.07087	0.3
83.01315	1.2
91.05477	1.8
93.07035	1.6
93.07510	0.3
95.04964	0.6
98.23611	0.3
103.05446	0.8
105.07013	0.8
106.04148	0.6
119.04911	0.6
121.06485	6.5
131.04927	2.0
134.03632	1.9
145.59779	0.3
147.04411	0.9
149.05957	3.0
159.04410	0.6
162.03101	13.1
163.03587	0.3
177.05426	2.9
190.02580	22.7
191.02834	0.5
205.04932	100.0
206.05272	2.8
219.06587	0.5
243.06670	0.3
252.18031	0.3
285.11151	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	285.1119
Annotation	Mollugin
Peak:m/z	Relative Intensity
50.10883	0.7
50.82489	0.6
55.01947	1.2
55.05601	1.5
57.03517	1.3
57.57796	0.7
63.82348	0.6
66.29266	0.6
67.05624	2.9
69.03220	0.8
69.03548	2.1
69.06831	1.1
69.07175	1.7
71.05084	1.5
73.03005	1.3
79.05616	3.5
81.03539	2.5
81.07180	4.9
83.05066	0.9
83.08720	0.8
85.03006	1.2
91.05022	1.3
91.05624	3.8
93.07179	4.3
95.05105	2.4
95.08743	3.1
97.06596	0.8
99.04545	0.8
103.05566	0.9
105.07162	5.3
107.05035	1.2
107.08059	1.2
107.08726	3.2
109.06658	2.7
109.10296	2.9
111.03874	0.7
111.04529	1.6
111.08166	0.7
115.05578	3.0
117.07111	0.8
118.04238	0.9
119.08708	2.8
121.02909	0.9
121.06498	4.2
121.10295	1.1
123.04526	1.1
123.08167	1.2
128.06364	2.2
129.07108	1.5
130.07860	0.7
131.05051	2.0
131.08670	1.6
133.06642	2.2
133.10254	1.9
135.04526	0.8
135.11792	1.3
137.06134	3.1
137.09677	1.0
141.07077	1.8
143.08702	1.9
145.06583	1.0
145.10202	1.1
146.03593	7.5
147.11887	0.8
149.06027	1.7
149.09761	0.8
151.11307	1.1
153.06947	5.3
154.07748	4.1
155.08624	0.8
158.07387	1.1
159.08096	1.0
159.11682	0.8
161.05956	26.1
161.09685	1.0
162.03113	4.6
163.03949	1.3
163.11287	0.7
165.05656	1.8
165.06967	31.7
165.12807	0.9
166.07585	1.4
167.08615	1.2
168.05801	0.9
169.06570	1.8
171.08159	1.3
173.09709	2.2
177.05576	1.2
177.07094	1.3
177.12798	1.5
178.07799	0.7
179.08653	2.7
181.06447	7.4
181.07710	0.6
182.07254	13.6
182.08684	0.7
183.07990	1.6
186.06865	1.7
187.07550	1.2
190.02608	7.5
191.03456	2.9
192.05791	1.3
193.06450	26.9
193.12299	1.1
194.07227	4.7
195.08138	1.9
197.06065	2.3
197.09676	3.0
199.03986	1.0
199.07591	2.0
201.09045	4.0
205.04930	39.2
206.05324	1.5
207.08121	1.5
209.06108	2.0
210.06711	24.4
211.07439	5.1
211.56543	0.7
214.06200	3.6
220.05153	1.0
221.05922	33.3
222.06691	3.0
223.07445	1.0
224.08382	1.8
225.05487	2.8
225.09064	69.7
226.09526	2.4
227.06949	4.7
229.08592	2.8
231.13846	1.3
235.07594	0.8
237.05458	0.9
237.17871	0.7
238.06227	11.1
239.06950	5.1
241.08554	1.1
242.05779	3.4
243.06403	0.9
252.07722	2.1
253.08551	100.0
254.09146	8.4
255.06436	2.2
257.08069	17.4
257.11316	0.8
267.10110	5.0
270.08807	4.7
284.29282	1.3
285.07532	13.9
285.11078	88.3
285.26038	0.9
286.11478	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	Mollugin
Peak:m/z	Relative Intensity
55.05502	1.7
63.00031	1.0
67.05494	2.5
69.03416	1.2
77.36543	0.7
79.05476	2.6
81.03411	2.9
81.07034	3.7
91.05461	2.1
93.07042	1.6
95.04976	2.1
95.08610	2.8
97.06514	1.1
100.11251	1.4
105.07019	3.8
107.08569	1.3
109.10145	2.1
111.04453	1.2
115.05464	1.0
115.14539	1.1
119.08604	1.5
121.10150	1.5
131.08485	1.2
133.06480	1.2
133.10127	1.6
135.08017	1.0
135.11745	1.1
137.05948	3.9
141.06969	1.9
145.10133	1.4
146.03587	9.4
147.11696	1.5
153.06902	2.0
154.07727	3.8
161.05963	24.5
162.06735	1.0
165.06970	32.8
166.07674	1.2
171.08174	1.0
175.11168	0.8
176.06393	0.8
177.06889	1.2
179.08553	2.0
181.06409	5.9
182.07263	13.9
183.07927	1.3
193.06459	28.5
193.12270	1.9
194.07204	3.8
195.08168	0.9
197.05933	1.2
197.09628	2.1
199.07552	1.7
207.08131	1.2
209.06023	1.4
210.06729	24.8
211.07420	3.7
221.05960	31.0
222.06596	3.1
223.07657	1.7
224.08301	1.7
225.09074	79.1
226.09413	3.3
227.06990	4.2
235.07573	1.2
237.05421	1.7
238.06204	13.4
238.60907	1.0
239.06963	5.3
242.09274	1.6
243.11369	1.0
253.08559	100.0
254.09123	8.5
255.06494	3.7
258.05179	1.2
267.10141	2.9
270.08905	6.2
284.29391	1.9
285.11169	77.4
285.21979	2.5
286.04568	1.2
286.11356	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01865	3.1
55.05508	13.4
57.03429	14.4
59.04990	1.0
65.03934	0.9
67.05495	17.4
67.18647	1.1
69.03417	3.8
69.07060	5.6
69.38193	4.5
71.04979	3.9
76.31856	0.9
79.05486	18.2
80.05795	0.8
80.34217	0.8
81.03408	100.0
81.07047	21.5
82.03728	1.4
83.04958	9.5
83.08609	25.1
85.02895	23.1
85.06522	1.9
91.05475	22.1
93.07034	13.1
95.04958	30.0
95.08611	7.7
97.02892	2.9
97.06522	4.4
97.10170	2.5
99.08118	1.4
105.07013	18.8
107.04932	6.0
107.08575	7.9
109.06480	4.7
109.10138	7.5
111.04428	2.1
111.08061	12.5
113.06012	1.9
114.08418	0.9
115.05460	1.5
117.06976	1.3
119.08566	14.4
120.08012	0.9
120.08910	1.0
121.06498	2.4
121.10120	8.7
123.08043	2.3
123.11726	2.1
125.09572	1.5
129.06996	8.9
131.08543	9.9
133.06462	3.3
133.10089	6.5
135.11725	2.6
137.06021	0.9
137.09605	4.0
142.07764	2.5
143.08554	1.4
145.10106	2.2
147.08023	3.6
147.11652	10.3
149.09593	4.7
153.06978	1.5
153.12724	1.5
157.10091	10.5
161.05969	3.2
165.06969	5.1
165.09114	1.1
165.12747	3.1
169.10193	0.9
175.11171	13.8
181.06410	1.2
182.07239	1.5
183.11650	1.2
193.06493	3.2
193.12216	45.7
194.12579	0.9
199.14630	1.2
210.06741	4.4
211.13254	18.1
211.15085	1.2
221.05884	4.8
224.08354	1.3
225.09053	6.9
229.14296	1.7
238.06187	1.5
239.06952	0.9
253.08537	12.7
254.09209	1.0
267.10162	1.6
267.15860	7.4
267.20947	0.9
267.25000	1.0
268.16275	1.2
270.08801	1.3
281.99286	1.0
285.07938	1.3
285.11273	9.6
285.16910	14.8
285.22104	3.3
285.26138	2.9
286.27158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55130	2.6
53.03931	4.8
55.01855	8.9
55.05503	36.1
55.31585	2.8
57.03429	61.9
61.02907	4.5
65.03921	5.9
67.05498	57.6
69.03416	14.3
69.07069	17.0
69.29152	13.7
71.04984	16.7
79.05481	45.9
81.03404	100.0
81.07045	67.2
83.04975	26.4
83.08612	37.4
85.02891	87.1
85.06499	5.1
87.04448	5.2
91.04932	4.8
91.05464	62.9
93.07032	44.4
95.04958	53.2
95.08594	33.5
97.02873	9.4
97.06517	15.4
97.10144	3.5
98.22643	4.5
98.61879	2.8
99.08108	3.9
105.07011	52.0
107.04920	10.9
107.08582	29.9
109.06503	21.0
109.10151	15.3
111.04436	7.7
111.08050	24.5
113.05959	4.4
115.05430	4.6
117.07003	3.2
119.08575	36.3
121.06493	4.3
121.10131	26.2
123.04372	3.3
123.08072	18.0
123.11700	4.5
125.05935	4.4
129.06987	21.7
131.08525	19.9
133.06522	6.9
133.10100	22.0
135.11691	5.1
137.05940	3.8
137.09563	8.8
139.11214	6.8
142.07788	4.4
143.08522	6.4
145.10136	7.6
146.03586	4.7
147.08022	4.6
147.11676	33.5
149.09644	17.8
153.06923	3.6
154.07742	5.0
157.10100	30.9
159.07907	3.2
159.11578	4.3
161.05956	8.5
161.09666	3.7
163.11159	5.6
165.06973	25.6
165.12706	9.7
167.10712	4.1
175.11174	31.6
177.12749	8.8
181.06505	6.6
182.07201	11.9
185.13211	3.5
193.06468	19.9
193.12218	88.7
194.07126	4.0
195.13802	3.7
209.05840	5.6
210.06697	13.4
211.07283	2.8
211.13266	55.4
221.05936	23.7
224.08424	5.3
225.09026	17.6
227.06963	7.1
231.13774	6.7
238.06297	5.5
239.07138	4.4
239.10764	3.5
249.14807	7.7
250.25084	3.5
252.07762	3.9
253.08553	32.3
255.06357	5.8
267.10147	11.2
267.15854	10.5
267.25089	3.1
268.26303	7.8
269.73721	3.0
270.08752	6.9
285.11191	79.2
285.16855	68.8
285.21985	6.3
286.11490	3.7
286.27332	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28819	1.8
53.03946	2.2
55.01868	3.4
55.05507	17.2
57.03433	26.3
57.07066	2.2
63.00021	2.9
67.05493	27.3
69.03422	4.4
69.07067	8.8
71.04986	6.3
72.94080	1.8
79.05486	28.0
81.03406	100.0
81.07044	31.7
83.04965	10.1
83.08614	29.2
85.02895	37.5
85.06526	3.3
91.05470	32.1
93.07043	17.8
95.04955	35.8
95.08591	16.7
97.02867	6.8
97.06518	6.4
97.10155	3.6
99.08113	2.4
100.11259	2.3
105.07013	24.2
107.04929	9.2
107.08616	8.7
109.06503	7.3
109.10182	4.6
110.63895	1.9
111.04430	2.5
111.08062	12.8
115.05411	2.4
117.07024	2.3
119.08565	21.1
121.06525	2.2
121.10115	13.7
122.40188	1.8
123.08044	3.4
123.11709	5.8
125.09624	3.2
129.06973	14.8
131.04953	2.2
131.08553	14.4
133.06422	2.9
133.10106	10.4
135.11560	2.6
137.05922	3.3
142.07762	4.9
142.12292	1.9
143.08568	2.4
145.10132	4.1
147.08041	2.1
147.11633	17.6
149.05959	2.2
149.09613	7.5
157.10056	15.0
161.05968	9.1
165.07022	12.2
165.12758	7.5
166.29204	1.8
167.07112	2.8
167.08562	5.8
175.11163	17.5
181.06523	3.9
182.07230	4.3
193.06432	11.6
193.12218	66.3
194.12718	2.2
195.08035	6.0
197.09630	2.1
198.09166	8.1
210.06784	8.3
211.07504	3.5
211.13232	30.9
215.11842	3.7
221.05991	7.8
223.07768	2.2
225.09036	22.2
226.08600	2.2
229.14331	3.1
236.19014	1.8
238.06178	4.5
243.11301	15.5
253.08568	32.2
254.08992	2.3
267.10165	3.3
267.15854	7.8
285.07639	3.9
285.11249	29.0
285.16769	23.9
285.21860	3.5
285.29907	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.8
55.05500	10.7
57.03228	1.3
57.03434	14.5
67.05146	2.5
67.05492	25.0
69.03426	2.3
69.07050	12.4
69.95416	2.0
69.95779	2.9
70.07433	1.4
71.04963	3.3
79.05479	22.1
81.07043	68.8
82.07368	2.3
83.04965	7.4
83.08611	5.7
85.06527	4.7
91.05465	34.6
92.43260	1.3
93.07032	17.5
95.04971	11.7
95.08588	13.7
97.06520	13.8
99.08063	3.9
105.07015	42.1
105.07729	2.1
107.04916	2.8
107.08563	12.9
109.06482	11.6
109.10147	5.0
111.04414	1.9
113.05998	4.0
115.05436	2.9
117.07009	2.4
119.08558	36.5
121.10112	21.2
123.08041	4.1
123.11681	27.5
127.07439	1.7
129.06984	14.9
131.08527	8.3
133.10109	11.4
135.11697	1.9
137.09680	1.5
137.13307	2.5
142.07764	2.9
143.08563	2.1
145.10052	3.5
147.07948	2.2
147.11658	100.0
148.11998	3.8
149.09613	5.5
155.08580	1.4
157.10101	24.1
158.10353	2.0
161.05988	4.4
161.13225	1.3
165.07043	6.7
165.12735	36.1
167.08546	2.4
169.10126	2.2
171.11688	3.0
173.13275	1.5
175.11150	22.6
181.06360	2.0
182.07245	3.2
183.13683	2.7
193.06500	4.2
193.12233	11.1
195.08078	2.5
197.13107	1.4
210.06735	2.8
210.85176	1.4
211.13237	3.1
221.05930	5.5
225.09030	11.5
229.14310	82.2
230.14664	2.1
243.11087	1.5
253.08502	17.5
254.09077	2.9
267.15842	1.9
267.20987	1.8
285.11429	9.7
285.16888	26.2
285.21854	10.2
285.29468	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2209
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05487	28.5
67.05494	31.7
69.07063	87.2
69.17926	19.3
69.18333	40.6
71.05001	9.6
81.07029	50.4
91.05458	26.7
93.07027	41.9
95.04970	13.3
95.08600	46.0
97.06521	24.6
104.96704	13.1
105.07021	77.1
105.12756	8.9
107.08598	50.7
109.06497	25.0
109.10128	36.4
117.06978	13.1
119.08562	100.0
121.06484	25.8
121.10106	50.8
123.11684	37.1
126.34165	9.1
131.08528	22.8
133.10117	57.5
135.08063	9.5
135.11710	22.3
137.09656	12.1
143.08582	17.7
145.10078	30.1
147.11650	38.2
157.10162	24.9
159.11638	19.6
161.09589	99.4
161.13240	10.7
169.48108	10.2
171.11673	12.8
175.14813	76.8
177.16316	21.8
193.15907	19.3
197.13345	9.0
211.14676	13.5
267.20938	22.0
285.22073	60.6
285.33511	18.8
296.44260	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	285.221
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03930	5.8
55.05245	3.2
55.05489	17.5
56.96537	10.5
57.03431	9.0
67.05497	35.8
69.03426	4.3
69.07058	21.7
71.04992	5.2
78.90594	3.5
79.05473	35.5
81.03425	7.2
81.07048	96.0
82.62266	2.8
83.04983	6.1
83.08607	12.8
85.06483	3.8
91.05473	34.0
93.07044	36.9
95.04986	17.5
95.08592	55.3
97.06510	7.7
97.10133	5.9
100.11279	3.7
105.07018	53.9
107.08590	43.2
109.06482	7.8
109.10151	16.7
109.92225	3.5
115.05371	4.1
117.06989	16.7
119.08562	36.4
121.06515	4.1
121.10151	27.1
123.08087	4.1
123.11687	10.6
128.06078	3.6
129.06985	9.9
131.08546	24.6
133.10126	28.5
135.08075	5.0
135.11668	11.2
143.08557	15.1
145.10106	30.9
147.11653	39.5
149.13232	4.4
155.08577	9.3
157.10089	16.3
159.11676	23.8
161.13260	14.3
165.06982	7.9
165.12703	11.9
169.10081	11.0
171.11702	17.9
173.13232	17.0
175.14793	7.4
183.11699	8.5
185.13226	13.5
187.14763	8.5
189.12718	6.1
193.06552	3.7
193.12224	4.2
197.13286	11.8
199.14832	14.3
201.16353	8.2
203.14363	4.7
210.06647	5.5
211.14761	10.1
212.15656	3.6
213.16434	3.7
217.07414	4.3
221.06036	6.3
225.09113	6.9
225.16406	6.9
227.17915	13.0
229.15916	5.7
235.08383	5.4
239.18034	4.6
243.11253	5.7
253.08554	18.6
257.22580	6.0
267.21063	35.0
285.11545	10.9
285.16907	7.6
285.22015	100.0
286.22424	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	285.2211
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
51.02369	1.9
53.02328	1.9
55.01849	4.1
55.05505	15.2
55.74722	2.0
57.03418	8.7
57.07065	2.7
67.05499	30.1
68.64110	2.3
69.03414	4.2
69.07050	14.5
71.04967	5.8
71.63692	1.8
72.73807	2.0
79.05484	25.9
81.03407	21.0
81.07047	58.3
83.04940	6.4
83.08609	12.3
85.02880	13.5
85.06544	3.0
88.14951	1.8
91.05473	29.2
93.07036	38.1
94.06534	4.3
95.04963	19.9
95.08595	42.4
96.05365	1.9
97.02869	3.3
97.06517	5.4
97.10146	2.2
100.03961	2.5
100.11178	2.0
105.07019	45.8
106.05000	2.5
107.08580	31.6
108.41201	1.8
109.06477	5.1
109.10130	20.7
111.08060	7.3
113.05943	1.9
115.05442	5.0
117.07000	11.3
119.08558	30.1
121.06523	2.7
121.10126	21.5
122.06032	2.5
123.07208	2.2
123.08060	5.0
123.11670	7.0
125.09564	2.9
128.06284	2.4
129.06972	9.5
131.08539	19.0
133.06522	5.0
133.10117	23.8
135.11687	9.8
137.05951	5.5
137.09595	3.0
141.06905	3.9
142.07742	3.5
143.08533	12.1
145.10110	25.7
146.03606	5.4
147.07970	3.4
147.11658	24.0
149.09583	6.6
149.13220	7.3
153.06940	6.0
154.06560	3.2
154.07712	3.4
155.07368	3.1
155.08525	9.2
157.10066	17.2
159.08057	2.9
159.11673	15.5
161.05966	13.4
161.09532	4.2
161.13271	9.9
163.14758	2.5
165.06976	30.5
165.12747	3.0
167.08528	4.0
169.06421	2.5
169.10181	10.3
170.09561	10.4
171.11679	13.3
172.09877	3.4
172.11194	3.6
173.13210	9.3
175.11159	10.7
175.14781	8.2
179.08543	2.6
181.06421	9.8
182.07220	8.1
182.10887	3.1
183.11665	7.0
184.11142	2.8
185.13257	10.2
187.12306	12.4
187.14813	5.7
189.16338	3.4
193.06480	17.8
193.12245	19.8
194.07034	3.6
197.09625	3.9
197.13193	8.1
198.09090	31.1
199.07388	3.3
199.14832	10.6
200.09344	5.7
201.16399	6.2
209.05957	4.2
210.06738	21.5
211.13194	8.5
211.14952	10.5
212.10582	6.3
215.11792	22.9
215.13876	3.3
215.17957	3.2
221.05937	22.6
222.06992	2.0
224.08261	3.1
225.09064	37.3
225.16257	5.7
226.08649	8.4
227.06900	5.4
227.17908	9.6
229.15846	6.0
238.06165	7.6
239.07005	5.5
239.10497	2.6
239.17833	4.6
240.10048	3.1
243.11261	89.9
244.11575	3.8
249.18428	2.2
252.07863	5.3
253.06018	3.9
253.08565	50.5
254.09077	6.0
255.06438	4.5
257.12759	5.0
257.18942	3.0
267.10095	12.6
267.21036	22.7
270.08786	9.1
285.11520	86.6
285.17032	8.3
285.22101	100.0
285.25464	3.8
286.11826	5.1
286.22458	3.9
289.70612	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95238	2.9
55.05255	4.8
55.05505	73.7
57.03419	3.5
57.07065	14.8
58.86351	3.6
65.31827	3.0
67.05492	66.0
68.62230	3.0
69.06705	6.4
69.07061	99.8
71.04957	7.0
71.27953	3.6
74.20232	3.7
79.05473	23.8
81.07044	100.0
83.04951	8.1
83.08606	59.3
84.70375	3.1
85.06535	9.7
85.10164	3.3
91.05470	21.7
93.07023	43.9
95.04932	3.8
95.08592	94.6
95.09211	5.0
97.06512	14.6
97.10160	55.7
99.08064	6.3
102.22668	3.5
105.07024	28.7
107.08582	24.0
109.06506	5.3
109.10138	41.7
111.08073	8.3
111.11702	24.1
119.08591	24.4
121.10128	41.8
123.08035	5.0
123.11667	15.9
125.09679	5.0
125.13241	7.0
126.11832	3.2
133.10100	28.2
135.11670	46.0
137.09608	7.7
137.13200	9.4
139.11151	10.9
147.11664	18.6
149.13242	9.2
151.11156	5.9
151.14778	9.7
153.12761	11.1
161.13258	18.8
163.14862	4.3
165.12741	10.3
167.11217	3.1
175.14796	10.3
179.14331	6.7
191.17986	4.2
193.15930	4.8
193.19458	7.8
217.19458	52.5
218.40062	3.2
227.18047	3.4
235.20552	41.0
253.21613	10.3
285.18597	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	285.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	70.4
57.07065	21.1
66.23134	8.0
67.05492	62.4
69.07059	100.0
71.08602	9.9
77.22289	6.8
79.05486	32.2
81.07048	98.8
83.08601	63.0
91.05478	21.7
93.07035	38.2
95.04985	8.0
95.08594	87.8
97.06489	8.8
97.10172	41.7
105.07025	26.2
107.08588	27.2
109.10144	44.8
111.08032	11.3
111.11715	19.3
113.09681	7.7
119.08563	24.0
121.10140	32.2
123.11694	20.2
127.00698	6.4
133.10117	25.6
135.11690	39.6
137.13266	19.3
147.11671	21.2
149.13257	14.8
151.11201	9.0
161.13287	14.5
161.82854	6.9
164.92070	15.2
165.12727	8.1
175.14685	8.2
177.11194	6.7
185.55725	7.5
200.71159	6.6
211.13257	8.3
214.09430	6.7
217.19476	48.8
235.20563	27.5
240.23204	12.3
253.21689	8.7
285.18533	8.2
285.29608	7.9
286.27524	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	286.0476
Annotation	Cgs 15943
Peak:m/z	Relative Intensity
56.96552	4.7
70.06100	4.4
70.06579	5.9
84.62829	1.7
93.49291	1.5
98.22675	2.6
98.97550	4.8
101.00826	1.7
102.96864	7.0
112.07607	2.3
119.01895	3.2
120.97879	2.7
121.01644	3.9
124.03943	15.1
125.78079	1.7
138.98859	2.1
157.25565	2.3
160.80057	1.9
165.05467	1.9
173.01248	2.6
174.97633	2.8
179.00677	15.4
202.55763	1.6
213.03194	1.6
216.98671	6.8
220.02101	4.3
221.01741	23.4
227.00795	3.4
235.00015	1.7
245.01765	8.6
262.03201	7.6
262.99399	4.3
263.02814	100.0
264.03015	5.8
281.00266	5.0
286.04666	54.0
287.05304	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	286.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05500	0.3
65.03926	4.3
67.05480	0.9
68.99784	0.6
69.03405	0.2
71.04984	0.3
79.05482	0.7
81.03397	0.5
81.07034	0.9
83.08620	0.3
85.02888	0.4
86.09673	0.2
89.93240	0.2
91.05470	0.6
92.05784	0.2
93.03393	1.2
93.07032	0.8
95.04956	0.5
95.08589	0.5
103.05446	1.2
105.07027	0.4
107.04959	0.5
107.08595	0.3
109.10164	0.5
111.00800	0.3
111.04436	1.5
119.08556	0.3
120.08089	40.4
121.02848	100.0
121.08417	0.7
121.10165	0.2
122.03179	1.7
127.03847	0.2
131.04909	0.8
133.10078	0.3
137.02344	0.6
137.09564	0.2
138.22388	0.2
145.06427	0.3
149.05949	0.6
153.01794	2.1
157.06480	0.4
161.05952	0.3
165.01837	0.9
165.06940	0.3
166.08612	16.6
167.08673	0.4
171.04445	0.2
183.02893	0.5
194.06824	0.2
194.12508	0.3
195.07976	0.3
197.06001	0.2
213.05437	0.5
222.06256	0.5
226.09358	0.7
240.10165	4.2
241.04884	0.3
254.09047	1.1
254.11346	0.2
255.09853	0.2
258.05115	0.5
268.09778	0.3
286.07721	0.3
286.10800	1.9
286.27518	0.3
287.05450	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	286.201
Annotation	Heliovicine
Peak:m/z	Relative Intensity
55.05503	2.3
67.05472	0.3
68.05016	0.6
68.99784	0.5
70.06582	3.1
70.96488	0.3
71.08606	0.5
73.06535	2.5
81.07030	0.8
82.06571	1.9
83.04974	0.4
84.08119	2.2
92.64516	0.3
96.08112	5.0
97.08893	0.5
109.08890	0.4
111.00620	0.3
115.05405	0.4
121.02817	0.9
122.09669	2.3
124.11212	37.5
125.12067	2.2
135.04405	0.5
142.12247	75.5
143.12595	1.8
149.02321	5.0
153.01834	1.1
157.06438	0.4
175.03984	0.4
185.05978	1.1
189.05449	0.3
196.16927	0.5
203.03342	1.0
213.05460	1.1
217.05081	0.3
224.16454	0.3
231.06516	3.6
241.04901	1.0
242.17480	2.6
252.24889	0.3
259.05988	4.4
268.19128	1.9
269.04364	0.5
286.20081	100.0
287.05618	3.4
287.20395	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	287.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68586	12.2
88.07236	8.6
152.54286	8.2
173.74550	8.2
286.20148	11.6
287.02841	100.0
287.06079	53.1
289.16132	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.1
54.48051	0.1
55.01878	0.2
65.03922	0.4
67.01851	0.4
67.05491	0.2
68.99781	2.5
69.03410	0.3
69.45608	0.4
71.01326	0.1
79.05481	0.8
81.03409	0.4
81.07040	0.4
85.02888	0.1
91.05465	0.4
93.07027	0.1
95.04944	0.5
95.08623	0.1
97.02878	0.2
103.05450	0.3
105.03378	1.2
105.06985	0.3
107.04941	1.3
109.02881	0.9
109.06476	0.2
111.00784	1.7
111.04441	0.7
115.05451	0.3
117.07006	0.2
119.04899	0.2
119.08506	0.1
121.02847	8.3
121.03912	0.6
121.06458	0.3
122.03154	0.1
127.03883	0.4
129.06990	0.4
131.04929	0.2
133.02798	1.1
135.04393	0.3
135.08031	0.5
136.07520	0.2
137.02313	2.7
137.05945	0.4
141.06941	0.4
145.02844	0.1
145.06444	0.7
147.04382	1.6
149.05963	0.4
151.07500	0.3
152.06126	0.2
153.01801	11.1
154.02110	0.2
157.06464	1.6
159.11591	0.1
160.05133	0.1
161.02290	0.2
161.05980	0.4
163.07530	0.5
165.01810	4.1
165.07010	0.2
165.09070	0.2
166.07750	0.3
167.08563	0.7
169.06429	0.2
171.02994	0.2
171.04346	0.7
175.03810	0.3
175.07352	0.1
179.03329	0.1
181.01349	0.1
183.02872	1.7
183.04385	0.2
184.05212	0.2
185.05937	1.3
189.05493	0.3
194.02057	0.1
194.07304	0.2
195.08015	1.1
197.05983	0.4
199.03984	0.2
201.05505	0.2
203.03305	0.1
203.07001	0.4
211.07393	0.2
212.04459	0.1
212.08264	0.2
213.05429	3.6
216.04089	0.2
223.07584	0.2
227.10608	1.3
229.04916	0.6
231.06477	1.3
241.04916	1.8
242.05518	0.2
243.06412	0.2
245.04352	0.2
255.07738	0.1
255.10100	0.8
258.05215	2.7
259.05975	0.9
269.04343	0.5
279.56744	0.1
287.05447	100.0
288.05768	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	287.0543
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03945	0.2
55.01860	0.3
55.05495	0.2
63.00041	0.2
65.03922	0.4
67.01844	0.6
67.05486	0.4
68.99773	2.2
69.03417	0.4
69.07050	0.2
69.44962	0.5
79.05470	0.9
81.03404	0.4
81.07036	0.5
91.05457	0.8
93.03407	0.2
93.07022	0.4
95.04964	0.9
95.08560	0.3
97.02898	0.2
98.23469	0.2
103.05463	0.8
105.03385	1.0
105.04518	0.2
105.07000	0.5
107.04929	1.9
107.08576	0.3
109.02859	0.8
109.06506	0.5
109.10172	0.3
111.00777	1.5
111.04385	0.7
115.05447	0.4
117.07016	0.3
119.04926	0.4
121.02844	7.3
121.03805	0.3
121.06474	1.2
121.10143	0.1
122.03645	0.2
122.06014	0.2
123.04404	0.3
123.11655	0.1
124.07679	0.1
127.03893	0.6
128.06197	0.3
129.06985	0.5
131.04907	0.6
131.08571	0.2
133.02814	1.0
133.06516	0.2
133.10146	0.2
135.04427	0.8
135.08046	1.2
136.07552	1.4
137.02315	2.1
137.05930	1.6
137.09607	0.3
141.06944	0.5
143.04901	0.2
145.06499	1.0
145.07495	0.2
147.04382	1.7
148.05148	0.2
149.05943	1.3
151.03906	0.2
151.07527	1.2
152.06149	1.0
153.01797	10.7
153.06929	0.2
154.02118	0.2
157.06450	1.4
158.05681	0.2
161.02347	0.2
161.05916	0.8
162.06767	0.2
163.03842	0.3
163.07512	2.5
164.07011	1.0
165.01805	3.0
165.05602	0.2
165.06960	0.7
165.09082	0.5
166.07774	0.8
167.07021	0.8
167.08539	3.3
169.06436	0.5
171.03015	0.2
171.04375	0.8
171.08080	0.2
173.07117	0.4
174.06662	0.2
175.03851	0.4
175.07491	0.4
177.05482	0.2
177.06950	0.4
177.09033	0.2
181.06483	0.4
181.10083	0.2
183.02876	1.4
183.08020	0.4
184.08722	0.2
185.05920	1.0
185.09430	0.1
187.07489	0.2
189.05417	0.3
189.09068	0.2
190.02547	0.2
191.03389	0.4
191.07004	0.2
194.02164	0.2
194.07239	0.4
195.08043	4.2
195.09924	0.3
196.08826	0.2
197.05904	0.9
197.08585	0.2
199.03842	0.3
201.05417	0.2
202.82837	0.1
203.03407	0.2
203.07042	0.4
205.04883	1.4
205.06506	0.1
209.09576	0.5
211.07484	0.3
212.04732	0.3
212.08313	0.8
213.05444	2.9
213.08916	0.3
213.11020	0.2
215.06967	0.2
215.09508	0.3
216.04196	0.2
217.04881	0.3
219.06454	0.3
223.04150	0.2
223.07507	1.5
224.08023	0.2
227.07013	0.3
227.10632	5.0
229.04929	0.5
229.12178	0.1
231.06432	1.2
237.09094	0.3
240.07785	0.2
241.04901	1.7
241.08566	0.2
241.12138	0.3
243.06444	0.2
245.04546	0.2
245.10547	0.3
255.10103	3.6
256.10880	0.2
258.05222	2.2
259.05783	0.9
259.09689	0.4
263.11786	0.2
269.04346	0.6
269.07358	0.1
269.11792	0.3
287.05438	100.0
288.05789	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01868	0.2
55.05494	0.6
56.05842	0.2
57.03427	0.2
57.46294	0.1
58.06593	0.2
63.03911	0.2
65.03931	0.5
67.01855	0.5
67.05497	1.7
68.99782	2.2
69.03413	0.6
69.07055	0.3
69.83684	0.5
70.06568	0.2
71.04975	0.2
77.03903	0.2
79.05483	1.0
80.68611	0.1
81.03416	0.8
81.07043	1.4
82.03732	0.2
82.07398	0.2
83.04972	0.3
83.08593	0.2
85.02891	0.3
87.16235	0.2
91.05461	1.4
93.07025	0.8
94.06516	0.2
95.04959	1.0
95.08589	1.1
97.06514	0.3
98.09657	0.2
98.23373	0.2
100.44546	0.1
105.03381	0.8
105.04510	0.2
105.07005	0.7
107.04930	1.2
107.08562	0.4
108.08080	0.3
109.02834	0.8
109.06491	0.3
109.10142	1.0
111.00789	1.2
111.04428	0.3
115.05456	0.2
117.07006	0.4
119.04958	0.2
119.08567	0.4
121.02850	6.7
121.03788	0.3
121.06499	0.2
121.10135	0.4
122.05997	0.7
122.13505	0.2
124.07600	0.5
127.03912	0.4
128.67850	0.2
129.06995	0.5
131.08551	0.4
133.02846	0.8
133.10170	0.3
135.04465	0.2
135.07993	0.3
135.11673	0.4
136.07556	10.5
137.02315	2.3
137.06024	0.2
137.09605	0.5
145.06471	0.6
145.10094	0.3
147.04366	1.5
147.11684	0.3
149.05939	0.3
149.13257	0.2
151.07516	0.2
152.07039	0.7
153.01799	9.7
155.06096	0.2
157.06474	1.2
157.10109	0.2
158.23134	0.1
159.11623	0.2
161.05949	0.4
163.07538	0.3
164.07039	7.0
165.01808	3.3
165.07181	0.2
165.09084	0.4
167.08574	0.5
169.06482	0.2
171.04391	0.6
173.05962	0.2
173.11803	0.4
175.03857	0.3
179.99001	0.1
183.02867	1.6
185.05963	0.9
189.05353	0.3
193.12137	0.2
194.12553	0.3
195.08049	0.6
197.05933	0.4
201.05424	0.2
203.07002	0.3
203.10756	0.2
212.08260	0.2
213.05446	3.0
227.10637	0.6
229.04906	0.4
231.06509	1.1
240.04248	0.2
241.04868	1.5
245.04311	0.2
250.25208	0.2
251.20053	0.2
255.10219	0.4
257.04453	0.2
258.05191	2.2
259.05978	1.0
259.08673	0.1
268.26224	0.2
269.04422	0.3
286.27368	1.0
287.05447	100.0
288.05750	3.0
296.20041	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
55.01870	0.2
55.05492	0.2
65.03925	0.4
67.01856	0.3
67.05488	0.3
68.99786	2.3
69.03426	0.3
79.01877	0.1
79.05476	1.0
81.03398	0.6
81.07029	0.1
85.48384	0.1
86.09689	0.2
91.05447	0.2
95.04956	0.7
95.08636	0.1
97.02887	0.2
103.05451	0.3
105.03363	1.0
105.04514	0.2
107.04960	1.4
107.08592	0.2
109.02857	0.8
111.00800	1.4
111.04414	0.5
112.63788	0.1
115.05446	0.2
117.07009	0.2
119.05022	0.2
121.02851	8.0
121.03899	0.4
123.04379	0.2
127.03867	0.6
129.06985	0.4
131.04929	0.2
133.02849	1.1
135.04407	0.5
136.07564	0.4
137.02318	2.4
141.06975	0.3
143.04823	0.1
145.06444	0.7
147.04404	1.7
153.01807	11.2
157.06468	1.5
161.02377	0.1
161.05988	0.5
165.01814	3.4
169.06528	0.3
171.02995	0.3
171.04381	0.8
175.03824	0.3
175.07520	0.2
183.02895	1.5
184.05289	0.2
185.05989	1.2
189.05467	0.4
190.52415	0.1
197.05969	0.5
199.03902	0.3
201.05533	0.2
203.03380	0.2
203.06950	0.2
210.08784	0.1
212.04695	0.1
213.05431	3.2
214.05850	0.2
216.04233	0.2
217.05019	0.3
229.04965	0.4
231.06467	1.1
241.04903	1.9
242.05701	0.2
245.04457	0.2
258.05249	2.3
259.05945	1.0
269.04517	0.3
287.05450	100.0
288.05795	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	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03925	0.2
55.05498	0.3
59.59449	0.1
62.40121	0.1
65.03941	0.5
66.97603	0.1
67.01858	0.3
67.05499	0.3
68.99776	2.4
69.03436	0.3
69.92220	0.4
73.08006	0.1
77.03950	0.2
79.01848	0.1
79.05474	0.9
81.03409	0.4
81.07042	0.4
84.54323	0.1
91.05466	0.3
93.07046	0.3
95.04940	0.5
95.08601	0.5
98.22673	0.2
103.05450	0.1
105.03371	1.0
105.07031	0.3
107.04945	1.1
109.02843	0.7
109.10155	0.3
111.00778	1.6
111.04418	0.5
115.05436	0.3
117.06973	0.4
119.04919	0.3
119.08533	0.2
120.08858	0.1
120.28899	0.1
121.02850	7.3
121.03963	0.5
121.06468	0.3
121.10160	0.3
127.03912	0.6
128.06267	0.1
129.06978	0.5
131.04904	0.1
133.02843	0.9
135.04434	0.4
137.02316	2.4
139.05428	0.2
141.06958	0.4
142.23180	0.1
145.06474	0.6
145.10011	0.2
147.04367	1.8
147.11659	0.2
153.01802	10.7
154.02180	0.2
157.06485	1.7
159.11626	0.2
161.05949	0.5
165.01805	3.3
169.06358	0.2
171.02989	0.2
171.04398	0.7
175.03922	0.2
183.02876	1.5
185.05972	1.1
189.05400	0.3
195.04222	0.2
195.08029	0.2
197.05968	0.4
199.03755	0.2
199.14713	0.2
201.05460	0.2
203.07028	0.2
212.04674	0.2
213.05423	3.0
217.04872	0.2
227.10539	0.2
229.04893	0.5
231.06485	1.4
241.04932	1.6
243.06506	0.2
251.94107	0.1
258.05185	2.2
259.06021	0.8
269.04242	0.3
286.04550	0.2
287.05444	100.0
287.23663	0.4
288.05789	3.7
290.19803	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.64489	0.1
53.03933	0.2
54.09826	0.1
55.01852	0.2
55.05490	0.1
59.35220	0.1
63.47827	0.1
65.03915	0.4
67.01845	0.7
67.05495	0.2
68.99781	2.6
69.03412	0.3
71.24378	0.2
77.03915	0.2
79.05482	1.0
81.03402	0.4
81.07036	0.4
89.03928	0.2
91.05463	0.7
94.04221	0.2
95.04953	0.6
95.08585	0.2
103.05444	0.4
105.03384	0.8
105.04465	0.1
105.07013	0.4
107.04934	1.2
107.08556	0.2
109.02859	0.8
109.06506	0.3
109.10152	0.3
111.00768	1.4
111.04412	0.6
115.05407	0.2
117.07000	0.2
119.04929	0.2
121.02849	6.7
121.03945	0.5
121.06462	0.8
127.03913	0.3
128.06146	0.1
129.07001	0.5
131.04904	0.5
133.02811	0.8
134.03635	0.2
135.04396	1.1
135.08025	0.8
136.07558	1.3
137.02328	2.1
137.05972	1.2
137.09607	0.3
137.73927	0.1
141.06924	0.4
143.04898	0.3
145.06459	0.8
147.04398	1.3
149.05951	1.1
151.07579	0.7
152.06155	0.8
153.01805	12.5
153.06915	0.2
154.02158	0.2
155.06049	0.2
157.06487	1.3
161.02296	0.3
161.05969	0.7
163.03929	0.2
163.07494	1.3
164.06975	0.8
165.01810	3.4
165.06990	0.6
165.09119	0.2
166.07770	0.6
167.04932	0.2
167.08536	2.5
169.06491	0.4
171.02936	0.3
171.04375	0.6
173.05959	0.2
175.03853	0.3
177.05484	0.2
177.06958	0.3
177.09119	0.2
179.03374	0.2
181.06424	0.3
181.10147	0.2
183.02863	1.4
184.08713	0.2
185.05959	1.3
189.05440	0.3
190.02478	0.2
192.02931	0.2
194.07280	0.3
195.08034	3.3
197.05891	0.7
199.03937	0.1
201.05505	0.2
203.03410	0.2
203.06989	0.5
205.04907	0.9
208.11284	0.1
209.09595	0.2
211.07474	0.3
212.08194	0.5
213.05434	3.2
214.05840	0.1
216.04059	0.2
217.04961	0.3
223.07530	0.8
227.08417	0.2
227.10638	2.8
229.04971	0.4
231.06448	1.4
240.07948	0.2
241.04927	1.7
245.04463	0.2
255.10132	2.7
258.05228	1.8
258.12631	0.2
259.05972	0.7
260.27643	0.1
263.05490	0.2
268.26477	0.2
269.04327	0.4
286.27362	0.5
287.05444	100.0
288.05777	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01853	0.2
57.93015	0.1
65.03918	0.3
67.01854	0.4
68.99780	2.4
69.03407	0.3
78.28131	0.2
79.05503	0.9
81.03395	0.5
81.07066	0.2
91.05472	0.2
92.24337	0.1
95.04964	0.4
103.05476	0.3
105.03389	0.9
105.07030	0.2
107.04941	1.0
109.02851	0.7
111.00812	1.6
111.04422	0.5
115.05396	0.3
117.06978	0.2
119.04893	0.2
121.02856	7.4
121.03883	0.5
121.06486	0.3
123.02148	0.1
126.86986	0.1
127.03898	0.3
129.06979	0.5
133.02831	0.8
135.04385	0.5
137.02325	2.3
137.05907	0.2
139.05493	0.2
141.06996	0.3
145.06451	0.5
147.04396	1.5
153.01811	12.0
154.02206	0.3
155.05981	0.2
157.06470	1.7
161.05962	0.4
163.03873	0.2
163.07503	0.2
165.01814	3.8
167.08536	0.4
169.06474	0.1
171.03006	0.2
171.04372	0.8
175.07510	0.2
183.02882	1.8
185.05934	1.0
189.05482	0.2
195.08032	0.4
197.06023	0.3
199.03870	0.2
201.05489	0.3
203.07043	0.4
212.04683	0.2
213.05432	3.6
215.55142	0.1
216.04221	0.3
217.04932	0.2
219.06345	0.2
227.10616	0.5
229.04910	0.5
231.06516	1.4
241.04932	1.6
243.06540	0.2
255.10182	0.4
258.05182	2.4
259.05988	1.0
267.56912	0.1
269.04391	0.3
287.05463	100.0
288.05801	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.83408	0.2
59.41283	0.2
67.01859	1.8
68.99782	1.6
70.34767	0.4
79.05472	0.6
85.71574	0.2
89.03912	0.9
95.04908	0.4
95.51650	0.2
101.93052	0.2
107.04930	0.4
111.04423	0.2
115.05441	0.3
117.03355	0.9
119.29764	0.2
121.06489	0.2
129.01785	0.2
131.04938	0.2
135.04398	4.9
137.02313	1.2
139.02502	0.2
143.04953	0.2
147.04318	0.2
149.06030	0.2
153.01805	11.5
154.02196	0.2
157.06496	0.2
161.02321	1.3
162.03069	0.5
171.02863	0.6
179.03369	0.4
185.05954	0.4
190.02563	0.7
191.03374	0.3
199.03819	0.2
203.03285	0.3
205.04921	4.8
213.05452	0.7
219.06491	0.5
231.06581	0.3
241.04837	1.3
258.50592	0.2
259.06052	0.3
259.09650	0.2
260.46893	0.2
263.05634	0.2
263.98364	0.2
269.04419	0.8
287.05450	100.0
288.05774	3.4
300.39700	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20761	0.2
54.58567	0.2
55.05492	0.3
62.87001	0.2
65.03928	0.4
66.38741	0.2
67.01849	0.4
67.05488	0.5
68.99773	2.3
69.03422	0.4
69.07043	0.4
69.55436	0.6
69.55844	0.4
71.01316	0.2
71.04946	0.2
79.05496	1.0
81.03403	0.3
81.07047	1.0
83.04930	0.2
84.08117	0.2
91.05461	0.8
93.07022	0.9
94.04213	0.2
95.04964	0.5
95.08607	1.0
98.06027	0.6
103.05441	0.4
105.03355	1.0
105.07040	0.9
107.04926	1.0
107.08569	0.8
109.02855	1.1
109.06503	0.2
109.10116	0.6
111.00778	1.6
111.04402	0.4
115.05441	0.2
117.03606	0.2
117.07024	0.4
119.04946	0.3
119.08543	0.7
121.02852	7.1
121.03814	0.4
121.06466	0.4
121.10111	0.7
126.09132	1.4
127.03899	0.3
128.06125	0.2
129.06979	0.5
131.08563	0.4
133.02829	0.9
133.06438	0.2
133.10162	0.3
135.04379	0.4
135.08000	0.2
135.11682	0.2
137.02310	2.4
137.09579	0.2
141.06976	0.4
143.08478	0.2
145.06461	0.4
145.10100	1.1
147.04388	1.8
147.11659	0.4
149.13318	0.3
153.01805	11.3
153.39656	0.2
157.06480	1.3
157.10068	0.3
159.11665	0.4
161.05907	0.3
165.01804	3.9
171.04367	0.7
171.11659	0.2
172.67564	0.2
173.05896	0.2
173.13280	0.3
175.07544	0.2
183.02916	1.8
185.05945	0.8
185.13257	0.3
189.05536	0.3
195.08070	0.4
197.05952	0.6
199.03851	0.2
201.16380	0.7
203.06888	0.4
213.05417	3.3
216.04080	0.2
217.04935	0.2
229.04956	0.6
231.06461	1.1
241.04890	1.5
258.05209	2.6
259.05972	0.8
269.04416	0.4
269.22583	0.4
287.05447	100.0
287.23465	1.4
288.05777	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.1
52.99357	0.2
53.03922	0.2
53.34705	0.1
55.05494	0.5
55.49082	0.1
57.03414	0.2
65.03915	0.5
67.01839	0.4
67.05496	1.0
68.99776	2.5
69.03410	0.4
69.07057	0.5
69.22388	0.7
70.06587	0.2
71.04996	0.2
73.87537	0.1
79.05482	1.1
80.67500	0.2
81.03407	1.0
81.07038	1.0
82.03728	0.2
83.08614	0.3
85.06535	0.2
86.09692	0.5
91.05453	0.7
93.07022	0.7
95.04952	1.0
95.08566	0.9
97.02881	0.4
97.06518	0.3
97.10130	0.2
103.05460	0.2
105.03386	0.8
105.04512	0.2
105.07007	0.9
107.04941	1.1
107.08567	0.6
109.02850	0.8
109.06517	0.4
109.10120	0.5
111.00801	1.4
111.04449	0.7
111.08074	0.2
115.05446	0.4
117.06998	0.4
119.04908	0.4
119.08549	0.6
121.02852	7.2
121.03941	0.6
121.06457	0.2
121.10120	0.4
123.08072	0.2
123.11675	0.2
125.09560	0.2
127.03870	0.2
128.06219	0.3
128.10655	0.1
129.06981	0.5
131.04933	0.2
131.08537	0.5
132.10164	0.2
133.02803	1.1
133.10100	0.4
135.04396	0.3
135.08038	0.3
135.11674	0.3
136.07549	0.2
137.02313	2.3
137.06009	0.2
137.09590	0.2
139.05438	0.2
141.07002	0.4
143.08514	0.3
145.06404	0.8
145.10094	0.3
147.04382	1.5
147.08067	0.2
147.11668	0.4
151.03853	0.2
151.07480	0.2
153.01796	11.4
154.02148	0.4
157.06462	1.6
157.10040	0.3
159.08026	0.2
159.11636	0.7
161.05951	0.4
161.13152	0.2
164.07074	0.2
165.01813	3.9
165.06921	0.2
166.07648	0.2
167.08574	0.3
169.06427	0.3
171.02991	0.2
171.04332	0.9
171.11711	0.3
173.05981	0.3
173.13243	0.2
175.04036	0.2
175.07565	0.2
183.02863	1.9
183.11742	0.2
185.05898	1.3
187.11121	0.3
187.14766	0.2
189.05457	0.4
193.10007	0.2
194.12558	0.2
195.08046	0.4
197.05913	0.4
197.13168	0.2
199.11070	0.2
199.14757	0.4
200.10715	0.3
201.05412	0.2
202.10947	0.2
203.07010	0.4
211.10992	0.2
213.05402	3.1
213.07269	0.3
217.05037	0.2
217.13351	0.2
218.02168	0.1
223.14697	0.3
225.05563	0.1
227.10458	0.4
227.14206	0.2
229.04886	0.5
231.06432	1.2
241.04924	2.1
241.15767	0.8
242.05679	0.2
242.11749	0.2
243.06450	0.2
245.12888	0.8
255.10172	0.2
257.12698	0.3
258.05219	2.5
259.06012	0.9
269.04364	0.5
269.12769	0.3
286.27469	0.7
287.05438	100.0
287.23560	0.4
288.05774	3.7
305.14954	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	287.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02121	0.2
53.03938	0.2
67.01849	0.4
68.99773	0.8
70.15354	0.4
77.03944	0.2
79.05479	0.4
79.66974	0.1
83.01332	1.4
91.05470	2.1
93.07037	1.3
95.04979	0.8
103.05444	0.6
105.07008	0.3
106.04137	0.6
109.06512	0.4
111.04391	0.2
119.04899	0.5
121.02830	0.3
121.06481	6.6
131.04900	1.7
132.38313	0.2
134.03619	1.8
147.04398	0.4
149.02327	0.4
149.05943	2.7
161.02295	0.3
162.03091	14.4
163.03497	0.3
164.45027	0.2
177.05415	2.5
190.02574	20.1
191.02917	0.5
205.04919	100.0
206.03574	0.3
206.05289	3.1
207.05489	0.2
207.18787	0.2
224.71053	0.1
234.75581	0.2
246.07559	0.4
256.84283	0.2
287.05524	0.7
287.09073	3.4
287.12183	0.2
287.23825	0.2
288.09366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78327	0.2
54.06433	0.2
55.01865	0.3
57.07067	7.9
58.06594	1.2
58.07393	0.5
60.04547	0.3
62.05816	0.3
62.06086	3.4
62.95756	0.2
67.01859	0.3
68.99775	0.7
69.03409	0.4
69.07051	0.5
70.06583	0.4
70.15882	0.7
71.08623	4.9
72.08134	1.5
72.08939	0.5
74.06076	0.4
79.05498	0.4
80.72843	0.3
82.46684	0.2
83.01325	1.5
87.04456	0.6
91.05465	1.7
93.07018	1.5
95.04935	0.7
103.05447	0.8
105.04542	0.3
105.07001	0.4
106.04157	0.4
109.06508	0.4
119.04906	0.9
121.02855	0.4
121.06477	6.7
131.04909	2.0
134.03624	1.5
147.04419	0.6
149.02310	0.3
149.05937	2.6
156.17445	3.8
157.17772	0.4
159.04422	0.4
162.03093	13.5
163.03491	0.3
170.19014	0.4
172.16919	0.4
174.18517	8.7
175.18845	1.7
177.05464	2.7
190.02589	20.1
191.02905	0.7
192.03059	0.4
205.04936	100.0
206.05266	4.1
207.05521	1.9
226.25346	0.3
246.07567	0.7
268.29916	0.8
286.31006	68.3
287.09073	3.7
287.12170	0.4
287.31332	25.5
288.28934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.12423	0.2
57.07060	0.4
67.01838	0.2
68.99778	0.6
69.03403	0.3
69.07053	0.2
69.87177	0.6
70.06572	0.3
71.08607	0.3
78.04697	0.2
79.05487	0.5
81.07035	0.5
83.01333	0.9
87.04435	0.2
88.07608	0.5
91.05464	2.3
93.07032	1.7
95.04940	0.6
95.08635	0.2
98.23425	0.2
100.07643	0.3
103.05444	0.6
105.04482	0.3
105.07014	0.3
106.04159	0.5
106.08639	0.4
107.72364	0.2
109.06480	0.4
121.02845	0.5
121.06493	6.4
131.04915	2.4
133.06456	0.2
134.03624	1.3
147.04401	0.5
149.02325	0.4
149.05951	2.8
149.07027	0.4
159.04398	0.8
161.02383	0.3
161.05968	0.2
162.03096	11.8
163.03690	0.3
177.05463	2.3
190.02583	19.5
191.02902	0.4
196.46658	0.2
199.03854	0.4
203.03468	0.2
205.04932	100.0
206.05287	2.6
207.06430	0.7
219.06494	2.4
231.06352	0.4
238.87000	0.2
246.07642	0.8
267.71594	0.2
268.26245	0.6
270.27832	0.3
286.27444	0.5
287.05835	0.4
287.09048	1.8
287.12701	3.4
287.27719	0.2
288.28952	2.1
292.53296	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	287.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14262	0.2
55.81129	0.2
56.69827	0.2
65.18523	0.2
65.46835	0.2
67.01859	1.9
68.99467	0.2
68.99757	1.2
69.03423	0.3
69.45123	0.9
77.19537	0.2
79.05484	0.6
81.15409	0.2
89.03905	0.6
93.07022	0.3
95.08609	0.4
98.23392	0.4
107.04926	0.4
109.02828	0.3
117.03335	0.8
121.06491	0.4
129.01816	0.5
131.04852	0.3
135.04396	5.1
137.02324	1.0
137.03258	0.2
153.01804	11.8
155.34367	0.2
157.06406	0.3
161.02310	1.7
162.03090	0.8
171.02884	0.7
179.03395	0.7
185.05942	0.5
190.02565	1.0
199.03902	0.3
200.35851	0.2
205.04945	4.7
213.05281	0.5
217.04776	0.3
217.08545	0.3
219.06551	0.4
231.06441	0.4
241.04909	1.5
259.06146	0.4
269.04520	1.1
269.07089	0.3
287.05463	100.0
287.12424	34.0
288.05771	3.8
288.12808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
51.08150	0.1
51.71358	0.1
53.03925	0.2
55.01860	0.3
57.07064	0.3
67.01854	0.1
67.05486	0.2
68.99773	0.5
69.03404	0.3
69.07053	0.5
77.03916	0.1
78.04693	0.1
78.56072	0.1
79.05458	0.3
81.07057	0.5
83.00951	0.1
83.01341	1.6
88.00245	0.1
91.05476	1.5
93.07038	1.2
95.04964	0.4
95.08572	0.3
98.22649	0.4
103.05471	0.8
105.07033	0.4
105.17049	0.1
106.04165	0.5
107.04935	0.1
108.02071	0.1
109.06495	0.2
111.40573	0.1
112.75100	0.1
115.05453	0.2
115.35939	0.1
119.04907	0.3
121.02847	0.2
121.06494	5.9
124.91675	0.1
131.04919	3.0
133.06487	0.2
134.03603	1.5
135.04425	0.1
135.26228	0.1
143.04881	0.3
147.04391	0.6
149.02313	0.3
149.05974	3.0
149.10683	0.1
155.08704	0.1
159.04408	0.8
161.02335	0.2
161.05861	0.2
162.03111	12.6
163.03549	0.3
163.07512	0.3
171.04372	0.3
174.04634	0.1
177.05450	2.5
188.04665	0.2
189.05397	0.2
190.02596	19.6
191.02924	0.6
191.06985	0.3
193.04889	0.3
194.47301	0.1
199.03865	1.0
203.03374	0.2
203.07016	0.1
204.04018	0.2
205.04950	100.0
206.05302	2.7
207.06577	0.9
213.05412	0.3
219.06516	5.0
231.06487	0.9
233.08032	0.2
239.03957	0.2
245.08098	0.4
246.07634	0.8
266.93225	0.1
286.31024	1.3
287.12744	8.2
287.31281	0.7
288.13123	0.4
290.02542	0.3
305.05084	0.1
306.21173	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1275
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
51.02349	0.7
52.97465	0.5
53.03922	1.1
55.01846	1.5
55.05492	1.2
60.88904	0.6
65.03911	1.6
67.05495	3.9
68.99770	1.9
69.03401	1.6
69.07050	1.1
69.56944	1.6
69.57342	0.9
77.03934	0.8
78.11568	0.8
78.76920	0.7
79.05489	5.5
81.03371	0.7
81.07049	5.9
83.04980	1.2
86.09698	1.0
91.05463	10.9
92.53581	0.6
92.69131	0.7
93.06995	2.9
94.04156	2.1
95.04964	5.9
95.08575	2.5
97.02833	1.0
103.05456	8.7
105.03400	1.5
105.07016	11.9
107.04918	5.6
107.08540	2.9
107.09171	0.6
109.02879	0.9
109.06486	7.5
109.10144	1.2
111.00777	1.4
111.04420	4.5
115.05418	2.8
117.06967	2.4
119.04893	2.9
119.05943	0.8
119.08546	2.5
121.02847	7.6
121.06480	18.0
121.10083	1.5
122.03609	2.7
123.04400	1.4
123.08007	1.8
123.11665	1.2
124.05157	1.0
125.05947	1.4
129.06963	1.1
131.04910	8.2
131.08546	1.4
133.02783	2.1
133.06445	2.6
133.10065	1.6
134.03592	2.2
135.04321	1.6
135.08028	20.7
136.08368	0.8
137.02293	1.9
137.05956	40.3
137.09508	1.0
138.06433	0.7
139.07504	0.8
141.06972	2.5
143.04878	1.8
143.08492	0.8
145.06468	4.1
145.10048	1.0
147.04379	5.5
147.11566	1.0
148.05147	3.0
149.05952	29.5
149.13232	0.8
150.06572	0.9
151.07516	24.3
152.06180	22.3
153.01813	9.7
153.06889	1.2
154.07719	0.9
155.08495	1.2
156.09314	1.2
157.06433	2.1
157.10109	1.0
159.04410	0.8
159.11681	1.1
160.05243	1.0
161.05954	3.0
161.13252	0.8
162.05443	0.8
162.06712	2.3
163.03838	3.0
163.07516	40.8
164.08194	1.3
165.01770	2.9
165.06960	14.5
165.09061	5.9
166.07747	15.5
167.08536	74.2
168.08862	2.3
169.06473	5.9
171.04402	0.8
171.08014	0.7
173.13248	0.9
174.06697	1.7
175.07446	2.5
176.06187	1.5
177.05486	1.4
177.06952	8.8
177.08974	4.1
178.07707	1.5
179.08537	1.7
181.06404	4.4
181.10081	3.6
182.07170	0.9
183.02995	1.6
183.08035	4.4
184.08813	5.7
185.05948	1.9
185.09544	1.0
187.07521	1.8
189.09053	1.2
191.08507	0.9
194.07239	10.7
195.08017	91.0
196.08597	6.6
197.05933	18.4
197.09447	0.9
198.06447	1.3
199.11133	1.9
201.16376	0.8
205.06415	2.8
209.09575	11.3
211.07484	5.9
212.08296	17.7
213.00868	0.6
213.05467	3.2
213.08891	1.6
221.05939	1.1
222.06729	1.3
223.07506	31.1
224.08130	2.9
225.05487	2.7
227.10626	100.0
228.10944	3.0
229.08195	0.7
231.06403	0.8
237.09068	6.6
238.09827	0.8
239.06917	1.5
240.07790	7.1
241.05006	1.5
241.08629	0.9
241.12181	2.9
254.09241	0.8
255.10115	75.2
256.10617	4.3
257.08002	1.0
258.05203	1.1
259.05887	0.8
259.13251	2.5
269.11496	3.4
269.22543	1.0
272.10385	2.9
287.05463	86.2
287.12689	47.9
287.19815	1.1
287.23596	2.7
288.05817	3.3
288.13132	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07480	0.2
67.73057	0.3
68.99778	0.8
69.03414	0.5
69.63810	1.0
69.64149	0.3
77.03948	0.3
78.04694	0.3
79.05460	0.4
81.07065	0.4
83.01344	1.7
91.05482	1.9
93.07043	1.4
95.04967	0.5
95.08594	0.3
98.22717	0.4
103.05457	0.9
106.04140	0.5
109.06516	0.3
116.56683	0.2
119.04918	0.6
121.06498	6.4
131.04939	2.2
134.03651	1.3
147.04384	0.7
149.02328	0.3
149.05978	2.7
159.04376	0.5
161.02138	0.3
162.03110	13.5
163.03471	0.3
163.07486	0.3
171.04295	0.3
177.05515	2.4
190.02596	19.4
191.03024	0.5
193.05034	0.4
199.03845	0.4
205.04948	100.0
206.05269	3.6
207.06555	1.2
219.06494	3.6
231.06418	0.7
239.92949	0.3
246.07651	0.4
248.06120	0.2
287.12704	3.8
288.28998	1.0
301.89987	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	287.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.1
53.03930	0.2
54.49427	0.1
55.01848	0.2
57.07038	0.1
57.54609	0.1
64.06950	0.1
65.03917	0.2
67.01847	0.2
67.05475	0.2
68.99786	0.7
69.03411	0.3
69.07054	0.2
70.06566	0.2
77.03914	0.2
78.04716	0.2
79.05463	0.3
81.07037	0.4
83.01343	1.4
88.07594	0.2
91.05479	1.7
93.06520	0.1
93.07047	1.7
95.01325	0.1
95.04961	0.6
95.08606	0.1
95.27717	0.1
100.07597	0.2
103.05476	0.9
105.04538	0.2
105.07009	0.3
106.04140	0.6
106.08668	0.3
106.40547	0.1
107.04913	0.3
108.02025	0.1
109.06496	0.4
109.77642	0.1
115.05462	0.2
119.04931	0.6
121.02856	0.3
121.06498	6.4
122.06800	0.2
131.04927	2.3
133.02901	0.1
134.03619	1.7
143.04951	0.1
147.04401	0.6
149.02319	0.4
149.04831	0.2
149.05971	2.8
159.04387	0.5
159.05568	0.2
161.02310	0.3
162.03111	13.5
163.03557	0.3
163.07588	0.1
171.04413	0.2
177.05463	2.4
177.06958	0.2
190.02599	20.0
191.02954	0.6
193.04919	0.2
199.03882	0.4
205.04950	100.0
206.05289	3.2
207.06615	0.5
211.00345	0.1
213.05304	0.1
219.06509	2.5
231.06476	0.4
233.07866	0.1
246.07626	0.5
268.26437	0.1
269.26703	0.3
287.05872	0.2
287.09122	1.6
287.12759	2.5
287.15906	0.2
288.13095	0.2
288.28934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
57.07077	2.0
58.06571	0.4
60.05947	0.3
62.06076	1.0
64.70774	0.2
67.05479	0.3
68.99767	0.4
71.08621	1.1
72.99978	0.3
78.04739	0.3
79.05473	0.3
81.07032	0.7
83.01321	1.2
83.93127	0.2
87.04504	0.3
88.07597	0.7
91.05462	1.9
93.07029	1.8
95.04965	0.6
95.08598	0.4
103.05441	0.8
105.07005	0.5
106.04178	0.3
107.04974	0.3
117.76020	0.3
119.04904	0.4
121.02877	0.3
121.06490	6.0
130.31667	0.3
131.04939	2.2
134.03618	1.6
147.04382	0.9
149.02313	0.4
149.05957	2.4
156.17542	0.2
159.04364	0.5
162.03102	13.5
174.18503	0.6
177.05411	2.5
190.02589	18.3
191.02827	0.4
199.03894	0.4
205.04936	100.0
206.05305	3.3
207.06595	0.7
212.23692	0.7
219.06496	3.6
230.24738	2.9
231.06450	0.5
231.25026	1.2
246.07672	0.6
286.31021	7.7
287.05515	0.6
287.12781	4.2
287.28217	0.4
287.31332	6.6
288.28998	2.2
305.45102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03432	1.2
57.07080	4.5
59.92755	1.1
60.05637	1.3
63.00011	0.9
64.47015	0.9
67.05502	1.3
68.84007	0.8
68.99794	0.9
69.03419	1.4
70.06585	16.8
70.06960	0.7
71.04980	2.2
71.41422	1.0
72.08148	2.9
78.04697	1.2
79.05482	8.5
81.07046	2.1
82.08747	1.0
85.06537	3.2
89.29945	1.0
90.69914	0.9
91.05472	4.0
93.07035	1.4
94.63564	0.9
95.04961	4.2
95.06091	1.2
103.05459	9.2
105.04478	1.1
105.07019	7.0
107.04942	58.6
107.08522	1.3
109.06492	1.2
112.08730	4.3
114.09138	1.3
115.05450	3.9
115.08688	1.8
116.06295	1.1
116.07079	4.1
117.07026	1.5
120.05755	2.7
121.02856	2.2
121.06496	3.5
123.04386	4.5
124.05193	2.8
125.05974	1.0
131.04910	2.9
133.06474	2.1
135.08041	15.0
137.05951	5.3
145.07629	1.9
147.04459	1.8
149.05946	2.6
151.07486	1.8
152.04707	1.4
152.06145	1.4
153.01790	3.0
154.06250	2.9
158.09230	1.4
163.07529	39.6
164.08005	1.1
165.05484	1.4
165.06868	1.3
165.09116	1.2
167.07027	100.0
168.07523	2.1
175.11790	0.9
180.07779	2.9
181.06406	1.0
181.08630	2.1
184.13257	1.2
193.08614	3.8
195.08107	6.3
195.10124	33.4
211.07780	1.2
211.09694	4.2
212.08347	2.0
212.10201	1.0
213.11191	28.0
214.11621	1.2
223.07600	2.2
227.10658	7.0
228.12309	1.5
241.04974	1.1
255.10124	3.8
280.83408	1.0
287.05518	23.8
287.09247	1.7
287.12607	4.0
287.17087	18.8
288.05701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78810	0.6
51.12066	0.6
53.03945	1.1
55.01863	20.9
55.05504	10.3
57.03424	2.6
57.07067	0.8
65.03935	0.7
67.05495	15.4
68.99783	2.1
69.02463	0.7
69.03423	2.0
69.07059	3.7
71.04982	15.4
72.13525	0.6
75.04472	0.7
79.05482	10.7
81.03412	2.0
81.07041	11.5
83.04989	1.0
83.08600	3.3
85.06524	3.6
87.04455	7.7
91.05459	6.0
92.39755	0.7
93.07037	9.0
95.04958	1.6
95.08585	6.0
97.06516	100.0
97.10149	4.1
98.06852	2.0
105.07011	4.4
106.07413	0.7
107.04934	2.1
107.08575	6.6
109.02856	0.9
109.06491	0.9
109.10133	12.7
111.00790	1.9
111.08060	2.0
113.06015	0.8
115.05429	0.7
117.07008	3.9
119.08539	1.6
121.02855	7.6
121.03712	0.9
121.06512	1.1
121.10126	3.1
123.08092	0.7
123.11719	0.8
125.09617	3.3
128.06172	0.8
129.06966	1.4
130.06447	0.7
131.08539	4.1
133.10094	3.3
135.08041	2.5
135.11667	1.7
136.07556	2.1
137.02295	1.7
137.09584	0.8
143.08521	1.2
145.06465	0.6
145.10133	1.2
146.54338	0.6
147.04364	1.8
147.11685	1.0
147.48856	0.6
149.09575	0.7
149.13222	2.6
153.01797	9.2
157.06511	1.9
157.10121	0.8
159.11642	2.9
163.07455	0.8
164.07101	1.6
165.01836	2.8
167.08463	0.9
167.14256	0.8
173.13274	0.8
177.12701	3.1
183.02910	1.5
185.05885	0.8
189.11165	0.9
195.08054	1.2
195.13774	35.5
196.14172	1.1
197.05928	0.8
200.07025	3.6
213.05467	2.3
213.14803	8.2
213.16464	0.5
227.10646	0.7
228.06534	2.2
231.06395	0.8
241.04897	2.3
245.09129	1.6
258.05228	1.5
259.05966	0.9
269.17389	4.7
287.05441	93.7
287.18484	29.2
287.23627	1.8
288.05716	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	287.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01864	18.9
55.05503	15.5
57.03428	3.9
57.83230	0.4
59.04978	0.7
67.05492	14.4
68.99772	1.3
69.03062	0.4
69.03400	2.2
69.07054	4.0
69.19627	1.2
69.20037	1.9
71.04983	20.2
75.04484	0.9
79.05478	9.6
81.03416	1.7
81.07043	11.4
83.04960	1.4
83.08610	6.6
85.06537	3.6
87.04455	7.4
91.05462	5.4
93.07030	8.1
95.04948	1.8
95.08591	5.9
97.06515	100.0
97.10149	9.7
98.06824	1.4
98.10587	0.4
103.05394	0.7
105.07020	3.9
107.04951	1.9
107.08581	7.4
109.06500	2.1
109.10141	11.4
111.04434	0.8
111.08041	2.3
113.05933	0.5
117.07005	2.8
118.89348	0.4
119.08574	1.4
121.02832	3.3
121.06474	2.0
121.10143	1.6
123.08041	0.6
125.09624	5.4
129.07002	0.5
131.08542	3.3
133.10170	2.7
135.07990	3.4
135.11678	2.1
136.07555	0.5
137.02350	1.0
137.05978	1.6
137.09581	1.1
141.57143	0.5
145.10127	0.5
147.04398	0.7
147.11560	0.6
149.05937	0.9
149.09673	0.5
149.13239	2.5
151.07539	1.8
152.06213	0.8
153.01793	4.7
157.06461	1.3
159.11671	3.3
163.07542	1.8
165.01819	1.5
165.09085	0.5
167.08545	3.3
177.06818	0.5
177.12720	4.4
183.02884	0.9
185.05904	0.5
187.14803	0.5
189.11197	1.4
195.08012	3.7
195.13770	35.2
196.14146	0.7
197.05911	0.8
202.05252	0.5
212.08350	0.6
213.05432	1.8
213.14812	14.4
223.07570	1.1
226.51117	0.6
227.10562	3.4
231.06587	0.5
232.91434	0.5
241.04979	1.0
255.10184	2.3
258.05240	1.0
269.17398	8.1
287.05460	38.2
287.12955	1.9
287.18484	22.5
287.23703	1.1
288.05847	1.9
288.18744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01852	1.1
56.96556	8.9
57.03421	1.8
57.52160	0.6
58.99853	1.5
63.78781	0.6
64.95007	0.7
69.03418	4.6
70.99840	1.1
71.04979	1.6
73.02888	1.0
77.00889	1.5
78.52628	0.7
81.03415	3.6
81.04521	1.3
82.06539	0.9
82.48112	0.6
82.99854	2.9
83.96720	0.7
84.08131	3.5
85.02904	3.6
89.00883	1.1
97.02876	4.0
98.97576	1.0
99.04446	4.2
101.00870	27.3
102.00963	0.9
105.00446	0.9
109.02887	4.3
111.04425	1.0
113.00830	0.6
115.02416	16.9
115.03770	0.7
117.03963	1.2
119.01904	100.0
120.01988	3.1
126.98753	1.0
127.03905	20.4
127.04877	1.6
128.98586	1.3
129.02238	1.5
129.03946	5.9
131.01892	8.0
131.05548	1.1
133.02466	1.6
133.03452	25.1
133.52029	0.8
135.05009	1.9
137.02936	21.0
137.04552	0.9
138.02998	0.8
142.03448	1.5
143.01872	13.6
143.02963	1.0
144.99797	2.1
145.03439	3.2
146.99611	2.2
147.01408	1.8
147.03270	2.7
147.05009	6.8
149.02962	1.3
151.04510	4.7
154.16840	0.7
155.00139	1.2
155.01952	0.7
157.03416	2.5
159.01414	1.2
161.02934	53.6
162.03145	1.5
163.81279	0.7
165.00716	1.5
165.04239	0.9
168.99802	8.3
171.01346	5.6
172.99625	1.1
173.01224	8.1
173.02940	9.0
174.54605	0.7
175.00876	1.8
175.04538	3.3
175.11874	1.2
177.02515	0.8
178.02556	0.7
179.03987	1.9
184.04616	1.6
185.02893	2.8
187.00865	23.4
188.00981	1.0
189.00746	1.3
189.02417	14.2
191.02248	14.4
191.03992	11.4
193.01974	0.9
196.99268	6.5
197.02991	1.4
198.54698	0.8
199.00804	7.7
199.04549	1.3
200.04466	1.2
201.02493	2.5
203.04033	1.4
205.01920	8.6
207.03494	3.0
207.55188	1.0
208.99670	2.3
209.03177	1.1
209.05040	1.1
215.00345	31.9
216.00647	1.1
217.01910	16.7
217.05550	2.0
219.01746	0.9
219.03514	5.6
221.05066	0.8
227.03903	1.0
229.01872	6.9
231.03455	2.1
233.01414	4.4
235.02991	1.3
238.01840	0.8
245.05023	0.9
246.53465	0.7
247.02953	25.5
248.03221	1.5
251.02512	1.0
265.03970	7.9
271.01172	1.2
277.04041	1.1
288.20166	0.7
289.04291	3.4
289.17545	0.7
307.05115	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	289.0704
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.08458	0.8
53.09079	0.8
53.79963	1.0
65.03916	3.0
66.92465	0.9
67.01858	0.9
67.05506	0.8
68.99776	5.8
70.22629	1.4
74.05266	0.9
77.03931	1.0
81.03389	1.2
91.05466	5.2
93.03362	1.1
93.07043	1.2
95.04960	1.4
107.04939	21.0
111.00790	1.2
111.04430	3.1
117.06957	1.1
119.04923	2.6
121.02853	8.6
123.04414	16.5
127.03911	6.8
131.04913	2.8
131.08562	1.4
135.04419	12.2
138.98514	1.0
139.03886	8.7
141.07004	4.3
145.02757	1.2
145.06406	1.7
147.04369	2.4
147.08014	1.6
149.02324	71.5
150.02554	1.5
151.03880	3.5
152.06105	0.8
153.01797	18.3
157.06470	1.4
159.04401	3.0
159.08041	1.9
163.03873	7.1
167.03319	1.3
169.06459	7.5
171.02841	2.3
173.05930	1.2
181.06473	1.8
187.03931	2.9
187.07553	2.7
193.46475	0.9
197.05968	10.3
200.04822	1.0
205.04927	1.0
211.00516	2.1
215.07004	78.1
216.07332	3.4
225.05457	2.6
243.06497	100.0
244.06807	3.9
253.04857	1.9
257.01138	1.3
259.05927	1.1
271.05975	39.3
271.08951	1.9
272.06409	2.3
287.60361	1.0
289.07007	3.5
289.10489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02380	1.0
53.89506	0.4
54.68064	0.5
55.01859	2.8
55.33404	0.5
64.66341	0.5
65.03924	2.2
67.01849	0.7
67.05496	3.7
68.99785	4.8
69.70590	1.3
71.94343	0.5
77.03919	2.2
77.74406	0.6
77.83738	0.5
79.05472	1.0
81.03403	0.9
83.01315	1.3
83.04964	1.2
85.02913	0.9
89.03914	2.7
91.05462	1.5
93.03396	2.3
95.04951	6.9
103.05446	1.8
105.03371	2.2
105.04505	0.8
105.06973	0.8
107.04940	2.6
111.00805	2.6
111.04420	5.4
114.55945	0.5
115.05430	0.8
116.59943	0.5
117.03353	3.8
119.04929	1.1
121.02852	1.3
122.54950	0.6
123.04409	100.0
124.04751	1.6
127.03883	8.7
129.07033	0.6
131.04903	3.5
133.02803	0.8
133.06502	1.0
135.04393	18.7
137.02376	0.8
139.03877	40.2
140.04150	0.7
141.06949	0.9
145.02809	3.9
149.02351	1.7
149.05971	2.7
151.03876	10.1
153.06847	0.6
157.06438	1.0
159.04379	9.0
160.18538	0.5
161.05936	1.9
163.03880	29.6
164.04192	0.6
169.06438	1.4
171.04408	0.6
173.05974	2.0
175.07448	0.7
177.05443	2.7
183.04326	1.1
185.05966	1.9
187.03838	5.8
197.05995	2.9
199.03874	1.0
200.04671	0.6
201.05450	1.6
203.06972	1.0
205.04951	3.9
215.07074	1.5
217.04852	1.4
225.05450	1.1
229.05042	1.0
231.06531	1.6
241.04948	0.5
243.06386	2.9
245.04433	3.2
253.04980	0.8
259.06155	0.7
261.07474	1.2
271.05954	2.9
289.07031	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0702
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
50.80302	0.5
52.81556	0.5
52.97984	0.4
53.03934	0.7
55.01854	1.1
65.03921	3.1
65.12431	0.4
66.12143	0.5
67.05487	0.7
68.99776	4.3
69.86900	1.1
69.87260	0.9
77.03889	0.8
79.05466	1.4
81.03419	2.7
84.61652	0.5
89.03903	2.2
91.05428	0.5
91.37720	0.5
93.03387	3.4
95.04951	1.6
99.04434	1.3
103.05440	1.5
107.04944	4.5
109.02854	3.8
111.00776	1.7
111.04427	8.0
117.03357	1.9
119.66980	0.5
123.04408	27.3
124.04723	0.7
127.03890	100.0
128.04213	1.6
129.07002	0.5
131.04875	4.7
135.04388	67.3
136.04742	1.9
137.02304	0.8
139.03876	15.3
139.04959	0.9
141.06963	1.6
143.04860	1.4
145.06532	0.6
145.73384	0.5
147.04401	0.7
149.02318	2.1
149.05928	3.1
151.03876	5.7
155.04858	1.0
157.06468	1.0
159.04402	5.1
161.05933	3.2
163.03874	41.2
164.04279	0.8
167.03340	1.0
169.06453	2.0
173.05963	2.8
175.07462	0.8
177.05467	3.7
179.03378	1.1
183.04378	1.4
185.06009	1.1
187.03798	6.2
187.07527	0.9
192.25206	0.5
197.05867	4.5
201.05428	3.5
203.06973	1.6
205.04941	3.1
215.06944	3.3
225.05382	2.1
229.04935	2.1
231.06447	1.4
241.04881	0.9
243.06499	5.8
247.05937	1.4
253.04993	0.8
259.05991	1.9
261.07504	1.9
271.05954	14.3
271.08896	0.7
289.07010	16.9
289.12405	1.1
290.07309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
50.01560	0.5
51.02370	1.0
53.03918	0.5
55.01866	2.5
65.03934	2.4
67.05492	4.0
68.99786	4.0
70.52381	1.0
77.03911	1.7
79.05485	1.0
81.03377	0.5
83.01335	1.7
83.04980	0.8
84.93678	0.4
88.05482	0.4
89.03931	2.0
91.05462	1.9
93.03391	1.7
95.04954	9.2
103.05473	1.6
105.03391	2.8
105.04488	0.9
105.07000	1.0
106.42702	0.5
107.04956	2.1
107.05575	0.4
110.05323	0.4
111.00811	2.7
111.04446	3.0
115.05471	1.3
117.03374	3.5
117.06960	0.5
119.04918	1.6
121.02841	0.8
123.04410	100.0
124.04752	1.9
124.59074	0.4
127.03883	1.3
128.06250	0.5
129.01855	0.7
129.06990	0.5
131.04890	3.8
133.02783	0.4
133.06458	1.1
135.03435	0.8
135.04388	7.6
137.02295	0.5
139.03877	39.9
140.04289	0.5
141.06999	1.3
145.02814	4.0
149.02290	0.5
149.05968	2.6
151.02684	0.5
151.03882	8.6
155.04938	0.4
157.06491	1.0
159.04398	9.3
161.05951	1.6
163.03877	25.9
164.04213	0.8
167.03419	0.5
169.06482	1.3
173.05995	1.5
177.05394	2.7
181.06488	0.6
183.04430	1.2
185.05956	1.8
185.07561	0.4
187.03839	5.7
197.05942	2.9
199.03998	0.6
201.05418	1.7
202.41835	0.4
205.04985	4.1
215.06929	0.5
217.04816	0.6
217.08597	0.5
225.05460	2.1
229.04851	1.0
243.06454	2.2
245.04405	3.7
253.04922	0.8
271.05978	1.5
289.07028	11.4
290.07346	0.7
305.46246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1067
Annotation	Shikonin
Peak:m/z	Relative Intensity
55.01845	0.7
55.05487	0.5
55.59645	0.2
56.06051	0.3
56.83859	0.2
57.07071	1.7
58.06580	0.4
67.05476	0.4
70.06577	3.3
70.08065	0.8
71.08604	0.4
77.03927	0.3
79.01842	0.7
79.05479	2.1
80.74195	0.3
81.07051	2.8
83.01337	1.9
85.10126	0.3
88.07131	0.4
88.07623	4.8
89.03896	0.4
91.05451	0.5
93.07005	0.9
95.04912	1.1
97.06490	0.3
102.09160	3.0
107.04945	4.9
111.08054	0.8
121.06454	0.3
123.04403	0.4
131.04901	0.3
133.10019	0.3
133.87262	0.3
135.04399	12.0
137.02325	0.7
147.04323	0.3
157.02844	0.3
162.03084	0.3
163.03879	15.3
175.03912	0.3
177.05391	0.3
179.03362	0.8
184.20660	0.4
185.02345	0.5
190.02538	0.3
191.03360	100.0
191.21434	0.3
192.03685	3.0
205.04906	4.2
208.15044	0.3
215.03375	0.3
217.04886	0.6
222.28925	0.3
228.23177	9.5
232.05885	0.4
245.07921	0.4
271.09598	13.4
272.09848	0.7
272.25897	0.3
289.10687	8.9
289.13852	0.6
289.17776	0.4
290.26852	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	289.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56231	0.2
55.01855	0.5
55.05500	0.4
58.39187	0.2
61.05705	0.3
62.56960	0.3
67.05495	0.6
68.99784	0.5
69.03413	0.5
69.07053	0.6
69.19552	1.2
71.04974	0.4
79.05502	0.4
81.07030	0.6
83.01357	1.3
87.85614	0.2
91.05468	1.7
93.07039	2.1
95.04932	0.6
95.08594	0.7
98.23219	1.2
102.09156	0.3
103.05438	0.6
105.06990	1.0
107.04935	0.4
109.06474	0.7
109.92298	0.2
111.04362	0.3
117.06963	0.5
119.04926	0.4
121.02844	0.4
121.06492	6.0
121.10132	0.3
129.06992	0.6
131.04919	2.2
131.08522	0.4
133.02870	0.7
133.06427	0.4
134.03632	1.4
135.04384	0.6
137.05971	0.3
145.10191	0.3
147.04378	0.7
147.08067	0.4
149.02332	0.4
149.05940	3.1
155.08476	0.3
157.06436	0.5
158.49245	0.3
159.04402	0.7
161.05864	0.4
162.03104	10.9
163.03848	1.0
163.07581	0.3
175.07565	0.4
177.05472	2.8
178.02621	0.4
185.05875	0.5
186.38898	0.3
189.05440	1.2
189.09097	0.3
190.02586	18.3
191.03252	2.0
193.04871	1.6
205.04935	100.0
206.05264	3.6
207.05498	0.7
213.05420	2.5
219.06500	2.9
221.04358	1.0
226.21652	0.4
230.05650	0.3
237.59749	0.2
243.06512	0.3
243.13878	0.3
245.08070	8.2
246.07864	0.4
247.09569	1.2
259.09634	0.5
261.11215	2.7
271.09613	0.7
288.25284	0.6
289.10635	3.8
289.14175	0.9
289.17905	0.8
289.25476	0.3
299.75372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44138	0.2
67.01875	0.2
68.99760	0.4
69.03403	0.4
70.06598	0.2
70.14897	0.6
80.75962	0.2
83.01318	1.1
91.05462	1.2
93.07043	1.2
95.04948	0.5
98.22752	0.3
101.49776	0.2
103.05457	0.5
105.07027	0.3
106.04173	0.3
119.04904	0.3
121.02910	0.2
121.06487	5.5
129.07024	0.3
131.04897	2.1
132.10196	0.3
133.02838	0.3
134.03629	1.3
147.04414	0.5
149.02290	0.4
149.05945	2.2
150.06291	0.3
157.06396	0.3
159.04407	0.6
162.03101	10.9
177.05431	2.8
185.05946	0.5
189.05420	1.0
190.02582	17.6
193.04890	1.0
199.03964	0.4
205.04935	100.0
206.05284	3.3
213.05464	2.0
215.03261	0.3
217.08540	0.5
219.06447	2.4
221.04440	1.0
230.05658	0.6
245.08055	8.0
246.07986	0.3
259.09628	0.5
261.11209	2.2
271.09653	0.6
289.10648	2.8
290.26898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44138	0.2
67.01875	0.2
68.99760	0.4
69.03403	0.4
70.06598	0.2
70.14897	0.6
80.75962	0.2
83.01318	1.1
91.05462	1.2
93.07043	1.2
95.04948	0.5
98.22752	0.3
101.49776	0.2
103.05457	0.5
105.07027	0.3
106.04173	0.3
119.04904	0.3
121.02910	0.2
121.06487	5.5
129.07024	0.3
131.04897	2.1
132.10196	0.3
133.02838	0.3
134.03629	1.3
147.04414	0.5
149.02290	0.4
149.05945	2.2
150.06291	0.3
157.06396	0.3
159.04407	0.6
162.03101	10.9
177.05431	2.8
185.05946	0.5
189.05420	1.0
190.02582	17.6
193.04890	1.0
199.03964	0.4
205.04935	100.0
206.05284	3.3
213.05464	2.0
215.03261	0.3
217.08540	0.5
219.06447	2.4
221.04440	1.0
230.05658	0.6
245.08055	8.0
246.07986	0.3
259.09628	0.5
261.11209	2.2
271.09653	0.6
289.10648	2.8
290.26898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
56.96557	1.2
70.06583	1.5
71.44258	0.6
72.08152	0.7
74.06055	0.5
81.03405	0.8
84.08141	1.6
85.02869	1.5
86.09681	0.9
92.90242	0.5
97.02865	0.8
98.97569	1.0
98.98436	0.7
104.75037	0.5
112.08700	0.7
121.01634	1.2
124.70130	0.6
127.03902	28.9
132.08037	1.0
139.02654	0.5
151.13557	0.5
181.06348	0.7
199.07509	1.4
201.05502	1.1
227.06989	11.2
243.06496	1.4
244.07239	1.6
265.94092	0.7
271.07626	1.4
289.06967	5.7
289.09177	3.5
289.12509	100.0
290.12857	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	289.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11493	0.9
62.98254	73.4
69.07056	0.9
69.33407	3.6
73.43768	0.7
91.05476	1.2
95.08602	1.7
104.99290	5.5
105.07023	1.3
119.08540	0.9
120.89063	0.8
281.89890	0.8
288.28824	1.2
289.17484	100.0
290.17752	2.5
290.26953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.5
57.07067	100.0
67.05488	8.0
67.54836	2.6
68.20415	2.5
69.07037	5.2
72.04511	20.7
75.17714	2.3
79.05474	10.2
81.07044	11.4
83.08622	4.1
85.06491	2.7
90.92075	2.4
91.05483	18.3
91.73762	2.9
93.07030	9.3
95.08601	8.4
100.07597	45.9
105.07006	28.7
107.08572	5.2
109.10133	3.9
116.05307	3.6
117.07030	7.2
119.08558	23.9
120.02301	2.5
121.10126	2.4
127.66273	2.9
131.08562	7.2
133.10112	17.6
133.41411	2.9
145.10109	9.2
147.11650	11.1
156.13808	69.4
157.10162	4.8
159.11703	9.7
161.13243	3.5
173.13281	2.9
239.17780	3.5
257.18924	4.7
289.18408	5.8
289.21545	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	289.2159
Annotation	Pipataline
Peak:m/z	Relative Intensity
51.43150	1.2
53.03951	1.5
54.89751	1.0
55.05504	15.3
59.05001	2.6
65.03957	1.6
67.05499	20.1
69.07065	13.5
69.70977	4.4
73.06551	1.3
79.05485	16.3
79.92189	1.2
81.07053	24.3
83.08608	6.2
85.06523	4.1
87.08043	1.4
91.05470	41.3
93.07024	16.5
95.04974	3.7
95.08594	18.6
96.46801	1.4
97.06538	2.6
97.10150	1.7
103.05470	2.5
105.07019	64.0
105.07734	3.1
107.08570	13.0
109.10158	6.8
117.07003	15.0
119.08567	52.3
120.08884	1.5
121.10123	7.0
123.11683	2.4
129.07021	3.0
131.08563	16.1
133.09172	2.3
133.10115	33.0
135.08081	2.0
135.11644	3.0
141.06952	1.2
143.08559	3.2
145.10109	19.2
147.11662	29.5
155.08481	2.1
157.10118	5.0
159.11671	16.3
161.13251	10.8
169.10130	4.2
171.11697	3.0
173.09509	1.5
173.13243	12.0
175.11246	1.4
175.14862	3.0
178.76173	1.2
183.11700	3.5
185.13292	1.9
187.11313	1.3
197.13217	2.9
199.51985	1.2
211.14845	3.0
215.14511	1.6
215.17946	2.4
229.19615	2.0
239.17908	8.0
257.18924	11.7
289.21594	100.0
289.25098	4.0
290.08249	2.9
290.21906	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	15.3
56.96563	11.9
62.59485	1.8
65.03909	2.3
69.03418	3.1
70.06566	2.5
71.04974	4.0
72.08162	2.4
73.02904	2.7
79.05488	6.1
79.67843	1.8
81.03414	10.0
83.01364	2.5
85.02890	9.0
86.09707	6.3
91.05452	9.2
93.03407	8.1
95.01324	10.1
95.04962	5.1
97.02894	3.8
98.97585	14.3
99.04446	18.0
101.00872	2.3
101.02368	3.9
107.04967	5.7
109.02870	4.9
109.06520	4.7
111.04418	2.2
116.98614	8.4
119.01900	2.8
119.04901	9.1
119.43315	2.3
120.01987	4.1
121.02834	12.9
123.04454	4.4
127.03893	2.3
130.09685	1.8
131.01784	2.2
131.03636	1.9
133.03430	2.3
135.04393	8.9
137.02316	5.0
137.05966	10.8
139.03868	3.9
143.01912	3.5
147.04390	16.6
149.02303	29.5
149.03401	2.7
151.03893	12.1
153.05428	5.3
159.61613	1.8
161.01260	2.6
161.02899	3.4
163.03874	14.0
165.05466	29.8
167.03444	4.5
171.05077	2.3
173.01193	3.3
174.01588	2.0
175.03830	12.8
177.01834	13.7
179.03381	7.1
181.04922	3.8
191.03456	31.4
193.05042	3.9
195.02919	4.7
199.04427	4.1
209.04434	23.9
211.06029	20.3
213.03986	6.2
217.05765	2.3
219.02901	13.1
221.01649	2.2
227.05431	6.9
237.03909	100.0
238.04254	2.7
255.04974	97.5
273.05945	20.7
290.08771	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15743	5.8
55.01861	12.0
56.96562	57.9
59.04995	33.4
66.18407	5.3
66.28706	5.1
67.11071	5.8
69.03419	64.4
69.07068	10.4
70.06570	8.2
70.98119	6.5
71.40776	5.2
81.03372	8.1
83.04980	10.6
84.08129	9.9
84.96051	5.8
85.02913	18.6
86.09690	46.0
86.10056	4.5
87.04433	5.5
97.02903	33.2
98.90273	5.6
98.97585	57.2
98.98219	6.2
98.98485	8.0
99.04495	11.1
111.04440	16.8
115.03930	87.5
116.98616	53.6
120.55994	5.6
121.06499	7.6
124.99150	9.9
127.03916	21.5
128.44203	6.6
129.05470	100.0
134.99628	33.6
137.06000	7.2
139.03859	9.5
140.82710	5.2
143.00163	23.7
147.06561	21.3
153.05505	8.0
157.06343	8.1
161.01189	27.8
170.99707	6.5
171.06529	19.9
173.12869	13.2
177.00742	5.8
179.02240	10.2
187.14493	8.0
188.21170	5.4
189.00691	10.6
213.00746	10.6
231.01999	7.8
249.02867	8.9
290.13098	6.2
290.94699	28.6
291.00504	5.4
291.03824	12.0
291.13293	12.3
292.11731	19.4
308.95987	6.5
309.04807	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	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65593	5.8
56.96560	96.9
69.03439	14.0
69.35477	24.6
70.03782	5.8
70.06563	10.7
71.04994	10.3
84.04486	7.1
84.08169	9.6
84.96021	14.4
85.02892	10.9
87.94228	8.8
90.72444	6.8
95.04977	7.9
97.02911	13.5
98.97565	100.0
99.04427	24.8
103.00677	7.4
110.97581	14.9
116.98596	62.8
119.01902	25.9
121.01651	11.0
124.99128	15.6
128.98666	12.4
131.01857	7.7
134.99663	23.6
143.00188	20.1
143.01891	6.4
146.99611	13.1
147.03233	8.6
157.06450	11.8
158.99739	8.3
159.98434	6.6
161.01218	37.1
161.02887	16.8
170.99744	8.2
173.01303	13.1
173.02902	8.2
177.00687	9.2
179.00845	13.7
179.05785	6.7
185.01224	7.5
189.00722	13.7
189.02383	10.0
191.02211	16.0
195.05084	10.4
201.04434	9.0
207.01656	9.9
221.01724	75.2
242.53696	8.7
245.01628	13.5
249.02782	10.8
250.53105	7.9
251.54439	9.5
254.54407	7.4
263.02872	19.2
278.50586	11.0
279.02261	11.8
290.94742	10.3
291.03455	21.8
291.08441	54.8
292.08600	9.4
292.11633	43.7
309.04141	25.9
309.08347	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	291.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03938	0.4
55.01867	1.7
65.03941	1.0
65.61197	0.4
66.93244	0.3
67.05499	1.1
68.99774	1.7
69.03435	0.3
70.74280	0.5
71.01370	0.3
77.03941	0.3
83.04976	1.0
85.02882	0.4
91.05476	1.5
93.03395	1.0
95.04961	2.8
97.02866	0.6
105.03377	0.7
107.04948	0.6
111.00787	0.4
111.04427	3.0
115.05478	0.8
119.04929	5.6
123.04417	64.7
124.04751	1.4
126.81701	0.3
127.03896	1.3
131.04926	0.4
133.06441	0.8
135.04407	0.6
137.02335	1.2
137.05997	1.0
139.03882	100.0
139.62234	0.3
140.04224	2.3
143.04910	2.8
147.04390	21.4
148.04689	0.7
149.05878	0.3
151.03894	2.6
151.07500	0.5
153.05429	0.4
159.04340	0.4
161.05962	7.4
163.03888	2.1
165.05460	14.7
166.05820	0.3
169.04910	1.9
170.80035	0.3
175.07358	0.4
177.05495	1.0
179.07027	2.8
181.04984	0.9
189.02756	0.3
189.05441	2.1
205.08588	0.4
207.06500	6.4
249.07552	1.8
273.07571	1.4
291.08609	5.3
292.08997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	Epicatechin
Peak:m/z	Relative Intensity
51.02372	0.3
53.59567	0.3
55.01867	2.0
65.03936	1.1
67.05496	1.9
68.99784	2.4
69.03442	0.3
71.22446	0.4
73.72066	0.3
77.03911	0.9
78.31143	0.3
82.48956	0.3
83.04980	1.4
83.64113	0.3
84.21400	0.3
85.02908	0.4
90.23315	0.3
90.99082	0.3
91.05454	2.2
91.66354	0.3
93.03410	1.4
95.04960	3.3
97.02865	0.6
99.04448	0.3
105.03419	0.6
105.07056	0.4
107.04951	1.0
111.00756	0.5
111.04424	3.8
115.05408	1.4
119.04067	0.4
119.04928	7.6
119.05805	0.4
123.04411	68.2
124.04723	1.4
127.03915	1.0
133.06451	1.5
135.04370	0.7
137.02350	0.8
137.06012	0.5
139.03877	100.0
140.04228	1.9
143.04886	3.1
147.04381	22.2
149.06146	0.3
151.03894	1.9
151.07521	0.4
153.05446	0.7
161.05952	8.5
163.03879	2.2
165.05450	15.8
169.04958	1.8
177.05449	1.0
179.07001	2.2
181.04922	1.1
189.05412	1.9
195.57845	0.3
203.06949	0.3
207.04663	0.4
207.06503	5.9
231.06538	0.6
249.07474	1.3
273.07486	1.5
291.08563	4.8
298.48193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.56752	0.3
55.01859	1.6
58.55677	0.3
63.35563	0.3
65.03937	0.7
67.05503	1.2
68.99767	1.6
69.07053	0.6
71.23623	0.4
77.03953	0.4
83.04975	1.3
85.02901	1.5
91.05466	1.6
93.03398	0.7
95.04961	2.8
97.02869	0.6
99.04450	0.4
105.03357	0.5
105.07018	0.4
107.04944	0.5
111.00775	0.5
111.04445	2.8
111.11708	0.5
115.05434	1.1
119.04935	6.2
123.04414	68.4
124.04744	1.5
127.03876	1.3
133.06438	1.2
133.98366	0.3
135.04387	0.8
137.02304	1.1
137.05940	0.7
139.03882	100.0
140.04239	2.1
143.04913	2.3
143.94295	0.4
147.04391	23.6
151.03903	2.8
151.07529	0.8
153.05411	0.9
156.76968	0.4
161.04694	0.5
161.05966	7.9
163.03879	1.8
165.05463	13.9
169.04941	1.9
177.05449	1.3
179.07021	3.8
181.04948	0.9
184.35448	0.3
189.05508	2.0
205.08566	0.4
207.04649	0.6
207.06487	8.0
230.71574	0.3
231.06261	0.4
249.07524	1.5
273.07455	1.5
291.08533	6.0
312.48676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0857
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02386	0.5
55.01869	1.7
60.74992	0.5
64.90878	0.5
65.03934	1.6
67.01866	0.5
67.05494	1.8
68.99776	1.7
70.84150	0.5
70.84537	0.6
76.05697	0.5
77.03890	0.5
83.04961	1.8
90.73714	0.4
91.05465	1.7
91.40368	0.4
93.03390	1.3
95.04957	3.4
103.31966	0.5
105.07040	0.5
111.04441	3.6
115.05442	1.4
119.04924	6.4
120.50690	0.5
123.04407	71.9
124.04746	2.1
127.03922	1.6
131.04906	0.5
133.06494	1.4
135.04305	0.5
137.02333	1.3
137.05939	1.0
138.42696	0.5
139.03874	100.0
140.04242	1.8
143.04869	3.2
147.04379	25.1
149.06003	0.7
151.03891	2.9
151.07503	0.6
153.05449	1.1
161.05939	8.2
163.03867	1.9
165.05446	15.3
166.05777	0.5
167.48045	0.6
169.04951	1.1
177.05368	1.0
179.07042	3.0
181.04866	1.1
189.05473	1.6
207.06485	7.2
247.77003	0.5
249.07619	0.8
268.76028	0.6
273.07358	1.0
291.08600	5.1
294.14838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	Epicatechin
Peak:m/z	Relative Intensity
55.01867	1.6
65.03932	1.2
67.05501	1.2
68.99795	2.0
69.37664	1.0
69.38052	0.7
77.03937	0.7
80.11395	0.3
83.04973	1.3
85.02899	0.5
86.12020	0.3
91.05473	1.4
93.03390	1.4
95.04960	3.2
97.02874	0.7
105.03371	0.8
105.07040	0.4
107.04975	0.7
110.42966	0.3
111.00873	0.4
111.04434	3.1
115.05451	1.1
117.07121	0.3
119.04929	5.6
121.02922	0.6
123.04415	69.0
124.04740	1.3
127.03908	1.4
132.23114	0.4
133.06462	1.1
135.04405	1.1
137.02286	0.9
137.05972	0.7
139.03882	100.0
140.04243	2.0
143.04898	3.0
147.04385	22.2
147.05574	0.7
148.04727	0.5
149.05972	0.3
151.03876	3.2
153.05452	0.8
161.04680	0.6
161.05963	8.2
163.03885	1.7
165.05463	14.3
166.05739	0.4
169.04895	1.3
171.04335	0.3
177.05412	0.8
179.07022	3.0
181.04851	0.6
189.05479	1.9
203.03403	0.3
203.06987	0.5
207.06503	5.5
208.06816	0.4
231.06343	0.4
249.07501	1.3
250.93164	0.3
273.07428	0.7
291.08560	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67344	1.1
66.78556	0.9
70.58501	1.7
87.00837	2.2
92.43835	1.0
115.05428	6.8
117.05763	1.2
118.06527	13.0
129.06938	1.2
130.06511	100.0
131.06848	1.6
132.08080	35.7
132.09077	2.0
133.08392	1.2
142.06502	12.8
143.07191	1.7
144.04556	1.0
144.08035	7.2
146.05994	20.3
150.80963	1.0
154.06494	1.5
156.08124	3.8
157.07607	6.2
158.06032	1.6
158.08344	4.0
159.09155	89.0
160.07567	6.7
160.09549	2.3
167.06081	2.0
169.07640	3.5
170.05995	31.9
171.06483	1.3
171.09229	1.0
172.07549	2.1
174.03983	1.4
181.07625	3.0
182.05959	1.1
183.09177	5.9
184.07549	17.3
185.07076	43.0
186.07570	1.0
187.08720	3.7
188.07045	39.9
189.07408	1.8
199.08762	1.8
200.07059	9.4
201.10185	11.6
205.09908	1.5
209.07120	1.1
227.08116	41.9
229.09727	2.2
231.07631	3.1
242.41388	1.0
245.09192	78.2
246.09534	1.5
255.07635	3.3
273.08673	9.4
291.09711	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0973
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
56.31398	0.9
57.22322	0.8
70.56355	1.2
73.82951	0.9
82.97781	0.8
88.03972	1.9
95.43954	1.0
96.37569	0.9
115.05410	6.1
117.05734	1.8
118.06528	13.0
123.04437	1.3
129.06993	1.9
130.06508	100.0
131.06834	2.3
132.08063	39.0
133.08455	1.2
142.06512	13.3
143.07249	1.6
144.08078	5.1
146.05988	19.7
146.12561	0.9
154.06493	1.6
156.02898	1.4
156.08115	4.5
157.07588	6.2
158.06012	2.3
158.08394	5.8
159.09149	86.8
160.07553	8.9
160.09477	2.0
167.05968	1.5
169.07587	3.3
170.05981	30.7
170.07385	2.0
172.07562	2.1
174.03973	1.2
181.07565	2.1
183.07608	1.2
183.09052	5.4
184.07547	13.8
185.07069	42.7
186.07375	1.7
187.08636	3.7
188.05336	2.1
188.07028	36.2
189.07236	1.0
199.08624	2.4
200.07033	9.0
201.10162	11.9
209.07124	1.9
227.08107	44.5
228.08479	1.9
229.09683	2.7
231.07585	2.3
245.09181	72.1
246.09473	2.6
255.07584	3.9
258.12238	1.1
273.08585	5.5
291.09698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1073
Annotation	Osmundalin
Peak:m/z	Relative Intensity
53.03941	2.8
53.93679	1.8
55.01864	8.7
55.05510	3.7
55.54383	1.9
56.96559	15.7
57.03414	3.7
59.04996	26.9
68.99754	1.9
69.03425	62.2
70.06590	2.3
71.00886	2.1
71.01336	2.9
73.16163	1.9
79.05475	3.4
81.03400	9.4
83.04990	5.8
84.08146	2.8
85.02888	13.3
85.06564	2.5
86.09698	5.1
87.04443	12.2
91.05463	3.0
95.04955	8.0
96.39264	1.7
97.02887	34.5
98.22706	4.5
98.97569	19.5
98.98216	2.3
98.98431	2.2
99.04451	7.6
101.06020	9.1
105.85294	2.0
107.04940	5.5
109.02875	4.7
111.04420	14.5
115.03918	92.7
116.98619	17.9
118.37675	1.8
121.06495	14.5
122.05983	2.1
123.04412	3.8
124.99117	1.8
127.03900	16.0
129.05466	100.0
134.99632	8.8
135.04375	4.3
139.03915	4.7
143.00146	4.0
147.06525	10.6
153.05534	2.5
161.01212	7.6
165.05441	2.3
167.07033	3.0
171.06544	16.0
189.00696	2.6
193.04956	4.6
205.00156	2.7
217.56952	2.4
220.89119	1.7
225.07588	3.9
249.02869	3.0
263.07056	2.8
290.94760	10.5
291.03842	2.4
291.13693	2.8
291.16980	11.2
292.11758	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	291.1223
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
55.01856	12.1
55.05483	3.6
57.03433	5.3
59.81997	3.1
67.05504	3.5
68.99747	3.0
69.03407	12.3
69.26271	13.9
71.04957	3.2
77.03894	3.6
79.05477	7.9
81.03404	40.1
81.07075	4.8
83.04931	4.7
85.02892	36.7
91.05460	9.2
93.07030	3.8
95.01288	4.2
95.04954	6.0
97.02888	16.0
98.23515	4.8
99.04459	4.0
103.05453	12.5
105.07003	9.8
107.04981	3.2
107.08617	3.6
108.05717	3.7
109.02847	9.0
111.04425	27.1
115.05427	20.0
116.98554	3.4
117.05751	3.2
117.07020	16.5
118.06525	7.4
119.04940	4.3
119.08537	4.3
121.06475	9.0
123.04411	19.1
128.06213	11.9
129.05507	4.3
129.07007	20.5
130.05537	3.0
130.06503	53.1
130.07411	4.3
131.04926	19.3
131.08548	5.2
132.05670	4.4
132.08046	21.7
133.06476	13.4
135.08022	5.7
137.05931	22.7
139.03893	28.1
139.05374	3.3
141.06985	20.9
142.06496	8.1
142.07724	4.5
143.04962	8.5
143.08540	10.1
144.05675	3.8
145.06447	21.9
146.05963	10.1
146.07010	2.9
147.04390	14.7
147.07947	3.6
149.05951	23.4
151.03960	4.0
151.07516	82.8
152.06178	9.3
153.06979	6.9
155.08469	3.3
156.05661	3.4
157.06430	19.6
157.07552	3.2
157.10043	4.6
158.07216	7.5
158.68944	2.7
159.04480	3.6
159.08006	7.9
159.09166	47.2
160.05209	14.3
161.05966	18.2
161.09554	5.5
163.07521	19.0
163.44148	2.8
164.08203	4.2
164.98553	3.5
165.05464	11.6
165.06961	9.6
165.09099	6.0
166.07742	4.4
167.04941	5.0
167.07129	5.3
167.08502	22.6
169.06442	17.7
170.05988	18.6
170.07239	3.7
171.04535	3.6
171.08009	19.1
173.05949	10.3
174.06721	17.0
175.07523	100.0
176.08128	4.3
177.05501	14.4
177.06915	5.5
177.09091	27.0
179.10651	7.2
181.06302	5.9
183.07961	3.6
184.05228	3.6
184.07542	11.2
185.05888	11.7
185.07314	20.8
185.09578	10.3
186.06734	8.5
187.07564	12.1
188.07030	24.8
188.08342	2.7
189.05330	3.7
189.09071	21.4
191.07025	8.6
191.10637	6.1
192.23492	3.0
193.08536	26.5
195.08014	28.9
195.10101	8.8
197.05989	11.2
198.06705	7.0
199.07491	9.5
200.06923	4.2
201.05420	9.6
201.08940	26.7
203.06970	11.8
203.10617	12.8
205.08597	9.9
209.07983	4.0
211.07561	6.0
213.05501	7.1
213.09061	13.9
214.06232	4.5
215.07104	6.7
217.08531	17.2
217.12212	3.7
219.10150	3.9
223.07541	10.3
227.08092	21.4
227.10635	10.9
229.08501	25.1
231.06506	3.8
231.10025	17.1
240.07867	6.8
241.08437	15.8
245.09027	32.9
245.11745	9.2
247.07411	3.7
247.09724	10.5
255.10179	9.2
259.09650	4.4
261.11331	4.0
273.08401	3.2
273.11145	39.3
273.14359	3.5
273.15350	3.4
273.18405	4.7
274.11304	4.2
291.09586	6.5
291.12299	95.4
291.19272	3.7
292.12549	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	291.1224
Annotation	5-O-Methylvisamminol
Peak:m/z	Relative Intensity
55.01854	0.3
57.07049	1.1
60.23420	0.3
64.62547	0.3
67.05475	0.5
67.86003	0.3
69.07045	0.3
70.06293	0.3
70.06583	2.7
70.47366	0.3
70.47697	0.5
71.06886	0.3
71.08618	0.6
79.05472	1.0
81.07035	0.5
88.07621	4.1
89.03922	0.3
89.07946	0.7
91.05456	0.9
92.02650	0.7
93.07031	0.3
95.04956	0.3
102.09161	1.8
103.05444	0.6
103.09533	0.3
105.07024	1.3
107.04935	0.4
107.08572	0.5
118.04110	0.8
119.08563	0.4
121.06483	0.9
131.04884	0.3
133.06482	1.0
146.03607	5.6
159.04398	0.4
160.05173	0.4
161.05948	4.8
164.42984	0.4
165.05461	0.6
189.05438	100.0
190.05780	2.9
195.28319	0.3
203.06920	0.6
205.04947	0.9
217.04933	90.5
218.05252	3.4
228.23221	4.6
229.23502	3.1
231.06418	0.4
235.05974	21.9
236.06219	0.5
258.07562	1.0
273.11179	21.9
273.26187	0.3
274.11517	1.0
290.26871	8.7
291.12228	21.0
291.24158	0.6
291.27200	7.4
292.12512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1223
Annotation	CHEBI:67489
Peak:m/z	Relative Intensity
55.94115	1.6
57.07066	8.2
59.54247	1.6
69.07057	2.4
69.77451	3.0
69.77807	3.2
70.06587	18.0
71.06914	1.7
71.48312	1.6
73.03762	1.6
88.07622	24.1
89.07946	4.0
90.20103	1.6
93.07023	1.7
100.91203	1.8
102.09190	15.2
103.09518	3.5
121.06482	5.1
134.03629	2.4
157.00414	1.5
162.03120	7.1
177.05504	2.8
179.80493	1.5
189.05440	4.2
190.02599	6.3
205.04936	100.0
216.04076	2.0
217.04955	8.8
223.06050	6.8
228.23212	32.1
229.23531	19.7
231.06476	2.9
272.25690	1.7
273.11227	6.5
273.18521	1.7
290.26849	61.4
291.12180	3.8
291.19342	2.3
291.27173	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1225
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
55.01864	9.6
57.03441	4.0
64.40574	2.5
66.59019	2.7
67.05493	2.8
69.03422	12.2
70.06602	3.4
79.05475	5.1
81.03409	46.9
81.03838	4.5
81.07015	3.0
83.04985	3.7
85.02905	43.1
86.70177	2.6
91.05481	14.2
92.16756	2.9
92.41050	2.2
93.07053	6.5
95.04953	3.4
97.02854	15.3
101.06033	3.6
103.05473	14.7
103.08477	2.5
105.07043	7.5
107.04941	7.9
109.02882	11.5
109.06597	3.3
111.04435	42.6
115.05450	14.1
115.61765	2.8
117.07005	17.1
118.42998	2.7
119.08576	8.0
120.35300	2.7
121.06513	4.6
128.06190	21.1
129.07002	30.1
131.04906	23.5
131.08557	5.1
132.05725	5.0
133.06485	8.8
135.08003	3.1
137.05971	20.7
139.05420	3.0
141.06987	25.0
142.07849	5.4
143.04915	7.0
143.08578	12.1
144.05666	6.1
145.06502	29.1
147.04391	6.1
147.08089	5.4
148.05215	2.9
149.05965	26.5
149.09581	2.8
151.07532	93.6
152.06210	12.2
153.06953	9.7
155.04794	4.4
155.05949	3.0
155.08575	5.9
156.05672	3.2
157.06491	22.8
157.10095	6.2
158.07224	6.4
159.04366	2.9
159.08058	10.8
160.05174	17.5
161.05933	20.1
161.09593	4.8
162.06743	3.3
163.07529	17.6
165.05475	8.6
165.06998	7.8
165.09169	8.7
166.07809	2.8
167.08571	20.2
168.05627	2.5
169.06474	16.9
170.07181	6.1
171.04321	4.8
171.08070	19.6
173.06009	9.1
173.09654	6.1
174.06667	16.3
175.07518	100.0
176.08205	4.2
177.05499	21.2
177.06844	4.1
177.09100	29.4
179.10660	3.9
181.06465	4.5
183.08073	7.5
184.05214	4.7
184.08804	3.9
185.05966	18.5
185.09633	13.1
186.06799	8.6
187.07533	20.4
188.08295	4.4
189.09103	24.0
191.07040	17.7
191.10698	6.4
193.08574	26.0
195.08066	30.3
195.10132	7.6
197.05969	15.4
198.06659	8.2
199.07552	16.3
199.11224	3.4
201.05385	12.9
201.09093	31.4
203.07053	14.1
203.10683	11.1
205.08586	9.3
209.08052	4.9
211.07645	3.6
212.08253	5.7
213.05582	5.5
213.09148	16.0
214.06180	5.1
215.07018	11.0
215.10674	4.9
217.08568	21.2
217.12038	2.7
219.10188	5.8
223.07501	10.9
227.06999	16.4
227.10500	13.8
229.08592	31.6
231.10068	12.6
241.08627	15.6
243.10254	4.4
245.08070	33.9
245.11713	7.2
247.09657	14.9
255.10214	13.6
258.76260	2.6
259.09653	5.0
261.11322	5.9
273.11234	39.9
291.12289	86.0
291.19452	7.3
292.12375	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	291.1225
Annotation	CHEBI:67489
Peak:m/z	Relative Intensity
55.00519	0.7
55.05502	2.1
55.15996	0.7
57.35728	0.7
57.56669	0.7
67.05495	3.0
69.03435	0.8
69.07054	1.8
71.43612	0.9
76.45564	0.9
78.61145	0.9
79.05488	2.5
81.03412	0.9
81.07046	4.1
83.01357	0.7
83.08611	1.0
85.06564	0.9
91.05487	3.7
93.07033	4.1
95.04948	2.2
95.08585	2.0
97.02854	0.8
99.04424	1.4
99.08072	0.8
105.07005	1.8
107.04965	1.1
107.08578	2.4
109.10210	1.0
117.07029	1.2
119.04960	1.9
119.08595	1.6
121.06492	5.0
121.10119	1.9
123.04352	3.4
123.08054	0.9
123.11658	1.0
129.06982	1.3
130.06601	1.0
131.04887	1.8
131.08597	1.7
133.06448	1.2
133.10141	0.9
135.11653	1.2
139.03882	1.9
143.08598	1.2
145.10103	1.6
147.04379	5.1
147.08098	1.1
147.11673	0.8
149.05974	2.9
161.05928	1.0
162.03111	9.5
171.11752	1.0
177.05496	2.3
189.05530	1.2
190.02580	16.7
190.04184	1.5
193.70415	0.7
196.21577	0.8
196.69583	0.8
199.03897	0.9
203.10562	0.7
205.04947	100.0
206.05301	3.3
217.04878	1.5
219.06535	2.9
231.06401	0.9
245.07986	1.3
248.08476	1.0
261.11224	3.9
273.07468	0.8
273.11230	5.3
273.14554	1.7
273.18408	3.3
291.09885	1.5
291.12411	3.5
291.15671	11.2
291.20300	5.8
291.23282	1.5
291.26645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05504	11.4
57.07067	1.8
59.04988	2.9
65.03928	1.8
67.05498	51.7
68.99763	3.0
69.03423	2.1
69.06685	1.5
69.07058	4.8
69.74029	3.1
71.04982	8.0
73.02888	1.3
74.28632	1.3
75.57391	1.3
79.05484	10.9
81.07047	100.0
82.07362	1.6
83.04977	1.9
83.08588	2.7
85.06532	9.7
86.33337	1.3
86.75915	1.1
87.00817	19.0
91.05447	7.7
92.06535	1.3
93.07027	5.8
95.04946	3.5
95.08588	8.2
97.06553	2.1
97.10112	1.9
101.06037	2.0
105.01862	6.3
105.07013	12.2
107.08577	8.4
109.06491	4.4
109.10147	9.5
111.08088	2.7
119.08620	1.8
121.10067	1.9
123.08038	2.2
123.11689	60.7
131.08540	2.0
133.10097	16.5
137.09532	1.8
141.12718	21.4
147.11588	1.9
149.09607	1.5
151.11160	31.5
152.21352	1.4
157.10063	1.7
157.59735	1.2
159.13759	3.8
169.12216	6.7
187.13310	10.8
203.08617	1.3
227.12701	1.6
248.08408	1.7
259.07632	1.7
291.09982	4.1
291.19501	2.6
291.26761	1.9
300.13562	1.3
304.26465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.2
60.05634	0.4
61.01142	1.1
68.05017	0.5
69.15233	0.4
69.15639	1.0
70.06581	100.0
71.06912	1.5
72.07262	0.2
84.08131	6.9
85.07649	0.6
86.06063	0.7
87.68226	0.2
89.03915	0.3
91.05486	0.3
95.06070	0.5
98.23440	0.3
107.04988	0.3
112.08711	38.2
113.09073	0.4
117.03368	0.7
128.08224	0.5
132.08405	7.4
132.09363	0.5
133.02856	0.3
135.04384	1.2
145.02832	1.3
147.04408	0.9
163.03883	4.8
175.03845	0.3
197.35791	0.3
199.12279	0.3
239.11205	0.2
245.12840	0.5
250.26105	0.2
273.12332	1.3
273.15027	0.3
291.14456	9.1
291.17325	1.3
292.14618	0.4
297.63095	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	291.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.5
60.05662	0.3
60.05948	0.3
61.01142	16.4
67.39127	0.3
70.06586	2.7
71.23321	0.4
72.04490	0.5
84.04494	0.7
84.08134	88.5
85.08468	1.1
86.06072	2.0
86.09695	0.8
98.97609	0.3
112.08715	0.7
116.72340	0.3
121.02900	0.3
127.03917	0.3
128.08199	1.2
132.08412	100.0
133.08727	1.2
144.06862	0.3
147.04395	1.3
152.33618	0.3
157.07616	2.4
161.07188	0.3
171.10658	0.3
189.06689	0.3
198.11258	1.1
199.12299	2.9
203.03412	0.4
203.08125	1.0
215.13849	1.4
231.02863	0.4
243.17159	0.4
245.12918	1.5
246.11464	0.6
268.18051	0.3
273.12314	15.2
274.12665	0.5
291.13403	8.7
291.17233	18.6
292.13892	0.3
292.17566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03924	1.7
55.01865	13.1
55.05260	1.1
55.05504	13.3
57.03429	17.9
57.07061	1.1
59.04985	0.9
65.03912	1.8
67.05155	1.8
67.05490	24.4
69.03413	1.5
69.07051	8.0
70.06564	3.1
71.04970	2.9
71.44579	0.9
72.08146	1.9
73.06549	1.0
79.05478	34.4
81.03394	2.6
81.07042	25.5
83.04970	2.4
83.08611	6.6
84.13218	1.0
85.06526	5.8
88.07626	1.1
91.05468	30.2
93.07029	24.7
95.04957	17.3
95.08590	15.8
95.36697	1.0
97.06496	3.5
97.10151	2.0
99.04424	1.1
103.05457	1.8
105.04454	1.5
105.06344	1.7
105.07008	23.2
107.04941	8.2
107.08578	21.4
109.06499	100.0
109.10146	5.1
110.06805	1.2
111.08070	5.1
114.10259	2.9
115.05430	3.4
116.06215	1.7
117.06998	18.7
119.08559	16.3
121.06482	5.0
121.10130	6.8
123.08060	7.8
123.11615	1.3
125.09621	1.6
128.06178	2.6
129.06985	11.1
130.07756	1.8
131.07648	1.8
131.08551	23.9
133.06500	2.2
133.10091	8.4
135.08026	43.6
135.11612	4.9
135.15253	1.1
137.09563	2.9
141.06964	2.7
142.07764	2.3
143.08531	10.7
145.10098	13.5
147.08003	7.6
147.11658	4.0
149.09598	14.5
149.13211	1.3
151.07507	7.0
157.10112	7.4
159.08035	3.6
159.11687	6.1
161.09590	14.1
161.13139	1.6
163.11188	3.9
163.14845	1.2
165.09134	1.6
169.10104	1.5
171.11670	5.3
173.13239	3.3
175.11180	4.9
177.12732	2.0
181.10057	1.0
183.11726	2.5
185.13217	1.6
189.12694	2.9
189.16306	1.1
195.11678	1.5
197.11734	1.6
199.11084	1.9
199.14787	4.2
201.12718	2.3
203.14310	1.2
207.13771	4.4
209.13063	1.3
217.15839	21.1
217.17848	0.7
219.13860	1.4
227.17961	2.0
229.23517	2.2
231.13806	1.1
231.17360	1.4
232.09659	3.5
233.15382	1.2
235.16951	1.7
237.16339	2.0
245.18932	2.8
246.09113	2.4
255.17349	4.5
263.19952	1.0
273.18439	34.7
282.56497	1.3
291.19482	60.1
291.26941	6.2
292.19824	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	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	5.3
55.01867	23.5
55.05502	36.3
56.05020	4.6
57.03433	17.7
57.07059	11.1
65.03935	6.4
67.05150	6.2
67.05494	77.1
69.03422	7.0
69.07045	14.0
71.04991	5.0
72.08146	6.3
74.06062	7.8
75.06407	4.0
79.05043	5.9
79.05481	83.9
81.03403	6.7
81.07039	87.7
83.04956	10.6
83.08596	13.8
85.06529	4.9
88.07617	21.9
89.07934	8.0
91.05460	50.3
93.07032	45.9
94.67392	3.3
95.04951	100.0
95.08593	27.7
96.05278	3.0
97.06524	7.8
97.10162	12.6
103.05485	3.9
105.07005	37.2
107.04932	38.3
107.08579	42.7
109.06494	98.0
109.10126	9.5
111.08035	6.5
114.10260	10.4
115.05418	9.0
117.06987	26.2
118.08609	6.4
119.08543	36.5
121.06484	19.4
121.10149	16.4
122.08096	5.2
123.08051	9.5
125.09610	7.7
128.06177	5.1
129.06946	10.8
131.08539	31.9
133.06459	9.6
133.10085	9.4
135.08023	95.2
135.11665	7.3
143.08519	19.3
145.10106	28.1
147.08011	20.7
147.11656	6.4
149.09599	13.7
149.13208	5.9
151.07506	8.5
157.06393	3.6
157.10109	12.1
159.08098	4.1
159.11647	12.3
161.09634	16.3
163.11130	9.2
171.11638	6.8
175.11101	8.7
177.12740	3.8
180.10205	4.0
185.13185	7.5
189.11172	5.7
189.12718	4.9
207.13899	5.1
217.15936	15.1
227.17838	4.9
232.09634	8.7
237.16338	3.4
239.74062	3.2
243.25084	28.3
245.18994	5.4
249.14836	7.9
255.17497	6.9
263.19885	4.0
273.18420	47.6
291.19476	89.4
291.27148	81.4
292.19870	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.97025	1.2
53.03934	3.4
55.01622	1.6
55.01866	22.3
55.05506	19.0
57.03431	14.4
57.07059	2.3
59.04976	1.8
65.03934	3.8
65.29491	1.3
67.05162	2.2
67.05497	29.1
69.03414	4.1
69.07066	8.8
69.41787	1.3
71.04992	3.1
71.51925	1.6
77.92471	1.3
78.39927	1.2
79.05482	54.1
81.03403	4.6
81.07050	35.7
83.04962	3.5
83.08617	7.7
85.02884	1.4
85.06521	4.6
91.05470	41.1
93.06444	1.9
93.07027	29.5
95.04962	15.5
95.08594	21.6
97.06526	2.0
97.10178	2.9
105.04506	1.8
105.07014	27.4
107.04935	16.0
107.07915	2.3
107.08585	25.5
109.06504	69.9
109.10122	6.8
111.08088	2.5
113.05949	2.2
114.10186	1.3
115.05441	3.6
117.07015	16.4
119.04935	2.2
119.06036	2.2
119.08566	22.2
121.06512	11.9
121.10107	7.9
123.04375	1.2
123.08064	7.8
125.09605	3.1
128.06223	2.9
129.06989	11.2
130.07707	2.5
131.08563	17.3
133.06520	6.0
133.10083	7.8
135.08037	100.0
135.11696	4.0
136.08401	1.4
137.09575	3.4
142.07809	2.1
143.08524	9.6
145.06421	1.5
145.10112	15.7
147.08031	10.1
147.11665	3.0
149.09587	12.9
149.13260	1.5
151.11179	1.8
155.08530	1.9
157.10098	8.5
159.08052	4.2
159.11681	9.4
161.09589	13.4
161.13229	1.8
163.11183	3.5
171.11644	5.7
173.13261	3.9
175.11143	4.3
175.14844	1.3
177.09085	1.4
177.12717	2.8
185.09552	1.8
185.13225	2.2
189.12822	1.6
199.11125	1.4
199.14790	3.7
201.12692	2.6
215.08690	1.3
217.15860	16.9
227.17996	3.0
237.16356	1.6
245.19020	3.0
249.14760	2.9
255.17384	4.5
273.18457	29.0
274.18976	1.6
291.19516	62.7
291.26871	3.4
292.19659	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.21054	1.7
53.03933	6.3
54.15144	1.7
55.01860	16.1
55.05503	31.6
57.03416	6.1
57.07061	4.2
65.03923	4.1
67.05495	63.0
68.69890	1.6
69.03418	6.9
69.07056	27.0
70.06581	4.2
71.04969	7.2
71.44765	1.5
75.28038	1.6
75.54739	1.5
79.05038	3.5
79.05483	62.8
79.05943	3.2
81.03415	14.1
81.07046	76.4
83.04981	14.4
83.08605	14.1
85.06522	4.7
91.05469	58.2
91.06043	2.9
92.05762	2.5
93.07032	63.9
95.04958	22.2
95.08591	37.4
97.06504	7.5
97.10143	3.3
99.08051	2.3
100.61425	1.7
101.06081	1.7
103.05489	2.0
105.04502	3.0
105.07016	49.4
106.07341	2.2
106.50120	1.8
107.04955	21.5
107.08581	37.1
109.06510	14.5
109.10125	22.0
111.04433	4.4
111.08080	10.4
115.05442	2.8
117.07001	17.6
119.04926	4.0
119.08555	34.0
121.06475	21.7
121.10121	14.5
123.04450	3.9
123.08044	10.6
123.11721	3.3
125.05973	2.8
125.09608	2.9
128.06207	4.5
129.07025	9.3
131.08540	29.5
133.06448	14.3
133.10107	36.3
135.08034	26.0
135.11700	13.6
137.05968	3.7
137.09592	6.0
139.07530	6.7
142.07721	3.0
143.08528	14.9
145.06496	2.7
145.10115	15.5
147.08018	18.8
147.11688	11.2
149.09595	24.5
149.13226	2.5
151.07530	4.8
151.11182	11.5
155.08528	3.0
157.10138	8.4
159.08037	5.5
159.11676	6.7
161.09590	16.2
161.13260	5.1
163.11130	5.7
165.09035	3.0
165.12708	2.5
171.11661	7.8
173.09622	3.4
173.13301	2.8
175.11174	7.6
177.09070	8.8
177.12581	2.9
179.10620	5.4
183.11578	2.6
185.13193	5.5
187.11267	2.4
189.12703	6.1
199.11243	2.1
203.14204	2.9
207.13683	3.0
217.12181	2.3
227.17839	4.2
231.13684	2.3
237.16423	2.4
245.19012	14.5
255.17390	8.3
263.20114	12.1
273.18430	58.4
274.18814	3.9
291.19492	100.0
291.26932	2.8
292.19870	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	291.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15156	2.4
53.03939	2.6
55.01858	7.0
55.05509	19.1
57.03415	4.1
57.07067	8.5
61.09469	2.6
65.64236	2.5
67.05499	28.5
69.03423	12.7
69.06380	17.5
69.07069	8.0
71.04972	7.2
74.78192	2.3
79.05468	13.7
81.03424	2.5
81.07040	20.5
83.04971	7.9
83.08620	4.6
85.06534	55.7
91.05473	17.0
93.03410	3.5
93.07037	24.9
95.04960	10.1
95.08594	29.7
97.06519	7.7
99.04446	6.5
99.08089	4.3
105.03385	12.8
105.07022	47.3
107.04956	6.1
107.08591	32.7
109.02900	4.0
109.06522	10.8
109.10164	13.8
111.08068	22.4
113.05959	12.9
115.05476	4.4
115.55254	2.5
117.07015	11.0
119.08578	32.6
121.06488	8.8
121.10140	15.2
123.08080	14.2
125.09618	19.5
128.06226	3.9
129.06990	8.1
130.07793	2.7
131.08566	27.2
133.10127	18.4
135.08009	12.1
135.11664	4.7
137.09572	16.0
139.07512	3.3
139.11176	3.7
141.09132	5.6
142.07796	6.2
143.08557	17.1
144.09338	4.3
145.06511	4.7
145.10120	24.0
147.08047	9.2
147.11671	14.3
149.09657	7.7
149.13116	3.5
151.07542	3.0
151.11214	7.0
153.09076	4.4
155.08484	4.7
156.09372	3.7
157.10080	19.3
159.08057	7.0
159.11697	21.8
161.09625	12.9
161.13246	13.8
163.11157	13.3
165.09151	7.8
167.10696	4.1
168.09306	2.9
169.10103	8.0
171.11665	15.2
173.09602	5.9
173.13293	9.1
175.11169	6.8
176.14348	3.4
177.12775	8.5
179.10724	7.9
183.11713	6.9
185.13255	11.2
187.11156	8.3
187.14705	5.3
189.12703	12.2
195.11668	4.4
196.12312	2.8
197.13295	8.0
199.11200	7.1
199.14771	3.7
201.12724	5.1
203.14320	8.2
207.13843	4.7
213.12749	4.6
213.16321	4.9
215.14359	8.7
217.12216	21.6
219.13931	2.7
225.16386	3.1
227.17905	6.2
231.13791	10.3
233.15358	5.6
235.13197	3.4
243.17462	10.9
245.19124	8.6
255.17499	9.3
261.18454	7.8
273.18454	64.2
291.19547	100.0
292.19922	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	291.1951
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
52.35092	0.7
53.03951	0.8
54.77081	0.6
55.01854	1.3
55.05504	8.9
57.03405	0.8
57.07055	2.2
59.04985	2.6
67.05492	4.4
69.03410	1.8
69.07062	1.4
69.70753	2.3
71.04973	3.5
77.03908	1.0
79.05473	8.9
81.07043	8.3
83.04955	2.8
83.08595	10.0
84.14236	0.7
85.02857	1.1
85.06532	2.0
86.27160	0.6
91.05458	4.9
91.07006	0.7
93.07026	11.7
95.04946	6.5
95.08590	15.4
97.06524	4.7
105.07001	9.2
107.04935	14.7
107.08587	8.0
108.05719	0.9
109.06497	7.2
109.10149	2.3
111.08057	39.1
113.09605	1.8
117.06993	0.8
119.08566	10.1
121.06474	2.2
121.10122	6.1
122.07248	1.4
123.08045	34.1
123.11704	1.2
125.09595	1.4
131.08534	5.3
131.37892	0.7
133.06476	3.6
133.10103	7.4
135.08040	5.2
135.11655	2.3
137.09590	2.0
142.07713	1.7
143.08508	1.4
145.10085	4.6
147.08014	2.6
147.11646	5.0
148.08810	0.7
148.15292	0.7
149.09578	7.4
151.07512	100.0
152.07848	2.4
153.09084	0.8
155.10625	2.3
156.09283	1.4
157.10086	4.2
158.10814	0.8
159.07991	1.8
159.11606	1.0
160.08804	0.9
161.09590	2.4
161.13251	1.1
163.11153	2.7
165.09108	1.0
167.10660	0.9
171.11641	2.8
173.09608	1.4
173.13210	5.6
174.10378	2.0
175.11183	3.9
177.09070	2.1
179.10617	4.8
181.12164	1.5
187.14796	1.1
189.12700	23.4
189.16269	0.8
190.13214	0.8
191.14272	11.9
192.11388	3.9
197.11696	11.3
197.13286	1.6
205.12215	1.2
207.13760	60.6
208.14052	2.0
211.13194	1.2
213.16341	1.3
215.14259	3.6
217.12158	3.4
231.17368	2.7
233.15323	28.8
235.13290	1.5
237.16306	1.3
249.18509	1.4
255.17484	1.9
273.18500	4.7
291.19464	42.7
292.19745	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
50.15156	2.4
53.03939	2.6
55.01858	7.0
55.05509	19.1
57.03415	4.1
57.07067	8.5
61.09469	2.6
65.64236	2.5
67.05499	28.5
69.03423	12.7
69.06380	17.5
69.07069	8.0
71.04972	7.2
74.78192	2.3
79.05468	13.7
81.03424	2.5
81.07040	20.5
83.04971	7.9
83.08620	4.6
85.06534	55.7
91.05473	17.0
93.03410	3.5
93.07037	24.9
95.04960	10.1
95.08594	29.7
97.06519	7.7
99.04446	6.5
99.08089	4.3
105.03385	12.8
105.07022	47.3
107.04956	6.1
107.08591	32.7
109.02900	4.0
109.06522	10.8
109.10164	13.8
111.08068	22.4
113.05959	12.9
115.05476	4.4
115.55254	2.5
117.07015	11.0
119.08578	32.6
121.06488	8.8
121.10140	15.2
123.08080	14.2
125.09618	19.5
128.06226	3.9
129.06990	8.1
130.07793	2.7
131.08566	27.2
133.10127	18.4
135.08009	12.1
135.11664	4.7
137.09572	16.0
139.07512	3.3
139.11176	3.7
141.09132	5.6
142.07796	6.2
143.08557	17.1
144.09338	4.3
145.06511	4.7
145.10120	24.0
147.08047	9.2
147.11671	14.3
149.09657	7.7
149.13116	3.5
151.07542	3.0
151.11214	7.0
153.09076	4.4
155.08484	4.7
156.09372	3.7
157.10080	19.3
159.08057	7.0
159.11697	21.8
161.09625	12.9
161.13246	13.8
163.11157	13.3
165.09151	7.8
167.10696	4.1
168.09306	2.9
169.10103	8.0
171.11665	15.2
173.09602	5.9
173.13293	9.1
175.11169	6.8
176.14348	3.4
177.12775	8.5
179.10724	7.9
183.11713	6.9
185.13255	11.2
187.11156	8.3
187.14705	5.3
189.12703	12.2
195.11668	4.4
196.12312	2.8
197.13295	8.0
199.11200	7.1
199.14771	3.7
201.12724	5.1
203.14320	8.2
207.13843	4.7
213.12749	4.6
213.16321	4.9
215.14359	8.7
217.12216	21.6
219.13931	2.7
225.16386	3.1
227.17905	6.2
231.13791	10.3
233.15358	5.6
235.13197	3.4
243.17462	10.9
245.19124	8.6
255.17499	9.3
261.18454	7.8
273.18454	64.2
291.19547	100.0
292.19922	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	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03936	0.9
55.01868	2.3
55.05256	0.6
55.05505	9.1
57.03407	0.5
57.07062	0.9
65.03935	0.5
67.05158	0.5
67.05494	5.6
69.03410	1.2
69.07061	2.9
70.70827	0.4
71.04970	0.8
71.60082	0.4
73.95357	0.4
79.05479	7.8
81.03407	1.2
81.07042	6.8
83.04964	1.4
83.08601	4.0
91.04931	0.7
91.05468	8.4
93.07037	7.2
94.04198	0.6
95.04951	3.8
95.08581	2.6
97.06520	0.6
97.10165	3.7
103.05476	0.4
105.04516	0.4
105.07007	6.6
107.04928	3.4
107.08576	3.9
108.05740	0.7
109.06483	1.6
109.10131	1.5
112.08655	0.4
115.05421	0.5
117.06995	3.1
119.04910	1.9
119.08556	4.9
120.05681	0.8
121.06474	1.2
121.10149	2.0
123.08028	1.7
125.09628	1.2
128.06195	0.6
129.06950	2.0
130.07768	0.4
131.08560	3.1
133.06473	4.2
133.10101	1.4
134.07253	1.1
135.08047	1.2
135.11754	0.5
137.09592	0.6
142.07727	0.4
143.08510	1.1
145.10059	2.7
147.08035	4.1
147.11636	0.7
149.09569	1.5
149.13145	0.5
151.07487	0.5
157.10101	0.9
161.09615	1.4
162.10402	1.2
163.11156	0.9
165.09035	0.5
171.11629	0.6
175.11163	0.7
189.12645	0.5
217.15929	0.4
223.13272	1.6
232.09721	1.0
249.14726	2.8
261.14688	0.4
273.18527	2.4
291.19492	100.0
292.19794	4.7
292.22803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03917	3.9
54.67327	2.1
55.05514	18.8
56.43365	2.6
57.07053	4.1
59.35406	2.4
67.05492	32.0
69.07068	15.4
71.43481	3.2
79.05484	58.1
81.07043	47.8
83.04924	3.0
83.08607	8.3
86.44436	2.3
89.56893	2.3
91.05469	25.5
93.07035	79.9
95.04935	9.5
95.08596	32.4
97.06514	5.1
97.10155	3.9
105.04498	2.6
105.07018	12.5
107.08582	56.8
109.06493	4.1
109.10129	13.5
112.80635	2.7
117.06955	3.6
119.08575	14.7
121.10126	45.1
123.11700	3.5
129.08878	2.5
131.08549	5.5
133.10095	14.1
135.08092	4.1
135.10648	3.5
135.11681	52.0
137.09566	3.4
143.08501	2.7
145.10130	7.0
147.11671	10.3
149.09602	4.4
149.13245	44.5
153.70296	2.2
159.11678	6.1
161.13216	11.8
163.11090	3.4
163.14867	12.4
165.12689	2.7
170.36966	2.3
171.11552	2.3
172.11539	3.2
173.13240	3.9
175.14812	4.8
195.13788	3.0
199.14792	4.1
213.16464	3.6
217.19449	3.7
231.17285	3.1
241.19440	7.1
259.20480	8.4
273.18533	3.3
291.19507	9.3
291.23093	100.0
291.26392	5.7
292.17133	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	291.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45990	2.8
55.05508	18.4
57.07065	3.7
57.32528	2.8
67.05502	40.8
69.07061	20.5
69.31796	13.4
79.05485	67.8
79.11170	2.8
81.07047	51.6
83.04965	3.3
83.08585	6.0
85.06509	5.7
91.05464	25.8
93.07037	100.0
95.04950	7.0
95.08591	36.0
96.03910	4.0
97.10146	6.1
105.04470	4.5
105.07022	22.2
107.08574	64.2
109.10126	18.3
117.06976	4.5
118.98061	3.0
119.08588	18.5
121.10136	49.0
123.08048	3.9
123.11723	5.5
129.07053	3.3
131.08545	8.0
133.10121	19.2
135.11679	71.6
136.11951	3.1
137.09604	3.1
145.10100	9.5
147.11674	11.5
149.13232	44.0
159.11617	5.8
161.13208	9.4
163.14798	15.9
171.11736	3.5
175.14748	4.1
177.12735	7.9
177.16316	3.9
185.13232	4.1
199.02922	3.0
199.14754	3.7
203.14275	3.8
213.16382	3.3
217.19507	3.7
241.19386	4.8
249.18387	4.0
259.13367	5.7
259.20532	13.9
291.19830	6.2
291.23111	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.11071	2.3
50.11334	2.2
55.05515	19.0
57.07059	8.2
59.67440	2.2
61.79202	2.3
67.05496	41.6
69.07061	18.6
79.05483	71.8
81.06616	4.8
81.07048	51.3
83.08595	11.4
85.06513	5.1
91.05463	33.9
93.07034	100.0
95.04948	7.6
95.08596	42.5
97.06480	3.7
97.10155	6.5
105.07013	24.4
107.08584	54.3
108.00874	2.6
109.06514	4.0
109.10136	18.1
117.06989	3.9
119.08542	15.8
121.10134	48.7
122.10485	3.1
123.08102	5.2
123.11701	7.5
129.06964	3.8
131.08556	8.0
133.10115	20.1
135.08072	3.7
135.11674	52.6
136.12003	3.0
143.08653	2.8
145.10104	8.4
147.11653	12.6
149.09608	4.4
149.13245	30.9
156.84561	2.6
157.10106	4.0
159.11685	3.6
161.09570	3.5
161.13246	11.0
163.14738	14.5
171.11646	4.5
175.11150	4.0
175.14813	10.0
177.12808	3.5
213.16350	3.9
215.17871	4.0
217.19505	7.6
231.21149	4.3
241.19449	8.3
249.18294	3.1
259.20529	11.4
281.54486	2.6
291.19870	5.1
291.23151	51.1
291.26413	4.6
292.23459	3.6
311.13226	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	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03942	1.4
54.61122	1.1
54.68525	1.1
55.01853	1.3
55.05509	21.3
55.62782	1.2
55.84796	1.2
57.07053	4.6
59.04989	2.4
60.17844	1.2
65.03926	3.0
67.05501	31.9
69.07066	22.3
69.29868	6.5
71.08627	1.6
73.06548	3.5
77.03901	2.0
79.05487	50.3
81.07050	53.9
82.07393	1.4
83.04980	2.3
83.08621	8.6
85.06522	4.8
91.05476	43.3
93.07038	100.0
94.07397	2.0
95.04968	7.6
95.08601	32.5
97.06523	3.2
97.10146	3.6
98.23472	2.2
99.08096	1.5
105.04488	3.1
105.07020	33.2
107.08586	51.9
109.06512	3.5
109.10139	10.4
111.08031	2.1
113.06033	1.2
115.07513	1.6
117.07022	6.3
119.08562	25.2
121.10143	31.8
123.08071	4.0
123.11684	4.7
125.09587	1.2
129.06996	4.5
131.08543	7.5
133.10121	22.0
135.08035	3.9
135.11688	26.6
137.13257	2.2
143.08534	5.6
145.10097	7.4
147.08011	2.4
147.11670	23.2
149.09602	3.7
149.13258	22.3
155.04655	1.5
157.10097	4.8
159.11650	4.3
159.97618	1.1
161.09607	3.6
161.13248	17.3
163.11145	1.4
163.14821	16.5
171.11694	9.0
173.13210	3.7
175.11176	3.5
175.14839	14.1
177.12712	2.6
177.16406	4.6
185.13200	5.8
189.12730	5.7
193.12279	1.6
199.14844	2.5
203.14214	2.8
207.13771	2.0
215.17920	2.1
217.15796	1.6
217.19420	13.8
221.15311	3.7
231.17397	2.7
231.21054	4.6
235.16945	4.0
241.19473	12.3
249.18512	2.1
259.20615	18.2
291.23157	79.5
292.23526	5.2
296.23334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03938	4.1
55.01862	2.4
55.05499	30.1
57.07050	8.7
59.04989	4.4
67.05165	3.6
67.05495	52.9
69.06761	2.3
69.07056	28.2
70.05148	5.4
71.04971	2.8
71.08607	5.5
73.06539	4.7
79.05040	4.1
79.05477	67.8
81.07042	71.5
83.04948	2.2
83.08590	9.0
85.06524	7.5
87.65786	1.8
91.05465	78.8
93.07027	100.0
95.04958	13.0
95.08589	41.0
97.06475	2.5
97.10168	2.6
98.23458	3.4
101.05976	4.2
105.04462	4.5
105.07005	62.7
107.08574	50.8
109.06469	4.5
109.10133	15.2
111.08057	3.6
115.05395	3.2
117.07005	13.5
119.07732	4.4
119.08556	67.9
121.06465	2.6
121.10123	45.3
123.08044	2.7
123.11680	10.0
129.06981	9.1
131.08542	17.9
133.10107	48.3
135.08028	10.8
135.11673	25.0
137.09561	3.5
137.13261	4.2
142.07747	2.6
143.08536	12.3
145.10075	14.1
147.08003	8.2
147.11662	44.0
149.09589	6.3
149.13235	20.1
157.10092	10.0
159.11647	9.8
161.09596	12.8
161.13219	23.1
163.11128	5.1
163.14822	17.0
171.11641	20.6
173.13226	2.6
175.11148	12.0
175.14786	24.6
177.12735	4.1
177.16359	6.9
177.70656	2.6
181.12375	2.6
185.13261	11.2
189.12718	14.4
193.12204	3.8
195.13791	2.5
203.14183	5.1
207.13777	4.2
213.16209	3.1
215.17911	5.4
216.56664	2.2
217.15967	2.8
217.19449	43.7
218.19781	3.0
221.15431	10.7
231.17476	6.1
231.21011	13.7
235.16931	7.7
241.19443	27.1
247.19739	2.2
249.18617	2.7
259.20551	43.3
291.23108	94.0
292.23383	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03933	4.5
55.01858	3.5
55.05508	20.8
57.07063	5.7
59.04978	3.8
65.03902	2.4
67.05157	3.3
67.05495	35.6
69.07056	22.9
69.63239	4.2
69.63564	3.8
75.13075	1.8
79.05040	4.3
79.05481	66.2
81.07047	60.8
83.08604	14.5
85.06503	6.0
91.05463	40.9
93.07032	100.0
94.07359	2.7
95.04953	14.4
95.08594	35.2
97.06475	2.4
97.10197	5.1
99.08047	2.0
100.16234	2.0
105.04491	5.4
105.07016	30.6
107.04950	2.0
107.08580	60.9
108.08905	2.4
109.06491	7.0
109.10137	14.0
117.06988	6.4
119.06026	2.4
119.08548	31.3
121.10122	38.7
123.08065	2.7
123.11707	3.7
125.09538	2.6
129.07014	2.6
131.08557	7.8
133.10115	23.5
135.08022	2.4
135.11670	38.5
137.13200	2.8
143.08542	2.5
145.10101	9.3
147.08012	3.1
147.11639	21.2
149.09616	4.4
149.13222	29.0
151.11121	2.3
152.98448	2.0
157.10101	5.8
159.11623	8.0
161.09618	4.5
161.13231	19.0
163.11182	3.5
163.14822	20.2
165.77058	2.2
171.11693	10.4
173.13184	3.0
175.11095	2.4
175.14854	12.3
177.12672	3.2
177.16380	6.3
181.02556	2.3
185.13226	7.2
189.12721	5.2
199.14609	2.3
203.14284	2.6
215.17944	3.6
217.15965	2.5
217.19528	7.7
221.15341	2.2
231.21028	3.0
235.16953	4.6
241.19492	10.0
249.18275	2.4
259.20544	16.0
290.96777	2.0
291.19598	6.7
291.23105	81.7
292.23462	5.9
309.32053	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05613	4.3
60.72309	2.8
69.12625	17.8
69.93710	3.3
70.06593	10.5
98.22681	5.6
116.07143	4.3
118.08640	81.1
119.08998	9.4
120.11777	3.5
161.99489	57.4
175.11914	15.2
176.01016	3.8
176.12085	4.0
193.11949	3.5
293.06171	100.0
294.03656	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	293.0917
Annotation	Imbiline 1
Peak:m/z	Relative Intensity
55.01842	0.7
55.05504	2.2
57.07065	0.8
60.38091	0.4
63.62334	0.4
65.13562	0.5
67.05503	3.1
69.07054	1.3
69.61665	2.0
70.06571	0.8
79.05470	1.7
81.07059	2.4
83.04971	0.5
83.08595	1.0
83.35163	0.5
88.07620	0.8
91.05474	2.0
93.07013	1.7
95.04966	1.9
95.08588	2.8
97.06511	1.3
97.10170	1.4
105.07006	1.4
107.08572	2.5
109.06503	0.9
109.10115	0.8
111.08057	0.5
116.98644	0.6
117.07018	0.5
119.08540	1.0
121.06467	0.4
121.10098	0.9
125.09600	0.7
131.08531	1.1
133.10139	0.9
137.09581	0.7
145.10051	0.6
147.11710	0.8
147.81679	0.4
149.09628	0.8
159.11659	0.8
164.32851	0.4
177.09250	0.4
189.11205	0.8
205.07628	2.7
206.06032	1.1
206.08351	1.6
221.10706	0.5
223.13277	0.7
230.23869	1.3
233.04951	0.7
233.07097	10.7
234.07835	20.1
235.06212	1.5
235.08519	1.9
236.07126	1.4
237.06578	1.5
238.07401	0.4
247.69995	0.5
249.10146	1.6
250.07338	4.7
251.05716	8.7
251.08165	5.5
252.06479	0.6
252.95985	0.4
261.06589	2.5
265.06091	1.5
265.09732	1.1
266.07700	0.5
275.19983	3.2
278.06848	1.1
292.27469	3.8
293.09149	100.0
293.20731	3.1
293.27634	0.9
294.07364	24.7
294.14487	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0918
Annotation	Phaitanthrin E
Peak:m/z	Relative Intensity
55.01868	9.4
55.02103	0.9
55.05510	8.1
57.07069	1.5
65.03940	1.2
67.05495	8.8
69.03427	1.9
69.07069	6.4
70.06587	0.8
70.69068	1.4
71.05006	0.9
79.05479	7.7
81.03411	0.6
81.07048	12.0
81.07483	0.8
83.04956	3.3
83.08605	4.4
85.06554	1.6
91.05476	4.7
92.95811	0.6
93.07052	5.7
95.04981	2.7
95.08604	9.7
97.06523	6.5
97.10171	3.8
98.97615	1.3
105.07013	4.4
107.04962	1.5
107.08585	10.1
108.05838	0.7
109.06484	1.8
109.10123	4.1
111.08057	0.8
117.07008	1.6
119.08585	3.3
121.10134	2.6
123.08070	1.2
123.11681	1.7
125.09615	5.0
128.99094	0.6
129.07011	0.7
131.08589	2.0
133.10129	1.8
135.08058	1.0
135.11667	2.1
137.05936	0.7
137.09680	1.0
145.10132	2.4
147.11690	1.9
149.09641	1.9
149.13280	1.2
153.12747	1.0
159.11726	1.2
161.13348	0.8
163.11154	2.0
189.11201	2.5
205.07579	1.2
205.12077	0.7
206.05977	7.9
207.06825	1.8
220.07582	1.5
221.07082	0.7
222.07716	4.6
223.06230	2.2
223.13290	1.8
224.06932	0.9
233.07072	5.3
234.07771	1.7
235.06248	21.0
236.06995	5.7
238.08548	1.0
245.07063	2.6
249.06596	0.8
250.07460	6.7
251.05737	10.7
251.08138	1.3
251.16336	1.2
252.06519	18.7
257.18924	1.3
261.06564	100.0
262.07227	10.7
262.09933	0.7
266.08038	3.5
275.19965	7.0
277.06055	21.0
278.06808	9.6
278.09610	1.4
280.05899	3.1
292.27499	2.1
293.09146	55.4
293.17938	1.3
293.21060	11.7
293.28177	2.2
294.07465	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1017
Annotation	Isopurpurasol
Peak:m/z	Relative Intensity
55.01854	1.3
55.05499	6.2
57.07069	1.1
59.04987	3.2
62.46292	1.0
65.03922	1.7
67.05491	6.6
68.99776	1.7
69.03413	1.4
69.07061	57.3
69.20747	5.4
77.03921	2.0
79.05473	4.3
81.07052	6.1
83.04964	2.4
83.08610	1.8
85.06520	1.4
91.05454	5.6
93.07036	3.8
95.04965	7.7
95.08595	4.4
97.06534	1.4
97.10142	1.1
100.73995	1.0
105.03383	3.5
105.07038	4.9
107.04938	5.0
107.08575	4.7
109.06519	2.8
109.10110	2.3
113.23804	1.1
117.06954	1.5
119.04900	2.0
119.08555	3.1
120.02044	1.8
121.06489	4.3
121.10130	3.4
123.04427	14.0
123.11703	1.8
125.09650	2.7
128.06239	1.1
131.08496	1.7
132.65407	1.0
133.02834	12.3
133.06462	1.5
133.10118	2.6
135.04398	6.7
135.08018	2.5
137.06018	1.2
138.22916	0.9
143.08557	1.2
144.43300	1.1
145.10143	1.4
147.04396	5.4
147.11661	1.2
148.01526	2.6
149.02304	6.7
149.05905	1.5
149.09589	3.0
149.13109	1.0
151.03896	5.0
153.05440	1.6
153.09016	1.8
159.08067	1.3
161.02344	10.0
161.05977	2.7
161.09700	1.4
162.03099	7.9
163.03888	9.9
163.11189	2.7
165.01807	1.0
165.05484	3.1
173.13268	1.4
177.05449	4.1
179.03366	13.6
179.10646	1.6
181.04924	1.5
187.11272	1.0
189.03082	1.4
189.05452	3.0
189.12636	1.3
190.02603	5.0
191.03328	4.8
192.04077	2.9
193.04967	2.3
194.02075	12.9
204.00577	1.6
205.04959	15.8
207.02867	72.5
208.03328	3.2
209.04417	24.3
215.07021	2.8
217.08604	4.6
218.02092	14.3
219.02853	95.0
220.03123	2.7
221.04427	4.7
221.15634	1.0
233.04411	47.2
233.07813	4.9
234.04791	2.2
243.06494	2.2
245.08064	12.3
247.09671	2.2
257.18820	1.8
275.09109	84.4
275.20032	7.5
276.09427	3.3
293.10147	100.0
293.17236	3.4
293.20947	9.4
294.10550	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	293.1165
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
53.03934	2.5
55.01867	6.7
55.05490	2.6
59.04981	3.3
61.01143	14.9
62.49329	1.6
69.84043	5.5
71.04985	2.2
72.04510	13.2
72.08142	3.9
73.02912	3.6
74.16393	1.7
78.03049	1.9
78.03786	31.2
81.03419	3.5
81.07037	2.3
83.04978	3.1
84.08183	4.3
85.02897	17.4
86.06068	3.3
86.38356	1.9
89.07901	1.7
93.07092	2.6
98.06081	2.9
98.22858	2.3
98.97595	3.2
99.04458	12.1
101.06045	2.3
102.03760	42.1
102.04374	2.9
103.02178	5.0
103.03926	32.6
104.01666	3.0
109.02894	6.7
112.07664	1.7
114.03765	3.6
114.05518	4.1
115.08775	2.7
118.03273	2.3
119.88074	1.7
120.04832	7.1
120.08154	2.9
121.06508	2.6
123.11871	1.8
126.05514	33.9
127.03898	11.8
131.06383	20.7
132.04771	15.5
149.06241	3.4
149.07423	100.0
152.07108	3.7
154.08641	3.9
175.05270	3.6
180.06557	27.0
193.09810	2.7
198.07697	5.7
216.08659	4.5
219.98878	2.0
221.05969	2.6
222.08054	2.4
231.11708	8.4
233.09499	2.1
237.10252	2.3
247.33752	1.9
249.05527	12.6
250.06348	2.3
257.09518	3.6
265.09769	3.8
267.06598	7.3
275.10703	7.1
279.72781	2.0
292.27106	1.9
293.09021	2.8
293.11761	78.3
293.15103	12.2
293.18420	3.9
294.07620	6.3
294.11960	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1169
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
55.01867	1.0
55.05480	0.7
59.04985	0.2
59.74165	0.1
65.81901	0.1
67.05492	1.4
69.03388	0.2
69.07063	0.9
69.86919	0.3
69.87246	0.3
74.40254	0.1
75.34657	0.2
79.05482	1.0
81.07046	2.2
83.04973	0.3
83.08582	0.7
89.74844	0.1
91.05445	0.7
92.77433	0.2
93.07033	1.0
95.04941	0.6
95.08601	1.6
97.06489	0.7
97.10148	0.3
98.23370	0.2
99.08051	0.3
105.06992	0.6
107.04903	0.2
107.08576	1.3
109.06480	0.3
109.10151	0.8
119.08567	0.4
121.10097	0.6
123.11673	0.3
125.09631	0.3
133.02811	0.2
133.10092	0.3
135.11639	0.3
145.10130	0.4
147.19376	0.2
149.09583	0.4
149.13211	0.4
157.10077	0.2
159.11731	0.2
163.05473	0.3
163.11133	0.3
163.14899	0.2
176.06227	0.5
177.06898	0.3
178.07700	0.3
179.08527	1.0
188.06319	0.2
189.06938	1.6
190.07701	1.1
191.08597	0.8
192.05597	0.5
201.06947	0.4
202.07793	1.1
203.08504	0.5
204.05672	0.4
205.06422	1.3
207.08023	7.0
208.08575	0.4
216.05746	0.3
217.06407	1.7
218.07213	3.3
219.08009	12.5
220.05196	1.1
220.08549	0.9
221.09537	0.5
223.06027	0.2
229.07651	0.4
231.07964	0.4
232.05219	0.2
232.08749	0.8
233.05913	0.9
233.09521	2.4
234.06686	1.6
235.07538	19.1
236.07930	0.8
245.06093	0.6
246.06740	1.8
247.07498	26.1
248.04654	0.4
248.08102	2.8
249.09102	2.9
250.09857	2.0
251.05730	4.3
251.10373	0.3
252.06470	0.3
260.08273	0.6
261.06570	0.3
261.09015	1.1
262.09851	32.1
263.07019	22.6
263.10184	2.3
264.07294	1.0
266.08078	0.5
275.20056	0.8
277.08676	0.7
278.09332	32.0
279.09848	2.4
292.10788	0.3
293.11664	100.0
293.20953	1.4
294.07571	13.3
294.12100	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	293.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	8.2
57.03433	12.3
60.15541	1.7
67.05481	9.0
69.03427	9.7
69.07042	3.8
71.01343	4.8
71.04984	31.7
71.41441	1.8
73.02893	5.5
75.04474	9.6
79.05489	4.4
81.03415	3.5
81.07038	7.9
83.04976	26.2
83.08619	3.0
85.02895	100.0
87.04463	3.2
93.07021	4.6
95.04948	9.7
95.08599	5.7
97.02879	3.2
97.06516	2.2
99.04430	4.3
101.05984	6.8
101.65691	1.7
105.07059	3.3
108.27889	1.7
109.02867	5.3
109.06495	2.5
109.10116	3.5
111.04428	21.6
113.06003	4.0
119.08613	2.3
121.06474	3.3
121.10094	2.9
127.03912	2.8
129.05461	28.4
137.05963	2.5
139.03900	1.9
145.33871	1.9
147.06531	9.5
149.13269	2.2
151.07518	2.3
153.05457	10.7
157.04916	3.3
171.06509	9.4
194.38289	2.7
201.07588	2.7
213.07608	2.0
239.09027	6.8
248.57747	1.9
255.54681	1.8
257.10031	2.4
265.08588	4.1
275.11182	3.5
275.20248	2.2
293.08002	6.5
293.11816	6.1
293.17337	3.1
293.20981	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.66653	2.8
53.03932	4.0
55.01867	14.6
55.05508	35.4
55.44499	2.5
57.03425	4.4
57.07058	6.2
59.59973	2.6
64.84779	2.5
65.61821	2.6
67.05499	56.3
69.03412	5.3
69.07059	24.4
69.68760	10.7
71.04990	4.7
74.06056	2.5
75.39144	2.3
79.05492	47.8
80.84698	3.0
81.03413	11.6
81.07049	68.2
82.04111	2.7
83.04974	10.5
83.08611	16.5
85.06535	4.6
91.05466	31.1
93.07027	36.5
95.04958	21.1
95.08587	42.5
97.06524	15.4
97.10158	14.7
98.97575	6.4
105.07006	39.7
107.04946	13.3
107.08587	53.8
109.06514	16.1
109.10160	17.7
111.08070	6.0
116.98624	3.5
117.07003	12.0
119.08553	27.5
121.06461	5.9
121.10120	19.4
123.08047	6.5
123.11712	8.8
125.09586	16.4
131.08546	17.1
133.10100	26.3
135.08067	8.3
135.11693	9.5
137.09656	7.6
137.13133	2.5
145.10088	13.6
147.11697	12.3
149.09607	15.7
149.13193	4.3
151.11179	9.6
157.10104	3.4
159.11690	10.8
163.11160	7.6
165.09102	6.7
171.11687	4.8
173.13225	7.7
175.11195	3.2
177.12659	4.1
183.11604	3.7
187.11188	4.4
189.11197	11.2
207.13722	3.6
215.17975	3.4
219.17450	3.2
225.97058	3.0
229.19565	3.9
239.17998	4.4
247.20651	8.2
251.05765	5.1
257.18976	16.4
262.09918	4.2
275.16989	5.5
275.20023	100.0
276.20505	5.0
293.11777	4.4
293.17749	5.1
293.20990	37.2
293.28253	3.3
294.07593	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03950	5.7
55.01849	19.4
55.05256	8.7
55.05502	100.0
57.03431	9.6
66.88521	5.2
67.05496	63.7
69.03415	11.7
69.07066	31.1
71.04996	7.1
71.33935	8.9
72.08125	7.4
79.05475	67.4
81.03434	6.0
81.06280	6.1
81.07038	82.8
83.04979	14.5
83.08611	54.2
85.06519	6.8
91.05465	50.0
93.07036	52.2
95.04964	20.9
95.08592	46.6
97.06513	20.1
97.10155	88.3
98.98498	6.9
105.07021	47.0
107.04892	14.0
107.08579	60.2
109.06488	20.8
109.10142	25.8
111.08130	7.8
117.06999	17.7
119.08577	27.5
120.08116	7.2
121.06479	6.5
121.10136	27.8
123.08039	11.2
125.09605	64.2
130.16678	6.5
131.08522	18.8
133.10104	27.5
135.08047	15.4
135.11700	10.9
145.10095	14.8
147.11691	22.2
147.56950	5.7
149.09589	11.4
151.11107	9.8
159.11652	11.6
189.11192	51.9
235.07352	9.6
248.42392	6.9
252.99124	5.9
253.10995	6.6
257.18936	9.4
262.09921	9.2
271.12054	6.9
275.20013	93.2
276.20401	7.6
293.11615	20.5
293.17618	8.0
293.20911	68.5
293.27652	22.0
294.07590	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	293.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00780	1.4
53.03938	5.1
55.01867	9.6
55.05223	1.5
55.05504	30.8
55.05754	1.1
57.03418	2.9
57.07057	2.2
59.04993	2.5
65.03929	2.7
66.31312	1.2
66.91586	1.3
67.05497	51.5
69.03429	3.5
69.07064	26.2
69.43741	4.5
69.44147	2.2
71.04984	4.9
75.53358	1.4
77.03954	1.7
79.05039	2.8
79.05486	47.3
81.03408	7.5
81.07050	69.1
82.70676	1.3
83.05000	9.2
83.08605	22.2
85.02917	1.5
85.06519	3.8
91.05470	36.3
93.07030	32.3
95.04964	19.6
95.05544	2.5
95.08594	31.9
95.47894	1.5
97.06528	12.9
97.10155	15.1
98.22740	2.8
98.97594	1.7
99.08105	1.4
103.05415	2.4
105.04527	1.5
105.07020	34.7
107.04958	11.8
107.08583	44.1
109.06518	14.3
109.10147	17.9
111.08053	5.0
115.05447	1.6
116.92794	1.4
117.07001	8.4
119.06165	1.5
119.08554	24.5
121.06484	5.0
121.10146	18.8
123.04469	1.8
123.08066	7.7
123.11707	7.3
125.09624	16.0
129.06966	2.8
131.08572	19.5
133.06482	3.2
133.10112	26.7
135.08017	8.6
135.11691	9.1
137.09602	5.7
137.13263	1.8
139.11174	2.0
141.06958	2.2
145.10123	13.5
147.08058	2.9
147.11671	16.7
149.09625	17.6
149.13225	3.8
151.11124	8.7
155.08568	2.1
157.10129	4.6
159.08044	1.5
159.11674	12.0
161.09642	2.1
161.13242	4.7
163.11235	9.9
165.09117	7.6
165.12732	3.8
169.10135	2.5
171.11674	2.7
172.62213	1.9
173.11900	1.8
173.13130	8.5
175.11147	3.4
177.12743	3.5
183.11649	2.8
187.11157	3.1
187.14819	2.8
189.11212	9.2
189.12662	1.4
201.12723	2.7
205.12177	1.5
215.14330	1.8
215.18005	2.1
219.13910	1.8
223.13335	2.7
229.19505	4.8
239.17889	6.2
247.20505	8.7
257.19031	12.9
275.20026	100.0
276.20419	4.1
293.08231	2.8
293.17487	3.2
293.21024	36.4
294.07562	2.4
294.21567	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01866	15.4
55.05504	26.8
65.03941	3.8
67.05492	39.1
69.03410	3.9
69.07061	20.9
69.82515	3.1
69.85786	7.4
69.92124	3.1
71.04987	3.0
79.05484	44.1
81.03402	10.9
81.07037	41.8
81.07489	3.2
83.04990	6.1
83.08604	7.7
85.06525	3.7
90.83306	3.0
91.05470	22.8
93.07038	34.2
95.04932	17.7
95.08586	25.1
97.06528	14.3
97.10163	14.2
98.22671	2.8
98.97556	4.5
101.06013	3.1
103.84432	2.6
105.07014	37.0
107.04947	11.5
107.08571	45.3
109.06528	15.0
109.10149	9.7
117.07018	8.6
119.08551	23.3
120.64243	2.8
121.06556	4.6
121.10144	16.0
123.08067	4.9
123.11660	4.5
125.09595	9.9
128.85939	2.6
129.07018	3.0
131.08527	17.2
133.10115	18.2
135.08026	8.1
135.11671	8.1
136.35764	2.9
137.09607	5.2
145.10117	12.1
147.11649	8.3
149.09619	22.2
149.13243	6.7
151.11111	15.5
159.11665	9.2
161.13245	5.5
163.11147	10.4
165.09079	8.3
173.13246	7.2
185.13298	3.1
189.11176	6.9
201.12778	3.9
207.06776	3.4
229.19518	5.0
235.06256	10.0
238.88936	5.9
239.17787	4.1
247.20505	11.2
251.05772	32.2
252.06641	3.5
257.19073	6.9
266.08191	3.9
275.20026	100.0
293.11649	9.1
293.17545	7.3
293.21048	36.6
294.07565	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.96205	2.6
53.00763	2.3
53.03939	4.6
55.01857	15.4
55.05502	81.5
57.03426	11.8
57.07065	6.6
59.05002	3.7
61.26300	2.8
64.35256	2.6
67.05494	88.2
69.03416	12.7
69.07061	41.9
69.76590	9.1
71.04974	15.8
71.08608	2.9
77.03905	3.3
79.05482	100.0
81.03394	12.7
81.07047	82.6
83.04964	17.2
83.08607	32.0
85.06513	4.3
88.07603	3.1
88.56930	2.9
91.05463	54.8
92.05745	2.8
93.07029	82.5
95.04957	44.5
95.08596	56.0
97.06519	17.8
97.10164	24.7
99.08138	3.6
105.04514	3.5
105.07011	53.1
107.04927	10.1
107.08584	63.1
109.06530	15.0
109.10138	31.9
111.08067	8.1
117.07027	10.8
119.08556	35.4
121.06508	6.9
121.10127	43.1
123.08062	7.4
123.11685	6.6
125.09615	22.9
131.08571	19.5
133.10115	28.9
135.08020	8.9
135.11673	12.1
137.09581	40.8
137.13245	3.1
139.11185	14.1
141.07024	3.4
145.10071	15.8
147.11647	17.7
149.09624	22.2
149.13257	3.3
151.11189	11.0
155.10622	3.8
159.11670	12.8
161.13229	11.8
163.11111	13.9
165.12752	3.7
173.09627	3.4
173.13293	3.7
177.12738	5.1
183.11565	3.9
187.11116	4.5
189.11192	14.7
197.13254	4.2
211.13161	3.7
219.17322	5.7
223.13295	8.6
238.88832	3.3
239.17957	6.5
247.20642	4.1
257.18942	8.7
261.22656	2.8
275.16846	5.2
275.19998	64.8
275.22919	4.6
276.20319	3.5
292.27618	3.5
293.11798	3.1
293.18027	3.1
293.21033	66.5
293.27667	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	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.36610	2.7
55.01855	4.3
55.05505	38.6
57.03431	6.0
57.07053	6.9
59.04994	2.8
67.05492	47.6
69.03415	9.8
69.07058	40.7
70.06555	2.8
70.56434	5.3
71.04979	8.6
79.05476	28.1
81.03382	5.7
81.07044	100.0
82.07374	4.6
83.04969	12.0
83.08621	19.6
85.06538	17.3
86.09660	3.4
91.05469	23.2
93.07018	37.5
95.04958	13.0
95.08591	72.5
96.08898	3.6
97.06519	12.6
97.10154	13.8
98.98382	2.6
99.08068	7.5
105.06999	26.8
107.08569	34.2
109.06509	10.5
109.10136	49.7
111.08083	7.8
111.11697	4.1
113.09676	5.6
115.05470	5.3
117.07024	6.5
119.08569	20.4
120.08088	11.5
121.06504	9.9
121.10121	34.5
123.04413	15.0
123.08044	10.3
123.11700	20.6
125.09622	19.4
126.59811	2.5
131.08527	11.6
133.06464	3.5
133.10121	17.1
135.08046	10.9
135.11693	11.7
137.05914	4.9
137.09633	13.0
137.13217	8.0
139.11191	11.7
143.08530	4.1
145.06407	3.1
145.10132	16.3
147.08052	3.1
147.11673	11.2
149.02348	4.2
149.09586	12.7
149.13260	11.4
151.11188	6.2
151.14813	4.8
153.09126	7.1
155.10570	2.7
157.10156	4.5
159.11699	11.9
161.09534	3.8
161.13255	5.3
163.11154	9.8
163.14835	7.3
165.09038	4.0
167.10603	3.8
171.11688	4.0
171.75870	2.6
173.13202	12.1
175.11154	6.9
177.16432	3.8
179.10695	7.7
181.12180	5.7
187.14816	8.6
189.12735	4.3
191.10722	3.4
191.14290	4.4
199.14877	3.1
201.12727	4.6
205.15764	3.4
209.04361	2.9
215.08113	9.5
215.14326	5.2
215.17801	3.5
219.06433	3.7
229.19592	5.5
233.15540	3.7
257.18906	8.9
261.05746	3.1
275.20020	49.2
276.08414	2.8
279.09991	3.4
284.23859	2.5
284.50211	2.6
293.11047	6.3
293.17664	3.2
293.21066	76.0
293.24429	5.2
293.28140	19.0
294.12482	5.8
294.21194	3.3
302.88611	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.97919	1.1
51.02410	1.1
53.03938	4.9
55.01863	14.2
55.05503	26.6
57.03429	2.7
57.07066	1.7
67.05493	45.4
67.06047	2.0
69.03422	3.1
69.07054	20.9
69.97005	2.0
69.97303	2.2
71.04985	2.4
71.13541	1.2
73.89117	1.4
77.03927	1.2
79.05480	47.9
79.53181	1.2
81.03399	10.7
81.07043	69.6
82.07352	1.6
83.04962	8.0
83.08611	15.9
85.06541	2.7
86.66418	1.3
91.05464	36.6
93.07028	35.1
95.01329	1.5
95.04946	16.2
95.08591	31.5
97.06515	15.4
97.10136	11.5
99.08075	1.8
101.06013	1.3
104.35482	1.3
105.07012	39.1
107.04939	11.4
107.08577	46.0
109.06506	18.2
109.10139	12.6
111.08090	3.3
117.07007	9.6
119.08551	21.8
121.06491	5.8
121.10123	18.4
123.08029	9.8
123.11726	6.1
125.09620	11.3
129.07019	4.0
130.07814	1.5
131.08537	16.3
133.10107	25.6
135.08051	6.0
135.11676	9.2
137.09579	7.2
139.11191	1.3
141.06908	2.0
143.08488	2.3
145.06454	1.3
145.10100	13.4
147.07971	1.3
147.11652	15.3
149.09613	18.5
149.13239	6.2
151.11160	12.9
155.08545	1.8
157.10078	3.8
159.11671	12.3
161.09575	2.1
161.13199	3.2
163.11163	12.0
163.14752	1.9
165.09082	9.6
165.12769	3.9
169.10139	3.0
171.11678	2.9
173.09561	2.2
173.13196	6.3
175.11183	4.7
175.14816	2.0
177.12694	6.0
179.10626	1.8
181.12239	2.0
183.11664	2.2
187.11192	3.8
189.11174	4.8
191.14371	2.1
196.50630	1.4
197.13191	3.8
201.12880	1.7
205.08612	1.4
211.14807	1.4
213.16342	1.6
229.19466	6.7
239.17868	6.8
247.20503	9.0
257.18991	14.2
275.20007	100.0
276.20334	4.8
293.08005	1.5
293.17697	1.7
293.21011	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	7.6
55.01856	7.4
55.05512	37.2
57.03428	11.6
57.07061	18.4
67.05498	59.0
67.25517	5.3
69.03420	7.1
69.07069	35.9
69.44234	22.4
71.04978	14.4
71.08620	6.3
79.05487	51.4
81.07053	100.0
83.05004	11.6
83.08614	16.5
85.06525	5.3
91.05482	44.5
93.07046	45.6
95.04968	46.5
95.08607	45.0
97.06517	19.0
97.10172	10.8
99.08091	6.2
104.51203	6.0
105.07037	44.5
107.04931	12.0
107.08598	35.8
109.06516	27.7
109.10152	22.2
111.04424	5.9
111.08073	11.1
117.07021	12.2
119.08579	36.0
121.06486	5.6
121.10128	22.4
122.03661	7.6
123.08070	19.2
123.11718	7.2
125.09620	9.0
131.08548	22.7
133.10127	22.5
135.08041	9.5
135.11678	9.9
137.05975	86.8
137.09621	28.7
143.08662	7.0
145.10132	18.6
147.11705	21.4
149.09645	26.4
151.11150	10.3
155.08577	6.2
159.11653	12.2
163.11197	10.3
171.11722	6.3
173.13268	11.0
177.05472	5.1
177.12688	6.8
197.99210	7.4
205.04897	6.2
209.11685	6.8
219.17531	8.0
223.13248	8.7
229.19395	5.9
237.11243	16.7
238.88869	20.6
257.18829	11.3
275.16837	9.2
275.19977	74.0
293.16614	5.0
293.17673	5.8
293.21100	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03942	9.2
55.01876	21.2
55.05493	25.2
59.43628	3.0
67.05499	40.8
69.03441	3.2
69.07060	36.2
73.99102	2.9
79.05477	50.8
81.03414	14.4
81.07047	47.1
83.04965	9.0
83.08617	12.1
85.06532	3.6
85.84599	2.9
91.05477	27.7
92.82613	3.6
93.07029	39.3
94.06550	4.3
95.04947	15.9
95.08587	25.1
97.06521	28.3
97.10154	12.3
98.97578	4.1
105.07018	39.2
107.04989	15.6
107.08569	63.6
109.06506	9.8
109.10166	14.5
111.08067	3.6
117.06998	6.4
119.08552	18.6
121.06506	7.5
121.10123	16.2
123.08041	10.1
123.11645	3.0
125.09646	17.1
126.68359	3.3
131.08553	13.1
133.10094	16.8
135.08026	6.3
135.11685	7.8
137.09628	10.1
141.07025	3.7
145.10048	16.7
147.08160	4.0
147.11650	10.2
149.09584	19.5
151.11198	9.3
157.10083	3.6
159.11687	9.6
161.13235	4.5
163.11217	8.0
165.09134	13.2
171.11591	3.5
173.13245	4.8
177.12730	9.1
179.14409	4.8
187.11235	8.1
189.11189	7.3
199.15030	3.9
220.16754	4.3
229.19444	6.2
238.88870	12.1
247.20598	13.5
257.19064	10.5
265.22711	6.8
275.20032	100.0
276.20374	6.3
293.11554	7.9
293.21075	31.2
293.27701	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	293.2105
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03936	2.2
55.01878	2.1
55.05500	10.5
57.03437	12.2
57.07061	10.2
67.05495	24.0
69.03401	2.7
69.07049	10.6
71.44796	2.5
79.05478	25.0
81.03419	2.1
81.07047	40.5
83.04990	4.7
83.08592	4.8
91.05463	19.1
93.07028	21.7
95.04980	12.4
95.08585	19.0
97.06545	3.8
97.10171	3.1
99.04458	3.4
105.07018	18.1
107.04944	6.3
107.08586	13.1
109.06499	11.8
109.10153	6.1
111.04444	8.4
111.08057	2.4
117.07004	5.6
119.08559	14.4
121.06468	2.3
121.10136	9.3
123.08044	5.2
124.16871	1.8
131.08536	10.9
133.10051	11.5
135.08057	3.8
135.11659	4.4
137.09584	5.3
145.10135	8.1
147.11635	4.3
149.09599	6.3
151.11218	3.9
153.05453	3.3
159.11722	5.9
161.13252	4.7
163.03972	2.7
163.11165	3.5
163.94157	1.9
173.13208	3.8
175.14839	2.2
178.06107	2.1
181.05011	6.8
185.13271	5.6
191.10677	5.1
195.10170	3.1
201.16389	8.8
203.14211	3.7
208.37244	2.0
209.11731	8.5
219.03902	2.0
219.10123	2.1
219.17398	100.0
220.17763	3.2
221.15201	2.4
230.68152	2.0
237.11174	21.0
257.18982	5.2
275.19980	24.4
293.11722	3.1
293.21072	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	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01862	11.9
55.05504	52.2
57.07064	3.9
65.00695	2.9
65.48205	3.4
67.05499	34.8
69.03411	4.0
69.07058	11.9
71.04990	3.6
79.05484	70.8
81.07052	25.5
81.13544	2.9
83.04974	10.2
83.08600	19.5
91.05470	22.1
93.07031	37.7
95.04970	8.8
95.08611	8.0
97.06519	13.6
97.10159	30.1
105.04468	4.2
105.06993	20.4
107.04932	41.3
107.08575	63.2
108.08976	2.9
109.10139	15.5
117.07009	8.4
119.08571	15.3
121.10106	18.6
123.08093	3.6
123.11697	7.7
125.09605	28.5
131.08577	7.5
133.10083	18.7
135.08006	9.8
135.11636	4.1
143.63469	3.2
145.10138	7.9
147.11661	9.2
149.09592	65.5
159.11693	7.7
161.13268	6.4
171.10152	5.2
173.11778	4.9
173.13203	6.1
184.27165	3.0
187.13258	4.7
189.11209	27.5
201.43904	3.1
229.19453	10.4
257.18970	20.1
275.20038	100.0
293.21008	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	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.84073	2.0
53.03932	3.6
55.01855	6.6
55.05501	27.0
57.03429	6.4
59.04988	4.6
65.03934	2.2
67.05490	27.7
69.03413	11.3
69.07065	30.7
69.28765	8.6
69.29182	4.3
71.04986	12.2
73.09685	2.3
75.04451	2.6
79.05476	31.6
81.07043	50.4
83.04969	21.6
83.08569	11.3
85.02908	19.2
85.06551	12.0
91.05470	19.2
93.07034	34.7
95.04951	21.2
95.08593	34.7
96.60683	2.2
97.06509	15.3
97.10149	5.2
101.06037	3.5
105.03395	2.4
105.07012	30.2
107.04936	7.1
107.08578	33.7
109.06496	17.2
109.10130	24.8
111.04447	2.7
111.08060	9.2
113.05997	3.2
113.09615	7.6
115.05578	2.2
117.07004	10.2
119.08566	27.9
121.06500	18.6
121.10123	37.8
123.04408	18.0
123.08044	16.7
123.11678	10.0
125.09591	22.8
129.05469	6.9
131.08543	11.8
133.10110	18.8
135.08034	27.1
135.11696	11.0
137.06064	2.7
137.09584	13.8
139.11166	10.6
145.10089	17.1
147.08000	5.3
147.11646	14.1
149.02298	3.0
149.06013	3.4
149.09598	17.4
149.13252	3.5
151.11177	7.2
153.05490	3.5
153.09123	9.9
155.08572	2.3
157.10133	5.1
159.10550	2.6
159.11635	14.0
161.02319	2.8
161.09685	5.9
161.13240	2.7
163.03857	4.6
163.07504	2.6
163.11140	18.0
163.14795	3.7
165.09105	6.3
167.10689	2.8
171.11646	3.7
173.09569	3.6
173.13246	14.1
175.11179	7.8
175.14738	4.1
177.12816	6.3
179.10666	9.3
181.12213	7.0
185.13287	2.4
187.11136	6.4
187.14783	8.3
191.14272	8.7
199.14786	3.6
201.12692	5.9
205.12202	3.1
205.15825	2.9
207.02837	17.1
207.13725	3.1
209.04456	2.8
215.14221	4.2
215.17903	5.0
217.15947	5.6
219.02899	16.0
219.13774	5.2
229.19412	5.6
231.17154	2.6
233.04420	10.8
233.15198	3.4
239.17921	4.0
247.20471	2.3
250.06395	2.5
257.18970	14.9
263.20142	2.9
275.08936	16.2
275.20044	71.9
293.10144	24.7
293.17520	5.7
293.21057	100.0
293.24405	5.7
294.21317	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	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03944	2.6
55.01858	4.7
55.05502	13.4
55.37643	1.4
57.03428	3.0
57.07064	1.7
58.28363	1.3
59.19032	1.2
65.03909	1.7
66.50125	1.3
67.05497	30.5
67.45235	1.3
69.03433	1.8
69.07057	25.7
71.04993	2.0
77.55673	1.1
79.05479	20.7
81.07045	32.6
83.04977	6.8
83.08607	5.8
85.06554	1.6
91.05463	20.6
93.07033	30.1
95.04958	9.9
95.08592	22.5
97.06520	3.4
97.10155	2.8
105.07016	28.4
106.90149	1.3
107.04934	6.5
107.08581	15.3
109.06490	13.0
109.10130	9.2
111.08093	1.6
113.16134	1.2
115.05468	1.4
116.98566	1.5
117.06996	6.6
119.08575	12.6
121.06494	9.9
121.10136	9.5
123.08031	6.2
123.11696	3.0
129.06964	2.1
131.08559	12.5
133.06439	3.4
133.10104	15.4
135.08046	4.8
135.11664	5.9
137.09592	3.1
143.08565	2.7
145.06485	2.9
145.10098	12.0
147.08038	3.2
147.11678	9.7
149.09610	4.9
149.13239	1.8
151.11150	6.8
155.08514	1.7
157.10094	2.8
159.08047	1.6
159.11682	7.8
161.09599	3.3
161.13248	2.7
163.11168	4.0
171.11667	2.3
173.09595	2.5
173.13249	4.5
175.11143	4.1
177.12677	1.8
185.13217	1.5
187.11008	1.8
191.14296	4.3
197.13173	2.0
201.12772	2.0
207.13812	3.7
219.13776	5.0
229.19518	2.7
233.18755	1.5
239.17894	3.3
247.20502	2.1
257.18991	17.3
275.20023	100.0
276.20358	3.4
293.11667	1.9
293.21045	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01867	6.5
55.05503	17.6
57.03417	1.1
57.07064	2.7
65.03941	1.7
67.05490	31.3
69.03429	1.8
69.07058	26.1
69.07435	1.4
69.55618	4.4
71.04969	3.1
79.05479	21.7
81.03394	1.2
81.07044	34.6
83.04969	8.8
83.08606	6.6
85.06522	1.7
86.59530	0.9
91.05463	20.3
93.06440	1.6
93.07025	28.3
95.04949	9.0
95.08595	22.3
97.06509	5.4
97.10161	2.8
105.07012	26.0
107.04934	7.6
107.08575	15.5
108.08875	1.2
109.06506	10.8
109.10136	9.0
111.04442	1.2
111.08059	2.2
117.06990	8.4
119.08577	14.1
121.06479	10.3
121.10129	8.3
123.08060	7.0
123.11689	4.1
125.09605	2.4
129.06956	1.4
131.08540	14.7
133.06503	3.5
133.10088	16.3
135.08052	3.9
135.11708	4.4
137.09621	2.8
137.13202	1.4
143.08551	2.4
145.06445	1.8
145.10091	12.7
147.08029	3.2
147.11656	12.3
149.09608	5.4
149.13242	3.7
151.11118	8.5
157.10114	3.0
159.08057	1.9
159.11697	6.2
161.09570	3.1
161.13242	3.8
163.11165	5.7
163.14867	1.4
165.12798	1.2
171.11674	2.2
173.09596	1.9
173.13274	4.6
175.11154	2.9
177.12674	2.4
178.06241	1.5
179.14323	1.4
181.65283	1.0
183.11646	2.1
185.13246	1.4
187.11108	2.3
187.14783	1.9
189.12775	1.4
191.14304	3.6
197.13254	1.2
201.12704	2.6
207.13826	3.2
215.17946	2.1
219.13710	6.2
229.19466	1.4
233.15402	1.1
237.14789	1.3
239.17932	4.4
247.20551	3.4
257.18942	13.3
258.19330	1.5
275.20004	100.0
276.20355	3.4
293.21060	24.7
294.21274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03932	4.3
55.01862	12.4
55.05511	33.5
57.03425	11.2
57.07064	5.4
65.03910	4.1
67.05493	44.6
69.07056	31.9
69.17880	7.5
69.18288	14.9
71.04988	4.2
72.08164	3.6
78.68823	3.1
79.05479	52.9
79.26994	3.3
81.03410	10.9
81.07051	59.7
83.04971	10.0
83.08596	17.1
85.06533	4.8
85.11391	3.3
91.05445	31.6
93.07027	49.9
95.04958	26.3
95.08599	42.4
97.06522	17.0
97.10154	13.3
105.07018	38.5
107.04951	15.3
107.08576	52.8
109.06512	24.5
109.10160	15.0
111.08053	7.8
116.98647	4.6
117.07011	13.9
118.61147	3.8
119.08544	29.0
121.06494	4.8
121.10115	18.2
123.08054	9.8
125.09627	10.5
129.07013	4.8
131.08549	22.3
133.10109	28.4
135.08055	12.1
135.11667	8.2
137.09647	7.7
143.08589	7.2
145.10144	15.9
147.11652	17.4
149.08623	3.4
149.09593	20.8
149.13206	4.3
151.11165	7.9
159.11638	12.2
161.13226	6.5
163.03944	6.9
163.11139	9.7
165.09105	5.8
167.10640	3.9
171.11639	4.7
173.13248	4.5
177.05406	23.9
177.12708	6.2
178.06154	20.3
187.11124	6.8
187.14682	7.2
190.36526	3.5
205.15906	4.3
206.58737	3.7
219.17389	20.1
229.19507	10.5
233.11655	28.6
233.36182	3.8
238.88918	5.7
247.20526	6.5
257.19055	16.7
275.20020	100.0
293.11652	12.1
293.21017	57.8
293.27753	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	293.2107
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
52.10404	3.2
53.03930	5.0
55.01853	12.6
55.05504	96.2
57.03423	12.6
57.07055	4.9
58.98125	3.1
59.04981	5.2
67.05495	100.0
69.03414	16.6
69.07057	40.9
69.37720	14.9
69.56982	2.7
70.40762	2.5
71.04980	10.1
72.02196	2.5
72.08118	2.8
77.49144	2.5
77.72897	3.3
79.05482	77.6
79.12014	3.2
80.05812	2.9
81.03411	17.9
81.07043	83.3
83.04955	14.4
83.08602	41.9
85.06521	3.9
91.05464	52.0
93.06451	3.8
93.07030	66.4
95.04951	60.2
95.08019	4.4
95.08595	55.6
97.06517	14.5
97.10161	28.4
98.22627	3.6
101.06051	3.7
105.04520	3.7
105.07002	48.0
107.04932	9.2
107.08582	66.9
109.06501	17.2
109.10129	43.5
111.08092	6.6
117.06999	16.5
119.08559	41.5
121.06464	7.1
121.10117	36.5
123.08065	14.9
123.11684	7.5
125.09590	19.0
129.06937	3.7
131.08536	17.5
133.10103	24.8
135.07990	6.7
135.11667	9.0
137.05968	10.9
137.09593	51.6
137.10622	3.3
139.11110	14.1
145.10115	20.5
147.11679	21.5
149.09598	15.8
149.13170	3.8
151.11150	5.7
157.10135	6.3
159.11641	14.2
161.13231	8.6
163.11127	11.9
171.11728	3.3
173.13217	7.8
177.12799	6.9
183.11659	4.5
189.11200	13.5
193.12231	4.0
199.13055	3.4
203.12746	7.2
208.00456	2.9
209.11665	7.6
213.16287	3.2
223.13255	11.0
229.19609	5.6
233.15402	5.1
237.11142	8.4
238.88765	3.6
239.18051	3.9
247.20479	7.8
251.16472	3.1
257.18945	9.4
275.20023	84.7
293.17813	2.5
293.20972	61.3
293.23929	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	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.44252	4.1
53.03931	10.7
55.01867	100.0
55.05257	5.6
55.05504	81.9
57.03432	9.8
57.07074	23.2
62.66002	4.2
67.05492	74.5
69.03418	4.4
69.07063	37.2
69.60878	16.6
71.08617	7.5
79.05485	68.2
81.03407	36.9
81.07046	92.5
83.04974	29.3
83.08598	27.1
84.10505	4.7
85.02893	4.9
85.06522	14.4
91.05464	49.9
93.07037	56.4
95.04955	74.8
95.08593	65.8
97.02906	7.8
97.06522	12.2
97.10151	19.0
98.22740	7.9
99.12816	5.3
105.07018	40.2
107.04948	46.7
107.08574	32.6
109.06520	24.3
109.10158	23.9
111.04437	18.5
111.08068	9.1
117.07002	19.8
119.08553	27.3
121.06494	18.9
121.10099	23.8
121.54628	5.4
123.08053	32.2
125.09618	97.6
131.08580	21.6
133.10083	28.9
135.08023	14.8
135.11700	9.8
137.09586	43.8
139.11137	5.9
143.08543	8.7
145.10120	18.0
147.08080	6.1
147.11702	11.6
149.09589	29.9
149.13235	9.1
151.11183	31.0
153.05473	5.0
157.10081	4.8
159.11696	10.5
161.13283	9.7
163.11147	22.8
163.14787	5.8
167.10670	7.5
171.11755	4.6
173.13293	11.3
177.09085	5.5
177.12682	21.9
179.10570	4.7
181.04915	9.4
181.12247	7.8
187.11160	13.0
191.10643	17.9
191.14291	12.1
193.12169	8.1
209.11711	23.4
229.19490	10.1
237.11247	24.9
245.97086	4.5
247.07422	5.0
247.20535	11.6
257.19116	23.0
275.20062	61.9
293.11761	11.8
293.21085	76.0
293.37823	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	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03947	1.6
55.01872	0.7
55.05503	10.9
57.07074	1.7
62.32280	0.6
65.03935	2.6
66.09667	0.6
67.05495	99.5
68.05822	1.4
69.03431	0.7
69.07060	11.2
69.88483	2.0
69.88856	0.7
77.38943	0.6
79.05483	17.9
81.07044	100.0
82.07381	1.9
83.04972	1.7
83.08604	5.3
85.06533	2.8
85.21152	0.6
91.05469	6.5
93.07028	15.7
95.04945	2.7
95.08591	78.1
96.08910	0.9
97.06519	1.9
97.10155	2.7
99.08071	1.1
101.06020	0.7
105.04519	0.8
105.07016	5.1
107.08577	9.7
109.06488	1.5
109.10142	27.6
110.10478	1.1
111.08054	1.9
115.07552	1.2
117.06969	1.6
119.08569	3.6
121.10133	9.8
123.08024	0.8
123.11683	14.3
124.12050	1.0
125.05988	0.7
125.09579	1.3
131.08548	6.8
133.10107	3.9
135.08018	1.6
135.11664	6.8
137.09572	1.5
137.13231	8.5
139.11183	0.7
145.10086	3.7
147.11699	3.2
149.09608	2.0
149.13260	4.2
151.11160	1.2
151.14859	3.0
153.12773	0.8
159.11671	4.0
161.13223	2.8
163.11142	2.1
163.14778	2.6
165.12688	1.5
165.16345	0.7
168.55409	0.6
173.13225	4.7
177.12706	2.4
177.16403	1.1
178.94794	0.7
179.14270	1.4
187.14764	3.0
191.14267	1.7
195.13838	0.6
201.16295	0.9
209.11745	0.7
209.15248	1.2
219.20959	1.5
223.16730	1.1
237.11116	2.6
237.18233	0.8
243.21136	3.0
261.22095	5.0
293.21051	2.4
293.24576	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	293.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13150	3.0
55.05496	13.3
57.07064	5.3
67.05493	97.9
69.07059	13.8
69.28062	15.9
79.05486	18.7
81.07046	100.0
83.04987	4.4
83.08610	4.2
91.05453	7.9
93.07051	17.8
95.04984	5.3
95.08598	74.0
95.09214	5.0
97.06581	3.1
101.05962	3.1
105.07047	5.2
107.08582	11.2
109.06483	3.6
109.10137	33.4
109.64407	3.0
111.04453	3.1
111.08060	4.3
116.17258	3.2
117.06973	4.6
119.08570	9.1
121.10128	9.1
123.08047	30.8
123.11672	12.4
131.08556	8.1
131.95253	3.2
135.11667	6.4
137.09662	4.5
137.13196	4.9
145.10159	3.7
147.11603	3.1
149.09610	3.7
149.13243	4.4
151.11073	4.7
151.14833	3.3
151.95569	3.1
153.05528	4.1
159.11519	4.1
162.99899	3.2
167.10597	3.1
173.13171	4.3
177.16290	4.0
191.10661	3.9
209.11668	4.8
232.76488	3.2
237.11195	16.1
257.22690	4.7
261.22137	7.9
293.21051	18.9
293.24585	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	294.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68590	0.6
55.01863	1.1
55.05484	1.4
66.61947	0.6
67.05474	1.4
69.07050	1.2
79.05482	1.4
81.07038	1.9
83.08612	0.7
91.05479	1.7
93.07037	0.9
95.04952	1.6
95.08581	1.6
105.07020	0.9
107.08588	1.2
109.10143	0.6
115.19396	0.6
119.08576	1.0
142.51410	0.7
168.05676	0.8
178.97365	0.6
182.09427	0.6
193.95001	0.6
195.06723	1.8
195.52148	0.5
206.05965	3.5
207.06712	1.3
208.07184	0.6
223.06241	1.5
235.06268	6.3
236.06944	5.7
250.08495	0.8
251.05733	33.5
252.06371	2.0
266.08029	4.7
267.05414	0.7
276.20352	1.1
293.21036	1.8
294.07538	100.0
295.07864	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	294.0758
Annotation	Piperumbellactam D
Peak:m/z	Relative Intensity
55.01847	0.3
55.05508	0.4
57.07071	0.2
67.05514	1.1
69.07044	0.3
69.47409	0.7
69.47810	0.3
70.01435	0.2
79.05484	1.3
81.03406	0.4
81.07035	1.2
83.08620	0.3
91.05454	0.5
93.07018	0.7
95.04945	0.9
95.08577	0.5
97.06487	0.2
97.10131	0.4
98.22607	0.3
105.07020	0.7
107.08570	0.8
109.06499	0.5
109.10116	0.3
119.08586	0.5
121.10156	0.2
125.09608	0.3
131.08490	0.4
131.15742	0.2
133.10062	0.3
142.46278	0.2
148.67770	0.2
149.09550	0.2
151.11151	0.4
159.11636	0.3
164.11737	0.2
168.05685	0.8
177.12837	0.2
179.07159	0.3
181.06456	0.2
195.06732	1.6
206.05983	2.4
207.06749	2.5
222.09081	0.3
223.06271	1.6
234.05499	0.4
235.06244	10.4
236.06992	5.7
238.04916	0.3
239.05774	0.5
249.07848	0.6
250.08601	0.7
251.05745	32.6
252.06375	3.0
262.04962	0.4
266.08087	4.5
267.05408	1.1
275.19977	1.3
276.20334	0.6
293.20911	0.4
294.07556	100.0
295.07944	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	294.0757
Annotation	Piperumbellactam D
Peak:m/z	Relative Intensity
55.05482	1.3
67.05464	1.5
69.07043	0.6
70.07106	0.9
73.12594	0.3
75.16483	0.3
79.05489	0.8
79.73669	0.4
81.07022	1.2
83.08598	0.5
84.08104	0.4
89.84957	0.3
91.05441	0.7
93.06996	0.7
95.04942	0.6
95.08561	1.0
98.23549	0.4
105.06976	0.6
107.08559	0.9
119.08513	0.6
125.09584	0.6
138.49043	0.4
168.05742	0.6
182.15280	0.4
195.06750	1.4
196.13431	0.5
206.05980	2.4
207.06761	0.9
210.14780	0.4
223.06241	2.1
234.07387	1.4
235.06166	6.2
235.08199	1.4
236.07016	5.2
251.05736	32.0
252.06328	2.9
266.08084	4.7
267.05222	1.2
275.20023	0.9
293.20950	0.9
294.07462	100.0
294.14401	4.6
295.07809	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	294.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38794	2.9
50.41773	3.2
54.02169	3.0
55.01875	4.7
56.96554	15.2
57.03412	7.8
61.02911	9.1
61.68604	3.2
64.03497	3.2
69.03422	40.4
69.63809	14.1
72.08145	4.7
73.02911	8.2
81.03396	11.1
83.38957	4.1
84.08134	32.2
85.02895	97.6
86.09708	8.0
87.04479	8.2
91.03968	7.0
94.14010	3.2
97.02879	63.0
98.97593	15.2
99.04436	8.0
99.97790	3.3
109.02856	4.8
110.97520	5.5
111.04456	5.5
115.03925	100.0
116.98604	4.9
127.03922	31.6
132.10156	4.8
133.04915	3.4
145.04936	40.4
147.11179	3.4
163.06006	9.1
199.06056	6.3
216.98709	4.9
234.99799	8.0
235.03502	3.4
237.02800	4.5
241.07127	3.7
258.13373	5.6
259.08093	16.5
270.99939	4.2
276.14417	6.8
277.09122	5.4
294.18079	5.5
313.00705	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	294.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51218	3.4
55.01860	5.2
58.88889	4.1
61.02940	3.3
63.77304	4.4
69.03429	30.8
69.92124	8.7
69.92452	3.4
85.02898	20.8
97.02878	47.8
108.04479	5.8
115.03911	100.0
127.03923	9.2
133.04974	7.7
145.04980	3.8
161.99548	15.5
178.97147	3.8
259.08151	8.1
273.86209	4.0
294.06433	6.5
294.11655	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	294.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96170	5.1
69.03421	30.7
69.26785	24.7
78.74969	5.3
83.61628	5.0
84.08156	5.2
85.02890	13.3
97.02890	44.2
98.23452	7.9
105.20895	5.2
115.03922	100.0
124.82812	5.2
151.83043	5.2
173.41681	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	294.2061
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05501	0.3
57.07061	0.6
58.02938	0.4
58.07400	0.3
61.31012	0.3
66.04699	0.2
67.05476	0.7
69.03431	0.2
69.07053	0.4
70.73106	0.5
71.08620	0.3
79.05473	0.7
81.07050	2.3
91.05474	0.8
93.06995	0.3
94.04181	2.4
95.04985	0.3
105.77522	0.3
107.04944	0.6
109.06551	0.5
122.03629	6.7
123.11697	1.7
137.05957	100.0
138.06305	1.7
158.15399	1.3
170.15392	1.8
170.44308	0.2
171.14439	0.3
176.55258	0.3
210.12140	0.3
238.11621	0.7
253.38332	0.2
294.20834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
57.07061	0.9
59.41992	0.3
66.04716	0.5
67.05483	1.1
69.07051	0.4
71.08618	1.2
71.10137	0.3
79.05483	1.4
81.03398	0.4
81.07041	1.6
83.08601	0.4
85.06556	0.3
87.20395	0.3
88.07581	0.2
91.05459	1.2
93.07020	0.8
94.04182	2.8
95.04951	0.4
95.08595	0.6
97.10152	0.7
105.22707	0.3
106.40959	0.3
107.04923	0.4
107.08562	0.4
109.06498	0.8
109.10119	0.6
122.03625	6.5
123.08119	0.3
123.11678	0.4
123.84782	0.3
125.09630	0.6
135.11674	0.4
137.05956	100.0
138.06273	1.8
141.12718	3.2
150.05183	0.3
151.11113	0.3
151.45488	0.3
158.15373	1.4
161.13150	0.4
170.15370	0.6
189.11122	0.4
191.28769	0.3
277.21606	1.1
294.20831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
57.03434	1.4
61.02901	0.6
63.02363	0.4
69.03416	2.6
69.66981	0.8
71.01318	0.5
71.04977	0.5
72.90220	0.3
73.02907	2.5
74.52473	0.3
77.03884	0.3
79.05487	1.6
81.03387	1.1
85.02898	4.2
87.04452	0.6
88.03979	0.3
89.03902	6.9
91.05471	0.8
93.06998	0.5
95.04964	0.9
97.02858	1.7
97.06570	0.3
98.97540	0.8
99.04427	0.3
102.05495	0.3
105.06986	0.6
107.04929	2.5
107.08536	0.4
108.00198	0.3
109.02814	0.3
109.06487	0.4
115.03912	2.1
116.98616	0.9
117.02553	0.6
117.03363	9.0
120.08085	0.6
127.03910	0.8
131.08508	0.3
133.04951	1.7
133.06491	0.4
133.10075	0.5
134.99597	0.6
135.04396	19.1
145.02834	14.0
145.04932	1.0
145.06479	0.4
146.05997	0.7
151.03865	1.1
160.46806	0.3
162.10275	0.4
163.03877	100.0
164.04230	2.0
167.04588	0.3
205.04921	0.5
209.17882	0.3
226.49693	0.3
241.03752	0.5
283.04843	0.5
295.04605	0.4
295.07852	0.8
295.11224	0.5
295.16068	0.4
296.15964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0811
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
55.01864	1.2
55.52205	0.5
57.03421	0.8
57.09457	0.5
61.02925	0.6
62.84185	0.5
69.03423	81.6
70.03749	1.0
70.59282	0.7
73.02915	1.8
79.05489	1.5
81.03411	1.1
85.02903	3.4
87.04483	0.9
89.03901	8.3
91.05472	0.6
95.04974	0.9
97.02882	86.0
98.03233	1.6
99.54256	0.5
103.03944	0.6
107.04932	2.8
109.06542	0.8
115.03918	73.2
116.04285	1.1
117.03362	12.5
133.04956	1.7
133.06454	0.7
135.04396	22.3
136.04729	0.5
145.02834	14.8
145.04935	0.7
151.03896	1.4
163.03888	100.0
164.04225	2.9
181.04932	16.8
182.05347	0.7
214.89558	0.6
221.05983	0.8
295.04962	1.0
295.08105	18.5
296.08588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01875	4.9
55.05504	9.1
55.15572	4.5
56.05835	4.5
56.35896	4.6
57.03429	23.5
67.05506	11.4
68.78638	4.6
69.03419	100.0
69.07045	8.5
69.27615	24.4
71.01360	6.3
73.02909	10.6
77.69028	5.3
79.05482	8.6
81.03409	22.2
81.07050	33.8
83.04977	8.5
85.02895	69.4
87.04459	34.1
91.05451	6.3
93.07047	15.1
95.04932	9.2
95.08587	17.8
97.02879	63.2
99.04447	16.3
103.03910	9.5
105.07008	13.0
107.08585	21.8
109.10139	16.7
115.03902	50.8
119.08525	6.2
121.10114	11.6
123.08055	6.2
123.11681	7.1
127.03901	11.3
131.08548	7.3
133.04959	56.1
133.10075	7.3
135.11653	10.1
136.11954	5.9
145.04930	24.9
147.11667	9.8
149.13232	8.7
163.11194	7.6
169.04950	7.0
219.23788	4.9
221.05879	5.6
277.09131	7.7
277.21689	6.2
295.06003	14.6
295.09564	10.3
295.15240	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03938	2.8
53.83657	1.8
55.01864	17.7
57.03430	31.0
61.02925	18.3
69.03424	39.5
70.70054	3.9
71.01347	6.4
71.04998	3.1
73.02911	47.5
79.60700	1.7
81.03408	9.2
85.02897	100.0
87.04475	8.9
91.03963	5.2
97.02885	48.9
99.04461	4.9
103.03967	6.3
109.02862	6.3
110.60707	2.0
115.03918	25.2
127.03906	21.3
133.04951	44.6
145.04942	16.8
163.06023	5.6
163.07315	2.0
175.03444	2.0
187.33408	2.0
221.05933	4.9
295.06192	3.6
295.09570	3.6
295.14612	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51464	1.9
50.99171	2.4
53.28428	1.8
55.01876	3.1
55.05495	4.0
56.94483	1.9
57.03437	16.2
59.04994	3.1
61.02915	2.9
67.05492	4.6
69.03423	82.2
69.03801	4.0
69.07056	3.9
71.01331	3.3
71.04999	2.9
73.02904	5.4
79.05466	4.0
81.03416	14.6
81.07028	4.8
85.02895	48.3
87.04457	38.7
91.05474	2.8
93.07040	4.5
95.04961	4.3
95.08611	2.9
97.02888	52.3
99.04453	11.7
103.03944	7.0
104.08292	2.6
107.04900	2.7
107.08612	2.7
109.02877	4.4
109.10162	2.6
111.04424	3.2
113.02407	2.3
115.03917	43.6
117.05505	2.6
127.03928	10.7
133.04958	40.5
139.03963	2.2
145.04945	18.8
148.03925	7.8
161.04431	2.8
163.06258	7.6
169.04962	7.0
192.22694	2.2
208.07527	2.2
223.06070	2.4
236.07033	100.0
241.07181	3.3
259.08173	2.5
277.09042	4.2
277.21738	2.8
295.09763	5.8
295.15140	39.4
296.05472	6.1
296.08987	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	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03949	1.2
55.01866	6.1
56.04996	0.5
56.71357	0.5
56.96557	23.5
57.03429	9.0
59.04993	1.7
61.02923	7.1
67.05496	1.3
68.05022	1.9
69.03419	56.6
69.65092	0.7
69.65435	1.7
70.03760	1.6
70.23270	0.5
71.01347	5.4
71.04977	3.6
73.02907	17.5
79.05479	0.8
80.04993	0.7
81.03403	5.8
83.00802	0.7
83.01315	1.3
84.04483	4.1
84.08134	4.4
84.96026	4.3
85.02897	26.5
85.08488	0.6
86.03218	1.3
87.04462	5.7
87.10014	0.6
87.28482	0.5
89.02393	3.3
90.01550	1.5
91.03965	1.1
91.25291	0.6
92.50150	0.5
93.92905	0.5
95.00790	0.6
95.04962	0.9
96.01524	1.0
96.04465	0.7
97.02881	100.0
97.96817	1.7
98.03193	3.1
98.23460	1.0
98.97570	30.7
99.04453	2.9
101.00770	2.0
101.02390	1.2
102.01531	0.7
102.97015	0.6
104.01281	1.8
104.04968	0.6
106.06606	0.6
108.01531	0.6
108.04464	0.6
108.77905	0.6
109.02881	4.3
110.01275	5.2
110.97551	12.7
112.99115	2.0
114.01532	1.6
114.05511	1.5
115.03915	56.6
116.01250	2.1
116.04260	5.8
116.98607	11.2
117.02061	1.0
119.01790	12.1
120.08054	1.0
122.01211	0.9
122.06027	0.8
123.02016	0.8
123.04426	0.7
124.99065	3.8
125.01738	2.7
127.00655	0.9
127.03918	5.7
128.01341	1.2
128.02289	6.6
128.98592	9.8
129.02061	2.0
130.02827	1.0
130.04991	2.9
130.06516	0.7
130.08597	1.1
131.00127	2.0
131.01782	3.2
131.52216	0.6
132.02565	0.9
132.04401	1.4
133.04951	40.9
133.07573	2.7
134.99646	2.4
135.02051	0.8
136.07539	3.5
137.01755	3.4
138.02570	4.0
139.01540	1.7
140.02283	5.1
140.98573	13.4
142.04971	1.0
143.00137	9.1
143.01752	1.8
144.02541	4.0
144.98036	2.0
145.01549	1.5
145.04895	2.5
146.02281	7.8
146.99609	4.7
147.03084	1.9
149.01236	0.5
150.05479	0.9
151.50108	0.6
152.02284	6.0
152.07083	1.1
152.98521	4.9
153.03070	11.7
154.02037	1.5
154.08607	13.0
155.00150	1.3
155.02823	1.9
158.02258	8.7
158.99644	13.8
160.02031	0.8
161.01208	7.0
161.02811	5.1
162.99130	1.3
164.07106	1.0
164.53864	0.7
167.02817	70.2
167.52988	1.6
168.03520	0.8
169.07616	1.1
170.03329	0.9
170.99632	10.3
171.09113	1.7
173.01196	3.1
173.02850	3.1
174.99115	0.7
176.03340	35.0
176.53453	1.1
177.00681	6.1
178.53587	1.1
179.02745	1.3
182.03331	79.8
182.53517	2.0
182.99612	4.0
185.01201	0.8
185.07043	0.6
186.99182	1.2
187.08682	1.1
188.03290	1.1
189.00676	7.5
191.03860	30.6
194.03310	0.7
194.99586	1.1
199.08612	1.6
201.00668	6.7
201.04047	1.0
202.54758	2.9
203.02203	0.9
203.04028	0.7
207.01788	1.4
209.03897	3.0
213.00667	2.0
215.03860	33.8
215.08208	1.1
215.11679	0.6
215.54019	0.9
218.04411	0.9
219.01732	21.2
224.04407	7.7
225.00714	2.4
225.02713	0.7
227.02260	1.0
230.04378	2.0
231.01585	0.8
232.10773	0.7
233.12823	0.9
236.04391	1.6
237.00885	0.8
237.02780	23.1
239.04910	54.5
239.55040	1.3
243.01775	1.6
243.07611	1.3
255.03914	1.3
259.10626	0.6
261.02783	1.5
270.99173	0.6
273.03018	0.7
277.11774	7.7
279.04077	0.7
279.09750	1.3
285.02844	1.6
295.12781	6.4
296.06543	11.8
296.12213	4.6
303.03885	1.3
315.03873	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03943	0.8
55.01613	1.3
55.01867	19.6
57.03431	40.2
57.04545	1.3
59.05001	5.6
61.02921	17.3
69.03420	44.0
69.38181	3.5
70.03756	1.0
71.01345	9.3
71.04991	1.5
73.02909	54.3
74.03207	1.0
75.04456	0.9
79.05489	1.4
81.03408	6.7
85.02895	100.0
86.03222	1.3
86.09713	1.8
87.04459	6.8
89.03909	2.6
91.03944	4.7
91.05465	1.5
94.04047	2.5
95.04942	1.5
96.04463	0.8
97.02882	48.4
98.03185	0.9
98.23438	1.5
99.04424	4.6
101.02359	0.9
103.03947	4.8
105.07031	0.8
107.04981	1.8
109.02858	7.0
115.03919	28.5
116.04239	0.9
117.03352	3.3
120.08116	1.0
123.06685	2.1
126.05509	0.9
127.03895	21.0
129.06982	1.0
133.04955	41.9
135.04393	6.7
136.07576	3.3
145.02933	4.3
145.04933	20.1
150.07735	90.3
151.03885	0.8
163.03886	29.2
163.06093	3.5
163.07875	0.9
164.04280	1.1
165.07001	2.1
166.99709	1.0
199.06084	0.9
217.07062	1.0
220.07442	1.1
221.05940	7.4
241.07098	2.0
249.05508	3.8
250.06091	1.0
267.06482	2.1
277.04987	0.9
277.15173	1.0
295.05838	7.2
295.11362	1.1
295.16574	6.5
296.06274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01866	6.1
56.04996	0.5
56.71357	0.5
56.96557	23.5
57.03429	9.0
59.04993	1.7
61.02923	7.1
67.05496	1.3
68.05022	1.9
69.03419	56.6
69.65092	0.7
69.65435	1.7
70.03760	1.6
70.23270	0.5
71.01347	5.4
71.04977	3.6
73.02907	17.5
79.05479	0.8
80.04993	0.7
81.03403	5.8
83.00802	0.7
83.01315	1.3
84.04483	4.1
84.08134	4.4
84.96026	4.3
85.02897	26.5
85.08488	0.6
86.03218	1.3
87.04462	5.7
87.10014	0.6
87.28482	0.5
89.02393	3.3
90.01550	1.5
91.03965	1.1
91.25291	0.6
92.50150	0.5
93.92905	0.5
95.00790	0.6
95.04962	0.9
96.01524	1.0
96.04465	0.7
97.02881	100.0
97.96817	1.7
98.03193	3.1
98.23460	1.0
98.97570	30.7
99.04453	2.9
101.00770	2.0
101.02390	1.2
102.01531	0.7
102.97015	0.6
104.01281	1.8
104.04968	0.6
106.06606	0.6
108.01531	0.6
108.04464	0.6
108.77905	0.6
109.02881	4.3
110.01275	5.2
110.97551	12.7
112.99115	2.0
114.01532	1.6
114.05511	1.5
115.03915	56.6
116.01250	2.1
116.04260	5.8
116.98607	11.2
117.02061	1.0
119.01790	12.1
120.08054	1.0
122.01211	0.9
122.06027	0.8
123.02016	0.8
123.04426	0.7
124.99065	3.8
125.01738	2.7
127.00655	0.9
127.03918	5.7
128.01341	1.2
128.02289	6.6
128.98592	9.8
129.02061	2.0
130.02827	1.0
130.04991	2.9
130.06516	0.7
130.08597	1.1
131.00127	2.0
131.01782	3.2
131.52216	0.6
132.02565	0.9
132.04401	1.4
133.04951	40.9
133.07573	2.7
134.99646	2.4
135.02051	0.8
136.07539	3.5
137.01755	3.4
138.02570	4.0
139.01540	1.7
140.02283	5.1
140.98573	13.4
142.04971	1.0
143.00137	9.1
143.01752	1.8
144.02541	4.0
144.98036	2.0
145.01549	1.5
145.04895	2.5
146.02281	7.8
146.99609	4.7
147.03084	1.9
149.01236	0.5
150.05479	0.9
151.50108	0.6
152.02284	6.0
152.07083	1.1
152.98521	4.9
153.03070	11.7
154.02037	1.5
154.08607	13.0
155.00150	1.3
155.02823	1.9
158.02258	8.7
158.99644	13.8
160.02031	0.8
161.01208	7.0
161.02811	5.1
162.99130	1.3
164.07106	1.0
164.53864	0.7
167.02817	70.2
167.52988	1.6
168.03520	0.8
169.07616	1.1
170.03329	0.9
170.99632	10.3
171.09113	1.7
173.01196	3.1
173.02850	3.1
174.99115	0.7
176.03340	35.0
176.53453	1.1
177.00681	6.1
178.53587	1.1
179.02745	1.3
182.03331	79.8
182.53517	2.0
182.99612	4.0
185.01201	0.8
185.07043	0.6
186.99182	1.2
187.08682	1.1
188.03290	1.1
189.00676	7.5
191.03860	30.6
194.03310	0.7
194.99586	1.1
199.08612	1.6
201.00668	6.7
201.04047	1.0
202.54758	2.9
203.02203	0.9
203.04028	0.7
207.01788	1.4
209.03897	3.0
213.00667	2.0
215.03860	33.8
215.08208	1.1
215.11679	0.6
215.54019	0.9
218.04411	0.9
219.01732	21.2
224.04407	7.7
225.00714	2.4
225.02713	0.7
227.02260	1.0
230.04378	2.0
231.01585	0.8
232.10773	0.7
233.12823	0.9
236.04391	1.6
237.00885	0.8
237.02780	23.1
239.04910	54.5
239.55040	1.3
243.01775	1.6
243.07611	1.3
255.03914	1.3
259.10626	0.6
261.02783	1.5
270.99173	0.6
273.03018	0.7
277.11774	7.7
279.04077	0.7
279.09750	1.3
285.02844	1.6
295.12781	6.4
296.06543	11.8
296.12213	4.6
303.03885	1.3
315.03873	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.102
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03936	2.4
55.01863	15.1
57.03139	1.0
57.03429	30.6
59.04998	2.5
61.02916	14.3
69.03419	39.6
69.07064	1.6
69.29401	2.2
70.03748	0.8
70.06564	0.5
71.01347	6.4
71.04991	2.2
73.02906	43.3
75.04482	0.7
79.05464	0.7
81.03405	6.9
81.07054	0.5
83.04984	0.6
84.08138	0.6
85.02892	100.0
86.03214	1.0
86.09693	3.2
87.04454	6.3
87.08096	1.6
91.03947	3.8
91.05468	13.0
91.06046	0.8
95.04958	0.7
97.02877	45.0
99.04431	3.9
101.02348	0.6
103.03941	5.4
106.06554	0.8
107.04925	0.6
109.02861	8.0
111.04456	0.7
115.03920	24.3
118.06589	0.5
119.04922	8.7
120.08060	0.6
121.06516	1.3
123.04433	0.9
127.03896	21.2
128.41096	0.4
130.08597	0.8
132.10199	1.5
133.04944	39.0
134.06067	0.7
135.04443	0.4
136.07556	52.5
137.07913	0.7
145.04932	21.7
147.04388	0.7
148.03935	0.7
150.07713	2.3
151.03931	0.7
163.03915	0.9
163.05974	4.6
169.04958	1.1
176.24239	0.4
181.04970	0.8
193.04994	0.7
199.06062	0.8
221.05997	0.5
223.05998	0.7
241.06949	2.0
249.15904	0.7
277.15140	0.6
295.05832	1.1
295.16464	4.0
296.11374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03930	0.5
55.01863	9.0
55.05499	0.4
57.00111	0.3
57.03429	16.9
57.04547	1.1
57.07072	0.4
59.04991	1.9
61.02917	7.2
61.16291	0.4
66.29780	0.3
69.03419	18.9
71.01353	3.9
71.04980	0.7
72.34936	0.3
73.02906	23.4
74.03252	0.5
79.05456	0.5
81.03410	3.2
83.04980	0.3
84.04477	0.4
85.02892	41.9
86.03221	0.3
87.04462	3.2
88.04821	0.3
91.03951	1.6
91.05444	0.5
93.07024	0.5
94.04040	3.2
95.04953	0.6
96.05619	0.4
97.02877	21.1
98.03235	0.5
99.04423	1.8
101.02403	0.3
103.03935	2.8
103.59962	0.3
105.06998	0.3
107.08588	0.4
108.04384	0.3
109.02875	3.3
112.05038	0.5
115.03912	13.5
117.03296	0.4
120.08098	0.4
123.06674	2.6
127.03893	9.0
129.42021	0.3
133.04948	22.6
135.04402	0.6
135.05394	0.4
135.08060	0.4
136.07555	0.9
144.06522	0.5
145.02942	0.6
145.04935	9.6
145.06720	0.4
146.06029	0.6
150.07724	100.0
151.03928	0.4
151.08145	1.4
163.03876	3.6
163.05994	1.7
165.06953	0.4
169.04936	0.6
181.04942	0.5
193.04910	0.6
199.06076	0.4
221.05928	1.5
223.05946	0.6
236.06956	0.4
241.06941	0.5
249.05423	1.3
250.05890	0.4
259.07956	0.4
277.15399	0.6
278.13754	0.3
295.05820	1.8
295.11380	2.5
295.16440	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	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03951	2.5
55.05503	3.0
57.03423	12.6
59.04995	2.3
61.02930	1.9
69.03420	100.0
69.77615	4.1
69.78001	3.7
71.04996	2.6
73.02909	5.2
75.04457	1.8
79.05464	2.8
81.03407	15.1
81.07067	2.4
83.10364	2.0
84.13972	1.7
85.02896	34.2
87.04461	20.8
89.03909	4.0
91.05465	2.3
93.07000	2.1
95.04977	3.1
96.12963	1.7
97.02879	80.0
99.04439	8.4
103.03910	4.6
107.04958	3.2
109.02843	4.0
111.04381	2.6
115.03912	62.6
116.69006	1.7
117.03364	4.3
117.05505	2.0
123.04443	3.3
127.03895	8.0
133.04945	31.8
135.04410	9.4
145.02837	7.1
145.04875	12.4
151.03853	11.1
157.05051	1.9
161.04366	2.3
163.03879	43.9
165.05447	2.7
169.04977	3.5
181.04930	6.8
221.05960	4.2
241.07071	2.8
249.05486	3.2
277.08981	3.6
295.08102	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	295.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.8
55.01859	13.1
55.05502	2.0
57.03429	28.1
59.04998	3.5
61.02923	14.2
67.05496	2.3
69.03424	44.1
71.01331	5.8
71.04990	4.6
73.02911	43.0
77.89415	1.8
79.05493	2.7
81.03408	12.4
81.07053	2.5
85.02897	100.0
85.36932	1.6
87.04456	7.1
88.20639	1.7
91.03946	2.1
91.05470	3.5
93.06998	2.8
95.04974	2.7
95.08568	2.7
97.02882	49.0
97.03490	3.6
99.04424	6.5
103.03920	5.7
103.05476	2.9
105.07031	3.2
107.04935	2.6
107.54207	1.8
109.02853	11.0
115.03915	25.0
116.04981	1.9
121.10121	3.7
127.03912	23.2
131.08531	2.1
133.02881	12.7
133.04958	37.8
133.06487	2.8
135.04318	1.8
136.07536	3.0
145.04951	19.3
148.07538	2.3
149.05988	1.7
151.03859	2.6
152.31317	1.8
163.04007	2.5
163.06010	4.0
165.06975	8.4
183.04373	2.7
193.04889	3.3
193.06480	4.8
199.06032	2.6
211.07547	2.0
215.07056	2.9
219.06575	1.9
221.05948	55.9
221.08075	4.0
222.06303	3.1
239.07040	4.6
249.05460	26.0
250.05650	2.3
252.06508	2.0
267.06537	8.8
277.04971	6.9
285.07703	2.5
295.05957	53.1
295.11786	3.6
295.15234	11.1
296.06155	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	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01865	15.5
57.03435	29.5
59.04976	4.3
61.02916	11.6
68.72756	2.0
69.03423	53.5
69.03797	2.6
70.01175	3.0
70.01507	4.3
71.01321	4.8
71.04961	4.9
73.02911	38.2
81.03408	9.3
81.07041	3.5
83.04939	3.1
85.02896	100.0
87.04464	8.0
91.05460	4.9
93.07047	4.5
95.08556	2.5
97.02883	45.5
99.04408	3.9
103.03944	4.5
103.05442	4.0
105.03496	2.8
105.07001	2.8
109.02838	11.7
109.10125	3.1
115.03918	28.6
121.10065	2.9
127.03908	19.2
131.08601	2.5
133.02875	11.9
133.04955	30.7
133.10052	2.4
135.04378	2.8
136.07587	3.5
137.05869	2.6
145.04930	22.7
148.07510	3.9
151.03859	3.7
163.06047	3.6
163.07475	2.4
165.05634	2.3
165.06987	8.8
169.04858	2.3
193.06467	5.2
197.05894	2.8
215.07028	3.9
221.05945	61.4
221.08067	3.5
222.06378	5.7
239.07104	2.6
249.05463	32.8
250.06079	3.6
267.06479	6.5
277.04999	6.6
285.07199	2.7
295.05963	62.4
295.11813	3.7
295.15167	15.9
295.18295	2.5
296.05865	4.6
310.86816	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	295.1174
Annotation	Angelitriol
Peak:m/z	Relative Intensity
55.01868	6.0
55.05498	0.5
59.04987	1.2
67.05513	0.9
67.11967	0.3
68.96081	0.3
68.99776	0.9
69.03417	2.1
69.07054	0.4
71.04977	0.9
73.02908	0.8
79.05460	1.1
81.03405	1.1
81.07040	1.5
85.02888	2.0
91.05481	2.6
93.07034	1.2
95.04932	0.8
95.08586	1.1
97.02869	2.0
98.23425	0.9
103.05481	2.7
105.07025	2.6
107.04942	1.4
107.08582	0.8
109.02834	0.5
111.04382	0.5
115.03954	0.8
115.05442	1.0
117.03392	0.6
117.07011	0.7
119.04916	1.2
119.08562	0.6
121.06484	2.8
123.07992	0.4
123.11656	0.5
125.05976	0.6
125.09579	0.5
128.06230	0.6
128.58528	0.3
129.06944	0.7
131.04932	3.6
132.05701	1.6
133.04973	0.5
133.06464	4.6
133.10114	0.9
135.04372	1.1
135.07993	3.1
135.11586	0.5
137.06012	0.8
137.22581	0.4
139.07158	0.3
143.08501	0.9
145.02817	0.6
145.06479	2.4
145.10104	0.5
146.05948	0.4
147.04382	4.9
147.08038	1.5
149.05974	2.8
149.09618	0.5
151.03879	0.9
151.07533	1.3
153.05421	0.6
157.06496	0.6
159.04405	0.5
160.05182	4.3
161.05984	1.9
161.09619	0.9
162.03085	1.9
163.03880	11.0
163.07513	5.9
164.04453	0.6
165.07022	0.5
171.04335	0.5
171.08051	2.4
173.05956	0.9
174.06755	1.3
175.03906	1.8
175.07544	2.6
176.04665	1.2
177.05450	26.3
177.09032	1.2
178.02577	0.7
178.05843	0.6
179.03326	2.0
187.03859	2.6
188.04652	13.9
189.05399	0.9
189.09079	2.7
191.03365	40.2
192.04146	10.6
192.05899	0.5
193.04898	1.6
193.08525	0.4
199.07550	1.6
201.05504	0.5
201.09041	0.4
203.03389	1.3
203.07011	0.7
205.04929	9.2
205.08542	1.5
206.05699	10.2
207.06458	3.0
207.08185	0.3
207.09979	0.7
217.08580	5.4
219.02931	3.5
219.06403	1.7
221.04404	1.6
223.09573	2.4
227.06966	0.7
229.05002	2.7
233.08104	1.6
235.07619	0.6
235.09515	0.6
244.07280	1.7
245.08035	4.2
247.05916	0.6
249.11205	6.2
252.07811	0.4
259.09631	2.0
262.08487	0.5
263.10684	0.5
277.10675	27.3
278.10999	1.2
280.07098	0.6
295.11728	100.0
296.12115	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1328
Annotation	CHEBI:70702
Peak:m/z	Relative Intensity
53.03933	0.5
55.01863	2.3
55.05488	0.4
57.03420	1.3
61.02900	0.4
67.05493	0.8
69.03430	2.0
71.04956	0.3
71.43053	0.3
73.02910	0.9
77.03938	0.9
79.05489	4.4
81.03400	1.4
81.07027	0.9
83.04940	0.3
85.02426	0.4
85.02890	2.9
88.03972	0.8
89.03905	0.3
90.17499	0.3
91.04923	0.6
91.05467	6.8
93.07044	1.6
94.04176	0.5
94.06547	1.1
95.04958	2.9
95.08590	1.1
97.02882	1.3
103.05457	38.7
104.03386	0.4
104.05778	0.7
105.04506	1.0
105.07018	20.3
107.04939	6.5
107.08582	1.1
108.05723	1.1
109.02867	0.6
109.06501	1.0
111.04358	0.5
115.03887	0.9
115.05447	3.3
117.03358	0.5
117.07018	3.9
119.04914	1.1
119.08572	0.8
120.05722	1.3
121.06495	13.5
122.03587	0.5
123.04400	0.6
123.08059	2.8
127.03877	0.4
128.06226	0.8
129.07002	1.0
131.04915	34.0
132.05589	0.6
133.06474	66.8
134.06802	1.3
134.08838	0.3
135.04408	0.6
135.08037	31.9
136.05219	1.6
136.06068	0.3
136.08452	0.5
137.05963	13.3
141.07005	0.4
143.04913	1.0
144.05678	0.6
145.02750	0.4
145.06468	20.0
146.05937	2.2
147.04440	0.4
147.08032	5.9
149.05977	4.0
151.03912	2.8
151.07529	21.4
152.07915	0.5
155.06052	2.1
157.05263	0.6
157.06470	5.7
159.07990	0.8
160.05209	1.5
162.06837	0.5
163.03926	3.0
163.07523	100.0
164.07877	2.5
165.06996	0.4
169.06409	0.4
171.08012	2.7
172.05185	0.7
173.05992	1.4
174.05463	0.8
175.07539	5.0
177.05441	0.4
178.07692	0.5
179.08578	0.5
181.06467	0.8
187.07521	3.0
188.08200	0.5
189.09070	0.6
191.03482	0.3
192.09335	0.5
194.07222	0.9
195.08061	0.5
197.08040	0.5
201.09138	0.6
202.07791	1.8
205.06400	0.4
207.07965	1.9
207.11615	0.8
209.04808	0.4
217.10185	1.6
219.08083	1.1
220.08798	2.6
221.05919	0.8
221.09503	0.6
226.07756	0.5
227.08498	0.4
231.08073	0.7
233.09549	0.5
234.06799	0.4
235.07527	0.7
235.11159	6.1
236.08081	0.3
245.09593	2.9
247.07521	1.0
248.08308	1.8
249.05492	0.5
249.08997	0.3
253.08693	0.4
263.10651	10.4
264.11218	0.8
265.08609	0.8
267.13824	0.7
280.10959	0.9
294.64441	0.3
295.06061	0.9
295.13272	25.8
296.13690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19722	2.0
55.01865	8.3
55.05515	3.2
57.03437	23.5
57.07072	19.2
59.04986	2.6
61.02909	3.9
63.70100	2.2
67.05489	3.3
69.03432	15.5
71.01349	2.7
71.41261	2.8
73.02916	22.3
79.05486	2.7
81.03414	4.2
85.02904	24.2
85.06537	16.9
85.24271	2.1
85.58944	2.2
86.09708	2.9
87.04516	2.4
91.05473	7.0
95.04948	5.6
97.02876	13.1
97.10150	5.4
101.06025	3.3
103.03959	2.8
103.07570	100.0
105.49449	2.0
106.06561	4.1
113.06001	4.5
115.03907	12.0
115.11195	3.4
119.04907	2.4
120.08089	7.9
127.03881	5.1
127.07558	12.0
131.07056	6.8
133.02852	2.3
133.04968	16.2
134.06027	3.0
135.08008	3.0
136.07553	24.4
145.04987	7.0
145.08627	7.3
148.03906	3.1
150.07730	3.5
163.03735	2.4
163.06030	2.9
163.09618	17.4
163.12285	6.8
164.13164	2.4
165.07021	4.2
177.09084	2.9
189.13802	3.5
203.15337	2.7
207.46512	3.0
211.84926	2.3
217.13364	4.8
221.06181	4.6
223.50426	2.3
231.14967	6.6
249.05367	5.3
249.16043	5.6
267.06323	3.6
277.15451	17.6
295.06104	10.4
295.16489	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	295.1651
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
55.01862	0.6
57.03421	0.9
57.38675	0.3
63.41196	0.4
65.03922	0.4
69.03424	2.3
69.07050	1.1
70.06588	0.4
73.02899	1.2
74.02419	0.7
74.20513	0.3
79.05482	0.5
81.07041	0.7
83.04971	0.4
85.02898	7.0
86.09692	4.9
88.48019	0.3
90.35917	0.3
91.05470	25.1
92.05774	0.5
97.02866	1.7
99.04462	0.4
105.03393	0.5
106.06564	1.6
107.04948	1.2
109.02884	0.5
109.06516	0.8
115.03891	1.2
118.06552	0.8
119.04933	16.7
120.05273	0.4
120.08054	0.6
121.06486	3.0
122.06045	0.7
123.04427	1.5
127.03903	0.8
130.08620	1.2
132.10188	1.9
133.02797	0.5
133.04948	0.6
134.06021	0.7
136.07558	100.0
136.17822	0.3
137.07896	1.5
145.04950	1.0
147.04396	0.9
148.03926	0.8
150.05516	1.2
150.07724	1.1
151.03879	0.4
161.10716	0.7
163.03870	1.2
165.07042	0.7
178.16495	0.4
192.06561	2.2
217.13391	0.5
219.14862	0.4
221.05968	1.4
222.06479	0.4
234.85699	0.3
249.05287	0.4
249.15970	1.1
250.05992	0.6
250.14400	0.8
267.06509	0.7
277.15457	0.5
278.13773	1.0
295.05521	1.8
295.13074	0.5
295.16394	6.1
296.11389	0.9
316.59982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69442	0.5
55.05519	2.6
56.05042	0.6
56.96565	1.0
57.03436	0.9
58.06609	0.9
69.03426	4.2
69.07055	0.8
70.02938	3.7
70.06584	3.7
71.04601	0.6
71.04984	10.9
71.05350	0.9
72.05389	0.7
73.02912	1.2
76.96136	0.7
79.05492	3.7
81.07050	1.0
82.06596	1.3
84.04510	2.5
84.08122	1.1
85.02888	4.3
85.06532	15.6
86.09702	5.5
89.03905	0.7
91.05474	2.1
95.04948	0.7
95.08646	0.7
97.02861	1.3
98.97582	1.2
99.04423	1.0
103.03930	2.0
106.06521	5.4
107.04961	6.7
115.03942	2.3
115.05487	1.1
118.06595	0.8
119.04990	0.9
120.08102	5.5
122.16075	0.6
123.04409	0.8
127.03902	0.9
130.06564	0.7
130.08611	3.0
131.05000	0.9
133.02968	0.8
133.04994	1.2
134.06017	2.7
135.04407	10.2
136.03928	3.4
136.07564	0.8
139.03906	0.9
143.05078	0.7
145.02789	0.9
145.04842	0.7
146.06064	0.6
147.04457	1.6
148.03926	2.6
150.05521	0.7
151.03964	1.0
152.07068	4.2
155.73041	0.7
157.09665	0.8
161.05991	1.9
163.03886	24.1
166.08661	2.1
174.96887	0.7
175.03937	1.0
176.07069	2.8
177.05533	1.3
179.03383	0.9
189.05463	2.3
190.08914	0.7
193.04958	8.2
193.09708	64.5
194.10023	1.6
205.09615	1.6
207.11221	0.8
217.05025	0.8
217.09589	1.1
231.06558	1.0
231.11153	0.8
256.29416	0.8
263.13876	100.0
264.14279	4.3
277.11969	1.8
277.15381	11.3
288.92819	0.7
295.07956	2.0
295.12994	3.8
295.16473	51.8
296.11258	19.2
296.16608	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.26448	1.9
53.03934	6.3
55.01866	39.8
55.05505	61.7
56.96546	10.1
57.03425	7.9
57.07058	9.7
59.04972	2.3
65.03934	3.4
67.05492	89.1
69.03416	7.8
69.06703	3.5
69.07061	43.3
71.04980	6.2
71.08620	40.0
79.05482	54.6
81.03404	17.9
81.07044	83.1
83.04956	17.9
83.08603	31.2
84.17426	2.3
85.06522	8.1
85.10154	4.6
91.05468	40.8
91.80807	2.3
93.07034	60.6
94.07355	3.0
95.04943	23.2
95.08591	63.6
97.02847	2.6
97.06516	16.5
97.10156	22.1
99.08073	29.9
105.07015	33.9
107.04919	4.5
107.08575	37.2
109.06507	9.6
109.10138	26.4
111.08059	39.1
113.09646	6.9
117.07000	6.7
119.08568	26.8
121.10129	25.1
123.08035	19.1
123.11691	10.2
125.09612	14.4
129.06979	4.2
131.08565	8.4
132.93401	2.2
133.10107	23.5
135.08034	3.9
135.11684	23.3
137.09593	19.1
139.07561	2.7
139.11156	11.8
141.09013	2.3
143.08513	3.4
145.10120	9.1
147.11646	19.7
148.73483	1.9
149.09608	5.7
149.13228	15.4
151.07484	2.2
151.11153	32.8
153.12695	3.9
157.10127	4.9
159.11633	5.0
161.09558	2.1
161.13245	17.6
163.11171	10.9
163.14819	3.8
165.09047	2.9
165.12717	15.6
167.14282	4.0
171.11664	3.5
173.13300	5.0
175.11150	4.4
175.14743	3.6
177.12712	3.5
179.14325	11.9
181.12196	2.7
185.13268	3.7
189.11197	7.3
189.12747	3.0
199.14891	2.7
207.13759	2.8
221.15395	3.4
231.20905	3.7
236.06966	4.0
241.11327	3.0
241.19482	7.0
242.11395	7.4
249.22093	13.1
250.09396	4.1
252.06152	3.0
254.11456	14.3
259.20465	11.9
260.12589	7.4
262.66605	2.5
271.12219	4.9
272.12439	17.5
277.21597	100.0
278.21878	4.0
295.07922	10.5
295.22684	51.6
296.22748	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
51.02375	4.8
53.90921	5.8
55.01868	14.5
55.05508	60.1
56.06632	5.2
57.03432	11.5
57.07067	19.4
66.58341	5.4
67.05501	80.8
68.05856	5.0
69.03456	5.3
69.07063	53.8
71.04990	11.9
71.08621	9.6
71.42430	4.4
79.05488	67.3
81.03413	11.5
81.07056	87.8
83.04984	25.7
83.08624	28.2
85.06530	8.6
91.05450	33.7
92.63069	4.8
93.07044	78.2
93.28328	4.7
95.04961	35.4
95.08611	64.5
97.06543	16.9
97.10172	18.4
98.31568	5.6
105.07039	31.4
107.08600	33.5
109.06519	12.4
109.10136	32.1
111.08060	9.8
117.07046	8.4
119.08585	30.0
121.10139	31.6
123.08089	10.5
123.11681	10.5
125.09597	6.0
131.08559	12.5
133.10129	19.4
135.11653	17.6
137.09608	5.0
139.11130	27.6
145.06462	12.5
147.11679	20.4
149.13199	12.0
151.11134	8.2
153.56592	5.0
157.10193	6.8
159.11708	6.7
161.13268	12.0
165.12752	10.8
173.05989	55.5
231.20967	6.6
240.63460	5.5
241.46971	5.4
277.21603	75.9
295.17099	9.0
295.22635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2262
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.94618	2.7
53.03941	27.9
55.01858	9.2
55.05504	40.2
57.07057	10.9
59.27598	2.5
67.05493	92.0
69.03424	4.3
69.07057	51.5
71.08620	10.1
77.62688	2.9
79.05480	50.7
81.03403	93.4
81.07046	78.4
83.04975	24.9
83.08628	13.5
85.06509	3.7
85.10184	4.9
91.05468	35.3
93.07030	51.9
95.04952	56.9
95.08598	27.9
97.06528	5.0
97.10156	8.3
99.08041	4.6
105.06992	25.6
107.04916	4.1
107.08584	30.8
109.06510	12.9
109.10139	28.1
111.08048	4.6
119.08561	13.5
121.10132	16.2
123.08043	3.5
123.11671	7.2
125.09600	9.7
129.06923	3.6
131.08565	9.0
133.10114	20.5
135.08034	6.6
135.09674	2.7
135.11681	11.0
143.08557	4.3
147.11671	18.4
149.13214	13.8
151.11148	68.2
153.09123	5.6
157.10127	3.7
159.11772	4.0
161.09633	5.7
161.13234	17.9
163.14815	5.1
165.12738	14.9
175.11127	4.3
175.14825	7.6
179.14316	8.9
189.12862	2.7
207.13779	4.8
216.01436	3.1
217.19449	3.5
231.21048	13.1
241.19417	7.6
249.22238	6.1
259.20554	13.5
277.21582	100.0
278.21893	5.1
279.22934	3.6
295.22766	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.03934	4.6
54.71278	1.4
55.01868	10.9
55.05506	47.9
56.14761	1.5
56.96618	1.8
57.03434	13.3
57.07071	15.0
67.05496	91.8
69.03425	8.4
69.07063	36.5
69.19623	9.8
71.04985	10.5
71.08626	11.9
77.03924	2.3
79.05486	49.9
81.03402	9.3
81.07050	100.0
83.04977	16.3
83.08607	27.5
83.80940	1.5
85.06525	5.2
85.10171	3.3
91.05477	34.5
93.06442	2.8
93.07031	53.4
95.04954	23.1
95.08018	3.0
95.08596	50.1
97.06523	11.6
97.10168	16.0
99.08080	7.4
105.04501	2.3
105.07014	26.9
107.04945	2.0
107.08582	28.1
109.06514	8.5
109.10139	22.1
111.08064	10.1
111.11782	1.7
113.09635	2.1
117.07005	5.4
119.08578	21.2
121.06501	2.9
121.10133	17.4
123.08064	6.5
123.11726	11.6
125.09607	15.6
127.11187	1.8
129.06993	6.5
131.08563	7.0
133.06470	4.2
133.10112	14.7
135.08044	3.1
135.11656	11.4
137.09602	6.1
137.13228	3.6
139.11205	9.2
143.08517	3.2
145.10092	4.9
147.08046	1.9
147.11688	13.4
149.09654	3.2
149.13239	8.6
149.37602	1.9
151.11223	8.2
153.09094	2.3
153.12752	5.6
155.10678	6.9
157.10074	2.9
159.11671	2.9
161.09618	2.5
161.13219	10.3
163.11192	4.1
163.14774	4.4
165.12767	8.1
171.11693	3.8
173.11707	2.0
175.11168	3.4
175.14825	4.4
177.12801	2.5
177.16440	2.0
179.14256	4.7
185.13297	3.4
189.11240	3.3
189.12810	2.1
193.12169	3.0
207.13751	3.8
221.15413	2.5
227.56068	1.7
231.21097	4.0
241.19696	2.5
249.22049	2.4
259.20544	4.5
277.21616	36.0
278.21890	3.0
295.19324	3.4
295.22574	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03920	6.4
55.01861	10.5
55.05506	36.2
57.03412	2.5
57.07069	12.0
67.05493	74.0
69.07059	36.8
71.04968	6.7
71.08620	61.7
73.06525	2.8
79.05479	64.6
81.03406	11.3
81.07043	82.6
83.04979	16.0
83.08609	23.0
85.06541	3.9
90.88530	2.4
91.05470	36.4
93.07032	99.6
95.04959	17.1
95.08593	54.5
97.06508	13.7
97.10143	8.9
99.08073	36.1
105.07003	24.3
107.04925	10.3
107.08575	44.2
109.06544	5.4
109.10133	22.6
111.08054	6.3
111.11719	3.4
117.06989	4.3
119.08556	22.5
121.10120	48.1
123.08052	4.3
123.11659	4.9
127.11171	5.0
129.06992	4.8
131.08562	7.9
133.10080	11.8
135.08023	2.7
135.11665	53.3
137.09575	5.4
137.13188	4.4
141.09039	3.1
143.08508	4.4
145.10182	7.1
147.11642	8.2
149.09677	2.7
149.13226	19.0
151.11154	17.3
151.14783	4.8
153.12636	4.4
157.10085	3.1
159.11717	4.2
161.13223	14.7
163.11165	8.2
163.14746	3.6
165.12776	5.5
167.10675	4.0
167.14279	5.3
172.21236	3.1
173.13110	4.2
175.14699	3.2
177.12740	2.9
177.29381	2.4
179.14279	100.0
185.13281	3.4
233.22578	14.7
235.16968	6.4
243.20897	3.5
261.22043	6.2
277.21606	44.3
279.23111	8.0
295.22720	4.2
296.25867	5.5
319.79398	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.03933	3.4
55.01870	14.3
55.05501	59.2
57.03426	13.1
57.07072	13.7
59.04988	2.3
63.24158	2.2
65.03922	4.3
67.05493	92.5
69.03414	9.4
69.07056	49.1
69.77710	4.7
71.04980	9.9
71.08608	6.9
79.05479	62.7
81.03403	10.7
81.07043	100.0
83.04970	33.2
83.08601	29.7
85.02888	3.0
85.06532	4.8
85.10140	4.2
90.37501	2.3
91.05452	37.5
93.07025	66.8
93.07599	3.9
95.04964	25.4
95.08015	4.2
95.08591	58.2
95.09198	3.2
97.06518	18.1
97.10136	19.3
99.08086	5.2
105.04540	3.3
105.07015	33.0
107.08566	28.0
109.06496	9.4
109.10135	23.1
111.08065	8.3
111.11703	2.7
117.07039	3.9
119.08560	25.2
121.10110	25.5
123.08046	6.1
123.11686	16.0
125.09615	11.3
129.00798	2.0
129.07007	5.3
131.08519	7.9
133.06519	3.8
133.10086	19.5
135.08034	2.8
135.11635	15.6
137.09593	8.1
137.13281	3.1
139.11159	28.6
143.08528	4.7
145.10124	3.9
147.08031	3.5
147.11659	19.7
149.09593	3.5
149.13240	10.3
151.11147	6.1
153.12709	5.3
155.10606	3.9
157.10106	4.8
159.11661	5.6
161.09570	3.4
161.13216	13.2
161.36682	2.0
163.14815	2.2
165.12738	8.1
165.91882	2.7
171.11710	4.8
173.13240	5.0
175.11116	3.7
175.14798	8.5
179.14293	3.5
179.55261	2.5
185.13255	2.7
189.12810	2.6
193.12265	4.4
207.13786	4.7
209.15608	3.2
211.13290	3.0
221.15286	4.3
231.20892	4.2
241.19559	2.8
249.22101	5.1
259.20615	6.5
264.13837	2.5
275.76364	2.6
277.21570	58.1
295.22659	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03938	21.0
55.01875	7.1
55.05502	36.1
57.07056	12.7
67.05494	64.0
69.07056	60.9
71.08617	9.3
79.05482	55.5
81.03405	82.4
81.07049	88.1
83.04990	25.5
83.08611	12.5
83.88690	5.4
91.05476	25.0
93.07027	55.4
95.04961	58.1
95.08590	35.4
97.10117	6.8
105.07017	27.8
107.08591	37.9
109.06500	13.1
109.10138	19.8
111.08083	8.2
117.07046	8.9
119.08574	18.5
121.10149	20.4
123.11706	9.7
125.09640	16.1
129.07002	7.0
131.08540	6.7
133.06551	5.9
133.10127	18.2
135.11690	17.6
137.13113	6.4
142.08765	5.8
147.11674	16.4
149.13235	15.9
151.11168	38.5
153.09050	5.9
161.09581	5.8
161.13197	18.0
163.14822	12.8
165.12697	6.0
171.11668	6.4
175.14772	9.7
177.12910	6.8
189.12782	6.1
214.24847	5.3
233.22678	6.8
241.19458	12.5
249.22211	8.3
259.20544	5.1
277.21585	100.0
295.23087	8.6
306.17712	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.72844	1.6
53.03943	3.4
53.55198	2.1
55.01854	5.5
55.05507	21.0
56.62545	1.6
57.03425	3.0
57.07066	6.3
65.03932	3.8
67.05495	50.3
69.03420	2.1
69.07061	21.0
71.04980	4.8
71.08623	100.0
73.71602	1.5
79.05488	42.6
81.03419	7.6
81.07045	46.6
82.07369	2.2
83.04970	11.8
83.08611	17.7
85.06526	1.9
87.04411	1.7
91.05478	33.9
93.07033	49.9
95.04971	13.5
95.08593	35.3
97.06519	12.4
97.10165	5.7
99.08080	76.4
101.84850	1.7
105.07011	28.0
107.04955	7.9
107.08578	19.8
108.50105	1.7
109.06485	3.9
109.10136	11.3
111.08053	6.8
113.09626	2.8
117.07014	3.7
119.08575	19.9
121.10136	18.9
123.08020	4.5
123.11679	3.5
125.09644	2.8
127.11185	2.9
129.07002	6.8
131.08542	5.5
133.06494	14.3
133.10120	15.4
135.08022	3.0
135.11665	17.1
137.09645	3.4
139.07516	2.8
141.12743	3.0
143.08572	5.2
145.10095	15.5
147.07939	2.1
147.11653	10.8
149.13264	8.1
151.11166	58.0
153.12697	3.6
157.10109	2.9
159.11668	2.8
161.13251	26.3
163.09889	3.5
163.11148	28.4
163.14812	2.9
165.12688	5.9
171.11693	6.1
173.13231	2.9
175.03810	2.3
175.14833	3.3
177.12711	2.8
179.14287	23.2
181.29121	1.6
185.13156	4.3
187.14914	2.1
189.12718	3.3
199.14809	4.9
207.13939	2.2
217.19458	2.4
221.15379	3.8
231.17737	1.8
241.19450	9.5
259.20517	9.6
273.91907	1.8
277.21603	44.3
295.22617	4.1
296.25528	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	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03922	4.3
55.01861	10.9
55.05505	44.3
57.03450	10.0
57.07066	12.6
67.05499	100.0
69.07055	39.1
69.44098	20.3
71.04989	8.8
71.08626	91.6
79.05482	59.5
81.03436	12.7
81.07045	77.9
83.04984	11.6
83.08606	44.0
85.06499	5.8
85.10165	8.3
91.05470	40.8
93.07033	64.8
95.04939	21.5
95.08599	55.3
95.49939	4.5
97.06524	14.4
97.10178	11.7
99.08086	75.9
105.07030	25.4
107.08597	34.6
109.06535	6.6
109.10113	20.4
111.08083	14.5
113.09639	6.0
117.07024	12.4
119.08596	24.8
120.98290	4.0
121.06504	7.1
121.10149	31.6
123.08052	8.7
123.11699	12.4
125.09623	11.0
129.06999	6.0
131.08542	10.1
133.10094	22.5
135.11658	19.9
137.13283	5.4
139.07588	6.4
141.12720	6.4
143.08563	10.5
145.10107	20.3
147.11679	18.5
149.09569	6.6
149.13261	12.6
151.11154	45.4
157.10139	5.0
161.13171	24.6
162.82669	4.5
163.11185	31.6
163.14790	4.9
165.12762	14.5
171.11720	7.8
173.13245	8.5
175.09650	9.0
175.11159	6.0
175.14798	6.1
179.14284	18.2
193.15907	8.4
221.15239	5.5
231.20988	4.9
238.04033	4.5
241.19563	9.8
259.20581	17.3
273.27069	4.4
277.21591	80.8
295.22641	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	295.2266
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
55.01867	12.4
55.05502	55.9
56.11854	3.2
56.81755	2.9
57.03417	14.9
57.07066	11.3
67.05493	77.4
69.03426	10.1
69.07059	56.4
69.45456	13.2
71.04984	8.9
71.08629	23.4
79.05486	58.3
80.18529	3.3
81.03415	8.9
81.07046	100.0
82.07395	3.5
83.04972	25.6
83.08605	35.1
85.06540	9.1
91.05466	43.1
91.84567	3.5
93.06416	5.1
93.07030	80.0
95.04964	28.2
95.08593	59.8
97.02869	3.4
97.06513	21.0
97.10164	13.1
99.08072	17.4
105.07010	38.0
107.04940	6.3
107.08578	36.1
109.06509	9.3
109.10123	25.8
111.08062	12.2
113.09612	3.2
117.07002	9.6
119.08556	23.5
121.10117	24.1
123.08047	6.5
123.11695	9.4
125.09635	4.2
129.07002	9.4
131.08559	9.0
133.06479	45.1
133.07471	5.6
133.10129	29.5
135.11674	23.8
137.09566	8.6
137.13287	4.6
139.11166	19.3
143.08560	3.5
145.10118	7.7
147.11656	18.4
149.13246	13.8
151.11208	14.9
153.12625	3.5
157.10089	8.1
159.11708	8.6
161.13252	11.1
163.11186	8.6
163.14774	4.7
165.12807	11.2
171.11662	4.3
173.13168	3.4
175.11099	3.6
175.14821	4.9
178.45427	3.0
179.14343	6.0
185.13249	6.4
189.12701	4.1
193.12242	4.0
221.15488	6.5
231.20815	5.8
238.06036	3.1
241.19601	4.7
249.22073	7.1
259.20581	7.0
277.21606	67.3
278.21854	5.4
295.22650	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2632
Annotation	Methyl linoleate
Peak:m/z	Relative Intensity
55.05507	47.4
55.31644	7.5
57.07071	29.3
67.05493	59.7
69.07069	78.5
69.72067	24.9
71.08648	15.9
75.71455	5.7
79.05486	26.7
79.89074	5.9
81.07057	98.1
83.04980	12.4
83.08624	48.5
85.06545	6.9
91.05479	31.3
91.20803	6.7
92.13480	6.4
93.07039	40.8
93.19866	7.0
95.08602	100.0
97.06516	16.1
97.10159	39.9
105.07043	32.9
107.08583	28.0
108.34766	6.0
109.10156	49.9
113.06068	5.7
119.08582	37.2
121.10130	21.7
123.08064	8.7
123.11687	28.0
125.09644	6.7
125.13234	7.9
133.10139	41.5
135.11694	22.2
137.09599	9.2
141.12706	6.3
147.11681	23.4
149.13255	19.0
161.13234	23.4
163.14851	13.6
165.16441	6.7
175.14851	17.7
179.14374	6.9
221.22615	10.0
245.22633	67.7
263.23663	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99474	0.9
53.88604	0.9
60.08158	4.7
71.07352	3.0
71.43291	1.2
86.09699	21.8
93.59077	0.9
104.10732	100.0
105.11053	1.5
112.89583	1.8
120.62370	0.8
155.82780	1.0
222.98712	2.2
236.99217	31.5
237.99513	1.1
296.06592	28.6
297.06760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.1
69.03438	0.3
69.07054	0.2
70.05098	0.2
70.05434	0.1
70.06577	0.2
79.05497	0.2
81.07058	0.3
82.76524	0.1
85.02882	0.1
93.07031	0.2
95.08575	0.3
97.02883	0.2
99.04430	0.2
104.02808	0.1
105.07008	0.1
107.08565	0.1
109.10168	0.2
115.03922	0.1
118.12160	0.1
121.06465	0.1
121.10143	0.1
133.04999	0.1
137.09581	0.1
148.03963	0.1
153.06929	0.2
163.06187	0.2
180.08054	0.3
181.06427	0.6
207.06856	0.5
208.07545	3.0
218.05984	0.5
219.06577	0.2
235.06271	0.2
236.07031	100.0
237.07353	4.4
252.19612	0.2
296.05939	0.2
296.09106	4.1
296.15585	0.2
296.22217	0.1
297.09293	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	296.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80125	0.4
53.03931	1.0
55.14830	0.5
56.96572	2.5
57.03424	0.5
61.02936	0.5
61.80111	0.5
69.03429	2.6
70.93660	0.6
71.04983	13.3
81.03411	4.2
85.02876	2.5
93.33802	0.4
95.68445	0.5
97.02876	5.1
98.97570	1.3
99.04439	100.0
100.04780	1.6
109.02887	1.7
116.98553	0.5
117.05476	16.9
127.03881	1.5
129.02217	1.6
137.01115	0.5
145.04977	4.0
147.03278	0.7
163.70036	0.5
173.01227	1.9
191.02251	1.3
197.58023	0.5
216.98654	1.3
234.99747	1.9
243.08618	3.5
245.01477	0.5
261.09613	3.5
273.01270	2.1
291.02328	0.6
297.01254	0.9
315.02390	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	296.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	8.4
69.03403	2.6
70.93518	1.6
71.04982	11.8
73.02898	1.5
74.51897	1.1
81.03403	3.8
85.02886	3.9
97.02882	4.6
98.97552	3.5
99.04441	100.0
109.02867	1.6
115.03928	1.6
116.98573	1.5
117.05481	17.1
127.03869	2.2
129.02257	2.8
145.04930	3.4
145.06413	1.5
147.03258	2.3
155.00092	1.5
173.01219	5.2
173.05934	3.5
191.02263	5.0
216.98627	1.8
234.99750	4.7
243.08588	4.0
255.00320	1.6
260.09689	1.2
261.09790	3.3
264.12256	2.2
273.01279	7.6
282.17569	1.4
291.02274	1.5
296.11209	2.0
296.14853	4.4
297.01266	2.4
315.02307	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	297.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46718	0.4
56.30040	0.4
56.96558	57.1
57.03443	0.6
59.89887	0.4
69.03432	1.5
70.62746	0.5
71.04984	2.1
71.95287	0.5
72.96026	0.8
74.97604	0.8
78.60108	0.4
81.03413	1.0
84.04500	1.7
84.08144	1.5
84.96011	0.4
85.02890	2.6
85.04836	0.5
89.03043	0.3
94.28314	0.4
95.04952	0.5
97.02870	2.0
98.97571	22.8
99.04443	10.0
100.04787	3.3
107.04929	0.5
109.02868	0.6
110.19901	0.4
110.97529	0.6
114.95547	0.5
115.03928	1.0
116.98609	12.9
117.05480	1.5
119.01889	0.9
123.04443	1.1
127.00674	5.6
127.03876	0.7
128.98633	0.8
129.02225	26.3
129.03864	0.8
130.08575	0.5
131.05527	0.7
132.04367	0.4
132.96574	0.8
134.99644	4.4
136.06190	1.2
145.01738	4.8
147.03268	27.0
150.05484	0.5
152.06996	0.6
153.00713	0.6
155.00114	6.8
156.96559	2.9
158.99623	0.8
163.02748	0.6
165.04326	5.1
169.01752	0.6
170.99655	0.5
173.01204	38.1
174.01572	0.6
174.97621	15.7
175.04454	0.7
175.97729	0.5
177.00902	1.8
185.02896	0.5
187.02780	1.5
189.00720	0.9
190.95378	1.1
191.02248	41.1
192.02536	0.4
192.98700	11.1
196.02525	0.4
198.97609	1.5
199.04416	0.5
201.00804	0.4
205.03741	0.5
209.03310	1.8
212.99184	1.7
214.03854	0.5
215.54082	0.8
216.98666	18.8
217.98787	0.8
219.01965	3.0
224.54538	1.4
227.00742	6.0
228.98700	3.7
229.04106	0.7
231.00223	1.9
231.02071	1.0
231.06099	0.5
232.96259	0.8
233.03435	0.5
234.99719	31.8
235.99954	1.1
236.99292	1.8
237.02803	0.6
245.01817	9.7
246.97636	0.5
246.99763	4.3
247.03340	1.5
249.01126	0.5
253.00792	0.6
253.04288	0.6
254.94412	0.6
255.00134	16.8
256.00433	0.6
256.96375	0.7
258.01468	0.7
261.03046	0.5
271.05072	1.1
273.01257	56.2
274.01440	3.4
274.97440	7.7
287.02911	0.5
289.04306	0.5
291.02332	15.1
292.02441	0.7
292.98508	3.9
293.03546	0.5
296.56631	0.5
297.01193	26.4
297.14444	0.9
298.01511	1.5
299.06256	0.6
315.02310	100.0
316.02466	5.9
317.07013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0865
Annotation	3,3'-Dimethoxybenzidine-4,4'-diisocyanate
Peak:m/z	Relative Intensity
55.01857	0.4
64.13216	0.3
69.57964	0.4
69.69943	1.1
81.07016	0.4
97.02895	0.4
98.97555	1.3
105.03365	1.3
105.07056	0.4
107.08556	0.6
116.98616	0.7
132.04422	1.0
141.06995	1.3
149.05859	0.3
167.07327	0.8
168.08099	1.9
169.06470	3.3
178.06519	1.5
181.06401	0.4
182.05937	0.5
196.05730	0.7
196.07547	12.4
197.05954	4.2
198.06776	0.4
202.04979	1.2
205.06441	0.5
206.05910	3.6
207.06676	1.2
209.04532	0.5
211.07529	0.4
212.03305	1.9
223.06238	6.2
224.07021	22.0
225.07294	0.8
234.05490	0.9
235.06277	1.1
237.09125	0.8
251.05676	3.5
252.06512	14.2
253.06857	0.7
265.08594	1.5
270.07559	97.9
271.07901	4.1
274.97440	1.3
280.06146	1.2
292.98468	0.7
297.08401	3.1
297.11481	2.4
298.07040	100.0
299.07455	3.9
301.02512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04014	0.3
55.01928	0.2
55.05362	0.2
55.05592	0.4
57.03218	0.4
57.03531	1.5
65.03656	0.7
65.04038	3.9
67.05209	0.4
67.05604	2.0
67.25964	0.1
69.03526	0.8
69.06823	0.2
69.07166	0.5
69.54614	0.4
71.05090	1.5
79.05592	0.9
81.03498	0.4
81.07160	0.8
82.04298	1.9
83.05097	0.2
85.02451	0.3
85.03004	3.1
85.06610	0.3
91.05553	0.3
93.03504	1.3
93.07141	0.6
95.04957	1.8
95.08707	0.8
97.02952	0.4
97.06527	1.8
98.97592	0.8
99.04440	1.6
105.04568	0.3
105.07062	0.3
107.04995	0.4
107.08669	0.5
108.02093	0.9
109.02932	0.2
109.10178	0.8
110.03660	2.4
111.04428	1.3
115.04002	0.3
116.05085	0.2
116.98669	0.4
117.95372	0.2
119.08623	0.5
120.02137	0.2
121.02892	0.2
121.10219	0.5
123.00855	0.4
123.04500	0.6
123.11785	0.2
125.05972	1.6
131.08662	0.2
134.99680	0.4
135.04445	0.2
135.11786	0.4
137.02403	0.2
137.09660	0.3
138.03079	1.4
139.11250	0.3
140.04665	3.0
140.05646	0.2
142.02585	0.8
145.06584	0.2
149.05983	0.2
153.05438	3.0
155.06998	1.1
155.90903	0.2
157.10336	0.2
165.09091	0.2
171.06506	6.1
175.03821	0.2
177.06900	0.3
179.08577	0.2
181.04927	100.0
182.05260	2.1
187.04045	0.2
194.07233	0.3
199.06015	0.9
205.04860	0.5
205.06519	0.2
209.09515	0.6
211.07561	0.2
221.05836	0.2
222.06673	0.4
225.08925	0.2
225.11032	0.2
237.09035	1.0
239.06902	0.3
250.06007	0.4
254.09254	0.2
265.08597	1.3
269.07861	0.2
269.11337	0.3
273.13019	0.2
274.97394	1.0
282.08429	0.2
292.98172	0.4
297.09399	7.6
297.23874	0.3
298.10660	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	297.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
55.01865	9.1
55.05498	3.7
56.96566	4.3
59.86097	1.8
62.27606	1.8
67.05486	7.3
69.03468	4.3
69.07063	20.4
69.10347	10.1
69.10751	3.1
74.34914	2.0
79.05503	6.1
81.03411	16.2
81.07054	10.2
83.04974	20.6
91.05470	13.4
93.07063	10.3
95.04968	8.3
95.08566	4.5
96.34345	2.2
97.06497	4.0
98.97581	17.1
105.07018	15.5
107.04928	4.4
107.08588	11.9
109.02869	28.3
109.06535	16.5
109.10146	7.1
111.08079	10.4
115.05414	2.4
116.98614	19.4
117.06974	5.5
119.04884	2.6
119.08559	6.6
121.06443	4.6
121.10139	7.6
123.04417	3.0
123.08059	2.8
127.03917	34.9
129.07013	4.4
130.07808	6.2
131.08545	16.6
133.06480	3.2
133.10117	6.1
134.99644	7.2
135.04399	7.2
135.08052	8.0
137.05937	14.7
137.09596	6.6
141.05434	8.9
143.08499	4.8
145.06490	4.0
145.10132	21.7
149.05974	8.5
149.09602	15.5
151.07579	3.3
153.00732	2.5
155.07010	17.3
155.08598	7.0
157.06381	2.3
158.07207	2.6
159.08023	10.9
159.42860	2.0
161.09550	6.5
163.03883	10.4
163.07523	3.0
163.11186	8.9
165.05493	9.6
165.06847	3.0
166.07809	2.4
173.09605	43.8
175.11209	4.4
177.05470	7.4
177.09094	29.5
179.07034	4.8
183.08107	2.4
187.07469	2.9
191.03360	8.1
191.10635	27.9
194.07350	2.8
201.09090	17.4
203.10716	4.3
205.04977	8.9
205.08488	11.3
209.04422	5.1
209.09630	5.1
219.10126	48.2
220.10342	2.3
221.05917	2.4
221.11700	45.1
222.06718	4.5
223.05974	3.6
229.08516	15.2
237.09180	5.3
237.11287	4.9
239.06984	4.0
247.09636	100.0
248.09897	2.8
265.08487	6.5
265.10767	48.8
274.38010	2.0
274.97510	20.4
279.12265	98.6
280.12592	3.8
292.98557	13.5
297.07306	34.6
297.11090	15.7
297.14133	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	297.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03864	0.4
52.01105	0.4
53.03924	0.5
55.01859	1.9
55.05496	2.7
57.03416	1.0
67.05493	31.5
69.03423	8.9
69.07045	2.3
69.84247	1.4
71.04977	0.8
74.76281	0.4
77.49010	0.5
79.01833	1.4
79.05474	4.1
81.03405	0.7
81.07043	14.0
83.04955	0.4
83.08606	0.6
85.06488	0.6
87.35298	0.4
87.74300	0.4
91.05463	5.5
92.01910	0.4
93.07030	5.1
95.04945	4.4
95.08591	12.1
97.02876	39.2
98.97566	1.8
99.08076	0.7
107.08586	3.8
109.06509	2.7
109.10137	49.7
110.10472	1.2
115.03910	3.9
116.98607	1.0
117.06965	0.8
119.08559	7.3
121.06564	0.4
129.06998	0.5
132.04431	0.6
137.09590	100.0
138.09924	2.6
147.07988	1.4
155.10580	3.3
165.09091	74.8
166.09431	1.8
180.08086	0.5
183.10144	0.7
192.08098	0.8
193.08832	1.1
194.09598	0.6
201.11139	0.4
206.05994	0.6
212.06998	0.7
220.07549	1.0
238.08549	3.1
238.36040	0.4
244.72870	0.5
251.12680	1.5
252.06488	0.8
265.08459	0.6
270.07584	0.8
274.97491	1.4
279.12277	0.5
292.98581	0.7
297.13425	10.0
298.06995	0.7
298.10721	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01870	1.2
55.05501	2.6
57.03436	1.0
57.19498	0.5
67.05496	30.0
69.03419	8.2
69.07063	1.5
71.04982	1.1
71.44605	0.5
79.01835	1.2
79.05482	3.1
81.03406	0.8
81.07043	16.8
83.04940	0.7
90.71795	0.5
91.05471	2.6
93.07050	3.5
95.04951	4.8
95.08589	7.3
97.02880	30.6
97.06535	0.7
98.03194	0.7
98.97560	0.8
99.08076	0.8
100.64295	0.5
105.06987	1.2
107.04961	0.6
107.08575	3.6
109.06489	3.1
109.10141	54.0
110.10487	1.8
115.03923	3.0
116.98560	0.8
117.07017	0.8
119.08553	3.5
127.07481	0.5
132.04422	1.9
133.10107	0.6
135.01959	0.5
137.09595	100.0
138.09949	1.9
155.10617	2.4
164.07051	1.0
164.12852	0.6
165.09091	83.1
166.09410	2.6
181.06407	0.5
183.10104	0.9
205.06485	0.6
222.06636	0.7
237.09099	1.1
246.00729	0.5
250.06941	0.5
251.12802	0.5
254.17241	0.8
265.08444	1.3
269.13760	1.6
274.97394	0.9
284.89478	0.5
292.98865	0.6
297.13596	6.4
297.18427	0.6
315.03656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42343	0.1
53.00281	0.1
55.05504	0.5
56.96548	0.3
57.07066	0.5
63.02412	0.2
65.03921	0.7
67.05493	2.8
69.07054	0.4
70.51161	0.2
70.51481	0.2
79.05470	0.9
80.94839	0.1
81.07048	4.3
91.05467	11.5
92.05819	0.3
93.07033	1.4
95.04943	0.2
95.08592	3.5
98.97567	2.0
103.05451	0.5
105.07038	0.8
107.08568	1.1
109.10141	7.6
110.10468	0.2
113.63481	0.1
115.05447	0.2
115.24174	0.1
116.98602	1.6
117.06980	0.3
119.04930	5.4
121.02769	0.1
121.06474	0.2
121.10141	2.7
123.11688	10.4
124.12001	0.2
128.73967	0.1
131.04878	0.3
133.06479	0.4
134.99638	0.9
135.11678	1.4
145.06477	0.2
147.04388	23.2
148.04709	0.4
159.04335	0.4
163.03885	0.4
173.05954	0.3
175.03880	100.0
176.04225	2.8
177.05466	1.2
187.03912	0.4
189.05435	4.7
199.03873	0.4
201.05435	0.9
203.07002	1.9
213.05521	0.5
215.06999	0.5
216.06490	0.2
217.08546	1.0
227.07014	0.4
229.08536	0.5
241.08525	2.7
242.08989	0.2
255.10110	1.8
256.96341	0.2
274.97458	1.7
292.98502	1.3
297.11493	0.6
297.14783	12.3
298.15039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1483
Annotation	5-Deoxyprotobruceol I regioisomer
Peak:m/z	Relative Intensity
51.02382	0.2
55.05495	0.3
56.25856	0.1
56.96551	0.1
57.07064	0.4
58.14602	0.1
58.70198	0.1
63.26954	0.1
65.03927	0.6
65.28751	0.2
67.05500	2.2
69.07056	0.3
70.56548	0.2
77.03935	0.1
79.05478	0.9
81.07045	4.4
91.05466	11.5
92.05787	0.3
93.07030	1.2
94.50839	0.1
95.04955	0.2
95.08593	3.5
98.26178	0.1
98.97588	1.1
103.05448	0.5
105.07003	0.9
106.17396	0.1
107.08568	1.0
109.10141	7.7
115.05450	0.3
116.98602	0.6
117.07005	0.3
118.70093	0.1
119.04934	5.2
120.05273	0.2
121.02813	0.4
121.10134	3.1
122.10923	0.2
123.11691	10.0
124.12033	0.2
128.06224	0.2
131.04893	0.1
133.06454	0.5
134.99643	0.3
135.11682	1.4
147.04390	21.6
148.04709	0.6
159.04382	0.4
163.03865	0.4
173.05946	0.2
175.03880	100.0
176.04213	3.0
177.05434	1.0
178.66032	0.1
185.05899	0.1
187.03918	0.3
189.05432	5.0
198.06709	0.2
199.03882	0.6
199.07506	0.2
201.05415	1.4
203.07011	2.2
213.05400	0.6
215.06966	0.4
216.06482	0.1
217.08582	1.3
227.06946	0.5
229.08553	0.3
241.08546	2.3
255.10120	1.5
256.96310	0.2
267.39557	0.2
274.97498	0.9
292.98593	0.7
297.14807	12.9
298.15125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.5
56.96556	3.8
57.03409	1.6
61.13791	1.9
63.32269	1.7
67.05485	3.4
67.50455	1.7
69.03422	5.8
69.07064	12.3
71.08621	2.3
73.06544	1.9
75.04465	4.0
79.05471	4.1
81.07029	8.5
83.08599	4.4
85.06567	2.5
86.51963	1.8
86.71075	1.7
91.05485	5.8
93.07043	10.3
95.04942	5.0
95.08598	11.2
98.22674	3.5
98.97567	18.8
105.07001	5.7
107.08578	12.5
109.06487	4.4
109.10136	4.1
115.07573	11.1
116.98607	16.9
117.07042	2.1
119.08569	4.7
121.06518	11.8
121.10127	8.8
122.07273	2.4
123.08046	13.6
123.11674	2.9
129.05435	2.2
131.08519	5.6
133.10129	5.6
134.99643	7.1
135.08031	30.0
135.11711	5.5
136.06183	5.6
137.05978	2.5
142.17120	1.7
145.10115	8.4
147.11649	4.6
149.09627	7.0
149.13235	2.7
151.11018	2.1
159.08075	2.5
163.07466	11.4
163.11061	2.8
173.09599	2.6
173.13222	3.4
175.11145	3.2
176.11952	7.4
177.09023	9.2
181.15952	2.4
187.14813	6.8
191.10635	3.1
191.14276	69.6
205.15868	11.1
215.14287	12.5
233.15332	100.0
234.15463	2.9
237.68842	1.8
247.16898	5.0
256.96472	2.6
265.17935	18.1
274.90897	2.1
274.97461	19.5
279.19559	8.1
292.98462	13.2
297.20624	27.6
297.98993	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	297.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.5
56.96556	3.8
57.03409	1.6
61.13791	1.9
63.32269	1.7
67.05485	3.4
67.50455	1.7
69.03422	5.8
69.07064	12.3
71.08621	2.3
73.06544	1.9
75.04465	4.0
79.05471	4.1
81.07029	8.5
83.08599	4.4
85.06567	2.5
86.51963	1.8
86.71075	1.7
91.05485	5.8
93.07043	10.3
95.04942	5.0
95.08598	11.2
98.22674	3.5
98.97567	18.8
105.07001	5.7
107.08578	12.5
109.06487	4.4
109.10136	4.1
115.07573	11.1
116.98607	16.9
117.07042	2.1
119.08569	4.7
121.06518	11.8
121.10127	8.8
122.07273	2.4
123.08046	13.6
123.11674	2.9
129.05435	2.2
131.08519	5.6
133.10129	5.6
134.99643	7.1
135.08031	30.0
135.11711	5.5
136.06183	5.6
137.05978	2.5
142.17120	1.7
145.10115	8.4
147.11649	4.6
149.09627	7.0
149.13235	2.7
151.11018	2.1
159.08075	2.5
163.07466	11.4
163.11061	2.8
173.09599	2.6
173.13222	3.4
175.11145	3.2
176.11952	7.4
177.09023	9.2
181.15952	2.4
187.14813	6.8
191.10635	3.1
191.14276	69.6
205.15868	11.1
215.14287	12.5
233.15332	100.0
234.15463	2.9
237.68842	1.8
247.16898	5.0
256.96472	2.6
265.17935	18.1
274.90897	2.1
274.97461	19.5
279.19559	8.1
292.98462	13.2
297.20624	27.6
297.98993	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	297.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98642	0.7
56.96560	14.2
63.84286	0.7
66.92706	0.8
69.82899	1.0
69.83276	1.2
70.95868	0.8
71.95267	0.8
98.97572	100.0
99.97945	0.9
116.98610	51.5
119.01892	1.3
130.93234	2.0
134.99638	13.2
153.00737	1.1
172.94287	4.1
177.00900	3.8
190.95418	3.8
208.96225	1.3
212.92294	1.3
213.85939	0.6
213.92313	0.9
214.95406	2.4
216.98676	0.6
217.98830	2.4
219.01971	10.2
230.93372	1.0
232.96436	6.1
234.99783	1.5
235.99855	4.7
236.99561	1.2
243.01962	1.2
250.97498	3.8
255.93486	1.5
256.96371	11.5
261.03003	15.1
262.03445	1.2
273.94476	3.0
274.97470	88.0
291.95520	1.2
292.98505	52.4
293.98782	1.0
298.94421	1.0
298.97556	4.4
299.09756	1.0
316.07169	1.5
316.98776	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.00822	0.4
61.01144	5.5
65.91940	0.2
69.03427	0.4
69.10394	1.1
71.28361	0.2
75.02705	2.7
75.70746	0.3
82.48811	0.2
97.02881	1.5
98.97578	0.9
103.02177	0.5
116.98615	0.4
119.03527	1.2
119.80493	0.2
136.06175	100.0
137.04590	0.3
137.06506	1.0
145.03169	1.6
152.07033	0.5
160.88957	0.2
161.28880	0.3
163.04292	1.3
166.82405	0.3
204.03842	0.3
271.55219	0.2
274.97491	0.7
292.98553	0.4
298.09656	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	298.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.05505	0.5
56.96560	0.4
57.03418	0.9
61.01120	0.3
61.02916	0.3
69.03423	0.3
69.47095	1.0
70.02942	0.3
70.06584	0.5
71.01352	0.3
71.04985	2.3
73.02899	0.3
75.04458	0.7
78.04696	0.5
79.05036	0.4
79.05482	7.0
81.07038	1.0
83.04996	0.3
85.02891	5.0
87.04452	0.3
91.05466	1.9
95.03709	0.3
95.04957	1.0
98.97563	1.9
105.03375	0.3
105.04491	0.3
106.04197	1.7
106.04794	0.2
106.05801	0.4
106.06541	11.4
107.04940	18.7
108.05772	0.4
108.08095	0.3
109.06510	2.0
111.04456	0.4
116.98598	1.4
119.04942	0.3
122.06011	1.3
123.06821	1.3
124.07571	0.9
129.05443	0.3
133.05199	0.4
133.97226	0.2
134.03648	2.3
134.05995	11.0
134.99651	0.8
135.04396	10.2
136.06177	1.7
136.07549	0.9
137.05942	0.2
141.06950	0.3
146.05994	0.3
146.08093	0.3
148.03870	1.2
151.06276	4.2
152.07045	100.0
153.05431	0.7
153.07430	1.7
164.07051	0.6
168.80089	0.2
176.07040	0.5
178.09853	0.3
193.10870	0.8
194.08090	2.0
208.07587	0.2
222.05522	0.5
224.09306	0.3
232.96616	0.3
236.07025	1.0
239.11346	1.0
264.06516	0.4
274.97458	1.7
280.11768	5.6
292.98520	1.1
298.12814	14.3
299.07239	1.0
299.10330	1.1
299.13242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89299	0.2
56.96567	0.3
57.03418	1.0
58.39151	0.2
61.84319	0.2
69.35423	0.6
69.35831	0.8
71.01338	0.3
71.04705	0.2
71.04988	2.4
73.02875	0.3
75.04465	0.6
76.11429	0.2
77.03928	0.8
78.04698	0.8
79.05044	0.5
79.05482	7.6
80.06249	0.4
81.03407	0.3
81.07038	1.1
83.04945	0.4
85.02397	0.4
85.02889	3.8
91.05473	1.7
94.06565	0.3
95.04942	0.7
95.97702	0.2
96.08128	0.2
98.97575	1.9
105.03326	0.4
106.04156	2.7
106.06541	12.8
107.04942	18.5
108.05751	0.5
109.06503	1.8
110.06036	0.3
116.98588	1.0
118.06510	0.4
120.08054	0.3
122.06011	1.5
123.06804	2.0
124.07565	0.9
125.81034	0.2
129.05478	0.3
133.05244	0.7
134.03636	3.8
134.06000	13.4
134.99707	0.4
135.04393	9.4
136.06152	0.5
146.08102	0.4
148.03915	2.2
151.06265	9.9
152.07045	100.0
153.05421	0.4
153.07367	2.0
164.07092	0.2
169.96269	0.2
176.07024	0.9
193.10696	0.3
194.08083	2.5
224.09105	0.4
236.07132	0.4
239.11497	0.3
253.04881	0.3
254.08075	0.6
274.97479	1.7
280.11758	5.7
282.07501	0.3
292.98492	0.5
298.12820	17.5
299.07281	2.0
299.10217	1.4
299.13168	0.7
303.70868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12056	2.9
53.16123	3.2
54.25780	2.7
56.96561	23.8
59.04993	75.3
69.03421	7.0
70.16616	3.1
71.16535	4.8
74.15354	3.0
78.46500	3.1
85.02892	8.4
92.36296	3.8
98.97567	100.0
101.06007	69.9
116.98615	56.2
119.07024	26.4
119.12277	3.1
134.99672	16.3
136.06181	4.1
147.03241	4.0
151.57155	3.2
166.07208	5.9
166.44046	2.8
172.94368	5.4
173.01190	8.2
174.86334	3.0
187.89355	3.1
190.95454	5.8
191.02187	3.2
193.10828	3.7
216.98773	5.0
232.96355	7.1
234.99797	8.5
239.11214	3.2
256.96411	10.3
274.01547	6.3
274.97452	77.2
292.98477	44.5
298.12680	7.1
299.07376	50.0
316.02582	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	299.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33437	0.7
69.33826	0.9
81.77422	0.4
83.82330	0.4
135.10121	0.4
145.03322	0.4
173.02852	0.5
177.93594	0.3
181.59778	0.4
287.06052	0.5
299.07330	100.0
300.07712	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	299.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27117	0.4
61.11647	0.4
69.03425	0.5
69.65790	1.6
74.71819	0.3
78.06464	0.4
85.02911	0.7
97.02862	1.4
98.97542	0.7
101.00874	2.2
113.00871	0.8
115.02414	1.0
119.01859	2.3
127.02409	0.7
131.01868	2.0
133.03418	0.6
137.02049	0.5
139.02361	0.4
143.01877	1.6
145.03485	2.5
155.01854	2.4
157.03401	1.5
157.20599	0.4
161.02945	1.0
161.04590	1.9
163.53194	0.4
167.01860	0.7
169.03448	1.3
169.52640	0.4
170.05151	1.6
171.01195	0.6
171.05067	0.5
173.02948	2.7
177.04170	0.4
185.02893	2.6
193.03545	0.7
197.02905	2.3
199.04494	0.7
203.03964	1.5
209.02969	0.9
211.04575	0.6
218.06140	0.5
221.03033	0.6
221.05013	2.5
227.03918	0.9
239.04021	0.5
241.54588	0.6
259.06754	0.6
259.79248	0.4
269.05081	2.6
287.06049	4.5
299.07312	100.0
300.07779	2.9
317.07257	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	299.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53820	0.7
69.49947	3.7
78.04707	10.3
78.32071	0.8
79.05479	16.2
80.05009	0.8
80.05838	0.9
80.06252	4.6
81.07041	0.8
82.04179	0.8
94.06533	2.4
95.04947	1.6
95.07323	2.1
96.04479	2.4
96.05747	1.1
98.22620	1.6
103.87635	0.8
106.04164	30.7
106.06540	38.4
107.04947	12.5
107.06859	2.0
108.05852	4.4
110.11358	0.7
113.92986	0.8
119.30460	0.9
120.04441	1.4
121.30359	0.7
122.06023	17.8
123.06801	15.0
133.05228	12.3
134.02589	1.1
134.03632	42.8
134.05992	47.5
135.04500	3.8
135.06322	1.8
136.04735	1.6
148.02718	1.1
148.03905	22.0
150.05499	3.3
151.06264	100.0
152.07047	33.5
153.07390	17.6
187.04910	1.1
236.06989	2.2
254.08110	3.5
281.09320	1.3
281.12146	1.8
282.07651	2.4
299.07242	12.2
299.10229	19.0
299.13193	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	299.1275
Annotation	CHEBI:70658
Peak:m/z	Relative Intensity
53.03925	0.3
55.01873	0.6
55.05527	0.3
60.70875	0.2
67.05499	2.4
67.75939	0.2
69.03407	0.4
71.43372	0.2
71.43790	0.2
72.55103	0.2
77.03938	0.5
79.01852	0.7
79.05481	2.9
81.03411	0.6
81.07032	1.1
83.01339	2.3
89.03935	0.4
91.05454	0.5
93.07018	1.1
95.04949	0.9
95.08597	4.9
97.02884	0.3
105.04510	0.3
105.06988	0.4
107.04239	0.3
107.04942	5.2
107.08567	1.4
109.02889	0.9
109.10143	8.2
109.73943	0.2
110.10509	0.2
117.03357	0.3
119.08589	0.2
121.10136	1.5
123.04429	0.3
131.04906	0.7
135.04398	12.5
136.04762	0.4
137.02283	1.0
145.02872	0.3
145.22841	0.2
149.02399	0.2
149.05980	0.6
153.07065	0.2
159.04341	0.4
163.03879	14.8
164.04228	0.4
173.12921	0.2
175.03931	0.2
175.07498	0.2
177.05447	0.6
179.03336	0.7
183.07928	0.2
190.02577	0.4
191.03365	100.0
192.03688	2.7
192.05228	0.2
193.04977	1.1
195.43330	0.2
199.03836	0.3
203.07074	0.2
205.04938	5.9
206.05176	0.3
211.07570	0.4
215.07117	0.2
217.04977	0.2
219.06471	1.2
229.08405	0.3
232.06044	0.3
243.06561	0.8
257.08047	1.5
271.09552	0.2
284.06662	0.2
299.07089	0.7
299.09259	1.0
299.12698	19.0
300.09906	0.3
300.12903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1274
Annotation	CHEBI:67436
Peak:m/z	Relative Intensity
55.01873	0.7
55.05507	0.3
58.20424	0.2
65.03937	0.2
66.18999	0.1
67.05497	2.0
68.99812	0.2
69.78548	0.5
77.03928	0.4
79.01847	0.5
79.05482	3.3
80.05819	0.2
80.61822	0.1
81.07037	0.7
83.01331	2.7
89.03909	0.3
91.05454	0.7
93.07044	0.9
95.04964	1.1
95.08594	4.4
95.22811	0.1
98.97578	0.2
103.05458	0.2
105.04513	0.4
105.07015	0.3
107.04938	7.0
107.08585	1.7
109.02882	0.2
109.10139	8.0
116.98613	0.2
117.03379	0.3
121.02927	0.2
121.10126	1.2
131.04895	0.7
135.04401	14.1
136.04741	0.3
137.02325	0.7
145.02817	0.4
147.04379	0.3
149.02396	0.1
149.05981	0.4
159.04424	0.2
162.03120	0.1
163.03880	16.7
164.04216	0.4
169.06509	0.1
177.05467	0.5
179.03407	0.4
190.02608	0.5
191.03362	100.0
192.03708	2.7
193.04907	1.2
205.04939	5.9
211.07481	0.2
213.42577	0.2
215.03241	0.2
215.50061	0.1
219.06511	1.5
229.05017	0.3
232.05927	0.3
243.06419	0.4
257.08105	1.0
268.48392	0.2
279.86908	0.1
299.09079	1.8
299.12677	17.4
300.13043	0.9
306.49634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05499	6.8
57.03430	0.9
57.07072	1.0
57.20890	0.4
59.04996	0.6
61.98795	0.5
67.05490	6.3
69.03416	77.9
69.07057	10.0
71.04977	1.8
71.08631	0.6
71.36580	0.5
71.44427	0.5
72.39700	0.5
73.02914	2.0
77.96653	0.5
79.05485	4.1
79.08205	0.5
81.07038	9.2
83.08605	9.4
83.75936	0.5
85.06499	0.9
91.05466	1.7
93.07031	7.5
95.04957	1.0
95.08582	3.0
97.02875	100.0
97.06506	2.1
97.10159	1.3
98.03222	1.7
98.97549	1.2
105.04501	0.6
105.06998	0.8
107.08568	5.0
109.10130	1.5
111.08038	2.4
115.03908	86.9
116.04266	1.4
116.98589	0.5
121.10133	2.1
133.04996	0.7
145.10144	0.6
147.11578	0.5
149.13232	7.5
167.14326	3.8
169.09912	0.6
196.12227	0.5
223.13408	0.5
257.06186	0.5
275.97751	0.6
299.07047	1.7
299.18243	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	299.2003
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
55.05505	2.8
67.05476	4.0
69.03435	2.0
69.07065	3.6
71.44310	2.0
72.34534	1.3
76.59711	1.2
79.05471	4.4
81.07042	3.4
81.34771	1.2
82.62702	1.4
83.04952	1.5
91.05470	23.9
93.07032	4.8
95.04942	2.4
95.08586	6.2
98.97567	4.9
101.06565	1.3
105.07018	15.2
107.08577	6.0
109.06471	1.9
109.10121	3.0
115.05466	2.2
116.06229	4.5
116.98579	3.9
119.04913	7.1
119.08552	13.0
121.10126	6.5
125.09573	3.4
128.06183	2.3
129.06973	4.7
131.08554	39.2
133.10115	3.2
133.60538	1.4
134.99677	2.1
135.08072	1.7
143.08484	3.8
147.08051	1.8
147.11732	1.7
149.09579	4.6
155.08472	1.5
156.09303	3.0
157.10115	5.7
159.08037	100.0
160.08479	2.3
169.10103	2.9
171.11659	3.9
173.09573	2.0
183.11722	1.8
185.09599	2.1
189.12738	7.3
197.13222	3.2
199.11194	5.4
201.12790	1.8
213.12700	2.5
221.13319	2.9
225.12746	3.4
239.14224	2.0
239.17892	1.5
243.13644	2.3
248.15446	2.1
257.18939	2.6
263.05347	1.4
263.17914	4.3
275.97748	3.1
281.18936	24.4
299.07330	8.2
299.20016	59.0
300.20279	2.1
304.88116	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.04097	1.3
55.05494	5.2
57.03419	1.3
57.07049	1.5
59.04985	1.9
60.04497	2.0
65.03920	1.2
67.05495	19.7
69.03407	4.0
69.07059	5.6
69.41555	1.2
70.06561	2.3
71.04977	1.8
71.44476	1.2
79.05485	15.5
81.03396	2.0
81.07045	29.7
83.04992	2.3
83.08583	2.0
87.85458	1.3
91.05464	20.5
93.07034	34.0
95.04948	7.0
95.08595	25.2
97.06529	3.5
99.04438	2.2
99.84054	1.4
103.05415	1.5
105.07011	36.7
107.04955	2.5
107.08582	20.0
109.06509	4.4
109.10132	9.9
111.08088	1.6
113.05945	1.3
115.05444	2.9
116.98547	1.6
117.06996	12.2
119.08556	22.2
121.06510	5.1
121.10114	9.7
123.08076	5.6
125.09644	1.6
128.06190	3.1
129.06990	12.2
130.07791	4.5
131.08554	25.6
133.10103	19.7
134.99686	1.7
135.08069	3.1
135.11673	3.8
137.05914	3.1
137.09601	3.5
141.07007	3.7
142.07767	5.1
143.08539	20.8
144.09370	5.0
145.10095	26.4
147.08060	4.2
147.11673	7.3
149.09581	2.8
149.13290	1.6
151.07608	1.8
151.11259	2.1
155.08549	9.4
156.09171	1.6
157.10112	21.6
158.10933	4.3
159.08038	2.9
159.11656	21.7
161.09589	7.9
161.13254	5.1
163.11147	2.8
165.06982	1.5
165.09097	4.8
168.09306	1.6
169.10100	10.8
171.11664	16.4
172.12294	2.3
173.09601	2.9
173.13217	4.7
175.07520	3.2
175.11177	4.6
177.09207	1.5
181.10097	2.5
181.75235	1.4
183.10208	2.2
183.11621	11.2
183.13115	1.7
185.09657	1.7
185.13229	17.0
187.11127	3.2
187.14795	4.1
189.12738	4.0
191.10577	1.8
195.02831	2.0
195.11760	1.9
197.13228	14.0
199.11179	1.7
199.14745	13.8
200.15529	13.4
201.12872	2.8
203.10524	2.1
203.14305	2.6
205.12166	3.3
207.11742	2.2
207.13927	1.3
209.13330	2.1
211.14830	6.0
213.16316	2.8
215.14362	1.5
221.13327	1.5
223.14818	2.9
225.12712	2.5
225.16281	16.3
231.34418	1.3
239.07091	1.7
239.14359	1.8
239.17953	1.8
241.15744	1.8
243.13857	2.1
253.08504	1.7
253.15807	2.0
253.16901	1.9
253.19505	22.1
263.18018	2.5
271.16962	1.5
271.20563	3.4
275.97473	1.7
281.19019	13.5
282.14746	1.8
299.07144	12.0
299.12766	3.3
299.20056	100.0
300.20422	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	299.2002
Annotation	Totarolenone
Peak:m/z	Relative Intensity
55.05493	2.5
57.07047	1.1
61.30365	0.9
61.50997	0.9
67.05479	2.4
68.35316	0.8
69.03414	1.2
69.07048	2.1
69.92050	0.7
70.01733	0.9
70.02087	2.6
75.59212	0.8
79.05478	4.6
81.07038	3.8
83.04980	1.4
83.08598	2.4
85.06543	0.9
91.05468	35.6
93.07029	7.0
95.04958	1.3
95.08587	5.6
97.06465	0.9
98.23328	0.9
98.97562	4.1
103.05464	1.3
105.07015	20.0
107.08588	7.0
109.06470	2.8
109.10133	1.1
115.05428	2.8
116.06215	8.6
116.98617	3.3
117.07030	1.5
119.04907	8.7
119.08567	14.8
121.10138	6.4
123.08052	2.9
125.09608	3.6
129.06984	9.9
131.08549	46.5
131.17044	0.8
132.08870	1.2
133.06474	1.4
133.10097	3.7
134.99609	2.0
135.08046	1.7
135.93594	0.9
141.06932	1.3
142.07721	2.4
143.08528	2.8
145.06436	1.3
145.10091	3.7
147.08025	1.2
147.11676	1.9
149.09573	4.7
155.08559	2.2
156.09279	2.4
157.10100	6.0
158.10822	1.1
159.08031	100.0
159.11664	3.2
160.08363	2.7
161.09555	2.7
161.13176	1.2
163.11122	0.9
167.08511	0.9
168.09229	1.0
169.10089	2.6
171.11664	3.7
173.09592	1.2
175.11241	1.4
176.11761	0.8
181.10078	1.5
182.10933	1.2
183.11656	3.2
185.09595	1.0
187.11140	1.9
189.12761	2.9
193.10031	2.1
195.11664	1.3
197.09647	0.8
197.13232	2.7
199.11134	6.8
199.14673	0.9
201.12764	3.4
202.14496	0.9
206.10840	1.9
207.11594	1.9
211.11084	1.3
213.12727	1.2
215.14343	1.7
221.13217	2.1
223.14758	2.1
225.12720	3.8
233.13092	1.2
234.13994	0.9
239.14342	2.5
239.17851	1.9
243.13780	2.1
257.18951	2.9
263.17926	3.9
274.97299	1.2
275.97739	3.4
281.18951	20.7
282.19278	1.5
293.98654	1.3
299.07251	10.8
299.20007	43.6
300.20361	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
55.05503	2.0
56.96551	1.5
58.99546	1.4
67.05482	2.7
69.03407	2.0
69.07069	2.3
69.63264	4.2
71.58958	1.3
76.24525	1.2
79.05470	6.9
81.07047	4.5
83.08600	3.1
91.05473	31.5
93.07033	4.7
95.08601	6.4
97.02892	1.3
97.06564	1.4
98.97579	6.7
103.05463	1.7
105.06987	13.1
105.07520	1.2
107.08577	6.7
109.06500	2.4
109.10138	1.3
114.45544	1.3
116.06200	9.0
116.98622	3.6
117.07032	2.3
119.04916	7.6
119.08571	14.8
121.06496	1.3
121.10135	4.4
123.08050	2.8
125.09637	3.8
129.06963	7.3
129.81519	1.3
131.08545	42.5
131.36844	1.4
133.10123	3.5
134.99623	2.5
137.66467	1.3
143.08577	2.4
145.10086	3.5
147.11720	1.3
149.09631	3.7
155.08492	2.4
157.10094	6.6
159.08028	100.0
160.08383	2.1
161.09586	2.8
161.13287	1.9
169.10100	2.3
171.11714	3.9
175.11159	1.4
182.10980	1.6
183.11606	1.6
185.09601	1.9
189.12708	3.6
193.08154	1.2
193.10080	2.2
195.16103	1.6
197.13235	2.3
199.11151	4.9
201.12686	2.4
207.11617	2.2
211.14706	2.0
215.14302	1.5
221.13222	1.4
223.14801	2.1
225.12729	2.8
239.14111	1.7
243.13763	2.1
253.19569	1.9
257.19092	3.1
263.17883	4.4
275.97815	3.9
281.18936	18.5
293.98892	2.9
299.07294	15.5
299.19998	40.4
300.07776	1.8
300.20328	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	300.024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	9.2
58.52047	2.7
70.68401	4.2
70.95842	3.9
76.72363	2.3
76.94328	2.3
98.97574	100.0
109.34074	2.4
116.98615	54.5
119.01923	3.9
134.99643	17.4
146.35866	2.5
153.00720	2.8
167.25974	2.8
177.00969	6.7
179.00769	6.7
192.94835	3.8
210.95895	8.1
216.50351	3.2
219.01953	17.4
220.02034	6.8
221.01807	4.5
233.96883	3.0
234.96039	4.6
245.01942	5.0
252.96945	11.2
257.96844	3.8
258.99741	59.5
259.99908	3.1
262.03064	3.6
263.02817	30.3
275.97891	6.6
276.97040	17.4
277.00787	84.1
277.03879	4.7
278.01025	4.4
278.25922	2.8
282.99948	9.2
294.97852	12.7
299.97977	9.8
300.09906	7.7
300.97815	5.0
301.01083	10.5
303.53601	2.8
307.74805	2.7
317.98849	24.9
318.98550	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	300.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27692	1.8
67.05486	2.1
69.38977	8.1
70.06580	3.6
76.34389	1.6
79.68936	1.9
81.07021	3.3
91.05450	2.4
95.08585	2.1
116.98556	2.0
138.06226	1.9
153.06976	2.4
196.05118	2.8
197.05801	1.8
210.06264	2.2
211.07431	2.5
224.04637	3.2
239.07138	9.3
241.03563	1.9
241.09669	3.5
242.05539	2.8
255.11128	3.0
258.05157	4.7
268.05588	1.8
271.05905	3.1
272.08813	5.1
282.07242	16.2
283.10568	6.7
285.07565	17.7
286.04764	2.7
286.07870	2.0
300.08188	100.0
300.17703	3.2
301.07376	2.3
301.10590	5.3
301.13870	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	300.1593
Annotation	(S)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
55.01876	0.8
55.05524	1.1
55.69929	0.6
58.02973	2.1
67.05499	0.8
69.58028	1.4
69.58418	1.6
70.06579	1.2
72.04491	1.0
79.05491	2.0
80.05007	1.3
86.09744	0.9
91.05467	3.8
93.07059	1.0
95.04945	1.9
95.96362	0.7
97.11755	0.6
98.22806	1.0
98.97562	1.0
100.11256	2.2
103.05433	1.8
105.04510	1.0
107.04945	100.0
108.05273	1.6
108.08089	1.0
109.06506	0.7
114.09159	7.2
114.60863	0.7
115.05408	5.8
117.07012	1.7
119.04934	1.9
120.08095	4.1
121.06500	6.0
122.09657	3.4
124.07570	0.8
126.91101	0.7
128.20518	0.6
130.08586	1.1
131.04897	3.1
133.06487	2.1
137.05962	9.2
138.09138	1.5
139.09891	4.8
142.08607	3.8
142.12254	3.6
143.04921	10.4
144.05644	1.0
145.06488	9.0
147.07994	0.8
149.05969	3.7
151.03920	1.0
151.07498	2.5
156.10201	14.1
159.14909	1.4
160.05150	3.8
161.05930	1.0
163.07498	2.1
165.07094	0.7
166.07732	1.0
175.07539	13.5
175.49661	0.7
177.05397	2.6
178.08662	1.4
179.08490	0.9
180.10158	1.1
181.06479	1.6
181.10106	0.7
182.07230	1.1
183.08006	0.7
191.08504	3.6
192.10097	3.0
192.11667	0.8
194.07278	3.5
195.08063	1.1
197.05898	1.0
197.09587	4.7
202.03922	0.7
207.07924	0.7
209.09589	8.0
210.14833	0.9
211.07457	1.2
219.07939	2.5
225.09036	1.6
228.15727	0.7
237.09074	10.8
238.09509	1.1
254.09279	2.6
254.11687	0.8
255.05568	1.0
257.11591	2.8
269.08838	1.2
269.11697	23.3
269.18436	1.9
271.13174	1.4
300.15662	99.8
300.22849	2.7
301.08368	0.9
301.16028	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1802
Annotation	Isolycopsamine
Peak:m/z	Relative Intensity
53.03939	0.6
55.05495	0.5
56.05028	0.4
65.03931	0.5
67.04244	1.8
67.05480	2.0
68.05018	0.9
69.07099	0.4
69.11691	2.5
69.41821	0.3
70.06577	0.8
70.53381	0.4
73.06541	0.8
73.39762	0.3
79.05465	0.5
80.05006	3.3
80.77367	0.3
81.05773	1.0
81.07051	0.9
82.06570	9.7
85.43200	0.3
86.06045	1.0
87.62355	0.3
91.05463	0.9
92.04987	0.4
93.07019	0.9
94.06555	23.4
95.04961	0.7
95.06784	0.6
95.07339	6.8
96.04475	0.4
96.08115	13.8
97.20087	0.3
103.05460	0.7
108.08098	6.8
109.02874	0.4
109.06520	0.5
110.06023	1.8
110.09650	0.5
111.03508	0.3
112.07582	1.6
118.06532	0.7
118.22654	0.4
120.08086	26.0
121.08965	0.4
122.09634	0.4
138.09119	78.7
139.03896	1.1
139.09924	10.0
156.10179	40.4
157.10527	1.3
158.94183	0.3
195.01097	0.7
201.05429	0.5
254.08066	1.1
256.15378	0.5
282.07748	0.4
282.16980	0.5
300.07672	2.2
300.18002	100.0
301.12509	4.4
301.18250	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	300.1804
Annotation	Isolycopsamine
Peak:m/z	Relative Intensity
52.69544	0.3
53.03864	0.6
53.77881	0.4
55.05413	0.6
67.05422	0.7
68.04944	0.6
70.06480	1.5
72.08036	0.8
73.02792	1.0
73.06439	0.9
73.06821	0.4
79.05379	4.8
80.04891	1.6
80.70949	0.3
81.05700	0.3
81.06978	0.7
83.07281	0.3
84.08063	0.5
86.05964	2.8
86.09635	0.7
91.05370	7.1
91.05970	0.5
93.05717	0.6
93.06932	0.9
94.06454	0.9
95.04856	1.8
96.01653	0.3
96.04425	0.5
96.08115	3.0
98.97506	0.4
103.05454	3.2
105.04427	0.8
105.06969	0.4
107.04942	11.4
108.08112	3.0
109.06444	0.4
109.08775	0.9
110.05957	1.1
110.09673	2.1
111.06736	1.4
114.09077	1.2
116.98547	0.5
117.05727	1.6
118.06422	0.4
119.04795	0.3
120.08094	15.9
121.08933	3.9
122.09652	11.8
123.04391	0.3
124.07569	2.3
126.09087	0.7
128.10646	0.7
130.06470	0.7
130.08624	2.3
131.04863	1.1
132.13431	0.3
135.04398	2.0
136.06183	1.9
138.09131	3.6
139.09911	16.5
140.04657	2.4
143.04881	0.3
143.07260	0.3
146.05963	1.5
149.05942	0.6
153.05397	0.4
155.07033	3.6
156.10188	50.3
157.10518	1.4
167.31775	0.3
171.11290	0.3
175.07578	0.7
181.04938	3.1
181.10043	0.3
187.10776	0.3
208.11198	3.0
209.08142	0.7
210.14885	1.7
226.06360	0.4
227.09120	2.4
230.77188	0.3
236.10905	1.3
239.07216	0.5
240.12604	0.4
249.96996	0.3
254.11752	8.1
255.12154	0.6
256.15698	1.1
269.12042	0.5
282.17264	0.7
285.08038	0.9
300.12787	23.1
300.18042	100.0
301.12820	2.2
301.18384	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	301.0703
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.52862	0.2
55.05470	0.2
56.19471	0.2
67.05454	0.7
69.07045	0.4
69.28467	0.6
69.28877	0.6
71.04925	0.3
73.59657	0.2
74.24840	0.2
79.05459	0.4
79.48148	0.2
81.07029	0.9
83.08589	0.3
91.05441	0.5
93.07006	0.7
95.08598	1.0
98.22683	0.4
105.07036	1.0
107.08537	0.6
109.10120	0.3
119.08539	0.9
121.10091	0.3
131.08536	0.4
133.10030	0.6
135.08020	0.2
135.11665	0.3
143.08540	0.2
145.10065	0.4
147.11612	0.4
153.01788	1.4
159.11656	0.2
173.13159	0.2
229.04944	2.6
230.05418	0.3
257.04395	1.0
258.05188	44.1
259.05536	1.8
278.96631	0.2
286.04660	56.4
287.04965	1.9
301.07010	100.0
301.21472	0.9
302.07324	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	301.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	2.6
59.20677	0.4
60.11127	0.4
70.94341	0.6
75.88280	0.4
79.05481	0.6
95.04965	0.5
98.27499	0.4
98.97556	2.7
99.04436	0.7
105.03355	0.4
106.06535	0.6
107.04912	0.7
116.98601	1.4
122.05996	1.5
129.02193	0.5
133.02811	5.5
134.99623	1.0
142.01729	1.0
143.01904	0.6
150.05484	1.3
151.06317	0.7
153.07016	0.7
155.08519	0.8
160.02774	0.6
161.02966	0.9
165.06909	2.2
167.08519	0.9
168.05719	0.5
173.01186	1.2
176.24760	0.5
176.97435	0.5
177.00798	0.6
181.06448	0.7
183.08054	3.0
191.02235	1.3
193.06450	1.5
195.08028	1.0
197.05855	0.8
199.04463	0.7
199.07512	1.7
211.07491	11.0
216.98659	1.2
218.98352	1.0
219.01930	1.9
220.07613	0.9
221.05965	1.4
236.99539	1.9
237.27924	0.4
238.08521	2.3
239.06938	3.1
241.05438	0.9
256.09637	1.6
267.06537	0.7
269.54105	0.5
277.88937	0.5
301.08881	100.0
302.09283	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	301.0892
Annotation	59-43-8
Peak:m/z	Relative Intensity
55.01854	1.1
56.96555	2.8
58.24104	0.6
70.10400	0.9
70.10714	0.7
83.40683	0.7
85.64977	0.6
86.95184	0.6
95.04938	1.7
98.97552	4.7
99.04432	1.7
99.28381	0.6
102.96922	0.7
105.03376	1.8
106.04124	0.6
106.06555	0.7
107.04932	2.2
115.29473	0.6
116.98630	3.0
119.01859	0.9
119.04969	0.7
120.13013	0.5
122.06016	5.9
133.02827	26.8
133.05157	1.9
134.03639	0.9
134.06004	1.7
134.99638	0.7
135.04362	1.5
141.06992	0.9
143.01868	0.7
144.04422	0.5
145.02887	0.7
150.05501	6.7
151.06273	2.2
152.07068	1.8
153.06996	3.0
155.08504	2.9
161.02887	1.5
165.06981	13.9
167.08516	3.9
169.06512	1.7
171.04922	0.7
173.02426	1.4
177.00673	0.6
177.06952	1.5
181.06503	3.1
183.08031	14.5
193.06366	6.4
194.07185	1.5
195.08031	4.5
196.07446	0.7
197.05899	2.9
199.04579	1.6
199.07509	8.4
210.09125	2.3
211.07503	51.2
212.07817	1.6
216.98708	1.8
217.05611	0.7
219.01978	1.4
220.07538	3.2
221.01703	1.6
221.05933	8.1
223.07498	1.3
234.99617	0.7
235.57185	0.6
236.99451	0.9
238.08604	9.6
239.06972	15.4
239.09340	0.9
240.07237	0.6
241.05400	1.2
241.09146	0.6
248.07320	0.6
256.09610	5.7
258.99680	2.6
259.06555	1.0
266.08084	2.6
267.06546	3.2
277.00800	1.4
278.96628	0.7
283.10773	0.9
284.09155	1.7
285.07379	0.8
301.08881	100.0
301.11740	5.9
302.09201	3.2
319.01715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1068
Annotation	3'-O-Methylbrazilin
Peak:m/z	Relative Intensity
53.03938	0.7
65.03924	0.7
67.01871	0.5
67.05495	1.9
68.99792	1.1
69.19276	3.7
72.53551	0.6
73.38948	0.6
79.05487	7.7
81.07046	14.2
83.01308	0.8
91.05482	2.8
93.07027	2.2
95.04959	1.3
95.08598	1.1
97.06513	10.3
98.97549	1.2
103.05476	1.1
105.07013	2.2
107.08569	1.0
109.06503	3.6
112.11250	0.5
113.09575	0.6
116.98652	0.7
118.66293	0.6
119.04903	1.7
119.08534	1.2
121.02832	2.3
121.06493	7.3
126.27409	0.7
127.07526	2.5
131.04900	2.6
133.02847	8.7
134.03610	1.8
136.01582	0.7
137.05997	3.1
145.10158	0.8
149.02351	0.7
149.05974	4.7
153.01778	0.8
153.06912	0.6
159.04352	0.7
162.03090	13.7
165.05472	1.8
165.06877	0.8
167.08482	0.9
171.04298	0.8
177.05415	3.3
178.02548	5.1
181.06488	1.7
188.04684	0.8
190.02586	20.0
191.02980	0.6
193.04942	63.4
194.05354	1.6
195.08035	2.7
205.04938	100.0
206.05243	3.0
213.05510	1.2
213.09122	0.6
219.06480	1.1
223.07445	0.7
226.06110	0.6
227.06964	0.6
229.04964	1.1
230.91434	0.6
257.04623	0.7
258.05206	10.7
283.09555	5.1
285.03888	8.8
286.04691	30.5
287.04855	1.0
301.07013	37.2
301.10657	30.6
301.14035	2.0
301.21542	1.2
302.07330	2.8
302.11099	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1181
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
55.02122	0.2
65.03799	1.1
65.04169	0.5
67.05348	1.0
69.06946	0.3
69.38660	0.6
69.39064	0.9
71.56924	0.2
79.05378	0.6
81.06904	0.8
82.02818	0.4
83.14954	0.3
91.05356	0.6
92.04827	1.2
93.03286	0.3
94.06398	0.8
94.06934	0.3
95.04838	0.5
95.08453	1.0
98.23480	0.3
106.06384	0.3
108.04345	0.4
118.06401	0.4
120.04283	1.7
122.05832	1.0
125.96848	0.3
129.06831	0.5
130.06403	0.4
131.08391	0.3
133.09993	0.3
136.07549	2.0
143.08423	0.4
144.07887	0.8
145.08803	0.3
145.09976	0.3
146.05878	0.4
148.03795	0.6
149.05852	0.4
152.06058	0.4
153.06833	1.0
154.06346	0.7
154.07559	0.5
155.08400	0.4
158.09514	0.4
159.09052	0.6
160.07492	0.4
161.06981	0.4
162.05460	1.4
165.06856	1.2
167.07126	2.3
167.08508	0.6
168.07950	1.1
169.07512	0.5
169.08742	1.1
169.09979	0.4
170.08376	0.5
170.09544	0.4
172.07462	0.3
172.11111	0.3
173.06979	0.5
173.08266	0.6
180.08075	0.5
181.06354	1.0
181.08867	0.3
182.09668	2.5
183.06648	0.4
183.09154	2.1
184.07513	0.4
184.09807	2.7
184.11192	0.9
185.10597	0.9
186.09111	0.5
187.08702	2.4
189.10188	0.3
192.07930	0.5
194.08246	0.3
195.06572	0.4
196.07452	0.9
197.06947	2.0
197.08377	0.7
197.10603	0.5
198.07806	1.8
198.09247	0.6
199.08467	0.8
199.12276	6.4
200.10686	0.7
200.12430	0.3
201.10251	0.4
209.10622	0.8
210.07170	0.3
210.09145	5.5
211.08589	5.3
212.09215	8.8
213.06747	0.3
213.10158	2.5
219.92307	0.3
222.07791	0.3
225.06554	1.7
225.10127	0.8
226.07458	1.7
226.10947	0.8
227.08075	1.1
227.11757	24.9
228.12050	1.0
237.10248	1.9
238.08629	1.7
238.10718	0.4
239.08058	2.1
240.08884	11.4
241.09720	9.6
241.18089	0.4
253.09729	0.7
254.10553	0.9
255.11249	100.0
256.11624	4.7
257.12762	2.8
269.08157	0.3
273.12299	0.8
283.10742	17.1
284.11234	0.7
286.04807	0.5
301.07352	0.5
301.11768	15.2
301.21536	0.4
301.25516	0.5
302.12119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05513	2.2
61.71494	0.3
67.05476	0.7
68.99763	0.6
69.03396	0.5
69.07023	1.4
79.05488	2.0
81.07049	2.2
83.01323	1.8
83.08586	1.2
83.74975	0.3
91.05470	2.3
93.07043	1.7
93.07509	0.4
93.21014	0.3
95.04924	1.5
95.08593	0.7
97.06474	0.6
98.97556	0.6
103.05418	1.1
105.04419	0.6
105.07007	0.9
107.04929	2.1
107.08592	0.5
109.06477	0.9
109.10101	1.1
114.16430	0.4
115.05446	0.6
117.06961	0.4
119.04922	0.9
119.08555	0.7
121.06484	6.3
128.06172	0.8
129.06996	0.8
131.04929	4.2
133.02832	1.1
133.06511	0.4
133.10123	0.5
134.03625	1.7
135.04407	3.8
137.05922	0.9
143.04909	0.6
143.08524	0.5
145.02850	0.4
145.06468	0.6
147.04388	1.3
149.02238	0.4
149.05949	3.5
153.01854	2.1
153.06932	0.9
157.06496	0.8
159.04456	1.8
161.02321	0.4
161.05946	0.8
162.03102	10.8
163.03871	5.9
163.07620	0.5
165.05440	1.2
165.06917	0.8
167.08496	0.7
169.06500	0.4
170.07188	0.4
171.04369	0.9
171.08023	0.5
175.03911	0.8
175.07599	0.4
176.04681	0.4
177.05449	3.2
181.04872	0.9
181.06439	1.2
185.05930	1.0
189.05443	1.5
190.02588	18.4
191.03363	37.5
192.03735	1.3
193.04951	5.3
195.08029	2.0
197.05984	0.8
198.06720	1.1
199.03860	1.3
199.07545	0.7
203.03271	0.6
203.07019	0.7
205.04938	89.6
206.05264	2.6
212.04573	0.5
213.05432	2.3
213.08907	0.6
217.04874	0.5
217.08478	0.5
219.06493	10.7
221.04434	2.2
223.07501	0.9
225.05432	0.4
226.06190	0.9
227.06978	1.1
229.04926	3.2
230.05591	0.7
231.06450	2.6
233.08078	3.7
241.08644	1.8
245.08081	2.9
247.09608	0.8
257.04471	1.6
258.05200	55.3
259.05600	2.8
259.09521	2.7
269.08154	0.6
271.09515	0.7
273.07544	0.5
273.11194	0.9
283.09634	3.8
286.04675	61.1
287.04999	3.2
301.07065	100.0
301.10605	9.9
301.14307	8.2
302.07422	5.5
302.10733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	10.7
55.05495	17.2
57.07054	5.0
67.05495	41.0
69.03419	76.6
69.07053	19.4
69.33765	21.2
70.06546	3.9
71.04978	21.0
72.08114	4.6
73.02869	4.3
79.05490	23.8
81.07046	76.2
83.04983	7.0
83.08597	3.9
84.08148	4.6
85.06525	21.6
88.28849	3.8
91.05477	29.7
93.07037	37.3
95.04948	9.7
95.08591	51.3
97.02876	93.2
97.06519	9.6
105.07017	31.3
107.04948	3.8
107.08577	26.5
109.06522	5.4
109.10143	29.8
111.08059	58.5
112.11235	5.1
115.03918	100.0
117.07008	5.7
119.08566	15.6
121.06490	10.7
121.10133	14.8
123.11696	17.8
129.07077	4.2
131.08562	12.0
133.10136	32.3
135.08049	8.2
135.11678	5.9
137.05966	11.4
141.06943	4.4
143.08548	8.6
145.10118	16.3
147.11737	8.2
149.05960	51.4
151.03874	13.6
151.04953	4.8
151.11179	29.5
153.06970	14.2
157.10153	6.7
158.08107	4.9
159.11685	10.5
161.09592	6.8
161.13318	6.8
163.11279	3.7
165.06946	7.7
165.09068	4.3
167.08604	4.9
169.06487	3.8
169.12151	23.6
175.11060	5.2
177.05437	46.8
181.06470	10.8
188.08929	6.2
195.07967	5.2
197.06018	4.8
197.09711	6.2
198.06757	7.3
201.16466	4.7
213.09106	7.1
215.07047	5.0
241.08728	9.6
255.11194	10.0
269.08014	6.1
273.11212	5.5
274.57712	3.8
283.15332	4.4
283.20499	9.8
301.10721	41.0
301.14111	14.7
301.21552	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	302.027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61468	19.3
54.34837	20.8
56.96553	24.8
70.78604	25.9
80.09612	19.2
84.08112	20.7
84.25209	20.2
84.95919	18.3
127.26237	18.3
133.98201	21.3
134.05945	32.3
136.07553	32.4
152.07028	54.4
164.07018	35.5
166.05028	24.8
194.07979	20.8
201.08650	100.0
202.08723	30.0
224.09084	29.2
230.08047	21.8
248.09143	38.2
284.11304	71.2
296.64145	19.0
302.02701	86.5
302.08224	20.7
302.12622	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.38041	1.0
55.01857	1.4
57.03419	4.0
61.02909	3.1
65.03941	2.0
67.05492	35.3
69.03423	14.7
69.07059	18.0
69.53844	4.5
81.03400	4.9
84.08150	1.5
85.02893	47.2
85.03414	2.4
94.06555	2.2
95.04951	50.6
96.05250	1.2
97.02878	40.2
97.58754	1.2
98.22638	1.4
99.04417	1.6
103.03924	4.0
109.02856	10.1
112.07586	31.4
113.05986	4.7
115.69163	1.1
122.06018	1.9
124.07620	1.8
127.03902	9.2
136.07550	1.8
140.07039	100.0
141.07341	2.3
145.04948	3.3
152.16254	1.0
154.08563	5.5
158.66774	1.1
164.07072	1.3
178.08643	2.9
182.08101	64.6
206.08101	15.6
218.08125	3.2
222.58983	1.2
236.09178	1.9
248.09215	10.0
262.70676	1.0
266.10254	1.4
284.11200	1.0
302.12482	1.7
303.13266	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03429	3.3
61.02924	3.2
65.03953	1.6
67.05501	35.0
68.05845	1.3
69.03421	17.4
69.07064	17.0
69.89429	2.9
71.04989	1.4
72.67681	0.9
73.02910	2.3
81.03419	5.5
84.08151	2.5
85.02897	51.0
94.06547	1.4
95.04957	54.4
97.02884	42.8
101.02413	1.2
103.03952	3.8
108.14749	1.1
109.02863	9.0
112.07591	37.0
113.06024	3.6
122.06049	2.2
123.04421	1.3
124.07599	2.2
127.03918	9.0
136.07552	2.7
140.07048	100.0
141.07434	2.0
145.04942	3.1
147.36089	1.2
150.09090	1.3
152.07159	1.4
154.08627	5.5
166.05005	1.6
175.17969	1.0
178.08611	1.7
182.08112	62.5
183.08412	2.0
194.09700	1.9
206.08092	14.7
218.08084	1.6
236.09157	2.4
248.09163	11.6
257.08041	2.3
284.11331	1.7
302.12643	3.9
303.13501	2.5
312.09518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1958
Annotation	(-)-Floridinine
Peak:m/z	Relative Intensity
55.05488	0.8
62.66711	0.3
70.06575	1.0
70.47752	0.6
70.48058	0.3
72.07851	0.3
72.08147	4.0
72.17639	0.3
73.06538	0.6
74.33869	0.3
81.07045	0.6
82.06526	0.7
82.99288	0.3
83.07345	5.2
84.07648	0.5
84.08128	4.7
85.02882	2.2
86.09699	2.7
89.55927	0.3
90.32118	0.4
94.06558	0.6
96.08109	0.6
97.02876	1.2
97.08894	0.8
109.02872	0.5
110.09670	2.5
122.06005	0.4
122.09654	1.7
123.12652	0.4
124.10310	0.5
124.11213	8.7
132.10181	0.6
140.07033	1.5
140.10684	5.9
141.11465	8.1
143.11784	2.6
152.07007	0.5
157.13448	0.4
158.11739	100.0
159.12120	2.5
164.07088	0.4
171.11218	1.6
182.08105	2.4
191.05528	0.7
206.08099	1.2
236.09058	0.4
252.15776	0.4
258.17010	1.6
284.08881	3.5
284.18481	1.1
302.09967	22.8
302.19562	88.8
303.10239	1.4
303.19849	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	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.0
62.27323	0.4
69.43838	1.7
74.59103	0.4
92.20191	0.4
98.97565	6.1
99.97884	0.5
101.00867	2.0
102.96855	0.8
116.98607	3.7
117.98846	0.5
119.01914	5.9
120.02005	0.5
120.97900	0.7
121.01641	0.6
134.99678	1.7
137.02924	1.6
158.99889	0.6
175.03006	0.5
177.00928	13.4
178.01019	3.4
178.18367	0.4
179.00719	1.4
201.00902	1.5
217.04005	2.3
218.04034	1.3
219.01967	23.8
220.02097	6.2
221.01784	2.9
225.00797	2.5
226.00992	0.6
236.96031	0.5
236.99863	0.5
243.01965	8.8
244.02179	2.3
245.01614	0.6
257.54947	0.5
258.99951	0.6
260.99918	3.4
261.03009	100.0
262.03159	33.4
263.02811	6.4
278.97131	1.2
279.00586	3.3
280.00961	0.8
283.00012	0.8
284.04770	0.9
284.99744	3.3
285.04562	0.7
297.97733	0.5
301.01025	1.2
302.93887	0.6
302.97211	1.1
303.00806	4.0
303.05713	4.8
304.01511	0.5
304.05319	1.1
320.98163	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03930	0.2
55.01860	0.3
65.03918	0.6
67.01855	0.5
67.05481	0.3
68.99777	2.5
69.03414	0.2
71.04933	0.2
79.05430	0.1
81.03413	0.9
81.07034	0.2
86.06061	0.2
93.03378	0.5
93.07033	0.2
95.04940	1.0
95.08586	0.2
97.02886	0.3
97.48175	0.1
99.04427	0.4
103.39859	0.1
103.40736	0.1
105.03360	0.3
105.07024	0.2
107.04942	0.3
109.02859	1.1
110.07203	0.1
111.00777	2.1
115.05462	0.2
117.07014	0.3
121.02841	2.5
123.04413	1.0
127.03866	0.7
129.07021	0.2
131.04904	0.4
133.02893	0.1
133.06433	0.2
134.69554	0.1
135.04370	0.6
137.02324	8.2
137.03391	0.7
137.05916	0.6
138.02652	0.2
139.03899	0.2
141.06970	0.1
142.08643	0.2
145.06476	0.8
147.04405	0.4
149.02324	0.9
149.05908	0.2
151.03891	0.6
152.07074	0.2
153.01804	10.2
154.02074	0.2
154.04918	0.2
155.04892	1.2
155.06023	0.3
157.06511	0.2
159.04390	0.3
161.05963	0.8
163.03880	1.3
165.00427	0.2
165.01820	4.2
166.02583	0.6
171.02861	0.2
173.05981	1.4
177.01845	0.2
177.05437	0.3
179.03320	0.2
183.02861	1.8
183.04417	0.9
185.05975	0.2
187.03902	1.1
191.03380	0.4
191.06921	0.2
195.02829	0.4
200.04678	0.2
201.05443	4.2
202.05823	0.2
205.04933	0.5
207.02881	0.2
211.03943	0.4
213.05499	0.3
215.03387	0.3
219.02863	0.4
219.06516	0.7
228.04112	0.7
229.04922	9.5
230.05141	0.3
232.03566	0.2
233.04413	0.2
239.03395	0.4
245.04462	0.2
247.05937	1.3
257.04395	5.8
258.04852	0.2
274.04730	1.6
275.05576	0.3
285.03876	2.7
286.04449	0.2
303.04941	100.0
304.05286	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	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01857	0.3
57.03430	0.2
65.03924	0.6
67.01860	0.3
67.05483	0.5
68.99785	2.3
69.03427	0.3
69.56088	0.4
69.56501	0.3
70.06570	0.2
79.05481	0.2
80.15313	0.2
81.03402	0.8
81.07047	0.4
91.05464	0.4
93.03391	0.7
93.07047	0.2
94.06547	0.2
95.04978	1.1
95.08601	0.3
97.02854	0.2
99.08080	0.2
103.05460	0.2
105.03372	0.2
105.07014	0.4
107.04942	0.4
107.08557	0.3
107.54188	0.1
109.02846	1.1
109.06512	0.3
109.10184	0.1
111.00786	1.7
111.04436	0.2
115.05417	0.2
117.06999	0.4
119.04974	0.2
121.02852	2.1
121.06509	0.1
122.03637	0.1
122.06013	0.5
123.04427	0.7
123.08034	0.2
127.03909	0.6
127.05412	0.1
131.04897	0.3
135.04364	0.5
135.08002	0.2
136.07585	0.3
137.02332	7.9
137.03383	0.5
137.05965	0.4
138.09119	0.2
145.02800	0.2
145.06517	0.9
149.02332	0.9
153.01810	11.2
154.02158	0.3
155.04916	1.0
155.06012	0.2
159.04399	0.3
161.05933	0.8
163.03876	1.2
165.01820	3.8
165.03166	0.2
165.06961	0.2
166.02560	0.5
167.03352	0.2
171.02843	0.2
173.05988	1.6
175.03864	0.2
177.01790	0.3
177.05470	0.2
179.03371	0.5
183.02853	1.7
183.04417	1.2
183.07942	0.1
187.03879	1.2
191.03429	0.5
191.07004	0.3
195.02821	0.5
201.05449	4.4
205.04941	0.5
207.02864	0.3
211.03922	0.3
213.05424	0.3
215.03349	0.3
219.02960	0.3
219.06483	0.5
228.04094	0.9
229.04930	10.7
230.05295	0.4
232.03838	0.2
233.04514	0.2
239.03430	0.4
245.04460	0.2
246.05214	0.2
247.05969	1.4
257.04410	5.3
257.12823	0.5
258.04984	0.3
271.09778	0.3
274.04733	1.4
275.05362	0.6
285.03885	2.4
286.04498	0.3
303.04950	100.0
304.05298	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.59479	0.1
51.45042	0.1
53.03918	0.2
55.01861	0.4
55.05512	0.1
65.03916	0.7
67.01842	0.3
67.05493	1.3
68.99779	2.3
69.03404	0.4
69.07079	0.2
70.06599	0.2
70.13283	0.1
71.01311	0.2
77.03922	0.2
79.05476	0.6
80.36894	0.2
80.41732	0.1
81.03408	1.0
81.07038	0.6
86.09673	0.7
91.05473	0.8
93.03391	0.7
93.07017	0.6
94.06533	0.5
95.04950	1.2
95.08596	0.4
97.02872	0.4
97.06522	0.3
103.05436	0.2
104.43780	0.2
105.03371	0.2
105.06950	0.4
107.04964	0.3
107.08571	0.3
109.02878	1.1
109.10130	0.3
110.07150	0.2
111.00785	2.2
111.04432	0.2
115.05392	0.2
117.06960	0.4
119.04932	0.5
119.08552	0.3
121.02848	2.0
121.10069	0.3
122.06001	1.0
123.04416	0.7
123.08054	0.2
127.03893	0.5
128.06160	0.3
129.07005	0.3
130.06456	0.3
131.04929	0.4
131.08543	0.2
133.02831	0.3
133.06465	0.3
133.10120	0.2
134.05954	0.3
135.04355	0.6
135.11659	0.2
135.67331	0.2
136.07555	3.9
137.02328	7.9
137.03421	0.6
137.05920	0.4
143.04900	0.2
143.11775	0.4
145.06477	0.9
145.10062	0.2
146.05991	0.5
147.04341	0.8
147.11658	0.2
149.02321	0.8
151.03830	0.2
153.01805	10.0
154.02171	0.2
155.04887	1.2
155.06001	0.3
157.06419	0.2
158.11710	0.3
159.04390	0.5
160.07536	0.3
161.05920	0.9
163.03893	1.3
164.07025	1.7
165.01826	3.9
165.06894	0.2
166.02538	0.5
166.05028	0.2
170.09586	0.2
171.11449	0.2
173.05945	1.5
177.05472	0.3
179.03369	0.5
182.08089	0.7
183.02858	1.8
183.04436	0.9
183.08063	0.3
184.07497	0.4
185.05901	0.2
187.03882	0.9
187.12259	0.2
188.07031	0.3
191.03354	0.2
191.07063	0.3
195.02815	0.5
198.09131	0.6
201.05428	5.1
202.05745	0.3
205.04892	0.4
206.08040	0.3
207.02823	0.3
211.03792	0.2
211.07582	0.2
212.10707	0.2
215.11787	0.3
217.04826	0.2
219.02853	0.3
219.06421	0.6
226.09767	0.2
227.10559	1.7
228.04129	0.8
228.11340	0.3
229.04929	9.5
230.05240	0.3
239.03453	0.4
240.11395	1.2
243.11356	1.3
245.04512	0.3
246.04999	0.2
247.06027	1.3
249.24428	0.2
256.10767	2.6
257.04410	5.0
257.12827	0.5
258.05002	0.2
258.11105	0.4
268.10867	0.9
274.04724	1.3
275.05197	0.3
285.03918	2.4
285.08667	1.5
285.12299	1.9
286.11844	2.2
302.26877	0.2
303.04935	100.0
304.01929	0.3
304.05280	4.4
304.12888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03938	0.3
54.33944	0.1
55.01864	0.6
55.05488	0.3
63.24347	0.1
65.03923	0.7
65.83222	0.1
67.01844	0.4
67.05476	0.6
68.99775	2.3
69.03400	0.3
69.07042	0.3
70.95239	0.2
79.05479	0.6
81.03397	0.6
81.07043	0.5
91.05475	0.7
93.03425	0.7
93.07006	0.4
95.04928	1.2
95.08604	0.3
95.69405	0.1
103.05442	0.7
105.03358	0.4
105.07014	0.3
107.04929	0.6
107.08584	0.2
109.02854	1.3
109.10125	0.5
110.03672	0.2
111.00782	2.1
111.04430	0.4
115.05416	0.6
117.06975	0.5
117.36127	0.1
119.04887	0.4
121.02853	2.3
121.06493	0.6
123.04417	1.1
123.11684	0.7
125.05966	0.3
127.03897	0.5
129.06943	0.3
131.04906	0.9
131.08508	0.1
135.04401	1.6
135.07986	0.3
135.11723	0.2
137.02322	7.5
137.03407	0.6
137.05957	0.7
141.06955	0.2
143.04872	0.2
145.02786	0.3
145.06450	0.9
146.89574	0.2
147.04378	0.3
149.02328	0.9
149.05949	0.7
151.03911	0.3
151.07512	0.9
153.01804	11.1
153.05428	1.9
153.06929	0.8
154.02167	0.3
155.04898	1.2
155.06020	0.3
155.08517	0.3
157.06458	0.5
159.04401	0.8
161.05954	0.8
162.03081	0.2
163.03870	1.5
163.07512	0.6
165.01816	3.8
165.05565	0.3
165.06969	1.1
166.02550	0.7
167.03285	0.2
167.06972	0.2
168.05658	0.4
169.06433	0.2
173.05934	2.0
175.03923	0.2
175.07417	0.2
177.01874	0.2
177.05467	0.5
179.03352	0.6
179.04858	0.2
181.04919	0.9
181.06454	0.4
183.02847	1.7
183.04419	1.3
183.08008	1.5
185.05974	0.3
187.03838	1.0
191.03333	0.3
191.07077	0.3
192.04227	0.2
193.04933	0.2
195.02824	0.5
196.05219	0.3
197.05971	0.3
200.04630	0.3
200.08339	0.2
201.05437	4.8
201.09001	0.2
202.05858	0.2
203.03331	0.3
205.04921	2.3
207.02753	0.3
210.06789	0.2
211.03839	0.4
211.07518	1.2
213.05423	0.6
215.03339	0.3
215.10432	0.2
217.05046	0.2
219.02997	0.2
219.06491	0.9
225.09070	0.3
227.06924	0.2
228.04167	0.7
229.04929	10.1
230.05290	0.3
232.03566	0.2
233.04277	0.2
239.03397	0.5
239.06979	0.6
240.55080	0.2
243.10025	1.1
245.04250	0.3
247.06026	1.4
256.20895	0.2
257.04404	5.1
257.15332	0.3
258.04758	0.2
271.09668	1.7
272.10184	0.3
274.04623	1.5
274.07211	0.2
275.05487	0.4
285.03903	2.5
285.07129	0.3
285.12143	0.3
288.09827	0.4
303.04932	100.0
304.05289	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	303.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52097	0.7
56.96556	40.4
69.37297	4.2
70.06561	1.8
72.08155	4.2
74.97593	1.7
81.29787	0.9
83.97620	1.3
86.09683	4.7
87.66413	0.7
98.97565	13.7
102.09155	1.3
102.90270	0.8
115.03917	0.9
116.98611	9.4
127.03815	0.7
129.10222	1.1
132.08061	4.1
134.99605	4.4
139.81938	0.8
141.05466	1.3
141.06964	0.9
144.96768	1.1
159.11299	0.9
159.49390	0.9
167.07115	1.1
167.08562	1.8
174.02246	27.3
178.07806	1.1
179.08621	1.0
180.08107	4.5
181.06477	1.1
181.08879	1.6
182.09689	1.9
185.16521	1.9
186.02158	1.0
188.03806	7.5
190.01756	0.9
192.03290	50.5
193.03658	1.0
193.08821	2.0
194.09610	7.7
195.07973	1.0
196.07542	4.3
196.11206	1.2
198.09111	3.1
202.01701	1.3
204.03316	2.5
204.08061	2.9
206.04865	17.3
206.09656	2.6
208.02789	1.2
210.04326	8.6
213.16003	1.0
215.04878	21.9
216.03429	0.9
217.06439	18.4
220.02785	2.6
222.04372	3.3
222.09097	8.4
224.05872	2.8
224.10712	2.1
229.02786	1.6
231.04390	2.2
233.05960	15.6
233.08203	0.8
234.04352	1.1
235.07497	15.5
238.03819	1.4
240.10136	2.7
243.04350	7.8
247.03931	2.2
250.08600	3.1
258.04382	3.4
261.05426	100.0
262.05762	2.7
268.09531	1.1
276.05560	1.5
279.06479	69.1
280.06781	2.9
284.06989	2.1
285.12286	1.3
286.03729	1.4
303.06754	4.3
303.13696	45.5
304.05231	1.7
304.13754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	8.6
64.54182	3.4
69.11639	16.8
69.12041	7.9
70.06585	12.6
84.08118	5.2
85.02913	6.0
86.09692	7.8
95.04942	4.5
98.97574	12.0
99.04427	6.3
110.07161	13.8
113.05992	4.1
116.98593	5.1
119.01962	4.7
123.04403	16.1
123.07982	4.0
124.43387	3.7
129.10193	4.3
136.69061	3.4
141.05304	15.7
142.07919	4.5
145.06512	4.7
147.04362	10.0
151.03902	20.5
156.07751	3.9
158.05989	3.7
158.99672	5.1
172.94363	8.5
179.79152	3.7
180.08124	3.9
181.04820	3.4
185.04211	6.0
190.95366	12.2
194.09633	12.5
201.06039	4.2
204.08136	4.9
222.09077	23.0
237.02687	4.7
240.10107	5.3
250.08667	7.3
260.95935	5.3
268.09805	5.5
278.96912	13.1
296.98022	12.0
303.10419	100.0
303.13531	28.3
303.17279	6.9
304.11316	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	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99646	0.7
53.03920	0.7
61.71293	0.7
65.03925	0.9
65.82582	0.7
67.05501	0.9
68.99783	3.1
69.03421	0.8
79.05505	1.4
81.03399	1.0
86.09707	1.7
91.05478	1.1
93.03368	1.0
95.04959	1.5
95.08561	0.9
107.04926	1.0
109.02863	1.3
110.07177	0.9
111.00785	2.2
121.02851	2.8
122.06016	1.0
131.85974	0.7
136.07584	1.9
137.02338	8.7
137.03400	1.3
137.05980	2.1
140.80464	0.8
147.04369	1.1
147.98932	0.6
153.01813	10.7
155.04823	1.2
163.03900	1.4
165.01808	4.3
165.07051	0.9
171.09055	0.7
173.05965	1.9
183.04381	0.9
187.03940	1.2
191.07054	1.0
195.99948	0.6
201.05510	5.1
211.03969	1.1
229.04939	10.1
247.05960	0.8
257.04492	5.7
274.04803	0.9
285.03909	2.1
285.12418	1.4
293.43640	0.9
303.04944	100.0
303.08380	85.9
304.05240	4.8
304.08704	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	303.0861
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02368	0.6
53.03933	0.5
55.01861	5.2
55.05510	0.5
56.90242	0.2
65.03925	1.6
67.05497	2.7
68.99773	1.7
69.03421	1.7
70.03482	0.4
70.03806	0.4
70.06578	1.8
70.66781	0.2
70.92863	0.2
71.05002	0.4
71.06908	0.5
77.03917	1.1
77.46600	0.3
79.01835	0.5
79.05482	1.9
81.03405	1.7
81.07044	0.3
83.04962	0.8
85.02882	1.5
91.05460	4.1
93.03374	1.3
93.88712	0.3
95.04958	5.5
95.08584	0.3
97.00963	0.2
97.02872	1.4
103.05401	0.3
105.03367	2.4
105.04501	0.6
105.07005	0.3
107.04931	2.1
109.02859	2.4
109.06548	0.3
109.87823	0.3
111.04436	2.5
113.06013	0.3
115.05434	1.1
118.24445	0.3
119.04926	13.2
121.02856	1.6
121.06503	0.3
123.04412	72.8
124.04704	1.6
127.03912	2.0
129.07007	0.4
131.04903	0.4
133.02824	0.5
133.06444	1.3
135.04398	6.1
137.02318	2.2
137.05969	2.1
139.03879	22.3
140.04262	0.4
141.05438	0.7
141.06969	0.6
143.04903	2.1
145.06461	0.5
147.04384	34.4
148.04752	1.0
149.05974	0.5
151.03880	100.0
152.04218	2.6
153.05440	4.3
155.04860	0.3
158.11707	0.3
159.04417	0.6
161.05959	7.6
163.03876	8.7
164.04201	0.4
165.01743	0.4
165.05458	14.9
166.05769	0.4
167.07027	2.0
167.08379	0.3
169.06468	0.9
171.04427	0.4
173.05954	6.0
175.03886	1.2
175.07506	0.7
177.05472	1.3
179.03384	1.0
179.07034	2.4
181.04927	11.5
181.06403	0.7
183.02803	0.3
183.08003	0.4
187.03960	0.3
187.07507	0.9
189.05482	1.9
190.13857	0.3
193.04935	8.0
197.05951	1.2
199.07489	0.7
201.00327	0.3
201.05417	0.6
205.04892	0.3
207.06464	5.7
211.07503	0.9
215.06999	2.0
217.08577	2.9
221.06026	0.3
225.05502	0.3
239.07011	1.0
242.05923	0.3
243.06432	1.2
257.08075	0.8
261.07532	0.9
267.06494	1.0
285.04526	0.2
285.07507	5.7
303.08575	51.2
303.13614	4.2
303.19891	0.7
304.08923	2.4
304.11963	0.3
316.47925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
56.96556	3.0
69.51480	0.8
70.55984	1.4
79.05486	1.3
81.03415	1.4
84.75984	0.8
91.05494	1.6
98.97577	1.4
105.03375	1.9
106.06547	1.7
107.04939	5.4
115.03857	1.2
116.04964	1.3
118.06503	0.9
130.06480	2.1
132.04402	1.8
133.05228	1.6
134.05989	4.2
141.05203	61.5
146.06007	3.3
152.06166	2.3
153.06976	2.1
155.08482	1.2
156.08102	3.1
159.06786	1.3
160.07599	1.4
165.06987	2.5
166.07761	1.4
167.08551	8.1
168.08038	7.5
170.09627	7.2
173.01282	2.6
175.06215	1.2
177.06955	4.3
178.07785	3.0
179.08534	9.9
180.08052	17.1
181.06506	1.6
181.08682	1.5
182.09654	1.1
183.06700	2.2
184.07518	2.1
185.04204	16.4
190.95462	1.3
191.02235	0.9
192.08025	1.2
193.08914	3.9
194.09630	26.8
195.08000	5.9
195.09682	0.7
196.07521	6.0
196.11180	1.1
197.08313	1.4
198.09117	11.1
204.01849	1.0
204.08084	15.1
205.06502	2.5
206.09650	3.7
207.06557	1.0
208.07539	2.1
211.09979	1.0
212.10683	7.6
213.10257	1.9
216.10178	1.3
220.07602	1.3
221.08389	1.1
221.10596	1.1
222.09103	73.4
223.07497	5.4
223.09578	3.1
224.07053	1.6
224.10661	2.9
225.07756	1.4
225.09981	0.9
226.08517	4.2
232.07500	1.8
233.08206	1.7
240.10168	19.1
240.12445	1.6
241.09953	0.9
242.07993	1.9
243.11346	1.2
249.10121	1.5
250.08612	20.7
267.11221	2.4
268.09647	15.9
278.97064	1.3
285.12228	3.0
286.10754	4.6
303.10376	33.6
303.13388	100.0
304.10855	1.5
304.13696	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	303.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.2
51.25048	0.1
53.03947	0.1
55.01858	0.2
62.23790	0.1
63.15915	0.1
67.05484	0.3
68.99764	0.6
69.03423	0.2
69.99981	0.3
70.00349	0.2
77.03904	0.2
79.05474	0.5
81.07037	1.5
83.01331	1.4
85.06519	0.2
88.74551	0.1
91.05467	1.3
93.07028	1.7
95.04948	0.6
97.02848	0.1
103.05429	0.5
105.04475	0.2
105.06994	0.4
106.04118	0.3
107.04955	0.1
109.06479	0.3
111.08054	0.3
119.04896	0.5
121.02858	0.4
121.06487	5.9
122.06838	0.2
131.04910	1.8
133.02856	0.3
133.06517	0.1
134.03603	1.2
135.04353	0.1
135.11754	0.2
143.82843	0.1
147.04399	0.7
149.02315	0.4
149.05956	2.7
159.04402	0.4
161.02251	0.1
162.03091	11.4
163.03749	0.6
165.05438	0.2
177.05438	2.5
181.04945	1.0
181.38860	0.1
187.84715	0.1
189.05391	0.2
190.02576	19.3
191.02960	0.7
193.04964	1.1
199.07571	0.2
205.04926	100.0
206.05270	3.5
207.06564	0.2
219.06506	1.8
221.07999	0.5
227.07059	0.2
229.04895	0.3
243.06435	0.2
246.07544	0.5
247.09702	0.2
256.42560	0.1
259.09589	0.3
285.11157	10.1
286.11429	0.5
303.12213	7.6
304.12585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96263	0.2
58.38260	0.2
63.02377	0.2
66.32269	0.2
67.05495	0.4
68.99783	0.4
69.84404	0.3
69.84769	0.4
72.66573	0.2
78.04710	0.2
79.05488	0.3
81.07049	1.5
83.01328	0.8
85.06525	0.4
88.28854	0.2
91.05482	1.3
93.07027	1.5
95.04974	0.6
95.08591	0.3
98.22760	0.3
103.05453	0.8
105.06991	0.5
106.04181	0.4
109.06487	0.3
111.08061	0.3
119.04912	0.6
121.02822	0.2
121.06492	5.7
131.04915	1.8
133.02936	0.2
133.06477	0.3
134.03633	1.1
137.05925	0.2
147.04350	0.4
149.05966	2.8
156.89772	0.2
159.04410	0.3
162.03105	11.3
163.03600	0.3
165.05424	0.2
171.08122	0.2
177.05472	2.3
190.02589	17.6
190.46275	0.2
191.02884	0.5
193.04936	0.8
199.03755	0.2
205.04942	100.0
206.05292	3.0
219.06468	1.9
227.07082	0.2
229.04938	0.3
246.07585	0.5
259.09485	0.3
277.00940	0.2
285.11194	9.5
286.11423	0.5
288.05231	0.3
303.07776	0.6
303.12253	5.6
303.15723	0.2
303.23157	0.3
304.12616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14332	0.2
67.05490	0.2
67.95923	0.2
68.99757	0.6
69.03413	0.3
70.70982	0.4
79.05462	0.3
81.07041	1.2
83.01347	1.3
84.32186	0.2
85.06512	0.2
91.05466	1.2
93.07056	1.1
95.04958	0.6
103.05442	0.7
105.07024	0.3
106.04166	0.4
107.05006	0.3
109.06534	0.4
111.08040	0.4
119.04926	0.5
121.02860	0.5
121.06485	5.1
131.04893	1.4
134.03648	1.1
147.04395	0.6
149.02293	0.5
149.05966	2.4
158.15991	0.3
159.04337	0.4
162.03099	10.5
165.05482	0.2
177.05429	2.4
190.02586	17.6
191.02927	0.6
193.04930	0.7
203.79593	0.2
205.04936	100.0
206.05278	3.4
219.06477	2.2
229.05028	0.4
245.14174	0.2
246.07524	0.3
247.53284	0.2
259.09482	0.7
285.11166	8.5
286.11569	0.6
303.12210	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	303.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
56.96549	4.5
62.19737	0.7
68.57755	0.8
70.92136	1.2
79.05477	2.2
79.88427	1.0
81.03417	0.9
84.08132	1.1
91.05471	1.0
94.72663	0.9
98.97543	2.1
105.03371	2.5
106.06520	3.4
107.04947	8.1
110.07142	1.5
115.03944	1.1
115.05510	1.3
116.04959	2.7
116.98534	1.0
118.06501	0.9
119.01942	1.9
129.06984	1.5
130.06512	1.9
131.04880	1.0
134.05978	6.4
141.05205	45.7
142.05519	0.9
144.08086	1.1
146.06000	1.9
147.92371	0.9
152.06143	1.8
153.06921	2.0
155.07236	1.4
156.08054	3.9
158.05930	1.2
159.06738	1.4
160.07594	2.1
165.06960	3.3
166.07748	2.0
167.07268	2.0
167.08553	10.4
168.08025	7.7
169.08824	2.5
170.09604	8.4
172.94334	1.4
173.01147	1.4
175.06148	1.0
177.07057	5.5
178.06432	1.3
178.07799	3.1
179.08560	11.4
180.08040	21.1
181.06502	1.8
181.08722	2.1
182.09633	3.2
183.06744	2.1
184.07547	2.1
184.11162	1.3
185.04201	13.9
185.08109	0.8
190.95360	1.1
191.02255	2.0
193.08836	6.6
194.09628	35.7
195.08052	9.0
195.10014	1.5
196.07533	9.0
196.11174	2.4
197.08122	2.2
198.09116	14.3
203.07254	0.9
204.08043	19.2
205.06445	3.2
205.08751	1.5
206.09692	4.0
207.06683	1.5
208.07503	1.6
212.10675	8.5
213.10240	1.6
214.08592	2.0
216.10231	1.2
220.07401	1.3
221.08354	1.9
222.09102	88.9
223.07471	5.9
223.09445	4.9
224.07054	3.0
224.10666	2.6
225.07896	1.1
226.08585	6.7
232.07545	3.2
237.02989	1.1
240.10146	22.3
240.12447	1.7
241.09726	2.5
242.08055	2.0
243.11275	2.1
249.10204	2.0
250.08575	23.8
250.11105	1.4
251.06937	1.7
258.11148	1.0
267.11197	2.1
268.09644	17.8
285.12265	3.8
286.10748	3.7
303.10358	27.6
303.13373	100.0
304.13602	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	303.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74856	0.8
55.01866	1.0
69.12096	3.4
69.12500	1.7
71.76701	0.7
72.04528	1.0
81.12647	0.7
91.05486	1.2
104.04940	1.1
107.04929	1.5
115.05455	0.9
118.09303	0.8
129.07008	1.2
132.04445	1.4
141.06956	1.9
143.07277	1.2
146.05983	1.4
152.06152	1.8
153.06982	3.1
156.08049	1.7
157.05161	1.1
159.06689	0.9
165.06923	4.3
166.07837	1.0
167.07286	2.1
167.08548	11.7
168.08035	4.9
169.06470	1.1
170.06024	2.7
170.09662	4.3
176.06120	0.9
177.06973	5.5
178.06425	1.2
178.07753	3.1
179.04863	1.5
179.07281	1.5
179.08591	8.2
180.08064	31.7
181.06404	2.0
181.08885	7.0
182.09627	12.7
183.06659	1.0
190.12701	0.9
193.08841	8.5
194.09644	45.6
195.08026	6.8
195.09668	2.0
196.07558	26.2
196.11205	12.4
197.07042	1.2
198.09149	15.7
200.10637	0.8
204.08109	4.4
205.06235	7.2
206.09641	10.8
207.06625	1.7
208.07474	1.6
209.08450	1.1
212.10667	2.0
214.08650	5.5
214.12152	0.9
221.08432	1.1
221.10675	2.3
222.09122	40.4
223.08804	2.9
224.07086	2.1
224.10672	8.9
225.07877	1.3
226.08400	1.1
232.07507	2.4
233.05977	2.6
240.10136	10.9
240.12457	1.1
247.08701	0.8
249.10104	5.1
249.79486	0.9
250.08615	10.7
267.11285	6.7
268.09601	4.1
285.09521	0.8
285.12216	4.4
303.13361	100.0
304.13620	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	303.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41919	0.7
55.05499	2.1
56.18600	0.8
57.07055	0.7
65.03929	4.3
67.05497	3.5
69.03410	1.1
69.07059	3.8
69.16447	5.0
79.05482	3.0
79.77553	0.7
81.07059	6.5
83.04968	1.2
83.08586	1.2
85.06513	1.1
86.09719	0.9
91.05459	2.7
92.05000	4.9
93.07036	4.9
94.06564	0.7
95.04944	2.1
95.08591	5.1
97.06516	1.7
97.10115	0.9
98.22694	1.8
105.07018	5.4
107.08586	5.0
109.10140	4.1
111.11621	0.8
119.08583	5.3
120.04439	0.9
120.08104	6.1
121.06509	1.4
121.10134	2.6
123.06791	0.8
123.08060	1.8
123.11692	0.9
124.07517	0.9
129.06876	0.7
131.08540	1.7
133.10118	2.6
135.08020	1.4
135.11636	3.6
137.09610	1.8
138.05484	28.1
138.09120	11.3
143.08612	1.1
145.10066	2.6
147.11684	3.2
148.03911	1.0
149.09613	0.9
149.13252	1.5
150.09129	1.6
152.03363	1.2
157.10136	1.5
159.11716	2.8
161.13297	2.2
163.04945	1.3
163.07384	0.8
166.04984	44.9
167.05325	1.2
169.10104	1.3
173.13174	1.3
174.09012	0.8
175.11166	1.6
175.14796	1.1
184.11154	1.7
186.12872	0.9
188.10739	1.0
196.09837	1.8
199.14819	1.1
200.09302	0.9
201.10239	0.9
201.16451	0.9
211.07471	1.1
211.12305	2.0
212.10635	3.7
214.12360	3.8
228.08957	1.4
229.09750	1.6
229.13248	3.1
230.11798	2.3
232.13338	2.7
239.11732	2.7
239.88177	0.8
240.10118	2.3
241.13422	1.0
242.11737	2.7
243.11275	1.6
256.08502	1.8
257.09576	1.1
257.12808	18.8
257.15436	1.7
257.22366	1.0
260.12756	3.4
267.11191	1.7
267.20914	1.1
268.09875	1.0
272.11517	9.8
274.09384	10.4
275.10703	1.3
275.13879	7.4
285.12271	19.9
285.21933	1.7
286.10620	1.7
303.04929	3.3
303.13333	100.0
303.19250	2.4
303.22739	7.4
304.13754	5.1
309.62527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	20.0
67.10403	5.3
69.03420	14.3
70.06586	6.7
70.98086	9.4
71.04977	8.0
73.02891	7.3
74.85072	6.1
79.05501	7.6
79.65002	5.3
81.03374	6.0
81.04601	5.2
84.08145	6.8
85.02893	21.7
87.04479	5.6
87.48676	5.3
88.40573	5.6
95.48996	5.0
97.02884	20.6
98.97587	25.3
99.04507	6.8
110.97553	8.6
115.03919	9.1
116.98632	9.6
134.06004	7.3
135.04424	6.7
143.08125	11.9
158.99693	11.4
167.02782	8.4
167.08617	6.6
175.73326	6.0
176.03299	15.9
182.03351	11.7
189.00774	7.8
191.03891	6.5
219.01669	9.6
237.02733	10.6
239.05072	11.4
248.05507	10.8
260.06866	8.0
304.05612	50.3
304.11639	100.0
305.12085	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	304.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41518	5.0
51.98520	5.5
54.06244	5.5
56.96554	35.6
65.61197	4.9
69.15073	37.3
70.65137	5.6
71.45461	5.9
83.97622	6.3
86.09661	6.3
99.04444	8.3
100.34277	6.0
113.17014	6.1
114.44463	4.9
114.97522	5.5
131.11626	5.1
142.00571	5.3
157.06474	8.7
164.83821	6.1
195.09975	17.1
197.07851	8.7
219.38068	6.4
223.09489	8.3
240.03464	7.2
262.06000	6.8
286.03812	24.1
303.13217	6.2
304.05194	100.0
304.14206	34.4
304.19928	6.2
322.05994	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	47.6
59.29278	6.3
69.33819	5.2
72.08129	6.5
74.06071	7.9
83.64704	5.8
83.97630	6.7
84.69116	6.0
85.55113	6.1
86.09706	9.8
92.84144	6.2
112.69923	5.8
157.65588	6.1
165.32378	5.9
173.09190	7.2
195.10031	11.3
197.07866	8.0
223.09482	10.6
258.04376	8.3
260.06042	8.7
261.04514	8.9
262.05939	16.7
264.82709	6.5
286.03818	22.0
303.13776	8.3
304.05258	100.0
304.13797	20.6
322.06036	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	304.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48236	0.3
55.05492	0.6
56.05013	0.5
57.07057	0.6
58.06577	0.3
65.03919	0.9
65.89249	0.3
67.05485	1.3
69.07060	3.3
74.06064	0.9
79.05479	1.7
81.07038	1.4
83.08616	0.5
88.07613	1.8
91.05484	1.5
92.04979	0.9
93.03386	2.2
93.07013	1.7
95.04921	0.6
95.08590	0.8
96.45113	0.3
97.06506	1.2
104.99233	0.4
105.04490	0.3
107.04934	0.9
107.08585	1.6
108.04287	0.3
109.05251	1.0
109.10114	0.6
110.03632	5.5
111.04434	3.5
111.07973	0.3
113.05985	0.5
115.71326	0.3
120.04451	0.9
121.70156	0.3
122.08080	0.5
124.07591	2.4
125.05967	10.2
125.09635	0.4
133.10127	0.5
135.11673	1.7
137.04701	6.3
137.05933	3.2
145.06389	0.3
152.07034	100.0
153.05457	0.6
153.07352	1.3
177.09036	0.7
214.14662	0.3
256.26282	1.2
303.30640	0.5
304.18991	2.9
304.28308	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	304.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.5
56.05026	11.2
57.07065	8.6
58.06588	6.4
60.04523	2.7
68.05011	1.0
69.07052	0.8
71.08617	4.6
74.06066	10.9
85.10173	1.9
86.06055	1.5
88.07614	41.8
89.07944	0.5
89.09808	0.4
91.05437	0.4
95.08576	0.5
97.10143	0.4
98.22711	1.0
104.07077	1.1
105.07013	0.4
106.08646	0.4
116.08668	0.4
118.07833	0.4
118.08635	7.0
122.08118	7.0
122.08986	0.4
156.47049	0.4
214.03146	0.4
242.24768	0.5
256.26309	38.1
257.26721	1.6
286.27319	1.8
304.28391	100.0
305.28720	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	304.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10104	1.4
52.70193	1.2
54.92293	1.3
55.05499	1.3
55.76587	1.2
56.04773	2.3
56.05028	32.1
56.79354	1.2
57.07070	31.1
58.06597	18.9
59.44816	1.2
60.04509	5.3
60.56635	1.2
68.05028	2.0
70.25503	1.3
71.08625	17.8
71.41914	1.7
74.06068	27.3
85.10165	8.5
86.06064	4.1
88.07634	2.2
118.08629	10.2
121.03842	1.4
122.08123	52.1
137.05957	5.9
142.06709	1.5
145.34361	1.5
164.55849	1.3
173.69731	1.7
256.26367	2.6
304.28427	100.0
305.17575	1.9
305.28766	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	305.0652
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
53.03937	1.5
55.01862	3.4
65.03931	6.0
67.01849	2.3
67.05492	2.6
68.99784	16.5
69.03421	2.6
69.61577	5.2
70.34047	1.2
77.03917	2.4
77.60285	1.2
79.05510	1.4
81.03414	8.8
83.04967	1.7
91.05467	5.3
93.03392	3.0
95.04947	4.4
97.02875	2.3
103.05440	1.9
105.03405	2.1
105.07001	1.6
107.04969	1.7
109.02867	10.3
110.03655	2.2
111.00792	3.6
111.04417	12.8
114.07391	1.1
115.05476	3.3
119.04934	5.5
121.02866	16.8
123.04417	40.5
127.03896	5.4
129.03340	1.5
129.06966	2.9
131.04906	1.6
133.02841	3.8
133.06464	1.7
135.04431	2.5
137.02361	9.3
139.03879	30.6
141.06961	1.7
143.04839	1.3
144.04778	1.8
145.06493	1.9
147.04375	15.5
149.02318	63.3
150.03108	38.6
151.03935	9.7
153.01805	100.0
154.02184	1.7
155.03394	1.4
155.05983	1.3
157.06480	6.6
159.04320	1.7
160.05193	1.9
161.02330	4.1
161.05949	3.8
163.03880	8.7
165.01848	7.6
167.03392	25.7
171.04388	3.3
173.05936	1.8
175.03876	18.4
175.07520	5.1
178.02534	1.3
179.03366	25.8
185.05939	12.0
189.05467	7.0
195.01178	2.5
195.02873	27.2
199.03903	6.0
201.05435	4.3
203.03372	13.4
203.06964	8.0
213.05392	18.2
216.04131	2.3
217.04913	9.9
221.04576	1.5
230.05591	1.5
231.04167	2.7
231.06493	51.1
237.44269	1.4
241.04927	11.8
241.65953	1.3
245.04446	15.2
258.05109	2.1
259.05994	52.4
260.06308	2.2
269.04486	3.6
287.05453	40.6
288.05881	2.7
305.06509	4.9
310.53470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.7
56.05011	4.1
56.96556	66.2
57.03420	8.1
60.05634	7.2
69.03423	27.1
70.06542	6.2
70.98142	4.7
71.04973	8.3
72.05630	95.2
73.02924	5.4
74.06044	5.7
81.03411	12.6
84.08115	6.2
84.96015	15.7
85.02890	19.6
86.09711	11.6
95.04991	4.1
97.02873	31.2
98.96974	7.6
98.97575	100.0
99.04462	10.5
100.99132	7.2
109.02847	8.3
110.97558	22.7
115.03917	15.0
116.98618	50.2
119.00188	4.1
119.01818	7.7
127.03904	5.6
128.98605	25.6
131.00175	5.4
134.99635	17.3
140.48563	4.4
143.00134	11.6
145.04840	5.2
145.06473	5.6
146.99617	14.6
152.98628	9.2
153.03091	6.2
157.06444	16.2
157.07719	4.1
158.02310	7.1
158.06773	4.5
158.99623	21.4
159.03236	4.3
161.01195	12.1
162.40973	4.2
167.02853	20.7
170.99629	24.6
172.94318	8.8
173.01314	5.9
176.03368	26.4
177.00696	25.2
177.04385	4.6
179.05890	10.4
185.05968	10.3
189.00729	35.2
190.95384	9.0
203.03983	5.0
207.01756	13.8
213.00748	5.8
215.03886	5.9
216.06616	4.5
219.01700	39.0
221.06926	5.2
224.04419	18.2
230.04306	14.4
231.01808	7.2
232.96489	7.7
233.04948	8.6
237.02783	52.1
239.04904	71.6
239.55151	11.2
260.05374	5.8
287.11377	15.9
296.06506	26.0
305.06558	8.6
305.09451	24.6
305.12448	47.8
305.57297	4.8
315.03952	7.1
323.10043	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	3.0
58.47887	0.9
61.67053	0.8
62.44040	0.8
65.03903	1.5
68.02242	0.9
68.99783	1.2
69.03412	1.3
70.83508	1.1
80.83041	0.9
81.03400	1.5
82.99826	1.6
84.08095	1.1
85.02866	1.2
95.04901	1.2
97.02846	4.1
98.97557	2.5
101.00856	20.9
102.00893	1.6
102.98595	1.0
109.02822	2.5
111.04419	1.6
113.00809	4.0
116.98544	1.3
119.01898	46.4
120.08018	1.3
121.02866	1.4
123.04371	3.7
126.97025	0.9
127.03864	2.7
131.01877	24.8
132.67854	0.9
137.03001	5.6
139.03850	3.7
143.00758	1.9
143.01869	35.4
145.03403	3.3
146.06030	0.9
147.04341	2.6
149.02249	3.4
149.03049	1.9
150.03093	4.5
151.03801	2.2
153.01788	6.6
155.01854	8.0
157.03404	3.9
158.05913	1.4
161.02928	100.0
162.03040	4.0
165.93207	1.0
167.01877	1.2
167.03334	1.6
173.01463	1.6
173.02924	24.6
174.03183	1.3
175.03781	1.9
179.03596	3.2
184.04428	1.3
185.02924	8.5
185.06212	0.9
187.04437	2.0
191.02348	1.4
191.03912	8.7
195.02765	1.1
197.02888	10.5
203.02150	1.1
203.03992	19.6
203.07297	1.2
204.03856	1.0
213.05397	1.3
215.04047	4.8
215.07532	4.2
221.04829	3.2
227.03929	2.0
231.06367	3.8
233.08691	5.2
245.04915	7.8
259.05841	3.5
263.05771	1.4
287.05276	3.4
305.10742	44.4
306.10641	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.138
Annotation	Avicenol A
Peak:m/z	Relative Intensity
55.01865	0.3
55.05497	0.4
57.61041	0.2
62.58203	0.1
63.26181	0.2
67.05491	0.3
68.99780	0.6
69.03433	0.3
69.07049	1.2
69.98837	0.3
69.99189	0.3
77.40369	0.2
79.05456	0.3
81.03434	0.2
81.07024	0.3
83.01346	1.3
91.05472	1.4
93.07034	1.3
95.04943	0.7
95.08588	0.6
98.23168	0.4
103.05447	0.7
105.04459	0.2
105.06979	0.5
106.04156	0.2
107.04919	0.3
109.06480	0.2
115.05416	0.2
119.04929	0.2
121.02847	0.2
121.06484	5.7
121.07316	0.3
122.06811	0.2
124.29463	0.2
129.06985	0.2
131.04918	3.0
134.03607	1.4
140.18037	0.2
143.04842	0.2
145.06470	0.2
147.04399	0.5
149.02299	0.5
149.05956	3.2
157.06390	0.2
159.04375	1.1
161.02304	0.4
161.05969	0.2
162.03096	11.0
163.03557	0.2
163.07552	0.4
171.04349	0.2
175.07472	0.2
177.05441	2.6
178.30779	0.2
185.05956	0.2
188.04611	0.2
189.05464	0.4
190.02579	18.2
191.02985	0.7
191.07050	0.3
193.04918	0.5
199.03873	1.1
203.03401	0.3
203.07051	0.6
205.04930	100.0
206.05287	4.1
213.05464	0.7
217.08461	0.2
219.06490	12.1
220.06866	0.6
231.06494	2.9
233.04459	0.3
233.08044	0.6
245.08052	1.6
246.07626	0.5
259.09619	0.2
287.12729	7.9
287.15942	0.4
288.13159	0.4
305.10516	0.3
305.13678	1.2
306.14413	0.2
328.53156	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	305.1492
Annotation	NSC 177499
Peak:m/z	Relative Intensity
53.03947	1.1
67.05492	1.0
69.13544	2.2
77.03940	0.4
79.05486	1.0
81.07042	1.3
91.05452	4.1
91.05890	0.4
93.05797	0.6
93.07044	2.9
94.06566	0.7
95.04967	2.0
95.08581	0.5
96.08111	1.1
97.06565	0.5
105.04507	1.0
108.08099	1.8
122.06013	3.6
124.06667	0.4
124.07578	8.8
124.08439	0.7
126.05516	1.2
131.08643	0.4
136.07559	100.0
137.07915	2.3
138.09111	0.3
140.07054	1.1
141.42944	0.4
150.05493	0.7
150.33847	0.4
152.07050	18.5
153.07373	0.5
164.07043	71.5
165.07365	2.2
166.08585	0.4
170.08105	4.8
182.08115	16.7
183.08321	0.5
230.03912	0.4
287.13879	4.2
299.80029	0.4
305.14795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03932	0.6
55.05507	0.3
62.97686	0.3
67.05490	1.6
67.22878	0.3
69.07071	0.5
69.11571	1.2
69.11986	0.8
70.06588	6.5
77.03921	1.1
79.05492	1.0
81.03429	0.3
81.07056	1.9
91.05473	3.0
93.05760	0.8
93.07040	3.3
94.06557	0.6
95.04947	2.2
95.08578	0.4
96.08117	1.0
105.04516	0.6
107.08574	0.4
108.04449	0.7
108.08114	2.2
109.06538	0.4
109.10126	0.5
112.08702	2.5
121.10096	0.4
122.06002	3.2
124.07580	9.6
126.05513	1.2
133.10143	0.3
136.07559	100.0
137.07924	2.8
137.09560	0.4
138.09145	0.5
140.07068	1.0
141.75893	0.3
145.10135	0.4
146.44666	0.3
149.06004	0.3
150.05493	0.7
152.07050	19.1
159.11679	0.4
164.07045	69.5
165.07361	2.1
170.08090	4.0
176.14331	0.7
182.08116	14.1
191.72537	0.3
287.13867	2.6
288.14221	0.3
305.15146	1.0
305.21146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1592
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03925	7.4
55.01857	9.3
55.05512	8.1
57.03406	12.4
61.02908	7.3
67.05488	16.1
68.59196	4.9
68.99781	8.3
69.03410	29.3
71.04980	45.6
73.02927	5.9
79.05458	15.0
81.03403	18.7
81.07043	16.2
83.04975	14.1
83.08617	10.3
85.02898	43.6
85.06528	14.5
91.05465	12.6
93.07032	12.1
95.04955	62.2
95.08602	6.0
96.88084	6.8
97.02885	18.3
97.10153	18.3
99.04453	5.8
99.08076	8.7
103.03938	13.4
105.06988	7.5
106.16128	5.1
107.04893	5.8
107.08576	59.8
108.08183	6.1
109.02892	19.5
109.06483	7.6
111.04382	9.9
119.04945	7.9
121.02853	8.9
121.06473	6.9
123.04408	91.2
123.08064	6.6
125.06001	5.5
125.09608	100.0
127.03896	55.1
127.07508	6.4
131.04959	7.3
133.02818	10.4
133.06554	6.1
135.04382	6.3
135.08018	6.0
136.06218	5.6
136.07585	19.2
137.05956	13.5
137.09589	8.6
139.03862	55.5
143.10660	94.9
145.05017	6.5
145.06430	5.6
147.04382	16.1
149.02336	29.1
149.06009	6.0
149.09644	7.3
150.03110	21.3
150.98755	5.8
151.03912	28.4
152.04218	9.8
153.01807	17.0
153.04373	9.0
155.07028	6.6
161.05914	10.0
161.09540	6.6
163.03885	23.3
164.07147	8.3
167.10664	55.9
171.04375	5.2
175.02406	11.6
175.03851	14.3
175.07487	8.5
179.03377	33.9
179.10617	7.0
179.59978	5.2
198.95950	5.1
203.03346	13.0
209.11728	7.5
213.05382	10.4
215.11946	5.5
217.04938	10.2
228.27869	5.3
229.08553	6.0
231.06529	23.9
241.04872	12.5
245.04456	17.4
251.12643	6.5
259.05988	19.8
269.12854	8.9
287.05426	22.0
287.14774	4.8
289.07068	11.3
305.06274	9.6
305.09341	6.0
305.14871	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	305.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.2
64.83401	0.2
68.05004	0.3
69.03436	0.2
70.06582	100.0
70.33598	0.2
71.06911	1.3
71.44295	0.2
72.08119	0.2
85.07635	0.3
89.03899	0.4
95.06094	0.2
96.18480	0.2
112.08713	35.0
113.09076	0.4
117.03367	1.8
127.75933	0.2
136.07561	0.3
139.48853	0.2
144.04416	0.3
145.02831	4.5
145.53979	0.2
147.88974	0.2
149.05969	0.5
177.05447	3.2
189.07269	0.2
194.08076	0.3
203.66954	0.2
223.67603	0.2
305.16040	7.9
306.16254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
56.45097	0.2
57.03432	0.2
67.05497	0.2
68.05022	0.4
69.03413	0.8
69.07060	0.2
69.30934	0.6
69.31324	0.3
70.06582	100.0
71.04973	0.3
71.06274	0.3
71.06919	0.9
71.47280	0.2
81.03394	0.4
81.07050	0.4
84.29920	0.2
85.02891	0.4
85.07689	0.4
89.03908	0.2
90.72718	0.2
91.05492	0.2
95.06039	0.3
97.02876	2.2
98.22643	0.3
99.04469	0.3
109.02833	0.3
112.08711	37.0
113.09080	0.3
117.03371	1.1
117.06939	0.2
117.12588	0.2
117.13365	0.2
118.06484	0.4
119.08569	0.2
127.03899	0.6
137.05954	0.3
137.63071	0.2
144.04427	2.5
145.02817	4.0
145.08607	0.3
149.05923	0.5
162.05478	0.4
177.05424	3.8
178.05731	0.2
194.08139	0.3
228.51076	0.2
280.70880	0.2
301.83450	0.2
305.16000	7.0
306.09454	0.2
306.16220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.8
55.40712	1.4
60.87295	1.5
63.14589	1.4
67.05524	1.8
70.06565	2.0
71.33942	1.5
79.05495	2.1
81.07044	4.8
88.07605	4.7
91.05496	2.1
93.07034	2.4
95.04956	2.4
95.08627	3.3
95.43687	1.4
105.06998	2.5
107.08559	2.7
121.06487	1.6
121.10116	2.0
122.89124	1.5
123.04403	1.4
125.09622	3.0
131.08459	1.4
132.10155	1.4
144.33357	1.8
146.31514	1.4
156.09377	1.8
158.05232	1.5
179.06818	1.5
181.19185	1.4
214.21562	3.2
219.09843	3.9
260.61981	1.6
287.16217	14.4
305.17184	100.0
305.20581	3.6
306.17517	3.9
306.26282	11.4
321.28531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93109	0.3
54.83923	0.3
55.05502	0.5
56.05009	0.6
57.03419	0.8
62.78101	0.3
64.65197	0.3
67.05480	1.1
69.03403	0.8
69.61269	0.8
69.61643	0.7
70.06583	4.9
79.05478	0.6
81.07030	1.0
84.04011	0.5
84.04492	7.8
85.02892	12.8
85.06561	0.3
86.06036	0.6
87.04429	0.5
87.63873	0.3
91.05489	1.5
93.05755	0.3
93.07027	1.5
95.01295	1.2
95.04944	1.2
95.08624	0.3
96.08086	0.4
97.06482	0.3
102.05525	6.0
105.06973	0.5
107.08600	0.5
108.08060	0.4
109.06452	0.3
109.10120	0.4
110.55439	0.3
112.03950	0.6
112.08726	1.8
113.02330	1.2
118.06520	7.6
119.08594	0.4
120.52290	0.3
121.06548	0.3
121.10052	0.4
122.06011	1.1
124.07589	2.6
127.27488	0.3
130.04984	39.9
131.05290	0.6
131.08563	0.4
132.04375	0.7
132.08044	2.4
133.08858	1.2
133.10135	0.4
134.09616	0.5
136.07556	29.0
137.07870	1.1
137.09599	0.4
140.07059	0.4
146.09666	2.0
147.10417	0.4
152.07047	6.4
164.07040	22.5
165.07336	0.5
165.09311	0.3
170.08080	1.3
176.14316	100.0
177.14690	3.0
182.08084	4.7
202.15874	0.9
215.08099	0.3
216.13760	0.6
263.22000	0.3
277.08142	1.0
287.13867	0.9
288.15909	5.8
305.15704	0.8
305.18549	21.2
306.18787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2108
Annotation	Agallochin I
Peak:m/z	Relative Intensity
52.38834	4.3
55.05500	25.3
58.06578	5.1
59.04998	50.3
67.05488	33.4
68.84106	4.8
69.07053	18.4
69.31052	22.3
77.83478	4.4
79.05060	5.5
79.05474	32.1
80.94880	5.1
81.07050	28.4
83.08602	6.6
85.06513	30.6
86.31085	5.2
87.43360	4.5
88.07114	4.8
91.05467	56.1
93.07030	37.2
95.04963	11.9
95.08613	24.6
97.06538	13.8
99.04473	6.1
105.07026	38.1
107.08578	25.7
109.06494	13.5
109.10142	10.0
117.07001	17.5
119.08557	32.0
121.10126	54.7
123.08038	26.5
124.23558	5.0
125.09586	18.8
129.06975	11.2
131.08549	16.2
133.06438	5.7
133.10101	13.7
135.08057	31.2
137.05956	7.3
142.07770	4.9
143.08542	8.1
145.10127	28.3
147.11679	6.1
149.09584	40.0
150.10361	55.9
151.11182	39.2
156.09293	11.9
157.10066	11.3
159.08023	4.8
159.11743	9.4
165.09134	14.2
167.10649	35.4
171.11623	15.6
173.13322	10.1
175.11166	6.8
177.12671	6.6
177.47275	4.5
181.10115	6.0
189.12724	6.8
195.11703	6.4
197.13245	10.0
199.11183	9.0
205.12230	34.0
207.11633	7.7
215.14252	7.5
237.16376	5.0
239.14281	6.1
255.17374	19.0
269.19073	11.3
287.20029	70.1
305.11673	5.2
305.21158	100.0
305.24722	15.8
305.30151	10.0
306.21451	6.9
306.27780	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	305.2472
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
50.37794	0.4
51.02367	0.6
53.03934	2.5
55.01856	2.1
55.05503	40.6
57.03418	1.1
57.07063	2.8
59.04990	0.6
65.03624	0.6
65.03935	4.8
66.04723	0.4
67.05493	100.0
68.05823	1.6
69.03421	0.8
69.07056	37.8
70.06565	0.5
70.07398	0.5
71.04986	3.0
71.08620	0.8
73.02898	3.8
73.06547	0.4
77.03920	1.4
79.05480	64.6
80.06226	0.5
81.03470	0.5
81.07043	70.9
82.07374	0.9
83.04962	2.5
83.08609	12.6
85.06522	2.7
87.04459	0.9
91.05466	28.9
92.05775	0.5
93.07029	63.7
94.07323	0.9
95.04951	10.1
95.08589	51.5
96.08900	0.7
97.06496	3.2
97.10139	4.6
99.04442	4.1
99.08064	1.2
101.06024	0.9
101.28777	0.5
105.04512	2.9
105.07014	12.0
107.08576	31.7
108.08907	0.8
109.06489	3.2
109.10136	17.0
111.04512	0.4
111.08052	1.2
113.05998	1.0
117.07008	1.9
119.06041	0.6
119.08562	7.5
121.06507	0.6
121.10125	21.8
122.10425	0.5
123.08038	1.8
123.11676	4.7
125.09621	1.5
129.06992	1.0
131.08551	3.6
133.10107	6.8
135.08049	1.3
135.11665	9.9
137.05917	2.0
137.09586	1.0
137.13185	0.5
141.09036	0.5
143.08487	1.1
145.10075	2.8
147.07986	0.4
147.11647	4.3
149.09596	0.9
149.13232	6.0
150.32295	0.4
151.11209	0.6
157.10127	1.2
159.11664	1.4
161.09482	0.8
161.13248	1.8
163.11205	0.6
163.14812	2.3
164.87502	0.4
171.11670	0.8
173.13248	1.0
175.14804	1.0
177.16299	0.6
187.14693	0.7
263.20071	0.5
287.23459	0.4
305.21481	1.7
305.24670	46.4
305.30643	1.7
306.25000	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	305.2473
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.05515	15.5
57.07067	5.6
67.05502	29.1
69.03419	1.6
69.07061	33.5
70.06606	1.8
71.04981	4.0
78.23758	1.8
79.05482	19.0
81.07048	100.0
83.08608	8.3
85.06520	2.5
91.05489	7.2
93.07023	25.8
95.04956	3.6
95.08597	71.9
97.06529	4.3
97.10166	7.7
102.05277	1.7
105.07014	17.0
107.08588	31.1
109.06483	3.1
109.10140	49.1
110.58647	1.8
111.04446	3.0
111.08039	2.8
111.11705	8.3
119.08569	12.4
121.06507	3.0
121.10129	27.1
123.08059	2.8
123.11703	21.2
125.06043	3.1
125.09611	2.6
129.07010	2.5
131.08536	2.8
133.10115	9.5
135.08029	2.0
135.11659	17.3
137.09610	3.2
137.13232	9.6
143.08463	3.2
145.10062	4.1
147.11676	10.4
149.09654	2.3
149.13255	14.1
150.50955	2.0
151.14828	2.9
157.10184	2.5
159.11696	7.3
161.09550	1.9
161.13217	5.5
163.11198	2.5
163.14783	6.4
165.08847	1.9
167.10657	2.9
171.11812	1.9
173.13159	2.1
175.11127	2.0
175.14798	5.8
177.12733	6.4
177.16418	2.5
179.17937	2.1
181.12164	2.9
189.16328	4.0
193.12172	2.3
195.13817	3.3
202.66490	1.8
203.18137	1.8
213.16409	5.0
217.19455	2.3
221.15152	2.9
259.24173	8.9
269.22641	6.1
277.25281	2.2
287.23685	14.3
305.24744	39.4
306.26190	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	306.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83080	0.4
51.08747	0.4
53.00295	0.5
58.06604	0.7
69.68890	1.5
71.01350	3.8
77.03922	0.6
86.06008	0.5
88.07616	3.2
90.03420	0.7
95.01314	1.0
95.04926	1.2
97.02886	0.4
98.22718	0.6
99.00803	25.7
108.04434	0.4
116.04956	3.8
120.04446	1.6
123.00786	2.9
128.04962	1.9
129.07008	0.5
130.02872	1.2
130.06558	0.8
132.10184	0.9
134.05949	0.8
135.04408	0.7
139.73701	0.4
140.04938	6.1
144.04427	7.5
144.08096	0.8
146.02345	19.9
146.06009	0.7
152.07048	0.7
157.05246	0.6
160.07507	0.5
161.04689	3.0
162.05482	13.6
168.04411	4.5
169.05164	0.9
170.05893	0.5
172.07529	1.0
176.07039	100.0
177.07384	3.2
178.04959	6.0
185.04680	12.3
186.05437	2.8
196.03896	3.4
198.05440	0.6
200.03360	1.7
200.07019	4.5
202.04929	0.9
213.04158	5.0
214.04961	3.4
214.21631	3.1
224.03394	1.5
228.06514	25.3
229.06924	1.0
232.06024	1.1
242.04434	26.5
243.04764	0.5
256.06015	28.5
257.06256	0.8
258.24280	1.1
260.08017	0.4
274.07047	14.6
288.08621	1.6
306.09680	8.9
306.13068	0.9
306.26370	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	306.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92411	0.5
55.01846	0.5
61.02933	0.5
63.75597	0.5
69.03423	4.0
69.42529	1.8
69.42941	1.1
84.04535	0.6
85.02895	0.8
91.05466	1.6
97.02892	3.0
98.22699	0.5
99.04331	0.6
105.03430	0.6
105.97179	0.5
107.52728	0.5
109.02845	0.8
116.04932	2.4
116.07048	0.6
117.07010	1.0
118.06509	0.6
119.04897	1.9
119.59760	0.5
123.33440	0.7
125.84546	0.6
127.03871	2.7
131.04932	0.6
142.50890	0.5
144.04428	100.0
145.04825	2.9
145.06433	0.8
147.04395	9.3
152.07057	1.0
155.04895	7.5
157.06441	0.7
161.10287	1.2
162.05516	1.2
163.03889	0.9
169.06415	0.8
170.17888	0.5
173.05981	4.9
175.03876	0.6
181.06451	1.8
183.04387	15.8
184.04706	0.7
184.66057	0.6
186.01837	0.5
197.05992	1.4
201.05460	4.7
215.07077	1.5
225.05449	5.8
227.06960	1.0
229.05008	0.7
230.08035	0.6
237.00641	0.6
243.06493	10.2
244.06801	0.6
253.04941	0.7
261.07623	0.8
270.13300	1.2
271.06076	4.0
289.07031	10.1
290.11462	0.9
306.09668	29.7
306.15213	1.2
307.07822	8.6
307.13513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09498	0.3
63.37679	0.3
69.07053	1.4
69.81287	1.0
76.64348	0.4
78.78300	0.3
79.05481	0.6
81.07051	0.8
91.05481	0.5
93.07025	0.6
94.04192	2.1
95.14577	0.3
97.06530	0.4
100.07631	0.4
105.19303	0.3
107.04913	0.6
107.08578	0.6
109.10130	0.5
114.09151	0.4
122.03635	5.6
126.09139	0.5
133.10138	0.6
135.11667	1.3
137.05959	100.0
138.06297	2.2
151.11238	0.4
153.12759	1.1
170.15401	2.8
182.15366	3.1
254.22740	0.3
262.52957	0.3
306.20654	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71353	1.1
53.03953	1.7
55.01867	2.5
56.96555	4.5
57.03428	4.5
61.02927	6.7
69.03420	22.4
69.82029	2.7
69.82417	3.0
70.03764	2.1
70.06592	3.0
71.04991	2.5
72.62437	1.6
73.02911	5.2
77.00912	1.7
81.03403	7.4
82.99849	2.3
84.08138	1.8
85.02895	31.5
86.03235	2.6
87.04469	3.6
89.00876	1.6
89.29115	1.4
90.96455	1.4
91.03955	1.8
95.34840	1.5
97.01376	1.8
97.02881	18.0
98.03220	1.9
98.23379	2.4
98.97587	5.6
99.04444	1.7
101.00871	33.7
102.96839	1.8
103.02430	2.5
109.02869	3.6
110.01192	1.4
110.97562	2.7
112.99144	1.8
113.00877	4.2
113.03439	2.0
115.02431	13.8
115.03928	10.0
116.98589	1.6
117.03983	1.5
119.01904	100.0
120.02026	4.3
121.01644	3.1
121.03490	1.9
122.03006	1.3
127.02403	1.6
127.03842	6.5
128.04265	1.6
129.04004	5.5
131.00195	2.0
131.01869	15.0
133.03455	17.9
133.04926	1.4
135.04996	1.6
137.02943	20.5
143.01906	13.2
144.99808	1.4
145.01648	3.6
145.03423	15.4
145.04973	3.3
146.99509	1.6
147.01436	2.0
147.05016	3.6
147.69061	1.5
149.01178	2.0
149.02962	5.3
155.01895	10.4
157.03482	14.3
158.01611	1.7
159.01460	2.6
159.05035	3.8
161.02924	25.4
162.03056	2.8
163.02652	4.1
163.04536	4.7
168.99820	13.2
169.01933	1.3
169.04436	4.0
171.04828	1.4
173.02904	15.1
174.03171	4.2
175.02965	2.5
175.04553	9.1
177.02432	10.8
177.06012	1.6
178.04935	10.2
185.02925	2.8
187.00850	23.1
187.04530	4.1
189.02449	2.8
189.05966	2.0
191.04024	4.5
196.99248	7.7
197.02898	3.0
199.00806	1.9
199.04506	2.2
201.02515	1.5
203.04021	4.2
205.01862	10.2
205.03549	1.5
205.05560	2.1
205.10512	1.3
215.00343	36.5
215.03951	4.5
216.00334	1.5
216.04155	3.0
217.01883	2.2
217.03786	2.1
219.03462	13.2
221.05019	12.1
226.06117	5.2
229.01863	14.9
229.05534	1.8
233.01440	2.8
245.05028	3.7
246.05289	1.7
247.02934	62.5
247.06688	14.7
248.03259	3.3
250.07140	1.8
265.04474	10.9
265.07596	23.9
272.07388	1.7
289.04016	5.3
307.05032	3.8
307.08420	22.4
317.07153	2.5
318.07367	3.9
319.07053	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.7
68.21119	0.5
68.98027	0.6
69.03410	0.7
69.55335	0.9
69.55745	1.7
78.95250	1.1
80.94960	0.8
81.04525	1.5
84.08131	1.0
85.02896	1.2
87.04456	0.6
92.68896	0.5
98.97575	2.3
98.98485	0.6
101.00320	0.5
101.00846	2.6
109.48625	0.5
111.05704	0.7
115.03913	1.2
116.98583	1.7
117.05486	0.7
119.01909	9.0
122.06253	1.2
122.07146	20.1
134.99702	1.0
137.02921	1.9
143.01868	1.0
144.04768	11.1
153.00749	0.7
158.99811	1.3
161.02934	1.2
162.99103	1.3
164.06757	0.9
164.08176	18.5
173.02826	0.7
176.97375	0.5
177.00925	13.1
178.00970	1.0
181.03319	0.8
183.01143	1.3
194.94698	0.6
201.00948	1.4
204.47873	0.6
206.44931	0.5
211.02756	0.9
217.01863	0.6
217.03946	2.8
218.98460	1.7
219.01991	19.4
220.02029	1.8
225.00987	2.1
243.01964	9.0
247.03072	0.6
255.01646	0.8
261.03040	100.0
262.03214	9.1
263.03391	0.7
264.99124	0.6
265.02609	0.8
283.00073	1.0
283.96545	1.0
284.04727	2.5
284.96274	0.5
288.89426	0.5
301.97803	1.0
302.97134	1.5
307.00580	1.2
307.08896	0.6
307.12421	1.0
308.16068	0.7
324.23013	0.6
325.01941	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44023	5.9
51.21716	6.3
55.70944	6.1
65.14861	7.8
65.74993	8.3
69.92422	13.1
69.92754	17.0
94.92984	15.6
109.49126	8.4
127.03956	7.4
128.32779	9.1
198.24269	7.2
202.89072	100.0
298.48999	7.4
307.07516	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51110	0.9
55.01876	1.1
65.03931	2.1
66.26234	0.9
67.05499	1.3
68.99791	3.9
70.50294	1.5
71.01336	2.8
79.49066	1.1
80.50618	1.0
81.03413	3.2
83.04990	1.6
85.02888	9.0
95.04973	1.3
97.02892	1.3
107.04947	4.1
109.02876	3.7
109.16850	0.9
111.04436	3.1
115.94325	1.1
117.03360	1.3
121.02818	1.4
123.04422	11.9
127.03898	60.8
128.04297	1.0
130.06461	0.9
131.04932	1.5
133.02838	2.0
135.04388	19.8
135.05334	1.3
139.03879	100.0
140.04253	2.2
141.07021	1.1
146.05952	1.5
149.02324	1.6
149.06065	1.1
151.03926	4.6
153.01910	1.7
153.05444	1.1
155.03365	56.8
156.03792	1.1
157.07639	1.0
159.04353	4.4
161.06026	1.0
163.03874	25.6
167.03375	1.8
169.04967	2.2
177.05414	3.9
181.04915	3.5
187.03900	3.4
195.06538	2.0
197.06039	1.3
201.05556	1.1
205.04959	2.4
215.06970	1.1
243.06456	2.6
246.68486	0.8
258.65027	1.0
271.06058	6.8
271.40829	0.9
289.07022	3.7
302.17807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0807
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
51.33833	1.2
57.83112	1.2
63.68937	1.0
68.99776	3.1
69.61002	1.0
69.65712	3.3
71.01354	3.4
81.03400	4.3
84.08112	1.4
85.02891	11.6
95.04974	1.6
98.23378	2.1
107.04935	3.2
109.02838	2.0
111.04443	1.7
113.02339	1.6
117.03414	1.3
121.02870	1.6
123.04393	11.0
127.03894	86.3
128.04227	2.0
131.04932	2.3
131.48099	1.1
135.04387	22.6
139.03874	100.0
140.04198	2.5
151.03903	5.8
153.01842	1.6
153.05327	1.4
155.03360	70.1
156.03740	1.7
159.04419	4.2
163.03868	28.8
167.03394	2.8
169.04973	1.9
169.06418	1.3
173.06007	1.6
177.05424	3.6
181.04836	6.1
187.03844	3.8
195.06468	2.3
201.05353	1.9
205.04990	2.5
223.05890	1.2
229.04915	1.1
243.06441	2.7
247.05673	1.2
271.05908	10.5
289.07053	6.2
322.70160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01861	3.7
57.07067	7.1
58.06596	2.1
67.05492	1.3
69.03416	7.7
69.07059	2.2
70.06583	22.6
71.06913	1.6
71.08621	3.4
71.20932	1.0
72.08138	1.1
79.05479	1.7
81.07042	3.0
84.08137	2.1
85.02911	1.5
86.09689	3.3
88.07623	11.3
89.03901	1.6
91.05492	2.5
93.07046	1.3
95.04900	1.2
95.08586	1.6
98.98462	1.0
102.09159	4.1
107.04944	14.7
107.08591	1.5
114.09168	1.1
115.05444	3.4
117.03367	3.0
117.07063	1.3
121.02870	3.0
123.11713	1.3
127.03890	3.5
128.06190	1.3
131.04904	2.4
132.10176	7.0
133.02803	1.3
135.04413	6.3
145.02832	4.4
145.06461	6.5
146.07269	4.5
146.11777	6.9
152.06210	2.1
155.04919	1.2
156.17407	2.5
158.07265	1.7
160.21265	1.1
163.03883	32.8
165.06924	7.9
167.08614	1.5
169.28409	1.2
171.04411	4.6
176.06171	1.0
177.06967	1.1
178.07753	11.6
179.08522	6.1
180.09317	1.8
181.06467	2.4
185.05974	4.6
186.06732	12.7
187.44771	0.9
189.06940	11.6
190.07721	15.8
191.08528	21.0
192.09264	3.4
193.06444	3.9
193.10178	1.9
194.07234	2.9
195.08049	4.1
200.20044	17.1
201.07030	2.6
201.20383	5.7
202.07729	8.7
203.08531	7.1
204.08975	1.1
205.06500	7.4
206.07269	9.4
207.07986	22.7
208.08777	13.6
209.09418	2.0
217.06508	2.4
218.07234	26.6
219.08017	55.5
220.08791	34.6
221.05965	9.9
221.09496	4.3
222.06725	1.4
223.11214	3.3
229.07486	1.1
231.07953	2.0
233.05943	2.0
233.09610	5.7
234.06755	8.2
235.07509	44.8
235.09903	2.2
236.08278	43.7
237.08849	1.9
244.22679	28.9
245.23041	13.4
246.06764	9.8
247.07500	24.6
248.00983	1.1
248.08302	7.0
249.05347	4.9
249.09074	6.7
250.06255	1.7
250.09818	3.4
251.10631	100.0
252.11003	3.9
261.09055	11.6
262.06247	5.4
262.09698	2.4
263.06995	29.8
264.07773	82.1
265.08307	6.9
274.06244	1.6
275.06927	6.1
276.07724	1.8
277.05371	1.6
277.08493	12.2
278.06259	2.3
278.09314	26.5
279.10080	33.3
280.10748	2.0
289.08426	2.0
291.06537	4.7
292.07202	10.3
293.08066	8.1
306.08908	5.7
306.26343	68.0
307.09616	95.6
307.26642	38.7
308.10065	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	307.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
69.03410	1.9
69.07040	1.2
75.79469	0.9
78.38459	1.0
81.03403	1.7
81.07059	1.1
84.08121	1.3
85.02882	2.0
91.05441	1.1
93.07027	1.4
97.02869	1.0
105.06984	1.5
107.08593	1.3
109.06474	1.4
117.05476	2.3
122.05978	1.1
127.03864	1.3
135.07965	1.9
145.04828	1.4
158.09598	1.2
163.03838	4.4
163.07492	1.2
168.06468	0.9
178.08578	2.9
200.17566	1.0
202.05992	33.9
203.06175	1.3
210.77034	1.3
219.11339	1.6
220.09592	1.1
229.09645	1.9
247.10764	2.1
265.11667	3.7
275.08884	64.5
276.09128	2.5
289.11642	3.4
307.11420	100.0
308.11838	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01875	1.8
55.05509	0.5
60.05630	0.5
63.05405	0.3
65.03915	0.4
67.05486	0.6
69.03414	1.0
69.07035	0.5
70.06576	0.6
70.61620	0.6
79.05485	1.0
81.03415	1.1
81.07047	0.6
83.04995	0.4
85.02899	1.1
86.85318	0.3
91.05463	1.6
93.07042	0.9
94.06564	0.8
95.04950	0.7
95.08589	0.6
98.06014	0.7
99.04481	0.5
102.05540	0.6
105.07001	0.8
107.08606	1.6
108.04462	1.1
109.02845	0.4
110.06007	0.5
112.08755	0.3
117.05441	0.4
118.06544	0.6
119.04951	1.7
119.06864	0.5
119.08584	0.6
121.10116	0.7
121.77490	0.3
122.06046	2.1
122.09653	0.5
123.04433	0.7
124.07578	1.1
127.03930	0.7
128.06203	0.4
130.06459	0.3
131.08528	0.5
132.08073	0.8
133.06493	0.4
133.10172	0.5
135.08066	2.4
136.07585	1.6
138.05424	0.7
140.07063	2.3
144.04457	4.3
144.07649	1.7
145.02902	0.4
145.04816	5.1
146.06026	0.8
146.09694	0.4
147.03291	0.7
147.04405	9.7
147.05562	0.5
147.11655	0.4
148.03865	0.4
148.07535	0.6
149.09659	0.5
150.09111	0.4
156.08058	1.0
157.06473	0.5
158.09663	0.4
160.07584	2.3
161.10323	1.4
162.05487	0.9
162.09175	0.5
163.03912	1.6
163.05815	1.1
163.08679	1.1
164.07158	0.6
166.05011	0.4
168.06569	1.6
170.05983	0.5
170.09669	0.8
170.96741	0.3
173.07104	0.8
173.10696	0.6
173.13310	0.6
174.09103	2.1
177.10223	1.5
178.08623	13.7
179.08934	0.4
182.08192	0.8
184.07553	1.4
186.09082	0.6
187.08698	1.5
188.07036	3.4
189.10249	0.5
191.08176	1.2
196.09723	0.9
198.09155	1.6
200.07002	0.4
201.06630	0.9
201.10274	3.3
202.08638	5.3
204.10205	0.8
205.09720	3.8
206.08150	2.6
207.11122	0.3
212.07115	0.9
213.59862	0.4
214.07303	0.4
215.08212	0.5
215.11893	0.4
216.06268	0.4
216.10239	3.0
219.07625	1.1
219.11221	5.0
220.09721	1.9
225.10199	0.6
226.08598	2.7
229.07564	0.6
229.09718	5.3
230.08128	2.7
243.11302	1.6
244.09660	4.0
247.10765	10.6
247.13318	0.5
248.09149	1.0
248.11391	0.4
254.08023	1.1
261.12314	0.9
262.10764	1.5
265.11816	13.9
271.10916	1.7
271.17108	0.4
272.09229	1.5
289.11813	13.3
290.11032	0.7
307.12851	100.0
308.09818	0.5
308.13162	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	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96750	0.3
54.80075	0.3
56.05032	0.4
56.81960	0.3
59.76011	0.3
60.05355	0.4
60.05643	5.1
61.72137	0.3
64.42702	0.3
65.03916	0.5
69.28848	1.3
72.04498	2.4
72.05611	0.5
73.04033	0.6
75.83286	0.3
84.04492	1.6
85.02875	0.5
86.36415	0.3
91.05467	8.3
98.07159	1.1
99.04417	0.4
101.07127	2.5
102.05526	10.7
116.08188	2.1
119.04926	24.8
120.05262	0.7
126.06625	0.4
130.06499	0.4
143.09265	2.7
144.07655	17.1
145.02834	0.3
146.05954	0.4
147.04384	100.0
148.04742	2.6
157.07585	0.6
158.06033	0.6
161.10320	21.0
162.08714	0.4
162.10635	0.4
163.03839	0.6
164.06972	0.4
177.05521	0.4
244.53938	0.3
248.09108	3.1
261.63608	0.3
290.11298	12.7
291.11487	0.6
307.13950	26.8
308.14188	1.0
312.48053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.9
57.03413	1.4
67.05501	4.5
69.03435	1.2
69.07048	3.2
70.06606	1.1
71.44298	1.0
79.05473	3.3
81.03410	1.2
81.07043	8.4
83.08598	1.7
85.32668	0.9
86.48232	0.9
88.07615	2.5
91.05465	5.0
93.07039	7.3
95.04945	2.5
95.08595	6.4
97.10154	2.0
98.98434	1.6
103.05468	1.3
105.07015	3.3
107.04955	1.3
107.08583	2.2
109.10141	4.2
115.58851	1.0
115.82820	1.0
119.08562	2.5
121.02839	1.7
121.06490	6.5
121.10136	2.9
121.47571	1.0
123.11655	2.1
125.09626	1.3
130.72311	0.9
131.08572	2.1
133.06491	1.3
135.07964	1.2
137.09613	1.5
139.03603	2.4
145.02821	2.5
145.10083	1.2
147.04465	1.4
149.09566	1.9
159.08037	0.9
163.03915	3.8
163.07468	1.7
177.05481	2.5
214.21750	1.1
215.22142	2.1
259.24774	0.9
261.03159	1.2
261.18353	1.3
289.17902	3.5
293.23154	1.0
306.26160	1.7
306.29242	1.5
307.15106	100.0
307.18472	5.7
307.26367	5.4
308.15411	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	307.1537
Annotation	trans-2-hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid
Peak:m/z	Relative Intensity
50.87205	1.8
51.92786	1.7
55.01857	2.5
56.96561	7.0
57.03431	2.4
58.06597	3.0
59.04981	1.7
65.03945	3.5
67.05493	7.8
69.03409	14.5
69.38563	5.9
69.38964	3.5
69.58967	1.9
70.06587	2.2
71.04973	8.5
73.71590	1.7
79.05484	5.1
81.03412	2.7
81.07044	18.9
83.62162	1.8
84.04476	13.1
84.08130	49.5
85.02913	5.3
85.06532	8.1
86.06066	3.9
86.09669	3.5
91.05462	5.9
93.07019	4.5
95.04977	3.6
97.02884	5.2
98.98421	2.1
103.05466	2.4
105.03404	3.2
105.07024	8.2
107.08573	9.6
109.02859	2.3
109.06506	6.6
109.10153	7.1
115.05453	4.4
116.65053	1.6
117.07018	1.9
118.06542	3.0
119.04884	5.0
119.08597	2.7
120.08121	1.9
121.06529	3.2
122.07138	2.1
122.73113	1.8
123.04419	8.6
123.11710	5.0
124.04710	4.0
127.03917	6.3
128.05080	1.5
128.05374	2.0
128.06190	12.3
129.06955	5.8
130.06490	10.1
130.07852	1.8
131.04930	5.5
131.08533	3.9
132.04395	2.0
132.08055	2.9
133.06496	4.4
133.10143	6.7
135.04393	4.4
137.09605	3.1
139.03905	7.0
141.06970	2.2
141.13858	3.4
142.06523	4.4
143.08516	19.4
145.06471	8.6
145.10124	3.8
146.06004	42.1
146.07135	3.6
147.04311	3.0
149.05956	2.6
151.11165	14.7
155.03384	3.2
155.08467	2.7
156.08102	2.4
157.06467	4.7
157.07550	4.0
158.06032	12.4
158.07181	3.0
159.08014	8.7
160.07558	8.0
160.08783	3.0
161.05986	12.5
161.09601	13.7
163.03885	10.1
164.08208	3.3
169.06467	2.2
169.13405	5.5
171.07970	11.8
173.05952	17.7
173.09615	14.0
174.06744	15.1
175.07439	2.2
177.05461	5.1
183.08002	3.8
184.05072	2.7
185.05865	4.1
187.07529	8.2
188.07082	15.8
189.05518	4.0
189.09079	100.0
190.09511	3.3
191.10503	4.5
199.07492	12.3
201.05435	3.0
201.09044	21.4
212.07111	5.8
215.13947	23.4
217.08572	38.3
225.12814	2.1
227.10674	3.9
228.11415	2.3
229.08490	2.4
235.10654	1.9
243.11346	2.6
243.13815	41.0
243.16988	20.3
244.14120	3.7
253.12175	2.4
257.80902	1.9
261.14822	19.1
271.06137	2.0
271.13220	52.4
280.72479	2.1
289.11737	6.6
297.46506	2.1
307.12662	4.1
307.16379	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	307.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14747	0.4
52.73387	0.3
53.03937	1.1
55.01859	0.6
55.05500	2.1
57.03436	0.6
57.07075	0.6
57.86649	0.4
67.05497	3.4
69.03426	2.2
69.07058	3.1
71.04984	0.8
77.03928	0.5
79.05485	3.3
81.03409	4.7
81.07050	9.4
83.04958	0.5
83.08611	1.3
85.06525	1.6
89.03917	0.4
91.05457	3.1
93.07026	5.5
94.06564	0.6
95.04949	1.2
95.07310	0.4
95.08597	6.8
96.08122	0.9
97.06492	1.0
97.10145	0.4
99.04412	0.4
102.05527	0.4
105.04480	0.6
105.07011	1.9
107.04925	0.7
107.08577	3.4
108.08104	0.8
109.02866	1.1
109.06504	1.0
109.10144	3.0
111.08053	0.9
111.11718	0.4
112.61666	0.4
117.03373	0.8
117.06881	0.4
118.06593	0.4
119.04914	0.6
119.08539	1.5
121.10130	2.5
121.91773	0.4
122.06013	1.4
123.06781	1.6
123.08089	0.6
123.11668	2.3
124.07571	8.3
125.09615	0.5
125.65379	0.4
126.05518	0.9
126.09136	4.8
127.03870	0.5
131.08562	1.1
133.10120	1.4
135.04375	1.4
135.08006	0.7
135.11668	1.8
136.07555	62.4
137.07866	1.6
137.13234	0.4
138.09120	55.0
139.09459	1.1
139.11115	0.7
140.07068	2.5
145.02800	1.2
145.10069	0.5
147.04387	2.6
147.11655	1.4
148.00806	0.4
149.13232	1.4
151.11147	0.7
152.07042	16.4
153.07396	0.5
159.11649	0.6
161.09406	0.5
161.13237	0.8
163.03877	5.8
163.07472	0.4
163.14793	0.9
164.07039	100.0
165.07423	2.5
165.12689	0.4
166.08618	0.4
169.10040	0.4
170.08121	4.2
173.07039	0.3
173.13249	0.7
175.14696	0.6
177.05470	0.8
182.08102	20.0
183.08440	0.8
187.14801	0.4
189.16254	0.6
191.08145	2.0
199.05931	0.4
201.16281	0.5
212.14023	0.4
215.17941	0.4
219.08368	0.4
229.06801	1.2
243.04739	0.6
243.17361	0.4
257.06400	0.6
261.09125	0.9
271.23926	0.4
282.03027	0.4
289.08920	0.5
289.15335	3.8
289.17972	0.6
289.25110	1.2
307.07974	1.4
307.09601	1.3
307.13168	1.0
307.16400	1.0
307.19421	0.5
307.26569	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	2.8
58.06588	5.4
61.19809	0.6
69.76585	0.7
69.76935	1.5
70.06585	0.8
71.03719	0.5
74.02439	0.5
75.02704	0.6
80.83328	0.4
84.04491	25.6
84.08129	100.0
85.02913	0.8
85.08463	1.5
86.06050	8.4
86.09685	6.9
88.03960	4.8
99.09198	0.5
123.04424	0.8
127.03891	3.6
130.08629	1.5
135.04416	1.3
139.03873	1.0
141.13824	8.8
144.10182	1.7
146.05962	3.2
155.03363	1.5
163.03886	1.6
169.13339	10.2
172.74007	0.6
187.07794	0.5
198.11197	1.3
215.13876	44.7
216.14281	1.3
229.49365	0.5
243.17003	43.4
244.17459	2.4
262.11053	2.8
271.06058	0.6
307.16803	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2051
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
55.01855	5.1
55.05496	6.1
57.03422	5.4
65.03934	2.5
67.05489	15.2
69.07058	9.5
69.10762	6.2
69.11192	5.4
71.04997	3.4
77.42958	1.8
77.98790	1.9
79.05487	16.8
81.03411	2.0
81.07042	19.4
83.04940	2.5
84.42812	1.8
85.22278	1.5
91.05463	19.7
93.07020	14.1
93.20866	2.1
95.04960	24.8
95.08587	9.2
97.06518	14.1
99.08153	1.6
103.75744	1.9
105.07000	35.8
107.04945	4.0
107.08584	11.0
109.06499	7.8
109.10159	2.8
115.05406	4.9
117.07006	11.0
119.08564	32.1
121.06512	3.5
121.10151	9.3
123.08076	2.7
128.06197	11.9
129.06975	13.0
130.07805	3.2
131.08577	14.2
133.06511	2.6
133.10104	52.8
133.24907	1.9
134.10466	2.2
135.08083	3.2
141.06973	7.1
142.07736	14.3
143.08534	35.4
144.09297	5.8
145.02820	4.3
145.10092	22.7
147.08067	5.5
147.11703	7.5
149.09624	3.6
152.06288	2.0
153.07005	4.6
154.07697	5.0
155.08539	8.2
156.09322	10.5
157.10081	21.4
158.10898	5.8
159.08052	2.3
159.11667	22.7
161.09625	10.1
163.03999	2.6
165.06990	5.8
167.08522	13.1
168.09297	3.2
169.10086	18.6
170.10867	3.4
171.11667	17.3
173.09607	2.7
173.13220	11.3
177.05421	4.6
178.07718	2.1
179.08513	9.8
180.09317	3.2
181.10069	15.4
182.10902	15.4
183.11627	13.2
184.12360	4.2
185.09637	4.6
185.13219	5.0
187.11177	6.9
191.08560	4.8
192.09325	6.6
193.10104	13.0
194.10855	10.6
195.11624	12.0
196.12453	4.7
197.13252	17.0
198.13965	3.4
199.14809	3.4
203.08514	4.2
204.09302	2.6
205.10069	5.0
206.10835	13.1
207.11655	17.8
208.12492	8.7
209.13173	15.4
210.13908	2.8
211.14827	10.1
215.08609	2.1
217.10114	6.0
218.10873	2.8
219.11699	7.5
220.12489	6.4
221.13182	22.2
222.13869	4.5
223.14789	12.5
224.15495	2.1
227.14359	2.1
229.10034	2.3
231.11703	3.4
232.12531	5.7
233.13292	14.9
234.14088	4.9
235.14792	7.2
237.12706	2.6
237.16263	9.5
244.12616	3.2
245.13245	6.8
246.14015	5.8
247.14745	12.3
248.15656	5.0
249.16443	7.0
250.16805	2.1
251.14360	8.2
251.17911	5.2
259.14752	11.1
260.15570	3.2
261.16272	3.1
263.17844	22.0
265.15927	2.5
265.19418	2.9
274.17123	6.6
275.20096	2.4
275.26828	1.8
279.20944	9.8
289.19614	19.5
292.18451	1.9
307.20572	100.0
308.20795	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	307.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65688	3.0
53.03935	3.1
55.01872	7.9
55.05510	12.9
57.03428	11.0
57.07049	3.6
57.24883	3.3
59.05009	3.5
60.36446	2.9
67.05499	34.8
69.03414	6.4
69.07064	13.9
70.05457	5.9
70.06589	4.1
79.05477	36.5
79.63986	3.1
81.07050	39.7
85.06554	3.6
91.05462	35.2
91.05914	3.6
93.07031	32.7
95.04955	31.5
95.08576	16.8
95.91112	3.3
97.06503	17.3
105.04526	4.0
105.07013	61.5
107.08570	17.9
108.91246	3.0
109.06496	7.3
109.10164	9.0
112.39414	3.4
115.05462	5.1
117.07003	18.3
119.08572	61.0
121.06502	7.4
121.10139	16.7
128.06181	19.3
129.06985	20.5
130.07767	9.7
131.08559	29.6
133.10104	68.6
135.11668	7.4
141.06992	13.6
142.07771	23.8
143.08548	47.7
144.09305	11.3
145.02850	5.0
145.10098	35.0
147.04428	3.3
147.08052	10.9
147.11639	10.4
149.09686	4.6
153.06992	8.4
154.07762	9.7
155.08546	14.6
156.09328	12.7
157.10106	34.0
158.10901	7.7
159.08020	6.9
159.11652	25.8
161.09625	8.4
163.14795	3.6
165.06978	7.4
166.07784	5.3
167.08577	24.0
168.09305	7.9
169.10074	38.0
170.10896	8.2
171.11659	21.4
173.13228	19.3
177.05437	8.4
179.08499	19.4
180.09317	9.5
181.10106	23.7
182.10866	19.1
183.11693	20.7
185.09537	4.2
185.13216	5.1
187.11179	7.4
191.08551	4.1
192.09319	8.3
193.10089	26.8
194.10851	18.0
195.11656	21.1
196.12378	7.7
197.13235	29.9
198.13821	3.6
199.14891	5.4
203.08598	3.6
204.09222	3.6
205.10132	6.1
206.10837	19.4
207.11600	27.6
208.12410	13.4
209.13219	17.4
210.14009	3.5
211.14784	17.1
213.12764	4.3
215.17947	4.6
217.10069	6.8
218.10822	8.3
219.11679	16.5
220.12384	10.2
221.09685	4.2
221.13194	30.8
222.14009	8.6
223.11249	3.5
223.14841	17.8
231.11682	10.6
232.12415	10.1
233.13152	16.7
234.14020	9.0
235.14830	11.3
236.11940	4.9
237.12512	5.6
237.16371	12.6
238.17093	3.9
244.12419	7.5
245.13237	7.0
246.14064	6.7
247.14806	14.2
248.15523	10.0
249.16383	9.8
251.14325	5.8
251.17757	5.4
259.14825	14.2
261.03110	6.4
263.18051	22.1
265.15961	4.1
274.17099	10.3
277.15814	3.6
279.21130	5.0
289.19461	19.9
307.20398	100.0
308.20737	5.4
308.23697	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2261
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.17921	3.2
53.03951	3.2
55.01858	13.1
55.05501	40.2
57.03423	17.9
57.84948	2.8
61.04877	3.4
64.93449	3.0
65.03918	7.0
67.05488	81.7
69.03432	5.3
69.07056	38.8
69.91345	3.6
69.91672	7.3
71.04966	4.1
71.75805	2.9
72.08148	3.7
76.37435	2.9
79.05473	55.1
81.03397	10.6
81.07043	95.5
83.04980	7.9
83.08606	19.9
85.06521	6.1
91.05457	46.7
93.07021	52.6
95.04404	5.0
95.04959	50.4
95.08585	56.3
97.06511	10.3
97.10162	6.6
98.06013	3.8
105.07008	59.7
107.04933	10.4
107.08575	38.5
109.06489	22.4
109.10133	30.0
111.08099	6.0
117.06972	16.6
119.08553	51.1
120.68157	3.4
121.06481	8.8
121.10125	28.5
123.08046	26.7
123.11687	12.7
131.08546	29.6
133.10123	33.6
135.08018	11.8
135.11676	13.6
137.09541	19.1
143.08499	5.3
145.02821	5.5
145.10091	20.9
147.11662	25.9
149.09589	14.5
149.13304	3.6
151.11157	9.8
155.00931	4.2
157.10083	8.6
159.11670	21.7
161.13164	8.1
163.11168	12.0
165.12755	11.9
169.10115	3.8
171.11676	7.4
173.13264	13.9
175.14963	5.3
177.05428	10.6
177.12749	5.2
183.11720	3.8
185.13123	7.8
201.12770	6.1
201.16498	4.0
219.17354	26.4
235.16876	9.3
239.17963	7.7
247.20607	7.2
257.18976	14.4
261.02997	9.8
275.19995	100.0
276.20230	4.6
276.58585	3.2
281.88605	3.2
289.21594	19.1
307.17398	7.1
307.18790	4.9
307.22623	59.4
307.28159	37.7
308.22910	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.1
55.01867	53.6
55.05251	5.2
55.05505	51.7
57.03428	23.9
57.07063	10.2
67.05495	66.2
67.64250	3.8
69.07066	30.5
71.08627	7.7
79.05480	53.4
81.03401	23.5
81.07045	100.0
83.04967	10.8
83.08624	17.5
85.06536	8.7
91.05466	42.2
93.07036	46.8
95.04952	35.0
95.08597	55.1
97.06525	9.1
97.10147	14.8
98.22674	5.9
99.04472	7.1
99.08105	8.7
100.83497	3.7
105.07006	35.6
107.04912	19.1
107.08577	30.6
109.06531	25.8
109.07176	4.5
109.10153	16.2
111.08084	8.8
117.06995	19.5
119.08564	30.2
121.06513	8.6
121.10129	21.5
123.04472	4.0
123.08069	24.9
123.11711	5.1
125.09614	60.8
127.44731	3.8
129.06966	5.4
131.08548	27.0
133.10136	24.5
135.08043	14.4
135.11687	15.4
137.09604	14.8
143.08551	6.3
145.02858	5.8
145.10118	8.4
147.11690	9.7
149.09612	19.6
151.11176	16.1
157.08417	3.7
157.10045	5.0
159.11670	16.3
163.11156	13.2
164.91995	6.7
165.12679	4.9
173.13293	7.1
175.14809	4.0
177.05450	14.4
177.12721	14.0
179.10635	4.8
179.14256	5.8
185.13240	5.5
191.10626	4.1
197.67114	4.5
201.16354	7.3
203.14305	8.3
215.33241	3.5
219.17407	91.0
239.17825	4.4
257.19064	18.2
275.19980	55.4
307.17847	4.3
307.22626	37.8
307.26331	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	307.2265
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
50.87025	0.7
52.89571	0.7
52.92402	0.7
53.03936	1.2
55.01873	8.1
55.05505	14.5
57.03421	0.9
57.07072	1.8
58.63986	0.8
65.03927	0.9
66.70781	0.7
67.05499	14.6
69.03416	2.5
69.07066	14.2
69.58677	0.7
69.59010	2.8
71.04984	3.7
71.08634	1.5
72.04510	3.9
79.05485	9.7
81.07053	20.7
83.04956	3.3
83.08618	4.0
85.06526	1.7
91.05471	6.1
91.59055	0.6
93.07037	13.3
94.93703	0.6
95.04956	9.8
95.08600	16.0
97.06522	9.2
97.10140	3.3
98.22706	1.1
99.08062	1.8
105.07014	8.1
107.04904	1.2
107.08580	7.0
109.06509	81.3
109.10145	4.4
110.06846	2.0
111.08083	1.3
117.06995	1.4
119.08562	7.2
121.06493	4.7
121.10137	5.4
123.08057	5.4
123.11683	1.8
125.09653	1.2
131.08560	3.8
133.06503	0.6
133.10112	4.4
135.08063	2.2
135.11670	2.5
137.08728	0.7
137.09575	3.8
139.11130	2.0
143.08498	1.0
145.10097	3.0
147.07924	0.8
147.11690	3.0
149.09616	3.2
149.13222	1.5
151.11180	1.9
157.10133	0.9
159.07976	0.8
159.11679	1.6
161.13266	1.4
163.11156	2.6
165.12747	6.6
171.11702	1.0
171.30743	0.7
173.13246	2.6
175.11269	0.9
175.14786	0.9
177.05516	1.1
177.12834	1.3
187.14685	0.9
191.14281	1.8
193.12259	0.7
197.13326	1.0
215.14299	0.8
233.15424	1.9
238.21663	2.6
247.20601	1.1
251.16397	23.8
261.22150	1.6
263.20023	1.9
265.17957	1.0
275.20053	1.1
289.21585	13.0
289.24713	0.9
290.21854	1.0
291.23175	5.1
307.22641	100.0
308.22894	3.8
308.25854	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85216	4.0
53.03942	19.0
53.51219	3.8
55.01867	48.9
55.05504	78.4
57.03436	7.7
57.07069	19.1
57.34170	4.6
59.05034	4.7
65.03932	5.9
67.05495	100.0
68.86564	4.4
69.03422	6.9
69.07054	40.0
69.68083	14.0
71.04996	8.7
71.08618	4.4
79.05485	68.1
81.03410	56.5
81.07043	82.9
81.59126	3.9
83.04965	24.5
83.08617	26.9
85.06548	15.0
91.05470	55.2
93.07030	50.6
95.04962	66.7
95.08594	81.0
97.06545	7.6
97.10164	23.5
102.30669	4.3
105.07014	56.6
107.04940	29.0
107.08593	46.2
109.06513	22.2
109.10134	30.7
111.08101	11.8
117.06994	19.6
119.08560	36.3
121.06535	8.5
121.10143	21.5
123.08060	48.8
123.11720	5.4
125.09622	56.5
131.08556	28.7
133.06511	10.0
133.10133	37.0
135.08070	17.1
135.11699	19.1
137.09608	49.8
141.07031	5.1
143.08603	7.6
145.10097	28.3
147.11668	16.4
149.09587	29.8
149.13269	8.5
151.11168	22.3
157.10074	5.0
159.08060	7.1
159.11703	18.2
161.09590	6.8
161.13228	10.2
163.11134	21.5
165.09048	21.3
165.12746	10.9
173.13287	7.6
177.05457	4.7
177.09058	6.6
177.12813	13.0
179.10612	10.2
183.11673	4.6
187.11143	8.6
197.13326	4.6
229.19514	9.2
246.97743	4.7
247.20607	13.1
257.18967	16.6
267.48196	4.5
275.20038	94.9
307.22635	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81738	0.4
53.03930	0.4
53.61930	0.5
56.14362	0.4
61.02895	0.8
66.49435	0.4
69.03411	1.6
69.85460	1.5
73.02908	0.5
77.03912	0.5
81.03405	2.0
85.02893	7.1
88.84677	0.4
91.05457	1.4
97.02874	7.5
103.03935	1.9
109.02866	2.4
115.03954	0.7
115.05435	4.7
116.04964	0.8
117.05729	2.5
118.06544	4.2
127.03896	1.5
128.04964	5.2
128.05887	0.7
129.06996	1.6
130.06512	10.9
131.07307	0.9
132.08073	8.8
140.04999	0.5
142.06505	7.9
145.05122	1.2
146.05986	100.0
147.06337	3.0
156.03767	0.5
156.08067	4.6
158.05997	17.4
159.06816	3.3
160.07556	22.7
161.07909	0.7
168.08022	0.6
170.05980	3.1
180.07977	0.6
184.07533	5.4
188.07037	47.2
189.07396	1.5
198.09126	0.5
212.07024	11.9
213.07401	0.6
224.07106	2.1
242.08044	2.0
254.08133	3.2
272.09113	1.2
274.04288	0.4
290.10321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37851	2.9
61.21007	2.5
69.64375	12.2
81.07018	7.8
91.05771	3.3
95.08593	4.2
98.22619	3.7
107.04924	3.1
111.08051	2.8
126.27164	2.6
135.60339	3.0
149.02347	10.7
153.05524	4.4
163.03944	5.9
177.01799	3.3
194.02185	5.7
209.04424	100.0
228.58542	3.1
263.33719	3.0
284.01529	3.5
302.02390	6.9
333.87067	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	308.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33577	0.4
55.05507	0.6
67.05482	1.1
68.05833	0.4
69.07053	0.8
69.36186	1.7
72.04517	0.6
79.05470	0.6
81.07030	0.9
91.05470	0.6
93.07004	0.5
95.08595	0.8
95.52367	0.4
98.21579	0.3
98.23473	0.7
107.08616	0.4
109.10143	0.3
112.50919	0.4
136.74818	0.3
178.17464	0.3
196.07480	0.4
198.05489	5.0
199.06178	0.7
208.07521	0.8
210.09114	0.4
212.06989	2.8
222.09161	0.5
223.06227	2.8
223.38747	0.3
224.07019	9.3
225.07635	0.6
236.07030	21.4
237.07713	3.5
238.08578	10.8
239.09332	3.1
240.10167	1.8
249.07875	1.2
250.08592	10.9
251.09183	1.4
252.10201	1.4
264.10159	10.9
265.10559	0.6
266.11710	2.1
276.20453	0.7
278.11777	4.6
279.12241	0.7
292.13507	0.7
308.16400	100.0
308.29349	2.3
309.16736	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	308.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01851	8.5
55.05501	73.6
56.05005	2.1
58.67390	2.6
59.04976	5.0
65.03921	4.3
67.05489	34.2
68.05037	3.1
68.05847	3.1
69.03413	7.3
69.07055	36.6
79.05481	100.0
79.81538	2.6
80.05015	7.5
80.05782	5.2
81.07046	42.3
82.06583	13.9
83.04986	5.5
83.08602	29.8
91.05457	44.0
91.49561	2.3
92.04998	14.7
93.05802	7.6
93.07033	57.5
94.06553	7.2
94.07345	3.2
95.04954	15.2
95.08587	12.7
97.06495	4.0
97.10157	47.5
105.04493	5.7
105.07002	18.0
106.06535	23.9
106.07259	4.1
107.07359	4.5
107.08569	25.2
108.08163	5.3
108.08924	6.9
109.06523	3.1
109.10159	7.5
112.07504	2.8
117.06995	9.7
118.06505	5.8
119.08576	5.2
120.08068	8.3
120.08906	2.9
121.10130	14.8
122.10404	2.7
123.11700	3.4
125.09609	33.2
131.08554	15.8
132.08058	5.8
132.08963	3.1
133.08812	3.7
134.09650	3.2
137.05956	15.4
143.10625	4.4
146.09625	3.7
148.11165	38.4
149.13208	3.2
176.14310	11.2
204.13760	9.6
222.14844	13.1
235.75029	2.5
272.19919	3.7
276.20358	15.9
290.21033	31.0
308.22314	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	308.2219
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.01836	0.3
55.05510	0.8
57.07044	0.5
65.28764	0.3
66.04807	0.4
66.95518	0.3
67.05495	1.1
69.07040	1.0
69.57700	1.4
71.04955	0.4
71.08620	1.1
72.00649	0.3
73.83872	0.3
79.05473	1.1
81.07039	2.8
83.06660	0.3
83.08624	0.4
91.05463	0.6
93.07032	0.8
94.04161	2.2
95.04953	0.6
95.08585	1.1
95.17574	0.3
105.06990	0.5
107.04951	0.4
107.08585	0.8
109.06569	0.8
119.08585	0.7
122.03634	6.8
123.04025	0.4
127.34666	0.4
137.05960	100.0
137.13177	0.4
138.06319	2.7
153.55515	0.3
165.12701	1.5
172.16949	1.3
184.16931	1.8
291.23083	4.3
308.22809	0.7
308.25851	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0866
Annotation	Methylisatoid
Peak:m/z	Relative Intensity
52.27028	0.2
53.03932	0.3
55.01862	0.3
55.05505	1.7
56.59866	0.2
56.96551	0.3
57.03415	0.3
57.07069	0.5
58.02460	0.2
58.06585	0.3
59.04998	0.3
67.05495	2.4
68.05782	0.3
69.03405	0.5
69.07055	2.9
69.26168	1.4
71.04974	0.6
74.09713	0.3
75.62212	0.3
79.05458	1.2
81.03397	0.6
81.07043	5.0
83.04956	0.5
83.08607	1.0
85.02885	1.0
85.06537	0.3
91.05480	1.2
93.07025	2.1
95.04955	0.9
95.08595	3.4
97.02867	0.4
97.06525	0.6
97.10166	0.4
98.97551	0.7
98.98439	0.4
105.06981	1.3
107.07935	0.3
107.08574	1.7
109.06458	0.3
109.10139	2.3
111.04328	0.3
111.08063	0.5
115.03909	0.3
116.98605	0.8
119.08556	0.8
121.10122	1.0
123.04414	0.3
123.08041	1.0
123.11690	0.8
125.09622	0.7
127.03856	0.3
129.06888	0.2
133.10094	0.4
134.99623	0.3
135.11662	0.8
137.09583	0.9
137.13194	0.5
145.10120	0.4
147.04379	1.1
147.11630	0.5
149.09563	0.4
149.13214	0.7
158.69453	0.3
161.13264	0.3
163.14764	0.3
165.09068	0.7
221.07047	4.2
222.05901	0.4
222.07880	2.6
234.06821	0.3
235.08501	0.3
237.10062	0.4
238.07346	0.4
242.33031	0.3
247.08725	0.3
249.06589	8.9
249.08852	0.4
250.07318	22.2
250.46803	0.2
251.07877	1.5
253.06085	0.9
254.06773	0.4
255.17340	0.3
264.08856	0.3
264.19138	0.3
265.09576	0.5
266.06818	3.8
267.07526	1.8
273.18161	0.4
276.02231	0.3
277.05969	1.1
277.08701	0.5
281.05499	2.4
281.09073	0.8
282.06213	0.4
285.13617	0.4
291.19455	0.8
294.06229	0.6
309.08615	100.0
309.27713	0.7
310.08932	4.9
327.14722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05500	8.3
57.03431	9.7
59.04980	1.4
61.02920	2.9
67.05506	8.2
69.03413	5.3
69.07056	6.3
69.24563	6.1
70.06556	1.0
71.04983	26.0
73.02901	5.9
75.04466	14.6
79.05492	6.1
80.14871	1.0
81.03407	2.5
81.07034	12.0
83.04982	5.4
83.08617	3.0
85.02892	100.0
85.06554	3.0
87.04467	3.5
91.05462	3.1
93.07025	5.6
95.04957	3.8
95.08590	11.2
97.02871	5.3
97.10159	2.5
99.04444	1.8
105.07002	3.0
107.08571	6.8
109.06512	1.8
109.10127	8.2
111.04445	3.5
111.08070	2.2
115.03931	1.3
117.07009	1.3
119.04939	2.9
119.08588	2.3
121.10137	3.9
123.04478	1.1
123.08055	1.9
123.11700	3.2
125.09634	1.2
127.03902	3.0
129.05453	21.7
129.06915	1.3
133.10136	1.9
135.08017	2.1
135.11684	2.0
137.05983	1.6
137.09586	3.6
137.13210	1.3
143.08606	1.2
145.10054	1.2
147.04402	6.2
147.06508	12.6
147.07703	1.9
147.11664	1.2
149.13252	3.8
161.09697	1.3
163.03883	1.7
165.09042	2.0
178.07803	1.2
179.10629	1.5
181.10321	1.1
189.06943	1.3
199.25015	1.1
221.06020	1.8
223.07373	1.2
234.06731	1.6
235.07466	1.6
249.05357	2.6
249.09109	3.1
266.46497	1.0
277.08542	5.0
281.11639	3.1
291.19431	2.0
291.39780	1.1
294.08765	1.4
309.08035	1.8
309.10760	7.1
309.16870	2.2
309.20026	7.4
309.27792	4.8
310.11823	1.4
311.82840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88884	0.8
52.91554	0.8
55.01846	1.2
55.05490	3.1
57.03418	6.0
58.50414	0.8
59.04988	1.5
61.02913	1.2
67.05476	2.9
69.03405	3.6
69.07043	1.8
71.01341	1.4
71.04987	14.0
73.02903	2.1
75.04469	6.2
76.41433	0.9
79.05487	2.3
80.09962	0.9
81.03391	2.0
81.07048	4.8
83.04973	4.6
85.02896	51.4
87.04461	2.0
91.05443	1.9
93.07057	2.0
95.04958	1.5
95.08582	2.2
97.02868	2.5
99.04458	1.2
107.08571	2.0
109.02859	2.0
109.06522	1.2
109.10114	1.7
111.04385	2.0
119.04918	1.5
119.08563	1.5
121.10109	1.4
123.04461	1.7
123.44725	1.1
127.03898	2.2
129.05467	10.8
129.06914	1.4
135.07947	1.1
140.39830	0.9
142.01248	0.9
145.04926	1.5
145.10022	1.1
147.04398	6.5
147.06509	4.9
149.09448	1.0
163.03850	1.2
171.06471	1.4
178.07738	1.5
178.52237	1.0
189.12709	1.1
190.07681	1.0
195.08072	1.0
206.07291	2.6
219.08023	1.2
221.07024	4.4
221.09435	1.8
222.07785	4.5
228.87082	1.0
234.06783	1.8
249.06519	11.7
249.09027	5.7
250.04935	1.5
250.07376	21.7
250.09921	1.8
251.07645	2.2
256.93384	1.2
266.06778	5.3
267.07538	1.4
277.05988	1.5
277.08594	7.1
277.11206	1.3
281.05432	2.5
281.11728	4.9
288.19046	1.3
309.08566	100.0
309.25937	1.4
310.08875	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88884	0.8
52.91554	0.8
55.01846	1.2
55.05490	3.1
57.03418	6.0
58.50414	0.8
59.04988	1.5
61.02913	1.2
67.05476	2.9
69.03405	3.6
69.07043	1.8
71.01341	1.4
71.04987	14.0
73.02903	2.1
75.04469	6.2
76.41433	0.9
79.05487	2.3
80.09962	0.9
81.03391	2.0
81.07048	4.8
83.04973	4.6
85.02896	51.4
87.04461	2.0
91.05443	1.9
93.07057	2.0
95.04958	1.5
95.08582	2.2
97.02868	2.5
99.04458	1.2
107.08571	2.0
109.02859	2.0
109.06522	1.2
109.10114	1.7
111.04385	2.0
119.04918	1.5
119.08563	1.5
121.10109	1.4
123.04461	1.7
123.44725	1.1
127.03898	2.2
129.05467	10.8
129.06914	1.4
135.07947	1.1
140.39830	0.9
142.01248	0.9
145.04926	1.5
145.10022	1.1
147.04398	6.5
147.06509	4.9
149.09448	1.0
163.03850	1.2
171.06471	1.4
178.07738	1.5
178.52237	1.0
189.12709	1.1
190.07681	1.0
195.08072	1.0
206.07291	2.6
219.08023	1.2
221.07024	4.4
221.09435	1.8
222.07785	4.5
228.87082	1.0
234.06783	1.8
249.06519	11.7
249.09027	5.7
250.04935	1.5
250.07376	21.7
250.09921	1.8
251.07645	2.2
256.93384	1.2
266.06778	5.3
267.07538	1.4
277.05988	1.5
277.08594	7.1
277.11206	1.3
281.05432	2.5
281.11728	4.9
288.19046	1.3
309.08566	100.0
309.25937	1.4
310.08875	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50444	1.6
55.01861	2.8
55.05503	4.9
57.03437	11.5
61.02917	2.5
64.02033	1.6
67.05500	3.8
67.48519	1.7
69.03432	6.5
69.14301	8.3
71.04987	28.9
73.02914	6.3
75.04475	9.8
79.05476	2.2
81.03430	6.4
81.07047	2.7
83.04976	5.4
85.02898	100.0
85.93791	1.7
87.04480	3.7
91.05460	2.5
95.04949	3.1
97.02882	6.9
99.04449	3.3
105.06992	2.8
109.02893	3.5
109.10190	2.9
111.04433	4.0
117.07002	3.5
127.03899	2.8
129.05472	19.2
129.06998	3.2
133.75362	1.4
135.08041	2.5
137.06029	2.2
137.09641	3.4
141.07008	3.2
145.04959	2.4
145.06477	2.9
147.06520	9.6
151.07571	4.6
157.06422	2.9
159.08072	2.9
159.11620	2.5
161.05795	1.9
163.07452	2.1
165.09157	4.0
169.06461	3.2
174.06786	2.3
174.32358	1.8
175.07541	6.1
177.09052	2.8
185.09619	2.0
187.07501	3.2
191.06911	5.1
191.08354	2.4
201.09114	4.0
203.07011	3.3
205.08475	2.1
217.08556	2.4
219.10170	2.0
241.08731	1.8
249.05569	2.6
250.88211	1.9
291.12283	4.5
309.13339	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	309.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01863	4.5
55.05501	12.4
55.86185	0.8
57.03426	3.6
58.06620	1.1
59.04990	1.0
67.05492	16.6
69.03416	3.3
69.07060	7.9
69.88641	1.1
69.88943	1.5
71.04967	1.9
72.08141	1.6
79.05475	17.2
81.03400	4.5
81.07042	24.0
83.04962	4.2
83.08607	7.2
85.02910	1.3
85.06535	1.5
91.05457	10.7
93.07023	17.3
95.04960	7.5
95.08585	14.7
95.38737	0.9
96.16179	0.8
96.46558	0.8
97.06522	3.5
97.10148	8.9
98.22809	1.1
98.98484	1.2
105.07000	9.4
107.04926	1.8
107.08573	8.1
109.02880	1.1
109.06516	3.2
109.10132	4.8
111.04433	1.4
111.08067	2.7
113.05990	2.1
117.06998	2.7
119.08562	5.5
121.06508	1.7
121.10133	7.2
123.08037	11.4
123.11768	1.7
125.09599	7.2
131.08522	3.3
133.10126	5.1
135.08029	2.5
135.11655	2.8
137.09567	2.2
143.08482	1.6
145.10152	3.0
147.07977	2.3
147.11656	2.0
149.09567	1.2
149.13133	1.1
151.11180	2.1
157.10156	1.9
159.11621	1.9
161.09572	1.7
163.11157	2.9
169.10078	1.0
171.11703	1.6
175.11099	1.2
177.12799	1.0
177.76898	1.1
187.13242	1.5
189.11229	4.5
189.16338	0.9
193.12195	1.3
199.14790	1.6
211.13246	1.3
217.15886	1.7
218.93086	0.9
227.17979	1.1
255.17479	1.2
269.08371	1.3
273.18457	6.7
286.10559	1.4
291.19455	14.5
292.19928	1.1
309.16696	100.0
309.20398	7.5
310.17111	3.3
320.08524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19787	2.2
55.01867	2.9
55.05494	6.9
57.03429	8.2
57.07038	3.9
59.04983	3.6
67.05497	14.9
69.07051	6.4
70.15768	5.0
70.16106	2.9
71.04978	2.6
75.37109	2.5
79.05470	13.0
81.03394	3.0
81.07049	28.1
83.04966	5.2
83.08589	4.8
85.06528	8.1
91.05452	10.4
93.07003	11.9
95.04938	4.2
95.08617	15.5
97.06502	5.8
98.98406	2.6
99.08079	8.6
105.07027	8.8
107.04935	2.4
107.08572	13.2
109.06499	7.2
109.10136	7.3
111.08085	20.4
117.07029	4.4
119.08578	7.2
121.06430	2.4
121.10137	6.4
123.11713	3.3
125.09607	5.1
129.06970	3.4
131.08556	6.5
133.10123	5.4
135.07965	3.8
136.09071	2.2
143.70074	2.0
145.10127	6.2
147.04373	10.4
155.00909	2.7
157.10167	4.3
191.08534	2.6
195.08076	2.5
204.08122	8.8
207.08078	16.1
212.93597	2.8
217.06522	2.7
217.15883	3.1
218.07219	4.8
219.07957	12.6
219.13768	2.6
220.07434	5.3
223.07622	2.6
232.07472	3.0
235.07521	19.7
247.07510	53.7
247.09947	17.9
249.09175	3.5
250.09831	6.1
251.07010	2.5
254.09299	2.7
262.09863	75.4
263.06955	20.9
263.09494	12.6
266.09268	2.5
267.10242	4.5
268.10864	5.5
273.18539	2.3
278.09308	31.1
278.11844	10.4
279.12424	7.5
281.11700	11.2
291.19400	8.5
293.11646	61.7
295.09244	11.9
295.12088	7.9
309.20316	90.4
309.27902	4.0
310.14468	100.0
310.20261	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	309.204
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01849	1.5
55.05503	14.5
56.78871	1.3
57.03422	2.7
57.07048	1.9
67.05495	12.0
69.03416	1.7
69.07066	10.2
70.01378	4.1
71.04961	3.4
79.05486	13.2
81.07040	15.5
83.04965	4.8
83.08636	8.2
85.02888	8.1
85.06515	3.5
87.04391	1.7
91.05450	9.9
93.07031	12.8
95.04983	2.2
95.08604	9.3
97.06484	2.2
99.08086	2.6
100.07598	3.3
100.11243	7.6
105.07009	4.7
107.04946	1.6
107.08553	6.3
107.72915	1.4
109.06547	1.8
109.10104	2.1
111.04422	3.5
117.07009	4.4
119.08537	9.6
121.10133	7.1
125.09559	2.5
128.07028	2.4
129.05496	2.1
129.07037	1.6
131.08546	5.4
133.10080	5.0
135.11670	4.6
137.09647	1.6
140.06979	1.6
143.08524	2.1
145.10118	2.4
147.11650	4.1
149.13277	2.0
157.10109	2.8
159.11624	2.1
163.11211	2.4
172.62698	1.5
174.97337	1.5
175.11195	1.6
182.15392	19.4
189.16371	1.5
192.13939	2.0
199.14728	3.8
207.20183	1.4
210.14865	23.4
217.15875	4.5
243.44751	1.4
263.02948	2.0
273.18646	2.1
277.21460	3.6
291.19312	3.0
309.20316	100.0
310.20657	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	309.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.5
55.05509	14.2
57.03422	8.1
57.07067	2.2
58.06586	2.0
67.05486	17.0
69.03429	5.1
69.07053	7.3
69.63060	7.0
71.04965	6.2
72.29944	2.2
73.87845	2.1
79.05472	15.8
81.07048	29.0
83.04965	7.0
83.08598	6.8
85.02902	13.6
85.06512	4.5
89.03896	2.2
91.05450	13.2
93.07041	13.1
95.04971	7.4
95.08603	11.0
97.06524	2.3
97.10149	5.0
99.08060	2.2
105.07024	7.8
107.04930	4.9
107.08582	12.1
109.06507	7.9
109.10155	5.6
117.03382	3.6
117.06970	3.7
119.08540	10.7
121.06477	2.9
121.10126	8.4
123.08056	3.8
125.09580	4.5
125.52460	2.2
129.07028	3.0
129.09132	1.7
131.08539	8.1
133.10118	3.6
135.04424	7.1
135.08009	3.3
135.11720	3.7
137.09671	2.2
143.08543	2.7
145.02843	7.0
145.10109	4.2
147.04457	5.1
147.06607	2.1
147.08017	4.6
147.11612	2.2
150.39409	2.0
156.66330	2.1
157.10117	4.1
163.03879	37.9
164.04126	2.1
167.80568	2.3
171.11674	3.7
182.15384	6.4
189.11261	2.8
199.12997	1.8
199.14781	3.0
210.14944	7.1
217.15904	3.6
235.16971	2.6
273.18405	7.7
277.21521	2.9
291.19424	12.5
309.16992	3.6
309.20340	100.0
309.23889	3.3
310.20718	3.4
330.89163	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01868	8.1
55.05502	12.1
56.96564	6.3
57.03433	37.4
58.94360	2.1
59.04989	3.0
59.96759	2.3
67.05497	37.5
69.03420	2.8
69.07056	12.1
69.39154	8.8
69.39547	4.6
71.04986	5.3
79.05479	26.6
81.07043	28.9
83.04968	3.8
83.08624	4.6
85.02890	5.8
85.06530	31.3
91.05460	27.9
93.07036	26.3
95.04963	42.7
95.08596	20.5
97.06511	2.6
99.08109	2.5
105.04471	2.3
105.07005	15.4
107.04964	4.9
107.08586	19.9
109.06506	45.0
109.10149	7.1
113.05193	4.8
113.05989	100.0
117.07021	7.3
119.08556	14.1
121.10133	11.7
123.08069	2.8
129.06982	3.9
131.08540	12.8
133.10100	9.0
135.08034	36.6
135.11681	5.3
138.85786	2.3
143.08559	4.6
145.10130	7.9
147.04378	11.9
147.08112	3.6
147.11682	4.0
157.10117	5.6
159.11623	3.7
161.09633	5.1
163.81242	2.1
165.07819	2.6
173.13313	2.5
189.16371	3.5
199.14844	6.9
217.15938	13.8
235.16914	4.3
245.10588	2.3
273.18503	15.8
291.19470	41.8
292.19913	3.0
309.20517	14.7
334.85120	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	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03930	5.4
55.01858	13.8
55.05253	6.1
55.05505	79.2
57.03426	9.0
57.07069	5.8
59.04978	4.7
67.05497	57.1
69.03421	8.7
69.07064	29.4
71.04978	8.6
74.32345	3.1
79.05484	60.9
80.82523	2.8
81.03413	18.7
81.06558	4.9
81.07047	100.0
83.04964	17.7
83.08610	44.1
85.02850	3.1
85.06550	3.1
87.04472	3.2
91.05459	23.9
93.07035	58.0
95.04958	41.0
95.08598	59.6
97.06506	10.7
97.10157	57.4
98.98387	3.5
105.07008	28.9
107.04929	6.6
107.08583	31.6
109.06507	8.9
109.10152	17.7
111.04422	15.7
111.08068	13.0
117.07008	9.1
119.08567	25.4
121.06480	7.6
121.10111	17.4
123.08054	80.9
123.11720	9.9
124.08438	2.9
125.05927	4.1
125.09615	42.9
131.08578	12.1
133.06465	3.7
133.10120	13.3
135.08038	10.1
135.11665	8.6
137.09608	12.5
139.11119	4.8
143.08527	7.2
145.10117	14.3
147.08038	8.5
147.11673	8.4
149.09605	5.6
149.13211	5.1
151.11108	3.6
153.09126	6.5
153.12743	7.3
157.10092	5.8
159.11604	4.8
161.09570	5.9
161.13174	3.5
163.11134	18.7
165.09093	13.4
169.12212	8.2
171.10272	3.8
173.13176	3.6
175.11185	4.8
177.07426	3.8
177.12628	2.9
181.12164	5.7
187.11194	3.5
187.13261	11.2
189.11192	38.8
191.10583	5.4
193.12219	10.9
207.13773	4.4
211.13232	5.3
223.13377	7.2
237.16388	4.0
255.17529	5.0
263.20081	4.3
268.08594	3.5
269.08295	9.4
273.18427	34.5
274.18701	4.9
291.19485	80.1
294.87057	2.9
309.08655	5.3
309.13586	4.2
309.16684	48.8
309.20560	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.28925	3.5
53.03931	3.6
55.01855	17.3
55.05504	34.5
57.03429	6.5
57.07051	8.9
59.04967	3.8
67.05496	91.6
69.03429	5.8
69.07064	29.2
71.04980	9.0
71.08612	11.1
79.05485	49.0
81.03408	11.2
81.07047	100.0
83.01344	3.1
83.04983	16.9
83.08610	12.1
85.06531	8.3
91.05469	60.4
93.07034	57.5
95.04941	18.6
95.08588	42.7
96.22277	3.2
97.06519	6.9
97.10143	9.2
99.08083	9.5
105.07018	58.2
107.04929	11.6
107.08587	55.2
109.06489	16.0
109.10145	71.1
111.04391	5.3
111.08069	10.7
113.06004	3.4
117.07014	8.7
119.08567	21.5
121.06493	10.2
121.10124	15.6
123.08064	12.1
123.11662	9.9
125.09619	7.3
127.07482	3.5
129.06963	3.7
131.08537	12.0
133.06485	6.1
133.10110	82.0
135.08064	6.2
135.11678	12.0
137.05957	3.9
137.09555	7.5
139.07513	3.9
143.08585	5.7
145.10104	10.3
147.08028	7.5
147.11659	7.6
149.09570	8.2
151.11159	59.0
153.09091	3.4
157.10098	5.6
159.11635	4.3
161.09612	8.3
161.13252	7.1
163.11198	6.7
167.26939	3.4
169.12187	7.2
171.11720	5.4
173.09663	3.8
175.11133	4.2
181.08525	2.9
193.72937	3.1
215.12637	3.7
217.12289	3.3
231.98207	2.8
263.20093	7.9
267.68124	3.0
273.18500	26.1
277.21576	15.4
284.16721	3.0
291.19455	45.9
309.20697	15.2
309.23755	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	4.9
55.01867	10.7
55.05504	49.2
57.03434	16.1
57.07066	8.0
58.50210	4.2
67.05500	84.6
69.03420	9.7
69.07059	30.3
69.50364	21.5
71.04990	11.3
71.08639	5.5
76.31053	4.5
79.05485	61.9
81.07050	100.0
82.46706	4.5
83.04975	18.8
83.08614	13.5
85.06546	10.0
91.05472	65.5
93.02319	4.8
93.07030	67.9
95.04963	19.4
95.08596	54.2
97.06513	9.2
97.10187	8.0
98.23477	8.1
101.35831	5.2
105.07019	58.0
106.94372	5.0
107.04956	10.7
107.08585	50.8
109.06519	29.4
109.10143	73.6
110.06859	9.9
110.10492	5.7
111.08075	11.1
113.05955	5.7
117.07010	7.7
119.08563	24.5
121.06508	15.0
121.10140	17.8
123.08060	10.5
123.11715	12.1
125.09592	6.8
129.06941	9.3
131.08554	12.4
133.06514	7.1
133.10104	75.5
135.08041	7.8
135.11688	11.8
137.05995	4.9
139.07492	6.4
143.08559	6.3
145.10136	10.4
147.08072	8.2
147.11713	11.5
149.09616	7.1
149.13312	5.3
151.11192	44.3
157.10060	5.0
159.11713	5.6
161.09586	13.6
165.12720	9.6
166.13071	21.0
167.13338	13.4
169.12215	12.0
175.11026	5.5
177.12674	5.1
179.10703	6.2
189.12794	6.0
201.68851	4.5
201.71062	4.7
221.18079	6.8
237.69572	4.5
245.19020	10.1
263.19995	23.9
273.18500	38.5
291.19443	73.8
291.22220	9.2
309.20535	17.6
309.23550	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.6
55.01863	5.7
55.05510	25.4
56.28753	3.6
57.03421	5.9
63.52293	3.9
67.05492	27.9
69.03407	10.5
69.07065	13.9
70.55201	5.5
70.55571	4.6
71.04986	10.9
79.05489	25.0
79.64884	3.7
81.03397	15.5
81.07045	44.6
83.04961	10.9
83.08611	4.0
85.02893	31.6
85.06567	20.0
91.05472	49.1
93.07021	26.8
95.04948	8.9
95.08588	25.4
95.23656	3.9
95.69178	4.3
97.02878	5.7
97.06516	7.8
98.22701	4.9
99.04438	5.6
105.03384	8.5
105.07013	45.2
107.04937	5.5
107.08595	23.9
109.02834	8.0
109.06445	5.4
109.10107	23.8
111.04419	10.0
111.08088	4.6
115.07566	4.9
117.03365	11.3
117.07021	19.5
119.04900	5.5
119.08554	36.6
121.06472	10.5
121.10134	12.8
123.08047	8.0
127.03909	7.1
128.06168	5.2
129.05434	10.7
129.06999	34.2
131.04956	7.3
131.08528	37.3
133.06453	8.7
133.10112	49.6
135.04387	12.7
135.08032	9.3
135.11670	5.1
137.09595	14.8
141.07004	6.6
142.07674	5.6
143.08542	27.4
145.02806	7.8
145.06461	6.8
145.10094	30.4
147.04395	25.0
147.08029	28.4
147.11644	11.4
148.08687	4.1
149.09598	37.1
155.08530	18.6
157.10118	33.5
159.08014	11.6
159.11641	13.1
161.08359	7.4
161.09593	80.3
161.10814	7.6
163.03893	42.3
163.11159	13.2
165.06964	4.7
165.09036	6.8
166.07684	6.3
167.08568	6.2
169.10175	24.4
171.11649	10.2
173.09621	11.1
173.13229	8.1
175.11160	27.0
177.12685	5.3
179.10600	23.6
181.10063	10.9
183.11699	10.8
185.13251	8.7
187.11159	11.2
187.14731	5.8
191.10657	8.0
193.12202	13.1
195.11707	9.4
199.14815	8.0
201.12747	8.1
201.16350	16.2
205.06657	4.4
205.12196	6.4
211.14789	8.2
217.15804	7.5
221.05936	9.1
225.16365	30.6
227.17897	6.1
229.15866	7.2
234.06729	6.4
237.16373	8.1
243.17409	46.9
247.16885	100.0
249.05469	17.7
249.09050	4.2
249.14893	4.9
250.05959	4.9
255.17429	9.0
261.18460	17.2
267.06439	6.9
273.18469	32.4
277.08606	13.4
291.19482	19.7
309.13800	9.3
309.17194	7.7
309.20584	8.3
310.10947	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	309.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.6
55.01863	5.7
55.05510	25.4
56.28753	3.6
57.03421	5.9
63.52293	3.9
67.05492	27.9
69.03407	10.5
69.07065	13.9
70.55201	5.5
70.55571	4.6
71.04986	10.9
79.05489	25.0
79.64884	3.7
81.03397	15.5
81.07045	44.6
83.04961	10.9
83.08611	4.0
85.02893	31.6
85.06567	20.0
91.05472	49.1
93.07021	26.8
95.04948	8.9
95.08588	25.4
95.23656	3.9
95.69178	4.3
97.02878	5.7
97.06516	7.8
98.22701	4.9
99.04438	5.6
105.03384	8.5
105.07013	45.2
107.04937	5.5
107.08595	23.9
109.02834	8.0
109.06445	5.4
109.10107	23.8
111.04419	10.0
111.08088	4.6
115.07566	4.9
117.03365	11.3
117.07021	19.5
119.04900	5.5
119.08554	36.6
121.06472	10.5
121.10134	12.8
123.08047	8.0
127.03909	7.1
128.06168	5.2
129.05434	10.7
129.06999	34.2
131.04956	7.3
131.08528	37.3
133.06453	8.7
133.10112	49.6
135.04387	12.7
135.08032	9.3
135.11670	5.1
137.09595	14.8
141.07004	6.6
142.07674	5.6
143.08542	27.4
145.02806	7.8
145.06461	6.8
145.10094	30.4
147.04395	25.0
147.08029	28.4
147.11644	11.4
148.08687	4.1
149.09598	37.1
155.08530	18.6
157.10118	33.5
159.08014	11.6
159.11641	13.1
161.08359	7.4
161.09593	80.3
161.10814	7.6
163.03893	42.3
163.11159	13.2
165.06964	4.7
165.09036	6.8
166.07684	6.3
167.08568	6.2
169.10175	24.4
171.11649	10.2
173.09621	11.1
173.13229	8.1
175.11160	27.0
177.12685	5.3
179.10600	23.6
181.10063	10.9
183.11699	10.8
185.13251	8.7
187.11159	11.2
187.14731	5.8
191.10657	8.0
193.12202	13.1
195.11707	9.4
199.14815	8.0
201.12747	8.1
201.16350	16.2
205.06657	4.4
205.12196	6.4
211.14789	8.2
217.15804	7.5
221.05936	9.1
225.16365	30.6
227.17897	6.1
229.15866	7.2
234.06729	6.4
237.16373	8.1
243.17409	46.9
247.16885	100.0
249.05469	17.7
249.09050	4.2
249.14893	4.9
250.05959	4.9
255.17429	9.0
261.18460	17.2
267.06439	6.9
273.18469	32.4
277.08606	13.4
291.19482	19.7
309.13800	9.3
309.17194	7.7
309.20584	8.3
310.10947	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	2.5
54.35986	1.6
55.01869	6.3
55.05502	7.9
56.96568	2.6
57.07058	3.9
66.78408	1.8
67.05506	14.1
67.52941	1.8
69.07063	10.3
69.11422	3.2
69.11826	8.5
71.08617	2.6
79.05496	15.2
81.03421	3.6
81.06573	2.2
81.07047	43.4
83.04958	2.6
83.08607	4.8
89.47976	1.7
91.05476	4.4
93.07043	9.8
95.04984	2.5
95.08588	10.0
97.06570	2.6
97.10161	3.0
99.08104	2.9
105.07020	5.3
107.08593	8.5
109.06530	13.4
109.10158	5.9
111.04438	12.4
111.08092	1.8
119.08570	5.9
121.06457	2.2
121.10178	4.8
123.08071	3.6
123.11772	2.0
125.05986	2.5
125.09614	3.4
131.08530	2.7
133.10124	4.1
134.66113	1.9
135.11687	6.4
137.05965	100.0
138.06325	2.4
139.90732	2.0
147.07993	2.1
147.11653	3.4
149.13260	2.2
157.10214	3.3
161.09602	6.4
165.09082	2.9
175.11171	4.0
175.14781	3.2
179.10811	2.1
189.16258	2.4
193.12187	2.4
203.17950	3.5
213.16336	2.3
231.17390	8.2
237.32793	2.4
249.18460	11.0
277.17917	40.4
277.21161	2.3
295.19061	8.2
309.17203	3.5
310.31082	3.0
327.18445	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	309.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98501	2.6
53.03941	16.3
55.01855	8.1
55.05505	26.2
57.07064	7.0
59.04990	4.3
67.05494	62.3
69.03417	4.4
69.07054	39.6
71.08630	3.4
71.22187	2.7
79.05476	35.7
79.97819	2.4
81.03403	67.6
81.07043	63.3
83.04976	17.2
83.08592	11.6
85.06523	4.3
91.05460	29.7
93.07034	37.9
95.04944	37.2
95.08605	28.5
97.06499	6.3
97.10163	13.4
98.22633	7.2
99.08093	5.5
105.07023	25.1
107.08582	33.0
109.06488	13.1
109.10121	15.9
111.08109	4.5
119.08560	11.1
121.10120	12.6
123.08023	2.6
123.11716	7.9
125.09608	16.4
131.08580	5.8
133.10062	15.1
135.08067	7.6
135.11668	11.1
137.13159	3.6
142.17848	3.4
143.08606	3.6
147.11646	12.5
149.09601	3.4
149.13214	7.3
151.11157	51.4
153.09109	6.9
159.11568	3.8
161.13220	11.8
163.14807	5.6
165.09099	2.6
165.12703	10.7
171.10161	3.3
171.11636	7.3
175.11183	6.1
175.14761	6.2
177.12727	5.6
177.42119	2.6
179.14290	7.3
181.32343	2.5
201.18710	2.7
203.12756	6.7
207.13809	5.0
230.85722	3.1
231.21013	13.6
241.19470	7.5
249.22208	4.3
259.20529	7.9
277.18536	5.1
277.21585	100.0
278.21939	5.0
309.24350	3.1
309.32556	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05506	16.9
57.03414	4.0
57.29068	2.0
67.05496	36.5
69.07054	16.7
69.31469	8.9
71.04987	2.5
71.08620	48.4
79.05478	38.0
81.03409	6.1
81.07048	43.9
83.04950	8.7
83.08620	7.9
85.06519	3.1
88.16074	2.2
91.05471	25.5
93.07036	50.6
95.04949	7.5
95.08598	27.8
97.06510	9.7
97.10149	2.7
99.08084	37.5
105.04569	2.7
105.07015	20.0
107.04939	3.8
107.08578	26.9
109.10110	11.3
117.07053	3.7
119.08587	11.6
121.10134	28.2
123.08036	2.3
123.11727	3.1
126.52757	1.9
131.08516	3.4
133.10112	11.7
135.11665	33.1
136.47154	2.1
137.09589	7.7
139.11156	2.7
141.09105	2.8
143.08539	3.2
145.10118	6.9
147.11665	5.7
149.13243	12.4
151.11145	18.5
153.12642	2.6
161.13246	6.2
163.11172	9.6
163.14748	2.6
175.14841	2.2
177.12703	3.7
179.14291	100.0
189.12735	2.8
190.74969	2.1
195.57150	2.4
199.14920	2.2
200.22475	2.1
201.01698	2.1
221.15427	4.8
231.20833	2.7
235.16939	6.2
241.19600	2.9
259.20551	7.2
277.21585	53.7
278.21951	3.8
309.24146	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	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	10.3
55.05501	46.0
57.07071	11.7
57.29243	4.7
59.04979	5.8
67.05151	8.7
67.05497	85.6
69.07058	48.1
71.08625	100.0
71.18553	6.1
79.05479	72.8
81.03403	14.0
81.07047	75.4
83.04968	14.8
83.08610	33.4
85.06515	10.9
85.10175	12.2
91.05459	59.1
93.07029	66.2
95.04964	17.5
95.08603	53.9
97.06530	13.8
97.10162	23.6
99.08083	78.8
105.06998	43.8
107.04929	6.7
107.08572	39.8
109.06507	5.7
109.10143	24.7
111.08080	15.5
113.09592	6.4
117.07011	20.4
119.08572	33.2
121.06503	7.4
121.10126	31.6
123.08044	8.0
123.11665	9.3
125.09634	14.0
127.11143	6.0
129.07042	7.1
131.08527	9.6
133.10126	23.6
135.08017	7.9
135.11667	27.0
137.09567	9.5
137.13274	5.2
139.07492	14.7
141.12686	6.0
143.08572	9.7
145.10115	31.0
147.08060	8.2
147.11707	11.6
149.09567	7.2
149.13266	16.6
151.11145	41.9
157.10109	5.5
159.11655	10.2
161.05960	5.8
161.13264	29.8
163.11176	20.9
163.14832	12.1
165.12724	9.7
171.11678	12.7
172.91704	5.1
175.11133	7.0
175.14821	14.4
179.14334	20.1
185.13216	9.1
193.15874	12.1
215.08548	8.1
217.19540	8.3
231.21017	11.2
241.19566	13.4
259.20535	28.5
273.12497	8.2
277.21588	80.4
285.25140	5.4
291.23077	9.3
308.85464	5.4
309.14850	10.2
309.24203	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03932	3.0
55.01870	11.1
55.05505	42.1
57.03439	4.5
57.07067	10.1
59.04977	3.2
65.03920	3.1
67.05497	71.3
69.03420	6.0
69.07060	35.8
69.21403	10.3
71.04985	4.1
71.08613	12.6
75.64664	1.7
79.05481	45.2
81.03400	7.4
81.07047	66.0
83.04969	15.5
83.08611	17.4
83.27206	2.0
85.06527	7.9
85.10171	3.7
91.05479	32.9
93.07039	53.3
95.04961	33.2
95.08598	46.7
97.06507	12.4
97.10165	18.2
99.08073	7.8
105.04515	2.5
105.07024	25.0
107.04961	2.2
107.08569	31.8
109.06522	8.8
109.10149	26.4
111.08082	6.4
111.11768	4.0
117.07008	7.0
119.08571	17.8
121.10131	23.0
123.08050	8.1
123.11699	8.9
125.09610	14.2
129.07010	6.2
131.08565	8.9
133.10114	20.9
135.08003	5.4
135.11703	13.7
137.09595	4.5
139.11154	19.0
143.08516	2.4
145.10135	6.3
147.08015	2.5
147.11687	17.0
149.09592	3.0
149.13229	10.2
151.11169	10.2
153.09122	3.0
153.12686	3.7
157.10081	4.5
159.11696	4.3
161.09532	3.5
161.13245	8.4
163.11208	3.5
163.14745	3.3
165.12762	10.3
171.11707	5.5
173.13225	3.5
175.11214	5.2
175.14865	6.3
179.14273	3.4
185.13312	3.7
191.18056	3.7
193.12239	2.7
193.15825	2.8
203.12833	3.9
207.13716	2.5
221.15410	5.9
231.21114	4.1
235.16771	2.8
241.19521	4.2
249.22107	4.0
259.20551	10.5
276.65198	2.8
277.21591	100.0
278.22028	4.9
291.23056	4.7
309.24252	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01861	11.7
55.05505	42.0
57.03422	6.1
57.07068	11.9
59.04985	3.4
67.05495	77.0
69.03428	5.3
69.07059	42.1
71.04990	6.1
71.08617	12.1
73.06550	2.5
76.93481	2.6
79.05486	49.9
80.55650	2.5
81.03407	7.8
81.07047	75.7
83.04971	19.2
83.08620	20.2
85.06527	7.3
85.10210	3.4
87.85723	2.7
91.05464	39.1
93.07037	63.1
95.04950	33.9
95.08591	48.2
97.06516	13.6
97.10139	17.9
99.08078	9.9
105.07007	29.3
107.04987	2.6
107.08576	38.2
109.05826	2.5
109.06509	10.1
109.10136	28.0
111.08082	6.1
113.09650	3.3
117.06978	5.9
119.08569	24.4
121.06496	4.3
121.10130	21.5
123.08047	5.4
123.11682	8.9
125.09611	8.8
129.06979	6.1
131.08534	9.6
133.10103	22.5
135.08058	5.6
135.11670	14.4
137.09616	6.2
139.11143	19.0
143.08551	4.5
145.10120	7.8
147.11655	17.5
149.13239	10.7
151.11206	10.9
153.12726	6.1
157.10092	4.7
159.11630	4.2
161.09724	2.5
161.13235	9.3
163.11186	3.8
163.14758	3.6
165.12732	10.3
165.52596	2.6
171.11685	6.0
173.13290	5.6
175.11163	3.5
175.14774	7.2
177.12712	3.9
179.14281	7.3
185.13283	4.6
189.16396	2.8
193.15733	2.6
203.12813	4.7
203.77370	2.9
221.15350	4.5
231.21097	4.0
241.19551	5.8
249.22166	4.1
259.20697	12.3
265.45328	2.4
277.21588	100.0
278.21985	5.7
282.80481	2.6
291.23187	4.1
309.24292	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.31760	2.7
53.03959	3.4
54.20329	2.8
55.01870	68.2
55.05510	53.7
57.03444	5.4
57.07076	7.4
67.05499	77.4
69.03388	3.0
69.07072	24.1
70.27111	4.5
70.27435	3.5
71.04990	33.3
71.08647	9.8
79.05485	54.9
81.03429	7.3
81.07050	100.0
82.84420	3.3
83.04972	19.2
83.08614	38.0
84.97575	2.8
85.06551	9.0
91.05473	43.3
93.07043	60.1
95.04946	15.8
95.08597	60.3
97.06524	14.5
97.10161	9.6
99.08084	15.4
105.07017	35.5
107.08595	43.5
109.06523	7.4
109.10150	24.8
111.08069	60.8
117.06974	4.2
119.08573	25.6
121.06500	3.1
121.10146	36.1
123.08058	9.0
123.11685	15.2
125.09634	6.9
129.07042	4.2
130.59950	2.6
131.08562	15.2
133.10130	29.0
135.08096	3.3
135.11719	20.3
136.98204	2.9
137.09579	7.2
137.13245	4.9
139.11157	11.2
139.58229	3.7
145.10124	7.5
147.07993	5.1
147.11679	26.3
149.09645	5.2
149.13254	15.2
151.11142	14.6
157.10098	6.1
159.11691	9.9
161.13255	12.8
163.11223	7.0
163.14865	8.2
165.12735	14.3
166.70703	2.8
171.11790	4.7
173.13187	18.5
175.11214	5.5
175.14813	6.8
177.12825	4.3
179.14290	6.1
189.12836	2.7
189.16409	5.0
191.14328	5.4
193.12227	4.1
207.17462	6.3
230.94516	3.4
231.21065	3.1
241.19557	12.7
249.22177	8.3
259.20535	17.3
269.00842	3.0
277.18600	4.8
277.21597	90.3
291.23111	3.2
309.24161	20.2
310.23529	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18763	1.8
53.03936	6.8
55.01862	9.4
55.05247	3.6
55.05502	42.3
57.03426	3.6
57.07061	10.1
59.04977	2.1
60.40437	1.7
61.66039	1.7
65.03918	2.5
67.05498	74.5
67.05860	4.6
69.03408	3.8
69.07058	37.4
69.94764	5.8
71.04978	3.2
71.08253	3.2
71.08623	30.8
79.05481	54.7
81.03416	15.8
81.07045	65.4
83.04967	16.5
83.08613	18.0
85.06520	7.1
85.10191	2.5
91.05467	30.1
92.05828	2.0
93.07032	61.2
95.00677	2.0
95.04955	26.5
95.08595	45.4
97.06509	12.0
97.10163	19.7
98.22746	2.3
99.08078	28.3
105.04466	3.3
105.07017	30.4
107.04980	4.5
107.08584	32.8
109.06470	9.3
109.10133	26.4
111.08075	7.0
117.07001	7.5
119.08578	21.4
121.10145	17.4
123.08053	3.9
123.11696	5.8
125.09625	18.1
129.07011	4.4
131.08556	7.6
133.10101	17.0
135.08026	3.9
135.11664	23.1
137.09639	3.2
137.13229	3.7
139.07495	3.0
139.11107	5.4
143.08521	4.1
145.10107	7.6
147.08115	2.3
147.11655	16.8
149.09650	3.4
149.13243	12.5
151.11151	25.8
153.09149	3.9
153.12712	3.3
157.10126	4.7
159.11700	5.4
161.13203	19.3
163.11201	7.4
163.14798	4.7
165.12720	6.6
167.43884	2.1
171.10278	2.0
171.11676	7.2
173.13248	5.3
175.11230	2.3
175.14799	8.5
177.12749	3.0
179.14305	8.8
185.13249	4.8
193.15878	2.7
199.14867	5.0
203.12732	8.7
207.13766	3.3
217.19514	2.3
221.15337	6.7
231.21016	5.0
241.19432	9.2
249.22122	4.7
259.20483	11.8
277.21585	100.0
278.21976	4.6
291.23151	6.8
309.23999	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	8.9
55.01855	5.6
55.05507	43.1
57.03426	3.4
57.07067	7.0
59.04980	4.3
65.03927	3.6
65.84612	2.3
66.20167	2.3
67.05500	100.0
69.03413	6.2
69.06710	2.7
69.07061	38.9
69.62164	5.2
71.04980	4.1
71.08625	47.4
71.75155	2.3
79.05486	54.4
81.03417	27.6
81.07048	69.9
83.04984	15.9
83.08602	23.9
85.06535	8.6
85.30701	2.0
89.29869	1.9
91.05473	35.4
93.07034	64.6
95.04963	29.9
95.08598	40.4
97.06546	10.6
97.10163	31.5
99.08088	42.7
105.07016	40.9
105.07654	4.3
107.04918	3.3
107.08584	50.8
108.08915	2.6
109.06496	8.2
109.10149	34.3
111.08053	10.1
115.05384	2.1
117.07027	12.6
117.37436	2.1
119.08558	23.8
121.06519	3.4
121.10145	30.8
123.08060	3.5
123.11665	8.0
125.09618	31.6
129.07001	8.6
131.08554	10.2
133.10133	21.7
135.08014	9.9
135.11691	23.2
137.09618	3.3
137.13235	3.1
137.32938	2.2
139.07504	6.0
139.11127	3.2
143.08537	9.2
145.10123	13.8
147.08028	2.3
147.11699	16.4
147.27966	2.4
149.13255	12.3
151.11157	34.7
153.09085	6.6
157.10109	10.9
159.11638	8.1
161.09612	4.6
161.13263	16.9
163.11148	13.1
163.14813	6.2
165.12720	4.1
169.10074	2.8
171.11693	10.2
172.36029	2.2
173.13245	5.6
175.14803	9.3
177.12711	3.6
179.14305	10.4
185.13297	6.6
187.11250	2.2
193.15833	4.1
197.13393	2.3
199.14801	2.8
201.16515	2.4
203.12735	20.2
207.13863	2.7
209.13158	2.8
213.16432	2.5
217.19469	2.7
231.20984	4.0
233.96576	2.4
235.16841	4.0
241.19511	9.4
259.20612	14.6
277.21600	80.8
278.21967	3.2
291.23392	4.7
309.21899	9.1
309.24692	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	5.1
55.01863	15.3
55.05505	39.9
55.75595	3.8
57.03426	8.9
57.07067	11.3
63.50920	4.7
67.05156	6.6
67.05502	89.3
69.07071	42.8
69.69444	9.5
69.69827	8.5
71.04955	5.9
71.08633	58.3
79.05489	56.7
81.03425	21.6
81.06615	7.5
81.07051	79.8
83.04980	21.3
83.08618	17.8
85.06539	9.7
85.10189	12.4
91.05472	35.7
92.02059	4.2
93.07039	70.2
95.04975	25.3
95.08616	57.3
97.06512	14.2
97.10140	20.9
98.97530	4.9
99.08089	56.0
101.29314	4.3
105.07027	28.5
107.04945	6.9
107.08603	42.9
109.06499	9.3
109.10139	29.9
111.08064	13.0
113.09647	20.1
117.07019	10.5
119.08586	17.4
121.06515	5.8
121.10117	22.7
123.08053	15.5
123.11715	6.4
125.09597	20.2
131.08568	5.8
133.10126	18.7
135.08023	4.9
135.11691	32.6
137.09612	8.7
137.13173	4.3
145.10092	10.4
147.11674	17.6
149.09563	7.8
149.13228	17.4
151.11172	39.6
153.09106	6.6
153.12727	9.8
157.25104	4.7
159.11624	6.3
161.09549	4.5
161.13220	14.4
163.11174	11.9
163.14920	7.7
165.12778	19.1
171.11670	6.8
173.13255	6.2
175.14784	4.7
179.14311	17.7
185.13190	8.5
188.07109	7.5
196.11057	6.6
203.12822	13.9
207.13707	4.7
221.15341	5.2
231.21083	5.0
241.19449	16.0
249.22032	5.5
259.20557	17.4
277.21609	100.0
291.19537	5.0
309.07571	7.0
309.20676	9.3
309.24185	25.5
310.18100	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	309.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01839	1.1
55.05259	1.0
55.05502	14.0
57.03418	2.6
57.07070	4.6
58.06572	0.6
59.04981	0.7
65.03918	0.8
67.05499	19.3
69.03410	2.3
69.07059	21.0
70.44852	0.6
71.04993	4.2
71.08621	1.6
71.20401	0.8
79.05482	10.0
81.03401	1.4
81.07046	50.4
83.04978	4.5
83.08611	8.6
85.02905	1.4
85.06544	3.6
91.05478	5.8
93.07031	14.7
95.04411	1.1
95.04957	14.9
95.08593	40.5
97.02874	0.9
97.06522	5.2
97.10151	7.8
98.22765	0.8
98.97529	0.8
98.98485	1.2
99.08062	2.8
105.07014	6.3
107.04943	1.2
107.08586	12.0
108.08077	0.9
109.06493	2.7
109.10142	20.1
110.10424	0.9
110.18882	0.8
111.08062	2.9
111.11706	2.1
113.05994	1.0
119.04910	1.4
119.08565	4.4
121.06480	1.6
121.10130	9.7
123.08028	2.5
123.11678	14.1
125.09618	3.0
125.13244	1.0
126.09178	0.7
129.06958	0.9
131.08557	2.2
133.10107	2.9
135.08035	1.4
135.11673	6.2
137.09633	1.7
137.13223	4.1
139.11136	1.0
145.10152	1.7
147.04321	3.2
147.08069	1.0
147.11674	2.4
149.09586	1.8
149.13251	7.8
151.14801	2.3
153.12729	1.5
155.01009	0.8
157.10077	0.8
159.11679	1.3
159.29578	0.6
161.13197	1.2
163.03906	0.8
163.11244	1.0
163.14836	3.9
165.09135	1.4
165.12671	0.8
171.11726	0.9
177.16371	1.7
179.17903	0.8
191.17876	1.1
221.07126	5.1
222.07822	3.9
223.91019	0.8
234.06662	0.8
247.16724	1.5
249.06638	8.9
249.09088	1.4
250.07307	22.5
251.07712	2.7
253.06053	1.0
266.06799	5.1
266.21072	4.6
267.07556	2.3
273.18427	2.8
273.25681	1.7
277.08557	1.4
281.05542	1.1
281.08844	0.7
291.19629	5.4
291.26770	3.3
294.06210	1.2
309.08627	100.0
309.20474	4.5
309.27881	5.3
310.08893	8.0
310.23633	2.6
314.35828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01859	12.6
55.05250	2.2
55.05504	30.7
57.03427	3.6
57.07069	12.0
58.50749	1.3
59.05000	2.9
61.55167	1.3
65.03905	1.3
67.05496	40.2
69.03416	12.6
69.07058	53.7
69.29229	7.6
69.72092	1.1
70.06577	1.3
71.04997	7.5
71.08616	2.9
72.95265	1.3
79.05479	23.2
81.03412	5.8
81.07044	100.0
82.07383	2.8
83.04971	9.3
83.08611	24.2
85.02888	1.8
85.06527	41.2
85.10164	1.6
89.03912	1.3
91.05465	11.8
93.07027	35.3
93.57136	1.3
95.04945	11.7
95.08591	79.5
96.08927	2.8
97.02876	1.8
97.06513	13.6
97.10148	9.6
98.98442	1.9
99.04420	1.6
99.08069	13.0
105.07021	15.8
107.04948	3.7
107.08577	42.2
108.08964	1.6
109.02866	6.2
109.06505	5.9
109.10140	48.1
111.04395	1.5
111.08064	76.1
111.11715	9.7
112.08427	1.3
113.09644	2.4
117.07010	2.5
119.04961	3.9
119.08567	16.1
121.06484	5.0
121.10126	25.9
123.04422	2.4
123.08052	4.8
123.11694	29.3
125.09615	18.3
127.03910	1.6
131.08556	3.9
133.10127	7.7
135.04381	1.7
135.08020	5.8
135.11676	17.1
137.05983	1.8
137.09586	17.1
137.13231	9.1
139.11165	5.6
143.08556	3.6
145.10063	3.6
147.04367	10.0
147.08014	3.2
147.11650	5.6
149.09621	2.1
149.13231	17.3
151.14793	1.6
153.09076	2.5
153.12737	8.0
157.10132	3.0
159.08037	2.8
159.11716	4.0
161.09570	3.0
161.13293	3.9
161.35916	1.3
163.03906	4.8
163.07538	1.4
163.11095	2.5
163.14752	7.3
165.09058	8.0
165.12718	1.9
167.14317	4.2
171.11668	2.6
173.09625	1.7
173.13309	1.7
175.14873	3.0
177.16370	4.1
178.46263	1.5
179.10643	2.5
181.15945	1.9
187.11099	1.7
189.12747	2.4
191.17896	2.6
196.09535	6.5
199.14783	1.9
203.08557	1.6
203.14342	1.7
203.17888	1.9
206.07222	2.0
210.27638	1.6
221.15349	2.3
234.06744	3.9
235.07494	1.5
243.17346	2.8
246.07512	3.3
249.06728	2.5
249.09126	5.3
250.07256	4.0
252.06584	1.5
261.18622	1.5
265.08881	1.5
266.09375	1.9
267.06650	1.7
273.18365	3.4
277.08575	8.5
281.11627	3.8
291.19537	6.7
291.26691	8.6
292.26501	1.6
294.05988	1.6
294.09061	2.8
309.08069	12.2
309.11218	7.7
309.17136	15.3
309.20737	10.0
309.27811	38.0
310.11740	3.3
310.28183	3.0
316.29111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46339	1.0
53.03935	1.6
55.01864	13.2
55.05502	31.2
55.70588	1.0
57.03429	5.3
57.07071	11.4
58.06572	1.1
59.04970	3.1
65.03924	2.3
67.05163	1.6
67.05495	31.1
67.05857	1.5
69.03419	11.5
69.07057	51.4
69.65267	1.2
69.65611	3.8
70.06590	1.3
70.07367	1.3
71.04980	6.5
71.08602	4.3
75.04462	1.8
79.05479	20.0
81.03414	1.6
81.07045	100.0
82.07391	1.4
83.04980	5.1
83.08607	21.2
85.02893	11.9
85.06042	2.0
85.06535	31.7
85.10155	2.1
91.05476	10.3
93.07035	28.3
95.04964	8.0
95.08592	59.4
96.08905	1.4
97.02892	5.5
97.06525	8.5
97.09281	1.0
97.09544	1.1
97.10152	11.6
98.98439	3.2
99.08070	10.9
105.07027	9.5
107.08576	27.4
109.06503	3.3
109.09417	1.7
109.10146	32.4
111.04364	1.6
111.08066	84.8
111.11015	1.3
111.11671	8.4
112.08373	2.2
113.09641	2.6
115.03896	4.4
117.03359	1.1
117.07004	1.9
119.04945	2.2
119.08555	7.0
121.06423	1.2
121.10133	18.7
123.08107	1.3
123.11687	23.2
125.09601	16.1
125.13207	2.3
129.05453	2.6
131.08521	1.7
133.06511	1.1
133.10075	6.7
135.04379	2.3
135.07964	1.3
135.11671	13.7
137.09512	2.2
137.13255	9.6
139.11156	4.6
145.02866	1.8
145.10071	2.0
147.04425	6.9
147.06494	1.9
147.11661	4.3
149.13220	17.6
151.11145	1.4
151.14790	2.1
153.12668	4.0
161.09517	1.3
161.13261	2.1
163.03894	8.6
163.11086	1.2
163.14801	7.2
165.09077	1.7
167.14290	3.1
175.14819	2.0
177.16365	2.4
189.16371	1.3
191.17940	5.7
203.17920	1.3
209.18947	4.1
221.07164	1.8
221.09584	1.2
222.07797	1.8
249.06712	5.2
250.07310	11.2
266.06747	3.4
273.25620	1.4
277.05859	2.9
277.08569	1.9
281.05457	1.6
281.11615	2.2
291.26767	5.9
293.05405	1.2
309.08582	53.6
309.20465	3.1
309.27838	29.9
310.08966	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	310.1069
Annotation	Norrufescine
Peak:m/z	Relative Intensity
55.05499	1.9
57.03410	1.2
58.06587	3.1
67.05498	5.2
69.03407	1.9
69.07036	2.0
70.04134	2.9
71.04982	1.5
79.05477	4.9
81.07046	10.9
83.08585	2.1
86.09692	2.1
91.05467	3.1
93.07025	4.0
95.04971	1.9
95.08598	9.9
97.02864	1.3
97.06531	2.8
105.07007	4.3
107.04958	1.0
107.08578	2.2
109.10127	1.9
115.03936	6.7
119.08572	3.0
121.10086	1.4
132.04419	3.6
133.10162	2.7
137.05962	1.0
144.00105	1.3
161.13235	8.5
176.07146	2.1
179.07257	2.4
179.14294	5.2
190.06467	7.4
197.91534	1.0
204.08064	3.0
207.06720	11.9
218.05986	1.4
219.06763	50.3
220.07527	30.9
221.07806	1.1
222.09093	2.1
232.07491	1.7
234.09079	16.4
235.06245	59.1
236.07008	29.7
237.07292	1.7
250.08595	69.4
251.08946	4.9
263.05692	5.6
264.06558	12.2
278.08081	100.0
279.08356	5.4
293.21036	1.3
310.10666	33.4
310.20660	4.5
311.10968	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	310.201
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
53.03926	0.7
55.01854	1.0
55.05504	9.4
57.03429	0.8
57.05804	0.8
59.09636	0.5
61.32840	0.5
67.05495	6.4
67.13608	0.5
68.05823	0.9
69.07033	2.9
69.07636	2.5
72.08145	100.0
73.08488	1.4
79.05484	5.3
81.07042	8.6
82.07395	0.8
83.04957	3.9
83.08608	0.7
91.05465	11.0
92.05794	0.8
93.07030	17.2
94.07360	1.3
95.04961	3.7
95.08597	3.1
96.08965	0.9
97.06528	1.1
98.23531	1.1
103.05490	0.7
105.07012	17.6
107.08578	4.6
109.06503	11.1
109.10140	2.9
110.06046	0.8
111.08083	2.6
114.09140	4.9
117.07007	1.1
118.08639	36.9
119.08537	5.8
121.06483	0.6
121.10104	1.1
123.08064	1.5
123.11706	0.7
128.32841	0.5
129.06963	1.0
131.08539	3.1
133.06471	1.0
133.10110	20.4
134.10516	0.9
135.08089	0.8
142.08604	1.6
145.10144	0.7
147.11671	14.3
148.12061	0.6
149.09596	1.7
151.07570	3.3
151.11156	50.0
152.11507	1.9
165.12775	2.2
175.11176	4.2
193.12251	4.1
199.25487	0.6
202.11267	0.5
208.13248	0.7
218.05904	0.7
246.18454	6.9
252.06641	0.6
264.19531	21.4
265.19797	1.2
290.02789	0.7
292.18973	5.9
310.20071	15.2
311.10281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.6
57.07059	1.1
58.06584	1.5
67.05484	3.3
67.88284	0.6
69.07043	2.9
69.68903	1.0
69.69228	1.7
70.06581	11.8
79.05474	3.8
81.07050	4.4
82.06583	0.7
82.39853	0.7
83.07338	1.9
91.05446	3.9
93.07052	4.1
95.08583	1.5
96.08118	1.7
97.49144	0.6
105.07011	3.9
107.08574	1.9
108.08084	1.0
109.08952	0.8
109.10152	0.6
110.09653	1.3
111.10429	0.7
112.11214	0.9
117.07013	2.6
119.08560	5.5
120.08092	1.2
121.06461	0.6
122.09652	8.4
128.06204	2.0
129.06992	10.5
131.08549	4.7
133.08792	0.7
133.10063	2.1
134.09525	0.8
136.11151	1.7
137.11975	2.6
141.06998	1.2
142.07764	1.5
143.08543	7.5
143.65019	0.7
144.09288	1.2
145.10065	3.7
147.11655	0.9
148.11133	1.4
150.12704	1.0
157.08849	1.3
157.10083	8.3
159.11638	1.0
169.10065	0.9
170.09612	0.9
170.10884	1.1
171.11659	3.9
172.11101	1.0
173.11784	1.4
173.13258	4.3
174.12698	3.8
175.14818	0.8
185.13229	1.6
186.12723	4.8
188.14351	1.2
193.04904	1.2
198.12808	1.0
199.14833	3.6
209.11632	1.4
212.14204	3.4
214.15764	1.1
224.14325	2.8
225.14917	0.9
226.15887	3.0
228.17372	1.2
237.11247	1.4
238.15892	0.9
240.17476	3.7
241.18080	2.3
252.17439	5.4
254.18951	1.8
255.19672	0.8
266.19003	3.0
275.20016	2.2
280.20520	3.3
281.21533	1.1
287.11719	0.9
293.20981	1.3
294.21906	0.8
308.23880	1.1
310.25217	100.0
311.25479	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	310.2525
Annotation	Holaromine
Peak:m/z	Relative Intensity
51.19981	0.8
55.01873	0.8
55.05512	3.9
57.07082	4.5
58.06584	1.0
67.05496	4.9
69.07039	2.4
70.06590	4.6
71.43894	0.8
72.38464	0.8
79.05481	7.4
80.04979	1.2
81.07039	3.8
82.06580	0.9
83.04959	2.5
91.05477	6.6
93.07033	6.5
95.04951	1.7
95.08591	2.4
96.08106	3.6
98.22709	2.3
105.07004	7.2
107.04950	1.0
107.08566	3.3
108.08096	1.8
109.02853	1.1
109.10168	0.8
111.04421	2.9
111.08054	0.8
115.05460	0.8
117.07003	3.5
117.93057	0.8
118.98489	0.8
119.08544	7.2
120.08093	1.2
121.10131	1.0
122.09655	5.8
125.05987	1.2
129.06964	7.0
131.08557	9.1
133.10127	1.9
134.09644	1.3
136.11201	1.9
143.08556	4.7
145.10114	5.1
146.09618	2.8
147.11725	0.9
148.11224	1.5
149.13269	1.5
150.12730	0.8
153.05484	4.0
157.08917	1.7
157.10121	5.7
158.09579	1.0
160.11188	1.6
161.13208	2.0
162.05492	5.3
162.12811	1.2
171.11674	2.2
173.13226	6.1
174.12726	5.0
177.07799	3.6
181.05057	1.1
181.12230	1.3
184.11218	1.3
185.13275	1.8
186.12746	8.4
188.14334	1.7
191.10628	2.1
198.12756	1.5
209.11687	18.4
209.13481	1.6
212.14258	4.5
224.14294	1.5
226.15852	4.7
228.17480	2.0
237.11159	15.4
238.15977	1.9
240.17445	5.6
241.18140	1.4
252.17564	4.0
254.19081	3.2
255.12283	3.3
266.19092	1.8
280.20593	3.6
281.21310	1.0
292.22604	2.1
293.17480	1.2
308.23575	1.0
310.25238	100.0
311.25546	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	19.4
57.03418	5.6
58.66312	3.8
58.90546	3.8
69.03423	20.9
70.06581	7.6
70.33865	3.6
71.28025	6.9
81.03410	9.0
84.08125	11.2
85.02894	12.1
97.02879	11.6
98.97569	13.6
102.91440	3.8
107.04935	10.5
115.03897	11.2
116.98591	7.1
121.06537	5.3
123.04418	4.2
127.03876	10.7
129.05429	5.4
130.24266	3.9
131.04881	5.3
134.06033	4.6
134.99661	6.4
137.05937	22.8
139.77536	4.4
145.01820	3.8
146.06071	4.1
150.05466	4.5
156.03270	8.0
158.06682	4.4
163.07608	4.7
174.04422	10.9
175.04707	4.5
177.00908	5.2
181.06406	8.3
186.04387	11.8
190.95264	6.2
191.07245	4.2
204.05357	6.3
216.98579	4.9
219.01973	14.0
229.08478	5.3
232.96315	10.9
234.99889	5.6
250.97386	4.5
274.30066	4.2
275.09467	4.5
286.97128	7.6
299.04947	4.9
311.01553	100.0
311.04572	4.6
311.07388	9.8
311.10965	29.7
312.07709	17.2
329.05591	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	311.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	33.9
55.05503	20.9
57.03425	28.5
61.02910	15.0
63.99991	8.5
67.05508	21.2
69.03419	52.6
69.07065	11.6
73.02918	73.0
79.05489	45.1
81.03410	23.3
81.07060	17.1
83.04969	9.3
83.08615	11.0
84.08097	8.0
85.02905	51.3
91.05473	41.4
93.07034	100.0
95.04970	13.4
95.08622	9.7
97.02901	48.1
100.11258	72.1
103.05461	11.1
105.07017	24.7
107.04989	8.9
107.08593	39.4
109.10148	11.6
111.04433	9.6
115.03937	51.9
117.13895	13.2
119.08575	12.5
120.76395	9.2
121.06493	13.7
121.10147	74.5
122.06013	13.4
125.02375	20.7
127.03902	14.8
130.06532	10.9
131.04927	13.9
131.08583	10.6
132.04445	42.8
133.02887	13.3
133.04953	99.3
133.10065	14.8
137.05936	61.8
148.06232	13.1
149.06006	16.0
149.07115	14.2
149.09612	33.4
151.07539	12.7
153.07089	9.9
156.97829	13.5
160.07541	18.9
163.07498	19.5
165.06952	11.5
172.07623	9.7
177.05406	16.5
179.05540	33.0
187.07553	19.3
188.07031	48.9
191.08525	10.7
206.08144	20.0
216.06589	21.5
219.07977	18.8
219.36507	9.9
234.07607	26.1
247.07481	10.6
251.10596	37.9
261.08765	29.7
262.07001	45.1
266.07941	11.1
267.24185	10.5
279.07190	11.8
279.10068	40.0
293.22119	13.8
311.09573	24.3
311.12827	66.6
311.18091	10.2
311.23169	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	311.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05505	0.4
67.05484	0.3
69.07048	0.6
69.38258	0.5
69.38663	0.8
79.05472	0.6
81.07029	0.7
83.08573	0.4
91.05502	0.6
93.07031	0.7
95.04998	0.4
95.08596	0.9
105.07011	0.3
107.04952	0.9
107.08569	0.6
109.10151	0.4
115.03879	0.6
118.61591	0.3
119.08590	0.3
121.10147	0.5
123.11658	0.3
128.99495	0.3
133.05153	0.5
135.06825	0.3
137.05974	1.5
148.03917	0.3
151.23363	0.3
161.05934	0.5
162.05460	0.4
165.06990	0.5
177.06648	0.6
180.08131	0.5
181.06429	1.6
187.07568	0.3
190.07869	0.4
191.08540	0.7
196.07491	0.4
201.00192	0.3
201.67493	0.2
206.05978	0.5
207.06766	0.7
208.07536	4.9
209.08131	0.3
214.69048	0.3
218.05952	0.9
219.08119	0.7
224.06982	0.9
225.07765	2.9
235.06177	0.5
236.07024	100.0
237.07318	5.3
239.12794	0.3
240.10243	0.4
247.07401	0.4
250.08578	0.5
251.05728	0.9
251.08063	0.9
251.10707	1.2
252.06503	8.0
253.07240	5.9
261.45953	0.3
265.08389	0.4
266.08090	0.4
268.09641	25.0
269.10037	1.4
279.04987	0.6
279.07614	3.3
279.10159	1.3
280.05811	0.5
294.07257	0.3
311.06360	0.4
311.09473	2.1
311.13257	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	311.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85276	0.1
70.29849	0.3
74.68199	0.1
75.53876	0.1
80.74905	0.2
81.07046	0.3
81.08976	0.1
91.05501	0.2
99.85574	0.1
144.08063	0.1
153.06975	0.3
177.06520	0.3
180.08055	0.9
181.06448	1.0
190.06415	0.2
196.07457	0.2
207.06787	1.0
208.07559	4.6
218.05887	0.7
225.07687	0.7
235.06232	0.4
236.07027	100.0
237.07355	4.9
250.08658	0.2
251.05621	0.4
251.08157	0.2
251.10652	0.3
252.06497	1.9
253.07338	1.4
268.09653	5.6
269.10101	0.4
279.07507	0.5
279.10135	0.3
311.10114	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26165	4.1
69.26567	10.3
70.09661	1.9
79.05454	3.3
91.05450	2.6
95.04935	6.7
96.04494	2.4
104.05019	11.4
104.05543	1.9
106.06532	2.7
107.04919	4.4
111.06827	2.8
115.05402	2.6
116.04974	2.0
122.06008	20.1
132.04439	26.2
134.05971	7.4
137.05960	23.4
141.06947	3.7
148.03902	6.6
150.05481	14.1
152.06160	17.8
153.06976	36.0
154.06425	3.9
162.05473	24.1
165.06996	10.9
166.06380	2.3
167.07289	20.1
167.08560	4.1
168.05667	2.7
168.07983	8.6
169.06392	6.1
170.06000	2.4
178.06448	6.0
179.05922	2.5
180.08060	19.2
181.06445	16.6
181.08807	3.2
182.05879	4.1
182.09625	4.7
183.06647	4.7
184.07590	3.5
187.04932	3.4
187.07515	5.4
190.06458	7.9
192.08055	2.7
193.07538	5.0
194.06018	4.5
194.08264	12.4
195.06747	20.3
195.08466	2.7
196.07567	19.2
198.05531	2.8
199.07489	7.9
205.07632	11.4
206.05965	15.5
206.08144	4.9
207.06703	8.4
208.07587	22.7
210.09084	15.7
211.06052	3.3
212.06990	4.7
219.08006	3.4
220.07465	2.3
222.05647	4.3
222.07809	14.4
223.06192	26.7
223.08604	13.3
224.07016	30.4
225.07684	7.3
226.08499	4.2
233.07056	6.7
234.05424	6.5
234.07787	7.2
235.06184	11.2
235.08452	4.9
236.07121	26.0
237.06601	2.2
237.10179	16.2
238.08586	22.7
239.07962	3.1
240.10292	3.6
247.07625	3.0
250.07166	18.2
251.05673	39.9
251.08115	47.5
251.10750	5.7
252.06442	22.9
253.07047	3.0
261.06458	5.8
265.09741	38.3
266.08051	52.2
266.10550	3.5
267.06195	16.1
268.09671	3.9
278.06702	4.3
279.05121	2.3
279.07599	39.0
279.10266	6.3
283.10767	12.9
293.09161	54.8
294.07425	23.3
296.10461	3.0
298.42276	2.1
311.10104	100.0
311.12750	6.2
312.10782	4.6
314.95255	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Ovalitenin B
Peak:m/z	Relative Intensity
55.05500	1.3
65.03925	0.8
67.05499	3.2
69.07064	1.2
71.44106	0.7
71.74579	0.6
78.98885	0.6
79.05500	3.4
81.07048	3.1
91.05466	9.5
93.07032	4.5
95.04960	1.4
95.08586	6.8
95.72160	0.6
97.06522	0.8
103.05429	0.9
105.07012	4.5
107.04955	2.1
107.08576	6.7
109.06493	1.0
109.10136	7.5
115.05434	2.1
117.07027	1.7
119.04920	3.6
119.08540	1.3
121.06473	1.6
121.10130	2.8
123.08062	3.6
125.09592	0.6
129.06976	0.8
131.04916	6.0
131.08536	1.5
133.06467	2.2
133.10081	1.1
135.04376	1.7
135.08023	0.8
137.09595	6.5
137.36314	0.6
143.04861	1.5
145.06496	1.2
147.04378	17.4
148.04713	0.7
149.09595	2.7
159.04378	6.3
163.03854	5.5
171.04390	1.8
173.05954	1.4
175.03880	100.0
176.04228	2.7
181.06390	0.9
187.03860	3.5
189.01793	2.5
189.05434	18.1
190.02609	1.0
190.05769	1.1
191.03345	15.5
195.07990	1.5
199.03848	1.7
201.05499	4.6
203.06981	8.8
205.04944	6.5
213.05461	5.4
215.03354	5.3
215.07027	2.5
216.06389	0.7
217.04991	3.2
219.06377	0.9
227.06999	1.7
231.06511	2.4
237.09189	1.0
241.08652	1.8
251.06940	0.7
251.10620	1.0
252.01686	0.6
253.08589	3.1
255.10158	1.4
269.08395	4.1
269.11566	6.1
283.09647	2.2
283.13248	10.2
293.11633	7.4
294.12137	1.1
311.09607	0.8
311.12723	19.7
311.16306	1.0
312.12833	1.1
312.24960	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03925	1.2
55.01861	1.4
56.39265	0.5
57.03416	1.5
63.41999	0.6
65.03928	0.8
67.05489	1.0
69.03417	4.5
70.64709	1.1
75.04459	1.4
77.03915	0.7
77.57606	0.6
79.05489	4.9
81.03382	1.1
81.07034	5.2
85.02889	1.2
91.05466	5.8
93.07031	13.8
93.59424	0.6
94.04172	4.9
95.04941	2.5
97.02863	2.8
99.04430	1.2
103.05450	1.0
104.68932	0.6
105.04478	0.8
105.07022	4.3
107.04942	2.6
107.08590	1.5
109.06509	6.1
109.10121	0.7
111.08019	1.0
115.03922	2.1
115.05446	1.1
119.08540	1.2
121.06487	1.4
121.10134	16.5
122.03632	9.2
123.04408	1.1
128.06229	0.8
129.07010	1.2
131.04936	1.4
131.08548	1.2
133.06485	1.7
134.03644	0.9
135.04384	1.0
137.05960	100.0
138.06273	1.9
144.05704	3.8
145.05107	0.7
145.06438	1.8
149.05986	4.7
149.09624	2.1
155.04886	3.1
157.05103	0.6
159.07976	3.1
161.05945	5.3
161.09740	0.7
163.03906	0.8
165.06960	1.8
167.10667	5.1
172.05165	6.1
175.07529	1.6
179.08589	1.3
180.09312	1.3
187.07518	30.4
188.08147	2.7
189.06966	3.2
190.07745	9.8
191.03371	2.7
191.08521	22.6
192.09232	0.8
194.07278	0.7
195.07954	0.7
201.07008	1.1
202.07845	1.2
203.08476	1.1
205.04926	1.8
205.06595	0.7
207.08041	3.1
208.08817	5.2
209.09534	1.3
211.07492	1.1
218.07248	6.6
219.08025	40.0
220.08641	4.5
221.05928	2.3
221.09575	0.8
223.11104	0.8
225.09041	0.9
227.06956	0.9
229.07587	0.9
233.09544	2.9
234.06647	0.7
235.07500	4.5
236.08286	10.5
237.09019	2.2
240.07668	1.2
246.06696	1.6
247.07506	17.4
248.08199	4.9
249.05331	1.4
250.06244	0.8
251.10655	34.6
252.11014	1.9
253.08620	5.4
255.06454	0.8
261.09143	4.3
262.09650	0.7
263.07022	1.7
264.05154	1.1
264.07767	9.1
265.08514	3.2
266.05795	0.7
268.07080	1.3
268.10831	1.3
270.08832	1.3
277.08304	0.7
278.09329	1.2
279.10117	44.6
280.10757	7.1
281.08063	5.9
283.09604	3.8
283.13028	1.1
293.11508	2.1
295.09604	1.5
296.10416	10.4
297.10730	0.9
311.12701	60.3
312.13077	3.1
324.07080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	Ovalitenin B
Peak:m/z	Relative Intensity
50.34543	0.6
55.05503	1.3
63.50083	0.6
65.03953	1.1
67.05499	3.7
69.07072	1.0
70.63569	0.5
79.05496	1.8
81.07051	2.7
86.85808	0.6
91.05464	13.8
93.07065	3.8
95.04956	2.1
95.08594	6.9
97.06560	0.7
97.10163	0.9
99.04420	0.6
103.05447	1.2
105.07033	4.6
107.04913	1.0
107.08598	4.2
109.06471	1.1
109.10158	7.3
113.60064	0.6
115.05429	2.5
117.06987	1.5
119.04921	4.9
119.08567	2.1
121.02815	0.7
121.06489	2.1
121.10120	2.7
123.08044	2.2
128.06282	0.8
131.04916	6.3
131.08562	1.0
133.06474	2.7
135.04318	0.9
137.05983	2.4
137.09605	5.8
139.11133	0.9
143.04906	2.1
145.06389	1.3
147.04391	21.0
149.09622	2.3
159.04382	6.3
161.05974	0.7
163.03886	2.8
171.04411	1.7
173.05988	2.7
175.03883	100.0
176.04199	2.2
177.05421	0.9
181.06479	0.8
187.03877	3.3
187.07559	1.1
189.01804	2.7
189.05431	19.3
190.02603	1.4
191.03372	5.7
191.08469	1.1
197.05803	0.8
199.03876	2.1
201.05447	3.5
203.07011	7.8
205.04932	7.8
209.09529	0.8
213.05457	5.2
215.03426	4.5
215.06950	2.9
217.04922	1.9
219.06442	2.0
219.08218	1.3
225.09145	0.8
227.06970	1.7
231.06596	0.8
234.63789	0.7
241.08492	1.7
251.07008	1.2
251.10559	2.0
253.08521	3.1
264.07773	0.8
267.10165	0.8
269.08319	0.7
269.11621	4.6
279.09991	2.2
283.10001	1.1
283.13235	10.8
293.11618	5.9
311.08865	2.7
311.12653	21.7
312.13046	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01866	1.8
55.05503	2.3
57.03431	3.9
59.04985	0.9
61.02918	0.7
65.03931	0.8
67.05489	2.6
69.03421	13.7
69.07060	0.7
71.04976	2.4
71.43086	0.7
73.02910	1.7
77.03894	1.1
79.05484	15.5
81.03406	7.3
81.07044	9.4
83.04977	0.7
85.02892	7.8
87.04422	0.5
90.96029	0.5
91.05470	10.8
93.07032	39.1
95.04953	5.9
95.08591	5.2
97.02882	8.6
97.06521	1.6
99.04448	2.4
103.03915	0.7
103.05447	1.6
105.04483	1.1
105.07015	16.9
107.04929	2.2
107.08580	11.7
109.02850	2.9
109.06506	2.5
109.10129	0.8
111.08011	0.7
115.03910	0.7
117.07014	1.8
119.08576	9.2
121.06508	3.1
121.10127	100.0
122.10427	2.7
123.08062	3.4
123.11697	8.1
125.05970	1.8
127.03901	4.5
129.06976	1.0
130.07857	0.6
131.04784	0.5
131.08569	4.8
133.06557	0.7
133.07579	1.5
133.10129	1.7
135.08090	0.6
135.11661	1.9
137.05957	3.6
139.11145	3.4
145.04979	1.2
145.06508	0.6
145.10127	1.5
147.08025	3.7
147.11681	0.9
149.09593	21.2
151.11209	0.6
157.10272	0.6
159.08006	0.8
161.05931	1.0
161.09604	1.4
163.11169	1.6
167.10658	16.2
173.09668	0.9
177.09029	0.7
187.07468	1.0
191.08559	1.4
191.10635	1.5
211.11192	0.6
215.10660	1.0
218.07310	0.5
219.08017	1.5
233.11699	0.8
251.10625	2.2
264.07797	0.9
279.10083	1.9
293.13937	1.3
311.05490	0.9
311.09140	0.8
311.14844	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	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97019	0.6
53.03936	3.3
55.01860	2.0
55.05495	2.2
57.03427	4.6
59.04991	1.2
61.02915	1.0
65.03938	0.8
67.05490	2.7
69.03059	0.9
69.03421	13.6
69.69593	1.4
69.69987	1.2
71.01306	0.9
71.04974	2.0
73.02896	2.5
73.85842	0.7
77.03909	1.4
79.05488	15.8
81.03409	6.6
81.07047	8.8
83.04982	1.5
85.02887	8.9
86.97194	0.6
87.04446	0.9
91.05468	11.6
91.06035	0.8
93.07036	41.2
94.07364	0.9
95.04961	6.7
95.08580	5.6
97.02877	8.8
97.06516	1.3
99.04449	3.1
103.03905	1.0
103.05450	1.6
105.04534	1.3
105.07017	17.3
106.07850	0.7
107.04932	2.7
107.08582	14.3
109.02866	2.6
109.06503	2.7
111.04446	1.0
111.08037	1.1
115.03926	1.6
116.06242	0.6
117.07008	1.7
119.04891	0.6
119.08563	9.2
121.06490	2.6
121.10130	100.0
122.10471	2.7
123.08067	2.9
123.11705	8.0
125.05988	2.2
125.84329	0.7
127.03896	3.9
129.07001	1.2
131.08542	4.8
133.06471	0.9
133.07579	1.7
133.10127	1.7
135.07980	0.8
135.11684	1.4
137.05937	5.1
139.11176	3.6
143.08537	1.3
145.04938	1.5
145.10107	2.5
147.08047	4.4
149.06029	1.2
149.08466	1.4
149.09604	19.7
157.10112	0.8
159.08014	0.8
160.05351	0.6
161.05934	0.7
161.09584	1.8
163.11137	1.7
167.10664	17.4
169.10086	0.8
173.09637	1.1
182.64104	0.6
183.08109	0.7
187.07529	1.7
187.11145	0.9
189.09074	0.8
190.07774	0.9
191.03415	0.7
191.08563	1.1
191.10652	0.9
195.27580	0.6
196.69641	0.6
205.04959	0.7
209.66521	0.7
211.11118	0.7
218.07211	0.7
219.08020	2.2
247.07509	0.7
247.13506	0.7
251.10641	2.7
275.12833	0.7
279.10217	2.9
293.13895	2.1
294.13763	0.6
307.66940	0.7
311.09338	0.8
311.12384	2.6
311.14963	3.3
311.18204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.6
53.03951	3.2
55.01856	2.7
55.05499	4.7
57.03428	7.3
60.04486	1.1
61.02913	2.3
61.20688	1.2
67.05489	4.1
69.03060	1.7
69.03421	26.8
69.07053	2.0
71.04982	3.0
73.02886	1.4
75.04461	4.7
77.03896	1.3
79.05483	32.3
80.05814	1.3
81.03410	10.9
81.07040	7.5
83.04961	2.4
85.02908	11.5
87.04446	2.3
91.05473	19.7
93.07032	95.8
94.04144	1.8
94.07345	1.8
95.04948	10.3
95.08607	2.8
97.02869	16.0
97.06548	1.5
99.04439	3.1
103.05470	3.5
105.04520	3.0
105.07014	19.7
107.04922	6.5
107.08579	22.4
109.02865	4.4
109.06519	3.4
109.10126	1.4
111.04450	1.4
111.08071	4.4
112.51212	1.2
115.03913	3.9
115.05461	1.7
117.03410	1.3
117.06969	2.1
119.08585	6.3
121.06490	4.3
121.10130	100.0
122.03629	3.4
122.10474	3.3
123.08076	2.7
123.11697	2.4
125.05967	1.4
127.03884	5.0
128.06248	1.5
131.04897	1.8
131.08571	5.6
133.04953	6.7
133.06496	3.6
133.10088	3.4
135.04408	2.0
137.05957	42.5
139.11191	1.3
141.06961	1.3
144.05663	2.4
145.04895	2.2
145.06519	1.7
145.10107	1.6
147.08011	1.2
149.05980	4.7
149.09586	17.0
151.07545	1.7
153.26436	1.4
155.04884	3.4
156.96107	1.3
159.08076	3.2
161.05971	7.1
163.03918	4.2
165.06953	3.2
167.06970	1.4
167.10669	23.6
172.05176	1.6
175.07518	3.1
177.05455	2.4
179.08604	1.4
187.07504	9.9
189.06999	2.7
190.07729	9.6
191.03363	8.1
191.08498	14.2
192.08966	1.5
205.04956	3.5
207.08072	2.9
207.09889	1.5
208.08783	1.7
218.07275	5.6
219.08046	25.1
220.08748	3.3
221.05894	2.6
225.10944	1.4
227.07019	2.0
235.07501	3.9
236.08305	5.4
237.09105	1.5
247.07478	10.6
248.08156	1.3
249.05595	1.4
249.09128	1.4
251.10652	26.4
251.13112	2.3
252.10947	1.8
253.08609	2.9
255.06450	1.5
261.09106	1.3
264.07800	5.3
269.08063	1.6
279.10074	25.5
280.10739	3.5
280.17044	1.4
281.07919	3.1
283.09644	2.2
283.12967	1.7
293.14212	1.5
294.11761	1.5
295.09378	1.5
296.07092	1.1
296.10416	4.0
311.05875	1.7
311.12692	43.2
311.18469	3.0
312.13040	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	311.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44440	0.9
55.05508	6.1
57.07059	3.0
61.36341	0.8
67.05492	6.2
69.03418	2.0
69.07050	7.5
71.08617	1.2
79.05477	4.1
81.07051	12.7
83.08610	3.6
85.06525	3.8
89.26568	0.9
91.05463	1.8
93.07034	4.3
95.04963	1.4
95.08101	1.1
95.08607	11.5
97.02868	2.3
97.06532	1.2
97.10143	2.8
98.97559	0.9
98.98438	1.6
99.08090	2.2
99.33202	0.9
105.07025	1.2
107.08564	3.1
109.06469	1.2
109.10123	5.9
115.03902	3.4
117.92577	0.9
121.06513	1.2
121.10111	1.6
123.11700	3.7
133.10167	1.0
137.05931	2.0
137.13229	1.5
149.13304	2.5
173.13275	1.0
191.08574	1.0
203.57391	1.0
268.05630	1.3
279.10022	1.5
293.17255	0.9
311.12537	2.8
311.18240	100.0
311.29416	3.4
312.18625	4.2
334.97681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.8
57.07074	0.6
67.05500	1.7
69.03403	0.7
69.07065	2.9
69.07381	0.5
69.24558	2.1
69.24962	0.9
75.50954	0.4
77.09405	0.4
79.05473	1.3
81.07046	5.0
83.08598	1.6
85.06531	0.5
91.05479	0.6
93.07023	1.2
95.08603	3.6
97.10162	1.5
99.08091	0.5
107.08562	0.9
109.10130	2.6
111.11714	0.6
115.03924	1.3
121.10027	0.7
123.11687	1.3
135.11656	0.6
137.05951	0.6
149.13239	0.9
226.94698	0.4
266.14917	0.5
275.27036	0.5
311.18231	100.0
312.18604	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	311.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
55.05506	7.6
57.03423	1.5
57.07057	1.6
61.25368	1.1
67.05495	18.1
69.03420	83.8
69.06712	1.1
69.07041	6.3
70.03738	1.9
71.04973	1.6
71.08600	3.2
71.44489	1.2
73.02901	2.7
79.05464	8.6
80.40093	1.1
81.07043	23.6
83.04963	4.8
83.08599	4.3
85.02875	1.2
85.06548	1.2
91.05463	9.0
93.07031	10.4
95.04942	3.2
95.08592	24.0
97.02879	100.0
97.06511	6.5
97.10155	2.6
98.03213	1.3
99.08096	3.8
102.40483	1.1
105.07034	9.1
107.08571	5.4
109.10122	5.7
111.08024	1.8
112.63224	1.1
115.00748	1.2
115.03915	94.4
116.04229	1.7
119.08583	7.6
121.10124	3.2
123.08067	1.8
133.10107	4.6
135.11653	2.8
137.13220	1.4
139.11143	3.4
151.11154	1.5
161.09688	1.3
161.13252	9.9
171.11530	1.2
173.11659	1.5
179.14297	5.8
275.20062	3.4
293.21057	8.2
311.18381	3.0
311.21872	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01857	2.7
55.05501	9.9
57.03428	1.6
57.07062	2.7
65.03911	1.3
67.05157	1.3
67.05495	20.2
69.03420	80.7
69.06703	1.1
69.07059	15.3
69.71339	1.9
69.71719	1.5
70.03745	1.0
71.04991	2.4
71.08618	2.0
73.02925	1.5
79.05485	9.9
81.03400	1.0
81.07045	38.4
82.07375	1.3
83.04967	1.5
83.06094	3.8
83.08622	6.2
84.04477	5.0
85.02887	1.0
85.06530	5.6
91.05462	13.0
93.07038	11.8
95.04942	3.7
95.08595	32.8
97.02879	100.0
97.06525	3.0
97.10145	3.8
98.03221	1.3
98.22781	0.9
98.98428	1.6
99.08049	4.1
101.07125	2.5
105.07027	7.6
107.04907	1.0
107.08571	6.6
109.06506	2.5
109.10140	16.0
110.10536	1.4
111.08086	2.2
111.11700	2.1
113.09641	0.9
115.03916	86.0
116.04269	1.4
117.07008	1.3
119.04944	2.3
119.08554	10.2
121.10108	5.3
123.08059	1.7
123.11681	3.2
125.09588	0.8
125.13304	0.8
128.06209	1.3
129.06650	6.4
131.04970	1.1
133.04967	1.5
133.10143	4.3
135.04396	10.4
135.11687	3.3
137.05997	6.3
137.09615	3.3
137.13220	3.4
147.08005	1.4
147.56792	0.8
149.05988	6.1
149.13252	1.7
151.07507	1.0
151.14801	1.5
157.06523	2.5
161.13225	8.7
164.35088	0.7
165.07022	0.9
165.09093	1.2
175.07501	1.6
178.07719	1.2
179.14281	4.6
181.06532	0.8
182.11763	0.8
184.97128	0.7
187.07544	1.9
189.09027	3.4
192.55890	0.7
193.10141	2.2
203.08612	1.0
207.08086	1.3
208.08766	1.2
219.08052	1.5
221.09625	2.8
247.07449	0.8
249.09196	1.1
250.06293	0.7
251.10649	3.1
265.08514	1.3
279.10071	3.6
282.08676	1.0
296.10474	1.0
296.68344	0.9
311.09332	0.6
311.12695	17.1
311.18433	3.9
311.21979	6.2
311.29398	6.2
312.12964	1.0
312.28986	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01868	7.7
55.05507	13.1
57.03424	8.8
57.07071	31.1
67.05496	21.8
69.03431	2.4
69.07047	12.9
70.12892	6.4
71.04980	5.3
72.84107	2.4
79.05478	20.0
80.94825	3.3
81.07035	23.2
83.04982	14.4
83.08598	10.0
91.05475	11.6
93.07035	22.3
95.04942	4.5
95.08596	20.1
97.06529	8.6
97.10150	11.5
102.46757	2.3
105.07011	7.0
107.04918	4.0
107.08569	16.0
109.02846	4.5
109.06498	7.5
109.10134	7.3
111.04425	18.8
111.08050	5.9
112.08658	2.5
117.07006	3.1
119.08562	10.4
121.10122	16.4
123.08068	4.3
125.05964	5.4
125.09593	9.5
127.53569	2.7
129.06946	2.9
131.08543	8.9
133.10106	6.5
135.04362	4.0
135.11668	4.2
139.11156	8.0
145.10089	7.4
147.07971	3.3
147.11691	4.3
149.09586	7.5
153.05411	17.6
158.03342	2.2
159.11644	4.0
160.70226	2.3
162.31129	2.3
163.11110	6.3
165.64539	2.2
173.13202	3.5
181.04924	5.0
181.12239	10.6
183.00323	2.5
185.13239	3.6
189.11230	5.2
191.10623	13.0
193.04932	4.7
193.68330	2.3
203.12685	7.0
209.11702	100.0
221.15234	3.2
237.11176	88.3
238.11580	3.2
255.12196	19.7
256.02924	3.1
275.20056	26.5
293.17740	4.0
293.21149	8.8
298.62735	2.5
306.52631	2.4
311.18597	6.0
311.25098	9.8
314.73346	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.93682	3.9
53.03934	6.4
55.01862	7.7
55.05505	38.5
57.03428	10.5
67.05497	87.4
69.03420	19.3
69.07059	31.1
69.54362	16.1
71.04993	5.2
79.05487	55.6
81.07043	80.0
83.04969	11.4
83.08619	18.7
91.05467	43.8
93.07034	66.9
95.04970	11.7
95.08591	61.3
95.71275	4.0
97.02884	12.4
97.06533	18.4
97.10186	20.1
97.50546	4.4
99.08058	5.8
105.07021	54.0
107.04951	6.0
107.08581	41.3
109.06528	12.3
109.10143	35.5
111.08054	7.5
115.03920	5.0
117.07024	17.1
119.08596	34.6
121.06495	4.4
121.10160	30.1
123.08057	12.2
123.11716	9.8
125.09633	16.7
131.08565	19.3
133.10104	34.9
135.08047	7.3
135.11711	11.5
137.05989	5.5
137.09576	6.4
139.11203	5.8
145.10109	21.5
147.08032	5.2
147.11626	20.7
149.09631	13.8
149.13206	6.4
157.10130	4.8
159.11696	13.7
163.11153	12.3
164.03352	4.9
171.11693	7.6
173.11743	9.9
173.13225	7.1
189.11235	9.5
195.13783	8.7
239.17966	4.8
257.18903	8.5
275.20035	100.0
279.10196	5.3
293.21100	19.4
294.07452	4.6
311.14810	9.1
324.37515	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03951	2.9
55.01869	30.7
55.05505	52.8
57.03421	5.7
57.07076	3.5
57.09047	2.5
59.04969	4.0
67.05498	42.5
69.03432	7.0
69.07056	26.7
71.04996	13.7
72.67963	2.2
79.05481	54.7
81.03439	5.8
81.07044	75.4
83.04971	40.0
83.08615	32.0
85.02945	3.1
85.06538	4.3
87.46232	2.2
91.05461	28.9
93.07032	35.0
95.04955	17.0
95.08601	31.7
97.06513	40.0
97.10155	39.8
98.23430	5.6
99.04465	2.8
99.08119	3.7
103.31871	2.6
105.07020	25.4
107.04925	5.0
107.08581	100.0
109.06503	9.7
109.10151	14.3
110.06017	17.0
111.04433	7.6
111.08074	8.4
113.05977	15.0
117.07001	9.2
119.06089	3.1
119.08568	15.1
121.06507	5.8
121.10130	15.5
123.08026	4.7
123.11714	5.6
125.05978	8.8
125.08701	3.6
125.09621	66.8
129.07010	3.2
131.08556	11.7
133.10095	12.5
135.08067	7.6
135.11668	13.8
137.09550	4.6
139.11180	4.8
145.10100	13.2
145.17842	2.6
147.11693	8.1
149.09619	12.4
153.09048	2.9
153.12730	12.8
159.11670	9.9
161.09570	3.0
161.13264	3.3
163.11180	10.8
167.10625	6.3
169.10092	4.3
173.13226	3.0
173.84496	3.2
177.12711	9.3
179.14377	2.2
181.12244	11.8
187.11128	6.5
189.11201	29.6
191.10573	2.9
193.12305	3.6
195.13760	3.5
205.12225	6.4
205.16080	2.4
206.05962	5.8
211.13382	3.7
213.14815	6.9
218.05951	13.5
223.13240	16.6
229.19473	3.5
236.06902	3.8
241.14365	2.9
251.08192	15.4
252.06476	9.8
257.18878	5.8
259.51712	2.5
275.20041	67.3
279.07571	20.6
293.21060	52.5
293.24344	3.3
311.10208	29.1
311.16196	5.3
311.21973	4.1
312.25101	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	311.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84529	5.5
55.01861	12.6
55.05502	42.8
57.03423	6.2
67.05496	100.0
69.03418	17.5
69.07058	39.6
79.05480	50.4
81.07049	82.9
83.04971	15.1
83.08614	29.5
85.06528	11.6
91.05471	37.5
93.07024	45.2
95.04947	15.7
95.08588	59.9
97.02885	7.1
97.06509	16.3
97.10178	30.5
99.08059	7.4
103.05400	6.2
104.14735	5.4
105.07026	38.8
107.05006	8.9
107.08607	40.3
109.06516	19.1
109.10137	56.7
111.08058	7.2
112.49710	5.2
115.03928	16.0
117.07021	15.3
119.08608	31.8
121.06499	7.8
121.10139	20.7
122.26991	5.4
123.08050	14.5
123.11719	9.3
125.09626	27.5
131.08565	20.5
133.10097	34.2
135.11676	13.3
137.05995	9.0
137.09592	16.6
139.11140	9.7
143.08522	5.8
143.39487	6.2
145.10138	18.7
147.11673	21.0
149.09615	15.7
156.11452	5.5
159.11696	15.4
161.13268	7.5
165.23959	5.7
169.10066	5.6
173.11720	17.1
173.13110	5.8
177.12679	6.9
189.11241	16.5
239.18015	10.9
247.20726	6.3
257.19073	9.0
275.20044	91.2
293.21143	19.8
311.12427	8.1
311.15030	9.3
311.18262	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	311.2212
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.93292	7.5
55.01857	27.6
55.05498	24.8
57.07064	98.7
67.05493	56.6
69.07056	19.8
69.96165	24.8
70.06609	7.8
72.04492	8.2
79.05477	22.6
81.03409	10.9
81.07051	43.2
83.04954	12.5
91.05472	23.0
93.07024	35.9
93.92691	7.6
95.04963	15.1
95.08575	39.8
98.23315	9.1
100.07584	11.8
102.09165	9.0
105.07020	17.4
107.04918	10.3
107.08551	18.3
109.10130	21.6
111.04432	16.6
116.05314	22.1
119.08562	9.5
121.06592	6.9
121.10133	23.9
123.11560	8.7
125.09613	25.5
131.08534	11.0
133.10081	10.0
135.04395	15.6
135.08032	8.0
135.11667	9.7
151.11143	18.8
153.05434	24.4
154.59721	8.3
156.07373	8.2
156.13876	10.1
161.09607	9.7
163.11150	11.4
182.68295	7.5
191.10646	9.7
201.16475	10.2
209.11693	100.0
219.17387	7.6
237.11200	90.6
255.12218	18.9
271.78040	8.6
275.20068	18.1
279.84528	8.3
293.20941	16.5
311.17563	73.7
311.25571	11.7
312.32605	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
52.15297	1.3
53.03944	1.7
55.01871	9.8
55.05506	14.0
57.03431	3.0
57.07066	8.0
59.85493	1.1
62.91972	1.2
64.16927	1.1
67.05500	11.8
69.07058	11.3
71.08627	2.9
79.05493	8.1
81.03430	2.5
81.07039	12.6
83.04993	3.3
83.08607	6.6
91.05468	9.2
93.07021	10.4
95.04967	5.0
95.08585	8.6
97.06528	2.4
97.10178	3.9
105.04523	2.3
105.07045	4.7
107.04966	2.7
107.08598	4.4
109.06493	2.5
109.10164	5.7
111.04438	3.1
111.08086	1.4
115.97605	1.2
117.06993	3.3
119.08575	4.4
121.05556	1.1
121.10162	4.8
123.08082	2.5
123.11719	2.2
125.05986	3.4
125.09620	8.0
133.10155	2.7
135.04405	100.0
135.05440	4.3
135.08026	2.1
135.11710	3.2
135.76791	1.2
137.09607	4.6
139.11140	1.5
142.93898	1.7
145.10127	2.3
149.09631	1.2
149.13249	1.9
151.11206	4.1
153.05417	1.9
159.11613	1.2
161.09601	43.7
163.11212	1.5
167.10680	1.6
173.09633	1.3
177.12766	3.1
178.26073	1.2
179.17834	1.2
181.05003	1.6
181.12251	2.0
191.10674	3.2
195.13855	3.5
209.11681	17.2
237.11171	13.8
247.20473	2.2
255.12303	4.0
257.19022	2.6
275.20129	5.7
293.21045	5.9
311.12741	2.7
311.16296	1.8
311.25827	6.7
312.32498	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	311.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.2
55.05504	16.9
57.03426	6.6
57.07066	9.9
67.05491	45.5
69.07067	58.6
71.35855	6.9
79.05473	31.2
81.07035	53.3
83.08620	15.8
91.05474	48.3
93.07032	100.0
95.04956	79.7
95.08594	98.2
97.06534	25.6
105.07026	79.4
105.21681	4.9
107.08588	49.6
109.06520	10.3
109.10160	41.6
117.07009	19.9
119.08568	76.8
121.06533	25.5
121.10129	44.5
123.08080	23.8
123.11675	14.1
123.75105	4.6
129.06992	8.2
130.07787	7.0
131.08569	20.5
133.10123	50.4
135.04398	9.3
135.08064	16.6
135.11667	20.5
137.09605	9.8
141.07047	5.4
142.07797	10.2
143.08545	16.3
144.09331	8.8
145.10086	44.9
147.11684	20.3
149.09604	7.1
156.09337	7.0
157.10139	28.7
159.11688	40.3
161.09607	9.2
161.13213	10.5
163.11154	7.9
169.10074	10.7
171.11679	21.1
173.13269	13.1
175.14807	7.9
177.16399	12.8
181.10136	8.3
182.10870	5.2
183.11751	6.2
185.13177	14.8
187.14876	8.4
189.16412	16.3
197.13028	6.9
201.16425	7.0
209.11722	12.8
211.14836	10.8
223.14944	8.0
227.17867	6.1
237.11293	8.1
250.68411	5.7
260.07013	5.0
267.21005	5.2
272.45660	6.3
311.23560	40.8
312.36304	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	311.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01900	0.7
53.03928	2.1
55.01841	1.6
55.05500	68.4
57.03427	28.4
57.07064	33.3
58.53299	0.8
59.04977	0.7
63.24529	0.8
66.79961	0.7
67.05489	10.3
69.07053	70.5
70.07362	0.8
70.69958	1.5
71.08615	17.0
73.02893	1.2
73.06531	1.1
74.59459	0.8
79.05476	7.7
81.07041	12.5
83.04961	2.1
83.08605	56.4
85.06536	0.9
85.10165	7.0
91.05461	1.7
93.07024	9.0
95.08592	8.9
97.06517	6.7
97.10151	37.8
98.10476	1.1
103.31071	0.8
107.08588	6.2
109.10134	4.6
111.04425	1.1
111.08060	2.6
111.10981	1.1
111.11692	12.1
119.08519	1.0
121.10120	6.1
123.11681	1.7
125.09625	1.9
125.13223	3.1
135.04382	2.8
135.11659	6.3
139.11200	1.7
149.13252	2.9
153.05463	1.1
153.12862	0.9
161.09561	1.6
163.14781	2.1
181.12195	0.7
209.11673	4.7
219.20953	1.3
237.11249	4.4
311.25729	100.0
312.26031	5.5
312.32712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03927	2.3
55.01851	1.5
55.05502	73.5
56.05839	1.1
57.03145	1.6
57.03429	33.5
57.07066	37.8
59.04971	1.0
67.05497	9.7
69.03416	1.0
69.07056	82.1
70.07388	2.1
71.08617	20.2
73.02872	2.0
73.06534	1.4
73.82503	1.0
79.05477	5.4
81.07039	12.9
83.04969	1.4
83.08607	68.6
84.08953	1.1
85.10169	8.9
87.42031	0.9
93.07032	9.2
95.08589	11.2
97.06529	6.2
97.10150	43.5
98.22689	2.5
107.07932	1.0
107.08530	4.9
109.10143	3.9
111.08047	3.2
111.11709	15.4
121.10124	9.5
123.11694	2.2
125.09558	2.6
125.13229	2.1
135.04414	1.1
135.11671	6.1
139.11179	1.7
149.13245	3.9
153.12701	2.0
154.07921	0.9
163.14810	2.0
195.44798	0.9
209.11658	1.7
219.21046	1.9
225.78967	1.0
237.22134	1.2
267.32111	1.0
304.82520	1.2
311.25742	100.0
312.26044	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	311.2577
Annotation	AS 183
Peak:m/z	Relative Intensity
53.03925	3.2
53.99169	2.8
55.05505	76.7
57.03432	32.2
57.06813	3.7
57.07067	44.0
67.05481	17.7
67.75135	2.6
69.07059	87.0
69.73958	5.0
71.08618	18.8
79.05475	9.7
81.07055	20.8
83.04960	5.5
83.08121	3.1
83.08608	63.7
85.10158	9.7
93.07024	10.9
95.08601	15.2
97.06512	7.7
97.10153	52.7
98.23475	3.6
105.07021	3.7
107.08581	11.8
109.10124	6.4
111.04421	6.9
111.08035	5.4
111.11700	14.5
119.08570	4.1
121.10124	12.1
123.11685	6.9
125.09595	2.2
131.08493	2.5
132.91829	2.2
135.04375	10.9
135.11674	9.8
137.13165	2.3
139.11046	2.2
148.52806	2.1
149.13203	7.0
153.05464	6.3
153.12579	2.6
154.30827	2.4
156.93117	2.3
161.09552	4.9
181.04977	2.7
209.11755	20.4
219.21025	2.5
237.11105	14.4
255.12180	3.2
311.25708	100.0
312.35980	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	311.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16965	2.6
55.01862	28.7
55.05506	32.0
56.29345	2.5
57.03424	7.7
57.07066	13.5
60.62098	2.4
65.76861	2.6
66.32378	3.2
67.05494	55.6
69.07056	56.4
69.19073	6.8
69.19486	10.6
71.08620	100.0
78.10815	2.8
79.05482	35.1
81.07043	64.3
83.04971	10.1
83.08618	31.0
85.06556	4.5
91.05451	21.0
93.07027	29.6
95.04937	4.0
95.08597	51.6
97.06512	10.8
97.10146	11.1
98.23510	5.5
98.29874	2.7
99.08080	68.3
104.43300	2.7
105.07023	12.1
107.08575	30.5
109.10117	23.6
109.13036	2.9
111.08055	7.9
115.24187	2.6
117.07029	4.4
119.08547	10.8
121.10136	22.5
123.11667	9.2
123.94979	3.3
125.09611	6.9
127.11188	3.7
129.73209	2.7
131.08536	12.5
133.10098	4.7
135.04391	7.6
135.05447	2.9
135.07974	4.2
135.11659	19.4
137.09581	4.0
137.13197	9.5
139.11169	3.5
140.06622	2.7
141.12756	3.9
145.10066	10.0
147.11662	44.7
149.09604	7.1
149.13216	6.6
151.11124	4.4
151.14795	5.5
153.12753	30.8
159.11717	5.7
161.09543	6.1
161.13257	6.0
163.11163	8.7
163.14792	9.4
165.12723	8.1
167.10735	4.1
173.13237	6.0
181.12204	2.8
181.15808	13.3
191.18048	3.9
209.11659	4.1
233.22556	5.4
237.11168	5.7
243.21094	19.0
251.23610	7.5
261.22125	22.9
279.23154	69.6
280.23489	4.0
311.25726	4.6
312.36020	4.6
327.26309	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	312.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74198	0.4
55.01857	0.5
60.04512	0.5
61.02888	0.4
61.40226	0.3
65.18579	0.3
69.03416	1.3
70.06572	1.0
71.43945	0.3
72.08109	0.5
73.02885	1.1
79.05482	0.8
81.03409	0.6
84.04485	1.5
85.02901	3.6
91.05427	0.4
95.04967	0.6
97.02875	1.4
101.68697	0.3
102.05515	0.7
105.03420	0.4
105.07018	0.4
106.06515	0.3
106.87913	0.4
107.04945	1.3
107.08572	0.4
109.02872	0.6
115.03896	4.3
121.06522	0.5
122.05994	3.5
123.04443	0.7
127.03905	0.9
130.04993	0.8
131.04904	0.5
132.04451	1.6
133.02832	2.8
133.04915	1.6
134.05927	0.8
137.05968	1.2
138.06265	0.9
138.15605	0.4
141.06952	0.6
144.06529	0.4
145.04922	1.3
148.03941	0.9
148.06023	1.7
150.05469	2.9
152.06155	1.0
153.06833	0.8
154.07327	0.8
155.08627	0.5
160.05144	0.4
162.05478	1.1
163.03925	0.4
163.06096	1.6
164.07062	2.2
165.05475	0.8
165.06932	5.3
167.08580	0.7
169.06464	0.6
176.06143	1.0
177.06886	0.6
181.04929	0.9
181.06398	0.8
182.06888	0.3
193.06477	1.1
194.07263	0.4
195.08002	0.5
196.07407	0.7
197.05988	0.9
197.07948	0.7
205.06496	1.0
207.06586	0.4
208.05168	1.0
208.07501	0.7
209.05992	0.8
209.08054	1.1
210.09010	1.1
211.07474	1.1
220.07524	2.7
221.05965	6.0
221.08142	0.8
222.06721	0.3
223.07510	3.7
224.06815	1.2
225.05420	0.5
225.07568	0.9
233.05817	0.5
235.06235	1.4
235.08502	1.1
236.06970	4.0
237.05408	1.5
237.07706	1.0
238.08585	1.4
239.07007	1.6
249.05426	13.3
250.06108	0.5
250.08600	0.6
251.06999	2.6
252.06117	1.8
252.08493	0.6
252.10728	0.6
253.04868	0.5
253.07191	2.4
253.09506	0.4
254.05681	7.7
254.08009	0.7
263.08069	0.6
266.10297	0.6
267.06476	100.0
268.06796	4.4
268.09656	1.8
277.04962	8.9
278.05228	0.7
279.07544	0.4
280.08051	1.3
280.10620	0.6
294.07034	0.6
294.09845	0.7
295.05890	4.4
295.10858	0.5
296.09143	1.0
312.08200	8.1
312.13538	0.6
312.18134	0.8
313.11700	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	312.1075
Annotation	Holocalin
Peak:m/z	Relative Intensity
52.48770	0.5
53.03950	0.8
55.01888	0.7
57.03426	1.5
60.04514	0.7
61.02908	2.2
67.05491	0.7
69.03115	0.7
69.03429	8.1
70.02936	1.7
70.08513	0.9
70.08824	0.7
71.01334	0.5
71.04984	0.7
71.36405	0.5
72.04504	1.5
73.02911	1.1
81.03403	2.5
82.02917	1.8
84.04485	2.3
85.02403	1.1
85.02898	20.7
91.03936	1.2
95.04950	5.5
96.04482	1.0
97.02885	10.3
98.06059	0.7
99.04459	1.3
103.03941	1.6
109.02871	1.4
114.05563	0.8
115.03904	3.2
116.58961	0.5
122.06018	39.8
123.04420	37.6
123.06308	1.4
123.64168	0.5
124.03951	5.0
124.04765	0.8
126.05473	1.8
127.03904	4.4
133.04993	1.0
144.06538	5.7
145.04980	3.9
150.05487	100.0
151.03891	3.3
151.05815	2.3
161.26814	0.5
162.05490	1.0
162.07614	1.6
164.07066	0.7
168.06584	1.2
189.05431	0.7
192.06535	39.1
193.06914	2.0
209.50470	0.6
221.73398	0.6
233.21161	0.6
234.07562	4.9
238.04614	0.5
294.09631	3.1
312.10742	28.8
313.11163	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	312.129
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05619	0.7
69.03416	1.3
69.74634	0.4
70.06583	2.2
73.02898	0.8
78.61292	0.4
81.20115	0.6
85.02887	1.5
92.05009	0.6
94.06546	2.6
97.02874	2.9
110.06013	1.1
115.03909	9.4
116.07085	0.7
133.04950	7.1
136.76984	0.4
138.05476	100.0
139.05782	1.5
146.66331	0.4
175.11871	3.6
225.51357	0.5
282.60611	0.4
294.53555	0.4
301.11838	0.4
303.27954	0.4
326.63651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	8.3
57.03442	6.5
61.02929	9.4
65.28950	4.2
69.03412	28.3
69.07059	12.0
70.65805	3.7
71.04993	10.4
72.08163	4.3
73.02898	8.3
79.05476	4.8
81.03417	11.0
84.96520	3.3
85.02404	7.3
85.02897	100.0
87.04444	6.3
87.08105	18.5
89.11820	3.5
91.03960	9.6
97.02888	31.9
99.04423	5.0
109.02858	4.5
115.03905	43.0
122.05260	4.1
122.06018	25.8
123.04465	4.8
127.03918	27.7
127.04710	4.4
132.04466	8.3
133.04955	6.6
134.05956	4.1
145.04944	44.5
148.03909	9.9
150.05472	30.6
151.03902	5.2
155.08592	4.0
157.06447	5.5
162.05406	4.3
163.03938	4.3
163.06129	13.4
164.07060	18.7
165.06967	14.4
181.04926	14.0
181.06404	8.2
192.06531	5.1
193.06532	5.1
208.07542	17.6
209.08371	12.7
210.09143	12.0
211.07462	7.6
220.07587	21.8
221.06006	5.6
223.04234	3.4
224.06952	5.7
225.07776	5.8
235.06180	10.6
235.08507	6.1
236.07059	47.1
237.07767	10.0
238.08607	15.8
239.07005	16.9
249.05540	9.2
250.06128	5.4
250.08582	8.8
252.06262	4.0
253.07285	9.6
253.09720	8.2
264.06451	7.2
267.06488	59.5
268.09570	19.0
280.11884	4.4
296.08994	9.8
312.10593	8.6
313.11847	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	312.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31947	1.7
51.69357	1.7
53.03938	2.7
53.60682	1.8
55.01853	5.7
57.03419	6.9
61.02921	10.4
69.03417	21.9
69.07065	11.0
70.06566	1.9
71.04970	2.6
73.02917	13.2
73.54979	1.6
77.19101	1.6
79.05471	3.2
81.03410	8.7
85.02892	100.0
87.04449	3.9
87.08099	15.8
91.03927	6.3
91.05463	2.2
95.04945	4.8
96.04548	1.5
97.02872	28.2
99.04435	4.8
105.03397	2.6
107.04939	6.7
108.04489	1.8
109.02866	8.4
115.03918	33.9
115.07513	2.7
122.06004	20.1
123.04408	6.9
127.03899	25.1
129.07018	1.9
132.04417	9.0
133.02843	1.9
133.04932	11.0
133.08600	2.2
135.07948	1.8
141.39305	1.6
144.06529	2.4
145.04947	38.5
148.03954	10.3
149.04619	2.5
150.04366	3.4
150.05481	36.7
163.03847	2.9
163.06111	14.6
164.07077	16.8
165.06952	5.3
175.06242	2.4
181.06499	3.6
183.06732	1.9
192.06497	6.2
192.08022	2.7
195.06635	1.9
196.07590	4.1
197.07974	2.3
208.07545	8.5
209.08263	3.9
210.05791	2.9
210.09167	8.2
220.07549	16.2
221.06059	2.6
221.08231	2.7
223.07564	3.3
224.06871	4.1
225.07733	6.2
231.05013	2.1
235.06198	12.2
235.08641	6.3
236.06996	28.7
237.07764	5.7
238.08621	10.5
239.07019	2.9
249.05498	4.7
250.08571	5.9
252.06483	4.5
252.10265	3.0
253.07266	10.8
253.09596	3.5
254.08128	2.7
263.08105	2.7
264.06494	3.1
267.06439	28.9
268.09726	13.3
281.09390	2.3
282.10046	2.4
295.10809	3.1
296.09238	9.0
312.10593	6.5
313.11765	26.8
327.44897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
53.27460	0.5
55.05497	2.1
57.07062	1.9
67.05495	6.8
69.07056	23.3
69.83228	1.1
69.83588	1.0
71.08636	0.8
74.32477	0.5
76.99516	0.4
79.05482	8.3
81.07045	100.0
82.07386	1.5
84.46727	0.5
93.07043	1.0
95.04942	0.8
95.08594	27.6
96.08915	0.9
109.10155	1.7
111.11747	0.9
115.05457	1.6
118.06518	0.8
123.11693	0.8
130.06502	7.0
132.08055	3.1
135.04381	0.6
137.13217	12.1
142.06499	35.2
143.07280	0.9
144.08035	3.6
146.05974	2.0
160.07553	53.0
161.07950	0.9
170.09526	0.5
176.07039	3.0
182.09680	1.5
188.07037	99.8
189.07422	2.8
191.03322	2.7
202.08549	0.7
205.04927	1.0
228.10176	1.4
230.11667	2.3
256.13220	0.9
266.18994	2.0
312.19513	28.7
312.32480	3.5
312.36145	1.8
313.19800	1.6
313.27258	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
56.23038	0.6
57.03424	2.7
57.06818	0.7
57.07070	12.9
58.06599	2.7
60.08158	22.2
67.05483	2.2
69.07053	2.4
71.08625	7.5
81.07053	2.8
83.08594	2.1
85.10169	3.4
93.07002	0.8
95.08599	2.3
97.10178	0.8
107.19588	0.5
109.10146	1.4
120.12928	0.6
123.11745	0.9
135.04381	1.1
159.83224	0.6
160.11896	0.6
167.20042	0.5
191.03300	3.2
203.13603	0.7
205.04965	1.2
296.99628	0.7
312.12051	0.8
312.36176	100.0
313.27338	9.5
313.36539	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	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01867	8.9
55.05486	0.3
65.03934	5.6
66.49939	0.2
67.05499	2.3
69.03425	3.9
69.14848	1.7
73.02929	0.3
77.03898	0.3
79.05489	1.3
81.03407	0.6
81.07042	1.2
82.04192	2.0
83.04970	0.3
85.02895	3.8
85.79241	0.2
87.00833	0.4
87.04462	0.9
91.05469	6.5
93.03400	1.3
93.07022	0.9
95.04958	3.6
95.08575	0.5
97.02880	6.8
97.06532	1.7
98.23522	0.5
98.97570	0.4
101.18334	0.3
103.05502	0.6
105.04505	0.6
105.07021	0.7
107.04942	1.5
107.08565	1.3
108.02096	1.2
109.06487	1.1
110.03653	2.7
111.04477	1.5
114.09183	0.3
115.03917	4.6
115.05402	0.7
116.98525	0.3
119.04930	4.3
120.08109	2.8
121.02858	0.7
121.06533	0.6
121.10150	0.3
122.03635	1.0
123.00776	0.3
123.04449	1.6
125.02347	0.4
125.05968	1.6
128.06198	1.4
129.06990	4.2
131.04884	0.7
133.06390	0.4
134.05997	0.3
135.04373	0.4
135.08046	1.8
135.11655	0.4
136.05180	0.8
136.07555	0.3
137.02338	0.5
137.05966	13.9
138.03159	1.4
138.06335	0.4
139.03874	0.3
140.04663	5.2
142.02556	0.8
145.06419	0.5
147.07996	0.3
148.03816	0.3
151.03928	2.5
151.07526	17.7
152.07918	0.3
153.05453	3.0
153.06674	0.4
155.07014	2.0
157.06500	2.7
161.05951	0.8
161.09540	0.4
163.03920	0.7
163.07558	2.1
165.06981	0.7
169.15498	0.3
171.06514	6.5
171.07938	0.4
174.06738	2.2
175.07545	1.2
177.09071	0.3
178.07732	0.8
178.15590	0.3
179.08618	0.3
181.04936	100.0
182.05278	3.5
189.09088	10.1
189.10815	0.6
190.09457	0.5
193.10118	0.9
197.05940	0.4
199.06068	1.4
202.07831	0.3
203.08531	0.5
205.06445	0.7
207.08012	0.3
209.05992	0.4
210.06764	0.4
221.09589	1.7
223.07472	1.3
227.06830	0.3
233.05853	0.4
237.09169	0.3
238.09927	0.4
249.05431	0.4
249.09216	1.3
251.06905	0.8
253.08559	0.6
253.12201	2.2
263.10669	0.3
269.08139	1.2
281.11530	1.5
284.10162	0.4
295.05737	0.5
313.09119	10.7
313.14301	5.6
314.09604	0.4
314.14581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20048	1.5
79.05492	9.4
81.03422	1.6
85.02888	1.9
93.15720	1.4
94.06534	4.2
95.04951	2.1
95.25165	1.3
104.04973	3.5
105.03368	4.0
106.06537	2.9
107.04956	9.6
120.04471	2.2
122.06013	69.9
122.65160	1.8
123.06298	1.6
132.04442	34.5
133.05211	2.3
134.05951	2.5
136.07571	5.5
146.05972	2.0
148.03914	32.8
149.04741	9.9
150.05490	54.9
153.06912	2.5
161.04651	2.0
162.05492	17.2
163.06273	25.9
163.07535	2.8
164.07054	69.6
165.07053	3.4
167.08580	1.8
175.06256	4.8
176.07024	2.0
177.06609	2.4
177.74223	1.6
180.08012	3.5
181.06439	4.0
183.06741	2.4
184.07562	2.1
188.06960	2.5
190.05005	2.5
190.06563	3.1
190.08617	5.0
191.07292	3.4
196.07553	12.5
197.08339	5.0
198.09120	1.7
207.06747	5.2
208.07576	25.6
209.08365	14.2
210.09186	21.1
211.06059	1.9
212.07008	2.4
213.86531	1.6
215.90375	1.5
219.06725	3.6
220.07559	67.4
221.08434	9.5
224.07069	16.0
225.07816	18.7
225.09952	2.7
226.08585	5.6
235.06261	34.9
235.08681	16.5
236.07034	100.0
237.07809	26.0
238.05098	2.5
238.08629	40.0
239.09106	2.0
240.06580	1.7
240.10133	3.9
250.08600	23.0
252.06523	13.9
252.10269	15.4
253.07367	38.3
253.09772	7.3
254.08006	10.5
263.05682	3.2
263.08148	8.0
264.06525	7.8
264.08917	6.1
265.07123	4.0
267.11362	3.9
268.07184	2.0
268.09653	45.7
269.09915	2.3
278.08087	2.3
280.08414	2.9
281.06998	2.0
281.09219	12.3
282.09946	10.7
283.10715	2.0
295.10791	10.5
296.09106	21.4
313.11777	79.4
314.11874	3.0
325.08014	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68690	0.4
55.05464	0.6
56.96551	0.5
64.48082	0.4
67.05476	0.7
69.07021	0.9
69.67599	1.3
69.67975	0.8
71.08576	2.0
79.05447	0.8
81.03387	0.6
81.07042	4.5
82.95863	0.5
83.04956	0.9
85.06499	0.9
88.11214	0.8
91.05432	0.6
93.06984	0.5
95.08560	1.0
98.09679	2.7
98.22730	0.8
98.97557	0.9
99.08074	1.0
100.07604	0.5
105.07002	0.6
106.06507	0.5
107.04906	0.5
107.08536	0.5
114.94319	0.4
116.10667	1.5
116.98552	1.0
119.08566	0.5
121.05173	0.5
122.05940	1.2
134.05959	1.0
148.03903	8.5
149.04643	1.4
151.07466	0.7
160.06233	0.9
161.07043	1.0
170.15353	6.4
180.06635	2.6
180.07988	0.8
182.08086	0.5
189.09224	0.6
198.09000	0.5
198.14854	13.5
207.06804	0.8
208.07538	6.0
218.05960	0.7
225.10132	0.5
226.08476	0.5
226.14331	5.3
235.06364	0.6
235.08565	1.1
236.07016	37.0
237.07420	1.3
253.09674	100.0
254.07932	0.5
254.10109	3.9
286.10651	1.7
290.94693	0.6
313.11758	38.8
313.24768	2.1
314.12064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22371	0.8
55.01854	2.0
61.19784	0.7
65.03924	1.5
67.05493	3.2
69.03419	82.9
69.07052	1.4
70.03793	0.7
73.02909	1.9
76.26187	0.8
79.05477	10.4
81.03391	1.3
81.07040	4.4
83.04971	1.8
85.02914	1.5
91.05460	17.4
93.07021	2.9
95.04947	2.8
95.08588	2.9
97.02877	100.0
97.06518	1.9
98.03214	1.5
98.97579	1.0
105.07008	7.5
107.04948	4.6
107.08578	29.1
108.08923	0.9
109.06491	5.2
109.10158	4.3
109.10812	0.8
115.03913	78.3
115.05306	6.9
116.98612	1.0
117.07008	9.1
119.04917	2.9
119.06069	1.5
119.08598	0.8
121.06480	1.5
121.10149	1.0
123.04402	1.3
123.11705	1.7
125.09607	3.2
128.06192	1.1
129.06967	2.5
131.04868	1.3
133.06470	1.0
135.04416	2.1
135.08031	62.0
136.08383	1.5
137.05945	8.7
147.04373	0.9
151.03900	9.3
151.04996	1.4
151.07523	13.1
153.09087	3.4
157.06476	2.1
158.10857	0.7
161.05884	0.8
161.09558	1.0
162.03087	2.1
163.03900	3.1
163.07515	39.4
165.06927	1.1
174.06786	1.4
175.03830	0.9
175.07387	0.9
178.07816	1.2
181.08574	15.7
189.09070	7.9
190.02606	3.9
191.03366	16.9
193.10196	0.7
195.60197	0.7
205.04936	14.8
206.07175	0.8
210.06686	0.8
219.06493	2.4
221.09648	1.7
223.07625	0.9
249.09109	1.6
253.08659	1.9
253.12195	1.8
255.06479	0.9
267.12299	3.0
271.09860	0.8
281.08014	1.5
281.11627	1.5
281.41602	0.7
285.11188	1.4
290.94836	0.8
295.11929	0.9
313.13068	13.8
314.13406	1.0
315.24179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	2.5
55.05498	2.7
57.03431	5.1
60.08383	2.0
61.02916	8.8
67.05496	3.4
69.03419	19.8
69.07030	3.3
69.22588	8.3
69.22995	4.7
71.95004	2.0
73.02906	5.8
79.05509	4.7
81.03411	10.5
85.02895	100.0
86.03188	2.3
87.04437	3.7
91.03954	7.8
91.05473	8.6
93.07029	2.6
95.04990	3.4
95.09146	2.2
97.02883	33.3
99.04452	6.3
100.11237	6.2
106.06546	6.4
107.04949	14.5
109.02878	8.7
111.04400	2.2
119.04922	2.9
122.06062	10.1
127.03915	29.0
129.06982	3.1
132.04411	3.8
133.02937	2.4
134.06012	30.0
137.05963	10.1
145.04938	50.3
148.03879	3.9
150.05452	5.2
151.07492	11.9
152.07173	2.6
162.05472	5.9
163.03925	4.6
163.06097	10.8
164.07042	14.5
165.07040	4.0
176.07086	10.2
177.07080	2.9
181.04944	2.9
181.06529	2.3
189.09122	6.1
197.06023	4.4
205.06451	6.2
208.07359	3.3
220.07567	5.8
221.06010	5.3
223.07558	10.1
225.05495	4.1
225.07733	3.5
235.06288	3.0
236.07021	11.4
237.07671	3.0
249.05397	4.9
250.05783	5.1
250.08447	3.6
251.07039	9.0
255.05969	2.4
267.06494	6.4
268.06757	14.7
268.09448	3.9
269.07916	4.2
271.06009	2.2
295.05957	9.2
295.10724	2.7
296.11465	4.3
313.11551	11.7
313.24808	8.0
332.10791	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	313.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	2.0
68.99783	0.6
69.03410	0.5
79.05473	1.4
81.07047	2.3
83.01314	1.3
83.32516	0.4
87.07542	0.5
91.05474	2.0
93.07044	2.8
95.04942	1.1
95.08597	7.4
98.22698	1.9
103.05444	0.7
105.04505	0.5
106.04164	0.6
107.04919	0.9
107.08572	1.7
109.10146	4.0
119.04919	0.6
121.06491	7.0
121.10143	1.0
123.11687	0.9
131.04910	3.0
134.03596	1.3
135.04390	1.7
147.04350	1.0
149.05928	2.2
153.29156	0.4
159.04362	1.1
162.01826	0.9
162.03094	10.8
163.03923	2.3
177.05432	2.5
190.02591	19.4
191.03363	12.7
192.03819	0.6
193.04892	1.2
205.04936	100.0
206.05278	3.8
207.06516	2.5
217.04982	0.5
219.06485	7.9
231.06461	0.5
233.08034	2.8
257.08011	1.0
271.09396	0.4
313.14276	11.7
313.17749	0.9
314.14542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01861	0.3
67.05496	3.8
69.96365	0.6
69.96702	0.4
72.86621	0.3
76.77041	0.3
77.03927	0.4
79.01833	1.1
79.05485	4.3
81.07050	4.5
83.01327	3.0
89.03921	0.5
91.05469	0.5
93.07021	1.0
95.04961	1.1
95.08601	4.5
98.23402	0.4
105.04470	0.3
105.07038	0.5
107.04942	7.8
107.08583	1.0
109.10141	12.2
121.10120	3.1
123.11690	8.1
131.04915	1.1
135.04398	13.5
135.11679	1.4
137.02357	0.4
145.02817	0.3
145.06448	0.5
146.37505	0.3
147.04341	0.4
149.02374	0.3
149.04083	0.3
149.05937	0.6
159.04362	0.3
163.03885	19.6
164.04207	0.8
165.06972	0.3
177.05431	0.4
191.03365	100.0
192.03720	3.2
193.04984	1.0
205.04944	8.0
217.04895	1.0
219.06493	3.3
231.06508	0.8
232.06079	0.4
233.08105	2.0
243.06555	0.8
245.08086	0.7
257.08081	4.2
264.56067	0.3
271.09634	2.0
313.14279	16.8
314.14676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01867	0.4
55.05497	0.4
56.19844	0.3
57.30064	0.3
66.90382	0.3
67.05491	3.7
69.07040	0.6
69.21179	0.3
69.59279	1.4
77.03898	0.4
78.93185	0.3
79.01846	0.5
79.05476	3.6
81.03372	0.4
81.07050	4.5
83.01344	2.2
83.45208	0.3
90.85341	0.3
91.05440	1.7
93.07015	1.4
95.04967	0.5
95.08022	0.5
95.08597	8.5
98.22614	0.4
98.97541	0.5
103.05437	0.5
105.07008	0.7
107.04932	5.6
107.08580	1.0
109.02890	0.4
109.10136	9.6
115.42056	0.3
117.03374	0.4
119.04867	0.5
121.06511	2.4
121.10128	2.7
123.11686	8.3
131.04909	1.9
135.04398	12.2
135.11693	0.7
136.04680	0.4
137.02266	0.5
137.05893	0.6
145.06508	0.4
147.04408	0.6
149.05959	1.1
151.03851	0.6
151.07489	0.6
159.04362	1.0
162.03114	3.0
163.03876	15.6
164.04192	0.4
171.04401	0.4
175.03932	0.9
177.05423	1.5
189.05534	0.4
189.09132	0.3
190.02592	5.7
190.04205	0.7
191.03358	100.0
192.03690	3.1
193.04913	1.3
199.03885	0.7
203.03386	0.8
205.04929	33.2
206.05283	1.3
207.06410	0.4
215.03438	0.5
217.04959	1.7
219.06500	6.0
231.06566	0.9
233.08064	2.4
243.06406	0.5
257.08014	3.4
271.09610	1.7
313.10876	1.4
313.14258	29.6
314.14716	1.9
327.34140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Gancaonin V
Peak:m/z	Relative Intensity
51.02363	0.2
55.01862	0.7
55.05501	0.3
56.77407	0.2
57.07078	0.2
61.67632	0.2
65.03948	0.4
67.05499	3.6
67.88862	0.2
69.07056	0.6
69.27229	1.0
77.03922	0.6
79.01835	0.5
79.05483	3.6
81.03373	0.2
81.07051	5.4
83.01330	2.0
89.03913	0.4
91.05482	0.9
93.07031	1.2
95.04971	1.0
95.08594	4.9
95.79126	0.2
103.05461	0.4
105.04488	0.4
105.07000	0.7
106.14883	0.2
107.04239	0.4
107.04949	5.4
107.08577	0.9
109.10147	9.7
110.10494	0.3
111.99194	0.2
117.03323	0.2
117.06952	0.2
119.04871	0.2
121.02862	0.2
121.06499	0.4
121.10141	2.7
122.10976	0.2
123.11697	6.7
131.04915	1.2
133.06456	0.2
135.04402	11.3
135.11665	0.8
136.04710	0.3
137.02295	0.5
137.05885	0.3
143.04874	0.3
145.02850	0.4
145.06467	0.4
146.73859	0.2
147.04366	0.7
149.02292	0.2
149.05945	0.5
151.03891	0.2
155.08485	0.3
159.04413	0.4
159.71191	0.2
162.03099	0.3
163.03886	15.4
164.04219	0.4
170.15335	0.4
171.04399	0.3
175.03880	0.8
177.05478	0.6
189.05421	0.3
190.02579	0.6
191.03368	100.0
192.03702	3.3
193.04984	1.0
198.14879	0.7
199.03885	0.6
203.03355	0.8
205.04939	10.1
206.05244	0.4
215.03409	0.5
217.04944	1.5
219.06500	4.0
226.14406	0.2
229.04880	0.2
229.08578	0.3
231.06462	1.1
232.06044	0.2
233.08046	2.1
243.06409	0.4
245.08055	0.7
257.08051	3.4
258.08517	0.3
271.09613	1.9
313.14273	33.2
314.14648	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.1
52.03160	0.1
53.03919	0.1
55.01854	0.2
55.05494	0.2
63.02356	0.1
63.32562	0.1
67.01827	0.1
67.05492	1.1
68.99787	0.7
69.03401	0.3
70.64592	0.1
77.03925	0.2
78.04694	0.2
79.01845	0.2
79.05473	0.8
81.07042	0.8
83.01328	1.4
83.98756	0.1
91.04934	0.1
91.05469	2.1
93.07033	2.0
95.04948	0.7
95.08009	0.2
95.08588	2.3
98.23087	0.1
103.05450	1.0
105.04480	0.2
105.07047	0.6
106.04151	0.4
107.04929	0.3
107.08575	1.4
109.06496	0.4
109.10138	2.5
116.98582	0.2
118.94330	0.1
119.04901	0.4
121.02823	0.4
121.06484	6.7
121.10110	0.9
122.06812	0.2
122.10475	0.1
131.04907	2.8
133.06441	0.2
134.03612	1.3
147.04396	0.8
149.02321	0.3
149.05949	3.0
149.13203	0.2
150.13551	0.2
159.04384	0.7
161.02299	0.3
161.05875	0.2
162.03091	12.7
163.03629	0.5
171.04416	0.1
175.03824	0.3
177.05447	2.7
178.05727	0.1
180.00652	0.1
181.26389	0.1
189.28659	0.1
190.02574	20.6
191.03171	1.3
191.07036	0.2
193.04881	0.6
199.03807	0.2
205.04924	100.0
206.05272	3.4
207.06473	1.1
213.05579	0.1
219.06482	4.1
229.04930	0.2
231.06541	0.2
233.08095	1.5
243.06436	0.2
246.07567	0.3
257.07983	0.6
267.21506	0.2
271.09641	1.3
272.09894	0.2
295.20932	0.4
313.14267	15.8
314.14554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
53.03930	0.6
55.01836	0.8
56.96552	0.5
65.03922	1.8
67.05466	1.3
69.03397	0.8
71.04969	0.6
79.05506	3.6
79.74871	0.5
81.03403	1.4
81.07053	2.6
86.47013	0.6
89.03918	0.6
91.05473	38.1
92.05754	0.5
93.07012	0.9
94.04178	2.0
95.04958	8.5
95.08587	1.1
97.10124	0.5
98.97572	0.9
103.05444	2.2
105.04491	0.8
105.07017	1.9
107.04931	4.5
107.08601	0.8
109.06484	2.4
111.04391	0.7
115.05414	1.8
117.06984	0.9
119.04928	23.3
120.08128	3.0
121.02872	0.9
121.06461	1.4
122.03628	5.9
123.04438	5.4
123.08069	0.9
128.06200	8.6
129.06990	22.0
131.04919	2.7
131.08533	1.6
133.02835	0.8
133.06482	1.3
135.04411	2.1
135.08008	1.6
136.05168	4.9
137.05963	68.3
138.06290	2.1
143.04903	0.8
145.02870	1.0
145.06473	3.2
146.07271	1.5
147.08031	1.2
149.05971	1.5
151.03943	7.2
151.07526	100.0
152.07916	3.3
155.06049	1.3
156.01419	0.5
156.05670	1.3
157.06485	14.2
158.07208	0.8
159.04419	0.6
161.05971	1.9
161.09604	2.0
163.03886	4.7
163.07544	3.9
165.06984	2.2
167.08490	0.7
169.06429	0.8
174.06740	12.4
175.07524	6.3
176.08269	0.8
177.09068	1.3
178.07756	3.8
181.06441	1.3
182.07211	0.7
187.07556	0.6
189.09085	63.3
190.09496	2.6
191.08493	0.6
193.06406	1.0
193.10083	5.2
195.08066	0.8
197.06015	0.5
202.07767	1.5
203.08548	2.5
205.06589	0.6
206.07193	1.5
207.08017	0.7
209.06042	1.2
210.06769	1.9
211.07433	1.1
219.08002	0.7
220.08548	0.7
221.06114	0.9
221.09607	8.1
222.10117	0.9
223.07439	1.3
224.08252	1.3
225.05518	1.0
225.08850	1.1
227.06833	0.7
231.08008	0.6
234.06743	1.1
235.11179	0.8
237.09076	1.5
238.09883	1.0
239.07120	0.9
239.10522	0.9
241.08601	1.1
249.09105	8.6
250.09680	0.9
251.07079	0.9
252.07791	0.9
253.04907	0.7
253.08588	1.9
253.12195	11.7
254.12453	0.6
263.10672	0.9
266.09482	1.5
267.10022	1.2
269.07996	3.6
270.08688	0.9
272.10388	1.2
281.11703	9.1
282.12329	0.9
284.10461	1.5
285.11212	1.3
290.94601	0.6
295.13248	0.8
313.06934	2.7
313.11008	2.0
313.14316	37.2
314.14575	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	313.143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13445	0.4
55.01855	0.7
55.05500	0.6
64.06225	0.4
65.03929	1.7
67.05494	0.8
67.99793	0.4
69.74467	0.4
77.03914	0.6
79.05473	1.9
81.03410	0.5
81.07045	1.8
83.08604	0.6
91.05467	38.7
92.05825	0.6
94.04167	1.7
95.04959	7.2
95.08591	0.5
98.06054	0.8
98.97588	0.7
100.11227	1.3
103.05450	1.7
105.04550	0.7
105.07006	1.7
107.04935	3.9
109.06496	2.0
115.05451	1.9
117.06968	1.0
119.04927	25.3
120.08083	1.6
121.06514	1.0
121.61179	0.5
122.03634	5.5
123.04449	0.7
123.08089	0.9
126.82661	0.4
127.15551	0.5
128.06201	8.5
129.06985	22.3
130.07330	0.5
131.04924	2.4
131.08514	0.9
132.05646	0.6
133.06468	1.6
133.07518	0.5
135.08011	0.7
136.05157	5.0
137.05956	61.5
138.06279	1.6
141.05533	0.5
141.06902	0.6
143.04868	0.9
144.61142	0.4
145.06441	2.9
146.07205	1.4
147.08023	0.9
149.05966	1.3
151.04044	2.5
151.07516	100.0
152.07919	2.6
155.06004	1.3
156.05666	1.3
157.06462	12.1
158.07135	0.4
159.04475	0.4
159.08047	0.6
160.05225	0.9
161.05937	2.4
161.09619	1.7
163.03880	1.9
163.07544	3.1
165.06938	2.2
168.13844	0.8
169.06506	0.8
173.05928	0.7
174.06728	11.0
175.07516	5.8
176.08257	1.3
177.09087	1.7
178.07762	3.3
179.08607	0.6
180.28584	0.4
181.04965	0.7
181.06465	1.3
183.09148	0.5
189.09076	56.0
190.09467	2.4
191.08586	0.7
191.10768	0.6
192.09279	1.0
193.06532	0.8
193.10127	4.9
195.08060	1.1
197.10783	0.6
202.07736	2.0
203.08528	3.0
203.10168	0.5
205.06505	1.3
206.07225	1.3
207.08049	0.6
209.05885	0.7
210.06752	1.5
211.07384	0.5
219.08044	1.0
220.08846	1.0
221.06065	0.6
221.09576	8.7
222.10190	0.7
223.07506	3.1
224.08102	0.8
225.08838	0.4
225.10382	1.2
226.10971	0.4
231.07986	1.2
233.06038	0.8
234.06628	1.2
235.11206	0.6
236.07051	0.5
237.09108	0.7
238.06100	0.7
238.09904	0.8
239.06978	0.6
248.08316	0.9
249.05479	0.7
249.06352	0.7
249.09045	7.8
251.06877	2.5
253.08524	0.9
253.09245	0.9
253.12170	9.3
254.12550	0.6
254.30887	0.4
263.10703	1.3
266.09430	0.7
267.10342	0.7
269.08109	2.8
269.10699	0.4
271.10797	1.0
272.10440	0.8
281.11664	7.3
282.12393	0.5
284.10403	1.2
285.12137	1.7
293.60394	0.5
295.06104	1.1
295.13409	0.7
313.06900	1.2
313.11130	1.8
313.14291	26.7
314.14609	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.1
55.20428	0.5
60.04491	1.8
64.22166	0.6
65.03913	2.1
67.05494	0.9
67.60240	0.5
69.43762	2.5
70.06541	0.6
79.05466	3.0
81.03411	0.6
81.07031	1.8
89.03889	0.7
91.05469	42.1
92.05795	0.7
93.07033	1.3
94.04185	3.5
95.04957	7.8
95.08532	0.7
95.97410	0.5
97.02864	0.5
103.05467	2.9
105.04523	0.6
105.07014	2.1
107.04937	9.9
107.08565	1.2
109.02850	0.7
109.06487	2.5
109.10127	0.7
115.05429	2.2
116.06200	0.7
117.03343	0.9
117.06998	1.4
119.04926	27.2
121.06481	1.9
122.03640	8.2
123.04417	0.8
123.08033	1.2
125.41597	0.5
128.06201	10.5
129.06987	25.2
130.07277	0.9
131.04919	3.2
131.08563	1.1
133.02869	1.0
133.06447	2.4
135.08031	2.4
136.05197	4.7
137.05957	88.6
138.06287	2.1
143.04848	0.9
145.06494	4.0
146.07196	1.7
147.08017	1.2
149.05951	1.6
151.04080	2.8
151.07520	100.0
152.06165	1.1
152.07883	3.3
153.06938	2.0
155.06003	1.7
155.08569	0.6
156.05667	1.7
157.06465	19.2
158.07219	0.9
159.04384	1.2
160.05174	5.3
161.05951	3.4
161.09595	2.7
163.07512	7.5
165.06953	5.0
167.08542	1.2
169.06497	1.3
173.05963	1.1
174.06740	14.8
175.07515	6.9
176.06148	1.3
176.08226	0.7
176.32561	0.6
177.06989	4.0
177.09132	0.7
178.07718	6.2
179.08498	1.7
181.04988	1.0
181.06427	5.0
182.07230	1.0
187.07405	0.6
188.06895	0.7
189.09081	59.4
190.06506	1.2
190.09442	2.5
191.08582	0.8
192.09334	1.2
193.06419	2.0
193.10112	7.0
194.10689	0.8
195.08014	3.0
197.05965	1.8
202.07803	1.9
203.08513	3.0
204.04398	0.9
205.06459	13.2
206.07150	2.9
207.07881	0.7
209.05966	1.7
210.06770	1.8
211.07553	2.3
218.06004	0.8
219.08104	0.7
220.08813	0.9
221.05992	8.0
221.09583	10.1
222.06465	0.6
222.10269	0.7
223.07510	27.9
224.08093	2.5
225.05473	1.1
225.09152	1.8
231.08064	0.8
233.05994	6.9
234.06656	2.6
235.08687	7.8
236.07051	5.8
236.09100	0.9
237.09117	0.7
238.06406	0.6
238.09912	1.5
239.06993	1.4
240.07834	0.7
241.08585	1.5
249.05441	8.2
249.09093	8.5
250.06252	1.1
250.08946	1.7
251.06995	23.1
252.07271	1.5
253.08423	0.6
253.09535	1.6
253.12186	13.1
254.08160	2.1
254.12761	0.6
263.08258	1.3
263.10730	0.8
266.09457	0.8
267.06619	1.0
268.07053	0.7
268.09735	0.9
269.08041	14.0
270.08594	0.7
272.10321	2.6
277.04892	5.8
278.08170	1.5
281.08963	1.1
281.11664	7.7
282.12244	1.0
284.10410	2.1
285.11493	1.1
295.05927	11.9
295.13391	0.7
296.06363	0.9
296.09174	4.8
313.11725	3.6
313.14423	43.7
314.14575	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	313.1431
Annotation	Nordentatin
Peak:m/z	Relative Intensity
55.01845	1.3
55.05503	1.1
57.07047	0.7
67.05492	0.8
69.97326	0.5
77.55247	0.5
81.07033	0.7
83.01305	2.0
83.04952	0.7
91.05457	1.9
93.07030	0.8
95.08583	0.7
98.97563	0.7
105.06992	1.3
107.04879	0.7
115.05449	1.0
116.98594	0.6
117.06993	0.7
119.04930	1.0
119.08566	0.6
121.10126	1.5
129.06934	1.7
131.04921	1.1
131.08577	0.8
133.02835	0.8
141.07007	0.6
142.07724	1.6
143.08568	0.6
145.06477	0.7
145.10059	3.2
147.07986	1.8
151.55411	0.6
153.06982	0.6
155.08528	5.6
156.09273	0.6
157.06435	1.1
157.10092	0.9
158.07251	1.4
159.08064	1.2
161.02284	2.5
161.05933	0.9
161.09586	0.6
165.06958	1.3
168.05670	0.7
169.06421	0.7
170.07230	0.6
173.05899	2.6
173.09543	3.4
175.03885	2.0
175.07515	18.8
176.07886	0.8
183.08011	6.4
185.05997	3.3
185.09558	1.4
186.06595	1.2
187.03902	2.7
187.07433	2.6
198.06662	0.8
201.05389	1.7
201.09065	6.6
203.06975	0.6
211.07498	7.5
212.08215	5.1
213.05353	0.9
213.09053	1.2
214.06163	3.4
215.03354	2.5
215.06880	3.1
228.04182	0.7
229.08565	12.5
239.06891	4.3
242.05692	11.6
243.06015	0.7
257.08032	100.0
258.08356	3.9
261.12305	0.7
268.26212	0.6
298.10519	0.5
312.32425	0.6
313.14264	32.3
313.17438	1.2
314.14447	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	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
55.05496	0.5
55.51826	0.5
57.03430	0.9
57.07074	4.3
57.55064	0.4
58.06586	1.2
62.06080	1.2
67.05473	0.9
68.99778	0.8
69.03407	0.6
69.07043	1.8
70.05436	0.5
70.27108	1.1
70.27461	0.7
71.08618	2.4
72.08156	1.1
79.05471	0.6
81.07047	1.8
90.77308	0.5
91.05492	0.6
92.32129	0.5
93.06982	0.5
93.27154	0.5
95.08601	1.6
98.97568	0.6
107.08610	0.5
109.10174	0.8
113.09643	0.8
119.08586	0.6
121.10085	0.5
123.11707	1.1
128.06189	1.8
135.04376	0.9
143.08524	2.9
147.04410	1.2
153.06873	0.7
154.89075	0.5
155.08484	0.6
156.17450	1.0
157.06465	0.6
163.03917	1.8
169.06741	0.6
170.25432	0.6
171.04472	0.7
171.08020	4.7
173.05946	1.4
174.18454	2.4
175.03906	0.8
175.84544	0.5
181.06361	0.9
184.05154	0.9
184.20461	1.0
185.05907	0.8
187.03937	0.9
189.09082	0.9
191.03357	9.6
199.07520	2.1
201.05511	0.7
202.06294	0.9
202.21628	1.8
203.03365	1.7
205.04881	2.2
215.03381	3.0
216.04114	3.9
217.08583	2.1
227.06993	2.8
229.04895	1.0
230.05713	5.7
245.08061	100.0
246.08400	4.6
312.32675	0.6
313.10922	0.5
313.14215	1.7
313.23795	0.7
314.14081	1.0
314.34106	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
53.03942	1.1
55.05500	1.5
56.74482	0.9
62.41613	0.8
63.49805	1.0
67.05484	6.6
69.07053	5.0
70.17413	2.3
79.05487	9.3
81.03426	1.0
81.07043	51.9
83.01309	1.3
83.04945	0.9
91.05460	3.3
93.07024	2.1
95.04919	2.4
95.08585	5.3
103.05447	2.4
105.04475	1.1
105.06968	1.3
107.04934	4.8
107.98280	1.0
109.10143	13.0
116.98621	1.3
121.06465	2.9
121.10114	1.8
123.11655	4.5
129.27498	0.9
131.04915	4.8
135.04405	10.6
149.02257	3.0
149.05942	4.2
159.04375	2.9
159.07803	1.0
162.03108	3.2
163.03862	13.0
173.09573	1.5
175.03857	2.9
177.05455	4.5
189.05405	1.2
190.02599	6.0
191.03362	100.0
192.03647	2.9
199.03873	1.6
201.05470	1.0
201.09015	2.7
203.03409	0.9
203.06973	1.1
205.04932	36.6
215.03261	1.3
217.04909	2.3
219.06496	4.7
227.06961	1.3
229.04877	1.9
229.08490	3.1
231.06454	4.2
233.08058	32.5
234.08257	1.6
243.06538	2.3
245.08090	6.9
257.08051	23.0
271.09625	7.9
290.94562	1.8
295.13110	1.0
298.10504	1.0
313.14255	55.4
314.14398	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	313.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54713	2.5
55.05502	5.1
67.05495	9.6
69.07053	6.1
71.04981	16.9
71.44493	3.8
75.05808	2.9
78.01865	3.0
79.05471	5.8
81.07050	18.3
83.04954	2.7
83.08608	3.2
91.05470	5.4
93.07032	6.1
95.08582	19.6
99.04439	100.0
104.77624	2.3
105.07024	7.8
109.20657	2.7
116.98593	3.0
117.05456	3.9
119.08552	11.2
121.10154	3.7
133.10124	3.9
135.11626	3.6
137.13223	4.2
161.13239	18.4
179.14246	12.0
333.79904	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	313.2369
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.03944	7.1
55.01864	27.0
55.05507	40.2
56.96576	7.7
57.07061	13.3
60.04527	47.4
65.03903	8.2
67.05495	100.0
69.03445	10.1
69.07054	33.9
71.08621	12.3
79.05470	44.4
79.09500	6.5
81.03418	11.4
81.07050	70.2
83.04937	9.1
83.08605	24.9
85.10191	8.4
91.05454	27.8
93.07035	57.7
95.04963	19.9
95.08599	49.4
97.06536	9.6
97.10165	11.4
98.22701	14.3
98.97602	12.4
99.08077	16.3
105.07034	28.0
107.08554	33.7
109.10157	28.9
111.08055	15.6
113.09600	7.6
116.98624	12.7
119.08614	18.2
121.10136	23.1
123.08112	10.0
123.11649	10.3
125.09615	10.9
131.08516	10.8
132.27391	6.5
133.10117	20.6
135.11647	16.3
137.09645	15.0
139.11098	11.7
147.11678	18.2
149.09650	6.2
149.13217	19.3
159.11641	10.4
161.13200	12.8
173.11711	16.3
177.12616	7.8
185.13283	12.1
195.13745	12.3
229.52583	6.5
241.19513	7.0
249.21957	9.8
253.08369	17.3
260.05411	6.9
277.21606	56.9
295.22403	31.1
313.10474	17.2
313.25339	81.6
314.27005	8.6
332.72571	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15217	0.7
54.94033	0.8
55.05507	11.0
57.03434	24.5
57.07070	76.1
58.07408	1.0
67.05166	1.0
67.05502	13.3
67.79976	0.8
69.07057	13.6
69.14977	5.9
71.08624	49.8
79.05485	0.9
81.07050	19.4
81.58076	0.9
83.04933	1.4
83.08607	17.7
85.06490	0.9
85.10172	25.6
89.06018	5.7
93.07021	1.2
95.08597	30.0
97.10169	7.6
98.23536	1.7
99.11717	2.4
103.07574	3.1
107.08614	1.4
109.10137	13.5
111.11701	2.2
117.09084	1.5
123.11665	5.8
137.13260	3.0
151.14771	1.2
221.22888	0.9
239.23732	5.0
257.24704	8.2
313.27322	100.0
314.27603	4.7
316.07892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	12.6
57.03429	25.3
57.07065	79.9
58.07397	1.6
67.05491	14.6
69.07055	13.5
69.25918	3.6
69.26323	2.0
70.07384	1.0
71.08617	49.3
79.05462	1.2
81.07043	18.0
83.08610	15.6
85.06540	1.4
85.10162	23.3
86.10517	1.2
88.71637	0.9
89.05998	3.6
90.73939	0.9
93.07030	1.8
94.39523	0.8
95.08591	29.0
97.10156	7.1
99.11719	1.3
103.07581	2.6
105.67443	0.9
107.08607	1.2
109.10129	13.3
111.08035	1.3
111.11684	2.0
123.11694	5.3
123.42506	0.9
125.13212	1.5
129.00755	1.0
131.10555	1.2
135.11649	1.0
137.13197	2.3
140.77927	0.8
163.14818	1.0
239.23576	5.2
257.24738	8.1
294.44180	1.1
313.27298	100.0
314.27643	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	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.4
57.03429	8.4
57.07067	40.4
57.78184	0.3
58.07393	0.4
59.05030	0.4
67.05493	8.2
68.02200	0.3
69.07058	5.9
69.28159	1.4
71.08619	25.5
75.04436	0.3
79.05485	1.2
81.07043	9.7
83.08603	7.2
85.06528	0.5
85.10165	14.5
89.06010	1.3
91.05466	0.6
93.07043	0.9
93.37149	0.3
95.08594	14.3
96.08926	0.3
97.10148	3.3
99.08104	0.3
99.11724	0.7
103.07561	0.7
107.04925	0.4
107.08525	0.5
109.10143	6.2
110.10474	0.3
111.11699	0.8
117.09118	0.4
121.10138	0.7
123.11686	2.9
125.13234	0.4
125.64019	0.3
137.13254	0.7
140.92575	0.3
157.12236	0.5
163.03912	0.4
165.16339	0.4
191.03374	6.4
192.03781	0.5
205.04965	0.9
221.22552	0.4
239.23640	2.1
257.24548	1.5
283.41919	0.3
313.27310	100.0
314.13757	0.9
314.27731	5.3
314.33881	2.6
322.43945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65952	0.5
55.05502	6.9
55.21707	0.6
57.03147	0.6
57.03430	13.1
57.07069	46.0
58.06594	0.9
58.07383	0.9
60.08150	1.0
63.14159	0.6
65.01197	0.6
67.05495	8.0
69.07055	7.9
69.73263	2.1
71.08623	30.3
72.08958	1.1
79.05478	0.9
81.07048	12.7
83.08608	8.9
85.06529	0.8
85.09692	1.3
85.10174	18.2
89.06013	1.9
93.07029	0.9
95.08012	1.3
95.08593	16.4
97.10148	3.8
109.10142	7.2
111.11717	0.9
123.11653	3.0
125.13282	0.8
137.13240	1.4
238.47931	0.6
239.23720	2.7
257.24747	2.6
312.36166	1.7
313.27335	100.0
313.36682	2.5
314.13815	2.0
314.27701	5.3
324.43527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1232
Annotation	N-methylanthraniloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03942	0.3
56.96550	0.5
69.03424	0.6
70.71386	0.3
74.40137	0.2
75.36251	0.2
75.64471	0.2
75.69465	0.2
77.03910	0.2
79.05488	2.8
79.84959	0.2
81.03419	0.3
81.05795	0.6
81.07040	0.5
85.02896	1.8
90.91905	0.2
91.05463	0.6
95.04954	0.6
96.08120	0.8
97.02886	0.7
98.97586	1.2
105.04462	0.3
106.06549	3.9
107.04945	6.5
108.05137	0.2
109.02820	0.2
109.06553	0.4
110.02424	0.3
110.97549	0.3
113.48970	0.2
116.98611	0.6
123.06818	0.5
124.07581	4.1
125.08544	0.2
134.06000	51.2
135.04407	3.0
135.06340	1.0
136.06219	0.3
148.07512	0.3
152.07051	100.0
153.07375	2.1
169.83907	0.2
170.08177	0.3
176.07072	0.7
194.08096	3.3
236.09143	0.4
237.02809	0.4
248.52583	0.2
296.11249	2.2
302.37402	0.2
314.08664	0.6
314.12286	9.3
315.04593	1.0
315.12769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
61.96359	0.5
65.03933	0.7
69.03418	1.4
69.77810	0.9
69.78159	1.4
77.03928	1.5
78.43730	0.4
79.05479	7.4
81.03367	1.2
81.05804	0.6
83.04980	1.0
85.02892	6.2
91.05482	2.0
92.04971	2.5
94.45900	0.5
95.04958	2.9
96.08121	2.5
97.02882	0.8
98.97574	2.6
99.04436	3.0
103.03912	5.1
104.04925	0.5
105.04518	0.7
106.06540	100.0
107.04933	7.2
107.06871	2.0
109.02898	0.5
109.05253	0.5
109.06517	0.6
109.50014	0.4
115.03877	0.6
116.98613	0.7
123.06829	2.5
124.07574	16.4
127.03893	3.5
134.05995	41.9
135.04410	2.8
135.06319	0.6
145.04991	0.9
148.07561	0.5
152.07045	98.7
153.07478	2.2
163.06107	0.5
170.08118	3.6
192.10133	0.9
194.08086	2.5
217.64417	0.5
217.93378	0.5
219.01756	0.6
234.11247	1.1
236.09077	1.3
237.02831	1.1
278.10205	0.9
279.12317	0.7
290.94815	0.5
296.11252	20.6
296.14679	1.1
297.11801	0.6
297.58755	0.6
314.12274	39.6
315.12677	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.123
Annotation	N-methylanthraniloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03929	0.3
55.01878	0.3
57.03414	0.6
58.02934	0.3
61.02899	0.3
65.03935	0.3
69.03407	1.1
69.77824	0.8
70.02918	0.8
77.03924	0.5
79.05038	0.5
79.05483	7.4
81.03419	0.4
81.07028	1.1
82.06572	0.3
85.02393	0.4
85.02895	4.7
91.05471	1.7
95.04964	1.0
97.02884	0.7
106.05807	0.4
106.06540	10.3
107.04940	21.3
109.02882	0.5
109.06506	2.1
110.31865	0.3
116.04946	0.3
118.06561	0.5
120.08045	0.3
122.05985	0.3
124.07567	0.9
127.03931	0.5
133.06389	0.2
134.06000	9.4
135.04402	9.5
145.04965	0.3
145.06044	0.3
146.05981	0.3
148.07564	0.5
152.07043	100.0
153.07401	2.7
157.60239	0.3
158.06078	0.3
164.07040	0.7
176.07076	0.7
194.08105	5.8
194.09761	0.4
218.08136	0.4
224.09222	0.7
296.11246	10.9
297.11551	0.5
314.12289	21.4
315.12619	0.9
334.73795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23054	0.2
51.24835	0.2
51.58973	0.2
53.03924	0.5
57.03408	0.6
61.02914	0.4
65.03922	0.2
65.62465	0.2
69.03416	1.3
69.77785	0.8
70.02931	0.6
72.94654	0.2
73.02903	0.3
75.16315	0.3
76.32255	0.2
77.03910	0.4
79.05479	6.5
79.05935	0.4
81.03419	0.4
81.07037	1.1
85.02892	4.7
89.45300	0.3
91.05465	2.0
95.04957	1.3
97.02879	1.0
99.04418	0.4
103.03968	0.3
105.04467	0.3
106.06538	11.9
107.04937	19.2
108.05235	0.3
109.02855	0.7
109.06470	1.7
116.04930	0.3
118.06545	0.5
120.08169	0.4
124.07542	0.9
127.03884	0.7
133.06514	0.3
134.05991	9.8
135.04395	10.6
146.05933	0.4
152.07039	100.0
153.05423	0.7
153.07423	1.4
153.30251	0.3
164.06984	0.4
176.07033	0.8
192.06534	0.2
194.08130	5.1
247.58112	0.3
278.10251	0.3
296.11246	9.8
296.14685	0.5
297.11710	0.3
314.12271	20.6
315.12628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.175
Annotation	Laurifine
Peak:m/z	Relative Intensity
56.05036	1.1
56.12779	0.5
56.87604	0.5
56.96568	0.6
58.06596	100.0
58.40836	0.4
59.06928	0.8
70.93949	0.4
71.10130	0.4
72.43228	0.5
79.05506	1.3
81.91664	0.4
84.04511	0.7
91.05500	1.4
93.07037	0.7
95.04971	1.3
97.02898	1.4
98.97588	0.9
103.05453	1.0
106.06544	1.3
107.04945	37.3
108.05280	1.1
115.03891	0.5
115.05442	1.8
116.98600	0.8
117.07025	0.7
119.04924	0.9
121.06490	3.8
122.06027	2.5
123.06359	2.1
131.04898	1.2
132.04416	1.0
133.04797	1.4
134.06009	1.0
136.06194	3.8
137.05977	4.6
143.04903	3.9
145.06461	3.9
147.08041	1.8
148.03972	0.9
149.02406	0.6
149.04257	0.7
149.05956	0.8
150.05472	1.9
151.05833	1.7
151.07544	2.1
152.07043	4.0
157.07660	1.1
160.05190	1.1
162.05516	0.6
162.06761	0.6
163.06268	0.8
163.07553	1.2
164.07043	2.9
165.07358	1.6
166.07756	0.8
175.07553	5.7
177.09105	0.5
182.98570	0.5
189.07172	0.5
191.08644	1.4
192.10193	1.7
193.10945	0.8
194.07243	1.1
197.01216	0.6
197.07861	0.7
209.08034	1.0
209.09613	2.3
211.07346	0.5
211.09451	1.2
211.11221	1.4
219.08131	1.1
221.07857	3.6
225.07544	0.6
226.08270	1.0
236.06715	2.6
236.09023	1.5
237.07111	4.1
237.09581	2.5
238.08131	0.9
239.08896	1.5
239.10928	1.1
246.76617	0.5
251.08951	0.8
253.10506	0.6
254.07352	2.6
254.09981	0.9
264.08487	0.9
269.11871	11.3
271.13281	5.5
274.81607	0.5
281.03757	0.7
281.08875	0.7
282.09445	0.8
296.11319	0.8
297.09378	0.9
298.10773	0.7
299.05032	1.0
299.11673	0.6
314.07303	1.3
314.12180	3.6
314.17450	88.2
315.17792	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	314.2686
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
51.76409	1.3
55.05503	4.1
56.03781	1.2
56.05029	2.6
57.07063	3.5
58.06597	1.5
60.04520	100.0
60.62593	1.1
63.88786	1.1
67.05504	9.8
68.28271	1.4
69.07063	3.4
69.22461	3.5
69.22875	3.7
71.08650	2.0
72.04501	1.4
74.06081	2.5
79.05483	8.7
80.05005	1.6
81.03384	1.3
81.07039	11.4
83.08622	2.9
89.71373	1.1
90.05529	1.5
91.05464	3.8
93.07043	8.5
94.06565	2.0
95.04926	2.9
95.08613	6.8
96.89922	1.2
97.06523	1.3
97.10162	1.5
98.22676	2.0
98.97602	4.2
105.07006	3.2
105.94485	1.1
107.08582	3.5
108.08194	1.2
109.10129	2.2
116.98621	5.0
119.08579	2.2
121.10143	3.9
134.99654	2.2
248.23787	2.6
260.23657	1.3
278.24741	10.1
279.25446	1.6
290.94583	3.3
296.25797	7.5
314.13785	3.3
314.26871	32.7
315.07419	1.4
315.10864	2.1
315.19614	1.3
315.27136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89408	8.8
65.86803	10.0
69.24256	51.8
69.24574	11.8
84.86590	9.4
87.25458	9.9
98.97563	19.5
105.24861	10.0
134.63205	10.0
153.21278	9.3
219.01605	17.3
226.05811	9.7
237.02722	21.6
315.04642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0471
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
55.15263	7.4
69.75709	27.0
130.94098	7.9
142.28645	7.8
176.81155	7.9
315.04684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03893	1.6
67.05451	1.7
68.50884	0.6
69.92384	0.7
69.92734	1.1
79.05448	0.7
81.07015	1.4
82.02957	0.6
91.05415	0.8
91.51322	0.5
92.04953	1.3
93.03383	0.6
94.06528	0.7
95.04912	1.4
98.97546	1.6
104.64350	0.5
105.07017	0.6
106.06525	1.1
108.04461	0.7
116.98582	1.3
119.08497	0.8
120.04465	3.2
122.05981	1.1
129.06938	0.6
133.02817	4.4
134.05972	0.8
134.95877	0.5
136.07539	2.7
138.84814	0.5
141.71077	0.5
143.07243	0.7
143.08469	1.2
144.08018	1.3
145.08731	0.8
148.03874	3.5
153.06979	0.6
154.06415	0.8
154.07704	1.6
155.07269	0.5
155.08473	0.8
156.08070	0.6
157.08832	0.9
158.09503	0.6
159.09164	0.5
159.11679	0.5
162.05440	1.1
165.06956	1.2
166.04994	0.5
167.07239	2.5
167.08513	0.9
168.07971	1.8
169.07559	0.9
169.08803	1.2
169.10083	1.4
170.08344	2.5
170.09587	1.5
172.07506	1.2
173.08347	1.0
180.06448	0.7
180.08067	0.8
182.06006	0.7
182.09619	4.6
183.09125	1.6
184.07590	1.2
184.09692	2.7
184.11372	2.5
185.10657	1.8
186.09143	0.7
187.08571	2.8
189.10188	0.8
196.07491	1.7
197.07005	2.4
197.08388	1.9
198.07623	4.7
198.09175	1.9
199.08455	1.0
199.12292	6.7
200.10710	1.0
209.10602	0.7
210.09102	12.9
211.08588	6.2
212.09163	12.1
213.10097	6.2
225.06517	3.0
225.10173	1.0
226.07169	4.9
226.10736	0.9
227.08035	1.6
227.11745	25.4
228.10168	0.5
228.12149	1.3
237.10191	2.1
238.08568	5.1
239.08115	4.1
240.08861	13.4
241.09662	27.9
242.09941	1.2
254.10611	1.2
255.11235	100.0
256.11569	4.9
264.23920	0.5
266.08032	0.7
283.10718	75.9
284.11008	4.8
315.07388	0.8
315.10690	0.7
315.13391	7.1
315.19379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1335
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
51.02370	0.5
53.03907	0.5
61.18830	0.5
66.16626	0.5
67.05490	0.7
68.57375	0.5
69.92708	0.8
69.93045	0.8
71.85138	0.5
79.05486	8.4
80.04994	1.3
81.03407	0.6
85.02872	0.6
86.09671	1.4
91.05462	6.4
93.07021	2.0
94.06553	1.2
95.04950	3.5
96.08131	0.5
103.05453	30.1
104.04974	11.8
104.05690	0.6
105.03366	2.2
105.04518	0.9
105.07021	1.8
106.06543	1.5
107.04944	13.2
108.04476	2.0
108.08064	0.8
110.06052	0.5
117.05804	0.5
118.06511	1.0
119.49580	0.5
120.08086	59.9
121.07613	1.3
121.08430	1.5
122.06008	5.5
123.04420	3.0
124.07552	1.7
128.50616	0.4
130.06552	0.6
131.04909	21.3
131.05899	1.0
132.04430	21.6
133.02866	1.0
133.05112	0.7
134.06003	0.8
135.04340	0.5
136.07538	1.4
147.05515	0.7
148.06229	1.4
148.07425	0.7
149.02307	0.9
149.05977	6.9
149.07091	1.2
150.05447	4.6
154.08603	7.4
165.06850	0.7
166.07367	0.9
166.08604	8.4
193.17870	0.6
206.09651	1.6
211.07364	0.8
223.12308	1.8
224.10716	0.7
233.10748	1.7
234.09148	2.0
238.08060	0.7
251.11757	7.2
252.10068	0.9
253.13283	2.3
269.12842	5.8
291.25177	0.6
297.12350	5.5
298.10574	1.5
315.13345	100.0
316.13989	5.9
316.17618	1.3
339.17261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.4
60.17846	0.3
64.67221	0.4
64.84121	0.3
65.03923	1.7
67.05486	1.1
68.99789	0.5
69.03368	0.4
69.07046	0.5
69.09925	1.8
77.03924	0.6
79.05480	3.0
80.04988	1.0
81.07056	0.4
82.06583	0.6
85.02900	0.8
89.03917	0.5
91.05461	2.4
92.04997	2.3
93.05767	1.4
93.07029	6.4
94.06550	3.5
95.04945	1.2
95.07343	2.6
95.08590	1.0
96.08119	5.1
98.22695	0.7
103.05458	1.1
105.04498	0.4
105.07021	0.7
106.06557	2.3
107.04915	0.6
108.08105	11.3
110.08951	0.8
110.09669	9.1
116.04972	1.1
118.06535	0.7
119.07358	0.5
120.04453	16.1
120.08100	8.0
121.06443	0.5
123.06767	0.5
124.07592	0.6
126.09171	1.3
127.03880	0.6
131.08582	0.4
134.06017	3.9
135.04372	0.4
136.07562	21.5
137.05966	0.5
138.05507	2.1
138.09113	10.4
143.08559	0.5
144.04402	1.7
148.07561	5.5
152.07034	0.5
154.08603	24.3
155.08871	0.5
156.20076	0.4
162.05481	100.0
163.05826	3.5
166.08615	22.2
167.08975	0.5
184.09914	0.9
195.02740	0.5
197.10698	0.5
198.11578	0.7
199.12282	0.7
212.09482	0.9
221.11708	0.5
227.11824	3.0
245.12878	0.6
249.59116	0.4
255.11272	3.1
269.12784	3.8
273.12350	2.3
287.13892	0.8
297.12341	9.2
298.12732	0.4
315.13327	6.1
316.13809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05502	3.6
57.36723	1.1
65.03889	1.1
67.05496	22.4
69.03421	28.3
69.07056	2.4
69.26532	2.0
69.26920	3.6
77.33402	1.0
79.05469	6.4
81.03416	1.2
81.07040	14.6
84.11761	1.0
91.05445	5.7
91.17718	1.0
93.07035	4.4
95.04955	4.5
95.08595	8.2
97.02881	28.0
97.03485	2.1
97.60367	1.1
98.64651	1.0
106.37946	1.1
107.08588	2.2
109.02779	1.4
109.06520	2.9
109.10137	46.0
113.68310	1.0
113.82961	1.0
115.03917	15.8
119.04888	1.1
119.08551	5.8
123.04347	1.4
129.07043	1.9
132.04442	2.4
132.97363	1.1
133.05048	1.2
137.06010	2.0
137.09593	100.0
138.06326	1.7
138.09924	3.0
146.37520	1.1
147.08049	1.4
151.07520	2.5
152.07899	1.3
153.06866	1.1
153.08098	1.5
155.10675	3.8
161.06094	1.4
163.69196	1.3
165.09093	90.6
166.09419	3.7
167.08481	1.2
168.08076	1.5
173.13292	1.1
178.06505	3.2
180.08034	3.5
183.10139	2.3
188.08447	1.3
192.08047	10.9
193.08868	4.9
194.09663	8.9
201.11217	1.5
215.93034	1.1
220.07518	12.1
222.09125	2.7
226.12247	3.6
238.08598	15.5
241.08513	1.7
241.12521	1.4
244.13239	9.6
246.14935	3.0
255.08395	1.6
269.08090	4.5
269.13809	4.4
280.09726	1.9
297.10812	1.8
297.13715	1.6
298.10699	11.9
315.11884	2.7
315.19672	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	315.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94053	0.2
52.17250	0.2
55.01860	0.4
55.05500	1.5
59.51123	0.2
61.94201	0.2
64.41515	0.2
67.01850	0.2
67.05494	0.6
68.99780	0.8
69.03408	0.3
69.07054	1.3
77.03947	0.2
79.05476	0.6
81.07044	0.8
83.01333	1.2
83.08596	0.9
91.05473	1.9
93.07047	1.3
95.04948	0.5
97.10152	0.7
98.97568	0.8
103.05448	0.9
103.55119	0.2
105.07021	0.5
106.04169	0.5
107.04935	0.3
109.06507	0.4
109.10153	1.4
116.98620	0.3
119.04913	0.4
121.02846	0.6
121.06487	5.8
123.11672	0.6
126.20747	0.2
128.06192	0.3
129.06985	0.4
131.04912	3.9
133.06476	0.3
134.03596	1.5
134.99637	0.3
135.04373	0.3
143.04916	0.2
143.08592	0.3
147.04407	0.9
147.07982	0.2
149.02296	0.4
149.05965	3.1
151.07509	0.3
153.06932	0.2
159.04390	1.3
161.02257	0.2
161.05945	0.5
162.03105	12.9
163.03781	0.4
163.07545	0.3
165.06934	0.4
171.04352	0.2
173.06009	0.3
175.03920	0.3
177.05482	2.4
181.06404	0.3
182.86401	0.2
185.06041	0.4
189.05421	0.7
190.02585	18.2
191.03311	1.1
191.06992	0.3
193.04967	0.6
194.07301	0.3
195.02866	0.5
195.07970	0.4
199.03867	0.8
199.07562	0.4
203.03490	0.4
203.07043	0.3
205.04936	100.0
206.05281	3.6
207.06557	1.5
213.05428	1.1
217.04793	0.4
217.08598	0.3
219.06488	10.2
220.06847	0.4
226.06236	0.3
227.06967	0.5
229.04851	0.2
231.06505	0.9
233.08044	2.6
238.42514	0.2
244.07690	0.3
245.08041	2.0
246.07610	0.5
247.09648	3.3
259.09616	3.2
260.09821	0.3
265.08646	0.4
273.11258	0.3
282.05258	0.3
283.09662	0.8
301.92831	0.2
315.08865	1.7
315.12311	0.8
315.15802	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	315.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
55.05508	2.0
65.17146	0.3
67.01860	0.2
67.05494	0.3
68.99782	0.5
69.03403	0.5
69.07053	1.5
71.43097	0.2
79.05479	0.3
81.07040	0.8
83.01327	1.2
83.08614	0.8
91.05478	2.0
93.07034	1.6
95.04948	0.7
97.10150	0.7
98.97569	0.5
103.05446	0.9
105.04493	0.3
105.07055	0.5
106.04179	0.3
107.04946	0.4
109.10149	1.7
119.04929	0.9
121.06498	6.2
123.11629	0.3
129.07007	0.3
131.04915	3.6
133.06482	0.4
134.03615	1.3
143.08554	0.4
147.04372	1.0
149.02336	0.5
149.05962	2.6
152.06148	0.3
153.06903	0.3
159.04398	1.6
161.05975	0.5
162.03101	11.8
163.03523	0.4
165.05470	0.4
171.65794	0.3
176.04729	0.3
177.05440	2.1
189.05428	0.9
190.02588	17.1
191.03227	1.4
191.06987	0.5
193.04961	0.5
199.03909	1.0
203.03519	0.3
203.07024	0.3
203.10379	0.3
205.04939	100.0
206.05301	3.2
207.06487	1.1
213.05360	0.9
217.05011	0.3
217.08434	0.3
219.06503	9.4
220.06789	0.4
227.07124	0.7
231.06456	1.2
233.08058	2.4
244.07243	0.3
245.08099	2.0
246.07535	0.4
247.09673	3.1
255.10295	0.4
259.09647	2.7
269.08234	0.2
273.11359	0.5
282.04974	0.4
283.06171	0.4
283.09555	1.0
310.95517	0.3
312.25558	0.3
315.08905	1.5
315.12354	0.7
315.15839	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	315.1587
Annotation	Ferulagol A
Peak:m/z	Relative Intensity
51.27624	0.5
55.05494	1.5
55.25169	0.5
56.96549	1.2
59.26727	0.4
60.04487	0.5
62.23542	0.5
63.54598	0.5
65.03925	0.5
67.05492	1.2
68.99770	0.6
69.07054	0.8
69.51018	2.1
71.04972	2.0
81.07032	2.1
83.08611	0.6
91.05465	9.4
92.66949	0.5
93.07031	1.4
95.04955	0.5
95.08607	1.3
97.10126	0.6
98.97572	2.6
102.21882	0.5
107.04928	1.0
109.10130	4.4
116.98611	2.1
119.04929	3.8
121.06488	2.6
123.11716	3.5
131.04887	2.4
134.31859	0.5
135.04378	1.1
135.11708	1.0
147.04390	16.3
147.05571	0.8
149.05963	1.1
149.84402	0.6
153.12683	1.7
159.04390	1.5
162.03114	5.4
163.03860	2.0
173.06013	0.6
175.03882	100.0
176.04204	3.8
177.05472	1.3
177.12106	0.5
181.91953	0.5
189.05426	4.5
190.02592	7.9
190.06052	0.6
191.03366	11.8
192.03691	1.8
193.03690	0.8
193.05124	0.6
199.03885	0.8
201.05389	1.0
203.07060	1.4
205.04936	50.3
206.05104	2.4
213.05457	1.6
215.06966	0.7
217.08508	2.4
219.06491	5.8
227.06963	1.1
229.08603	1.2
231.06677	0.6
233.07967	1.7
241.08492	1.6
245.07977	1.1
245.11717	7.9
247.09671	0.7
255.09889	0.5
259.09470	1.2
274.97586	0.9
297.14804	8.1
315.07703	1.4
315.12131	1.1
315.15842	13.9
316.16296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1587
Annotation	8-Geranyl-5,7-dihydroxycoumarin
Peak:m/z	Relative Intensity
51.02360	0.2
51.43268	0.2
53.03935	0.2
54.97964	0.1
55.01845	0.6
55.05506	1.3
57.07071	0.8
60.04522	1.4
67.05472	0.6
68.99775	0.2
69.07057	2.9
70.06586	0.3
71.08607	0.3
72.46681	0.1
77.03905	0.2
79.01827	0.5
79.05486	1.9
81.07043	1.1
83.01332	1.8
83.08611	1.0
88.07621	0.7
89.03891	0.2
91.05458	0.2
93.07022	0.2
95.04964	0.9
95.08569	0.7
97.10109	0.2
98.97536	0.5
103.05414	0.4
105.04525	0.3
105.07042	0.2
106.08641	0.9
107.04242	0.3
107.04940	3.9
109.02850	0.3
111.11676	0.4
116.98587	0.5
117.03359	0.2
117.06956	0.5
119.04929	0.2
121.06482	0.4
123.11696	2.0
128.06152	0.2
129.06943	0.2
131.04932	1.7
133.06439	0.2
134.99623	0.3
135.04401	10.1
136.04730	0.3
137.02280	0.4
143.04887	0.2
143.08540	0.4
145.02820	0.2
145.06441	0.6
147.04382	0.4
149.05923	1.1
157.06444	0.2
159.03239	0.2
159.04417	1.0
163.03886	13.6
164.04185	0.3
171.04442	0.3
171.08015	0.5
173.05914	0.6
174.18579	0.2
175.03844	0.9
177.05481	1.4
179.03349	0.2
185.05894	0.2
187.07559	0.2
189.05412	0.4
191.03365	100.0
192.03693	3.0
193.04974	0.8
199.03883	0.6
199.07495	0.5
203.03546	0.2
203.06978	0.3
205.04945	11.1
206.05252	0.3
213.05437	0.2
213.12494	0.2
217.04953	1.2
217.08527	0.2
219.06490	6.4
220.06789	0.2
227.06984	0.5
231.06494	0.8
232.06030	0.6
233.08066	8.2
234.08499	0.3
245.08076	3.0
246.08386	0.2
247.09602	1.5
259.09634	4.4
260.09979	0.3
268.93970	0.2
273.11136	0.5
274.97598	0.2
280.26300	0.2
315.15878	11.5
316.16196	0.9
316.28644	0.3
316.32025	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	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05499	0.4
57.03420	0.6
64.44561	0.2
65.03918	1.6
67.05513	1.1
68.99777	0.3
69.03435	1.2
69.82278	0.3
69.82616	0.6
73.02901	0.3
77.03902	0.3
79.05478	3.2
80.05009	0.8
81.03399	0.9
81.07043	1.1
81.47266	0.2
82.06550	0.7
83.04996	0.2
85.02418	0.2
85.02905	3.9
86.09690	1.0
87.04433	0.3
89.03907	0.9
91.04930	0.4
91.05470	4.1
92.04987	2.4
93.05760	1.0
93.07034	16.4
94.06557	3.2
94.07215	0.3
94.07329	0.2
95.04957	1.5
95.07339	2.8
95.08592	1.8
96.08123	5.0
97.01302	0.3
97.02886	0.8
97.06480	0.5
98.97562	0.3
99.04406	0.3
103.03922	0.5
103.05455	1.2
105.04518	0.6
105.07018	2.0
106.06533	1.8
107.04953	0.6
107.08575	0.9
108.08107	11.5
108.28162	0.2
109.06466	0.4
109.08902	0.3
109.10161	0.5
110.06024	0.5
110.09669	8.4
110.10439	0.4
111.04420	0.4
115.03904	0.3
116.04968	1.0
116.98569	0.3
117.05770	0.3
117.07043	0.3
118.06533	0.5
119.07273	0.3
119.08575	1.5
120.04456	15.2
120.08092	8.2
120.08736	0.1
121.04768	0.5
121.06471	0.5
121.10128	0.6
122.05968	0.3
123.06789	0.4
124.07575	0.6
125.09608	0.3
126.09088	1.1
127.03858	0.8
128.06248	0.5
129.05475	0.3
129.06982	0.6
131.08551	2.1
133.10143	0.6
134.06006	3.5
135.04373	0.3
135.08025	0.4
135.11656	0.9
136.07561	21.1
137.05928	0.5
137.07927	0.5
137.09572	0.5
138.05473	2.7
138.09125	9.9
139.09470	0.3
142.07729	0.6
143.08534	2.1
144.04419	1.5
145.04909	0.4
145.10081	0.6
147.06516	0.5
147.08014	0.5
147.11667	0.4
148.07556	5.7
149.09601	0.3
149.13426	0.3
152.07077	0.5
154.08607	22.6
155.08841	0.5
157.10114	0.9
157.13361	0.4
159.08052	0.4
159.11678	0.5
161.09612	0.7
162.05478	100.0
163.05838	2.5
163.11107	0.3
165.12785	0.3
166.08618	20.3
167.07318	0.4
167.08704	0.9
175.11102	0.3
182.09615	0.6
183.09178	0.3
184.09909	0.9
196.86464	0.3
197.10686	0.4
198.11584	0.6
199.12288	1.0
203.10687	0.6
212.09392	1.1
221.11714	1.4
226.10909	0.3
227.11732	3.3
239.12701	0.7
245.12914	0.3
251.11728	0.4
254.10536	0.4
255.11230	2.3
261.14746	0.3
269.12793	3.8
273.12329	1.9
279.15744	0.3
287.13846	0.8
297.12292	7.3
298.12543	0.3
315.05026	0.4
315.13440	6.3
316.07999	0.3
316.13818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1904
Annotation	Pergolide
Peak:m/z	Relative Intensity
57.07072	11.2
58.06579	2.0
62.06090	7.3
62.24633	1.0
69.71186	4.0
71.08607	4.9
85.10169	1.5
99.12637	1.1
106.61470	1.1
109.10155	1.3
111.92733	1.2
115.75215	1.3
116.64606	1.2
116.98558	1.3
119.34124	0.9
142.27559	1.2
155.54944	1.3
191.03366	3.6
202.21765	1.3
205.04959	3.2
205.06914	1.1
228.53346	1.5
259.09433	1.4
296.32953	1.9
314.34100	64.0
315.19012	100.0
315.34436	31.0
316.19269	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	315.1928
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
56.96554	1.7
57.07074	7.3
58.06580	1.7
58.07401	1.8
60.04515	1.9
62.06065	3.9
69.44521	1.0
69.74525	2.1
69.74876	2.5
71.08612	2.4
82.10108	1.2
85.10143	1.2
88.07626	1.5
98.97578	2.8
106.08633	1.5
116.98626	2.0
118.02800	1.1
134.99754	1.3
159.11743	1.3
243.08754	1.3
258.27933	5.6
259.28293	3.5
277.15494	1.1
314.34192	16.0
315.07599	1.8
315.11087	4.0
315.19278	100.0
315.34457	29.4
316.19589	7.1
316.32031	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	315.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
67.05523	0.9
69.03423	0.3
69.07056	0.4
69.19437	1.8
70.06581	1.5
72.08147	18.8
73.30283	0.3
79.05508	0.8
81.07069	0.5
91.05493	1.0
93.07037	0.5
94.06581	1.0
95.08599	0.5
96.08141	0.3
97.68143	0.3
104.05000	0.9
105.07011	0.5
106.06569	0.4
107.08646	0.4
109.10128	0.5
115.05434	0.3
117.07012	0.3
118.06558	0.4
119.07327	0.7
119.08552	0.6
120.08101	0.9
122.06068	0.4
124.07612	1.0
128.06229	0.4
129.06981	0.4
133.10219	0.4
134.09656	0.7
137.05951	0.4
141.07036	0.8
146.09634	3.7
147.06773	0.9
150.05466	0.4
150.12782	0.7
153.06966	2.0
155.08530	0.6
158.09608	0.5
159.10400	0.4
160.11208	0.9
161.11996	2.9
162.09174	0.5
162.12741	2.1
164.07060	0.6
164.14343	0.3
165.06851	0.5
165.08051	0.4
168.06671	1.5
168.07901	0.4
169.06464	0.8
169.08835	0.3
170.09544	0.7
172.11197	0.6
180.06534	1.0
181.06560	0.9
181.10165	0.7
182.07217	0.4
182.09621	0.4
183.10368	0.5
183.69147	0.3
184.07497	0.4
184.11200	0.6
186.09029	0.5
187.10031	0.4
188.10672	0.8
188.14326	0.7
190.08614	1.7
192.06554	3.3
192.10229	0.4
193.07146	0.5
193.10239	0.6
194.08160	0.5
197.09656	0.7
198.09163	0.6
198.12740	2.0
200.10718	0.4
200.14314	0.6
209.09616	1.0
211.09866	5.3
213.10147	0.4
214.08630	0.7
215.09319	3.1
216.10213	2.5
216.13725	2.0
218.15288	0.4
224.10713	1.3
226.12234	41.0
227.12587	2.2
228.13950	1.4
229.10951	0.7
240.08678	0.3
241.09698	2.2
244.13290	100.0
245.13615	5.4
246.14856	12.0
247.15118	0.6
255.11224	1.3
273.12271	0.8
283.09680	0.3
287.13864	1.0
299.10272	0.4
300.11060	2.7
315.13400	8.6
315.20624	5.1
316.13434	0.7
323.76990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2315
Annotation	Cardol triene
Peak:m/z	Relative Intensity
55.05505	10.0
57.07065	10.9
59.14710	1.0
67.05472	5.5
69.07058	54.3
69.19349	4.7
71.08622	3.4
76.07655	1.5
79.05475	6.3
81.07053	10.5
83.08611	10.5
91.05472	7.8
93.07034	16.0
95.04977	1.3
95.08590	10.0
97.02895	1.8
97.10141	2.1
105.07034	8.4
107.08590	12.5
109.06491	1.3
109.10146	2.8
111.11739	1.2
117.07010	3.2
119.08538	6.7
121.06543	1.9
121.10102	6.8
123.11652	2.3
128.06203	1.8
129.06985	1.7
131.08566	6.8
133.06386	1.2
133.10112	4.6
135.08055	1.4
135.11685	3.1
137.07899	1.2
143.08516	6.0
145.06474	1.9
145.10120	5.3
147.07965	1.1
147.11679	4.2
149.13246	11.2
157.10104	4.5
159.11671	1.8
161.09616	1.7
163.07501	1.4
163.14853	2.5
171.08096	2.0
171.11613	1.3
173.09668	2.7
174.32457	1.2
183.11526	1.3
185.13283	2.5
189.09087	2.1
191.10686	3.9
199.14780	2.2
203.10634	1.3
213.12741	1.5
219.21028	2.4
221.91823	1.3
227.14250	2.2
315.23138	100.0
315.27536	4.2
316.23553	5.6
316.28491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.8
55.69940	1.7
57.07872	1.7
69.31635	4.0
69.32045	8.7
78.04704	6.5
79.05483	8.1
80.06291	2.9
86.09703	7.2
95.04970	4.3
97.85348	2.0
98.23501	3.6
103.34673	1.8
104.93192	1.9
105.03380	10.8
106.04176	19.4
106.06526	9.8
107.04937	9.4
108.05750	3.4
116.05031	2.7
119.04974	2.9
119.83103	1.8
122.06015	21.6
122.31660	2.2
123.06802	8.4
133.02843	100.0
133.05240	8.7
134.03658	25.6
134.05954	11.1
135.04436	2.9
137.05952	11.8
141.07034	5.4
144.04414	2.4
145.02834	4.7
147.04417	2.7
150.05499	5.4
151.06268	38.9
152.06142	3.9
153.07004	9.3
155.08528	14.3
165.05504	17.2
165.07013	77.3
166.07719	7.0
167.08563	21.1
168.05684	2.7
169.06464	5.5
171.07999	2.0
173.02374	7.8
177.06964	11.5
178.07822	4.6
179.08481	2.0
181.06499	5.9
181.09996	2.4
183.06415	2.3
183.08041	46.5
191.03407	3.9
193.06403	40.4
194.07227	21.6
195.08020	27.9
197.05927	20.1
199.07579	9.0
199.18033	3.0
209.09578	9.3
210.06805	5.7
210.09184	9.5
211.07509	91.0
212.07863	4.6
220.05333	4.6
220.07576	6.3
221.05946	77.0
221.08037	4.8
222.06381	2.4
223.07619	4.6
223.14830	2.3
225.09149	5.3
238.08571	31.0
239.06995	96.9
240.07323	3.4
249.05363	9.9
253.08586	21.3
256.09653	6.0
257.08234	3.2
263.07135	3.3
267.06500	42.8
268.06781	3.1
271.09668	4.7
284.09222	3.6
285.07602	8.4
298.10764	2.6
299.09058	4.9
316.11807	84.6
323.48709	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	316.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.8
59.09946	1.9
61.40413	1.9
62.37086	1.6
67.05489	2.3
69.03422	2.7
70.08804	4.9
71.05006	2.0
77.03926	1.9
78.04699	7.3
79.05489	12.5
80.06285	2.6
81.03405	3.0
81.07040	2.0
86.09698	6.4
91.05462	4.6
95.04949	6.3
97.02872	2.9
98.22797	2.4
102.09184	6.5
103.32253	1.7
105.03356	9.4
106.04155	21.3
106.06542	11.7
107.04925	5.1
108.05728	5.0
111.02431	2.0
116.04955	3.9
119.04873	3.0
121.02860	2.4
122.06007	24.1
123.06819	13.4
127.03889	2.4
132.04385	2.0
133.02834	100.0
133.05128	10.9
134.03615	34.3
134.05981	14.1
135.04431	2.2
137.05965	10.2
141.06979	5.7
144.04439	3.7
145.02846	3.0
145.08586	4.9
150.05496	8.8
151.06276	48.4
152.06152	4.4
153.06972	7.7
154.08595	3.8
155.07185	1.7
155.08507	11.3
157.09767	1.8
160.62904	2.0
162.05568	2.5
165.05484	22.4
165.06996	74.1
166.07722	8.2
167.08539	23.1
168.63255	3.0
169.06483	5.0
171.08083	2.9
173.02338	6.3
177.06908	11.7
178.07744	5.7
181.06467	5.2
181.10095	2.8
183.08032	42.6
191.03406	5.2
191.07028	3.0
193.06400	29.6
194.07198	23.2
195.08020	31.3
197.05959	15.8
199.07573	3.3
205.06479	3.3
209.09648	12.1
210.06717	5.9
210.09142	14.8
211.07520	73.4
211.09555	3.7
220.05414	3.5
220.07558	10.4
221.05943	87.6
222.06357	5.0
223.07585	4.9
225.09103	8.3
235.07443	4.5
238.08582	48.2
239.06978	80.2
249.05382	10.4
253.08559	28.1
256.09650	5.3
257.08054	2.5
263.06979	2.5
266.08298	5.8
267.06512	33.7
271.09763	6.9
284.09109	4.0
285.07599	6.6
298.08142	2.7
298.11188	3.6
299.08878	3.9
316.11783	94.7
316.17566	3.7
316.21350	2.5
317.08368	4.4
317.11935	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	316.1178
Annotation	Bhimamycin C
Peak:m/z	Relative Intensity
52.72794	0.9
55.08631	0.8
60.04516	1.7
63.32923	0.9
65.03923	0.8
67.05502	8.4
68.05828	1.8
69.03430	5.8
69.07055	1.7
70.03760	1.8
71.44244	1.0
79.05476	6.7
81.07050	5.1
82.07362	1.4
91.05488	1.5
93.07013	1.3
95.04950	4.0
95.08589	3.8
96.08907	1.6
97.02873	4.7
98.03214	1.6
98.97591	1.0
105.03406	1.9
106.05011	1.3
107.08612	1.1
108.08871	1.0
109.10139	8.7
110.10477	5.7
111.04515	0.8
115.03951	2.7
116.04275	1.8
117.05760	1.4
119.08561	1.8
120.08915	1.1
121.10136	1.6
123.04390	4.8
132.04428	17.2
133.10159	1.0
134.06033	1.8
137.05948	1.2
137.09604	10.4
138.09930	14.4
144.04482	1.2
145.10117	1.1
152.06134	0.9
159.11787	0.9
164.07050	3.2
165.06995	6.6
165.09088	8.6
166.09438	16.9
167.07301	3.4
167.08594	1.4
168.08058	9.2
169.08885	1.8
176.07056	2.4
178.06479	24.6
178.07928	1.8
179.07178	3.3
180.08061	21.9
181.08734	1.0
182.09645	3.3
191.07277	3.5
192.08055	60.9
193.08835	31.9
194.09619	48.3
195.10007	1.6
196.07545	10.4
198.09123	2.5
198.18947	0.8
204.08109	1.4
208.11209	2.0
210.09125	7.9
220.07547	80.6
221.08093	5.6
222.09090	13.1
224.07005	1.3
224.10664	3.7
228.10207	1.0
238.08592	100.0
239.09097	5.5
248.07021	3.6
252.10179	10.6
254.11752	1.7
256.09668	3.1
260.75592	1.0
266.08057	8.3
270.11237	3.9
270.13956	1.3
274.10809	1.1
280.09622	14.7
298.10703	81.0
299.11035	3.8
313.70956	0.9
316.11813	7.0
316.23102	1.4
317.08707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43339	0.3
53.80036	0.3
55.01892	0.3
55.05499	1.1
57.07041	0.3
60.04507	1.0
67.05493	0.9
68.05026	0.9
69.03434	0.3
69.07069	0.6
70.06586	2.7
72.08140	3.6
73.06547	1.0
75.76085	0.3
80.05017	2.3
81.05766	0.4
81.07037	1.0
82.04195	2.0
82.06582	1.0
83.04984	1.6
84.04514	0.5
84.08123	1.9
85.06538	1.5
86.09692	6.1
87.04459	0.5
91.05461	0.6
92.05008	0.4
93.05774	6.9
93.06324	0.6
94.06557	13.3
95.04951	0.4
95.07362	0.8
95.08597	0.4
96.04477	1.0
96.08150	0.5
98.06040	1.3
98.97568	0.6
99.04439	2.6
101.56628	0.3
101.84000	0.3
102.05527	0.7
102.09148	0.6
106.04176	0.4
106.06549	1.7
107.04939	0.3
107.07368	0.3
108.08085	1.9
109.06480	0.6
109.08850	0.3
109.71112	0.3
110.06052	1.0
111.06084	0.7
111.06811	7.3
112.07613	1.5
112.58368	0.3
113.06113	0.3
115.03909	1.5
116.07077	3.8
116.98607	0.3
120.08113	0.8
124.07599	0.4
128.07097	0.5
133.02847	1.0
133.05234	0.3
134.03627	0.4
134.05984	0.5
136.07564	7.0
136.08597	0.4
137.05974	1.2
137.08362	2.0
138.09123	17.8
140.07169	0.5
150.23616	0.4
151.06281	1.2
154.08604	2.6
155.09406	6.1
159.06523	2.3
163.40926	0.3
165.05525	0.6
165.06987	1.0
171.14908	1.2
172.09673	35.3
173.10034	1.1
173.12808	1.5
176.09212	1.2
183.08060	0.6
193.06514	0.4
194.07082	0.4
199.14368	0.4
199.18044	1.2
203.13979	0.4
211.07616	0.9
214.92598	0.3
216.12289	5.9
221.05907	1.1
226.14458	0.8
238.08621	0.7
239.07056	1.1
267.06528	0.6
272.14957	0.7
298.16461	0.7
316.17532	100.0
316.20975	6.8
317.08432	0.7
317.11908	2.6
317.17868	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	316.1751
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
51.59336	0.3
53.03927	0.4
53.76362	0.3
55.01862	0.5
55.05483	0.7
60.04492	0.8
63.60636	0.3
63.62963	0.3
65.03920	0.4
67.05488	1.0
68.05000	1.3
69.03456	0.3
70.06580	4.1
72.08096	0.3
73.06540	0.4
80.04993	2.1
81.03377	0.8
81.07044	1.2
82.04188	2.3
82.06557	1.3
83.04962	2.2
84.04489	0.5
84.08127	0.7
86.09701	3.0
91.05461	0.7
92.04991	0.3
93.05769	5.5
94.06552	10.6
95.04950	0.9
95.07326	0.6
96.04472	0.8
96.08099	0.6
98.06039	1.8
102.05514	1.3
105.03384	0.9
106.04173	1.5
106.06539	2.6
107.04939	0.7
108.08116	1.7
109.02850	0.7
109.06493	1.0
109.08837	0.4
109.94950	0.3
110.06002	1.0
111.06802	9.6
112.07619	1.9
116.07080	3.4
116.98605	0.3
118.06454	0.4
120.08072	0.4
121.10116	0.4
122.06008	1.9
124.07568	1.5
126.09099	0.5
128.07031	0.6
129.06927	0.4
131.04926	0.3
133.02829	11.3
133.05161	1.0
134.03650	2.6
134.05998	2.2
135.04404	0.4
136.07555	3.8
137.05943	1.2
137.08316	1.6
138.09119	11.9
139.09482	0.3
140.07027	0.4
141.06960	0.6
145.02829	0.4
151.06276	4.0
152.06108	0.4
152.07138	0.5
153.06938	0.8
154.08615	3.5
155.06752	0.6
155.09415	9.4
156.10176	0.3
159.06586	0.3
163.03757	0.3
164.04204	0.6
165.05444	2.8
165.06976	6.1
166.07565	0.6
167.08551	1.5
169.06451	0.7
172.09659	47.5
173.02408	0.5
173.10002	1.1
173.12804	1.6
177.05534	0.5
177.07054	0.9
181.06473	0.6
183.08034	3.7
185.04375	0.4
185.09178	0.3
191.03258	0.4
193.06450	2.6
194.07220	1.7
195.08055	2.4
197.05898	1.9
199.18100	0.6
201.12146	0.3
204.06558	0.4
205.04910	0.4
209.09552	0.6
210.09117	1.4
210.14783	0.3
211.07500	7.3
213.15103	0.3
216.12343	0.6
220.07542	0.7
221.05936	8.1
222.06252	0.5
225.09079	0.5
226.14394	0.9
238.08575	3.5
239.06995	7.9
239.09309	0.6
241.08553	0.4
249.05397	1.2
253.08626	2.2
256.09689	0.4
267.06503	3.6
272.14944	1.4
281.07965	0.4
285.07504	0.6
298.10922	0.7
298.16412	0.5
299.08966	0.4
316.12137	6.9
316.17487	100.0
317.08301	1.1
317.11896	2.8
317.17889	3.1
328.76105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05502	4.8
55.69989	0.3
56.05029	4.6
57.03419	0.4
57.07071	2.5
58.02960	0.3
60.04517	100.0
60.64217	0.3
61.04857	0.6
67.05497	7.8
68.05012	0.6
69.07056	5.4
69.88888	1.1
70.06580	0.8
71.08620	1.1
72.04504	2.1
73.02911	0.5
74.06068	2.2
79.05486	3.6
80.05019	1.0
81.03411	0.3
81.07041	7.0
82.06564	1.2
83.08610	3.0
84.08148	0.4
86.06055	0.7
87.04455	0.8
89.56754	0.3
90.05539	1.2
91.05486	2.4
93.07024	2.6
94.06561	0.7
95.04958	0.7
95.08595	6.1
96.08107	0.7
97.06526	0.6
97.10136	1.8
98.06053	0.5
98.13524	0.3
100.07604	0.7
105.07008	1.0
107.08574	1.8
108.08112	0.3
109.10120	2.5
112.07594	0.5
114.09158	0.5
119.08559	1.2
121.10141	1.8
123.11685	1.2
133.10088	0.7
135.11670	1.0
137.13239	0.6
147.11707	0.4
149.13235	0.4
169.31514	0.3
245.22705	0.3
250.25261	0.9
262.25269	1.9
263.23499	0.4
268.26306	0.7
280.26303	12.2
281.26749	0.7
298.27353	11.4
298.30801	0.4
299.27686	0.6
306.98169	0.3
316.28412	31.8
317.28769	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.21061	0.5
55.05508	5.1
56.05030	4.7
57.03426	0.9
57.07063	2.0
57.16681	0.6
57.18344	0.6
60.04519	100.0
61.99750	0.7
67.05496	7.5
68.05042	0.7
69.07056	5.3
69.90931	1.6
70.06577	0.9
71.08646	0.9
72.04508	1.6
74.06071	2.1
79.05493	3.7
80.04978	1.0
81.07051	7.6
82.06569	1.5
83.08611	3.6
85.10210	0.5
86.06069	0.8
87.04425	0.8
90.05537	1.0
91.05481	2.7
93.07019	3.3
94.06544	1.0
95.08598	5.3
97.10159	1.6
105.07052	1.1
107.08566	1.5
109.10160	2.3
119.08603	1.1
121.10141	2.3
123.11728	0.9
133.10146	0.9
206.05353	0.8
250.25354	1.8
262.25211	1.9
268.26270	0.9
280.26346	12.5
298.27362	13.9
316.28418	33.4
317.28781	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34735	4.4
56.96548	5.9
57.13029	4.6
62.50653	4.7
70.11658	9.2
73.76381	5.4
78.05743	4.8
98.22813	8.6
98.97571	11.9
116.98586	7.2
145.05965	5.0
149.02385	6.9
161.77008	5.8
203.07892	5.1
215.02252	10.5
221.05092	5.7
257.03458	7.5
299.06143	7.2
317.06180	100.0
318.06882	5.9
332.38785	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	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01850	0.3
55.05502	0.2
65.03931	0.8
67.01821	0.2
67.05495	1.0
68.99786	0.5
69.03410	0.9
69.07054	0.5
70.06568	0.2
71.04981	0.8
71.42999	0.2
79.05481	0.7
81.03398	0.6
81.07046	0.9
83.04955	0.4
85.06522	0.6
90.90527	0.2
91.05470	0.6
92.02612	3.5
93.03391	2.6
93.07025	0.8
95.04968	0.7
95.08596	0.7
97.02895	0.4
104.56774	0.2
105.07008	0.7
107.04934	0.8
107.08556	0.6
109.02872	0.6
109.06504	0.3
109.10118	0.6
111.00758	0.5
111.04439	0.3
119.04929	0.3
119.08573	0.4
120.08098	0.2
121.02872	2.5
121.06506	0.5
121.10139	0.7
122.03658	0.3
123.04400	0.5
123.08059	0.3
123.11661	0.2
124.01571	0.3
126.03098	1.2
127.07516	0.3
129.07043	0.3
130.14200	0.2
131.04880	0.3
131.08559	0.3
133.02829	0.3
133.10081	0.3
135.04425	0.4
135.11646	0.2
137.02333	0.7
137.05994	0.4
139.03894	1.8
145.06396	0.2
145.08652	0.4
147.04346	0.4
149.02373	0.3
149.05942	0.4
149.09595	0.3
151.03925	1.6
153.01808	16.4
153.06958	0.4
154.02156	0.5
155.04890	0.2
155.08574	0.5
157.06541	0.3
157.10152	0.2
161.05992	0.3
162.03090	0.3
163.03915	0.7
165.01820	1.4
165.05443	0.6
165.06790	0.2
166.02596	0.4
169.06419	0.3
173.05978	0.4
175.03864	0.3
175.07646	0.2
177.05467	0.5
179.03340	0.5
181.05061	0.2
181.06474	0.4
182.07213	0.3
183.04407	0.2
187.03864	0.5
189.05458	0.4
190.02551	0.7
191.03423	0.5
193.04964	0.5
197.04263	0.2
200.04672	0.6
201.05446	1.8
203.03351	1.4
204.04111	0.3
205.04932	3.2
211.07545	0.7
213.09245	0.3
215.10477	0.3
217.04933	3.0
218.05704	1.2
218.35483	0.2
219.02844	0.8
225.05501	0.2
227.10597	0.3
228.04158	3.5
229.04930	7.4
230.05479	0.6
231.02824	1.3
231.06395	0.3
239.03386	0.4
239.06956	0.3
243.06477	0.3
245.04428	4.0
246.05176	3.2
256.03632	0.8
256.07199	0.2
257.04401	4.5
257.07382	0.3
257.08289	0.2
257.11526	0.2
258.05023	0.3
260.03134	0.9
261.07520	0.5
271.06409	0.4
271.09576	3.0
273.03900	3.5
274.04648	6.8
284.03119	0.8
285.03888	7.5
286.04297	0.5
287.01822	0.3
288.06323	0.3
299.05548	0.4
299.09027	3.2
299.12234	0.4
301.03430	0.3
302.04156	21.2
303.04343	1.0
317.06503	100.0
318.06845	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	317.0653
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.05494	0.5
56.96558	0.4
67.05494	0.5
69.39217	1.4
69.88717	0.4
79.05473	0.6
81.03392	0.5
81.07027	0.9
92.02608	0.8
93.03387	0.5
93.06998	0.6
95.08588	0.5
98.22854	1.2
105.06993	0.6
107.08566	0.6
109.10141	0.4
110.03642	3.1
119.04910	0.3
119.08528	0.4
121.06489	0.4
121.10102	0.3
122.03671	0.4
136.01532	1.6
137.02328	6.0
137.03378	0.6
147.57053	0.4
153.01830	2.7
166.02596	0.4
190.02582	0.8
192.04051	0.6
193.01265	0.9
197.04216	0.4
200.04648	3.0
204.04172	1.6
205.04971	3.2
215.03436	0.6
217.04939	1.2
218.05743	0.7
228.04135	9.1
229.04935	5.5
231.02905	0.4
243.06575	0.5
245.04436	3.9
246.04985	0.9
254.92737	0.4
256.03711	1.4
257.04431	3.1
257.08051	0.6
271.09604	1.0
273.03943	2.2
274.04700	10.1
275.05054	0.6
281.08035	1.2
285.03882	3.9
298.29999	0.3
299.09171	1.8
299.12454	0.5
301.03381	33.1
302.04153	80.1
303.04510	3.5
317.06503	100.0
318.06827	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	317.0837
Annotation	2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile
Peak:m/z	Relative Intensity
66.09905	1.7
67.19160	2.0
70.04620	5.6
90.82295	1.9
116.04325	1.9
130.99753	1.7
285.24539	2.4
317.05017	11.9
317.08484	100.0
318.08966	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	317.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01874	6.9
55.05288	4.5
56.19070	3.4
56.96547	4.4
57.03427	5.1
61.02924	10.2
69.03416	20.3
70.06577	5.3
70.60372	7.9
79.05482	5.9
81.03397	12.6
81.07046	9.0
84.04462	4.7
84.08123	14.5
85.02893	72.7
86.09683	10.5
87.04443	5.5
87.48693	3.6
91.05482	13.9
93.07072	4.5
97.02869	15.8
98.97572	10.9
99.04469	4.5
106.06580	6.3
107.06886	9.2
109.02859	7.6
109.06499	7.1
116.98611	11.3
119.04922	15.7
119.78476	4.1
121.06467	30.8
127.03900	18.3
133.06525	5.2
134.34338	3.9
134.99641	5.7
137.05948	38.0
139.03920	7.5
145.04961	13.8
149.05913	8.6
151.07486	7.8
152.07082	8.9
153.07373	6.8
155.06985	52.5
156.10194	9.5
165.05482	9.2
175.07541	5.3
179.07018	9.9
180.08739	4.6
203.07021	9.0
235.19505	4.0
245.07968	4.9
274.97415	5.3
316.18436	3.7
317.04672	9.1
317.08188	100.0
326.84863	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	317.1382
Annotation	Magnolignan B
Peak:m/z	Relative Intensity
55.01859	2.1
55.05502	1.5
57.03405	1.0
61.02925	7.0
65.03922	3.2
67.05489	2.2
67.63209	0.8
68.99778	1.0
69.03422	4.4
69.07058	1.2
71.04997	1.2
73.02885	1.2
75.70027	0.8
79.05482	2.1
81.03397	1.4
81.07048	4.3
83.74669	0.9
85.02888	2.8
85.06559	0.9
91.05476	2.7
91.11484	1.1
92.02610	3.7
93.03391	4.4
93.07023	2.4
94.94672	0.9
95.04942	3.2
95.08601	2.3
97.02882	17.1
103.03934	3.4
105.03382	1.6
105.04464	1.3
105.07008	3.3
107.04940	42.7
107.05672	2.0
107.08575	1.7
109.02856	1.2
109.10152	1.1
111.04436	1.8
111.53831	0.8
115.05437	2.1
117.06998	2.0
119.04903	1.8
119.08566	2.4
121.02859	14.8
121.06496	1.8
121.10104	1.0
123.04420	1.7
125.63904	0.9
126.03092	1.7
128.06192	1.6
129.06984	3.5
131.04871	1.6
131.08565	3.4
133.06485	3.9
135.11714	1.4
139.03885	1.5
141.06963	7.8
142.07791	1.1
143.08525	1.8
144.05739	1.3
145.06482	7.6
145.10048	1.3
147.04385	3.8
147.07996	1.0
149.05957	1.1
151.03897	3.9
153.01811	20.0
153.06978	1.8
155.08548	2.8
157.06493	3.8
157.10126	3.8
159.04439	1.3
159.08018	11.2
160.05167	1.7
161.05951	10.6
165.01840	1.9
165.06981	2.8
168.05591	1.3
168.09286	1.2
168.14943	1.0
169.06435	8.9
171.04327	1.1
171.07996	1.6
172.08859	2.1
173.05988	6.8
174.06683	1.8
175.03896	1.2
175.07550	3.4
175.11089	1.9
177.05441	2.8
179.03395	2.0
181.06474	3.2
182.07181	2.0
183.04459	1.0
183.07979	3.3
183.11728	2.4
184.05164	6.3
184.08882	2.3
185.05959	41.1
185.09563	2.2
186.06686	5.8
186.10321	1.6
187.03908	1.1
187.07530	15.5
187.11121	5.6
188.08313	5.4
189.05493	2.3
189.09123	2.3
190.02608	2.2
193.04913	3.4
193.10092	2.2
195.08078	1.7
196.08801	4.4
197.04408	1.7
197.05951	6.8
198.06699	1.7
199.07513	7.8
199.11172	2.2
200.04692	1.8
200.08287	2.9
201.05493	3.1
201.08987	2.4
201.12679	2.2
203.03464	1.9
203.10658	43.5
204.11028	1.4
205.04897	6.7
209.06046	1.9
209.09557	1.0
210.06801	2.5
211.05923	2.9
211.07648	6.1
211.11070	6.5
212.08286	9.7
213.05441	3.7
213.09006	3.7
214.06274	2.6
214.09830	2.0
215.06987	3.3
215.10693	6.8
217.04918	4.2
223.11049	1.2
224.08266	2.0
225.09093	2.0
225.12769	1.5
227.10635	73.7
228.04201	6.8
228.07770	1.6
228.10966	4.9
229.04906	7.9
229.12196	21.5
230.12614	1.6
231.06512	1.1
231.10249	1.4
238.09833	1.6
239.07019	3.2
239.10547	10.1
241.08632	1.8
241.12209	3.4
243.10153	2.8
245.04475	4.9
246.05209	3.4
253.08340	1.3
253.12288	8.5
255.10085	4.5
256.03583	1.2
256.10950	1.3
257.04419	5.8
257.11697	39.3
258.11963	1.6
266.09073	1.1
269.11649	3.2
271.09677	1.4
271.13342	2.2
273.03967	3.9
273.11130	1.9
274.04715	7.6
275.08792	1.3
281.11722	12.6
285.03934	8.9
287.12723	5.2
289.10602	1.2
299.09036	3.1
299.12781	14.6
301.03391	5.3
302.04144	26.5
303.04492	1.4
317.06509	100.0
317.09848	5.0
317.13785	39.7
317.16998	1.6
318.06952	7.8
318.14038	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	317.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.1
57.03436	3.5
57.07065	2.7
67.05490	10.1
68.86859	2.3
69.07059	3.4
70.06561	1.7
79.05486	5.9
81.03413	18.1
81.07054	11.3
83.04950	2.0
91.05470	5.4
93.07040	5.0
95.04956	27.3
95.08598	8.7
98.97610	3.0
105.07039	12.4
107.08605	5.8
109.06525	6.0
109.10126	3.9
119.08598	10.5
123.04404	3.5
123.08025	2.5
123.11707	14.7
123.86070	2.0
124.65538	2.0
131.08557	2.8
133.10130	6.5
135.08006	3.1
137.13254	4.5
145.10075	4.7
147.08047	2.7
147.11665	5.0
149.09685	2.0
159.11780	2.2
161.13293	4.4
165.12747	3.8
175.11165	2.4
175.14749	2.4
187.30281	1.9
192.82510	1.9
205.15894	4.5
273.40714	2.1
299.20001	4.3
317.20932	100.0
317.24704	14.1
317.32425	5.8
318.21072	6.2
318.24329	4.1
318.30042	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	317.2104
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03924	2.1
55.05498	5.4
57.03434	8.9
57.07074	5.0
60.04522	2.4
62.90176	2.1
63.36921	1.9
64.93324	2.5
67.05503	23.3
69.03411	3.8
69.07072	6.4
72.65970	2.1
78.14832	2.0
79.05492	4.6
81.03404	41.6
81.07042	21.4
83.04990	3.4
88.07637	4.1
91.05492	7.4
93.07035	9.5
95.04959	56.7
95.08594	12.4
99.08096	2.6
105.07004	12.7
107.08577	6.0
109.06499	11.4
109.10146	13.8
117.06973	3.1
119.08555	13.1
121.10137	6.2
123.04422	9.4
123.08054	7.6
123.11709	31.4
131.08609	3.2
133.10155	7.1
135.08037	4.7
137.13301	6.4
141.05421	2.9
145.06540	3.8
145.10126	4.0
147.08054	2.8
147.11693	4.8
157.10098	2.2
159.07925	2.2
159.11740	5.8
161.09648	2.7
161.13271	3.8
165.12759	7.7
173.13228	3.0
175.11096	2.1
175.14912	1.8
189.12662	2.1
195.17435	2.3
201.12802	2.1
205.15919	8.4
213.21771	1.8
218.78098	1.8
243.17470	3.4
256.26447	3.6
271.20645	2.6
281.18936	3.7
299.19949	10.7
317.20969	100.0
317.24774	13.5
317.32449	8.9
318.21014	4.4
318.24207	6.5
318.30090	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	317.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.05257	0.5
55.05504	4.7
56.05021	0.6
57.03467	0.3
57.07068	8.7
58.06584	1.5
59.04988	1.9
60.04517	4.5
61.04848	0.5
61.19872	0.3
65.03918	0.7
67.05495	18.2
68.05021	0.6
68.05818	0.4
69.03429	1.8
69.07053	2.5
69.78694	1.1
70.06583	16.4
71.04963	1.0
71.08616	2.5
72.08148	0.5
74.06085	0.3
77.03893	0.4
79.05476	4.0
81.03415	0.5
81.07045	10.1
82.86310	0.3
83.04960	0.9
83.08598	1.0
84.08120	0.4
85.02886	0.4
85.06535	1.2
85.10166	1.1
88.07617	22.7
91.05460	4.7
93.07034	5.6
93.83411	0.3
95.04951	9.2
95.08586	7.7
97.06514	2.0
98.23368	0.5
102.09164	13.2
105.07012	5.2
107.04903	0.6
107.08578	13.1
107.38888	0.4
108.08958	0.3
109.06504	6.6
109.10137	33.2
110.10476	0.4
111.08048	0.7
117.07021	1.8
119.08562	19.8
120.08843	0.5
121.06499	1.9
121.10139	2.2
122.07222	0.5
123.08047	8.3
125.05956	0.9
125.09616	0.4
125.86371	0.4
129.06924	0.4
130.07756	0.4
131.08524	2.5
131.32080	0.4
132.10176	0.8
133.06451	1.5
133.10121	2.1
135.08025	3.1
135.11684	0.6
137.05949	0.9
137.09596	23.5
138.09937	0.4
139.07463	0.5
143.08533	1.2
145.10100	2.5
146.11758	0.7
147.08037	1.9
147.11678	1.6
149.09630	2.1
150.11266	0.5
151.07516	21.7
152.07872	0.5
153.05411	2.3
153.09038	0.5
155.08504	0.6
156.09341	1.2
157.10117	1.3
159.08052	0.9
159.11659	1.9
161.09593	3.1
161.13217	0.8
163.07532	0.7
163.11186	1.9
165.09059	2.5
167.07042	1.2
169.10123	0.7
171.11661	2.0
173.09593	1.0
173.13206	1.5
174.10397	0.6
175.11096	1.1
177.09084	0.9
179.10687	0.4
181.08583	1.5
181.10020	0.4
181.12198	1.1
183.11656	1.1
185.09579	0.5
185.13144	0.4
187.11153	0.7
189.12708	9.3
191.10617	0.5
195.11777	0.6
197.13206	0.6
199.11137	1.1
200.29413	0.4
201.12740	0.7
203.14287	0.7
207.05975	0.4
207.11838	0.3
207.13759	8.1
208.14108	0.5
211.14804	0.4
212.23708	1.0
215.14294	1.2
219.13736	0.4
221.15234	1.6
225.12741	0.5
229.74139	0.4
231.13809	0.6
233.15334	0.8
237.14752	1.6
243.13770	3.7
256.26315	41.9
261.14835	1.6
281.19034	0.9
281.26657	1.1
299.19998	3.3
299.27658	0.6
300.29019	3.0
317.21057	23.4
317.28662	2.2
318.22321	1.9
318.29965	100.0
331.14066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.05257	0.5
55.05504	4.7
56.05021	0.6
57.03467	0.3
57.07068	8.7
58.06584	1.5
59.04988	1.9
60.04517	4.5
61.04848	0.5
61.19872	0.3
65.03918	0.7
67.05495	18.2
68.05021	0.6
68.05818	0.4
69.03429	1.8
69.07053	2.5
69.78694	1.1
70.06583	16.4
71.04963	1.0
71.08616	2.5
72.08148	0.5
74.06085	0.3
77.03893	0.4
79.05476	4.0
81.03415	0.5
81.07045	10.1
82.86310	0.3
83.04960	0.9
83.08598	1.0
84.08120	0.4
85.02886	0.4
85.06535	1.2
85.10166	1.1
88.07617	22.7
91.05460	4.7
93.07034	5.6
93.83411	0.3
95.04951	9.2
95.08586	7.7
97.06514	2.0
98.23368	0.5
102.09164	13.2
105.07012	5.2
107.04903	0.6
107.08578	13.1
107.38888	0.4
108.08958	0.3
109.06504	6.6
109.10137	33.2
110.10476	0.4
111.08048	0.7
117.07021	1.8
119.08562	19.8
120.08843	0.5
121.06499	1.9
121.10139	2.2
122.07222	0.5
123.08047	8.3
125.05956	0.9
125.09616	0.4
125.86371	0.4
129.06924	0.4
130.07756	0.4
131.08524	2.5
131.32080	0.4
132.10176	0.8
133.06451	1.5
133.10121	2.1
135.08025	3.1
135.11684	0.6
137.05949	0.9
137.09596	23.5
138.09937	0.4
139.07463	0.5
143.08533	1.2
145.10100	2.5
146.11758	0.7
147.08037	1.9
147.11678	1.6
149.09630	2.1
150.11266	0.5
151.07516	21.7
152.07872	0.5
153.05411	2.3
153.09038	0.5
155.08504	0.6
156.09341	1.2
157.10117	1.3
159.08052	0.9
159.11659	1.9
161.09593	3.1
161.13217	0.8
163.07532	0.7
163.11186	1.9
165.09059	2.5
167.07042	1.2
169.10123	0.7
171.11661	2.0
173.09593	1.0
173.13206	1.5
174.10397	0.6
175.11096	1.1
177.09084	0.9
179.10687	0.4
181.08583	1.5
181.10020	0.4
181.12198	1.1
183.11656	1.1
185.09579	0.5
185.13144	0.4
187.11153	0.7
189.12708	9.3
191.10617	0.5
195.11777	0.6
197.13206	0.6
199.11137	1.1
200.29413	0.4
201.12740	0.7
203.14287	0.7
207.05975	0.4
207.11838	0.3
207.13759	8.1
208.14108	0.5
211.14804	0.4
212.23708	1.0
215.14294	1.2
219.13736	0.4
221.15234	1.6
225.12741	0.5
229.74139	0.4
231.13809	0.6
233.15334	0.8
237.14752	1.6
243.13770	3.7
256.26315	41.9
261.14835	1.6
281.19034	0.9
281.26657	1.1
299.19998	3.3
299.27658	0.6
300.29019	3.0
317.21057	23.4
317.28662	2.2
318.22321	1.9
318.29965	100.0
331.14066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
51.51034	2.2
52.03442	2.7
54.49857	2.1
55.05500	3.0
65.03931	2.3
65.48479	2.2
67.05489	3.5
69.03413	2.9
69.07024	4.4
69.71271	9.2
70.06547	2.1
78.02510	2.4
79.05478	3.5
80.17337	2.3
81.07056	4.4
91.05475	7.7
93.07038	12.1
95.04956	100.0
95.08596	5.9
98.22740	4.7
98.97579	4.7
105.07013	10.9
107.08580	17.5
109.06527	2.9
116.98606	4.2
119.08561	5.4
121.06483	7.0
121.10136	21.9
121.15195	2.1
123.11737	4.7
131.08543	7.9
133.10124	3.0
135.08078	2.5
147.11618	3.0
149.09613	9.3
150.96864	2.5
159.08046	15.3
167.10670	38.7
175.11128	4.5
177.09129	5.1
189.55365	2.0
204.73193	2.0
205.19615	2.3
215.14391	2.4
216.35068	2.5
233.15355	5.7
259.16824	3.5
288.91977	5.2
299.19989	6.7
317.08218	8.5
317.14178	2.5
317.21066	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	318.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83017	3.7
56.96552	16.4
70.06587	55.4
70.64199	7.3
72.08140	6.4
73.33369	3.8
79.05509	5.0
84.08125	11.4
85.02894	5.4
86.09694	5.8
86.57093	3.5
97.02902	7.0
98.97569	26.5
101.00862	13.8
115.02363	5.8
116.98608	18.7
119.01903	34.4
120.01955	4.6
121.06509	4.9
129.10201	7.7
129.58353	3.8
131.01883	13.2
131.05516	9.2
132.02092	4.8
133.03496	19.7
134.99646	8.7
143.01877	8.9
145.03471	8.3
146.03563	9.6
149.02345	14.9
149.06554	7.6
150.02675	9.0
155.01868	9.1
156.02046	6.3
157.03493	5.3
161.02977	6.8
162.03032	6.2
171.05038	9.0
172.05237	6.5
173.02942	11.7
173.06584	17.1
174.03096	25.4
175.00850	14.7
175.04507	16.7
177.00967	4.1
178.00932	6.1
179.00667	5.0
186.03120	7.2
189.02457	6.7
192.04047	5.3
193.01917	4.9
199.04492	40.4
200.04631	6.4
204.02559	13.0
204.04271	6.8
205.02214	5.6
211.04790	4.6
216.04250	13.1
216.98703	5.0
217.01979	28.7
217.05528	68.3
217.98877	5.2
219.01932	6.5
220.01988	7.9
221.05096	7.5
222.05229	11.7
229.05576	10.1
232.96548	4.7
234.99678	4.5
235.02946	18.4
246.49257	5.5
252.04225	8.3
258.99850	7.9
259.02808	7.4
259.06659	9.6
263.02710	7.8
270.05240	5.9
272.06778	7.6
276.04474	4.3
277.00821	10.6
277.04083	14.5
288.06296	7.3
292.11517	8.3
294.99243	4.5
300.06235	25.5
301.05951	5.7
313.00098	4.5
318.06839	100.0
319.06686	13.6
319.10193	30.7
319.13220	9.1
336.08514	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	318.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85025	5.0
56.26482	5.7
56.96547	15.8
57.87482	5.0
69.53619	21.2
70.06580	19.6
72.08150	15.8
73.00291	5.4
84.04431	7.7
84.08114	14.8
85.02888	11.1
86.09695	10.4
86.88092	5.0
97.02844	7.9
98.97573	16.5
116.98660	11.0
129.10231	6.5
132.83983	5.7
132.88074	5.0
137.05994	6.0
138.09140	8.8
156.10181	22.0
178.00940	9.8
194.93285	6.2
199.04478	12.0
204.02605	13.7
208.02730	6.9
217.05475	15.9
220.02414	6.4
266.55234	5.6
276.04797	8.4
277.00665	7.6
294.05838	6.5
295.05875	6.2
298.52249	7.3
304.91696	5.4
318.02475	9.1
318.06509	100.0
318.12494	8.3
318.15479	7.9
319.06161	20.4
319.09866	14.8
319.13486	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1333
Annotation	Crinamidine
Peak:m/z	Relative Intensity
55.01852	1.0
55.05480	0.5
56.04991	0.4
62.26524	0.4
67.05481	1.1
68.05000	0.8
69.07043	0.8
70.06582	16.2
71.04964	0.4
71.06907	0.5
71.44317	0.6
72.08141	0.4
79.01807	0.6
79.05480	1.3
81.03366	0.7
81.07021	1.3
83.04944	0.5
86.09699	2.3
91.05466	6.3
93.07001	1.8
94.33606	0.4
95.04939	1.3
96.04500	0.5
97.02883	2.0
99.04417	1.0
103.05427	1.2
105.07022	3.0
107.04935	1.0
107.08606	0.5
109.02845	0.9
117.06973	0.6
119.04884	0.5
120.08083	2.2
121.06493	1.1
123.04440	0.7
124.07570	0.6
129.06987	1.4
130.06485	0.4
131.04956	0.4
131.08487	1.0
132.08020	0.6
133.02847	0.5
133.06453	0.6
134.05977	1.0
134.09634	5.8
135.04382	1.0
135.10370	0.5
136.07552	1.3
137.05896	0.6
139.42065	0.4
141.06967	0.7
143.08542	0.4
144.08055	0.9
146.06004	0.4
146.09645	0.6
147.07945	0.5
148.07550	1.5
148.11179	0.5
150.05449	1.8
151.03851	0.6
151.06221	1.0
152.07054	3.6
156.08090	0.4
157.06456	0.9
158.09547	2.1
159.10364	0.7
160.07506	0.6
160.11191	4.4
161.05923	0.5
162.09134	1.1
164.07068	0.6
166.04971	0.6
166.08604	0.7
170.09625	1.2
172.11192	1.7
174.05544	0.5
174.12634	0.5
178.08595	0.6
182.09554	0.6
184.11192	1.2
186.09166	0.6
186.12799	0.5
186.14865	0.7
187.07526	0.5
188.07086	0.6
196.11140	1.5
197.11685	0.5
198.09071	0.7
200.10623	0.7
202.10703	0.8
202.12303	1.8
204.10106	0.8
208.11172	1.3
209.09776	0.4
210.12709	1.6
212.10681	1.9
214.12225	1.2
215.09404	0.5
220.11218	1.2
222.09148	1.1
226.12061	0.6
228.10175	1.3
228.13763	1.5
230.11719	87.7
231.12097	3.8
236.10651	1.2
238.12210	1.9
240.10121	5.1
241.10777	0.7
242.11707	2.4
254.11740	4.7
256.13275	14.4
257.13745	0.9
258.11230	9.0
259.12045	2.5
264.10226	1.0
272.12823	0.7
273.12366	0.5
274.14307	1.8
276.12259	33.5
277.12610	2.2
282.11240	3.0
300.08826	0.9
300.12271	17.1
300.17630	0.7
301.12170	1.5
318.13300	100.0
318.18518	3.9
319.13516	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	318.1332
Annotation	Ungiminorine
Peak:m/z	Relative Intensity
55.01873	0.5
62.11171	0.3
65.87041	0.4
66.09740	0.4
67.05474	0.7
68.05025	3.2
69.05807	1.2
69.57645	0.8
69.58001	0.6
70.06578	100.0
70.19206	0.4
71.06907	1.1
79.02813	0.4
79.05495	2.4
80.05017	1.1
81.07036	2.0
83.01335	0.4
86.09714	0.6
91.05456	1.9
93.07028	2.2
95.04955	1.0
97.02867	0.5
103.05406	0.7
105.04465	0.5
105.07020	1.4
106.06522	3.1
107.04925	1.2
107.08617	0.4
108.08102	0.7
109.02871	0.4
114.05493	0.4
115.05413	0.3
118.06514	0.8
119.04938	0.5
120.08078	1.4
121.06487	1.7
122.06044	0.4
124.07618	0.7
129.06990	1.5
130.06516	0.5
131.04955	0.4
131.08496	0.8
132.04439	1.0
132.08049	0.9
133.05272	0.7
133.06371	0.4
134.05978	7.5
134.09625	3.6
135.04393	0.5
136.07549	0.6
141.06996	1.8
146.06024	0.6
146.09595	0.5
148.07558	2.6
149.05942	0.6
150.05473	1.4
150.12764	0.7
152.07002	1.7
155.08514	0.4
157.06511	0.4
158.09602	0.6
159.09160	1.0
160.07501	0.5
162.09087	0.7
164.07076	0.4
167.08517	0.5
169.06465	0.7
182.63168	0.3
184.11295	0.5
185.10663	2.9
185.37776	0.4
186.09024	0.4
187.07616	0.4
188.10638	0.4
191.08517	0.5
194.08107	0.6
196.11021	0.6
202.12201	1.1
203.11726	1.3
204.10181	0.7
205.13326	0.9
208.11241	0.6
212.10625	0.9
214.12251	1.4
221.08167	0.4
222.09082	0.6
222.11070	0.4
230.11711	42.7
231.11908	1.7
232.13251	1.0
236.10701	3.2
240.10109	2.5
241.10875	1.3
251.43425	0.4
254.11746	3.5
256.13245	0.8
258.11234	4.5
259.11850	1.4
264.10135	0.7
274.14145	0.6
276.12247	26.2
277.12582	1.2
282.11246	1.9
283.17984	0.6
300.12256	12.8
301.12503	1.0
301.18890	1.8
318.13287	71.3
319.14059	3.7
319.20074	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	318.1335
Annotation	Phthalazinone pyrazole
Peak:m/z	Relative Intensity
50.46165	0.5
52.17723	0.5
55.01834	0.7
56.04993	1.4
56.96539	2.3
57.03424	0.6
60.04493	2.6
67.05470	0.8
69.03396	1.1
70.06587	25.3
71.06888	1.0
71.41203	0.7
72.08152	5.2
79.05477	8.0
81.03388	1.2
81.07040	1.1
82.06543	1.0
84.04496	3.2
85.02902	3.6
86.09703	7.6
91.05441	1.6
93.07034	3.8
93.59914	0.7
94.06541	1.1
95.00643	0.6
95.04973	3.9
95.08564	2.5
96.04475	0.9
96.08124	4.1
97.02840	1.6
97.06467	1.0
98.97557	2.3
103.05415	1.1
105.06989	1.3
106.06512	1.5
107.04917	2.6
108.08073	0.9
109.02836	0.8
110.06031	0.7
110.97572	0.7
116.98558	1.5
119.04861	1.0
121.06430	2.3
122.09664	4.0
123.03670	0.5
123.04440	4.1
124.05192	0.5
124.07568	5.9
129.06923	1.8
131.04889	1.3
133.02814	3.1
134.05949	1.0
135.04346	1.1
138.05524	0.7
138.09122	4.9
139.07422	1.0
141.06987	1.0
143.11699	1.2
147.04320	1.5
149.02357	1.0
149.05933	1.4
151.03857	2.1
151.06297	0.8
152.05943	0.9
152.07059	10.4
153.07883	0.8
155.08539	1.1
156.08916	0.7
156.10176	13.1
157.04955	1.3
157.06416	0.8
162.09151	3.6
165.06918	0.9
166.08600	2.3
167.08415	0.8
169.06395	0.8
178.07710	1.3
179.08437	1.0
180.10217	3.6
181.10098	0.7
185.16408	2.9
197.09305	0.8
198.11221	5.3
206.37335	0.7
208.11136	1.4
209.09576	2.5
210.09131	0.7
210.80591	0.6
211.07430	0.8
217.03651	0.7
220.07481	0.8
226.12193	1.1
236.10661	0.8
238.08641	1.1
254.11737	4.0
260.09009	0.7
276.07443	0.8
300.14511	0.6
302.10345	0.7
318.07208	2.5
318.13168	100.0
319.06845	1.0
319.13239	8.5
337.07788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05498	0.6
56.05011	0.5
57.03415	1.5
59.84304	0.4
60.04518	0.5
61.02910	1.6
67.05493	0.8
68.04988	0.5
69.03413	3.2
69.07053	0.7
69.52889	1.7
70.06568	0.8
71.04974	1.8
72.08124	0.5
73.02924	0.5
75.04462	0.4
79.05487	0.6
81.03402	1.6
81.07053	0.8
82.06548	1.6
83.05003	0.5
83.07340	4.8
84.04485	2.4
85.02888	6.4
86.09686	1.1
87.04447	0.6
89.99038	0.5
91.03929	0.8
91.05470	0.7
93.07024	1.4
95.04949	0.4
95.07339	1.1
95.08572	1.6
96.04465	2.8
96.08117	3.4
97.02879	3.8
97.05275	2.6
97.06510	1.3
99.04431	0.7
100.07577	1.2
108.08115	0.8
109.02845	1.0
109.06509	0.8
110.06007	6.7
110.09655	3.8
111.04388	0.4
111.08038	1.1
113.05981	1.1
113.08369	1.8
114.09161	0.4
120.02618	0.4
120.08070	1.1
121.06487	2.5
124.07567	0.5
125.08302	1.0
126.09132	7.2
127.03899	1.6
127.07446	0.7
130.04984	3.4
130.06458	0.6
130.08620	0.8
137.02306	0.5
138.09116	21.1
139.03867	5.4
139.07523	1.7
139.09863	0.6
140.10660	1.8
145.04932	0.7
145.08600	1.1
146.06007	0.9
147.07564	1.5
152.55273	0.4
156.10175	100.0
157.10632	2.7
159.11308	0.5
163.03842	0.5
168.10219	1.0
173.12825	0.8
174.11232	29.6
175.11642	0.7
180.10225	1.0
186.01643	0.4
191.03358	2.2
196.07570	0.7
198.11200	0.8
203.13313	0.4
222.11302	0.6
224.06955	0.5
231.07578	0.9
242.10263	0.5
270.07559	1.1
274.16351	0.7
277.12921	1.8
301.11533	0.6
302.12457	1.1
310.89636	0.5
318.15710	2.1
318.19040	31.3
319.07822	0.4
319.15179	1.5
319.19366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10300	2.0
55.01880	2.3
57.03429	8.1
61.02930	12.5
64.04412	2.0
69.03415	19.4
69.55522	7.8
70.06579	14.8
70.12729	2.2
72.08156	9.0
74.06089	2.2
74.89099	2.3
79.05487	3.1
81.03424	8.8
82.06555	3.2
84.04462	2.2
85.02898	100.0
85.03415	5.3
86.61072	2.0
91.03947	8.3
91.05487	6.1
93.07019	5.6
97.02879	22.2
99.04443	4.8
99.94987	2.3
103.05432	2.8
109.02876	8.9
113.08395	9.4
116.98614	2.4
121.06490	82.4
122.06837	4.0
124.07603	2.8
127.03912	19.5
129.06990	2.3
133.02927	2.8
145.04944	37.6
145.06192	4.1
145.06485	3.8
146.06071	2.6
150.02577	2.2
152.07095	2.7
159.08032	3.3
163.06018	5.6
166.08585	4.5
174.11234	36.1
179.07059	2.9
187.07507	15.0
195.87178	2.1
201.12415	2.9
205.08624	9.0
219.77872	2.3
229.08572	4.7
247.09708	5.3
254.11925	2.9
265.10703	3.2
318.08896	3.6
318.13333	35.4
318.19049	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97685	2.2
53.03931	3.1
55.01855	3.3
55.88493	2.2
56.96545	2.5
57.03423	4.0
59.25894	2.2
60.04520	3.1
61.02914	11.7
69.03418	20.0
69.53116	4.0
69.53500	4.1
71.05004	2.1
73.02895	4.0
79.05466	3.1
81.03392	9.6
84.04486	2.7
85.02891	100.0
86.09657	4.1
86.77150	2.3
87.04471	2.5
91.03936	5.5
93.07005	5.8
95.08577	4.1
96.08087	2.5
97.02874	32.3
99.04442	5.1
109.02851	6.4
116.98617	3.6
121.06484	73.6
127.03886	22.1
138.09091	8.8
139.03868	5.2
145.04944	30.9
145.06142	3.1
156.10172	23.6
162.09007	3.0
163.05995	5.9
167.97762	2.3
169.02522	2.4
177.05676	2.5
180.08649	11.7
187.07440	10.2
205.08626	8.5
229.08638	4.0
247.09610	2.9
265.10510	3.2
318.08838	3.8
318.15619	10.4
319.13568	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46061	1.8
52.35507	1.7
53.03955	3.5
55.01868	2.3
57.03434	5.6
59.53072	1.6
61.02919	13.6
65.45356	1.8
68.05057	1.6
69.03419	20.0
69.28891	10.1
70.06603	2.6
71.05000	2.0
73.02912	4.7
77.95725	1.7
81.03416	9.0
83.01360	1.8
85.02897	100.0
86.03236	2.1
86.09718	1.5
87.04454	1.9
91.03960	6.8
91.05475	4.2
93.07041	5.4
95.04960	2.0
97.02876	21.2
98.23517	1.8
98.64281	1.7
99.04441	2.4
103.05495	3.6
109.02885	8.2
113.08392	5.3
121.06494	78.2
122.06862	2.9
127.03905	22.2
145.04950	32.1
145.06165	2.5
145.06401	1.7
157.06453	2.2
159.08008	2.5
163.06038	5.3
169.06476	1.9
174.11244	26.0
175.07610	2.8
179.07060	3.1
180.08656	3.4
182.10934	2.0
185.06113	1.9
187.07571	16.5
187.74005	1.8
188.59700	1.6
205.08588	8.8
214.41248	1.9
229.08492	4.1
235.79120	1.7
247.09682	5.4
265.10645	2.9
318.13016	2.4
318.19049	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	319.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	18.5
66.01418	6.4
70.06591	6.8
72.08136	6.7
73.52068	5.8
84.08167	6.0
84.47210	5.7
98.97590	21.2
101.00877	8.9
109.02866	8.6
119.01903	13.8
131.01930	8.5
131.05519	20.2
149.06592	18.6
157.03474	9.4
158.99670	6.6
173.06580	30.0
175.02756	10.0
175.04456	17.6
191.07741	7.8
193.12692	6.1
196.07535	6.2
199.04495	62.9
210.09207	7.0
211.04439	10.9
217.03644	11.5
217.05550	100.0
220.07518	9.4
229.05521	9.2
235.06721	7.9
236.95830	7.9
238.08565	12.5
262.59351	6.4
319.08054	53.8
319.12833	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30659	0.7
55.00249	0.9
56.96564	4.4
58.06580	0.8
60.95828	0.9
69.57171	3.1
70.06569	1.6
81.03405	1.7
82.99847	1.1
84.08160	1.0
95.03461	0.8
95.04938	1.5
97.02885	0.9
98.97593	2.9
99.04438	1.8
101.00866	10.9
103.00616	1.4
103.02412	1.1
110.07152	1.0
113.00847	1.9
113.04470	1.1
115.02415	2.0
116.98587	2.1
119.01900	16.3
121.01665	1.6
122.05973	1.1
124.77399	0.8
128.98586	1.0
129.02222	1.9
129.03955	1.4
131.01910	3.1
131.05521	12.1
133.03506	6.2
137.02921	1.8
139.02336	1.4
143.01860	4.6
145.01642	1.4
145.03450	3.4
147.03191	1.0
147.05101	1.0
149.02983	1.4
149.06589	9.5
151.03850	1.7
155.01877	3.6
155.05505	3.6
156.81795	0.8
157.03476	6.0
157.04605	1.2
161.02945	5.9
163.02724	1.2
165.06950	1.7
167.08505	1.5
171.01372	2.0
171.03651	1.2
171.05019	6.9
173.01224	2.4
173.02972	4.6
173.04962	1.1
173.06577	23.6
175.00920	6.4
175.02740	4.2
175.04463	14.9
177.00676	1.0
181.03398	3.0
183.05019	1.3
183.08093	1.5
185.06616	2.1
187.04488	1.1
189.02370	4.5
191.02122	1.4
191.03932	0.9
191.07643	2.3
193.01947	1.5
193.03789	1.5
193.05418	1.7
195.08060	1.4
199.04478	55.2
200.04630	3.6
203.04065	1.1
205.03796	1.0
210.09068	1.4
211.04471	6.0
211.07549	3.2
212.72798	0.9
217.02278	14.1
217.05547	100.0
218.05714	6.1
219.01935	1.1
221.05133	3.0
222.06047	1.6
223.01251	1.1
223.04895	1.5
229.03656	1.4
229.05626	9.3
231.03424	0.8
232.96526	0.9
233.05209	0.8
235.02921	7.9
235.06488	4.4
238.08530	1.5
239.06734	1.5
240.07108	2.6
245.04924	4.0
247.06682	4.2
253.43135	1.0
256.09653	1.2
259.02969	2.3
259.06708	10.3
273.06210	1.6
277.04034	5.2
277.07254	1.9
279.99435	0.9
291.07742	1.0
294.99338	1.1
295.05295	1.0
301.05688	4.7
301.11789	1.6
302.13666	1.0
319.01749	1.9
319.09763	43.0
319.13306	21.0
320.10052	1.9
337.08170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.102
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
55.01881	1.9
69.03412	4.0
69.73046	4.3
70.06581	3.3
83.04957	3.1
85.02895	7.5
97.02895	3.8
98.97610	5.3
106.95736	2.1
111.04444	16.4
116.07102	2.8
116.98573	2.5
127.03887	2.8
153.68498	2.0
157.04951	100.0
177.00732	2.8
184.71626	2.1
201.08710	2.6
238.08658	3.9
284.09064	2.5
301.12006	2.3
302.13614	3.0
319.13458	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05499	0.6
67.05480	1.1
69.03405	0.5
69.07057	0.6
69.26050	1.4
79.05484	3.2
81.07049	7.0
83.01305	0.9
91.05467	1.3
93.07037	2.4
95.04987	0.5
95.08603	0.9
97.06519	4.7
103.05500	0.4
105.07014	1.2
107.04935	0.8
107.08563	1.3
109.06492	2.3
109.10133	1.8
109.45782	0.3
115.33185	0.4
115.33936	0.4
115.57088	0.4
119.04840	0.5
119.08582	0.7
121.06500	3.6
121.10139	0.9
123.11658	0.5
124.65320	0.4
127.07536	0.9
127.65015	0.3
131.04918	1.3
131.08565	0.4
133.02821	4.0
133.10065	0.7
134.03630	0.8
135.11629	0.4
137.05954	0.8
145.10092	0.4
147.04376	0.7
149.05923	2.8
151.03838	1.5
157.10123	0.4
162.03119	5.3
163.03708	0.6
164.21271	0.3
165.05392	1.3
171.11658	0.4
177.05449	3.6
177.74184	0.4
178.02634	1.3
179.03371	1.0
190.00833	0.4
190.02580	15.8
191.03294	3.0
193.04935	23.1
194.05270	0.7
195.08121	0.4
197.04443	0.5
205.04929	100.0
206.05315	3.7
210.31967	0.4
219.06567	0.5
227.07048	0.4
231.06523	0.7
273.11160	19.0
283.09454	0.7
301.10657	24.4
301.21658	0.6
302.10873	1.5
312.65259	0.4
319.11636	1.4
319.15234	0.9
319.22568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1172
Annotation	Albiflorin 1
Peak:m/z	Relative Intensity
55.01875	0.3
55.05499	0.4
56.25060	0.3
64.40343	0.3
67.05491	0.8
68.99776	0.4
69.07043	0.5
69.22350	0.3
70.59553	0.3
71.44393	0.3
79.05479	2.8
79.07544	0.3
81.07045	6.0
83.01335	0.7
84.19136	0.3
89.03934	0.3
91.05470	0.9
93.07038	1.7
95.04938	0.4
95.08590	0.7
97.06511	4.0
103.05492	0.4
105.07008	0.7
107.04954	0.5
107.08574	0.8
109.06499	1.3
109.10145	0.5
119.08576	0.4
121.06493	3.7
121.10151	0.4
127.07539	0.6
131.04944	1.3
133.02811	2.6
133.06470	0.4
133.10110	0.4
134.03584	0.8
135.04361	0.4
137.05983	0.8
147.04399	0.6
147.11588	0.3
149.02258	0.3
149.05966	2.4
157.10074	0.4
162.03104	5.8
163.03819	0.4
177.05469	2.3
177.16194	0.3
178.02623	1.5
179.06987	0.3
181.05035	0.5
190.02589	15.5
191.02963	0.6
193.04936	21.9
194.05289	0.9
199.03955	0.4
205.04930	100.0
206.05247	4.1
217.04932	0.4
219.06456	0.9
231.06525	0.5
241.08551	0.3
246.07515	0.5
248.04015	0.3
273.11169	21.5
274.11533	0.8
283.09610	0.8
301.10666	24.6
302.10938	1.1
319.11984	1.5
319.15021	0.4
319.22668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
56.96554	1.0
60.04515	0.5
64.48418	0.4
69.11430	0.4
70.06560	1.4
71.45637	0.4
79.05473	0.6
83.85944	0.5
85.02886	2.2
86.03224	0.7
86.09691	0.5
94.07362	0.4
95.05001	0.4
95.08602	0.6
97.02858	1.0
98.97565	0.7
99.04375	0.7
103.91306	0.4
111.04422	0.4
115.03955	0.6
116.98589	0.5
119.53558	0.4
121.06467	1.3
122.06791	1.0
127.03920	0.7
130.06534	0.7
138.09145	0.7
139.09491	0.9
145.04991	0.6
147.04341	0.7
156.10136	0.9
157.04942	7.1
157.08350	1.7
157.10504	1.9
159.15112	0.5
169.02516	0.6
173.00499	0.7
217.03865	0.5
238.08426	0.5
301.11774	0.5
319.13541	100.0
320.13898	4.0
337.07883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04957	7.0
57.05772	1.5
59.06058	0.9
60.05585	1.4
69.04485	0.9
69.32848	3.0
70.06565	3.3
83.06005	3.4
84.23090	0.7
90.80656	0.7
95.06004	3.1
98.07081	0.9
105.03298	1.1
105.05704	0.8
106.06465	1.6
111.05547	8.4
112.05027	1.1
112.08620	1.7
113.07131	5.3
118.06521	0.8
120.04435	4.8
123.05463	1.9
126.06631	4.2
127.07377	3.6
128.08127	1.0
132.04431	14.9
132.07971	1.6
134.06000	4.3
136.07535	1.6
137.04495	1.0
139.03831	1.6
140.08157	4.0
148.03847	1.5
150.04372	0.9
150.05455	8.6
151.03943	0.8
151.06154	8.6
162.05423	0.9
165.06558	1.4
174.05342	1.0
176.06972	2.2
178.29013	0.7
187.08685	5.7
189.06595	1.2
189.10132	0.8
191.03430	0.7
202.09698	4.1
203.08131	5.7
216.11420	1.0
227.09212	0.9
229.05005	0.9
230.09242	3.7
231.07611	31.6
232.07780	1.3
232.10770	2.2
233.09053	1.2
233.13939	8.7
234.12379	0.8
242.09175	3.1
246.08702	1.0
249.13435	1.0
257.10257	6.7
259.11871	29.0
260.10199	2.1
277.12921	100.0
278.13284	5.7
284.11404	6.0
301.14047	2.5
302.12436	60.3
303.12711	2.9
319.04523	2.6
319.15128	82.2
320.15503	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	319.2012
Annotation	Huperzine G
Peak:m/z	Relative Intensity
53.22942	0.3
55.05495	0.5
67.05480	2.0
68.05017	1.2
69.03424	0.3
69.07069	0.4
70.06580	43.7
70.77999	0.4
71.05003	0.4
71.06904	2.0
72.08148	0.4
72.22528	0.3
77.03944	0.3
79.05476	5.9
80.05007	1.0
81.07043	5.9
82.06618	0.4
83.08582	0.3
91.05472	2.6
93.07034	0.9
94.06550	0.6
95.04963	0.9
95.08600	0.8
96.08111	0.9
98.09690	0.5
104.04973	0.3
105.07006	1.0
106.06548	4.4
107.04935	3.4
107.08562	0.6
108.08098	3.8
109.06482	0.7
109.08967	0.3
111.54928	0.4
114.05441	0.3
115.19874	0.3
116.04980	0.7
117.05746	0.8
117.07012	0.4
118.06532	1.3
119.04951	0.4
119.08629	0.5
120.08065	1.5
121.06448	0.5
121.08868	0.3
122.09687	0.6
124.07679	0.3
129.07007	0.6
130.06502	1.1
131.08578	0.4
132.04425	0.4
132.08105	0.4
133.07562	0.3
134.05997	4.7
135.04410	1.0
135.09134	0.5
136.07669	0.4
138.12744	0.5
139.11073	0.3
145.10060	0.4
146.06032	0.7
148.07568	0.4
148.11174	0.4
149.06013	0.3
150.12747	2.4
152.07048	1.5
157.07631	1.6
157.08752	0.4
158.08331	0.4
158.09641	0.4
161.10701	0.6
164.06989	0.5
168.08015	0.4
175.12283	1.5
176.09435	0.9
185.10713	12.1
186.09126	1.0
186.11200	0.8
186.12799	1.4
203.11736	7.2
204.10208	3.0
204.12517	1.1
205.13322	3.0
214.12244	4.3
230.11700	0.7
231.12013	4.2
232.13284	6.0
237.11105	0.5
255.18513	0.7
257.13467	0.3
271.17917	0.6
273.19540	1.3
277.12592	1.9
283.11267	0.5
283.17963	3.7
301.12390	1.7
301.19022	11.4
302.19470	0.8
319.13690	7.3
319.20084	100.0
320.20416	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	319.2014
Annotation	Huperzine G
Peak:m/z	Relative Intensity
53.03952	0.2
55.01868	0.4
55.05500	0.5
56.05024	0.7
62.48198	0.2
65.03932	0.3
66.04704	0.4
67.05492	1.8
68.05022	1.1
69.07061	0.6
70.06580	54.4
71.04982	0.4
71.06909	1.1
72.68870	0.3
77.03905	0.3
79.05479	9.2
80.05005	1.8
81.07043	9.9
82.06567	0.4
82.07381	0.3
83.04971	0.5
83.07375	0.2
83.08603	0.2
83.70863	0.3
86.09685	0.9
91.05467	4.0
93.05784	0.8
93.07023	1.2
94.06554	0.9
95.04946	1.6
95.08584	0.4
96.04478	0.3
96.08096	1.8
97.07652	0.3
98.09677	1.1
104.05003	0.4
105.07024	0.7
106.06532	6.5
107.04931	5.1
107.07355	0.2
107.08596	0.6
108.08099	4.6
109.06528	0.6
109.08929	0.3
116.04941	1.7
117.05744	1.4
117.07023	0.4
118.06522	1.8
119.04929	1.1
119.08504	0.3
120.08086	2.8
121.06427	0.2
121.08928	1.2
121.10126	0.3
122.06001	0.3
122.09657	0.8
124.07574	0.6
126.09235	0.4
126.10261	0.8
129.06999	0.6
130.06494	1.6
130.64021	0.2
131.07182	0.2
132.04437	0.6
132.08064	0.5
133.07596	0.3
134.05991	6.3
134.09583	0.4
135.04411	2.0
136.07481	0.4
137.05919	0.4
138.09135	0.7
138.12776	0.8
141.06982	0.2
143.07285	0.3
143.08516	0.4
144.08049	0.7
145.02843	0.3
146.06029	1.2
147.06296	0.4
147.09120	0.5
148.07542	0.4
148.11230	0.5
150.12750	4.7
152.07031	1.9
156.08020	0.4
157.07587	2.0
157.08775	0.4
158.08386	0.7
158.09648	0.8
160.07521	0.5
160.09697	0.3
161.10692	0.4
164.07033	1.0
166.04984	0.8
167.07161	0.4
168.08052	0.8
168.13812	0.6
172.07591	0.6
174.05464	0.4
175.12340	1.0
175.65315	0.2
176.09398	1.1
177.05453	0.4
184.07510	0.2
185.10706	17.5
186.09161	1.5
186.11224	0.9
186.12747	1.4
188.07062	0.5
189.07356	0.5
194.04443	0.7
196.11214	0.3
197.11516	0.3
201.10220	0.3
203.11743	6.1
204.10410	1.3
204.12474	1.2
205.13358	1.3
206.10031	0.5
214.12242	7.3
215.12479	0.5
221.12889	1.2
226.11000	0.4
227.11703	0.4
230.11714	1.0
231.12070	4.3
232.13292	12.7
233.13634	0.4
241.10472	0.8
242.11209	0.2
243.07623	0.4
243.12030	0.5
255.11293	0.7
255.18471	1.2
257.13593	0.3
259.11517	2.0
260.12271	0.6
270.09943	0.4
271.10806	0.5
271.18088	0.3
272.11459	1.6
273.12302	1.4
273.19559	0.5
276.12402	0.2
277.12558	1.1
283.10916	0.8
283.14804	0.3
283.17981	6.4
284.18457	0.6
299.17184	0.2
301.12030	6.4
301.19046	19.4
302.12415	0.5
302.19376	0.9
319.14276	12.9
319.20084	100.0
320.13858	0.7
320.20425	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	319.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
67.05486	2.3
69.07047	1.0
69.15968	3.2
70.06580	40.2
70.80157	0.6
71.06901	1.5
72.72488	0.6
79.05479	6.0
80.04975	0.9
81.07040	7.4
91.05464	2.4
93.07024	1.4
95.04927	1.0
96.08110	0.9
98.20939	0.5
98.23486	1.4
106.06516	3.3
107.04935	2.6
107.08556	1.1
108.08109	4.6
116.04917	1.0
117.05770	0.7
118.06495	0.9
119.04908	0.8
120.08080	1.8
130.06516	1.0
131.64478	0.6
134.05991	4.2
138.12811	0.6
145.10069	0.6
146.06052	0.7
147.04323	1.3
150.12735	3.1
152.07059	0.9
157.07652	0.8
161.10628	0.6
168.08031	0.7
175.12282	1.4
176.09392	0.8
182.59593	0.6
185.10715	13.9
185.29613	0.5
186.09048	0.8
186.11235	0.7
186.12737	1.3
203.11771	6.1
204.10202	0.8
204.12431	1.0
205.13358	2.4
214.12262	5.7
232.13293	5.7
255.18468	1.0
273.19525	0.8
275.56848	0.6
283.17929	3.2
301.11722	1.1
301.19037	11.1
302.19522	0.9
312.83038	0.6
319.20090	100.0
320.20468	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	319.2242
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
51.42922	1.3
55.05511	1.8
57.07078	14.6
61.35413	1.4
67.05480	1.3
69.19414	8.4
71.08627	8.0
72.68639	1.2
81.07050	3.1
85.10178	4.6
89.06032	7.3
91.05479	1.4
93.07048	1.5
119.08549	1.8
133.08549	1.9
151.09636	2.6
152.16629	1.3
157.16565	1.4
162.86411	1.2
249.87395	1.5
260.91299	1.5
319.22415	100.0
320.22849	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2261
Annotation	CAY10410
Peak:m/z	Relative Intensity
50.29362	1.6
50.85199	1.3
53.03946	2.9
55.01860	10.9
55.05508	10.2
55.81182	1.4
57.03429	6.5
57.07050	1.3
58.06603	1.6
60.04515	4.1
63.81125	1.6
65.03926	5.2
67.05494	54.8
69.03423	1.7
69.07052	7.2
79.05484	25.1
81.03397	2.0
81.07045	21.2
83.04987	2.7
83.08614	2.6
85.00430	1.6
85.06529	3.6
88.07617	3.1
88.98196	1.3
91.05470	21.1
93.07024	22.0
95.04952	100.0
95.08578	9.7
97.06538	4.5
97.10144	1.7
105.07015	18.1
107.04955	10.5
107.08582	17.3
107.52261	1.3
109.06504	28.5
109.07220	2.4
109.10144	2.3
111.08067	5.4
115.05431	2.6
117.06993	10.7
119.04942	2.5
119.08566	9.9
121.06499	7.6
121.10094	6.6
123.08057	3.6
128.06163	1.4
129.06975	5.7
131.08527	13.4
133.06471	5.2
133.10123	6.6
135.08028	29.7
135.11671	6.4
137.05980	2.5
137.09666	1.7
143.08514	7.2
144.08827	1.8
145.10132	11.0
147.08054	7.3
147.11682	4.1
149.09604	4.7
149.13268	5.5
157.10153	4.2
159.08095	1.9
159.11722	6.9
161.09639	5.7
163.11115	3.0
169.10126	2.1
171.11644	3.5
173.09528	2.0
173.13274	2.5
175.11198	2.0
177.12759	5.3
183.11679	2.4
185.13219	3.1
187.11206	1.9
195.11676	1.8
199.14832	2.6
201.12685	3.0
217.15849	6.6
227.17932	2.6
237.16313	2.4
247.16864	2.2
255.17578	1.4
257.26495	1.7
263.99500	1.5
271.28299	2.0
273.18445	29.4
301.28900	1.6
310.84329	1.6
318.30017	1.9
319.18631	2.4
319.22757	10.2
319.30240	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	319.9595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30684	0.8
56.05021	1.3
56.96556	14.7
69.79877	3.0
70.06583	2.2
72.04512	0.8
86.06046	3.1
86.13647	1.1
90.40666	0.9
95.42544	0.8
98.97573	56.6
100.07600	1.4
101.00873	3.0
102.05559	1.3
113.25125	0.8
114.05515	12.7
116.03392	1.1
116.98603	31.0
119.01897	3.4
123.32431	1.0
128.07045	1.5
134.99640	10.1
140.07050	1.4
142.08632	1.3
142.64325	0.8
145.03467	2.0
146.99626	1.2
148.04675	0.8
156.96526	1.5
157.09724	2.5
161.02959	2.1
171.01382	1.5
172.94235	1.6
174.97647	11.5
176.90074	1.0
186.07527	1.0
189.02417	2.8
192.98697	6.8
194.90977	7.0
198.97495	4.6
201.02538	1.3
201.08681	16.0
212.92346	17.9
216.98672	66.8
217.98737	4.2
218.91280	1.7
221.01570	0.9
230.93594	14.4
232.96457	1.0
234.99728	93.9
235.99809	6.6
236.92403	5.2
238.93977	0.9
245.11296	0.9
245.55444	0.9
248.94450	3.2
253.00751	3.2
254.93671	37.2
255.93791	2.1
258.01318	1.3
258.99750	2.1
261.04654	1.8
272.94540	100.0
273.94864	4.5
277.00845	1.6
279.00476	1.0
288.92261	1.5
290.95383	37.5
291.95578	2.5
295.92935	1.2
295.96198	2.7
296.95169	15.8
302.13425	9.2
314.95700	38.1
315.95792	2.3
320.14279	1.5
325.94061	1.7
332.96552	2.4
337.98090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00625	0.4
56.96555	66.2
58.31590	0.5
62.51396	0.5
67.04254	0.5
70.13080	0.8
70.13383	0.8
72.96028	0.6
73.81935	0.6
85.04691	0.4
98.97541	0.9
111.01192	0.7
116.98602	0.5
127.00654	4.6
129.02222	34.8
130.02499	0.7
145.01651	2.7
147.03268	23.9
155.00116	19.3
165.04321	2.9
173.01192	100.0
174.01509	1.3
176.03830	3.5
178.05350	6.4
183.03223	1.6
191.02242	77.0
192.02687	0.7
194.04895	1.1
196.02834	0.7
196.06427	3.9
204.03226	1.6
209.03311	4.7
222.02301	1.1
222.04347	14.8
240.05370	10.7
275.05850	4.2
302.07083	3.0
320.07983	66.3
321.08398	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	320.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21202	1.7
56.96554	25.1
59.22193	1.6
69.03408	4.9
69.07053	4.3
69.48763	7.8
70.06599	1.8
71.05000	1.9
81.03417	5.8
84.96015	10.6
85.02890	17.3
86.06029	3.8
91.03941	1.9
97.02871	5.1
97.96799	1.9
98.97569	100.0
109.02862	44.6
110.97551	24.1
112.99212	2.5
114.05513	7.8
116.98603	36.4
124.99073	4.8
127.03905	3.3
128.98595	20.5
131.00189	4.8
134.99605	5.4
140.07019	2.4
140.98593	5.0
141.05449	42.9
142.08519	2.3
143.00153	7.0
144.98088	5.3
145.04935	5.4
146.99660	7.8
152.98566	12.5
158.08093	2.5
158.99608	15.5
161.01222	6.2
162.99103	2.1
170.99696	10.0
173.01190	5.2
177.00685	14.0
178.73093	1.9
189.00693	4.0
201.00685	2.4
201.08653	9.1
219.01717	25.4
237.00494	3.4
237.02757	31.0
242.09311	2.0
255.03792	1.8
261.06250	10.1
279.07474	92.1
297.08560	16.3
302.13477	6.0
320.07999	3.5
320.14136	9.7
321.08502	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25586	0.7
56.96553	29.0
58.76171	0.7
58.93458	0.7
61.32806	0.7
62.15547	0.7
63.65675	0.7
64.17320	0.7
82.73800	0.7
84.96020	12.0
85.02898	0.9
98.97566	100.0
99.97894	1.0
108.20127	0.8
109.02842	0.9
110.97546	25.1
112.99119	2.6
116.98602	35.4
121.38966	1.0
124.99066	2.8
128.98581	21.9
131.00130	2.7
134.99657	6.2
140.98575	6.2
141.05423	1.4
143.00146	10.4
144.98041	3.4
146.99631	5.8
152.98575	11.9
155.00162	1.7
157.98856	1.2
158.99600	14.8
160.03891	1.4
161.01207	7.4
162.99118	2.3
165.00543	0.8
170.99632	10.7
173.01215	1.6
177.00674	10.8
188.99152	0.8
189.00652	5.5
191.02266	0.9
195.01659	1.5
201.00656	3.0
201.04347	1.3
219.01732	25.5
219.05199	1.2
237.02769	34.4
255.03796	1.7
261.06360	9.2
279.07458	83.6
280.07831	2.6
297.08554	16.0
302.08960	1.0
303.13257	1.0
321.08514	54.8
322.08832	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57426	0.6
53.03932	1.2
55.01874	0.8
57.03417	0.9
61.02909	0.7
63.01094	0.6
65.03936	1.2
67.05502	11.7
69.03402	1.4
69.07053	1.3
70.06568	0.9
70.96884	1.1
73.02868	0.9
79.05486	1.6
79.76685	0.7
81.03400	1.7
81.07021	0.7
85.02901	6.1
91.05468	2.2
93.07029	2.7
94.06559	11.8
95.04948	1.9
95.08594	3.7
97.02874	2.5
105.07027	1.5
108.08074	1.4
109.02847	1.4
111.04428	0.9
113.09676	3.4
119.08556	0.8
122.06019	32.7
123.04430	1.0
123.06304	0.7
127.03890	0.8
131.08611	0.8
136.07562	66.3
137.07890	1.1
140.07042	1.1
146.56047	0.7
148.03870	2.3
164.07047	100.0
165.07373	2.2
176.03441	5.5
181.08611	1.7
182.08113	63.2
183.08409	0.8
184.99895	0.8
304.11478	0.8
321.09674	0.9
321.13562	1.1
321.20520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01891	1.6
55.05511	1.3
67.05495	16.6
69.03424	1.6
70.01904	3.2
70.06603	2.0
79.05487	2.1
81.03413	1.8
81.07051	2.4
91.05468	3.8
93.07042	4.0
94.06560	13.3
95.04975	3.2
95.08550	1.2
105.07005	1.6
105.21492	1.2
107.04951	1.4
107.08599	2.5
109.02902	1.8
109.06559	1.8
110.76644	1.3
119.04913	2.1
121.06568	1.4
121.10146	1.7
122.06018	48.6
123.04448	1.6
136.07561	72.9
146.05981	1.4
147.04440	3.6
149.09607	2.2
164.07048	100.0
165.07477	3.3
182.08113	58.9
183.08472	2.5
257.33060	1.4
258.11346	1.5
281.23291	1.2
286.10608	2.0
303.13348	2.0
304.11658	3.4
308.97498	1.5
321.09521	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19090	0.8
67.05499	10.4
70.06593	1.3
70.49630	1.0
77.03903	1.1
79.05482	1.7
81.07055	1.6
84.04510	1.3
84.08128	3.7
91.05470	2.3
94.06562	11.7
95.04976	2.3
95.08620	1.2
97.27986	1.0
105.07048	1.3
116.37968	1.0
119.04910	1.9
122.06019	44.8
133.10159	1.3
135.04420	1.2
135.08105	1.3
136.07562	66.1
137.07899	2.0
140.07025	1.6
145.10025	1.1
146.05995	2.0
147.04395	5.6
150.05449	1.5
159.09157	1.5
161.09651	1.3
164.07053	100.0
165.07372	3.0
182.08116	69.0
183.08376	1.4
228.09116	1.1
229.15593	1.4
234.06787	0.9
243.11349	1.2
249.30962	1.1
257.18564	1.4
258.11185	1.0
259.09238	1.1
268.69403	1.0
271.54645	1.0
303.13370	1.6
304.11871	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	321.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.2
65.83123	1.0
67.05479	3.6
69.03411	1.2
69.07053	2.9
69.30630	6.2
79.05470	2.7
79.99253	1.0
80.53019	1.0
80.94837	1.7
81.07045	5.4
83.08588	2.0
85.75331	1.1
91.05436	2.3
93.07030	3.5
95.08575	4.0
104.66067	1.1
105.07016	2.6
107.08501	1.5
109.10136	6.1
119.08601	1.9
121.10132	1.4
123.08041	3.5
128.55887	1.2
133.10081	1.5
135.11612	1.4
145.10043	2.6
147.11674	1.3
151.07526	9.4
165.09064	1.3
187.14758	1.2
189.12720	1.7
207.13774	3.9
297.03070	1.3
297.06445	1.5
321.16672	100.0
321.20093	4.3
321.23907	2.6
322.17010	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	321.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42720	0.6
67.05502	0.7
69.03426	1.1
69.07042	0.9
69.13037	5.0
72.36945	0.7
79.05484	0.8
81.07034	3.4
85.06023	0.6
86.09678	1.4
93.07005	2.0
105.07031	1.0
107.08565	1.1
109.06504	1.0
119.08548	1.0
137.20125	0.7
145.10069	1.1
149.09523	0.8
170.27400	0.8
212.59399	0.8
232.14432	0.8
321.16678	100.0
322.17032	4.8
330.65503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.4
67.05494	1.2
69.07053	3.7
69.44319	1.3
79.05486	2.8
81.07047	8.3
83.08610	1.9
86.09690	93.2
91.05474	2.3
93.07026	4.2
95.04956	1.9
95.08588	3.8
97.10130	1.3
98.22709	4.2
103.05458	5.2
105.07016	5.1
107.04868	1.1
107.08566	4.2
109.10148	5.4
119.08597	2.0
120.08086	100.0
121.08430	2.6
121.10128	4.1
123.11733	2.3
128.10698	48.4
129.11043	2.4
131.04974	2.6
133.10097	2.2
135.11659	1.7
137.09604	1.5
148.54512	1.3
149.05890	1.2
156.10178	11.8
165.08986	2.0
166.08612	54.4
167.08937	2.0
230.21341	1.3
303.23169	1.9
321.16605	2.1
321.24103	3.6
322.25671	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	321.2421
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.03934	9.9
55.01613	4.2
55.01864	55.5
55.05251	3.5
55.05502	40.5
57.03424	7.1
57.07058	2.3
58.02951	4.3
63.27956	2.6
65.03923	3.0
67.05497	53.0
69.03427	4.2
69.07058	39.4
71.04984	4.0
71.08619	5.9
76.66372	2.2
79.05479	65.1
80.53443	2.2
81.03403	18.5
81.07044	67.1
83.04964	14.2
83.08600	16.0
85.06515	4.5
91.05469	43.1
91.17962	2.3
93.07033	51.1
95.01326	3.2
95.04965	18.7
95.08602	33.4
97.06517	100.0
97.10161	21.3
99.08082	5.9
103.05456	2.6
105.05850	2.7
105.07013	56.8
107.04941	22.5
107.08569	44.0
109.06533	13.7
109.10138	17.4
111.08044	7.1
117.06998	17.4
119.08560	27.3
121.06428	5.6
121.10130	16.0
123.08051	22.0
123.11692	5.2
125.09605	27.1
131.08554	19.9
133.10110	34.7
135.08034	18.3
135.11649	11.7
137.09567	4.9
139.07532	4.1
139.11183	3.0
141.07036	2.5
145.10109	19.8
147.11650	12.7
149.09601	34.9
149.13239	4.2
151.11188	8.6
153.09093	7.3
157.10164	3.3
159.11674	15.1
161.13239	8.1
163.11159	9.0
165.09155	4.1
165.12746	8.3
173.11780	3.0
173.13255	5.8
175.14822	4.5
177.12721	12.9
179.14249	20.6
187.11200	5.1
190.55920	3.3
203.14381	3.2
205.12143	2.6
209.15273	3.1
215.17897	4.9
217.14275	15.2
219.17406	9.1
223.17056	2.7
224.20059	8.6
229.19521	6.7
247.20607	3.4
257.18973	8.7
265.18048	4.8
275.20035	71.4
275.22928	5.0
276.20248	4.9
291.23129	9.8
301.42294	2.9
314.86432	3.5
321.24213	35.0
322.27393	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	321.2423
Annotation	19S-HETE
Peak:m/z	Relative Intensity
52.34308	1.2
55.05511	7.0
57.07066	4.0
58.06578	1.3
64.44156	1.2
67.05489	7.4
69.07065	5.0
70.26775	1.8
70.27122	1.9
71.04968	1.5
71.08611	2.4
79.05464	6.7
80.94836	2.3
81.07040	11.6
83.08595	3.8
84.04865	1.3
85.06525	2.0
89.45708	1.4
91.05497	3.6
93.07050	5.4
95.08600	10.4
97.06513	2.2
97.10159	2.2
99.08060	2.7
105.07015	4.2
107.08588	5.3
109.06511	13.5
109.10149	4.0
111.08121	1.8
112.80968	1.7
118.88392	1.4
119.08563	5.0
121.10140	4.9
123.08057	50.2
131.08539	3.3
133.06497	2.3
133.10146	2.6
135.08078	6.1
136.03581	1.4
137.09628	3.4
145.10130	3.0
149.09599	3.1
159.11633	2.8
179.14290	60.0
180.14685	2.1
205.15956	1.7
219.17386	1.6
233.26620	1.8
265.17987	12.9
275.20111	3.3
294.14209	1.4
303.23291	7.1
321.24219	100.0
321.73987	1.9
322.24503	6.7
339.23004	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.3
69.67495	2.0
69.67857	1.8
70.21535	0.8
91.05013	0.7
98.97578	3.1
99.39918	0.8
116.98624	2.4
119.01902	2.0
134.99699	1.4
145.03444	1.0
158.99864	1.0
177.00929	7.0
182.99896	1.7
190.02592	1.3
196.95569	1.3
201.00935	3.9
202.94449	1.6
214.92998	2.5
214.96512	22.5
215.96689	0.9
218.64401	1.2
218.98570	1.8
219.01979	74.2
220.02086	5.5
232.93944	1.4
238.96567	8.3
242.03613	2.1
256.97565	96.4
257.97687	8.4
262.96506	2.7
274.95175	5.2
274.97717	1.3
280.97562	6.9
282.09680	0.9
298.98544	100.0
299.98694	9.7
316.96082	1.3
321.95743	1.0
321.99799	2.9
340.96375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34095	5.1
65.03936	4.9
68.89970	4.6
69.07022	5.6
69.58714	20.3
70.06571	11.0
76.16453	5.4
81.03397	8.2
84.08127	6.0
85.02895	6.5
94.09673	4.2
97.02890	14.9
98.97599	4.8
101.29823	4.6
109.02874	12.1
111.00798	7.6
111.04417	8.9
119.04970	5.8
120.08105	6.5
121.02839	15.2
123.04436	14.9
127.03930	5.0
132.04411	8.5
134.05959	13.7
134.99590	5.5
137.02293	6.8
139.03882	25.0
142.03175	10.5
147.04276	11.6
149.02281	39.6
150.03082	57.7
151.03899	9.8
152.07010	18.2
153.01810	25.7
157.06462	8.0
160.03912	100.0
161.02161	8.3
165.01784	7.2
167.03378	33.3
175.03923	15.4
175.07539	7.3
179.03403	27.4
185.04227	9.0
195.02838	18.5
203.03387	7.1
203.06944	9.5
213.05472	19.4
216.04253	5.4
216.59671	4.2
224.49304	4.5
230.10301	13.7
231.06554	38.9
236.58405	4.9
241.04910	12.2
245.04572	6.8
258.09811	11.9
259.05972	51.8
269.04495	4.6
273.84076	4.5
276.10785	24.8
287.05460	67.0
305.06479	7.0
322.11765	9.3
322.18503	9.2
323.07471	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	322.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95617	0.9
60.46848	1.2
69.28529	6.3
80.84553	1.0
83.81400	1.0
86.03520	1.0
89.60274	1.2
96.38218	1.0
98.22604	1.2
98.97618	1.0
103.05461	1.4
116.98595	1.1
121.06483	2.9
122.03010	1.0
149.05940	2.1
162.03108	3.2
165.22136	1.0
177.05357	1.8
190.02539	6.8
200.81512	1.3
205.04936	100.0
206.05211	3.8
223.05980	29.8
231.41652	1.3
322.03137	1.3
323.12561	1.1
323.23096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14063	1.4
68.05075	1.0
69.03418	2.5
70.06593	2.1
73.76463	1.1
75.57256	1.2
79.05479	2.8
81.07032	2.9
83.04979	4.3
83.08594	2.0
85.02898	4.9
87.75155	1.3
91.05470	4.4
97.02861	2.4
105.07051	1.4
107.08581	54.3
108.08935	1.4
125.09615	100.0
126.09927	2.0
135.24765	1.3
141.86136	1.1
145.04922	1.5
147.04384	1.7
160.03920	2.3
160.07605	1.8
161.06071	1.3
219.08150	1.4
231.08052	2.2
283.72046	1.3
291.10175	2.1
322.12820	1.5
322.16217	4.4
323.12714	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30194	0.4
55.01876	0.5
55.05503	5.8
57.07055	0.6
60.04519	1.4
61.57275	0.4
62.06078	100.0
65.03942	0.6
67.05491	17.9
68.73460	0.5
69.07051	4.4
71.04966	0.8
71.21403	0.8
79.05476	11.4
81.07043	19.3
82.07385	0.5
83.04958	0.4
83.08610	2.6
91.05479	5.2
93.07029	13.6
95.04960	1.6
95.08589	15.5
97.06547	0.6
97.10169	0.8
98.06067	0.8
99.04449	0.8
105.07033	3.8
107.08585	8.4
109.10132	5.7
117.06982	1.2
119.08556	3.6
121.10120	5.7
123.11698	2.5
125.09650	0.6
130.08673	0.5
131.08528	2.4
133.10139	1.9
135.08046	0.6
135.11667	3.8
137.13287	0.5
145.10129	1.6
147.11722	1.6
149.13222	3.5
159.11716	1.3
161.13255	1.5
163.14842	1.2
169.59215	0.5
173.13254	1.2
175.14784	0.7
177.16418	1.4
186.14879	0.7
187.14848	1.0
200.16519	0.7
203.12747	0.7
219.08353	0.5
243.21111	1.8
247.35207	0.5
261.22153	3.6
291.19470	3.3
304.26361	1.9
305.21710	0.6
305.24823	2.1
322.27359	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	323.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01860	2.1
57.03422	4.0
61.02917	6.1
62.99522	1.8
69.03423	19.5
69.63139	6.3
71.05003	2.3
73.02891	2.6
77.39724	1.7
79.05498	1.8
81.03402	6.6
84.08111	2.5
85.02892	34.6
85.03392	2.3
87.04456	4.3
91.03953	2.6
91.05482	2.1
97.02888	14.8
99.04452	2.4
105.03435	2.5
107.09701	2.2
108.04348	1.7
109.02889	5.1
117.03339	2.5
122.78275	1.8
127.03928	5.6
139.03943	1.8
143.00984	2.7
145.02826	4.3
145.04910	2.2
150.05565	1.9
160.03902	12.9
161.02089	58.5
161.04178	15.9
177.05493	8.1
179.05374	3.4
185.04182	88.1
203.05228	29.0
206.39439	1.8
262.10938	3.4
323.07373	100.0
323.11093	15.7
324.07205	2.6
324.10754	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	323.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03566	6.2
59.72764	6.4
60.54494	6.3
70.61261	6.6
74.85789	6.5
78.29717	6.3
93.32671	6.5
115.60281	6.5
123.77993	6.2
144.04282	7.9
151.56323	7.2
248.89594	12.8
323.07388	100.0
324.07483	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	323.1025
Annotation	Hadranthine A
Peak:m/z	Relative Intensity
55.01850	0.6
55.05482	1.9
55.46770	0.4
55.82626	0.5
56.12409	0.4
57.07052	0.9
58.06575	0.9
67.05500	3.4
69.03415	2.3
69.07060	2.9
69.65784	1.5
70.06563	0.5
71.04982	0.5
72.08111	0.7
79.05474	2.1
81.03390	0.8
81.07047	7.6
83.04958	0.8
83.08607	1.2
85.06502	2.0
88.07638	0.6
91.05453	1.9
93.07027	3.6
95.04918	1.2
95.08116	0.5
95.08598	5.9
97.02843	0.9
97.06493	0.6
97.10168	0.6
99.04398	0.5
99.08096	0.7
105.07016	2.4
107.08573	3.1
109.02890	0.9
109.06467	0.8
109.10140	3.6
111.08051	2.6
114.86256	0.4
116.98648	0.6
117.06977	0.6
119.08542	1.4
121.06509	0.8
121.10110	2.0
123.08067	0.6
123.11675	1.5
125.09615	0.9
127.03855	0.9
127.63643	0.4
131.08521	0.8
132.10144	1.1
133.05185	1.5
133.10094	1.8
135.11618	1.8
137.05988	0.5
137.13237	0.5
145.10139	0.5
146.06006	0.6
147.11632	0.8
148.03854	1.1
149.13210	0.8
151.07442	0.6
161.04622	1.8
161.05916	0.8
161.13219	0.8
163.11134	0.8
163.14816	0.7
178.07811	0.5
186.18457	0.6
196.07690	0.5
203.08665	0.5
214.07321	1.8
221.07143	2.7
222.07646	0.7
223.08569	1.2
230.21097	1.5
235.06218	1.4
235.08606	2.7
236.07025	1.0
237.06564	6.9
249.06590	5.7
250.07309	4.0
251.05840	1.7
251.08116	25.4
252.06395	0.8
252.08754	3.0
261.06631	1.0
262.07327	0.9
263.08160	9.1
263.10736	0.6
264.08728	1.8
265.06027	21.1
266.08212	11.2
267.07608	17.4
268.07828	1.0
277.06003	1.4
278.06790	2.7
279.07614	21.7
280.08392	22.6
281.08649	0.9
290.06781	0.8
291.07578	5.2
291.10233	1.4
293.05493	5.0
294.06137	0.6
305.24686	0.6
307.07117	4.6
308.07858	100.0
309.08176	6.8
322.25906	3.2
323.10208	85.7
323.18304	3.1
323.25964	3.3
324.10510	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	323.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59340	0.8
70.06575	1.2
70.69566	1.6
70.69901	1.2
84.08112	1.4
84.16319	1.2
85.64961	1.0
123.05540	3.3
127.07523	1.5
185.04294	1.4
194.95941	1.0
244.23061	1.0
291.10101	1.2
323.10980	100.0
324.06671	1.7
324.10544	33.2
330.79465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	31.9
56.96543	51.3
58.06589	45.4
60.36934	21.8
60.37324	23.6
67.05481	36.5
67.69958	24.7
67.92423	26.0
79.05482	33.8
81.07024	44.3
91.05466	34.0
93.07008	47.3
95.08552	35.7
98.97552	57.5
105.07012	45.0
107.08575	45.1
109.10139	33.2
116.98608	31.9
117.67255	25.4
119.08546	41.5
133.10150	31.7
147.11641	42.1
149.09662	25.7
159.11635	31.8
164.52052	32.3
173.01167	39.5
191.02263	91.5
198.98917	44.5
223.22220	25.2
233.01106	31.7
277.00787	61.4
281.75616	30.6
298.51889	29.5
323.18317	100.0
323.21939	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.6
57.07044	0.9
67.05493	4.3
69.07070	3.8
69.28249	1.4
69.28654	3.0
76.26613	0.8
79.05484	2.6
81.07056	7.1
83.04958	1.1
83.08596	1.8
85.06510	1.4
86.38430	0.7
91.05460	3.5
93.07030	4.0
95.04969	1.1
95.08594	4.2
97.06536	0.9
97.10159	1.2
98.97565	0.9
99.08073	0.7
103.95060	0.7
105.07015	2.0
107.08600	2.9
107.76236	0.8
109.10150	2.3
111.08068	1.3
111.11732	0.8
114.56860	0.8
116.98608	1.0
117.07021	0.9
119.08563	1.8
121.10117	3.0
123.11698	1.4
131.08591	1.3
133.10097	1.7
134.99719	0.9
135.08003	0.8
135.11687	1.6
137.09546	1.5
137.21060	0.7
147.11629	1.2
149.13228	1.1
155.03102	1.6
198.98946	1.0
204.68945	0.8
237.86044	0.9
277.00867	1.2
287.23889	0.9
323.14618	100.0
323.18042	5.1
323.22379	3.8
324.15005	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	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
61.75790	0.7
65.03925	0.7
67.05499	1.5
69.07053	0.8
70.06597	1.0
71.04981	0.8
71.45757	0.7
77.03930	1.2
77.75851	0.7
79.05484	4.4
79.83578	0.7
81.05789	3.0
81.07053	3.2
83.04942	0.9
83.90444	0.7
85.02915	0.9
86.09724	0.9
86.46188	0.6
91.05474	3.0
93.07029	2.3
94.06550	1.2
95.04940	1.9
95.08627	1.3
96.08117	10.2
98.23521	1.5
105.07032	1.8
106.06537	1.2
107.08579	0.8
108.08083	0.9
116.98624	0.9
119.08626	0.8
121.06457	0.8
122.06005	1.2
123.04367	0.8
124.07580	38.8
125.07906	1.0
126.05508	0.9
131.08606	0.7
133.02797	1.0
133.10172	0.7
136.07562	60.8
137.05962	1.8
137.07901	2.4
138.09164	2.1
140.07054	2.1
148.03931	1.2
149.50238	0.8
161.05974	1.9
163.03860	1.0
164.07048	100.0
165.07384	4.6
166.07523	0.8
175.07625	1.0
176.03442	1.9
176.07050	1.9
177.03726	0.9
181.04926	1.8
182.08113	72.5
183.08446	2.4
189.09097	0.7
199.07457	0.9
203.08533	3.8
214.07378	0.7
220.08884	0.9
221.06013	1.5
228.74940	0.7
231.08054	2.6
233.94214	0.7
248.08315	3.1
249.05540	0.8
259.07513	1.5
260.08292	0.8
263.10571	2.5
276.07913	1.1
278.05789	0.7
291.10095	5.0
293.19537	0.8
306.13318	1.1
306.16660	0.7
308.10477	1.4
323.05362	2.0
323.09637	2.2
323.12589	4.1
323.15747	0.8
324.18173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55773	0.8
55.01869	1.3
55.05495	4.5
57.07063	1.5
67.05495	5.5
69.03418	3.5
69.07062	6.1
70.06566	0.8
71.04973	1.9
72.70559	0.9
75.76904	0.9
79.05479	5.5
81.07045	11.3
83.04957	1.9
83.08608	2.7
84.08088	1.0
91.05469	3.6
93.07028	8.8
95.08604	9.4
97.02885	4.7
97.06529	1.2
97.10178	1.8
98.97593	1.1
99.08079	0.9
104.38437	0.8
105.07032	6.2
107.08579	15.2
109.06515	2.2
109.10152	5.8
111.11729	1.1
115.03926	1.1
116.98634	1.3
119.08550	4.2
121.06468	1.2
121.10138	6.7
123.11670	3.0
131.08600	1.0
133.10092	2.3
135.08022	1.6
135.11678	4.9
137.13298	1.7
145.10124	3.2
147.11674	2.0
149.09576	3.5
149.13245	2.9
150.09955	2.0
151.07645	1.0
151.11201	1.1
157.10091	0.9
161.05875	1.1
163.11169	7.5
173.04662	1.1
181.12132	1.3
191.10609	4.3
213.06564	21.6
214.07175	1.0
231.07953	2.0
248.08345	1.0
263.10605	1.6
290.25485	0.9
291.10095	3.3
293.08118	1.0
305.17151	4.3
305.24716	2.1
323.10007	17.7
323.18237	100.0
323.25772	3.1
324.10370	1.6
324.18536	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	323.185
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
51.23549	1.0
53.03928	3.5
55.01866	6.6
55.05253	1.3
55.05500	18.1
57.03431	2.0
57.07061	2.1
59.05002	1.3
65.03927	1.9
67.05156	2.1
67.05494	27.4
69.03418	100.0
69.07059	12.0
71.01343	2.0
71.04976	7.6
79.05480	23.2
79.24152	1.1
81.03406	42.3
81.03886	2.0
81.07043	37.2
82.07397	1.0
83.04469	1.2
83.04966	20.8
83.08598	9.5
85.02885	3.1
85.06511	4.0
91.05468	19.8
93.07024	26.9
95.01289	2.0
95.04951	14.0
95.08015	1.9
95.08591	30.9
95.09202	1.7
96.08921	1.0
97.02846	7.7
97.06505	11.1
97.10149	4.1
97.64526	1.0
98.97558	2.1
99.04423	4.9
99.08069	2.3
105.04507	1.3
105.07012	21.3
107.04909	4.9
107.08567	15.6
109.02844	10.0
109.06499	10.5
109.10143	14.2
110.03632	1.9
111.04439	6.7
111.08053	4.9
113.05882	1.1
117.06981	10.0
119.08553	15.1
119.60873	1.0
121.06497	10.0
121.10123	10.8
123.04413	2.5
123.08060	6.9
123.11674	3.6
125.02268	2.3
125.05910	1.4
125.09604	3.6
126.27579	0.9
127.03889	10.8
128.06197	2.3
129.06987	3.6
131.08543	9.7
131.11623	1.0
133.06454	3.9
133.10103	11.5
135.08038	8.4
135.11667	6.4
136.69527	1.0
137.05949	3.9
137.09592	4.0
137.13246	1.5
139.07530	1.2
141.06963	1.7
143.08533	2.9
145.06558	2.1
145.10117	7.5
147.08034	4.1
147.11630	4.0
149.05882	2.2
149.09563	2.3
149.13242	5.8
151.07530	23.9
155.08502	3.4
155.23277	1.2
157.10097	2.8
159.07979	3.1
159.11670	4.9
161.05959	2.5
161.09579	2.9
161.13194	5.0
163.07509	3.0
163.11128	3.2
163.14737	1.3
165.09056	1.3
171.08038	2.5
171.11642	2.8
173.09608	2.3
173.11696	3.8
173.13237	3.5
175.14795	1.6
177.12727	2.6
179.14261	2.9
181.08658	1.4
183.11694	1.7
185.13251	2.3
187.14804	1.5
189.12732	2.8
191.14302	4.0
193.12256	1.3
195.13814	2.7
197.13258	1.2
199.11244	1.2
201.12801	3.3
203.08527	2.6
203.14316	1.7
207.13847	3.6
209.13628	1.2
209.15294	6.7
215.14328	1.2
219.13730	6.0
225.14841	2.7
231.08057	4.0
231.21347	1.2
235.16969	1.5
237.14792	25.7
245.15222	1.4
248.08272	1.3
259.07535	1.4
259.16922	3.3
263.16275	5.8
277.17917	4.4
279.07495	1.5
280.08231	1.1
287.16287	6.6
291.10095	4.1
292.10815	1.4
293.17365	1.4
305.14307	2.0
305.17410	17.2
305.24698	2.0
308.07831	6.5
323.09656	5.2
323.18448	92.0
323.25983	4.0
324.18671	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	323.1849
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
53.03933	3.1
55.01853	5.4
55.05499	16.5
57.03429	2.9
57.07046	2.5
67.05497	30.0
69.03419	100.0
69.07063	15.7
71.01347	2.9
71.04974	9.2
79.05482	27.8
80.34555	1.6
81.03409	43.4
81.07042	43.7
83.04971	18.2
83.08600	11.7
85.02865	4.9
85.06532	5.0
91.05465	21.5
92.18520	1.6
93.07034	29.8
95.01286	2.4
95.04964	12.8
95.08598	38.5
96.59225	1.5
97.02871	10.3
97.06506	12.8
97.10162	5.0
99.04438	6.2
99.08095	4.8
104.82155	1.8
105.07022	22.5
107.04948	4.0
107.08585	19.6
109.02844	11.3
109.06530	8.0
109.10138	20.2
111.04423	7.4
111.08064	3.9
112.92016	1.7
115.05390	2.3
117.07020	8.3
119.08530	16.7
121.06491	5.6
121.10125	14.5
123.04405	3.8
123.08057	4.8
123.11668	4.7
125.09620	4.2
127.03899	11.5
129.07002	2.6
131.08543	9.5
133.06483	5.1
133.10133	9.9
135.08020	8.3
135.11662	6.7
137.09584	4.1
139.11122	3.6
143.08560	2.9
145.10094	8.9
146.01526	1.7
147.07974	4.2
147.11664	7.7
149.05972	3.4
149.09576	3.1
149.13199	6.2
151.07510	20.3
155.08598	2.1
157.10095	5.5
159.08051	4.1
159.11649	4.7
161.05925	2.1
161.09610	4.1
161.13222	6.3
163.11273	2.1
163.14784	2.7
171.11612	2.2
173.09627	3.2
173.11720	2.4
173.13260	4.6
175.11293	2.3
177.12727	2.8
179.14177	3.9
181.12178	1.8
185.09586	1.9
185.13252	2.3
186.81848	1.8
189.12755	3.3
191.14215	2.0
195.13869	2.6
199.07610	1.8
201.12849	2.8
203.08530	2.2
203.10594	1.8
207.13701	3.5
209.15327	6.5
213.14601	2.0
213.16478	1.8
219.13722	4.0
220.08821	1.7
225.14859	3.4
231.07983	3.8
237.14795	21.3
248.08279	3.5
251.08130	1.8
259.07507	1.9
263.10687	3.4
263.16354	6.0
265.05981	2.1
266.07971	2.8
277.00754	2.5
277.08493	2.1
277.17914	4.4
280.08298	3.9
287.16357	6.6
290.03824	1.7
291.10104	7.1
305.17389	16.1
305.24655	4.2
308.07684	10.4
323.09738	8.4
323.18448	96.6
323.26038	8.0
324.18845	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	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50999	1.2
53.03949	1.6
55.01851	2.2
55.05500	12.0
57.03421	5.7
57.07065	5.1
58.06595	1.7
65.03912	2.7
67.05491	33.9
69.03394	1.6
69.07059	12.4
70.04214	3.0
70.04547	1.2
71.04984	7.0
72.08140	2.6
75.04478	2.8
77.03904	1.4
79.05477	50.0
81.07044	36.2
81.07455	1.0
83.04989	4.1
83.08585	6.0
83.48116	1.2
85.06540	10.7
87.04414	1.2
87.62457	1.1
91.05464	69.8
92.05797	2.1
93.07029	56.3
95.04939	6.3
95.08587	26.3
97.06513	5.4
97.10130	1.3
98.97539	2.8
99.08083	4.8
105.07011	72.5
106.07343	2.1
107.08571	31.7
109.06520	4.5
109.10137	13.2
111.08031	2.2
116.98596	2.5
117.06995	15.0
119.08561	60.6
119.09418	2.9
121.06535	1.7
121.10126	28.6
122.10414	1.4
123.08018	2.5
128.06206	2.7
129.06973	17.0
130.07849	1.8
131.08542	26.4
133.10106	100.0
134.10474	2.8
134.99651	1.6
135.08015	4.6
135.11670	26.1
137.09581	4.3
138.28830	1.2
142.07727	3.1
143.08537	14.1
145.10086	25.7
147.08035	2.2
147.11661	87.6
148.11967	1.8
149.09573	5.5
149.13228	4.9
151.11136	2.6
157.10104	22.0
159.11685	13.6
161.09584	3.9
161.13231	11.1
162.01247	1.4
163.11160	4.3
165.12798	1.4
169.10106	2.1
171.11655	32.8
172.12024	1.4
173.13237	5.8
175.11200	7.9
175.14806	2.8
176.37180	1.7
185.13184	8.5
187.14778	11.7
189.12727	4.6
189.16347	24.6
203.14249	5.9
203.17911	26.5
204.18271	2.5
213.16339	70.1
214.16682	3.6
231.17398	83.6
232.17686	3.3
236.71449	1.2
249.18358	3.5
264.19470	1.6
277.00714	2.0
305.20978	2.3
323.22144	28.4
324.12311	1.8
324.22198	2.1
329.72632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75878	4.7
53.03936	6.7
55.01852	13.5
55.05501	47.8
57.03431	13.5
67.05502	81.6
69.03403	8.3
69.07059	33.4
71.04971	9.3
71.08616	13.3
79.05492	44.7
81.07052	100.0
83.01365	5.4
83.04973	75.6
83.08607	19.3
85.06541	8.0
91.05467	46.0
93.07048	50.4
94.63595	4.2
95.04961	12.0
95.08591	61.6
97.06526	11.5
97.10168	9.2
99.08055	10.8
105.07014	40.4
107.04938	10.5
107.08587	42.7
108.34894	4.5
109.06499	12.8
109.10133	41.2
111.04400	6.3
111.08102	7.1
112.49657	4.6
117.06995	12.7
119.08578	19.6
121.06473	13.3
121.10128	25.1
122.77391	5.4
123.08028	7.7
123.11702	17.4
129.07025	4.7
131.08556	15.8
133.06424	7.2
133.10136	59.2
135.08022	8.0
135.11714	9.1
139.07573	5.7
145.10106	10.3
147.08041	7.7
147.11668	8.9
149.09641	11.3
149.13264	5.2
151.11154	36.0
161.09590	12.2
165.09161	8.5
165.12720	5.9
171.11633	9.0
175.09578	4.5
175.11084	9.0
177.09183	7.1
177.12767	6.1
179.10651	6.1
183.13774	14.0
207.13699	5.1
245.19002	11.8
255.17371	6.6
263.20081	10.9
273.18326	24.9
291.19531	52.0
323.22116	29.3
323.25797	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80613	1.2
52.55249	1.2
55.01869	3.0
55.05506	7.7
56.96575	2.0
57.03418	5.9
58.06596	1.6
59.04990	1.8
65.03923	1.4
67.05492	25.0
67.99062	1.4
69.07053	20.9
69.57670	2.5
69.58041	3.1
71.04989	8.2
71.22812	1.3
73.06544	6.4
77.63254	1.2
79.05480	15.9
81.03416	1.5
81.07037	19.8
83.04945	3.2
83.08592	3.7
85.06526	5.4
86.09699	11.9
88.04450	1.1
91.05471	15.0
91.58865	1.2
93.07039	17.0
95.04970	9.5
95.08592	11.9
97.06483	1.8
99.08079	100.0
105.07008	13.0
107.04898	2.5
107.08567	12.4
109.06499	17.3
109.10128	2.8
111.08092	3.4
113.05978	3.6
115.05431	2.2
116.98620	1.7
117.06977	4.6
119.08559	13.2
121.06475	3.9
121.10119	8.6
123.08047	5.3
125.09574	1.7
127.07546	4.9
129.06985	4.4
131.08540	9.4
133.10115	7.5
135.08054	8.7
135.11671	4.6
137.09592	1.7
141.09045	2.8
143.08505	4.0
145.10103	8.7
147.08038	4.0
147.11670	5.4
149.09593	3.8
151.11160	6.2
157.10086	4.7
159.10272	1.3
159.11668	3.1
161.09592	6.4
163.11150	3.8
165.09077	1.3
171.11656	3.4
172.50429	1.2
174.56749	1.1
175.11241	2.7
185.13377	1.7
189.12691	1.7
195.11775	1.3
198.98967	1.8
199.01033	1.1
199.14845	1.6
217.15828	5.8
231.17357	1.9
235.17033	1.7
237.02840	1.4
245.18970	2.2
249.18326	2.2
255.17451	2.4
258.99768	2.6
260.20068	1.6
263.20200	1.8
273.18463	15.2
277.00705	3.0
278.21204	3.9
291.19485	12.8
305.21082	7.8
323.14633	3.3
323.18503	2.4
323.21906	2.6
324.21680	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	323.2214
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.01864	8.2
55.05504	12.8
57.03432	36.5
62.06066	5.9
63.20472	4.4
65.97734	4.5
67.05508	37.2
69.07050	11.5
79.05503	15.1
81.07062	27.4
85.06530	28.5
91.05478	16.3
93.07029	22.1
94.60779	3.9
95.04960	41.8
95.08598	13.8
97.06538	5.8
97.10147	5.5
98.97585	12.1
105.07017	15.7
107.08594	12.8
109.06511	31.5
109.10156	10.6
111.04462	6.0
111.08088	5.7
113.05994	100.0
116.98585	5.4
117.07007	5.3
119.08553	12.2
121.10147	8.5
135.08035	22.4
135.11673	7.9
145.10075	5.8
157.53482	4.9
159.11655	5.1
161.09636	4.7
163.11125	7.3
208.91702	4.3
217.15927	9.7
230.07129	4.3
258.99646	6.4
273.18503	14.6
277.00775	7.9
291.19559	41.8
305.20877	4.7
323.27634	6.4
324.28708	16.2
348.99991	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31793	3.8
52.95750	4.0
53.03943	7.0
55.01861	19.8
55.05505	63.9
57.03430	5.1
64.21129	3.7
67.05155	6.5
67.05496	93.8
69.03416	7.3
69.07056	34.5
71.04986	10.2
79.05485	75.4
79.66186	4.3
81.03415	5.8
81.07045	96.7
83.01303	10.2
83.04964	100.0
83.08584	22.4
85.02893	4.4
85.06525	8.0
91.05466	73.1
93.07030	77.7
95.04957	27.4
95.08587	58.5
97.02902	5.0
97.06517	16.0
97.10168	6.7
99.08057	6.0
105.07015	58.0
107.04936	15.9
107.08567	58.6
109.06492	17.8
109.10142	42.6
111.04387	6.3
111.08076	18.0
117.07016	17.5
119.08551	31.1
121.06481	22.5
121.10110	21.9
123.04445	7.8
123.08047	14.0
123.11675	13.5
125.05984	9.4
129.06961	11.4
131.08522	25.9
133.06470	15.7
133.10107	75.6
135.08046	18.1
135.11684	17.3
137.05911	6.1
137.09587	13.4
139.07524	15.4
143.08560	11.1
145.10110	16.2
147.08049	19.5
147.11668	17.4
149.09616	14.7
149.13266	5.7
151.11156	59.7
157.10117	11.5
159.08110	6.9
159.11693	11.7
161.09590	27.4
161.13152	5.3
163.11162	10.3
169.10054	5.3
171.11655	11.3
173.13217	8.9
175.11119	11.6
177.09125	7.1
179.10585	8.9
183.13741	20.9
189.12669	5.9
191.14259	4.4
203.14317	6.4
207.13632	3.8
217.12225	5.5
217.19449	5.1
223.13181	4.7
229.14140	4.1
235.13190	5.2
245.18932	19.6
255.17316	6.7
263.19986	27.2
273.18417	54.9
291.19479	99.2
305.21051	11.5
323.22098	45.9
323.25497	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	323.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.01859	1.3
55.05294	1.2
55.05503	12.8
57.03422	1.7
57.07061	3.1
65.03923	3.7
67.05493	100.0
68.05825	2.4
69.07052	11.9
71.04977	1.5
79.05475	27.0
81.07042	98.8
82.07364	2.0
83.08593	5.7
85.06525	2.2
91.05454	11.9
93.06439	1.6
93.07028	31.2
94.07398	1.3
95.04953	3.5
95.08588	75.7
96.08923	1.0
97.06522	2.7
97.10146	2.3
98.97617	1.2
99.08079	1.7
100.81259	1.1
105.07011	11.4
107.08565	19.3
109.06499	1.5
109.10134	41.3
109.73874	1.0
109.82422	1.2
111.11697	1.2
117.07008	5.0
119.08546	9.4
121.10114	16.4
123.08051	1.6
123.11682	21.9
131.08542	11.4
133.10144	7.9
135.11667	13.7
137.09625	2.5
137.13223	8.9
139.11162	1.5
145.10083	9.0
147.11658	7.0
149.09532	1.6
149.13243	9.9
149.35492	1.2
151.11105	2.0
151.14787	2.9
159.11658	6.9
161.13289	5.0
163.14822	7.2
165.12698	1.5
173.13210	9.6
175.14737	1.3
177.12694	1.5
177.16345	3.2
179.14148	1.2
187.14774	5.7
191.14336	2.6
201.16325	2.4
233.22563	1.5
243.21036	10.8
261.22098	36.3
262.22498	2.5
323.25681	28.3
324.25452	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	323.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43335	3.8
55.01617	5.3
55.01869	84.6
55.05503	13.8
63.76038	4.1
67.05489	40.3
69.07069	32.7
71.04981	5.5
71.42127	4.2
79.05480	22.1
81.07046	44.9
83.04976	10.0
83.08619	9.6
91.05460	21.8
93.07043	27.5
95.04972	6.1
95.08622	33.6
97.06524	100.0
97.10131	9.7
99.16695	4.7
100.86634	4.0
104.38410	5.0
105.07031	21.3
107.08599	19.8
109.06525	5.5
109.10141	10.8
111.04525	3.5
119.08567	19.4
121.10126	17.6
123.08047	5.6
125.09615	11.8
129.07025	3.9
133.10100	10.5
135.11682	18.6
139.11182	5.1
145.10036	5.0
147.11650	37.3
149.13161	7.9
151.11115	9.1
159.11664	5.0
161.13257	11.3
163.11153	17.0
163.14830	7.6
165.12735	14.7
171.11699	7.6
175.14795	5.8
189.12680	5.6
228.30719	4.1
241.19423	9.8
249.22063	9.4
259.20581	13.4
277.21619	69.6
323.25922	10.7
328.98990	4.6
337.22137	4.0
343.81696	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	323.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	15.3
55.05492	24.3
67.05490	58.3
69.07055	35.0
69.60352	14.4
69.60744	16.0
71.08635	9.5
79.05495	40.4
81.03410	77.5
81.07045	73.4
81.73241	6.8
83.04958	10.9
83.08643	10.6
91.05478	32.8
93.07036	48.0
95.04969	38.4
95.08592	28.6
97.10120	10.9
98.23444	15.8
105.07019	23.9
107.08585	28.5
109.06465	9.4
109.10133	27.0
119.08566	10.9
121.10139	9.4
123.11687	11.1
125.09621	15.9
133.10100	21.7
135.07986	8.2
135.11693	11.4
147.11659	12.3
149.13298	8.1
151.11154	46.8
153.09097	8.5
161.13263	13.6
165.12712	12.6
217.14374	11.2
231.21109	11.2
259.20554	13.4
277.21622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.0
55.05506	12.5
57.07065	3.8
58.06590	1.3
67.05495	17.4
69.03413	4.4
69.07060	20.3
70.16494	2.5
70.16838	1.5
71.04968	2.7
71.08603	1.8
79.05484	9.0
81.03400	1.6
81.07045	49.2
83.04948	1.9
83.08611	6.6
85.06528	7.5
87.04426	1.3
88.07600	3.4
91.05486	7.6
93.07033	18.1
95.04951	4.8
95.08592	38.1
97.02952	1.2
97.06509	5.1
97.10163	5.1
99.04501	1.3
99.08073	4.3
105.06996	9.6
107.08576	17.8
109.06496	2.7
109.10135	22.7
111.04425	2.3
111.08062	5.3
111.11714	2.9
113.09635	2.0
119.08558	9.6
121.06479	3.2
121.10112	13.0
123.04499	1.2
123.08077	1.3
123.11699	11.3
125.05959	2.5
125.09605	1.9
131.08546	2.8
133.10123	8.1
135.07979	2.1
135.11655	9.5
137.05980	2.3
137.09601	2.7
137.13223	4.5
139.11105	1.8
143.08543	1.4
145.10095	2.8
147.11681	4.3
148.03964	1.8
149.13251	7.3
151.11165	2.6
153.09093	2.2
157.10121	1.1
159.11627	2.7
161.13239	3.5
163.11188	2.8
163.14795	4.0
165.08997	1.4
173.13220	2.6
175.14804	2.7
177.16351	3.4
179.10638	1.9
181.12277	1.2
187.18915	1.5
191.17891	2.3
195.17302	1.5
203.08511	2.0
203.17937	1.6
219.08060	1.3
221.06984	1.9
223.16844	1.5
231.07973	2.5
231.21432	1.8
235.08643	1.8
237.06538	4.1
237.18762	1.4
248.08302	2.4
249.06525	3.4
249.18474	1.3
250.07312	1.6
251.08093	17.1
252.08751	2.2
259.07471	2.7
259.24246	1.9
260.07816	1.4
263.08078	4.6
263.10602	2.6
265.06015	15.3
266.08340	7.5
267.07648	12.3
275.24118	2.2
277.08627	1.8
277.25119	2.0
278.06699	1.9
279.07590	14.8
280.08337	15.3
287.23676	4.7
291.02408	1.1
291.07413	3.1
291.10092	4.5
292.10522	1.4
293.05542	4.5
305.17410	1.6
305.24725	11.8
307.06970	4.1
308.07846	72.7
309.08038	5.5
323.10175	56.3
323.14529	100.0
323.18253	11.7
323.25961	21.6
324.10498	5.4
324.14804	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03934	2.9
55.01613	1.8
55.01861	6.3
55.02125	1.6
55.05509	26.1
57.07066	12.3
65.03912	1.9
67.05497	29.1
67.97569	1.7
69.03426	14.4
69.07059	48.4
70.23792	3.8
71.04977	5.7
71.08604	4.1
79.05477	20.5
81.07047	71.6
83.04967	5.0
83.08611	22.1
85.02886	2.2
85.06533	5.8
85.10181	2.4
87.04437	2.4
91.05470	12.8
91.45595	1.7
93.07030	36.5
95.04964	9.4
95.08595	54.5
96.08921	1.9
97.02895	8.5
97.06512	9.9
97.10154	15.5
98.97541	2.3
99.04403	4.1
99.08089	4.9
105.07012	24.7
107.04970	2.1
107.08578	47.7
109.06504	7.1
109.10145	40.2
111.04432	12.8
111.08076	7.1
111.11703	7.7
113.02319	2.9
113.05975	1.7
115.03924	6.2
116.98663	3.6
118.23750	2.3
119.06061	2.1
119.08574	20.3
121.06459	9.4
121.10143	35.7
123.08035	5.9
123.11694	33.6
125.05970	12.2
125.09584	6.1
127.04079	1.7
129.07024	2.3
131.08531	4.2
133.10117	13.2
134.99670	1.6
135.08055	7.1
135.11685	23.4
135.69629	1.7
137.09628	5.1
137.13248	12.3
139.07559	4.6
139.11162	6.6
143.07013	1.9
143.08516	2.0
145.10097	11.3
147.11685	12.6
149.09596	5.8
149.13234	14.9
151.04041	2.0
151.11180	3.5
151.14780	1.8
153.09131	4.0
157.12114	2.5
159.11652	2.4
161.09532	5.0
161.13219	8.0
163.11179	21.1
163.14804	8.6
165.09105	2.2
167.10660	6.2
171.11646	2.6
173.09592	2.2
175.11041	3.0
175.14816	3.2
177.12704	3.0
177.16386	6.5
179.10645	4.6
179.14273	2.5
181.12253	6.8
189.16335	6.3
191.10652	19.0
193.12329	4.3
193.19510	2.5
195.13744	5.1
195.17392	2.6
201.16489	1.8
203.08492	3.8
203.17987	5.4
205.19630	1.9
209.15407	2.4
213.06609	5.7
213.16370	3.5
223.16856	2.1
231.17476	2.6
236.41858	1.9
245.22646	2.1
248.08176	2.6
258.99884	2.2
259.24185	9.8
263.10745	3.4
269.22763	4.1
276.07715	2.9
277.25217	11.4
287.23792	9.5
291.10095	6.5
305.17438	8.5
305.24695	21.7
308.07629	2.2
323.10101	5.6
323.18240	100.0
323.26050	11.2
324.18616	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	323.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	74.7
57.07064	54.3
62.06078	66.4
67.05495	68.6
69.07059	80.5
71.08630	26.0
81.07058	86.7
83.08608	49.0
85.10166	28.3
85.79493	21.3
91.05511	31.1
93.28600	18.1
95.08611	100.0
97.10162	33.6
105.06977	24.5
109.10164	63.6
121.10165	27.5
123.08002	30.1
123.11689	41.8
135.11679	22.8
137.09575	35.6
143.18567	17.7
161.09644	52.4
161.13203	29.3
205.12282	31.5
211.08067	21.9
263.27353	43.1
305.28101	22.9
323.24194	30.2
324.32443	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	324.1053
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
51.93670	0.6
55.01867	0.7
55.31509	0.6
56.05042	0.6
56.96560	0.5
57.03431	0.7
63.12068	0.6
64.11160	0.6
69.03419	2.3
70.06583	1.1
71.04974	1.4
71.06280	0.9
73.02947	0.6
74.06063	2.0
75.28046	0.6
79.05524	0.9
81.07034	0.7
84.08142	1.1
85.02888	2.6
85.06536	2.1
85.88537	0.6
89.03907	2.3
91.05483	0.9
97.02862	2.8
99.04446	0.9
103.05418	0.6
107.04937	1.3
109.02887	1.0
117.03382	2.8
117.90150	0.6
118.06555	1.4
120.08099	5.1
127.03902	2.0
127.07561	4.0
131.08141	0.9
133.02823	0.8
135.04391	7.9
144.04440	2.6
145.02826	4.2
145.04959	1.3
145.08632	0.8
159.07639	1.1
161.02200	1.1
162.02509	1.1
162.04274	0.6
162.05507	10.5
163.03882	37.5
163.45253	0.6
164.04242	0.7
166.08664	1.8
179.03334	2.1
181.04947	1.2
185.04199	1.7
208.08319	1.0
210.13055	0.7
268.36337	0.6
278.73911	0.7
292.23105	0.8
302.15082	0.6
307.07986	0.8
324.10516	100.0
325.10922	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1075
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
51.12679	1.5
52.38544	1.4
52.90448	1.6
55.01865	1.7
55.05498	1.9
56.96546	1.9
57.03430	14.4
57.16829	1.8
60.05674	1.7
61.02926	27.0
69.03059	2.4
69.03422	43.8
69.59999	5.6
70.06570	3.1
71.04981	1.9
73.02870	2.0
77.61838	1.4
79.05484	2.2
80.52204	1.6
81.03400	5.6
81.07027	1.9
83.04942	1.9
83.53027	1.5
84.04490	2.9
85.02395	2.8
85.02890	36.5
87.04458	23.9
91.03935	7.1
91.05485	3.2
93.07027	2.5
95.04957	1.9
97.02881	23.4
98.23421	2.9
98.97560	3.6
105.07004	2.1
107.08565	1.8
108.08110	8.7
115.03916	19.3
115.05405	1.9
116.04997	2.1
116.98612	2.9
117.05714	1.9
118.06529	7.7
120.08091	2.7
121.97924	1.5
125.99889	1.5
128.04912	1.9
130.04990	14.4
130.06451	7.9
132.04434	9.7
133.05135	15.2
135.04399	2.4
135.08025	2.5
135.11700	1.9
137.05922	2.0
144.04367	2.5
144.08061	20.2
145.02827	2.1
145.05188	2.2
146.05977	15.3
147.06721	2.4
148.07533	4.8
150.12738	2.5
152.14349	16.9
154.06433	2.4
154.15782	1.7
156.04427	23.4
157.05171	4.3
158.05983	5.5
160.03915	41.6
160.05261	2.5
160.07533	3.8
161.04582	3.2
163.03906	9.8
164.07065	2.8
170.05984	4.3
172.04005	8.9
172.07532	3.4
173.04691	1.7
174.05499	18.1
176.06999	3.4
177.04115	1.8
178.04970	13.9
182.06013	6.7
184.03918	91.2
185.04250	2.4
190.03751	1.4
190.04993	13.5
191.08150	10.1
192.06525	100.0
193.06824	2.7
196.16940	5.2
198.05478	9.8
202.04967	73.9
203.05293	1.8
204.06544	41.8
210.05544	7.9
210.07288	1.8
216.06532	41.1
220.06033	2.0
226.04829	8.4
226.08572	2.5
228.06470	14.3
230.08109	2.7
232.06055	2.0
234.07574	62.2
235.07832	2.4
238.04929	6.1
241.07356	1.8
242.08093	8.7
244.06007	6.1
249.08618	2.0
256.05969	6.3
258.07535	8.6
264.15854	3.1
265.94785	1.9
270.07587	12.9
274.07062	3.6
276.08557	3.3
281.18515	12.3
283.04861	4.3
288.08969	3.8
292.07935	3.8
307.12820	3.6
324.10672	67.5
325.10867	3.4
325.14471	2.0
325.21130	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	324.1955
Annotation	CW 69D
Peak:m/z	Relative Intensity
67.05507	1.6
69.03403	1.7
69.07076	0.7
72.95139	0.6
79.05482	20.6
81.07054	2.4
84.05634	1.6
87.04433	0.7
91.05474	1.4
91.53866	0.7
93.07026	2.5
95.04949	2.1
95.08627	1.8
97.02887	1.9
98.03212	0.7
103.05456	39.5
104.05797	1.0
105.04512	0.8
105.06998	2.2
107.04937	22.4
115.03925	1.5
116.04267	0.9
118.06509	5.2
119.08570	0.6
120.25774	0.7
121.06519	0.9
131.04909	13.5
131.08522	0.8
132.08067	2.7
133.08900	1.1
133.10069	0.9
146.09624	1.6
163.03871	1.8
176.14320	46.3
177.14655	2.3
184.00316	0.7
190.08434	0.7
190.45540	0.7
194.02858	0.7
248.14355	0.6
283.30917	0.7
324.19525	100.0
325.19839	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	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05495	1.6
57.05782	0.7
57.07069	0.6
64.75182	0.5
65.03931	0.4
65.13688	0.4
67.05496	3.8
69.07057	9.4
69.28098	1.2
69.28504	1.5
79.05474	4.2
81.07039	9.1
83.04976	3.0
86.09692	100.0
87.10021	1.2
91.05466	8.4
93.07030	11.2
94.32998	0.5
95.04957	3.2
95.08594	2.1
97.06496	0.5
98.22652	1.0
105.07015	13.6
106.03555	0.5
106.07388	0.6
107.07955	0.6
107.08589	3.5
109.06498	10.4
109.10143	1.6
111.08057	3.0
115.05442	0.6
117.06989	0.6
119.08575	4.1
121.06477	1.6
121.10135	1.5
123.08051	0.9
123.11703	0.5
123.86699	0.5
128.10696	4.5
129.06989	0.6
131.04950	1.1
131.08557	4.3
132.10182	29.6
133.06506	1.1
133.10109	17.6
137.05981	0.8
138.06300	0.5
147.11659	11.7
149.09605	1.3
149.13283	0.9
151.07570	2.5
151.11156	39.2
152.11514	1.6
156.10123	1.0
162.03133	1.6
165.12738	1.8
167.14253	0.9
174.11201	0.6
175.11174	5.3
181.75449	0.5
190.02599	2.7
192.13771	0.6
193.12215	5.1
195.08084	0.7
205.04919	11.3
210.14931	1.1
219.06554	1.9
222.14822	1.2
243.06509	1.3
257.08008	1.2
260.20053	7.8
269.08109	1.5
278.21124	29.0
279.21481	1.7
283.09457	1.1
299.09741	0.5
306.20572	5.2
324.13232	0.6
324.21640	15.3
325.14313	6.2
325.21851	0.8
334.90573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12321	0.8
69.03405	2.5
69.53889	2.9
81.06133	0.7
85.02866	3.7
97.02879	2.4
98.97556	0.9
102.96864	2.5
104.64401	0.7
115.03915	6.9
120.97929	1.0
124.54956	0.7
127.03890	2.9
127.97042	0.7
145.04948	1.3
147.06493	3.0
163.03831	3.7
163.08705	1.3
171.63466	0.7
175.73421	0.7
185.04228	2.3
223.01074	0.9
241.02092	1.3
283.06772	1.1
325.08875	100.0
326.09189	5.9
332.79544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61591	0.2
55.01881	0.2
56.38512	0.2
57.03413	0.4
61.02919	1.4
61.73577	0.2
63.02371	0.5
63.19964	0.2
69.03419	5.1
70.50092	0.4
73.36037	0.2
74.33928	0.2
79.05475	1.0
81.03411	0.4
81.07063	0.3
85.02896	0.8
88.36565	0.2
89.03901	5.0
95.04975	0.3
97.02855	0.6
107.04949	1.7
109.02834	0.4
117.02569	0.4
117.03368	7.1
120.81247	0.2
127.03885	2.2
135.04399	14.9
136.04697	0.5
145.02826	12.3
146.03165	0.5
163.03876	100.0
164.04213	3.0
181.04924	1.0
204.92705	0.2
252.06213	0.3
266.08023	0.3
267.20258	0.3
294.07602	0.5
307.08127	0.7
324.30695	0.4
325.09094	2.7
326.09927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0912
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.09826	0.2
61.02909	0.8
63.02374	0.3
63.96823	0.2
69.03059	0.3
69.03416	4.4
69.32475	1.0
77.03953	0.3
79.05463	1.0
81.03365	0.4
85.02888	0.5
89.03902	5.3
95.04958	0.3
97.02872	0.5
97.06510	0.3
98.22707	0.5
104.22686	0.2
104.87296	0.3
107.04952	1.9
108.48053	0.3
109.02827	0.3
112.75636	0.3
117.03361	7.5
118.03694	0.3
127.03886	2.5
132.50864	0.3
135.04395	16.0
135.48367	0.2
136.04716	0.6
136.45010	0.2
145.02823	12.9
146.03139	0.3
163.03873	100.0
164.04214	3.1
181.04921	1.3
307.08060	0.8
325.09134	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	325.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40158	0.3
61.02903	1.0
63.02358	0.4
67.05503	0.3
69.03418	5.4
69.29626	1.5
79.05473	0.9
85.02863	0.7
89.03902	5.5
93.07047	0.3
97.02859	0.6
98.23495	0.4
107.04962	2.0
109.02837	0.3
109.10109	0.3
117.02556	0.6
117.03356	9.0
117.07362	0.3
127.03873	2.2
135.04393	17.7
136.04663	0.4
145.02826	14.0
145.55782	0.3
163.03873	100.0
164.04182	2.0
181.04886	0.9
279.10336	0.3
294.12500	0.5
295.09567	0.3
302.61768	0.4
307.08054	0.7
325.09128	2.8
325.12680	0.4
341.05667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.5
61.02906	1.0
69.03422	4.4
69.32597	1.4
78.22363	0.2
79.05470	0.7
81.03413	0.5
85.02902	0.3
86.09715	0.3
89.03905	5.0
90.33765	0.2
97.02890	0.5
107.04935	1.4
117.03366	8.2
127.03901	2.1
135.04396	17.0
145.02826	11.3
145.91316	0.3
146.03123	0.3
163.03880	100.0
164.04227	2.8
181.04912	1.0
307.08105	0.7
325.09195	2.9
344.19794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.05489	0.4
57.03426	0.4
61.02919	1.4
63.02353	0.3
67.05477	0.7
69.03065	0.3
69.03413	4.3
69.07045	0.6
71.03362	0.3
71.04973	0.5
71.20833	0.3
71.44466	0.3
77.03929	0.3
79.05488	1.6
81.03383	0.5
81.07040	1.0
83.04973	0.7
85.02902	0.7
89.03895	4.7
91.05459	1.1
93.07017	1.1
95.04953	1.8
95.08607	0.4
97.02867	0.6
97.06506	1.4
103.57612	0.3
105.07005	1.2
107.04927	1.9
107.08562	0.5
109.10126	0.4
117.02562	0.5
117.03358	7.6
119.08573	0.9
121.06551	0.3
121.10078	0.5
127.03913	2.4
128.34854	0.3
129.07027	0.3
129.19981	0.3
131.08533	0.5
133.02899	0.4
133.06488	0.3
133.10110	0.7
135.04393	15.2
135.08017	0.4
136.04778	0.4
142.07774	0.3
143.08521	0.7
145.02824	11.3
145.10098	0.8
145.97307	0.3
146.03200	0.5
155.08524	0.4
157.10088	0.7
161.09737	0.4
163.03876	100.0
164.04205	3.0
169.10139	0.5
171.11699	0.4
181.04929	1.1
183.11661	0.5
185.09546	0.6
193.10153	0.4
195.11664	0.6
207.11522	0.5
209.13179	0.4
226.18329	0.3
227.14198	0.3
239.45955	0.3
279.21060	0.5
289.17740	0.3
294.12430	0.4
295.09717	0.4
307.07913	0.4
307.20667	1.3
325.09140	4.2
325.21613	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
52.14338	0.2
53.03937	0.6
55.01854	0.7
55.05501	0.6
57.03421	0.5
58.76498	0.2
61.02900	0.6
63.02350	0.4
67.05486	0.7
69.03420	9.8
69.07052	0.9
70.03739	0.3
70.80845	0.2
71.04978	0.7
73.02906	0.3
79.05476	2.0
81.02956	0.4
81.03407	3.5
81.07041	1.7
83.04973	0.5
84.04486	0.4
85.02886	2.0
86.09685	0.8
89.03905	6.3
90.79854	0.2
91.05457	1.4
93.07011	1.0
95.04951	0.8
95.08584	0.9
97.02856	1.8
97.06512	0.3
99.04453	0.6
103.05429	0.4
105.07029	1.0
106.06536	0.6
107.04939	2.5
107.08590	1.2
109.02876	2.1
109.06494	0.3
109.10123	0.6
117.03360	9.3
117.06982	0.3
119.08552	1.0
121.10140	0.6
123.11682	0.4
127.03880	3.7
130.06555	0.3
131.04889	0.5
131.08553	0.3
132.04446	0.8
133.10144	0.5
134.06023	0.5
135.04398	19.7
135.08011	0.4
135.11665	0.4
136.04733	0.6
137.05975	1.2
141.06958	0.3
142.06552	0.5
144.08067	0.9
145.02823	13.5
146.03139	0.3
147.08006	0.3
147.11650	0.5
151.07495	0.6
151.11116	0.5
152.11543	0.3
160.07559	0.5
161.05981	0.3
162.05484	0.3
163.03876	100.0
164.04210	2.9
164.07031	1.0
169.06476	0.3
170.05974	1.1
172.07584	0.7
175.07509	1.0
181.04955	1.1
187.08704	1.1
188.07014	0.9
191.08142	1.2
200.06830	0.2
201.05400	0.3
201.94748	0.2
205.06419	0.4
215.08121	1.3
216.06494	0.8
222.06877	0.2
230.08031	0.5
233.09129	0.6
241.43747	0.3
244.06059	0.4
250.06197	0.4
253.08659	0.3
275.06897	0.2
275.10199	0.4
276.08624	1.7
279.10120	0.3
280.06042	2.2
293.07965	0.8
293.11270	2.2
294.12228	0.4
307.08136	2.6
307.12762	0.5
325.09933	0.9
325.14218	0.8
325.19717	2.7
326.06265	0.5
327.14575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0912
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03934	1.9
55.01859	0.6
55.05481	0.5
57.03416	0.9
63.02360	0.5
67.05486	0.6
69.03421	5.6
69.07053	0.7
71.04974	1.0
73.02873	0.3
77.03900	0.4
79.05460	2.0
81.03403	13.2
81.07031	1.0
82.03731	0.3
85.02396	0.6
85.02887	5.0
89.03374	0.5
89.03900	7.6
91.05463	1.0
91.76926	0.4
93.07002	0.7
95.04962	0.9
95.08592	1.2
97.02860	1.3
99.04443	1.7
105.04503	0.4
105.07016	0.9
107.04939	2.8
107.08550	1.0
109.02855	6.1
109.10123	0.4
115.05440	0.3
117.03364	11.4
119.08540	0.5
121.10071	0.4
127.03879	2.0
135.04390	19.8
135.08020	0.9
136.04710	0.5
145.02820	13.2
145.06505	0.4
146.03235	0.4
148.52687	0.3
163.03871	100.0
164.04182	2.3
175.07401	0.4
179.56038	0.3
181.04927	2.2
191.08257	0.4
254.55482	0.3
279.07596	1.2
280.09686	0.5
294.09625	0.4
294.12585	0.7
295.06921	0.7
295.09732	0.4
307.08051	12.7
307.26202	0.3
308.08380	0.8
325.08643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0912
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.01601	0.4
53.03931	1.7
55.01860	0.7
57.03426	0.9
61.02929	0.5
67.05487	0.6
69.03419	6.9
69.07051	0.6
69.48810	0.8
69.49189	0.7
70.63396	0.3
71.04973	1.3
73.02901	0.7
77.67345	0.3
79.05477	1.6
81.03406	17.6
81.07034	0.8
85.02897	5.5
89.03900	7.1
90.24013	0.4
91.05428	0.7
95.08578	0.6
97.02872	2.1
99.03855	0.3
99.04419	2.1
105.07029	0.6
107.04931	2.6
107.08572	0.8
109.02866	6.5
117.03358	9.5
119.08514	0.5
121.10126	0.4
127.03883	2.0
133.02835	0.6
135.04395	19.6
135.08011	0.6
137.05992	0.9
141.06895	0.5
145.02821	16.2
154.67267	0.4
163.03871	100.0
164.04198	2.8
181.04910	2.4
191.08165	2.8
215.96841	0.4
221.73439	0.3
253.60577	0.3
256.26456	0.4
265.07062	0.5
280.05960	1.0
293.11813	0.4
294.12637	0.4
307.08063	12.6
307.11978	0.6
307.12927	0.5
308.08347	0.7
325.09030	1.2
325.13953	0.6
325.20117	0.4
326.06607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03931	1.3
55.01854	2.3
55.05504	0.3
55.47387	0.3
57.03428	2.8
57.07049	1.1
59.04981	1.0
61.02903	0.9
61.70353	0.3
63.02326	0.3
67.05489	0.6
69.03417	11.8
69.74145	0.3
71.04980	2.1
71.08612	0.7
73.02910	1.6
79.05489	2.1
81.03402	7.5
81.07032	1.9
84.04504	0.3
85.02893	5.3
85.06535	1.6
87.04491	0.3
89.03901	7.1
91.05442	0.8
93.07005	0.4
95.04934	1.1
97.02872	8.7
98.97547	0.4
99.04440	10.1
99.08065	2.2
100.04753	0.4
101.02347	1.1
103.07561	7.0
105.07012	0.7
107.04937	2.6
107.08540	0.4
108.04402	0.3
109.02859	6.1
109.06512	1.7
111.04431	0.4
117.03358	9.6
117.09101	5.8
123.04406	0.9
127.03891	19.5
127.07529	4.3
128.04196	0.4
131.07043	0.4
131.08464	0.3
133.02824	1.5
135.04395	20.3
135.08040	0.4
137.02312	0.3
137.05928	1.1
139.03877	0.6
140.67017	0.3
145.02820	13.9
145.04953	1.2
145.06471	0.6
146.03189	0.5
147.04413	0.6
149.05898	0.4
150.06807	0.3
158.03580	0.3
161.05838	0.3
163.03873	100.0
163.09584	1.3
164.04211	3.2
169.27643	0.3
171.41507	0.3
175.07489	0.4
177.05484	1.7
179.07108	0.3
181.04947	2.4
201.05350	0.3
205.06601	0.4
205.08543	0.5
213.18045	0.3
235.05791	0.7
307.07996	2.4
314.69812	0.3
325.09064	1.7
325.12799	1.4
336.89844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.85383	0.2
53.57940	0.2
55.01849	0.3
55.05492	0.9
57.03412	0.4
57.07063	0.5
61.02929	1.4
67.05514	1.2
68.70556	0.3
69.03421	5.9
69.07053	2.4
69.18095	0.9
69.18508	0.5
71.04964	0.5
79.05481	2.1
81.03397	0.9
81.07046	3.5
83.04964	0.5
83.08599	0.6
85.02888	2.0
85.06525	0.6
89.03909	5.5
91.05464	0.9
93.07045	1.2
95.04979	1.2
95.08591	2.7
97.02880	1.1
97.06520	0.6
97.10173	0.4
99.04462	0.5
99.08093	0.4
103.05468	0.3
105.06994	0.8
106.92354	0.2
107.04935	1.9
107.08598	1.4
109.02855	0.6
109.06516	0.4
109.10129	1.8
111.08040	0.4
111.11711	0.4
117.03362	7.8
119.08599	0.7
120.08038	0.3
121.02860	0.4
121.10102	0.9
123.04447	0.3
123.08038	0.5
123.11689	0.6
125.09616	0.4
127.03898	3.2
131.04863	0.4
133.10124	0.4
135.04398	17.3
135.08009	0.4
135.11662	0.6
136.04709	0.4
137.05983	0.6
137.09468	0.2
137.13301	0.3
139.11154	0.3
145.02826	12.2
145.10068	0.5
147.11626	0.6
149.13315	0.3
151.07486	0.3
154.40063	0.2
157.10112	0.2
161.13249	0.4
163.03877	100.0
164.04221	2.7
165.12698	0.3
175.14796	0.3
181.04933	1.0
191.08125	0.3
222.06709	0.3
231.23956	0.3
235.07558	0.3
251.10670	0.5
254.09230	0.4
265.08545	0.3
279.10098	0.4
289.25140	0.3
293.08151	0.3
294.12402	1.0
295.09708	0.4
297.11438	0.4
307.08032	0.6
307.26239	0.7
310.08401	1.0
310.12000	0.7
325.10306	1.9
325.16116	6.4
325.19806	0.6
325.27304	0.4
326.10342	0.3
326.16754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.05501	0.4
57.03410	0.3
61.02905	1.0
62.85740	0.3
67.05489	0.5
69.03421	6.0
69.07047	0.6
70.03173	0.8
71.04975	0.5
72.47498	0.3
79.05481	1.2
81.03405	0.6
81.07040	1.1
85.02903	1.4
89.03903	4.7
91.05463	0.5
91.63673	0.3
93.07039	0.5
95.04945	0.7
95.08586	0.9
97.02869	1.0
105.07042	0.3
107.04946	2.1
107.08566	0.4
109.06502	0.4
115.03920	0.3
117.03372	7.3
121.02861	1.6
121.10082	0.3
127.03897	2.6
131.04941	0.3
134.36276	0.3
135.04407	15.4
135.08057	0.3
136.04707	0.3
137.05960	0.5
145.02840	11.9
161.06081	0.4
163.03888	100.0
164.04248	2.9
165.06905	0.3
175.07524	0.3
177.05493	0.3
181.04965	1.2
181.06421	0.4
194.07312	0.6
195.08002	0.5
198.46242	0.3
201.05400	0.4
205.06491	0.6
210.06693	0.4
222.06697	0.4
223.07500	0.4
233.05890	0.5
235.07474	0.3
237.09200	0.5
239.06987	0.7
250.06216	0.5
251.06979	0.4
251.10530	0.3
253.08615	0.9
265.08575	0.8
269.11835	0.6
279.10040	0.4
282.08563	0.3
292.06918	0.4
293.08096	1.0
294.12497	0.3
297.11273	0.5
307.09464	0.8
325.10095	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1064
Annotation	3,4-Methylenedioxy-2'-methoxy-[2'',3'':4',3']-dihydrochalcone
Peak:m/z	Relative Intensity
51.02360	1.3
53.03942	1.4
55.01864	1.2
55.05507	0.7
56.16505	0.6
57.48067	0.6
65.03913	0.8
68.04928	0.5
69.03404	2.1
70.57360	1.0
74.01763	0.5
77.03913	3.5
78.04700	1.4
79.05478	2.7
81.03394	1.9
81.07040	0.9
85.02880	1.7
89.03908	10.4
91.05464	10.2
93.07024	1.6
94.04162	1.7
95.04959	4.1
97.02889	0.9
100.11205	0.9
102.04663	0.6
103.05466	1.5
105.03388	6.7
105.04474	1.1
105.07005	0.7
106.04156	1.3
107.04936	2.7
107.08593	4.6
109.02870	1.7
109.06485	1.3
115.05408	1.2
117.03351	7.0
117.07021	1.4
119.04913	7.4
121.06485	2.5
122.03637	4.3
123.04403	0.7
127.03835	0.7
129.07016	0.6
130.04147	1.2
131.04892	0.9
133.02827	100.0
134.03514	2.0
135.04402	7.9
135.08029	2.4
137.05952	19.7
143.04922	0.9
145.02834	4.6
145.06427	2.0
147.04390	5.3
149.05956	10.8
150.06735	8.2
151.03889	1.5
157.03928	1.2
158.03592	2.7
161.05933	5.1
163.03880	14.8
163.07501	2.5
164.04199	0.7
165.05495	9.9
165.06981	2.0
173.05884	4.1
175.03902	8.3
175.07544	1.2
176.06230	1.7
177.05482	1.5
177.06966	3.3
186.03136	2.8
189.07018	1.0
191.08200	0.8
193.06485	0.7
194.07210	3.1
201.05415	19.9
202.05846	1.0
204.05681	1.5
205.04836	1.9
205.06482	8.3
211.07535	0.7
219.08028	1.3
221.05988	4.6
222.06683	4.9
223.07324	0.7
225.09116	0.7
227.06947	0.7
233.05968	7.7
234.06749	1.6
237.09000	3.8
239.07095	1.5
247.07458	1.7
249.05437	5.3
250.06230	5.8
251.06908	1.6
253.08543	0.7
261.05408	1.9
264.07788	3.4
265.08563	6.7
266.09320	1.0
267.06430	1.1
275.07025	0.6
277.04895	1.6
278.05664	2.5
279.06519	0.7
279.09897	1.3
282.08694	1.1
292.07220	6.3
293.08032	8.7
293.11224	1.1
294.08652	0.8
295.06091	0.8
297.11105	1.8
307.09677	8.8
310.08316	1.2
325.10660	14.3
325.14224	2.3
326.10931	0.8
326.27768	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96378	1.4
53.03934	2.3
55.01861	2.8
55.05497	3.4
55.17241	1.5
57.02306	1.7
57.03415	5.9
61.02917	7.6
67.05493	2.9
69.03416	25.6
71.04974	6.8
73.02906	4.2
79.05492	2.5
81.03413	11.7
81.07052	1.7
83.01362	1.7
84.08117	3.8
85.02892	92.3
85.06530	3.3
89.03895	5.7
91.03960	3.9
95.04919	1.7
96.85133	1.4
97.02882	20.0
99.04437	4.8
103.07594	7.5
107.04929	4.3
107.08578	3.4
108.82616	1.6
109.02884	8.8
117.03367	8.1
119.08527	2.1
127.03894	23.4
129.06985	3.2
135.04387	19.7
135.08047	2.3
137.05939	2.4
145.02859	12.7
145.04933	22.2
147.09131	3.3
147.11679	2.7
153.09071	3.2
157.06448	1.7
163.03888	100.0
163.06073	4.8
164.04224	2.5
177.05209	1.5
181.04932	1.9
190.09683	2.0
191.08168	15.1
191.09915	2.7
211.06862	3.1
267.72229	1.6
307.12839	3.6
308.09091	5.3
325.07706	2.6
325.10870	4.2
325.15460	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	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
57.03429	4.6
57.50728	0.9
61.02918	4.9
69.03423	16.7
71.42717	1.0
73.02908	2.2
75.29593	0.8
79.05485	1.7
81.03415	6.1
85.02897	52.8
89.03906	5.8
91.03955	3.7
91.05476	2.0
97.02890	12.5
98.25745	0.9
99.04452	1.9
107.04971	2.1
109.02856	5.0
117.03381	8.7
127.03899	14.9
133.02841	2.7
135.04405	13.3
137.05945	1.2
145.02849	11.4
145.04921	13.2
145.23045	0.9
147.04443	1.0
149.05927	1.2
163.03888	100.0
163.06088	3.2
164.04248	2.9
181.04927	1.8
191.08243	6.2
201.05504	2.3
205.04878	1.7
233.06056	1.4
249.30511	1.3
288.11407	0.9
307.09573	1.0
307.12946	1.3
325.10089	1.9
325.13736	1.1
330.74527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.1
55.14440	1.6
56.96571	4.4
57.03428	7.7
61.02913	6.6
64.68905	1.6
69.03425	31.9
69.73754	6.5
71.04982	3.8
73.02909	6.6
75.52899	1.8
77.48625	1.6
81.03418	5.1
85.02895	100.0
91.03960	2.3
97.02883	30.8
98.23384	2.6
98.97591	5.5
99.04455	7.7
101.02381	5.3
109.02885	7.3
115.03949	4.2
116.98627	4.6
118.53468	1.9
127.03901	56.4
130.48227	1.7
145.04955	34.1
163.03987	2.4
163.06013	5.7
179.66328	1.6
193.00291	2.8
213.03455	2.3
223.01277	2.2
290.42093	2.0
325.14044	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	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01869	2.8
57.03216	0.3
57.03437	3.5
59.04996	0.4
60.33850	0.3
61.02930	1.0
61.70615	0.3
63.02357	0.3
69.03422	20.6
69.45568	1.4
70.03743	0.4
71.01346	1.2
71.04980	5.6
72.85535	0.3
73.02908	1.1
74.76227	0.3
75.04488	0.4
79.05475	0.8
80.28928	0.3
81.03409	20.6
81.18719	0.3
83.04986	0.4
85.02880	3.4
89.03912	5.9
91.05458	3.0
93.07042	0.4
95.04934	0.7
97.02883	7.5
98.22733	0.6
99.04448	7.5
101.02380	0.4
105.03370	0.6
105.07050	0.4
107.04958	1.8
107.08569	1.4
109.02872	0.8
109.06522	0.4
109.15945	0.3
110.35242	0.3
115.05486	0.4
116.04957	0.6
117.03365	7.2
117.05465	1.9
117.07011	0.3
118.06522	7.3
118.85189	0.3
119.04922	0.9
121.06470	0.3
122.03645	0.6
127.03909	1.1
127.36472	0.3
133.02834	6.5
133.06364	0.3
135.04398	13.1
135.08020	0.5
136.04718	0.4
137.05952	2.3
145.02831	9.0
145.03931	0.7
145.07581	8.2
145.08710	0.6
146.03194	0.5
147.04381	0.8
147.09140	8.9
148.06346	0.4
149.02316	0.4
149.05966	1.1
150.06697	0.6
158.03670	0.3
159.09158	0.3
161.05942	0.6
162.07843	1.0
163.03882	70.1
164.04240	2.1
164.07027	0.6
165.05469	0.9
165.06874	0.3
170.56108	0.3
172.06282	0.4
173.07094	13.0
175.03886	0.6
175.08658	5.8
176.05978	0.3
177.07021	0.6
179.07083	0.6
181.04936	1.7
186.03090	0.5
187.08693	0.5
191.08127	100.0
192.08510	4.0
194.07193	0.8
201.05502	1.9
203.08205	0.6
205.04909	0.8
205.06488	1.2
205.09709	0.6
213.10065	0.3
215.11905	0.4
221.05890	0.4
222.06776	0.7
228.48792	0.3
231.11153	0.4
233.05881	1.2
233.09192	1.2
234.06723	0.5
237.09026	0.8
249.05235	0.4
250.06213	0.9
251.06932	0.4
264.07684	0.8
265.08530	1.0
267.06311	0.3
271.10715	0.5
278.05667	0.6
279.10263	0.3
281.14630	0.3
289.11966	1.8
292.07281	1.2
293.07996	1.9
297.11197	0.4
307.07648	0.9
307.09378	1.9
307.12802	31.0
308.10046	0.4
308.12973	1.8
325.09650	3.1
325.13864	20.3
326.14200	1.2
338.07751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77205	0.6
53.03924	1.8
54.19980	0.5
55.01835	1.7
56.87806	0.5
57.03411	2.3
61.45111	0.5
63.51384	0.5
69.03424	15.1
69.38163	1.3
69.38564	2.1
70.72406	0.6
71.01334	1.3
71.04990	5.2
73.02888	0.9
74.76020	0.6
81.02961	1.0
81.03407	15.9
83.92330	0.5
84.07144	0.5
91.05470	0.8
99.04446	5.8
116.04919	0.9
117.05446	2.1
118.06525	5.8
135.04390	0.7
145.07593	6.6
147.09143	7.3
149.66620	0.6
162.07835	0.6
163.03862	3.6
163.08624	1.6
173.07101	10.6
175.08647	5.3
191.08130	100.0
192.08513	3.1
213.10127	0.8
215.11807	0.6
233.09131	1.2
252.34065	0.6
271.10861	1.0
289.11755	1.8
307.12833	33.9
308.13019	1.5
325.13919	21.8
326.14206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05477	0.4
55.30508	0.2
55.69604	0.2
57.03423	0.5
57.07057	0.5
64.64507	0.2
65.03909	0.3
67.01848	0.3
67.05477	0.7
68.99769	0.8
69.03403	0.4
69.07042	0.5
69.63371	0.9
71.08615	0.8
77.03899	0.4
78.04681	0.3
79.05488	2.0
81.00501	0.2
81.07059	1.1
81.56801	0.2
83.01339	1.6
83.22541	0.2
85.10167	0.3
91.04933	0.3
91.05472	4.2
93.07028	3.6
95.04935	1.0
95.08576	0.9
97.06519	0.6
98.23419	0.4
103.05452	1.4
105.04539	0.3
105.07006	3.4
106.04147	0.4
107.04906	0.3
107.08577	6.2
109.06492	0.8
109.10138	0.2
109.54484	0.2
115.05421	0.4
117.07059	0.3
119.04910	0.5
119.08530	1.4
120.05707	0.3
121.02827	0.4
121.06491	7.0
121.10136	3.0
124.03847	0.3
129.05449	0.6
129.06918	0.3
131.04901	6.4
131.08510	0.4
133.06470	0.4
133.10106	5.7
134.03639	1.5
135.08052	0.2
135.11668	0.3
143.04901	0.5
147.04401	0.7
149.02330	0.4
149.05959	3.5
155.14255	0.5
159.04407	2.8
161.02281	0.3
162.03096	14.2
163.03560	0.4
163.07521	0.8
171.04414	0.5
173.05983	0.3
177.05446	2.7
181.06479	0.6
190.02577	23.0
191.02924	0.6
191.07011	1.0
193.04948	0.5
195.07974	1.1
198.52960	0.2
199.03859	1.4
203.03479	0.5
204.04153	0.7
205.04929	100.0
206.05261	3.5
209.09460	0.3
209.19044	0.3
213.05469	0.8
219.06487	11.2
220.06711	0.3
229.04898	0.3
231.06473	1.4
233.08109	1.4
245.08089	1.5
246.07744	0.2
251.07031	0.2
251.19978	0.2
257.08069	0.3
259.09521	0.4
269.08026	0.9
282.08893	0.3
283.09564	3.1
297.11273	1.2
325.14279	18.8
326.14746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Spathelia bischromene
Peak:m/z	Relative Intensity
51.25426	0.5
53.03937	0.6
55.01867	0.7
65.03922	0.8
67.05479	0.8
68.99768	0.7
69.21853	3.0
79.05479	3.6
81.07031	0.7
83.01327	1.6
91.05473	8.0
93.07036	7.4
95.04927	1.6
95.08581	0.7
98.22677	1.1
103.05432	2.0
105.04498	0.7
105.07017	6.6
107.04939	1.3
107.08578	18.3
109.06529	1.3
115.05424	1.5
117.07018	1.1
118.35095	0.5
119.04939	0.9
119.06096	0.8
119.08558	1.5
121.02840	1.9
121.06473	6.3
121.10115	1.9
124.76437	0.6
129.06989	2.2
131.04895	9.0
133.10141	4.4
134.03624	1.7
135.04376	0.8
141.06903	0.7
143.04912	2.0
145.06441	0.8
147.04420	1.2
149.02281	0.7
149.05960	3.8
152.06152	0.9
153.06927	0.7
157.06505	3.1
159.04372	5.3
161.05928	1.0
162.01834	0.9
162.03105	13.0
163.03824	2.3
163.07536	1.7
165.06969	1.8
166.07722	1.1
167.08527	1.6
169.06435	0.8
171.04399	2.2
173.05975	1.2
177.05489	3.5
178.07727	0.9
179.08533	1.2
181.06430	3.7
182.39568	0.5
183.07881	0.8
185.05928	3.1
188.04634	0.9
188.92842	0.5
189.05428	2.1
190.02586	22.6
191.02951	0.6
191.06992	1.1
193.04944	0.7
194.07181	1.2
195.08015	16.7
197.06042	0.7
198.06717	0.8
199.03900	6.2
200.04674	0.7
201.05447	0.8
203.03397	0.9
203.06926	1.9
204.04103	1.1
205.04932	100.0
206.05310	3.7
207.08035	1.1
209.09570	4.7
211.07509	1.0
213.05446	9.7
213.08871	0.6
217.08545	1.2
219.06480	22.5
220.06825	1.0
221.09479	0.6
222.06714	1.4
223.07549	5.6
224.08395	0.8
225.05421	1.1
226.06209	0.9
227.10703	1.1
229.04851	1.0
230.05678	1.7
231.06485	6.2
233.05972	0.6
233.08046	9.5
234.08511	0.7
237.09123	2.5
239.06937	1.6
240.07780	2.0
241.08427	0.7
245.08049	13.0
246.08450	0.7
250.06174	1.4
251.06984	2.1
251.10455	0.7
253.08556	1.5
254.09314	1.1
255.10257	0.6
257.08109	1.2
259.09723	0.6
260.61923	0.5
264.07809	0.7
265.08527	1.6
267.06485	2.5
267.09830	0.6
268.07220	2.5
269.08032	5.6
269.11591	1.0
271.09656	0.9
281.08157	0.6
282.08740	0.8
283.09595	34.1
284.10068	1.7
293.08066	1.2
297.11133	12.1
298.11566	0.9
307.09592	0.8
325.10712	4.1
325.14267	53.7
326.14529	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	325.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.05500	0.6
57.03444	0.2
65.03929	0.3
67.01875	0.2
67.05493	0.5
68.99785	0.8
69.03407	0.5
69.07050	0.4
69.89035	0.4
69.89367	0.5
77.03942	0.3
79.05478	1.4
81.07044	0.8
83.01328	1.5
85.02902	0.4
91.05467	4.2
93.07039	2.8
95.04951	1.2
95.08585	0.8
98.23096	0.7
103.05442	1.6
105.04491	0.6
105.07015	3.7
106.04157	0.6
107.04933	0.4
107.08581	6.3
109.06516	1.2
109.10118	0.5
115.05447	0.5
117.07010	0.3
119.04919	0.8
119.06052	0.3
119.08591	1.4
120.61007	0.3
121.02865	0.5
121.06496	6.4
121.10129	2.9
127.36427	0.3
128.06177	0.3
129.07027	0.4
131.04907	7.4
131.08540	0.4
132.05228	0.2
133.02812	0.3
133.06432	0.3
133.10114	4.3
134.03625	1.8
135.08072	0.2
137.05989	0.4
141.48212	0.2
143.04872	0.3
145.06534	0.3
147.04376	1.0
149.02325	0.6
149.05956	2.9
152.06186	0.4
153.06847	0.2
159.04382	3.3
159.05545	0.4
160.36287	0.2
161.05888	0.3
162.03094	15.1
163.03827	1.3
163.07571	1.3
169.06517	0.2
171.04358	0.7
173.05997	0.4
175.03862	0.3
176.04628	0.4
177.05473	3.3
178.07623	0.3
179.08490	0.3
181.06490	0.7
185.05946	0.4
189.05417	0.5
190.02588	22.7
191.03040	0.7
191.07002	0.8
193.04961	0.4
194.07220	0.4
195.08063	1.9
199.03883	2.0
201.05472	0.3
203.03467	0.3
204.04138	0.5
205.04935	100.0
206.05283	3.0
207.06474	0.3
209.09583	0.9
213.05428	1.6
216.04198	0.3
219.06487	11.5
220.06787	0.4
222.06778	0.5
223.07513	0.8
229.04823	0.5
230.05797	0.3
231.06477	2.3
233.05875	0.3
233.07983	1.8
235.07381	0.3
237.08992	0.5
239.07106	0.3
240.07788	0.6
243.06444	0.3
243.31853	0.2
243.34309	0.2
245.08133	2.7
246.07733	0.5
254.09380	0.3
255.06612	0.4
257.08017	0.8
265.08554	0.6
267.06702	0.3
269.08081	1.3
279.10245	0.2
283.09576	5.2
293.07874	0.6
295.09476	0.3
297.11148	2.3
307.09613	0.3
310.11942	0.4
325.10666	2.3
325.14270	23.5
326.11273	0.3
326.14484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
61.28566	0.4
68.99785	0.8
70.09892	0.9
79.05470	1.5
83.01311	1.5
91.05459	3.7
93.07043	2.2
95.04959	0.6
100.69002	0.4
103.05424	1.3
105.04502	0.6
105.07011	2.5
106.04139	0.8
107.08578	4.0
114.84544	0.4
115.05444	0.4
119.04892	0.5
119.08540	0.4
121.06489	7.9
121.10132	1.6
124.29067	0.3
131.04909	5.4
133.10103	2.5
134.03632	1.4
143.04858	0.4
147.04428	0.9
149.05951	3.4
159.04396	1.8
162.03102	13.8
163.03751	1.0
163.07477	0.9
165.44125	0.4
171.04301	0.4
177.05507	2.4
185.05890	0.4
190.02583	20.2
191.02951	0.6
191.07021	1.2
195.08075	0.8
196.34375	0.4
199.03868	1.4
205.04930	100.0
206.05246	3.6
209.09561	0.4
213.05453	0.9
219.06488	7.4
231.06509	1.6
233.07944	1.8
245.08112	2.4
269.08044	0.8
283.09552	2.4
297.11115	1.4
325.10468	1.5
325.14215	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	325.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23659	0.4
53.03938	1.4
55.01865	1.5
55.05508	0.6
57.03434	4.1
57.07062	2.9
59.04995	0.6
61.02920	0.8
67.05482	0.8
69.03423	9.2
69.50098	0.4
70.88458	0.4
70.88801	0.4
71.04976	2.1
72.08144	0.7
73.02892	1.2
79.05478	1.8
81.03399	7.2
81.07046	2.1
85.02892	7.2
85.06521	3.9
89.03911	6.1
93.17023	0.5
95.04967	0.7
97.02883	6.8
99.04437	7.0
99.08081	2.4
101.02367	0.7
103.07565	15.2
105.07037	0.6
107.04942	2.6
107.05617	0.4
109.02869	6.3
109.06490	1.4
113.06020	0.6
117.03361	9.6
117.09119	7.0
118.03664	0.4
127.03899	13.3
127.07538	5.6
128.04210	0.5
131.07018	1.0
132.08078	1.6
135.04396	16.8
145.02835	12.7
145.04915	1.3
145.08578	1.0
163.03880	100.0
163.09601	3.3
164.04254	2.9
181.04938	2.6
280.11761	0.4
286.89175	0.5
294.12433	0.6
307.08035	3.2
325.09088	1.7
325.12799	0.9
325.18057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	15.4
57.07069	21.0
57.27762	1.2
61.02917	2.9
64.28391	1.4
67.05480	3.6
69.03419	10.9
69.75491	4.2
69.75843	1.6
71.04976	2.7
75.91699	1.5
79.05507	1.8
81.03426	4.6
85.02898	29.8
85.06530	21.4
95.04958	4.0
97.02905	7.3
101.06001	5.0
103.07571	100.0
109.02863	3.4
113.06022	2.6
116.75212	1.4
127.03925	4.7
127.07539	12.5
131.07010	4.1
135.04453	2.9
137.05986	1.8
145.08582	5.9
151.03877	1.6
163.03908	9.7
163.09666	18.2
325.13629	1.5
325.17429	2.4
326.42136	1.6
334.67874	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
52.47044	0.4
53.03942	1.0
55.01860	3.2
55.05507	4.9
57.03419	1.4
57.07067	0.7
58.06585	0.5
60.28010	0.4
67.05497	15.5
67.05862	0.9
67.10258	0.4
68.05824	0.5
69.03421	23.5
69.07058	7.2
70.03783	0.4
70.88530	0.4
71.04972	1.4
73.02898	0.7
77.03928	0.4
78.11965	0.4
79.01844	2.8
79.05482	10.2
81.03400	1.1
81.07047	41.0
82.07383	0.7
83.04978	3.8
83.08611	3.1
85.02885	1.1
85.06527	2.8
90.19775	0.4
91.05464	14.7
93.07034	8.4
95.04967	2.0
95.08591	10.6
97.02881	100.0
97.06505	3.9
98.03219	1.4
99.08073	1.8
105.07017	18.6
106.07323	0.5
107.04942	1.3
107.08582	6.6
109.06489	2.9
109.10128	1.4
111.04405	0.6
111.08062	0.6
113.05972	0.7
115.03104	0.9
115.03915	18.7
117.03327	0.5
117.07000	0.6
119.08565	12.9
120.27028	0.4
121.10127	8.9
123.08070	1.6
123.11692	13.0
127.03918	0.4
127.07534	1.2
128.97331	0.4
129.07011	1.2
131.08548	1.0
133.04979	1.1
133.10117	2.9
135.04433	1.3
137.05989	0.9
137.09660	0.6
137.13284	2.0
141.09158	0.4
142.07851	0.6
145.02834	0.9
145.10179	0.5
147.11662	38.5
148.12013	1.0
149.09604	1.0
157.10065	2.9
163.02623	0.7
163.03896	7.4
165.12737	30.5
166.13058	1.0
175.11192	4.5
183.13774	2.1
193.12193	5.6
196.55049	0.5
211.13321	1.2
229.14290	2.7
230.11673	1.1
235.06261	2.0
236.06934	3.1
250.08609	1.1
251.05771	2.3
252.06563	0.7
265.09641	0.5
266.08081	1.3
279.05298	1.2
279.10312	0.7
280.06027	0.6
294.07544	6.4
294.12552	1.1
297.16870	3.7
307.15326	0.4
310.11990	0.4
325.12476	0.7
325.16461	10.8
325.19867	0.8
326.10269	3.0
326.17053	0.6
332.51358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01871	1.9
55.05499	16.4
57.03432	9.9
57.07064	6.9
58.06582	1.4
65.03935	2.0
67.05493	97.1
68.05832	1.7
69.07062	11.7
71.04977	5.1
75.04457	1.1
77.03944	1.2
79.05479	62.6
81.07043	100.0
82.07383	1.4
83.04967	2.5
83.08614	9.0
85.06533	4.6
91.05467	28.4
93.07027	76.2
94.07378	1.7
95.04971	8.9
95.08590	63.2
96.08897	1.2
96.26809	1.1
97.06533	6.4
97.10152	2.5
99.08087	8.0
99.22534	1.0
105.04507	2.0
105.07011	24.0
106.12721	1.1
107.08578	41.2
109.06514	4.9
109.09409	2.3
109.10139	40.0
109.90437	1.0
110.10464	1.0
111.08044	2.7
113.09612	3.0
117.06998	13.5
119.08560	19.2
121.06564	1.5
121.10124	58.5
122.10529	1.0
123.08060	2.5
123.11682	29.5
124.12048	1.2
125.09615	3.7
129.06964	2.0
130.07796	1.2
131.07645	2.1
131.08551	26.9
133.10107	18.6
135.07993	1.8
135.11668	58.9
136.12001	1.3
137.09573	2.5
137.13199	6.5
139.11165	1.4
143.08504	2.4
144.09319	1.8
145.10106	20.1
147.08063	1.2
147.11656	14.4
149.09567	3.1
149.13242	22.8
151.11153	3.6
155.08519	1.7
157.10097	2.9
158.39029	1.1
159.11679	20.8
161.11919	1.0
161.13174	5.0
163.03865	4.0
163.11134	3.2
163.14783	2.2
165.12642	1.0
167.08507	1.1
169.10132	1.6
171.07854	1.5
171.11604	2.5
173.13226	16.1
175.14764	1.7
177.12729	3.1
179.08582	1.2
181.10097	2.5
182.10791	1.2
185.09573	2.6
187.14798	4.1
189.16348	3.4
191.14243	1.8
191.17917	1.4
192.09271	1.5
193.10135	1.9
194.10771	1.8
195.11682	2.5
195.13588	0.9
197.13222	1.4
205.15826	3.2
205.19481	13.8
207.11665	1.3
209.13306	1.5
215.17905	47.4
216.18254	2.1
217.19626	1.0
223.14699	1.8
225.12984	1.0
227.14291	1.2
233.09628	1.1
233.18956	60.7
234.19298	2.8
235.14850	1.4
235.20525	1.7
251.20009	6.2
269.15414	1.8
279.69144	1.0
294.12433	2.1
301.31848	1.2
307.19867	2.5
307.22632	6.0
325.21155	4.1
325.23645	10.8
326.24591	2.3
338.34995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01855	1.8
55.05504	15.4
57.03431	8.6
57.07074	8.6
57.91038	0.7
65.03934	2.5
65.13880	0.8
67.05497	99.0
68.05825	1.1
69.07059	11.0
69.24520	3.5
71.04987	5.4
71.08611	0.9
72.26954	0.7
75.04475	1.8
77.03915	1.9
79.05482	60.7
81.07048	100.0
82.07365	1.3
83.04975	1.8
83.08606	7.4
85.06530	7.6
91.05469	26.1
93.07035	76.5
94.07377	1.7
95.04956	7.1
95.08595	64.7
96.08948	1.5
97.06528	5.1
97.10167	3.4
98.23560	1.3
99.08090	7.7
99.76248	0.9
105.04514	2.5
105.07021	21.0
107.08582	45.4
109.06500	2.2
109.10141	41.8
111.08090	2.9
113.09637	4.9
117.07005	12.2
119.08564	17.9
121.10133	54.4
122.10474	0.9
123.08064	2.9
123.11694	26.8
125.09620	3.8
129.05495	0.8
130.07813	0.9
131.08551	23.0
133.10117	20.5
135.08066	1.8
135.11674	60.2
136.12056	1.6
137.09625	3.3
137.13219	7.4
139.11197	3.1
143.08565	1.5
145.10109	18.8
147.11667	14.5
147.12718	1.2
149.09639	4.3
149.13234	26.1
151.11185	1.8
159.11676	22.3
160.12166	0.8
161.13232	5.2
163.11197	1.9
163.14804	2.1
171.11646	0.8
172.12505	0.8
173.13255	15.1
175.14868	1.7
177.12759	2.7
187.14827	4.6
189.16373	3.2
191.14342	1.3
191.17960	2.1
205.15903	3.6
205.19482	14.9
205.21259	0.8
211.14029	0.9
215.17932	52.1
216.18343	1.0
233.18973	70.9
234.19360	3.5
234.89941	0.8
235.20644	0.8
240.26588	0.8
251.20021	8.3
263.98633	0.7
307.22644	10.2
325.23697	18.1
325.29181	2.0
326.24036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20357	1.7
55.01888	2.0
55.05507	17.7
55.67275	1.7
57.03424	7.9
57.07063	10.3
58.33036	2.2
67.05495	95.7
69.07060	15.1
69.97224	5.0
69.97568	2.2
71.04995	5.6
71.08608	3.7
75.04502	2.0
77.79895	1.8
79.05482	76.3
81.07044	100.0
82.07393	2.4
83.04990	2.9
83.08601	10.6
85.06536	7.5
91.05467	33.7
93.06440	4.7
93.07032	93.4
95.04957	8.8
95.08592	61.9
97.06505	5.3
97.10152	2.2
99.08086	10.7
105.04513	2.2
105.07008	27.8
107.08575	53.9
109.06516	5.8
109.10142	37.1
111.08055	2.9
113.09604	5.5
116.98608	2.0
117.07006	13.0
119.08558	20.1
121.10130	64.0
123.08072	2.5
123.11704	26.9
125.09612	5.3
131.07652	3.2
131.08557	31.0
133.10115	21.3
135.08080	4.0
135.11678	71.3
136.12061	2.7
137.09685	3.6
137.13213	5.7
139.11180	2.4
143.08569	2.1
145.10101	21.5
147.11652	16.5
149.09578	2.5
149.13239	29.3
151.11157	4.9
155.10663	4.0
159.11673	25.4
161.13220	5.7
163.11137	2.2
163.14803	2.7
165.12823	2.1
171.11725	2.1
173.13240	17.4
175.14592	2.0
177.12720	4.3
187.14853	5.6
189.16301	2.4
191.17912	2.3
193.04924	5.8
205.15921	3.5
205.19487	17.5
215.17915	55.1
233.18961	79.8
234.19336	3.8
251.20134	3.8
307.22729	4.5
325.23309	18.5
325.29190	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	325.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35708	1.6
55.05504	11.1
57.03428	6.1
57.07075	6.0
58.06590	2.7
59.35469	1.6
60.97548	1.4
67.05499	59.0
69.03427	5.6
69.07069	8.3
70.15241	1.5
71.05006	3.5
79.05481	47.3
81.03398	2.1
81.07048	56.0
82.07399	1.9
83.04979	2.0
83.08618	7.3
83.30321	1.7
85.06529	4.7
89.03925	5.8
91.05471	23.8
93.07032	65.4
95.04985	7.7
95.08591	41.1
97.02903	2.0
97.06537	2.7
97.10168	2.3
99.08102	5.8
105.07008	17.6
107.04933	4.2
107.08585	34.9
109.06499	4.7
109.10138	27.3
111.08048	1.8
113.09634	3.9
117.03379	7.5
117.07016	7.4
119.08547	14.6
121.10127	41.0
123.08018	1.6
123.11694	19.3
125.09630	3.9
131.08559	18.1
133.06479	1.7
133.10130	14.0
135.04419	15.8
135.11681	41.3
135.12643	3.4
137.09628	3.0
137.13223	4.2
144.14922	1.7
145.02841	10.9
145.10109	15.9
147.11676	9.3
149.09618	2.7
149.13235	20.3
151.11115	2.3
153.12714	1.8
159.11647	14.3
161.13272	4.5
163.03885	100.0
163.11180	2.3
164.04250	4.2
168.01930	1.4
173.13240	14.1
182.21790	1.7
187.14848	4.2
189.16431	3.1
205.19516	11.0
215.17897	36.7
233.15456	2.8
233.18974	55.7
234.19406	2.1
243.14905	1.5
251.20036	2.7
294.12469	4.1
307.08203	1.9
307.22864	2.5
325.23715	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	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	41.0
55.05509	78.4
56.18118	8.2
57.07062	43.0
59.04726	8.7
67.05489	100.0
69.07061	43.3
71.08613	17.8
79.05471	52.5
81.07042	80.8
83.04974	15.9
83.08596	42.3
85.06534	11.1
85.19344	10.1
91.05456	33.1
93.07051	54.6
95.04964	20.2
95.08609	66.3
97.02798	11.0
97.06528	10.6
97.10161	22.4
99.08068	10.4
105.07005	36.5
107.04946	22.4
107.08568	37.2
109.06464	10.8
109.10147	33.1
119.08552	29.6
121.06551	10.9
121.10139	23.9
123.08053	26.7
123.11716	9.9
125.09613	54.4
131.08572	21.1
133.10104	36.9
135.07892	7.4
135.11664	22.7
137.09590	20.2
139.11081	8.8
145.10130	19.2
147.11626	15.2
150.15344	7.4
151.11194	32.5
159.11646	11.2
161.13161	8.9
163.11189	11.2
177.12741	17.7
179.10606	11.0
191.14249	10.7
200.91959	9.3
238.48839	8.8
247.20505	15.2
257.18893	15.0
275.20007	64.8
276.82117	9.2
293.21072	86.9
325.23911	12.0
325.27261	29.1
326.30463	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	326.1019
Annotation	Enterocarpam I
Peak:m/z	Relative Intensity
50.35881	0.3
54.80465	0.3
65.03922	0.6
70.94662	0.4
72.97628	0.3
75.04446	0.6
79.05448	0.3
79.24068	0.3
84.06844	0.3
98.98455	6.7
103.01224	0.3
107.04952	0.3
120.04440	0.5
121.02776	0.3
135.03140	1.7
137.06015	0.3
139.20886	0.3
146.05951	0.4
148.03902	1.5
149.04759	0.4
150.05469	0.4
162.01820	0.3
174.99171	1.0
178.04945	0.6
178.06421	0.4
181.06488	0.5
192.06528	2.5
194.06049	0.6
195.06708	1.0
204.08098	0.4
206.05981	7.9
207.06746	3.7
208.07539	0.8
210.09117	0.4
220.07570	1.1
221.08350	0.6
222.05310	0.3
222.09088	2.6
223.06248	5.8
223.09578	0.3
224.06967	0.6
232.07500	0.4
233.08263	0.3
234.05429	1.3
235.06236	36.3
236.07004	45.1
237.07343	2.0
238.08556	1.8
248.06976	0.5
249.07768	0.6
250.04823	0.5
250.08595	15.1
251.05736	43.7
252.06490	22.3
253.06921	1.1
262.04953	2.7
263.05640	0.4
266.08069	18.1
267.08545	0.7
279.05209	13.3
279.20505	0.3
280.05994	11.4
294.07544	100.0
295.07959	5.8
326.10162	44.2
327.10568	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	326.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	39.4
61.02907	2.3
69.03423	3.0
70.06562	1.7
70.61508	1.6
81.03394	1.6
85.02884	7.7
87.04453	11.3
90.73534	1.2
97.02867	3.0
98.98450	93.9
101.05984	10.9
110.07092	1.2
115.03907	37.6
116.99531	2.6
123.04462	1.3
127.03912	2.2
129.05457	100.0
129.81454	1.1
130.05812	1.9
133.04863	1.3
145.05016	2.1
147.06496	40.9
150.05548	1.5
174.99202	9.3
178.04955	5.1
180.08667	3.1
251.00058	2.1
252.05052	3.8
326.08731	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	326.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.6
56.20759	0.7
57.03410	1.0
58.62990	0.8
59.04990	1.8
60.59689	0.7
61.02922	1.0
61.57970	0.7
62.20145	0.8
64.02676	0.8
69.03427	7.4
69.62197	2.3
69.62573	1.6
71.84003	0.8
73.02918	0.8
81.03371	1.1
85.02892	6.0
87.04472	6.6
87.79681	0.8
89.46315	0.8
97.02876	9.8
98.23406	1.1
98.98453	32.1
98.99095	1.5
105.15294	0.8
105.78731	0.9
115.03917	100.0
116.04261	1.0
127.03909	1.0
129.05470	2.4
136.49052	0.8
145.04958	1.3
147.06502	29.2
174.99170	2.6
194.10303	1.5
194.64352	0.8
196.46327	0.7
326.11893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58499	0.9
55.01859	4.0
56.96553	0.9
57.03423	1.3
59.04980	1.2
61.02904	1.7
69.03416	7.8
70.56721	1.8
73.92587	0.8
81.03409	1.1
85.02889	7.8
87.04460	5.5
97.02878	9.4
98.98450	65.8
115.03913	100.0
116.04274	1.6
116.99486	1.9
127.03891	1.4
129.05518	1.7
145.04887	1.8
147.04495	1.7
147.06493	23.6
148.06918	0.7
164.07076	2.2
174.99185	8.4
184.26651	0.7
188.79305	0.9
192.94202	0.8
194.10396	4.1
195.38123	0.8
326.11862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01863	2.0
55.05496	3.9
57.03428	3.4
58.06594	1.6
61.02917	6.9
67.05511	1.2
68.70900	0.9
69.03422	12.6
69.16348	2.0
69.16748	4.6
71.04987	2.9
73.02902	2.4
78.66128	1.1
79.05460	1.1
81.03412	5.8
81.07031	1.3
83.08613	12.2
85.02897	56.6
86.03236	1.1
86.09740	1.0
87.04489	1.4
91.03941	2.9
91.05480	2.0
93.07021	1.3
97.02888	14.0
98.98458	100.0
99.04441	3.0
100.03970	2.0
101.09649	9.3
107.04908	1.2
109.02840	4.5
109.10147	2.3
116.99504	2.7
119.10646	1.2
127.03901	15.1
135.04369	0.9
136.07568	9.0
137.06013	1.4
137.09599	2.6
140.01117	1.0
145.04945	26.0
145.08611	0.9
147.10132	2.5
157.65804	1.0
163.03877	2.1
163.06007	5.7
164.04198	3.2
164.07043	12.7
165.09094	1.9
174.99184	13.9
182.08090	1.0
250.99997	1.4
252.06595	1.6
255.40977	1.1
269.22885	0.9
315.83334	0.8
327.09268	1.5
327.13062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78608	0.4
57.91459	0.5
58.50385	0.4
63.03893	0.4
70.06590	0.6
70.78979	0.6
77.01572	0.4
92.31957	0.4
98.98451	100.0
116.99490	1.9
123.04355	0.6
123.77595	0.4
137.06003	0.6
139.03934	0.5
147.04434	1.0
163.03938	0.4
165.05510	0.7
174.99208	10.9
175.03860	0.5
199.25014	0.4
229.46730	0.6
251.00076	1.4
327.14032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1222
Annotation	Methylophiopogonone B
Peak:m/z	Relative Intensity
53.03943	0.6
55.01865	1.2
67.05492	3.2
68.46462	0.4
68.99773	0.4
69.70966	1.2
77.03938	0.5
79.01816	0.5
79.05466	3.1
81.07027	2.2
83.01318	2.4
89.03915	0.4
91.05466	2.3
91.14066	0.4
93.07030	3.0
95.04955	1.3
95.08592	6.3
97.56212	0.4
98.23441	0.4
98.98453	63.6
103.05470	2.2
105.04498	0.7
105.07014	2.4
107.04952	5.2
107.08587	1.8
109.02845	0.5
109.10139	6.4
115.05435	0.5
116.99542	1.0
117.07014	1.1
119.08585	1.0
121.06477	3.3
121.10174	1.4
122.00983	0.4
122.07271	0.5
123.08050	3.4
123.11734	0.7
131.04913	6.3
131.08537	0.9
135.04390	10.4
135.07968	0.5
137.09579	6.2
145.06461	1.3
147.04388	2.3
149.02295	0.8
149.05949	3.2
149.09627	1.7
159.04393	2.5
162.03102	3.1
163.03877	12.0
164.04257	0.5
173.05930	1.0
174.99190	8.0
175.03888	4.2
177.05469	4.5
179.03398	1.4
189.05467	1.3
190.02577	5.9
191.03362	100.0
192.03700	3.5
192.09334	0.6
193.04918	0.5
195.08142	0.7
195.74409	0.4
199.03876	1.0
202.57939	0.4
202.91585	0.4
203.03369	1.6
203.08640	0.4
205.04932	51.1
206.05281	1.7
217.04941	2.4
219.06516	11.8
220.06816	0.5
229.04944	1.8
231.02873	4.3
231.06403	2.4
233.04454	5.3
233.07986	0.7
235.05846	0.5
243.06445	0.9
245.08151	0.7
247.09439	0.5
251.00023	0.9
257.08093	1.8
257.92334	0.4
269.08179	2.7
271.09589	2.7
283.09528	0.7
285.11176	5.1
291.10043	0.5
299.12769	11.6
300.13147	0.7
309.11151	6.5
310.11691	0.6
310.74719	0.5
327.08771	0.5
327.12177	14.1
327.15869	4.5
328.12503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64803	0.2
55.01864	0.2
55.05480	0.2
65.79129	0.2
67.01879	0.3
67.05503	2.2
68.99789	0.5
69.01785	0.2
69.03432	0.3
69.84016	0.7
77.01593	0.3
77.03945	0.2
79.05476	0.6
81.07039	2.4
83.01314	1.1
84.38557	0.2
91.05473	1.7
93.07032	2.7
93.41325	0.2
95.04964	0.9
95.08588	3.0
98.98451	68.5
99.10096	0.3
103.05454	0.9
105.04523	0.2
105.07008	1.0
106.04173	0.5
107.04916	0.3
107.08591	0.7
107.44524	0.3
109.06518	0.5
109.10139	7.8
116.99493	2.0
119.04917	0.6
121.02796	0.3
121.05612	0.4
121.06483	6.3
121.10128	3.9
123.08041	0.3
123.11691	2.2
131.04918	3.2
133.02805	0.2
133.06467	0.6
134.03621	1.4
135.04343	0.2
135.11653	0.7
140.01050	0.4
145.06450	0.3
147.04414	0.6
149.02298	0.5
149.05960	3.1
159.04387	1.1
161.05980	0.2
162.03099	12.0
163.03572	0.6
163.07549	0.3
174.99190	8.0
175.03903	0.5
177.05418	2.7
189.05444	0.3
190.02579	20.6
190.95274	0.3
191.03146	1.2
191.06921	0.3
193.04926	0.8
199.03871	0.4
203.03392	0.3
204.04149	0.3
205.04929	100.0
206.05255	3.6
207.06566	2.0
213.05458	0.4
219.06487	7.3
220.06924	0.4
229.04918	0.5
231.06487	0.9
233.08051	3.5
236.06651	1.3
237.07321	1.7
239.06996	0.3
245.04309	0.3
245.08177	0.3
246.07695	0.6
247.09625	1.5
250.99992	0.8
251.05762	0.3
251.08815	0.5
252.06049	1.3
253.06714	0.5
257.07950	0.5
259.09564	0.4
267.08261	0.3
271.09659	3.0
272.09891	0.2
280.05481	0.4
285.11124	1.6
294.07602	0.3
295.07941	3.0
296.08234	0.3
327.11942	1.0
327.15845	14.2
328.16049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70730	0.2
53.03932	0.3
55.01847	0.4
60.96075	0.2
64.58952	0.2
65.03923	0.4
67.05489	2.5
67.75671	0.2
68.99470	0.3
68.99780	2.5
69.03435	1.1
70.56735	0.2
77.03909	0.3
78.04683	0.2
79.05474	1.1
81.06635	0.2
81.07049	2.8
82.31520	0.2
83.01341	1.5
83.01746	0.3
91.05470	3.0
93.07030	6.6
94.07329	0.2
95.01309	0.5
95.04967	1.2
95.08583	3.4
98.98454	15.4
103.05447	1.7
105.04462	0.5
105.07025	2.3
106.04145	0.3
107.04921	0.6
107.08536	0.7
109.02890	0.2
109.06512	1.5
109.10136	9.6
115.05447	0.2
119.04901	0.5
121.02839	0.3
121.06486	11.9
121.10124	3.7
123.11697	2.3
131.04910	5.9
133.06490	1.4
134.03616	1.5
135.04385	0.4
135.11601	0.5
147.04337	1.0
149.02322	0.4
149.05954	8.0
159.04356	1.3
161.02309	0.2
161.05978	0.2
162.03096	12.3
163.03519	0.4
163.07452	0.3
173.05994	0.4
174.99176	2.0
175.03952	0.3
177.05437	11.2
178.05817	0.4
187.05054	1.5
190.02577	18.7
191.03178	1.1
192.03996	0.2
193.04912	0.5
199.03865	0.4
203.03282	0.4
205.04929	100.0
206.05255	3.5
207.06557	1.7
213.05363	0.3
219.06494	7.7
220.06927	0.3
227.06976	0.2
231.06432	0.7
233.08063	3.0
234.08519	0.2
243.06519	0.3
245.07977	0.3
246.07620	0.3
247.09668	1.5
249.85593	0.2
257.08060	0.5
259.09735	0.4
271.09644	3.0
272.10083	0.3
285.11115	1.6
309.11252	0.3
327.15851	13.4
328.16165	0.8
337.73569	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	327.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01844	0.3
55.05491	0.2
63.01747	0.2
65.03907	0.2
65.93766	0.2
67.05220	0.2
67.05497	2.1
68.99771	1.0
69.07047	0.3
70.49208	0.2
77.03918	0.5
77.68483	0.2
78.04720	0.5
79.05462	0.7
81.07047	2.5
83.01333	2.0
88.13606	0.2
91.05462	2.3
93.07040	2.3
95.04945	0.6
95.08586	2.8
98.98455	0.2
103.05479	1.3
105.04464	0.2
105.07030	1.0
106.04181	0.6
107.04927	0.3
107.08578	0.5
109.06505	0.5
109.09406	0.4
109.10143	7.7
110.10493	0.3
119.04916	0.4
121.02834	0.5
121.06493	7.5
121.10119	2.5
123.10950	0.3
123.11685	1.9
131.04919	3.0
133.06436	0.3
134.03613	2.3
135.11681	0.6
147.04375	0.9
149.02318	0.2
149.05957	3.6
154.67209	0.2
159.04431	1.1
159.05530	0.3
162.03099	18.2
163.03485	0.5
163.07501	0.2
173.05916	0.3
177.05450	3.3
190.02583	23.9
191.02901	0.9
191.06931	0.3
193.04935	0.5
199.03842	0.4
205.04933	100.0
206.05278	2.8
207.06497	1.7
219.06487	6.1
230.60204	0.2
231.06474	0.6
233.08055	2.7
242.09486	0.2
243.06599	0.2
245.08112	0.4
246.07449	0.4
247.09586	1.1
257.07892	0.4
259.09705	0.3
271.09595	2.5
285.11163	1.3
327.15860	8.7
328.16168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28826	0.3
67.05492	3.0
68.99772	0.4
79.05473	0.7
81.07047	2.0
83.01329	1.5
91.05477	1.6
93.07038	2.4
95.04952	0.6
95.08600	3.5
98.98436	0.9
103.05439	1.0
105.07004	1.0
107.08578	0.7
109.10141	8.2
121.06487	6.5
121.10132	3.1
123.11683	2.0
131.04906	2.4
134.03618	1.4
135.11668	1.0
147.04337	0.9
149.02272	0.4
149.05980	3.0
159.04387	0.7
162.03102	13.4
163.03590	0.4
167.67645	0.4
171.79268	0.3
177.05460	2.5
190.02585	21.9
193.05016	0.4
199.03912	0.5
205.04935	100.0
206.05318	2.6
207.06570	1.8
219.06485	7.2
231.06516	0.6
233.08083	3.6
247.09496	2.0
257.08145	0.4
271.09613	2.4
273.92242	0.3
285.11194	1.1
305.64609	0.4
327.15875	11.9
328.16174	0.8
333.78345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.5
67.05493	2.7
69.72478	2.0
79.05467	1.4
81.07044	4.8
83.01324	1.1
83.75062	0.5
91.05458	2.2
93.07024	2.1
95.04916	0.8
95.08597	2.6
98.98454	1.9
103.05477	0.8
105.06972	0.7
109.10137	9.7
112.83436	0.6
121.06488	6.8
121.10087	2.7
123.11674	2.1
128.06232	0.5
131.04927	3.9
134.03603	1.3
147.04358	0.9
149.05956	3.8
159.04372	1.8
162.03096	13.3
163.07503	0.7
177.05428	3.0
189.05429	0.5
190.02583	21.6
193.04915	1.4
199.03812	1.0
205.04932	100.0
206.05299	2.9
207.06491	1.5
212.04813	0.5
219.06471	10.7
233.08072	4.3
245.08018	0.8
247.09619	4.5
257.08057	0.9
259.09573	0.9
267.18048	0.5
271.09619	9.9
285.11108	2.8
298.85510	0.6
313.68912	0.5
327.15866	13.1
328.16211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.6
68.99788	0.7
70.68935	0.5
71.16340	0.3
78.50552	0.3
79.05447	0.8
80.12817	0.2
81.07037	1.9
82.39232	0.2
83.01322	1.5
91.05476	1.8
93.07037	2.4
95.04986	0.3
95.08604	2.9
98.98450	4.8
103.05455	0.7
104.62573	0.3
105.07012	0.8
106.04150	0.3
107.08565	0.7
109.06456	0.4
109.09408	0.5
109.10145	7.3
111.58100	0.3
119.04908	0.5
121.02808	0.3
121.06496	6.1
121.10133	3.7
123.11695	2.3
131.04903	2.7
133.06529	0.4
134.03633	1.3
135.11633	0.7
143.41512	0.3
147.04343	0.9
149.02367	0.5
149.05977	2.7
159.04399	0.8
162.03104	11.9
174.99197	0.5
177.05447	2.8
190.02585	20.0
191.02908	0.6
191.06979	0.4
193.04884	0.5
199.03943	0.4
205.04939	100.0
206.05321	2.7
207.06534	2.1
213.05322	0.3
219.06488	6.6
231.06407	0.5
233.08047	3.1
246.07703	0.3
247.09605	1.9
257.07925	0.3
271.09610	2.8
285.11148	1.1
327.15875	13.2
328.15735	0.6
328.19098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	0.7
62.98486	0.6
67.05496	5.7
68.99773	0.7
69.07047	2.4
77.03928	0.7
79.05465	2.6
81.07047	17.2
83.01337	0.8
91.05456	1.7
93.07024	2.8
95.04952	1.1
95.08579	2.7
98.98455	18.2
105.06989	1.0
107.04919	0.9
107.08552	0.7
109.10155	11.5
112.50085	0.6
115.05429	1.1
121.06498	5.3
121.10108	1.4
123.11630	1.8
131.04913	6.7
134.03583	0.8
149.02238	0.6
149.05963	2.8
159.04401	4.4
162.03098	10.0
163.07555	1.2
171.04407	1.1
173.05966	0.6
174.99135	1.2
177.05440	2.3
183.08058	0.9
185.05956	0.7
190.02580	22.2
191.02861	0.8
191.06914	1.2
193.04950	1.2
199.03818	1.3
203.03372	0.8
204.04230	0.9
205.04939	100.0
206.05252	3.2
207.06467	1.2
211.07571	1.5
213.05450	0.8
219.06497	18.8
220.06868	0.7
227.07051	1.0
228.07722	1.1
229.04965	1.7
231.06509	1.1
233.08122	5.2
239.07050	0.9
243.06474	1.2
245.08139	1.5
247.09637	14.9
256.07266	1.5
257.08029	2.3
259.09573	2.6
271.09607	29.9
272.10074	1.1
274.93637	0.7
285.11151	6.2
291.10062	0.8
327.15881	25.0
328.16098	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Trigonostemone
Peak:m/z	Relative Intensity
55.05486	0.7
57.07040	1.0
67.05511	2.3
69.07051	0.6
70.71266	0.5
79.05461	0.7
81.07042	2.5
83.01304	1.6
85.10115	0.4
91.05460	1.7
93.07041	2.5
95.04945	0.5
95.08598	4.0
98.98460	14.6
103.05434	1.1
105.04462	0.4
105.06993	0.9
106.04118	0.5
107.08561	0.6
109.10154	6.7
113.09578	0.5
119.04936	0.5
121.06505	5.4
121.10133	3.8
123.11702	2.6
131.04916	2.3
134.03616	1.2
135.11664	0.7
145.06448	0.4
147.04381	1.0
149.05951	3.1
159.04375	0.8
162.03108	12.4
163.03510	0.6
174.99164	1.7
177.05461	2.8
178.56776	0.4
190.02596	18.2
191.02985	0.6
193.05031	0.4
199.03984	0.4
205.04948	100.0
206.05295	3.6
207.06506	1.9
219.06509	6.1
231.06569	0.5
233.08051	2.9
245.08241	0.5
247.09657	2.1
257.08191	0.5
259.09793	0.5
271.09616	3.8
280.88388	0.3
285.11224	1.6
285.18237	0.4
327.15912	12.4
327.25327	0.7
328.16260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95019	0.3
55.05504	0.7
57.07046	0.5
67.05512	3.0
68.99764	0.5
69.07061	1.6
69.21145	0.5
69.21539	2.0
72.08128	0.5
79.05486	0.8
81.07055	3.7
83.01334	1.6
83.08650	0.4
86.19199	0.3
91.05479	2.3
93.07040	2.8
95.04967	0.4
95.08105	0.4
95.08607	3.7
98.23465	0.5
98.98457	26.5
103.05435	1.0
105.06993	0.8
106.04156	0.6
107.08549	0.6
109.09425	0.5
109.10143	9.0
116.99463	0.9
119.04874	0.4
121.06496	6.5
121.10120	2.1
123.11696	2.8
131.04926	2.9
132.02524	0.3
134.03625	1.9
135.11644	1.0
136.40334	0.3
143.04942	0.4
147.04372	0.9
149.05969	2.5
159.04408	0.8
162.03105	12.1
163.07425	0.5
164.20920	0.3
174.99216	3.0
177.05443	2.7
189.05518	0.5
190.02586	20.7
191.02948	0.5
191.07010	0.5
193.04965	0.6
199.03915	0.8
203.03442	0.6
205.04942	100.0
206.05287	3.3
207.06512	1.1
213.05412	0.5
213.43915	0.3
217.04945	1.0
219.06494	8.0
229.04971	0.6
231.06512	0.7
233.08061	3.0
243.10185	0.5
245.08046	0.9
246.07623	0.4
247.09663	1.9
250.99806	0.5
257.08002	0.5
259.09604	2.6
265.51068	0.4
271.09647	5.4
272.10141	0.6
285.11206	1.3
327.07974	1.2
327.15875	14.4
327.25333	0.4
328.16064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05489	0.4
65.03905	0.3
67.05499	3.4
68.99790	0.4
69.03404	0.5
69.27892	0.8
69.28297	0.5
77.03908	0.3
78.04684	0.3
79.05466	1.1
81.07043	3.1
83.01311	1.4
87.93240	0.3
91.05474	2.1
93.07030	2.2
93.36880	0.2
95.04919	0.8
95.08018	0.4
95.08588	4.2
98.22717	0.6
98.98453	19.2
103.03349	0.2
103.05437	0.8
105.04520	0.3
105.07023	1.1
106.04150	0.6
107.04919	0.3
107.08555	1.0
109.06502	0.7
109.10139	8.6
116.99506	0.4
119.04899	0.4
121.02849	0.5
121.06495	6.5
121.10125	2.2
123.11691	2.4
126.41395	0.3
131.04912	3.2
134.03627	1.7
135.04390	0.3
135.11650	0.8
137.05991	0.7
143.04895	0.3
145.06424	0.3
147.04430	0.7
149.02283	0.5
149.05966	3.6
151.03896	0.5
159.04431	1.2
160.42480	0.3
161.02289	0.3
162.03096	13.4
163.03584	0.4
163.07591	0.4
173.06001	0.3
174.99150	1.8
175.07512	0.3
177.05432	2.7
189.05363	0.4
190.02583	19.9
191.02904	1.5
191.06967	0.3
193.04941	0.6
196.24580	0.3
199.03833	1.0
204.04184	0.4
205.04936	100.0
206.05281	4.5
207.06448	1.4
213.05458	0.5
217.04912	0.9
219.06474	9.2
220.06755	0.4
229.04865	0.3
231.06454	1.1
233.08076	3.2
243.06268	0.3
245.08044	0.6
247.09639	1.8
249.09129	0.3
257.08041	0.7
258.44653	0.3
259.09583	0.4
271.09631	3.4
285.11011	1.5
295.09653	0.4
299.12137	0.4
327.12244	1.4
327.15826	16.9
328.12436	0.4
328.16107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76215	0.3
51.67904	0.2
53.86684	0.3
54.86551	0.3
55.01873	0.4
65.03926	0.3
67.01850	0.3
67.05492	1.9
68.99776	0.7
69.03432	0.3
69.07063	0.4
72.90409	0.3
77.01576	0.3
77.03893	0.4
79.05481	1.3
81.07035	2.2
83.01331	1.5
84.08147	0.3
88.05533	0.3
91.05460	2.2
93.07024	2.6
95.04951	0.7
95.08583	3.2
98.22823	1.1
98.23490	0.6
98.35117	0.3
98.98450	66.3
103.05455	0.7
105.04494	0.3
105.06989	1.4
106.04144	0.4
107.04949	0.5
107.08566	0.7
109.06467	0.6
109.10135	8.1
115.05463	0.4
116.99500	0.9
119.04909	0.6
119.08598	0.3
119.43669	0.3
121.02874	0.4
121.06483	6.3
121.10099	3.9
123.08128	0.3
123.11697	2.3
131.04922	2.5
133.02820	0.3
133.06468	0.3
134.03587	1.3
135.08142	0.3
135.11662	0.8
137.05928	1.6
138.18140	0.3
145.12621	0.3
147.04445	0.4
149.02333	0.7
149.05962	2.9
151.03877	0.8
159.04385	1.1
161.05888	0.5
162.03094	12.8
163.03606	0.7
163.07515	0.7
173.05910	0.4
174.97771	0.5
174.99194	6.6
175.07539	0.3
177.05426	2.9
178.07823	0.5
189.05411	0.3
190.02579	20.2
191.03352	1.7
191.06976	0.4
193.04909	0.7
205.04929	100.0
206.05276	3.7
207.06656	1.7
219.04474	0.6
219.06465	6.3
220.06830	0.4
229.04990	0.5
231.06314	0.5
233.08022	3.4
247.09598	1.4
249.09010	0.6
250.99985	0.9
257.07986	0.3
259.09692	0.4
267.09927	0.4
268.07181	0.5
271.09592	2.4
285.11096	1.8
299.12686	0.5
309.11108	0.4
327.08749	0.5
327.12109	2.2
327.15747	12.5
328.15985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76215	0.3
51.67904	0.2
53.86684	0.3
54.86551	0.3
55.01873	0.4
65.03926	0.3
67.01850	0.3
67.05492	1.9
68.99776	0.7
69.03432	0.3
69.07063	0.4
72.90409	0.3
77.01576	0.3
77.03893	0.4
79.05481	1.3
81.07035	2.2
83.01331	1.5
84.08147	0.3
88.05533	0.3
91.05460	2.2
93.07024	2.6
95.04951	0.7
95.08583	3.2
98.22823	1.1
98.23490	0.6
98.35117	0.3
98.98450	66.3
103.05455	0.7
105.04494	0.3
105.06989	1.4
106.04144	0.4
107.04949	0.5
107.08566	0.7
109.06467	0.6
109.10135	8.1
115.05463	0.4
116.99500	0.9
119.04909	0.6
119.08598	0.3
119.43669	0.3
121.02874	0.4
121.06483	6.3
121.10099	3.9
123.08128	0.3
123.11697	2.3
131.04922	2.5
133.02820	0.3
133.06468	0.3
134.03587	1.3
135.08142	0.3
135.11662	0.8
137.05928	1.6
138.18140	0.3
145.12621	0.3
147.04445	0.4
149.02333	0.7
149.05962	2.9
151.03877	0.8
159.04385	1.1
161.05888	0.5
162.03094	12.8
163.03606	0.7
163.07515	0.7
173.05910	0.4
174.97771	0.5
174.99194	6.6
175.07539	0.3
177.05426	2.9
178.07823	0.5
189.05411	0.3
190.02579	20.2
191.03352	1.7
191.06976	0.4
193.04909	0.7
205.04929	100.0
206.05276	3.7
207.06656	1.7
219.04474	0.6
219.06465	6.3
220.06830	0.4
229.04990	0.5
231.06314	0.5
233.08022	3.4
247.09598	1.4
249.09010	0.6
250.99985	0.9
257.07986	0.3
259.09692	0.4
267.09927	0.4
268.07181	0.5
271.09592	2.4
285.11096	1.8
299.12686	0.5
309.11108	0.4
327.08749	0.5
327.12109	2.2
327.15747	12.5
328.15985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
64.51813	0.2
67.05500	1.9
68.99794	0.5
69.88710	0.9
79.05481	0.8
79.48524	0.3
81.07050	2.2
83.01356	1.3
91.05478	1.9
92.13975	0.2
93.07047	2.7
95.04958	0.6
95.08596	4.5
98.22754	0.4
98.98457	23.5
103.05455	1.4
105.07027	0.9
106.04118	0.4
107.04949	0.3
107.08578	0.4
109.06552	0.3
109.10148	8.5
116.99456	0.4
118.83464	0.2
119.04932	0.7
121.02859	0.3
121.06499	6.0
121.10133	3.4
123.11690	2.7
125.20013	0.3
131.04929	2.3
134.03618	1.5
135.11711	0.5
137.05972	0.6
147.04347	1.3
149.02376	0.4
149.05951	3.0
151.03902	0.4
159.04420	0.8
161.02315	0.3
162.03098	11.5
163.03551	0.5
163.07483	0.4
174.99190	2.8
177.05447	2.5
190.02588	21.3
191.03169	0.8
193.04941	0.5
199.03853	0.5
205.04942	100.0
206.05293	3.3
207.06584	1.7
219.06496	7.3
220.06754	0.3
225.05565	0.3
231.06476	0.9
233.08076	3.7
245.08052	0.4
247.09691	1.5
251.00056	0.5
257.07938	0.4
271.09567	2.3
285.11127	1.2
327.11960	12.2
327.15851	13.7
328.12219	0.7
328.16180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.01865	0.9
63.42004	0.6
65.12260	0.6
67.05495	0.9
69.03420	0.7
69.85670	0.6
69.96276	0.5
70.58862	1.2
77.01601	0.8
77.03920	0.7
79.05481	2.2
81.03395	1.4
81.07037	1.5
91.05475	4.9
93.07021	0.6
94.04175	2.1
95.04967	0.9
95.08567	0.7
98.98458	62.9
103.05460	19.6
103.05996	0.4
105.04483	0.6
105.07020	9.1
107.04964	3.0
109.02903	0.7
109.06540	3.0
109.10138	1.0
110.58324	0.6
115.05453	2.0
116.99509	1.4
117.06996	2.2
119.04932	1.3
121.06492	6.6
122.03631	7.2
123.04401	0.6
123.08035	1.0
125.33109	0.7
129.06998	0.7
131.04916	25.6
132.05264	1.2
133.06476	35.5
135.08046	10.4
136.05185	0.5
137.05963	100.0
137.09598	2.1
138.06277	1.4
143.04889	1.0
143.08537	0.8
145.06477	8.0
147.08023	1.6
149.05943	2.2
151.03963	0.6
151.07532	11.6
157.06467	2.9
160.05252	0.7
161.05959	1.6
162.06833	0.7
163.07526	55.6
164.07896	1.3
165.09134	1.8
171.08046	1.4
174.06761	1.1
174.99229	8.0
175.07539	3.7
176.08188	0.6
177.09003	0.9
187.07558	1.9
188.04727	0.9
189.09111	1.7
192.09406	0.7
202.07780	1.4
203.06992	0.8
203.10629	1.7
205.04865	1.5
207.08086	1.4
207.11673	0.6
217.10057	1.4
220.08775	1.1
225.09167	0.9
225.75136	0.6
235.11160	2.1
245.09552	1.3
247.07547	0.8
249.05411	0.6
249.08873	0.7
250.99895	0.9
253.08575	0.8
263.10638	4.1
295.09943	0.6
295.13220	9.8
327.12271	5.1
327.15863	6.9
345.98770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	3.1
51.27131	1.3
51.86281	1.4
53.03932	4.7
55.01853	1.7
55.05502	7.6
56.52186	1.4
57.03421	2.2
57.07058	3.6
58.06584	5.0
65.03935	2.1
67.05486	14.9
69.07063	8.5
69.31026	8.3
71.04981	2.5
71.29849	1.5
72.08156	1.6
74.07777	1.4
75.43316	1.5
77.03544	1.5
77.03909	7.4
79.05470	9.9
81.03409	1.5
81.07043	11.6
83.04959	2.0
83.08590	2.3
85.06536	2.7
91.05461	20.5
91.56368	1.4
93.07026	32.6
95.04948	62.0
95.08588	27.4
96.08924	2.1
97.06508	8.7
98.98444	100.0
103.05426	1.5
105.04492	8.7
105.06340	2.2
105.07006	31.2
107.08572	18.8
108.23489	1.4
109.06477	6.8
109.10143	10.9
115.05460	3.9
116.99522	2.4
117.06989	9.0
119.08557	26.2
121.06473	6.7
121.10111	13.8
123.08033	6.4
123.11680	3.7
128.06186	3.5
129.06940	5.6
130.07796	2.5
131.08533	14.2
133.06375	1.5
133.10098	19.7
135.08020	4.9
135.11655	6.2
137.09598	1.8
141.06993	2.0
142.07735	6.1
143.08533	9.3
144.09280	3.4
145.10088	17.1
147.11635	5.4
149.09567	2.4
152.06177	29.8
153.06953	20.4
154.07408	1.4
155.08578	4.3
156.09322	4.0
157.10088	14.9
158.10834	2.3
159.11659	21.9
161.09581	5.9
161.13205	2.0
168.05669	8.5
169.06461	2.6
169.10056	7.3
170.10806	2.8
171.11578	8.7
172.12372	1.7
173.13248	8.3
174.99188	11.7
175.01485	3.6
175.14799	10.2
179.08580	2.4
181.10039	4.0
182.10941	2.6
183.11659	4.8
185.13274	5.0
187.11128	4.4
187.14764	8.6
193.10132	1.9
195.11612	2.0
196.12447	2.0
197.13202	4.8
199.14757	7.3
201.12587	2.1
201.16350	2.5
209.13275	4.5
211.14822	4.0
215.02531	2.8
215.14345	2.1
217.15848	3.2
223.14790	3.6
225.16310	2.1
227.08536	1.8
227.14264	2.0
228.09291	5.7
229.09903	1.6
230.24638	1.5
233.03583	28.6
235.14688	2.9
251.00241	1.9
251.04691	16.2
265.08514	2.7
309.22113	4.4
327.07730	96.9
327.22968	9.9
328.08167	7.8
328.15332	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01854	0.8
55.05510	4.1
57.07068	1.9
58.06587	2.8
61.94700	0.6
62.01726	0.5
67.05495	6.0
67.33926	0.6
69.03424	0.6
69.07063	3.2
69.41426	0.6
69.47374	1.6
69.47794	1.7
71.04971	1.0
79.05480	3.1
81.07035	4.2
83.08617	1.2
83.21749	0.6
90.35613	0.7
91.05468	6.5
92.63151	0.6
93.07033	10.8
95.04960	9.7
95.08600	8.1
97.06525	0.9
98.98456	100.0
103.05362	0.7
105.04540	1.1
105.07027	9.6
107.08560	4.8
109.06498	2.7
109.10146	3.1
115.05453	0.8
116.99503	2.2
117.07012	2.1
119.08569	8.3
121.06488	2.0
121.10147	4.8
123.08059	1.0
128.06244	1.2
129.06987	2.3
130.07800	1.3
131.08546	4.5
133.10098	5.7
135.08028	1.4
135.11702	0.9
140.01085	0.9
141.07039	0.9
142.07794	2.3
143.08542	3.1
144.09340	1.1
145.10121	4.5
147.11656	1.4
152.06271	1.1
153.06941	1.0
155.08533	1.7
156.09372	1.2
157.10121	3.1
159.07951	1.0
159.11696	5.2
161.09554	1.5
167.08531	0.7
169.10106	1.8
171.11679	2.9
173.13255	1.7
174.99191	10.2
175.14864	2.5
179.08556	0.9
182.85954	0.6
183.11731	1.4
187.14859	1.5
189.16310	0.7
195.11517	1.1
197.13203	1.1
199.14751	1.2
201.12767	0.7
209.13281	0.9
211.14790	1.1
221.13223	0.8
223.14859	1.2
225.16364	0.8
229.16125	0.7
233.03621	0.8
250.99988	1.5
265.08572	1.4
309.22046	1.0
311.10242	0.7
326.34140	3.0
327.07721	2.7
327.23364	1.2
327.34384	3.5
328.15363	1.3
346.86380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.10888	0.8
55.05507	6.4
57.03439	6.6
57.07075	9.9
58.06603	2.0
60.43112	0.9
66.04716	0.8
67.05154	1.4
67.05504	21.8
69.07066	13.1
69.49732	1.5
69.50120	1.6
69.77664	0.7
70.10833	0.7
71.08616	4.6
77.01637	0.9
77.03946	0.8
78.56007	0.7
79.05492	5.1
81.07053	35.5
82.07377	1.7
83.01318	1.9
83.08614	7.1
85.10173	3.3
91.05477	3.9
93.07046	6.1
95.04952	3.5
95.08600	37.2
97.10168	3.5
98.98463	100.0
105.07014	2.5
107.08577	2.5
109.06477	1.2
109.10151	23.1
110.10484	0.8
111.11707	2.0
116.99493	3.2
119.03424	5.3
119.08566	2.6
121.06496	6.6
121.10132	5.2
123.11707	10.7
125.13275	1.4
131.04936	3.2
133.10112	2.2
134.03650	1.9
135.11676	2.1
137.09621	2.6
137.13245	2.6
140.01054	0.9
147.11691	1.1
148.46855	0.7
149.05930	2.0
149.13278	0.9
151.14801	1.3
153.06923	0.8
159.04305	1.0
161.13252	1.9
162.03105	13.3
169.15820	3.3
174.99203	9.5
177.05457	2.7
190.02586	20.2
191.03036	1.0
205.04951	96.2
206.05296	4.9
207.06488	1.9
207.21059	2.3
217.19466	5.5
219.06508	6.9
225.22142	0.9
233.03549	1.2
233.07979	2.7
235.20476	3.4
243.19540	4.4
247.09587	2.5
250.99841	1.1
271.09537	4.1
285.11020	1.6
309.24234	2.9
327.07806	4.1
327.11975	1.0
327.15912	12.3
327.25266	22.4
327.34171	1.0
328.15796	2.1
328.25833	1.5
332.63928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23563	0.7
52.59935	0.6
55.05503	6.0
55.30424	0.7
57.03220	0.5
57.03440	5.6
57.07074	31.5
65.58309	0.8
67.05500	22.7
69.07068	12.7
71.08625	25.2
79.05488	4.2
81.07053	42.2
82.07405	0.8
83.01364	1.2
83.08621	8.2
85.06537	1.1
91.05481	3.2
91.99394	0.7
93.07047	4.1
95.04955	1.1
95.08601	33.1
97.06548	1.7
97.10162	5.3
98.98463	82.3
103.05412	1.0
105.07015	2.8
107.08574	3.0
109.06503	1.2
109.10151	25.3
109.10889	1.7
110.10508	0.9
111.08044	1.2
111.11733	3.7
116.99512	2.2
119.08581	1.8
121.06504	5.6
121.10134	5.8
122.06807	0.8
123.08091	0.8
123.11708	13.4
125.13277	2.5
127.11189	2.2
131.04927	2.6
133.10106	2.5
134.03618	1.2
135.11682	2.5
137.09586	1.6
137.13243	4.2
141.12740	15.5
141.13780	0.6
147.04364	1.2
147.11613	1.8
149.05974	2.8
151.11211	2.1
151.14815	3.0
151.38718	0.7
159.04469	1.3
161.13269	2.2
162.03101	11.2
165.12723	1.3
174.99219	8.7
177.05418	2.2
190.02591	18.7
191.02979	1.3
193.04930	0.8
205.04951	100.0
206.05264	4.4
206.87386	0.7
207.06587	1.0
207.21103	4.9
217.19521	6.2
219.06517	6.0
230.24693	1.1
233.08087	2.0
235.20528	4.7
247.09723	1.3
251.00006	0.8
253.21561	3.3
257.08124	0.9
259.09491	0.9
271.09613	3.6
285.11139	1.5
327.07855	0.8
327.15961	13.1
327.25244	25.9
328.15714	1.3
328.25522	2.1
328.35684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
51.56429	0.5
53.03938	0.9
55.01852	0.9
55.05504	9.7
56.95956	0.6
57.03170	0.9
57.03431	9.9
57.07069	48.3
58.06598	0.8
58.07401	1.0
60.01089	0.5
62.46243	0.5
65.03915	0.8
67.05495	39.8
67.33378	0.5
68.05830	0.6
69.07058	21.0
69.32492	2.6
71.04968	1.0
71.08621	45.1
72.08953	0.8
77.03913	1.0
78.04750	0.4
79.05482	6.4
81.07044	68.9
82.07372	0.7
83.01318	1.2
83.08606	12.9
85.06528	1.0
85.10167	1.2
91.05465	4.1
93.07036	6.7
95.04951	5.0
95.08592	53.2
96.08928	1.0
97.06511	2.0
97.10152	7.6
98.98453	79.0
99.08096	1.1
103.05470	0.9
105.04505	1.3
105.06999	3.6
106.04212	0.6
107.08543	3.0
109.06504	1.6
109.10137	35.8
110.10459	1.0
111.08073	1.5
111.11714	5.9
113.09650	1.0
116.99488	2.0
119.08569	2.8
121.06479	5.5
121.10133	8.3
123.08114	1.2
123.11687	22.1
125.09533	0.7
125.13251	3.7
127.07560	1.0
131.04941	3.3
131.08540	0.6
133.10104	3.9
134.03629	1.0
135.11678	4.1
137.09587	2.4
137.13243	7.2
139.11101	1.1
140.01118	0.7
141.09077	1.4
141.12720	27.7
142.13098	0.6
147.04378	0.6
147.11696	2.9
149.05922	2.6
149.13269	1.1
151.11191	2.5
151.14781	3.6
152.06158	3.5
153.06958	2.8
159.04402	0.9
159.11688	0.6
161.13248	2.4
162.03091	11.8
165.12712	1.1
165.16409	0.9
168.05600	0.8
169.12303	0.6
169.15746	0.6
174.99208	9.6
175.14806	1.3
175.99622	0.5
177.05449	2.8
187.11182	0.6
190.02582	20.2
191.02989	0.9
193.19392	0.7
205.04933	100.0
206.05240	4.6
207.06494	1.7
207.21074	9.5
215.16454	1.3
217.19484	9.6
219.06494	7.3
228.09389	0.8
231.06500	0.7
233.03584	3.9
233.07994	2.9
235.20528	8.3
243.06503	0.7
245.08188	0.9
247.09654	2.0
250.88809	0.6
251.00035	1.2
251.04718	1.8
253.21562	6.5
257.08060	0.8
265.08508	0.7
267.13934	0.6
270.47296	0.5
271.09665	4.5
271.22586	1.5
285.11258	1.5
287.49719	0.5
287.98392	0.5
313.30447	0.5
327.04037	0.9
327.07758	14.4
327.15884	13.6
327.25250	47.9
328.08005	0.9
328.15863	2.4
328.25412	2.5
331.78433	0.5
334.14664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
51.08179	0.4
53.71986	0.4
55.05494	0.6
58.06592	1.0
61.27807	0.4
66.73018	0.4
67.05490	0.4
69.07049	0.8
69.93835	1.1
71.48137	0.4
75.75888	0.4
79.05468	0.6
81.07040	0.9
84.05986	0.4
87.00005	0.4
91.05478	0.7
93.07014	0.4
95.04954	0.5
95.08566	0.5
98.23408	0.5
98.98452	58.3
100.98879	0.4
105.03393	3.4
112.40117	0.4
116.99483	1.7
121.06509	0.5
132.86497	0.4
133.02832	36.1
134.03162	0.5
137.05943	2.2
148.03911	53.9
149.04710	3.4
151.06238	0.7
163.06265	43.8
164.07053	8.5
165.05449	4.9
174.99199	4.4
176.98885	2.0
181.06511	0.5
208.07597	0.7
227.39777	0.4
234.07626	0.8
235.06175	0.6
236.07027	100.0
237.07352	6.4
238.07660	0.4
250.08615	0.5
251.76161	0.4
252.06514	0.6
253.06984	1.7
254.07516	0.7
265.08591	0.9
268.09677	3.8
269.09995	3.0
283.09818	0.5
296.09146	14.0
297.09821	0.5
297.78244	0.4
312.12109	0.5
328.11502	1.1
328.15366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.154
Annotation	Thebaine N-oxide
Peak:m/z	Relative Intensity
53.03933	0.9
54.55491	0.6
55.01856	1.8
55.05503	2.9
57.07094	0.6
58.06582	2.4
65.03919	1.6
65.04270	0.5
67.05492	2.3
69.03411	0.7
69.07055	3.0
69.91334	1.9
71.04978	1.5
73.84657	0.6
78.04707	8.0
79.05481	13.8
80.05009	1.2
80.06256	2.4
81.03394	0.9
81.07034	6.0
83.04958	1.1
83.08610	0.7
85.06517	0.6
91.05473	10.5
93.07025	3.6
94.06549	2.1
95.04947	2.6
95.07336	1.1
95.08595	2.1
96.04481	1.5
96.05789	0.7
97.06512	0.8
98.23309	1.1
98.98451	100.0
103.05465	1.9
105.03370	1.3
105.04520	0.6
105.07025	4.6
106.04157	22.3
106.06528	1.7
107.04945	5.6
107.08596	3.4
108.05741	5.0
109.06515	1.3
109.10148	0.9
111.08063	1.6
115.05434	2.0
116.99498	2.4
117.06987	2.4
119.04904	1.7
119.08556	1.0
121.06492	1.5
121.10106	0.9
122.06007	15.1
123.04422	1.6
123.06796	13.1
123.11678	0.7
124.05234	0.7
128.06183	0.8
129.06979	3.9
131.04915	2.2
131.08524	3.5
133.05222	9.3
133.06281	1.1
133.10104	0.8
134.03610	38.6
134.05923	2.8
135.04442	5.0
135.08017	3.4
135.11652	0.7
137.09573	0.6
141.07005	5.1
143.04842	1.2
143.08543	1.1
145.06456	1.9
146.05965	1.3
147.04405	2.2
147.07942	0.8
150.05464	4.3
151.06261	75.3
152.06239	1.8
153.06934	1.8
155.08517	2.0
157.06464	3.5
159.08080	2.9
163.07516	3.3
165.06973	5.5
166.07721	1.6
167.08536	6.0
169.06468	3.6
169.10184	0.7
171.08035	2.0
174.99208	7.5
175.03938	0.8
175.07565	1.0
175.99619	0.9
176.98950	3.6
177.07011	1.2
177.09073	6.4
178.07739	6.8
179.08527	16.0
180.09044	0.8
181.06448	3.9
181.10086	0.8
182.07233	0.9
183.08018	2.3
184.08885	0.9
185.05948	1.3
185.09604	1.1
187.07523	1.4
191.08549	1.9
192.09358	0.8
193.10065	1.2
194.07220	2.2
195.08009	4.2
197.05890	2.9
197.09634	1.7
199.07526	2.3
202.07809	0.7
204.09296	1.0
205.06503	0.9
207.07990	6.0
208.08911	1.1
209.05943	1.1
209.09535	0.7
209.13255	1.0
213.09074	1.1
215.06891	1.2
219.08035	1.3
219.11531	1.3
220.08797	0.9
221.13229	2.0
223.07445	3.1
225.05621	0.9
225.09082	10.2
225.12662	1.0
237.09109	0.6
237.12654	4.4
239.14340	1.5
241.12195	1.0
247.11128	1.0
249.12782	3.8
250.06448	0.6
250.99915	0.7
251.07059	1.4
255.13773	0.8
264.13852	0.7
265.08508	1.0
265.12210	4.1
267.13763	9.9
268.13437	0.8
275.10739	0.8
283.09973	0.9
283.13208	4.3
293.11722	2.3
310.14374	0.9
311.12750	2.1
328.15384	64.1
328.24451	19.0
329.15735	4.1
329.24774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18592	0.6
57.03432	1.1
69.03422	0.8
69.87106	1.4
69.87416	0.8
71.04993	3.6
71.29775	0.6
85.02892	3.2
89.06023	22.7
94.28686	0.6
97.02902	0.9
98.98456	100.0
99.04433	2.4
100.98830	0.7
113.05991	0.8
116.99506	2.0
127.03822	0.6
131.07043	2.8
149.08075	11.2
166.08635	2.2
174.99196	6.2
176.98950	1.7
218.91893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39596	0.7
58.06587	1.1
58.53909	0.8
65.63102	0.8
67.05493	1.2
70.54961	0.9
88.68462	0.8
95.08571	1.0
96.36512	0.7
98.98455	100.0
100.77120	0.9
116.99498	3.5
174.99200	8.6
176.98941	2.8
185.35262	0.9
190.95439	1.0
205.04935	0.9
303.05072	0.8
328.18787	84.9
329.19174	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.01854	2.7
55.05506	18.2
58.06579	1.0
59.05000	1.0
61.06546	0.9
67.05486	5.1
69.03416	2.5
69.07060	5.5
70.55234	1.5
79.05489	10.0
81.07042	6.9
83.04951	2.2
83.08611	13.1
91.05453	4.3
91.37723	0.8
93.07026	3.6
95.08595	3.0
97.10152	25.8
98.98453	100.0
105.07008	4.6
107.04965	1.5
107.08580	32.0
109.10128	2.0
111.08011	1.1
111.87395	0.9
116.84645	1.0
116.98660	1.3
116.99485	3.4
117.42732	0.9
119.08575	1.9
121.10118	0.9
125.09612	20.7
125.15602	0.8
126.24791	0.9
131.08589	1.7
133.10120	3.0
135.08057	2.8
145.10060	2.3
147.11679	3.1
149.09555	1.4
153.09068	1.6
159.11736	1.5
171.10161	2.8
173.13339	1.0
174.99236	6.9
176.98892	2.6
183.62439	1.0
189.11198	33.8
190.95407	1.0
232.96355	1.8
250.99901	0.9
257.19012	2.5
275.20035	22.2
276.20193	1.4
293.21075	2.0
328.15408	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21370	0.5
55.05505	4.6
58.06585	4.4
58.26902	0.5
59.04979	0.5
63.76465	0.5
67.05482	4.6
69.03429	0.8
69.07059	3.4
70.41460	1.1
79.05479	4.1
81.07036	3.7
83.04971	0.8
83.08611	2.8
84.04477	1.5
88.25567	0.5
91.05475	2.2
93.07018	2.8
95.04953	1.1
95.08601	3.2
97.10156	4.6
98.98450	100.0
102.05533	0.8
104.99243	0.7
105.07014	2.0
107.08556	3.8
109.10143	1.6
116.99471	3.4
119.08599	0.6
121.10130	1.3
125.09599	3.4
127.63647	0.6
128.26204	0.5
130.04996	1.2
131.08505	0.9
133.10123	2.0
145.10139	0.6
147.11702	0.8
148.06047	1.9
172.94221	0.9
174.99203	6.9
175.99594	0.6
176.98921	2.3
189.11220	4.2
190.95439	0.6
250.97632	0.6
251.00008	0.8
252.99626	1.2
265.08514	1.7
275.20059	3.4
283.09418	1.0
328.15396	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45398	1.0
54.87395	1.0
54.97235	1.1
55.05508	5.7
57.40606	1.0
67.05497	10.4
69.03425	1.1
69.07059	3.9
69.55038	4.9
71.04984	2.2
72.96906	1.0
78.96390	1.0
79.05489	7.6
80.92716	1.0
81.03371	1.7
81.07050	6.0
83.08607	2.6
91.05473	5.7
93.07038	8.0
95.04951	3.7
95.08604	6.1
97.10125	1.8
98.22739	2.2
98.98455	100.0
102.09364	1.1
105.07018	6.2
107.08576	5.5
109.06524	1.4
109.10137	6.4
116.99471	2.4
119.08548	6.1
121.10135	4.8
131.08562	1.5
133.10139	4.3
137.09584	2.2
145.10112	2.3
154.12192	2.1
157.10176	1.2
172.13322	2.6
172.94394	1.6
173.11708	3.5
174.99203	8.3
176.98903	3.7
210.68425	1.2
225.12401	1.4
229.63206	1.1
252.99693	1.3
275.19907	2.8
328.15271	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77594	0.5
55.05497	2.4
58.06579	1.5
58.95324	0.6
60.51109	0.5
67.05489	2.6
69.07053	1.5
70.55252	0.8
71.04970	0.6
79.05480	2.5
81.07025	3.3
83.08640	0.8
91.05473	2.1
93.07022	2.1
95.04939	1.1
95.08624	1.7
98.09681	0.9
98.98452	100.0
104.99221	0.8
105.07035	2.1
107.08573	1.5
109.10116	1.0
116.99500	2.7
119.08566	0.9
121.10120	0.7
137.23352	0.6
140.01051	1.0
151.09258	0.6
159.11690	0.9
174.99194	7.2
176.98868	3.1
183.64224	0.6
192.41100	0.6
205.04982	0.8
232.96451	0.9
252.99785	1.1
275.19977	1.7
328.15228	1.0
328.18768	12.1
328.24713	0.8
328.28412	0.8
329.24808	0.7
331.05255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
56.05024	4.9
57.07058	1.3
58.06582	2.2
59.68401	0.5
60.04519	13.6
67.05498	3.7
68.05004	0.7
69.07052	2.6
70.06583	1.8
70.50253	0.6
70.50594	1.1
72.04507	1.4
74.06068	100.0
75.06387	0.7
79.05482	1.7
79.82780	0.5
81.07043	3.0
81.82858	0.5
82.06599	1.0
83.08597	1.7
86.06065	1.5
88.07600	1.0
88.77750	0.5
90.63787	0.5
91.05467	1.0
93.06995	1.3
94.06544	0.7
95.08601	2.7
97.06464	0.7
97.10172	0.9
98.98450	63.5
107.08595	0.9
116.99497	1.8
119.08595	1.0
121.10104	1.0
133.10110	0.9
140.01096	0.6
158.49966	0.5
174.99184	4.7
176.98955	2.2
180.77585	0.5
206.05186	0.7
280.26410	1.3
292.26675	0.8
298.27136	0.6
328.15182	1.1
328.28455	5.3
328.32117	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	329.138
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
51.02387	0.5
55.05495	0.6
57.54614	0.4
65.03944	0.5
67.05479	0.5
67.23500	0.4
69.03411	0.5
69.07059	0.5
69.60935	0.8
69.61324	0.8
71.30772	0.4
77.01601	0.5
77.03924	0.4
79.05475	1.0
79.23666	0.4
81.07040	0.6
83.01346	0.6
90.53577	0.4
91.05473	5.3
93.07050	1.1
95.04957	0.9
98.23384	0.7
98.98453	100.0
100.98903	0.7
103.05458	1.7
104.99238	0.4
105.07032	1.1
106.59726	0.4
107.04935	1.5
107.05580	0.4
107.08522	0.6
116.99498	2.4
119.04928	2.4
119.08587	0.4
121.06480	3.3
123.04492	0.4
125.25682	0.4
129.06990	1.7
131.04913	5.4
134.03638	0.5
135.04401	11.1
135.08063	0.5
137.05981	3.5
140.01056	0.7
141.06966	0.8
143.04860	0.6
145.06453	0.6
147.04405	0.6
149.02341	1.0
149.05960	12.2
151.07498	1.1
152.06142	0.7
157.06468	1.8
159.04393	2.4
161.05991	1.3
162.03087	4.9
163.03862	1.0
163.07545	2.9
165.05659	0.7
165.06998	2.9
166.07724	0.9
167.08527	5.1
169.06532	0.5
174.99214	8.1
175.07558	0.8
176.98898	4.7
177.05423	1.2
177.06955	0.9
178.07790	1.7
179.08537	0.8
181.06479	1.2
187.07526	0.7
189.09079	2.1
190.02599	9.0
191.03349	3.4
191.07045	0.9
193.04918	0.7
193.06535	1.2
193.10046	2.0
194.07213	0.5
195.08028	6.3
195.09709	0.7
197.05959	0.9
203.08475	0.6
205.04936	44.6
206.05298	2.5
206.07095	0.7
207.05554	1.3
209.05981	0.8
209.09634	0.5
210.06718	1.0
211.07524	0.6
212.08298	0.4
219.06485	9.9
221.05995	1.4
221.09622	2.9
223.07507	3.9
225.09093	4.1
226.02202	0.5
227.07079	0.5
227.10623	2.6
231.06442	0.5
233.08041	0.9
234.46925	0.4
238.06166	0.7
239.07001	0.7
240.07791	0.7
247.05972	2.4
249.09120	1.2
251.07016	2.7
251.10614	3.4
252.99646	0.8
253.08539	4.3
254.09087	0.5
255.10138	3.4
257.08130	1.6
259.09650	1.2
267.06436	1.0
268.07321	0.8
269.08115	0.6
270.08801	0.9
273.11087	0.5
279.10156	1.3
283.09592	5.7
285.11166	12.9
286.11673	0.7
287.09296	1.0
287.12704	0.4
311.12732	4.3
329.13699	4.1
329.17035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.138
Annotation	Clausenidin
Peak:m/z	Relative Intensity
67.05473	0.7
69.03417	2.8
69.68459	1.7
71.04967	0.9
77.03922	0.8
78.81266	0.5
79.01846	0.7
79.05492	2.4
82.83669	0.6
83.01343	2.2
91.05444	1.6
93.07037	1.7
95.04954	1.4
95.08578	0.6
97.06504	1.3
98.98453	6.7
103.05455	1.6
105.06996	2.3
107.04938	5.9
107.08569	3.3
109.06557	0.5
119.08549	1.7
121.06500	1.0
121.10121	4.9
125.09628	0.6
125.33636	0.4
128.06139	0.4
129.06972	0.7
131.04912	5.5
133.10130	2.5
135.04408	10.9
137.02283	0.6
138.64996	0.5
139.11165	1.7
147.04340	0.8
149.05922	2.4
159.04361	2.4
161.05991	0.5
162.03105	1.5
163.03885	15.9
174.99150	0.6
175.03873	1.5
177.05426	3.4
179.03328	0.6
185.06042	0.5
189.05467	0.6
190.02571	2.8
191.03363	100.0
192.02122	0.7
192.03656	3.2
195.64331	0.4
199.03894	1.1
203.03378	0.5
205.04941	28.4
206.05304	1.0
213.05443	0.6
217.04861	2.3
219.06508	5.0
231.06450	4.2
233.04469	2.8
233.07861	0.7
245.08073	0.8
259.09637	11.0
269.07999	0.9
271.09622	2.6
273.11142	1.3
283.09625	0.8
287.09094	1.6
287.12766	3.5
311.12714	13.9
311.66428	0.5
312.12976	0.7
329.13760	17.8
330.14185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1379
Annotation	Clausenidin
Peak:m/z	Relative Intensity
55.01865	0.8
55.05501	2.9
57.07063	0.5
59.05005	0.7
67.05494	1.6
69.03445	0.6
69.07057	7.3
71.04969	1.5
72.57181	0.4
79.05483	2.7
81.07050	3.3
83.01331	1.6
83.08614	1.2
91.05460	1.3
93.07032	1.4
95.04955	0.8
95.08595	2.9
97.06528	0.6
97.10159	0.8
98.23586	0.4
98.98454	67.5
100.98865	0.5
103.05479	0.7
104.99296	0.5
105.07015	1.8
107.04953	3.6
107.08591	2.6
109.02872	0.7
109.06520	2.1
109.10149	1.8
115.05424	0.6
116.99493	1.3
117.07032	0.6
119.08596	0.9
121.06490	1.1
121.10114	1.3
123.11694	1.8
128.06291	0.5
129.07056	0.5
131.04913	2.9
133.02811	0.9
133.10080	0.7
135.04396	7.8
137.02419	0.6
139.11165	1.7
143.08482	0.8
145.06483	1.2
147.04410	0.9
149.02330	1.3
149.05966	1.9
151.03824	0.7
151.11174	1.7
159.04385	1.9
161.05978	1.6
162.03069	1.4
163.03896	10.6
171.04390	0.8
171.08044	1.0
173.06000	1.1
174.99156	4.7
175.03905	1.7
176.98885	2.1
177.05476	2.1
179.03375	5.5
185.05927	0.7
189.05438	1.3
190.02570	2.3
191.03365	96.1
192.03708	2.9
195.08064	2.1
199.03909	2.9
199.07555	1.1
201.05396	0.8
203.03366	1.9
203.06973	1.2
205.01526	2.1
205.04938	22.5
206.05301	1.2
207.02829	0.7
209.09694	0.6
213.05531	1.3
213.09154	1.1
215.03374	2.7
215.06921	0.9
216.04138	0.6
217.04913	6.2
219.03041	0.7
219.06471	10.8
223.02345	0.8
223.07578	1.0
227.07025	0.9
229.04924	4.6
229.08446	0.6
231.06483	2.7
233.08029	6.5
236.10721	0.7
241.08626	1.0
243.06499	2.8
245.08072	6.1
247.05875	0.8
247.09618	0.7
252.99643	0.8
255.06427	2.2
257.08102	2.5
259.09637	3.8
261.07455	0.9
269.08029	8.8
270.08502	0.5
271.09589	2.7
273.07614	1.5
273.11218	0.6
280.09473	0.5
283.09576	1.7
285.11243	1.7
287.09100	3.8
287.12759	6.2
301.14166	2.0
311.12766	10.6
312.13116	0.7
329.13785	100.0
330.14038	6.6
351.09851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.5
57.03424	2.6
59.04976	1.2
61.02909	1.6
62.49969	0.7
63.02280	0.6
65.43895	0.6
67.05492	2.7
69.03413	6.4
69.07040	1.3
70.68960	1.2
71.04977	0.9
73.02914	0.8
75.04477	1.3
79.05484	8.5
81.03409	1.5
81.07044	10.7
83.04958	2.3
85.02887	10.9
87.04486	1.4
91.05473	6.2
93.06439	1.3
93.07035	26.2
94.07343	0.9
95.04939	2.9
95.08588	6.5
97.02901	3.1
97.06517	2.0
98.98457	100.0
103.05476	1.2
105.04494	0.6
105.07016	6.6
107.04938	1.9
107.08595	4.2
109.02874	1.3
109.06516	1.3
109.10151	0.7
111.04446	0.9
111.08056	1.8
116.99489	2.4
119.08575	1.9
121.06497	2.0
121.10130	61.7
122.10489	1.2
123.08050	2.2
123.11697	6.8
125.05969	4.0
126.69639	0.7
127.03890	2.1
131.08540	2.3
133.07544	1.0
135.04396	0.7
137.05981	2.1
137.30984	0.6
139.11180	6.5
144.91342	0.7
145.04880	1.1
145.10124	0.7
147.08044	0.7
149.09590	7.5
151.03900	1.7
151.05042	0.7
165.07051	0.7
167.10670	7.9
174.99213	8.8
176.98894	4.1
177.05386	0.7
191.03352	1.8
202.85657	0.6
205.04968	2.0
207.08247	0.6
236.04712	0.7
250.99995	0.8
251.10669	1.0
252.99701	0.7
268.07208	1.2
270.09018	0.6
283.09631	2.2
283.13031	1.2
311.12427	1.3
329.10309	0.8
329.13525	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	329.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01860	0.9
55.05493	1.1
57.03423	1.7
57.07041	0.6
59.04981	1.1
67.05473	1.8
69.03423	5.4
69.07045	1.2
69.16205	2.4
69.16610	1.4
72.30718	0.6
73.02898	0.7
75.04484	0.9
77.03868	0.7
79.05476	8.6
81.03397	1.7
81.07045	11.2
83.04967	1.5
85.02892	8.1
87.04460	1.5
91.05467	5.3
93.07027	23.6
95.04935	3.4
95.08583	5.4
97.02879	2.3
97.06506	1.3
98.98449	100.0
99.04450	0.7
100.98868	0.7
103.05488	1.1
105.07005	6.1
107.04962	1.6
107.08556	3.7
109.02872	0.9
109.06506	1.5
111.04467	0.9
111.08085	1.6
116.99502	2.2
119.08574	1.5
121.06467	1.4
121.10123	50.3
121.64255	0.6
122.10472	1.5
123.08070	1.7
123.11672	5.4
125.05952	3.8
127.03883	2.7
131.08563	1.8
133.07509	0.8
133.10100	1.0
137.05972	1.8
139.11127	4.9
145.04942	1.2
145.10057	0.7
149.09601	5.5
151.03912	1.1
163.03917	1.4
167.10631	7.2
174.99208	6.8
176.98927	3.5
191.03407	2.5
205.04846	1.3
252.99635	1.0
259.09686	0.9
265.79456	0.7
268.07379	0.8
283.09662	2.5
283.13135	1.4
297.07574	0.7
311.12784	1.2
329.13882	2.2
342.88330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01860	0.9
55.05493	1.1
57.03423	1.7
57.07041	0.6
59.04981	1.1
67.05473	1.8
69.03423	5.4
69.07045	1.2
69.16205	2.4
69.16610	1.4
72.30718	0.6
73.02898	0.7
75.04484	0.9
77.03868	0.7
79.05476	8.6
81.03397	1.7
81.07045	11.2
83.04967	1.5
85.02892	8.1
87.04460	1.5
91.05467	5.3
93.07027	23.6
95.04935	3.4
95.08583	5.4
97.02879	2.3
97.06506	1.3
98.98449	100.0
99.04450	0.7
100.98868	0.7
103.05488	1.1
105.07005	6.1
107.04962	1.6
107.08556	3.7
109.02872	0.9
109.06506	1.5
111.04467	0.9
111.08085	1.6
116.99502	2.2
119.08574	1.5
121.06467	1.4
121.10123	50.3
121.64255	0.6
122.10472	1.5
123.08070	1.7
123.11672	5.4
125.05952	3.8
127.03883	2.7
131.08563	1.8
133.07509	0.8
133.10100	1.0
137.05972	1.8
139.11127	4.9
145.04942	1.2
145.10057	0.7
149.09601	5.5
151.03912	1.1
163.03917	1.4
167.10631	7.2
174.99208	6.8
176.98927	3.5
191.03407	2.5
205.04846	1.3
252.99635	1.0
259.09686	0.9
265.79456	0.7
268.07379	0.8
283.09662	2.5
283.13135	1.4
297.07574	0.7
311.12784	1.2
329.13882	2.2
342.88330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1743
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
55.05501	0.9
59.51733	0.3
65.00500	0.4
65.24631	0.3
68.99779	0.8
69.03403	0.4
69.07054	1.6
69.88958	0.9
69.89294	0.3
79.05499	0.4
80.18071	0.4
81.07056	0.5
83.01322	1.2
83.08597	0.6
84.27427	0.3
87.15372	0.4
91.05473	1.6
93.07029	1.4
95.04941	0.5
103.05455	0.9
106.04158	0.7
109.06466	0.6
117.06962	0.5
119.04907	0.6
121.06485	6.5
123.11687	1.5
131.04922	4.3
134.03613	1.7
143.04813	0.4
147.04391	0.7
149.02333	0.6
149.05930	2.8
159.04387	2.1
162.03098	11.7
163.07487	0.6
173.06000	0.7
177.05438	2.6
190.02583	19.8
191.02963	0.6
191.06937	0.5
193.44817	0.4
199.03873	1.0
203.03200	0.5
204.04190	0.5
205.04938	100.0
206.05310	2.8
207.06456	0.6
219.06497	9.0
227.06961	0.5
233.08061	4.0
245.07977	0.5
247.09650	3.6
259.09631	2.0
261.11252	0.8
273.11215	2.7
291.48318	0.4
329.17374	2.6
353.01376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05495	4.9
57.03427	1.7
57.07071	0.8
67.05495	8.7
69.03419	61.3
69.07055	4.1
69.28444	3.1
71.04972	3.3
72.20317	0.8
72.93168	0.8
73.02907	1.2
79.05470	3.4
81.07046	18.0
83.04973	1.4
83.08602	3.8
85.02867	1.4
85.06510	3.6
91.05468	3.9
93.07027	5.2
95.08591	23.4
97.02879	87.9
97.06522	3.6
97.10189	1.1
98.03221	1.3
98.22678	1.4
98.98452	24.1
99.08058	2.8
105.07019	4.9
107.08566	2.3
109.10127	2.5
111.08043	0.9
113.09668	0.8
115.03914	100.0
116.04224	1.4
119.08555	8.5
121.10133	2.6
123.08078	1.2
129.76128	0.7
133.04951	1.7
133.10110	6.3
135.11667	2.8
137.09607	0.9
137.13248	2.7
161.13226	18.4
162.13600	1.0
171.18088	0.8
174.99208	1.2
179.14281	15.1
181.89018	0.9
187.05956	1.1
197.15364	4.9
215.16428	1.1
299.18460	2.1
311.18481	19.2
312.19116	0.9
329.19507	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	329.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76612	0.6
62.48135	0.7
70.06588	0.9
70.60709	0.6
71.92943	0.5
88.07608	1.4
98.98453	50.7
116.99473	1.7
140.01016	0.8
174.99139	3.2
176.98886	1.9
229.70096	0.6
247.60300	0.6
266.08795	0.8
312.32556	0.9
329.20813	100.0
330.21152	6.7
330.29996	0.9
330.33566	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	330.1092
Annotation	Fluridone
Peak:m/z	Relative Intensity
50.58427	0.2
65.25155	0.2
70.26277	0.6
70.43291	0.2
79.05477	0.3
80.45794	0.3
81.07011	0.2
91.05467	1.3
93.06996	0.4
95.04945	0.4
98.98448	12.5
100.98859	0.3
104.39178	0.2
105.07005	0.4
107.04903	0.7
114.04652	0.4
114.28673	0.2
118.30449	0.2
119.04913	0.5
121.06480	0.5
129.06958	0.7
135.04349	0.3
136.05179	0.2
137.05952	2.4
145.42004	0.3
149.05939	0.7
151.07500	3.0
152.06190	2.9
153.06836	0.3
156.05612	0.3
157.06490	0.4
158.59557	0.2
161.05946	1.1
161.09584	0.3
163.03865	0.3
163.07495	1.1
165.06935	0.5
166.04108	0.7
167.08517	0.6
174.06740	0.3
174.99196	0.5
176.98885	0.9
180.05666	5.1
181.06453	1.3
181.08606	0.3
182.07214	0.6
183.04355	0.4
184.05121	0.8
189.09035	2.0
194.03578	2.4
195.04408	0.5
195.07997	0.9
196.05156	1.2
197.05910	1.3
198.06680	1.0
201.05418	0.3
207.10091	0.3
208.05148	62.5
209.05568	3.6
210.06841	1.3
211.03877	2.0
211.07446	0.5
212.04674	1.9
213.05391	0.6
214.02571	0.3
221.05939	0.3
222.02992	2.1
223.07315	0.3
224.04599	2.4
225.05412	3.6
226.06186	4.0
227.06969	1.5
227.10628	0.6
228.04082	0.3
229.04922	1.1
236.04649	9.1
237.05101	0.7
237.09088	0.2
237.50444	0.2
238.06192	0.6
239.03244	0.7
239.06952	1.1
240.04144	8.4
241.04787	1.1
241.08499	2.1
242.05698	0.3
243.06523	0.8
244.07234	0.7
250.02496	0.3
253.04919	0.8
253.08443	0.4
253.12161	0.6
254.05693	12.4
255.06294	1.8
255.10085	0.6
256.07162	0.6
257.04401	6.4
257.07437	0.4
257.08173	0.4
258.04877	0.3
264.04123	0.8
266.05798	0.4
267.02994	0.5
267.06470	1.0
267.09799	0.2
268.03625	3.4
269.08029	31.4
270.05420	0.4
270.08362	1.8
271.05957	3.6
271.09601	2.6
272.03748	0.4
272.06717	7.5
273.07230	0.6
282.05197	4.0
283.05914	0.5
284.06476	0.3
285.04034	0.4
285.07471	0.7
285.11108	0.9
286.04681	1.1
286.08261	0.8
287.09048	4.5
287.12659	1.3
297.07437	0.7
299.05441	1.2
299.09061	1.9
300.06247	4.3
301.07031	3.2
313.14279	0.5
314.07666	0.6
315.01025	0.6
315.08557	97.7
316.08908	5.9
330.10898	100.0
331.08200	0.6
331.11429	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	330.1181
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
50.28466	0.3
53.03936	1.0
55.01862	0.6
56.96556	1.7
57.03425	0.8
61.02921	0.5
67.05502	2.4
69.03431	2.4
69.39449	0.8
69.39813	1.6
70.02962	0.4
70.06592	0.6
70.27061	0.4
72.08138	0.4
73.02901	1.1
77.03900	0.8
79.05484	8.3
81.03408	1.3
84.04485	0.4
84.08142	0.8
85.02892	7.9
86.09679	0.6
91.05470	0.4
94.06549	5.1
95.04960	7.0
96.04508	0.5
96.05278	0.4
97.02872	2.2
98.97603	1.9
98.98454	54.8
99.04454	0.5
99.98886	0.6
100.10476	0.4
100.98911	0.8
104.04975	0.4
105.03378	35.6
105.04504	1.0
105.21988	0.4
106.03675	0.9
106.06554	0.5
107.04950	2.7
109.02865	1.0
116.98597	1.6
116.99486	1.5
119.52193	0.4
122.06014	42.8
123.04413	10.1
123.06361	0.8
124.37757	0.4
127.03909	1.4
130.93269	0.6
132.04465	0.6
133.02826	12.7
134.03085	0.4
134.05991	0.7
134.99648	0.7
136.06152	1.3
146.05925	0.7
150.05473	2.0
151.03891	4.3
152.07030	1.3
164.07008	0.6
168.06537	100.0
169.06921	3.1
172.94295	2.0
174.04300	0.5
174.97813	0.6
174.99236	2.6
175.99597	0.5
176.98900	2.5
177.00838	0.4
177.99223	0.6
180.06657	0.4
190.95341	2.0
191.02246	0.5
192.06534	0.9
192.98624	0.6
208.96330	0.6
210.07568	5.1
216.96870	0.9
216.98753	1.0
219.01990	1.0
223.04172	0.7
234.99663	1.1
240.08823	0.5
256.96417	0.4
258.99643	0.6
260.05399	0.4
260.95831	0.6
264.95078	0.5
264.99017	0.4
270.97897	0.5
274.97504	1.2
288.95377	0.4
288.98959	0.7
292.98520	0.7
306.93332	0.5
306.96457	1.3
307.00018	0.5
307.03745	0.7
312.10727	9.0
314.12195	0.6
330.11786	27.2
331.09656	5.9
347.62872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
52.38275	0.6
56.74927	0.4
65.43106	0.5
73.71789	0.5
76.55140	0.6
77.03919	0.6
79.05476	0.8
81.07037	0.7
87.04484	0.7
88.68052	0.6
93.06985	0.7
95.04937	1.9
98.22726	1.6
98.52106	0.5
98.98448	38.9
101.80683	0.5
105.03374	9.6
106.06537	52.8
107.04945	0.7
107.06872	0.8
107.08560	0.7
116.04948	0.6
116.99493	1.7
130.35504	0.5
133.02827	100.0
134.03143	2.0
134.05991	15.8
135.06311	0.7
137.05933	4.8
165.05452	23.9
166.08606	32.7
167.09003	0.7
168.44118	0.5
172.03943	1.2
174.99184	1.7
176.07060	1.2
176.98859	2.1
192.08018	4.9
193.08827	0.6
204.06569	2.2
210.09154	2.8
219.13657	0.6
220.07475	3.5
238.08592	5.5
252.10207	1.2
266.08084	1.2
270.11215	5.7
283.24054	0.9
284.24329	1.0
298.10764	2.1
330.13092	1.3
331.18811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	1.0
55.01867	8.3
55.64481	0.9
57.03177	1.4
57.03435	17.7
58.69691	0.8
59.04990	1.3
60.62494	0.9
61.02924	16.0
67.07759	0.9
69.03426	25.8
71.01355	2.7
71.04990	2.1
72.04515	1.1
73.02911	100.0
74.03263	0.9
81.03417	4.3
81.07057	1.1
85.02897	71.4
87.04443	4.4
91.03938	4.7
91.05463	1.2
97.02883	45.2
97.10470	1.1
98.98460	55.5
99.04449	3.1
100.98898	2.1
103.03949	2.3
109.02864	5.7
115.03922	35.0
116.99489	1.4
119.05001	1.0
125.45251	0.8
127.03909	26.2
132.06599	1.7
133.04958	46.6
135.04425	1.0
137.05974	0.9
144.06601	1.3
145.04948	37.7
150.07593	5.2
156.06590	0.9
162.07588	1.6
163.05989	17.0
174.99178	1.6
176.98930	2.7
180.08659	2.8
193.04922	1.3
198.09705	4.6
199.05972	1.9
217.07214	2.0
220.30090	0.9
223.05972	5.0
241.07001	5.8
259.08109	9.5
262.62451	1.0
263.50293	1.0
277.09317	1.5
285.07327	1.1
286.11652	1.1
295.10184	4.2
296.33185	1.0
306.76657	1.0
330.13419	1.4
330.16989	2.8
331.11667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37029	0.8
67.05482	1.8
67.81968	0.8
70.08007	2.5
79.05499	1.0
81.07043	2.9
91.05469	1.2
93.07033	1.4
95.08590	2.6
98.23424	1.2
98.98457	100.0
100.98853	1.5
107.04936	2.6
109.09470	0.9
109.10130	5.1
111.53078	1.1
116.99470	3.2
119.04898	1.0
121.06502	2.6
123.11679	3.4
131.04863	1.2
132.05264	1.9
134.03571	1.0
135.04430	6.7
137.05885	1.2
140.29240	0.9
149.05965	3.1
150.03029	1.0
150.06296	1.2
150.74854	0.9
150.93468	0.9
162.03104	3.7
163.03899	5.6
174.99193	3.9
176.98967	4.6
177.05403	1.4
190.02591	6.3
191.03360	34.8
192.03662	2.9
205.04936	45.9
206.05283	16.8
219.06506	4.9
220.06804	4.1
224.07883	1.2
226.09358	1.7
227.10443	1.0
233.08128	1.3
248.06319	1.1
254.08728	1.3
257.07990	1.8
284.10010	1.3
286.11508	2.9
312.13077	2.1
313.14304	11.2
330.14148	5.0
330.24585	1.3
331.11639	4.2
331.15411	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	330.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53991	3.0
53.03905	2.7
54.91217	2.6
55.01879	6.4
55.05504	56.0
67.05495	19.6
69.03436	5.1
69.07055	5.8
69.11269	22.2
71.08620	4.5
73.52794	3.2
79.05488	15.0
81.07047	18.1
83.08607	35.2
87.04455	5.0
91.05473	5.9
93.07032	8.6
95.04942	3.4
95.08637	6.0
97.10155	66.9
98.98452	89.1
99.08073	3.6
107.08587	22.5
109.10153	6.3
111.53415	3.4
121.10140	3.0
125.09608	60.7
125.10494	5.0
126.12792	2.8
129.09079	3.4
135.08047	7.5
135.11638	3.2
147.11722	4.1
153.09119	5.7
171.10172	10.5
171.74602	2.9
174.99255	3.5
175.14842	3.7
176.98933	4.5
189.11198	100.0
208.49947	3.2
251.92516	3.1
259.20557	3.6
277.21585	52.0
295.22446	4.5
330.30045	7.0
330.33694	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01835	0.9
53.68429	0.9
55.05508	8.4
56.97953	0.9
57.03441	1.8
57.04681	0.8
57.07072	8.9
58.06597	7.5
67.05498	7.6
69.07055	2.9
70.06571	3.0
71.08629	10.9
72.08146	24.0
73.33955	1.0
79.05476	4.3
81.07051	8.3
83.04952	2.4
83.08628	5.7
85.06561	0.9
87.04456	8.9
88.07623	6.0
91.05465	2.4
93.07024	3.5
95.04959	1.2
95.08582	3.7
95.56862	0.9
97.10159	7.6
98.98457	64.2
99.08061	3.8
100.98862	1.1
101.06006	14.5
102.09139	1.5
104.99239	1.2
105.07005	1.8
107.08561	3.0
109.10147	3.4
116.99473	1.5
119.08533	2.4
121.10155	1.1
123.11697	1.2
125.09619	8.0
133.10104	1.1
136.67096	0.9
143.07362	1.0
144.38962	0.9
151.11166	2.3
153.08990	1.0
155.14021	0.9
156.17451	16.0
161.13226	1.5
165.05408	2.9
166.05716	1.9
170.19037	5.9
174.99185	2.4
176.98901	3.4
179.14252	2.4
179.53806	1.0
189.11205	12.4
191.03197	2.8
203.92035	1.2
205.04932	3.2
206.05261	3.4
207.05504	2.2
218.21095	1.3
256.26434	5.2
268.29962	30.7
270.27756	2.0
277.21542	9.0
295.22464	1.5
324.50894	1.0
330.29901	19.7
330.33569	100.0
331.18701	1.5
331.30212	1.4
331.33765	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	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.05497	8.0
57.03430	1.9
57.07072	2.1
58.06586	2.4
60.04525	7.7
67.05491	14.2
69.07063	4.6
69.59418	1.4
70.06580	2.7
72.08157	1.9
72.08746	1.5
79.05472	5.5
81.07033	12.8
83.04977	2.8
83.08610	5.1
87.04448	12.0
88.07614	4.8
91.05463	4.3
93.07030	6.6
95.04970	3.0
95.08585	6.8
97.10148	1.9
98.98451	100.0
101.06014	6.5
102.09124	2.1
104.99236	2.2
105.07004	3.2
107.08594	3.6
109.10138	6.3
116.99466	3.3
119.08529	3.8
119.77968	1.6
121.10121	3.3
123.11703	2.2
133.10063	1.7
135.11684	2.0
139.11115	2.7
151.82437	1.5
155.10609	1.9
155.56255	1.7
173.11729	6.2
174.99167	3.7
176.98907	7.5
256.26099	2.4
263.79108	1.6
268.29907	3.6
270.27875	2.3
277.21555	5.6
295.22693	3.2
330.29941	18.4
330.33640	13.8
331.18799	9.7
343.39914	1.5
345.00275	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74405	0.6
61.05152	0.6
63.97408	0.6
69.65565	1.9
83.04921	0.7
83.19536	0.6
85.02859	0.8
98.98449	42.9
100.98849	0.8
116.99485	1.2
151.11147	1.0
169.04697	100.0
170.05054	1.9
174.99205	1.7
176.98909	2.8
185.04182	15.9
202.08591	0.7
271.29260	0.7
331.09943	43.1
332.10388	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	331.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09467	0.4
66.42477	0.4
69.03420	0.5
70.59190	0.6
79.05501	0.6
84.04472	0.9
84.08127	0.8
85.02880	1.8
86.09697	2.3
94.25887	0.4
97.02899	0.7
98.98452	31.2
100.98880	0.6
106.06525	0.9
107.04890	0.8
109.06387	0.4
112.63458	0.4
116.04953	1.0
116.99486	0.6
127.03900	0.9
129.10258	0.6
134.05968	1.5
140.86951	0.4
145.04997	0.8
149.02307	0.7
152.03096	0.4
152.07025	3.1
169.04724	1.0
174.99239	0.6
176.98898	1.4
181.05017	0.5
188.65796	0.4
215.23419	0.4
234.99004	0.8
245.08034	0.5
296.11163	0.6
298.36743	0.5
315.24274	0.5
331.09946	100.0
331.13052	3.6
332.10251	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	331.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65511	0.4
69.54595	2.0
79.05484	2.1
83.07077	0.5
84.08124	0.9
85.02891	3.3
86.09698	1.0
92.64684	0.4
93.79020	0.6
97.02911	0.7
98.98456	54.0
100.98933	1.0
106.06551	2.2
107.04945	2.3
116.04935	1.0
116.99534	1.2
127.03889	1.3
129.10313	0.5
134.06012	2.8
135.04417	0.9
135.29066	0.5
136.97447	0.5
145.04953	1.2
152.07045	9.5
169.04733	0.6
174.99207	2.2
176.98891	3.4
188.09012	0.6
194.08051	0.5
252.99754	0.6
264.68289	0.7
289.71964	0.5
296.11191	0.9
299.07431	1.8
314.12430	1.4
331.09967	100.0
331.13489	8.0
332.10406	4.1
332.14087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	1.4
57.03426	2.2
58.43845	1.0
61.02918	2.9
65.03963	1.1
65.37537	0.9
69.03440	5.2
70.03332	3.6
73.02907	1.9
79.05482	13.0
81.03421	2.4
84.08138	1.3
85.02399	1.6
85.02901	27.5
87.04440	1.0
91.03957	1.5
95.04981	1.3
97.02893	8.5
98.98457	36.3
99.04477	1.6
104.04981	1.4
106.06557	8.3
109.02842	1.6
122.06017	3.0
127.03904	5.6
134.06000	40.0
135.06316	1.4
145.04941	11.2
148.07469	2.4
150.05476	4.7
152.07050	38.4
163.06020	2.4
165.41864	0.9
170.08072	1.1
174.99107	1.3
176.07039	3.2
176.98930	2.4
194.08131	18.0
194.65848	1.0
195.08406	0.9
196.98061	1.0
227.06953	1.2
236.06975	1.6
236.09111	1.5
240.03926	1.1
240.06364	1.6
253.09773	1.5
288.64081	1.0
291.19104	1.1
291.26877	1.1
292.77505	1.0
296.11542	1.4
299.10257	4.6
308.31137	1.0
314.12265	13.2
323.70407	1.2
331.09933	100.0
331.13159	7.4
332.10178	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50636	2.1
69.50980	10.3
70.06205	2.3
79.05490	18.7
85.02898	5.1
91.15876	2.2
98.98453	100.0
104.05027	2.9
106.06538	16.6
107.04944	13.6
116.04961	8.3
116.99572	2.7
134.06003	20.7
135.04419	7.0
152.07048	78.0
174.99178	4.3
176.98907	6.3
194.08182	3.6
231.70117	2.5
264.39331	2.7
270.56528	2.3
296.11176	5.8
314.12256	13.0
331.10123	3.7
331.13559	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1533
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
51.02384	0.3
55.01863	0.3
60.42846	0.2
62.73394	0.2
67.05494	0.6
67.41262	0.2
68.99781	0.7
70.71754	0.4
71.04977	0.6
73.24997	0.2
75.65809	0.2
75.76147	0.2
79.05473	0.4
81.07055	1.3
83.01355	1.2
91.05468	0.9
93.07030	2.0
95.04963	0.5
95.08594	3.2
98.98454	4.4
103.05454	0.7
105.07003	0.4
106.04171	0.3
107.04893	0.3
107.08577	0.6
109.10161	1.8
119.04906	0.4
121.02818	0.3
121.06491	5.3
121.10162	0.2
122.06853	0.2
131.04919	2.6
133.02847	0.3
133.06531	0.3
134.03636	1.0
147.04358	0.6
149.02371	0.4
149.05948	2.7
159.04453	1.1
162.03099	9.5
163.03706	0.5
163.07492	0.3
177.05449	2.3
190.02583	19.6
191.03069	0.9
191.06981	0.3
193.04968	0.7
199.03888	0.6
203.03474	0.3
205.04938	100.0
206.05289	4.1
207.06557	0.5
209.06047	0.3
219.06500	11.8
220.06804	0.4
221.04375	0.4
231.06496	0.7
233.08122	2.2
246.07704	0.3
247.05963	0.3
247.09569	0.4
249.07632	0.4
257.08008	0.7
261.11206	1.2
266.48553	0.2
271.09586	0.5
273.11108	0.5
275.09277	0.6
289.14212	0.7
313.14322	11.4
314.14581	0.4
331.15298	1.4
331.18747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05507	6.5
63.02794	1.2
65.03928	2.3
67.05498	2.4
69.59933	4.9
71.04990	1.6
79.05481	4.2
80.02811	1.2
81.07045	3.7
82.06544	2.4
83.04980	1.5
83.08635	3.8
87.52151	1.2
91.05464	31.2
94.04195	4.2
95.04950	9.6
95.08579	1.2
96.37689	1.3
98.98453	73.7
100.11229	17.7
103.05478	4.2
105.07007	7.3
107.04946	8.0
107.08589	1.7
108.93949	1.3
109.06512	6.7
109.10139	1.7
110.06033	1.9
111.04444	3.6
114.07384	1.3
115.05448	2.9
115.97411	1.5
117.03384	1.4
118.49023	1.3
119.04925	21.3
121.06463	7.0
122.03624	10.1
125.05971	1.5
128.06194	6.3
128.07040	1.5
129.06982	16.7
131.04883	7.2
133.06462	2.8
135.04436	1.8
135.08069	7.0
136.05177	5.7
137.05954	89.5
138.06337	2.8
139.08624	1.5
143.04976	1.9
145.06476	4.1
146.03606	2.0
147.04379	2.0
147.23039	1.4
148.05116	1.5
149.05968	16.5
151.03874	5.7
151.07518	100.0
152.06192	4.0
152.07846	2.2
153.07018	1.8
157.06480	12.4
161.05934	12.9
161.09596	4.6
162.06830	1.4
163.03905	2.9
163.07506	18.6
165.05547	2.9
165.07008	17.1
165.09131	4.3
166.07770	4.6
167.08530	18.0
169.06496	3.7
174.06769	6.6
175.07527	4.4
176.98924	4.8
177.05481	1.8
177.06929	2.5
177.09111	2.4
178.07700	6.8
179.08563	2.8
181.05092	1.4
181.06474	6.1
181.10110	1.7
182.07277	4.7
182.15421	5.1
183.08011	1.9
184.08817	2.1
187.07457	1.7
189.09084	33.3
191.03349	9.3
191.08603	2.7
192.09395	1.7
193.06467	10.2
193.10091	9.9
194.07271	2.9
195.08020	30.7
196.08646	2.6
197.05986	5.6
197.09569	2.4
199.07663	2.0
203.08588	2.4
205.04884	2.0
206.07272	1.5
207.08202	1.7
207.10181	5.2
209.06003	3.0
209.09627	5.5
209.16458	2.6
210.06738	11.8
210.14946	2.9
211.07547	6.1
212.08284	5.0
213.05438	1.8
219.08180	1.7
220.08765	2.1
221.06042	13.5
221.09550	12.8
223.07535	11.5
224.08325	4.0
225.05576	3.2
225.09093	11.6
225.12563	1.3
226.19151	2.2
227.07066	2.8
227.10619	29.2
228.10974	1.6
231.08093	1.4
237.05388	2.2
237.09035	3.5
238.06187	6.2
239.07072	3.1
239.10623	2.3
240.07837	4.0
241.08502	3.4
241.12195	3.0
249.09096	6.3
252.07663	2.0
253.08589	15.1
253.12215	19.1
254.09113	3.2
254.12344	1.5
255.06357	1.6
255.07048	1.6
255.10135	31.9
256.10611	1.8
257.07907	1.7
263.10690	1.3
267.10043	7.3
269.07962	6.2
270.08859	3.0
272.10303	2.4
281.11749	5.8
284.10358	3.1
285.11166	17.5
287.12695	39.8
288.13254	2.4
298.11877	1.8
301.14200	2.0
313.14310	14.8
331.11676	3.0
331.15417	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	331.1535
Annotation	Hericenone A
Peak:m/z	Relative Intensity
53.03943	0.4
55.01863	0.7
55.05488	0.5
66.56208	0.4
67.05492	1.1
69.07056	0.5
71.04973	2.1
71.18916	0.6
72.80975	0.4
74.55808	0.4
79.05476	2.6
81.07040	2.1
83.01331	2.1
87.21987	0.5
91.05515	0.6
93.07014	1.0
95.04938	1.4
95.08588	2.4
98.98453	36.5
100.98840	0.8
102.35020	0.5
105.04501	0.5
105.07017	0.5
107.04951	4.4
109.10133	4.4
116.99427	1.1
121.06463	1.0
121.10083	0.6
123.11686	2.7
127.18989	0.6
131.04898	1.4
135.04395	10.4
135.11615	0.5
141.12735	0.9
145.02750	0.6
147.04391	0.5
149.05942	1.0
159.04338	0.6
160.28026	0.5
162.03094	2.3
163.03882	13.6
164.04161	0.5
171.07991	0.8
174.99174	0.9
175.03825	0.6
176.98886	2.7
177.05490	1.3
189.05676	0.5
190.02625	4.1
191.03360	100.0
192.03688	3.9
193.04887	1.1
199.03912	0.5
199.07494	0.5
205.04933	24.9
206.05269	1.3
217.04977	1.0
219.06438	3.9
227.07100	0.6
231.06581	0.6
232.06062	0.6
233.08105	3.9
243.41467	0.5
245.08063	2.4
257.08154	2.9
261.11194	13.3
262.11432	0.5
271.09564	1.5
313.14267	11.1
331.15305	18.4
332.15714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98838	0.9
57.45061	0.9
65.03933	3.1
69.16388	1.9
69.16790	5.6
76.29066	1.0
79.05479	3.1
81.03439	1.3
81.07046	1.8
91.05468	28.4
92.26054	1.0
94.04169	4.0
95.04958	7.7
98.22749	1.7
98.98448	17.0
100.98835	1.2
103.05443	4.2
105.07008	5.5
107.04945	7.6
109.06509	3.6
111.04404	1.3
115.05402	1.9
117.07041	2.2
119.04923	21.0
119.72768	1.1
121.06484	6.2
122.03631	8.9
123.04454	1.3
128.06198	6.3
129.06995	16.1
129.07864	1.8
130.07323	1.3
131.04939	5.3
131.08522	1.9
133.06479	2.8
135.08022	4.9
136.05174	4.5
137.05956	80.9
138.06317	2.1
143.04892	1.5
145.06447	4.3
146.03601	2.4
148.05177	1.3
149.05969	14.0
151.03880	2.5
151.07515	100.0
152.06186	5.3
152.07838	3.5
153.06938	1.9
153.84192	1.0
157.06456	12.9
161.05968	13.8
161.09589	3.5
163.07512	24.0
165.06952	12.8
165.09071	5.4
166.07651	2.2
167.08517	17.6
169.06502	1.5
171.07904	1.3
174.06734	8.4
175.07472	4.0
177.05455	1.0
177.06834	2.0
177.09100	3.2
178.07742	6.5
179.08562	1.3
181.06445	4.4
181.10088	2.5
182.07246	4.7
183.07948	1.6
184.08736	1.2
187.07526	1.4
189.09076	33.3
192.09280	2.5
193.06479	7.5
193.10114	7.0
194.07245	3.7
195.08023	25.8
196.08699	1.6
197.05927	5.2
197.09555	1.3
199.07526	1.2
202.07730	2.2
203.08560	3.0
205.06436	2.7
206.07321	1.7
207.08060	2.5
207.10103	5.0
209.05959	3.1
209.09543	5.0
210.06757	9.9
211.07430	3.4
212.08257	5.4
220.08966	1.1
221.06070	8.7
221.09509	10.2
222.06674	1.8
222.10211	1.3
223.07478	12.2
224.08302	5.0
225.05464	2.6
225.09012	10.4
226.09534	1.4
227.07030	2.4
227.10629	31.4
228.11064	1.4
234.06711	1.1
235.07523	1.0
237.05238	1.1
237.09105	3.3
238.06227	5.5
238.09857	2.0
239.06895	3.0
239.10547	1.8
240.07834	3.5
241.08549	2.6
249.09050	6.5
252.07782	2.4
253.08557	14.0
253.12201	16.5
254.09050	2.0
255.07306	1.6
255.10117	30.3
256.10660	2.3
259.13104	1.3
266.09409	1.3
267.10056	6.2
269.08005	5.6
269.11725	2.0
270.08865	1.4
272.10403	4.1
281.11694	6.5
282.12186	1.4
285.11142	19.0
286.11435	1.3
287.12714	41.7
288.13004	1.4
298.11920	1.3
299.12714	1.6
313.14282	10.8
331.17673	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52121	1.0
55.01857	1.3
55.05503	2.0
60.04518	1.6
65.03932	2.8
66.13059	1.1
67.05502	3.7
69.03409	1.1
69.07072	1.2
69.87229	1.0
71.04986	1.3
77.03921	1.1
79.05487	5.6
81.07052	8.4
81.09314	1.1
83.04966	1.8
87.04407	1.0
89.43336	1.3
91.05466	34.4
93.07031	2.3
93.35684	0.9
94.04182	3.3
95.04945	8.0
95.08572	5.3
97.06521	1.2
98.22701	2.8
98.43218	1.1
98.98456	76.2
100.98871	2.4
103.05470	5.6
105.07027	6.8
107.04951	8.1
109.06528	6.6
109.10175	3.3
110.06014	1.8
111.04428	1.8
115.05455	2.9
116.99511	1.5
117.07001	3.2
119.04932	19.1
119.08569	1.3
121.06480	7.3
122.03635	9.9
123.08066	2.2
123.11709	1.7
128.06195	5.6
129.06981	20.0
131.04887	5.2
133.02802	1.3
133.06471	2.9
133.10074	1.9
135.07990	7.0
136.05167	5.1
137.05963	93.0
138.06352	2.1
139.07497	1.1
143.04904	2.4
145.06476	3.6
145.10118	1.3
146.03633	1.6
146.07266	1.6
147.04422	1.3
149.05966	17.0
149.13414	1.3
151.03894	4.3
151.07521	100.0
151.14737	1.1
152.06210	5.0
152.07899	3.7
153.07074	2.1
155.08574	1.4
155.32214	1.2
157.06471	12.9
158.07240	1.2
161.05965	18.7
161.09624	4.0
163.07529	24.0
165.06992	12.1
165.09108	5.0
166.07756	4.3
167.08540	20.5
169.06480	3.7
173.05930	1.4
174.06778	5.8
174.99255	3.1
175.07545	4.5
176.98915	6.8
177.05528	1.3
177.09180	3.2
178.07738	7.3
179.08502	2.7
181.06470	5.4
181.10007	1.8
182.07179	5.8
183.08073	2.3
184.08882	1.9
189.09090	35.3
190.09518	1.8
192.09242	2.0
193.06464	8.2
193.10086	10.1
194.07245	4.1
195.08032	24.5
196.08632	2.3
197.05899	6.4
197.09541	1.9
199.07597	2.2
202.07751	1.4
203.08592	3.4
205.06544	1.5
206.07176	2.6
207.08160	2.5
207.10149	4.2
209.05951	3.7
209.09625	3.8
210.06706	9.4
211.07498	5.7
212.08313	4.9
219.07939	2.2
220.08827	1.3
221.05981	8.1
221.09575	12.5
222.06694	2.1
223.07512	13.3
224.08344	5.2
225.05554	1.9
225.09081	14.4
227.07161	1.8
227.10616	28.4
228.10982	2.1
231.08138	1.2
237.05449	1.9
237.09207	3.2
238.06216	7.0
238.09769	1.9
239.06917	2.4
239.10699	1.7
240.07698	2.4
241.08585	2.8
241.12331	2.6
249.09021	6.1
251.07018	1.6
252.07857	2.6
253.08585	13.8
253.12201	17.4
255.10126	36.3
256.10553	2.8
265.08377	1.2
267.10217	4.4
269.08099	4.8
269.11829	2.7
272.10388	3.6
275.38779	1.2
281.11719	5.7
284.10352	2.7
285.08282	2.5
285.11188	23.0
286.11499	1.4
287.12735	45.2
287.15961	2.2
288.13156	2.4
295.22675	1.3
299.12793	1.9
301.14267	1.3
313.08316	2.7
313.14325	11.2
331.12030	3.3
331.15414	4.4
331.19055	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01860	1.2
65.03944	1.9
70.66982	1.3
79.05498	2.9
81.07053	2.0
81.87418	0.8
91.05465	31.8
92.05763	0.9
94.04168	3.1
95.04961	6.7
98.98451	18.0
103.05471	5.0
105.03376	1.3
105.07027	5.5
107.04932	7.3
108.05756	0.9
109.06509	3.8
111.04420	1.6
115.05442	2.9
117.06984	2.2
117.36357	0.8
119.04922	20.4
121.06481	6.7
122.03632	8.6
122.05999	1.0
123.04414	1.3
123.08115	0.9
128.06227	5.0
129.06993	15.4
131.04935	6.0
131.08560	1.4
133.02831	9.0
133.06471	3.0
135.08072	5.1
136.05168	3.6
137.05954	79.4
138.06238	1.6
141.07027	1.1
143.04901	1.7
145.06480	3.8
147.04436	0.9
147.08073	1.7
148.05156	1.3
149.05951	14.6
151.03862	2.4
151.07518	100.0
152.06177	4.7
152.07841	2.8
153.06990	2.1
154.07820	1.2
155.06027	0.9
156.05641	1.0
157.06471	14.2
158.07266	1.1
160.03915	1.1
160.05144	1.0
161.05965	12.7
161.09648	3.2
162.93596	0.9
163.03918	1.4
163.07510	21.3
164.07886	0.9
165.06979	12.2
165.09146	3.6
166.07745	4.2
167.07140	1.6
167.08539	14.8
169.06459	2.9
174.06715	6.6
174.99287	0.8
175.07513	4.8
176.08031	1.0
177.06976	2.5
177.09117	2.9
178.07768	7.6
179.08549	2.5
181.06464	6.0
181.10075	1.3
182.07236	3.6
183.07979	1.3
187.07506	1.8
189.09079	35.2
190.09398	1.1
191.08589	1.3
192.09286	2.2
193.06464	7.3
193.10117	6.8
194.07166	3.9
195.08023	26.8
196.08704	3.4
197.06007	5.5
197.09651	1.3
202.07704	1.5
203.08537	2.5
205.06551	1.1
206.07275	1.9
207.04352	1.0
207.08156	1.6
207.10165	4.0
209.05956	3.5
209.09567	4.3
210.06715	10.0
210.10176	1.0
211.07494	3.6
212.08324	5.5
219.07870	2.0
220.08818	1.8
221.06009	10.1
221.09572	9.9
222.06451	1.1
222.09966	1.2
223.07506	11.5
224.08282	3.7
225.05466	1.4
225.09055	10.8
226.08615	0.9
227.07050	2.1
227.10605	30.3
227.12767	1.8
228.10973	1.8
231.08095	1.3
237.05591	1.4
237.09032	3.9
238.06241	6.3
238.09787	1.9
239.06949	2.5
240.07793	3.1
241.08560	1.8
241.12193	1.9
249.09128	5.8
250.09825	1.2
251.07091	1.2
252.07741	2.0
253.08583	15.3
253.12230	15.1
254.08932	1.8
254.12410	1.7
255.06268	1.3
255.10115	32.1
256.10544	1.5
267.10208	5.7
269.08081	4.9
269.11676	2.0
270.08817	1.7
272.10498	3.4
281.11649	6.7
285.11176	20.7
285.14417	1.2
286.11523	1.1
287.12720	38.2
288.13046	2.4
298.12137	1.0
299.12683	1.4
301.14398	1.8
313.14273	11.3
314.14691	0.9
331.11871	1.5
331.15417	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	331.1538
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
51.56116	0.8
55.83226	0.9
58.26732	0.8
65.03934	1.9
66.45418	0.8
67.05495	2.4
70.03922	2.6
79.05476	3.8
80.47295	0.8
81.07056	2.9
91.05471	18.0
93.07050	0.9
94.04177	2.4
95.04945	5.3
95.08609	2.0
98.98453	100.0
100.98859	1.3
103.05448	3.0
103.32549	0.8
105.07018	3.2
107.04931	4.3
107.08597	1.6
109.06506	3.0
109.10143	2.5
111.04461	2.0
116.99486	2.8
117.07008	1.6
119.04939	9.7
121.06500	3.0
121.10152	1.2
122.03668	4.3
123.04369	1.4
123.08013	1.2
123.11653	1.9
128.06218	3.6
129.06967	8.5
131.04889	3.1
131.08524	2.0
133.06422	2.6
135.04391	3.6
135.08043	3.6
136.05170	2.8
137.05960	42.0
138.06316	1.0
139.11386	0.9
145.06462	2.4
146.03566	1.2
147.04340	1.9
148.05103	1.4
149.05963	7.1
149.68636	0.9
151.03870	3.1
151.07523	45.2
152.06209	2.6
152.07852	1.1
153.06938	2.2
154.18460	0.9
157.06444	6.9
159.04369	1.1
161.05989	7.0
161.09579	1.0
163.03873	2.7
163.07497	11.3
165.05478	6.3
165.06969	7.5
165.09137	2.7
166.07748	2.6
167.07137	1.7
167.08501	11.2
168.05659	1.3
169.06482	2.0
174.06732	2.6
174.99240	4.1
175.07491	2.1
176.98883	6.1
177.05525	1.0
177.09172	1.7
178.07736	3.7
179.08514	1.7
181.06506	4.7
182.07278	2.6
183.07991	2.8
185.05965	1.1
185.13171	1.0
187.07558	1.4
189.09081	16.4
190.02554	1.3
191.03358	16.8
191.06987	1.1
191.08563	1.1
192.03781	2.0
193.03722	1.1
193.05080	1.0
193.06488	3.5
193.10051	3.7
194.07167	1.6
195.08034	13.9
196.05190	0.9
196.08620	1.3
197.05859	4.5
199.03940	1.0
199.07568	1.8
202.07866	1.3
203.08565	2.2
205.04919	9.3
205.06602	1.5
207.08218	1.5
207.10155	2.6
209.05913	2.5
209.09729	1.7
210.06711	4.3
211.07501	4.1
212.08316	2.8
213.05482	1.0
219.02928	1.8
221.06073	4.5
221.09595	5.3
223.07486	8.3
224.08234	3.6
225.05434	1.6
225.09030	5.4
227.06960	2.3
227.10645	15.8
228.07698	1.4
229.08698	1.3
233.08138	1.1
237.05409	1.6
237.09145	1.0
238.06200	5.2
238.09979	1.3
240.07761	1.9
241.12271	1.3
249.09149	2.7
252.07671	1.1
252.99951	1.1
253.08545	8.2
253.12167	8.6
255.06477	0.9
255.07472	1.4
255.10106	13.9
256.10638	1.6
257.07962	2.0
261.11136	2.0
267.10056	2.3
269.08090	2.4
270.08875	1.0
271.05933	1.5
271.09686	1.7
272.10199	2.1
281.11716	2.4
285.11185	9.2
285.14255	1.6
287.12692	19.3
288.13004	1.1
303.15988	1.7
313.14279	7.2
331.11633	12.8
331.15292	4.5
332.11816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	(-)-Thannilignan
Peak:m/z	Relative Intensity
53.03944	3.4
55.01864	4.8
58.37487	2.9
60.07776	2.9
62.08669	2.8
69.03444	5.1
69.48621	13.5
78.31432	3.1
79.05477	4.9
81.07040	4.9
85.02917	2.9
85.53619	2.6
86.09716	5.5
91.05470	37.3
93.07040	4.8
95.04956	6.6
95.08603	3.4
97.02872	3.6
98.98456	92.4
103.05458	11.6
105.07016	7.3
107.04945	26.8
109.06540	8.6
111.04383	3.4
119.04923	20.9
121.06500	13.7
121.41893	3.1
122.03638	6.5
128.06189	4.1
129.06987	14.6
131.04909	10.2
133.02818	4.1
133.06534	2.9
135.04375	4.3
135.08073	10.3
136.05144	4.8
137.05949	79.4
145.06494	4.4
146.07269	6.4
147.04382	3.8
147.08041	3.4
148.03957	4.8
149.05936	17.5
151.07527	100.0
157.06503	13.3
161.05962	55.3
161.09624	11.6
163.03891	4.8
163.07532	43.1
165.06947	14.9
165.09111	5.9
166.07668	3.7
167.08499	16.3
169.06500	5.1
173.12846	3.6
174.06763	7.6
175.07445	3.6
176.98886	8.1
178.07809	7.9
181.06410	5.5
182.07274	5.2
189.09096	50.6
193.06490	5.1
193.10172	8.1
195.08061	22.9
197.05960	3.4
207.08217	5.1
207.10126	28.2
209.05992	3.5
210.06789	13.2
211.07578	5.8
221.05945	7.1
221.09622	12.3
223.07562	12.6
225.09140	12.7
227.10629	31.4
236.07286	6.8
237.09102	3.7
238.06291	3.6
249.09100	3.4
253.08643	16.7
253.12112	20.7
254.08250	8.4
255.10156	30.4
267.10144	7.0
269.08060	4.5
272.10330	5.3
281.11777	5.8
285.11102	25.6
287.12735	45.4
299.12589	3.8
313.14340	12.3
331.17120	11.2
332.11157	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	331.1536
Annotation	(-)-Thannilignan
Peak:m/z	Relative Intensity
65.03928	2.0
70.82710	3.9
79.05482	3.1
85.54142	1.5
91.05466	31.5
91.17394	1.8
94.04163	4.5
95.04960	8.1
98.98451	13.7
103.05462	5.7
103.43742	1.5
105.07025	5.4
107.04915	8.6
109.06501	4.8
115.05450	1.7
119.04916	21.5
121.06486	6.8
122.03634	8.3
123.07992	1.6
128.06224	5.7
129.06978	16.9
131.04939	6.1
135.08009	6.0
136.05171	6.7
137.05951	81.8
138.06306	2.9
145.06525	4.4
146.03639	1.9
149.05977	15.1
151.03912	2.5
151.07520	100.0
152.06183	4.7
152.07774	1.8
157.06473	12.0
161.05974	15.6
161.09567	1.9
163.07506	20.4
165.06978	11.6
165.09096	6.2
166.07713	2.8
167.08546	19.3
169.06476	2.4
174.06750	8.1
175.07559	2.8
177.06976	2.7
177.09071	3.4
178.07782	7.1
179.08429	1.9
181.06477	5.2
182.07307	4.0
189.09074	31.2
191.08595	2.4
192.09250	2.8
193.06429	7.7
193.10062	8.0
194.07262	4.1
195.08015	31.5
196.08727	4.3
197.05992	4.5
202.07709	1.7
207.07953	1.8
207.10152	4.2
209.06030	2.9
209.09578	5.4
210.06703	9.2
211.07434	6.0
212.08308	6.1
221.05917	10.1
221.09505	9.3
222.06718	2.1
223.07448	11.5
224.08298	2.9
225.05486	2.4
225.09026	11.9
227.07077	3.6
227.10629	29.2
237.09042	6.4
238.06200	5.7
238.09833	2.6
239.07056	2.6
240.07805	4.4
241.08533	2.2
249.09117	5.9
251.07245	1.9
252.07753	3.2
253.08537	13.2
253.12177	15.9
255.10106	30.3
256.10687	2.4
267.10184	5.0
269.08112	4.3
269.11456	2.9
272.10400	3.8
281.11679	5.7
284.10464	2.3
285.11160	18.5
287.12701	41.8
301.14417	2.0
313.14255	12.2
331.15393	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.9
67.05483	3.5
69.51309	6.5
70.37512	1.6
79.05494	4.6
81.03413	2.3
81.07050	3.7
83.62514	1.7
86.20385	1.9
91.05466	35.8
93.07046	2.1
94.04193	3.2
95.04981	9.9
98.98453	38.6
103.05440	2.6
105.07009	7.7
107.04931	7.8
109.06520	5.7
109.10126	1.9
117.07009	2.2
119.04919	18.5
121.06499	7.0
122.03635	10.4
123.11684	2.5
125.32957	1.9
127.11214	3.6
128.06209	8.3
129.07014	17.1
131.04904	7.6
131.08459	1.9
133.06465	2.4
135.08025	5.5
136.05180	5.1
137.05960	78.8
145.06445	5.0
149.05946	14.1
151.03801	2.2
151.07518	100.0
152.06187	5.5
152.07919	3.0
153.06963	2.5
157.06476	15.9
161.05974	13.8
161.09561	3.8
163.07512	24.6
165.07007	15.6
165.09138	5.9
166.07684	4.4
167.08525	18.9
174.06773	9.7
175.07509	6.1
176.98878	3.2
177.07028	3.2
177.09119	4.2
178.07779	7.7
179.08261	2.3
181.06465	6.8
182.07278	5.7
189.09081	34.2
192.09265	3.2
193.06444	7.4
193.10083	7.5
194.07240	3.9
195.08015	25.3
196.08829	2.5
197.05878	5.4
203.08345	2.8
206.07277	3.2
207.10063	4.4
209.09619	4.6
210.06747	8.6
211.07452	2.8
212.08328	5.1
215.08183	3.8
221.05966	8.4
221.09503	12.9
222.06618	2.5
223.07576	12.3
224.08318	4.6
225.09030	9.9
227.10640	29.0
228.11005	2.7
240.07739	4.0
249.09065	6.1
253.08549	16.8
253.12166	14.8
255.06407	3.6
255.10118	36.0
267.10272	4.7
269.07971	3.7
269.11768	3.9
272.10480	2.8
281.11670	5.7
285.11115	19.1
287.12741	42.2
313.14597	10.9
319.22971	2.2
331.12549	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	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85863	1.3
55.01869	1.4
65.00452	1.2
67.05486	1.9
69.03424	1.9
69.07056	4.7
69.19292	2.7
69.19692	5.4
72.08153	15.8
73.08468	4.4
77.03911	1.4
79.05485	5.0
81.03436	1.6
81.07061	3.6
83.04951	1.3
84.08111	1.5
84.49011	1.4
86.09695	3.7
87.10059	2.8
91.05462	35.3
93.07021	1.3
94.04166	4.8
95.04952	10.7
98.98452	69.3
100.98849	1.5
103.05434	5.0
105.07025	6.4
107.04945	9.1
107.08575	1.4
109.06494	5.8
111.11681	2.9
115.05458	2.4
119.04929	18.8
121.06477	5.7
121.10117	2.1
122.02802	1.2
122.03588	9.2
122.06023	1.8
123.04406	5.5
123.08001	1.8
128.06201	5.6
129.06967	15.5
131.04903	7.4
131.08554	3.8
133.02821	1.7
133.06483	3.7
135.04379	1.5
135.08054	6.3
136.05220	2.5
137.05960	90.4
138.06354	2.2
139.07448	1.6
143.04846	1.8
145.06444	4.3
146.03671	1.8
148.03873	2.6
149.02325	4.8
149.04713	3.6
149.05927	16.4
150.05519	1.7
151.03949	4.5
151.07521	100.0
152.06134	7.0
152.07860	3.7
153.06998	2.1
155.06070	1.7
157.06465	15.7
158.07222	1.8
161.05968	15.3
161.09572	3.8
162.05467	3.2
162.06645	1.5
163.03879	2.1
163.07536	24.5
165.04158	2.1
165.06976	12.7
165.09076	4.3
166.05025	2.7
166.07710	3.4
167.08540	19.2
169.06496	2.6
171.14960	2.2
172.15219	2.3
174.06735	6.7
174.99188	3.1
175.07518	6.1
176.98944	3.2
177.06956	2.2
177.09047	4.1
178.04915	2.3
178.07736	8.1
179.08542	2.1
179.83990	1.5
180.06480	2.2
181.06168	1.8
181.07310	6.2
181.12166	2.9
182.07236	4.0
183.08156	2.4
184.08958	2.1
185.16574	1.7
189.09090	35.8
190.09575	2.0
192.09213	2.6
193.06441	6.1
193.10109	7.0
194.07191	3.8
195.08035	25.7
196.05179	1.8
196.08818	1.6
197.05949	5.1
197.09583	2.5
202.07822	2.2
203.08530	3.7
205.06409	2.5
206.07260	2.6
207.08301	2.2
207.10135	7.4
209.05917	3.6
209.09596	3.9
210.06650	10.0
211.07410	3.1
212.08235	5.3
213.57872	1.5
220.08939	2.0
221.06023	8.7
221.09518	11.8
223.07480	13.0
224.08174	5.9
225.05426	1.9
225.09032	11.8
227.07051	3.7
227.10599	29.7
228.11040	1.7
237.05635	1.8
237.09105	2.7
238.06161	5.5
238.09973	1.7
239.06961	4.0
240.07719	3.8
241.08498	2.9
249.09062	5.8
251.06981	1.6
252.07858	2.0
253.08588	16.9
253.12144	14.1
254.08974	1.8
255.06355	1.9
255.10124	34.6
256.10483	3.4
267.10031	3.7
269.08005	4.9
269.11496	2.4
270.08725	2.3
272.10471	3.2
281.11765	7.1
284.10440	2.2
285.11169	19.5
287.12735	45.3
288.13095	4.3
298.11804	2.2
313.14502	10.2
331.09067	3.6
331.15668	2.5
332.11227	29.8
332.24277	2.0
350.25204	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.3
65.03927	2.2
66.04681	1.1
67.05490	1.4
69.03423	0.8
70.67083	1.2
77.03925	0.8
79.05477	2.9
81.03409	1.0
81.07044	3.1
85.02892	0.9
86.14777	0.7
91.05466	37.6
92.05823	1.2
93.07056	1.3
94.04185	4.6
95.04963	8.5
95.08618	1.2
98.98455	65.0
100.98874	1.7
103.05453	6.1
105.07021	6.7
107.04929	9.8
109.06493	4.6
111.04419	1.8
113.06042	0.8
115.05462	3.9
116.99502	1.0
117.06989	2.1
119.04932	21.6
119.08573	0.9
121.06495	9.1
122.03632	9.7
123.08005	1.7
128.06198	5.8
129.06985	18.3
131.04918	6.9
131.08543	2.2
133.02895	1.0
133.06494	2.6
134.03552	1.2
135.04463	0.9
135.08029	5.7
136.05202	4.4
137.05959	91.7
138.06323	2.1
141.07014	1.1
143.04913	1.5
143.08453	0.9
145.06461	4.1
146.03592	2.0
146.07233	1.6
147.04379	1.6
147.08041	1.2
148.05191	2.3
148.30405	0.8
149.05951	17.9
149.07033	1.4
150.06657	0.9
151.03960	4.2
151.07520	100.0
152.06177	5.3
152.07864	2.3
153.06937	2.5
154.07780	1.0
155.05974	0.8
155.08615	0.9
156.05783	0.9
157.06464	14.6
158.07259	1.1
160.05055	0.9
161.05963	16.8
161.09601	3.5
162.06673	2.0
163.07530	22.9
165.06984	15.8
165.09090	5.7
166.07704	3.3
167.07161	1.3
167.08524	21.1
168.08984	1.0
169.06473	4.0
174.06731	7.1
174.99171	1.5
175.07487	5.2
176.98856	4.7
177.05544	1.0
177.06961	3.1
177.09081	2.9
178.07739	7.6
179.08559	2.9
181.06454	6.4
181.10072	1.8
182.07216	4.5
183.08035	2.7
184.08765	1.4
187.07497	1.1
189.09071	34.3
191.08517	1.6
192.09299	3.0
193.06464	8.8
193.08267	0.8
193.08620	0.9
193.10130	9.5
194.07213	3.4
195.08034	31.8
196.08640	3.5
196.45224	0.8
197.05927	8.8
197.09637	2.6
199.07471	1.1
199.11205	0.9
202.07712	2.0
203.08560	3.7
204.16121	0.8
205.06425	1.9
206.07277	3.0
207.04544	1.2
207.08173	1.7
207.10138	6.3
209.06038	3.8
209.09583	2.9
210.06718	9.6
211.07523	4.3
212.08321	5.8
219.07945	1.9
220.08775	1.7
221.06070	9.4
221.09578	15.0
222.06638	1.6
222.09943	1.1
223.07501	12.9
224.08273	5.6
225.05421	2.8
225.09094	13.7
226.09604	0.8
227.06952	3.1
227.10628	33.0
228.10942	1.8
231.08003	1.0
234.06616	1.4
235.07585	1.6
235.11298	0.9
237.05449	1.6
237.09099	3.6
238.06235	6.5
238.09857	1.9
239.06989	3.2
239.10606	1.7
240.07747	4.4
241.08521	2.8
241.12292	2.2
249.09128	6.1
251.06981	1.4
252.07729	2.5
253.08565	17.0
253.12196	18.9
254.08926	1.3
254.12563	0.9
255.06618	1.8
255.10127	34.4
256.10611	2.2
259.13269	1.1
266.09244	1.6
267.10132	6.1
269.08105	5.2
269.11639	2.6
270.08655	3.1
272.10471	4.8
281.11743	6.7
284.10406	1.8
285.11176	22.7
286.11609	0.9
287.12720	41.4
288.13095	1.2
298.11856	1.5
299.12701	1.4
301.14197	1.7
313.14276	9.0
331.11148	4.6
331.15326	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	331.1536
Annotation	Hericenone A
Peak:m/z	Relative Intensity
55.01851	0.4
57.35291	0.2
59.66159	0.2
59.91735	0.2
67.05492	1.2
69.07044	0.2
70.67095	0.4
70.67422	0.3
71.04980	2.7
77.03899	0.3
79.01823	0.6
79.05472	1.7
81.07043	1.9
83.01324	1.5
89.03875	0.3
89.12613	0.2
89.26096	0.2
93.07022	0.5
95.04929	0.5
95.08601	1.7
98.98457	6.1
99.08083	0.4
105.04510	0.2
105.06984	0.3
107.04935	3.7
107.08501	0.2
109.10131	3.9
114.81873	0.2
119.04869	0.2
121.10108	0.8
123.11684	2.8
127.11137	0.3
128.06302	0.2
131.04887	0.8
135.04395	9.9
135.11682	0.6
136.04710	0.5
137.02287	0.6
141.12723	0.6
143.08531	0.4
149.05925	0.6
153.12704	0.8
159.04372	0.4
159.39626	0.2
163.03876	13.2
164.04202	0.5
171.08061	0.4
175.03918	0.5
176.98944	0.3
177.05428	0.6
179.03337	0.3
191.03355	100.0
192.03720	3.0
193.04991	0.4
199.07457	0.5
203.03409	0.2
203.07039	0.3
205.04924	6.5
207.02863	0.8
213.05360	0.3
217.04948	0.7
219.06509	2.3
227.07002	0.5
229.04996	0.4
230.87428	0.2
231.06468	0.5
233.08028	3.1
243.06497	0.6
245.08063	2.6
246.08377	0.2
247.09737	0.6
257.08102	2.6
259.09601	0.5
261.11191	12.3
262.11462	0.8
271.09573	0.9
313.14279	9.4
314.14575	0.5
331.15335	16.6
332.15656	1.2
351.68787	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59284	0.3
51.67694	0.3
55.01846	0.4
58.42115	0.3
59.04977	0.2
67.05477	1.1
69.66707	0.8
71.04984	2.5
74.77557	0.3
77.03884	0.3
79.01804	0.5
79.05493	2.3
81.07044	1.6
83.01328	2.3
83.05017	0.2
89.03909	0.4
91.05427	0.3
93.06988	0.3
95.04934	1.0
95.08587	1.2
98.21111	0.2
98.22653	0.5
98.98460	5.9
103.05431	0.3
107.04937	3.9
107.08569	0.4
109.10133	4.0
121.10133	0.7
123.11670	3.1
125.12118	0.2
127.11172	0.3
128.06201	0.3
131.04866	0.8
135.04401	10.3
135.11670	0.8
136.04671	0.3
136.06558	0.3
137.02318	0.5
141.12749	0.6
143.08519	0.6
147.04416	0.4
149.05946	0.5
153.12709	0.9
159.04408	0.5
163.03883	13.3
164.04224	0.5
171.07988	0.5
175.03883	0.8
176.98961	0.5
177.05461	0.6
179.03345	0.6
191.03363	100.0
192.03722	3.3
193.04942	0.7
199.07454	0.6
203.03368	0.3
205.04948	6.2
206.05272	0.3
207.02820	0.4
217.04851	0.9
219.06503	1.9
227.06972	0.5
229.05173	0.3
231.06427	0.6
233.08023	2.8
245.08000	1.6
247.09637	0.4
257.08032	2.2
258.08295	0.3
259.09497	0.3
261.11191	10.6
262.11588	0.6
271.09512	0.8
273.11185	0.3
313.14319	8.7
314.14563	0.7
331.15347	15.9
332.15878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1534
Annotation	Hericenone A
Peak:m/z	Relative Intensity
55.01862	0.5
55.05488	0.3
67.05481	1.1
69.07040	0.5
69.68578	1.2
71.04985	2.2
79.01848	0.5
79.05480	2.2
81.07035	1.4
83.01324	1.8
93.07027	0.7
95.04907	0.5
95.08588	1.9
98.98453	17.5
100.98878	0.5
107.04941	4.2
107.08546	0.3
109.02917	0.3
109.10152	3.9
121.10107	1.1
123.11684	2.4
131.04904	1.1
135.04390	9.7
135.11687	0.7
137.02289	0.4
141.12682	0.7
143.08475	0.4
145.02786	0.4
149.05983	0.6
153.12704	0.8
159.04378	0.5
163.03882	12.6
171.08017	0.4
174.99174	0.6
175.03879	0.9
176.98882	1.2
177.05409	0.8
179.03378	0.6
191.03360	100.0
192.03709	3.7
193.05150	0.4
196.68736	0.3
199.03905	0.3
199.07512	0.8
205.04932	8.0
206.05278	0.8
207.02826	0.6
207.05444	0.3
217.04826	0.8
219.06482	2.8
220.06816	0.5
227.07117	0.6
231.06497	0.5
233.04536	0.3
233.08096	2.9
240.34415	0.3
245.08055	2.7
247.09608	0.6
257.08002	2.7
259.09457	0.5
261.11179	12.4
262.11392	0.3
271.09622	0.7
275.09036	0.3
313.14319	10.3
314.14542	0.8
331.15320	18.5
332.15524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
57.07059	0.4
66.92129	0.3
67.05492	0.9
68.99795	0.3
69.07069	1.3
70.10008	0.7
71.04989	0.4
79.05479	0.4
81.07053	1.3
83.01314	0.6
88.07616	0.5
91.05464	1.4
93.07040	1.5
95.04980	0.4
95.08585	4.0
98.22794	0.3
98.98450	14.1
100.98871	0.4
103.05440	0.6
105.06961	0.3
107.08567	0.7
109.02813	0.3
109.06468	0.3
109.10169	1.8
121.02841	0.6
121.06485	4.1
121.10131	0.5
131.04906	4.1
134.03572	0.4
135.04372	0.4
147.04398	0.6
149.02266	0.5
149.05959	2.5
159.04411	1.9
161.02362	0.3
162.03079	6.4
163.03824	0.5
163.07513	0.8
174.99236	0.6
176.04704	0.3
176.98915	0.7
177.05449	2.2
190.02574	14.7
191.03349	2.9
191.06915	0.7
192.03714	0.3
193.04979	0.7
199.03864	0.3
204.04063	0.4
205.04930	100.0
206.05254	3.8
207.06499	0.8
219.06479	16.9
220.06804	0.8
231.06458	1.0
233.08015	2.3
247.05974	1.6
249.07219	0.3
257.08008	1.2
261.11188	0.6
270.28030	0.5
271.09674	0.5
275.09079	3.6
289.14511	0.4
289.99930	0.3
313.14282	14.0
314.14606	1.4
331.15320	1.5
332.31537	1.8
334.14780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1874
Annotation	Carnosol
Peak:m/z	Relative Intensity
52.41173	0.6
60.78645	0.6
70.52100	1.6
98.98448	38.9
145.10078	0.7
174.99207	2.3
176.98886	3.4
187.05348	0.8
193.45692	0.8
252.99608	0.8
302.32648	0.7
331.18738	100.0
332.19061	5.5
333.73962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1875
Annotation	Carnosol
Peak:m/z	Relative Intensity
61.82083	0.5
65.27161	0.5
69.13276	0.5
69.20995	3.6
72.89642	0.5
85.37910	0.6
87.04443	0.6
98.22724	1.4
98.98444	19.1
101.65994	0.5
107.08530	0.6
119.08539	0.6
168.06671	0.5
174.99255	1.0
176.98929	1.3
201.69110	0.5
220.06612	0.6
249.10977	0.7
330.30151	0.7
330.33548	2.6
331.18719	100.0
332.19067	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	331.1874
Annotation	AM4299A
Peak:m/z	Relative Intensity
51.25023	1.5
55.12584	1.6
58.06599	2.2
60.92472	1.8
74.06046	2.6
81.07095	1.6
81.79070	1.4
88.07613	10.3
90.93165	1.5
91.05484	2.1
95.08604	1.9
96.77261	1.5
97.87457	1.6
98.98447	100.0
100.98876	3.2
116.99483	3.6
139.85271	1.6
174.99176	5.2
176.98898	7.5
178.09087	1.6
192.02271	1.7
252.99628	2.4
313.17682	43.5
330.30298	3.1
330.33649	6.9
331.10141	2.9
331.18716	78.8
331.30264	4.9
331.33783	3.8
332.19052	4.1
345.08304	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2241
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
57.07058	1.2
62.20516	0.8
62.58683	1.0
66.51128	0.8
69.21958	4.3
75.47357	0.8
98.22643	1.2
98.97824	1.4
98.98461	22.9
100.98906	1.2
116.99532	1.3
121.10150	0.9
129.57130	0.9
174.99185	1.4
176.99019	1.1
201.81833	0.8
233.86270	0.9
301.34543	1.2
331.22400	100.0
331.33978	3.1
332.22751	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	331.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25905	0.8
55.75211	1.0
56.57702	1.0
57.07068	1.1
70.93317	1.8
72.08141	2.6
72.37753	1.2
75.58621	1.0
91.05467	1.5
94.70676	0.9
98.06028	1.2
98.98461	23.8
123.56432	1.0
174.99147	1.7
176.98938	2.7
234.39728	1.0
273.54114	1.1
275.42154	1.1
278.58588	1.1
305.52142	1.0
331.22397	100.0
332.22794	6.5
332.29288	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	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	9.4
57.03416	6.3
57.07069	100.0
58.07395	3.5
63.13073	1.9
64.88753	1.9
67.05493	26.8
69.07059	17.1
69.93487	4.7
70.06591	8.7
71.06908	2.7
71.08624	69.6
72.08963	2.1
73.62789	1.7
75.04471	3.3
75.21297	1.7
79.05466	2.0
79.79822	1.6
81.07049	33.0
83.08604	25.2
85.10174	37.2
85.10691	2.0
87.50105	1.5
88.07617	8.7
89.07968	2.9
91.05491	4.1
93.01659	1.5
93.07031	3.6
95.08594	54.4
95.22755	1.8
97.10162	12.0
98.23370	2.1
98.98454	24.1
99.11702	2.0
102.09146	3.6
105.89566	1.7
106.08651	6.3
109.10146	22.2
111.11710	2.8
118.56480	1.7
119.66741	2.0
123.11703	12.9
137.13217	3.1
163.55261	1.7
165.16472	2.1
239.23674	18.5
257.24716	6.1
313.27310	46.6
313.33047	5.5
319.82602	1.8
328.52722	1.9
331.33954	95.5
332.33630	3.6
351.84259	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.0
55.98764	1.6
57.03417	7.1
57.07066	100.0
58.06569	2.3
63.41892	1.6
65.46149	2.1
66.96395	1.9
67.05494	25.6
69.07057	19.3
69.19526	10.5
70.06583	9.5
71.06911	2.3
71.08620	65.5
75.04467	3.8
79.05467	3.0
79.44922	1.9
81.07049	35.7
83.08603	23.0
85.09689	2.8
85.10166	35.4
88.07636	11.1
93.06979	2.0
95.08587	49.6
96.08934	2.1
97.10144	12.3
98.23521	3.1
98.98441	30.6
99.11717	2.4
106.08651	5.8
109.10136	25.9
111.11677	4.0
117.67753	1.6
123.11665	11.8
124.58116	1.8
125.13254	3.3
126.90774	1.6
137.13239	4.3
151.14795	1.9
157.96143	1.7
176.98932	3.1
224.70757	2.1
239.23701	13.7
257.24768	7.6
313.27307	54.4
313.32941	4.1
314.27686	4.6
331.33936	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	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.8
57.03414	6.6
57.07067	100.0
58.07400	3.4
67.05495	25.7
69.07056	16.9
69.20683	6.7
69.21085	3.6
70.06571	7.4
71.08622	64.1
72.08956	2.9
75.04452	2.4
79.05480	2.8
81.07051	27.2
83.08607	24.5
84.08892	1.7
85.06516	2.3
85.10171	37.0
85.92445	1.5
88.07618	9.4
89.06008	3.1
89.07944	2.1
91.05460	3.7
93.07030	3.2
95.08593	52.8
97.10160	11.6
98.98457	44.7
99.11723	3.2
106.08627	2.9
109.10148	25.2
111.11684	4.3
123.11718	12.7
131.14227	1.6
137.13226	4.7
151.14738	3.0
174.34511	1.6
176.98944	2.1
221.22672	2.3
239.23672	18.7
257.24695	6.5
313.27310	52.8
313.32877	3.0
314.27698	3.9
331.29956	3.3
331.33920	62.2
332.33676	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43221	0.3
65.03925	1.2
68.99776	0.8
69.58081	1.2
72.08136	1.0
78.04716	0.4
79.05484	2.9
81.07065	0.6
84.08118	1.0
86.09702	3.5
91.05412	0.4
95.04951	0.6
98.98451	7.5
106.06541	11.6
107.04935	3.0
121.02852	8.8
122.06022	0.9
123.04422	0.5
124.07500	0.5
134.03668	0.5
134.06001	15.2
135.04414	2.3
135.06377	0.5
137.02298	0.5
138.03085	1.0
141.06973	0.6
145.02757	0.4
149.02322	100.0
150.02650	2.6
151.06245	0.6
152.07063	19.6
153.05453	13.1
153.06979	1.9
157.06470	1.1
162.26851	0.3
165.06937	0.7
170.08084	0.3
173.02423	0.4
176.98888	0.7
181.04941	41.9
181.06375	2.5
182.05316	1.1
182.06801	0.5
185.05972	0.7
187.10733	0.3
197.06010	2.9
199.07558	1.1
199.18024	0.9
204.06477	0.5
209.05914	1.0
209.07838	0.7
210.06680	0.7
211.07437	0.9
213.05415	0.8
215.07040	0.7
222.07619	0.4
227.07016	1.5
236.07042	0.7
237.05367	2.3
237.07309	2.1
254.08073	1.8
255.06361	2.0
255.08716	0.4
265.04898	0.6
269.10297	0.4
283.06027	1.3
314.10138	0.5
332.11230	6.3
332.14737	1.2
333.11295	0.4
333.14880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85081	0.3
54.34017	0.2
65.03920	1.0
69.55602	0.5
69.55985	0.6
78.04663	0.3
79.05485	2.5
80.58100	0.2
81.07032	0.3
84.08099	0.3
85.02871	0.3
86.09679	2.8
95.04944	0.4
96.08154	0.3
98.23374	0.5
98.98457	4.0
100.98869	0.2
103.41673	0.3
106.04140	0.3
106.06536	9.1
107.04940	2.7
121.02846	8.8
121.03489	0.1
122.05985	0.6
123.04406	0.7
124.07563	0.5
129.06960	0.5
134.03693	0.5
134.05992	15.1
135.04410	1.9
135.06245	0.4
137.02263	0.4
138.03087	0.9
141.06926	0.4
144.57642	0.3
148.06035	0.2
149.02313	100.0
150.02644	2.6
151.06248	0.6
152.07040	18.7
153.05444	11.8
153.07007	1.0
154.05777	0.3
155.08469	0.3
157.06482	0.6
157.13336	1.0
162.05463	0.4
165.06938	0.9
176.06984	0.3
181.04927	45.9
181.06305	2.1
182.05241	0.9
182.06778	0.5
184.07536	0.3
185.05893	0.5
197.05949	1.3
199.07513	0.8
199.18016	0.6
204.06497	0.5
208.07462	0.3
209.05971	0.8
209.07867	0.3
210.06731	1.1
211.07452	0.9
211.09401	0.3
213.05461	0.8
225.09105	0.6
227.07039	1.8
227.17467	0.3
236.06918	0.5
237.05348	2.9
237.07401	1.0
254.07983	1.4
255.06319	1.5
255.08775	0.3
265.04819	0.3
269.07870	0.3
283.06021	0.9
287.08969	0.3
300.08466	0.3
314.09918	0.3
315.08798	0.4
332.11246	8.2
332.14850	1.5
333.11450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
54.12233	1.8
57.03416	4.4
61.02919	9.5
69.03425	20.7
69.15321	9.8
72.08142	6.0
73.02904	4.1
81.03411	6.9
81.24490	1.7
85.02893	100.0
86.09696	10.5
87.04453	4.0
91.03939	6.4
97.02880	27.7
98.22664	3.8
98.97545	2.5
98.97859	2.0
98.98450	19.7
99.04449	3.7
102.05523	2.7
107.04937	34.1
107.95011	1.6
108.08110	2.2
109.02857	6.9
124.07497	3.4
127.03905	23.1
145.04950	45.7
149.02336	3.4
153.05457	14.0
162.07704	2.0
163.06023	7.6
170.08105	6.1
180.08630	12.7
181.04984	4.3
185.16537	2.4
193.40309	1.9
213.16034	2.4
219.06526	4.5
238.16418	1.8
321.15851	1.7
332.13889	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	332.1338
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03929	0.8
56.96286	0.8
56.96560	12.8
57.03413	1.5
61.02911	2.7
65.03938	1.0
67.05492	3.7
69.03417	6.9
71.04971	0.9
71.19560	0.8
72.08140	1.0
73.02903	2.5
79.05477	1.9
81.03407	1.9
81.06995	0.8
84.08119	3.0
84.96016	2.1
85.02890	10.1
86.09711	1.1
87.04460	1.8
93.05787	1.1
96.08089	0.9
97.02882	4.4
98.97569	22.1
98.98426	4.7
99.04436	0.8
104.10710	2.4
106.06543	5.1
107.04938	0.8
108.08098	100.0
109.02836	1.3
109.08427	2.7
110.97551	3.7
112.99181	0.7
116.98612	8.2
123.06779	5.7
124.07571	18.2
124.99077	0.7
127.00620	4.1
127.03835	1.3
128.98586	3.2
129.02206	1.2
129.10202	2.1
130.10574	1.1
131.05484	0.7
134.05980	14.4
134.99583	1.5
136.06148	1.4
136.07561	14.1
140.98570	0.7
143.00124	1.7
143.01840	0.8
145.01700	2.3
145.04907	1.1
146.99617	1.6
149.02312	1.0
152.07042	71.0
152.98566	1.4
153.07430	1.3
154.08649	1.2
158.99622	7.1
161.01189	0.7
170.08096	11.0
170.99628	7.3
172.94334	1.2
173.01218	1.5
177.00693	5.0
189.00671	12.7
190.95343	1.1
191.02293	1.1
194.94661	0.7
194.99695	0.7
207.01727	3.4
213.00688	8.4
218.98354	1.2
219.01790	5.4
231.01765	2.6
232.96455	0.8
236.95662	1.6
236.99480	2.1
237.02736	6.6
255.01772	2.2
273.02863	1.3
288.99249	0.6
292.08221	0.6
297.03217	0.7
314.12280	39.8
315.03897	2.9
315.12695	1.8
332.06937	2.0
332.13345	58.6
333.04990	15.6
333.10794	1.2
333.13913	2.6
350.07977	1.1
350.96255	0.6
351.05893	11.3
351.09964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75367	1.2
55.05503	4.2
56.05026	5.1
57.03428	1.2
59.90009	1.1
60.04519	100.0
67.05500	12.2
69.07049	4.5
70.06568	2.1
70.71156	1.2
72.04475	1.6
74.06071	3.0
79.05482	5.2
80.05019	1.2
81.07042	11.1
82.06556	2.4
83.08619	2.3
91.05467	5.4
93.07030	5.2
94.06557	3.1
95.04939	1.4
95.08093	1.0
95.08607	7.4
97.06510	1.6
98.06031	1.0
98.98450	22.5
100.98894	1.7
104.41465	1.0
105.07014	3.1
107.08572	2.8
109.10136	4.9
115.35429	1.0
119.08540	1.6
121.06474	1.2
121.10113	3.1
123.11662	1.4
131.08542	1.6
133.10100	1.4
135.11610	1.4
149.13188	1.3
248.23814	1.5
260.23779	2.0
266.24734	1.3
274.11752	2.0
278.24728	7.2
296.25702	11.9
314.26813	15.5
332.11792	2.4
332.27905	63.6
333.20734	1.3
333.28192	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	332.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70573	0.8
55.05489	1.0
55.91063	0.8
56.05027	12.7
56.96560	2.0
57.07067	7.7
58.06598	7.6
60.04510	2.3
62.71169	0.8
63.77339	0.8
67.05496	1.0
67.66752	1.0
69.07059	1.9
71.08611	5.0
73.17532	0.9
74.06075	10.0
85.10173	2.4
86.06068	1.4
88.07619	39.3
88.41075	0.7
91.05473	2.8
92.29589	0.9
93.07036	1.6
95.08628	0.9
98.22704	2.4
98.98457	10.2
105.07013	2.3
105.27706	0.9
118.08646	6.1
119.10543	0.8
122.08137	6.1
129.18773	0.9
159.45802	0.8
171.11693	1.2
241.19562	1.1
272.80804	0.9
284.29453	33.9
285.29773	1.9
303.16293	5.3
314.30597	2.2
315.08307	0.9
315.16403	0.8
321.17395	1.1
322.19171	0.9
324.89078	0.8
332.18875	2.1
332.31528	100.0
333.17096	13.2
333.20456	1.5
333.24091	2.4
333.31891	6.3
342.05905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80921	7.2
69.24099	36.7
69.24413	9.1
77.18557	7.3
92.74081	6.8
98.22740	15.3
138.91945	6.8
195.59695	5.9
198.30254	7.8
333.05780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0579
Annotation	2'-Deoxyinosine-5'-monophosphate sodium salt
Peak:m/z	Relative Intensity
58.84943	3.6
70.04587	10.7
98.97551	6.1
102.06052	4.3
153.34724	3.6
181.32574	4.0
202.50330	3.9
281.20151	4.5
333.05725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1153
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
50.89379	0.4
52.28040	0.4
53.07101	0.3
53.22829	0.3
53.60398	0.3
56.53481	0.4
56.96548	0.6
60.58425	0.4
69.03430	0.3
71.09740	0.4
71.54169	0.4
77.15935	0.4
85.02891	1.7
86.09689	0.5
91.05476	0.8
97.02888	0.9
98.97556	0.6
98.97758	0.6
98.98459	6.9
100.98872	0.5
105.98022	0.4
110.37805	0.4
119.04933	0.5
127.03927	0.4
137.02338	0.6
137.05962	3.2
139.03893	0.8
145.04924	0.5
154.08650	0.4
155.07082	0.7
170.06024	0.4
171.06325	1.7
176.98932	0.7
186.58493	0.4
273.09494	1.0
316.38846	0.4
333.11511	100.0
333.14810	4.8
334.11911	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	333.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.2
57.03421	1.5
59.00975	0.9
61.02889	1.1
65.03615	1.0
65.03933	4.4
69.03429	5.3
73.02892	1.0
81.03407	2.5
83.04949	1.8
84.08137	1.2
85.02893	17.5
85.03400	1.2
91.05502	1.5
93.03390	1.8
97.02885	5.0
98.97578	2.4
98.98449	17.5
107.04990	1.4
107.07977	1.0
109.02876	2.2
111.04427	14.9
116.98627	1.7
116.99461	1.1
121.03917	2.5
127.03917	4.0
132.08134	1.0
137.05927	5.2
139.03879	35.3
145.04990	2.8
154.08603	1.5
156.04164	1.1
159.09007	1.0
166.04979	1.2
171.06494	28.1
176.98926	2.2
177.00737	0.9
189.20554	1.0
219.01726	1.0
253.78204	1.0
255.38107	0.9
270.72659	0.9
305.77747	1.1
333.11484	100.0
333.15170	31.3
334.11975	4.9
334.15323	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43239	1.0
57.48266	0.9
65.03939	1.4
67.05499	3.8
69.07045	1.2
74.06062	2.4
79.05464	1.2
81.07043	3.1
81.99032	1.0
85.06519	1.3
89.66688	0.9
91.05432	2.3
92.05003	2.0
93.07042	2.7
95.04961	1.7
95.08569	2.4
97.02854	1.0
98.98446	15.2
105.06997	2.8
107.08601	2.6
109.06491	1.1
109.10128	2.1
119.08571	1.2
119.26375	1.1
122.06013	1.6
123.08031	1.8
129.07040	1.0
131.08530	1.2
133.10106	2.5
136.07533	3.0
137.05972	1.0
145.10042	1.6
151.11119	1.1
157.10106	1.5
159.11633	1.2
166.04964	1.8
167.07233	2.0
169.08852	1.5
170.09630	1.6
176.98907	2.9
182.09633	2.4
183.06769	1.1
183.09190	1.9
184.09866	2.5
184.11348	1.5
190.03235	1.1
197.06992	1.8
197.08540	1.5
198.07700	1.7
198.09276	1.8
199.12297	4.0
210.09132	6.7
211.08665	3.2
212.09387	5.6
212.10931	2.6
213.10143	2.9
223.08698	1.0
224.01291	1.1
226.07237	1.8
227.11737	22.8
237.10344	1.6
239.08044	2.5
240.08896	10.8
241.09706	15.1
246.09135	1.8
255.11237	100.0
256.11560	7.5
257.12857	4.0
261.07474	3.7
270.09076	4.6
273.12167	1.2
283.10730	15.4
284.11090	1.4
288.10083	4.7
301.11765	52.3
302.12015	2.9
333.12726	2.0
333.20682	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	333.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25554	0.7
85.02893	0.3
86.09730	0.3
98.98459	3.2
107.04953	0.6
108.04460	0.4
108.05232	0.7
125.07097	0.4
134.06033	0.3
137.02322	0.4
149.02342	1.0
150.02670	0.6
153.05446	0.4
169.07597	0.9
171.09904	1.9
181.04932	0.7
182.05333	0.6
197.07016	1.5
227.08162	0.3
243.07671	0.8
266.26584	0.3
269.09146	0.4
273.08722	0.7
273.11960	0.5
297.08621	0.5
299.04224	0.3
315.09967	1.7
315.13297	0.6
333.15118	100.0
334.15610	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	333.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
53.51933	1.5
55.01872	2.0
56.96556	25.0
57.03434	4.7
58.89053	1.6
60.04514	2.5
61.02928	10.3
62.97779	1.9
65.72618	1.8
66.11371	1.8
69.03425	20.0
70.06580	2.1
70.98118	4.2
71.04970	2.7
73.02922	2.4
79.05494	3.1
81.03412	7.4
81.07047	4.7
84.08173	3.0
84.45423	1.6
84.96046	4.1
85.02896	100.0
86.03251	3.3
86.09680	1.9
87.04472	1.8
91.03946	3.9
91.05473	24.5
93.07005	2.2
95.04954	5.3
97.02883	31.4
97.10690	1.8
98.41853	1.9
98.97565	28.5
98.98460	17.5
99.04459	4.1
106.06483	1.9
108.08131	4.9
109.02860	8.2
110.97575	6.4
116.98621	13.2
118.06541	15.2
119.04930	7.5
127.00674	3.8
127.03895	26.2
128.98596	5.3
134.06052	2.1
134.99661	2.4
136.07561	33.2
137.05988	3.3
138.09122	1.7
143.00131	2.0
145.01738	3.8
145.04942	31.2
146.33371	1.6
146.54512	1.7
146.99619	4.1
152.07118	2.7
152.98604	2.2
154.08595	18.7
158.99631	9.1
163.06027	7.8
165.00700	2.2
166.08606	2.3
170.99629	11.0
173.01212	4.1
176.99118	3.4
177.00713	9.9
178.08629	8.0
189.00682	14.0
190.98691	3.0
191.02296	2.8
196.09744	6.5
196.69640	1.8
207.01773	5.8
213.00749	7.7
219.01813	9.1
231.01820	3.3
232.96402	3.1
237.02798	13.0
255.01854	2.6
261.02756	2.9
264.25928	1.9
280.11780	4.0
298.12784	19.8
315.03516	3.4
316.13873	18.9
333.05197	16.6
333.11362	36.9
333.14963	8.7
334.12616	5.4
351.05798	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	333.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00261	0.4
55.01878	0.4
55.05487	1.6
57.07064	1.0
61.61220	0.3
62.16307	0.3
67.05474	0.5
69.06759	0.4
69.07063	3.9
70.06582	2.8
71.20103	0.4
72.08129	0.4
79.05470	1.6
81.07036	0.8
83.01328	1.4
83.08582	0.6
88.07609	1.2
91.17625	0.4
95.04906	0.5
95.08583	0.6
97.10144	0.6
98.98445	3.3
102.09203	0.6
105.04466	0.3
107.04938	3.7
120.70279	0.3
123.11695	1.2
131.04916	1.7
132.10196	0.9
135.04393	9.8
137.02299	0.6
143.21687	0.4
145.02795	0.3
145.06453	0.5
146.11742	0.5
149.05942	1.1
151.03867	1.2
159.04410	0.7
161.05959	0.4
163.03876	12.8
173.05888	0.4
173.32129	0.3
175.03877	0.9
176.98920	0.3
177.05408	0.9
179.03345	0.5
187.45728	0.4
191.03362	100.0
192.03705	3.3
193.04985	1.7
203.03358	0.4
203.07022	0.4
205.04945	12.7
206.05196	0.4
217.04936	1.2
219.06505	4.6
228.23125	2.2
229.03276	0.4
231.06517	1.1
232.05983	0.4
233.08057	3.3
245.08058	1.3
247.09639	3.5
259.09610	5.7
272.25809	4.5
273.11090	1.1
274.11749	0.8
315.15817	8.2
333.16864	4.4
333.20432	0.7
334.29449	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	333.1694
Annotation	Gibberellin A4
Peak:m/z	Relative Intensity
55.05512	1.5
59.81033	0.6
70.55573	0.9
77.39983	0.6
81.07033	1.1
91.05466	1.1
93.07038	1.4
98.98441	0.9
121.06526	3.9
127.71897	0.6
131.04903	2.5
134.03593	1.6
149.05971	2.5
159.04417	1.2
162.03102	6.9
162.04298	0.7
163.07516	0.6
177.05470	2.0
190.02596	16.9
191.03059	1.0
193.04913	1.5
199.03874	1.2
205.04945	100.0
206.05280	3.9
207.06534	0.7
219.06525	10.2
231.06491	1.3
233.07965	3.4
245.08009	1.0
247.09561	1.7
259.09595	2.0
273.11206	1.9
315.15753	4.3
333.16943	16.3
334.17270	1.5
334.29626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1693
Annotation	Gibberellin A4
Peak:m/z	Relative Intensity
55.05509	1.2
57.07070	2.1
61.62694	1.2
69.07056	3.6
70.06592	5.0
79.05469	1.8
81.07045	1.8
83.01325	1.3
88.07622	1.5
91.05436	1.0
98.98448	13.0
100.05195	1.1
107.04948	3.8
107.08605	1.5
131.04912	1.2
132.10199	2.0
135.04407	6.9
143.13600	1.2
146.11729	3.4
163.03870	11.5
168.10205	1.0
177.05421	1.3
184.13689	1.1
191.03365	100.0
192.03728	4.0
205.04935	10.8
217.05080	1.5
219.06528	4.0
228.23219	4.6
231.06491	1.5
233.08138	7.2
247.09647	4.6
259.09662	7.7
272.25665	7.5
315.15881	12.5
333.16818	2.0
333.20422	3.2
333.24149	1.3
334.29498	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85320	0.3
54.89902	0.3
55.05508	2.9
65.89670	0.3
67.01854	0.8
67.05489	1.5
69.07066	2.2
69.19674	1.7
74.64142	0.3
79.05483	1.4
81.07048	4.7
83.08607	0.8
91.05464	1.2
92.80923	0.3
93.07026	1.3
94.04183	0.4
95.04935	0.3
95.08594	1.3
97.10140	2.6
98.98476	1.9
105.07008	1.0
107.04944	2.0
107.08566	1.1
109.02882	0.3
109.06509	1.7
109.10139	2.8
111.04419	0.4
119.04897	0.3
119.08625	0.3
121.10120	1.1
122.03616	1.5
123.11650	1.8
128.06194	0.3
133.06474	0.5
135.04402	0.7
135.11665	1.6
137.05949	2.2
147.04364	1.5
149.02287	0.9
150.03107	2.3
153.05455	0.4
157.06364	0.4
161.05965	2.8
163.03937	0.5
163.07587	0.5
163.54851	0.3
165.05452	100.0
166.05791	3.0
167.07031	1.7
167.08295	0.3
171.07986	0.5
173.05943	0.4
175.03888	2.6
175.07538	0.6
176.04648	0.8
177.05399	1.8
179.07025	2.8
185.09610	0.4
189.05432	1.5
189.09135	0.6
190.06235	0.7
191.03340	0.9
191.06987	2.6
193.04942	23.9
193.08591	0.9
194.05353	0.6
195.06493	0.7
198.06560	0.3
199.07591	0.7
203.07027	0.9
203.10616	1.0
205.04956	1.0
205.08603	2.2
207.06480	1.2
207.10129	0.7
211.05984	36.7
212.06357	1.1
213.09087	0.9
217.04906	0.5
217.08553	0.7
219.06352	0.6
219.10072	0.7
220.03632	3.5
223.06024	0.8
225.07504	0.5
230.09207	0.3
231.10121	3.6
235.05975	16.6
236.06479	0.6
237.07574	0.6
245.08295	0.3
245.11626	1.5
249.07500	2.0
251.09172	0.9
255.13832	0.3
259.09558	1.1
277.10690	1.7
287.16376	17.7
288.16739	1.1
301.14288	1.2
315.15863	1.9
333.16888	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	333.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61703	0.5
55.05493	1.2
56.96559	33.9
57.03416	1.4
57.07056	0.9
58.06597	0.6
58.67078	0.5
65.03920	0.6
67.05473	2.5
69.07062	1.0
69.18172	1.8
69.18575	1.4
71.08601	0.5
71.95244	2.0
72.04461	0.6
72.96035	1.3
74.06071	0.6
79.05479	2.1
81.07047	3.1
84.96017	1.3
88.07619	1.4
91.05476	2.6
92.98620	0.8
93.07018	3.0
95.04958	0.9
95.08588	2.8
96.58685	0.5
97.06509	0.7
97.96803	6.7
98.23515	1.0
98.97558	1.6
98.98446	2.0
105.00137	0.8
105.07011	3.6
106.72505	0.6
107.08566	1.5
109.06485	1.2
109.10115	1.2
110.97552	12.3
110.98296	1.0
115.97803	4.4
116.98553	0.7
119.08562	1.1
121.10112	0.8
123.01185	1.4
124.99102	0.7
128.98586	20.2
131.00078	1.2
131.08562	0.7
133.10152	1.5
133.98869	2.3
137.02675	1.7
140.98431	1.4
143.00101	2.3
145.01671	0.7
146.99626	14.1
147.11676	0.6
148.00421	0.6
149.01219	0.6
149.13231	0.7
151.00641	0.6
152.00113	0.9
155.03740	1.2
161.01186	2.8
165.00743	1.4
165.12706	3.7
166.99982	1.2
169.01675	1.1
170.01151	0.7
171.03255	1.7
174.99104	0.6
175.02762	1.8
175.06238	0.6
176.03616	1.0
179.02240	1.5
181.05342	0.7
182.15338	0.7
185.03035	0.5
185.04854	1.8
189.00546	0.6
189.04315	2.2
190.05098	2.4
191.03764	1.0
191.05843	0.9
193.05305	0.7
195.06950	0.8
199.06339	0.9
201.04201	0.8
203.02066	1.0
203.05901	2.3
204.06775	1.2
208.06201	1.2
213.07898	0.7
215.05991	0.6
217.07404	0.8
221.08496	0.6
226.08772	0.7
227.09622	1.6
233.08459	0.7
236.19907	0.8
241.11111	1.5
245.10617	0.9
252.10365	0.7
255.12645	1.0
259.12167	1.1
263.09488	4.7
264.10287	1.4
265.11050	1.1
275.09412	0.7
277.11105	1.9
282.11340	0.8
283.12292	0.9
289.10913	0.9
289.21570	0.8
303.12564	3.3
313.14496	1.0
315.16238	64.5
316.16556	3.7
317.14090	0.8
321.13681	0.7
331.15695	3.9
332.31546	1.8
333.17282	100.0
333.24072	3.8
334.17615	5.1
334.27304	1.8
351.18369	16.3
356.18951	10.7
357.19266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79392	0.9
56.96561	61.0
57.07058	1.0
57.29353	0.9
58.06593	8.1
59.45594	0.9
69.23457	1.0
70.06602	1.5
71.95247	3.2
72.96033	1.4
74.97604	2.0
81.07059	1.7
84.96041	1.3
89.07924	1.0
91.04943	1.1
91.05479	14.5
92.05782	1.1
92.98625	1.7
97.96793	3.3
98.22594	2.0
98.98444	4.2
105.00157	2.3
110.97557	6.8
115.97832	1.9
116.98617	1.4
123.01164	3.6
128.98592	9.6
129.02243	2.0
133.98808	1.6
135.03284	1.0
137.02715	3.3
141.02243	2.0
143.00127	1.4
146.99655	7.3
147.03284	3.4
151.04277	1.9
153.02214	1.1
155.03804	2.4
157.01711	2.1
159.03279	1.5
161.01210	2.1
161.04813	1.2
163.99690	1.1
169.05215	2.1
171.03235	2.1
177.05873	1.6
179.05965	1.0
183.03224	1.1
185.04707	1.7
187.06450	1.7
189.04279	1.8
194.04776	1.1
195.06906	1.9
203.05908	1.6
205.05202	1.4
213.07916	2.4
221.08585	1.2
223.09962	1.0
227.09486	2.2
233.82280	1.1
239.09511	5.2
240.26814	2.6
241.11050	2.5
241.19308	1.4
253.11185	3.0
257.10544	3.9
259.12244	2.5
261.11710	2.8
263.13147	1.8
267.12662	2.7
271.12195	1.8
274.11658	1.4
275.13116	4.6
275.16187	1.0
277.11102	1.7
279.12686	12.9
281.11169	1.2
281.14227	4.4
291.12589	6.2
293.14175	14.2
297.13663	15.7
303.16162	1.2
309.13718	3.2
311.15256	3.1
315.15796	4.6
316.15701	1.5
320.15143	1.3
321.17319	1.8
332.33603	10.6
333.17307	100.0
333.33521	6.3
334.17770	4.7
348.48431	1.1
351.18396	44.4
352.18710	3.6
356.18686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1903
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03943	1.6
55.05499	4.3
57.03418	3.7
57.07045	1.6
59.04997	2.9
61.02905	5.0
67.05486	3.4
69.03422	12.2
69.07049	4.1
69.58824	6.4
71.04978	31.0
72.08135	4.0
73.06538	5.1
76.12543	1.3
79.05485	7.2
81.03405	4.8
81.07043	35.6
82.06584	1.7
83.98898	1.4
84.04483	5.3
85.02890	37.8
85.06519	3.3
86.09711	1.5
91.03915	2.1
91.05460	3.3
93.07029	24.6
95.04950	1.8
95.08591	5.0
97.02874	10.6
97.06530	3.0
98.23471	2.7
98.98447	14.0
99.04439	2.6
105.07060	2.2
107.08578	16.8
109.02882	1.8
109.10149	5.7
110.09674	7.0
111.08078	2.1
118.06554	1.4
123.04377	1.5
123.11693	9.2
127.03902	5.8
127.11175	3.2
131.08615	1.9
135.11678	32.8
137.06006	1.5
138.09129	8.6
141.12720	54.7
145.04932	7.1
152.25615	2.0
153.12718	100.0
154.13043	2.9
156.10115	3.4
163.03819	1.6
171.13768	43.8
174.11230	9.1
176.99019	2.4
191.03360	1.7
247.90428	1.6
297.17859	5.7
304.44016	1.6
331.65237	1.5
333.20074	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	333.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05499	4.3
57.03418	3.7
57.07045	1.6
59.04997	2.9
61.02905	5.0
67.05486	3.4
69.03422	12.2
69.07049	4.1
69.58824	6.4
71.04978	31.0
72.08135	4.0
73.06538	5.1
76.12543	1.3
79.05485	7.2
81.03405	4.8
81.07043	35.6
82.06584	1.7
83.98898	1.4
84.04483	5.3
85.02890	37.8
85.06519	3.3
86.09711	1.5
91.03915	2.1
91.05460	3.3
93.07029	24.6
95.04950	1.8
95.08591	5.0
97.02874	10.6
97.06530	3.0
98.23471	2.7
98.98447	14.0
99.04439	2.6
105.07060	2.2
107.08578	16.8
109.02882	1.8
109.10149	5.7
110.09674	7.0
111.08078	2.1
118.06554	1.4
123.04377	1.5
123.11693	9.2
127.03902	5.8
127.11175	3.2
131.08615	1.9
135.11678	32.8
137.06006	1.5
138.09129	8.6
141.12720	54.7
145.04932	7.1
152.25615	2.0
153.12718	100.0
154.13043	2.9
156.10115	3.4
163.03819	1.6
171.13768	43.8
174.11230	9.1
176.99019	2.4
191.03360	1.7
247.90428	1.6
297.17859	5.7
304.44016	1.6
331.65237	1.5
333.20074	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	333.1906
Annotation	p-Menth-1-ene-3,4-diol 4-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03928	6.5
55.01863	3.6
55.05502	5.1
57.03427	9.1
57.07071	26.6
59.04984	5.7
61.02919	12.1
64.78075	1.9
65.03937	2.3
67.05503	12.7
69.03423	44.4
69.06708	2.3
69.07059	24.4
71.04984	40.2
71.44240	2.1
73.02914	4.4
73.69952	1.9
78.47456	1.9
79.05479	6.5
79.90966	1.7
81.03414	15.6
81.07047	18.2
83.04955	3.8
83.08618	9.0
84.08088	1.6
85.02893	88.8
85.06528	23.8
86.03245	2.0
87.04447	5.9
91.03947	5.7
91.05466	8.4
93.07018	10.1
95.04969	5.1
95.08592	13.7
97.02880	32.9
97.06505	9.5
98.98457	38.2
99.04425	7.0
100.98885	2.0
101.09638	12.3
105.06309	1.5
105.06969	10.4
107.04914	2.9
107.08575	12.2
109.02864	12.2
109.06541	3.5
109.09520	1.9
109.10129	9.8
109.35281	1.7
111.08047	6.0
111.11712	11.2
115.03873	2.6
115.07617	2.5
116.08169	1.9
117.06989	2.9
119.08569	8.7
121.06512	2.9
121.10133	5.6
123.08057	4.9
127.03908	18.8
127.11176	42.8
129.06953	3.1
131.08537	4.8
133.10121	5.8
135.08063	2.3
135.11697	11.4
137.05975	4.3
137.09634	3.4
138.06316	1.9
145.04929	15.3
145.06021	2.9
145.06366	2.3
145.10086	5.7
147.11635	2.5
149.06042	1.9
151.07504	4.1
151.11212	2.0
153.12724	17.4
155.08551	2.6
157.10092	5.1
159.11681	2.3
161.09602	5.3
166.05005	2.8
171.13782	100.0
176.98918	4.0
177.09067	2.0
241.09767	2.1
259.10629	2.0
277.10684	2.8
287.10153	3.6
314.26974	2.3
315.09564	2.5
315.19397	2.3
315.27118	2.3
327.88626	2.4
333.10995	2.9
333.20657	2.3
333.28000	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73348	0.5
59.35957	0.5
68.44583	0.5
70.06594	0.6
70.16079	1.1
79.05502	0.7
81.07031	0.8
82.74728	0.6
86.06084	0.8
88.07619	2.3
91.05476	0.7
95.08582	0.8
98.98451	4.9
105.07024	1.5
105.28899	0.7
109.45241	0.5
109.88568	0.5
125.28461	0.5
131.59116	0.5
131.60143	0.5
132.10214	0.6
133.10103	1.5
152.66571	0.5
176.98949	0.6
195.09920	1.8
233.89781	0.6
242.24696	1.7
252.35814	0.6
286.27371	0.8
333.16837	5.8
333.20294	100.0
334.17007	0.7
334.20578	7.9
334.29471	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	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	0.7
60.59512	0.7
62.39229	0.7
69.69736	2.2
69.70075	1.2
98.98420	1.2
111.28556	0.9
113.90471	0.8
149.17036	0.7
167.43593	0.8
195.09921	1.2
242.24506	1.0
274.70810	0.9
333.20300	100.0
334.20676	7.4
334.29401	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65899	0.8
52.56063	0.7
55.05500	1.4
57.07059	1.2
57.75027	0.8
67.05489	1.8
69.07050	1.7
71.08601	1.3
72.04517	2.5
73.76639	0.8
79.05483	3.2
80.19965	0.8
81.07037	2.1
91.05464	3.2
93.07020	3.9
95.08578	2.3
97.11463	1.1
98.98439	6.7
105.07020	6.7
107.08608	2.2
109.10146	1.4
114.16862	1.0
119.08553	3.6
121.10156	1.5
131.08540	1.3
133.10132	2.2
135.11671	1.9
145.10022	1.1
157.10097	1.3
159.11713	1.4
161.13252	1.5
165.12804	2.8
173.13261	1.0
193.04938	2.0
236.20233	1.1
241.19507	1.3
250.84613	1.1
259.20377	1.4
274.11688	1.2
333.16821	5.2
333.20294	100.0
333.23938	5.4
334.20709	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	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56711	0.5
56.05011	0.8
57.07063	1.3
58.06578	1.8
60.04495	0.7
60.14925	0.5
61.82324	0.4
61.90538	0.5
62.97564	0.5
64.28632	0.5
66.64187	0.5
69.07018	0.5
69.56577	1.4
69.56985	1.0
70.06564	0.6
72.08153	0.6
74.06091	0.6
75.77711	0.5
78.22353	0.5
79.05483	0.5
86.06043	1.4
88.07616	8.6
98.98441	2.2
104.07085	0.8
132.10194	1.7
166.10890	0.5
242.24777	5.1
263.12436	0.6
286.27390	1.5
315.18948	0.7
333.20306	100.0
333.31525	1.9
334.20691	5.9
334.29449	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	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.9
58.06592	1.0
60.28199	0.6
66.86190	0.6
70.15735	0.9
70.16055	1.1
71.73502	0.6
85.71987	0.8
86.06046	0.9
88.07620	6.4
98.98440	1.9
105.07018	0.7
111.73968	0.6
132.10191	1.6
137.42516	0.7
155.36639	0.7
156.41803	0.6
159.41158	0.6
168.87250	0.7
192.92938	0.5
205.42525	0.7
217.15408	0.7
242.24751	5.4
247.13020	3.3
286.27353	1.3
315.19275	7.5
333.20297	100.0
334.20712	6.6
334.29446	14.5
350.67502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90182	0.6
56.84569	0.6
57.07069	0.8
67.05495	0.8
69.07072	0.7
69.68673	1.6
69.68998	0.6
72.04508	1.7
79.05508	0.9
79.12482	0.6
81.07050	1.5
88.07607	0.7
91.05437	0.8
93.07062	1.3
95.08594	1.8
97.58669	0.5
98.22755	1.2
98.98493	3.1
100.52422	0.6
105.07055	0.9
107.08564	1.1
109.10162	0.6
114.53976	0.5
119.08569	1.0
119.80754	0.6
121.06499	0.9
133.10042	0.6
163.14688	0.7
165.12762	1.7
182.15474	0.6
190.02650	0.7
191.07138	0.6
205.04956	2.0
324.25146	0.7
332.34229	3.2
333.20340	100.0
333.34650	2.3
334.20813	6.8
334.27554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	PGB3
Peak:m/z	Relative Intensity
55.05506	2.7
57.07041	3.7
67.05494	5.2
69.23088	14.1
74.52864	2.4
79.05481	5.5
79.80204	2.5
81.07063	7.3
91.05471	6.8
93.07012	2.6
95.08593	3.5
98.98470	18.6
105.07034	2.9
121.10066	5.0
133.10066	3.3
248.96945	2.9
264.91681	2.4
279.28857	2.9
279.49045	2.8
293.39935	3.2
315.19278	38.9
332.27347	2.6
332.34308	6.1
333.14578	24.2
333.20328	100.0
333.24036	6.5
333.34790	4.8
334.20840	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	333.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60331	3.4
53.98020	4.0
55.05500	8.8
57.07049	8.3
58.06587	8.4
58.62653	3.5
59.05000	5.1
60.04514	22.2
67.05497	9.8
69.03439	7.0
69.07069	4.8
71.04993	11.1
79.05487	17.1
81.07035	26.5
82.68620	4.1
83.04967	4.8
83.08598	6.3
88.76325	3.9
91.05471	17.7
93.07027	11.4
95.04951	33.6
95.08609	9.4
97.06501	7.4
98.97614	3.4
98.97764	4.2
98.98458	46.3
105.07034	14.8
107.08566	42.4
109.06502	35.2
109.10140	7.0
111.04455	4.9
119.08585	4.7
123.08053	15.7
125.09619	10.6
133.10104	6.8
135.08044	31.7
137.02303	4.4
145.10150	4.2
151.07503	11.0
153.09123	9.7
157.10080	4.2
166.04976	5.9
176.98869	10.0
189.12663	4.4
218.19055	5.3
274.11710	8.1
302.06851	4.1
315.19092	18.9
316.28418	5.6
333.16769	6.3
333.20285	100.0
334.29407	9.8
356.18735	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	333.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22334	1.3
57.07071	10.7
59.04984	5.9
66.15252	1.5
67.05509	2.0
69.38396	1.9
69.38734	6.9
70.92650	1.4
71.08632	8.5
72.04500	5.0
85.10162	7.1
86.97571	1.5
89.06017	10.7
91.05454	3.3
95.08574	3.5
98.98462	3.7
109.06538	1.7
151.09671	4.5
165.12727	6.5
249.10725	2.2
259.48126	1.5
331.07727	1.7
333.17310	2.6
333.23959	100.0
334.24323	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	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03436	1.7
57.06265	0.9
61.02926	3.1
69.03423	6.1
70.48111	1.0
70.48450	1.2
73.02908	1.5
81.03397	3.2
85.02901	26.4
91.03965	2.2
91.05476	12.7
91.25671	1.1
97.02889	7.3
98.97588	1.3
99.04485	1.1
109.02830	1.5
109.06507	1.1
111.56721	0.9
116.98605	1.3
119.04938	8.0
127.03912	3.6
129.06989	1.2
137.05963	100.0
138.06281	2.4
140.73370	1.1
145.04921	6.3
151.07513	1.1
155.06961	5.1
157.06450	2.1
175.07381	1.0
177.00728	1.3
177.99216	1.0
179.07037	1.9
180.08705	2.8
263.08945	1.8
279.94806	0.9
287.84695	1.2
305.10361	1.1
312.24591	1.0
312.28802	1.2
334.09167	1.3
334.12622	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01854	1.3
55.84040	1.0
57.03421	2.0
60.04520	1.3
61.02913	3.4
69.03433	6.1
70.02373	1.6
70.02692	1.5
72.84286	0.9
73.02934	1.3
81.03406	3.3
81.78580	0.8
85.02894	29.1
91.03924	1.7
91.05460	10.8
93.47990	1.0
97.02873	7.9
99.04393	1.1
106.19759	0.9
109.02896	2.0
119.04948	6.4
121.06702	1.0
127.03895	4.6
132.39069	0.9
137.05957	100.0
138.06290	2.0
138.09155	1.1
145.04951	9.6
146.89986	1.1
155.06987	7.0
156.10182	2.3
163.06133	1.2
179.07039	2.1
180.08662	4.8
203.06943	1.0
334.09067	1.3
334.12845	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01866	6.0
55.05508	18.3
57.03429	16.0
57.07068	7.7
60.04710	1.1
65.03934	2.2
67.05497	65.5
69.03412	2.0
69.07061	18.2
69.73174	3.8
69.73550	2.5
71.04979	2.3
71.08630	11.4
72.04509	76.4
79.05037	2.6
79.05481	32.7
79.05940	1.7
81.07047	59.0
83.04935	2.5
83.08595	5.8
85.06530	4.1
88.07638	1.4
91.05473	22.3
93.07030	43.3
95.04955	23.7
95.08594	51.7
97.06511	5.6
97.10165	3.0
98.98383	1.6
99.08088	6.5
100.07623	2.0
105.04498	3.1
105.07010	16.1
107.08585	26.0
109.06526	20.7
109.10142	17.6
111.08050	1.3
114.09152	16.4
117.07005	4.0
119.08575	9.2
121.06491	3.4
121.10123	13.2
123.08055	2.0
123.11692	4.1
128.10690	8.7
131.08545	9.3
133.10120	13.2
135.08034	2.9
135.11665	6.2
137.09572	2.0
140.10664	2.5
142.12271	3.0
145.10088	4.7
147.11664	5.5
149.09662	2.0
149.13222	4.7
151.14746	2.0
154.12231	3.0
156.13809	2.0
159.11661	4.0
161.13263	2.1
163.11189	2.3
163.14804	2.0
165.12737	100.0
166.13104	3.7
168.13689	1.3
173.13249	9.1
175.11171	4.9
179.14244	2.2
180.13812	3.7
182.15385	15.4
184.13347	2.4
187.14809	2.5
191.14264	8.4
194.15430	1.5
201.12744	3.2
206.24789	1.2
212.16475	10.2
220.16899	11.9
229.19479	3.7
236.20055	39.2
237.20410	1.7
243.21031	1.6
253.19388	1.8
261.22043	1.4
263.82440	1.2
264.69998	1.3
271.20557	6.7
289.21579	8.1
295.85638	1.4
316.26413	6.3
334.27304	39.8
335.21820	10.4
335.25754	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29361	1.1
54.84893	0.9
55.05495	4.9
56.05014	4.2
57.07059	3.3
58.06573	1.5
60.04517	100.0
63.27913	1.0
64.70894	1.0
67.05183	1.4
67.05497	9.2
68.05031	1.1
69.07057	6.1
69.16894	6.2
70.06584	2.9
71.08598	1.4
72.04499	3.2
74.06055	3.2
75.20798	1.0
79.05478	4.1
80.05009	1.0
81.03414	1.0
81.07045	11.0
82.06552	1.5
83.05000	1.2
83.08606	4.1
83.55409	0.9
84.08103	1.3
88.07629	1.8
91.05466	2.2
93.07025	5.1
95.04948	1.5
95.08598	12.5
97.10146	2.3
98.98442	1.2
102.05447	1.2
105.07020	1.8
107.08542	2.7
109.06526	1.2
109.10142	5.4
116.07010	1.6
120.10173	1.9
121.10067	1.5
132.10185	1.6
135.11655	1.7
137.02319	2.7
146.11797	1.4
146.32205	1.0
166.05002	3.2
262.25119	1.6
272.25806	4.8
280.26282	7.4
298.27368	15.1
299.27606	1.4
316.28403	39.2
317.28677	1.7
334.20602	1.6
334.25024	1.3
334.29437	40.6
335.21655	1.7
335.25430	2.4
335.29758	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	44.8
70.98126	3.4
71.40575	2.7
76.82462	2.5
84.04515	2.6
88.99175	3.5
97.02882	9.1
98.97581	24.6
98.98422	3.7
101.00861	17.0
110.07118	3.0
110.97558	3.3
113.00872	3.1
116.87199	2.4
116.98610	11.8
119.01902	24.7
123.05566	14.9
128.98593	5.6
129.02234	12.8
129.05130	2.7
131.01906	14.8
131.05540	7.4
133.03424	3.3
134.99594	4.2
141.72331	2.3
143.01888	64.1
144.01971	4.4
145.03455	6.3
146.99606	7.7
147.03275	11.0
149.06522	3.7
155.00093	18.0
155.01859	21.0
157.03462	3.2
159.05038	5.3
161.02936	63.2
162.03101	3.1
165.00751	3.1
172.97539	7.3
173.01227	100.0
173.02911	18.0
173.06563	15.4
174.01660	3.3
176.97415	2.9
177.00844	6.5
185.02951	6.6
185.06555	18.2
190.98668	16.2
191.02248	96.3
191.07591	5.1
192.96675	4.6
194.98419	3.9
196.02863	3.0
199.08081	3.3
203.03966	7.1
203.07632	9.3
205.00204	3.6
208.99715	3.2
209.03293	5.8
212.93295	4.7
215.02238	64.1
215.05508	3.6
215.07655	9.5
216.98724	3.1
218.98044	4.1
219.01808	4.4
221.04955	18.2
227.02299	3.8
230.11667	13.3
230.94185	7.2
232.99681	10.9
233.03241	25.2
234.99818	3.7
237.02864	8.7
245.03336	9.0
251.00798	6.5
257.03577	4.2
275.04532	9.2
275.09692	24.7
276.12323	9.3
287.06168	4.8
292.98474	3.8
293.01883	4.6
293.05481	3.5
293.10767	54.7
294.10855	2.6
310.96790	10.2
312.07712	7.4
317.07111	7.6
328.97586	4.5
335.07120	27.5
335.11792	33.1
335.15775	4.6
336.10590	25.9
353.05658	4.4
354.05634	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1123
Annotation	Melampodin B
Peak:m/z	Relative Intensity
53.03931	0.6
55.01862	1.1
55.05494	1.2
63.54691	0.4
65.44151	0.4
67.05486	2.4
68.99775	0.7
69.03410	1.9
69.07056	0.7
69.67961	0.6
69.68313	1.3
71.04969	1.7
79.05476	1.2
81.03407	0.9
81.07030	1.7
83.01318	1.1
83.04919	0.5
83.08627	0.5
85.06503	0.8
86.89928	0.5
91.05474	1.3
91.90730	0.4
93.07034	2.9
94.06557	0.7
95.04941	1.4
95.08577	1.6
97.02880	0.4
97.06511	1.1
99.04443	0.5
100.11251	0.8
102.41434	0.5
103.05474	0.7
105.07002	1.7
106.63837	0.5
107.04922	0.8
107.08584	2.0
109.02877	0.9
109.06499	0.8
109.10133	1.9
113.05969	1.3
117.06983	0.4
119.08549	1.1
121.06500	3.9
121.10101	1.1
122.06025	2.4
127.03907	0.6
127.07546	1.2
131.04903	1.6
131.08588	0.5
133.02834	1.0
133.10074	0.7
134.03630	0.5
135.08031	0.5
135.11641	0.8
136.07562	10.2
137.05960	1.1
137.09622	0.6
143.08473	0.6
145.08562	3.2
145.10051	0.6
147.04404	0.8
149.02353	0.5
149.05951	2.1
149.09584	0.6
155.08533	1.0
159.04460	0.6
161.05943	1.3
161.09703	0.5
162.03107	5.7
163.03845	0.5
163.11145	0.8
164.04892	0.6
164.07040	15.9
165.05217	0.4
165.09114	0.5
169.06528	0.5
170.48682	0.4
175.07495	0.6
177.05452	2.4
182.08112	9.6
183.08215	0.9
187.07526	0.5
187.11102	0.6
187.25552	0.4
189.05518	0.7
190.02589	15.1
192.04196	0.5
193.04948	6.7
194.06944	0.4
197.06033	0.5
201.21729	0.4
203.07098	0.6
205.04932	100.0
206.05304	3.5
211.07486	1.4
214.06264	0.5
217.04938	1.1
219.02841	0.6
219.06470	1.3
221.04277	0.7
225.05385	3.1
229.05006	2.3
229.08588	0.7
233.04411	0.5
233.07970	0.9
237.03862	0.5
242.05724	0.7
243.06497	1.7
243.10089	0.5
245.08105	0.5
247.09624	4.1
256.07242	0.7
257.07959	3.2
258.23706	0.4
271.09610	15.1
273.11252	1.5
275.09082	20.9
276.09476	1.1
281.08057	1.5
289.10703	6.8
299.09103	13.8
300.09274	0.7
303.10126	0.5
309.12988	0.4
317.10156	33.3
318.10431	1.6
335.22501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45528	0.9
56.96549	4.0
58.33403	0.9
59.25131	0.8
65.49267	1.0
70.06571	1.2
70.80676	1.0
72.41668	0.9
79.18238	0.9
79.68373	0.9
82.99849	2.5
85.02917	1.1
89.38248	1.0
94.99834	1.0
97.02875	1.4
98.97562	3.1
98.98443	2.2
101.00865	24.1
113.00822	7.6
115.02424	4.0
116.98589	1.8
119.01906	33.1
120.02014	1.4
121.19478	1.1
123.05540	3.3
127.02399	2.1
129.03917	1.7
131.01886	19.7
131.05525	7.3
132.01990	1.3
133.03459	3.1
137.00761	1.9
137.02916	2.4
143.01872	88.5
144.01945	5.0
145.03433	8.9
147.01358	1.0
147.05013	2.6
149.06581	10.2
155.00099	2.1
155.01871	26.9
155.05539	3.4
156.02635	2.3
156.10168	1.5
157.03438	2.8
159.05045	3.6
160.44289	1.2
161.02931	100.0
162.03021	4.8
163.04578	1.0
167.05542	1.3
169.07082	2.1
171.04996	2.5
173.01270	6.1
173.02960	21.8
173.06558	28.9
174.03186	1.1
174.06845	1.5
175.04594	1.3
175.11787	1.0
177.06119	2.5
184.04591	2.1
185.03003	3.2
185.06561	30.3
186.06805	1.6
187.08147	5.0
190.98619	1.3
191.02272	7.0
191.07570	6.5
197.06580	2.8
199.08118	1.9
203.03999	9.9
203.07611	14.6
204.07779	1.0
209.06633	1.4
215.02248	4.7
215.07602	15.9
216.07932	1.2
217.09239	1.0
219.07141	1.3
221.05009	23.2
227.07588	3.8
229.03854	1.1
232.99719	1.0
233.03308	1.9
233.08665	3.5
245.05064	2.2
245.08997	1.1
251.07545	1.0
257.08679	6.2
275.00824	1.5
275.09695	36.7
276.09885	3.0
286.46411	1.6
293.10748	89.3
294.11029	8.5
310.96832	1.1
312.07678	1.4
317.07071	1.3
332.40918	1.0
335.11807	52.2
336.11841	6.0
354.04370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	7.0
69.03440	1.8
69.64790	5.5
77.00897	2.7
82.99830	2.7
84.08125	1.7
85.02902	3.1
97.02874	2.4
98.97588	5.7
98.98478	6.1
101.00862	18.6
109.02902	2.0
113.00861	9.1
115.02445	6.3
116.47054	1.5
116.98621	3.4
119.01904	31.9
123.05561	7.4
127.02463	1.6
129.03963	4.1
129.37514	1.6
130.06541	3.0
131.01881	33.4
131.05524	12.5
133.03450	9.7
137.00856	2.0
137.03003	4.0
137.06052	2.2
143.01883	42.6
143.02957	2.4
144.02014	2.5
145.03433	10.5
147.03300	2.4
147.05052	6.6
149.02931	3.6
149.06592	15.7
155.00090	2.2
155.01869	32.6
155.02997	2.3
156.02740	3.8
157.03499	3.5
158.06679	3.0
159.05090	4.5
161.02936	50.2
161.04192	3.0
162.03101	1.7
163.04607	1.7
167.05612	1.9
171.05025	1.8
173.01268	7.9
173.02997	24.5
173.04161	2.3
173.06575	44.0
173.07843	3.6
174.03110	2.5
174.06752	2.9
175.04648	2.7
175.08170	2.4
177.06097	6.8
185.03014	3.1
185.06561	55.5
186.06781	2.5
187.08162	12.6
191.02280	7.7
191.07640	16.8
197.06555	3.7
199.08203	3.2
201.06131	2.2
203.03949	10.3
203.07600	33.7
205.09329	2.2
209.06607	3.1
209.84288	1.6
212.07196	2.0
215.02307	6.3
215.07590	14.9
217.09270	5.2
219.01898	2.4
221.05019	34.7
222.05272	3.4
227.07593	10.2
233.03302	2.7
233.08670	3.1
237.02872	4.4
245.05289	4.2
245.08543	1.9
257.08817	5.9
263.06158	1.7
270.07147	1.8
275.09708	83.1
276.10031	6.8
293.10779	73.7
294.11118	6.6
300.07730	2.6
304.57239	1.7
312.07764	14.9
335.12854	100.0
336.10834	8.2
336.13962	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	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.1
63.95921	1.0
64.55994	1.5
65.03635	1.2
65.03938	5.0
67.05493	7.0
68.16580	1.2
69.03423	2.2
69.07063	100.0
69.96036	2.9
70.07391	2.3
79.05486	3.3
81.07039	5.9
83.04958	2.2
85.02863	1.6
91.05509	2.0
92.05004	3.4
93.07057	1.9
94.06565	5.2
95.04959	3.4
95.08642	2.2
97.06521	16.5
105.07010	2.1
106.06569	1.5
107.08582	1.6
109.06539	1.8
122.06023	9.8
124.07527	2.4
125.06035	1.6
137.05981	3.8
138.05479	6.5
140.07047	9.2
144.08113	2.7
145.08765	3.5
146.09662	2.2
150.05489	81.5
151.05820	2.6
157.08865	2.9
161.08386	4.0
162.09137	2.8
164.03484	1.6
166.04987	33.7
168.06621	2.0
170.06108	1.4
172.07559	2.3
172.11217	3.6
173.08389	1.4
174.12804	6.4
176.03394	7.4
178.04976	2.2
186.07594	1.7
188.10706	3.1
190.12254	6.1
194.04495	2.9
200.10780	7.4
202.12265	7.7
205.04750	13.0
216.10219	3.7
218.08344	2.5
218.11748	31.5
219.12030	1.6
228.10185	14.4
234.11166	2.0
244.09583	2.3
245.12816	2.6
246.11226	27.2
255.11325	2.2
256.09735	2.0
261.09100	1.3
261.12335	1.3
271.10657	5.2
272.09146	3.7
273.12265	3.5
274.10678	2.3
287.10178	8.0
289.11789	11.8
299.10266	5.4
317.11273	30.4
318.11407	1.9
327.54190	1.4
335.12082	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.6
61.02911	2.3
67.05498	2.3
69.01966	0.6
69.03423	14.1
69.99005	2.1
71.04986	46.3
72.05327	0.8
73.26904	0.6
80.42818	0.7
81.03416	2.8
85.02893	10.5
85.06537	10.1
88.64873	0.7
88.97466	0.8
94.02474	0.9
95.04966	3.8
97.02866	5.2
98.23406	1.0
99.04443	1.3
101.02323	0.6
103.07555	1.2
105.35519	0.7
109.02856	1.7
113.05984	12.1
127.03900	9.5
127.07538	23.9
131.07014	10.5
133.54268	0.7
141.05388	1.7
145.08580	100.0
146.08928	2.6
155.07048	4.0
173.08057	0.8
191.09145	2.0
271.10660	0.9
295.57782	0.7
299.10657	0.8
307.98325	0.7
317.11078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.2
57.03428	1.6
61.02904	1.2
67.05492	4.1
69.03419	10.1
69.07077	0.8
69.42655	0.6
69.42931	3.0
70.06583	1.4
71.04985	47.7
72.08113	0.7
81.03409	5.6
81.07047	1.0
81.71580	0.6
84.08127	1.3
85.02902	9.2
85.06537	12.2
91.05486	0.6
95.04961	4.1
97.02881	6.7
98.23393	0.8
99.04437	2.8
105.06986	0.9
107.08602	0.8
109.02866	4.0
109.10140	0.9
113.05994	9.8
119.08601	0.9
120.08095	1.4
127.03899	8.0
127.07540	25.6
128.07848	1.1
131.07028	8.7
131.08525	1.0
141.05464	1.4
145.04961	2.0
145.08580	100.0
146.08905	2.5
155.07005	3.4
161.09526	0.6
173.08153	1.0
173.13252	2.4
173.21472	0.7
174.05487	6.0
187.05978	1.4
190.04959	2.0
191.09132	0.8
257.10135	0.9
289.11649	0.7
299.10580	1.4
317.11377	2.7
335.10867	1.2
335.15512	1.0
335.19293	1.5
336.17905	0.7
336.37421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97330	0.6
53.03934	1.2
55.01867	1.0
57.03418	1.9
60.06406	0.5
61.02903	2.5
67.05495	3.3
68.66099	0.6
69.03066	1.0
69.03419	15.7
69.07018	0.7
70.26912	1.0
70.27254	1.3
71.04982	53.5
73.70926	0.6
81.03389	3.3
84.08069	0.7
85.02890	9.4
85.06527	10.8
86.09654	0.7
95.04954	3.8
97.02874	5.8
99.04443	1.9
103.07574	1.0
109.02863	1.8
113.05992	12.6
120.08104	1.1
122.79823	0.6
127.03890	8.2
127.07538	25.5
128.07861	0.8
131.07031	11.8
141.05441	2.2
142.59557	0.6
144.56895	0.6
145.08574	100.0
146.06015	0.7
146.08939	1.9
155.07002	2.8
174.05478	10.4
185.08101	0.6
191.09166	1.9
203.11763	0.9
243.11116	0.9
257.09241	1.0
271.10776	1.5
299.10471	1.6
317.11307	6.2
335.12683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01857	1.4
55.05505	3.0
57.03436	1.5
61.02897	1.5
67.05505	4.4
69.03425	12.8
69.07068	2.2
71.04984	46.2
71.43964	1.5
79.05470	2.2
81.03396	6.0
81.07051	4.6
82.48246	1.3
83.04974	2.4
83.08593	1.9
85.02908	6.5
85.06534	11.3
91.05496	3.7
93.07008	5.9
94.11393	1.4
95.04958	5.9
95.08604	4.5
97.02885	7.7
99.04469	2.2
99.08119	1.4
100.11257	5.1
105.07033	4.2
107.08606	4.6
109.02897	3.8
109.06508	2.0
109.10161	4.8
113.05987	9.9
119.08590	2.0
121.06480	2.5
121.10117	2.7
123.08042	1.9
123.11688	1.6
127.03923	5.3
127.07544	27.8
129.07095	1.5
131.07022	8.8
131.08536	2.0
133.06461	1.7
133.10057	2.5
135.08058	2.8
137.05960	3.5
137.09622	1.3
139.11143	1.5
140.63853	1.1
145.04976	2.8
145.08585	100.0
146.08910	1.3
147.11639	1.8
149.06038	1.6
155.07021	2.8
157.06422	1.2
159.04317	1.4
159.11705	1.9
161.05962	1.7
163.07582	1.3
165.09175	2.6
167.10628	1.6
174.70755	1.2
175.07463	1.5
203.10561	1.4
205.04977	2.9
221.04378	1.2
222.40572	1.4
226.19101	2.0
230.05441	2.0
277.08505	1.3
299.19977	1.8
317.21115	2.4
335.11865	4.7
335.21933	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01852	6.3
56.96550	24.0
57.03424	5.9
59.05062	2.6
60.04510	9.1
61.02914	11.0
69.03416	22.2
69.38226	10.1
70.06556	4.5
71.04975	4.6
73.02885	6.5
79.05477	17.3
81.03396	8.7
84.04475	7.6
85.02888	100.0
86.03210	2.9
91.03918	5.6
91.05430	2.7
93.07039	15.4
95.08582	8.4
96.04462	2.9
96.08112	8.5
97.02878	33.6
98.06017	2.6
98.96996	2.3
98.97558	15.8
98.98443	7.1
99.04429	6.6
109.02863	11.2
110.06001	2.6
110.08195	2.2
110.97539	2.4
111.08032	3.3
115.03897	6.7
116.98587	5.1
120.08067	9.2
121.06475	10.5
123.05524	11.7
127.03918	19.8
129.02199	6.6
130.06543	4.4
136.07510	4.1
138.09097	28.5
139.07504	3.9
144.06506	3.4
145.04926	27.1
146.99605	4.6
147.03252	6.1
155.00124	10.7
156.10179	97.2
156.44797	2.4
162.09134	12.5
162.10252	2.4
163.03929	4.2
163.06000	3.3
173.01205	43.3
177.00638	5.0
180.10159	17.0
185.06554	3.3
188.03284	2.8
191.02255	55.2
192.02806	2.7
198.11232	29.0
214.67754	2.4
215.02234	34.0
219.01759	2.5
221.02885	8.3
230.11754	7.8
233.03319	16.4
245.03093	2.8
260.09204	6.7
263.03989	3.0
275.04327	3.7
276.12170	3.6
282.13287	4.2
293.10739	3.8
300.14398	3.4
317.11362	2.8
318.15427	99.4
319.15701	3.1
335.06335	2.8
335.12640	8.4
335.16104	6.2
336.06784	3.5
336.10510	52.6
336.14532	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29496	1.1
54.56372	1.1
60.04518	21.0
61.02927	1.3
61.29660	1.0
66.72003	1.0
67.05490	2.5
69.03416	3.7
70.98769	1.9
71.30981	1.1
72.05641	1.3
79.05483	23.3
79.95366	0.9
84.04488	2.3
85.01132	1.5
85.02885	8.3
91.05496	2.4
93.07023	16.6
95.04956	3.1
95.08590	12.9
96.08112	22.8
97.02879	3.7
115.03912	1.1
120.08093	3.8
121.06512	10.3
123.05550	2.0
127.03986	1.6
133.67711	1.0
138.09119	63.0
139.07495	2.6
139.09511	1.3
145.04932	1.5
147.06967	1.0
156.04793	2.9
156.10176	100.0
157.10489	2.3
162.09134	3.0
174.05766	3.6
198.11194	3.8
257.03293	1.2
290.79947	1.2
317.11316	1.3
318.15460	15.0
335.09671	4.5
336.10593	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	335.1825
Annotation	Dihydroactinospectacin
Peak:m/z	Relative Intensity
58.06577	0.5
58.15740	0.4
60.17069	0.4
69.85516	1.0
72.74036	0.4
74.53977	0.4
86.74076	0.4
88.07612	1.0
89.08008	0.4
118.09373	0.4
121.10191	0.5
134.74968	0.4
139.03647	1.9
162.59666	0.4
242.24815	0.8
248.93095	0.4
270.74829	0.5
317.85248	0.5
334.29572	2.6
335.18240	100.0
335.21683	6.1
335.29831	2.5
336.18573	5.4
338.57928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01853	4.9
55.05489	3.1
57.03411	1.8
57.07063	2.5
58.06586	2.6
59.04996	0.9
67.05489	8.2
69.03417	61.6
69.07042	3.2
69.13442	4.8
70.06579	5.4
71.04971	2.2
71.06940	1.2
72.08159	1.0
72.29044	0.8
73.02914	1.4
78.58057	0.7
79.05477	13.6
80.34417	0.7
81.07035	10.4
85.02888	1.6
87.04454	0.9
88.07618	2.8
91.05463	24.2
93.07036	15.1
95.04951	2.9
95.08596	6.8
97.02876	90.1
97.06516	1.1
98.23411	2.0
105.06339	1.8
105.07014	25.7
107.08578	8.5
109.06512	1.1
109.10113	1.0
110.71901	0.9
115.03911	100.0
116.04276	1.6
117.06996	5.0
119.08558	36.2
120.08947	1.1
121.10127	2.7
123.08006	1.6
128.06215	1.7
129.06978	3.9
131.08569	5.0
132.10194	1.5
133.06433	1.1
133.10106	16.0
135.11673	5.0
135.96608	0.9
142.07922	0.9
143.08546	5.6
145.10065	1.4
146.11743	1.6
147.07990	2.6
147.11752	3.6
147.31558	0.9
157.10077	4.5
159.11670	7.9
161.09564	2.9
161.13229	76.1
162.13568	3.0
175.11163	3.6
175.14792	15.2
176.15170	1.0
185.13222	23.0
186.13501	1.4
187.05986	26.4
203.14267	21.4
221.15324	8.6
228.23180	1.0
229.23573	2.6
248.37234	0.9
272.25824	1.5
273.26123	8.0
312.44452	0.8
317.21207	1.0
334.29538	3.9
335.14828	1.3
335.18484	36.0
335.25180	7.3
335.29800	26.7
335.33633	1.8
335.75455	2.3
336.18665	2.7
336.29929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01872	0.6
55.05505	7.8
56.96562	41.5
57.03433	6.8
57.07072	15.5
61.76025	0.6
62.31557	0.6
65.03941	0.8
67.05499	25.6
67.05861	1.3
69.07055	5.7
71.08263	0.9
71.08624	12.0
71.43781	0.6
71.95260	10.0
72.96037	1.1
73.06548	1.5
74.97599	1.0
79.05489	12.8
80.05823	0.6
81.07047	24.0
83.04974	1.0
83.08611	4.2
85.10175	10.6
87.04459	0.7
89.06020	44.3
91.05471	6.7
92.98621	1.9
93.07035	15.1
95.04930	1.1
95.08598	19.4
97.06522	1.2
97.10145	1.6
97.96806	2.4
98.97573	1.1
99.11719	0.7
105.07017	5.9
107.07038	2.5
107.08580	8.7
109.10153	7.5
110.97543	1.8
111.98374	1.4
112.18716	0.8
115.97816	1.1
117.07043	1.4
119.01685	1.0
119.08582	4.3
121.10143	6.8
123.01174	1.9
123.11677	2.4
128.98589	3.7
129.99341	3.1
131.08516	3.8
133.08597	13.4
133.10074	3.9
133.98824	0.6
135.11664	4.4
137.02728	1.9
137.13223	1.0
141.16377	1.0
143.97238	0.6
145.10115	2.4
146.99611	2.5
147.11674	2.2
148.00418	2.7
149.13197	3.0
151.04277	0.9
151.09619	1.8
155.03792	2.5
159.03271	0.9
159.11682	2.3
161.13242	1.5
161.98338	1.8
163.11082	0.6
163.14804	1.9
167.03749	0.9
169.05348	0.9
173.04875	0.7
173.13249	1.4
177.11266	1.4
177.12642	0.6
179.99345	1.7
183.03279	1.9
184.04054	2.1
185.04907	3.0
189.04115	0.7
193.09106	0.6
195.12276	8.0
199.06351	0.8
201.04308	1.9
202.05115	1.8
203.05869	4.2
211.10103	0.7
224.07231	1.4
225.07924	0.8
227.13199	1.0
229.21724	0.9
238.08827	0.6
242.08275	0.8
243.21114	3.5
251.13240	1.1
261.22006	3.3
279.16284	1.5
317.17834	71.9
317.24487	1.7
318.18146	4.0
333.17264	1.1
335.18906	100.0
335.25327	29.0
335.75638	1.1
336.19217	6.3
336.26089	1.4
353.19986	9.6
358.20532	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	335.2188
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
55.05505	0.8
56.05033	1.0
57.03423	0.6
57.07063	1.0
58.06573	1.1
60.04498	0.5
67.05486	2.5
69.71555	2.3
77.23401	0.5
77.78859	0.5
78.12106	0.6
79.05483	1.7
80.35981	0.5
81.07036	3.0
86.06048	0.9
86.08364	0.6
88.07623	5.1
89.07944	1.0
89.45485	0.6
91.05484	1.1
93.07030	1.6
95.08579	2.9
104.07072	0.6
105.07036	0.9
107.04946	0.6
107.08604	1.7
109.10173	1.1
119.08524	0.9
121.10114	0.6
124.71774	0.7
131.08519	1.0
133.10188	0.6
145.10161	0.7
157.10147	0.6
242.24786	1.3
243.21115	0.6
243.25146	4.0
287.27686	1.2
334.29456	1.9
335.21878	100.0
335.29718	15.1
336.22235	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	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
69.62084	1.8
72.28298	0.5
77.00893	0.6
79.05478	0.9
90.13094	0.5
95.08621	0.5
161.95564	0.5
195.09973	0.8
197.93950	0.5
201.09682	1.2
219.10814	0.5
225.11046	0.9
239.11249	1.5
257.12305	1.8
296.33981	0.5
317.19974	0.8
335.21887	100.0
336.22183	6.9
353.21750	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.5
57.03450	0.6
67.05482	1.4
67.84908	0.5
71.20904	0.6
72.04529	0.8
79.05441	0.7
81.07027	1.3
91.05434	1.0
93.07011	1.4
95.08585	1.1
104.79707	0.5
107.08567	0.6
131.08542	0.7
133.10110	0.6
190.09630	0.5
195.09938	2.2
277.21582	1.4
335.21851	100.0
335.25076	5.3
335.75647	1.1
336.22156	4.7
336.28937	0.9
350.62241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01848	0.6
55.05506	9.3
55.83476	0.5
57.03182	0.7
57.03432	8.4
57.07063	1.2
65.03921	1.6
67.05494	35.7
69.07056	7.8
69.42278	1.6
71.04985	0.9
72.04511	2.1
79.05478	18.2
81.07044	31.5
82.07388	0.8
83.04967	1.1
83.08613	3.4
85.06543	0.9
91.05463	9.4
93.07030	19.2
95.04951	2.6
95.08591	27.8
97.06508	1.5
97.10172	1.3
98.43102	0.5
99.08115	0.7
101.18897	0.5
105.04517	1.1
105.06999	6.5
107.08572	10.1
109.06497	1.5
109.10143	10.1
117.06987	2.2
119.08552	5.0
121.10117	8.0
123.11703	3.1
129.05473	1.0
131.08551	4.3
133.10110	4.4
135.07993	0.9
135.11659	5.8
137.13226	0.8
145.10103	3.0
147.11647	2.8
149.09590	0.7
149.13220	3.8
151.11090	0.5
159.11679	2.0
161.13213	2.6
161.40224	0.5
163.14818	1.2
165.12758	2.9
166.13098	2.0
173.13226	2.4
175.14821	0.7
177.16322	1.0
184.08720	0.5
187.14783	1.3
195.09898	2.4
221.74345	0.6
230.94749	0.5
233.11581	0.6
243.21059	3.0
261.22165	4.2
304.93826	0.6
317.24716	1.2
335.21829	100.0
335.25757	35.9
336.22156	6.8
336.26077	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17752	2.2
53.03947	2.2
55.05511	24.1
57.03438	26.0
57.07076	2.8
65.03947	2.5
67.05503	88.4
69.07062	21.9
69.68899	2.2
71.04987	3.1
79.05490	45.0
80.94842	2.7
81.07053	71.2
81.22432	2.2
83.04965	2.4
83.08604	8.8
91.05479	25.9
93.07037	46.7
94.45042	2.0
95.04963	6.9
95.08597	62.9
97.06510	2.5
97.10150	4.1
105.07053	11.8
107.08589	21.9
109.06548	2.8
109.10170	23.9
109.78970	1.9
111.08061	2.3
117.06990	3.4
119.08568	10.3
121.10139	18.1
121.71779	2.0
123.11709	6.2
130.64452	2.3
131.08575	5.5
133.10127	8.4
135.11703	6.9
137.13228	3.6
145.10147	3.0
147.11693	5.3
149.13245	4.2
159.11702	4.5
161.13222	2.6
261.22180	2.5
277.69302	1.9
301.11282	2.3
335.21878	100.0
335.25766	64.7
335.75632	3.1
336.22192	5.6
336.26022	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	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32764	1.2
55.05505	4.1
57.03423	1.9
67.05497	11.6
69.07054	2.5
69.88819	4.3
79.05478	6.2
81.07047	12.2
83.08604	2.4
89.04324	1.4
91.05482	3.9
93.07059	8.7
95.04932	1.8
95.08585	9.6
105.07031	2.4
107.08580	5.5
109.10148	5.7
118.66508	1.5
119.08602	2.9
121.10140	4.3
122.00862	1.4
123.11794	1.9
131.08543	2.3
133.10126	1.9
135.11757	1.5
145.10139	2.4
166.13126	1.7
191.26840	1.4
209.22624	1.7
243.21515	1.9
277.21655	5.5
279.77710	1.5
288.92358	1.7
335.21890	100.0
335.25720	8.8
336.22009	8.0
336.25464	1.6
336.28983	3.5
353.21649	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03945	1.8
55.01878	1.6
55.05506	19.7
57.03430	26.0
57.07064	3.6
65.03922	2.7
67.05496	87.2
68.05819	2.2
69.07060	17.7
69.65347	2.9
71.04981	3.2
71.08621	1.6
71.90916	0.8
74.17063	0.9
77.03936	1.8
79.05482	46.2
80.05830	1.0
81.07048	85.9
82.07384	1.6
83.04987	2.0
83.08614	9.8
85.06544	2.5
91.04935	1.8
91.05471	25.2
92.05804	1.0
93.07033	59.9
94.07364	1.6
95.04960	5.8
95.08594	68.0
96.08913	1.8
97.06508	3.1
97.10164	3.0
105.04541	1.8
105.07014	18.9
107.07838	1.4
107.08580	29.7
109.06509	2.8
109.10139	31.7
111.08041	1.9
117.06970	4.5
119.08576	15.6
121.10125	24.7
122.07103	0.8
123.08067	2.3
123.11693	9.2
125.54132	0.9
131.08557	14.8
133.10110	12.6
135.08037	1.8
135.11671	16.2
137.09528	1.5
137.13235	3.6
139.11168	1.2
143.08533	1.7
145.10101	10.3
147.11670	7.7
149.13242	11.1
151.14868	1.4
156.09299	1.2
157.10194	2.0
159.11693	5.7
161.13232	6.0
163.14813	3.5
171.11697	1.2
173.13248	8.0
175.14816	2.6
177.16267	1.4
186.46710	1.0
187.14828	4.0
197.13400	1.1
201.16362	1.7
243.21057	8.0
261.22144	11.4
279.23346	1.6
317.24591	4.7
335.25772	100.0
336.26224	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.56406	0.9
52.41094	1.1
53.03939	2.2
55.01867	1.6
55.05503	19.2
57.03427	27.3
57.07053	2.6
65.03918	3.8
67.05494	81.1
68.05814	2.4
69.07058	15.7
70.72785	1.5
71.04969	1.5
77.03929	1.4
79.05479	46.0
80.05795	1.2
81.07043	93.5
82.01364	0.9
82.07376	2.7
83.04970	1.4
83.08624	8.2
85.06515	2.8
91.05460	21.8
92.60369	0.9
93.07028	52.5
94.07373	1.2
95.04954	4.6
95.08590	70.9
96.08909	2.2
97.06518	3.0
97.10150	4.3
99.08052	1.7
105.04501	1.8
105.07015	17.1
107.08579	32.7
109.06546	1.8
109.09411	2.0
109.10144	30.5
110.97123	1.1
111.08053	1.2
111.11713	1.2
117.06980	6.1
119.08552	13.4
121.10124	26.1
123.08013	1.4
123.11670	10.9
129.05498	1.2
131.08551	13.1
133.10092	12.5
135.11664	19.3
137.13234	3.4
144.84113	1.0
145.10101	10.2
147.11652	8.4
149.09595	1.6
149.13242	13.2
159.11705	6.6
161.13232	8.0
163.11111	1.3
163.14830	5.6
165.12769	2.7
173.13220	6.3
175.14815	3.5
177.16357	3.4
187.14795	4.5
191.14171	1.1
201.16342	1.9
213.02916	1.0
242.27617	1.2
243.21051	12.6
244.21352	1.0
251.06718	1.1
261.22070	18.4
262.22433	1.2
279.23172	1.7
317.24792	3.0
335.25735	100.0
336.26047	9.0
340.73077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.58052	0.7
53.03942	2.1
55.01869	1.2
55.05258	1.6
55.05505	25.6
57.03430	25.3
57.07051	3.5
64.59548	0.8
65.03922	3.3
67.05496	95.9
68.05825	2.2
69.07058	22.6
71.04966	2.7
71.08621	1.0
77.03902	1.5
79.05481	51.0
81.03434	0.8
81.07046	90.5
82.07393	1.3
82.85822	0.9
83.04966	2.7
83.08616	9.8
85.06516	1.4
91.04934	1.8
91.05470	24.5
93.07031	56.9
94.07355	1.5
95.04955	6.3
95.08594	70.8
96.08946	1.2
97.06491	2.9
97.10136	3.0
99.08080	1.2
105.04523	1.5
105.07024	17.5
105.12343	0.8
107.08572	26.3
109.06503	1.9
109.10139	28.3
111.08074	1.5
117.07014	5.4
119.08561	10.8
121.10129	21.3
123.08053	1.1
123.11693	10.1
126.50170	0.9
129.05455	1.2
131.08556	11.3
133.10115	11.7
135.11682	15.3
137.09615	1.3
137.12225	0.8
137.13246	3.5
145.10078	7.3
147.11696	5.7
149.13252	7.8
151.11185	1.0
151.14803	1.7
159.11674	5.7
161.13242	6.7
163.14807	3.7
165.12730	1.4
173.13232	6.2
175.14830	2.2
177.16374	1.1
187.14783	2.5
189.16360	1.1
201.16359	1.2
201.81822	0.9
229.04790	1.3
243.21027	5.2
261.22086	8.2
306.55630	0.9
317.24826	5.0
335.25739	100.0
336.26080	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.26169	0.8
53.03926	3.0
53.17628	0.8
55.01861	1.9
55.05502	24.8
57.03430	26.0
57.07059	2.9
65.03921	5.1
65.27024	1.0
67.05495	100.0
68.05808	1.5
69.07056	25.3
69.44645	2.4
69.45049	2.6
71.04981	3.1
77.03925	1.5
79.05480	51.6
81.07043	81.8
82.07381	2.0
83.04974	2.6
83.08614	8.7
85.06537	2.2
91.05466	28.4
93.07031	51.9
93.57193	0.8
94.07339	1.6
95.04955	7.9
95.08591	61.8
96.08913	2.1
97.06509	3.4
97.10149	2.5
98.22739	1.7
99.08073	0.9
105.04518	2.7
105.07011	15.5
105.15639	0.8
105.44885	1.0
107.08574	23.3
107.51215	0.8
108.08924	0.9
109.06489	1.8
109.10139	21.2
111.08066	1.9
117.06970	5.1
119.06079	1.2
119.08566	10.2
121.10116	19.3
123.08055	1.5
123.11688	6.8
129.05458	0.9
131.08557	7.7
133.10112	6.7
135.11670	11.7
137.09502	1.0
137.13199	2.5
145.10143	5.2
147.11653	4.2
147.28484	0.9
149.13255	5.5
151.11238	0.8
159.11703	4.1
161.13225	2.6
163.11224	1.0
163.14771	1.6
164.57707	0.9
169.42604	1.0
173.13278	2.8
175.14772	1.8
187.14763	1.9
225.79109	1.0
227.62700	0.9
231.96541	1.0
243.21196	1.4
250.42738	0.9
261.22092	4.6
274.32196	0.9
317.24780	1.1
335.22311	2.6
335.25732	73.3
336.26083	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	335.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.03940	2.6
55.01862	1.0
55.05508	25.9
56.05851	0.7
57.03434	25.9
57.07074	2.5
64.09214	0.5
65.03934	4.7
66.04691	0.5
67.05500	100.0
68.05830	1.7
69.03419	1.0
69.07063	23.1
69.52869	1.1
71.04983	2.1
71.08631	0.8
72.04509	1.3
77.03914	1.2
79.05489	50.5
80.05833	1.0
81.03402	0.5
81.07050	81.2
82.07372	2.3
82.77858	0.5
83.04966	2.6
83.08613	9.8
84.30026	0.5
85.06533	1.4
91.05474	23.9
91.06050	1.1
92.05809	0.8
93.07039	51.4
94.07371	1.2
95.04402	0.8
95.04971	8.6
95.08599	62.2
96.08924	1.6
97.06523	2.8
97.10155	3.0
99.08085	1.2
105.04490	2.3
105.07029	14.9
107.08586	21.7
108.08921	0.7
109.06516	2.9
109.10149	24.3
110.10458	0.5
111.08060	1.5
111.11687	0.6
117.06994	4.2
119.06086	0.8
119.08579	9.7
121.10135	18.9
122.10459	0.4
123.08016	1.6
123.11701	7.7
125.09640	0.9
129.06943	0.7
131.08559	6.3
133.10129	7.7
135.11678	9.4
137.09621	0.9
137.13249	2.2
139.11145	0.7
145.10101	4.9
147.11671	3.6
149.09608	0.9
149.13258	4.3
151.11197	0.8
159.11684	2.5
161.13231	3.3
162.37325	0.5
163.14786	1.7
163.16238	0.4
165.12689	1.5
166.13116	1.1
173.13243	2.8
175.14812	1.4
177.16414	0.6
179.14497	0.5
187.14803	1.8
201.16371	0.8
213.16708	0.4
219.17410	0.6
224.44423	0.5
237.20448	0.5
243.20946	0.7
243.67203	0.5
261.22174	2.2
335.21796	15.6
335.25665	73.5
336.22064	1.6
336.25989	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	335.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27317	0.8
52.94648	0.8
53.02549	0.8
53.03931	3.1
55.01868	1.4
55.05257	1.6
55.05508	26.7
57.03435	26.8
57.07055	3.6
65.03931	3.4
65.04401	0.9
65.79247	0.9
67.05502	100.0
68.05827	1.7
68.76572	0.8
69.03416	1.1
69.06704	1.2
69.07065	19.8
71.04978	2.0
71.08617	1.4
75.04502	0.8
77.03948	1.4
79.05489	50.6
80.05821	0.9
81.07055	86.3
82.07381	2.0
83.04968	1.8
83.08620	10.1
85.06551	1.5
91.05474	25.2
93.07040	51.6
94.07381	1.1
95.04984	5.8
95.08602	69.3
96.08922	1.9
97.06535	2.4
97.10156	3.1
99.08073	1.7
105.04527	1.7
105.07024	14.7
107.08590	31.4
109.06501	3.2
109.10149	26.1
111.08094	2.2
117.06989	4.5
119.08576	12.0
121.10142	22.6
123.08053	2.1
123.11702	8.9
129.05492	1.0
131.08565	10.6
133.10144	11.5
135.11676	14.1
137.09630	1.1
137.13237	3.2
145.10135	7.2
147.11688	6.2
149.13289	7.7
159.11736	4.6
161.13245	5.1
163.14864	2.2
165.12712	5.5
173.13268	4.9
175.14842	2.9
187.14780	1.9
233.22427	0.8
243.21042	5.1
261.22125	7.1
304.03754	1.1
317.24716	4.9
335.25778	84.5
336.26239	4.8
340.88293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28031	0.2
55.01843	0.2
67.05484	0.4
69.03414	0.3
70.06586	0.3
71.04978	0.3
75.01945	0.3
84.04464	0.2
85.02892	0.2
86.09669	0.4
93.06995	0.3
95.03703	1.5
105.07001	0.4
107.03677	0.8
108.02090	0.4
119.03654	2.9
120.02000	0.2
120.08084	0.8
124.07529	0.4
132.04424	0.6
134.05962	0.4
138.09137	0.4
144.04395	0.8
145.08574	0.5
146.08913	0.6
147.03119	1.9
148.03909	1.3
162.05504	1.0
163.06209	0.5
165.04190	6.4
174.05467	0.7
175.02609	8.6
176.02885	0.3
190.04958	100.0
191.05304	3.6
193.03674	49.6
194.04018	1.5
220.09612	0.2
300.12192	0.3
318.13245	0.5
319.13724	0.2
336.07095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00514	0.4
55.05491	0.8
55.31449	0.5
67.05496	1.0
69.03439	0.7
69.07057	0.8
69.37343	2.1
70.06567	0.4
71.04977	0.6
79.05487	0.9
81.07036	1.8
83.04984	0.6
93.07035	1.0
95.04948	0.4
95.08578	0.9
96.45840	0.4
97.10123	0.5
105.06973	0.8
107.08556	0.9
109.10138	1.2
121.10341	0.4
122.40323	0.4
123.11663	0.8
149.09624	0.4
157.10179	0.6
161.05951	0.8
175.03712	0.6
176.80397	0.4
184.13075	1.2
236.71419	0.4
238.15062	0.4
246.10992	1.1
260.23569	0.4
272.12451	0.5
304.15161	0.9
318.16730	9.8
319.16989	1.0
335.75357	1.1
336.17749	100.0
337.14462	0.7
337.18140	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	336.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.1
67.05497	40.8
69.07060	18.5
69.70651	17.1
69.71037	12.9
79.05473	11.7
81.07047	71.8
83.08620	8.9
83.70978	11.0
87.00846	7.8
91.05469	14.2
93.07013	19.3
94.18877	7.3
95.04953	8.8
95.08588	91.1
98.23431	16.1
99.10327	7.1
105.07027	22.5
107.08614	16.5
109.10127	14.3
114.15714	7.6
119.08589	29.4
121.10102	13.4
128.05983	7.1
133.10129	19.6
135.11670	16.1
137.13237	60.1
161.13228	67.9
179.14270	100.0
182.26141	8.8
189.09116	8.1
195.93155	6.7
197.15408	24.7
227.39397	9.4
325.67984	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	336.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	6.0
60.04520	58.5
60.64978	2.6
64.92311	2.3
67.05488	14.6
69.07059	4.7
69.58210	9.0
70.06560	2.5
71.04984	2.7
71.13141	2.4
79.05487	21.0
81.07039	19.8
83.08620	2.4
85.06522	4.5
88.03986	16.0
91.05473	30.2
93.07037	22.6
95.04977	3.6
95.08598	9.7
105.07028	38.4
106.05014	100.0
107.08599	11.3
109.10115	4.6
117.06984	6.9
119.08571	35.5
121.10112	11.5
121.62718	2.4
129.06998	7.0
131.08533	13.1
133.09171	4.2
133.10112	57.7
135.11658	10.0
142.34140	2.3
143.08531	7.2
145.10107	17.5
147.07967	2.6
147.11676	56.9
149.09566	3.6
157.10083	12.0
159.11656	8.3
161.13271	4.7
171.11685	15.0
172.06032	3.8
185.13245	7.5
189.16385	14.8
203.14316	2.8
203.17915	9.6
213.16354	41.3
214.16594	2.2
224.67856	2.2
231.17401	57.3
293.42538	2.1
318.20554	3.4
325.40118	2.3
335.29721	2.6
335.75391	8.0
336.21674	17.4
336.25500	3.7
336.30045	9.1
337.20221	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	336.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01850	3.3
55.05506	19.0
65.03911	2.1
65.37565	1.9
65.88866	1.6
67.05495	44.2
68.05813	1.8
69.07059	13.2
69.51936	3.3
69.52345	6.8
71.04971	2.7
73.02910	5.9
73.71231	2.2
78.84938	1.8
79.05484	32.2
80.05803	1.9
80.94837	3.9
81.07052	29.2
83.08624	3.5
91.05469	18.8
93.07035	28.4
95.04967	5.0
95.08591	21.1
97.10168	2.6
99.04452	15.7
102.68333	2.0
105.07016	9.1
107.08574	16.0
109.06516	2.5
109.10168	6.9
117.07011	2.0
119.08564	6.5
121.10107	11.9
131.08583	4.7
133.10144	5.5
135.11697	3.3
141.90942	1.9
145.10146	2.9
147.11745	2.0
193.01787	2.0
277.21585	100.0
278.21863	3.8
288.92194	3.5
316.93344	2.1
336.22208	8.9
336.28943	70.6
337.29242	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	337.089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28531	3.8
62.06076	10.0
70.44495	7.0
80.50320	4.2
82.47240	3.5
94.93006	4.1
101.00853	5.1
119.01923	14.4
120.96679	7.0
131.01875	5.6
145.03455	17.2
155.01825	7.6
173.02982	11.9
189.02333	4.9
192.96596	9.2
217.01886	19.9
235.03014	11.4
251.27901	3.7
254.57813	3.8
268.13104	3.5
331.58942	3.7
336.95172	4.1
337.08624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14856	9.2
75.32681	3.6
98.23426	3.6
189.90358	3.4
191.15511	3.4
198.20576	3.2
227.71053	3.1
263.73462	3.8
337.08765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62929	6.5
54.81188	6.2
62.06065	37.3
68.57199	6.4
70.04724	18.9
73.33475	6.2
85.02892	7.1
92.90780	7.0
96.80137	6.0
101.00898	7.1
119.01929	10.6
120.96653	14.8
145.03450	16.5
146.99736	7.5
173.02940	11.9
174.99174	10.8
193.00104	21.4
206.49976	7.0
217.00110	14.6
217.01979	21.2
235.03105	10.9
337.08432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03453	0.5
50.47578	0.7
53.17085	0.5
57.02277	0.5
62.72396	0.6
67.72659	0.5
68.99305	0.5
69.03423	0.6
69.29005	1.7
69.29400	1.1
79.23738	0.7
84.30875	0.6
84.58211	0.6
85.02883	1.0
91.05472	0.9
98.22709	1.3
108.94518	0.6
131.04897	0.7
131.08484	0.5
136.07571	1.8
137.05963	1.6
151.03876	0.7
161.05879	0.9
174.05481	0.7
175.03651	8.0
185.04196	12.8
185.05835	0.6
205.59966	0.6
206.07419	0.6
234.06805	0.9
256.84198	0.6
277.08322	0.9
305.08246	1.2
337.08884	100.0
338.09042	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	337.1406
Annotation	Pyriferine C
Peak:m/z	Relative Intensity
70.04243	0.9
70.04581	0.6
94.71203	0.4
337.14050	100.0
338.14374	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	337.1747
Annotation	12-epi-Fischerindole U isothiocyanate
Peak:m/z	Relative Intensity
51.27393	0.3
55.05489	0.8
56.05843	0.4
58.99135	0.3
67.05492	2.1
68.05811	0.5
69.07035	0.8
70.04559	1.0
79.05477	0.9
81.07040	1.7
81.78307	0.3
85.72775	0.3
89.11229	0.4
91.05482	0.5
92.98339	0.4
93.06998	1.0
95.04943	0.5
95.08611	0.8
96.08948	0.4
98.23444	0.5
100.69195	0.3
102.43671	0.3
107.08616	0.7
109.10156	0.5
110.88918	0.4
116.99277	0.4
119.08566	0.5
121.10149	0.4
133.10066	0.5
137.09599	0.4
147.11710	0.4
151.11255	0.4
173.05492	0.8
174.06818	0.3
175.45525	0.4
284.17636	0.4
314.16452	0.5
337.10602	3.1
337.17441	100.0
338.17740	6.9
338.26584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01871	6.2
55.05509	48.7
57.03433	32.9
57.07070	21.5
61.02916	2.8
65.03961	4.0
67.05502	81.3
69.03436	14.5
69.07066	46.6
69.20060	13.4
71.01370	3.1
71.04990	10.7
71.08631	4.7
73.02929	11.8
74.09717	11.2
76.77533	2.3
79.05491	40.7
81.07054	100.0
83.04984	7.1
83.08623	28.8
85.02916	5.7
85.06546	21.2
87.04497	3.9
89.30675	2.3
91.05474	29.1
93.07037	28.5
95.04967	4.3
95.08607	61.7
97.06543	10.6
97.10178	9.8
99.04456	8.4
99.08109	7.1
103.03929	3.2
105.07047	11.1
107.08581	17.2
109.06513	18.0
109.10146	25.4
109.73984	2.3
111.04435	3.0
111.08089	23.6
111.11710	2.7
115.03961	2.7
115.07549	2.9
119.08620	9.2
121.10141	11.4
123.08062	4.3
123.11710	8.6
125.09630	4.1
127.07516	11.9
129.09103	4.7
133.10115	29.1
135.08075	4.3
135.11700	3.7
137.13223	3.5
147.11710	6.2
147.15445	2.4
149.09612	77.9
149.13132	3.3
153.09113	17.8
163.14850	3.1
171.10201	16.0
175.14859	4.8
189.11227	5.1
254.45338	2.5
263.23758	5.5
337.10709	2.8
337.27325	76.8
338.27725	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71482	1.4
55.01862	4.6
55.05497	3.7
56.15570	1.4
65.36783	1.8
67.05493	22.9
69.03417	72.6
69.07041	4.3
69.39690	1.4
69.70493	6.6
70.03761	1.5
79.05473	20.5
81.07042	16.8
83.08617	2.0
85.06543	2.3
91.05446	8.2
93.07023	23.0
94.70062	1.6
95.04964	3.4
95.08598	16.4
97.02876	99.5
98.03205	2.4
99.57896	1.7
105.07002	3.0
107.08593	12.1
108.02031	1.6
109.10141	11.8
115.03909	100.0
117.07004	3.5
119.08556	5.1
121.10116	20.2
123.11651	3.9
131.08548	6.8
133.04964	2.5
133.10133	3.1
135.08035	2.5
135.11658	5.6
145.10059	7.5
149.09544	2.8
159.11685	3.6
161.13269	3.4
163.11154	2.1
163.14799	23.0
164.15074	1.7
177.16327	11.9
187.05933	13.4
187.14751	19.8
205.15852	12.9
223.16879	5.4
262.09714	1.8
278.48898	1.5
293.11713	3.5
336.75735	2.0
337.20035	23.2
337.23807	2.7
338.20392	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27979	0.5
55.05493	0.5
56.36288	0.4
67.05487	1.0
71.42953	0.5
74.04099	0.5
81.07055	1.3
83.08605	0.4
91.05431	0.7
93.07018	0.8
95.08607	0.8
96.92202	0.6
99.08093	0.8
107.08569	0.5
109.10110	0.6
123.64429	0.5
134.51399	0.5
283.50186	0.5
288.61041	0.4
314.16675	0.5
337.23431	100.0
338.23660	4.8
338.26822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03933	2.3
55.01863	1.4
55.05506	37.7
57.03431	24.4
57.07064	6.5
65.03933	2.2
67.05497	81.2
68.05819	1.3
69.03413	1.0
69.07060	44.7
69.34344	0.9
69.34615	3.6
70.07362	0.9
71.04980	2.0
71.08614	1.9
76.41794	0.6
79.05483	20.5
80.05756	0.6
81.04565	0.8
81.07048	83.4
82.07367	1.1
83.04963	1.4
83.08611	24.2
85.06538	2.9
85.10170	1.4
91.05471	13.2
93.07036	21.4
95.04955	1.6
95.08594	67.2
97.06514	4.6
97.10157	12.5
99.08078	2.1
99.54062	0.7
103.82156	0.7
105.04504	0.8
105.07011	9.8
107.08575	12.2
109.06480	1.5
109.10142	28.8
111.08053	2.9
111.11716	2.4
113.09634	1.2
117.06996	1.0
119.08558	6.5
121.10121	11.7
122.39428	0.7
123.08091	1.1
123.11699	11.6
125.09636	1.5
125.13232	0.8
127.11205	1.3
133.10107	7.7
135.11685	7.2
137.09578	1.0
137.13228	4.6
139.11145	2.1
147.11649	6.0
149.13249	5.0
151.11203	1.2
151.14838	1.9
154.57359	0.7
161.13243	5.9
163.14781	4.8
165.12668	0.9
175.14795	3.7
177.16406	1.9
189.12900	0.7
189.16501	1.6
207.17406	0.9
209.73257	0.7
235.16794	2.0
245.22652	5.2
245.94356	0.8
263.23694	8.9
319.26196	0.8
337.27328	100.0
338.27615	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	337.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01863	1.8
55.05503	10.7
57.03429	12.7
57.07061	1.8
58.03758	0.3
60.29760	0.4
64.24966	0.3
65.03918	1.0
67.05497	26.3
68.05817	0.8
69.03397	0.4
69.06708	0.7
69.07060	11.8
70.07411	0.4
70.60243	0.6
71.04964	1.2
71.08624	0.7
74.76885	0.3
79.05489	9.0
80.05799	0.5
81.07047	22.2
82.07367	0.9
83.04950	0.6
83.08610	6.3
84.08868	0.3
85.06042	0.6
85.06531	8.0
85.10132	0.4
86.91631	0.3
91.05473	6.0
93.07036	8.4
93.11874	0.3
94.07362	0.7
95.04958	9.7
95.08593	17.1
96.08933	1.0
97.06532	1.8
97.10162	3.1
97.95892	0.3
98.09801	0.3
99.08076	0.5
100.02253	0.3
101.88617	0.3
105.04497	0.4
105.07004	3.8
107.04929	0.6
107.08577	5.1
109.06506	9.1
109.10139	7.0
110.10459	0.6
111.08073	0.8
111.11704	0.9
113.05991	21.6
116.06237	0.4
117.07014	1.2
119.08561	3.1
121.06513	0.5
121.10123	3.3
122.10449	0.6
123.08018	1.0
123.11689	2.7
129.06960	0.8
131.08551	2.1
132.08894	0.4
133.10095	3.2
135.08032	6.9
135.10803	0.5
135.11652	2.3
137.13254	1.6
143.08560	0.9
145.10143	1.3
147.08028	0.5
147.11665	1.5
149.09602	0.5
149.13232	1.5
151.11197	0.5
157.10101	0.8
159.11700	1.2
161.09564	1.1
161.13231	1.5
163.14809	0.5
171.11710	0.4
173.05516	0.4
173.13257	0.5
175.14774	0.5
177.12688	0.4
177.16521	0.4
195.13731	0.4
199.14793	0.6
217.15805	2.5
221.36729	0.4
237.16449	0.3
245.22615	0.8
263.23624	1.2
273.18494	3.4
291.16229	0.5
291.19498	9.2
292.19907	0.6
319.22626	0.6
337.17453	100.0
337.27231	27.8
338.13974	0.3
338.17758	7.7
338.27679	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2732
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.00063	0.6
53.03934	1.9
55.01860	1.9
55.05504	39.6
57.03431	25.6
57.06859	0.6
57.07072	6.8
65.03924	2.7
67.05496	87.1
68.05838	1.7
69.03391	1.0
69.07060	53.0
69.66921	2.5
70.07385	1.3
71.04985	1.5
71.08618	2.1
79.05485	22.9
81.07046	82.8
83.04966	1.9
83.08115	1.6
83.08606	24.3
85.06527	3.2
85.10154	1.3
86.36370	0.7
91.05465	14.1
93.07032	20.3
94.07352	0.7
95.04963	1.5
95.08594	58.5
96.08890	1.4
97.06523	5.0
97.10160	14.0
98.23450	1.4
99.08070	2.3
105.04501	0.7
105.07021	9.9
107.08584	11.5
109.06507	1.3
109.10143	20.8
110.10394	0.8
111.08059	2.4
111.11710	2.3
113.09643	0.8
119.08569	8.6
121.10136	11.7
123.08023	1.2
123.11698	11.4
125.09618	2.2
125.13161	0.7
127.11171	0.6
133.10118	8.7
135.11668	5.7
137.09624	1.6
137.13228	5.1
139.11230	1.2
141.09190	0.8
144.29764	0.8
147.11664	5.7
148.94975	0.7
149.13222	4.3
151.14798	2.1
153.12691	0.9
161.13278	5.0
163.14796	2.6
165.16446	0.7
175.14772	3.5
189.16373	1.3
245.22665	1.9
263.23669	4.5
337.27310	100.0
338.27664	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	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.8
55.01855	1.4
55.05506	44.1
57.03432	26.4
57.07071	7.4
65.03925	2.9
67.05498	88.9
68.05791	1.2
69.07061	47.6
69.29081	3.2
69.29470	1.8
71.04974	1.5
71.08624	2.7
79.05042	1.6
79.05489	27.2
81.07049	92.2
82.07376	1.8
83.04974	2.6
83.08613	26.4
85.06524	2.4
91.05468	15.0
93.07034	22.0
95.04952	2.9
95.08598	68.7
97.06518	3.9
97.10153	12.2
99.08057	2.2
105.07014	12.0
107.08600	14.8
109.06547	1.3
109.10146	26.1
109.65577	0.9
111.08076	4.1
111.11706	2.9
113.09614	0.9
119.08564	9.6
121.10130	11.3
123.08053	1.7
123.11705	10.1
133.10106	9.1
135.11649	6.7
137.09656	1.4
137.13252	4.8
139.11205	1.0
147.11653	6.0
149.13254	2.8
151.11127	1.2
151.14783	2.9
161.13252	5.2
161.67438	0.9
163.14796	2.9
165.16350	1.6
175.14841	3.4
177.16310	1.2
189.16389	1.3
211.43376	0.9
242.10136	1.1
245.22670	4.7
263.23694	5.8
337.27322	100.0
338.27737	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	337.2732
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.38686	0.9
53.03944	2.6
55.01856	1.4
55.05503	40.2
56.05829	1.2
57.03427	26.9
57.07069	9.4
57.81025	0.8
65.03921	2.2
67.05493	93.5
68.05820	2.1
69.07056	48.8
70.07384	0.8
70.55381	1.4
71.04964	2.3
71.08608	2.5
75.38705	0.8
79.05033	1.7
79.05479	24.0
81.07043	91.6
82.07373	1.6
83.04974	1.8
83.08604	24.9
85.06525	2.3
85.10198	1.0
91.05470	14.5
93.07026	20.9
95.04933	3.1
95.08589	68.8
96.08945	1.5
97.06488	5.2
97.10155	15.3
99.08083	2.1
105.07006	9.0
107.08576	10.9
109.10132	27.8
111.08055	3.1
111.11715	2.0
119.08565	9.2
121.10117	11.4
123.08042	1.3
123.11684	11.2
125.13263	1.0
131.08635	1.0
133.10114	7.4
135.11678	6.7
137.09590	2.0
137.13202	4.4
139.11208	1.0
147.11668	6.1
149.13232	3.5
151.14821	1.8
161.13205	4.6
162.75186	0.7
163.14764	4.4
165.16327	1.2
175.14828	3.5
177.16350	1.0
181.05795	0.8
189.16397	1.7
193.15936	1.2
203.59306	0.9
238.56134	1.0
245.22626	5.6
263.23627	7.5
278.78430	0.8
312.01877	0.9
337.27292	100.0
338.27673	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	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03947	1.5
55.01859	1.2
55.05506	38.9
56.05827	1.0
57.03429	25.8
57.07074	5.3
65.03933	3.7
67.05496	84.4
68.05818	2.0
69.07059	50.9
69.78698	2.0
69.79056	2.1
71.04968	2.7
71.08617	2.4
79.05482	20.1
81.07047	81.8
83.04966	2.2
83.08610	24.1
85.06526	1.8
85.10181	1.1
88.28207	0.9
91.05472	12.8
93.07031	19.9
95.04963	1.8
95.08595	62.1
95.12037	0.8
96.08946	1.3
97.06529	5.0
97.10165	11.1
99.08085	1.6
105.04515	1.2
105.07016	7.5
107.08592	11.2
109.06525	1.1
109.10143	23.8
111.08060	2.5
111.11723	2.2
113.00928	0.9
113.09692	0.9
117.07014	1.0
119.08567	6.1
121.10149	8.3
122.74416	0.8
123.08104	1.5
123.11695	10.5
125.09603	1.4
133.10121	6.1
135.11699	4.7
137.09625	0.8
137.13243	3.5
147.11667	5.3
149.13275	4.0
151.11151	1.3
151.14839	1.4
161.13246	4.5
163.14807	2.9
165.23940	0.8
175.14828	4.2
177.16364	1.0
189.16333	1.0
199.79729	1.1
245.22665	2.8
263.23752	5.6
337.27319	100.0
338.27692	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	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.47991	0.8
53.03927	2.1
54.62976	0.9
54.94802	0.7
55.01860	1.9
55.05506	41.6
55.68112	0.9
57.03433	25.6
57.07072	7.0
59.04993	0.9
65.03934	2.9
66.89120	0.8
67.05497	86.8
68.05800	0.9
69.07061	47.1
69.85313	2.5
71.04987	1.7
71.08619	2.5
79.05486	24.0
81.07048	82.0
82.07371	1.1
83.04975	2.4
83.08614	25.0
85.06537	2.4
85.10184	0.8
91.05476	13.9
93.07035	22.2
95.04964	2.5
95.08596	68.6
96.08894	1.4
97.06513	5.6
97.10155	12.7
99.08075	1.4
103.49001	0.7
105.04550	1.4
105.07027	10.5
107.08586	11.3
109.06497	1.7
109.10146	23.9
109.57064	0.9
111.08081	3.0
111.11698	2.1
113.09586	0.9
119.08585	9.7
121.10136	11.5
123.08096	1.3
123.11697	9.3
125.09591	1.6
125.13322	0.8
133.10104	9.3
135.11670	5.1
135.46414	0.9
137.09599	1.4
137.12334	0.8
137.13211	4.7
138.25146	0.9
139.11192	1.0
147.11659	4.4
149.13257	3.9
151.14798	2.2
153.12744	1.0
161.13197	4.6
163.14825	3.6
165.16469	0.9
175.14825	3.0
177.16315	1.5
188.71944	0.8
189.16362	1.6
245.22571	3.9
263.23734	6.6
337.27328	100.0
338.27707	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	337.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.8
55.01852	1.8
55.05504	43.2
57.03428	30.7
57.07062	7.4
65.03925	3.3
67.05493	100.0
68.05816	1.2
69.07056	56.4
69.10267	8.0
71.04969	2.4
71.08604	1.5
79.05481	23.4
81.07043	92.0
82.07369	2.6
82.14066	1.5
83.04971	3.4
83.08605	26.3
85.06529	2.5
91.05469	18.6
93.06441	1.7
93.07033	26.6
94.07350	1.6
95.04945	2.9
95.08593	66.4
96.08902	1.5
97.06487	6.1
97.10148	12.2
98.97559	1.3
99.08067	2.0
105.07018	14.0
107.08579	14.5
109.06520	2.2
109.10139	23.9
111.08038	3.7
111.11725	2.6
119.08550	10.7
121.10135	10.2
123.08031	1.3
123.11678	11.4
125.09613	1.6
131.08508	1.7
133.10110	8.9
135.11690	6.9
137.09576	1.6
137.13231	2.9
139.11214	1.2
147.11684	5.3
149.13206	3.3
151.11238	1.1
161.13229	4.3
163.14764	2.3
173.64177	1.3
175.14818	3.2
189.16409	1.7
209.55646	1.3
215.52560	1.3
240.19064	1.3
263.23605	4.6
279.23044	1.5
293.11749	1.5
315.02606	1.2
337.10709	1.9
337.17505	18.1
337.27301	98.7
338.17487	1.3
338.27594	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	337.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26549	0.8
53.03938	2.2
55.01863	1.7
55.05505	36.0
57.03430	24.8
57.07064	6.1
58.75320	0.7
59.04981	0.7
65.03929	2.7
67.05496	78.6
68.05820	1.7
69.03446	0.8
69.07060	40.7
71.04983	1.5
71.08630	3.1
79.05035	1.4
79.05485	23.2
81.07046	80.3
82.07386	1.2
83.04977	2.4
83.08612	18.8
85.06535	2.5
85.10188	0.8
91.05466	13.1
93.07030	19.9
95.04951	2.3
95.08594	64.1
96.08961	1.1
97.06524	5.9
97.10155	12.0
99.08081	1.8
105.07018	8.6
107.08575	11.9
108.06284	0.6
109.06488	1.2
109.10145	22.9
111.08071	2.8
111.11707	2.4
119.08569	9.5
121.10139	9.4
123.08048	1.3
123.11679	11.3
125.09626	1.9
131.08566	1.1
133.10104	7.3
135.11673	5.6
137.09602	1.1
137.13243	3.1
145.10104	0.9
147.11644	5.6
149.13228	4.8
151.14845	1.8
153.12749	1.4
161.13223	3.6
163.14819	3.3
165.16386	1.0
175.14818	2.8
177.16309	1.0
189.16330	1.2
197.13567	0.7
207.17487	0.9
245.22691	2.6
263.23666	5.8
273.20981	0.7
273.70706	0.7
317.57547	0.8
328.41083	0.7
337.27313	100.0
338.27594	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	337.9704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65035	8.2
56.96553	41.4
60.05655	11.8
69.03400	8.7
69.71680	11.4
69.72048	12.1
70.06586	21.4
72.72539	7.8
80.05051	7.7
84.04486	16.8
84.08127	14.2
97.57218	7.7
98.97557	100.0
99.97916	12.1
110.97569	11.0
112.78858	7.9
116.98576	42.3
117.99044	7.1
119.01893	14.0
128.98608	11.7
134.99684	8.8
143.09180	6.6
156.97392	7.5
161.02977	7.8
162.99083	8.5
170.99092	22.2
175.11902	9.8
177.00912	19.9
179.02335	7.2
189.00064	16.3
197.00618	8.7
198.98715	8.6
205.00325	15.2
206.00569	12.2
208.01239	8.1
209.00580	9.2
212.02496	10.4
212.93112	11.2
213.00116	28.3
214.00327	7.6
215.01605	14.1
216.98677	38.3
217.04086	9.7
219.01996	17.5
221.48032	7.9
222.05229	11.0
223.04997	20.1
227.01645	13.4
230.03612	8.9
230.52817	7.7
230.94260	9.1
234.99609	39.4
239.06073	14.9
240.06247	9.6
241.05919	8.8
241.98244	9.0
245.03537	12.6
251.97957	9.0
254.93985	31.4
255.01122	23.3
255.03729	9.4
257.97586	15.4
272.94650	66.9
274.02673	16.9
290.95517	18.5
292.03552	10.2
292.06769	10.3
296.94891	16.6
313.97125	15.9
314.95749	47.8
314.99634	12.5
315.03174	19.5
316.03604	24.2
321.05316	9.3
337.17273	18.5
338.07535	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	338.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88627	0.4
53.24845	0.4
71.44769	0.4
77.08184	0.4
87.03636	0.4
89.04780	0.4
97.02856	0.4
98.97571	0.9
112.35604	0.5
116.98580	0.8
129.35088	0.5
178.07675	0.5
179.08517	1.3
180.97791	0.5
189.06998	1.7
190.07739	1.2
191.08528	1.1
194.07269	0.4
195.07896	0.7
197.09621	0.5
202.07697	1.2
203.08618	1.0
204.05800	0.7
204.08020	3.1
205.06433	1.3
206.07228	0.5
207.08020	10.0
208.08629	1.1
209.09615	0.7
210.06715	1.0
217.06409	1.8
218.07312	3.5
218.09253	0.7
219.08020	11.1
220.05228	1.1
220.07576	2.0
221.09558	1.7
223.07481	1.1
225.09091	1.0
229.07607	0.5
232.05199	0.8
232.07518	1.8
233.05940	0.8
233.09563	1.7
234.06668	1.2
234.10330	1.7
235.07492	20.2
235.09624	0.8
236.07971	1.2
236.10516	0.5
237.09157	2.2
238.09944	0.6
246.06769	1.4
247.07526	33.0
247.09885	6.4
248.04764	0.7
248.07797	3.0
249.09074	4.6
250.06010	0.5
250.09874	4.4
251.06932	0.9
253.08539	1.0
254.09227	0.9
260.08273	0.9
261.08902	1.3
262.09863	43.2
263.06961	22.3
263.09811	5.9
264.07135	1.0
264.11722	3.1
264.13928	0.7
265.08499	1.6
265.11633	0.4
265.96286	0.5
266.09354	1.1
267.10156	0.6
268.10898	2.9
269.11530	0.5
274.97336	2.4
277.08481	0.7
278.09265	33.7
278.11795	4.0
279.09644	2.1
279.12491	1.6
280.11041	3.2
281.11661	3.9
292.98575	1.5
293.11649	100.0
294.11951	6.8
295.13177	7.2
304.09598	1.1
305.10324	1.3
307.11862	0.4
308.09106	0.5
310.14304	35.0
311.14685	2.2
320.12717	3.7
323.11383	0.9
335.03943	0.5
338.10107	0.7
338.13739	5.6
339.14038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70662	0.8
57.02393	0.8
62.06083	100.0
69.35155	3.9
79.53133	0.8
90.15786	0.8
95.78035	0.8
97.02880	1.0
115.03891	1.2
122.50090	0.8
125.79568	0.7
126.92923	0.8
148.96370	0.8
156.39575	0.8
248.05408	1.4
339.05557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59742	2.6
55.01869	4.5
58.71953	2.5
59.15418	2.5
67.05498	4.2
67.09447	2.6
69.03414	4.6
70.06588	3.5
70.80868	4.1
79.05482	6.2
81.07043	17.7
85.02894	8.4
85.06397	2.5
95.04935	2.9
95.08598	19.1
97.06516	64.4
98.06846	2.5
105.07056	3.8
105.10818	2.4
110.06039	4.3
110.07170	8.6
113.09624	4.7
119.08617	3.3
123.08063	24.1
125.98309	2.5
136.07620	2.5
138.05473	3.8
141.09082	100.0
145.02817	2.8
152.07118	4.1
159.10175	11.1
162.05486	3.3
177.05496	10.3
180.06566	3.4
262.09839	3.0
279.15814	3.4
293.11685	8.2
303.13437	4.6
322.13470	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01862	4.9
55.05505	2.2
57.03436	9.7
61.02922	14.4
67.05486	6.0
67.75285	2.0
69.03422	25.0
69.07054	6.6
71.04285	1.7
71.04979	12.2
71.08611	3.1
71.16829	2.8
73.02929	3.7
79.05478	3.7
81.03403	20.5
81.07041	4.0
85.02893	100.0
87.04453	4.2
91.03941	7.1
91.05473	3.7
93.07004	4.7
95.08595	64.0
95.09212	3.2
97.02880	26.3
99.04433	5.8
103.03941	2.3
105.07056	3.5
107.08544	2.9
109.02863	31.6
113.09630	70.3
114.09970	1.9
115.05440	1.7
117.07029	2.2
119.08572	3.1
123.83842	1.6
124.07587	3.8
127.03894	23.1
129.06978	4.3
135.07988	2.1
137.05931	1.7
141.09019	2.1
145.02809	1.8
145.04930	36.1
145.06171	3.4
145.06430	2.8
147.11632	2.3
159.10165	23.3
163.06006	4.8
173.05939	2.6
176.14455	2.0
177.05440	3.3
185.05978	2.9
190.04962	32.2
190.89198	1.6
192.02892	7.1
192.63406	1.9
193.03700	13.7
205.08574	1.8
219.08153	2.1
229.67067	1.9
247.07600	2.6
263.07022	2.2
265.08813	1.9
293.08105	13.7
293.11288	3.6
303.04935	7.7
306.16934	4.3
310.10873	3.6
320.03854	2.6
320.18756	2.0
338.10132	4.1
338.19537	17.7
338.23260	2.7
339.13879	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1225
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.04280	1.5
53.60928	1.6
55.01857	3.0
61.74852	1.6
65.03934	3.2
69.06530	10.8
79.88569	1.7
85.02896	7.5
107.04944	6.2
110.03643	3.7
111.04353	1.9
115.05416	2.0
121.02943	1.6
125.05991	3.6
125.55277	2.0
128.06204	2.2
129.06989	2.7
131.04880	2.8
137.05948	2.8
144.05673	2.3
145.06485	4.8
146.07271	2.1
153.05426	8.2
159.08037	9.5
165.07014	4.4
171.04430	4.2
174.06865	2.0
177.07014	2.8
178.07780	6.6
179.08495	3.7
181.06407	2.9
185.05966	10.2
186.06718	8.6
189.06944	11.0
190.07782	13.3
191.08540	15.1
193.06467	5.9
195.08011	3.5
199.03891	3.1
201.06900	2.5
202.07738	6.3
203.08498	5.3
205.06487	7.0
206.07286	5.7
207.08037	13.2
208.08789	12.4
209.09482	2.1
210.06805	2.0
214.06248	17.8
217.06494	4.5
218.07257	19.3
219.08032	39.9
220.08780	19.7
221.05930	17.2
221.09566	5.1
222.06677	3.3
223.11163	3.3
225.09163	3.1
229.06355	2.1
229.08604	37.5
231.08002	2.5
233.05962	5.1
233.09601	5.7
234.06686	5.6
235.07497	32.3
236.08292	31.1
237.08992	5.8
238.06339	3.1
242.75847	1.7
246.06801	6.3
247.07559	22.2
248.08290	7.6
249.05405	9.6
249.09114	8.9
250.06239	5.5
250.09885	3.4
251.10632	54.1
253.08586	5.5
261.09073	8.5
262.06189	5.5
263.06985	19.4
264.07782	60.7
265.08530	21.6
266.05649	2.6
275.07047	9.0
276.07571	2.5
277.08615	10.1
278.09344	12.8
279.10135	39.2
280.10901	4.7
281.08014	20.2
289.08466	1.7
291.06534	3.0
292.07303	9.4
293.08002	10.5
294.08481	2.0
295.09430	2.0
295.16028	1.7
296.10474	7.0
306.08920	5.1
307.09604	100.0
308.10318	27.0
309.07471	3.4
309.10895	2.0
311.12726	70.2
312.13040	4.8
324.09991	10.0
339.12250	92.0
340.12668	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	339.1224
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
51.87126	0.7
55.01841	0.7
56.96548	0.9
57.03431	1.4
60.09042	0.7
65.03922	2.3
67.05502	1.7
69.07081	0.6
71.42657	0.8
79.05466	1.8
81.07032	1.8
83.63747	0.7
85.02886	0.8
90.15562	0.9
91.05450	2.1
93.03391	1.5
93.07024	1.8
95.04958	1.6
98.97556	2.9
105.04527	0.8
105.07037	2.1
107.04924	1.6
107.08558	0.9
109.10141	1.3
110.03617	4.3
111.04401	2.8
115.05449	1.4
116.98598	2.4
125.05965	8.1
128.06219	1.1
129.07037	1.0
131.04903	1.1
133.06389	1.2
134.99677	1.5
135.04468	0.7
137.05946	8.6
143.04872	1.2
144.05740	1.3
145.06468	1.6
149.05948	1.4
153.05453	5.0
159.08000	2.1
161.05956	1.4
164.06194	0.8
165.05453	1.4
165.06935	2.5
171.04390	2.6
172.05176	1.1
175.07533	1.2
176.06181	1.0
177.05391	1.5
177.06911	1.8
178.07770	3.5
179.08536	3.5
182.07147	0.7
185.05899	0.9
186.06737	3.3
187.07616	1.6
189.06956	5.7
190.07751	5.7
191.08524	11.4
193.06496	3.3
194.07288	1.2
195.07941	1.0
198.98883	1.4
201.06944	1.3
202.07776	3.2
203.08527	1.8
204.05621	2.0
205.06377	5.0
206.07173	3.6
207.07957	5.8
208.08795	3.7
209.09685	1.3
210.06815	1.5
211.07515	1.4
213.23438	1.0
215.08446	0.9
217.06476	3.4
218.07242	7.7
219.08005	16.5
220.05177	1.2
220.08820	4.3
221.05971	8.4
221.09538	2.6
222.06676	2.1
223.07378	1.8
225.09032	2.2
229.08502	1.2
231.08029	2.3
232.05176	1.1
233.05913	3.8
233.09564	2.4
234.06732	5.0
235.07472	12.5
236.08246	8.1
237.09027	3.4
238.06245	0.9
239.07007	2.6
245.05922	1.6
246.06509	3.6
247.07477	11.7
248.08258	4.2
249.05396	6.1
249.08994	5.3
250.06128	4.5
250.10008	1.7
251.07024	4.3
251.10583	9.3
252.07750	0.9
253.08472	6.1
256.96353	0.9
260.04639	1.6
261.05460	1.5
261.09058	3.3
262.06223	1.7
263.06952	5.3
263.10672	1.0
264.07794	13.9
265.08539	10.1
266.05911	0.9
266.09070	1.6
267.06622	1.3
267.10104	1.3
274.06287	1.8
274.97452	5.0
275.06970	9.3
276.07721	2.2
277.04984	2.0
277.08539	4.1
278.09207	3.8
279.07043	0.9
279.10132	16.8
280.10666	3.9
281.08069	5.3
282.08923	2.1
289.08557	2.7
291.06470	1.7
292.07224	5.6
292.98535	3.2
293.07986	3.2
293.11292	1.0
294.08737	3.1
295.09744	1.0
296.10324	2.0
306.08786	1.7
307.09564	19.7
308.10245	4.2
309.07498	1.9
309.10849	1.4
311.12775	8.7
320.78198	0.7
321.11008	4.2
324.09891	3.3
339.12201	100.0
340.12604	9.9
359.09265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1225
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
55.01843	4.8
55.05477	5.0
57.07059	2.2
58.07090	1.6
65.03915	2.8
67.05490	7.7
69.03419	19.2
69.07058	11.4
69.16525	9.9
70.56367	1.5
71.04971	2.7
79.05453	5.2
81.03362	2.0
81.07041	13.9
83.04946	1.5
83.08567	3.1
85.02847	5.5
89.03868	1.6
89.38821	1.4
91.05467	9.3
93.07042	8.9
95.04926	2.6
95.08589	9.7
97.02351	1.8
97.02879	22.4
97.06504	2.3
98.22592	2.6
98.97535	3.6
99.04388	5.3
103.05376	1.7
105.07001	16.2
107.04949	7.9
107.08563	10.1
109.06465	3.3
109.10157	9.6
110.03609	2.3
111.04416	2.4
111.08056	2.3
115.03226	1.5
115.03927	18.0
115.05370	4.1
116.98587	2.3
117.03364	3.5
117.06970	1.8
119.04897	1.7
119.08546	9.6
121.06455	3.7
121.10071	5.4
123.07980	1.5
123.11568	2.6
125.05914	5.0
129.06935	2.8
130.04079	1.8
131.04895	2.8
131.08546	1.8
132.05627	2.8
133.06390	2.1
133.10127	10.7
134.03470	1.9
134.99753	1.7
135.04364	2.5
135.08012	3.4
135.11649	3.4
137.05954	11.2
137.09525	1.8
137.13206	1.7
143.08508	2.0
145.02834	8.2
145.06421	4.8
145.10033	2.9
146.03581	1.9
146.07222	2.8
147.08032	2.2
147.11607	1.8
149.05927	3.0
149.09450	2.0
149.13225	3.2
151.03900	2.3
151.11086	4.0
153.05360	6.6
153.12669	1.8
159.06914	1.4
159.08031	12.0
159.11681	1.5
161.05891	5.7
161.09578	12.8
161.13104	1.7
162.03082	2.2
165.06927	4.5
165.09064	3.3
171.04294	3.1
174.06635	2.3
175.07516	2.4
177.05479	16.5
178.07703	4.3
179.08437	4.6
179.10558	3.8
181.06369	2.0
185.05891	7.1
186.06715	7.7
189.06905	6.5
189.09001	3.8
190.02525	2.4
190.07683	10.1
191.08522	12.1
193.06331	4.7
193.15776	1.9
195.07961	2.7
195.10164	1.9
198.98784	1.8
199.03749	1.9
199.07338	2.4
202.07564	4.9
203.08493	3.5
205.04837	9.9
205.06395	7.4
206.07132	3.5
207.08076	11.7
207.09789	3.0
208.08803	8.4
209.09448	2.4
211.07336	1.9
214.06140	12.9
215.06873	2.0
217.06340	2.3
218.07240	12.0
219.06117	2.1
219.08029	32.1
220.05157	2.3
220.08763	16.6
221.05969	12.1
221.09399	5.0
222.06506	3.0
223.07458	3.4
223.10930	1.8
225.08928	2.9
225.11099	1.7
229.08578	31.0
230.08789	2.2
233.05873	3.5
233.09523	3.0
234.06528	6.0
235.07497	26.4
236.08244	26.2
237.08908	7.5
238.06158	2.2
239.07037	1.7
243.06387	6.3
246.06650	6.9
247.07460	18.7
248.08028	4.5
249.05513	8.0
249.08995	11.0
250.06093	5.2
250.09613	2.3
251.06967	4.1
251.10629	41.7
252.10954	2.1
253.08446	5.9
256.96332	1.6
257.05353	1.6
261.05743	1.6
261.09036	7.5
262.06348	2.6
263.06924	15.4
264.07758	44.3
265.08496	18.9
266.05527	2.8
266.08884	1.5
267.10025	2.2
269.07983	2.3
274.97586	8.0
275.06955	7.5
276.07617	1.6
277.08527	9.9
278.05948	2.6
278.09186	14.8
279.10141	33.1
280.10562	5.2
281.08051	16.8
283.13165	2.4
289.08447	2.9
291.06430	2.8
292.07156	9.6
292.98398	5.1
293.08078	11.2
295.09448	1.9
296.10205	3.2
297.11008	3.2
297.28278	1.8
303.23071	2.6
306.08731	3.6
307.09595	85.7
308.10294	20.7
309.07330	3.7
309.10675	2.5
311.12695	62.3
312.12793	3.9
321.10715	3.5
321.24234	3.5
324.09857	7.2
339.08261	19.1
339.12054	100.0
339.25235	3.1
340.12662	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	339.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
58.06585	1.3
67.05487	1.9
70.06580	1.8
71.04974	2.1
79.05476	5.9
81.03398	2.3
81.07053	8.5
82.06570	1.4
83.06072	1.7
84.87942	1.3
91.05460	4.8
93.05752	2.1
93.07040	3.0
94.06548	3.8
95.04954	2.3
95.06086	2.2
96.04491	1.2
96.08090	3.3
97.02917	1.3
97.06521	1.2
98.97557	2.2
99.04428	9.2
105.06992	1.5
106.06561	1.4
107.04957	1.5
108.08098	2.5
109.06490	1.5
110.06018	9.6
113.13829	1.1
115.03902	1.2
116.98603	2.0
119.04874	1.4
122.06004	25.0
122.06850	2.1
123.06781	1.8
124.07573	19.6
126.05476	2.5
133.02827	2.0
134.06003	16.0
136.07555	89.7
137.07899	1.5
140.07036	7.1
145.02824	1.9
147.04391	3.4
150.05489	8.1
152.07043	94.1
153.07346	2.1
153.88933	1.0
154.08609	1.2
158.08163	2.2
161.09789	1.2
163.03868	1.7
164.07039	100.0
165.07358	1.8
166.08669	1.6
168.06534	2.1
170.08110	15.9
172.11258	1.9
177.05403	4.1
182.08109	35.1
196.14464	1.8
200.10660	2.3
214.12158	1.9
232.13240	1.6
242.11858	2.0
260.12793	5.4
274.97421	4.3
285.12347	2.5
292.98483	2.2
297.46170	1.1
303.13336	50.1
304.13776	2.0
321.14352	11.1
339.10632	2.5
339.15494	2.6
340.13733	2.7
340.22275	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52237	0.6
52.84574	0.7
53.81259	0.6
57.07061	2.7
58.06591	2.1
62.98250	11.8
65.30920	0.6
66.35507	0.6
67.05490	1.1
70.06543	1.0
70.51868	0.9
71.08604	0.9
76.83014	0.6
77.96917	0.7
79.05482	1.5
79.23847	0.6
81.07032	1.5
88.07610	1.0
93.06986	0.9
98.97559	2.9
103.98483	1.9
105.07037	0.7
107.08572	0.7
116.98596	2.0
116.99322	1.1
119.08488	0.8
134.99629	1.1
145.02327	1.5
145.10039	0.9
149.02322	3.1
156.81389	0.6
171.11510	0.8
180.97891	0.9
193.04910	6.1
194.05132	0.8
198.98770	0.9
224.65660	3.0
235.84204	0.8
256.26291	1.2
269.11209	5.5
269.32382	0.8
274.97437	4.4
292.98511	2.2
299.18488	1.2
317.19617	3.9
321.17944	10.8
322.18210	1.2
335.20691	3.8
338.96997	0.8
339.19006	100.0
339.27576	11.0
339.77844	4.0
340.19208	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	339.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.1
57.02483	1.1
57.03407	2.1
57.07067	10.2
58.06601	2.7
62.98252	10.7
67.05501	5.3
69.07069	2.0
70.06576	2.9
71.08618	2.2
76.60883	1.4
79.05478	2.8
80.94831	1.7
81.07053	8.4
84.98499	1.3
85.06541	5.1
88.07621	2.7
91.05495	3.0
93.07034	4.3
95.08593	5.5
98.97563	7.5
105.06945	1.4
107.08579	3.9
109.10103	1.8
116.98592	3.4
119.08566	2.5
121.10126	1.8
131.08592	2.1
134.99649	2.4
135.11661	1.3
145.10072	1.7
147.11685	2.9
149.02324	5.2
159.11629	1.2
193.04962	12.0
198.99011	1.9
205.04933	1.2
207.59900	1.3
224.65652	7.6
247.20540	2.3
256.26318	4.2
274.97360	8.9
292.98508	5.6
317.19669	3.4
321.18002	8.0
335.20685	3.2
339.19046	100.0
339.27768	21.6
339.77689	6.7
340.19257	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	339.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16478	0.8
55.05502	4.8
55.26571	0.9
57.03420	2.3
57.07072	2.1
58.06590	2.9
59.15829	0.9
61.00182	0.7
64.32842	0.7
67.05491	3.5
69.07054	5.1
71.44586	0.7
81.07034	4.4
83.08599	2.4
84.89837	0.7
93.07029	2.1
95.08610	4.9
97.10149	1.6
107.08590	1.7
109.10103	1.9
121.10133	2.0
129.06973	1.4
149.13254	0.9
158.46931	0.8
166.47684	0.8
193.05043	1.1
205.05020	4.4
271.10962	1.0
274.97479	1.7
283.10922	1.3
283.16821	1.2
321.27701	1.2
338.34048	1.9
339.19003	100.0
339.28116	5.1
339.34396	2.1
340.19464	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	339.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
57.03420	1.4
57.07068	2.0
61.07858	1.2
67.05495	1.4
69.07085	1.5
70.06561	0.9
79.05500	1.9
81.07041	1.6
83.08620	1.2
93.07076	1.6
95.08591	2.0
98.97580	2.0
105.07031	1.9
107.25777	1.0
109.06476	1.1
116.98611	1.9
119.08561	1.1
121.10165	1.2
134.99654	1.2
135.25307	1.1
149.02365	1.3
193.04953	1.8
200.85699	0.9
226.82491	1.1
274.97528	3.4
283.16876	4.0
292.98508	2.3
339.19034	100.0
339.27689	3.8
340.19385	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	339.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16478	0.8
55.05502	4.8
55.26571	0.9
57.03420	2.3
57.07072	2.1
58.06590	2.9
59.15829	0.9
61.00182	0.7
64.32842	0.7
67.05491	3.5
69.07054	5.1
71.44586	0.7
81.07034	4.4
83.08599	2.4
84.89837	0.7
93.07029	2.1
95.08610	4.9
97.10149	1.6
107.08590	1.7
109.10103	1.9
121.10133	2.0
129.06973	1.4
149.13254	0.9
158.46931	0.8
166.47684	0.8
193.05043	1.1
205.05020	4.4
271.10962	1.0
274.97479	1.7
283.10922	1.3
283.16821	1.2
321.27701	1.2
338.34048	1.9
339.19003	100.0
339.28116	5.1
339.34396	2.1
340.19464	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	339.1928
Annotation	1-dodecylglycerone 3-phosphate
Peak:m/z	Relative Intensity
56.96538	1.9
58.06590	7.1
69.07067	1.2
70.75852	1.3
71.44543	2.0
79.15876	1.4
81.07033	2.3
93.07039	1.7
95.08615	1.5
98.97572	10.2
106.71809	1.4
107.08553	1.4
116.98599	8.0
119.26743	1.5
134.99651	3.8
180.97820	1.9
198.98871	2.6
202.98480	1.2
255.17357	3.5
256.96518	2.7
274.97568	13.3
281.15186	1.4
292.98544	8.1
321.18057	3.2
338.96732	2.2
339.19238	100.0
340.19565	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	339.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.4
55.01851	5.0
55.05502	15.8
57.03428	4.8
67.05502	23.6
69.07063	8.6
71.03076	4.5
71.78036	4.0
79.05482	46.3
81.03406	14.9
81.07045	100.0
83.04973	13.4
83.08604	4.7
85.06514	6.1
91.05473	10.7
93.07019	16.4
95.04940	7.1
95.08585	20.1
97.06541	5.4
98.97582	28.8
99.04408	6.0
99.18484	3.8
105.07023	14.8
107.04945	17.0
107.08598	11.3
108.02592	4.3
109.06498	65.2
109.10146	7.0
111.04441	9.8
111.82600	4.1
116.98611	14.9
117.07054	8.5
119.08601	9.3
121.06487	4.5
121.10147	5.6
122.41226	3.8
123.04430	10.9
123.08044	9.8
129.07018	4.6
131.08531	8.8
133.10124	9.4
134.99625	10.6
135.08044	7.4
135.11633	9.5
137.09630	4.4
143.08560	4.3
145.10127	4.3
147.07944	6.5
151.07503	7.5
159.11633	9.0
161.09622	10.3
177.09169	4.6
177.12752	12.9
179.14241	6.8
180.97870	6.3
187.11127	11.6
198.98909	10.4
209.15248	3.9
233.15381	5.4
233.96588	3.6
243.17465	4.9
253.36510	4.7
256.96530	9.0
261.18451	5.3
271.17023	7.9
274.97501	42.7
289.17859	40.9
292.98587	22.8
303.23071	4.8
321.20514	6.9
321.24149	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	339.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06613	2.6
60.54044	1.0
61.73687	1.1
67.05511	1.5
69.07064	1.8
69.42442	1.1
69.75738	1.5
69.76071	2.3
70.94256	1.2
77.02844	1.2
79.05475	2.1
81.07047	2.4
91.05453	1.6
93.07043	2.5
95.08584	2.0
98.97583	8.2
105.07048	1.5
107.08560	1.3
116.98627	5.6
118.39016	1.1
121.10154	1.9
123.80441	1.2
124.80594	1.0
133.10110	2.1
198.98936	2.6
205.04936	1.6
239.62679	1.3
252.45674	1.4
256.96680	1.2
274.57349	1.1
274.97452	9.3
283.16895	3.7
292.98645	3.7
298.89737	1.2
339.19095	12.7
339.25040	100.0
340.25394	7.0
357.24820	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2525
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03932	2.6
55.05503	20.6
57.03424	7.1
57.07053	7.9
58.06590	24.2
60.94527	1.9
65.03919	4.6
67.05490	91.4
68.05817	2.9
69.07049	12.9
69.23915	12.5
71.04993	2.6
74.44736	2.1
77.31418	2.1
79.05480	50.9
79.05936	2.8
79.26871	1.9
81.07042	100.0
82.07366	2.2
83.08611	6.8
85.06529	3.9
91.05467	27.5
91.15745	2.2
93.07030	62.7
95.04974	7.0
95.08588	93.3
97.06539	4.7
97.10175	4.3
97.82555	2.1
98.97577	9.6
99.08096	3.5
100.56384	2.5
102.13522	2.2
105.07006	20.7
107.08569	40.2
109.06472	4.8
109.10134	52.1
116.98608	8.1
117.06995	9.8
119.08559	20.8
121.06522	2.7
121.10128	48.2
123.11698	17.1
126.78700	2.2
129.06906	2.1
131.08568	17.0
133.10086	17.9
134.99615	4.7
135.11658	33.7
137.09631	2.7
137.13219	6.0
145.10106	21.4
147.11661	20.1
149.13245	19.6
151.11186	4.0
159.11682	19.2
161.13232	5.6
163.14807	7.5
165.12775	2.5
165.57610	2.2
173.13237	14.0
175.11157	3.5
177.12808	2.1
187.14828	3.3
196.25983	1.9
198.98854	3.6
206.53778	2.3
219.20947	5.8
229.19498	24.5
247.17943	4.9
247.20532	94.9
248.20825	5.9
265.21451	3.6
274.97427	17.6
279.09317	2.4
279.23145	2.2
280.23428	9.1
283.16806	20.1
292.98544	8.6
321.24142	8.1
322.27448	5.1
339.19046	4.9
339.25482	14.5
339.30746	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	339.2527
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.41485	3.8
55.05503	17.6
55.99471	3.1
56.96570	3.3
57.03413	4.5
57.07070	6.3
58.06597	20.9
61.45186	3.4
67.05494	96.4
68.49420	3.5
69.07060	22.4
69.67100	6.6
79.05482	39.4
81.07051	100.0
83.04934	5.2
83.08588	9.5
86.09695	36.4
87.10034	10.9
91.05485	26.9
93.07034	60.1
95.04934	5.9
95.08011	7.1
95.08592	94.4
97.06517	5.7
97.10139	5.4
98.97565	33.5
99.08118	6.4
103.23165	3.6
105.07014	26.6
107.08587	38.4
109.06525	7.7
109.10135	57.1
111.11694	4.8
113.09582	4.9
116.98634	18.4
117.06993	12.0
119.08547	25.6
121.10131	44.4
123.11690	18.4
131.08540	20.3
133.10107	23.5
134.99622	5.9
135.11679	32.3
137.13226	4.3
145.10092	26.0
146.11760	5.7
147.11696	17.0
149.09607	3.6
149.13226	19.7
151.11201	10.8
152.11502	6.3
156.55908	3.8
159.11635	18.4
161.13208	5.4
163.14772	4.3
172.94345	3.8
173.13333	17.5
192.33043	3.2
198.98877	8.2
219.09438	3.4
219.21141	8.4
229.19490	19.2
247.20543	86.5
248.20853	4.3
265.21542	6.5
274.97485	36.4
275.98007	3.6
279.21423	14.4
283.16888	14.1
292.98615	18.7
321.24109	9.2
338.96701	3.9
339.25092	16.7
340.28162	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	339.9828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52152	2.0
64.19546	1.9
69.81889	6.1
69.82233	2.7
74.84148	1.9
75.32020	1.9
94.92992	17.3
98.22738	4.1
113.60037	2.1
119.92538	7.6
136.94044	2.5
137.93510	2.7
173.97148	17.6
182.94417	2.3
196.87729	4.2
198.59512	2.1
212.85220	6.9
216.00197	2.3
217.96155	14.8
218.94337	2.1
219.94026	8.6
246.27859	2.7
249.95212	8.0
261.95108	100.0
264.89130	3.2
266.88913	3.7
272.95477	2.2
279.96161	77.9
339.98230	38.1
363.04358	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	340.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56356	0.8
53.10728	0.7
56.96550	0.9
67.05489	1.5
69.03413	1.9
71.04980	22.6
71.05350	1.7
71.06745	1.3
81.07034	0.8
82.59679	0.8
85.02885	2.4
85.06539	6.4
91.05790	2.4
95.04989	1.4
95.06077	1.3
97.02837	1.7
98.97562	1.5
99.04454	3.1
110.07147	1.6
111.00446	0.8
113.05973	3.2
116.98625	2.0
123.04408	9.1
127.07552	10.7
128.07260	0.8
128.23955	0.9
131.07043	2.8
133.02847	9.8
135.04349	1.3
136.06158	2.6
136.07611	1.3
137.07997	0.9
137.90556	1.0
145.08574	49.8
146.08926	1.3
148.06186	3.2
151.03903	3.8
155.07037	2.4
163.03874	1.5
164.07028	1.5
171.15451	0.9
175.02365	6.8
178.08542	1.3
179.03366	100.0
208.08197	6.4
212.97812	1.1
214.97705	1.4
238.05342	1.2
245.06555	3.6
287.07523	11.2
293.89423	3.1
296.14700	1.1
304.13486	0.9
305.08722	2.0
340.13077	3.2
340.22275	1.3
341.08481	1.3
341.11938	4.5
358.08002	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	340.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69490	0.4
69.47203	0.4
70.06557	0.6
70.76392	0.6
78.14897	0.5
91.05767	2.1
110.07162	0.9
110.34254	0.5
123.04413	1.0
128.07047	2.2
133.02786	0.8
145.08562	0.6
174.33553	0.6
178.08601	0.6
179.03365	8.8
213.19395	0.5
224.92145	0.5
230.96008	0.5
340.13629	100.0
341.14316	4.1
359.03006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.1
55.05500	68.9
58.02957	7.8
58.06581	15.8
67.05482	9.0
68.45379	4.3
68.85376	5.4
69.03429	17.9
69.07059	6.9
71.04960	4.6
72.62815	4.8
79.05486	11.1
81.03433	8.2
81.07036	18.3
82.62913	4.2
83.04951	6.3
83.08607	40.0
85.02892	15.0
86.09690	21.3
92.86527	4.5
93.06995	8.8
95.08590	9.1
97.10158	68.6
100.07616	5.2
100.11246	11.7
105.07000	6.7
107.05004	5.4
107.08591	13.0
114.09136	23.8
125.09614	100.0
126.09969	4.7
129.06949	9.8
137.05952	37.5
142.08638	16.7
143.10651	78.6
147.04388	7.0
161.11699	17.5
162.06744	11.1
163.03912	5.9
182.15385	11.7
187.07501	13.3
189.41920	5.0
199.17992	11.9
203.08493	7.4
207.07970	5.6
217.08615	10.3
219.08078	6.2
231.08015	5.2
234.06647	5.8
235.81992	4.7
237.08757	5.9
249.05502	5.2
253.52083	5.6
270.62933	4.6
291.10162	7.1
309.11115	7.7
309.21594	9.0
323.12781	6.2
340.12210	9.3
340.25848	14.9
341.06381	7.5
341.14017	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05501	2.2
58.06592	2.4
61.98300	0.8
67.05499	4.4
69.03407	1.5
69.07061	9.6
69.47091	1.7
69.47485	2.1
70.64516	0.9
71.04983	13.9
79.05479	11.1
81.07065	4.7
83.04978	4.3
85.06528	9.9
86.09692	100.0
87.10049	1.4
91.05466	11.3
93.07031	11.3
95.04951	3.9
95.08582	1.2
97.06531	1.7
99.08100	3.0
100.11238	1.6
101.75533	0.8
105.07015	13.6
107.04932	5.9
107.08585	16.0
107.62135	0.9
109.06503	3.4
111.04417	5.6
116.06168	1.2
117.06997	5.9
119.08563	8.6
121.06499	5.5
121.10126	8.4
123.04417	1.2
123.08060	1.4
125.05959	1.1
128.10684	3.2
129.06981	3.5
130.07755	1.1
131.08554	21.1
132.10187	27.1
133.06487	1.3
133.10219	1.0
135.04427	3.1
135.08035	1.6
135.11656	1.7
137.05984	5.7
137.09619	4.4
145.06471	4.0
145.10112	13.9
147.07996	4.2
147.11650	3.0
149.05983	2.0
149.09593	39.0
153.81996	0.9
161.09616	1.3
163.07477	2.0
163.11163	16.7
165.09100	5.6
165.12830	2.2
167.07037	1.1
167.10654	43.3
173.09560	4.8
175.11084	0.9
179.10680	1.1
187.07446	1.8
189.09120	1.1
191.10631	33.1
192.11087	1.0
196.13382	1.2
206.15305	1.7
209.11690	35.7
209.29750	1.0
210.11993	1.0
210.14912	5.4
238.14314	2.2
248.08212	1.2
252.15747	1.3
253.08391	1.2
256.15353	1.6
258.18491	2.9
271.09641	2.2
276.19583	17.3
291.10138	2.6
294.20602	10.2
295.20953	1.1
304.19022	3.0
322.20062	15.1
340.21133	11.1
341.09967	1.0
341.13684	3.5
343.30814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.9877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	10.8
61.21283	2.6
71.44145	2.7
82.35756	2.3
88.63480	2.6
91.05788	3.6
98.97569	79.0
116.97801	1.9
116.98607	43.8
134.99632	12.7
174.97618	18.1
177.00946	4.1
192.98753	13.5
196.86884	2.8
198.86594	4.9
214.95599	11.4
216.98685	37.6
219.01984	37.7
220.02187	3.9
224.30159	2.4
232.96692	20.1
234.99701	61.8
236.00011	5.2
241.10318	6.6
249.47632	3.0
250.97792	7.5
255.98099	3.1
256.96570	25.5
257.96451	3.0
258.99765	13.2
261.02820	12.3
267.08197	9.6
274.97693	36.5
277.00793	11.3
287.02731	3.2
292.98688	4.3
298.97681	79.6
299.97763	8.4
308.22388	2.5
316.95044	5.0
316.98770	100.0
317.08676	3.0
317.98978	10.2
318.92435	4.4
334.99863	4.2
340.98706	17.9
342.11563	6.4
358.99780	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40030	9.5
69.80198	39.3
83.05004	10.1
85.02892	22.2
91.05775	21.8
91.08722	9.1
98.23380	19.7
98.97575	21.1
117.05486	77.5
121.64259	10.9
123.04343	11.1
145.04913	19.7
149.87798	10.9
163.05937	12.4
179.03369	100.0
192.76816	12.7
195.71352	12.0
195.91669	11.6
216.98701	13.0
219.01764	21.4
237.02876	15.4
340.13736	14.7
341.08603	14.6
341.13736	58.9
342.11252	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	341.0865
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.02366	0.2
55.01860	0.4
58.00749	0.2
62.41003	0.2
69.03416	1.3
69.78830	0.6
71.05011	0.2
77.03890	0.2
81.03379	0.8
81.82629	0.2
84.04490	0.3
85.02886	2.0
87.04463	0.2
89.03881	0.6
95.04964	0.4
97.02879	1.1
105.03376	0.6
109.02851	0.4
117.03378	0.5
123.04404	10.5
124.04735	0.3
127.03904	0.5
133.02832	9.2
134.03143	0.3
135.04393	2.0
137.05980	0.4
140.01575	0.3
142.03186	0.8
145.04965	0.2
151.03876	3.3
163.03860	1.4
170.02693	0.3
179.03355	100.0
180.03693	3.3
210.05891	0.2
233.60210	0.2
238.05312	1.2
243.04298	1.0
341.08932	1.0
341.11496	0.9
359.02713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	0.2
56.80254	0.2
63.02376	0.2
63.80132	0.2
64.05736	0.2
67.05482	0.3
69.03408	0.7
69.40565	1.2
73.04739	0.4
77.03947	0.2
79.16818	0.2
81.03389	0.5
85.02885	1.8
89.03932	0.3
91.05768	0.3
93.31815	0.2
95.04942	0.3
97.02871	1.0
99.04433	0.3
105.03368	0.7
109.02862	0.5
117.03332	0.4
123.03502	0.5
123.04411	10.5
127.03879	0.3
133.02832	8.9
134.03175	0.3
135.04355	1.3
135.59973	0.2
137.05922	0.7
151.03889	3.6
163.03856	0.6
179.03362	100.0
180.03676	3.3
195.35577	0.3
246.53923	0.3
255.42677	0.3
341.08539	0.9
341.12115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0865
Annotation	AESCULIN
Peak:m/z	Relative Intensity
50.49731	0.1
53.03937	0.2
55.01862	0.2
57.03423	0.3
58.17162	0.1
61.02911	0.5
62.36567	0.2
67.05486	0.4
68.28596	0.2
69.03418	1.1
71.04974	0.2
71.43649	0.2
73.02899	0.2
77.03916	0.2
79.05480	0.4
81.03387	0.5
81.07044	0.2
85.02899	2.3
87.04457	0.2
89.03906	0.4
91.05468	0.6
95.04944	0.4
97.02891	1.0
99.04479	0.3
105.03379	0.8
105.07009	0.4
107.04927	0.3
109.02855	0.4
109.06495	0.2
115.05449	0.2
117.03376	0.4
122.03677	0.2
123.04418	10.0
127.03891	0.6
129.06937	0.2
131.04887	0.2
133.02837	9.0
133.06465	0.3
135.04391	1.8
137.05965	3.7
145.04884	0.2
147.04317	0.3
147.07941	0.2
151.03894	3.7
151.07512	0.2
161.05949	0.7
162.05511	0.2
162.06741	0.3
165.55736	0.2
167.07007	0.2
171.44269	0.2
174.06781	0.2
175.07541	1.0
179.03371	100.0
180.03706	3.1
187.07504	0.9
189.09023	0.2
203.08600	0.2
205.04945	0.6
211.07527	0.3
217.08591	0.4
219.08026	0.4
231.08067	0.4
238.50606	0.2
239.07066	0.3
247.07436	0.3
248.08250	0.3
251.10687	0.3
262.96857	0.2
263.10666	0.3
265.08524	0.2
271.09583	0.5
279.09888	0.3
291.10141	0.9
308.10477	0.2
309.11121	0.4
311.12695	0.4
323.12799	0.6
326.11505	0.2
341.09293	1.0
341.15430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1019
Annotation	Cornigerone
Peak:m/z	Relative Intensity
55.01868	46.8
55.05486	2.1
56.00077	1.3
56.72696	1.2
57.03412	1.2
58.06592	2.2
65.03944	4.5
68.12351	1.4
69.03445	1.5
70.00594	3.3
79.05482	3.7
81.03391	2.2
81.07051	4.4
83.04955	2.3
85.02901	2.3
91.05466	5.1
93.03395	2.1
93.07025	2.2
95.04952	3.0
95.08626	2.6
96.02087	3.0
101.95127	1.5
103.05437	1.8
105.06998	8.7
107.01329	1.8
107.04935	3.0
107.08594	2.3
111.04439	14.6
115.05431	8.8
121.06467	2.5
123.04393	1.7
127.00032	4.0
128.06195	3.7
129.06960	3.8
131.04948	4.2
131.08569	2.0
133.06482	20.4
133.69627	1.6
137.05914	10.2
139.03868	5.8
141.06949	1.4
143.04930	2.0
144.05638	2.3
145.06493	11.3
146.07253	2.0
152.06248	2.0
153.05499	3.3
153.06981	5.9
154.07761	2.8
155.04893	1.9
155.08450	2.3
159.04344	3.2
159.07993	2.1
161.05962	27.4
164.06169	1.7
165.06931	10.2
167.03409	5.6
167.07114	2.1
167.08571	2.3
169.06514	2.0
170.03548	2.2
171.04315	2.4
171.05623	2.4
171.08037	3.0
172.05202	2.9
173.05969	11.1
174.06747	10.9
175.07538	6.2
177.06958	2.8
178.07726	4.7
179.08493	3.0
181.06456	13.1
182.07202	8.5
183.08067	3.1
184.05246	2.6
185.06027	2.5
186.03093	2.0
187.03900	2.8
187.07521	6.3
189.05446	47.2
189.07089	3.6
192.05713	5.3
193.06447	5.3
193.15598	1.8
194.07246	4.1
195.08081	3.6
196.05057	1.6
197.06047	2.3
197.09636	1.8
198.06662	1.7
199.07587	6.5
201.05461	22.5
201.09201	1.6
202.06168	12.9
202.07758	1.7
203.06964	7.4
205.06445	4.2
206.07265	3.0
207.07999	4.8
209.05951	9.7
209.09575	1.8
210.06746	14.5
211.07474	7.4
213.05499	4.2
213.09055	3.1
217.06548	1.6
217.08540	2.3
220.05200	7.4
221.05896	15.9
221.09590	1.9
222.06619	4.0
223.07494	5.0
224.08318	7.1
225.05484	3.0
225.09055	5.9
226.06226	5.0
227.06970	16.7
233.05940	1.7
234.06821	3.9
235.07512	11.9
236.08182	3.0
237.05385	15.9
237.09096	2.7
237.14650	6.5
238.06233	10.1
239.06931	7.5
241.08537	4.9
243.06526	6.5
248.04588	2.6
249.05432	14.1
249.09058	3.0
250.06139	7.5
251.07076	8.7
252.07797	12.2
253.08542	38.2
254.08868	2.7
255.06482	22.7
255.15619	2.6
256.07147	4.7
262.06235	2.4
263.06995	25.7
264.07614	4.1
265.04944	16.9
265.08572	4.0
266.05673	6.4
267.06485	16.6
267.10065	6.2
268.06949	1.8
269.08188	4.1
270.08783	5.4
271.09546	3.2
277.04926	4.9
277.08340	3.9
279.06403	5.9
280.07278	17.4
281.08084	30.9
281.11230	3.0
282.08759	6.4
283.06055	10.9
283.09021	2.2
285.11133	7.6
286.08463	1.9
287.09070	7.0
291.06464	6.8
291.09653	2.7
292.07211	5.1
293.07785	1.9
294.05292	2.6
295.06241	3.1
295.09625	16.5
297.11087	1.6
297.16641	3.5
298.08292	8.5
308.06720	1.9
309.07550	45.7
309.11066	5.3
310.08170	13.6
311.08951	2.0
313.10672	23.4
314.10986	1.9
323.09146	30.9
323.12704	1.1
323.18802	1.7
324.09503	2.1
326.07767	2.0
326.11182	1.7
329.07263	1.7
341.10132	100.0
341.15515	42.6
341.19681	1.9
342.10379	7.7
342.16699	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40356	0.4
67.05488	1.8
68.99772	0.7
74.93770	0.4
79.05471	1.1
81.07036	1.7
83.01332	1.2
91.05449	3.3
93.07035	3.1
95.04952	0.7
95.08603	5.0
103.05450	1.4
105.07028	2.5
107.08572	1.9
109.06507	0.7
109.10130	2.8
115.05458	1.0
117.06990	1.0
119.04932	0.5
119.08557	1.1
121.06483	4.9
121.10118	1.2
123.08052	3.0
126.83732	0.4
128.10802	0.4
131.04909	6.2
131.08543	0.7
133.02922	0.5
134.03603	1.0
137.09586	4.6
145.06462	0.7
147.04428	1.1
149.02293	0.5
149.05960	3.2
149.09608	1.6
159.04359	3.2
161.05946	1.4
162.03094	11.5
162.06711	0.4
163.03851	0.7
163.07518	1.1
165.05490	1.1
171.04443	0.6
173.05991	1.2
174.03047	0.6
177.05479	2.2
185.02313	0.7
189.05408	2.4
190.02579	17.9
191.03067	0.8
191.07027	1.1
192.09290	0.6
193.04863	2.1
199.03896	1.3
202.02585	1.0
203.03264	0.8
203.07043	0.8
204.04173	0.8
205.04933	100.0
206.05270	3.1
207.06480	0.6
213.01959	0.5
217.04947	1.2
219.03200	2.4
219.06485	17.9
220.06847	0.5
221.04454	2.2
230.02095	1.3
231.06371	2.4
233.05684	0.6
233.08044	10.4
235.05910	0.6
243.06514	1.8
245.04410	4.6
245.07928	2.2
247.05995	1.9
249.07368	0.6
257.08240	0.7
263.10492	0.6
265.08270	0.5
271.09613	2.0
283.09631	1.8
285.11078	0.9
293.08044	0.7
299.09378	0.8
299.12726	4.9
313.14258	9.7
321.53458	0.5
322.02997	0.6
323.12732	7.0
341.13797	12.4
342.14108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
64.68304	0.4
66.27566	0.4
67.05476	1.1
69.03419	0.8
69.64378	1.2
71.04944	0.5
77.03932	0.4
78.20645	0.4
79.05473	0.9
81.07034	0.9
83.01335	0.8
91.05466	2.4
93.07040	3.2
95.04942	0.9
95.08589	4.1
98.23347	0.7
103.05455	1.7
105.07009	2.2
106.04169	0.7
107.04920	0.9
107.08552	1.7
109.06530	0.7
109.10113	1.7
119.04945	0.9
119.08542	0.6
121.06486	6.4
121.10121	1.0
123.08045	1.8
128.06161	0.4
131.04907	5.6
131.08549	1.1
133.02843	0.5
133.06436	0.8
134.03609	1.2
137.09587	5.4
141.06947	0.4
145.06470	0.7
147.04349	1.0
149.02240	0.4
149.05997	2.4
149.09608	1.5
159.04393	1.9
161.05934	2.0
162.03101	10.8
163.03822	0.4
163.07516	0.8
165.04340	0.4
169.69453	0.4
175.07588	0.6
177.05482	2.8
189.05461	2.2
190.02577	19.2
191.03111	0.7
191.07013	0.8
193.04926	1.6
195.08028	0.8
199.03864	0.8
202.02632	0.7
203.03427	0.8
203.06947	0.7
205.04936	100.0
206.05295	3.4
213.05409	0.7
217.04918	1.1
219.02989	1.0
219.06494	15.9
220.06795	0.7
229.04935	0.9
230.02098	1.2
231.06456	2.2
233.08038	7.8
239.07095	0.5
243.06516	1.4
245.04424	3.4
245.08005	2.7
247.06015	1.4
249.07608	0.6
253.08566	0.8
257.08121	1.1
269.07977	0.5
271.09637	3.9
281.07971	0.6
283.09613	2.4
285.08023	0.5
285.11169	1.8
293.07684	0.5
297.11172	0.6
299.12817	4.7
309.07584	0.8
313.14301	8.3
314.14822	0.5
323.09119	0.7
323.12668	6.4
341.10110	1.2
341.13782	13.3
342.10181	0.5
342.14075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
63.45169	0.3
67.05479	0.4
68.99744	0.6
69.03411	0.9
69.67430	1.2
70.31046	0.3
79.05460	0.4
81.07023	0.5
83.01343	0.7
83.04977	0.8
91.05451	1.6
93.07014	2.1
95.04906	0.9
95.08594	0.7
103.05438	0.8
105.07005	0.9
106.04100	0.3
106.91415	0.3
107.08582	0.9
109.05077	0.3
109.06526	0.7
109.10136	1.2
119.04904	0.7
121.02821	0.4
121.06481	5.3
123.08013	0.6
131.04898	2.0
133.10199	0.3
134.03598	1.3
136.08830	0.6
137.05934	0.3
137.09570	1.4
139.18686	0.3
147.04376	0.7
149.05934	3.3
149.09593	0.5
162.03098	10.0
163.03578	0.3
177.05455	2.3
178.22609	0.3
185.02408	0.4
186.34271	0.3
190.02586	18.0
191.03008	0.5
193.04895	0.4
199.07643	0.4
205.04933	100.0
206.05267	3.4
217.04982	0.4
219.06496	1.2
226.04462	0.3
229.04996	0.4
245.08084	1.2
257.07932	0.9
259.09637	0.6
271.09555	1.5
283.09656	0.5
299.09372	0.5
299.12766	1.2
307.09787	0.3
313.14301	1.2
323.12628	2.7
341.13782	15.7
342.14096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone
Peak:m/z	Relative Intensity
55.05491	0.7
67.05481	1.8
69.03115	0.6
69.03419	6.9
69.07047	0.8
69.77762	2.1
79.05464	1.7
81.07034	1.1
83.01318	1.4
83.93848	0.6
91.05457	4.2
93.07026	5.0
95.04942	2.8
95.08583	2.8
98.23411	1.2
103.05406	0.7
105.07015	4.5
107.04945	0.6
107.08563	2.9
109.10125	2.2
115.05401	1.1
117.07008	0.7
119.08522	1.0
121.06488	7.8
121.10125	2.4
123.08052	2.5
129.06958	1.8
131.04944	4.1
131.08524	1.9
133.02817	1.3
133.06445	0.9
133.10092	1.0
134.03604	0.9
135.08026	1.3
136.08826	1.7
137.05960	1.4
137.09576	2.9
148.05257	0.7
149.02306	1.4
149.05951	2.9
149.09575	3.0
155.08461	0.8
157.06424	1.2
159.04388	1.3
161.05930	2.7
162.03098	9.9
163.03888	0.9
171.04398	1.4
177.05444	2.8
185.05969	2.0
187.03815	0.7
189.05423	2.5
190.02588	19.4
191.02869	1.0
193.04967	4.0
195.08063	1.2
199.03870	2.1
202.06285	0.8
203.03310	1.5
203.06935	0.7
205.04929	100.0
206.05266	4.0
207.11812	0.9
211.07477	1.8
213.05467	6.0
215.03403	1.0
217.04912	2.4
219.02957	1.4
219.06462	9.2
221.04277	0.9
221.81961	0.6
222.06723	0.7
225.09006	0.8
229.04985	1.8
230.05713	1.4
231.06439	1.6
233.08022	2.0
239.07022	1.4
243.06413	3.8
245.04424	1.4
245.08023	12.7
255.06555	2.0
257.08044	3.7
259.09760	0.6
263.10608	1.1
264.11362	0.7
269.08008	1.5
271.09592	16.7
272.09915	1.0
279.13605	0.8
281.08136	1.9
283.09610	1.5
285.07498	0.9
285.11026	0.7
293.08041	1.0
297.11185	1.4
299.09058	2.9
299.12711	3.7
309.11053	0.8
313.14233	1.8
323.08987	1.1
323.12680	17.4
341.13773	25.0
342.13904	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01870	1.3
55.05501	2.1
56.46926	0.8
57.03412	0.9
58.06572	2.6
65.03945	0.8
67.05501	1.8
67.89649	0.7
69.03409	1.8
69.07060	1.5
70.06581	1.4
71.04994	4.3
72.08140	2.9
79.05484	3.6
81.07041	6.9
86.09697	1.2
91.05419	4.0
93.07035	3.1
94.04185	2.7
95.04976	2.7
95.08588	2.4
97.02855	1.2
98.22609	1.6
100.11230	1.0
103.05460	2.3
105.03345	1.2
105.07005	3.2
107.04933	3.0
107.08598	3.0
109.06514	4.9
109.10139	2.9
111.04447	1.4
115.05439	3.3
117.07015	2.8
119.04875	1.9
119.08571	1.7
121.06424	1.3
121.10137	2.3
122.03622	8.6
123.04417	1.1
123.11692	1.5
125.05966	1.4
125.09615	1.2
128.06207	2.0
129.06979	8.4
131.04915	4.5
131.08522	1.4
132.05606	0.9
133.02853	5.0
133.10109	3.3
137.05959	100.0
137.09575	2.2
138.06310	1.8
143.04890	2.5
143.08540	1.3
144.05673	2.5
145.06474	2.6
145.10112	1.1
145.21222	0.7
146.03577	1.2
147.04404	2.6
147.08012	1.3
149.05911	3.9
149.09627	1.1
149.13254	0.9
151.03888	3.2
151.07501	5.5
153.05447	1.4
156.45311	0.8
157.06464	7.2
159.04404	0.8
159.08073	1.2
160.05139	5.5
161.05927	4.4
161.09583	0.9
163.03870	1.3
163.07481	4.0
163.11188	0.9
165.05434	4.4
165.06888	1.5
167.07059	1.3
168.05685	1.1
172.05171	3.1
174.06758	6.6
175.07523	18.8
177.05435	5.0
177.09065	2.0
179.06947	2.4
181.05029	0.8
181.06450	1.2
187.07510	22.2
188.08076	1.4
189.07382	1.6
189.09058	11.4
190.07764	1.0
191.07028	1.3
191.08516	4.0
193.10251	0.8
196.05171	5.7
197.05861	1.8
199.07510	4.0
202.07707	5.8
203.06781	1.2
203.08549	17.3
205.06476	2.6
205.08438	1.2
206.07143	0.9
207.08116	0.9
208.08925	0.9
210.06776	0.9
211.07498	20.6
212.08043	1.1
213.05437	2.4
213.09045	0.9
215.08621	1.1
217.06625	1.4
217.08569	12.9
218.07112	1.1
219.08043	9.2
220.08794	7.3
221.05916	2.1
221.09494	2.2
222.06584	1.0
225.09029	1.5
227.06999	6.2
228.07715	1.0
230.07225	0.9
231.08008	20.0
232.08678	3.9
233.05930	3.3
233.09470	1.6
234.06578	1.6
235.07414	1.7
236.08282	2.7
237.09100	2.1
239.07010	15.6
240.07724	6.1
241.04922	1.2
241.08440	1.1
247.07539	6.7
248.08307	25.4
249.05522	1.1
249.09024	4.6
250.06171	1.1
250.09866	1.4
251.10677	4.8
253.08559	2.5
254.09413	1.1
255.06487	6.8
256.07288	6.3
259.07440	9.6
260.08154	3.0
261.05539	0.8
261.09012	2.0
262.09860	1.4
263.07346	1.8
263.10641	25.2
264.07748	2.3
264.10892	1.2
265.08496	4.6
265.95013	0.8
268.07193	2.2
270.08853	9.5
271.09616	31.2
272.09961	1.6
276.07788	11.9
277.08530	5.5
279.10080	9.3
280.10724	1.6
281.08163	2.0
281.11713	2.2
282.08795	1.6
283.09604	6.6
285.07446	1.0
291.10104	51.3
292.10703	5.2
293.07974	5.6
293.11203	1.6
294.08530	0.9
295.09576	1.9
295.13113	0.9
296.10492	4.9
297.11087	4.4
299.09009	1.0
305.11642	1.0
308.10330	6.6
309.11072	4.1
311.12689	8.8
312.13013	0.8
313.14264	3.0
323.12744	28.1
324.13147	1.6
341.13770	30.7
341.19656	1.4
342.13834	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
52.38996	1.0
58.06592	3.6
65.03953	1.9
66.04751	1.1
70.68687	1.5
71.04990	4.5
79.05478	2.1
81.07040	3.6
85.02920	1.4
86.09691	1.0
91.05452	6.3
93.03386	1.2
94.04175	3.4
95.04960	1.6
100.16434	1.0
103.05457	2.2
105.07007	1.4
107.04926	2.5
108.94176	1.0
109.06516	3.1
115.05449	1.7
117.07027	1.9
119.04947	2.2
122.03638	9.1
125.05986	1.2
128.06204	2.6
129.06967	8.3
131.04901	4.8
131.08447	1.0
132.05753	1.3
133.02835	8.0
133.06461	1.7
137.05957	100.0
138.06326	3.2
143.04913	2.1
144.05719	2.4
145.06470	1.8
146.07176	1.2
147.04410	2.2
149.05917	4.6
151.03873	3.0
151.07510	6.1
153.05342	1.6
157.06459	7.0
158.07211	1.2
160.05240	4.7
161.05971	4.7
161.61200	1.0
163.03926	1.0
163.07513	4.0
164.04640	1.5
165.05447	5.3
168.05714	2.2
172.05124	5.4
174.06731	7.2
175.07520	24.5
177.05486	4.0
177.09077	3.4
179.03464	2.0
179.05473	1.1
179.07072	3.4
181.06558	1.3
187.07520	26.5
188.08191	1.3
189.07137	2.1
189.09106	12.1
190.07721	1.6
191.07034	1.5
191.08566	4.0
196.05191	8.5
197.05930	2.2
199.07541	4.4
202.07784	3.9
203.08496	17.3
204.09003	1.2
205.06483	3.9
205.08487	1.7
207.08047	1.0
208.08882	1.5
211.07494	21.8
211.09496	1.1
212.04645	1.9
213.05443	3.0
217.08556	11.6
218.07211	1.3
219.08000	9.9
220.08797	7.5
221.09427	1.4
225.05374	1.7
227.06950	6.8
228.07680	1.8
231.08012	21.8
232.08769	4.1
233.05937	4.1
233.09494	1.7
235.07426	1.7
235.11255	1.2
236.08321	2.6
237.09036	2.7
239.06966	16.5
240.07843	7.3
241.04938	2.3
241.08295	1.4
247.07515	8.2
248.08295	25.6
249.08992	4.1
251.10625	4.0
253.08499	2.3
254.09268	1.6
255.06488	7.7
256.07248	5.2
259.07443	8.1
260.08261	4.2
261.09003	3.5
262.09824	1.5
263.07697	1.8
263.10651	19.4
264.07770	3.0
264.10959	1.7
265.08499	7.5
268.07309	4.6
269.08066	2.0
270.08777	12.4
271.09592	32.4
272.10013	1.7
276.07834	12.8
277.08536	5.5
278.09036	1.2
279.10132	10.6
280.11026	1.4
281.08044	3.2
282.08884	1.9
283.09540	9.2
291.10107	55.4
292.10556	5.4
293.08167	6.6
293.11176	1.7
294.12219	1.3
295.09552	1.6
296.10468	5.9
297.11215	5.0
305.11484	1.6
308.10339	5.8
309.11182	3.3
311.12735	12.0
313.14459	2.5
323.12714	30.3
324.12927	1.7
341.13605	22.3
342.13492	1.4
342.17014	3.3
360.75253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01858	2.3
58.06578	3.0
65.03921	1.8
67.05495	1.3
68.99777	0.8
69.03418	1.3
69.26377	4.0
77.03907	0.9
79.05491	5.0
81.03368	0.9
81.07015	2.2
83.04959	2.9
85.02894	1.1
86.09669	1.0
89.03855	0.9
91.05450	14.2
92.06268	0.9
93.07027	2.0
94.04160	3.4
95.04953	3.4
95.08607	0.8
99.04404	0.9
102.04661	2.6
103.05439	6.8
105.03346	2.9
105.04485	1.0
105.06342	1.4
105.07011	17.1
106.04124	0.8
107.04929	3.3
107.08549	1.1
109.06484	3.0
109.10139	1.2
115.05435	8.1
117.07000	3.7
118.04124	1.4
119.04926	11.9
119.08572	5.9
121.06516	4.3
121.10107	1.0
122.03633	7.6
123.04403	1.2
128.06209	2.5
129.06995	5.1
130.04173	1.6
131.04926	6.7
131.08565	1.5
132.05664	6.4
133.02797	1.3
133.06473	11.3
135.04385	1.5
137.05951	100.0
138.06281	3.1
138.09035	1.1
141.06953	0.9
143.04924	1.1
143.05959	1.3
144.05675	1.7
145.06482	3.3
146.03587	3.7
147.04379	10.1
147.08023	6.2
149.05978	2.9
151.03925	1.5
151.07558	6.1
153.05322	0.9
155.04869	1.3
157.06412	2.6
159.08009	3.3
160.05144	3.7
161.05946	38.5
161.09567	1.7
162.06725	6.6
163.03870	3.2
163.07471	1.0
165.06932	1.9
167.07001	2.4
171.08192	1.0
172.05133	3.6
174.06685	1.2
175.07515	58.4
177.05467	1.6
177.06949	1.3
177.09058	4.8
178.07741	1.8
179.06972	3.7
179.08432	1.8
181.06468	1.8
185.05946	1.4
187.05974	1.2
187.07538	20.1
189.07065	1.5
189.09074	4.4
190.07718	2.7
191.07010	1.2
191.08517	6.5
193.06474	1.7
194.07234	2.0
195.07980	1.4
197.05940	2.0
199.07483	2.4
202.07710	3.6
203.08525	8.2
205.06419	3.5
206.07303	1.4
207.08009	3.8
209.09503	0.9
211.07385	1.8
217.06529	1.4
217.08441	5.6
218.07245	2.2
219.08017	11.0
219.13643	1.1
220.08751	2.8
221.05922	2.1
221.09497	2.2
222.06836	1.6
223.07446	2.2
231.08076	9.5
232.08757	2.1
233.05925	1.2
234.06760	2.0
235.07503	4.6
236.08231	2.3
237.09015	4.0
239.06973	1.5
247.07472	6.9
248.08226	7.0
249.08998	4.1
250.06129	1.3
251.06992	1.2
251.08060	0.9
251.10567	6.9
253.08473	1.8
254.09392	1.1
259.07440	5.2
260.08298	2.3
261.09076	2.5
262.09650	1.0
263.07071	2.4
263.10620	5.7
264.07709	1.5
265.08463	6.7
266.09262	1.3
267.10178	1.7
276.07767	4.2
277.05151	1.4
277.08472	2.9
279.10065	9.3
280.10556	1.5
281.08005	2.9
281.11673	4.6
282.08850	2.0
291.10095	12.5
293.07968	1.8
295.09540	2.5
296.10361	1.8
297.11118	3.5
308.10284	1.5
309.11151	38.3
310.11679	2.8
311.12646	6.2
312.12900	0.9
313.14218	1.4
323.12720	7.0
326.11411	1.4
327.12277	0.9
341.13736	27.6
342.13742	1.4
342.17325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01875	2.8
58.06576	2.5
60.67688	1.0
65.03933	1.2
79.05508	5.9
81.07062	1.8
85.02886	1.2
91.05466	17.8
93.07001	1.5
94.04162	3.3
95.04971	3.2
98.23503	3.0
98.77456	1.2
103.05479	7.5
105.03371	3.8
105.07018	15.5
106.18444	1.1
107.04982	5.6
109.06508	3.5
114.09169	2.0
115.05465	6.9
117.07005	3.8
118.65459	1.1
119.04940	16.5
119.08563	6.4
121.06512	5.4
122.03633	8.4
128.06186	4.2
129.06998	7.0
130.04102	3.9
131.04932	7.5
132.05731	6.0
133.06474	12.9
135.04413	1.7
136.08849	2.2
136.82103	1.2
137.05969	100.0
138.06253	2.4
143.04977	1.6
145.06450	4.2
146.03609	5.0
147.04385	11.0
147.08055	7.0
149.05998	2.5
149.96640	1.2
151.03951	2.2
151.07564	7.4
157.06454	3.4
159.08006	3.2
160.05196	5.9
161.05969	43.9
162.06734	8.7
163.07504	1.8
165.06906	1.3
166.07806	1.6
167.07047	1.8
172.05197	4.1
173.14883	1.2
174.06886	1.6
175.07532	61.9
176.07835	2.1
177.05478	1.4
177.09077	4.0
178.07790	2.1
179.07033	4.7
179.08440	1.1
185.05899	2.9
187.07533	17.4
189.06989	1.6
189.09079	4.2
190.07776	2.7
191.08527	6.2
194.07256	2.1
199.07532	2.0
202.07747	4.9
203.08560	9.6
205.06453	3.0
206.07242	1.3
207.08023	2.5
216.34668	1.2
217.08508	7.0
218.07115	2.0
219.08046	12.6
220.08742	3.8
221.05826	1.3
221.09593	2.0
222.06688	2.4
225.08821	1.4
231.08107	10.2
232.08710	2.1
233.05939	2.3
233.09560	1.8
234.06651	1.8
235.07556	3.1
236.08226	1.8
237.09058	4.2
247.07584	6.4
248.08388	8.1
249.09097	4.4
251.07027	1.4
251.10666	5.6
253.08502	1.7
254.92293	1.5
259.07532	7.4
260.08197	2.9
261.09088	2.0
263.07104	1.9
263.10666	7.5
264.07721	2.4
265.08588	5.0
267.10245	1.9
276.07761	4.8
277.08673	2.5
279.06949	1.4
279.10129	6.5
280.10855	2.2
281.11655	3.5
291.10132	12.0
293.07996	1.9
295.09714	1.5
296.10419	2.7
297.11191	1.8
308.10461	2.0
309.11182	52.2
310.11728	3.5
311.12469	5.6
313.14279	1.5
323.12854	10.3
326.11182	1.6
341.10352	2.0
341.13843	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	341.1381
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
50.99468	0.8
53.99263	0.8
55.01867	1.6
55.74760	0.8
69.19906	2.0
69.20309	3.6
69.96505	0.8
71.44905	0.8
77.30481	0.9
79.05482	5.6
81.07045	1.4
85.02885	1.1
91.04935	1.4
91.05465	17.4
94.04169	3.2
95.04951	2.2
95.08587	1.2
102.04688	1.4
103.05464	8.1
104.06281	1.1
105.03365	3.5
105.07013	16.9
107.04938	3.3
109.06519	3.0
115.05412	8.6
117.07027	3.9
118.04133	1.5
119.04926	12.4
119.08554	6.8
121.06513	4.3
122.03635	8.2
123.04393	1.1
128.06206	4.3
129.07021	5.5
130.04147	2.8
131.04951	5.6
131.05739	0.9
131.08510	1.1
132.05714	4.8
133.06480	13.8
135.04370	1.3
135.08047	1.3
136.08856	1.0
137.05957	100.0
138.06319	1.8
143.04907	1.4
143.06024	1.7
144.05701	1.9
145.06491	3.3
146.03632	3.4
147.04382	10.7
147.08029	8.1
149.05962	2.7
151.03899	1.2
151.06444	1.2
151.07541	8.1
153.06952	1.4
155.04884	1.3
157.06462	3.1
159.04395	1.1
159.08023	2.8
160.05191	4.4
161.05959	40.0
162.06749	7.1
163.07471	1.4
165.05481	1.1
168.05696	1.2
172.05197	6.1
174.06760	2.0
175.07518	63.6
176.07768	2.1
177.06775	1.3
177.09033	4.8
178.07797	2.0
179.07014	3.4
179.08432	0.9
185.05968	1.9
187.07538	17.5
189.09044	4.2
190.07747	1.4
191.06961	1.4
191.08505	6.5
195.07930	1.4
199.07524	2.6
202.07762	3.8
203.08525	9.6
205.06485	2.0
206.07228	0.9
207.08080	3.1
208.08760	1.1
209.09642	1.3
211.07474	2.2
217.08551	5.7
218.07193	1.2
219.08029	12.2
220.08771	3.7
221.05838	1.1
221.09471	1.6
231.08015	10.3
232.08823	2.0
233.06000	1.3
234.06682	1.5
235.07501	3.2
235.11139	1.4
236.08295	2.1
237.09138	3.5
238.09845	0.8
239.06996	1.1
247.07518	5.8
248.08250	7.5
249.09027	2.7
251.10664	6.9
252.11272	1.0
259.07541	7.8
261.09033	1.5
263.06854	1.1
263.08023	0.9
263.10675	7.2
264.07681	2.1
265.08624	4.3
267.10062	1.0
271.09628	3.1
275.07217	1.2
276.07809	3.5
277.08636	1.5
279.10178	7.4
280.10944	0.9
281.07974	0.8
281.11664	2.5
283.09686	1.2
291.10123	14.8
292.10580	1.9
293.08188	1.3
295.09576	0.9
296.10358	2.1
297.11075	1.8
308.10370	2.6
309.11163	35.9
310.11630	2.1
311.12683	7.6
323.12714	8.3
341.13791	25.2
342.13937	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29480	0.9
55.01869	9.2
55.05505	1.4
55.74204	1.0
67.05518	1.0
69.07063	1.3
70.02978	1.9
71.20582	1.0
79.05493	3.7
81.07040	1.9
90.27231	1.0
91.05431	1.1
92.84218	1.1
93.07074	2.0
95.04932	0.9
95.08607	1.8
105.07035	3.6
107.04933	1.2
107.08575	1.3
109.10177	1.1
111.04446	2.4
115.05442	3.0
124.05323	1.0
127.00050	9.1
129.07033	1.6
131.04869	1.4
133.06522	2.8
137.06009	4.3
139.03911	1.5
145.06491	1.8
147.14563	1.2
149.13292	1.2
159.04497	1.8
161.05977	6.4
165.07030	3.2
167.07072	2.8
173.05965	2.1
174.06779	2.2
175.07527	2.1
178.07744	1.3
181.06572	3.0
183.08165	1.2
185.05844	1.2
187.07570	2.7
189.05438	7.0
189.09160	1.5
193.15613	3.0
194.07245	1.1
201.05478	3.3
202.06186	2.3
205.06500	1.6
209.06003	2.3
210.06792	2.5
217.08438	1.4
220.08821	1.2
221.06038	2.7
221.09734	1.5
222.06702	1.0
224.08244	2.0
225.09111	1.4
227.07089	3.1
231.08078	1.5
234.06778	1.5
235.07553	2.8
237.05464	2.6
237.14580	16.2
238.06204	1.5
239.07036	3.1
248.04851	1.5
249.05498	2.5
251.07152	1.9
252.07857	3.1
253.08559	6.9
255.06612	2.6
255.15654	10.3
263.06912	6.1
265.05054	2.3
265.08606	1.9
266.05630	1.2
267.06552	2.2
277.05005	1.3
277.08539	1.5
279.06613	2.0
280.07385	2.6
281.08160	7.3
281.11380	2.2
283.06161	2.6
291.06824	1.3
291.10162	2.9
293.08218	1.3
295.06573	1.6
295.09439	5.1
297.16647	10.4
309.07608	6.4
309.11255	4.2
310.08359	3.3
313.10690	2.6
323.09229	3.6
323.12686	1.1
341.10251	11.6
341.15750	100.0
342.16241	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	341.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66096	4.6
53.03937	8.8
55.01859	6.3
55.05500	35.5
57.03428	4.9
58.06585	20.1
67.05496	54.8
69.03421	56.1
69.07077	27.6
70.05096	9.1
70.05437	7.1
71.04977	18.9
79.05484	52.2
81.03402	80.4
81.07043	100.0
83.04977	31.3
83.08614	17.3
85.02885	25.5
85.06513	11.4
91.05449	47.4
93.07027	64.0
95.04951	23.8
95.08594	82.7
97.02869	23.0
97.06509	23.2
97.10105	6.7
99.04446	15.0
105.07014	50.3
107.04963	12.1
107.08570	30.7
109.02853	17.9
109.06500	21.0
109.10149	26.0
111.08059	7.2
113.40920	4.9
115.03994	5.9
116.67073	4.8
117.06985	14.5
119.08572	48.6
121.06493	19.9
121.10128	20.5
123.08058	16.2
123.11747	4.8
125.09618	9.5
127.03924	26.5
129.06949	11.1
131.04950	8.5
131.08562	17.3
133.06456	14.2
133.10123	18.4
135.08043	15.8
135.11655	14.0
137.05975	14.0
137.09642	10.2
143.08475	8.4
145.04887	6.2
145.10103	16.7
147.08063	10.2
147.11708	11.4
149.05977	5.7
149.09570	6.3
149.13281	7.2
151.07518	27.7
157.10114	9.0
159.08104	5.6
159.11665	15.0
159.24001	4.9
161.09650	6.4
161.13222	36.9
163.07544	6.8
165.09160	5.6
166.52046	5.2
171.08061	7.0
171.11667	8.9
173.11745	5.3
173.13231	11.5
175.14842	5.0
179.14268	14.1
187.07591	6.2
191.14259	6.5
195.11766	6.1
204.06590	6.5
207.13780	6.8
209.15282	7.7
225.14778	11.9
231.17497	6.2
237.14804	13.8
251.16431	8.5
263.16336	13.0
269.15286	7.1
277.18054	9.6
287.16272	15.6
291.10187	6.7
294.12405	5.5
305.17548	32.3
323.12729	8.0
323.18533	60.6
330.84003	5.4
341.13751	5.1
341.15143	6.4
341.19232	51.1
342.13205	7.5
342.16742	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	341.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.3
55.01859	11.6
55.05505	36.6
57.03420	12.0
58.06585	10.4
65.03918	4.5
67.05157	5.7
67.05499	80.0
68.99770	4.6
69.03423	72.0
69.07059	23.0
71.01349	7.3
71.04987	20.4
72.85328	2.8
79.05036	5.4
79.05481	64.7
81.02957	5.4
81.03409	92.4
81.07046	100.0
83.04971	43.5
83.08603	23.8
85.02885	23.5
85.06532	12.0
87.04483	3.3
91.05463	66.3
91.05984	5.5
93.07035	68.9
95.04957	29.8
95.08593	94.7
95.10929	3.3
96.08932	3.9
97.02870	25.8
97.06516	30.8
97.10181	11.1
99.04455	22.0
99.08084	10.3
99.86465	3.3
103.05433	8.8
104.44305	2.8
105.04501	4.1
105.07019	66.3
106.04168	3.5
107.04945	8.9
107.08587	32.3
109.02891	21.7
109.06531	27.0
109.10149	22.5
111.04416	7.2
111.08069	9.4
113.06055	3.0
115.03916	5.3
115.05434	4.5
117.07001	21.5
119.08556	40.2
121.06493	23.0
121.10092	18.9
123.04416	7.9
123.08046	20.2
123.11686	4.9
125.05977	8.9
125.09592	8.3
127.03909	33.0
128.06210	5.9
129.05481	3.4
129.06999	12.0
131.04926	4.4
131.08566	23.2
133.06473	14.4
133.10107	32.7
135.08040	14.1
135.11633	15.8
137.05954	18.9
137.09596	9.5
137.13158	4.5
139.07556	5.8
141.06960	6.9
143.08583	14.2
144.08951	3.6
145.04984	5.5
145.06453	6.7
145.10121	15.5
147.08006	11.5
147.11656	8.7
149.09615	8.8
149.13226	8.6
151.06308	6.1
151.07494	39.0
152.06604	3.8
153.09044	3.6
155.08519	3.7
157.10156	9.7
159.08011	8.8
159.11594	15.1
161.09601	8.2
161.13249	29.9
163.07603	4.4
165.09076	3.5
169.10091	5.2
171.08086	4.9
171.11670	9.9
173.09616	3.9
173.11691	9.9
173.13222	8.5
175.07503	7.6
177.12801	7.3
179.14325	17.7
185.13210	4.5
187.07539	5.0
189.09102	14.1
189.12729	6.9
190.09404	5.6
191.14320	5.2
193.15733	3.3
195.13812	3.3
201.12715	5.0
207.13789	12.8
209.15349	8.5
219.13824	10.3
220.08757	3.2
221.15288	6.4
223.16840	5.9
225.14816	14.2
233.15431	4.9
235.13072	3.4
235.17004	3.5
237.14757	20.7
245.15382	7.8
249.14923	7.4
249.18477	3.7
251.16434	12.5
259.17038	5.8
263.16422	16.8
271.09482	3.4
275.16452	3.3
276.78253	3.0
277.18045	10.7
285.68130	3.4
287.13437	3.2
287.16284	22.3
291.10202	5.7
293.17285	8.0
295.09567	5.5
305.17426	59.3
306.17831	4.3
323.18515	64.7
324.18716	3.3
341.13370	9.1
341.19513	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	341.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.3
55.01870	11.1
55.05511	28.7
57.03433	8.5
58.06595	7.7
60.89488	3.6
65.03934	5.2
67.05496	60.2
69.03420	57.4
69.07059	29.6
71.01361	6.9
71.04984	15.9
72.13641	3.4
75.49645	3.6
79.05483	57.9
81.03410	69.0
81.07047	100.0
81.55962	3.7
81.58544	3.6
82.06563	7.5
83.04981	27.9
83.08606	19.1
85.02890	30.0
85.06546	15.4
91.05450	54.5
93.07032	64.5
93.07590	4.4
95.04961	33.1
95.08597	87.9
97.02884	32.1
97.06525	25.5
97.10181	10.1
99.04459	12.9
99.08077	4.4
103.05508	4.9
105.07024	49.6
107.04968	14.6
107.08586	35.4
109.02868	16.2
109.06542	25.4
109.10145	28.5
111.04445	7.2
111.08092	13.3
113.09619	4.8
115.05435	4.7
117.06999	15.8
119.08555	42.5
121.06490	22.0
121.09389	4.2
121.10104	21.1
122.03652	7.7
123.04481	5.6
123.08070	14.6
123.11687	5.5
125.06023	3.4
125.09591	5.1
127.03899	24.4
128.06224	8.0
129.07004	14.3
131.04935	7.9
131.08545	20.6
133.02852	4.0
133.06511	9.3
133.10126	24.4
135.04359	5.0
135.08073	12.4
135.11670	13.0
137.05974	71.3
137.09612	11.0
139.07558	5.3
143.08594	9.9
145.06476	10.1
145.10149	14.6
147.04395	5.6
147.08043	12.6
147.11678	9.4
149.05917	5.0
149.09518	4.3
149.13217	9.1
151.07521	36.7
155.08578	7.3
157.06528	4.1
157.10124	10.3
159.04445	6.4
159.08083	6.8
159.11714	10.7
161.05930	7.7
161.09622	9.1
161.13264	26.2
163.07462	5.9
163.14809	5.9
165.06877	4.2
165.09171	6.5
171.11758	5.6
173.05917	3.8
173.09592	7.0
173.11925	4.9
173.13257	8.8
174.06754	5.3
175.07564	17.5
175.14813	5.0
177.12737	7.1
179.07042	4.1
179.14314	13.2
183.11736	6.0
185.13188	7.3
186.21730	4.1
187.07513	21.8
189.07051	4.3
189.09091	7.6
190.07742	5.8
191.14294	5.1
195.13809	4.0
202.07788	4.0
203.08548	11.7
207.13824	5.4
209.09674	4.8
209.15331	9.4
211.07547	11.4
217.08604	7.5
219.08035	7.1
219.13795	7.0
220.08795	8.0
221.09587	4.5
223.16847	5.8
225.14894	9.4
231.08076	9.3
233.15309	5.9
235.16902	4.0
237.09129	7.3
237.14870	14.2
239.07065	8.0
245.15425	5.6
248.08282	14.3
249.14767	5.2
251.16438	14.0
256.07220	7.6
259.07227	4.9
259.17023	5.3
261.08975	4.7
263.10651	11.4
263.16525	10.9
265.08566	8.7
271.09634	15.0
276.07825	6.3
277.08710	5.7
277.17920	7.0
279.10202	9.5
281.11719	5.2
281.17578	4.5
282.12286	4.1
283.09702	5.0
287.16483	15.4
291.10123	29.6
293.17398	5.4
294.12619	4.4
295.09644	10.5
297.11127	9.8
305.17404	38.7
305.24619	4.6
309.11197	10.3
311.12628	5.0
323.12756	17.9
323.18472	53.7
341.13800	32.6
341.20160	16.3
341.26691	10.7
342.13742	6.5
361.61829	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	341.206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	0.8
62.98248	16.4
63.00980	0.4
69.59840	1.0
81.07062	0.5
93.07016	0.5
95.08604	0.6
115.16335	0.3
119.08566	0.3
133.10199	0.4
158.83376	0.4
205.04932	1.2
206.05444	0.4
262.55203	0.3
301.20020	1.0
317.19717	0.6
319.21127	2.9
323.19498	12.7
324.19751	1.0
337.22159	3.2
341.20569	100.0
342.20883	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	341.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97081	0.4
57.07062	0.5
58.06592	0.7
62.98256	0.4
65.81973	0.5
69.59570	0.4
69.65242	1.6
88.76192	0.5
98.22801	0.6
118.53841	0.4
121.00803	0.4
126.89029	0.4
135.93654	0.4
156.47014	0.4
178.13464	0.5
205.04979	1.6
299.12784	0.4
340.39255	0.6
341.20581	100.0
342.20953	5.5
342.37192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
57.07066	4.4
58.06586	1.9
62.97924	1.0
62.98250	20.2
67.05492	2.1
69.07057	2.3
69.07544	0.5
69.75437	1.9
71.05000	0.6
71.08614	3.7
78.42093	0.5
81.07047	4.1
83.08583	1.4
93.07029	1.1
95.08591	2.5
97.10174	0.8
97.58404	0.5
103.94093	0.5
105.06967	1.1
109.10120	1.5
119.08603	0.8
121.10122	0.7
123.11694	0.8
133.10136	0.8
141.12733	2.3
148.33992	0.5
161.13318	0.6
163.26515	0.5
190.02606	0.7
205.04955	4.4
245.08046	0.6
246.19373	0.6
251.37703	0.5
255.21045	0.6
285.24237	0.7
319.21289	1.0
323.12579	0.7
323.19586	2.2
340.39334	1.2
341.20578	100.0
341.27280	2.5
341.31744	1.5
342.17249	1.1
342.20908	5.9
342.24432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01862	2.9
55.05503	9.9
57.03429	1.6
57.07062	4.7
58.06591	9.3
58.62822	0.9
62.62522	1.0
65.03950	1.7
67.05492	17.9
69.03419	6.3
69.07049	7.6
71.05007	2.4
71.08625	14.2
79.05481	14.6
81.07045	20.7
83.04973	5.2
83.08593	2.8
85.02885	1.0
85.06540	3.5
91.03921	1.7
91.05448	11.4
91.05883	1.0
93.07031	20.7
95.04958	9.0
95.08595	15.0
96.05721	3.1
97.02874	15.0
97.06522	8.5
99.08088	7.5
105.04450	1.2
105.07014	9.0
106.57427	1.0
107.04960	1.8
107.08563	6.0
109.06487	6.9
109.10147	3.6
111.04433	17.8
111.08057	1.8
113.05989	4.4
116.06201	1.5
117.06966	1.2
119.08575	6.1
121.06493	13.7
121.10141	14.6
123.04420	3.6
123.08053	5.9
123.11710	2.3
124.05228	3.0
125.05967	2.9
125.09635	1.4
131.08565	15.2
133.10132	3.6
135.08000	2.0
137.05960	2.6
137.09616	2.5
139.11198	2.3
143.08488	1.8
145.10118	2.8
147.08047	2.0
147.11626	1.9
149.02327	1.8
149.09596	12.9
151.11194	1.5
161.09648	1.3
161.13210	2.2
163.11134	3.2
165.12717	8.4
167.10654	3.8
170.98245	1.2
171.11723	2.1
179.14285	2.4
180.11433	1.6
181.12209	100.0
182.12563	4.0
185.13315	1.1
189.12663	1.7
191.14357	2.7
207.13780	3.0
253.14249	1.4
253.83699	1.1
277.21472	1.3
284.22586	1.1
286.23508	1.0
294.12277	1.7
305.21140	8.3
306.21619	1.9
307.22662	1.9
323.22113	3.3
341.20959	2.9
342.17020	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	342.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37225	0.6
52.00003	0.6
55.01866	0.8
58.06569	2.6
66.74026	0.6
67.05469	1.9
75.04101	0.7
75.04472	10.2
81.03397	1.0
81.07056	0.7
91.05449	1.1
93.07030	0.9
95.04935	2.1
103.05434	1.0
105.03375	1.2
109.02863	1.0
109.69958	0.6
111.04379	0.9
115.05418	1.8
116.10706	0.9
119.04861	0.6
123.04404	6.0
131.04897	4.1
133.02811	1.8
135.08055	0.7
136.03874	1.8
137.05939	0.8
144.04384	2.2
148.03902	2.9
148.05101	1.3
151.02585	2.1
159.04288	0.8
163.03857	0.9
167.07268	1.8
168.05582	1.2
172.03960	1.3
174.05472	1.0
185.04662	2.6
194.05913	3.6
195.06691	3.1
196.07253	0.6
196.16977	0.8
201.07352	0.7
208.05966	0.8
210.05354	1.5
210.09108	2.3
211.06189	2.0
214.17969	5.4
220.07500	0.9
222.05484	8.3
223.06270	15.3
224.06895	1.4
226.08588	1.1
236.07039	0.9
237.07819	2.0
238.05168	0.7
238.08571	3.9
239.05753	3.4
240.06525	1.9
244.15334	1.2
250.04971	6.2
251.05743	96.8
252.06317	8.6
254.08061	1.8
266.08075	34.7
267.05249	6.8
267.08112	1.2
268.05905	2.3
278.04431	13.5
279.10086	1.1
282.07571	36.0
283.07880	1.3
284.71552	0.8
294.12473	1.2
295.04727	1.1
296.05536	0.9
297.11102	1.5
310.07050	100.0
311.07394	5.1
341.19476	0.9
342.09671	19.0
342.13080	0.9
342.19699	2.1
342.23785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
58.06587	4.1
67.05499	1.9
69.03410	1.2
69.07041	1.2
71.41978	1.3
77.11143	1.0
79.05486	1.3
81.07054	3.0
83.08611	1.5
85.02899	4.9
89.15960	0.8
91.05444	1.5
93.07045	1.6
95.08592	1.3
103.05489	1.1
105.07035	0.9
107.04971	1.5
109.10166	1.4
119.08603	1.2
121.10176	1.2
127.03867	1.8
131.08549	1.2
133.10043	0.9
135.03152	1.7
135.04341	1.1
135.11685	1.1
137.06000	4.7
138.06235	1.3
145.04979	2.7
153.05464	1.8
154.06677	1.0
161.06013	1.9
165.07011	1.2
166.06505	1.4
167.07091	1.3
175.07568	2.5
179.03447	1.1
183.06776	1.7
188.07784	1.0
192.06531	1.5
194.05933	5.2
210.05463	1.2
211.06293	5.0
212.07848	1.0
222.05498	9.1
223.06313	3.4
237.08989	1.2
239.05687	9.9
240.06596	1.6
241.07933	1.0
251.05722	34.7
252.06525	34.4
253.06888	1.7
254.08243	1.2
265.08664	2.5
266.08112	9.2
267.05240	62.7
268.05978	29.8
278.04355	1.6
282.07547	19.0
282.12213	1.9
282.24103	0.9
283.08258	1.9
292.10663	1.2
294.12369	1.2
295.04715	45.6
296.05399	8.1
296.10297	1.0
297.11261	3.3
310.07068	100.0
310.11197	3.0
311.07275	5.6
327.07715	1.1
342.09726	54.9
342.13779	4.4
343.10388	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	342.097
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	5.6
64.55026	1.8
67.05491	4.1
69.07030	1.6
75.04456	3.9
78.50462	1.6
79.05490	2.1
81.07036	2.4
85.02917	2.4
91.05470	2.5
95.03702	3.1
95.04958	3.5
103.05479	2.0
105.07027	2.5
109.02902	1.8
115.05444	4.3
122.03637	2.7
123.04405	7.4
128.04907	1.8
131.04906	12.0
133.02849	2.8
136.03926	2.3
137.05977	23.1
143.04955	3.4
144.04366	2.2
145.02783	3.0
148.03873	4.3
148.05118	2.3
150.01837	2.3
151.02647	15.0
161.05885	2.5
165.04189	6.7
166.06386	2.1
167.07285	3.2
168.05710	2.7
181.06458	2.3
185.04697	3.2
193.03658	3.6
194.06047	4.6
195.06776	7.2
203.06857	2.6
205.04932	2.6
208.06018	14.9
210.05367	3.0
211.06146	3.4
222.05484	29.4
223.06219	23.6
238.08609	5.9
239.05681	4.2
250.04868	11.8
251.05745	92.0
252.06197	8.4
254.07993	4.1
262.06049	1.9
265.08701	3.8
266.05322	1.6
266.08081	39.6
267.05249	20.0
267.08118	3.5
268.05795	2.4
278.04453	63.6
282.07574	54.4
283.07706	4.3
296.05521	5.0
297.11029	2.4
310.07062	100.0
311.07443	5.9
324.08994	3.0
342.09814	14.6
342.13571	4.0
342.17072	3.2
360.55457	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
54.75500	0.5
55.01872	1.3
57.03429	1.7
61.02919	2.8
69.03419	6.6
71.04993	0.6
71.43568	0.6
73.02888	1.1
79.05493	1.0
81.03411	2.4
85.02894	16.6
86.09684	0.9
87.04450	1.1
89.03899	3.6
91.03948	0.9
91.05432	1.1
95.04983	0.6
95.06081	0.6
97.02870	5.2
99.04440	1.5
102.96796	0.5
106.06534	0.6
107.04950	2.2
109.02868	1.6
117.03352	6.8
117.05502	2.5
117.09071	2.7
119.04960	0.9
127.03917	2.6
135.04396	15.4
137.05986	2.8
138.05481	1.3
145.02820	11.9
145.03944	0.9
145.04834	2.8
149.02348	0.6
162.05516	0.8
163.03880	100.0
164.04236	2.3
177.01820	1.2
179.03368	0.8
180.03786	2.3
180.06526	78.4
181.04858	3.2
181.06827	1.8
294.12335	2.0
295.09839	0.6
310.11771	0.8
325.14240	0.5
332.16919	0.6
342.08804	2.2
342.11874	2.0
343.09793	8.3
343.13586	3.7
360.02802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77657	0.8
61.02925	1.6
66.52093	0.8
69.03434	2.3
69.14631	5.7
73.54823	0.9
75.04478	3.3
79.76702	0.8
85.02892	24.5
85.36148	0.9
89.20356	0.8
97.02896	2.3
98.22670	1.4
103.03952	5.2
117.05473	100.0
118.05820	1.8
145.04933	20.9
163.03911	2.2
163.05983	26.2
163.07285	1.3
166.73674	1.0
180.06427	4.1
180.08725	2.9
181.04933	1.4
188.52266	1.0
294.12561	1.7
342.11853	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
58.06592	7.1
69.03431	0.9
70.06611	1.8
71.03588	1.1
79.05491	2.1
81.07043	3.3
85.02882	2.8
86.09689	1.0
91.05467	1.3
93.07075	1.2
95.04984	1.1
95.08623	1.4
97.02910	1.7
97.06483	0.9
105.07010	1.1
107.08555	1.1
108.80676	1.0
116.01685	1.3
120.08139	1.1
121.10155	1.1
133.02840	1.0
137.05946	4.3
138.06375	1.4
142.03253	2.7
145.04916	1.4
156.40024	1.0
161.05885	1.2
162.02141	1.7
170.02669	1.9
175.07484	1.6
179.08545	1.2
180.03665	1.1
188.07988	0.9
190.07776	1.1
191.08543	4.6
195.07997	1.0
198.76234	0.8
203.08522	1.2
207.08025	2.7
208.08818	2.7
209.09523	1.6
212.07834	1.1
219.08020	3.4
220.08792	6.5
221.09500	3.2
222.06723	1.0
223.07614	1.1
223.11206	3.5
224.08174	1.6
232.08504	1.4
233.09531	2.2
235.07449	6.0
236.08272	14.9
237.09131	1.8
239.10652	2.7
247.07487	1.5
248.08289	2.8
249.08995	3.5
250.09857	3.2
251.06860	1.4
251.10628	19.1
252.07884	3.3
263.06970	1.1
263.10596	3.0
264.07788	2.8
265.08530	3.8
266.09299	1.7
267.10129	6.3
277.08423	3.0
278.09064	1.5
279.10126	37.4
280.07480	1.4
280.10562	3.7
282.08859	1.1
292.10461	2.4
293.11578	2.2
294.12451	100.0
295.09674	38.6
295.12878	6.2
296.10150	4.1
297.11188	3.3
310.11935	43.9
311.12378	3.9
324.13138	1.2
325.14291	50.3
326.14688	3.0
342.13538	2.1
342.17352	7.2
343.15530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1698
Annotation	Secocularidine
Peak:m/z	Relative Intensity
56.05020	0.8
58.06593	100.0
59.06928	1.1
69.09344	2.9
70.06596	1.1
78.30247	0.5
85.02888	0.9
86.09689	4.3
97.02873	0.7
97.51357	0.5
100.12439	0.5
100.39140	0.6
116.07095	2.0
137.06010	0.7
142.24643	0.5
142.58850	0.6
144.04446	0.5
145.04970	0.5
155.08160	0.6
163.11177	0.9
165.06999	1.5
166.07707	1.1
167.08557	0.7
172.03886	0.5
177.06950	0.8
178.07785	0.6
179.08559	3.3
180.10255	0.7
181.06557	0.8
181.08485	0.6
181.10089	1.7
181.53160	0.6
190.04968	1.9
190.07753	1.8
191.08534	10.4
193.06386	0.6
194.07265	2.8
195.07965	0.8
196.15790	0.6
199.18018	1.2
205.06473	4.1
207.08044	6.4
208.08778	2.3
209.09557	5.2
217.06514	0.7
218.07272	1.6
219.08014	8.6
220.08647	0.7
221.05980	2.0
221.09410	0.7
222.06718	10.3
223.07466	1.7
223.60315	0.5
233.05910	3.7
234.06500	0.6
235.07487	4.1
236.08301	2.9
237.09053	14.1
238.09563	0.7
239.06921	1.8
239.10623	1.1
239.49495	0.6
247.07538	3.4
248.08246	0.7
249.05414	0.8
250.06216	1.9
251.06992	1.4
251.10696	1.3
253.08624	0.8
255.10185	1.2
263.06854	1.1
264.07712	1.1
265.08560	45.1
266.08984	3.1
266.11530	0.5
267.06470	3.5
267.09946	1.0
269.11719	1.2
279.10107	2.3
281.11746	0.6
282.08841	18.7
283.09232	1.4
284.10303	2.6
292.10513	0.7
294.12256	0.8
297.11172	53.9
298.11581	3.3
299.12759	6.9
311.12689	0.8
325.14380	0.6
334.53897	0.6
342.16953	96.4
343.13364	5.0
343.17346	7.2
363.68628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	16.8
57.07063	15.1
57.48072	3.1
69.03421	4.6
69.56039	13.6
71.04988	5.6
71.08608	3.3
72.08137	7.4
73.83659	3.7
81.07048	12.6
85.02895	13.2
85.06534	18.4
95.04948	6.8
97.02898	4.3
98.23443	6.6
99.08089	13.6
103.07567	100.0
109.06507	14.6
113.05975	3.7
117.09112	75.6
127.07536	41.5
149.90923	3.8
163.09628	44.2
179.03323	4.7
180.03719	11.8
215.13943	4.9
247.86626	3.7
248.69966	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	342.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	10.7
57.07061	13.3
69.03422	3.6
69.39318	2.9
69.70095	12.0
72.08121	3.3
78.45540	3.4
85.02883	9.5
85.06538	14.7
86.49387	3.5
99.08105	7.2
101.06009	4.3
103.07565	100.0
109.06541	5.0
117.09131	19.0
127.07499	19.8
135.94522	3.0
145.08618	8.5
163.09612	33.8
196.40407	3.7
320.68161	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	342.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
55.05505	10.2
57.03419	2.7
57.07066	15.6
58.06592	20.5
59.05010	1.9
61.02909	1.8
63.40803	1.7
67.05470	2.3
69.03414	7.3
69.07051	3.0
70.06583	42.6
70.83706	1.5
71.43947	1.7
72.08112	2.2
77.76514	1.5
79.05475	3.0
81.03410	5.0
81.07051	3.1
83.08597	5.4
85.02893	21.6
86.09696	14.5
89.06019	39.2
91.05437	2.6
95.04942	1.9
97.02862	5.5
99.05565	3.2
101.09636	19.6
107.07053	45.3
107.08585	4.5
109.10062	2.5
115.05432	1.7
119.08553	1.7
127.03853	4.0
130.08615	3.0
135.08035	5.3
137.05914	3.2
138.06308	2.9
145.04985	3.1
163.07452	2.3
163.13272	100.0
164.13593	2.7
180.06548	2.7
181.04938	3.1
181.08519	2.1
183.14928	9.9
195.11319	7.2
204.06267	6.3
206.04269	2.7
207.04973	8.0
207.08046	2.2
211.14384	5.9
222.06712	3.0
225.08980	2.0
237.09119	2.1
251.10608	2.2
265.08597	9.1
266.09097	2.0
279.10147	3.0
282.08704	3.4
292.10419	2.5
294.12540	4.1
297.11078	12.9
298.11230	2.1
299.12711	2.9
310.12115	2.1
325.14413	3.2
342.13257	4.0
342.16898	16.5
342.23849	2.1
343.12601	36.3
343.17072	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35260	7.4
53.68757	7.9
55.01876	10.4
55.05507	63.0
57.03431	40.8
62.98240	16.5
67.05499	100.0
69.07056	36.8
69.60181	27.8
71.04964	29.1
73.06542	7.2
79.05488	94.2
81.07051	82.3
83.04972	29.1
83.08598	31.6
85.06550	10.7
91.05473	72.9
93.07040	99.5
95.04977	12.0
95.08606	59.2
97.06524	13.1
97.10167	50.0
98.22746	14.9
105.07005	68.8
107.08580	79.3
108.93084	8.6
109.06519	16.3
109.10158	41.4
111.08073	23.0
112.33673	7.7
117.07027	17.9
119.08558	44.7
121.10123	45.8
123.08058	11.1
125.09650	38.1
129.07001	9.4
131.08566	30.5
133.10132	25.3
135.11647	7.7
137.09586	12.3
139.11192	9.9
145.10089	28.9
147.11682	20.7
151.07518	12.7
157.10094	11.4
159.11760	14.2
161.13306	9.5
163.11235	10.2
171.11642	14.8
173.13301	10.1
175.14815	10.6
185.13184	17.1
187.14903	8.9
193.12216	9.4
197.58960	8.0
201.16225	8.4
203.12524	8.7
214.58093	8.8
230.24684	9.6
244.54291	9.1
275.20078	46.4
297.10858	9.3
301.20068	19.5
319.21063	43.5
324.19977	13.7
337.22223	46.5
342.17111	14.0
342.20923	60.3
342.37167	15.1
343.11990	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	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
55.05499	4.7
57.07067	16.5
58.06578	4.1
62.06092	4.0
67.05505	12.9
69.07052	4.0
69.87124	3.1
69.87510	2.7
71.08627	8.8
72.08141	3.1
79.05492	4.8
81.07050	12.2
83.04976	3.0
83.08593	3.7
85.06539	1.8
85.10197	3.0
85.56380	1.5
91.05491	7.9
93.07028	7.6
95.04955	3.3
95.08614	7.6
97.10167	2.0
105.07021	5.7
107.08592	8.0
109.10137	9.5
117.07006	2.1
119.08581	3.2
121.10159	1.8
123.08000	1.6
123.11701	3.1
125.09608	4.8
131.08534	2.0
133.10110	10.4
135.11749	1.6
147.96146	1.5
149.09592	2.4
151.11171	12.2
155.08492	1.4
156.17389	2.3
163.11104	1.3
174.18538	6.3
183.13774	3.9
202.21638	1.5
229.19328	1.4
230.24811	3.8
240.23520	1.7
257.18918	1.6
275.20087	6.0
282.08884	1.8
283.26285	24.9
286.30862	1.4
297.11203	2.0
307.22702	3.0
313.07184	3.7
342.17053	3.0
342.33792	6.1
342.37262	100.0
343.11539	9.3
343.37573	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	342.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
57.07068	22.8
58.06590	1.0
58.07418	0.5
60.04495	0.4
60.08151	2.0
62.06081	2.4
67.05499	3.1
69.07059	3.9
69.66096	1.3
71.08624	13.3
72.08130	1.1
73.02906	2.2
75.44031	0.4
79.35979	0.3
79.47669	0.4
81.07044	3.6
82.07392	0.5
82.41566	0.4
83.08603	2.9
85.06506	0.6
85.10171	5.1
86.09707	0.7
87.04464	0.6
91.05453	0.4
91.34798	0.4
93.07054	0.6
95.08604	4.6
97.06483	0.5
97.10144	1.7
105.07012	0.5
107.08578	0.4
109.10131	1.4
111.11744	0.5
124.89192	0.3
126.20360	0.3
136.11328	0.4
139.91573	0.4
156.17474	1.5
174.18504	3.9
202.21707	0.5
212.23706	1.0
230.24727	3.9
260.69620	0.4
283.26273	100.0
284.26605	6.2
297.11469	0.4
313.07040	0.7
324.36194	0.7
342.33533	37.0
342.37271	70.7
343.11548	0.9
343.33853	2.6
343.37598	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1535
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
55.05488	2.2
57.47922	0.6
59.04979	0.7
60.82878	0.4
67.05480	1.2
68.99754	0.9
69.07056	4.8
71.04974	1.1
73.47605	0.5
79.05469	1.0
81.07036	2.7
83.01308	1.8
83.08573	0.6
91.05450	1.5
93.06997	1.9
93.07533	0.5
93.78369	0.5
95.08583	2.5
103.05450	0.7
105.07010	1.1
107.04927	0.6
107.08562	2.3
109.06504	1.0
109.10129	1.1
115.05420	0.5
119.04911	0.7
119.08524	0.6
121.06503	4.2
121.10136	0.5
123.11664	1.4
123.73927	0.5
131.04890	3.2
133.02802	1.1
133.10071	0.7
134.03600	0.5
139.11142	1.2
147.04387	0.6
149.05956	2.0
151.11172	1.0
155.08339	0.6
157.06412	0.6
159.04419	3.5
161.05954	0.7
162.03098	6.7
163.07480	0.9
171.04437	1.0
171.08028	0.5
173.06020	0.7
175.07521	1.0
177.05467	2.5
181.06383	0.7
187.07576	0.5
189.05429	1.5
190.02573	15.4
191.07037	0.7
193.04955	6.4
195.08011	1.9
199.03854	3.0
199.07613	0.6
203.07027	1.4
204.04016	0.6
205.04930	100.0
206.05261	3.5
209.09599	0.6
213.05432	2.0
214.06160	0.5
216.04068	0.8
217.04875	1.8
217.08528	0.8
219.03065	2.6
219.06488	12.4
221.04419	1.1
223.07428	0.6
227.07047	1.3
228.03972	0.5
229.04857	4.1
231.06514	4.7
233.04460	0.8
233.08058	10.5
234.08337	0.7
237.08913	0.6
241.08563	0.6
243.06490	4.7
244.07169	0.6
245.08057	2.2
247.09604	5.0
257.07990	3.5
259.09531	5.3
261.07602	0.9
268.07172	0.8
269.08032	1.6
271.09634	3.9
273.11133	2.8
275.08743	0.6
283.09631	8.6
285.11133	3.1
287.09131	1.2
297.11148	1.4
299.12683	1.3
301.10675	3.8
301.14294	8.4
315.15891	1.9
325.14255	10.8
326.14691	0.8
343.15347	93.2
344.15717	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	343.1535
Annotation	cis-Avicennol
Peak:m/z	Relative Intensity
55.05510	1.3
55.50792	0.9
57.56966	0.9
65.27174	0.9
67.05485	1.6
69.07041	1.1
71.04977	1.7
72.52613	1.0
77.35210	0.9
81.07053	2.8
83.01328	1.2
93.07063	2.0
95.08585	2.4
97.06500	1.0
105.07001	2.0
107.08590	7.6
116.42487	1.1
119.35413	1.1
121.06461	2.5
125.09647	1.8
131.04929	7.2
133.02802	1.4
133.10112	2.8
143.04982	1.1
149.05963	2.8
151.11066	1.0
159.04431	2.7
162.03087	6.4
163.07506	1.4
171.04401	2.1
177.05440	2.2
181.06480	1.3
189.05428	1.9
190.02577	18.0
191.07109	1.7
193.04936	5.4
195.08043	2.2
199.03917	6.7
205.04939	100.0
206.05290	2.7
213.05481	3.0
216.04193	1.2
217.04913	1.4
219.06499	29.2
221.04356	5.3
229.04953	1.5
231.06488	7.6
233.08064	3.6
243.06294	1.4
245.08101	7.5
247.09599	3.2
255.06552	2.1
259.09653	1.5
269.07913	1.1
271.09653	12.5
273.11172	22.5
283.09543	6.8
285.11191	2.7
297.11145	3.6
301.14328	3.3
302.59711	1.3
325.10394	1.5
325.14282	27.1
326.14575	2.3
342.28632	1.7
343.15384	18.9
344.15598	1.5
349.35873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58663	0.3
55.05492	0.7
59.04985	0.4
62.93748	0.3
67.05466	0.3
68.99768	0.5
69.07060	1.0
70.04915	1.0
79.05466	0.4
81.07037	0.8
83.01328	0.8
83.04961	1.2
91.05456	1.1
93.07038	1.9
93.07532	0.3
95.04955	0.7
95.08595	0.5
103.05445	0.8
104.71771	0.3
105.07014	0.9
107.08567	1.2
109.06488	0.4
109.10110	0.8
121.02843	0.4
121.06478	5.3
121.10114	1.4
123.08035	0.4
123.11713	0.6
131.04912	2.4
133.10123	0.8
134.03622	1.8
139.11169	0.7
147.04385	0.7
149.02319	1.0
149.05963	3.3
159.04433	0.6
161.02316	0.4
162.03098	10.0
177.05476	2.5
189.05504	0.4
190.02576	18.4
191.02943	0.6
193.04900	2.8
199.03836	0.6
205.04935	100.0
206.05281	3.4
219.06505	5.4
221.04460	0.5
231.06445	0.9
233.08060	1.1
245.07961	0.8
247.09613	1.4
257.07932	0.7
259.09644	1.2
271.09570	0.5
273.11194	2.5
282.08844	0.4
283.09711	0.9
285.11029	2.8
297.11145	0.5
299.09387	0.4
299.12704	0.5
301.10754	1.9
301.14325	1.0
313.14178	0.4
325.14276	7.8
326.15030	0.4
343.11652	1.2
343.15344	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	343.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96377	0.7
55.05502	0.9
67.05491	1.8
69.56254	2.3
71.04990	5.2
79.05477	1.1
81.07046	2.8
91.05445	2.3
93.07022	2.6
95.08561	1.0
103.05410	1.2
105.07064	1.4
107.08580	4.9
109.10096	1.1
115.05451	1.1
116.44432	0.7
119.08492	0.8
121.06485	3.8
121.10155	0.9
123.11713	1.3
125.09576	2.2
129.07011	0.7
131.04910	6.1
133.02806	2.4
133.10114	1.5
137.05969	1.4
143.04935	1.3
149.05989	1.7
155.08469	0.9
159.04367	2.5
161.05969	1.3
162.03091	5.5
163.07481	1.0
171.04414	1.2
175.07564	0.9
177.05437	1.8
178.02629	0.8
185.09608	0.9
189.05435	1.4
190.02605	15.0
191.07048	1.1
193.04929	11.2
195.08049	3.0
199.03850	6.2
200.87666	0.8
203.07069	1.7
204.04167	0.9
205.04936	100.0
206.05280	4.4
211.07549	1.2
213.05302	1.8
216.04166	0.9
217.05000	2.0
219.06508	18.3
221.04370	7.9
223.07344	0.9
229.04976	1.9
231.06517	6.7
233.08080	1.7
239.07083	1.0
241.08517	2.4
243.06470	1.6
245.08070	4.7
255.06618	1.2
257.07977	2.8
259.09674	2.9
269.08075	1.5
271.09647	18.2
272.09998	1.1
273.11172	50.4
274.11551	2.5
283.09595	6.5
285.11142	1.4
297.11102	2.2
325.10419	1.2
325.14273	23.9
326.14578	1.3
343.15332	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	343.1537
Annotation	cis-Avicennol
Peak:m/z	Relative Intensity
55.05499	2.7
59.30469	0.7
61.90667	0.5
65.03927	0.6
67.05490	1.6
68.99780	0.6
69.03444	0.7
69.78903	2.3
69.79259	0.9
71.04982	2.4
79.05478	2.4
81.07035	1.5
83.01308	0.7
83.04971	11.8
87.31577	0.6
91.05472	3.1
93.07012	2.6
94.61674	0.7
95.04960	1.0
95.08584	1.8
97.06499	0.8
103.05432	1.0
105.07015	2.5
107.08582	9.8
109.10110	1.1
110.98167	0.6
115.05476	1.1
121.06514	3.9
121.10146	0.7
121.42271	0.6
123.11652	0.9
125.09610	1.9
131.04915	6.4
133.02838	2.8
133.10100	3.2
135.75856	0.7
143.04892	1.5
147.04398	0.8
147.08109	0.8
149.02269	0.6
149.05968	3.0
151.11128	1.0
155.08499	0.8
159.04413	3.3
162.03101	7.2
163.03880	1.5
163.07506	1.5
171.04375	2.1
171.08040	0.8
175.07645	0.6
177.05435	2.3
183.08089	1.2
185.06001	0.9
188.04683	0.9
189.05437	1.9
190.02571	16.8
191.06990	0.8
193.04926	9.0
195.08049	2.3
199.03908	6.3
203.03336	1.6
203.07018	0.9
204.03995	1.0
205.04947	100.0
206.05231	4.6
211.07402	0.7
213.05421	4.3
213.09047	1.0
215.10516	0.7
217.04976	0.7
219.06494	26.7
220.06824	1.5
221.04411	5.3
228.07674	1.5
229.04886	1.8
231.06522	7.8
233.08063	4.4
239.06996	1.0
240.23294	3.6
241.08577	1.6
243.06561	1.4
245.08060	6.0
247.09642	2.6
255.06538	1.7
256.07056	1.3
257.08090	1.3
259.09735	3.1
269.08041	2.3
271.09613	15.7
272.09854	1.1
273.11209	24.4
274.11523	1.2
276.42538	0.8
283.09546	8.0
284.09952	0.8
285.11124	1.1
297.11035	3.2
301.14377	0.6
325.14304	26.0
326.14621	2.1
343.15384	19.2
344.15610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1535
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
50.09893	0.4
55.05499	0.5
57.22569	0.4
68.99779	0.5
69.03416	2.2
70.15241	0.9
70.63736	0.4
71.04955	0.5
79.05465	1.3
81.07040	0.7
82.74818	0.4
83.01328	1.1
83.04955	0.4
91.05439	2.0
93.07028	2.0
97.06535	0.8
103.05457	0.8
105.07005	1.3
106.04108	0.4
107.08597	2.6
109.06496	0.9
109.10186	0.5
110.89668	0.4
111.08060	0.8
118.02745	0.4
119.04886	0.6
121.06483	4.6
121.10146	2.6
129.06891	0.5
131.04918	6.9
131.08595	0.4
133.10127	2.6
134.03600	1.0
139.45982	0.4
149.05957	2.6
151.11237	0.6
159.04399	3.4
162.03099	10.0
163.07535	0.7
173.05952	0.4
176.04604	0.5
177.05428	2.3
190.02582	15.7
190.63455	0.4
191.02913	0.9
191.07037	1.4
193.04913	1.3
199.03836	1.0
204.04103	0.9
205.04935	100.0
206.05275	2.9
213.05446	0.9
219.06503	14.8
230.16110	0.4
231.06540	1.7
231.77533	0.4
233.08034	2.5
245.08064	2.8
247.06023	2.9
258.28470	0.4
273.11160	9.3
283.09653	1.6
287.12509	0.5
301.10611	1.0
325.14294	8.3
326.14526	0.5
343.15366	12.8
344.15863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	cis-Avicennol
Peak:m/z	Relative Intensity
55.01868	0.6
55.05484	1.4
61.60181	0.4
65.03938	0.4
67.05486	1.2
68.55222	0.3
68.99760	0.6
69.03406	1.0
69.64445	0.9
71.04966	1.2
79.05488	2.5
81.07059	2.1
83.01307	1.4
83.04979	0.6
91.05479	3.9
93.07034	2.7
94.94221	0.3
95.04942	0.8
95.08605	3.7
97.06496	1.4
103.05455	1.4
105.07009	2.8
107.04907	0.5
107.08583	11.3
108.08868	0.4
109.06500	1.2
109.10134	0.4
115.05416	0.9
119.04920	0.4
119.06052	0.6
119.08572	0.8
121.06493	5.2
121.10105	1.2
123.08083	0.4
123.11694	0.6
125.09606	2.3
129.06978	0.6
131.04918	9.8
133.02838	1.2
133.06464	0.4
133.10126	4.4
139.11143	0.9
141.07001	0.4
143.04939	2.0
145.06499	0.4
147.04359	0.5
149.02318	0.8
149.05927	2.4
151.11246	0.7
153.06958	0.6
155.08514	1.1
157.06465	0.7
159.04405	5.3
161.05956	0.9
162.03105	9.4
163.03830	0.5
163.07489	2.0
164.04750	0.5
165.05490	0.5
165.06902	0.5
171.04358	2.5
173.05980	0.8
175.07562	0.8
177.05510	2.5
179.32385	0.4
181.06503	0.9
185.05937	0.9
188.04669	0.7
189.05388	1.2
190.02599	17.4
191.02992	0.5
191.07004	1.8
193.04945	7.2
194.07129	0.4
195.08044	2.7
198.03145	0.5
199.03889	6.6
199.07616	0.5
203.03345	2.8
203.07018	0.9
204.04138	1.3
205.04947	100.0
206.05286	4.2
209.09570	1.4
211.07521	1.1
213.05449	4.9
213.09106	0.6
214.06114	0.4
216.04167	1.1
217.04855	0.7
217.08452	0.5
219.06500	35.5
220.06812	1.2
221.04410	3.5
223.07501	0.8
227.07002	0.7
229.04898	1.9
230.05739	1.0
231.06509	8.1
233.05865	0.7
233.08064	6.0
237.09088	0.7
240.07823	0.4
241.08641	0.8
243.06528	1.3
245.08058	8.5
246.08078	0.6
247.09625	4.3
255.06444	0.9
255.10075	0.5
256.07217	0.5
257.08145	1.8
259.09616	1.6
268.07208	0.7
269.08017	1.8
271.09616	10.7
272.10098	0.5
273.11203	15.8
274.11435	0.7
283.09644	9.3
285.11160	0.9
287.12915	0.5
297.11179	4.4
299.12891	0.4
301.14325	0.5
325.14307	29.5
326.14740	1.7
343.15375	28.0
343.19736	0.5
344.15677	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
55.01875	0.5
55.05497	0.8
57.07058	1.4
62.57867	0.5
64.05287	0.5
67.05488	1.2
69.03420	0.5
69.07060	1.2
71.04964	1.9
71.08617	1.3
71.20438	0.6
79.05475	1.5
81.07037	2.2
83.01308	1.5
89.75510	0.5
91.05478	1.6
93.07024	2.1
95.08614	0.5
103.05429	0.8
105.07005	1.0
107.08564	2.1
109.10112	0.5
121.06479	4.9
121.10149	0.5
123.11683	0.8
131.04929	2.6
133.02846	1.4
133.10091	1.5
134.03557	0.9
141.12726	1.7
144.30794	0.5
147.04341	0.9
149.05956	1.8
151.11150	0.5
159.04375	1.5
161.05818	0.5
162.03082	8.5
163.07504	0.7
163.15233	0.4
171.04407	1.0
177.05432	2.1
181.59134	0.5
190.02570	16.9
191.06941	0.6
193.04948	4.9
199.03862	2.2
205.04936	100.0
206.05267	3.6
213.05359	0.6
213.08949	0.7
217.02943	0.5
217.04881	1.1
219.06476	8.2
221.04410	3.6
223.20499	0.9
227.07059	0.7
229.04816	0.7
231.06424	2.9
233.08124	1.4
241.08598	1.0
245.08017	1.5
256.07288	0.6
257.08231	0.9
259.09586	1.0
263.09192	0.7
271.09625	6.0
273.11163	18.6
283.09613	2.7
285.11313	1.5
297.10977	0.6
325.14316	9.4
343.15399	5.7
343.24802	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1536
Annotation	cis-Avicennol
Peak:m/z	Relative Intensity
53.03951	0.3
53.13519	0.3
62.28115	0.3
65.03925	0.4
67.05481	1.1
68.99776	0.6
69.07056	0.5
69.79897	0.6
71.04994	0.4
74.10040	0.3
79.05479	1.6
81.07046	0.9
83.01321	1.1
87.17266	0.3
91.05463	2.8
93.07050	2.4
95.04951	0.9
95.08585	1.8
97.06481	0.4
103.05459	0.8
105.07030	2.5
107.08574	5.2
109.06505	0.6
109.10111	0.8
115.05409	0.7
116.15553	0.3
117.06959	0.4
119.04906	0.8
119.08540	0.9
121.06483	5.4
121.10120	1.1
125.09608	0.5
131.04912	7.0
131.08580	0.5
133.02701	0.4
133.10114	5.5
134.03645	1.3
143.04887	0.6
147.04362	0.9
149.02339	0.4
149.05939	2.9
159.04387	3.4
161.05957	0.7
162.03101	10.1
163.07526	1.3
171.04398	1.0
176.04654	0.6
177.05428	2.3
177.36305	0.3
185.05949	0.3
188.04523	0.4
189.05446	0.9
190.02582	20.0
191.06990	1.5
193.04941	1.4
195.08005	0.9
199.03825	2.2
203.03305	0.6
204.04155	0.9
205.04933	100.0
206.05270	3.8
211.07571	0.3
213.05444	0.9
219.06487	15.9
220.06851	0.6
221.04308	0.5
222.45906	0.3
229.05086	0.4
230.05766	0.4
231.06557	2.7
233.08047	1.7
235.05920	1.4
240.07906	0.3
245.08098	2.1
247.09654	1.2
249.07524	0.5
257.08218	0.4
259.09396	0.8
262.04602	0.4
269.08014	1.1
271.09619	1.8
273.11096	3.0
283.09665	2.9
285.11215	0.8
297.11136	1.5
325.14297	23.7
326.14597	1.8
343.11218	0.4
343.15356	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	343.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43927	0.4
57.81097	0.4
62.88198	0.4
69.03402	0.5
70.04192	0.5
70.04536	0.8
71.04987	0.6
79.05467	0.5
81.07045	0.6
83.01327	0.7
91.05445	1.4
93.07034	1.4
95.08560	0.5
95.41788	0.4
96.99146	0.3
98.23419	0.4
103.05460	0.7
105.06994	0.7
107.04984	0.5
107.08562	1.2
109.06509	0.5
111.58438	0.3
117.96998	0.4
119.04918	0.5
121.02774	0.4
121.06494	5.7
131.04886	2.3
133.02856	0.7
133.10150	0.4
134.03612	0.8
142.39752	0.4
147.04364	0.6
149.05975	2.4
159.04362	0.6
161.05998	0.5
162.03101	9.3
177.05437	2.0
189.05513	0.4
190.02586	15.9
191.03062	0.9
193.04869	0.8
195.08101	0.5
198.01495	0.4
199.03889	1.2
205.04941	100.0
206.05313	3.9
213.05367	0.7
219.06488	3.6
221.04443	1.3
231.06487	1.1
233.04416	0.5
233.08109	0.8
245.08109	1.5
247.09671	1.0
269.08118	0.4
271.09576	1.1
273.11118	3.6
283.09647	1.0
285.11307	2.1
301.10779	0.6
301.14249	1.0
325.14316	3.5
343.11652	0.6
343.15353	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	343.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35404	0.4
59.80838	0.3
69.07038	0.6
70.72051	0.5
75.18076	0.4
79.05474	0.6
83.01321	1.2
91.05478	1.0
93.07027	1.4
94.04221	0.4
95.04939	0.6
98.22922	0.5
103.05408	0.4
106.04112	0.6
107.08627	0.4
113.51673	0.4
119.04870	0.5
121.06480	5.2
121.10081	0.4
131.04915	2.4
133.06496	0.5
134.03612	1.5
149.02290	0.7
149.05974	2.5
159.04404	0.8
161.02391	0.5
162.03096	8.4
177.05481	1.9
190.02579	17.0
191.03055	0.8
205.04936	100.0
206.05365	3.2
219.06500	1.8
221.04449	1.6
233.08104	0.5
245.07959	0.8
247.09660	1.1
273.11182	0.7
285.11209	1.0
301.14096	0.5
325.14328	1.3
343.15298	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.2
58.91493	0.5
61.83474	0.5
66.76515	0.5
67.05503	0.8
68.34948	0.5
69.07056	0.8
69.99183	1.1
71.04979	3.5
73.94618	0.6
79.05481	1.1
81.07018	1.2
83.01308	1.2
88.42941	0.5
91.05454	1.9
93.07004	2.3
95.04926	0.8
95.08578	0.9
103.05415	1.1
105.06995	1.4
107.08563	2.9
109.10142	1.3
119.04869	0.6
119.08610	0.7
121.06499	5.1
121.10148	1.0
125.09605	0.9
129.06973	0.8
131.04890	5.8
133.02815	2.2
133.10117	1.6
134.03613	1.4
140.82054	0.5
143.04922	1.3
145.81911	0.6
149.05988	3.0
154.07726	0.6
155.08455	0.7
159.04385	2.4
159.53606	0.5
161.05957	0.6
162.03098	9.3
171.04355	1.7
177.05453	2.1
178.02655	0.8
179.06989	0.8
181.06372	0.7
185.05888	0.7
189.05389	1.2
190.02585	18.9
191.07082	0.8
192.61621	0.6
193.04895	5.9
195.08041	1.4
199.03943	3.6
203.07019	1.2
205.04927	100.0
206.05249	3.7
213.05385	1.4
213.09007	1.1
217.04910	1.2
219.06480	12.9
221.04396	5.0
227.07091	0.7
229.04842	0.7
231.06462	4.9
233.07936	1.2
241.08545	1.0
243.06421	0.9
245.08093	2.2
247.09645	0.9
251.07164	0.6
255.06421	1.0
256.07089	0.8
257.08090	1.6
259.09561	1.3
269.08023	0.8
271.09564	9.7
273.11163	28.8
274.11520	1.8
283.09518	4.4
285.11050	1.8
297.11301	1.4
301.14328	1.1
325.14291	16.0
326.14655	0.8
343.15338	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	343.1537
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
52.09822	0.5
55.05489	0.6
56.71801	0.6
56.72107	0.5
57.07057	2.5
58.06607	0.9
59.78132	0.5
62.06080	1.3
67.05475	0.5
69.03438	1.1
69.19508	2.9
71.08627	1.3
72.08133	0.6
79.05468	0.7
81.07027	1.3
83.01328	1.5
91.05457	2.2
93.07016	2.6
95.04956	0.9
95.08586	0.8
97.06533	0.8
103.05449	1.5
105.07019	2.0
107.08592	2.6
107.88867	0.5
109.06503	0.7
111.16159	0.6
115.05428	0.7
115.52370	0.5
119.04918	0.7
119.08567	1.1
121.06476	5.0
121.10139	2.9
131.04918	7.4
133.10100	3.0
134.03619	1.1
135.04349	0.6
135.21123	0.5
135.49292	0.6
136.82497	0.7
149.05919	2.7
151.11159	0.7
159.04427	4.6
162.03082	10.9
163.03607	0.7
163.07574	1.3
165.05431	0.7
173.06009	0.6
174.18443	1.2
176.04634	3.7
177.05482	2.5
185.05910	0.8
189.05457	0.7
190.02588	21.0
191.02887	1.1
191.07019	1.3
193.04936	1.5
199.03874	1.6
204.04141	8.6
205.04935	100.0
206.05264	4.1
207.06812	0.5
213.05482	1.4
217.04887	0.7
219.06505	20.8
220.06813	0.9
228.43544	0.5
230.24821	0.9
231.06514	1.6
233.08098	3.6
240.23167	1.5
245.08057	2.3
245.49542	0.5
246.07587	0.7
247.05861	2.5
247.09735	0.5
257.07800	0.9
259.09662	0.6
273.11237	10.1
277.91992	0.5
282.08881	0.8
283.09335	0.6
285.07642	0.8
301.10669	1.4
301.14297	1.3
313.07031	3.1
325.14331	9.6
326.14609	0.7
342.37241	18.4
343.11600	4.4
343.15323	17.3
343.21692	1.0
343.25354	0.7
343.37659	7.9
344.15643	1.6
352.71802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1535
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
53.03921	1.1
55.01863	2.3
57.03408	1.2
65.03907	1.2
65.86012	1.0
67.05474	2.4
69.03405	2.6
69.23106	5.7
70.06552	1.4
72.08139	1.3
78.04691	1.4
79.05478	9.3
81.07034	2.6
85.06557	1.1
86.09647	1.7
91.04956	1.3
91.05471	17.8
93.06998	3.0
94.04146	1.8
95.04956	5.3
98.07465	1.0
98.68613	1.3
102.04649	4.2
103.05457	18.2
104.48056	1.2
105.03374	2.4
105.04523	1.5
105.06356	1.2
105.07014	15.4
106.04137	3.4
107.04929	31.3
107.08566	2.7
109.06460	2.1
111.04395	1.1
115.04713	1.5
115.05437	12.8
116.06236	1.3
117.03423	1.2
117.06996	5.7
119.04910	2.7
121.06467	4.6
121.57501	1.0
122.03603	6.6
122.07243	8.0
128.06204	1.9
130.04146	8.2
131.04904	18.4
132.05679	2.4
133.06488	7.6
135.08017	8.1
136.05127	1.5
137.05959	80.6
137.90067	1.1
138.06276	2.1
141.06949	3.5
143.04942	1.2
144.04266	1.0
144.05525	1.4
145.06404	4.1
145.07484	1.5
146.03606	9.7
147.03496	1.0
147.04398	12.0
147.07986	4.5
148.08783	2.2
149.05971	7.4
151.03860	2.5
151.07520	11.1
153.05414	1.3
158.07207	3.2
160.05159	2.8
161.05952	60.4
162.06729	21.2
163.03825	1.7
163.07510	44.4
165.06903	3.3
166.07684	2.0
167.07057	1.4
169.06441	4.8
173.09579	3.3
173.11728	1.3
174.06749	2.4
175.07520	49.7
176.07898	3.1
177.05453	1.4
177.06871	1.3
177.09094	9.5
178.07695	2.0
179.08482	4.5
179.10641	1.7
181.06345	2.2
181.08615	7.4
183.07904	1.2
185.16472	1.7
186.06764	1.3
187.07524	2.0
189.06995	1.8
189.09010	2.0
190.05017	2.5
190.07690	4.7
191.08481	1.9
191.10501	1.2
193.08560	2.1
194.07230	5.9
195.07956	2.5
196.08784	1.2
201.09053	6.6
203.08527	2.9
204.09299	1.4
205.06451	5.6
205.10057	7.5
206.07124	1.7
207.07986	6.2
208.08719	1.2
209.05949	2.5
209.09470	4.8
210.06688	1.2
211.07399	2.8
215.08499	4.5
218.07182	6.0
219.08093	2.1
219.10072	16.4
221.05928	4.8
221.09523	3.3
222.06744	7.7
222.10304	3.3
223.07526	2.3
224.08351	5.4
225.09050	2.4
231.07997	1.3
232.08595	1.3
233.05841	3.4
233.09576	14.6
234.06712	2.4
234.10178	4.3
235.07579	7.4
236.08208	3.4
237.05363	2.5
237.09062	11.8
237.12656	2.4
239.06908	3.2
239.10622	3.2
241.08513	3.8
247.07440	1.4
249.05423	2.7
249.08987	4.8
250.06187	6.3
250.09698	5.2
251.06920	5.0
251.10551	2.4
252.07742	3.2
253.08481	3.9
254.09283	3.0
260.08163	1.2
261.09088	9.8
262.09763	1.7
263.06900	4.4
264.07620	3.8
265.08481	23.8
265.12085	8.9
266.09109	4.5
267.10098	12.2
269.08023	8.0
269.10529	1.3
277.08499	1.3
278.09302	4.7
279.10065	3.4
281.07944	4.0
281.11234	2.3
282.08960	6.5
282.25092	1.1
283.09555	1.8
283.13129	2.9
284.10263	7.5
293.11688	20.5
294.12109	3.4
295.09518	3.8
295.12833	2.0
296.10352	3.8
297.11215	38.9
297.14664	5.0
298.11392	3.7
299.12720	41.6
300.13153	1.2
310.11841	4.9
311.12723	100.0
312.13159	6.9
313.14182	2.3
315.15869	1.4
325.14273	23.0
326.14536	2.1
343.15240	40.6
344.15610	2.7
365.94147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
54.05515	2.5
67.05504	5.4
69.55989	10.4
71.04989	3.9
79.05476	6.0
81.07047	3.9
91.05469	3.9
93.07018	6.1
95.04959	3.5
95.08596	5.6
103.05450	7.7
105.07010	16.2
107.04933	3.0
107.08611	3.6
109.06470	5.3
109.10188	3.2
115.05447	8.2
117.07012	2.9
119.08607	2.5
119.60564	2.7
121.06458	3.0
121.10142	2.3
131.04939	13.0
133.06528	12.4
135.08075	3.4
137.05981	18.8
141.06990	3.3
146.03584	9.4
151.07523	10.0
161.05957	100.0
162.06345	4.1
163.07509	16.1
163.11258	3.4
165.06931	3.5
175.07520	42.9
179.08539	6.7
181.06383	2.7
185.79649	2.6
190.07765	6.5
191.08492	2.3
194.07315	11.1
195.07986	3.2
203.08614	2.5
205.06523	3.0
205.10161	7.7
207.08037	7.9
209.09607	4.2
215.08627	4.3
218.07234	3.8
219.08099	5.6
221.05876	7.3
222.06752	7.8
223.08731	2.9
224.08331	5.6
232.08749	2.5
233.09586	14.0
234.06816	4.7
234.10266	2.9
235.07469	10.0
237.05356	5.5
237.09006	12.4
239.10719	3.1
247.07515	4.0
249.05380	3.5
250.06232	8.3
250.09872	6.5
251.08241	14.1
251.10327	3.4
252.07787	4.0
253.08560	4.3
261.09024	11.3
262.09830	3.1
263.06952	5.6
264.07736	5.8
265.08554	36.9
265.12079	7.3
267.10129	8.7
269.08121	5.8
278.09341	10.1
279.10159	3.9
283.10632	5.9
283.13400	2.7
293.11743	23.2
297.11179	14.1
299.12839	10.2
310.11890	3.7
311.09396	4.3
311.12750	75.6
313.07031	6.8
325.14267	9.1
343.11829	7.2
343.15311	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	343.1536
Annotation	2'-epi-Guianin
Peak:m/z	Relative Intensity
55.01867	1.3
56.84592	0.6
65.47110	0.7
69.03423	0.9
69.31760	3.9
79.04393	0.9
79.05473	2.7
81.03378	1.2
81.07021	0.8
89.03898	1.0
91.05460	7.0
93.07033	1.2
94.04156	3.4
95.04932	2.2
95.12673	0.7
96.47971	0.8
98.23431	1.8
102.04652	0.9
103.05447	7.3
105.03403	1.1
105.07026	4.4
107.04938	7.2
107.08575	1.4
109.06506	1.7
115.05460	5.3
117.03374	1.2
117.07019	2.5
119.04919	3.0
121.06479	2.9
121.10136	1.3
122.03638	8.9
129.06958	1.3
130.04123	1.6
130.85689	0.9
131.04893	5.7
131.08505	0.9
132.05606	0.9
133.02832	3.0
133.06462	3.4
135.04378	1.7
135.08029	3.1
137.05954	100.0
138.06317	2.5
141.06953	2.4
143.04984	0.9
145.06468	2.8
146.03632	4.5
147.04332	3.6
147.08018	0.9
147.51509	0.8
149.05951	6.2
150.06750	1.3
151.03844	2.0
151.07504	6.8
153.06947	0.9
155.08543	0.8
157.06416	0.8
158.07300	0.8
159.04387	0.9
160.05122	1.5
161.05951	22.5
162.06685	5.3
163.07512	16.5
165.06969	2.2
165.09058	1.0
166.07658	1.3
167.07021	3.1
167.08369	0.8
169.06488	2.2
173.06023	1.5
173.09598	1.5
174.06671	1.9
175.07527	15.2
177.05450	3.1
177.06862	1.4
177.09099	2.8
178.07739	0.8
179.08513	2.5
181.04956	2.1
181.08575	2.7
183.08035	1.1
187.07515	1.0
189.07135	0.8
190.07707	2.9
193.06540	1.2
193.08569	1.6
194.07248	4.4
195.07964	1.9
201.05374	6.1
201.09082	3.0
203.05327	1.1
203.08482	1.5
205.04924	1.6
205.06528	4.6
205.10078	2.4
207.08043	3.4
209.06017	1.6
209.09610	2.1
210.06358	0.8
211.07547	1.2
215.08517	1.3
218.07216	1.2
219.06400	1.1
219.08253	1.1
219.10094	2.9
221.05898	2.8
221.09567	1.9
222.06735	5.3
222.10310	1.1
223.07509	1.9
224.08282	1.8
225.08998	1.3
232.08940	1.0
233.05882	2.6
233.09592	7.3
234.06647	2.0
235.07501	4.6
236.08208	2.4
237.05377	1.4
237.09042	7.0
239.07014	2.4
239.10678	2.7
241.08472	1.7
247.07419	1.5
249.05551	1.7
249.08951	1.5
250.06351	4.7
250.09755	2.5
251.07024	3.1
251.10475	2.1
252.07808	1.4
253.08522	3.4
254.09290	2.3
261.09058	3.8
263.06961	1.5
264.07748	1.8
265.08554	9.9
265.12064	4.1
266.09253	1.5
267.06525	2.1
267.10095	4.6
269.08142	4.4
275.10736	0.9
277.08591	1.6
278.09262	3.4
279.10110	3.0
281.08136	1.6
282.08728	4.2
282.24277	0.8
283.09680	1.7
284.10437	3.6
293.08319	1.5
293.11566	9.3
294.12338	3.6
295.09552	2.8
297.11172	33.8
297.14453	1.3
298.11584	2.5
299.12732	13.6
307.09579	2.1
309.10941	0.9
310.11896	2.8
311.09183	1.5
311.12653	11.4
325.10516	3.0
325.14200	18.1
326.14487	1.0
334.84946	0.8
343.11517	1.3
343.15247	15.4
344.16223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
55.01870	1.1
55.05503	1.0
65.03934	1.3
67.05483	1.6
69.03400	1.2
70.99813	1.2
71.04993	1.7
78.79909	0.9
79.05483	5.0
81.03386	1.1
81.07040	2.5
83.04971	1.7
89.89873	0.9
91.05455	9.2
93.07033	3.3
94.04192	1.4
95.04946	3.4
95.08592	1.3
98.22762	1.0
102.04695	1.8
103.05463	6.7
105.03394	2.0
105.07024	5.3
106.04172	1.4
107.04945	8.8
107.08572	5.0
109.06516	1.9
109.10184	1.6
115.05451	4.2
117.03349	1.3
117.07010	2.6
119.04913	2.2
121.06490	8.2
122.03649	2.4
122.07329	1.5
123.04419	1.9
129.06979	2.2
130.04115	2.9
131.04906	8.4
132.05690	1.0
133.02841	20.3
133.06497	3.3
133.10062	1.0
134.03618	1.2
135.04382	2.1
135.07997	5.9
136.05161	0.9
137.05963	34.2
141.07028	1.3
143.04926	1.7
143.46844	0.9
145.02834	1.0
145.06467	1.8
146.03619	3.8
147.04344	6.6
149.05962	7.7
150.06682	1.1
151.03952	1.5
151.07535	4.3
153.05495	1.3
157.06432	1.4
159.04448	2.1
160.05246	1.6
161.05966	22.4
162.03102	6.7
162.06738	6.4
163.03896	2.7
163.07532	17.3
165.05453	3.6
165.06906	1.9
167.07033	1.0
167.08528	0.9
169.06430	1.8
171.04384	1.7
173.05948	2.6
175.07516	20.3
177.05421	3.7
177.06879	1.9
177.09081	3.7
179.08531	2.0
181.04979	1.2
181.06429	1.3
181.08542	4.1
183.07983	0.9
187.07404	1.0
189.08971	1.4
190.02560	15.3
190.07648	1.0
191.03319	4.5
193.04950	4.1
194.07239	1.8
195.08069	2.3
199.03824	2.1
201.05461	4.6
205.04930	100.0
205.10098	2.6
206.05275	3.5
207.08070	2.2
211.07469	1.6
213.05472	1.9
218.07260	1.4
219.06462	11.9
219.08025	1.1
219.09988	4.6
221.04285	1.6
221.09676	1.2
222.06754	3.1
223.07504	2.3
223.13768	0.9
224.08311	1.3
231.06392	2.4
233.05940	2.7
233.09639	3.8
235.07521	2.9
236.08224	1.3
237.09084	4.2
237.12848	1.7
239.06955	2.5
239.10544	1.5
245.08113	1.8
247.09688	1.1
249.09181	2.1
250.06277	3.3
250.09834	3.0
251.06924	2.3
251.10577	1.3
252.07809	1.2
253.08556	1.8
254.09285	1.4
257.08084	1.1
259.09833	1.5
261.09091	3.0
264.07846	1.3
265.08575	10.6
265.12140	3.6
267.06705	1.0
267.10217	3.1
269.07947	3.0
271.09497	5.0
273.11215	8.9
282.08807	2.9
283.09595	3.4
284.10391	3.0
285.11130	5.1
293.08109	2.5
293.11655	5.7
295.09692	1.8
297.11191	13.7
298.11429	1.4
299.12750	16.9
307.09744	2.7
310.11917	1.7
311.12704	32.2
312.13068	3.2
313.14374	1.6
325.10611	5.2
325.14288	17.3
326.14749	1.6
343.11374	2.3
343.15305	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
52.86617	0.4
55.01860	0.7
55.05498	0.6
65.03922	0.4
67.05476	1.3
68.99773	0.5
69.03415	0.6
69.07064	0.7
71.04977	2.1
77.27484	0.4
79.05472	2.0
81.07043	1.9
83.01317	0.9
91.05479	3.3
93.07024	2.6
95.04947	1.7
95.08585	0.7
98.23512	0.8
103.05460	2.8
105.07023	2.4
107.04940	1.4
107.08601	3.5
109.06483	0.9
114.52953	0.4
115.05421	1.1
117.07045	0.8
119.04936	0.9
119.06007	0.5
119.08569	0.6
121.02838	0.5
121.06499	5.0
121.10106	0.7
123.04430	1.0
123.07948	0.5
123.11650	0.7
129.07010	0.7
131.04900	5.2
133.02849	4.1
133.06456	1.0
133.10101	1.6
134.03574	0.7
135.04378	1.0
135.08034	1.4
137.05963	5.2
138.06244	0.5
139.11174	0.6
145.06488	0.6
146.03604	0.8
147.04387	1.4
147.08020	0.9
149.05969	2.6
151.03873	0.5
151.07524	0.7
155.08562	0.7
159.04355	2.3
161.05954	5.9
162.03098	7.7
163.03815	0.7
163.07530	2.8
165.05487	0.5
167.07060	0.5
171.04373	0.9
173.05981	1.0
175.07556	3.7
177.05534	2.3
177.06897	0.7
178.07776	0.6
181.04980	0.6
181.06462	1.2
181.08498	0.7
185.05876	0.5
188.04506	0.4
189.05429	1.0
189.09198	0.7
190.02586	16.3
191.03346	2.9
191.07045	0.8
192.03828	0.4
193.04938	5.2
193.08646	0.5
194.07253	1.0
195.08047	1.4
199.03889	2.2
201.05441	1.2
201.09027	0.4
203.06982	0.4
204.04196	0.5
205.04936	100.0
206.05267	4.4
207.08046	0.9
209.09540	1.0
211.07375	0.5
211.91589	0.5
213.05455	0.8
213.09029	0.6
217.04913	0.8
219.06471	10.8
219.08374	0.7
219.09901	0.5
221.04327	3.3
221.06151	0.4
222.06737	1.1
223.07538	1.0
224.08316	1.1
227.07011	0.6
229.04913	1.3
229.08556	0.5
231.06422	3.2
233.05945	1.0
233.08034	1.3
237.09094	1.4
241.08495	0.6
243.06438	1.5
245.08099	2.4
247.09645	1.1
249.05368	0.7
250.06163	1.4
251.07021	0.5
255.06509	0.5
257.08044	1.6
259.09601	1.4
264.07816	0.6
265.08624	4.0
265.97876	0.4
266.09354	0.6
267.06488	0.7
267.09750	0.6
269.08051	1.2
271.09570	5.5
273.11160	18.9
278.09177	0.4
282.08936	0.5
283.09647	4.5
284.10159	0.6
285.11151	3.5
292.07236	1.0
293.08069	1.1
293.11636	1.1
297.11148	2.5
299.12750	1.2
301.10754	0.6
301.14243	0.8
307.09665	1.5
311.09274	0.7
311.12698	4.6
325.10721	2.0
325.14294	11.8
326.14578	1.2
343.08093	1.0
343.11627	1.4
343.15341	9.8
344.15784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45800	0.4
55.05507	0.8
65.03942	0.5
67.05479	0.7
69.03416	0.8
69.07043	1.0
69.64754	2.0
71.04971	1.3
79.05488	1.5
81.07029	2.2
83.01319	0.9
83.04933	0.5
86.59235	0.4
86.78526	0.5
91.05467	2.1
93.07080	2.4
93.07574	0.6
95.04963	1.1
95.08590	1.0
103.05464	1.1
105.07024	1.6
106.04151	0.6
107.04917	1.0
107.08563	3.2
109.06486	1.2
109.10136	1.2
111.24648	0.5
117.23005	0.6
119.04974	0.8
121.02819	0.6
121.06484	4.1
123.11667	0.9
129.06984	0.9
131.04898	4.4
133.02859	2.9
133.10110	1.0
134.03545	0.8
137.05946	1.8
139.11234	0.7
143.04829	0.4
145.06343	0.6
146.03627	0.5
147.04405	1.1
149.05934	2.1
151.11122	0.7
157.10126	0.5
159.04401	1.4
161.05975	3.9
162.03110	6.3
163.03729	0.6
163.07475	1.2
165.05490	0.9
167.06956	0.6
173.05872	0.6
175.07552	3.8
177.05458	1.5
177.09071	0.8
189.05531	0.7
190.02583	13.8
191.03178	1.0
193.04947	4.7
193.06467	0.8
195.08070	1.4
197.06010	0.8
199.03915	2.4
201.05396	0.8
201.09108	0.7
203.06998	0.8
205.04938	100.0
206.05267	4.3
207.05519	1.1
209.09601	0.8
213.05566	0.7
216.04201	0.6
217.04886	1.2
219.06473	10.4
221.04312	3.5
223.07452	0.6
227.07036	1.3
229.04947	0.8
229.08549	2.2
231.06531	3.4
233.08133	1.7
235.07524	0.6
241.08502	1.1
243.06526	1.3
245.08070	4.6
247.09602	1.4
251.03291	0.5
252.16318	0.6
255.06474	1.1
257.07968	2.5
259.09622	2.1
265.08524	0.9
267.06631	0.6
267.10211	0.5
269.07959	1.3
271.09616	6.9
273.11172	17.1
274.11523	0.7
283.09595	5.5
284.10309	0.6
285.11133	0.9
287.09079	0.7
297.11169	1.8
299.12741	2.2
301.10806	1.1
301.14328	1.4
311.12640	2.1
315.08560	1.4
325.10785	1.1
325.14316	10.5
326.14856	0.8
343.08118	1.1
343.11633	1.9
343.15308	13.5
344.15726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58626	0.5
55.01855	0.7
59.01920	0.5
62.03982	0.6
64.26234	0.5
67.05487	0.8
68.99786	0.7
69.03396	1.0
69.07088	0.6
69.99057	1.4
71.04974	2.1
79.05473	1.7
81.07037	1.8
83.01328	1.0
83.08583	0.8
91.05450	2.5
93.07010	2.2
95.04939	0.6
95.08570	1.6
97.06474	0.6
103.05445	1.4
105.07020	1.9
107.04957	0.6
107.08578	7.1
108.18578	0.5
109.06488	0.6
109.10115	0.8
115.05395	0.9
119.08567	0.5
121.06478	5.6
121.10100	1.1
125.09603	1.3
128.06215	0.6
131.04892	6.4
133.02831	2.0
133.10100	2.7
134.03610	0.6
143.04895	0.9
148.07474	0.6
149.05966	3.0
151.11095	0.7
155.08519	0.8
159.04428	3.0
161.05948	1.0
162.03096	8.2
163.03799	0.6
163.07498	1.4
171.04343	1.8
173.05928	0.7
175.07350	0.6
177.05467	1.6
183.08031	0.7
183.40419	0.6
185.06012	0.7
188.04646	1.0
188.08932	0.5
189.05406	1.0
190.02577	16.5
191.03270	0.7
191.07005	1.1
193.04924	7.2
195.08020	2.7
199.03877	5.3
205.04930	100.0
206.05301	4.0
209.09576	0.8
211.07458	0.8
213.05449	3.1
216.04088	0.8
217.04958	0.7
219.06488	23.3
220.06857	1.4
221.04343	4.5
227.06685	0.6
229.04900	0.9
231.06494	5.5
233.08093	3.2
239.06978	1.0
242.95517	0.5
243.06334	1.3
245.08034	4.7
247.09593	1.5
251.07188	1.0
255.06488	0.7
257.08105	0.7
259.09622	2.0
269.08112	1.6
271.09604	12.6
272.09775	0.6
273.11188	19.1
274.11560	1.3
283.09583	5.7
285.11111	1.2
297.11224	2.0
301.14294	1.4
311.08987	0.6
325.14294	20.1
326.14575	1.0
343.11548	1.1
343.15314	16.1
344.15854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.9
67.05524	0.8
69.22035	3.7
79.05503	2.2
91.05491	3.2
93.07075	0.8
94.04170	1.2
103.05467	2.8
105.07051	2.7
107.04958	4.5
107.08584	1.1
109.06494	0.8
115.05454	1.7
119.04934	1.1
119.50864	0.8
121.06503	1.2
122.03654	4.2
130.04221	0.9
131.04913	3.0
132.05769	0.9
133.02852	2.9
133.06500	2.1
135.04459	0.8
135.08025	1.5
137.05965	45.0
141.06924	1.0
146.03656	2.8
147.04428	2.7
148.03899	10.2
148.04979	0.9
149.05966	3.8
151.03940	1.7
151.07533	3.7
153.05510	1.0
161.05965	11.5
162.06741	4.4
163.07507	8.9
165.07034	1.1
166.05037	2.2
167.06989	1.2
169.06459	1.3
173.09566	0.8
175.07529	10.2
177.05498	1.7
177.09105	1.6
179.08536	1.1
181.05023	1.2
181.06490	0.9
181.08447	2.0
190.04984	1.6
191.08623	1.4
194.07216	1.9
201.05437	1.0
201.09123	1.2
205.05016	3.2
205.10275	1.4
205.12242	0.8
206.07123	1.6
207.08081	1.9
209.06041	0.9
209.09605	1.1
210.06538	0.8
219.10249	1.4
221.05998	1.4
222.06760	1.6
223.07617	0.9
226.09729	0.8
233.06151	0.9
233.09706	2.2
235.07504	1.8
236.08231	1.1
237.09109	4.2
238.06639	0.9
239.06967	1.8
239.10803	0.9
247.07529	0.8
249.09276	1.0
250.06299	1.2
250.09972	1.0
251.07019	1.8
252.07877	0.8
253.08554	1.0
253.36530	0.7
254.09355	1.4
255.11095	1.3
261.09198	2.3
263.07257	1.2
265.08575	4.8
265.12314	2.3
266.09265	0.9
267.06833	1.3
267.10220	2.6
268.10629	0.8
269.08072	2.0
278.09460	1.2
279.10315	1.6
281.08130	1.0
282.08774	4.2
283.09799	1.3
284.10519	2.4
293.11664	5.3
294.12585	1.3
297.11212	14.4
297.14484	1.0
299.12714	7.3
301.11829	4.7
310.08228	1.3
310.11813	1.6
311.12717	7.2
313.09924	0.7
325.10751	1.4
325.14252	8.4
338.40131	0.9
343.17328	100.0
344.17725	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	343.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.1
57.07071	4.2
58.06598	1.4
60.14001	0.5
62.06075	0.6
62.98239	2.4
65.17937	0.6
67.05491	1.0
69.07065	0.7
71.08612	1.4
72.81039	0.5
78.70471	0.6
79.05478	1.1
81.07055	1.1
95.08607	1.4
105.07023	0.8
107.08556	0.6
108.42056	0.6
109.10138	1.5
121.10178	0.7
131.04875	0.9
149.05997	0.6
162.03072	1.5
174.18555	1.4
178.41620	0.6
190.02580	3.0
205.04935	14.7
219.06514	2.5
221.04268	0.8
230.24821	1.2
231.25273	0.8
240.23279	1.5
273.11234	1.8
282.08725	1.2
285.07574	0.8
286.31079	1.1
287.31393	0.9
299.09216	0.9
309.07574	0.7
313.07031	2.7
321.22537	3.7
325.14505	1.0
325.21097	2.2
339.23837	3.2
342.37280	21.2
343.11844	5.3
343.22131	100.0
343.37592	19.8
343.75137	1.0
344.22385	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	343.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
57.07066	4.7
58.06592	0.6
62.06082	1.8
63.40672	0.3
67.05482	1.1
69.07063	0.7
69.77273	0.7
69.77634	0.7
71.08621	1.7
72.08142	0.6
79.05480	0.5
81.07043	0.9
81.89262	0.3
85.10165	0.4
88.07581	0.4
90.51196	0.3
91.05468	0.3
93.07045	0.9
94.43999	0.3
95.08618	0.3
98.23383	0.5
100.67377	0.3
101.23447	0.3
109.10125	0.6
122.44537	0.3
156.17468	0.9
174.18494	2.0
175.18834	0.8
190.02547	0.4
191.07002	0.6
205.04926	2.8
212.23584	0.4
219.06470	2.0
229.11691	3.1
230.24728	1.5
231.25031	1.0
233.08101	0.6
240.23175	0.6
261.11130	0.4
273.11197	0.6
277.21698	0.6
317.29221	0.4
324.36365	0.3
342.37250	26.9
343.22125	100.0
343.37573	27.3
344.22519	5.3
344.31555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2217
Annotation	E-64d
Peak:m/z	Relative Intensity
53.03934	1.1
57.07064	1.9
58.06586	1.1
62.06080	0.7
65.03896	0.7
67.05493	0.8
69.33760	2.5
69.34124	1.0
71.08607	0.9
72.08138	0.7
79.05484	6.0
81.07049	22.7
91.05469	3.0
93.07043	1.8
95.04973	0.9
95.08553	0.6
96.71657	0.5
105.07014	0.8
109.06515	3.0
119.04891	0.6
121.06464	0.7
126.22623	0.6
142.90311	0.6
149.09564	0.7
153.01772	0.7
162.03120	0.6
165.05435	1.2
174.18535	1.1
177.05545	0.6
190.02614	1.1
193.13670	0.5
205.04950	4.6
205.08669	0.9
207.10103	3.6
219.06561	0.9
240.23235	1.4
267.06873	0.6
273.11090	0.8
281.08133	0.6
282.08789	1.0
285.07520	0.7
299.09094	0.8
313.07062	3.9
315.16016	0.9
328.09488	0.7
342.37256	8.6
342.74170	0.9
343.11783	7.2
343.22125	100.0
343.37610	7.5
344.22455	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	343.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
54.14500	0.5
55.01855	0.8
55.05507	3.7
56.05024	4.3
57.03424	0.6
57.07056	0.7
59.69447	0.4
65.03925	0.7
67.05500	5.1
69.07057	3.8
69.49213	1.0
69.49590	0.8
71.04967	2.2
78.04680	0.6
79.05482	4.8
81.07045	11.7
83.05009	0.9
83.06089	24.4
83.08624	2.8
84.04491	93.6
85.02892	2.2
85.04817	1.5
85.06529	1.8
91.05467	8.5
93.07025	5.7
94.04132	0.7
95.04954	2.0
95.08014	1.1
95.08591	14.9
97.06506	1.7
97.10156	1.1
99.08051	1.0
101.07125	11.4
102.05523	16.1
103.05454	1.6
105.04492	0.7
105.07020	5.6
106.07415	0.6
107.04935	4.1
107.08588	2.8
109.06527	0.6
109.10141	2.7
111.08044	0.7
115.05421	1.3
117.07001	1.1
119.08577	5.2
121.06499	3.5
121.10096	1.6
122.03628	0.7
123.04443	0.9
123.08017	0.9
124.05171	1.1
124.35342	0.5
128.06207	2.8
129.06557	44.7
130.04980	100.0
131.05132	1.7
131.08527	2.4
133.06546	0.9
133.10117	3.3
135.08078	0.7
135.11681	1.9
137.05971	4.5
137.13239	0.9
145.06461	1.3
146.03593	0.8
147.07620	34.4
148.06078	3.2
148.07982	0.9
149.06061	0.7
151.07532	0.8
152.04680	0.7
153.05399	1.6
156.05659	0.7
157.06429	4.1
158.92654	0.6
161.05959	3.5
161.09618	1.2
161.13211	7.0
163.07573	1.3
166.06244	2.5
166.07652	0.7
167.07008	10.5
173.05949	0.6
174.06709	4.8
175.07487	4.3
179.14285	9.3
181.06949	0.9
181.08554	18.7
189.09076	21.7
190.07826	0.8
190.09436	1.1
191.08463	0.9
195.08018	1.0
196.16931	2.3
205.10136	0.6
208.08812	0.8
214.17952	1.9
219.08142	0.7
219.10124	0.9
233.09634	0.7
236.07927	1.0
239.06752	0.7
247.07585	1.3
251.10573	0.8
253.08670	0.6
265.08487	1.6
280.19003	1.8
283.13226	2.6
293.11536	1.3
297.10983	0.9
298.19940	1.0
299.08847	0.7
299.12619	0.9
307.20062	0.8
308.18439	3.1
311.12668	5.1
312.13339	0.6
319.08463	0.6
325.21155	3.4
326.19495	2.4
343.11603	0.8
343.15314	7.7
343.22141	2.3
344.15491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09262	11.5
55.05487	16.6
57.07068	14.8
58.06570	13.0
67.03269	12.6
67.05492	32.2
69.07045	20.6
70.01655	23.9
70.01980	13.8
70.47948	9.9
71.04970	29.3
79.05496	27.8
81.07032	24.9
91.05444	24.2
93.07025	86.4
95.04957	47.5
95.08590	81.0
97.06500	16.5
98.22829	16.7
105.07016	85.6
107.08596	55.4
109.06503	12.4
117.07007	32.2
119.08586	30.2
121.06481	20.2
123.08039	33.5
133.06538	13.3
133.10095	20.5
135.08017	40.7
143.08574	15.1
145.10072	94.0
147.08064	14.9
151.07545	47.3
153.01715	11.5
163.11163	85.0
173.13272	11.7
177.09081	21.0
189.12556	12.4
203.14229	15.9
205.04900	16.9
221.15398	33.9
240.23251	40.8
254.96655	12.7
282.08774	13.4
282.27814	13.8
285.07385	15.0
299.08780	16.8
313.06958	41.9
343.11746	82.6
343.22394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.28085	1.8
55.01841	3.9
55.05493	9.6
57.03404	5.9
57.07045	5.6
58.06585	1.7
59.04969	5.5
67.05488	13.9
67.08387	1.9
69.03397	5.8
69.07040	3.9
71.04980	17.1
71.10198	1.7
73.93126	1.7
79.05470	16.1
81.03400	2.2
81.07041	21.9
82.79430	1.8
83.04947	3.4
83.08590	2.8
85.06519	2.5
91.05461	19.7
93.07023	49.6
94.84497	1.6
95.04951	39.9
95.08013	2.9
95.08591	49.2
97.06510	12.0
98.23537	3.9
105.07011	50.9
107.04916	3.3
107.08578	39.3
109.06496	13.3
109.10107	5.5
115.05417	2.8
115.07524	1.9
117.07004	18.5
119.08547	17.2
121.06474	11.9
121.10100	11.4
122.07260	2.5
123.08038	18.9
123.43936	1.7
128.06137	2.0
128.21642	1.6
129.06970	3.6
130.07782	11.2
131.08495	6.8
133.06439	4.1
133.10091	13.9
135.08018	25.7
135.11670	14.0
137.05899	3.5
137.09613	3.5
141.31682	1.8
142.07733	2.2
143.08487	9.1
145.10095	71.6
146.10399	2.5
147.08038	10.0
147.11647	3.0
149.05849	1.7
149.09589	2.4
151.06346	3.0
151.07510	44.0
152.07817	2.0
153.09039	3.0
155.08438	2.5
157.10071	9.4
159.11604	9.3
161.09557	6.9
161.13199	3.9
163.07497	2.2
163.11150	69.2
164.11423	2.1
165.09094	13.2
169.10069	3.4
171.11635	3.5
173.13203	4.5
175.11111	4.4
177.09024	4.7
179.07002	3.6
179.10565	2.1
180.10910	1.7
181.10210	2.2
181.12160	4.1
187.11118	3.7
189.12706	7.4
191.14262	3.6
203.14244	7.8
207.09990	4.1
207.13747	5.9
209.13249	3.3
209.15244	4.1
213.12805	2.1
215.14261	3.5
217.12163	2.5
221.15314	35.7
225.12744	3.3
233.15311	5.1
241.15810	3.4
263.16296	6.5
269.15317	3.9
286.19116	3.9
287.16360	2.5
287.19742	1.7
307.20410	3.1
325.21530	10.3
343.11655	2.7
343.22528	100.0
344.22760	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03950	4.5
53.47187	2.8
55.01863	7.3
55.05505	20.2
57.03428	9.9
57.07066	8.9
59.05002	6.5
65.03944	3.1
67.05490	24.5
69.03424	14.2
69.07061	10.6
71.04980	21.4
75.48141	2.7
79.05473	27.3
81.03432	4.0
81.07049	39.0
83.04984	9.3
85.06522	5.2
87.04442	3.1
91.05470	45.4
93.06445	5.2
93.07032	78.7
95.04958	68.6
95.08591	99.2
97.06532	19.6
98.23589	4.5
103.05464	7.5
105.07019	100.0
105.98913	2.5
106.07352	4.2
107.04927	4.5
107.08572	53.9
109.06519	24.6
109.10153	4.8
112.39806	2.3
115.05458	8.8
117.07005	33.8
119.08559	29.8
121.06475	19.2
121.10098	18.0
123.08056	35.2
125.06010	3.6
128.06161	3.5
129.06975	9.9
130.07787	21.5
131.08566	9.8
133.06468	4.9
133.10124	21.1
135.08055	23.1
135.11691	18.3
135.12680	2.4
137.09627	4.0
141.07021	4.8
142.07785	2.7
143.08531	14.8
145.10098	93.3
147.08046	21.3
147.11702	5.2
149.06004	2.9
149.09616	6.0
151.07523	56.2
155.08606	3.1
157.10068	7.9
159.08101	5.4
159.11705	6.3
161.09541	12.6
163.07504	3.3
163.11150	63.3
163.12421	4.3
164.11407	3.6
165.09087	19.7
166.08600	3.1
171.11658	7.4
173.09641	6.7
175.11154	6.4
177.09090	9.2
179.06966	5.4
183.11714	2.8
185.13220	5.6
187.11174	6.3
189.12755	9.5
194.10841	3.1
197.13252	5.8
201.12640	4.7
203.14372	9.1
207.10071	4.9
207.13824	7.5
209.15358	3.9
215.14320	6.2
221.15332	27.6
225.12701	3.6
233.15456	4.1
240.23090	2.9
263.16458	6.5
269.15311	3.4
286.19324	7.4
325.21515	9.6
343.11472	6.7
343.22485	60.7
343.75287	3.9
344.22858	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	343.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25146	3.3
55.01854	8.4
55.05510	25.4
56.64698	3.6
57.03415	13.5
57.07061	9.0
59.04996	4.8
67.05488	39.2
69.03410	11.3
69.07058	8.2
69.76925	8.1
69.77299	6.0
71.04979	29.5
73.24074	3.5
79.05492	28.6
81.03407	4.2
81.07049	29.1
83.04964	8.8
85.06512	8.3
91.05471	47.1
93.07035	86.3
95.04958	86.6
95.08594	96.1
97.06521	18.2
105.07018	100.0
107.04914	4.5
107.08582	53.7
109.06534	20.7
109.10119	6.2
111.85535	3.8
115.05449	5.1
117.07002	32.9
119.06018	3.9
119.08556	30.7
121.06435	20.6
121.10098	17.7
122.07326	4.2
123.08073	33.1
128.06192	5.5
129.06970	8.9
130.07797	24.6
131.08525	13.4
133.06485	10.4
133.10130	21.1
135.08026	32.0
135.11717	20.6
137.09581	7.0
143.08534	16.6
145.10109	87.4
147.08023	21.2
149.09669	5.5
151.07518	60.1
153.09065	4.8
157.10103	9.7
159.11652	9.2
160.11438	3.6
161.09555	10.3
163.11160	80.3
165.09106	20.8
167.08542	4.2
169.10118	5.6
173.09508	4.1
175.11267	6.9
177.09071	5.1
179.07045	5.2
179.08589	4.5
180.59245	4.3
183.11703	6.8
185.13220	6.4
187.11183	6.5
189.12642	9.5
191.14301	5.7
195.11777	4.9
197.13293	4.9
201.09248	3.7
203.14337	9.6
207.09995	5.5
207.13722	7.5
207.52443	3.8
209.15254	3.8
215.14195	6.8
217.12196	5.4
218.98598	3.6
221.15334	33.1
226.54135	3.8
239.52518	4.3
240.23180	20.8
263.16174	7.6
269.15369	5.2
286.19150	5.7
299.09009	5.6
307.20828	4.8
313.06998	14.0
325.21548	9.4
343.11868	18.5
343.15729	4.2
343.22604	96.3
344.22940	8.0
344.31586	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	344.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90422	1.0
55.05510	1.1
56.96564	1.4
65.03934	3.5
69.27084	5.1
74.43730	0.9
78.04680	0.9
78.65459	0.8
79.05487	0.9
81.07063	1.1
82.06583	0.9
89.03918	1.7
91.05470	6.6
92.04971	2.2
93.07034	2.1
95.08575	1.3
96.90364	0.9
98.23471	1.9
103.05473	3.3
104.99239	5.0
110.06030	100.0
111.04442	3.1
111.06376	2.1
117.07021	2.0
119.08552	9.5
131.04941	2.1
132.05682	3.0
133.02901	1.0
135.08011	4.4
145.02829	28.6
159.04379	6.4
168.08095	1.5
173.02338	3.9
176.04672	14.5
180.08093	1.9
181.06532	2.1
191.03391	1.7
191.07014	47.8
192.07405	1.5
196.07616	4.6
203.03362	26.2
206.05984	3.6
208.07504	1.4
218.06001	1.9
221.04393	13.4
224.07082	10.4
225.07518	0.9
234.05441	1.7
235.05972	6.6
236.07008	4.3
251.05659	1.3
252.06519	51.1
254.14421	1.5
262.04883	1.5
262.98196	4.0
280.06006	27.4
284.09253	2.9
294.07510	1.2
312.08566	8.0
326.10144	1.7
344.21173	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83509	0.5
55.01847	0.5
55.05511	1.1
57.03413	0.9
67.01344	0.4
67.05480	1.7
68.99757	1.1
69.03410	0.6
69.07039	1.1
69.39031	2.4
73.28033	0.5
74.06070	44.7
79.05479	1.9
80.04992	2.5
81.03397	0.8
81.07032	1.9
84.04481	4.8
91.05464	2.2
92.07027	0.6
94.06551	0.8
95.04950	1.4
95.08595	1.5
98.22718	1.2
102.05525	1.6
103.05448	0.6
104.04957	1.2
105.03352	0.7
105.05754	3.5
105.07014	0.6
107.04932	0.9
107.08618	1.0
109.02867	0.7
109.10109	0.9
115.05434	1.2
117.05717	0.8
118.06506	2.0
119.08558	0.5
120.08081	5.2
121.02887	0.6
121.06490	0.6
121.10136	0.7
123.04356	0.7
123.06713	0.7
128.06213	2.0
129.06958	1.5
130.04967	2.9
130.06500	0.8
131.04962	1.1
132.04427	1.1
133.02911	3.2
133.05209	34.8
136.07567	3.3
137.06087	0.7
141.06972	3.5
145.06454	1.5
147.04366	0.6
147.06769	2.5
148.06198	3.1
148.07547	100.0
149.07904	2.2
152.06079	0.7
153.06950	2.4
155.04872	0.8
157.06435	1.0
161.13373	0.7
168.05814	0.6
169.06482	3.6
170.06830	0.7
171.08047	0.8
173.05943	1.3
179.03380	4.8
179.04814	0.8
179.14139	0.5
181.06429	3.9
183.04384	1.8
185.05901	0.9
191.03355	2.7
195.07942	0.7
197.05963	7.7
199.07521	2.2
201.05423	5.2
208.05252	0.7
209.06079	0.5
215.06985	2.3
225.05431	7.5
226.06189	0.7
229.04948	2.9
243.06488	3.1
249.05414	1.0
253.04910	5.0
254.05678	3.9
267.06445	7.3
268.07040	0.9
271.05957	27.6
272.06345	1.2
276.06888	0.6
281.08032	0.9
294.07446	0.6
298.11499	0.6
299.09100	0.9
312.12961	0.8
326.10226	7.9
344.11307	14.1
344.15414	0.9
345.11731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.2
55.01873	5.7
56.96533	4.2
59.04988	1.3
60.04483	1.5
61.02910	2.0
62.59182	1.1
69.03424	7.2
70.06544	1.7
70.38578	1.0
71.43843	1.1
73.02894	1.3
77.03906	1.8
79.05456	3.1
81.03391	2.7
83.01330	12.4
84.04503	1.0
85.02902	8.0
91.05428	4.7
93.07003	3.9
95.04929	2.5
96.04396	1.3
97.02847	4.1
98.97514	3.3
104.04964	9.5
105.03333	4.3
105.06980	2.6
105.07658	1.2
107.04910	1.7
108.64040	0.9
109.02835	3.2
109.06482	1.1
109.20640	1.0
110.97478	1.3
115.05430	2.7
116.98566	1.1
119.04918	1.2
121.05166	1.7
122.05953	4.2
122.07005	1.0
123.04376	1.1
123.93609	1.1
126.05460	1.3
127.03777	1.2
128.06207	2.1
129.06984	38.3
130.93233	1.9
132.04431	36.1
133.02768	4.6
133.06442	5.9
136.07564	8.4
137.05913	4.1
141.06912	3.4
142.98923	1.2
145.06337	1.4
146.05980	8.8
147.04321	2.5
149.02275	2.3
149.04712	1.5
150.04602	1.0
150.05492	10.1
153.06831	1.4
157.06473	16.7
161.05911	3.1
164.07034	25.6
165.01740	1.8
165.06973	11.0
167.08493	2.9
169.06369	2.4
171.04350	1.1
172.79660	1.1
172.94258	3.1
174.96010	1.3
177.00569	1.8
177.01764	4.6
177.06854	1.6
178.07762	6.3
179.08533	22.3
180.05678	5.8
181.06310	4.7
182.08122	14.8
183.07921	2.5
185.04594	1.2
185.05952	14.7
189.05357	4.1
189.06897	6.7
190.07736	7.8
190.95309	2.5
191.08528	16.7
193.06441	5.9
195.07860	1.8
197.05881	1.7
201.00807	2.8
203.02306	2.2
205.06401	1.8
207.08011	14.9
208.96539	1.4
209.05864	2.9
211.07350	1.9
213.00801	1.2
213.05397	2.1
216.96866	2.6
217.06473	7.3
218.07248	5.6
219.01889	5.9
219.08031	19.9
221.05943	16.2
222.06248	1.5
223.07405	1.5
225.09064	1.6
231.01875	1.9
235.07495	38.8
236.07773	2.2
239.06918	1.2
243.01974	10.5
245.05966	15.1
246.06523	1.8
246.97881	1.8
247.07520	10.3
249.05437	55.0
250.05647	2.2
255.01839	4.7
260.95779	4.3
261.03021	6.9
262.08612	1.3
263.06989	72.3
264.07166	3.8
265.08490	2.6
267.06244	1.6
273.02792	1.9
273.05304	5.1
281.07883	3.0
285.02725	1.3
290.07986	2.0
291.03522	1.5
291.06436	19.7
302.96872	2.0
303.03815	1.4
309.07303	2.1
320.97739	1.9
327.08270	2.3
344.10989	100.0
345.11353	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	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
61.02924	0.8
69.03415	3.2
70.68716	1.1
76.72739	0.6
81.03438	0.9
85.02901	13.6
91.05476	5.1
97.02889	5.2
97.03989	0.7
100.58745	0.6
105.90626	0.8
109.02848	1.7
119.04932	17.6
123.04395	2.0
127.03911	3.1
145.04951	3.4
147.04391	100.0
148.04755	3.5
165.05466	59.2
166.05774	2.4
180.08588	1.5
182.08057	1.1
218.38181	0.7
224.00865	0.6
317.03943	0.7
342.36700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01867	0.8
55.93495	0.5
57.03418	1.0
61.02907	1.9
69.03417	4.4
69.78955	0.8
73.24230	0.5
81.03403	1.4
81.58630	0.5
85.02889	17.4
91.05457	5.3
97.02885	3.4
99.04465	0.6
106.01331	0.5
109.02843	1.4
111.78369	0.6
119.04922	18.1
123.04446	3.0
127.03894	2.1
145.04903	3.5
147.04379	100.0
148.04721	3.3
149.03110	0.5
165.05449	47.1
166.05786	1.5
180.08649	1.3
182.08057	0.9
194.97406	1.9
212.98489	0.8
223.97566	0.7
226.10576	0.6
243.20676	0.5
250.61690	0.5
291.57425	0.7
332.16083	0.6
343.99664	1.6
346.50879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.2
51.76262	0.8
53.03937	2.7
55.01867	1.1
57.03423	3.3
59.04977	1.0
61.02923	5.4
69.03421	14.9
69.03793	1.1
70.61887	1.0
70.95913	1.5
71.04987	1.3
73.02917	3.3
77.03924	3.9
79.05479	5.9
81.03419	4.6
85.02899	20.0
85.72243	0.7
87.04456	3.2
91.03947	1.2
91.05471	9.0
93.05760	1.4
93.07032	9.8
94.06563	1.3
95.04959	7.1
97.02880	8.0
98.97556	1.2
99.04407	1.7
103.12659	0.8
104.04982	22.3
105.03384	11.5
105.04508	3.2
105.05216	0.9
106.06548	2.9
107.04973	1.6
108.08122	1.2
108.08865	0.9
109.02859	2.7
109.06509	3.6
121.05260	2.8
122.06000	9.1
123.04428	2.6
127.03893	3.3
132.04437	100.0
133.02829	14.2
133.04779	3.3
134.05998	3.0
136.07555	24.3
137.05954	8.9
138.09119	2.7
145.04935	1.8
146.05997	18.0
148.03828	1.1
148.07535	1.9
149.04715	5.4
150.05486	29.3
151.03836	2.1
154.08571	2.0
164.07047	71.6
165.07397	1.7
166.08607	2.4
168.06555	1.6
174.52002	0.8
178.14087	0.8
182.08109	36.3
197.32489	0.9
235.07542	0.9
303.12524	0.9
344.13385	48.4
345.13803	2.6
346.20993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73201	13.2
56.96552	35.3
57.76206	12.1
69.03439	11.5
70.77333	22.3
80.45777	11.4
81.47187	11.1
104.99279	100.0
107.08568	16.0
109.67682	13.1
226.11145	67.8
244.12225	42.0
262.98111	59.9
312.15735	19.7
314.17114	17.7
334.53635	15.2
344.15207	31.8
344.31805	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	7.4
55.05511	9.1
57.03432	8.6
58.30637	4.6
59.21630	4.4
61.02913	11.2
67.05493	10.1
69.03407	22.0
69.07050	7.6
69.33510	4.2
70.06587	6.7
70.64549	4.3
72.02446	4.2
72.08132	7.4
73.28157	4.2
79.05492	10.6
81.03403	11.1
81.07037	19.2
83.08585	6.7
84.04523	4.3
85.02890	46.4
86.09682	7.6
91.05479	8.9
93.07065	8.3
95.08598	10.8
97.02882	18.1
100.11236	24.8
103.05419	5.8
105.07034	25.8
107.08566	8.7
109.06463	5.7
109.10116	13.5
110.06004	6.6
111.04421	10.5
116.49036	4.3
119.08590	5.7
124.05198	26.5
127.03902	5.9
133.06497	13.0
133.10168	5.7
137.05963	43.5
137.09578	6.4
145.04935	18.0
151.11191	5.3
155.06964	5.5
165.09090	100.0
209.16386	6.5
230.25914	4.8
343.30704	12.8
343.75012	5.7
344.11563	6.9
344.22025	10.5
344.30817	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	344.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.1
57.03424	1.3
59.04992	31.0
61.02906	2.4
69.03418	6.5
70.06567	2.1
71.04996	0.7
72.08138	1.8
77.06019	1.0
79.05446	0.8
81.03403	3.2
83.01330	4.4
84.08119	1.8
85.02891	24.9
86.09662	1.0
89.06011	10.7
91.03925	1.3
91.05458	6.3
95.04952	1.3
97.02885	7.6
99.04419	1.5
103.07565	38.3
104.07872	0.8
105.03352	0.9
106.04166	1.0
107.04948	1.0
109.02870	2.9
119.04926	18.0
120.08138	0.7
123.04424	2.3
127.03899	4.0
128.06226	1.1
129.06996	4.5
131.04935	1.0
132.04454	0.7
133.02834	2.3
133.08569	4.6
134.03661	0.9
135.04362	0.9
136.07509	1.2
137.05991	1.1
141.06981	0.8
145.04941	5.0
145.06480	1.0
146.05991	6.0
147.04381	100.0
148.04749	3.9
148.07489	0.8
149.05933	1.2
151.03889	1.1
151.06265	2.7
153.06984	0.9
157.06461	3.4
158.06854	0.8
164.07031	1.4
165.05463	44.8
165.06921	2.1
165.11195	55.6
166.05785	1.1
166.11501	0.9
167.08517	1.0
169.06470	1.2
173.05888	0.9
175.07521	0.9
178.07710	1.4
179.08551	2.3
181.06467	1.3
182.08163	0.9
183.04802	1.1
183.06265	6.1
183.07936	1.5
185.05876	3.4
191.08525	1.7
193.06543	1.2
195.72639	0.7
197.06036	1.0
202.08705	0.9
207.08066	2.7
209.09555	0.8
211.07516	1.7
218.07433	0.8
219.08005	1.3
221.05861	0.7
225.08957	1.3
235.07539	4.4
237.09009	1.0
239.06906	0.9
242.08025	0.7
249.05505	1.4
253.08609	2.2
263.06927	4.8
281.08057	2.3
286.03897	1.2
291.06384	1.6
299.09103	0.9
304.04843	2.9
316.99100	0.7
322.05975	0.7
326.10065	1.0
344.11050	24.8
345.07782	1.6
345.11530	7.1
345.14929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2218
Annotation	Polysignine
Peak:m/z	Relative Intensity
55.01854	1.0
55.05514	2.0
55.32513	0.8
55.61088	0.8
57.51929	0.8
58.06584	2.0
60.09148	0.8
67.05495	3.5
69.07053	2.7
70.06585	3.3
70.28362	0.9
70.97487	0.9
79.05483	6.6
80.05028	0.9
81.07026	3.4
83.08595	1.0
84.08112	0.9
91.05464	6.9
93.06472	1.1
93.07019	8.3
94.06549	1.5
95.04902	1.5
95.08585	3.3
96.08134	6.1
103.05462	10.5
104.99258	1.7
105.07004	7.5
107.04927	6.5
107.08575	3.7
108.08099	15.6
109.10107	1.1
110.09657	1.8
117.06987	2.4
119.08585	2.5
120.08069	3.4
121.10133	1.0
122.09644	9.8
123.10416	2.1
129.06961	1.1
130.06494	4.7
131.04916	6.0
131.08554	2.4
132.04430	10.7
132.08073	2.0
133.02844	2.4
133.10091	1.9
135.11653	2.8
136.11224	5.0
142.08591	4.4
143.08546	1.2
145.10106	1.9
149.06047	1.0
149.07072	5.2
150.09282	1.0
150.12750	23.9
151.13548	6.5
152.14313	3.4
159.08058	0.8
159.11627	1.3
161.09637	0.9
164.07101	0.9
165.07018	0.9
166.12215	0.9
180.10159	5.5
198.12857	1.1
200.14342	1.7
212.14276	1.0
228.10121	1.0
236.07051	3.3
246.11200	1.5
246.14912	2.1
254.19005	3.3
256.13065	1.0
262.98242	1.3
270.14780	2.4
298.18094	1.4
300.19534	100.0
301.19916	6.5
302.21109	2.6
344.22144	85.1
344.25638	3.5
345.22601	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	27.2
67.05494	32.5
68.27586	17.6
69.07056	83.1
72.98641	17.7
79.05475	52.7
81.07023	47.5
89.67019	17.5
91.05497	48.5
93.07011	40.5
95.04935	52.4
95.08609	30.0
97.06498	48.9
104.99254	100.0
105.07005	34.1
107.08608	18.0
109.06499	25.5
115.07531	23.6
119.08571	26.0
121.10130	30.6
172.16489	18.1
236.51398	18.7
262.98108	76.2
314.07181	90.0
343.75366	41.2
344.11920	73.1
345.11832	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47246	45.5
76.84989	8.8
83.08622	10.5
91.43436	8.8
99.04437	100.0
104.99255	74.8
106.21326	10.5
117.05534	11.0
161.13239	18.0
172.29553	9.9
179.14299	25.8
262.98041	49.9
314.07355	11.7
318.85516	11.0
343.75192	33.1
344.11700	12.7
344.25089	12.3
344.31650	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2541
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
55.01867	0.5
55.05504	3.5
57.03407	0.5
58.06587	1.2
60.04538	0.4
67.05485	0.8
69.03407	0.5
69.07059	6.6
69.10117	3.0
70.06577	1.0
71.04967	0.6
72.08145	46.1
79.05478	0.6
81.03400	0.5
81.07016	1.1
83.46136	0.4
85.02902	0.5
86.09693	100.0
87.10033	1.8
91.05472	1.3
93.07063	0.7
95.04947	0.7
97.02864	0.7
97.06509	0.6
98.22720	1.0
98.49149	0.4
99.08257	0.4
105.07036	0.5
107.08508	0.6
109.06437	0.6
109.10152	1.0
109.46115	0.4
121.06477	0.4
131.04834	0.4
132.10205	2.3
133.02838	0.5
133.10106	0.5
135.04431	0.9
137.05983	0.7
137.09572	0.8
138.74107	0.4
147.04402	0.6
151.03883	0.6
151.06282	1.0
158.11734	0.6
162.09067	0.5
163.03859	0.6
165.09154	0.6
177.09117	0.9
180.51152	0.4
183.13844	1.0
185.16467	46.9
186.16765	1.8
197.06084	0.5
198.09099	0.5
199.17984	0.9
213.15948	22.4
214.16347	1.0
216.10167	1.0
227.17691	0.5
231.16966	5.7
235.07471	0.5
245.18661	1.0
253.08511	0.6
281.08047	0.6
284.09308	0.8
344.11642	0.7
344.17279	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.9
56.05021	5.3
56.81096	1.8
57.07071	8.7
57.07296	1.6
58.06589	1.9
58.07382	1.8
65.27025	1.8
67.05493	6.4
69.07061	5.2
69.93695	5.7
71.04993	2.3
71.08618	5.0
71.31628	1.9
74.06078	11.4
79.05468	4.5
80.81087	2.2
81.07036	9.9
83.08591	4.0
88.07626	28.5
91.05466	4.8
93.07034	6.1
95.08595	4.3
98.22712	2.0
102.05529	2.4
104.99271	9.0
105.07011	3.3
107.08572	3.0
109.10174	4.0
119.08604	2.7
121.06507	2.4
121.10143	2.8
135.11612	1.7
139.11206	2.4
149.13290	3.1
149.74080	1.6
162.03044	3.6
170.02736	1.8
176.56830	1.8
190.02571	5.1
204.33495	1.6
205.04974	33.4
206.05290	7.7
219.06584	3.9
220.06763	2.5
226.80080	1.8
229.46460	2.0
231.25279	2.2
259.20352	2.1
262.98248	5.0
277.21533	3.2
298.31058	5.2
314.07477	2.8
321.22769	6.5
327.15652	2.1
339.23856	3.7
343.37497	14.6
343.75153	2.3
344.22510	100.0
344.31616	32.4
344.38022	36.0
345.16959	4.3
345.22784	3.6
345.31934	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	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	50.6
57.07065	16.2
67.05505	28.6
69.07060	14.2
69.29941	9.7
69.30347	23.5
70.06593	35.2
71.08624	40.6
71.71405	6.3
79.05483	19.9
81.07050	24.2
83.08611	25.4
87.04459	6.4
88.07626	100.0
91.05475	10.4
93.07032	22.6
95.08591	12.3
97.10159	54.9
99.08099	26.7
100.07404	5.3
104.99271	44.1
105.07049	7.9
106.08658	22.2
107.08607	21.1
109.10149	10.7
111.08094	6.7
119.08609	5.5
121.10153	6.6
125.09624	66.8
126.10001	5.2
131.08646	6.4
135.08020	18.7
147.11737	9.1
151.11128	9.7
153.09048	9.1
157.12234	9.7
173.13177	6.9
203.12775	74.3
262.98184	26.2
270.63745	5.6
277.21625	31.2
283.26083	27.8
291.23026	8.1
309.24417	8.7
314.07336	5.9
321.20926	22.4
339.22183	13.4
344.22452	9.6
344.31586	43.8
344.35199	19.1
345.20236	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.3
55.01864	6.6
55.05507	67.4
57.07071	7.2
67.05499	38.9
69.03414	5.8
69.07061	16.6
70.06595	6.6
71.04994	4.9
71.08626	61.7
79.05482	33.1
81.07045	29.8
83.04965	8.4
83.08607	35.7
85.06555	3.8
88.07614	9.7
91.05466	10.9
93.07035	28.8
95.04958	5.8
95.08595	16.9
97.06509	4.2
97.10162	72.0
98.23494	9.0
99.08077	59.6
103.30048	3.9
104.99261	19.9
105.07029	11.2
107.08583	41.2
109.10116	12.6
109.98467	4.2
111.08055	6.6
119.08566	6.6
121.06452	5.3
121.10146	7.6
125.09621	82.6
133.10115	10.4
135.08038	22.2
135.11710	4.8
140.14360	10.9
145.10120	7.5
147.11732	6.6
149.13208	8.7
151.11186	9.6
153.09106	22.2
157.12282	4.9
159.11620	4.4
161.13281	6.1
163.11163	4.8
171.10205	6.8
171.11658	4.3
173.11781	5.9
179.14264	5.6
190.02632	14.3
203.12750	100.0
203.14613	6.8
205.04958	83.8
206.05313	16.2
219.06526	7.1
219.50606	3.5
226.17941	5.9
231.21069	5.4
241.19560	6.6
258.80499	5.2
259.20505	6.1
262.98148	19.7
274.11493	4.0
277.21588	49.6
278.21982	5.5
291.23135	9.4
309.24197	13.9
326.14667	7.7
327.16129	4.8
344.12164	5.7
344.35089	25.5
345.16956	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	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	28.5
57.07070	13.4
58.06589	7.5
65.49687	5.3
67.05491	69.7
69.07065	17.3
69.88083	6.1
70.06573	7.2
79.05481	25.4
81.07050	32.5
83.08609	13.0
88.07635	9.9
91.05472	14.4
93.07035	26.1
95.08611	27.4
97.10159	11.5
104.99241	31.2
105.07010	7.4
107.08603	15.8
109.10143	52.1
116.18607	5.9
119.08576	15.1
121.06480	7.5
121.10121	10.6
123.11662	6.6
133.10088	8.6
139.11203	6.4
146.07031	5.9
147.11690	7.9
155.10664	8.7
157.22588	6.1
162.03145	13.0
173.11731	65.8
183.70834	6.3
187.13245	10.8
190.02615	15.1
205.04930	100.0
206.05238	12.6
206.43932	6.4
219.06494	10.8
220.06969	12.0
242.33568	5.6
262.98163	22.0
277.21603	19.8
298.82355	6.6
306.21786	6.3
343.37689	16.3
344.11737	7.2
344.21924	8.2
344.25760	33.8
344.31467	14.2
344.38297	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	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28082	4.3
55.01854	7.1
55.05296	4.6
55.05506	51.0
55.19058	3.8
57.07072	4.7
62.80701	4.9
67.05501	33.1
69.03401	7.5
69.07040	12.5
69.30277	10.4
69.30682	14.4
71.08620	86.1
74.93842	3.9
74.94274	4.0
77.43095	5.4
79.05480	22.4
81.07042	28.8
83.08615	33.4
91.05464	14.6
93.07039	24.3
95.08591	8.4
97.09569	7.6
97.10155	68.3
99.08084	70.6
100.13463	3.9
104.99258	20.2
105.07006	7.8
107.08575	33.8
109.06513	4.8
109.10136	8.7
111.08053	4.9
115.76047	4.2
117.06956	6.7
119.08591	5.9
121.06445	7.5
121.10122	9.8
125.09615	62.1
131.34137	3.8
133.10121	6.2
135.08015	17.7
135.11664	10.5
139.07536	13.2
149.13336	5.1
151.11147	21.2
153.09065	13.6
157.12178	10.7
159.11697	5.5
161.13258	11.8
162.03099	11.6
163.11165	20.6
171.10164	8.9
171.11626	4.7
179.14323	8.0
190.02570	16.4
203.12744	82.9
205.04947	100.0
206.05264	16.9
219.06499	8.6
241.19571	7.8
259.20514	16.0
262.98111	9.7
275.12622	8.6
277.21591	74.8
291.23154	20.5
309.24133	18.8
327.15909	12.1
344.15656	6.5
345.16797	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	345.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16377	0.7
56.96552	5.6
57.86730	0.7
98.97570	22.7
101.00832	1.2
102.96832	1.3
116.98615	15.0
119.01881	1.4
120.97912	0.8
121.48349	0.6
122.30319	0.6
123.98641	0.7
125.89820	0.6
134.99644	5.7
158.99881	1.7
177.00925	15.0
178.01059	1.0
179.00636	0.9
182.99963	2.2
201.00903	7.5
202.01001	1.1
206.92068	0.8
216.98833	1.7
219.01976	100.0
220.02098	10.9
228.90079	0.9
234.99956	3.0
235.02185	0.7
236.99590	0.8
238.95593	1.5
240.98894	2.3
242.03506	4.5
243.01958	1.6
243.46330	0.8
255.02043	0.9
256.96561	9.1
257.96689	1.0
258.99860	9.3
260.00027	1.9
260.99686	2.2
261.03021	2.8
263.02850	1.2
270.91125	1.2
273.03113	1.1
274.97592	5.4
277.00952	6.1
278.01059	2.0
278.97040	1.4
279.00702	1.5
279.98169	1.0
280.96591	2.6
282.99973	14.9
284.00082	2.9
284.99747	2.2
285.02734	1.0
288.92072	1.4
292.98483	1.5
298.97650	37.6
299.97742	4.0
301.01013	19.0
302.01196	4.0
302.97296	1.7
303.00854	4.7
318.94693	1.6
319.02026	1.2
319.44907	1.2
320.98306	2.4
321.95868	0.9
321.99133	3.8
327.00616	0.9
328.45517	1.0
345.01953	1.6
356.96512	1.1
357.96777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1153
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
66.73183	0.8
67.01607	1.3
69.03418	0.8
70.03574	2.1
70.06568	1.8
72.08149	1.0
77.88345	0.8
79.05472	1.4
79.19454	0.7
85.02885	2.1
95.31437	0.7
97.02898	2.0
98.22788	1.0
100.67673	0.7
107.04914	1.0
131.04839	0.9
133.02820	3.4
137.05948	2.1
139.07301	2.4
146.02122	0.7
147.04382	3.1
148.04701	3.3
157.06429	1.7
158.06908	0.8
165.05383	2.3
165.06935	0.8
166.05783	1.5
181.06468	0.8
183.06259	100.0
184.06607	3.1
185.04218	9.5
185.05887	1.3
203.05255	1.5
219.39508	0.7
219.75079	0.8
246.25340	0.8
281.07892	1.3
301.08807	1.7
345.11499	86.3
345.15021	5.5
346.12305	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	345.133
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
50.43279	0.9
53.66476	0.9
54.50085	0.9
55.01864	2.7
55.05534	1.2
65.03946	0.9
67.05491	1.9
69.03436	2.0
70.06575	1.4
71.04997	1.0
72.08150	1.6
73.02927	1.7
79.05488	3.1
81.03413	2.1
81.07051	3.8
83.04961	0.9
85.02892	1.6
86.09692	2.3
89.03895	1.3
91.05464	5.1
93.07048	2.7
95.04967	2.7
95.08599	2.1
97.02862	1.5
97.06534	1.1
99.04430	1.7
103.05466	2.7
105.07023	2.9
107.04934	2.0
109.02844	1.1
109.06520	2.0
109.10139	3.0
111.04457	1.2
115.05453	2.2
119.04984	1.6
119.08554	1.7
121.06499	4.4
122.03655	2.5
123.04404	1.2
125.05971	2.4
127.03859	1.5
129.07028	1.4
131.04932	1.7
133.02832	2.1
133.06454	1.6
133.10046	1.1
135.04419	2.4
137.05962	33.2
137.09619	6.1
138.06299	1.0
141.06973	1.2
143.04907	2.8
146.03593	3.5
147.04393	1.0
149.05942	6.4
149.09581	1.3
150.06752	1.0
151.03902	1.8
151.07509	1.5
153.05472	3.7
153.07004	2.0
154.07745	1.5
157.06528	1.0
160.05255	2.0
161.05954	28.9
163.03828	4.4
163.07539	2.7
165.05614	1.6
165.06987	13.1
165.09148	3.5
166.07755	1.2
167.08463	1.0
168.05690	1.3
169.06502	1.1
175.07559	5.8
177.05569	1.3
178.07785	0.9
179.07040	2.1
179.08565	4.1
181.06494	3.1
182.07268	6.1
183.08038	1.1
183.10086	1.8
188.04701	6.3
189.06905	1.7
191.07004	2.6
193.06479	12.9
193.08200	1.6
193.12216	2.2
194.07175	2.3
195.08104	2.3
196.08827	1.6
197.05936	1.6
197.09621	2.5
203.06976	15.4
205.04994	1.2
205.08510	1.8
207.08061	4.4
209.05995	2.7
209.09717	1.1
210.06726	15.2
210.08675	1.2
211.07571	4.4
217.06453	1.3
221.05959	22.5
221.08025	1.9
222.06467	2.2
223.07574	2.8
224.08237	5.6
225.09068	28.2
226.09271	1.3
227.07019	4.4
234.06796	2.9
235.07504	4.1
237.05576	1.9
238.06192	12.1
239.06947	3.5
239.10744	3.4
241.08517	1.2
242.09282	1.2
249.09041	2.9
251.07018	2.0
252.07869	4.9
253.08559	46.0
254.09113	3.4
255.06490	3.8
257.11984	1.1
267.07098	1.4
267.10135	15.0
269.08194	1.6
270.08887	6.5
273.11209	1.1
277.08533	5.6
278.09155	1.4
280.07254	1.5
285.11172	100.0
286.11392	5.8
294.08865	2.2
295.09592	9.9
299.09296	2.2
299.12653	1.6
301.13873	1.1
309.11154	13.2
310.11160	1.3
312.09894	2.1
313.10532	2.8
327.12210	66.1
328.12512	3.5
345.09793	1.4
345.13248	4.4
346.25974	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	345.1328
Annotation	Piperphilippinin I
Peak:m/z	Relative Intensity
54.05455	1.7
54.62442	1.9
55.05492	2.4
60.04519	8.2
65.03942	2.7
66.54446	1.8
66.54807	1.9
67.05487	5.7
69.03418	2.5
69.26656	10.3
70.81461	1.9
71.04985	3.8
72.08122	2.3
79.05488	7.4
81.03429	2.6
81.07038	7.8
83.04987	2.7
91.05463	13.8
93.07050	3.2
94.04141	3.6
95.04948	4.7
95.08628	5.1
103.05469	11.4
105.07033	7.1
107.04955	5.8
107.08598	3.2
109.06500	3.8
109.10162	4.9
111.04369	3.1
111.49704	1.8
115.05442	4.2
117.06998	3.7
117.39305	2.1
121.06492	9.5
121.10121	2.9
122.03592	11.0
123.04423	4.4
125.09589	2.1
126.89576	1.7
131.04903	14.1
133.02911	2.7
133.06467	13.2
133.10139	1.9
135.04376	2.3
135.08032	3.0
137.05952	100.0
137.09605	6.9
141.07018	2.1
143.04919	5.1
145.06462	3.3
147.04335	2.7
149.05986	8.1
151.03883	9.7
151.07553	7.3
153.05423	5.2
161.05931	21.3
161.06934	2.0
163.03889	3.1
163.07518	23.8
165.05537	3.0
165.06987	9.5
165.09102	5.4
174.06757	2.3
175.07512	6.1
177.09109	8.6
178.07762	2.3
179.03439	2.7
179.07085	2.0
179.08543	4.3
181.06497	4.7
182.07248	5.4
188.04715	2.7
190.02638	6.0
191.03342	10.0
191.07030	2.1
193.06500	8.4
194.07220	3.2
195.08104	3.1
197.09641	2.7
199.07428	2.2
203.07007	10.5
203.10544	2.8
205.04906	24.8
205.06564	2.7
206.05333	3.4
206.07121	2.2
207.02968	3.0
207.05267	3.2
210.06792	11.7
211.07471	4.5
219.02887	2.6
219.06476	2.7
221.05986	16.9
222.06549	2.1
223.07471	2.3
224.08267	5.8
225.05650	3.3
225.09099	24.3
226.96918	1.9
227.06967	3.2
234.06744	1.9
235.07509	4.4
238.06261	13.2
239.06998	2.7
239.10733	3.5
241.08594	4.4
251.07008	3.5
252.07809	5.2
253.08572	38.3
254.09219	3.1
255.06470	4.6
257.08142	2.3
267.10089	13.8
269.07919	2.1
270.08777	8.4
277.08511	6.2
285.07809	3.5
285.11136	66.9
286.11432	5.3
295.09540	7.8
295.12894	3.5
299.05399	2.0
299.08923	2.7
299.12384	3.8
309.11176	9.0
313.13559	2.6
327.12180	49.0
327.15616	3.9
328.12506	2.0
328.24869	2.4
345.09540	5.6
345.13266	7.8
345.19019	14.8
346.21039	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	345.1332
Annotation	MLS002695095
Peak:m/z	Relative Intensity
54.73980	1.2
57.46320	1.2
59.50601	1.1
66.27372	1.3
67.05502	1.3
77.35078	1.1
79.05463	1.6
83.04938	1.4
91.05434	3.2
94.04188	2.8
95.04988	1.6
96.02122	3.0
103.05453	6.2
104.99267	3.2
105.07003	2.5
107.01318	4.3
107.04909	1.3
111.04442	17.0
117.06968	1.2
121.06518	2.2
122.03647	6.1
125.05943	2.2
130.07767	1.4
131.04932	6.7
133.02843	3.7
133.06508	1.5
137.05965	100.0
138.06264	1.9
139.03880	17.9
143.04980	1.6
145.06487	3.4
147.04428	1.2
149.05960	2.0
151.03908	9.3
151.04979	1.6
159.04413	2.2
161.06039	1.1
163.03784	2.8
163.07518	4.6
164.62445	1.1
165.09161	1.4
167.07033	1.5
175.07547	3.6
187.07480	1.5
191.07054	2.1
193.08575	2.6
203.06961	1.3
205.04877	1.8
245.13582	1.2
262.52380	1.2
262.98172	1.3
267.10129	1.3
283.09631	1.8
295.09494	1.9
299.09317	1.1
313.10815	1.4
315.12198	4.7
345.13306	63.9
346.13522	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	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.5
69.07031	0.7
69.77872	0.9
69.78234	0.9
81.07051	1.5
84.58120	0.4
91.05460	0.9
93.07031	1.0
95.04935	1.0
95.08593	1.3
104.04982	2.4
104.99250	1.1
105.03397	0.6
105.07005	1.2
107.04943	0.5
107.08602	0.9
109.10152	0.7
119.08533	1.0
121.10163	0.6
122.06012	0.7
131.08527	0.8
132.04433	100.0
133.02953	0.7
133.04765	2.1
136.07521	0.8
137.05974	1.1
137.09575	0.5
148.03908	6.9
149.04744	2.4
149.05862	0.7
160.03915	2.3
164.07042	41.3
165.07362	1.4
165.08968	0.5
175.07523	0.8
188.03394	8.8
191.08786	0.5
208.07657	0.9
220.06013	4.2
225.10152	0.9
226.08600	0.6
235.08800	0.9
236.06989	4.0
252.08662	9.1
253.09508	1.4
254.08012	5.9
267.11261	3.3
282.07501	0.6
285.12128	0.8
296.09045	0.6
313.10898	0.6
327.12845	1.0
345.14383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27798	0.3
62.41097	0.3
82.89458	0.3
85.02902	0.5
97.02902	0.4
125.30611	0.4
137.05937	3.5
147.04414	1.0
148.04712	1.1
158.15730	0.3
165.08884	1.4
166.05867	0.4
183.09914	1.2
203.05247	3.2
221.44630	0.3
242.24023	0.4
327.14066	1.2
345.15143	100.0
346.15518	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55321	0.4
54.16689	0.4
62.92282	0.4
63.55714	0.4
66.49522	0.4
69.71238	1.2
69.71581	0.4
78.10116	0.4
83.30610	0.4
98.22832	0.7
109.10122	0.7
109.62199	0.5
117.96243	0.4
137.05971	2.1
143.02069	0.5
143.03130	0.8
149.05919	0.4
161.05954	1.3
165.06999	0.6
183.09897	5.5
185.04193	3.0
193.06520	1.0
195.07915	0.4
203.05249	10.9
203.06953	0.7
210.06769	0.8
221.05928	1.0
223.07433	0.5
225.09041	1.1
238.06149	0.5
252.07590	0.6
253.08546	2.3
264.15387	0.4
266.68442	0.4
267.10040	0.8
285.11148	3.3
309.11353	0.8
327.12289	2.7
345.15158	100.0
346.15543	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1536
Annotation	Taxuside
Peak:m/z	Relative Intensity
50.14767	0.8
53.03935	1.1
55.01862	1.4
55.05499	3.7
56.90782	0.7
57.03421	1.8
58.16370	0.6
61.02916	1.1
65.03925	1.1
67.05495	25.0
69.03425	7.4
69.07044	1.0
69.19975	2.4
69.20383	1.7
69.84084	0.7
71.04987	1.0
72.08147	11.7
73.08464	2.6
79.05479	2.0
81.03410	2.3
81.07052	11.6
83.04960	0.9
85.02889	2.5
86.09692	13.5
87.10024	4.0
91.05463	3.5
93.07030	3.8
95.04948	4.5
95.08599	7.2
97.02880	4.4
99.04413	1.3
99.08089	1.1
100.11283	1.0
107.04945	0.9
107.08575	3.0
109.02849	2.5
109.06504	2.7
109.10141	42.8
110.10490	1.1
119.08578	3.4
121.10101	0.8
125.05959	2.2
127.03873	4.6
132.10257	0.9
133.02751	0.9
137.05952	2.1
137.09596	100.0
138.09927	3.6
149.06027	0.7
151.03894	1.0
155.10658	8.2
163.07523	0.8
165.09096	74.3
166.09419	2.3
179.40282	0.8
183.00992	0.8
183.10164	4.7
185.16451	7.2
186.16795	2.6
201.11200	4.6
210.18570	0.7
213.16017	2.1
214.16037	1.5
231.17009	0.8
277.03058	0.7
309.13254	2.0
327.14404	1.1
345.14236	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	345.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14767	0.8
53.03935	1.1
55.01862	1.4
55.05499	3.7
56.90782	0.7
57.03421	1.8
58.16370	0.6
61.02916	1.1
65.03925	1.1
67.05495	25.0
69.03425	7.4
69.07044	1.0
69.19975	2.4
69.20383	1.7
69.84084	0.7
71.04987	1.0
72.08147	11.7
73.08464	2.6
79.05479	2.0
81.03410	2.3
81.07052	11.6
83.04960	0.9
85.02889	2.5
86.09692	13.5
87.10024	4.0
91.05463	3.5
93.07030	3.8
95.04948	4.5
95.08599	7.2
97.02880	4.4
99.04413	1.3
99.08089	1.1
100.11283	1.0
107.04945	0.9
107.08575	3.0
109.02849	2.5
109.06504	2.7
109.10141	42.8
110.10490	1.1
119.08578	3.4
121.10101	0.8
125.05959	2.2
127.03873	4.6
132.10257	0.9
133.02751	0.9
137.05952	2.1
137.09596	100.0
138.09927	3.6
149.06027	0.7
151.03894	1.0
155.10658	8.2
163.07523	0.8
165.09096	74.3
166.09419	2.3
179.40282	0.8
183.00992	0.8
183.10164	4.7
185.16451	7.2
186.16795	2.6
201.11200	4.6
210.18570	0.7
213.16017	2.1
214.16037	1.5
231.17009	0.8
277.03058	0.7
309.13254	2.0
327.14404	1.1
345.14236	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	345.1691
Annotation	Ptilosin
Peak:m/z	Relative Intensity
50.14882	1.1
58.13455	0.9
67.05497	1.7
68.78857	0.8
69.39008	3.3
69.39384	1.8
71.04988	1.3
81.07056	1.2
91.05454	2.1
93.07044	1.1
95.04948	0.9
104.99259	12.1
109.10139	3.6
116.98598	0.9
121.06481	5.7
131.04883	2.0
134.03595	1.1
146.96844	0.9
149.05974	2.8
162.03090	9.1
163.16287	0.9
177.05508	1.9
189.05421	1.5
189.47725	0.9
190.02586	17.5
198.98842	0.9
205.04930	100.0
206.05307	3.1
217.26407	0.9
219.06497	5.3
233.08110	1.8
247.09619	2.4
259.09604	1.5
262.98108	7.4
271.09583	1.3
275.12775	8.9
327.15793	6.1
345.16910	11.6
346.20172	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	345.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
67.05476	0.7
68.99739	0.6
69.45074	0.3
70.05489	0.6
71.04953	1.3
79.05465	0.3
81.07018	0.8
83.01302	1.1
88.79819	0.3
91.05449	1.1
93.07020	1.7
95.04946	0.4
95.08582	0.5
98.23386	0.4
103.05441	0.3
105.06997	0.5
106.04167	0.4
109.06443	0.4
109.10137	2.7
119.04920	0.6
120.30779	0.3
121.06490	5.0
121.10074	0.7
123.11680	1.2
127.11158	0.6
131.04906	2.4
133.06470	0.4
134.03598	0.8
135.11656	0.5
149.02327	0.4
149.05975	2.5
153.12669	0.8
159.04369	0.8
162.03093	10.7
177.05397	2.2
189.05377	0.4
190.02574	19.2
191.02928	1.0
193.04918	0.5
205.04927	100.0
206.05235	3.6
207.06528	0.3
219.06516	6.0
221.04434	0.7
227.06985	0.4
231.06516	0.4
233.08022	1.5
245.07935	0.4
247.09656	2.6
256.30438	0.3
257.08145	0.4
259.09616	1.5
271.09619	1.8
273.11276	0.3
275.09680	0.5
275.12720	8.3
275.15543	0.6
276.13095	0.5
285.11304	0.3
327.15854	7.0
328.16043	0.4
345.16943	9.8
346.17313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Ptilosin
Peak:m/z	Relative Intensity
55.06414	0.4
67.05476	0.6
69.46310	0.4
69.82083	0.5
69.82394	0.6
70.09944	0.3
71.04979	1.1
77.43799	0.5
78.71201	0.4
79.05482	0.5
81.07036	0.8
83.01318	1.2
84.04887	0.3
88.17712	0.3
91.05470	1.3
93.07036	1.5
95.04926	0.4
95.08592	0.5
96.03760	0.4
98.22733	0.5
103.05453	0.7
106.04138	0.4
109.10154	3.2
121.06501	5.1
121.10106	0.4
123.11690	0.5
131.04938	2.1
134.03615	1.1
135.11713	0.6
135.62260	0.4
147.04332	0.5
149.06004	2.6
153.12718	1.0
159.04420	1.2
162.03108	9.3
177.05482	2.1
187.35968	0.4
190.02600	18.1
193.04892	0.7
205.04953	100.0
206.05290	2.8
219.06509	5.5
221.04463	0.6
227.07118	0.5
233.08078	1.6
247.09662	2.4
259.09662	1.9
261.11053	0.4
271.09555	1.9
275.12790	9.3
276.12900	0.6
327.15927	5.9
345.16956	11.8
346.17194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1692
Annotation	Ptilosin
Peak:m/z	Relative Intensity
55.05508	0.8
67.05485	3.0
69.07053	1.0
70.55532	1.4
71.40464	0.6
73.15869	0.6
81.07050	1.4
83.01306	0.9
84.21130	0.6
86.74470	0.6
91.05488	0.7
93.07034	1.2
95.08594	3.6
109.10138	7.7
119.04957	0.8
119.41323	0.7
121.06487	4.2
121.10144	1.8
123.11697	1.4
131.04929	2.2
134.03577	0.8
135.11618	0.6
147.04453	1.5
149.02414	0.7
149.05975	3.6
159.04382	0.7
161.05986	1.3
162.03098	8.4
175.03903	1.8
177.05481	2.3
189.05508	2.0
190.02583	17.8
193.04930	0.8
205.04945	100.0
206.05252	4.3
207.06418	1.4
213.05458	1.0
219.06491	9.8
231.06436	1.1
233.08069	5.2
235.05980	6.3
238.96741	0.7
245.08084	1.3
247.09593	2.9
271.09604	2.1
275.09421	0.7
285.11020	1.2
305.26791	0.7
327.15891	22.2
328.16122	1.5
345.16898	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20300	0.3
52.60834	0.3
53.00330	0.3
55.05500	0.8
67.05492	0.8
68.99718	0.3
69.45554	1.3
71.04977	0.8
81.07039	1.0
82.55563	0.3
83.01315	1.1
84.39453	0.3
88.05238	0.4
91.05467	1.2
93.07011	1.6
95.04977	0.4
95.08584	1.0
103.05459	0.6
104.89293	0.3
104.99209	0.5
109.10155	2.5
121.06496	5.0
121.10124	1.1
123.11700	1.3
131.04903	2.3
134.03575	0.8
147.04369	0.6
149.05980	2.7
153.12718	0.7
159.04379	0.6
162.03094	9.5
165.05389	0.5
177.05434	2.9
180.60759	0.3
190.02585	17.4
191.02873	0.7
193.04951	0.6
205.04932	100.0
206.05255	4.8
207.06483	1.3
213.05284	0.5
217.04924	0.6
219.06468	4.9
221.04330	0.4
231.06459	0.4
233.08080	2.2
247.09601	2.7
249.07617	0.6
259.09616	0.8
263.09192	0.5
271.09528	1.9
275.09546	0.5
275.12738	6.2
287.12656	0.6
327.15869	9.0
344.98422	0.4
345.16940	9.0
346.17422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Ptilosin
Peak:m/z	Relative Intensity
53.03927	0.2
55.01865	0.3
55.05494	0.7
57.07059	0.2
65.03947	0.2
67.05496	1.1
68.99763	0.6
69.03413	0.3
69.07056	1.1
69.56750	0.3
69.57130	0.4
70.06564	0.2
71.04995	1.0
77.03936	0.3
79.05460	0.6
81.06631	0.2
81.07034	0.9
83.01324	1.6
83.08617	0.2
83.98453	0.2
88.07619	0.2
91.05474	1.8
93.07037	2.0
95.04947	0.4
95.08578	0.7
98.22668	0.2
103.05476	0.9
104.81115	0.1
104.99243	0.5
105.03359	0.2
105.06985	0.6
106.04157	0.5
107.08566	0.4
109.06490	0.2
109.10153	2.7
111.16948	0.1
115.05459	0.2
117.06975	0.2
117.30297	0.1
119.04947	0.4
121.02833	0.3
121.06488	5.2
121.10126	0.4
122.06830	0.2
123.11671	0.8
127.11183	0.3
129.07036	0.2
131.04918	2.7
133.02776	0.2
133.06494	0.3
134.03622	1.2
135.11632	0.4
145.06494	0.2
147.04369	0.7
149.02315	0.5
149.04831	0.3
149.05962	3.1
153.12735	0.7
159.04475	0.9
159.05499	0.2
161.02257	0.4
161.05963	0.3
162.03099	11.2
163.03656	0.2
163.07536	0.2
171.08000	0.2
173.05957	0.4
175.03824	0.2
177.05467	2.8
185.05943	0.2
189.05438	0.7
190.02588	20.0
191.02982	0.7
191.06964	0.2
193.04958	0.7
199.03886	0.3
199.07491	0.2
203.03384	0.3
205.04936	100.0
206.05275	3.5
207.06473	0.4
217.04961	0.7
219.06499	5.0
220.06886	0.2
221.04401	0.9
227.07039	0.6
229.04893	0.8
231.06511	0.5
233.08092	2.1
243.06436	1.2
245.08049	0.5
246.07700	0.3
247.09573	1.9
257.08008	0.5
259.09616	2.4
262.98151	0.4
271.09610	1.7
273.11182	0.3
275.12747	6.9
276.13181	0.4
277.10760	0.3
284.29453	0.3
285.11090	0.7
303.15985	0.3
327.15848	5.6
328.16156	0.3
345.16925	19.3
346.17087	1.2
346.33127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Ptilosin
Peak:m/z	Relative Intensity
51.02393	0.2
55.58540	0.2
66.61503	0.2
67.05472	0.7
67.72862	0.2
68.99757	0.6
69.03382	0.3
71.04975	1.2
79.05477	0.4
81.07019	0.8
83.01316	1.1
88.07604	0.4
88.27055	0.2
91.05440	0.9
93.07033	1.6
95.04948	0.5
95.08577	0.8
103.05424	0.4
104.99236	0.9
105.06958	0.4
107.08576	0.4
109.06487	0.3
109.10137	3.0
119.04877	0.3
121.06498	5.2
121.10107	0.5
123.11679	0.9
127.11169	0.4
128.06171	0.2
131.04903	2.3
133.02826	0.3
134.03619	1.0
135.11629	0.5
135.76822	0.2
137.06010	0.2
141.94859	0.2
143.08516	0.3
147.04352	0.3
149.02274	0.3
149.05963	2.6
153.12733	1.2
159.04356	0.7
161.02269	0.3
162.03099	9.7
174.04408	0.2
174.05971	0.2
177.05455	2.3
189.05392	0.3
190.02577	18.8
191.02956	0.7
191.07034	0.4
193.04868	0.5
199.03809	0.3
199.07538	0.3
205.04929	100.0
206.05258	3.2
207.06519	0.5
219.06490	6.7
221.04387	0.8
227.06992	0.6
229.04970	0.3
231.06506	0.6
233.08002	1.5
245.08005	0.4
246.07658	0.6
247.09634	2.6
259.09637	1.6
262.98096	0.7
271.09601	2.3
273.11349	0.4
275.09689	0.4
275.12735	8.6
276.13287	0.3
285.11148	0.5
310.81058	0.2
322.23050	0.5
327.15851	6.8
340.24081	0.3
344.37982	0.3
345.16907	11.9
345.23190	0.5
346.17117	0.8
346.33139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.3
57.07063	0.3
58.06570	0.2
58.85801	0.2
59.53465	0.2
67.01857	0.3
67.05473	0.7
68.99765	0.5
69.03412	0.4
71.04976	1.1
71.08617	0.3
71.43330	0.2
79.05473	0.7
81.07027	1.1
81.83012	0.2
83.01326	1.2
88.07603	0.5
91.05457	1.4
93.07047	1.8
95.04950	0.6
95.08591	1.3
97.96279	0.2
103.05429	0.6
104.99241	0.7
105.04514	0.2
105.06992	0.4
106.33082	0.2
107.04935	0.3
107.08582	0.4
109.06491	0.3
109.09502	0.3
109.10146	3.4
111.64766	0.2
114.84270	0.2
119.04911	0.4
121.06490	5.0
121.10101	0.8
123.11679	0.9
127.11126	0.3
131.04919	2.1
134.03596	0.9
135.11685	0.7
143.08546	0.2
147.04416	0.5
149.02249	0.4
149.05960	2.9
153.12718	1.0
155.96986	0.2
159.04376	0.8
159.65080	0.2
162.03107	10.0
171.08054	0.3
177.05450	2.1
190.02596	18.1
191.02930	0.6
191.07088	0.4
193.04874	0.6
205.04947	100.0
206.05278	3.9
207.06450	0.6
209.00282	0.2
219.06506	5.7
220.06699	0.4
221.04428	0.8
227.07095	0.6
231.06573	0.5
233.08014	1.5
243.06473	0.3
246.07587	0.8
247.09627	3.0
257.08005	0.4
259.09543	1.6
261.11331	0.3
262.98141	0.7
271.09641	2.3
273.11224	0.3
275.12753	8.7
276.13092	0.4
285.11191	0.6
327.11978	0.4
327.15875	6.9
328.16269	0.3
344.34760	0.3
345.12701	0.6
345.16965	11.6
346.17297	0.8
346.33084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Ptilosin
Peak:m/z	Relative Intensity
57.07076	0.9
66.79569	0.8
67.05486	1.5
68.99791	0.8
70.21639	0.7
71.04990	1.3
79.05498	1.1
91.05460	1.8
93.07031	1.7
95.08591	1.4
103.05421	0.7
103.51305	0.6
104.99257	1.0
105.06966	0.7
106.08683	0.9
107.08557	0.7
109.10131	3.0
121.06480	5.2
123.11665	1.0
131.04906	2.3
131.12009	0.7
134.03595	1.5
135.11639	0.7
147.62830	0.7
148.01111	0.8
149.05952	3.0
153.12715	0.9
160.87062	0.7
162.03120	9.4
169.35735	0.6
177.05455	2.0
190.02585	16.3
193.05008	0.9
205.04939	100.0
206.05263	3.0
219.06476	5.6
226.13905	0.8
227.06877	0.7
233.08035	1.8
246.07469	1.0
247.09586	1.9
259.09634	1.3
271.09714	2.0
275.12762	10.8
282.27838	2.1
283.28439	0.9
327.15860	8.2
345.16974	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Ptilosin
Peak:m/z	Relative Intensity
53.03921	0.2
55.01843	0.2
65.03934	0.2
67.05502	0.7
68.99761	0.5
69.03405	0.4
70.25384	0.2
70.25719	0.2
71.04987	1.2
72.64439	0.1
77.03917	0.3
78.04658	0.2
79.01843	0.1
79.05479	0.6
81.07039	0.8
83.01334	1.0
84.89764	0.1
89.52340	0.1
91.05470	1.1
93.07032	1.9
95.04937	0.5
95.08578	1.0
99.08046	0.2
102.04657	0.1
103.05459	0.8
105.06998	0.5
106.04162	0.3
107.04889	0.2
107.08567	0.4
109.06457	0.4
109.10143	2.7
111.04421	0.1
119.04889	0.5
121.02797	0.3
121.06488	5.2
121.10104	0.5
122.06788	0.2
123.11646	0.8
125.32681	0.1
127.11144	0.5
128.06171	0.2
131.04913	2.6
133.06474	0.2
134.03615	1.0
135.11656	0.5
137.05945	0.2
137.09584	0.1
143.08543	0.2
145.06395	0.2
147.04372	0.6
147.08028	0.1
149.02315	0.4
149.05962	2.7
153.12723	0.6
159.04433	1.0
161.02350	0.3
161.05948	0.2
162.03096	10.1
163.03656	0.2
163.07587	0.3
171.04410	0.2
171.07976	0.4
171.09462	0.1
173.05910	0.2
175.07417	0.1
176.60417	0.1
177.05446	2.8
189.05388	0.5
190.02576	18.9
191.02972	0.9
191.06990	0.4
193.04924	0.7
199.03879	0.3
199.07545	0.3
203.07039	0.2
205.04926	100.0
206.05252	4.5
207.06721	0.2
213.05388	0.3
217.04878	0.3
219.06491	6.3
220.06856	0.1
221.04411	0.6
223.05977	0.3
227.06999	0.4
228.07640	0.1
229.04942	0.3
231.06464	0.6
233.08052	2.2
243.06422	0.2
245.08069	0.6
246.07594	0.3
247.09592	2.9
257.08017	0.4
259.09641	1.7
260.10266	0.2
261.07318	0.2
261.11090	0.3
271.09564	2.1
273.11050	0.3
275.12729	8.0
276.13135	0.4
285.11111	0.5
299.09137	0.3
327.12552	0.3
327.15836	6.9
328.16129	0.6
345.13306	0.5
345.16898	10.6
346.17200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26577	0.2
55.01866	0.2
60.02422	0.2
67.05479	0.7
68.99770	0.5
69.03403	0.3
69.55814	0.8
69.96994	0.3
71.04985	1.5
81.07047	0.8
83.01339	1.3
91.05440	1.2
93.07024	1.5
95.04925	0.4
95.08591	1.0
98.23399	0.3
103.05444	0.6
103.31074	0.2
105.07022	0.5
106.04221	0.3
106.25339	0.2
109.06445	0.3
109.10139	3.2
119.04899	0.3
121.02836	0.3
121.06487	4.6
121.10135	0.6
123.11652	0.9
127.11185	0.3
131.04897	2.1
133.02847	0.3
133.06491	0.3
134.03593	0.8
135.11662	0.6
147.04396	0.7
149.02379	0.6
149.05949	2.6
152.40195	0.3
153.07010	0.3
153.12700	0.7
159.04364	0.9
162.03096	9.5
163.07608	0.3
171.08008	0.4
177.05457	2.5
181.22845	0.2
186.80304	0.3
190.02582	18.2
191.02992	0.9
193.04933	0.6
199.03886	0.5
205.04929	100.0
206.05287	4.1
207.06494	0.5
219.06499	5.8
221.04350	1.0
227.06970	0.5
231.06473	0.7
233.08069	1.9
243.06525	0.3
245.08057	0.6
247.09625	3.0
257.07922	0.3
259.09564	1.8
261.11005	0.3
271.09552	2.2
275.12738	7.7
276.13120	0.4
285.11005	0.5
286.11652	0.2
327.11911	0.4
327.15826	7.5
328.16257	0.4
345.16898	11.8
346.17453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68637	1.3
70.06566	1.8
71.21764	1.8
91.05469	6.9
103.05465	11.3
105.06996	2.3
107.04915	1.7
115.05447	3.0
117.07020	3.4
121.06492	3.4
122.03606	3.7
123.08039	1.5
125.19820	1.6
131.04907	22.6
137.05966	55.9
137.07010	2.8
145.06468	2.3
147.41760	1.5
151.07533	16.6
161.05882	2.8
162.06622	2.7
163.07535	41.2
165.05525	1.8
175.07547	5.8
177.09096	100.0
178.09427	3.8
191.07051	1.8
195.10167	8.0
203.10655	3.5
221.11758	6.2
264.16653	1.6
267.10257	2.5
299.12628	3.2
299.26483	1.4
313.10568	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	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62182	0.9
52.48601	0.9
55.01871	2.0
57.03458	0.9
67.05481	1.5
67.22370	0.9
69.07044	1.4
70.06569	1.6
71.41910	1.1
72.08150	2.7
79.05485	2.7
81.07050	2.4
86.09705	6.2
91.05464	4.3
92.61124	0.9
94.04166	3.5
97.06525	1.1
100.69598	1.1
103.05464	10.4
105.07011	6.8
107.04926	1.6
107.08554	1.0
109.06566	1.0
115.05435	1.3
115.73379	1.1
117.07001	1.5
121.06491	2.6
121.10155	1.7
122.03637	11.3
128.06183	1.4
131.04913	11.5
133.06471	15.2
135.04343	1.0
135.08025	7.7
137.05968	100.0
138.06320	3.1
141.53354	1.0
145.06451	3.8
147.04338	1.2
149.05978	1.5
151.07574	4.9
152.07884	1.0
153.05457	1.1
157.06502	1.8
160.65373	1.0
161.06073	1.7
163.07536	29.2
175.07564	3.2
183.13766	8.0
185.16513	1.4
189.09081	1.5
195.72261	1.3
216.39368	1.0
263.10519	1.4
295.13333	2.0
327.12198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
57.00927	1.2
57.66713	1.3
67.05524	2.3
67.12440	1.4
69.03426	8.2
69.07064	11.5
70.49333	1.8
70.49670	1.9
79.05479	2.2
81.03440	1.6
81.07052	18.3
82.07391	1.5
83.04954	2.2
85.02898	6.3
85.06544	4.0
95.08627	3.8
97.02887	1.8
97.06569	1.5
99.04465	3.6
99.08078	14.8
100.74268	1.3
107.08621	2.4
109.06511	4.7
109.10129	1.9
113.05968	1.3
121.10126	11.0
123.08064	1.5
123.11694	4.9
125.09603	10.9
127.07547	2.6
137.09657	1.4
137.13306	2.0
139.11168	7.9
147.11716	2.7
165.12769	3.8
183.13789	100.0
184.14217	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65997	1.6
67.05521	2.2
69.03415	9.8
69.07045	10.1
69.47894	3.1
69.48254	6.8
73.05180	1.7
79.05473	2.6
81.03397	2.1
81.07040	20.8
83.04951	4.1
85.02890	6.5
85.06527	3.0
95.08593	5.1
98.23412	3.3
99.04418	2.3
99.08077	16.4
107.08584	4.1
109.02887	2.0
109.06512	5.6
109.10143	3.6
119.08583	2.4
121.10126	9.9
123.08074	2.8
123.11712	2.9
125.09625	7.1
127.07576	2.1
128.67322	1.8
135.45158	1.7
137.05972	7.0
137.09645	2.9
137.13205	2.7
139.11116	10.3
147.23882	1.7
149.05948	2.3
151.50404	2.1
165.12778	4.4
183.13771	100.0
184.14172	4.9
205.04948	6.0
297.49979	1.7
327.11975	2.1
361.01346	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60751	0.4
55.05499	1.3
55.32316	0.4
57.03431	0.8
57.07063	1.6
59.58106	0.4
61.02920	1.2
67.05505	2.4
69.03423	8.1
69.06707	0.8
69.07063	12.9
70.80222	0.4
71.04982	0.7
71.08622	0.7
76.00496	0.5
79.05481	2.6
81.03407	1.7
81.07050	21.9
82.07399	0.5
83.04965	3.7
85.02402	0.7
85.02896	8.2
85.06536	4.5
86.09682	0.5
91.05498	0.8
93.07017	0.8
95.04996	1.0
95.08601	4.5
97.02885	2.0
97.06520	1.7
97.10161	0.5
99.04457	3.8
99.08084	13.8
100.57890	0.5
105.06998	1.3
107.08575	3.1
109.02864	0.7
109.06509	4.7
109.10139	3.2
111.08068	0.5
113.05994	1.3
115.21562	0.4
117.35845	0.4
119.08550	0.7
121.10133	10.6
123.08035	2.5
123.11675	5.0
125.09619	9.1
127.03876	1.1
127.07526	2.9
137.05962	1.8
137.09607	2.4
137.13239	2.0
138.59705	0.4
139.10146	0.8
139.11165	8.1
145.04915	1.1
147.11639	1.6
165.12755	4.8
167.94724	0.4
170.86305	0.6
183.13786	100.0
184.14139	3.9
187.14403	0.7
191.07185	0.4
249.61223	0.5
285.11142	0.7
346.08914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	12.0
55.05510	87.3
57.03411	22.6
66.01687	13.2
67.05501	84.7
69.07063	100.0
70.29912	26.1
79.05476	39.0
81.07050	85.3
83.08607	50.7
84.43438	9.3
91.05460	26.6
93.07034	39.2
95.08594	94.2
97.06504	15.6
97.10149	39.3
104.99235	59.5
105.07037	26.5
107.08574	21.3
109.10133	48.6
119.08556	19.7
119.24875	9.9
121.10136	24.8
122.06010	26.5
123.11672	13.2
133.02823	44.1
133.10153	13.7
135.11694	18.0
147.11681	13.4
149.13272	10.3
153.97044	10.3
161.13194	10.1
165.05528	14.2
171.31125	10.6
181.91962	12.0
182.08090	25.4
205.04976	16.2
235.20522	10.7
262.98062	38.8
263.39349	11.7
303.19803	12.4
327.25189	53.1
345.13220	14.3
345.26370	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.2
57.03424	1.8
57.07075	5.8
58.06601	1.6
67.05502	21.5
69.07066	14.9
70.06580	1.5
71.04987	2.7
71.08635	3.4
71.43716	1.0
73.06567	1.1
74.06102	1.1
75.43314	1.0
79.05482	3.7
81.07051	32.9
83.08610	8.3
85.10163	1.2
88.07626	7.1
91.05462	2.7
93.07034	6.0
95.04958	1.7
95.08604	32.8
97.10152	5.4
99.08107	1.5
104.99255	7.0
105.07019	3.7
107.08571	5.3
109.06528	1.7
109.10145	21.1
111.11719	4.5
119.08565	3.7
121.06467	4.9
121.10115	5.3
123.11701	7.0
125.13268	2.0
131.04915	2.4
133.10109	4.8
135.11676	4.6
137.13245	2.6
147.11713	3.7
149.05962	3.1
149.13304	2.1
151.11192	1.5
151.14799	1.8
155.10777	1.1
155.14331	1.3
158.52957	1.0
161.13268	4.2
162.03070	9.1
173.13319	1.4
175.14806	1.5
177.05450	2.0
179.20061	1.0
190.02586	20.3
193.04965	1.9
205.04955	100.0
206.05290	5.3
207.06516	1.2
207.21069	6.8
217.19479	9.6
219.06526	7.7
227.07191	1.2
229.17911	2.3
233.08087	1.5
235.20511	8.3
247.09734	2.6
251.05946	1.0
259.09662	2.1
262.98209	5.4
271.09659	2.6
275.12845	8.9
276.13147	1.2
284.29498	2.7
298.31061	1.7
327.15970	7.1
327.25211	22.2
328.25406	1.3
340.22748	1.3
345.16891	12.0
345.27942	1.2
345.31693	1.6
346.33102	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	345.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.7
57.03423	6.2
57.07067	100.0
58.06585	5.7
62.04641	2.9
67.05491	31.0
69.07055	16.3
69.36156	16.8
69.81705	2.6
71.08618	75.6
81.07041	34.7
83.08606	22.4
85.10168	45.7
85.79491	2.9
88.07603	4.4
95.08592	53.7
97.10147	25.6
97.21024	3.0
98.23537	6.2
99.11731	4.5
104.99261	16.9
109.10148	29.2
109.81593	2.9
111.11724	7.1
113.13232	3.0
121.10040	3.8
123.11674	14.8
129.30023	3.0
137.13196	5.3
151.14819	3.9
173.67239	3.1
205.10486	3.2
253.25029	14.4
262.98108	12.6
271.26270	4.6
327.28903	47.0
327.70233	3.0
328.29205	6.3
346.33307	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	346.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03947	0.4
53.11638	0.5
55.05505	2.8
56.05832	0.5
57.03422	0.6
63.69327	0.4
67.05501	3.4
69.07068	3.3
70.51546	1.0
77.03959	0.8
79.05474	1.4
81.07032	3.8
82.07376	0.6
83.08596	2.8
91.05465	1.0
91.17451	0.5
93.07034	0.5
95.04956	1.1
95.08023	0.4
95.08594	3.0
96.08899	0.8
97.10162	1.4
102.55009	0.5
105.03378	10.0
105.04485	0.9
105.06991	0.7
107.04932	0.9
107.08566	1.2
109.06528	0.7
109.10154	1.7
111.08046	0.5
121.10120	0.7
122.06013	56.7
123.06321	1.0
123.11678	0.6
129.07014	0.5
132.04457	0.8
133.02834	100.0
134.03149	3.2
135.11694	0.8
137.05956	6.1
149.04842	0.5
150.05482	7.1
160.03951	5.5
165.05464	22.7
166.05766	0.8
170.09619	0.7
175.68723	0.5
180.08038	1.2
181.07310	1.5
182.08101	28.4
183.08331	1.1
185.05858	0.5
188.03406	4.4
198.09146	3.5
208.07552	3.9
209.06084	1.0
209.08156	0.7
220.06017	7.2
226.08606	7.8
236.07060	3.7
252.08624	1.9
253.07338	0.7
254.08107	10.7
268.09653	2.2
282.07639	0.6
286.10703	13.5
287.10867	0.8
296.09250	1.0
314.10205	3.7
328.11768	0.7
328.25562	1.3
345.26019	0.6
346.12375	0.5
346.26691	1.0
347.14594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
69.83901	0.6
69.84267	0.5
77.03915	0.7
95.04960	1.5
98.99193	0.3
105.03375	10.4
105.04457	0.7
105.49341	0.3
106.03718	0.3
106.13142	0.3
107.04974	0.4
122.06011	67.6
123.06368	1.3
132.04462	0.7
133.02831	100.0
134.03174	3.0
137.05954	6.0
140.79576	0.4
150.05486	8.7
160.03914	4.7
165.05457	22.4
166.05766	0.6
180.08107	0.5
181.07301	0.4
182.08101	29.4
183.08386	0.9
188.03386	3.2
197.94817	0.3
198.09106	1.7
208.07495	4.0
209.07945	0.4
220.06020	5.5
226.08624	3.4
236.06999	3.4
252.08615	1.1
254.08130	4.6
268.09619	2.2
282.07538	0.7
286.10687	6.1
287.11041	0.4
296.09128	0.4
297.09790	0.3
314.10159	2.6
328.11761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
57.72787	0.5
66.53442	0.5
67.60766	0.6
69.07070	0.6
83.08577	0.9
92.04929	0.6
97.97449	0.5
98.22639	1.1
105.07017	1.3
110.06028	2.3
120.04440	1.3
121.05280	0.6
121.06470	0.8
122.06044	0.9
132.04428	1.3
132.20468	0.5
133.02805	3.0
133.05183	1.0
148.03908	100.0
149.04721	43.2
149.05946	6.1
150.04977	1.4
161.04688	0.7
163.06320	2.8
164.07036	0.7
165.05486	0.6
180.06508	4.8
180.07993	1.0
181.06346	1.2
198.09125	1.0
207.06754	0.7
208.07547	12.4
218.06000	1.1
226.08577	10.3
236.07016	67.2
237.07401	3.4
254.08072	87.5
255.08403	4.9
282.07559	16.7
283.07748	1.2
296.09137	7.6
314.10175	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	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
55.01856	2.9
55.29574	1.9
57.03421	4.4
60.91732	2.1
61.02903	9.1
69.03426	17.9
69.39990	11.0
73.02895	3.0
79.05457	2.6
81.03407	6.5
84.08092	2.0
85.02893	100.0
86.09695	30.4
87.04474	2.3
91.03948	4.7
97.02882	27.8
99.04447	5.1
107.04236	4.6
107.04932	58.3
109.02846	4.6
127.03895	17.1
135.51016	2.2
142.16982	2.2
145.04951	34.6
147.04387	3.8
149.04857	3.5
149.05939	21.0
158.32880	2.1
162.07674	2.9
163.03909	2.3
163.05936	4.0
167.06987	9.3
169.06686	2.2
171.21346	2.1
173.05905	3.6
180.08659	12.6
180.10013	2.3
184.09688	2.7
199.18039	9.5
215.07037	5.8
223.27264	2.1
227.17575	3.1
233.08035	6.9
275.09320	3.3
301.12579	9.6
346.12363	2.9
346.16290	8.5
347.13031	63.1
347.16986	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	346.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01865	4.4
57.03430	6.1
61.02921	9.2
68.19890	1.7
69.03419	19.8
70.57631	4.0
71.04990	3.7
73.02902	2.8
81.03410	7.8
85.02889	100.0
86.03278	1.7
87.04471	2.0
88.02221	3.3
91.03943	6.5
97.02888	22.2
99.04465	4.3
107.04934	71.2
109.02875	7.2
121.06472	3.2
127.03916	19.7
145.04930	35.4
147.04359	4.5
149.04927	3.4
149.05962	25.9
163.06003	4.7
165.05431	2.0
166.05782	1.9
167.07056	9.2
173.05969	4.4
177.00606	2.1
180.08656	11.3
184.09668	5.3
197.24603	1.8
207.10052	2.6
215.07043	7.6
233.08095	4.6
301.12573	5.5
303.13626	4.0
346.15668	3.4
347.13000	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	346.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.2
66.43446	2.3
67.05495	11.2
69.07063	3.6
69.68782	8.0
71.04982	19.2
79.05476	5.7
81.07043	32.7
85.06522	2.8
91.05470	3.1
92.72480	1.8
93.07047	13.7
95.08592	12.6
97.06507	2.2
97.10114	2.2
99.04444	100.0
100.04774	2.1
103.68533	2.1
105.07008	2.8
107.08605	5.9
111.08110	2.3
115.41558	2.1
117.05507	4.7
122.06023	8.4
131.00984	2.5
131.08508	2.6
132.04434	19.0
133.02852	18.8
133.04781	10.4
133.10054	4.1
134.03191	3.2
135.11670	10.4
149.07072	5.7
149.13261	7.4
150.07410	5.3
159.11681	8.0
164.07028	2.5
165.05481	4.2
166.07364	2.9
177.12724	11.4
182.08142	4.0
182.09911	1.9
195.13783	26.0
221.04391	2.1
236.06920	3.3
237.07262	5.5
253.06966	3.3
254.08200	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05484	4.1
57.07094	1.5
67.05489	16.1
69.07060	6.5
69.64146	1.6
70.86383	1.8
76.12418	1.7
79.05494	6.3
81.07047	13.5
82.08820	1.8
83.08617	5.0
87.03315	1.6
91.05466	6.4
93.07044	8.2
95.04966	3.1
95.08597	7.9
97.10165	4.7
105.07017	3.2
106.84409	1.7
107.08569	8.9
109.10142	14.8
110.10459	1.7
116.34286	1.6
117.07023	2.6
119.08597	3.9
121.06508	5.1
125.09667	2.5
131.04900	5.8
133.02867	2.0
133.10146	2.6
149.05968	2.4
155.06580	2.0
155.10675	3.4
159.04356	5.5
162.03062	5.7
163.03494	2.8
173.11726	20.1
177.05524	2.3
189.11195	4.5
190.02579	15.7
191.03120	10.5
191.06825	2.2
195.13736	3.3
203.33670	1.7
205.04936	100.0
206.05280	35.2
207.02882	8.6
207.05394	3.1
213.14792	2.6
219.06500	18.2
220.06859	2.7
233.73598	1.9
247.06020	7.6
257.08038	6.2
275.19867	8.1
276.13132	4.0
287.09225	2.4
311.12674	5.9
328.16257	3.9
329.13815	18.0
346.13556	2.0
346.17377	5.7
347.14771	4.2
347.18488	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	347.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
56.07947	1.3
56.96555	63.4
60.04500	2.8
69.03402	1.5
70.06571	5.7
72.08140	4.4
74.06067	2.8
79.23244	1.3
84.04491	2.1
84.08122	8.8
84.96010	4.9
85.02871	2.4
85.45914	1.2
86.09685	12.7
95.04942	1.2
97.02890	2.6
98.97565	100.0
99.97890	1.7
103.05450	1.8
107.04955	1.9
109.02892	1.3
115.03925	1.8
116.07050	1.4
116.98601	84.5
121.06483	4.1
123.04383	2.0
126.05496	1.7
128.98578	1.6
129.06950	3.6
129.10202	6.2
129.36742	1.3
130.07315	2.4
132.10101	1.8
134.72394	1.2
134.99640	52.8
136.06189	1.8
140.00160	1.6
141.06932	1.7
147.91431	1.4
148.08417	1.6
153.00697	6.3
157.06445	12.1
158.06772	6.2
163.00652	4.7
173.02721	1.4
173.12852	1.6
179.00175	1.8
181.01700	12.1
184.38039	1.2
187.00627	5.4
189.00742	1.5
191.00226	1.6
191.03781	2.6
194.99663	2.2
197.01180	3.9
199.02754	20.4
203.05270	1.5
203.07051	3.0
205.01698	13.0
205.05324	2.9
207.03258	2.8
209.01187	11.3
209.04893	1.4
212.88354	1.4
213.00462	11.5
213.02248	4.8
215.03757	20.4
216.04173	1.3
216.09999	1.4
217.01685	2.2
217.03743	2.3
217.08113	1.6
221.01207	4.3
221.04709	2.1
223.02719	6.4
225.04239	1.8
227.02216	9.0
229.01601	1.3
231.03317	20.7
233.04814	80.7
234.05185	2.9
235.02933	7.1
237.04337	1.5
243.03282	4.9
247.02792	5.8
249.04349	11.1
251.02237	5.1
251.05872	28.5
257.04843	2.7
259.02725	4.8
261.04337	5.6
265.03830	4.3
267.05478	1.7
269.03314	7.8
273.04306	3.7
275.05933	7.1
277.03818	23.0
287.02185	4.5
292.85559	1.3
295.04852	32.2
296.05484	1.7
301.03781	6.7
305.03247	10.9
319.04819	57.3
319.13437	2.0
323.04340	4.2
337.05899	38.3
346.12589	1.6
347.04321	60.9
347.12927	23.2
347.16766	12.7
347.22946	3.5
348.04596	3.3
365.05356	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	347.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19150	6.3
51.83267	6.8
61.02900	14.3
69.03415	16.1
69.33330	7.8
69.38432	6.4
70.06554	10.5
70.62788	11.3
82.03759	8.3
82.41425	7.1
85.02879	72.8
86.03220	13.5
95.04917	7.6
97.02892	21.5
98.03197	8.5
107.04937	33.9
108.05275	15.6
127.03870	15.5
137.05968	25.7
138.06329	10.0
145.04962	24.7
149.09593	9.2
150.06517	8.2
180.08656	8.9
185.02130	20.4
203.05270	10.8
301.12558	17.4
303.13745	21.2
347.07309	98.6
347.12836	57.1
347.16690	100.0
353.89951	7.6
365.05722	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0737
Annotation	Cassipourine
Peak:m/z	Relative Intensity
64.88444	5.3
69.03407	8.2
69.48324	23.3
70.06589	17.0
71.06954	5.4
78.67600	6.0
84.08098	4.9
85.02909	8.4
98.23380	10.7
98.97576	9.0
129.10216	6.3
176.03418	6.7
185.04102	15.6
212.04105	6.9
214.45567	6.5
248.05357	6.3
248.89629	6.1
257.05981	12.1
347.07236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0736
Annotation	Cassipourine
Peak:m/z	Relative Intensity
56.96569	8.0
69.09322	33.3
72.48637	5.9
73.66506	5.6
83.34464	5.8
95.15220	6.1
96.35878	5.4
98.22694	10.6
98.97583	10.1
156.21101	5.4
163.18349	6.1
185.04164	42.4
238.25522	5.7
322.61441	6.1
340.71121	6.1
347.07358	100.0
348.07428	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	347.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09199	4.7
56.96558	4.4
69.39520	14.4
71.07255	3.8
77.84340	3.6
98.97563	7.6
118.97488	3.6
119.24491	3.5
131.69762	4.0
153.46983	3.9
155.53436	4.4
185.04195	100.0
186.04636	4.2
291.20102	4.9
347.06976	61.5
361.06274	4.4
368.23981	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	347.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00373	0.7
73.46931	0.5
84.08074	0.6
91.23006	0.6
93.80521	0.5
98.97581	2.0
109.27781	0.6
111.99425	0.6
115.65135	0.6
116.56217	0.6
116.98595	0.8
129.10255	0.8
144.63666	0.6
185.04187	100.0
186.04523	2.0
212.36157	0.5
233.04967	0.8
347.09918	12.6
347.13519	0.9
348.09961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1234
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01877	4.8
55.76616	0.6
59.78730	0.5
65.03880	0.6
67.05462	0.6
70.06538	0.9
77.41083	0.6
78.95215	0.6
79.05456	0.8
81.07018	1.0
82.06564	0.6
86.09680	0.6
91.05467	1.0
94.06515	0.8
95.04939	0.8
97.33929	0.6
106.06496	0.9
108.04446	1.0
110.06004	0.8
119.08575	0.7
129.07021	0.5
133.05206	0.6
134.05971	0.8
137.05908	1.7
137.09607	0.6
138.05434	1.4
146.06030	0.8
148.07614	0.8
152.03406	1.9
153.05495	0.8
154.06444	0.7
156.07983	0.6
160.03838	1.2
162.05409	1.7
167.07147	1.6
168.06551	1.1
170.08270	1.2
170.09674	1.0
171.09081	0.7
172.07584	1.0
176.07010	1.3
178.04988	4.5
180.06628	0.7
181.07529	0.7
182.05893	0.7
182.09615	0.8
183.09140	1.4
184.06241	1.3
184.07619	1.2
184.11272	0.7
185.07069	4.3
185.10721	1.5
186.09116	1.4
187.05025	3.3
190.84195	0.7
195.09232	0.8
196.07567	1.3
197.06963	1.5
198.07782	1.7
199.08653	7.5
200.07018	0.9
200.09169	0.9
200.10863	0.7
201.06534	4.0
201.10172	1.9
202.08548	0.7
205.06085	1.4
209.10721	0.9
210.09129	2.7
211.08650	3.0
212.09157	1.4
212.10960	0.7
213.06573	7.8
213.10176	6.9
215.11618	0.7
222.07611	0.6
223.08549	1.2
224.09167	0.6
225.06462	0.9
227.04532	1.0
227.08115	11.0
227.11591	4.1
228.06602	0.8
228.10342	1.2
229.09731	4.5
231.07594	5.2
237.06494	0.9
237.10283	3.1
238.08624	3.4
239.08076	2.4
239.11760	1.7
240.10153	0.8
241.06036	0.8
241.09686	7.7
242.10201	0.8
243.11247	1.4
245.09164	1.9
251.08002	1.3
255.07602	13.3
255.11206	9.6
257.09198	2.4
257.12830	1.2
259.07202	1.1
259.10739	1.8
265.09628	7.5
266.08017	1.1
267.07651	2.6
268.08356	1.2
269.09192	9.9
273.08655	6.8
273.11981	1.5
275.10303	1.1
275.13803	1.0
283.10733	27.8
284.11310	1.2
285.12354	0.7
287.10233	3.5
293.09146	8.9
301.11783	5.0
311.10214	47.2
312.10501	2.6
315.13361	0.8
319.12939	3.4
329.11273	96.6
330.11591	7.1
347.12338	100.0
348.12689	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	347.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35884	0.7
53.09185	0.7
55.01869	7.3
55.05504	1.0
67.05500	1.9
69.07061	1.6
70.06578	3.0
71.04989	1.1
72.08118	1.1
79.05486	1.4
81.07054	2.6
83.83291	0.7
86.09682	1.1
91.05485	2.6
93.07036	2.2
93.20802	0.9
94.06590	0.8
95.04949	1.5
95.08592	1.7
100.29948	0.8
105.07006	1.7
107.08564	1.3
108.04514	1.0
108.08083	1.2
109.10162	1.1
110.06001	1.4
121.10179	2.3
122.05998	1.3
124.07582	2.6
125.32516	0.8
129.06952	1.2
134.05959	1.3
136.07558	27.1
137.05969	2.1
138.05553	1.1
143.08533	0.9
149.09630	0.8
151.03983	1.1
152.03394	2.1
152.07031	5.6
157.06396	1.0
160.03964	1.8
162.05457	1.6
164.07037	22.1
167.07173	0.9
168.08089	1.2
170.09665	1.1
171.09178	1.6
172.07573	1.6
176.07059	1.3
178.04944	4.0
182.06064	0.9
182.09656	1.4
183.09177	1.3
184.07634	1.3
185.07068	3.8
185.10696	1.1
186.09145	1.4
187.05028	4.1
188.07112	1.0
189.09079	0.9
196.07666	0.9
197.07050	2.6
198.07674	1.0
198.09309	1.3
199.08650	9.5
199.12474	0.8
200.10782	1.2
201.06528	6.3
201.10248	3.1
205.06140	1.7
209.10757	1.0
210.09109	2.6
211.08653	4.8
212.09262	2.3
213.06551	10.3
213.10162	8.2
215.11752	1.3
219.07616	1.3
223.08760	1.2
224.07060	1.2
224.09137	2.0
225.06660	1.4
227.08127	14.4
227.11702	5.1
228.06561	1.1
229.09703	5.3
231.07629	6.0
237.10239	5.1
238.08600	3.0
239.08189	2.7
239.11737	1.6
241.06148	1.8
241.09695	9.5
243.11342	1.0
245.09181	2.7
251.08005	1.9
255.07646	18.3
255.11263	11.2
257.09131	4.0
257.12860	2.0
259.07053	0.8
259.10742	1.5
265.09671	6.2
266.07904	1.2
267.07599	2.9
267.53928	0.8
269.09207	11.5
273.08694	7.0
273.11783	1.2
275.10324	1.3
283.10727	30.1
285.12378	1.0
287.10172	3.3
293.09119	7.7
301.11694	5.0
311.10202	57.3
312.10446	2.7
319.12857	2.1
322.30148	0.8
323.87015	0.9
329.11258	85.6
330.11600	4.4
347.12341	100.0
347.16605	11.5
348.12677	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	347.1312
Annotation	Nordercitin
Peak:m/z	Relative Intensity
56.96548	0.3
71.21031	0.5
84.08144	0.3
85.02902	0.4
86.03265	0.3
86.09683	0.6
95.07292	0.4
98.23832	0.3
112.71179	0.3
113.44019	0.3
126.92265	0.3
151.07379	0.3
151.74138	0.3
167.06924	0.3
185.07841	1.9
203.05295	0.7
206.43723	0.3
263.21082	0.3
287.10953	1.5
301.12509	4.8
347.13077	100.0
348.13437	5.0
354.96829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01877	1.9
55.05502	3.1
67.05495	4.9
69.03426	5.7
69.07055	3.2
70.68242	2.8
75.26988	1.3
79.05494	8.7
81.07062	8.2
83.04985	2.2
91.05465	18.8
93.07034	42.3
95.04955	5.1
95.08596	4.8
97.02890	5.7
105.07020	16.2
107.04973	2.0
107.08583	47.3
108.08909	2.0
109.02883	2.2
109.06535	4.1
109.10128	3.1
115.03926	4.0
115.05468	1.8
117.06993	2.2
117.64838	1.4
118.62997	1.3
119.08551	14.8
121.06512	3.4
121.10141	4.3
123.04397	3.3
125.02376	3.4
129.06984	3.0
131.08563	3.7
133.10114	25.1
135.04422	4.3
135.11676	100.0
137.05945	2.5
145.10085	1.9
151.03896	4.7
153.05505	1.7
153.06929	1.6
155.08571	2.4
157.10092	1.9
159.11699	6.7
163.03917	2.6
165.05537	1.8
167.03375	6.9
169.10072	3.2
175.07529	2.0
179.03273	3.1
179.07079	3.1
181.04988	2.3
181.10074	1.8
183.08002	1.7
185.09549	2.3
187.14861	1.6
190.02591	2.4
191.03328	6.6
193.05057	2.3
195.11731	1.5
197.04352	1.6
197.13243	2.9
205.04950	13.9
206.05247	1.7
207.02837	7.9
207.06599	2.4
209.13188	6.1
211.14790	3.2
213.09196	1.8
215.06940	2.0
215.14368	1.5
237.12607	3.6
239.14320	3.6
241.12227	1.7
243.06543	1.8
255.13779	6.7
257.15338	2.6
267.70267	1.5
283.13229	8.0
285.14651	1.7
287.09088	1.8
301.14297	3.7
311.12689	1.8
315.08533	1.9
322.73087	1.4
329.10410	3.4
329.13785	10.5
347.10910	2.4
347.14728	7.2
347.18561	6.3
362.34140	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1486
Annotation	Gibberellin A94
Peak:m/z	Relative Intensity
53.03957	1.5
55.01877	1.9
55.05502	3.1
67.05495	4.9
69.03426	5.7
69.07055	3.2
70.68242	2.8
75.26988	1.3
79.05494	8.7
81.07062	8.2
83.04985	2.2
91.05465	18.8
93.07034	42.3
95.04955	5.1
95.08596	4.8
97.02890	5.7
105.07020	16.2
107.04973	2.0
107.08583	47.3
108.08909	2.0
109.02883	2.2
109.06535	4.1
109.10128	3.1
115.03926	4.0
115.05468	1.8
117.06993	2.2
117.64838	1.4
118.62997	1.3
119.08551	14.8
121.06512	3.4
121.10141	4.3
123.04397	3.3
125.02376	3.4
129.06984	3.0
131.08563	3.7
133.10114	25.1
135.04422	4.3
135.11676	100.0
137.05945	2.5
145.10085	1.9
151.03896	4.7
153.05505	1.7
153.06929	1.6
155.08571	2.4
157.10092	1.9
159.11699	6.7
163.03917	2.6
165.05537	1.8
167.03375	6.9
169.10072	3.2
175.07529	2.0
179.03273	3.1
179.07079	3.1
181.04988	2.3
181.10074	1.8
183.08002	1.7
185.09549	2.3
187.14861	1.6
190.02591	2.4
191.03328	6.6
193.05057	2.3
195.11731	1.5
197.04352	1.6
197.13243	2.9
205.04950	13.9
206.05247	1.7
207.02837	7.9
207.06599	2.4
209.13188	6.1
211.14790	3.2
213.09196	1.8
215.06940	2.0
215.14368	1.5
237.12607	3.6
239.14320	3.6
241.12227	1.7
243.06543	1.8
255.13779	6.7
257.15338	2.6
267.70267	1.5
283.13229	8.0
285.14651	1.7
287.09088	1.8
301.14297	3.7
311.12689	1.8
315.08533	1.9
322.73087	1.4
329.10410	3.4
329.13785	10.5
347.10910	2.4
347.14728	7.2
347.18561	6.3
362.34140	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77348	3.7
81.07011	3.5
91.05492	3.0
93.07004	3.6
95.08641	2.7
98.22746	4.0
105.07021	3.7
117.85183	2.0
119.36460	2.0
121.06464	5.1
131.04918	7.1
149.06015	2.9
157.10112	2.2
159.04434	5.1
162.03096	6.1
165.05458	3.0
177.05524	2.4
190.02603	12.5
191.03238	2.2
191.07071	2.8
203.06985	2.3
204.04170	2.3
205.04932	100.0
206.05295	8.5
207.05380	3.8
219.06499	23.8
247.06006	13.5
257.07996	6.3
287.09100	5.0
300.14203	2.3
311.12848	5.5
329.13782	26.5
329.17236	2.1
347.14096	3.4
347.18195	4.8
362.93921	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	347.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
62.76220	0.2
63.02389	0.2
67.05479	0.5
68.99774	0.5
69.03426	0.4
69.07085	0.2
69.66064	0.7
71.04989	0.4
73.11160	0.2
79.05481	0.5
81.07052	0.4
83.01327	0.7
85.06507	0.3
87.47343	0.2
91.05471	0.8
93.07044	1.5
95.04945	0.5
95.08590	1.5
95.51227	0.2
96.13924	0.2
99.22782	0.2
103.05483	0.4
105.07005	0.5
107.04922	0.3
107.08577	0.7
109.06535	0.3
109.10134	0.3
113.09624	0.3
119.04934	0.3
119.08556	0.7
121.02889	0.3
121.06482	3.6
122.06868	0.3
125.09613	0.3
128.86725	0.2
129.06937	0.3
131.04900	2.1
132.96477	0.2
133.02797	0.3
134.03613	0.7
137.05968	0.3
147.04385	0.7
149.02304	0.5
149.05969	2.0
159.04413	0.6
161.05957	0.7
162.03090	6.0
163.03746	0.5
165.05325	0.2
173.11678	0.4
175.03929	0.2
177.05460	2.1
181.06404	0.3
187.07492	0.5
189.05370	0.7
190.02582	14.6
191.03275	1.8
193.04912	0.8
195.08105	0.3
199.03851	0.4
203.03285	0.3
205.04932	100.0
206.05264	4.5
207.05374	0.6
213.05452	0.4
215.07054	0.7
217.04924	2.1
219.06514	3.6
221.04460	0.2
226.06158	0.3
229.04941	0.8
230.05733	0.3
231.06516	1.4
233.04382	1.3
233.07967	0.4
235.06001	0.3
241.08531	0.3
243.06473	2.0
246.07594	0.6
247.06042	0.3
249.07518	0.2
255.06255	0.3
256.07208	0.2
257.08054	0.9
259.09592	0.7
269.08017	0.8
271.09607	2.2
272.09888	0.3
283.09607	0.6
287.12732	8.0
288.13120	0.5
311.12717	11.9
312.12943	0.7
329.13748	8.7
330.14081	0.8
347.14655	0.4
347.18301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1485
Annotation	Eremantholide C
Peak:m/z	Relative Intensity
55.01861	1.4
55.05492	2.6
58.06597	1.0
59.04998	1.1
63.31883	0.8
64.65258	0.9
67.05494	7.1
67.24503	0.7
68.57758	0.7
69.07059	14.2
71.04974	1.2
76.46935	0.7
77.03926	1.0
77.29723	0.7
79.05482	2.5
81.07063	4.6
83.01324	0.9
83.08586	1.0
91.05470	1.4
93.07037	1.6
95.04957	1.9
95.08596	1.9
105.03391	3.8
105.07043	0.8
107.04952	1.3
107.08588	2.3
109.02869	0.9
109.10153	14.5
115.05389	0.9
119.04897	1.1
119.08566	1.3
120.02075	0.9
121.02889	1.3
121.06496	2.2
123.03508	1.5
123.04407	30.7
123.11686	3.1
127.11193	2.0
128.06186	0.9
129.77531	0.8
131.04907	2.5
131.08546	1.0
133.02823	34.8
135.04390	3.7
143.08519	0.9
147.04398	4.2
149.02313	2.3
149.05965	0.9
151.03885	41.4
161.02295	4.0
162.03075	1.0
163.03883	6.2
165.05411	1.5
167.03320	1.8
173.11703	2.2
175.03911	3.0
177.01807	1.5
177.05450	1.0
179.03372	34.4
189.05447	1.0
190.02617	2.7
191.03357	35.8
192.03697	1.6
193.04916	1.2
199.03914	3.2
203.03387	10.7
205.01312	8.1
205.04938	18.0
206.05261	2.6
207.02855	100.0
208.03183	3.0
213.05420	1.2
217.04956	3.3
219.02960	2.1
219.06453	6.6
221.04453	2.1
223.02408	2.7
229.04877	1.8
231.06503	2.2
233.08119	1.8
243.06425	1.2
245.04326	1.9
245.08112	1.8
245.78117	0.9
247.05992	1.5
255.06583	1.7
257.08139	1.6
259.09598	1.0
261.07565	5.9
269.07922	1.8
271.09656	1.6
287.12741	1.9
311.12827	2.0
329.13702	3.5
347.14825	67.2
348.15179	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	347.1672
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
54.41350	0.4
66.53487	0.4
70.82446	0.7
84.08080	0.6
85.02883	1.5
88.61037	0.6
88.64382	0.4
107.04958	0.6
129.10219	0.9
131.96693	0.4
136.06166	2.5
137.09601	0.6
145.04976	0.5
150.01491	0.6
151.03908	0.5
158.90811	0.5
167.10445	0.5
185.04268	2.2
185.05876	0.4
185.07800	1.1
185.11632	0.7
187.11229	0.4
203.05202	3.5
215.41177	0.6
301.12527	0.6
347.16699	100.0
348.17102	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	347.1697
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
67.05495	6.2
69.03412	4.7
69.77312	10.1
75.04459	3.5
79.05485	15.2
81.07054	22.7
85.02892	8.9
91.05464	7.4
93.07035	44.5
95.04946	3.9
95.08597	13.5
97.30972	3.6
99.08025	3.5
105.07047	8.2
107.04958	6.1
107.08593	5.7
109.02864	4.4
111.08079	3.0
121.10139	81.0
122.10461	3.8
123.11699	10.6
125.06026	5.2
136.07556	23.9
137.05989	9.7
139.11171	13.7
149.09612	6.5
151.03886	6.0
152.07056	5.7
163.07507	4.3
164.07051	11.4
167.10666	13.1
169.06544	3.0
191.03397	4.4
205.04936	3.5
207.02855	4.7
250.72026	3.4
311.10172	4.2
329.10910	5.7
347.12411	7.5
347.16711	100.0
348.17105	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	347.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60326	0.2
55.05496	0.6
58.52744	0.2
68.99769	0.5
69.07050	2.6
70.64082	0.6
79.05438	0.3
81.02534	0.3
81.07039	0.7
82.07423	0.3
83.01326	0.8
83.08622	0.3
87.37820	0.3
91.05473	0.6
93.07026	1.1
96.73656	0.2
103.05458	0.7
105.06982	0.3
109.06484	0.3
111.11660	0.3
119.04920	0.5
121.06493	4.2
123.11675	0.6
131.04900	2.8
134.03600	0.9
147.04393	0.4
149.05952	2.9
150.55525	0.3
159.04352	1.3
162.03099	7.9
163.03435	0.4
163.07448	0.3
175.07657	0.4
177.05428	2.0
189.05431	0.3
190.02586	15.8
191.02942	0.7
193.04822	0.4
199.03886	0.6
205.04933	100.0
206.05280	3.8
207.05359	0.4
213.05447	0.5
219.06494	10.3
220.06804	0.3
231.06482	0.9
233.08102	3.4
245.08043	0.5
246.07700	0.3
247.09579	2.0
259.09592	1.1
261.11194	1.9
273.11111	2.5
287.12634	0.3
317.17798	0.3
329.17447	3.0
347.18491	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	347.1849
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
54.54047	1.3
68.45380	1.2
69.46150	5.2
70.87843	1.2
77.72044	1.3
90.42867	1.3
93.07024	1.5
106.36208	1.3
120.97611	1.3
121.06507	2.1
131.04912	2.6
139.23875	1.4
149.05969	1.9
154.16644	1.2
159.04378	2.2
162.03091	7.2
165.05481	2.4
168.02127	1.5
177.05423	2.7
190.02570	13.8
205.04936	100.0
206.05247	5.6
207.05382	2.3
207.06557	1.3
219.06502	13.2
233.08037	3.0
247.09738	4.3
259.09680	1.7
261.11057	3.0
273.11221	2.8
279.04956	1.6
329.17319	4.1
347.17963	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	347.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.3
68.99743	0.4
69.03442	0.4
69.07053	4.7
69.55003	0.9
69.55396	0.9
79.05483	0.5
79.65083	0.4
81.07037	0.8
83.01331	0.9
83.08611	0.6
87.01406	0.4
90.67950	0.3
91.05456	0.7
93.07020	1.2
95.04968	0.4
95.08570	0.5
103.05447	1.0
115.05453	0.4
121.06499	4.1
123.11697	0.7
131.04903	2.3
131.13312	0.4
132.85039	0.4
133.06418	0.6
134.03612	0.9
147.04370	0.7
149.02272	0.4
149.05949	2.8
159.04382	0.6
162.03091	6.8
177.05473	2.3
190.02579	16.6
191.02927	1.3
193.04944	0.6
199.03815	1.1
205.04930	100.0
206.05249	6.2
207.05466	1.8
208.05768	1.5
209.06023	1.1
213.05325	0.6
219.04486	0.7
219.06494	9.9
231.06412	1.1
233.08051	3.2
245.08102	0.8
246.07716	0.6
247.09648	2.4
259.09442	0.8
261.11218	2.5
273.11203	3.5
287.12396	0.4
329.17502	6.1
331.35068	0.4
347.18546	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	347.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19216	0.7
55.05508	1.3
61.25547	0.8
67.05487	1.1
68.10105	0.8
68.99796	0.8
69.07067	2.0
79.05476	1.1
81.07042	2.7
83.01370	1.1
91.05457	1.9
93.07030	2.4
95.04953	1.4
95.08620	1.1
100.11266	1.2
102.64481	0.8
105.07014	1.2
107.08592	1.5
109.10130	1.4
119.08584	0.9
121.06477	5.0
123.11695	1.2
131.04915	2.9
132.94023	0.8
134.03676	1.0
147.04376	1.1
149.05980	1.5
151.03845	1.2
159.04449	0.8
162.03088	7.6
163.03854	1.1
177.05472	2.2
189.05469	0.8
190.02591	16.1
191.03337	3.6
191.07060	1.2
205.04944	100.0
206.05246	4.1
207.02843	2.0
207.06500	2.0
215.07036	1.4
217.08711	0.8
219.06479	11.9
227.07057	1.0
229.04851	0.9
229.08557	2.0
230.05688	1.2
231.06624	1.6
233.08099	4.0
239.08005	1.3
240.08856	0.9
241.08612	1.1
245.08160	2.2
247.09712	4.3
251.11258	0.8
259.09750	2.7
261.11224	2.1
273.11157	3.9
287.12561	1.2
299.10220	2.2
311.12650	1.0
315.13321	2.9
329.13727	2.3
329.17450	5.5
347.14746	1.1
347.18414	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	347.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
55.10625	0.8
61.91230	0.8
62.08790	0.8
63.56752	0.8
66.92966	0.7
67.05495	2.1
69.07069	1.5
79.05484	1.9
81.07047	7.1
88.07653	1.0
91.05475	0.9
93.07039	1.0
95.08581	1.6
97.10139	1.0
105.07048	1.3
107.04946	1.9
107.08570	1.3
109.06534	1.6
109.10136	4.3
123.11720	1.3
131.04927	0.8
133.10107	0.9
135.04469	0.8
135.11708	1.6
137.05937	1.1
140.94641	0.8
147.04362	1.3
150.03087	2.2
151.03937	1.0
161.05971	2.2
165.05458	100.0
166.05775	3.7
175.03929	1.6
177.05440	2.7
179.07027	2.8
189.05441	0.8
191.03268	1.0
191.07030	3.0
193.04939	23.5
194.05266	1.0
199.07466	1.2
203.10666	1.3
205.04930	4.1
205.08626	2.1
206.05309	1.8
207.05547	1.5
207.10146	1.9
219.06412	1.2
225.07552	33.9
226.07927	1.3
231.10158	5.5
234.05164	1.2
245.11613	1.6
249.07594	8.1
263.09229	1.1
284.93243	0.8
287.16388	18.6
288.16675	1.1
291.12149	1.8
291.43607	0.9
291.54486	1.0
292.82230	0.8
315.15826	2.3
347.18237	2.1
348.31235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2188
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.63187	1.4
57.07073	2.4
58.06590	3.2
59.11916	1.4
61.96122	1.7
66.18181	1.5
71.08610	1.6
81.07047	2.6
86.09682	2.0
88.07637	7.8
98.22715	3.9
162.55548	1.6
169.22498	1.8
171.70116	1.3
179.89906	1.7
190.61919	1.5
193.05017	1.9
234.15036	2.0
290.01462	1.6
292.22440	1.9
298.31058	2.4
299.31360	3.0
346.33060	7.4
347.21890	100.0
347.25729	5.1
347.33319	10.1
348.22125	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	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.05036	1.1
57.07069	1.9
58.06590	1.4
70.05424	1.0
70.05724	1.0
70.06588	1.4
71.08637	1.0
74.06087	0.9
76.82291	0.9
81.07026	0.8
81.57995	0.7
88.07625	5.2
100.27669	0.8
100.48927	0.7
102.09193	1.0
117.60602	0.7
135.08035	6.6
149.18791	0.7
177.12740	2.9
249.14603	2.0
266.35693	0.8
284.29367	1.7
285.29828	1.8
298.31149	1.8
299.31567	1.3
346.33041	6.5
347.21887	100.0
347.25659	6.2
347.33334	8.4
348.22171	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	347.2188
Annotation	Cortexolone
Peak:m/z	Relative Intensity
54.03521	0.7
56.05025	1.2
57.07055	2.3
58.06587	2.4
60.04497	0.6
70.06570	2.2
71.08603	0.8
71.45329	0.6
74.06062	0.8
88.07620	7.5
89.07973	0.8
93.07049	0.7
102.09162	1.4
109.06470	0.6
119.08569	0.6
135.08064	0.8
142.18114	0.7
204.51270	0.6
278.50986	0.7
284.29410	3.0
285.29807	2.6
298.31033	2.1
299.31348	2.6
312.14426	0.7
346.33084	11.1
347.21866	100.0
347.33383	14.8
348.22137	6.5
349.01907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26942	0.9
56.96563	4.5
57.03415	1.1
60.04540	1.7
61.02930	2.3
65.00741	0.9
66.73954	1.1
67.05499	1.4
69.03431	2.9
70.06611	2.1
70.75845	1.5
73.02941	1.0
74.06096	1.8
81.03436	1.1
84.04498	1.3
84.08151	1.0
84.96055	2.0
85.02898	15.3
85.03342	1.4
86.09721	4.0
95.04978	3.8
97.02867	5.3
98.97573	7.0
109.02873	1.9
109.22523	1.0
110.97571	1.0
113.26637	0.9
116.98641	5.5
123.04417	100.0
124.04794	2.0
127.03950	2.6
132.10210	1.4
133.59627	1.1
134.99683	2.4
136.06168	8.2
144.98123	1.4
145.04984	3.8
151.03889	54.7
152.04245	2.0
169.04947	81.0
170.05334	1.6
177.00714	1.3
180.08650	1.6
189.05545	1.6
189.08740	1.7
197.04529	1.3
232.03654	1.2
233.04906	1.3
234.05067	2.4
237.02911	2.0
296.05048	1.3
320.05371	3.1
338.06241	2.1
348.04587	2.2
348.13391	1.8
349.08865	7.0
349.13336	0.9
366.06027	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
55.05504	6.4
57.03445	2.4
58.06588	1.5
58.22214	1.2
60.04519	2.6
65.03906	1.6
67.05492	8.6
69.03421	5.3
69.07057	5.0
69.19244	3.1
69.19658	7.4
70.01173	1.2
71.04992	6.3
79.05468	13.1
81.03429	2.3
81.07045	29.4
83.04978	4.4
83.84686	1.3
91.05464	7.5
93.07037	20.2
95.04952	3.3
95.08601	4.9
97.06525	3.3
99.04456	5.5
105.07013	29.4
107.04939	2.0
107.08571	24.4
109.06520	7.0
109.10133	1.5
117.07030	5.7
119.08567	10.9
121.06488	10.9
121.10124	24.9
125.95089	1.3
127.07539	2.8
130.07814	1.7
131.08582	4.2
133.10130	4.6
135.08073	6.0
135.11684	12.8
143.08548	2.0
145.10088	30.6
146.10422	2.2
147.11665	4.0
149.09625	5.0
157.47704	1.4
159.11665	2.0
163.11157	100.0
164.11554	4.2
173.09550	3.7
181.12225	10.4
187.07492	7.2
191.10640	35.1
209.11696	97.3
210.12088	5.5
227.12708	20.2
275.20041	3.5
313.12854	1.7
348.21585	3.5
349.23691	2.9
349.27618	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33148	5.4
55.05505	25.8
57.03424	6.0
67.05497	79.3
69.07057	12.1
70.75692	9.5
71.08617	9.4
72.36509	5.2
79.05482	16.4
81.07051	48.0
83.04984	6.6
83.08588	15.8
91.05463	11.1
93.07011	15.1
95.04951	5.9
95.08577	13.4
97.10152	11.8
105.07008	8.5
107.08559	10.5
109.10156	69.7
119.08585	12.3
123.03350	4.8
125.09590	6.8
145.10112	5.8
149.13202	7.1
155.10623	15.8
161.13164	5.7
173.11731	100.0
179.69545	5.1
189.11160	14.4
195.13757	12.3
205.04958	14.9
219.45934	5.9
277.21533	29.9
348.18729	6.0
349.19833	18.4
349.23715	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	348.2741
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
50.05249	0.3
52.73855	0.4
53.03946	0.4
55.01866	0.4
55.05507	3.2
56.05024	4.2
57.03420	0.8
57.07061	0.4
57.49772	0.4
60.04517	100.0
61.04864	0.6
65.03917	0.5
67.05493	10.7
68.05029	0.9
68.05821	0.4
69.07066	2.3
70.06588	1.4
70.85348	0.3
71.04977	0.8
72.04507	2.6
74.06084	1.5
78.72475	0.4
79.05476	8.3
80.05013	1.1
81.03421	1.0
81.06567	0.7
81.07042	10.9
81.07494	0.8
82.06573	2.0
83.04964	0.8
83.08613	1.4
84.04462	0.5
85.06557	1.3
86.06075	0.6
88.07667	0.4
90.05548	1.2
91.05466	7.3
93.07031	7.0
94.06562	2.1
95.04975	1.4
95.08592	9.5
96.08138	1.3
97.06541	0.6
98.06039	0.5
99.08071	0.5
100.07596	0.7
101.71344	0.3
105.07001	4.6
107.08585	3.8
109.06516	0.7
109.10134	2.6
110.05967	0.4
111.08100	0.6
116.07096	0.5
117.07018	1.7
119.08559	2.8
120.08092	0.8
121.06525	0.6
121.10117	4.4
122.09651	0.7
123.11712	1.3
129.07014	1.2
130.08635	0.5
131.08505	1.9
133.10101	2.9
135.11685	3.0
143.08545	0.6
145.10112	1.6
147.11676	2.1
149.13242	0.8
157.10136	0.7
159.11681	1.4
161.13232	0.6
173.13367	0.5
175.14818	0.4
183.38496	0.4
187.07570	1.6
201.26236	0.4
203.17957	0.7
217.19543	0.7
218.65382	0.4
229.19368	0.7
241.19450	0.6
246.22354	0.4
258.22168	1.1
276.23251	3.2
294.24268	5.9
295.24554	0.5
312.25250	9.1
313.25745	0.6
320.19940	0.4
330.26337	27.2
331.26682	1.7
348.27386	47.6
349.27719	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	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
54.57510	0.9
55.05509	3.5
56.05025	2.6
59.43329	0.8
60.04516	100.0
67.05488	9.1
67.10611	0.8
69.07059	2.9
69.39653	4.8
70.06556	0.9
72.04506	2.4
74.06057	2.1
77.97514	0.9
79.05478	7.9
80.05015	2.1
81.07042	9.7
82.06586	0.9
85.06528	1.9
86.06010	1.0
91.05456	7.0
93.07035	9.8
94.06575	1.7
95.04950	2.5
95.08597	8.5
96.08185	0.9
97.06525	1.0
100.07613	1.2
105.07023	3.1
107.08595	4.6
109.06512	1.0
109.10163	3.7
119.08598	2.7
120.08092	1.0
121.06474	0.9
121.10155	3.3
123.08006	0.9
123.11695	1.0
124.02299	0.8
129.03603	0.9
129.06990	1.5
131.08533	3.8
133.10136	2.8
135.04424	0.9
135.11703	2.4
137.05928	1.1
145.10077	2.0
146.02710	0.9
147.11682	1.1
151.03905	1.4
166.05016	2.0
174.94684	0.9
187.07541	3.9
205.04840	1.1
259.20544	1.3
276.23288	3.4
294.24155	5.1
312.25229	8.3
330.26328	41.5
331.26459	2.3
348.27368	27.6
349.16223	2.3
349.27844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97082	4.1
56.96562	13.0
65.71535	3.6
70.06596	4.9
86.09734	4.3
98.97574	22.0
103.80636	4.0
110.97552	6.8
116.98610	11.1
123.04412	30.1
124.04741	24.2
124.60902	3.7
128.98563	9.1
137.14024	3.8
145.01736	6.6
146.99664	5.4
151.03886	11.1
152.04218	11.3
156.66827	3.9
159.31824	3.3
163.02763	3.6
169.04994	18.0
170.05260	19.4
188.03886	3.8
219.01796	17.7
237.02765	31.9
289.06012	10.0
296.16299	3.7
307.06952	12.8
349.08929	100.0
349.14142	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	349.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92535	0.6
57.35694	0.7
58.18465	0.7
69.03441	0.8
69.50740	2.3
70.20319	0.5
81.07045	1.2
81.65075	0.6
85.02927	0.8
93.07029	0.7
147.04369	2.2
185.04214	2.7
187.03662	3.5
187.07510	6.4
247.04659	0.8
265.05640	0.7
349.08896	100.0
350.09195	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	349.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12193	0.3
60.04520	0.5
62.72149	0.3
66.31311	0.3
67.05483	0.9
70.03646	1.0
78.74123	0.3
79.05481	0.8
81.07052	1.3
83.08585	0.3
91.05462	0.8
93.07033	0.8
95.04918	0.4
95.08587	0.9
98.22801	0.4
100.11248	0.5
105.07017	0.9
107.08566	0.5
109.10153	0.6
117.07006	0.6
119.08557	1.1
123.07983	0.3
129.19597	0.3
131.08543	0.7
133.10118	0.4
136.06178	0.4
136.07576	0.8
143.08583	0.5
145.10091	0.9
147.11731	0.3
156.70937	0.3
159.11711	0.5
171.11711	0.4
173.13258	0.3
176.12816	0.3
182.15474	0.4
185.04236	2.5
186.06514	0.5
187.07483	3.1
196.09660	0.5
214.10715	0.6
251.12996	0.3
279.61902	0.4
308.08633	1.1
349.12524	100.0
350.12839	5.7
350.28821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54257	0.3
52.87599	0.3
57.73407	0.3
67.30158	0.3
68.22211	0.4
68.81900	0.3
74.06089	0.4
79.32550	0.3
84.04494	0.6
84.17865	0.3
86.09672	0.7
99.45895	0.3
115.03894	0.4
130.06529	0.4
132.07999	0.5
144.06538	0.5
144.08046	0.5
146.05969	0.6
156.08025	0.5
187.09407	6.4
188.07198	0.4
189.08673	0.4
202.58136	0.4
229.09659	0.4
289.11133	0.4
331.12775	0.6
332.11377	0.4
349.14624	100.0
350.14932	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	349.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
54.24987	2.5
55.01873	6.6
55.05500	20.0
56.96552	13.0
57.03429	18.1
57.07062	4.2
67.05496	47.0
69.07045	22.6
69.13834	20.4
71.04981	3.0
76.90103	2.7
79.05476	57.6
81.03413	3.4
81.07045	100.0
82.87604	2.6
83.04983	6.1
83.08604	7.1
91.05460	47.3
93.07035	39.7
95.04959	11.7
95.08599	30.5
97.06521	6.2
97.10188	3.4
105.07013	46.9
105.07656	4.7
107.04940	8.0
107.08571	25.0
109.06496	33.0
109.10149	14.0
111.08071	5.2
117.07018	19.0
119.08556	26.3
121.10120	15.7
123.08041	5.2
123.11690	5.1
129.07010	4.8
131.08546	22.7
133.10095	29.6
135.11655	11.0
143.08543	3.5
145.10092	21.3
147.11673	18.9
149.09662	7.0
149.13252	8.2
151.11160	3.4
157.10132	9.3
159.11670	16.6
160.02393	3.0
161.13242	5.8
163.11198	4.5
165.12750	4.7
171.03487	2.6
171.11833	4.1
173.13243	9.2
175.14754	4.2
177.12784	4.1
179.14355	3.8
183.11653	3.3
197.13297	4.7
229.19476	5.1
233.61279	3.6
239.17946	5.6
243.08994	6.1
247.20581	6.2
257.19003	17.2
261.10098	4.6
272.51300	3.0
275.20056	32.4
331.15714	36.9
332.16028	4.1
349.16309	36.8
349.20053	15.1
349.23459	48.2
367.17865	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	349.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39543	3.3
50.95654	4.6
53.69833	4.1
55.05494	17.1
56.96552	61.5
57.03437	5.7
67.05493	32.5
69.07053	15.7
69.49967	17.2
70.03933	4.0
71.95225	6.1
79.05480	54.8
81.03416	4.5
81.07038	35.7
83.04967	6.5
83.08615	4.8
91.05450	31.4
93.07021	37.7
95.04955	10.5
95.08607	21.0
97.06486	5.7
97.96833	5.9
98.97578	7.3
103.05434	4.2
104.00815	3.8
105.06989	31.4
106.06550	5.2
107.04958	14.1
107.07941	5.6
107.08562	28.6
109.10131	8.1
110.97549	11.7
115.00708	4.1
115.96929	4.8
115.97784	6.7
117.06995	9.2
119.08562	20.6
121.10132	9.2
123.08007	3.8
128.98561	24.7
131.08548	13.7
133.10138	14.0
135.11696	6.5
145.10078	16.4
146.99637	9.5
147.11681	11.6
149.05925	10.7
149.09630	12.8
151.92889	4.7
159.11670	7.3
160.03934	5.9
167.03667	4.2
171.03311	6.9
171.11998	5.0
173.04831	8.2
178.01979	4.1
179.14351	4.2
180.21300	3.9
189.04332	5.6
199.06416	10.5
203.05937	6.6
205.07597	6.4
217.07504	13.5
223.02747	11.7
225.08118	4.3
229.07472	5.2
243.08971	20.2
257.18860	6.3
261.10010	10.7
262.08725	4.8
275.20047	26.6
279.08832	7.0
280.09821	13.7
331.15729	82.0
349.16644	100.0
349.23685	14.6
350.17123	5.6
361.62161	4.5
367.18054	20.4
372.18341	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	349.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
55.05499	18.9
56.96560	72.1
57.03421	13.5
67.05492	25.8
69.07054	21.0
70.21254	7.5
71.04975	4.4
79.05483	28.9
81.07047	34.1
83.04974	8.4
83.08620	4.4
85.06526	4.1
86.61655	3.1
91.05473	27.3
93.07029	35.6
95.04956	11.6
95.08591	19.8
97.06503	6.7
97.96810	4.9
105.07006	26.9
107.04958	10.4
107.08560	22.8
109.06506	11.1
109.10152	13.0
110.97546	6.4
115.00661	3.4
117.07021	10.6
119.08576	15.4
121.06493	16.5
121.10126	12.6
123.08060	6.0
124.42071	3.0
128.98552	5.1
131.08553	17.6
133.10115	20.3
135.08041	4.5
135.11659	7.0
141.06950	3.9
143.08594	4.7
145.10083	20.0
146.99709	3.2
147.08098	4.7
147.11707	12.4
149.09619	5.2
151.11137	3.8
154.57750	2.7
155.03819	3.2
159.11604	13.8
163.11142	4.5
169.05362	3.6
171.03224	3.9
171.11818	2.9
173.04828	4.8
173.09590	6.1
173.13196	8.0
175.11043	3.3
183.06918	4.5
185.04875	8.1
199.06462	16.9
201.07993	8.6
201.12767	5.0
203.05962	4.7
211.06401	8.2
213.07964	50.8
217.07520	15.9
219.09076	4.1
219.13734	6.3
229.07452	84.5
230.07686	4.5
231.09006	48.8
236.09706	5.6
239.17953	5.4
243.09016	22.6
247.08490	63.2
247.20547	5.6
252.09026	4.8
257.18970	13.7
261.10147	15.7
265.42133	3.1
275.20029	100.0
275.22922	6.2
276.20425	4.8
331.15750	12.7
349.16833	78.8
349.23453	27.7
350.17056	5.0
367.17831	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	349.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94781	5.7
55.01870	8.7
55.05491	28.8
56.96556	43.4
57.03417	18.2
67.05495	66.3
67.36501	6.0
69.07051	34.6
70.03907	7.0
70.04233	11.4
70.57695	7.1
79.05472	43.7
81.07041	56.4
83.04971	15.2
83.08586	9.9
89.93251	6.0
91.05458	68.3
93.07025	55.2
95.04956	18.0
95.08584	24.7
105.07005	58.7
107.04958	16.7
107.08571	27.8
108.56869	5.9
109.06470	16.0
109.10136	15.5
117.06985	26.3
119.08573	40.0
121.06448	14.3
121.10117	16.7
123.08056	13.3
129.06982	15.2
131.08556	36.8
133.10072	34.2
135.08067	14.3
135.11632	9.0
145.10104	37.2
147.11624	24.6
157.10097	12.8
159.11673	24.8
160.94557	5.8
161.13232	8.2
163.11137	8.7
171.11725	15.1
173.13240	20.9
183.11639	8.8
199.06378	7.3
201.12695	7.6
203.05850	8.8
214.11761	10.9
229.19568	8.8
239.17871	18.7
247.20399	7.2
255.09070	9.6
257.18942	35.7
267.08981	18.5
269.10522	22.0
275.20053	100.0
285.09970	17.7
291.12711	7.2
293.21136	10.8
309.13718	7.9
349.16925	25.0
349.23523	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1773
Annotation	Funebrine
Peak:m/z	Relative Intensity
55.05509	8.6
56.96560	44.7
57.03424	5.8
64.57721	3.5
67.05503	15.7
69.07063	20.1
79.05487	19.1
81.07045	29.3
83.08616	5.5
85.70981	3.8
91.05460	17.4
93.07042	17.1
95.04932	4.7
95.08602	5.9
98.97579	6.2
105.07043	11.8
107.08617	4.7
109.06506	10.7
110.97550	8.7
117.07008	7.2
119.08559	9.3
119.26397	4.1
121.10132	3.6
128.98613	12.5
129.48021	3.9
131.08528	9.2
133.10120	8.8
137.02669	3.9
137.37396	3.7
145.10109	10.7
146.99660	10.4
159.11685	7.0
166.52232	3.7
166.54825	3.5
167.03616	3.6
171.11786	6.1
173.13228	4.3
185.04929	3.7
199.06433	9.5
205.07489	6.1
212.04785	3.8
217.07480	11.6
219.17447	5.3
223.08502	4.7
228.23372	4.6
229.07666	4.3
237.07980	7.1
239.17865	6.2
243.09213	4.5
255.09032	27.2
257.18970	6.6
273.09885	18.0
275.20016	9.9
280.09845	6.9
281.10501	4.9
331.15750	51.5
349.16705	100.0
349.23111	17.7
350.16983	6.6
350.26703	5.3
367.17816	29.4
372.18362	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	349.1981
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
53.21227	1.1
53.66903	1.2
55.01866	1.6
55.05491	5.2
55.60587	1.1
57.03418	3.7
60.04512	4.6
67.05499	7.8
69.07063	3.7
71.04996	1.7
74.92741	1.1
79.05482	10.0
81.07046	11.6
83.04967	2.5
83.08611	2.0
91.05463	11.3
93.07033	8.9
95.04958	1.8
95.08590	5.3
97.06507	1.7
97.10182	1.3
105.07003	11.6
106.06558	3.0
107.04944	1.6
107.06884	1.4
107.08585	6.3
109.06522	2.1
109.10144	3.6
111.08006	1.4
117.07010	3.9
119.08580	8.5
121.10152	3.1
123.07986	1.3
129.07011	1.8
131.08571	6.1
133.10110	5.2
134.37108	1.4
135.08028	1.6
135.11668	1.3
145.10091	6.5
147.11678	2.8
149.09583	1.5
157.10115	2.9
159.11673	4.5
161.13286	1.5
165.75603	1.1
173.13286	1.6
183.11639	1.5
187.07530	1.8
210.07602	1.1
239.17891	2.8
257.19000	6.3
275.20078	9.8
331.18674	2.4
349.19797	100.0
349.23688	8.4
350.20081	5.2
350.28897	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1982
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
53.83907	1.9
55.05505	5.0
57.03452	1.9
65.17085	2.1
67.05495	4.3
69.07085	1.9
69.92327	6.0
71.04981	2.8
79.05476	6.5
81.07043	5.8
83.08608	4.0
91.05452	6.6
93.07035	4.7
93.87392	2.1
95.08627	4.3
105.07030	4.7
107.08591	3.3
109.10155	2.7
111.08068	2.3
111.68053	2.0
114.89503	1.8
117.06960	2.2
119.08541	2.6
131.08585	3.5
145.10107	3.7
149.09656	2.9
161.26933	1.8
171.11765	1.9
208.59941	1.8
349.19806	100.0
349.23505	5.7
350.20215	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	349.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19043	0.6
54.45396	0.6
57.07069	1.3
60.56592	0.6
65.82645	0.8
67.05498	1.5
69.07061	0.8
70.68188	1.3
70.68527	0.8
75.78881	0.8
79.05518	0.9
81.07040	1.2
91.05475	0.9
93.07032	0.8
95.08607	1.0
109.00517	0.7
109.06532	1.3
111.09289	0.7
119.08636	0.9
122.25527	0.7
123.08088	2.3
133.10121	0.9
141.42186	0.7
145.10133	1.0
179.14326	2.8
209.11452	1.6
249.14668	1.1
312.99527	0.8
349.23465	100.0
349.27216	5.6
350.23792	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	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
57.07060	2.1
69.07079	0.5
69.86584	1.6
70.70822	0.6
71.08610	0.8
73.01812	0.6
76.95135	0.6
88.61204	0.5
89.06023	1.3
93.07020	0.9
95.08610	0.5
109.06521	0.8
109.10141	0.6
123.08044	1.3
146.17096	0.6
153.78113	0.6
162.79707	0.5
179.14343	0.8
196.20213	0.5
203.90120	0.5
209.11484	1.6
235.40492	0.7
349.23450	100.0
350.23795	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	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24847	0.5
52.17253	0.6
55.05501	0.7
57.07065	0.7
60.34785	0.5
67.05497	1.4
69.07034	1.2
70.92597	0.5
71.04991	0.7
79.05476	0.9
81.07040	1.7
83.08578	0.7
91.05444	1.1
93.07034	1.4
95.04961	0.7
95.08585	1.2
98.22628	1.3
105.07018	0.6
106.88812	0.5
107.08583	0.9
109.06483	1.0
109.17952	0.5
116.60471	0.6
123.08079	3.4
135.11655	0.7
136.30524	0.6
163.22890	0.6
179.14310	4.4
200.45569	0.5
201.13103	0.6
204.96481	0.6
221.11415	4.0
221.15201	1.3
224.39758	0.6
249.26268	0.6
331.26108	1.0
349.23447	100.0
349.27194	5.7
350.23630	6.7
350.27109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01872	8.8
55.05505	17.1
57.03427	45.2
67.05502	45.1
69.07052	17.5
70.32018	9.0
79.05480	55.3
81.07050	50.8
83.04971	7.6
83.08611	7.5
85.06530	16.7
91.05473	66.8
93.07035	52.4
95.04996	8.9
95.08603	34.8
97.06541	8.4
99.04465	5.3
105.07018	53.7
107.04928	11.2
107.08578	35.1
108.55876	3.7
109.06487	13.2
109.10155	8.9
111.08112	5.8
117.06998	19.4
119.08567	38.4
121.06567	5.7
121.10117	14.2
123.08047	7.6
125.09600	4.4
129.07018	9.1
131.08554	31.9
133.10104	28.8
135.08080	8.9
135.11690	10.7
143.08540	9.2
145.10126	36.0
147.11671	23.0
149.09561	9.7
159.11641	24.1
161.13301	4.3
169.10078	4.8
173.13338	10.0
175.14862	4.0
185.13226	10.5
187.14943	4.5
201.16368	9.6
203.14297	5.4
219.17407	100.0
220.17760	5.2
234.49225	3.6
257.18945	21.0
275.20081	32.8
276.20343	4.3
349.19769	74.7
349.23712	45.5
349.31482	6.8
350.20071	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	1.7
55.01861	6.4
55.05504	13.8
56.96523	2.9
57.03426	14.6
57.07029	3.4
65.03907	1.3
67.05492	30.3
69.03384	2.7
69.07057	16.4
69.74600	2.6
71.04948	2.4
77.03895	0.9
77.16132	0.7
79.05479	28.2
81.07043	33.5
82.07352	0.9
82.15746	0.7
83.04965	7.9
83.08610	4.4
85.06509	2.1
91.04880	0.7
91.05462	26.5
93.07027	31.9
95.04431	1.0
95.04948	10.3
95.08588	22.9
97.06526	3.6
97.10140	1.9
97.71954	0.8
99.08004	0.9
105.04455	1.4
105.07010	29.9
107.04939	10.9
107.08574	21.3
109.05859	1.0
109.06499	13.4
109.10136	10.0
111.08022	2.9
115.05422	0.9
117.06986	11.0
119.08556	16.1
121.06491	13.2
121.09397	0.9
121.10121	10.1
123.08049	5.8
123.11652	2.8
125.09567	0.8
128.06157	1.2
129.06973	2.7
131.08554	18.6
132.08847	1.0
133.06419	3.1
133.09193	1.4
133.10112	20.9
134.10385	1.1
135.08052	5.9
135.11650	5.5
137.09557	3.2
139.07445	0.8
141.06926	1.5
143.08546	3.7
145.06413	1.3
145.10114	14.5
145.11246	1.5
146.48174	0.8
147.08034	3.8
147.11653	10.5
149.09557	7.5
149.13182	3.3
151.11165	5.5
155.08488	2.3
157.10085	3.5
159.07999	3.0
159.11665	10.0
161.09613	4.3
161.13284	3.5
163.11162	7.0
169.10085	1.6
171.11655	2.9
173.09593	3.6
173.13185	5.8
175.11145	3.4
175.14763	0.9
177.12686	2.4
183.11562	2.5
185.13145	1.7
187.11107	3.4
187.14716	2.2
189.12602	1.6
191.14272	3.5
197.13152	2.2
201.12825	4.0
202.13156	0.9
205.15875	1.0
205.19524	1.1
207.13730	3.2
211.06216	0.9
213.07861	2.2
213.16275	0.9
215.14386	1.6
215.17868	2.0
217.07437	1.0
219.13791	4.3
229.07425	4.4
229.19466	3.4
231.08926	2.6
231.17448	1.0
233.15436	1.3
233.18935	1.8
239.17903	4.5
243.08987	1.8
247.08406	2.2
247.20471	4.1
257.18954	19.1
258.19312	1.3
261.10068	1.0
275.20004	100.0
276.20401	7.0
293.21024	6.2
349.17261	4.8
349.23672	29.9
350.24170	2.2
367.17780	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	6.0
55.05502	15.6
56.96547	2.5
57.03430	15.9
57.07056	3.7
65.03922	1.3
65.72401	1.2
67.05495	29.0
69.07054	18.1
69.71006	4.9
70.03430	1.2
71.04987	2.0
71.08648	1.3
79.05482	30.3
81.07044	37.6
83.04956	7.6
83.08600	5.6
85.06507	2.0
91.05466	27.2
93.07028	32.0
95.04955	10.1
95.08592	16.8
97.06522	4.8
97.10153	3.6
105.07013	29.3
107.04915	10.1
107.08587	18.6
109.06515	12.8
109.10146	9.5
117.06998	9.7
119.08560	18.6
121.06479	13.9
121.10107	9.4
122.45695	1.3
123.08049	5.7
123.11697	2.9
129.07021	2.9
131.08548	18.8
133.06458	3.4
133.10109	20.3
134.10411	1.5
135.08038	6.5
135.11639	6.3
137.09595	4.0
143.08549	3.5
145.06500	2.5
145.10106	15.3
147.08020	3.4
147.11699	12.6
149.09578	7.1
149.13206	3.5
151.11165	6.6
155.08504	2.4
157.10085	2.5
159.08067	2.2
159.11659	8.8
161.09624	2.2
161.13234	3.9
163.11162	6.4
163.14819	1.9
169.10052	1.2
171.11755	3.9
173.09587	4.2
173.13214	7.6
175.11172	2.4
177.12738	3.0
183.11671	3.7
185.13193	1.5
187.11087	2.6
189.12698	2.4
191.14293	2.3
197.13211	1.5
199.14668	1.4
201.12782	3.8
207.13898	2.5
213.16241	1.6
215.14331	1.5
215.17920	2.4
219.13766	4.3
229.19478	3.6
231.17384	1.9
238.25513	1.3
239.17921	4.6
247.20520	3.7
257.18945	17.5
275.20013	100.0
276.20337	5.1
293.20950	7.5
296.10464	1.4
349.19470	1.8
349.23642	28.2
349.27759	2.2
349.34106	1.6
350.23938	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.3
55.01864	11.6
55.05502	46.0
56.96549	5.8
57.03425	17.9
57.07063	2.3
59.04971	1.6
65.03934	2.3
67.05493	61.2
69.03422	2.7
69.07061	22.0
71.04972	4.9
77.03924	2.0
79.05479	100.0
80.05803	1.4
81.03393	9.8
81.07041	50.6
83.04966	21.8
83.08607	15.8
85.06524	3.5
91.05467	45.2
93.07030	59.1
94.07355	1.8
95.01306	5.9
95.04954	16.0
95.08585	24.4
97.06519	13.3
97.10146	11.1
99.79342	1.3
102.09182	2.0
105.03377	5.9
105.04484	1.6
105.07011	49.1
106.06540	5.8
106.85354	1.3
107.04939	33.5
107.06876	2.8
107.08574	49.7
108.08881	1.9
109.06500	6.5
109.10137	19.9
111.04435	2.8
111.08087	3.9
111.80908	1.4
112.63783	1.3
117.06995	14.7
119.08559	30.0
121.06474	6.3
121.10120	21.4
123.08038	6.1
123.11695	4.1
125.09636	10.7
129.06967	4.4
131.08537	21.9
133.06487	1.5
133.10110	33.3
134.06035	2.4
135.06381	2.4
135.08032	5.9
135.11635	6.7
137.09572	2.5
141.06953	2.3
143.08508	2.7
145.10088	16.8
147.11690	17.3
149.05997	7.1
149.08456	2.9
149.09595	42.0
149.13255	2.9
151.11172	2.1
153.09111	1.9
157.04929	1.7
157.10075	2.8
159.11678	11.6
161.13197	8.8
163.11166	4.0
163.14816	3.4
169.10023	2.5
169.12233	3.7
171.10216	1.8
171.11720	3.5
173.11720	4.0
173.13249	6.7
177.12735	3.9
179.14311	9.4
183.11638	2.4
187.11208	2.9
187.14806	1.7
189.11159	3.3
191.14272	2.4
193.12299	1.6
197.13182	3.4
209.15331	3.7
213.07941	2.3
228.23230	4.5
229.07465	2.5
229.19484	6.7
257.18982	7.7
275.19986	41.1
275.22903	2.5
276.20422	2.7
304.73801	1.5
331.15747	3.0
349.16678	5.2
349.23712	30.4
349.93912	1.8
350.26831	5.5
374.57889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11526	1.4
53.03941	1.4
53.54559	1.2
55.01862	1.8
55.05497	8.6
57.03430	40.6
57.07065	1.7
59.04983	1.5
65.03935	1.4
67.05161	2.2
67.05495	32.5
69.03411	1.7
69.07053	8.4
71.04977	2.3
77.03925	2.4
79.05482	34.6
81.03418	1.7
81.07045	26.1
83.04974	3.6
83.08603	4.6
85.06530	10.0
91.05466	45.4
92.05785	1.9
93.07030	36.4
94.07358	1.1
95.04967	6.4
95.08600	17.4
97.06522	2.9
97.10159	2.3
99.04413	6.3
105.04472	2.5
105.07015	30.3
107.04900	3.0
107.08578	15.8
109.06506	9.1
109.09520	1.3
109.10127	8.0
113.09585	1.5
115.05368	1.4
117.07011	12.3
119.08559	23.3
121.06487	3.4
121.10107	11.1
123.08049	5.3
123.11724	2.1
129.06972	3.0
131.08542	18.0
133.10107	18.1
135.08038	4.1
135.11685	7.2
137.09615	3.0
143.08482	3.3
145.10094	10.7
147.11629	7.3
149.09560	2.9
153.12688	3.4
157.10094	2.9
159.11635	6.7
161.09657	1.4
161.13206	3.2
169.10101	1.6
171.11749	2.0
173.13225	5.1
183.11627	1.8
185.13281	3.5
197.13222	1.5
201.16292	4.5
203.14270	3.2
209.15317	1.8
219.17406	100.0
220.17732	5.0
257.18945	2.7
275.08777	1.3
275.20047	12.5
349.23679	14.2
349.33908	1.5
350.24680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.3
55.01862	12.3
55.05504	53.5
57.03429	15.9
59.05002	2.6
65.03935	3.4
67.05495	52.7
69.03421	3.9
69.07061	21.1
71.04979	4.7
71.18764	1.6
79.05482	100.0
80.05816	2.0
81.03407	5.9
81.07042	45.5
83.04967	27.5
83.08604	13.0
85.06538	4.0
91.05465	41.4
93.07028	63.7
95.01307	2.4
95.04958	14.7
95.08593	24.7
97.06501	11.8
97.10151	13.1
98.23428	1.9
99.08102	2.0
105.04478	3.4
105.07011	42.4
107.04940	30.7
107.08577	61.7
108.08917	2.0
109.06480	7.9
109.10136	23.6
111.08090	4.7
112.60826	1.3
114.34190	1.6
115.05426	1.7
117.07008	14.5
119.08564	25.3
121.06490	2.4
121.10116	22.4
123.08065	4.2
123.11687	4.8
125.09603	14.8
129.06981	3.1
131.08540	17.4
133.10114	22.6
135.08028	8.4
135.11700	6.2
137.09596	1.6
141.06967	1.5
143.08525	2.1
145.10094	14.5
147.11659	14.9
149.09596	52.2
149.13268	2.5
150.09943	1.6
153.09097	3.3
155.08626	1.8
157.10037	2.8
159.11659	9.1
161.09558	1.6
161.13292	5.4
163.11201	4.0
163.14763	4.9
169.10101	1.9
169.12250	4.1
171.10178	2.3
171.11668	2.3
173.11736	4.8
173.13254	4.9
177.12717	3.5
179.14275	4.3
187.11189	3.1
187.13165	1.9
189.11182	5.4
189.12726	2.2
191.14337	3.7
197.13312	2.2
209.15349	4.0
229.19548	5.6
239.17836	3.7
247.20547	3.6
257.18933	8.2
263.77179	1.4
275.20013	41.1
276.20395	3.5
349.12909	1.8
349.19736	6.0
349.23627	32.1
349.27652	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18879	1.5
53.03934	2.4
55.01870	2.5
55.05504	17.9
57.03429	47.2
57.07063	2.4
58.16455	1.4
65.03908	2.1
67.05498	38.8
69.03428	1.8
69.07064	8.7
69.47016	6.8
77.01575	1.5
79.05479	36.2
79.05939	2.0
81.03403	1.7
81.07047	35.1
82.07362	1.6
83.04966	5.2
83.08614	5.9
85.06538	11.2
91.04971	1.9
91.05466	53.0
92.05803	2.0
93.07028	44.8
95.04959	10.4
95.08588	25.9
97.06528	3.8
97.10165	2.7
98.22646	2.3
99.04457	7.6
105.04493	1.9
105.07011	36.0
107.04943	6.4
107.08575	21.2
109.06506	12.2
109.10144	8.0
111.08080	3.9
117.07010	20.9
119.08562	32.3
121.06499	3.9
121.10126	15.0
123.08015	4.4
129.07005	5.8
131.08542	32.0
133.10098	20.3
135.08026	6.1
135.11690	8.3
137.09612	4.7
143.08540	5.1
145.10107	18.0
147.11627	8.4
149.09633	3.7
153.12697	3.9
157.10120	3.3
159.11635	11.9
160.19742	1.9
161.13281	2.1
163.11113	2.0
169.10089	1.7
171.11676	4.0
173.13272	5.1
175.14813	2.5
177.12677	2.1
183.11768	1.8
185.13246	4.3
201.16426	7.5
203.14268	4.0
219.17406	100.0
220.17731	4.7
239.17950	2.6
257.18945	5.3
275.19980	14.6
304.18106	1.8
349.19720	4.4
349.23676	20.3
356.26370	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	1.6
53.03930	3.9
55.01868	14.1
55.05504	51.1
57.03422	14.9
57.07056	3.0
58.48848	1.2
59.04995	1.9
65.03933	2.5
67.05492	51.1
69.03419	2.7
69.07061	13.1
69.22518	3.0
69.22916	4.9
71.04976	6.2
77.03896	2.1
79.05482	100.0
81.03406	3.5
81.07046	38.0
83.04965	25.4
83.08610	10.3
85.06532	3.3
91.05466	38.1
93.07031	56.9
94.07379	2.4
95.04960	15.0
95.08595	17.8
95.47729	1.3
97.06537	9.4
97.10159	14.5
99.08084	1.8
103.05438	1.5
105.04578	1.5
105.07012	38.9
107.04948	30.7
107.08577	58.3
108.08901	2.1
109.06528	5.7
109.10134	22.7
111.08070	3.7
115.05490	1.6
117.06995	14.1
119.08565	27.4
121.06484	3.6
121.10131	20.3
123.08040	3.8
123.11695	4.8
125.09586	16.3
129.06970	2.5
131.08536	12.4
133.10109	23.7
135.08025	7.0
135.11665	6.9
137.09576	2.8
143.08565	2.2
145.10129	9.8
147.08044	1.7
147.11670	13.6
149.09595	46.0
149.13197	2.9
150.09958	2.6
151.11246	1.5
153.09052	1.8
155.08566	1.7
157.10121	2.2
159.11703	8.4
161.13252	4.1
163.11179	4.1
163.14807	3.6
169.10025	1.5
169.12209	3.8
171.10260	3.1
171.11769	3.8
173.11746	3.6
173.13307	5.0
177.12778	1.9
179.14317	2.1
183.11700	2.3
187.11221	2.1
187.14793	1.8
189.11162	7.6
191.14268	2.4
197.13289	2.0
205.12167	1.6
209.15327	4.5
229.19536	6.2
233.15297	1.7
239.18004	2.6
247.20494	4.0
257.19006	8.6
275.20001	39.4
276.20331	2.5
293.21225	1.2
349.23651	32.5
349.27274	2.7
349.34100	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03926	0.7
55.01866	0.9
55.05509	5.7
57.07061	2.1
61.02308	0.5
65.03937	0.5
65.21432	0.5
67.05498	7.4
69.03382	0.5
69.07060	11.4
69.16154	0.6
70.60995	0.9
71.04969	1.6
71.08607	1.2
73.06566	0.6
79.05489	5.1
81.07049	10.0
83.04951	1.1
83.08609	4.4
85.06522	1.2
91.05457	2.7
93.07051	5.4
95.04955	1.0
95.08597	8.9
96.75649	0.5
97.06532	2.1
97.10174	0.9
99.08103	0.7
105.07030	4.0
107.08599	5.8
107.31686	0.5
109.06507	15.8
109.10136	4.7
111.08067	2.2
117.07040	0.6
119.08557	3.7
121.06480	0.9
121.10139	4.4
122.07305	1.2
123.08053	78.2
123.11671	1.9
124.08389	2.2
125.09576	0.8
131.08546	1.0
133.10155	2.7
135.08025	6.5
135.11667	1.9
136.08777	0.7
137.09604	3.8
145.10129	1.5
147.11674	2.2
149.09601	1.2
149.13275	2.5
149.35718	0.5
151.11153	1.1
159.11653	1.4
161.13223	1.7
165.12717	0.7
173.13200	0.9
177.12741	1.0
179.14293	20.6
180.14655	0.8
226.03868	0.5
233.19193	0.9
272.27008	0.5
275.20059	1.5
281.21136	0.8
289.25131	0.8
293.21072	18.7
294.21429	1.5
307.22583	1.0
331.18637	0.9
331.26166	4.0
349.27325	100.0
350.23471	1.0
350.27628	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	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03933	0.5
55.01861	0.7
55.05505	5.9
55.51080	0.4
57.07071	1.7
59.04987	0.4
63.19661	0.3
65.39839	0.3
67.05496	5.0
69.06703	0.7
69.07059	10.0
71.04985	1.4
71.08619	0.8
73.06560	0.6
73.93909	0.3
79.05484	4.1
81.07050	8.1
83.04977	0.8
83.08619	3.8
85.06538	1.0
88.35974	0.3
89.77687	0.3
91.05464	1.8
93.07032	5.0
95.04943	0.7
95.08595	8.3
95.09196	0.4
96.98867	0.3
97.06524	1.8
97.10144	0.7
99.08109	0.4
105.07014	3.1
107.08583	4.7
109.06504	10.9
109.10150	3.0
111.08098	1.7
119.08555	3.7
121.06476	0.5
121.10119	3.5
122.07270	0.8
123.08053	60.8
123.11692	1.2
124.08360	1.8
125.13273	0.4
129.00786	0.3
131.08585	0.8
133.10123	2.6
135.08034	4.6
135.11653	1.8
136.08858	0.8
137.09584	4.4
137.13232	0.9
145.10088	1.0
147.11659	1.6
148.03719	0.4
149.09599	1.5
149.13213	1.9
151.11116	0.7
152.03258	0.4
159.11685	1.2
161.13269	0.8
163.11169	0.6
165.12778	1.0
167.14316	0.5
173.13176	0.6
175.14824	0.6
177.12767	0.5
179.14288	17.4
180.14705	0.5
218.45421	0.4
231.15724	0.5
233.19020	1.0
263.20062	0.5
275.20016	1.5
281.21188	0.5
289.25177	1.4
293.21072	16.8
294.21487	1.3
303.26849	0.8
307.22699	0.7
331.26254	4.2
349.27328	100.0
350.27646	6.8
355.21527	0.4
357.97891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77858	1.2
55.05507	1.8
57.07069	39.9
62.21411	1.2
65.10957	1.1
67.05499	2.3
69.07057	3.0
71.08620	26.9
71.08984	2.0
73.06528	2.4
74.47736	1.2
79.05503	2.9
79.90157	1.1
81.07058	2.7
83.08626	1.7
85.10165	21.1
89.06020	100.0
90.06339	1.5
91.05465	2.2
93.07050	3.4
93.34883	1.3
95.04945	2.3
95.08614	3.3
97.10152	2.9
99.11717	2.5
105.07014	1.6
107.07064	6.8
107.08598	3.0
113.13242	1.2
117.07000	1.3
119.08559	1.5
123.08003	2.5
130.08621	1.5
131.05937	1.2
133.08594	31.7
133.10153	1.8
135.49135	1.4
151.09648	4.8
155.18044	1.3
159.11688	1.3
167.64862	1.4
177.11235	5.2
179.14287	4.3
191.51309	1.3
195.12251	17.6
198.14827	1.5
246.44177	1.2
325.96887	1.4
349.23560	4.9
349.27377	5.3
350.23755	1.6
356.06113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.0
68.40360	0.9
69.06784	5.9
72.08108	0.9
85.02842	1.0
88.18011	0.8
98.23506	1.5
98.97549	2.5
101.00864	9.5
104.20273	0.8
104.43923	0.8
113.00852	7.3
116.98646	0.9
119.01910	29.8
120.01981	1.8
131.01883	21.5
132.01961	0.9
136.06168	45.3
137.02953	6.1
139.02388	1.1
143.01880	2.4
147.01363	1.0
149.02916	1.4
155.01894	2.8
157.02176	0.9
157.03450	18.7
158.03114	1.9
161.02965	7.7
167.01900	4.6
173.02985	4.3
175.04527	5.5
176.04153	27.4
177.00711	1.8
177.04239	1.3
184.90849	0.8
185.01413	1.6
185.02939	18.4
186.02956	1.0
188.03767	3.1
191.04225	1.1
194.05211	64.2
195.05382	3.8
203.04012	3.2
204.03661	2.2
209.05267	1.9
212.06271	5.6
215.03932	0.9
217.04507	2.0
218.05206	45.6
219.05272	3.8
221.05246	1.2
222.04707	1.8
227.06407	0.9
230.05194	39.2
231.05333	1.6
232.06808	1.8
233.05130	4.0
236.06235	20.9
237.06435	1.0
244.06804	1.4
246.04584	1.2
248.06256	13.7
249.06441	1.2
250.07669	1.2
254.07208	5.9
256.05276	1.6
258.06714	2.7
260.06168	2.2
270.06659	5.8
278.07443	1.4
299.26508	0.8
308.08325	6.9
309.08707	2.4
326.09335	12.8
350.09381	100.0
351.09589	9.4
368.10181	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	350.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55522	3.3
61.02926	4.3
63.00415	3.4
65.03946	5.2
68.28664	3.7
69.03416	6.2
69.84917	13.0
78.65589	3.7
83.04986	5.5
84.08159	5.2
85.02898	11.6
93.03368	3.6
94.47796	3.4
97.02885	7.4
98.22727	4.8
98.97556	4.7
102.52754	3.5
109.12768	3.8
111.04437	32.5
117.76614	3.4
139.03868	82.1
145.04962	4.3
163.22357	3.6
171.06490	100.0
188.03761	9.0
219.07697	6.7
247.14227	4.0
276.07571	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	350.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17173	1.4
65.03920	2.2
67.05492	16.6
70.09680	3.5
78.07100	1.4
79.05487	10.5
81.07037	6.6
83.04974	2.2
85.02916	2.5
86.09687	3.4
91.05453	9.6
93.03372	2.1
93.07024	4.0
95.04951	1.6
97.02875	2.2
105.07010	6.1
107.08575	100.0
108.08868	2.4
109.06472	2.9
109.10139	8.5
110.24296	1.6
111.04427	10.6
116.07056	2.1
119.06108	1.6
120.08099	4.2
125.09619	18.3
135.08020	9.0
142.08664	2.5
149.05930	1.9
153.07819	2.4
153.09073	47.1
153.10265	3.3
154.09460	2.1
171.07986	2.1
177.05544	3.1
178.05836	2.1
181.04901	2.6
187.07449	2.0
188.07883	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46034	9.0
55.05507	12.8
59.05016	9.2
60.17480	10.0
67.05509	16.0
69.07065	31.6
70.51272	18.2
71.04991	31.3
79.05481	26.3
81.07046	79.8
83.08608	12.2
85.02895	15.2
91.05473	37.2
93.07030	65.6
95.08583	31.8
95.66190	8.5
99.04446	8.9
100.11253	17.8
101.06935	9.7
105.07028	19.9
107.08566	65.1
109.10139	12.3
111.31873	8.7
120.08092	48.5
133.10179	11.3
135.11700	79.2
137.05968	10.2
151.03864	21.4
152.04227	13.2
153.12729	100.0
170.80249	9.0
187.07520	25.0
188.07899	19.7
191.11755	12.2
205.04910	10.3
238.88083	9.4
263.48410	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	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77927	4.5
55.05495	10.6
57.03424	5.5
59.09425	5.6
60.04519	14.4
64.54088	5.2
66.72623	4.6
67.05488	14.7
69.03406	9.5
69.07053	9.8
71.05019	5.0
79.05473	15.0
81.07059	28.3
82.06549	6.2
83.04955	5.7
83.08594	8.2
85.02889	17.2
86.09669	10.6
91.05463	22.1
93.07042	61.9
95.08601	35.4
97.06534	30.9
99.04432	4.9
105.07006	32.3
107.08584	69.5
109.10148	49.4
116.32651	5.6
119.08594	7.1
120.08086	21.0
123.11677	16.8
127.03894	8.5
131.08615	5.2
133.10107	12.2
135.11674	100.0
153.12694	44.1
161.09579	7.0
163.11249	5.5
171.13791	38.5
188.07916	5.4
204.08633	22.2
240.71950	5.1
350.27063	16.4
361.74792	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	350.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.7
55.06211	1.5
57.07039	2.0
67.05484	4.9
67.40377	1.7
69.07053	9.4
70.07391	1.9
79.05463	4.1
80.05807	3.1
81.07031	7.3
82.07361	2.5
83.08600	4.1
91.05475	2.1
93.07016	4.5
95.08585	7.7
97.06562	1.9
98.22607	3.6
106.91415	1.9
107.06509	2.1
107.08574	3.9
109.06508	6.3
109.10127	2.2
111.08012	2.6
123.08038	37.7
124.08369	19.6
138.09868	2.1
248.15410	2.0
293.20999	3.8
294.21326	11.7
323.71768	2.0
332.26749	4.1
350.27667	100.0
351.27924	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	350.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.6
56.05022	2.4
57.07061	1.2
60.04519	100.0
61.04858	1.2
63.61005	1.0
67.05495	12.8
69.03421	2.6
69.07069	7.1
70.06582	1.1
71.43132	0.9
72.04492	2.8
74.06062	2.6
79.05487	9.6
80.05017	1.5
81.03409	2.7
81.07044	16.4
82.06577	2.5
83.04935	1.6
83.08615	4.3
84.04504	0.9
85.02892	1.3
86.03425	0.9
90.05546	1.0
91.05466	7.3
93.07039	8.0
94.06509	1.1
95.04955	1.3
95.08601	12.6
96.08926	1.0
97.02901	1.2
97.10198	1.2
99.04383	1.2
100.11243	2.0
102.05524	1.9
105.07005	12.6
107.08582	4.9
109.06490	2.2
109.10147	6.2
116.07064	1.4
117.07080	1.3
117.14941	1.0
119.04906	1.0
119.08573	2.9
120.08103	1.2
121.06530	1.1
121.10134	6.5
123.11688	2.4
127.03907	1.3
131.08546	2.4
133.10117	8.3
135.11668	3.8
137.05962	1.3
137.13274	1.9
145.10089	2.2
149.13213	2.2
152.13025	0.9
161.05974	1.0
161.09592	4.9
163.11116	1.2
167.14264	0.9
187.07542	1.5
188.07919	3.2
189.09103	1.7
219.20999	1.9
221.85608	0.9
229.15779	1.1
234.36679	0.9
260.23605	1.5
275.07114	1.2
276.07748	1.4
278.24771	4.5
290.09164	1.1
296.25824	13.2
304.18936	1.5
314.26785	13.1
319.09644	3.5
323.15295	1.1
332.27927	42.4
333.28226	3.5
350.28967	54.0
351.12750	2.8
351.14114	3.4
351.21024	1.5
351.24542	3.0
351.29288	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	351.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23706	2.4
56.96553	8.1
67.57407	2.4
69.43639	5.1
69.44044	7.3
73.72154	2.6
81.89603	2.6
93.98866	2.6
98.22793	5.5
98.97583	7.4
101.00877	5.7
103.00591	5.5
103.02439	2.9
116.98531	2.7
119.01920	6.5
120.01999	2.9
121.01672	11.9
128.40398	2.4
131.01888	10.3
133.01613	3.9
133.03395	3.7
138.64499	2.4
140.98590	2.6
143.01910	3.2
145.01631	5.7
145.03493	8.2
155.01860	6.4
157.03500	5.5
161.02972	5.2
167.01787	4.0
170.99611	7.2
171.05028	4.0
173.02966	8.0
175.02704	2.7
175.04578	2.9
175.58232	2.6
185.03003	5.1
189.00638	17.5
198.99280	3.2
199.04507	3.8
207.01752	7.5
217.00099	10.8
221.05159	3.6
231.01718	13.5
233.03297	3.5
235.06543	3.4
249.02748	19.5
257.04834	3.2
261.02945	3.1
289.07648	10.6
291.03635	5.7
333.06445	5.5
351.06866	100.0
351.12289	24.6
352.07550	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	351.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96279	0.9
56.96556	12.9
58.54060	0.5
61.57451	0.5
69.46624	1.8
77.93127	0.4
84.96017	3.0
85.02869	0.8
91.05498	0.7
97.96788	0.5
98.97565	100.0
99.97881	0.6
100.87133	0.5
110.97533	7.6
112.99120	1.2
116.98601	39.5
119.01895	0.6
127.00670	0.7
128.98572	7.3
129.02193	0.9
131.00171	1.2
134.99629	8.2
140.00136	0.8
140.98552	1.1
143.00142	2.0
144.13867	0.8
144.82458	0.4
144.98178	0.6
145.01683	1.5
146.05969	5.4
146.99648	2.6
147.03281	2.2
152.98570	1.3
158.99631	31.2
159.99940	0.5
161.01172	1.7
162.94704	0.5
162.99126	0.6
163.02698	1.4
165.04317	2.2
169.09599	0.5
170.99557	2.4
171.03229	4.1
173.07025	2.5
175.02736	0.8
177.00681	29.3
177.99220	0.5
178.01015	1.0
189.00694	1.5
189.04289	8.3
190.04852	0.6
190.14302	0.6
195.01726	2.0
201.00705	1.4
201.04712	0.6
201.06546	3.8
204.10210	0.6
207.05354	2.5
219.01741	8.8
219.05429	0.9
219.07565	8.4
221.02966	0.7
231.05377	2.1
237.02769	13.7
249.06306	0.7
255.03929	0.8
291.07407	17.4
292.07831	0.6
309.08511	53.9
310.08823	2.2
318.99017	0.5
332.10071	1.4
351.09546	24.1
352.10046	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	351.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96281	1.7
56.96552	20.8
66.29508	0.8
71.08526	0.9
80.25603	0.9
84.96037	4.4
85.02888	1.9
90.58378	0.9
96.89838	0.9
98.97565	100.0
104.87663	0.9
105.70438	0.8
110.97537	14.2
112.99111	2.9
116.98601	44.2
119.01897	1.6
124.99001	0.9
127.00627	1.6
128.05013	1.4
128.98592	15.7
129.02240	2.2
131.00124	3.6
134.99632	13.3
136.06206	1.9
140.00214	1.3
140.98547	2.2
143.00128	2.9
144.98064	2.0
145.01678	2.7
146.05984	12.6
146.99657	7.6
147.03267	6.4
149.01181	1.8
152.06923	1.1
152.98578	3.4
158.98354	1.8
158.99634	31.2
159.00935	1.7
161.01263	4.5
162.99095	1.7
163.02730	2.0
165.04344	5.9
170.99590	4.9
171.03198	1.0
173.07062	2.5
173.08580	0.8
177.00671	28.4
177.04216	1.0
184.07555	1.1
188.07040	1.5
189.00652	4.0
189.04272	6.7
190.04913	1.3
193.03806	1.2
195.01733	3.1
195.05255	1.7
201.00662	2.7
201.06573	4.1
207.05409	2.5
212.06963	1.6
219.01743	26.0
219.05313	2.5
219.07570	8.0
231.05302	2.3
237.02766	39.1
243.05276	2.1
249.06422	1.7
255.03801	2.7
291.07431	34.4
292.07660	1.4
309.08508	74.0
310.08807	3.1
328.05350	1.2
332.10168	2.2
351.09866	45.4
352.10092	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	351.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42646	0.5
55.01883	0.5
56.63071	0.5
57.03419	1.0
61.93388	0.5
69.03414	2.3
69.78821	1.2
76.68336	0.5
84.08125	0.8
85.02899	7.0
97.02882	1.9
109.02864	0.8
117.03399	1.0
119.08524	0.7
123.04418	0.8
127.03902	1.6
133.06494	0.7
145.02812	1.5
147.04399	1.0
160.05154	5.2
161.05942	3.9
174.06737	1.0
175.11911	0.7
177.05487	1.9
189.09074	10.7
210.97476	0.5
333.14783	0.7
351.10452	100.0
352.10791	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	351.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.5
69.03410	2.4
70.06583	0.6
71.42819	0.4
81.03398	1.1
85.02895	6.0
91.05479	0.6
97.02871	1.3
99.04489	0.5
109.02871	0.8
116.07095	0.5
119.08559	0.6
127.03884	1.3
132.05678	0.5
133.70351	0.5
143.08476	0.6
145.02814	1.1
145.04924	0.5
147.04419	0.6
157.13698	0.5
160.05167	4.5
161.05969	3.5
161.09586	0.6
170.06287	0.5
171.06706	0.7
174.06630	0.7
177.05435	2.3
185.04222	0.5
189.05312	0.8
189.09100	11.2
201.08974	0.7
333.14554	0.7
351.10446	100.0
352.10788	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	351.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.6
57.03431	3.5
59.15763	1.7
61.02909	3.6
67.28182	2.0
69.03417	13.4
69.66019	7.5
70.06564	4.9
71.04951	2.1
73.02921	2.2
79.05460	2.7
81.03419	3.9
83.80315	1.7
85.02892	60.9
87.04436	2.5
91.05455	5.2
97.02850	7.9
99.04439	2.4
105.07030	2.0
107.04887	2.1
109.02834	7.7
115.03843	2.3
115.05431	4.5
117.03394	5.7
117.06970	2.2
119.08537	3.0
123.04431	4.6
127.03911	12.1
128.06186	5.2
131.08438	2.0
133.06480	3.6
143.08560	5.6
145.02846	17.1
145.04907	4.7
147.04347	2.4
149.05917	5.7
158.09326	1.9
160.05174	44.0
161.05957	32.2
161.09605	5.1
173.05940	2.3
174.06743	11.7
175.07512	2.6
175.11902	6.1
177.05444	21.9
185.04256	2.6
185.05939	2.5
187.07433	2.2
189.09079	83.4
201.09245	2.0
211.07541	2.3
213.09050	6.6
225.09091	2.6
269.08664	1.8
292.84998	1.7
351.10428	100.0
351.16623	14.3
352.10898	9.2
371.61993	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01862	3.9
57.03426	4.9
61.02913	4.1
67.05476	1.5
68.99796	0.9
69.03416	17.2
69.55827	3.7
70.06584	1.5
71.04971	1.4
73.02896	1.6
79.05473	2.2
81.03404	6.8
85.02889	68.9
87.04453	1.3
91.03947	1.1
91.05450	3.0
92.61629	0.9
93.07039	0.9
95.05000	1.2
97.02866	15.3
99.04446	3.5
101.02325	0.9
103.03942	1.6
105.07024	4.2
107.04962	2.3
109.02856	8.0
115.03901	1.1
115.05443	4.0
117.07056	1.9
119.04949	1.5
119.08566	4.2
123.04401	3.0
127.03893	13.3
128.06198	3.0
129.06949	1.2
131.04964	1.4
132.04460	2.2
132.05701	1.7
133.06467	4.5
133.10126	1.1
134.05984	1.4
143.08537	5.9
145.02835	2.7
145.04944	4.1
145.06482	1.3
145.10112	1.0
146.07225	1.0
147.03253	1.6
147.04398	9.9
148.05110	2.1
149.05933	3.2
160.03833	1.4
160.05174	40.8
161.05952	42.2
161.09593	3.8
162.05461	3.0
164.07068	1.7
171.08035	2.6
173.05946	1.0
174.06738	14.1
175.02620	8.5
175.03909	1.2
175.07565	1.7
176.03474	1.7
177.05403	4.9
184.05254	1.1
185.06026	2.0
187.07521	3.6
189.05441	32.6
189.09067	100.0
190.04924	39.8
190.09409	4.4
199.84908	0.9
200.09500	1.5
201.09129	2.0
208.06024	7.7
213.09128	2.8
225.09125	2.0
231.10123	1.3
237.09193	1.4
239.76361	1.3
255.10129	2.8
333.10587	1.3
333.14481	1.7
351.10431	2.8
351.15417	8.2
352.10123	5.4
372.09717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
56.04995	0.7
60.81058	0.4
69.03412	0.5
70.46704	0.9
81.16369	0.5
84.04444	0.5
85.02908	1.0
86.09684	1.7
86.96177	0.4
87.10019	0.5
91.05474	0.6
97.02903	0.5
100.01039	0.4
105.07039	0.6
107.04949	0.6
119.08489	0.7
120.08044	0.8
121.06495	0.6
128.06094	0.5
130.04973	1.5
130.25635	0.5
147.04390	1.7
148.05161	1.2
160.05159	3.6
161.05962	4.4
161.09589	0.6
173.10666	0.6
174.06827	1.1
175.08698	0.9
185.10753	0.4
189.09058	12.7
190.09358	0.6
199.08669	3.5
200.09427	7.4
201.10199	11.2
201.11972	0.4
202.10835	0.9
212.09547	0.6
213.10202	8.9
214.10938	5.3
215.11772	19.7
216.12354	1.7
217.09743	2.1
219.11258	8.9
220.11607	0.6
226.10886	3.1
227.08206	1.4
227.11736	1.2
228.08929	1.3
228.12509	3.5
231.11217	2.7
232.12061	0.9
241.09720	2.7
241.13332	4.7
242.10463	12.7
242.13022	0.6
243.11163	2.8
245.09187	0.8
248.14030	0.5
253.13197	0.5
254.10406	0.9
255.11214	0.8
256.12018	3.9
259.10834	3.2
260.11551	4.4
261.12088	1.3
269.12750	4.9
270.13489	1.0
272.11459	1.0
274.13171	0.7
277.11771	2.9
278.12192	0.7
282.09995	1.0
287.13870	2.6
288.09946	0.7
289.15424	0.5
297.12262	7.5
298.12512	0.6
300.11017	4.2
315.09677	0.9
315.13330	18.6
316.13791	1.2
333.14465	19.3
333.18045	1.6
334.14743	0.8
351.15454	100.0
351.19019	4.7
352.15741	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	351.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.3
57.03444	3.1
67.05495	11.0
69.07069	6.4
69.18505	15.6
73.08388	2.3
79.05479	6.9
81.07046	6.2
91.05495	7.3
93.07039	5.5
95.05022	4.7
95.08595	7.5
105.07037	6.5
107.08610	3.4
119.08588	4.2
123.08107	5.1
133.10141	3.1
147.11639	3.3
161.13121	4.6
171.83534	2.6
173.54842	2.6
175.14818	3.9
241.19373	3.4
259.20520	3.6
351.15659	100.0
351.24951	6.4
352.15973	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	351.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29898	1.4
55.05497	2.5
56.34793	1.8
62.08092	1.5
67.05490	10.7
69.07043	2.5
70.92165	2.2
71.04964	1.8
71.08621	2.1
79.05501	9.7
80.84772	1.6
80.94836	1.7
81.07030	6.4
91.05468	4.5
93.07024	9.4
95.04971	3.1
95.07784	1.8
95.08576	4.0
99.08030	3.0
103.26040	2.2
105.07028	6.1
107.08598	6.5
107.26533	1.7
109.10127	1.8
117.61602	1.5
119.08588	6.2
121.10143	3.9
129.07054	1.6
131.08514	1.7
133.10123	3.8
135.11664	5.6
145.10120	4.5
147.11679	4.4
149.13214	2.9
159.11676	3.2
161.13232	2.7
163.14853	1.8
171.11647	2.0
172.11897	2.0
173.13158	2.5
175.14806	2.4
192.16473	2.1
241.19423	2.3
259.20560	13.3
277.21353	2.2
322.02814	1.6
333.20367	5.7
351.17615	99.4
351.21405	100.0
351.24973	8.0
352.17950	5.7
352.21771	4.3
361.64404	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54510	0.6
55.05489	0.8
65.51477	0.6
67.05503	1.4
69.07046	1.1
70.07660	0.6
71.44408	0.7
76.24728	0.6
79.05480	1.7
81.07031	2.1
84.04489	1.0
85.06521	0.9
91.05461	1.7
93.07019	2.6
95.08598	1.3
97.06529	0.9
105.07023	2.2
107.08586	1.2
109.00080	0.6
117.06994	0.7
119.08568	1.2
121.10061	0.9
131.08505	0.8
133.10114	1.4
137.05936	1.4
139.03644	9.6
147.11652	0.9
150.60649	0.7
163.11136	0.8
176.96950	0.6
177.04794	0.6
192.10182	1.1
194.83920	0.7
235.13029	9.3
236.13135	0.8
259.20517	0.8
261.48816	0.7
277.32379	0.6
333.16635	1.2
333.20145	0.9
351.17709	100.0
351.21344	7.1
352.12195	0.9
352.14069	0.9
352.17932	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	351.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01861	7.2
55.05498	1.8
57.03419	1.6
57.07063	2.6
61.02908	0.7
62.72720	0.5
64.61620	0.6
67.05502	2.6
69.03407	1.7
69.07063	4.5
71.01338	0.6
71.04998	2.7
73.02891	1.5
79.05481	2.7
81.03403	2.3
81.07046	4.7
83.04959	0.6
83.08608	0.6
85.02876	1.7
85.06520	1.0
89.06030	1.6
91.05464	16.4
93.07024	3.0
94.13245	0.6
95.04945	1.3
95.08597	3.8
97.02873	4.7
97.06514	9.6
98.23443	2.0
99.04445	1.9
101.02365	0.8
105.07018	1.1
109.06479	1.5
109.10142	0.5
111.08055	3.1
115.07552	2.1
117.06999	1.6
119.08527	0.6
122.00972	0.5
123.04405	1.1
123.08028	2.0
125.05968	1.8
127.03883	2.4
127.07539	6.6
131.51244	0.6
137.09593	2.2
139.07509	2.0
141.09074	1.0
141.49165	0.5
143.07021	0.7
147.08026	100.0
147.09079	6.0
148.08372	3.7
151.07526	3.7
151.09608	1.0
158.20442	0.6
165.09047	2.7
169.08575	6.0
187.09615	1.0
233.80498	0.6
306.07550	1.1
333.16916	1.5
335.29178	0.8
351.24750	1.4
352.11774	0.8
352.25055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2136
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
62.11390	0.6
70.06181	1.3
75.51645	0.5
80.94331	0.6
103.77374	0.6
146.82228	0.6
147.35938	0.5
333.20441	0.9
351.21356	100.0
352.21719	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	351.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67528	0.4
55.83629	0.5
56.96547	0.9
67.93214	0.4
69.78330	0.8
69.78690	0.7
78.50439	0.4
89.69075	0.4
112.96519	0.3
119.95436	0.4
146.51131	0.4
177.69980	0.4
235.12962	0.4
241.11137	1.1
253.11090	2.2
259.12180	1.1
271.12091	3.0
273.88370	0.4
289.13120	0.3
306.07663	0.6
351.21356	100.0
352.11658	0.5
352.21674	6.5
352.25549	0.6
374.46161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
59.11188	0.4
69.15292	0.9
69.15700	1.9
75.35245	0.4
77.37825	0.5
78.39608	0.5
83.08626	0.5
95.26796	0.5
100.20340	0.4
114.29145	0.4
281.13513	0.5
333.20361	2.6
351.21347	100.0
352.21555	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	351.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89460	0.5
55.05480	0.8
57.03419	0.6
60.04515	1.3
67.05495	2.2
69.07023	0.6
69.43603	2.4
78.98559	0.4
79.05496	1.2
81.03352	0.5
81.07051	1.3
88.73617	0.5
91.05470	1.1
93.07060	1.2
95.04955	0.5
95.08594	1.1
105.07023	1.3
107.08582	1.2
108.88355	0.5
109.10156	0.7
131.08510	0.5
219.47629	0.5
276.07773	0.7
277.21686	1.1
293.07922	0.5
319.09564	1.0
324.03693	0.6
333.20340	1.0
347.21503	0.5
351.12299	2.0
351.21381	100.0
352.21683	8.4
352.25583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01854	8.0
55.05501	11.3
56.96551	1.3
57.03428	8.2
67.05496	22.5
69.07064	10.1
69.40977	4.8
71.04994	1.7
71.08619	2.3
79.04774	1.2
79.05479	27.3
81.07045	53.6
82.07368	1.6
83.04966	2.7
83.08581	5.2
85.06532	1.9
85.25419	1.1
91.05477	18.4
93.07033	27.8
94.36432	1.1
95.04950	4.5
95.08588	20.5
97.06551	3.3
97.10170	2.1
99.08084	2.8
100.83760	1.2
105.04475	1.4
105.06998	17.2
107.08586	16.8
109.06497	13.0
109.10103	5.7
111.04427	15.3
111.08080	1.6
113.05939	1.1
117.07013	5.2
119.08562	20.6
121.06520	1.6
121.10124	13.9
123.08084	2.3
123.11712	3.1
125.06020	4.3
125.09605	1.5
129.07004	3.5
131.08531	7.8
133.10094	16.5
135.08003	2.0
135.11682	13.1
137.05957	100.0
137.09581	1.8
137.13260	3.0
138.06288	2.4
138.22694	1.1
143.08586	4.1
145.10068	7.1
147.11659	17.8
149.09538	6.0
149.13245	7.7
151.07544	2.8
151.11156	1.5
157.10147	3.5
159.11682	6.3
161.09599	5.5
161.13245	14.6
163.11165	5.8
163.14819	3.5
165.09090	1.4
165.12735	2.1
171.11722	3.9
173.13239	3.8
175.11179	4.6
175.14819	8.1
177.12753	2.4
179.10774	1.1
179.14326	2.5
180.07532	1.1
181.12227	1.4
185.13228	4.0
189.12668	3.1
193.12155	1.7
199.14847	2.4
203.14247	1.3
203.18001	4.6
213.16429	3.5
221.19089	2.1
231.17406	11.0
231.21040	1.8
241.19472	9.0
249.18489	12.3
259.20569	21.4
260.20847	1.1
271.11539	1.1
273.62653	1.1
277.17953	38.4
277.21530	3.9
278.18362	1.4
295.18991	7.7
333.24316	1.3
351.18170	1.7
351.21552	6.3
351.25235	19.9
352.25534	3.1
362.60223	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.05502	16.7
57.02966	1.2
57.03431	8.4
57.07066	3.1
57.64056	1.1
59.14325	1.2
65.03941	1.8
65.39443	1.2
67.05496	37.5
69.07055	14.5
69.41071	3.9
69.41466	1.8
71.04984	2.8
75.04453	1.9
77.03926	1.8
77.47663	1.3
79.05482	52.2
80.05828	1.3
81.07047	43.9
82.07369	1.3
83.04955	1.8
83.08607	5.8
85.06528	3.7
91.05464	44.0
91.46106	1.3
92.05809	1.4
93.07031	70.4
95.04971	6.7
95.08589	29.5
97.06539	2.6
97.10151	1.8
99.08075	3.7
103.05479	2.0
105.04514	3.6
105.07018	50.9
106.07372	1.5
107.08578	40.7
109.06560	1.6
109.10137	11.8
114.26592	1.3
117.07005	9.2
119.08568	46.0
121.10126	31.1
123.11683	2.9
129.06949	6.7
131.08548	20.8
133.10115	40.3
135.08076	1.5
135.11671	32.2
135.12630	2.3
137.09631	1.9
138.14189	1.3
141.07019	1.6
142.07828	1.7
143.08569	7.5
145.10110	19.7
147.11662	38.0
148.12083	1.4
149.09595	3.5
149.13226	20.0
151.11208	2.5
157.10129	8.9
159.11687	17.5
161.09601	1.9
161.13234	31.2
163.11205	2.6
163.14824	5.5
171.11655	12.3
173.13232	9.6
175.11160	1.2
175.14775	16.5
177.12733	2.7
185.13280	10.0
187.03638	7.1
187.14810	3.4
188.06828	5.3
189.12787	1.9
199.14799	5.5
203.14334	1.5
213.16399	4.6
215.17894	1.6
217.19518	1.9
231.17464	1.9
231.21007	7.5
241.19475	29.2
242.19843	1.5
253.14069	6.5
259.20535	81.7
260.20840	4.2
277.21625	10.1
333.24063	6.4
351.21335	100.0
351.25299	44.8
351.30106	2.2
352.11493	2.1
352.21671	7.3
352.25449	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
55.01866	4.6
55.05503	20.6
57.03432	10.6
57.07052	2.5
64.86749	2.1
67.05496	46.8
69.07065	19.2
69.15354	4.1
69.15765	12.8
71.04977	6.5
71.08620	4.1
72.43118	2.0
73.85587	1.9
75.04491	3.0
79.05035	4.7
79.05482	67.7
81.07046	62.8
83.04977	2.8
83.08604	13.2
85.06532	5.4
85.89585	2.2
88.09804	2.0
91.04939	1.7
91.05466	47.9
91.05987	4.2
93.07032	98.8
94.07362	4.9
95.04955	10.6
95.08587	44.5
97.10159	3.9
98.22697	4.7
99.08065	4.9
99.46270	2.0
105.04510	3.2
105.07011	55.7
107.08575	56.5
109.06510	4.7
109.10149	12.8
111.08093	2.3
113.09634	3.2
117.07001	12.2
119.08575	51.0
121.10134	44.9
122.10458	2.0
123.08040	2.2
123.11720	3.7
125.09573	3.2
129.06985	9.2
131.08539	25.0
133.07880	2.4
133.10097	45.9
133.11009	3.3
135.11676	53.3
137.05927	3.4
143.08556	8.5
145.10106	26.3
147.11668	48.5
149.09584	3.2
149.13232	28.2
150.95251	2.1
157.10110	7.7
159.11682	21.2
161.13245	36.8
163.11092	3.4
163.14801	7.7
171.11655	14.5
173.13242	13.2
175.11264	3.2
175.14790	18.8
177.12747	4.3
185.13261	12.8
187.14772	3.2
199.14731	10.0
213.16449	5.3
215.17894	3.0
217.19534	3.1
231.21031	7.6
241.19492	34.2
245.59114	2.3
259.20544	100.0
260.20871	7.0
260.92307	2.1
277.21552	17.3
333.24127	10.1
351.21362	5.0
351.25217	65.8
352.25519	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
53.03942	3.0
55.01868	4.3
55.05503	17.9
57.03434	7.1
57.07074	3.6
67.05495	39.5
69.07053	14.2
69.09263	3.2
69.09663	7.0
71.04995	2.4
75.04488	2.5
79.05482	55.4
80.05816	1.4
81.07046	59.7
83.04975	2.5
83.08604	7.6
85.06523	3.9
85.44028	1.5
91.05468	43.1
93.07030	72.7
95.04952	7.2
95.08589	38.8
97.06523	3.1
97.10167	2.4
99.08072	2.5
105.04531	2.8
105.07018	50.1
107.08584	40.2
109.06510	8.0
109.10152	11.4
111.04411	7.7
111.08055	2.7
115.05492	1.7
117.06993	8.1
119.08572	39.6
120.08910	1.6
121.06468	1.9
121.10125	41.1
121.10963	2.5
122.10412	1.9
123.08050	3.2
123.11693	5.4
125.05978	2.1
125.09680	1.8
129.06963	8.5
131.08551	16.9
133.10106	40.0
135.08076	3.6
135.11678	34.4
137.05966	43.8
138.06253	2.3
143.08572	7.2
145.10117	19.7
147.11662	41.2
149.09612	2.5
149.13246	21.0
151.11133	3.2
157.10129	7.0
159.11665	14.9
161.09682	3.9
161.13245	28.9
161.14491	2.0
163.11263	3.9
163.14807	6.6
171.10402	1.9
171.11636	8.5
173.13214	9.6
175.11237	3.3
175.14821	13.0
177.12762	2.3
177.16422	1.6
179.10736	1.6
185.13197	8.8
187.14833	2.0
189.12810	2.0
199.14848	6.5
203.14386	1.7
203.17883	2.9
213.16389	4.0
217.19568	4.9
220.54774	1.8
231.17458	4.4
231.21083	6.6
241.19492	25.2
249.18581	6.9
259.20563	76.2
260.20956	5.6
277.17993	18.5
277.21619	12.4
295.19067	4.4
333.20389	7.7
333.24350	6.8
351.21353	100.0
351.25311	46.9
352.11823	2.8
352.21738	5.8
352.25522	3.5
356.30231	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01852	2.9
55.05500	24.8
57.03426	9.4
57.07063	3.8
60.31157	1.9
61.67971	1.7
65.03948	2.4
65.38029	1.7
67.05493	57.1
69.07047	18.7
69.58483	4.7
69.58830	3.6
71.04981	4.7
71.08590	2.1
71.78688	1.9
74.98455	1.6
79.05479	78.3
81.07043	63.4
83.08608	10.6
85.06516	5.5
91.05464	62.8
92.05790	2.9
93.07030	90.4
94.07362	2.0
95.04964	10.8
95.08588	40.9
97.06512	5.1
97.10146	5.6
98.23434	1.9
99.08083	7.8
105.04482	1.7
105.07011	61.2
107.08575	59.0
109.06492	5.9
109.10141	16.6
117.07037	13.7
119.08555	55.3
120.08907	2.8
121.10130	43.2
122.10482	2.2
123.11655	5.5
125.09634	3.9
129.06982	7.9
131.08528	22.3
133.09163	3.9
133.10106	48.1
135.08032	2.3
135.11662	44.2
137.02065	2.5
137.05948	12.8
137.09555	4.0
137.13147	2.2
143.08548	8.6
145.10075	20.4
147.11665	51.3
149.09583	2.7
149.13228	30.2
157.10101	11.6
159.11653	21.0
161.09610	3.6
161.13232	42.7
163.11148	6.2
163.14827	8.8
169.10268	2.0
171.11687	15.6
173.13237	10.1
175.11128	4.5
175.14809	18.6
177.12741	3.4
179.14232	2.1
185.13194	14.5
187.14845	4.9
189.12714	3.3
199.14816	8.6
201.16339	2.3
213.16286	4.5
215.18051	2.6
217.19539	5.8
231.17384	2.8
231.20979	9.3
237.14619	11.4
241.19493	38.3
259.00592	2.0
259.20547	100.0
260.20944	6.3
277.18002	5.0
277.21582	16.8
287.39728	1.8
306.07605	2.9
333.20306	9.2
333.24133	9.2
351.17642	45.3
351.21301	70.9
351.25238	73.9
352.11655	4.0
352.17963	3.0
352.21597	4.4
352.25381	5.9
369.31003	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52699	1.6
53.03934	1.8
55.01853	2.1
55.05504	18.1
57.03428	9.2
57.07062	5.1
65.03912	2.3
67.05495	56.9
69.07055	18.7
70.17195	3.4
71.04988	3.5
75.04469	3.6
77.03914	2.7
79.05484	57.9
81.07047	65.2
83.04970	3.9
83.08614	9.1
85.06531	6.3
91.05466	63.9
91.06046	2.0
93.07033	77.4
94.07347	2.2
95.04964	6.6
95.08592	47.9
97.06516	5.3
97.10127	3.3
98.22775	2.1
99.08094	7.2
103.03940	1.5
105.04495	3.1
105.07013	54.2
107.08577	47.2
108.08956	1.5
109.06499	2.0
109.10136	20.0
111.08103	1.8
113.09634	3.4
117.07019	17.8
119.08561	57.0
120.08929	1.7
121.10126	47.2
123.08028	1.6
123.11681	8.5
129.05481	1.7
129.06970	13.2
130.07785	1.5
131.08551	21.2
133.10112	45.7
134.10451	2.0
135.07973	1.8
135.11678	31.8
137.09578	2.7
139.11172	1.6
142.07739	2.2
143.08514	13.2
145.10103	20.2
147.08067	2.2
147.10780	0.9
147.11665	40.8
149.09596	5.2
149.13222	23.4
157.10114	11.4
159.11674	19.9
161.09605	3.9
161.13235	65.1
162.13576	3.4
163.11168	3.9
163.14816	19.9
171.11661	17.7
173.13239	16.2
175.11177	5.3
175.14801	40.3
175.93428	1.7
176.15160	1.9
177.12689	6.0
177.16348	3.4
183.11636	1.7
185.13239	16.1
187.14798	5.1
189.12741	6.6
189.16365	3.9
199.14764	10.5
203.14261	4.9
207.13795	2.0
213.16394	2.8
215.17972	5.7
217.15755	1.9
217.19426	12.2
221.15472	1.9
231.17482	8.1
231.21008	15.3
235.17041	2.0
241.19478	51.5
242.19864	3.2
259.20538	100.0
260.20853	5.8
269.06049	1.6
277.21564	16.7
333.24179	10.3
351.25244	93.4
352.25589	6.6
367.84540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01865	2.7
55.05506	19.7
55.41771	1.8
56.93748	1.4
57.03418	11.4
57.07060	2.8
65.03923	2.0
67.05492	49.2
67.09112	1.5
69.07048	15.1
70.71970	2.9
71.04982	4.0
71.08598	1.8
71.16487	1.7
75.04465	2.7
77.03938	3.0
79.05482	78.0
81.07047	53.9
83.04983	2.2
83.08609	5.1
85.06513	3.5
91.05466	56.0
93.07034	95.1
94.07404	2.8
95.04957	12.2
95.08595	43.0
97.06535	3.7
97.10165	2.0
99.08097	3.8
105.04460	1.7
105.07012	54.5
107.08582	53.0
109.06495	2.0
109.10151	12.2
111.08099	1.8
113.09566	1.8
116.06174	1.7
117.06995	11.6
119.08567	56.4
120.08931	1.9
121.10132	38.4
122.10469	2.0
123.08041	2.3
123.11698	2.4
128.06203	2.0
129.06976	8.4
131.08540	24.2
133.10114	50.9
135.11678	41.4
137.77286	1.9
143.08527	11.4
145.10118	20.8
147.11670	47.5
149.09584	2.7
149.13239	25.4
151.11232	3.2
157.10097	10.9
159.11682	18.9
161.13234	38.6
162.13670	2.2
163.11182	4.6
163.14793	10.5
171.11655	14.6
173.13239	8.8
175.11134	2.4
175.14812	16.5
177.12709	3.4
185.13188	12.6
186.65984	1.7
187.14851	3.2
199.14818	5.8
203.14308	4.3
205.05197	1.7
213.16344	3.7
217.19519	4.1
231.17619	2.7
231.21043	7.1
239.14728	2.0
241.19478	32.9
242.19843	3.6
259.20544	100.0
260.20792	5.1
277.21640	14.2
283.09705	1.7
313.63181	2.2
333.24213	8.0
351.18356	5.9
351.25247	73.4
352.25565	5.2
369.19299	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.8
55.01855	8.1
55.05505	29.6
57.03432	49.8
57.07064	10.9
59.04974	2.7
65.03930	3.4
67.05495	76.9
69.07056	22.9
69.54297	9.5
71.04975	5.7
71.08626	30.0
79.05477	80.9
80.05797	2.8
81.03408	7.2
81.07043	90.5
83.04962	9.0
83.08598	19.7
85.06535	10.8
85.10172	6.8
91.05463	69.6
92.05857	2.3
93.07036	100.0
94.07350	2.4
95.04964	13.6
95.08591	68.2
97.06519	9.9
97.10179	4.9
99.08073	21.3
105.04524	3.4
105.07018	52.4
107.04939	3.6
107.08581	61.7
107.09187	2.1
109.06518	4.1
109.10136	20.8
111.08067	7.2
113.09611	9.7
117.07002	11.0
119.08568	50.6
121.10134	45.9
123.08052	4.4
123.11684	7.7
125.09615	4.5
129.06958	8.7
131.08546	28.1
133.10110	39.6
135.11673	49.8
136.63045	2.8
137.09595	5.0
143.08514	5.7
145.10085	20.5
147.11664	45.4
149.09627	5.5
149.13242	25.2
151.11185	14.1
151.59821	2.3
153.12628	2.7
157.10095	9.7
159.11658	18.8
161.13245	28.2
163.11165	4.4
163.14777	6.1
165.12729	4.4
171.11639	9.5
173.13243	10.5
175.14767	12.8
177.12691	3.0
179.14304	42.1
185.13258	10.0
187.14804	10.4
189.12737	3.4
199.14786	7.2
213.16280	5.1
221.19087	3.1
231.20969	5.8
235.16901	2.7
241.19485	19.5
248.10300	2.5
249.46590	2.8
259.20563	59.0
260.20880	6.8
277.21606	34.7
289.27234	2.4
293.07413	2.7
308.02472	2.5
335.94489	2.7
351.25259	72.6
352.25494	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52009	1.5
53.03937	3.0
55.05502	23.1
56.96561	3.0
57.03433	7.8
57.07066	7.1
63.81102	1.7
66.07119	1.8
66.46848	1.6
67.05495	57.6
68.05819	1.7
69.07059	18.0
69.92714	4.1
71.04986	4.7
71.08633	3.4
75.04460	2.4
77.03943	2.9
79.05480	70.8
81.07046	58.6
83.04971	3.9
83.08610	5.7
85.06551	7.9
91.05468	79.5
93.07031	84.4
95.04970	10.2
95.08588	42.6
97.06514	5.1
97.10158	2.6
99.08077	4.9
105.04497	2.1
105.07014	74.2
107.08578	56.3
109.06484	3.5
109.10140	16.3
113.09643	2.3
115.05377	2.0
117.07004	17.3
119.08562	82.0
121.10129	35.7
123.08069	2.6
123.11706	5.0
128.06201	3.0
129.05496	3.4
129.07001	17.2
131.08565	30.2
133.10106	52.8
134.10420	2.8
135.08028	3.8
135.11679	31.2
137.09599	2.4
142.07803	2.1
143.08534	14.2
145.10106	25.6
147.08038	2.5
147.11667	51.5
149.09599	3.9
149.13240	22.6
157.10121	16.1
159.11659	20.7
161.09622	2.8
161.13229	52.8
161.14503	3.4
163.11153	2.2
163.14787	12.3
171.11642	26.1
173.13245	12.9
175.11139	8.1
175.14792	40.2
177.12694	3.7
177.16356	3.0
185.13268	23.6
187.14874	4.4
189.12727	5.8
189.16357	1.9
191.14278	3.4
193.12383	2.0
199.14809	8.2
203.14314	3.8
205.04871	3.2
213.16379	6.4
215.17906	3.9
217.15944	3.0
217.19458	19.9
231.17485	4.8
231.21066	14.5
241.19484	47.5
242.19879	2.9
259.20547	100.0
260.20999	4.0
277.21628	13.8
333.24310	6.1
351.18570	4.0
351.25232	52.8
352.25400	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98652	2.1
53.03934	2.7
54.59979	2.0
55.01849	4.8
55.05503	31.6
57.03429	55.3
57.07060	5.7
61.01671	1.8
62.62101	1.9
66.18475	1.7
67.05494	73.9
68.05833	2.7
69.07059	25.4
69.47707	8.6
71.04955	4.8
77.03909	2.4
79.05482	77.8
81.07045	88.6
83.04967	5.0
83.08607	20.2
85.06522	8.9
91.05466	60.2
93.07032	100.0
95.04945	13.4
95.08592	68.9
97.06518	5.8
97.10148	5.7
99.08080	8.8
105.04510	3.2
105.07017	59.1
107.08573	66.1
109.06506	5.9
109.10133	25.7
111.08031	6.3
113.09644	2.7
114.98767	2.4
115.05420	2.8
116.73885	2.0
117.06972	14.1
119.08564	49.2
121.10130	48.7
123.08070	5.8
123.11641	7.3
125.09676	3.1
129.06985	8.8
131.08551	21.8
133.09171	3.4
133.10107	43.6
133.21294	2.3
135.11673	46.8
137.09599	4.7
139.11148	3.0
143.08534	7.5
145.10109	23.4
147.11667	43.5
149.09593	3.8
149.13235	27.5
151.11189	5.0
157.10106	7.7
159.11659	25.9
161.13214	29.7
163.11153	3.8
163.14775	7.6
165.12711	3.1
171.11661	10.7
173.13275	11.7
175.11209	3.5
175.13499	2.1
175.14738	11.0
185.13252	10.0
187.14757	12.9
189.16321	2.2
199.14833	5.0
203.14349	2.1
205.15877	5.7
213.16316	4.2
217.19385	2.7
221.18874	6.1
231.20967	6.0
241.19458	24.9
259.20514	70.0
260.20920	5.8
277.21558	25.7
282.70413	2.6
333.24200	4.3
351.21750	3.0
351.25195	81.9
352.25604	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85955	2.3
51.82058	2.1
52.16082	2.0
53.03941	3.2
55.05505	21.5
57.03431	3.8
57.07069	11.1
57.41726	2.4
67.05154	5.0
67.05494	54.3
69.07071	14.6
71.04985	5.7
71.08625	7.2
72.44700	2.1
75.04503	3.9
77.03905	3.1
79.05482	52.0
81.07053	46.2
83.08606	5.7
85.06536	7.6
85.10150	3.8
89.28557	2.6
91.05469	100.0
91.38859	2.3
93.07034	60.1
95.04959	7.1
95.08594	37.6
97.06535	5.5
97.10174	3.5
99.08083	7.8
105.07019	76.0
107.08580	27.6
109.06541	4.2
109.10136	12.2
111.08073	2.4
113.09702	2.1
115.05454	3.6
117.07019	23.3
119.08561	86.0
121.10126	23.4
121.79045	2.2
123.11703	5.5
128.06140	3.6
129.06995	25.7
131.08543	32.5
133.10115	52.8
135.11678	13.5
142.07823	3.0
143.08540	19.5
145.10085	20.3
147.08066	4.7
147.11656	34.7
149.09660	3.5
149.13226	8.9
157.10092	19.4
159.11676	18.8
161.09648	7.6
161.13235	59.2
161.14523	4.9
162.13580	3.2
163.11115	4.3
163.14798	10.8
165.12691	2.4
171.11688	36.1
173.13225	16.0
175.11212	11.9
175.14810	59.5
176.15141	3.5
177.12718	3.5
177.16386	3.9
185.13213	26.1
187.14784	5.3
189.12802	7.4
189.16348	5.3
199.14815	10.6
213.16403	3.0
215.17981	7.6
217.19466	31.9
218.19855	2.5
231.17383	4.1
231.21010	26.0
241.19466	62.7
259.20535	98.8
260.20966	6.2
277.21542	4.3
351.25220	52.8
352.25711	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87563	3.0
53.03933	8.0
55.01859	6.6
55.05503	34.9
57.03428	23.1
57.07056	6.6
57.84158	2.8
65.03928	2.5
67.05495	100.0
69.07059	30.6
70.39195	5.2
71.04982	5.3
71.08624	90.1
72.08946	2.6
75.33365	2.7
79.05478	73.5
81.03415	14.6
81.07044	76.0
83.04973	13.0
83.08614	15.2
85.06527	6.1
87.08893	2.9
91.04938	3.5
91.05470	46.4
93.07034	67.5
95.04970	18.4
95.08591	48.0
97.06506	10.3
97.10149	10.6
99.08086	73.7
105.07017	36.6
107.04928	5.4
107.08578	38.0
109.06498	10.3
109.10141	25.3
111.08047	6.7
113.09596	3.3
117.06998	10.7
118.36427	2.7
119.08562	26.7
121.10118	27.7
123.11703	6.0
125.09587	4.2
129.07002	6.0
131.08553	10.6
133.10101	22.9
135.08078	3.2
135.11670	25.4
137.09587	2.7
143.08505	7.6
145.10121	17.2
147.11682	17.9
149.09595	3.9
149.13229	13.8
151.11159	36.1
151.14690	2.8
153.12791	3.5
157.10094	5.3
159.11659	6.8
161.13231	23.8
163.11183	17.2
163.14809	4.7
165.12758	5.5
171.11659	10.5
173.11775	3.9
173.13257	6.4
175.14774	8.3
177.12686	4.8
179.14278	21.6
185.13246	9.9
193.12192	2.9
199.14836	3.0
203.14320	3.7
217.19505	5.9
221.15346	3.8
235.16763	3.9
241.19504	12.5
259.20538	26.4
277.21594	55.7
278.22028	4.5
351.11993	7.9
351.21387	4.3
351.25204	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.5
55.04585	3.1
55.05504	26.7
57.03435	27.8
57.07062	10.5
67.05495	63.4
69.07057	30.5
69.52357	14.5
69.52687	4.0
70.62904	3.2
71.04989	8.4
71.08622	100.0
79.05480	54.4
81.07049	66.9
83.04966	6.3
83.08609	12.5
85.06533	6.4
91.05460	62.1
93.07035	66.0
95.04948	11.3
95.08595	45.1
96.26781	3.6
97.06503	10.2
99.08084	81.2
103.03908	4.7
105.07016	49.3
107.08572	28.7
109.10143	10.7
111.08089	5.6
113.09628	4.2
117.07021	16.1
119.08560	42.0
121.06477	3.1
121.10132	22.8
123.08064	10.4
125.09559	4.1
129.05473	5.1
129.06972	9.9
131.08565	7.9
133.10098	28.0
134.91714	3.4
135.08002	6.0
135.11676	25.0
139.11073	3.3
143.08563	10.5
145.10115	25.8
147.11639	20.3
149.13252	9.9
151.11154	9.4
153.12590	3.4
157.10136	13.1
159.11685	7.3
161.09624	5.6
161.13228	32.1
163.11171	12.1
163.14876	5.8
171.11678	14.3
173.13239	7.2
175.11212	7.4
175.14842	22.5
177.16290	4.7
178.07822	3.5
179.10950	3.0
179.14299	15.2
185.13286	10.4
189.12749	6.6
206.37015	3.4
215.17937	5.1
217.19427	19.1
231.21091	11.1
232.21361	3.5
241.19485	25.5
259.20575	58.0
277.21671	21.5
281.31299	3.4
333.24002	8.0
351.25238	68.7
352.25385	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
53.96467	2.2
55.01853	3.7
55.05502	17.3
57.03422	6.8
57.07061	4.7
57.87114	2.5
61.21016	2.0
63.78312	2.2
67.05161	4.0
67.05496	58.8
69.07058	18.6
70.49318	4.7
71.04971	3.9
71.08622	33.0
76.69442	2.3
79.05482	32.9
81.03394	8.5
81.07049	53.3
83.04957	6.4
83.08594	7.8
85.06526	4.1
91.05474	29.1
93.07030	33.6
95.04964	11.3
95.08595	29.6
97.06509	5.7
97.10142	7.6
99.08079	23.9
105.07020	23.2
107.05012	2.8
107.08566	26.3
109.06506	6.0
109.10131	15.9
111.08070	3.1
117.06985	7.8
119.08556	21.4
121.10123	13.7
123.11695	3.6
129.06993	2.7
131.08551	8.6
133.10100	16.5
135.11674	13.3
145.10103	10.1
147.11678	9.3
149.13251	9.8
151.11148	11.2
156.38499	2.6
157.10162	3.9
159.11659	13.7
161.09653	2.3
161.13252	15.4
163.11139	9.4
163.14772	4.3
171.11722	6.8
172.12201	2.1
173.11781	2.3
173.13246	6.4
175.14812	6.5
179.14275	11.5
185.13272	4.8
191.14305	2.5
213.16313	3.6
227.17902	3.9
231.21030	4.2
241.19481	9.7
255.20737	2.4
259.20508	12.7
263.01755	2.5
277.21548	22.3
322.92841	2.3
351.21310	100.0
351.25302	37.6
351.30386	17.4
352.21625	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	352.079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28603	10.3
52.98898	10.6
54.71519	11.2
69.61884	35.1
70.06593	14.9
77.08877	10.9
85.02873	14.1
98.14338	14.0
98.22695	22.6
98.97552	19.4
116.98602	14.5
120.08118	15.7
129.38390	12.4
134.05978	13.3
146.05991	100.0
188.07065	21.1
190.04948	35.0
190.14317	12.5
224.27155	12.3
237.02737	25.8
276.28659	12.0
352.07758	96.0
353.08356	78.3
353.12732	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	352.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93398	3.6
56.80724	3.7
56.96549	17.5
69.61475	5.6
69.61823	13.8
85.02850	4.9
91.70051	4.2
98.22741	7.2
98.97552	22.1
114.62228	4.1
116.98589	10.1
128.98596	7.3
156.12688	4.2
190.04955	4.8
208.02856	6.2
232.99599	6.1
237.02763	7.9
310.08850	8.0
352.07840	100.0
353.08292	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	352.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	14.8
62.99068	10.7
66.92870	10.3
70.48092	17.5
70.48421	15.7
73.80481	10.3
97.99732	11.5
110.01247	11.6
112.11496	13.7
136.94083	19.6
137.97102	14.5
190.98633	14.8
192.95555	13.4
206.26207	11.9
208.99641	22.4
232.99657	27.4
251.00806	20.8
352.07529	100.0
353.07886	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56464	1.7
55.01860	2.6
55.05508	2.5
57.03413	2.1
62.52522	1.6
64.96969	1.5
67.05496	7.3
70.92381	1.7
71.44412	1.7
79.05490	5.0
80.05828	2.0
81.07045	9.8
91.05455	5.4
93.07045	6.7
95.04966	2.8
95.08603	5.6
105.03377	10.1
105.07022	5.1
107.04955	4.6
107.08594	5.5
109.06461	2.6
109.10125	2.5
119.08537	3.1
121.10158	4.8
131.08551	3.8
133.02834	100.0
133.10059	3.7
134.03194	3.6
134.10484	2.1
135.11656	3.0
136.08374	1.9
137.05963	4.0
145.10194	1.9
147.11678	3.4
149.13210	3.5
161.13213	2.3
165.05472	23.2
172.01582	25.4
173.02376	12.9
186.03188	5.8
187.03912	16.6
188.04723	16.9
197.42513	1.8
216.79881	1.7
226.02620	7.9
241.19609	2.0
242.89772	1.7
259.20557	5.2
260.20950	2.7
292.07129	2.2
302.93118	2.1
306.07535	4.2
334.08441	1.9
351.25140	5.4
351.30099	1.6
352.11752	8.5
352.18781	4.0
352.25354	5.5
370.20206	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	352.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
61.02911	0.4
69.03432	2.3
69.13899	2.9
73.02925	0.4
81.03408	1.3
85.02903	4.1
91.05465	1.9
93.43896	0.4
97.02875	4.0
98.02246	0.5
98.23518	0.8
103.03920	0.5
109.02869	2.1
115.05424	1.6
117.05719	1.6
118.06528	4.1
127.03896	1.2
128.04947	11.6
129.07007	0.9
130.06520	3.5
132.07242	0.5
132.08035	2.5
142.06494	2.8
146.05986	100.0
147.06299	3.6
148.03868	0.8
156.08066	4.9
158.05994	8.6
158.07225	0.5
159.06824	0.9
160.07570	7.1
162.05482	0.6
170.06007	1.3
172.03902	0.7
184.07542	4.6
186.05467	0.7
187.96442	0.4
188.05342	1.0
188.07036	18.5
190.04956	1.7
190.08632	0.6
212.07036	12.0
213.07253	0.5
214.04979	0.6
224.06982	2.1
254.08089	1.5
256.05942	0.7
290.09961	0.6
325.24191	0.6
334.09027	0.5
352.10175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1175
Annotation	Oxoglaucine
Peak:m/z	Relative Intensity
53.96203	0.6
55.05482	0.8
67.05474	0.6
69.07063	1.0
71.44018	0.6
79.05470	1.1
81.07047	1.6
89.87763	0.6
91.05428	0.8
93.07011	0.8
95.04966	0.8
105.06981	0.9
107.08521	0.8
133.10114	0.9
152.24754	0.6
177.29137	0.7
210.14651	0.7
222.14796	0.7
234.05536	1.0
235.06187	5.0
236.06918	0.8
241.58521	0.6
247.06151	0.8
248.07031	1.4
250.05069	0.7
251.05722	1.5
262.05032	0.7
263.05698	3.5
264.06491	3.3
265.07321	1.3
268.05917	0.8
274.21628	0.7
275.19934	0.7
276.06628	2.6
278.08136	1.8
279.05154	1.3
291.05267	1.5
292.05972	2.5
292.22711	2.4
293.06796	7.4
294.07516	4.8
304.06064	2.2
305.06674	0.8
306.07541	76.4
307.04761	1.2
307.07828	3.8
308.09152	5.4
320.09091	1.1
321.06354	1.8
322.07043	15.2
323.07294	0.9
324.08090	0.7
336.08496	3.3
337.09421	9.6
351.21292	1.1
352.11731	100.0
352.21332	2.6
352.25015	1.9
353.12024	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	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03422	0.8
62.82719	0.7
65.03926	1.6
67.05158	1.1
67.05501	18.6
67.05857	1.3
69.03414	2.6
70.41915	1.7
71.04977	2.1
73.02915	1.0
79.05482	0.8
80.24530	0.8
81.07055	1.2
85.02896	5.9
85.06540	2.3
86.09715	1.0
88.73742	0.8
90.35641	0.8
91.05445	1.0
95.04959	18.6
95.08674	0.8
97.02884	2.3
98.91488	0.9
99.08073	2.4
105.07064	0.9
107.08607	1.3
109.10120	2.0
110.10343	0.6
111.08092	2.4
113.05984	5.5
119.04852	0.9
119.08588	0.9
121.10185	0.9
125.09606	0.9
127.03931	0.9
127.07543	5.9
128.92168	0.8
132.04457	0.8
133.04944	4.7
141.05450	100.0
142.05806	2.7
142.08766	0.8
145.04933	1.1
148.03911	1.1
150.05455	1.3
151.05775	1.1
155.07013	76.8
156.07388	2.4
159.06540	3.9
162.05464	0.9
164.07065	1.1
167.59999	0.8
173.08090	15.1
180.08682	1.1
188.06987	0.8
217.09917	0.8
250.81995	0.8
352.18161	2.3
353.16095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38300	0.5
57.03424	0.6
61.02897	0.5
63.37151	0.5
67.05494	7.6
67.46848	0.5
69.03424	1.2
69.07070	0.5
70.56750	0.5
71.04975	1.1
79.05470	0.8
81.03410	0.9
81.07045	0.7
84.08150	0.6
85.02910	3.3
85.06525	1.4
91.05489	0.9
92.06293	0.7
93.07005	0.9
94.19389	0.5
95.04954	9.6
95.08598	0.7
97.02882	1.4
99.08088	0.7
103.74228	0.5
105.07013	1.2
109.02906	0.6
109.10128	1.2
113.06007	3.5
120.08124	0.6
127.03959	0.6
127.07526	1.3
127.11209	0.7
131.08514	0.6
141.05449	100.0
142.05771	2.8
145.04939	0.7
145.08560	1.0
146.02225	0.5
146.05853	0.6
155.06995	10.8
155.10619	0.8
156.07343	0.6
159.06522	3.6
173.08078	7.3
173.11728	0.7
180.08655	0.7
182.08067	0.9
192.02881	0.9
201.05475	1.0
220.69318	0.5
346.78485	0.6
353.15375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05502	1.2
57.03408	0.6
57.07057	0.6
60.04511	1.6
62.57273	0.5
67.05498	3.1
69.03417	0.6
70.06585	0.9
70.39776	0.5
70.88835	0.7
71.04980	1.6
72.08144	11.6
72.08523	1.0
79.05518	0.5
81.07054	0.8
83.47458	0.5
85.02895	1.0
85.06503	0.6
86.09713	0.8
91.05487	0.4
94.86677	0.5
95.04959	0.9
95.08602	0.9
99.04443	0.7
103.05428	0.8
107.18106	0.4
109.10138	3.1
119.03561	0.7
119.04939	1.1
120.07288	0.9
120.08091	6.4
127.07547	0.8
127.45184	0.4
136.06166	100.0
136.07458	3.1
137.04567	1.1
137.06570	1.1
137.09613	1.1
145.08572	2.7
148.06175	3.0
148.07286	0.7
155.10669	3.9
159.06642	1.5
159.11253	2.0
166.08664	3.5
172.07588	1.0
173.08113	0.9
173.11745	1.1
173.13155	0.6
185.08191	6.4
187.10719	3.1
190.04915	0.6
190.08583	0.9
193.09723	1.1
201.05302	0.7
202.10844	9.4
203.11130	0.5
207.11224	0.8
211.77568	0.4
220.11900	97.2
221.12236	3.4
253.11775	3.3
352.16153	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1612
Annotation	trans-Zeatin-riboside
Peak:m/z	Relative Intensity
55.01864	0.7
55.05502	1.2
57.03408	0.6
57.07057	0.6
60.04511	1.6
62.57273	0.5
67.05498	3.1
69.03417	0.6
70.06585	0.9
70.39776	0.5
70.88835	0.7
71.04980	1.6
72.08144	11.6
72.08523	1.0
79.05518	0.5
81.07054	0.8
83.47458	0.5
85.02895	1.0
85.06503	0.6
86.09713	0.8
91.05487	0.4
94.86677	0.5
95.04959	0.9
95.08602	0.9
99.04443	0.7
103.05428	0.8
107.18106	0.4
109.10138	3.1
119.03561	0.7
119.04939	1.1
120.07288	0.9
120.08091	6.4
127.07547	0.8
127.45184	0.4
136.06166	100.0
136.07458	3.1
137.04567	1.1
137.06570	1.1
137.09613	1.1
145.08572	2.7
148.06175	3.0
148.07286	0.7
155.10669	3.9
159.06642	1.5
159.11253	2.0
166.08664	3.5
172.07588	1.0
173.08113	0.9
173.11745	1.1
173.13155	0.6
185.08191	6.4
187.10719	3.1
190.04915	0.6
190.08583	0.9
193.09723	1.1
201.05302	0.7
202.10844	9.4
203.11130	0.5
207.11224	0.8
211.77568	0.4
220.11900	97.2
221.12236	3.4
253.11775	3.3
352.16153	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18979	1.2
54.69672	1.2
55.01840	1.3
55.05521	6.2
55.05738	1.2
57.03437	1.8
58.17913	1.2
59.04987	1.5
64.51213	1.3
67.05497	34.7
69.03416	8.6
69.07046	3.6
69.60184	2.7
69.60573	2.6
71.04978	2.1
79.05480	2.7
81.03402	2.3
81.07050	11.3
83.04953	1.8
83.08615	3.5
85.02898	14.1
91.05441	2.3
93.07026	7.6
93.69031	1.2
95.04949	2.9
95.08599	11.5
97.02882	4.2
97.06524	1.5
99.04441	4.9
100.61412	1.2
104.76844	1.4
105.07011	2.4
106.59292	1.3
107.08580	3.2
109.06503	3.5
109.10142	100.0
110.10465	3.2
115.03106	1.2
115.07552	2.7
118.88903	1.4
119.08559	4.8
125.09559	2.3
127.03919	2.5
127.11205	1.6
133.10188	1.3
137.03201	1.1
137.09599	45.1
152.08897	1.2
155.10649	62.6
162.06482	1.5
173.11717	55.5
174.12050	3.0
180.08652	4.8
181.49654	1.3
191.06931	2.7
198.21173	1.4
205.09991	1.7
285.98257	1.2
292.10159	1.4
320.09775	1.5
331.57098	1.5
351.75595	1.3
352.12601	2.3
352.18051	1.4
353.13800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	17.9
56.42875	10.9
58.02939	12.4
59.31728	12.3
66.27132	11.5
66.93223	11.9
67.05500	49.5
67.08733	11.5
69.07059	24.9
69.53378	13.8
69.53716	51.7
70.06583	72.8
79.05487	43.4
81.07048	45.5
82.06600	19.6
91.05484	19.7
93.07047	41.3
95.08604	40.3
96.08118	29.4
98.22753	26.2
105.07052	15.9
109.10133	22.6
121.10173	17.3
126.12817	36.3
152.14334	12.9
154.12329	20.9
156.33124	11.9
158.71146	11.9
166.15901	47.4
212.16490	47.4
229.43404	13.0
252.19585	59.2
352.28366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0838
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.96553	0.5
69.59994	0.7
69.60367	0.7
69.81367	0.5
74.13068	0.4
85.02872	1.2
97.02907	0.6
111.94743	0.4
146.05984	10.1
147.06351	1.1
160.07594	0.5
174.05473	2.1
185.04170	9.6
188.07005	3.9
190.02368	1.6
191.03117	6.1
192.06555	3.8
212.07149	0.8
216.06506	0.5
234.07564	0.7
353.08359	100.0
354.08676	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	353.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30586	0.7
69.45929	2.6
84.08171	0.8
85.02884	1.5
85.46784	0.7
97.02883	1.3
98.22701	0.7
118.06548	0.8
124.50524	0.7
128.16110	0.7
130.06439	1.0
132.08115	0.9
146.05989	33.4
147.06320	2.2
174.05469	7.3
184.07582	1.1
185.04184	12.5
188.07039	13.7
190.02336	2.1
191.03125	5.5
192.06541	8.9
212.07040	2.2
216.06578	2.0
234.07588	1.9
270.07468	1.1
353.08362	100.0
353.11703	4.5
354.08688	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	353.084
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
52.20949	2.4
69.80502	7.9
69.80840	3.0
79.31129	2.6
97.36923	2.8
98.22778	4.9
128.02306	2.6
148.49284	3.0
153.77017	2.7
191.94682	2.4
208.97224	27.0
353.08380	100.0
354.08472	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	353.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43101	0.8
55.05495	2.3
64.11906	0.8
67.05472	3.0
67.75817	0.9
69.03407	2.0
69.07056	1.4
79.05475	2.8
81.07047	5.5
83.04972	0.9
85.06545	0.8
91.05466	2.0
93.07016	3.3
93.07535	0.8
95.04922	1.2
95.08592	2.8
97.02871	1.0
99.04441	0.9
105.06973	2.6
107.08553	3.5
109.06475	1.2
109.10120	3.4
111.08058	0.8
119.08594	2.2
121.10106	3.1
123.11740	1.4
124.09261	0.9
127.00024	3.6
133.10098	1.9
135.08037	1.2
135.11678	1.3
137.06010	1.2
137.09593	1.6
139.11186	1.2
145.10071	1.5
149.13329	0.9
159.11693	1.3
163.11124	1.3
179.75233	0.7
188.98026	0.8
189.06369	2.8
201.16534	0.8
205.11949	6.0
218.91580	0.8
231.08025	1.2
249.08415	1.8
249.10950	29.8
250.11407	1.4
261.09109	1.3
267.12003	6.1
273.90204	1.0
288.32544	1.0
293.11700	1.8
298.73712	0.9
309.13068	15.1
321.07571	2.1
321.11194	2.0
353.11984	100.0
354.12399	6.1
354.16418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1357
Annotation	cotinine-glucuronide
Peak:m/z	Relative Intensity
53.44916	0.3
60.52441	0.3
69.62050	0.3
71.06721	0.4
78.56037	0.3
79.64754	0.3
79.73254	0.2
85.83144	0.3
92.38264	0.3
95.08582	0.6
167.21478	0.3
307.50107	0.3
335.12415	1.7
353.13519	100.0
354.13849	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	353.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03586	0.2
65.03928	2.7
69.54152	0.6
77.03903	0.4
79.05484	2.1
91.05466	65.6
92.05803	1.9
95.04950	0.5
98.22678	0.3
100.64106	0.2
105.91145	0.1
107.00470	1.4
108.01258	7.9
109.01581	0.2
117.24255	0.2
126.02281	0.7
149.96100	0.2
152.06210	0.4
154.07773	0.3
170.02898	0.2
173.99248	0.2
183.03558	12.7
184.04321	2.6
185.05109	6.1
186.05441	0.3
201.04659	0.5
202.05400	0.7
219.05676	0.5
257.39737	0.2
261.05972	0.1
261.08231	9.8
262.09015	14.4
263.09399	1.2
266.08588	0.3
293.07114	1.2
294.07977	7.2
295.08432	0.5
348.86768	0.2
353.14453	100.0
353.23029	3.7
354.14819	9.5
354.19363	0.3
354.23373	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	353.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.0
69.07028	0.9
69.70073	2.9
81.07039	1.7
93.07021	1.6
95.08608	0.9
96.37125	0.7
107.08548	1.5
109.10149	1.0
113.36337	0.8
185.04181	59.4
186.04591	0.9
191.07021	0.9
191.10394	18.6
243.95586	0.8
353.15689	100.0
354.16080	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01867	3.0
55.05507	9.8
57.07069	5.1
58.65230	1.8
65.03930	3.4
67.05496	100.0
68.99783	3.6
69.03423	6.2
69.07064	11.2
71.04988	4.5
71.08575	1.9
71.24426	1.5
74.13345	1.5
77.68733	1.4
79.05482	45.7
79.05945	2.6
81.07048	95.2
82.07313	2.4
83.04973	2.8
83.08620	2.8
85.06537	2.4
87.00816	16.0
87.04449	2.6
91.05465	54.8
93.07030	46.5
95.04964	9.3
95.08591	54.6
97.02901	2.0
97.06522	5.2
97.10148	1.9
98.23408	1.9
101.05985	4.2
105.01847	2.8
105.07015	32.6
107.04928	2.4
107.08575	22.8
109.06507	1.8
109.10136	34.9
111.08059	2.8
115.03931	2.6
117.07013	6.9
119.08561	31.4
121.06520	2.9
121.10125	24.7
123.08109	2.4
123.11685	23.4
125.09605	1.7
129.07036	5.0
131.08563	8.4
133.10112	34.9
135.08049	1.6
135.11647	14.5
137.09567	2.9
137.13239	7.1
143.08556	4.8
145.10127	6.5
147.08054	4.1
147.11661	33.7
149.09631	3.2
149.13249	7.4
151.07507	2.4
151.11177	2.2
153.12735	4.1
157.10129	3.8
159.05396	1.9
159.11707	4.5
161.09631	6.7
161.13272	9.1
163.11180	2.4
163.14819	4.1
165.09171	3.0
165.12735	1.9
171.11700	3.5
174.10509	1.5
175.11131	7.8
175.14857	6.4
177.16428	4.7
179.10658	2.9
187.14670	1.9
189.12708	2.4
189.16388	3.4
193.12321	2.8
201.16420	3.3
203.17923	38.9
207.13698	2.1
213.16393	7.1
221.18994	10.5
229.15709	1.7
231.17421	11.8
247.16946	7.1
249.18565	5.6
267.19565	8.4
289.17755	1.8
297.13187	1.9
306.40979	1.7
335.18411	2.2
353.15637	4.1
353.19528	14.0
353.23138	5.3
354.13171	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87931	0.5
71.19536	0.7
77.25557	0.5
335.21384	0.5
353.13727	9.8
353.22925	100.0
354.13980	1.3
354.23315	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	353.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
55.05507	3.0
57.03429	0.9
57.07066	0.8
67.05495	4.7
69.07073	4.2
70.16848	0.8
70.17176	0.8
71.08610	2.2
79.05489	3.0
81.07043	5.5
83.05006	0.6
83.08620	2.5
91.05491	1.0
93.07040	2.9
95.04958	0.6
95.08601	4.1
95.53187	0.5
97.06545	1.2
97.10138	0.6
99.08076	1.5
105.07023	1.3
107.08566	2.1
109.10140	2.0
119.08529	0.6
121.10155	2.7
131.08533	0.8
135.11673	1.4
147.11697	1.0
149.13254	1.0
153.12711	1.2
159.11650	0.8
161.13210	0.7
200.10069	0.5
203.76312	0.5
261.22122	1.4
276.72098	0.6
279.23096	1.2
309.47937	0.6
328.57251	0.6
351.31146	0.5
353.26581	100.0
354.26938	8.2
354.33572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
54.59239	2.3
55.05501	13.2
57.07066	2.6
58.21843	2.3
65.03914	5.3
66.92773	2.6
67.05496	84.0
68.96812	2.7
69.07059	15.1
79.05486	51.0
81.07049	87.6
83.08615	6.2
83.63831	2.5
87.35767	2.2
91.05468	28.7
93.07034	62.0
95.04968	5.9
95.08011	4.6
95.08597	61.2
98.23521	5.4
101.35644	2.4
103.88991	2.6
105.07005	20.0
107.08580	38.4
109.10140	35.1
117.07007	11.1
119.08570	15.3
121.10136	32.1
123.11681	14.4
131.08575	17.8
133.10132	8.8
135.11649	26.8
135.21327	2.7
137.13258	5.2
145.10075	15.3
147.11684	10.1
149.13237	19.6
158.35770	2.3
159.11652	14.5
161.13239	9.4
163.14784	10.2
173.13228	15.9
187.14748	7.1
233.22701	4.8
243.21092	20.8
261.22110	100.0
262.22437	3.8
279.23138	3.3
335.25769	4.9
353.26846	25.2
354.27097	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30996	2.0
51.46199	1.9
53.03941	4.3
55.05505	19.2
57.03432	8.6
57.07071	12.6
59.24603	2.0
67.05500	92.7
67.05863	5.0
68.05833	4.4
69.07059	16.6
69.49432	3.5
69.49804	3.3
71.04987	2.2
71.08614	6.6
71.90044	2.0
79.05481	44.3
81.07048	100.0
83.08604	10.9
85.06532	4.0
85.10168	19.2
91.05477	30.4
92.05797	2.4
93.07037	65.2
93.07603	4.7
95.04969	2.6
95.08596	67.0
95.09206	3.3
97.06525	6.4
97.10162	5.7
99.08120	3.3
105.07008	18.4
107.08585	36.5
109.10146	38.3
111.08077	6.5
113.09634	27.4
117.07010	7.6
119.08559	14.8
121.10133	36.7
123.08109	2.1
123.11691	17.9
131.08572	19.0
133.10121	36.9
135.08009	3.9
135.11688	25.1
137.13268	5.4
143.67563	2.2
145.10146	14.4
145.11159	2.9
147.11639	12.7
149.13242	21.1
151.14844	5.2
159.11731	11.4
161.13232	9.9
163.14828	12.0
165.12830	2.1
167.14276	3.6
173.13251	16.3
175.14784	2.5
177.16402	4.3
181.15898	10.7
187.14777	9.0
233.22626	4.3
243.21051	23.3
261.22107	80.9
262.22458	8.1
279.05338	2.4
279.23138	8.2
334.55283	2.1
335.26007	4.4
336.28787	3.2
353.26740	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52686	1.5
53.03934	1.7
55.05506	16.0
55.44587	1.7
57.03419	5.6
57.07044	5.0
62.08271	1.7
65.03933	1.5
67.05497	86.2
69.07061	13.4
69.15455	9.2
71.08623	2.8
75.04461	2.4
79.05481	57.3
81.07047	100.0
83.04970	2.2
83.08602	6.3
85.06522	3.9
91.05463	25.2
93.07033	64.9
94.07343	3.5
95.04960	5.1
95.08592	66.1
95.09209	3.4
96.08948	2.5
97.06502	4.7
97.10152	4.3
98.22699	3.5
99.08067	3.6
103.07281	1.5
104.27355	1.8
105.07012	17.8
107.08582	40.9
108.08934	2.9
109.06496	1.8
109.10148	25.6
111.08051	3.3
113.09680	2.5
117.07008	8.4
119.08562	14.2
121.10130	31.5
123.08079	2.5
123.11694	11.4
131.08557	19.6
133.10118	10.3
134.80247	1.6
135.11688	23.2
137.13240	7.6
145.10095	15.5
147.11676	12.5
149.13243	20.1
151.11182	2.0
151.14795	3.2
153.12727	2.9
159.11690	16.4
161.13235	9.7
163.14807	15.1
165.28375	1.6
167.14302	2.0
173.02335	1.8
173.13258	15.5
175.14832	5.8
177.12799	1.7
177.16382	6.7
187.14745	7.1
219.17445	1.8
233.22560	6.8
243.21054	30.4
261.22104	67.6
261.59213	2.0
262.22488	4.8
279.23117	3.2
335.25827	10.0
353.26654	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03924	2.0
55.05501	14.5
57.03437	4.1
57.07062	4.1
67.05497	91.0
69.07057	13.6
69.59128	7.7
70.04065	1.8
71.04983	3.0
79.05485	42.2
81.07045	100.0
82.07378	3.0
83.08597	5.8
91.05476	20.7
91.78278	1.7
93.06448	3.0
93.07033	56.3
95.04959	4.0
95.08597	74.4
97.10133	3.6
97.83652	1.8
98.22802	2.6
99.08049	2.0
105.04462	2.0
105.07024	14.7
106.28316	1.7
107.08582	30.5
107.09252	2.7
109.10135	40.5
117.07008	6.0
119.08568	13.7
121.10138	27.3
123.08060	3.0
123.11686	16.4
125.09575	1.9
131.08559	16.0
133.10080	13.5
135.11670	26.8
137.13235	6.9
145.10095	11.9
147.11662	9.2
149.13252	19.2
151.14827	3.1
159.11668	18.5
161.13243	6.9
163.14796	10.3
173.13225	16.9
175.14803	3.3
177.16367	3.3
187.14854	9.0
232.09492	2.0
233.22563	2.9
243.21049	18.0
261.22116	87.0
262.22379	5.2
277.49881	2.2
279.23022	5.3
281.02563	2.0
303.43738	2.0
335.25720	9.7
353.26813	24.6
369.51712	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.80373	2.0
55.05511	13.7
57.03421	5.7
57.07055	4.2
65.03916	3.9
67.05498	89.5
67.05862	4.4
69.07064	13.1
69.97951	4.1
71.04999	2.3
74.01089	1.8
79.05486	41.1
80.81055	1.7
81.07049	100.0
81.15146	2.7
83.08607	5.9
88.44701	2.1
91.05470	22.0
93.07034	50.1
95.08598	71.9
96.08919	2.8
97.06514	2.2
97.10168	3.2
99.08091	2.7
104.07063	1.9
105.07023	17.0
107.08583	35.1
109.10155	37.5
109.38826	2.1
110.10564	1.8
116.18861	1.9
117.06992	8.0
119.08544	13.0
121.10129	30.5
123.11687	21.2
131.08574	19.7
133.10135	12.3
135.11694	22.0
137.13203	10.0
145.10107	14.9
147.11678	10.2
149.13251	16.6
151.14774	3.9
159.11636	12.9
161.13248	8.9
163.14819	9.3
173.13255	15.0
175.14862	2.7
177.16411	3.5
187.14754	12.1
201.16411	3.5
233.22598	2.7
243.21107	18.7
261.22131	82.9
262.22485	5.3
279.23148	6.6
335.25705	11.9
353.26840	20.0
354.26962	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.87201	1.6
53.03932	2.6
54.30559	1.8
55.05507	12.2
57.03421	4.7
57.07071	9.3
65.03923	3.5
67.05496	99.9
68.05810	2.2
69.07056	16.0
70.06570	2.1
70.94905	2.9
71.08606	6.9
75.04453	2.2
77.03938	1.9
79.05484	68.7
79.05943	4.3
80.05813	3.4
81.07048	100.0
82.07375	2.4
83.08607	9.8
85.06522	5.8
85.10179	3.8
88.07590	3.6
91.05470	33.9
93.07034	86.7
95.04955	8.3
95.08598	76.1
95.09212	3.5
97.06544	4.3
97.10150	5.9
98.80645	1.9
99.08074	7.1
105.07024	25.7
105.79276	2.2
106.11362	1.9
107.08579	50.0
109.06499	3.4
109.10130	27.8
113.09621	3.8
117.07037	9.9
119.08556	14.0
121.10125	33.9
123.11709	12.8
131.08549	29.8
133.10118	12.3
135.11691	25.7
137.09560	2.7
137.13254	7.4
145.10104	19.5
147.11623	12.4
149.13234	28.4
151.14806	4.5
158.19446	2.6
159.11673	16.5
161.13229	13.4
163.14792	20.3
165.16386	2.2
173.13255	16.9
174.13550	2.0
175.14807	4.8
177.12766	3.7
177.16356	8.7
187.14775	10.6
191.14391	2.6
201.16275	3.5
206.48987	2.3
233.22577	7.0
243.21065	39.2
261.22101	83.6
262.22412	7.0
276.62643	2.1
276.66345	2.1
279.23071	3.0
335.25690	5.4
336.32663	2.3
353.26758	7.5
354.33569	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.89249	1.2
53.03934	2.2
55.01871	51.5
55.05257	2.6
55.05509	50.7
57.03437	19.1
57.07072	13.6
59.04993	3.5
63.73330	1.3
64.28365	1.3
65.03941	2.3
67.05501	81.3
69.03416	2.3
69.07066	100.0
70.07379	1.9
71.05003	7.1
71.08623	6.2
79.05036	2.4
79.05488	46.8
81.07054	74.8
83.04979	18.6
83.08112	2.3
83.08615	43.4
85.06538	5.6
85.10184	2.0
91.05473	12.9
93.07040	60.3
95.04981	4.7
95.08602	70.8
97.06525	18.0
97.10165	15.5
98.22630	3.0
99.08080	5.1
103.05417	1.3
105.04500	1.5
105.07018	8.6
107.08591	45.8
109.06487	1.8
109.10159	39.6
111.08070	7.8
111.11723	2.2
113.09628	1.4
117.07021	5.6
119.08569	7.7
121.10147	27.8
123.08040	2.3
123.11707	11.9
125.09603	7.6
131.08531	7.0
133.10118	5.3
135.08028	5.3
135.11685	39.8
136.12056	1.9
137.09627	4.3
137.13245	9.3
145.10121	5.2
147.11684	5.9
149.09622	4.6
149.13251	14.3
151.14804	5.2
153.09097	3.6
153.12735	63.1
154.13051	1.4
155.10664	2.4
159.11691	5.5
161.13229	4.9
163.11185	5.2
163.14787	8.4
165.16344	1.7
167.10663	2.3
169.15788	2.1
173.11659	4.6
173.13232	6.4
175.14807	2.7
177.12659	2.0
177.16403	3.6
179.14313	1.6
181.12299	2.7
181.15855	3.3
183.13657	1.4
187.14801	4.4
189.11212	4.3
195.13794	1.5
219.21092	2.9
233.22615	12.5
243.21034	15.4
251.23686	9.3
261.22119	29.2
279.23175	44.2
280.23456	3.2
308.97256	1.5
324.44290	1.6
335.16803	3.2
353.26816	62.2
354.27121	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.05494	16.1
57.03432	3.0
57.07067	5.2
65.03952	2.9
65.75465	2.3
67.05492	87.4
68.05846	3.2
69.07056	12.0
70.72691	3.1
71.04996	2.7
71.08637	2.1
75.04502	3.5
77.17428	1.9
79.05482	54.5
79.05942	2.9
81.07044	100.0
83.08624	7.8
83.29705	2.0
88.07626	2.6
91.05463	24.8
93.07029	64.8
93.07588	3.6
95.04968	4.2
95.08592	71.6
97.06546	3.2
97.10182	3.4
99.08099	3.0
101.96066	2.1
105.04478	1.9
105.07018	21.3
106.86928	1.8
107.08573	39.9
109.10141	30.5
117.07039	5.2
119.08549	13.7
121.10117	34.9
121.10841	2.7
123.11665	15.2
131.08549	20.6
133.10101	10.1
135.10722	4.0
135.11664	24.0
137.13235	6.3
145.10130	14.2
147.11639	12.5
149.13225	22.3
151.14835	2.6
159.11627	14.2
161.13272	9.8
162.13567	2.0
163.14807	15.6
163.64531	2.1
173.13231	19.6
175.14867	4.1
177.16364	4.9
181.93651	1.9
187.14835	12.1
233.22652	3.3
243.21005	30.9
244.21552	2.3
261.22089	93.9
262.22546	4.6
279.23145	5.5
335.25674	9.7
353.26797	11.0
354.33624	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12550	1.9
53.23888	2.2
55.01868	11.7
55.05503	23.0
57.03429	27.9
57.07067	6.4
65.03942	4.7
67.05495	100.0
68.05838	2.8
68.96535	2.4
69.07052	27.2
69.45419	6.7
70.64083	1.7
71.04962	3.5
71.08632	5.2
71.54862	1.9
72.39216	2.0
73.02896	2.7
77.03862	2.1
79.05481	44.5
81.07046	81.5
82.07388	2.5
83.04969	3.8
83.08617	7.5
85.06535	3.7
86.70935	1.9
91.05467	33.2
93.07035	61.0
95.04960	7.9
95.08597	71.2
96.08946	2.7
97.06538	5.0
97.10148	4.2
98.23410	3.8
99.08073	6.5
103.03931	42.4
105.07025	17.9
107.08581	35.4
109.06493	4.1
109.10147	27.5
111.08125	2.6
117.07023	7.1
119.08562	14.2
121.10129	25.0
123.08095	2.2
123.11687	6.3
129.05479	12.0
131.08531	19.1
133.10101	12.8
134.38263	2.4
135.11662	20.1
145.10109	12.0
147.11665	4.4
149.09595	6.2
149.13258	12.1
151.04712	1.9
151.11238	2.4
153.12782	2.1
159.11676	9.3
161.13210	5.8
163.14822	8.4
173.13255	7.3
175.14844	3.4
177.16403	5.8
187.14864	4.7
207.65727	2.0
212.62210	2.4
233.22684	3.2
243.21060	21.2
252.05487	2.4
261.22119	30.8
275.91504	2.3
335.25748	7.7
353.26782	13.7
353.31592	3.5
354.33395	3.9
368.13361	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	20.8
57.03434	6.7
57.07070	13.4
66.14333	3.9
67.05496	94.5
68.57178	4.1
69.07062	24.6
69.33592	8.3
69.33986	12.1
71.08616	12.0
76.55194	4.5
79.05484	56.3
80.20847	4.3
81.07049	100.0
83.05058	4.9
83.08601	9.7
85.06530	10.9
91.05460	30.7
92.54353	4.3
93.07034	67.8
95.04957	8.7
95.08600	68.8
97.06548	6.8
97.10176	5.1
98.22683	9.9
99.08072	14.7
99.27276	4.1
103.03928	6.2
105.06998	23.4
107.08594	34.3
109.10155	22.0
117.06982	11.7
119.08569	15.4
121.10152	36.7
123.11645	11.5
129.05505	5.1
130.78839	4.6
131.08565	25.0
133.10132	10.0
135.11694	33.4
135.12581	6.8
137.13260	9.5
145.10124	17.4
147.11671	10.7
147.75688	4.2
149.09688	5.6
149.13286	20.6
151.14807	6.8
159.11668	15.8
161.13220	7.9
163.14754	25.5
165.16261	5.9
173.13205	17.4
177.16399	13.2
186.15692	4.4
187.14865	10.0
187.61574	4.2
227.31067	5.1
233.22653	10.0
243.21078	36.1
261.22141	50.1
262.22653	6.8
307.95605	4.5
335.25552	5.1
353.12439	5.2
353.26877	15.9
354.13388	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.78651	2.6
55.05499	18.8
57.03424	5.2
57.07069	20.1
67.05496	78.3
69.07044	17.1
69.29594	9.3
69.29993	5.3
71.04970	2.9
71.08617	8.4
79.05486	67.6
81.07049	100.0
83.04966	2.8
83.08610	9.9
85.06543	5.4
85.10160	6.5
88.41569	3.0
91.05476	33.6
93.07036	88.3
95.04964	6.1
95.08013	5.2
95.08598	71.8
97.06474	5.3
97.10170	4.0
98.22642	4.0
99.08086	14.0
105.07037	26.5
107.08573	43.2
109.06510	4.1
109.10150	17.2
111.08087	4.4
113.09630	5.9
114.66533	2.4
117.07001	12.5
119.08549	15.6
121.10133	46.5
123.11734	9.8
131.08566	23.8
133.10149	13.1
135.08080	2.7
135.11693	29.5
136.05936	2.5
137.13257	3.6
145.10120	19.7
147.11682	15.1
149.09660	4.0
149.13239	19.9
151.11203	5.4
151.14815	3.5
159.11682	17.0
161.13231	13.0
163.11145	4.5
163.14812	33.5
165.16304	3.1
171.66035	2.5
173.13225	11.7
175.14772	5.1
177.16319	15.6
179.95396	3.3
185.40936	3.2
187.14832	9.0
201.16330	4.1
233.22636	16.5
243.21063	46.5
261.22098	63.7
262.22479	4.5
263.12714	2.7
279.23172	4.7
335.25739	5.6
353.26904	16.2
372.48550	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	354.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93717	0.4
54.72824	0.4
55.01861	5.2
55.92292	0.4
57.03440	1.2
59.04990	2.0
61.02928	0.9
65.03943	1.7
68.16893	0.4
69.07037	0.5
69.42422	1.0
69.42808	1.4
71.01337	1.9
73.02909	16.4
83.01332	5.6
87.04455	7.4
89.02415	0.6
89.20975	0.5
92.04982	2.1
101.02348	0.8
103.03923	1.3
110.07163	0.6
115.03932	5.0
117.93252	0.5
120.04456	5.9
121.02798	0.5
133.04951	78.8
134.05217	0.8
137.05954	0.6
137.67371	0.4
142.12939	0.4
148.03922	33.3
149.04250	0.7
157.08609	1.0
161.04437	3.6
161.05750	0.7
161.07437	0.5
175.07472	0.8
176.03407	100.0
177.03758	3.6
177.05124	0.5
199.47986	0.4
214.07373	0.8
222.03981	1.0
224.45708	0.5
241.11606	1.1
323.09979	1.9
336.07095	4.2
354.07864	0.8
354.14017	0.6
354.19769	2.3
355.12347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0944
Annotation	Acenocoumarol
Peak:m/z	Relative Intensity
50.26880	1.5
56.96558	11.2
67.19021	1.4
69.03418	2.3
70.06570	2.0
70.71973	2.0
84.08100	1.5
84.15418	1.6
85.60518	1.3
97.02877	6.2
98.97577	11.0
109.02826	1.9
110.07143	5.7
110.97566	3.7
115.03902	6.9
116.98609	3.2
120.08064	2.8
127.03825	2.1
128.98599	2.8
134.99602	2.0
139.03831	2.4
139.07536	2.1
157.08632	1.6
163.03900	3.2
172.94402	2.6
174.05505	1.8
175.05931	2.9
175.09726	2.2
177.00752	1.9
192.03189	1.6
192.10017	1.7
196.06429	1.5
210.04417	3.7
219.01720	5.3
222.04301	1.9
232.96477	1.8
234.04282	3.4
237.02762	6.6
240.05281	2.4
270.97910	3.1
284.25217	1.5
288.99268	1.9
316.11523	1.5
330.99960	1.8
345.08163	1.7
354.09402	100.0
355.09869	2.4
372.14590	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02850	0.7
54.10268	0.7
55.15107	0.7
55.82132	0.7
57.03429	1.0
69.03415	1.4
70.83349	1.1
81.03388	0.9
85.02906	4.6
92.39138	0.8
97.02885	5.5
103.03942	1.5
109.02866	2.0
118.06533	2.5
127.03888	1.3
128.04941	2.8
130.06499	4.4
132.04416	1.7
132.08070	1.8
145.02922	0.8
145.05193	2.3
146.05986	100.0
147.06337	4.4
147.71742	0.7
158.05956	2.3
159.06766	1.8
160.07568	4.9
163.03889	5.8
168.08083	0.7
170.06003	5.4
174.05489	23.6
175.05891	0.9
176.07042	0.8
184.07465	3.4
188.07039	59.9
189.07402	3.2
192.06528	34.0
193.04967	1.7
193.06807	1.6
196.07568	2.9
198.09044	0.8
204.06586	0.9
212.07027	9.8
216.06554	7.8
224.07004	1.7
234.07573	9.6
240.06450	3.0
254.08139	1.7
258.07523	3.8
270.07587	4.3
275.28183	0.8
282.07614	1.6
300.08719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1181
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
69.03414	1.3
69.11330	3.3
74.26028	0.5
81.03422	0.6
85.02894	4.4
95.01367	0.7
95.23750	0.5
97.02877	3.2
103.03924	0.6
109.02862	0.9
118.06541	1.8
127.03913	0.5
127.53259	0.6
128.04973	2.6
130.06514	1.8
132.04440	1.5
132.08087	1.0
133.02823	1.2
142.06526	0.7
145.05205	1.1
146.05989	100.0
147.06360	2.9
147.42621	0.6
158.06090	1.2
159.06750	1.0
160.07536	4.0
170.06003	4.0
174.05487	27.9
175.05879	1.1
178.02469	0.8
184.07631	2.5
188.07045	44.2
189.07379	1.9
192.06528	43.2
193.04947	4.9
193.06821	1.3
196.07544	1.5
201.05408	0.6
204.06531	0.7
212.07069	5.2
216.06551	4.9
224.06975	0.5
234.07550	5.7
240.06570	1.4
242.08055	1.0
254.08147	1.7
258.07642	1.8
270.07474	2.6
282.07547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1179
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
57.03438	0.8
69.03413	1.1
69.70649	1.2
69.71037	1.3
70.73282	0.6
84.44695	0.5
85.02879	5.0
97.02871	3.8
103.03932	1.0
109.02831	2.1
118.06534	1.4
128.04932	2.4
130.06506	1.8
132.04428	1.9
132.08046	0.9
145.05208	1.1
146.05980	100.0
147.06319	3.4
158.05925	1.1
159.06721	1.5
160.07547	4.1
163.03859	1.7
170.05948	3.5
174.05482	26.7
175.05701	0.9
184.07574	3.1
188.07039	44.4
189.07440	1.5
192.06520	37.3
193.06935	1.5
196.07573	2.7
209.96268	0.7
212.07036	5.9
216.06421	5.0
224.07082	0.8
234.07574	6.1
240.06505	1.2
246.74768	0.6
254.07956	1.4
258.07639	2.1
270.07562	2.4
282.07376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1181
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
55.01870	0.9
55.05497	1.0
56.64194	0.9
57.03432	2.5
61.02922	2.5
69.03424	10.1
70.06593	1.0
71.04965	0.9
73.02918	1.7
81.03407	4.0
81.07030	1.1
85.02892	28.4
85.85670	0.8
86.42735	1.0
87.04475	1.4
91.03941	1.3
95.04958	1.7
97.02876	7.2
100.11243	2.0
103.21616	1.1
104.04967	1.4
105.03368	2.3
105.05736	1.0
109.02890	3.1
119.08575	1.3
120.08105	3.3
127.03902	5.0
130.06509	3.6
130.22166	1.0
131.08464	0.9
132.04439	19.8
133.05225	25.5
134.05980	1.5
144.04453	1.8
145.05058	1.2
146.06010	2.2
147.03212	1.7
147.58772	1.0
148.07550	8.4
156.04434	2.5
160.03918	71.9
161.04344	1.9
164.07115	1.3
174.05510	3.6
175.06293	1.1
178.04967	24.9
182.15398	1.2
184.03903	5.1
190.04910	1.0
192.06526	100.0
193.04852	3.0
193.06845	3.8
198.05539	1.3
200.03407	1.2
202.04977	6.7
204.06508	2.9
210.14873	1.6
214.05214	1.3
216.06580	3.4
226.04950	1.6
228.06516	2.6
234.07692	5.3
256.06058	1.7
258.07721	2.1
277.08649	1.1
322.09235	1.0
355.17224	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	354.1768
Annotation	Dihydrozeatin riboside
Peak:m/z	Relative Intensity
55.01862	0.7
55.05483	0.2
57.03418	1.1
69.03424	0.6
69.07058	5.1
73.02898	0.5
75.99802	0.2
79.42395	0.3
85.02895	0.9
85.34143	0.2
87.08081	0.3
91.05441	0.3
119.03513	0.6
119.04848	0.3
127.78847	0.3
131.08467	0.3
133.04922	0.3
136.06168	36.1
137.04556	2.4
137.05814	0.6
146.05963	1.7
147.04395	0.5
148.06154	8.5
149.05791	0.3
155.05641	2.5
162.06624	0.3
166.07253	0.4
175.09654	0.3
188.07068	0.4
192.06546	0.9
201.05409	1.1
204.12389	2.3
222.13460	100.0
223.13806	3.0
234.06978	0.3
262.06128	0.2
305.08029	0.3
323.09399	0.3
354.17664	20.5
354.51141	0.2
355.13516	2.2
355.17938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05507	11.8
56.05832	1.4
57.03420	1.8
57.07057	3.3
67.05493	44.3
67.76607	1.4
68.05829	15.3
69.07050	9.4
69.49786	6.4
70.06584	14.1
70.07396	2.6
71.08608	1.8
73.52608	1.3
74.06051	2.3
74.48517	1.3
75.97984	1.5
78.44935	1.3
79.05481	25.4
80.05798	8.0
81.07045	41.8
82.07376	14.5
83.08602	4.3
84.08975	1.5
86.88329	1.4
88.07612	15.7
91.05464	10.4
92.05785	5.1
93.07022	25.6
94.07362	12.5
95.04929	2.6
95.08588	35.2
96.08919	11.4
97.10126	2.3
102.09162	3.5
105.04491	1.3
105.07016	6.6
106.07342	4.7
106.08644	7.6
107.08578	16.1
108.08916	6.5
109.10146	13.1
110.10459	2.3
117.07006	2.6
118.07368	2.0
119.08566	5.6
120.08904	3.9
121.10102	8.3
122.10424	8.8
123.11687	4.1
131.08551	6.5
132.08879	5.8
133.10117	4.9
134.10471	1.9
135.11688	7.7
136.12015	5.1
137.13228	2.0
138.13542	1.7
145.10101	1.9
146.10426	4.7
147.11653	2.5
148.11963	2.5
149.13220	5.5
150.13589	8.9
151.14818	1.8
159.11693	4.6
160.12016	4.4
161.13309	1.7
162.13524	3.7
163.14848	3.6
164.15155	5.5
166.92694	2.1
173.13275	3.3
174.13576	4.7
176.15096	1.5
178.16670	1.7
180.14641	1.7
187.14850	1.7
188.15126	5.2
193.05078	1.4
234.23058	3.2
243.21002	2.2
244.21353	13.5
261.22079	8.0
262.22443	38.5
280.23425	1.6
324.08597	1.8
336.26184	3.8
336.32697	3.6
339.10754	1.3
342.60828	1.6
354.13312	5.6
354.26740	4.9
354.33612	100.0
355.34009	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	355.087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.9
57.03424	1.8
69.03429	7.3
70.06583	2.6
70.99854	1.5
71.43850	1.1
73.04764	1.4
77.00924	1.0
80.03649	1.1
81.03400	4.7
82.99851	4.4
85.02902	8.6
86.99303	1.9
91.05792	2.4
96.08231	1.3
97.02880	13.0
98.97552	5.9
101.00867	46.5
102.00919	1.5
102.97022	1.1
105.00350	2.0
107.04943	1.3
109.02851	5.4
113.00837	7.3
115.02441	2.4
115.03910	1.2
116.98645	1.9
119.01903	100.0
120.01994	3.4
127.02399	3.5
127.03889	2.1
131.01891	28.8
132.01994	1.7
133.03505	2.7
135.04430	2.3
137.00824	1.3
137.02945	16.0
139.02420	1.9
142.03566	1.2
143.01880	33.9
144.02069	1.6
145.03462	21.0
146.06035	2.9
147.04408	2.9
147.06345	4.4
149.02959	4.6
155.01859	21.0
157.03452	16.1
159.01410	4.0
161.02937	89.4
162.03105	3.3
163.03954	4.9
167.01894	4.7
169.03416	3.4
173.02942	28.5
174.05519	1.9
174.97639	3.3
175.04462	6.1
176.04459	2.4
177.00923	1.8
179.01913	5.0
179.04044	2.8
184.04742	1.4
185.02927	29.7
185.79164	1.3
187.04463	8.7
188.07034	1.3
189.07372	2.0
191.03967	4.8
192.06651	1.8
192.98674	2.8
193.06935	2.6
196.91765	1.3
197.02931	43.0
198.03102	2.6
199.04610	1.5
203.02342	2.1
203.04005	17.6
205.03502	4.2
215.03969	7.3
217.03464	1.9
219.02017	4.2
219.05122	1.5
221.04967	6.7
223.04506	5.4
227.04095	5.5
229.03467	2.4
234.99771	1.7
235.04482	24.3
235.82341	1.4
236.04692	1.5
237.06255	1.8
241.05663	1.7
242.01718	2.2
245.05035	46.3
246.05197	3.5
247.04579	4.2
253.05531	19.8
259.04623	1.7
263.06094	12.8
265.05646	4.1
273.01294	1.8
283.06470	2.1
285.00766	1.3
313.00497	2.4
313.07999	10.3
314.05026	3.7
331.03119	1.1
331.07516	3.5
332.06686	1.9
332.10382	2.7
355.08661	96.8
356.08942	6.3
373.08707	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	355.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13475	2.0
69.13887	1.4
90.83315	0.5
105.05800	0.5
105.46922	0.5
105.82343	0.7
146.06033	1.2
147.06302	1.2
150.78648	0.5
163.03931	0.8
164.06999	1.4
164.43269	0.5
177.01590	1.5
182.08151	1.0
185.04163	3.2
189.07408	1.1
192.03888	15.5
192.06540	0.7
193.04697	9.4
193.06599	1.1
198.69678	0.7
225.78149	0.6
263.46747	0.5
324.08035	2.5
325.08942	1.6
355.09921	100.0
356.10291	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	355.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93219	0.5
63.03410	0.4
69.92265	1.0
69.92632	1.1
75.11118	0.5
81.78602	0.5
95.38767	0.5
98.23396	0.9
112.15892	0.6
136.07579	0.5
146.06007	2.4
147.06381	3.6
163.03896	1.6
164.07048	1.2
175.05807	0.7
177.01582	1.2
182.08087	1.1
185.04176	4.4
188.07066	0.9
189.00256	0.5
189.07321	2.4
192.03905	14.3
192.06508	0.8
193.04724	8.6
193.06877	1.4
194.05251	0.6
220.12444	0.5
243.34932	0.6
282.93423	0.5
324.08176	3.2
324.11472	0.5
325.08792	1.4
340.84781	0.5
355.09937	100.0
356.10284	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	355.102
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.26325	0.7
58.06575	0.9
69.84000	2.7
79.05479	0.8
85.02856	0.9
89.03913	6.7
95.04936	0.8
97.02885	1.3
107.04936	2.5
117.03386	10.2
119.75890	0.9
133.02835	2.1
135.03455	1.5
135.04405	18.2
145.02837	12.7
146.06004	0.8
163.03880	100.0
164.04207	3.6
170.60297	0.8
175.03922	1.6
193.04993	1.4
204.44083	0.7
308.55145	0.9
323.09262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.62863	0.2
59.64487	0.3
67.01852	0.8
68.99778	0.5
69.03416	0.3
72.82366	0.3
73.63805	0.2
81.03401	0.3
85.02898	1.0
91.05466	1.8
95.04948	0.7
95.08583	0.3
97.02863	0.3
100.79824	0.2
102.04671	0.8
103.05465	0.8
105.07016	1.2
107.04967	0.3
109.02855	0.3
115.05463	0.7
119.04958	1.3
121.06495	0.4
122.03622	0.7
125.05932	0.7
126.97562	0.2
127.03905	0.7
130.04112	1.1
130.06511	3.3
131.04883	0.7
133.06459	0.5
133.10135	0.3
137.05951	5.1
137.09595	0.3
144.08046	0.3
145.06380	0.3
146.03568	0.3
147.04399	2.3
149.05939	0.6
150.06754	0.3
151.03847	0.6
151.07521	0.3
153.01810	0.9
160.05182	0.4
161.05952	2.0
162.06738	2.1
169.04933	0.5
172.07678	0.4
173.06003	0.7
175.03839	0.6
175.07321	0.5
176.07072	1.9
177.05418	0.9
177.06911	0.3
178.07706	0.5
185.04189	0.4
185.05980	0.4
186.03120	0.5
188.04706	0.4
189.05508	0.6
189.06993	0.6
190.07655	0.3
193.04935	100.0
193.08408	3.4
194.05275	3.5
194.07019	0.5
201.05423	4.7
203.06990	0.8
205.06503	0.4
206.07195	0.5
207.06522	0.6
213.05476	0.3
217.06590	0.3
218.07892	0.3
219.08093	0.4
231.06483	0.7
233.05994	0.4
234.06808	1.3
235.07666	0.3
245.05959	0.6
247.07381	0.4
249.09038	0.9
251.06982	0.4
261.05527	0.4
262.06186	1.1
263.07040	0.6
265.08331	0.4
273.05457	0.5
277.08469	1.5
279.06366	0.5
290.05768	0.7
293.07941	0.4
294.08710	0.4
305.07974	1.6
309.11087	0.6
319.62323	0.3
322.08362	0.6
323.09073	3.8
337.10785	1.8
355.13101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
52.90859	1.9
55.01869	22.9
58.06596	6.1
61.94466	2.1
65.03933	3.2
67.05480	4.4
69.39473	5.0
69.39856	4.8
71.80046	2.0
74.17409	1.9
79.05479	4.2
85.02910	5.8
91.05472	5.6
93.07036	2.1
95.04935	2.6
101.19149	2.2
105.07040	3.0
107.04942	9.2
111.04452	4.0
115.05454	5.5
117.06993	2.5
121.02853	25.8
121.03719	2.9
125.06036	2.0
130.04066	2.3
131.04947	4.6
133.06516	2.2
137.05946	4.6
145.06462	4.6
147.08101	2.2
151.03885	3.3
153.05399	2.9
161.05984	6.7
165.06998	8.2
166.07793	3.1
167.08521	4.8
173.05991	10.1
174.06876	2.8
175.07571	4.7
177.06958	2.8
178.07744	16.8
179.08519	7.6
181.06422	16.4
189.06969	5.6
190.07733	4.1
191.08519	4.7
194.07239	7.8
195.07961	6.5
196.08815	2.2
197.05864	3.2
198.06688	2.3
201.05470	18.3
202.06209	5.6
205.06471	9.3
206.05554	2.2
206.07240	11.5
207.07990	12.9
208.08763	3.0
209.05888	3.5
210.06927	2.7
218.07237	5.6
221.05939	6.3
221.09662	5.0
222.06720	4.8
223.07451	15.0
224.08240	14.2
225.08900	3.2
233.05927	2.5
234.06674	14.3
235.07494	10.7
236.08235	6.0
237.05544	3.3
237.09108	7.6
239.10675	4.5
241.08640	3.3
245.08058	18.7
249.05287	2.3
249.09183	9.5
250.06270	2.7
250.09520	2.8
251.06958	11.3
252.07780	38.5
253.08456	9.5
262.06311	6.5
263.06940	5.4
264.07788	4.0
265.08533	8.8
266.09299	6.0
267.10098	23.9
269.08099	3.2
277.08499	10.2
279.06424	6.1
279.09848	2.3
280.07285	12.0
281.08020	6.8
283.09482	4.1
293.07916	3.3
295.09637	37.2
296.10367	9.2
297.07642	3.4
305.08084	2.4
312.09793	3.4
323.09109	100.0
324.09717	9.1
327.12268	18.7
337.10699	6.9
341.24982	2.1
355.11697	53.6
355.15234	3.4
355.20959	2.8
356.11719	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	355.1174
Annotation	Viridiol
Peak:m/z	Relative Intensity
53.61856	2.7
55.01867	3.4
58.06594	7.1
59.69619	2.6
65.03944	3.8
67.05526	2.9
70.09451	6.1
78.95654	3.5
81.07050	4.4
84.20407	2.6
86.63004	3.0
95.08587	3.3
111.17071	2.6
121.89510	2.4
123.92591	3.1
135.04443	7.3
137.25934	2.2
149.02339	39.9
149.03436	4.2
152.06218	4.1
165.07005	5.4
195.07991	3.1
205.04916	5.8
215.06999	8.7
219.07973	5.6
220.55859	2.5
221.06021	4.0
223.11131	5.9
225.05583	3.1
236.04565	2.6
236.08423	4.9
237.09238	3.0
238.06235	19.9
251.07024	10.0
251.10791	13.6
261.09137	3.7
263.07132	4.3
264.07776	5.9
266.05670	7.9
268.07336	9.2
276.07907	3.5
279.06708	2.7
279.10181	13.0
281.08090	73.1
281.11642	14.7
282.08484	6.6
289.08551	4.1
295.09540	5.0
296.06750	4.3
304.07239	18.4
305.07840	4.0
307.09680	7.1
309.07617	69.4
309.11169	9.4
310.07681	4.3
319.09589	33.9
322.08337	7.2
327.12186	3.4
337.10675	100.0
338.11081	7.4
355.11655	22.6
356.91568	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92262	0.9
55.05494	0.9
58.06574	2.6
67.05492	2.5
69.03412	1.6
69.07064	0.9
69.12708	4.8
77.34220	0.7
79.05455	2.5
81.03377	1.1
81.07037	3.4
81.77063	0.9
82.52374	0.8
83.70990	0.7
89.18945	0.7
91.05439	1.5
93.07018	3.0
95.08588	3.1
97.06511	1.1
99.04466	0.9
105.06999	2.1
107.08620	1.8
109.10123	3.0
117.06966	1.0
119.08572	2.6
121.10137	2.0
133.10094	1.3
135.11682	1.4
137.05905	1.7
137.09558	1.0
145.10146	1.3
163.03911	1.0
177.12891	1.0
194.44936	0.8
201.05345	1.1
213.05460	4.3
225.27023	0.9
279.11005	30.0
287.40524	0.9
294.12433	0.8
295.09348	0.9
297.12039	1.7
307.17435	0.8
311.11237	1.7
323.09982	100.0
324.10236	6.2
337.14240	3.2
355.12482	44.7
355.24677	1.4
356.12872	2.9
362.81439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32333	0.4
55.05503	1.3
58.06590	1.3
61.67823	0.5
73.97660	0.5
83.08585	0.6
84.08170	0.7
90.81432	0.6
91.05451	0.8
93.07050	0.6
100.11224	2.2
105.07024	1.3
107.08588	0.7
111.04424	1.7
119.04924	1.8
119.08543	0.6
120.04482	1.1
121.06486	1.2
131.04912	1.3
132.04436	0.9
133.06462	1.1
136.03946	0.7
137.05959	1.2
138.05522	0.6
142.27039	0.6
146.05984	2.3
147.04378	1.3
148.03917	15.5
148.04918	0.6
148.07552	0.8
149.04669	1.7
149.05862	1.1
161.05997	1.1
162.05475	1.1
164.07083	1.0
166.04990	3.0
174.05446	4.4
175.06264	8.0
175.07584	1.0
176.07047	56.8
177.07367	2.8
182.15419	2.5
186.05458	1.0
188.07042	0.9
191.06995	0.9
201.03674	3.7
201.05389	1.3
203.05275	0.7
210.14873	3.4
213.06609	2.2
214.07335	11.6
215.07779	0.5
228.15813	1.2
234.06805	1.0
236.07014	0.8
253.09698	1.0
278.08099	1.8
280.08386	1.1
291.05161	1.1
295.10800	1.5
296.09146	1.1
306.07596	4.4
307.07330	0.5
308.07861	1.5
323.10217	100.0
324.10532	6.5
337.21124	1.3
351.46201	0.6
355.12793	34.9
355.17227	36.6
356.13214	2.7
356.17477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05499	1.4
63.39976	0.7
64.25709	0.7
67.05447	0.8
69.03417	2.1
69.19119	0.8
70.69639	1.5
74.16757	0.9
79.05446	1.2
81.07039	1.3
83.08594	1.1
85.02882	2.0
87.43679	0.9
91.05450	5.4
93.06992	1.0
95.04931	0.9
97.02867	0.8
102.04689	1.7
103.05453	2.9
105.07011	3.8
107.08603	1.0
109.06486	1.2
115.05432	2.2
117.07022	1.7
119.04929	5.8
119.08566	2.8
121.06427	1.0
121.41737	0.9
122.03573	1.9
123.04474	1.0
127.03893	2.5
130.04118	3.8
131.04883	1.2
131.10732	0.8
133.02809	1.1
133.06450	2.1
137.05951	21.2
144.63823	0.9
145.06493	1.2
147.04390	6.4
149.05969	2.5
150.06665	1.4
151.03848	1.4
151.07495	1.0
158.03615	2.5
160.03955	1.1
160.05173	1.4
161.04344	0.9
161.04578	0.9
161.05951	6.7
162.06750	6.1
163.03998	0.9
173.05928	3.8
175.03844	3.1
175.07326	3.1
177.05466	2.9
178.07675	1.8
180.07816	1.2
182.15419	2.9
185.04120	1.2
185.05875	0.9
186.03099	3.0
188.04610	1.6
189.05400	1.4
189.06931	1.8
191.06921	1.2
191.08501	0.9
192.06538	1.6
193.04922	40.7
193.06653	1.8
193.08342	5.7
201.05432	31.8
202.05769	1.4
203.06966	2.8
205.06447	3.8
206.07137	2.3
207.06465	2.5
210.14844	3.8
213.05386	2.0
217.06448	2.0
218.07118	1.2
221.06026	1.2
222.06602	1.6
223.07466	1.1
225.80939	0.9
231.06459	4.1
233.05904	2.7
234.06740	8.2
235.07407	2.2
237.09000	1.2
245.05975	2.0
246.06674	1.2
247.07655	0.9
249.05420	0.9
249.09048	3.3
250.06329	1.1
250.09534	1.1
251.06969	1.9
261.05469	1.1
262.06235	4.3
263.06824	2.0
264.07590	1.2
265.08450	3.0
266.09122	1.2
273.05472	1.4
276.07440	1.0
277.08481	6.9
278.05795	1.4
279.06421	1.9
280.07123	0.9
290.05618	2.7
291.06100	1.0
292.07288	2.1
293.08005	1.7
294.08835	1.6
295.09406	2.3
305.07983	7.9
307.09772	1.9
309.11093	2.2
322.08325	2.3
323.09103	13.7
324.09314	1.5
325.10565	1.6
337.10614	8.2
337.20895	1.0
338.10718	1.0
355.13449	100.0
355.17307	30.4
356.14038	6.0
356.17715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83591	0.7
54.36258	0.7
56.04995	0.7
64.50594	0.6
64.70238	0.6
67.01843	1.1
69.93655	1.5
69.94002	0.9
79.05436	0.8
85.02869	2.2
86.07511	0.6
91.05457	4.1
94.04180	0.8
94.30766	0.6
95.04953	0.9
97.02850	1.1
98.06082	0.7
98.22740	0.8
102.04636	1.6
103.05449	1.2
105.07001	1.2
107.08523	0.6
110.87017	0.6
115.05405	1.3
117.24648	0.6
119.04901	2.7
122.03590	1.4
123.04372	0.9
130.04074	1.7
130.06506	11.0
131.04912	1.0
133.02719	0.8
133.06439	2.4
137.04941	0.9
137.05946	11.1
143.04890	0.8
144.08034	1.0
145.06416	1.0
147.04376	3.9
149.05936	1.2
150.06734	0.9
151.03802	1.6
153.01707	1.0
158.03561	1.1
161.05991	3.2
162.06706	3.2
172.07487	1.8
173.05945	2.3
175.03879	2.2
175.07277	35.5
176.07053	8.3
177.05489	0.8
178.07706	1.0
185.04211	9.2
186.03094	1.7
188.04576	0.9
189.05435	1.6
189.06950	1.5
190.07732	0.9
193.04939	80.3
193.08322	100.0
194.05356	3.1
194.06923	0.7
194.08687	3.8
201.05424	17.5
203.05394	0.8
203.07066	2.2
205.06482	1.5
206.07214	1.3
207.06483	1.4
213.05371	1.1
217.06517	1.2
218.08182	1.6
221.05968	1.0
222.06781	1.0
231.06439	1.4
233.05846	1.6
234.06767	2.8
235.07442	1.1
236.08421	0.8
237.09081	0.9
245.05959	0.8
246.06776	0.8
249.09146	1.2
250.06184	1.1
251.06767	1.5
262.06165	4.3
265.08566	1.1
273.05307	0.7
277.08484	3.7
278.05795	0.7
279.06442	1.0
290.05722	2.0
293.07867	0.7
302.10828	0.7
305.08084	4.2
307.09589	1.1
309.11108	1.1
320.10815	0.8
322.08270	1.3
323.09042	7.0
325.10626	1.8
337.10474	3.2
355.13580	55.4
355.17114	4.4
356.13992	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1513
Annotation	Thr-Ile-OH
Peak:m/z	Relative Intensity
51.21785	1.2
58.06585	2.9
70.25317	2.3
70.25658	2.5
79.05496	1.5
91.05476	4.7
92.05823	1.8
95.08607	1.7
123.39596	1.6
127.97730	1.4
153.58438	1.5
205.04903	7.8
215.67186	1.4
254.46213	1.4
333.62067	1.4
337.68936	1.5
355.15125	100.0
356.15439	6.9
356.27716	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.2
58.06574	1.2
67.05499	1.2
69.03406	1.2
78.04698	2.2
79.05471	3.5
81.07045	1.9
85.06532	1.3
91.05459	12.8
92.12997	1.0
93.07064	1.4
95.04943	1.8
95.08598	1.4
97.06537	1.2
98.22714	2.8
102.04663	1.0
103.05452	3.4
104.06231	2.8
105.04481	0.9
105.07027	11.6
107.04948	3.9
107.08562	2.2
111.04405	0.8
115.05439	10.4
117.06992	7.4
118.04143	1.2
119.04939	4.3
119.08559	8.0
121.06490	1.5
121.10147	1.2
122.03691	0.8
123.04416	5.2
124.05182	2.2
128.06212	3.7
129.06995	6.6
130.04062	1.3
131.04929	4.2
132.05693	8.3
133.02875	1.2
133.06488	6.9
133.59361	0.8
135.08008	1.0
137.05984	9.4
141.06975	14.8
143.04948	1.0
143.05966	1.5
145.06487	4.4
147.04387	3.6
147.08025	22.2
149.05968	2.4
150.06641	1.2
151.03920	2.0
151.07550	1.7
152.04742	1.5
152.06096	1.0
153.05350	1.0
157.06464	1.9
158.03610	2.0
158.07263	1.5
159.07986	1.6
160.05180	6.5
161.05948	17.9
162.06715	1.4
165.07014	2.6
167.07022	61.8
168.07379	2.0
169.06458	19.9
170.07176	1.0
173.05971	2.7
174.06874	1.4
175.07521	100.0
176.04634	1.3
176.07845	3.6
177.05420	2.1
177.06865	1.2
178.06372	0.9
178.07724	4.5
179.07100	1.3
179.08527	2.2
180.05632	1.9
181.06467	2.4
185.05928	1.7
186.03088	2.0
186.06718	2.7
186.92784	0.9
187.07558	3.1
189.07092	5.1
189.09091	4.4
191.07004	3.9
191.08554	1.9
193.08571	28.8
194.07281	1.7
195.08026	2.8
201.05443	19.5
201.09064	7.6
202.07800	2.2
205.04889	2.2
205.06499	4.1
206.07249	5.8
207.08035	5.2
208.05148	1.7
209.05966	2.5
209.09584	1.0
210.06747	0.9
211.07484	2.1
217.06458	2.1
218.07239	1.9
219.08070	3.8
219.13902	0.9
220.08740	1.3
221.05899	2.5
221.09560	2.5
222.06671	2.7
223.07356	4.3
224.08255	3.4
231.08107	2.1
233.05943	2.4
234.06703	7.4
235.07556	5.9
236.08127	1.7
237.05403	1.6
237.09061	2.8
238.06184	2.0
239.07047	1.6
239.10695	1.9
245.05853	1.7
247.07487	2.7
248.08287	1.5
249.05275	1.0
249.09030	3.8
250.06189	2.4
251.06985	9.4
252.07735	3.1
253.08565	1.6
259.07504	2.2
262.06277	5.1
262.10068	1.2
263.07010	3.5
263.10480	1.3
264.07535	1.6
265.05740	1.0
265.08517	5.7
266.09430	2.2
267.06992	1.7
267.10095	5.9
276.07733	2.4
277.08582	5.6
278.05151	0.8
278.09113	1.3
279.06476	5.5
279.09918	2.0
280.07230	2.8
280.10666	1.0
281.07916	2.0
282.08820	1.4
283.09631	1.0
290.05634	1.6
291.10071	2.7
292.07190	1.7
293.07983	2.6
294.08826	2.9
294.12338	0.9
295.06232	1.6
295.09628	14.2
295.12955	1.9
305.08215	6.0
307.06369	1.3
307.09509	2.0
308.10394	1.1
309.11063	5.8
309.19080	0.9
310.11557	1.2
311.09320	1.1
311.12836	1.3
322.08200	1.2
323.09094	52.3
323.12537	3.0
324.09656	6.1
324.12848	1.4
325.10770	5.4
337.06842	1.3
337.10620	8.4
355.07092	1.2
355.08063	0.9
355.11591	23.6
355.15460	21.1
356.11761	1.7
356.15579	1.7
356.76926	0.9
360.19287	1.0
369.34854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1723
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
57.02809	0.4
58.06596	0.9
67.05495	0.9
69.03426	0.5
69.85729	1.0
69.86101	0.8
71.04971	0.5
76.59820	0.4
79.05478	2.0
81.07037	1.4
81.98946	0.5
83.04966	0.5
91.05455	3.1
93.07014	2.5
94.04169	0.5
95.04974	0.8
95.08608	0.8
97.06503	0.5
97.43514	0.4
102.04633	0.4
103.05474	0.8
103.12199	0.5
105.07010	2.1
107.04922	0.9
107.08604	1.2
109.06515	0.7
109.10120	0.6
111.04427	0.6
112.09903	0.4
115.05457	0.8
117.07029	0.9
119.04898	1.1
119.08620	0.6
121.10144	2.0
122.03606	0.6
124.05267	0.7
129.06995	1.3
131.04912	1.0
133.06525	1.1
133.10092	0.6
137.05963	11.4
145.06497	0.9
146.03645	1.1
147.04424	1.4
147.11746	0.5
149.05997	0.6
151.03888	1.1
151.07526	1.1
160.05202	1.3
161.05954	7.8
161.09605	0.6
162.06789	0.9
163.07538	1.1
167.07057	0.5
171.04449	0.6
173.05975	1.2
175.03899	1.9
175.07510	4.8
177.05495	0.7
178.07736	0.7
188.04706	0.9
189.05447	1.2
189.07069	0.9
189.09111	1.9
191.08572	0.9
193.08549	0.7
193.12062	0.9
199.03967	0.5
201.05426	10.5
202.05608	0.5
203.05252	1.4
203.07042	2.0
205.04861	1.0
205.06599	1.0
206.07262	1.4
207.06548	1.3
208.08900	0.6
213.05383	0.7
217.06512	0.7
218.07195	1.2
219.08090	1.1
220.09000	0.5
221.06073	0.7
221.09592	0.7
222.06773	0.6
231.06355	2.2
233.05980	0.9
234.06746	3.2
235.07478	1.9
236.08188	0.7
237.08932	0.6
245.05898	1.1
247.07443	0.7
248.08319	0.5
249.05421	0.5
249.09155	3.0
250.06291	0.5
251.06993	1.2
251.10716	1.2
260.78702	0.5
261.05365	0.6
261.09103	0.5
262.06268	2.5
263.07065	1.3
264.07816	1.0
265.08643	0.9
267.10181	0.6
273.05368	0.6
277.08560	5.2
277.11603	0.8
279.06671	1.1
279.10126	2.1
280.07098	0.6
281.07986	0.7
283.09677	0.5
290.05688	1.9
291.06772	0.6
291.10126	0.8
292.07425	0.6
293.08145	1.0
295.09518	1.5
296.10428	1.2
305.08054	3.6
305.11404	0.8
307.06168	0.6
307.09595	1.1
309.10999	2.8
311.12750	3.4
322.08243	1.1
323.09149	3.2
323.12531	0.9
325.10605	1.3
337.10623	6.2
337.14371	1.0
338.10721	0.7
355.07800	2.5
355.12109	3.6
355.17239	100.0
356.17673	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	355.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49630	0.3
54.80336	0.3
55.05504	1.6
57.07074	0.4
58.06586	1.4
60.45609	0.3
64.85870	0.3
65.31919	0.3
67.05490	0.8
69.03432	0.5
69.07056	1.0
71.04951	0.4
79.05466	0.5
79.21434	0.3
81.03399	0.5
81.07042	0.7
82.06547	0.4
83.04979	0.8
83.08604	1.0
84.08142	0.4
85.06530	0.4
86.09723	0.8
93.07038	0.7
95.08594	0.6
97.06550	0.4
99.04442	0.3
100.07611	1.3
100.11257	2.0
105.07014	0.7
105.07662	0.3
107.08608	0.5
111.04436	1.6
112.07588	0.7
115.07615	0.3
119.08543	0.3
128.07069	1.3
131.04900	0.5
132.04440	1.1
133.10143	0.5
135.08028	0.4
137.05939	0.8
140.07076	0.8
143.06949	0.5
146.83823	0.3
157.08614	0.4
158.08931	0.5
158.93771	0.3
161.05957	0.6
163.03874	0.5
164.06992	0.4
175.07538	0.5
176.07074	0.6
177.03717	0.5
182.15402	4.2
193.12135	0.4
201.03682	3.6
201.05489	1.0
203.05249	1.5
207.24380	0.3
210.14880	7.8
214.07428	0.5
216.98181	0.4
227.17567	0.4
228.15932	1.5
249.09073	0.5
265.08572	0.4
280.10873	0.5
295.09979	0.3
309.21750	0.4
311.13052	0.4
323.10303	1.6
337.21121	2.6
349.39682	0.4
355.17224	100.0
356.11115	0.6
356.17657	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	355.1722
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.38848	0.5
53.03935	0.4
55.01876	0.6
55.05497	1.2
58.06581	1.1
67.05495	1.2
68.01074	0.4
69.03418	0.7
69.07052	0.6
70.06581	0.6
71.44128	0.4
73.47110	0.4
79.05470	0.7
81.03405	0.8
81.07035	1.3
82.25207	0.4
83.04966	0.9
85.02921	0.4
86.09683	1.1
91.05455	0.9
93.07028	1.4
95.04940	0.5
95.08592	0.6
96.08092	0.4
97.02885	0.7
97.06496	0.5
100.11216	0.5
105.07015	1.3
107.04948	0.6
107.08581	1.2
109.02862	2.5
109.10132	1.3
111.04446	1.2
114.09159	0.8
119.04987	0.4
119.08555	1.2
121.10097	0.7
121.32003	0.4
125.09632	0.5
128.07050	0.5
129.07016	1.0
132.04433	2.4
133.06540	0.4
133.10107	0.9
135.04343	0.7
136.24171	0.4
137.05978	1.7
137.09596	0.6
141.11589	0.4
147.04442	0.4
147.11639	0.7
155.04860	0.4
157.06464	0.9
161.05939	0.5
163.03882	1.2
163.07578	0.5
164.07069	1.1
167.07146	0.4
175.07542	0.5
175.14827	0.8
178.07756	0.4
183.04456	0.5
185.05948	0.8
187.07472	0.5
189.09189	0.4
193.12109	0.6
200.07080	0.8
201.05402	1.1
202.08560	1.1
203.05269	1.5
210.14841	0.7
214.07228	0.6
230.08156	1.6
246.07628	0.5
277.08472	0.5
293.08127	0.8
295.09732	0.5
310.10757	0.5
311.09161	0.6
311.12619	0.9
323.10037	1.2
348.01880	0.4
355.17212	100.0
356.11255	3.3
356.17700	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	355.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38406	0.4
54.74356	0.4
55.15829	0.4
56.17287	0.3
58.06572	0.6
69.61195	1.7
75.62981	0.4
85.02927	0.4
91.05421	0.4
105.07013	0.5
137.05908	0.7
140.00813	0.4
148.03951	0.7
161.05963	0.6
176.07036	1.9
201.05449	1.1
203.05196	0.7
214.07379	1.4
250.23134	0.4
311.37811	0.4
323.10193	5.3
355.17221	100.0
356.17694	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	355.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06567	0.6
71.05619	1.0
79.05488	0.9
81.07026	0.6
86.09684	0.8
90.45560	0.6
91.05465	4.2
93.07064	0.8
94.04185	0.7
94.48782	0.6
95.04940	1.2
103.05487	1.0
105.07008	2.1
107.04961	1.1
115.05447	1.1
119.04930	4.2
121.10102	0.6
122.03622	0.9
135.04344	0.7
137.05957	12.2
143.04936	0.8
145.06479	0.9
147.04387	2.8
149.05994	1.2
150.06796	1.0
158.03606	1.8
161.05994	2.0
162.06786	1.7
167.07072	0.6
173.06012	1.9
175.03906	3.8
175.07509	1.5
177.05489	1.0
178.07765	1.3
180.07870	1.0
186.03090	2.0
189.05450	0.8
189.07111	1.9
195.07983	0.7
201.05437	28.7
202.05824	1.4
203.06943	0.9
205.06508	2.4
206.07137	2.0
213.05476	0.8
217.06544	0.8
221.06168	0.7
231.06657	0.8
233.05939	1.3
234.06714	4.0
235.07472	0.9
235.34619	0.6
237.09181	0.7
245.05933	0.7
247.07501	1.1
249.05478	0.8
249.09135	1.8
250.06194	1.1
261.05423	0.6
262.06201	2.1
263.07043	1.4
265.08469	1.6
273.05307	1.1
276.07690	0.8
277.08493	2.9
290.05780	1.6
292.07397	1.3
293.07986	1.8
294.08801	0.8
305.08072	5.3
306.08505	1.3
307.09644	1.8
309.11026	1.1
323.09106	2.0
325.10617	1.5
337.10562	4.2
355.02505	2.0
355.17221	100.0
356.17529	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	355.1903
Annotation	(-)-Cyclogalgravin
Peak:m/z	Relative Intensity
58.06373	0.3
58.06592	3.0
66.09228	0.4
67.05463	0.6
70.41814	0.8
71.27391	0.4
77.03909	0.5
77.80727	0.4
77.96908	0.4
79.05467	1.4
80.06248	0.8
90.04692	0.7
91.05455	5.8
93.07018	1.8
95.04959	0.9
95.08592	0.4
103.05443	1.4
105.03413	0.5
105.07016	3.0
106.04158	0.6
107.04929	5.8
107.08551	1.1
108.05694	2.3
109.06489	1.7
115.05418	1.2
117.07001	1.6
119.06010	0.5
119.08533	0.7
121.06481	4.6
122.07236	0.6
123.08048	2.1
128.06178	0.6
129.06950	1.4
131.04915	2.0
133.06445	2.7
134.07211	0.5
135.04396	4.6
135.08041	5.3
136.05173	17.3
137.05960	8.1
139.07524	0.7
143.04892	1.1
145.06430	1.9
146.07228	1.5
147.08009	5.9
149.05949	1.0
149.07034	0.4
149.09593	0.4
150.06732	6.5
151.07507	100.0
152.07849	2.9
153.09003	0.7
157.06445	2.2
158.07239	1.1
159.08000	1.4
160.05138	0.5
160.08821	1.1
161.05948	0.8
161.09561	0.8
162.06706	0.9
163.07497	3.6
164.08307	3.0
165.09082	23.8
166.09616	1.2
171.08000	1.5
172.08755	1.3
173.05969	1.2
173.09572	0.7
174.06746	1.6
175.07506	4.0
175.11128	0.4
176.08307	0.8
177.09064	8.8
179.10619	1.5
186.10397	0.7
187.07471	1.8
188.08296	3.8
189.09074	7.2
189.10793	0.5
191.10625	3.4
201.09077	3.1
202.09836	1.3
203.10619	5.5
215.10579	0.6
217.12228	2.3
257.11133	2.0
257.13525	0.4
259.11090	0.5
279.09952	0.6
291.13705	0.7
292.14371	0.5
308.14127	0.7
309.14767	1.4
323.16379	3.7
324.16968	0.8
325.14551	0.4
340.16608	29.7
341.17062	2.8
353.17233	0.5
355.14209	1.3
355.18811	28.9
356.14917	0.7
356.19022	2.6
357.04422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39899	4.3
55.01873	9.2
55.05511	9.5
57.07050	4.1
58.06593	43.6
67.05482	21.9
69.07043	9.0
73.04739	8.0
74.85862	4.1
79.05488	27.0
81.07047	100.0
91.05856	23.1
93.07024	15.7
95.04934	4.7
95.08581	63.0
97.06499	31.9
98.97541	5.0
99.08063	4.8
105.06998	12.0
112.95480	4.5
119.08575	8.9
121.10122	5.6
123.08054	61.1
133.10120	6.8
135.11681	5.6
141.09073	60.5
161.13254	24.6
170.96391	5.4
175.14052	5.0
179.14265	10.3
197.15425	10.7
222.06012	4.8
268.97830	7.1
273.46283	6.0
285.00995	13.4
294.12561	10.0
311.09204	5.1
321.97882	4.9
355.06723	6.9
355.14139	9.9
355.18619	13.0
356.15009	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	355.2474
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
53.03934	1.9
55.01851	2.3
55.05500	15.7
57.03427	2.1
57.07068	4.4
58.06583	2.2
59.04978	2.5
65.03936	2.0
67.05492	52.0
69.03414	12.0
69.07053	31.6
71.04980	12.1
79.05032	1.8
79.05474	24.8
81.03408	1.0
81.07040	100.0
81.34431	0.8
82.07362	2.4
83.04957	5.8
83.08598	5.5
85.06538	9.3
91.04922	1.8
91.05457	20.4
93.07027	38.5
94.07328	1.3
95.04958	9.0
95.08589	36.7
95.09207	1.8
96.08928	1.1
97.02859	1.3
97.06504	4.0
97.10148	4.5
99.08086	2.2
101.06013	1.6
103.05408	1.7
105.04514	2.1
105.07007	28.7
107.04925	3.1
107.08573	54.4
108.08891	2.3
109.06490	8.7
109.10136	79.1
110.10470	4.1
111.08044	2.8
111.11755	0.9
113.06002	2.4
113.09619	5.4
115.05429	1.3
117.06990	4.7
119.04925	1.9
119.06074	1.3
119.08563	19.9
121.06477	7.3
121.10124	29.0
122.03580	1.2
123.04422	1.4
123.08017	4.4
123.11684	50.6
124.12022	2.0
124.51985	1.0
125.06030	1.0
125.09602	11.9
126.09937	0.9
127.07545	1.8
127.11244	1.9
128.06172	1.8
129.06947	2.2
130.04100	0.9
131.04880	1.5
131.08549	10.8
132.05701	1.2
133.06467	2.2
133.10095	23.5
135.04372	1.0
135.08046	7.0
135.11662	11.7
137.05948	11.6
137.09583	13.5
139.11172	2.3
141.12708	3.0
142.07756	0.9
143.08493	3.9
143.10614	1.2
144.09375	1.1
145.06396	1.4
145.10088	10.5
146.07196	1.1
147.04378	2.3
147.08020	6.0
147.11659	11.1
149.05954	2.2
149.09581	12.6
149.13225	3.8
151.03891	2.0
151.07501	2.8
151.11148	20.5
153.09122	1.2
153.12662	1.3
155.08545	1.3
155.10574	1.4
157.10106	5.1
159.08011	2.8
159.11661	10.5
161.05937	4.4
161.09573	12.1
161.13232	3.5
163.07498	2.2
163.11148	1.9
163.14857	1.3
165.09084	8.1
165.12741	1.6
167.07104	1.7
167.10637	5.3
169.12209	25.9
171.11713	2.5
173.05952	1.3
173.09668	1.7
173.13225	5.9
175.03900	2.0
175.07538	5.4
175.11134	8.9
175.14769	3.6
177.05580	1.7
177.09094	6.6
177.12770	1.1
177.16280	1.5
178.07767	1.2
179.10648	8.1
183.11609	1.4
183.13782	2.6
185.09636	1.4
185.13226	4.0
187.11409	1.2
187.13261	5.4
187.14772	1.9
189.09090	1.7
189.12746	2.8
189.16402	1.3
190.02719	1.0
191.10646	3.8
191.14258	1.3
193.04999	1.1
193.12193	3.2
194.23518	1.1
195.11763	1.1
199.14795	3.1
201.05415	13.6
201.12708	2.3
201.16362	1.8
203.14259	1.4
205.04865	2.4
205.06592	1.4
205.12193	1.0
206.07027	1.4
207.08058	1.9
209.11548	1.2
209.13274	1.5
213.16415	2.0
215.17856	1.6
217.12312	1.0
217.15863	1.2
219.13718	3.0
221.15408	1.2
222.06551	1.1
223.07516	1.5
225.16313	1.3
227.14224	1.6
231.06306	1.3
233.05936	1.9
233.15311	2.0
234.06714	3.5
235.07478	1.4
237.09131	1.3
241.19382	1.4
245.15401	1.4
250.06154	1.5
251.07123	1.5
251.16469	1.9
255.21071	3.0
259.20499	2.0
262.06168	1.7
263.06873	1.9
265.08746	1.9
265.19492	1.2
269.07971	1.3
273.22049	6.0
274.22366	1.2
277.08521	2.8
277.12131	1.0
279.09985	1.8
283.20532	4.1
285.10846	1.2
286.74460	0.9
289.21597	1.6
290.05621	1.2
291.23083	6.1
293.21024	2.7
293.24283	1.1
295.09515	1.6
295.22348	1.1
301.21564	15.2
302.21820	1.7
305.07898	3.4
305.11209	1.0
307.09595	1.4
311.12860	1.6
319.22617	18.1
320.22897	1.9
322.08383	1.1
323.09021	3.0
337.10477	3.5
337.14270	1.5
337.23645	27.1
338.23871	2.2
355.11661	6.8
355.15228	2.0
355.24719	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	355.2475
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
54.07065	3.2
55.01850	4.2
55.05504	13.6
58.06591	7.0
65.03915	3.4
67.05495	45.7
69.03423	13.3
69.07056	22.0
69.15746	22.3
71.04977	16.7
79.05480	22.6
79.18494	3.3
81.07049	100.0
83.08603	4.7
84.66460	3.1
85.06527	9.5
91.05468	20.7
93.07045	34.3
95.04974	8.8
95.08593	32.5
97.06498	5.8
97.10163	5.5
98.23289	12.2
105.04510	4.3
105.07026	29.2
107.04948	5.5
107.08574	52.0
109.06501	6.9
109.10144	76.7
110.10474	3.7
119.08554	20.2
121.06525	6.0
121.10133	27.0
123.08070	5.4
123.11700	42.6
125.09621	12.7
127.11153	3.8
129.07085	4.0
131.08551	13.0
133.10110	22.4
135.08044	7.1
135.11708	11.5
137.05949	10.1
137.09599	9.4
139.11195	5.9
143.08516	8.1
145.10106	14.0
147.08046	4.4
147.11673	14.8
147.56673	3.4
149.09595	12.2
149.13229	4.1
149.90787	3.2
151.03859	3.4
151.11197	21.3
157.10127	7.1
157.76651	3.2
159.11659	10.3
161.09601	10.7
161.13261	4.8
163.11061	4.1
165.12735	3.9
167.10571	4.7
167.76357	2.9
169.12231	20.7
171.11603	5.7
173.13329	5.2
175.11119	6.8
175.14848	3.2
177.09096	6.6
179.10640	7.2
181.65253	3.5
185.13232	4.4
187.13258	3.4
187.14926	3.8
189.12614	4.9
191.10765	4.5
193.12288	4.4
200.23236	3.1
201.05385	6.4
201.12840	4.4
205.04926	12.5
205.06635	4.8
211.81891	3.8
219.13663	3.7
235.07457	5.4
251.07167	4.2
252.07838	4.6
253.08571	3.4
277.08560	4.5
283.20563	7.8
291.23145	4.8
295.09647	6.9
301.21545	14.0
311.09094	3.8
319.22635	24.3
323.09210	19.7
324.09457	4.2
331.04745	3.7
337.10608	6.2
337.23645	26.1
355.11450	22.5
355.24902	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	355.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	56.7
67.05484	15.1
69.07082	20.7
79.05488	12.0
81.07037	14.5
86.09692	100.0
88.85405	13.7
91.05430	15.1
93.07052	25.5
95.08593	14.1
105.07008	31.8
119.08588	17.7
126.96355	13.6
132.10225	29.4
133.10110	27.6
151.11166	40.0
209.97145	14.1
230.56299	13.6
278.21240	30.7
280.33041	15.4
294.12637	16.0
306.20612	17.3
324.21716	53.2
375.49323	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	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03937	1.7
55.01863	3.0
55.05505	37.9
57.03432	8.1
57.07070	13.5
58.06600	2.2
64.10829	1.5
65.03926	2.3
67.05495	86.7
68.05811	2.4
69.07060	50.0
69.33212	1.5
70.06599	4.2
70.13311	2.5
70.13647	2.5
71.04986	2.7
71.08624	6.7
72.12949	1.4
73.02911	1.6
75.04514	1.5
79.05482	27.8
81.07047	100.0
83.04977	2.1
83.08607	34.7
85.06535	4.4
85.10186	2.0
88.07629	6.2
91.05466	25.5
93.07032	33.9
93.07599	2.5
93.13748	1.5
95.08593	90.0
97.06506	11.5
97.10154	22.1
99.08082	3.6
103.03929	1.5
105.07018	17.2
106.08635	2.6
107.08573	22.6
109.10142	43.1
111.08064	4.2
111.11712	7.1
113.09632	2.9
119.08567	14.6
121.10117	29.1
122.10439	1.9
123.08085	2.5
123.11684	25.4
125.09618	1.8
125.13296	2.2
129.05458	2.5
133.10112	22.4
135.11703	16.2
137.09602	2.0
137.13199	8.7
139.11153	2.0
139.14775	1.4
141.12752	3.3
147.11658	11.5
149.13226	14.1
150.12213	1.4
151.11186	2.6
151.14803	7.2
161.13255	12.6
163.14806	12.9
165.12721	3.4
165.16393	6.6
167.14345	2.2
175.14810	10.9
177.16293	2.3
179.17932	5.0
189.16388	5.7
193.15869	1.8
203.17940	2.2
215.57823	1.7
217.19516	1.7
221.22557	1.4
235.54807	1.4
245.22626	49.9
245.25095	3.1
246.22978	3.3
263.23679	48.2
264.24103	3.2
265.25186	1.9
281.24722	2.1
337.27316	31.3
338.27744	3.5
338.34082	2.3
355.28558	6.4
355.33566	1.4
356.35104	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05256	2.5
55.05506	45.9
57.03167	3.0
57.03431	31.6
57.07069	65.6
58.06589	2.1
60.55068	1.8
67.05156	3.6
67.05496	60.0
68.05812	2.2
69.07059	82.7
70.06574	3.4
71.04970	4.0
71.08625	11.9
79.05476	13.3
81.07046	73.8
83.08610	76.9
85.06527	5.0
85.10172	100.0
88.07627	4.5
89.94775	1.9
91.05477	10.8
93.07042	19.4
95.04925	2.0
95.08595	91.8
96.08954	2.2
97.06504	7.6
97.10158	63.9
99.08081	4.9
101.06017	2.5
101.09646	7.3
104.01939	1.7
105.07036	6.1
105.99594	2.2
106.08646	4.5
107.08594	12.6
109.10143	37.6
111.08045	11.5
111.11713	28.7
113.09629	77.0
117.42722	2.3
119.08570	6.6
120.08908	1.9
121.10109	11.0
123.11703	16.9
123.37331	1.6
124.08436	1.8
125.09659	3.3
125.13268	7.4
127.11168	3.0
129.09157	2.0
133.10118	13.4
135.11694	16.1
137.09572	3.9
137.13298	9.8
139.11131	3.2
141.09084	2.7
141.12729	8.1
147.11681	10.4
149.13190	8.9
151.11160	5.3
151.14815	6.3
153.12730	3.7
161.13219	13.0
163.14848	9.7
163.15971	2.0
165.12735	6.4
165.16356	6.8
167.14293	4.6
169.10834	1.8
169.12288	2.3
169.15829	2.3
175.14818	7.5
177.16415	2.1
179.14284	6.3
179.17882	4.3
181.15894	6.3
183.13951	2.2
189.16368	5.5
193.15831	7.7
207.17526	3.8
227.23920	2.0
235.24150	6.7
245.22618	20.9
251.05516	1.7
253.25201	21.2
263.23697	19.2
281.24808	9.0
299.25775	41.4
300.26178	3.1
337.27200	2.3
355.28366	86.2
356.28644	6.9
356.35184	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
52.54189	3.1
55.05500	26.6
57.03432	10.4
57.07069	10.2
58.06586	11.0
67.05499	82.9
69.07058	46.4
69.72530	8.6
70.06583	3.9
71.08610	3.4
79.05489	26.5
81.07047	100.0
81.97903	3.3
82.07341	3.6
83.04955	3.9
83.08598	29.0
88.07612	6.5
91.05449	21.8
93.07034	33.2
95.08590	81.6
97.06527	11.5
97.10148	27.8
99.08090	3.8
105.07002	18.6
107.08606	20.7
109.10159	43.5
111.08080	6.2
111.11710	7.1
119.08574	11.3
121.10136	27.5
123.11697	21.2
123.12414	3.4
125.09649	4.4
127.67995	3.7
133.10117	22.5
135.11699	12.4
137.09657	3.8
137.13237	10.1
137.88039	3.3
144.49442	3.4
147.11667	14.7
149.13281	12.0
151.11172	4.3
151.14822	5.5
161.13229	18.2
163.14807	17.4
165.16393	10.0
175.14844	11.4
179.17769	3.8
189.16339	5.0
201.44205	3.9
245.22614	41.0
263.23663	44.6
317.17831	3.7
337.27448	31.9
337.31119	5.2
355.18732	17.9
355.28964	6.8
355.33911	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03930	2.7
55.05259	2.6
55.05504	37.9
55.52380	1.8
57.03430	17.7
57.07071	67.0
58.06604	10.8
59.04974	4.3
67.05162	2.9
67.05498	46.6
69.06704	4.0
69.07059	41.1
69.19318	3.2
69.19723	8.7
70.06572	7.7
71.08624	80.2
72.08899	2.6
77.16264	2.1
77.45834	2.1
79.05469	10.3
81.07047	97.9
83.08612	35.1
85.06532	4.2
85.09695	3.6
85.10173	43.9
88.07596	11.7
91.05475	5.7
93.07029	14.6
95.04936	2.0
95.08594	100.0
96.08928	1.9
97.06526	3.2
97.10155	32.9
102.09187	2.0
105.06973	4.4
106.08652	5.4
106.17315	2.0
107.08543	4.6
109.06494	2.9
109.10136	35.8
111.08038	5.2
111.11706	13.9
115.07523	1.9
119.08531	7.5
121.10134	6.1
123.08070	2.6
123.11692	16.2
125.09562	2.7
125.13248	6.8
133.10158	10.0
135.11652	5.2
137.09633	2.3
137.13216	13.6
139.11221	2.0
141.12721	2.0
147.11696	6.0
149.13228	5.8
151.11191	3.4
155.14285	56.6
157.97133	1.8
161.13263	4.1
163.14833	4.3
165.12688	4.8
165.16359	3.2
175.14822	5.4
179.14247	2.2
179.17976	3.0
193.15884	2.9
197.80966	2.2
219.26512	1.9
235.24219	5.6
245.22630	16.6
253.25197	12.8
263.23715	15.4
281.24774	12.6
295.20837	2.1
299.25757	14.6
324.70914	2.2
338.34033	6.3
355.11166	2.7
355.15219	11.3
355.24506	3.0
355.28351	74.7
355.41232	4.2
356.28607	4.8
356.35162	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49286	1.3
53.03935	1.7
55.05256	2.3
55.05511	37.8
57.03435	19.3
57.07074	89.4
59.05012	3.0
62.44557	1.2
65.03934	2.2
67.05502	55.1
69.06703	2.5
69.07067	44.7
69.73210	3.5
69.73555	1.6
70.06589	3.1
71.04999	3.4
71.08627	91.3
71.62852	1.4
73.06556	2.4
79.05495	12.6
81.07053	100.0
82.07378	2.4
83.04977	2.3
83.08617	35.1
85.06539	3.8
85.10184	21.8
88.07591	1.2
91.05473	8.3
93.07041	11.4
95.08602	83.9
97.06513	2.4
97.10167	33.2
99.08060	1.9
102.09177	1.4
105.06972	7.0
107.08588	11.4
109.09415	2.0
109.10153	35.6
111.08065	4.1
111.11713	12.6
119.08571	7.7
121.10143	9.4
123.08092	2.1
123.11693	25.1
125.09638	2.8
125.13260	4.2
133.10147	7.8
135.11681	4.9
137.09612	3.5
137.13252	8.6
139.11208	1.5
141.12741	25.4
147.11671	5.5
149.13249	5.5
151.11186	5.6
151.14841	1.8
155.14297	25.1
156.16557	1.5
161.13240	5.3
163.14816	4.5
165.12766	3.5
165.16388	2.8
167.14285	2.1
174.97722	1.2
175.14835	5.4
179.14307	4.4
179.17981	2.7
181.15918	1.8
183.17465	1.6
189.16383	3.0
193.15836	2.3
235.24213	4.4
245.22630	14.6
253.25266	12.2
263.23666	15.1
281.24805	8.7
299.25830	17.2
355.11093	1.6
355.28384	64.3
356.28812	6.0
356.35208	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	355.2837
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03928	2.3
55.05505	51.8
57.03434	19.2
57.07069	58.4
58.06583	3.3
60.99046	1.3
64.21684	1.6
67.05495	72.0
67.72812	1.8
68.05810	1.8
69.07056	60.9
69.32436	1.4
71.04972	4.7
71.08624	59.2
73.06528	1.8
79.05486	18.9
81.07045	100.0
83.04963	2.3
83.08609	52.8
85.06533	4.3
85.10172	17.2
91.05441	12.4
93.07031	16.6
95.04961	2.1
95.08593	92.7
96.08910	2.0
97.06528	6.9
97.10157	40.7
99.08047	2.5
105.07014	9.8
107.08572	13.5
109.10134	41.9
111.08047	5.6
111.11707	18.6
117.77193	1.4
119.08573	10.7
121.10131	11.1
123.08035	3.2
123.11706	20.6
125.09621	1.9
125.13225	5.6
127.11147	3.2
133.10095	13.1
134.30276	1.5
135.11662	9.0
137.09592	6.5
137.13235	8.5
139.11113	2.7
139.14734	1.6
141.09062	1.6
141.11876	1.4
141.12758	13.8
147.11659	11.4
149.13239	4.5
150.58644	1.5
151.11165	7.1
151.14769	3.0
153.12675	2.6
155.14297	18.7
161.13251	10.1
163.14816	5.9
165.12730	5.7
165.16367	3.6
167.14314	2.5
169.12227	2.0
175.14803	6.3
179.14314	3.8
179.17903	4.1
181.15747	1.5
189.16376	2.9
199.16788	1.4
203.17868	1.6
207.17404	2.7
219.21094	1.7
221.22716	2.6
235.24260	3.0
245.22591	20.6
253.25252	6.0
263.23703	15.5
281.24808	8.9
299.25839	7.5
305.44040	1.5
337.27066	3.0
355.28363	97.2
356.28909	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
55.05508	51.7
57.03423	12.0
57.07061	13.5
58.06580	16.9
67.05489	87.6
67.45250	8.1
69.07056	40.2
69.53679	36.4
71.08611	9.5
79.05482	28.5
81.07050	100.0
83.08607	41.3
85.10148	10.2
91.05445	26.4
93.07033	39.2
94.49016	9.3
95.08587	94.5
97.10143	19.3
105.07001	18.1
107.08563	25.4
109.10136	47.4
119.08556	12.7
121.10114	29.1
123.11668	14.4
133.10114	25.7
135.11665	23.6
147.11729	8.7
149.13223	16.0
161.13281	17.3
175.14922	12.9
245.22522	40.9
263.23615	49.8
337.27222	24.8
355.28345	55.0
356.35028	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	355.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	10.9
57.03411	3.2
58.06595	8.9
63.33753	3.0
67.05495	31.0
69.07052	14.0
69.67370	8.9
71.08603	3.8
72.10764	3.3
79.05478	8.0
81.07036	26.0
83.08614	9.8
91.05462	6.1
93.07039	13.2
94.42760	3.5
95.08593	28.8
96.79353	3.0
97.06521	6.9
97.10184	4.9
107.08560	5.4
109.10126	17.8
119.08553	8.8
121.10140	9.7
123.11744	7.3
133.10097	4.4
135.11661	7.2
147.11699	4.1
149.13229	7.0
161.13206	6.1
163.14688	5.3
167.14423	3.6
223.08636	3.7
245.22572	10.6
263.23566	7.2
337.27689	3.6
343.92386	3.2
355.28165	100.0
356.28384	9.5
356.35123	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	44.2
57.03431	13.9
57.07058	12.5
60.21917	3.7
67.05502	74.4
69.07064	47.2
69.17014	26.2
71.08621	5.1
77.03884	4.5
79.05506	25.4
80.15798	3.8
81.07051	100.0
83.08627	29.3
85.06541	5.0
85.10191	4.8
91.05470	23.9
93.07042	24.7
95.08601	79.5
97.06518	9.4
97.10142	20.1
98.22701	10.0
99.08093	4.9
105.07029	13.7
107.08578	18.3
109.10149	41.3
111.11694	8.4
114.49898	4.9
119.08566	17.8
121.10140	21.6
123.11700	28.9
133.10109	16.5
135.11690	16.8
137.13249	8.3
147.11703	10.2
149.13239	14.2
151.11169	5.0
151.14806	4.7
161.13248	15.3
163.14780	12.1
165.16402	6.8
175.14798	11.8
175.41966	3.9
179.17896	6.0
189.16246	5.1
245.22647	33.8
246.22867	5.9
262.22653	4.7
263.23697	50.4
337.27362	30.2
355.28384	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	356.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	4.5
69.72539	3.2
69.72881	9.0
70.06547	4.3
84.08113	2.8
85.02878	3.6
92.93928	2.6
98.04278	2.9
98.97563	6.3
108.90540	2.9
110.07111	3.0
110.97544	5.0
116.98618	3.7
139.70747	2.8
146.05984	8.4
147.06410	3.3
163.03886	3.1
173.79594	3.1
174.24001	2.6
195.00420	3.6
196.05186	3.1
212.05933	13.0
217.52148	2.6
219.64819	2.8
227.70358	2.9
230.07027	8.3
236.05811	5.4
237.02835	5.5
274.01541	3.4
356.10855	100.0
356.17453	4.0
357.05841	5.2
357.11261	15.5
357.24939	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	356.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	41.5
58.06574	2.4
69.03415	1.2
69.31222	4.2
70.06571	2.1
81.03380	1.4
84.04486	1.0
85.02888	6.2
90.04183	0.9
94.73792	1.0
95.08588	1.5
97.02886	1.7
99.04436	8.6
109.02861	2.2
110.07166	1.0
117.03358	1.1
117.05484	15.0
118.03736	1.2
123.04397	0.9
131.07024	100.0
132.07343	2.4
133.02849	2.0
135.04362	2.1
136.04713	2.0
141.37378	0.9
145.05008	1.5
146.03113	1.1
153.97786	0.8
159.06522	6.2
163.03877	10.5
163.27704	0.9
164.04221	13.3
177.07570	17.7
177.11201	1.1
180.08621	1.5
194.10217	1.1
279.51886	0.9
294.12564	1.6
356.13226	2.6
357.15295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88797	0.8
55.01852	1.2
56.96565	1.0
57.03431	16.7
58.06588	5.7
69.03426	3.0
70.06583	1.2
71.44160	1.0
72.08147	1.2
75.04465	1.0
80.06576	0.9
81.03427	1.5
84.08136	1.7
85.02880	5.4
86.42382	0.9
91.05774	1.7
95.08607	1.5
97.02854	2.2
99.04440	24.9
108.02898	0.9
109.02863	1.7
113.09619	1.2
113.36560	0.8
115.03918	1.3
117.05472	16.6
120.09163	0.9
127.03919	1.4
131.07019	100.0
132.04419	2.4
132.07396	2.5
137.06061	1.0
141.05414	1.4
154.08592	1.0
159.06491	11.4
176.03442	2.2
177.07559	15.9
194.04514	2.7
279.10196	3.6
281.81882	0.8
294.12360	5.5
295.09836	1.8
310.11948	2.3
321.12250	1.5
325.14313	4.5
353.66895	1.0
356.10693	2.3
356.14877	1.6
357.11301	1.0
357.15335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23529	0.6
57.03429	41.0
58.06588	1.4
69.03408	1.8
70.06593	2.8
71.04986	1.2
79.91554	0.8
81.03371	1.1
84.08131	1.6
85.02900	4.9
89.06032	1.9
91.05791	1.2
97.02887	1.3
99.04433	9.8
112.25122	0.6
117.03388	0.7
117.05482	14.5
127.03922	1.9
131.07025	100.0
132.07335	1.6
133.02838	1.6
135.04402	1.7
136.04756	1.3
137.06006	1.1
139.17194	1.0
151.06268	3.0
159.06493	5.1
161.04454	0.7
163.03879	5.5
164.04216	7.5
177.07550	17.1
180.08641	2.1
182.79816	0.7
188.03365	0.7
194.10214	1.3
206.08144	0.8
314.42267	0.7
338.08636	1.0
357.14694	1.7
357.24905	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01866	5.7
56.96560	3.2
59.04981	1.5
61.02908	0.9
66.24613	0.6
69.03419	9.6
70.30122	1.2
73.02898	0.9
73.99885	0.6
81.03421	3.4
85.02889	3.6
87.04463	6.2
97.02880	11.3
98.23322	0.8
98.97569	3.2
99.04440	1.4
109.02871	2.6
115.03914	100.0
116.04276	1.3
116.98603	1.9
117.05751	0.8
120.03688	0.7
126.04596	0.6
127.03906	3.7
132.08064	1.7
133.02760	0.7
133.04944	11.7
134.39682	0.6
135.04407	1.3
136.04724	1.1
139.18016	0.7
145.04971	2.5
148.07574	2.9
153.05339	0.8
156.03294	2.0
159.06502	0.7
163.03822	3.8
164.04257	4.7
168.03325	1.2
172.94359	2.0
174.04381	2.7
174.97635	1.4
176.07043	3.0
186.04358	5.0
189.04156	0.8
190.95395	1.9
194.08150	2.5
204.05452	3.0
212.58429	0.7
214.95337	0.8
216.98714	0.8
224.04576	0.8
228.05460	1.9
231.00188	0.7
232.96413	4.2
246.06573	1.5
250.97461	1.6
259.08102	6.2
273.01373	1.5
274.01398	1.3
277.09149	5.9
294.12320	0.8
297.11154	1.4
303.07114	2.4
314.07523	3.4
314.95279	1.3
321.08380	0.9
332.05637	0.9
332.96609	0.9
356.13489	5.3
374.97424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.9
56.05021	2.8
56.10538	0.6
57.07061	1.4
58.06593	7.1
67.05497	10.6
69.07056	10.7
69.09761	5.1
70.06586	0.8
70.67996	0.7
79.05476	4.9
81.07053	6.7
83.08606	6.4
84.04491	100.0
85.02899	1.3
85.04829	1.5
85.06499	0.7
88.07623	0.8
91.05456	1.0
93.07027	5.8
95.08596	6.7
97.06535	1.3
97.10139	3.3
102.05522	38.1
103.05865	0.9
105.06961	1.0
107.08579	2.1
109.10124	4.5
113.09557	0.8
121.10108	5.8
123.11703	1.1
130.04982	76.4
131.05333	1.9
135.11674	4.5
148.06021	79.2
149.06377	1.5
157.10069	1.0
191.17947	2.7
204.14140	0.7
209.19032	4.2
294.12540	0.9
355.33804	0.9
356.14816	1.8
356.24167	1.7
356.34280	7.3
376.60977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3517
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
54.21195	0.2
55.05500	8.9
57.07068	1.2
58.06589	1.8
62.06072	0.7
63.30112	0.2
67.05505	0.3
68.05003	0.3
69.07053	7.1
70.06578	11.8
71.08630	0.3
74.06074	0.5
81.07059	0.4
83.08603	4.0
85.10171	0.3
85.39031	0.3
86.06071	0.3
88.07612	17.2
97.10149	1.5
102.09152	5.0
103.67439	0.3
106.08640	8.9
130.49353	0.3
185.40112	0.3
253.15198	0.3
294.31516	0.4
312.32516	0.8
338.34125	6.2
339.34628	0.6
356.35138	100.0
357.35461	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	357.0576
Annotation	Asp-Asp-OH
Peak:m/z	Relative Intensity
51.26977	2.1
59.76919	2.3
62.06066	8.5
67.18243	2.2
69.03423	3.2
69.48678	10.3
70.06564	3.0
72.08148	2.6
82.54317	2.3
82.73868	2.4
84.08106	4.8
98.22655	4.3
102.89931	2.5
109.04838	2.2
110.52482	2.3
128.97627	2.6
179.60596	2.3
308.77002	2.7
327.92395	2.5
337.24384	2.4
357.05649	100.0
357.24777	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	357.0965
Annotation	Ophiopogonanone C
Peak:m/z	Relative Intensity
50.14049	0.9
50.39973	0.8
50.62639	0.8
51.25114	0.8
55.01868	1.8
62.93235	0.8
65.03914	1.1
67.05519	1.1
68.99774	1.2
69.85324	2.6
70.26382	0.8
79.05479	3.3
79.35991	0.8
80.66924	0.9
81.03386	1.1
81.07051	1.4
89.03900	1.0
91.05467	9.3
93.07024	1.9
95.04967	2.4
95.08607	0.9
102.04671	6.6
103.05431	4.8
103.32285	0.8
104.37940	0.8
105.03363	3.9
105.04480	0.8
105.07026	11.5
107.01296	2.4
107.04922	2.1
107.08566	1.7
109.06562	0.9
111.04440	1.2
115.05434	4.7
117.03361	1.4
118.04140	6.2
119.04926	9.4
121.02847	4.4
121.06499	2.9
123.04425	0.9
128.06250	1.0
130.04117	13.2
131.04909	6.5
133.02823	9.5
133.06456	7.9
134.03586	5.5
135.04399	2.0
137.05946	9.9
138.06348	1.0
143.04916	1.2
145.06467	1.0
146.03600	62.0
146.25119	0.9
147.04391	23.9
148.04999	2.0
149.02319	4.8
149.06003	2.0
150.03088	2.2
150.06720	1.8
151.03882	6.6
151.07542	2.0
153.05444	1.1
159.08055	1.4
161.02324	21.3
161.05946	79.2
162.03090	8.2
162.06732	20.9
163.03813	2.9
163.07451	2.0
165.05479	1.1
167.07039	1.3
167.08481	1.3
175.07471	1.1
177.01767	6.5
177.05464	1.4
178.02615	6.5
178.06194	1.1
179.03363	100.0
180.03706	3.5
181.06494	1.3
183.07941	1.4
184.73463	0.8
184.81648	0.8
187.07576	0.9
189.01888	4.6
190.02621	3.2
190.11411	0.8
193.04903	1.7
194.07182	1.0
195.08038	2.5
198.24329	0.8
200.01215	0.8
203.03496	1.1
203.06985	1.7
205.04898	15.3
205.06744	1.3
205.08620	2.1
206.07271	1.3
207.07996	1.6
209.09776	0.9
210.06682	1.1
211.07462	1.8
215.03429	1.4
219.02846	2.5
219.06488	2.5
219.08249	1.4
221.04263	1.1
222.06621	0.8
223.07513	2.7
225.09113	1.1
233.04419	2.7
234.40327	0.8
235.07559	1.6
236.08182	1.1
237.08974	1.0
239.06976	2.5
239.10547	0.9
243.06497	1.6
247.09634	1.9
249.05536	1.0
249.09152	1.1
250.06175	1.1
251.06975	2.6
253.08582	3.7
254.09258	1.1
257.08047	0.9
261.05188	1.7
261.07578	3.9
263.06961	1.0
265.08368	1.0
268.07227	0.8
269.11792	1.1
271.09564	3.2
277.08481	1.2
279.06473	8.2
279.09686	1.6
280.06937	1.1
283.09601	2.0
295.09326	1.2
297.11118	5.2
299.09103	2.6
302.23547	1.0
307.05948	63.1
307.09067	2.2
308.06351	5.6
311.12759	1.6
324.06149	1.1
325.10562	7.3
326.10983	1.0
327.08560	9.3
327.12292	2.2
329.14059	1.8
339.08578	78.7
339.12128	5.2
340.08856	5.5
357.09555	37.6
357.13361	10.9
358.09906	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	357.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42005	1.0
55.01851	1.1
57.83735	0.8
62.79891	0.9
63.86566	0.8
65.03925	1.1
67.05486	2.7
69.03410	1.9
69.07041	1.4
69.22771	6.1
70.06579	2.8
74.65393	0.9
79.05490	2.4
81.07037	4.3
82.74641	1.0
83.04980	1.5
84.08128	1.7
85.02913	1.2
86.09690	2.3
91.05457	3.6
93.07024	2.1
95.04954	1.5
95.08587	1.9
97.02831	1.0
101.29449	0.8
103.05473	1.8
105.07015	3.8
107.04954	1.0
107.08557	2.3
109.06509	2.5
109.10122	3.1
109.64040	0.8
115.05443	0.9
119.08580	4.7
121.10139	1.4
122.03599	2.9
131.04895	2.2
132.04384	1.5
133.06476	1.6
133.10091	2.2
135.08015	1.5
135.11690	1.3
137.05959	24.9
137.09586	1.4
143.04851	1.4
151.03903	6.5
151.07486	1.8
151.11211	1.2
157.03146	1.9
161.06006	1.3
161.09610	2.9
162.60306	1.2
163.03645	4.7
163.07559	3.0
164.07063	1.8
165.09068	2.0
167.06998	1.3
167.08467	1.0
172.03917	1.9
175.07571	1.1
177.05434	1.7
179.10609	2.3
185.04143	6.1
195.06259	100.0
195.09985	3.3
196.06581	2.2
204.06540	2.0
205.08684	1.3
207.10303	1.2
251.07063	1.0
283.89771	1.1
295.09402	1.3
327.12097	1.4
349.99112	1.0
357.11215	23.8
357.18890	2.0
378.83777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42005	1.0
55.01851	1.1
57.83735	0.8
62.79891	0.9
63.86566	0.8
65.03925	1.1
67.05486	2.7
69.03410	1.9
69.07041	1.4
69.22771	6.1
70.06579	2.8
74.65393	0.9
79.05490	2.4
81.07037	4.3
82.74641	1.0
83.04980	1.5
84.08128	1.7
85.02913	1.2
86.09690	2.3
91.05457	3.6
93.07024	2.1
95.04954	1.5
95.08587	1.9
97.02831	1.0
101.29449	0.8
103.05473	1.8
105.07015	3.8
107.04954	1.0
107.08557	2.3
109.06509	2.5
109.10122	3.1
109.64040	0.8
115.05443	0.9
119.08580	4.7
121.10139	1.4
122.03599	2.9
131.04895	2.2
132.04384	1.5
133.06476	1.6
133.10091	2.2
135.08015	1.5
135.11690	1.3
137.05959	24.9
137.09586	1.4
143.04851	1.4
151.03903	6.5
151.07486	1.8
151.11211	1.2
157.03146	1.9
161.06006	1.3
161.09610	2.9
162.60306	1.2
163.03645	4.7
163.07559	3.0
164.07063	1.8
165.09068	2.0
167.06998	1.3
167.08467	1.0
172.03917	1.9
175.07571	1.1
177.05434	1.7
179.10609	2.3
185.04143	6.1
195.06259	100.0
195.09985	3.3
196.06581	2.2
204.06540	2.0
205.08684	1.3
207.10303	1.2
251.07063	1.0
283.89771	1.1
295.09402	1.3
327.12097	1.4
349.99112	1.0
357.11215	23.8
357.18890	2.0
378.83777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1179
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
50.83817	0.5
53.03928	1.2
57.03429	0.6
58.06575	1.0
69.03423	3.9
69.07058	0.4
70.06590	3.8
71.04985	22.2
72.08154	1.0
79.05516	0.4
81.03401	6.4
83.06103	0.6
84.04493	1.7
84.08138	2.5
85.02899	2.0
86.09692	1.8
91.05426	0.4
97.02882	6.3
99.04443	100.0
100.04784	1.8
106.06560	1.1
109.02875	2.5
110.02361	0.4
111.04391	0.5
115.03918	2.1
116.07050	2.4
117.03511	0.4
122.05994	0.6
123.04384	1.2
124.07594	0.6
127.03896	6.9
129.06560	0.9
129.10201	1.2
132.04453	2.8
133.02901	0.4
134.06001	1.5
136.07568	1.1
137.05962	3.7
146.05977	1.0
148.07507	0.6
149.02306	1.0
149.04712	0.5
150.02678	0.7
150.05101	0.5
151.06221	0.7
152.07024	1.6
153.18143	0.4
161.04691	0.4
162.05476	2.1
164.07082	1.2
176.07071	1.9
177.05409	0.5
178.08669	1.7
178.65001	0.5
181.04907	1.0
181.07358	1.0
182.07651	1.0
190.05008	0.8
191.05656	1.2
196.09654	1.0
196.14445	0.9
197.12833	1.1
206.08090	4.9
214.15514	1.0
215.05217	0.5
217.06735	0.6
224.13878	0.6
229.15337	0.5
243.08606	1.0
280.02109	0.5
288.04501	0.5
289.05356	1.6
311.31561	0.4
321.07935	0.7
339.08951	2.5
352.66599	0.4
357.10791	2.0
357.15057	1.6
357.25092	2.6
358.14951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1329
Annotation	Spiraformin A
Peak:m/z	Relative Intensity
52.21711	0.7
55.01804	4.4
57.03382	0.8
58.06518	0.8
62.82969	0.6
65.03864	5.6
69.03361	0.7
71.42418	0.7
75.64530	0.7
79.05425	1.4
81.03338	0.8
81.06989	0.9
85.02897	4.8
91.05473	5.6
93.03357	1.7
95.01260	1.1
95.04875	3.0
103.05383	1.6
104.02530	1.0
105.03310	1.1
105.06929	2.6
107.01282	0.7
107.04951	6.4
107.39162	0.7
108.01949	0.7
110.03661	3.3
111.04430	5.5
115.05464	3.4
117.06906	2.0
118.04072	0.8
119.04860	2.3
120.02013	0.7
121.02853	40.2
121.03798	3.3
121.06438	1.1
122.03120	0.8
122.82883	0.7
123.04365	1.0
125.05882	3.2
128.06134	1.1
129.06911	1.4
130.04091	1.1
131.04945	3.9
133.02707	2.0
133.06366	1.5
135.07857	0.8
137.05951	4.9
141.06917	1.3
143.04836	1.0
144.05579	2.8
145.06497	4.6
146.03627	4.8
146.07213	1.8
147.04308	2.2
147.07961	3.1
148.05186	1.5
149.02219	2.4
149.03358	0.8
149.05852	0.7
151.03835	3.2
152.06125	2.9
153.05348	5.8
153.06860	2.7
154.07703	0.8
155.04831	0.8
158.07204	1.4
159.04283	0.9
159.08049	9.2
160.05098	1.0
161.02299	1.5
161.05943	9.1
162.03061	0.9
162.06674	1.1
165.05696	0.9
165.06985	7.8
166.07555	1.2
167.07172	0.7
167.08531	3.5
168.05634	1.6
169.06360	1.9
171.07938	1.2
173.05850	1.0
175.07533	3.8
176.04628	1.8
176.06085	1.2
177.05455	1.5
177.06926	2.4
177.08981	1.1
178.02516	0.9
178.07767	4.5
179.03371	5.9
179.08479	4.8
180.09201	1.2
181.04848	8.5
181.06413	5.7
182.07242	5.2
183.08061	3.5
185.05966	1.2
187.07515	1.0
189.05370	6.0
189.06963	2.5
190.07776	3.7
191.07010	0.8
191.08508	5.9
192.09117	1.2
193.06389	2.0
194.07240	6.1
195.06702	0.7
195.08034	8.6
196.08653	2.9
197.05948	4.0
197.09683	4.1
197.11139	0.8
198.06549	1.7
199.07317	0.9
203.06915	2.6
203.08572	1.5
204.07735	3.6
205.06400	3.0
206.07137	2.2
207.08023	8.4
208.05231	0.8
208.08856	4.3
209.05902	2.4
209.09535	4.2
210.06688	9.4
211.07523	9.2
212.08150	1.8
213.09013	1.3
217.08418	1.1
218.07266	4.3
218.09082	0.8
219.08022	8.2
220.08786	4.7
221.05998	5.1
221.09462	2.1
222.06633	3.8
223.05566	1.0
223.07507	10.5
223.11055	1.3
224.08336	6.9
225.05513	1.1
225.09081	8.2
226.06206	9.9
226.09695	2.8
227.06805	2.6
231.06442	1.2
233.05884	1.3
233.09572	1.6
234.06810	1.4
235.07520	8.3
236.08275	8.1
237.05450	1.1
237.08998	7.1
238.06206	3.2
238.09731	1.2
239.06992	22.6
239.10564	4.6
240.07739	3.6
240.11270	0.9
241.08473	2.5
246.06758	0.9
247.07480	3.3
247.09636	31.3
248.08109	2.1
249.05365	2.4
249.08952	1.3
250.06297	1.4
250.09802	2.1
251.07021	3.0
251.10706	6.5
252.07669	3.6
252.11011	0.8
253.08562	34.4
253.11215	1.7
254.09302	9.8
255.06494	2.3
255.09955	3.1
261.09076	1.0
263.06927	1.7
264.07770	3.4
265.08566	6.9
266.05634	0.9
266.09207	3.1
267.06516	1.1
267.10068	6.4
268.07208	2.4
268.10739	1.9
269.08694	1.2
269.11673	13.1
270.08746	2.1
271.09564	1.0
275.06906	1.5
277.08508	1.2
279.06958	1.0
279.10104	5.6
280.07343	1.2
281.08127	4.4
282.08795	8.7
283.09570	5.1
284.10263	0.8
285.11270	1.1
292.07208	1.0
293.07953	1.2
295.09509	3.7
296.10294	2.0
297.11182	31.5
298.11731	3.3
299.09097	1.9
301.14362	1.1
307.05969	4.7
307.09634	2.2
310.08484	0.9
311.09015	0.9
311.12634	1.5
313.10785	3.3
314.11322	0.9
324.09796	1.1
325.10651	100.0
326.11194	11.6
327.08801	0.9
327.12189	3.8
329.13785	12.7
339.08511	4.8
339.12363	1.8
342.11011	1.3
357.09793	2.3
357.13284	54.3
358.13599	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	357.1328
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.62090	0.9
54.59904	0.8
56.63755	0.7
64.14134	0.9
67.05499	1.7
68.22524	0.9
69.03423	10.8
69.97787	2.4
79.05496	1.4
81.07024	1.0
83.01365	1.2
83.04993	1.9
87.35541	0.8
90.59785	0.8
91.05458	2.3
93.07030	2.5
93.28155	0.9
93.72072	0.8
95.04955	2.0
95.08584	1.3
99.61231	0.9
103.05450	1.2
105.07043	2.3
107.08571	1.9
109.06506	1.5
119.08585	1.2
121.06507	7.5
123.04462	1.1
123.08062	1.7
128.06290	1.0
131.04912	3.1
134.03645	1.5
135.08022	5.9
137.05962	1.7
145.28708	0.9
147.04396	2.7
147.07974	1.3
149.05974	3.3
159.04375	1.8
161.05936	1.8
162.03122	9.2
163.03897	1.7
163.07585	1.2
165.05446	1.0
177.05467	3.3
189.05479	3.1
190.02585	19.8
193.04950	1.4
199.03873	1.7
200.04663	2.3
203.07031	1.0
205.04935	100.0
205.08633	4.0
206.05315	4.1
215.07013	1.8
217.04956	1.8
219.02780	1.3
219.06390	4.4
228.04085	2.7
229.04973	3.9
231.06590	1.3
242.05682	0.9
243.06497	40.2
244.06813	1.6
245.08069	2.7
257.08115	1.4
269.07877	1.2
281.07928	1.1
283.09650	2.2
287.09167	3.9
297.07910	1.1
297.11087	4.6
311.12839	4.0
321.11288	3.2
327.12433	0.9
329.13785	1.6
339.12247	27.9
340.12418	1.7
356.27734	2.9
357.12900	10.4
357.27975	1.9
358.24081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1329
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
52.19289	0.9
55.01862	3.1
60.04511	1.3
65.03915	1.6
67.05485	2.3
67.39957	0.9
69.07055	1.1
69.39138	4.6
71.46311	0.9
79.05470	2.9
81.07026	4.5
83.04948	0.9
86.00442	1.1
91.05437	5.4
93.07037	2.9
94.04172	3.0
95.04944	2.2
95.08590	3.0
98.22676	1.9
103.05447	1.8
105.07007	2.6
106.04232	1.0
106.04993	2.6
107.04918	2.3
107.08581	2.6
108.02124	1.2
109.06494	1.8
109.10139	2.2
115.05413	3.1
117.07016	2.0
119.04916	3.1
119.08598	1.8
121.06478	3.4
121.10136	1.6
122.03661	7.2
123.04366	2.0
131.04900	3.7
135.04337	1.3
135.11665	1.1
137.05963	100.0
138.06317	1.6
138.44421	1.0
143.04898	7.6
144.05852	1.2
145.02797	1.0
145.06401	1.2
147.04408	1.8
147.08041	1.4
149.05951	3.8
151.03888	18.8
151.04968	1.8
153.05472	1.0
159.04376	1.4
159.08066	0.9
161.05956	4.2
162.03134	1.2
163.03880	1.5
163.07497	2.6
165.05511	2.0
165.06895	2.1
167.07028	2.9
172.05133	1.2
175.07503	3.9
176.17212	1.1
177.05438	2.9
179.06996	1.2
179.71280	1.0
181.04958	1.3
190.02509	2.2
191.06944	1.4
193.06366	1.0
203.07074	5.0
204.06642	1.1
205.04924	14.2
205.06749	2.0
205.08380	5.0
215.07043	1.2
219.06232	1.2
219.08151	2.4
221.06152	1.3
223.07622	1.5
235.07515	2.2
235.78450	1.0
236.08047	1.2
237.09067	1.9
238.06441	1.0
243.06624	1.6
244.96088	1.0
249.08984	2.9
251.10703	2.0
253.08725	1.6
261.08969	2.0
263.07025	1.9
264.07568	1.6
265.08563	2.4
269.08072	1.8
277.08557	2.2
278.09259	1.2
279.10187	3.1
283.09604	1.7
284.09747	1.1
289.08734	1.4
295.09558	2.8
297.07809	1.1
297.11246	3.5
299.09067	1.3
307.09534	2.6
309.11203	2.7
311.12619	5.0
313.10782	1.5
321.11023	1.7
324.09671	1.2
325.10651	3.8
327.12262	11.7
328.12723	1.7
339.08542	1.5
339.12048	4.7
357.09497	2.3
357.13272	32.5
357.18655	3.9
358.13528	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95504	2.4
70.06562	1.0
81.07068	1.1
91.05468	1.2
94.04208	2.3
95.04983	1.0
103.05452	1.1
109.75040	0.9
115.05472	1.4
122.03632	6.3
129.07069	1.0
131.04919	0.9
134.64102	0.9
135.03297	0.8
137.05951	92.7
138.06355	2.4
139.03951	1.0
143.04898	5.9
144.04440	1.3
147.04388	1.1
151.03894	19.8
151.05000	2.1
151.07642	1.3
153.05473	1.1
161.06041	1.1
162.05559	1.1
162.23927	0.8
172.03903	7.0
175.07607	2.5
177.08992	2.6
185.04179	13.3
195.06265	10.0
195.09886	100.0
196.10312	2.0
203.07057	3.0
204.06528	10.2
205.04991	2.3
205.06830	0.9
205.08734	1.6
265.08792	1.0
279.10172	1.4
297.11365	1.2
307.09329	1.0
325.10504	1.3
327.12158	9.0
339.12524	1.4
341.45404	0.9
357.15250	90.9
358.15640	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	357.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05293	1.8
55.05510	18.7
57.03875	1.4
57.07078	9.1
58.06589	4.6
58.07412	3.0
59.70972	1.6
61.62704	1.4
62.06091	1.2
67.05497	4.4
69.07063	16.2
70.06592	26.0
70.07407	1.9
71.06883	1.9
71.08622	5.1
72.08118	1.7
72.08955	1.8
72.16304	1.5
81.07049	4.4
82.07384	2.4
83.08614	9.8
86.06049	3.7
88.07625	36.8
93.07095	1.5
95.08599	5.0
96.08945	1.4
97.10168	4.1
99.24305	1.3
100.07635	2.6
102.09166	8.9
106.08668	15.7
107.08519	1.3
205.04977	2.1
326.30432	1.6
338.34088	12.7
339.34595	7.6
340.35693	2.9
356.35193	100.0
357.14578	4.7
357.18210	27.5
357.24188	2.2
357.28815	3.1
357.35516	78.3
358.32242	2.4
358.36731	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	357.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05489	1.1
56.05029	1.0
58.06580	2.2
60.04497	0.7
60.93689	0.5
67.05484	3.5
69.03408	1.1
69.07052	2.0
70.06569	1.7
70.69102	0.6
71.04978	1.0
72.08144	0.7
73.03950	0.5
79.05476	2.4
79.51327	0.5
81.07041	6.9
83.04976	1.0
83.06089	4.5
83.08606	0.8
84.04488	18.3
85.02875	0.9
85.06518	0.9
86.09697	0.8
91.05456	3.5
93.07018	2.5
95.04953	1.2
95.08601	3.3
97.06468	0.7
98.22614	1.4
101.07105	1.8
102.05527	2.3
105.07003	3.9
106.04982	1.0
106.06512	1.4
107.04951	0.8
107.08562	2.7
109.06497	1.7
109.10128	1.4
115.05459	0.8
119.08555	3.3
121.06478	1.1
121.10126	2.4
123.11664	2.2
129.06577	8.0
130.04108	0.9
130.04996	14.3
131.08553	1.1
133.10091	1.1
134.05936	0.7
135.11584	0.8
137.05945	6.3
147.07613	5.3
147.11670	5.6
149.06021	0.6
149.13138	0.8
151.03867	2.0
151.07590	0.6
151.11137	0.7
153.05370	0.7
159.11679	0.7
163.14867	0.6
165.06825	0.7
165.12755	3.1
167.07091	1.4
175.07536	1.0
177.09193	0.6
182.15372	0.8
183.13820	0.9
191.06989	0.8
195.07922	0.6
203.07024	0.8
205.06403	0.8
206.93889	0.6
207.08090	1.0
210.14839	2.8
223.07520	0.7
228.15918	1.7
253.08537	0.7
263.07095	0.9
264.07950	1.0
265.08368	0.7
267.10214	1.0
277.08542	0.8
279.10107	0.9
289.09064	0.6
293.18860	0.8
295.12912	1.3
296.10019	1.2
297.11090	0.7
307.09778	0.8
311.12646	0.8
321.18115	1.7
325.10654	2.5
326.14594	0.7
329.13382	1.2
339.12534	0.8
340.22324	0.7
357.13727	4.9
357.18765	100.0
358.19162	4.6
358.23755	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2013
Annotation	(3S)-methylthiofentanyl
Peak:m/z	Relative Intensity
57.07065	1.1
59.72126	1.5
62.98243	3.9
64.98241	1.1
69.44792	5.3
69.65586	1.1
76.23833	1.2
108.96325	1.1
126.09193	1.4
151.07523	1.6
205.04936	6.7
217.08087	16.6
219.06554	2.9
235.05963	1.5
237.53049	1.3
286.30023	1.5
297.90601	1.3
317.20847	5.3
339.19037	34.4
339.23053	2.2
340.19168	1.7
357.20114	100.0
358.20285	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	357.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88583	3.6
53.03937	5.7
55.01852	3.9
55.05503	62.6
57.03430	13.8
57.07069	52.4
57.97138	3.0
58.06590	12.2
59.06927	3.0
67.05496	85.2
69.07057	85.5
70.06579	15.4
70.07390	4.3
70.95945	3.5
71.04996	3.9
71.08608	24.1
75.04459	4.7
79.05482	59.4
81.07046	90.2
83.04986	3.5
83.08607	69.1
85.06547	3.3
85.10165	14.4
87.04465	4.0
88.07619	17.9
89.07923	3.5
91.05465	8.7
93.07027	61.9
95.04972	5.6
95.08592	100.0
97.06516	31.8
97.10150	42.3
102.09211	4.9
104.85506	2.7
105.07040	4.6
106.08649	8.7
107.08575	50.4
108.08959	2.7
109.10135	40.2
111.08072	16.7
111.10993	2.9
111.11710	11.9
119.08635	3.0
121.10123	90.4
122.10466	3.8
123.11695	17.6
125.09598	6.8
125.13268	3.3
129.09094	3.5
133.10147	3.9
135.11671	61.9
137.13229	8.1
139.11162	7.5
145.10091	2.8
149.13235	34.5
151.14838	6.9
153.12721	4.2
163.14801	11.6
165.16367	9.8
167.14264	4.6
177.16360	9.8
181.15880	3.3
191.17847	4.4
247.24156	67.3
265.25244	70.5
266.25568	5.3
283.26117	4.5
288.29611	3.1
325.48062	2.7
330.79480	2.8
335.17810	3.1
339.28848	45.6
339.32834	3.7
339.34708	4.6
340.22708	5.5
340.29065	3.9
340.35681	4.5
357.14932	5.0
357.25443	4.0
357.29459	4.5
357.30478	5.2
357.35486	87.0
358.23801	4.9
358.36740	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	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05257	2.5
55.05512	40.9
56.05847	2.2
57.03440	11.3
57.07073	24.6
58.06590	5.7
59.05029	1.4
65.09689	1.6
67.05505	26.5
69.06707	3.4
69.07066	48.6
69.95752	3.0
69.96139	4.7
70.06582	10.8
70.07397	3.0
71.08616	14.6
73.06531	2.5
74.06059	2.1
76.34586	1.6
79.05490	15.6
81.07056	32.1
83.08618	33.2
84.08944	2.1
85.06525	2.2
85.10177	6.0
85.52320	1.6
88.07623	18.8
89.07954	4.4
91.05476	2.6
93.07054	15.8
95.08607	30.9
97.06537	11.9
97.10170	23.0
98.10488	2.0
102.29935	1.5
106.08646	6.4
107.08556	13.7
109.06503	1.7
109.10156	20.2
111.08073	6.2
111.11716	6.5
121.10134	24.5
123.11687	7.8
125.09658	3.7
132.99536	4.8
135.11687	21.0
137.13245	2.6
139.11131	4.5
141.42442	1.7
149.13251	9.1
151.00647	2.4
151.14847	3.2
163.14824	3.9
165.16428	2.4
176.98563	3.4
177.16412	2.4
187.00536	2.5
191.00116	7.2
191.17889	3.6
205.04997	4.6
243.06738	2.6
247.24191	15.5
265.25241	31.7
283.26306	1.7
310.34802	3.2
339.28928	22.2
339.34406	4.1
340.29156	3.1
357.17664	3.6
357.29990	32.9
357.35507	100.0
358.29965	3.0
358.36710	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	357.2996
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.29686	3.2
51.37894	3.3
53.03937	3.3
55.01865	5.2
55.05505	75.5
56.05838	4.0
57.03422	16.3
57.07070	48.7
67.05153	5.2
67.05496	67.9
69.06703	6.2
69.07059	91.3
70.06589	11.4
70.07376	5.1
70.10736	4.7
70.11049	4.5
71.04986	5.1
71.08624	30.8
79.05483	51.1
79.95174	3.3
81.07049	87.5
83.04974	5.7
83.08617	81.1
84.08945	3.6
85.10176	13.7
88.07618	15.1
90.44421	3.2
91.05515	6.1
93.07037	54.5
95.08597	88.8
97.06519	34.2
97.10161	43.7
98.10446	3.5
98.23436	4.4
99.08064	4.8
101.71601	3.4
102.09196	4.1
106.08667	4.9
107.08566	45.6
107.09232	3.4
109.10129	42.5
111.08077	12.0
111.11717	13.9
121.10126	92.6
122.10471	4.9
123.11686	12.0
125.09615	10.8
128.62082	3.3
135.11682	64.9
136.12115	3.4
137.13255	8.0
139.11140	6.9
147.70752	3.6
149.13248	35.0
151.14784	11.2
159.55122	3.1
160.96193	3.6
163.14821	16.0
165.16371	7.2
168.85315	3.3
177.16393	7.2
181.15698	5.0
191.17880	9.0
205.04886	4.9
209.19019	3.7
214.98871	3.2
247.24185	74.3
248.24553	5.7
265.25272	68.2
266.25430	3.8
327.32590	3.7
336.35910	4.1
336.40121	3.4
339.28864	49.8
339.34583	8.4
357.30109	20.7
357.35483	100.0
358.36441	4.9
382.99008	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	357.2996
Annotation	1-Oleoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05257	2.5
55.05512	40.9
56.05847	2.2
57.03440	11.3
57.07073	24.6
58.06590	5.7
59.05029	1.4
65.09689	1.6
67.05505	26.5
69.06707	3.4
69.07066	48.6
69.95752	3.0
69.96139	4.7
70.06582	10.8
70.07397	3.0
71.08616	14.6
73.06531	2.5
74.06059	2.1
76.34586	1.6
79.05490	15.6
81.07056	32.1
83.08618	33.2
84.08944	2.1
85.06525	2.2
85.10177	6.0
85.52320	1.6
88.07623	18.8
89.07954	4.4
91.05476	2.6
93.07054	15.8
95.08607	30.9
97.06537	11.9
97.10170	23.0
98.10488	2.0
102.29935	1.5
106.08646	6.4
107.08556	13.7
109.06503	1.7
109.10156	20.2
111.08073	6.2
111.11716	6.5
121.10134	24.5
123.11687	7.8
125.09658	3.7
132.99536	4.8
135.11687	21.0
137.13245	2.6
139.11131	4.5
141.42442	1.7
149.13251	9.1
151.00647	2.4
151.14847	3.2
163.14824	3.9
165.16428	2.4
176.98563	3.4
177.16412	2.4
187.00536	2.5
191.00116	7.2
191.17889	3.6
205.04997	4.6
243.06738	2.6
247.24191	15.5
265.25241	31.7
283.26306	1.7
310.34802	3.2
339.28928	22.2
339.34406	4.1
340.29156	3.1
357.17664	3.6
357.29990	32.9
357.35507	100.0
358.29965	3.0
358.36710	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	358.1494
Annotation	Bakankoside
Peak:m/z	Relative Intensity
50.24003	1.5
52.89963	1.8
53.03939	3.9
55.01870	3.4
57.03423	6.5
61.02916	9.8
64.25463	1.9
66.74799	1.5
69.03416	29.3
70.11401	1.6
70.11730	3.9
71.04993	3.0
73.02918	8.5
81.03403	9.4
84.58328	1.7
85.02898	36.1
87.04466	6.8
91.05474	7.1
93.05785	3.0
94.06557	8.1
97.02881	21.0
99.04458	3.4
104.05009	2.4
105.03412	4.0
108.08132	3.9
109.02866	8.6
109.06509	3.8
115.03821	2.1
117.05738	2.6
118.06519	11.1
121.05253	8.3
121.06485	1.9
121.55133	1.8
122.06026	12.5
127.03916	7.3
132.04443	27.8
133.05243	5.2
134.06001	6.1
136.07565	65.7
137.05989	6.1
139.06267	2.0
146.05998	59.3
147.06801	16.5
148.03912	10.2
148.07549	17.6
149.04712	7.9
150.09142	2.8
154.08606	6.0
162.05487	22.8
163.06250	21.1
163.07468	2.1
164.07040	67.9
178.08606	100.0
179.07013	2.3
180.10196	7.2
196.09668	54.3
210.98058	1.7
218.84471	1.9
220.49512	2.1
288.04819	1.6
308.11142	2.2
326.12292	6.4
347.52856	2.3
358.14917	74.6
359.15167	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	358.2695
Annotation	Ile Leu Leu
Peak:m/z	Relative Intensity
54.58429	0.3
54.71740	0.2
56.05026	0.4
58.06587	0.5
67.05485	0.4
69.03431	0.3
69.07060	4.9
72.08161	0.3
76.51883	0.3
81.07061	0.4
83.19785	0.3
85.02895	0.3
86.09694	100.0
87.10015	1.4
95.08631	0.5
97.02884	0.3
97.06496	0.3
100.77606	0.3
105.07023	0.5
109.10129	0.3
115.03876	0.3
119.08562	0.3
121.02041	0.3
132.10143	1.3
137.05945	0.6
151.04024	0.3
161.06030	0.4
199.18027	28.5
200.18353	1.1
227.17505	13.5
228.17860	0.5
245.18558	6.9
298.11578	0.3
313.10617	0.7
313.14166	0.3
340.08899	0.5
340.22635	0.8
341.14081	0.3
358.23792	1.1
359.14929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03378	0.2
55.05501	0.4
55.58106	0.2
57.07071	7.8
58.06596	0.9
62.06073	0.4
63.64018	0.2
68.05013	0.4
68.56508	0.2
69.07042	0.3
69.78011	0.4
69.78398	0.3
70.06585	14.8
71.08620	3.3
72.08126	0.2
83.08574	0.2
85.10166	1.3
86.06049	0.4
88.07620	17.2
89.07942	0.2
96.17459	0.2
102.09167	4.6
106.08652	9.3
109.94370	0.2
296.33218	0.4
314.34048	0.8
315.34937	0.2
340.35687	6.2
341.36002	0.5
358.36734	100.0
359.37076	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81126	2.6
51.75144	2.8
56.45220	2.5
56.96564	13.5
56.96793	2.6
71.43257	2.8
95.55576	2.9
97.01060	2.6
98.97566	97.6
109.91461	2.5
116.98605	46.7
134.99628	16.2
172.94373	4.8
174.97649	12.5
177.00865	4.4
190.95428	8.8
192.98705	10.2
198.97748	3.0
208.96495	4.1
214.95483	5.5
216.98633	44.9
219.01939	6.0
232.96454	31.7
233.96771	4.9
234.99712	63.6
235.99933	3.5
240.98831	3.4
250.93890	3.5
250.97493	19.1
251.43839	3.0
251.94682	4.4
252.97206	5.9
253.00893	4.5
256.96658	20.2
258.99738	24.0
261.02762	6.0
263.02890	5.5
268.94846	4.8
274.97672	45.6
275.97684	3.8
277.00784	31.7
280.96426	3.5
284.99899	3.9
292.95160	8.6
292.98718	9.9
293.95847	5.8
298.97696	64.0
299.97867	8.5
301.00934	4.2
303.00967	4.9
316.94989	24.3
316.98761	84.8
317.02161	3.5
317.95297	2.9
317.98917	9.6
334.96069	29.8
334.99719	6.8
335.17395	2.8
340.22607	5.4
340.98776	47.3
341.98779	3.9
358.99796	100.0
359.03366	4.7
359.99994	12.7
371.96741	2.9
376.96936	7.8
377.01141	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	359.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.3
56.05008	3.3
56.96554	2.8
58.06612	4.0
62.10865	2.7
69.03419	5.5
69.76880	6.8
69.77251	4.4
70.06580	8.6
72.08149	32.6
79.05504	2.7
80.04981	2.9
84.04485	8.4
84.08131	97.3
85.02882	19.4
86.09699	51.9
89.03882	4.3
96.04488	5.3
97.02869	7.8
101.10744	6.0
107.04950	3.4
110.05970	4.9
112.02170	7.9
112.03901	4.8
112.08695	3.5
116.07066	4.4
117.03368	5.4
129.10229	83.2
130.05002	9.7
130.08618	4.2
135.04391	13.6
140.01622	17.2
141.84413	3.3
142.04909	3.1
145.02823	10.4
145.04886	4.7
147.07611	3.3
147.11327	3.9
155.01563	2.9
159.11426	3.0
163.03893	100.0
170.02763	4.3
179.50755	3.1
181.04945	41.4
183.06329	2.8
185.16452	12.7
197.02052	3.1
197.07851	5.1
213.15852	5.6
228.17088	6.3
238.05304	8.8
243.04327	8.5
246.18137	5.9
256.06308	8.9
258.04285	4.4
264.10446	3.0
340.22610	11.0
341.22888	5.6
358.23837	12.3
359.07352	95.7
359.13000	36.0
359.16821	6.2
359.26385	16.7
360.07367	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	359.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34821	0.8
53.03985	0.7
69.03398	1.1
70.78970	1.0
74.44269	0.7
75.72263	0.8
78.23738	0.7
85.02901	1.9
94.77900	0.7
94.78563	0.9
94.99842	0.8
95.09172	0.8
95.89944	0.7
101.00871	11.1
113.00877	4.9
115.02402	4.1
119.01892	11.5
125.00871	1.5
127.02406	4.9
127.03934	1.4
127.84121	0.8
131.01891	10.7
133.03477	3.4
137.00839	1.7
139.02397	3.5
141.03893	1.0
143.01888	12.6
145.03427	21.5
146.03578	1.2
149.93375	0.8
151.02391	1.9
155.01871	20.3
156.02654	3.1
157.03432	14.8
158.03612	1.2
161.02957	10.1
162.03252	1.0
163.04547	1.2
167.01854	4.8
169.03442	10.9
171.01407	4.6
171.05011	2.1
173.02948	17.8
174.03235	0.9
175.04544	2.3
179.01913	2.6
181.03462	3.0
183.04997	1.8
185.02937	21.7
186.03128	0.9
187.04529	2.1
189.02493	2.4
193.03432	5.8
197.02942	18.7
198.03218	1.9
199.04419	5.9
203.03984	12.0
209.02908	7.5
210.03059	1.1
211.04469	6.3
213.02394	1.1
215.03983	2.4
221.02928	9.7
221.05058	22.7
222.05272	1.1
227.03998	8.3
231.82527	0.8
239.03946	7.1
241.05598	1.4
245.05000	2.1
254.05933	0.8
257.05057	2.5
259.06604	4.0
260.14441	0.8
269.05029	21.1
270.05273	2.4
285.04526	0.8
287.06067	41.2
288.06320	3.9
299.06076	12.3
300.06430	1.2
310.07590	1.0
317.07123	100.0
318.07291	9.1
340.08731	1.1
359.08142	4.5
360.08441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53771	0.8
56.96544	0.8
58.99849	0.7
69.03404	1.1
69.41875	3.1
70.06580	1.1
75.91886	0.7
79.29414	0.6
82.52457	0.7
82.99828	1.6
86.09684	2.2
97.01338	0.7
97.02875	1.2
98.97582	1.6
101.00874	11.6
103.47925	0.7
113.00858	3.9
115.02438	3.3
119.01900	11.6
125.00816	1.7
127.02402	5.6
129.03853	0.7
131.01875	8.4
133.03477	1.9
137.00783	2.5
139.02400	2.3
141.03935	1.0
143.01884	12.5
145.03442	21.4
146.03497	1.1
147.01370	1.6
151.02379	1.7
153.00294	0.8
153.03990	0.8
155.01866	22.9
156.02640	2.3
157.03452	12.4
159.01492	0.8
159.04958	0.8
160.13963	0.7
161.02934	8.9
163.04517	1.7
167.01894	5.3
169.03436	9.0
171.01350	6.2
171.05023	1.9
173.02930	20.0
174.03172	0.7
175.04503	1.7
179.01915	2.3
181.03418	3.9
183.05020	3.4
185.02922	23.3
186.03065	0.8
187.04472	1.7
189.02397	1.9
193.03427	4.9
197.02936	16.9
198.03137	1.7
199.04483	5.0
200.04805	0.8
203.03978	13.8
204.04192	0.8
209.02922	6.9
211.04491	5.4
215.04007	2.6
221.02913	10.6
221.05049	21.1
222.05212	2.0
227.04007	7.2
229.05519	1.0
237.02859	0.8
239.03903	7.0
241.05562	2.2
244.98219	0.6
245.05017	3.8
257.05038	2.9
259.06534	4.6
263.06055	0.9
269.05005	20.2
269.07770	1.4
269.10892	0.8
270.05280	1.2
277.80176	0.7
287.06076	38.4
288.06155	3.3
299.06052	15.4
299.09253	1.3
300.06451	1.2
317.07117	100.0
318.07257	6.5
324.23758	0.8
340.08578	1.2
359.08179	6.1
359.15356	1.1
359.23752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01613	2.5
55.01863	31.1
55.11814	1.7
57.18398	1.5
58.06590	1.7
58.99576	4.3
59.01720	1.5
62.95217	1.5
64.76601	1.3
68.05024	7.3
69.03417	3.9
70.06600	7.8
70.44003	2.0
72.08140	7.8
73.02918	1.8
74.00658	5.0
74.90781	1.4
76.04008	6.0
76.79195	1.6
80.05011	11.1
81.03412	2.7
82.02939	3.1
82.06576	8.8
83.04958	1.8
84.04491	38.5
84.08138	14.8
85.01096	1.8
85.02876	7.7
86.09696	11.8
86.85247	1.6
86.99011	1.9
88.03970	1.7
91.05428	1.8
96.04478	33.6
97.01114	4.7
97.02911	7.8
98.00635	12.1
98.06042	2.3
99.02664	3.9
99.04429	3.5
101.00592	19.4
108.04453	10.7
109.02888	1.8
110.06030	21.8
110.29143	1.7
112.02192	41.2
112.03943	27.9
113.00592	3.2
114.03767	2.4
114.05515	6.1
116.01680	4.6
116.07048	2.6
126.05548	2.3
126.98499	2.5
127.02114	12.8
127.03892	1.9
129.00043	12.3
129.10228	9.8
130.04984	51.4
130.08662	2.1
131.01636	6.6
135.04395	5.1
136.03915	18.0
136.07599	1.9
137.00513	1.9
137.05965	4.0
140.01630	100.0
141.01978	2.3
142.03201	31.5
142.04921	13.5
143.03511	2.4
143.04541	4.4
144.07968	1.6
145.02873	3.7
146.06039	1.7
154.03244	2.3
155.01595	14.6
158.02687	2.9
162.02179	3.4
163.03867	30.1
170.02672	13.9
172.04239	2.5
175.11899	1.9
178.08647	2.5
179.09000	3.3
181.04898	11.3
183.01041	3.0
184.04321	2.6
193.06078	7.1
197.05504	3.7
197.10089	2.1
199.05362	4.2
201.05420	1.7
210.05878	9.3
211.07135	3.6
212.03651	2.4
220.04222	2.6
227.04736	1.6
230.04788	8.0
238.05284	82.1
239.05496	3.0
243.04315	67.2
244.04631	2.9
245.05885	12.6
256.06360	33.9
257.06628	2.1
258.04282	25.4
266.04785	11.5
313.08554	5.0
341.07730	8.5
359.07870	6.1
359.12897	12.0
359.16675	38.1
359.24026	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	359.1485
Annotation	Negundin B
Peak:m/z	Relative Intensity
56.96544	1.3
65.61293	0.3
68.99751	0.6
69.03397	0.6
69.07045	0.5
69.62908	0.7
69.63253	1.2
71.04993	2.2
74.62321	0.4
79.05470	0.6
79.70554	0.4
81.07061	0.4
83.01308	1.3
91.05441	1.3
93.07040	1.8
95.04972	0.5
98.22647	0.7
98.96983	0.5
98.97575	5.7
103.05450	0.6
105.07028	0.4
107.05001	0.6
107.08588	0.7
107.72579	0.4
109.06458	0.6
109.10104	0.5
110.36098	0.5
116.98619	4.9
118.18619	0.4
118.98601	0.4
119.08597	0.4
119.64474	0.3
121.06476	5.2
131.04889	1.2
134.03572	0.6
134.99646	2.1
135.08014	0.9
136.08812	1.6
137.09607	1.0
143.04883	1.0
147.04379	0.8
149.02348	0.6
149.05960	2.7
149.09578	0.7
155.08537	0.4
161.05977	0.8
162.03108	7.8
169.06555	0.4
171.04323	0.8
177.05499	2.8
181.06462	0.7
189.05283	0.5
190.02582	15.4
191.03099	0.9
193.04919	1.7
193.06468	0.5
194.51308	0.4
198.18500	0.3
199.03912	3.7
199.07431	0.5
205.04933	100.0
206.05307	4.1
211.07523	0.6
213.05435	0.6
216.04134	0.7
217.05042	1.0
219.02934	0.5
219.06442	2.1
229.04912	2.0
231.06517	2.7
233.04491	0.9
233.07967	1.0
239.06995	0.7
243.06500	1.1
246.07591	0.4
247.09648	4.3
255.06519	2.7
256.07266	0.7
257.08099	2.0
261.07547	0.8
265.04877	1.1
265.12003	0.4
269.08069	2.3
271.09616	13.8
272.09970	0.6
281.08078	1.2
281.11646	0.6
282.12192	0.5
283.05954	1.5
283.09326	0.9
289.10672	6.8
290.11020	0.6
299.09091	2.5
299.12668	1.5
309.11258	3.4
311.08908	0.9
313.14337	1.0
317.13757	3.5
323.12717	4.8
324.13120	0.4
326.11472	2.8
341.13788	65.6
342.14133	6.0
359.14862	3.8
377.09100	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	359.1485
Annotation	Leptolide
Peak:m/z	Relative Intensity
55.05511	2.3
65.03931	7.0
67.04942	1.2
67.05492	2.5
69.03439	1.5
69.07069	2.2
72.08147	10.1
76.88877	1.4
79.05492	4.7
79.40005	1.3
81.07031	3.2
82.04205	1.7
85.02878	2.7
90.09187	1.6
90.62117	1.6
91.05464	8.6
93.07038	1.5
94.04211	1.6
95.04948	3.7
98.22668	1.9
103.05467	2.8
105.07024	2.8
107.04942	5.5
108.05790	1.4
109.06496	1.5
110.03651	3.4
112.86385	1.3
115.05405	1.6
117.06982	1.6
119.04927	7.8
121.02872	3.3
121.06483	2.8
123.04411	2.5
125.05941	1.9
129.06966	1.8
131.04877	2.5
131.08536	2.8
131.72644	1.3
133.02802	1.8
135.08040	4.0
137.05971	8.3
137.90663	1.2
144.05688	2.7
146.96461	1.4
147.04411	2.4
147.08023	1.5
149.05966	2.4
151.03876	4.8
151.07494	8.6
153.05479	3.5
153.06941	1.4
155.08415	1.5
159.08011	7.1
161.05916	5.0
161.09612	1.7
165.05536	1.4
165.06985	4.7
166.34212	1.4
167.07014	8.2
167.08383	3.0
169.06364	1.6
171.06538	4.2
175.07570	2.2
177.09161	1.8
178.07785	4.4
179.07051	2.7
179.08511	2.9
181.04955	27.9
181.06458	4.9
182.07172	3.5
183.08127	1.5
184.08794	1.8
190.07692	1.9
191.08527	2.5
194.07367	3.1
195.08028	9.3
197.05957	3.9
197.09593	1.8
202.07704	1.8
203.08585	2.0
205.06566	2.7
206.07278	2.5
207.08121	2.9
208.08781	1.8
209.06036	3.2
209.09598	3.7
210.06778	4.7
210.10280	1.6
211.07501	6.0
212.08282	5.0
220.08781	2.7
221.05978	3.5
221.09605	10.2
222.06793	3.6
222.10197	3.1
223.07533	12.4
224.08293	5.6
225.05452	2.9
225.09030	4.7
226.06137	1.8
227.07007	5.7
227.10599	2.4
233.05940	1.4
234.06718	2.6
235.07500	4.3
237.05325	2.2
237.09039	8.6
238.06145	2.6
238.09830	9.4
239.07031	4.6
239.10651	2.6
240.07784	9.1
241.08502	3.0
242.05742	3.9
247.07446	2.1
249.09111	6.7
250.06029	1.5
250.09851	2.2
251.07001	6.9
251.10533	1.6
252.07860	7.9
253.08551	17.4
253.12224	5.9
254.09235	3.3
255.06430	8.0
255.10056	7.5
257.08020	12.0
263.07074	1.7
265.08554	9.0
266.09381	6.1
267.06628	2.2
267.10144	5.7
268.07324	5.7
269.08044	12.1
270.08731	4.0
279.06595	1.7
280.07635	1.7
281.08481	7.4
281.11411	7.8
282.12332	1.7
283.06033	4.3
283.09637	14.7
284.10153	3.5
285.07578	4.5
295.09604	2.5
297.07574	8.0
298.08350	11.3
298.11847	3.6
299.09323	2.6
299.12729	5.3
300.09891	23.0
300.12946	1.6
301.10275	2.3
309.11243	5.7
311.08948	2.4
313.10645	100.0
313.14325	58.8
314.11020	8.9
314.14795	5.1
324.29028	3.8
325.97815	1.6
326.11334	9.2
327.12097	9.2
328.12570	2.1
331.15350	19.9
332.15610	1.6
341.09662	3.0
341.13782	56.2
341.31573	8.8
342.14102	5.5
348.25928	1.6
359.11606	3.5
359.14835	87.7
359.23300	4.9
359.32523	7.2
360.15295	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	359.1484
Annotation	Negundin B
Peak:m/z	Relative Intensity
51.07213	1.2
53.53559	1.3
67.05493	3.4
69.03421	1.3
70.94666	1.8
71.04987	2.2
93.07030	2.0
95.08604	2.4
97.06495	1.4
98.22909	2.1
103.05450	1.5
105.07024	2.0
107.08569	2.7
109.10135	5.3
121.06492	5.3
125.09599	1.9
131.04942	4.3
137.09619	3.4
146.94450	1.5
149.05974	2.3
159.04388	1.7
161.05978	2.4
162.03059	9.6
164.10248	1.6
181.06488	1.5
181.27544	1.6
189.05537	2.2
190.02599	21.8
193.04938	4.0
205.04935	100.0
206.05344	3.2
208.97479	1.3
217.04820	2.7
219.06508	12.1
221.04399	3.3
229.04906	1.8
231.06493	2.3
233.08080	2.9
237.95815	1.6
239.70927	1.4
243.06454	4.2
245.08070	3.4
247.05956	2.4
257.07977	3.7
269.08084	6.4
271.09579	16.0
283.09525	2.6
299.12805	4.3
313.14267	15.4
323.12711	7.0
329.13568	1.6
341.13766	13.7
359.14789	13.7
360.15182	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1484
Annotation	Prestegane B
Peak:m/z	Relative Intensity
51.74050	1.3
55.01859	3.1
65.03914	1.3
67.05485	1.7
68.31173	1.1
69.03451	1.4
69.72697	3.7
70.06598	1.3
72.08139	4.0
79.05487	5.2
81.03374	1.2
81.07054	2.2
81.26505	1.2
86.09691	4.0
91.05463	22.2
93.07057	2.0
94.04188	3.1
95.04978	3.4
95.08643	1.4
103.05444	10.5
105.03384	5.2
105.07020	8.0
107.04939	4.8
109.06518	5.2
115.05444	4.0
117.06995	2.5
119.04926	22.5
119.08595	1.5
120.84534	1.2
121.06513	5.9
122.03638	7.2
123.08099	1.3
125.06028	1.4
127.35659	1.2
129.06898	1.5
131.04892	10.9
133.02798	2.2
133.06438	6.2
135.04367	1.7
135.07982	1.6
137.05956	100.0
138.06273	4.0
143.04904	1.9
145.06418	3.1
147.04379	14.5
147.07999	3.3
149.05945	10.6
150.06725	2.1
151.03935	2.6
151.07521	10.7
153.05458	2.4
157.06512	1.7
159.08044	3.6
160.05176	2.8
161.05959	24.7
162.06747	7.5
163.07553	4.9
165.05565	1.3
167.07056	3.4
172.05135	1.6
175.07524	19.4
177.05441	1.3
179.07050	7.5
181.05008	2.5
181.06432	2.7
187.07507	15.7
189.09091	1.9
190.06143	1.5
190.07690	1.3
191.08565	4.2
193.06828	1.4
193.08514	6.2
195.08052	2.4
197.11629	2.2
202.07800	1.7
203.08597	4.9
205.08530	13.1
207.07964	1.9
210.06651	1.8
211.07520	1.8
212.08324	1.2
217.08565	2.0
218.07184	2.2
219.08025	4.1
221.09436	1.4
223.07535	2.6
225.09190	1.5
231.08064	3.8
235.07513	3.1
237.09077	2.7
239.07014	2.1
247.07498	4.2
248.08279	2.2
251.10623	3.8
253.08592	4.1
255.10242	2.4
259.07510	3.1
263.07312	1.5
263.10559	2.8
264.07892	1.7
265.08572	2.7
267.10147	2.2
269.08026	2.3
269.11597	1.6
279.10114	4.9
280.10822	1.4
281.08008	4.3
283.09494	2.6
291.10062	3.7
296.10324	4.3
297.11035	1.9
299.09235	2.5
300.09796	2.7
309.11188	5.4
311.12753	5.7
313.10635	10.8
313.14343	5.7
323.12778	3.0
327.12277	2.8
329.13708	1.6
331.15497	2.1
341.13800	5.4
342.14566	1.6
359.07358	1.6
359.14737	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1485
Annotation	Leptolide
Peak:m/z	Relative Intensity
52.36218	0.6
55.01854	0.9
65.03931	4.2
67.05492	1.5
79.05499	1.8
82.04179	1.7
84.08138	1.5
85.02892	2.6
91.05455	1.9
93.03394	1.3
93.07032	0.8
95.04981	1.8
99.58252	0.8
103.05444	1.2
105.07011	1.5
107.04953	2.4
108.02077	1.0
110.03639	2.3
111.04432	1.9
115.05446	1.2
121.02843	3.1
121.06509	2.2
122.03624	0.8
123.04361	0.8
123.54750	0.8
124.05151	0.8
125.05972	2.7
128.06239	0.8
128.45148	0.8
129.07001	1.6
129.10175	1.0
130.06558	0.8
131.04897	1.3
131.08559	1.2
133.06494	0.8
135.08005	3.9
137.05943	4.9
138.03116	2.0
141.06955	1.0
144.05692	2.4
145.06442	1.8
149.02324	0.9
151.03879	2.1
152.06224	1.5
153.05426	4.3
153.06973	1.4
159.08052	5.8
161.05965	2.8
161.09631	2.2
165.05655	1.1
165.06863	3.7
166.07687	1.5
167.07025	7.0
167.08568	2.2
169.06499	2.1
171.06519	3.1
171.07986	1.3
173.53505	0.8
175.07579	0.8
177.06926	1.3
177.09026	0.8
178.07736	3.3
179.08528	2.2
181.04933	27.0
181.06462	6.2
181.10065	1.4
182.05251	0.6
182.07254	2.2
183.08064	1.4
183.44304	0.8
187.07645	1.2
189.06981	1.1
190.07695	1.3
191.08530	2.8
193.10127	1.6
194.07277	3.4
195.08003	9.9
196.05246	1.2
196.08813	1.4
197.05963	3.3
197.09605	2.8
199.07533	1.9
202.07736	1.1
203.08514	1.3
204.09230	0.9
205.06462	2.5
206.07242	2.8
207.07988	3.4
209.05940	4.3
209.09628	2.3
210.06676	4.2
210.10286	1.8
211.07497	6.4
212.08301	3.4
213.09042	1.6
219.08052	3.3
220.08795	2.0
221.06068	1.4
221.09578	11.1
222.06738	2.5
222.10301	3.3
223.07516	13.5
223.11044	1.0
224.08276	4.9
225.05490	1.2
225.09076	4.5
226.06241	0.9
227.07034	3.7
227.10693	2.3
234.06752	2.1
235.07506	2.5
236.04538	0.8
236.08165	1.9
237.05408	2.4
237.09081	9.0
238.06166	2.2
238.09830	8.7
239.07004	5.2
239.10602	2.9
240.04105	0.9
240.07877	6.1
241.08678	3.7
242.05751	3.3
242.09271	1.1
247.07614	1.2
248.08257	1.6
249.08994	6.5
250.06256	1.3
250.09875	3.4
251.07004	6.7
251.10582	1.3
252.07765	8.0
253.08556	14.7
253.12224	8.0
254.05621	0.9
254.09320	1.7
255.06523	6.9
255.10173	6.5
256.07278	0.9
256.10712	1.0
257.07990	9.3
258.08310	1.0
263.10751	1.2
265.08597	7.8
266.09338	5.3
267.06467	1.7
267.10089	6.7
268.07373	4.1
269.08054	15.1
270.08734	2.5
271.09628	1.1
272.10306	1.5
277.08539	1.2
280.07303	2.2
281.08081	7.6
281.11710	8.8
282.08817	1.7
282.12393	2.4
283.06055	4.3
283.09647	15.2
284.10217	2.8
285.07620	4.5
285.10806	1.3
295.09555	2.0
297.07617	9.4
297.10910	1.0
298.08307	11.1
298.11902	3.6
299.09351	1.1
299.12741	3.2
300.09882	23.7
300.12836	0.9
301.10364	2.1
309.11224	4.7
310.11807	1.6
311.09064	2.4
312.09909	1.2
313.10651	100.0
313.14319	61.8
314.10992	7.7
314.14642	6.3
323.12872	1.0
325.10809	1.3
326.11374	8.4
327.12137	11.1
328.12589	1.5
331.15353	21.7
332.15732	1.7
332.21640	0.9
341.13788	53.0
342.14206	4.8
350.22552	1.0
359.14850	78.0
359.23071	10.8
359.73398	2.0
360.15225	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1485
Annotation	Chaetoquadrin G
Peak:m/z	Relative Intensity
51.59804	1.4
53.03917	1.5
55.01870	2.2
55.05508	2.2
65.03933	6.6
67.05505	3.5
69.03427	2.6
69.50600	7.3
70.65767	1.3
74.81998	1.4
79.05473	1.7
81.03430	1.4
81.07041	3.6
83.01337	1.6
83.04963	2.6
85.06545	1.7
91.05473	6.1
93.07034	3.9
95.04958	6.3
95.08580	3.4
97.06551	1.8
98.22736	2.6
105.07025	5.1
106.04142	2.3
107.04948	6.4
107.08572	3.2
109.06506	2.1
109.10120	3.5
110.03608	2.8
110.58322	2.1
111.04443	4.5
115.05411	2.8
119.04921	2.2
119.08515	2.1
121.02850	13.7
121.03997	2.0
121.06465	8.6
125.05943	4.5
125.09589	2.9
129.06989	3.5
131.04907	4.2
133.02797	1.9
133.10138	1.5
134.03635	2.1
135.08023	1.5
136.85001	1.9
137.05978	4.3
141.06953	2.3
143.42816	1.4
145.06401	1.8
149.02339	5.0
149.05952	3.8
151.03847	2.2
151.07597	1.8
153.05450	6.6
159.04387	1.6
159.07983	2.2
161.05977	6.8
162.03114	8.6
165.06966	3.5
167.07031	4.3
167.08539	3.1
169.06348	1.9
175.07559	1.8
177.05461	2.9
177.06906	2.0
178.07776	3.4
179.03317	1.7
179.08513	1.5
181.04964	6.0
181.06473	5.8
182.07193	3.2
183.08049	2.8
189.05475	3.9
190.02576	17.8
191.03249	1.5
191.07013	2.2
191.08588	2.5
193.04955	2.4
194.02083	1.6
194.07236	3.6
195.08081	8.9
197.05957	3.9
197.09618	3.4
199.07619	2.5
200.59277	1.5
205.04932	100.0
206.05284	5.8
206.07118	3.0
207.08035	3.8
209.05927	2.9
210.06664	8.5
211.07469	7.2
212.08257	3.1
213.05408	4.3
213.09047	3.6
217.04932	9.5
219.02872	3.6
219.06398	8.5
221.04443	4.1
221.09569	4.6
222.06737	2.6
223.07515	8.1
224.08289	3.9
225.05392	1.8
225.09073	6.0
227.07002	5.1
227.10678	2.7
228.07669	2.2
229.04872	3.5
233.07988	2.7
234.06621	2.3
237.09070	5.5
238.06171	4.6
238.09775	3.1
239.07014	9.3
239.10617	3.2
240.07794	15.3
241.08583	3.0
243.06554	5.7
243.13564	1.7
245.08092	7.6
247.09616	2.7
249.09122	2.5
251.07013	4.9
251.10576	1.7
252.07849	3.0
253.08560	31.6
253.12198	7.9
254.09195	5.2
255.06477	5.0
255.10164	7.4
257.08121	8.6
259.09631	3.9
263.09061	2.0
265.08539	3.9
266.09381	4.5
267.06418	1.6
267.10117	2.9
268.07211	4.8
269.08005	7.8
270.08804	4.0
271.09549	15.5
271.12540	2.1
272.10114	1.8
281.08063	7.8
281.11703	8.5
282.08783	2.1
283.06357	2.4
283.09641	12.2
284.10419	6.3
285.11108	2.1
286.04596	2.2
289.10681	3.2
295.09558	3.3
297.07739	2.3
297.11044	3.6
298.08176	4.5
298.11493	2.3
299.09341	2.8
299.12665	10.7
300.09845	4.9
303.16016	1.8
309.11179	6.5
310.11786	3.9
311.09225	1.7
311.12558	2.6
313.10632	28.6
313.14294	22.3
323.12646	4.3
326.11520	3.5
327.12216	49.1
328.12753	5.3
331.15216	9.7
341.10025	1.5
341.13766	40.1
342.14291	2.3
359.11563	2.0
359.14807	49.0
359.22852	8.0
359.73270	2.6
360.15155	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	359.1486
Annotation	Prestegane B
Peak:m/z	Relative Intensity
53.06923	1.1
55.01859	4.0
61.48606	1.2
65.03928	1.8
69.57850	5.5
70.90514	1.2
72.08138	1.4
75.95467	1.2
79.05473	6.4
84.08124	2.2
85.02898	1.6
86.09683	2.4
91.05466	22.4
93.07021	4.0
94.04173	3.2
95.04952	5.8
103.05481	9.3
105.03383	2.9
105.04502	1.6
105.07024	9.5
107.04947	5.7
109.06496	5.7
115.05426	4.1
117.07024	2.1
118.04152	1.2
119.04929	27.6
119.08566	1.2
120.35941	1.4
120.36758	1.2
121.06504	7.4
122.03635	8.0
123.08051	2.6
125.06014	1.9
128.06265	1.3
129.06923	2.9
130.04117	1.6
131.04909	8.7
133.02798	2.5
133.06491	8.2
135.04405	1.9
137.05959	100.0
138.06293	2.7
140.84271	1.1
143.04948	1.8
144.05717	1.9
145.06436	2.9
147.04396	15.0
147.08047	4.9
149.05972	11.3
150.06755	1.6
151.03857	4.5
151.04987	1.7
151.07512	11.6
153.05414	2.0
157.06403	1.5
159.08006	3.8
160.05231	1.9
161.05963	25.3
162.06735	7.3
163.03813	1.4
163.07497	4.4
165.05472	2.1
167.07066	1.5
172.05077	1.8
173.00175	1.2
175.07526	21.5
177.05510	1.4
179.07008	9.4
179.08487	2.0
180.07916	1.3
187.07509	16.6
188.07886	1.5
189.09077	2.6
190.07796	1.6
191.08563	3.1
193.08586	7.5
202.07704	1.8
203.08510	3.5
205.08562	12.9
207.07980	1.7
217.08440	2.1
219.08035	5.9
231.08044	5.4
235.07483	1.5
235.09676	1.4
247.07495	3.4
248.08382	3.2
251.10664	4.8
253.08711	1.9
259.07480	3.3
263.10754	2.1
265.08588	2.1
279.10159	4.7
283.09497	1.9
291.10089	3.1
296.10373	3.0
297.11044	1.5
309.11148	6.2
310.12006	1.5
311.12555	3.1
313.10742	1.8
313.14041	1.9
315.12073	1.4
323.12665	1.4
327.12207	4.0
341.13684	2.4
359.15530	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	359.1486
Annotation	Chaetoquadrin H
Peak:m/z	Relative Intensity
52.43374	1.1
55.01865	1.6
55.05519	1.7
59.04986	1.2
65.03937	1.3
67.05490	4.9
69.07063	3.4
69.99672	2.4
71.04987	3.9
79.05482	3.1
79.09365	1.1
81.07039	5.8
83.01331	2.0
85.06532	4.9
91.05465	4.0
93.07049	4.1
95.04954	3.5
95.08604	3.9
97.06517	4.2
98.22721	1.1
103.05470	2.1
105.03407	1.2
105.07023	4.3
107.04932	2.4
107.08582	4.3
109.06501	2.4
109.10150	22.5
111.04424	1.7
115.05457	1.9
119.04934	1.5
121.02833	2.4
121.06461	7.8
123.08051	1.9
125.09637	2.5
127.11177	5.4
129.07010	1.4
131.04915	3.7
131.08578	1.7
133.02855	2.1
133.10123	3.4
135.04462	1.2
135.08083	1.2
137.05931	2.7
137.09633	1.5
139.11179	3.7
145.06485	1.4
146.03665	1.2
147.04338	1.7
149.02284	2.6
149.06047	2.9
149.09515	1.3
151.10985	1.3
153.05435	1.8
159.04436	1.5
161.05962	5.4
161.09718	1.1
162.03087	7.2
162.06544	1.0
163.03867	1.7
165.05455	4.8
167.07053	2.6
173.05963	1.0
175.07539	1.6
177.05434	3.9
179.07066	2.1
179.08604	1.3
181.06461	1.9
183.07916	2.0
186.06763	1.2
189.05449	4.3
190.02582	15.7
191.03258	1.8
193.04953	4.0
195.08041	3.5
197.06076	1.8
197.09592	1.4
198.06779	1.4
199.03764	2.1
201.05429	1.2
201.08968	1.9
203.06969	1.8
205.04939	100.0
206.05292	3.8
210.06732	1.7
211.07529	3.3
213.05373	2.5
215.07146	1.4
217.04955	4.6
219.02823	3.5
219.06458	9.1
221.04398	14.5
223.07484	2.7
227.07077	3.0
229.04941	5.1
229.08574	2.4
231.06514	3.7
233.04381	1.7
233.08092	2.5
235.05966	2.6
238.06268	1.5
239.06952	2.4
240.07767	2.2
241.08461	1.2
243.06409	7.3
243.10278	1.5
245.08090	6.6
247.09592	1.4
249.09174	1.7
253.08669	5.6
255.06447	1.7
256.07190	1.4
257.08084	8.5
259.06064	1.7
259.09622	3.7
261.07520	3.6
261.11121	2.4
269.08105	3.3
271.06400	1.7
271.09595	20.0
273.07620	1.3
273.11075	2.1
281.08035	3.2
281.11737	1.7
283.09662	8.2
285.07684	2.2
285.11255	2.1
287.09140	1.6
289.10648	4.3
297.11179	1.4
299.09177	3.8
299.12698	8.3
301.10742	5.1
309.11038	2.1
311.12723	2.9
313.10687	6.3
313.14313	5.5
317.13699	1.3
323.12820	5.2
327.12286	7.6
331.15393	1.7
341.09442	3.5
341.13754	26.9
342.13995	2.4
359.10773	2.4
359.14777	22.9
359.23260	2.4
360.15189	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13599	0.6
54.13945	0.6
63.59251	0.7
67.28843	0.7
69.61116	2.4
71.23310	0.7
73.28033	0.7
79.05473	2.2
81.07057	1.7
91.05488	1.0
95.04906	0.9
107.04927	3.2
107.08584	1.5
109.10114	1.4
117.38723	0.7
119.58502	0.7
120.02049	0.8
121.06491	1.6
122.27999	0.6
123.51331	0.7
125.09589	3.5
131.04874	0.8
135.04390	1.4
148.01479	3.8
149.06024	0.7
155.08527	1.2
162.03111	1.5
163.03871	6.5
176.01047	4.5
176.04660	7.1
177.05394	0.9
185.02307	1.1
190.02591	2.5
191.03334	5.4
193.04825	1.5
194.02100	19.3
195.02527	0.8
202.02705	0.9
204.00525	5.1
204.04153	13.5
205.04950	16.3
217.05025	1.0
219.02861	100.0
219.06454	8.8
220.03162	4.2
221.04413	0.8
222.01553	23.2
223.01949	1.0
233.04387	1.4
235.06018	3.6
237.03902	40.7
237.07640	1.6
238.04213	2.2
239.06926	1.1
271.09619	43.0
272.09869	2.6
273.07410	2.2
289.10782	1.4
297.20914	0.7
341.13748	1.5
359.14627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03949	1.5
55.01863	1.9
55.05498	1.0
57.03421	3.0
59.04984	0.8
61.02914	2.9
67.05484	2.3
69.03421	11.1
69.07025	0.7
70.06596	4.0
71.04967	1.7
71.43854	0.8
72.08135	2.4
73.02913	1.8
76.79826	0.6
79.05475	2.9
81.03414	4.8
81.07053	4.7
83.04975	0.9
84.08121	2.0
85.02898	34.9
86.09696	4.5
87.04453	1.0
91.03924	0.9
91.05461	8.8
93.07038	9.3
95.04951	3.7
95.08589	1.4
97.02882	8.2
99.04436	2.0
103.05450	1.4
105.03342	0.9
105.07021	11.0
107.04937	1.2
107.08582	29.8
108.08944	0.7
109.02856	4.0
109.06494	2.4
109.10155	3.5
119.08574	3.9
121.06507	2.4
121.10107	1.2
123.04398	2.9
123.08040	0.8
123.11738	1.6
127.03893	7.1
129.10246	1.2
131.04892	1.0
131.08574	0.8
132.10158	0.9
133.10115	23.9
135.11681	15.6
137.05951	5.7
137.09599	3.1
143.08606	0.9
145.04947	4.1
151.11143	1.8
161.09608	10.5
163.03888	1.2
174.22295	0.7
179.10651	33.7
180.07657	0.8
180.11053	1.1
182.36098	0.8
182.83080	0.7
191.14346	0.9
197.11705	100.0
198.12134	4.4
209.15279	0.8
232.23087	0.7
271.06192	0.9
359.12720	2.0
359.16736	9.4
359.23868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03938	1.0
55.01873	1.4
57.03432	2.2
59.04999	0.9
60.92037	0.8
61.02925	2.9
63.42138	0.8
65.41357	0.8
67.05505	1.3
69.03425	7.3
69.07059	2.1
69.72268	2.9
70.06589	1.0
73.02914	1.3
79.05486	2.6
81.03410	3.2
81.07006	0.8
83.01351	0.8
83.04990	1.0
85.02895	29.8
86.09710	7.7
91.05471	6.4
93.07043	7.6
94.07344	1.0
95.04964	2.7
97.02888	7.2
98.23404	1.0
99.04440	1.7
103.05463	1.6
105.07024	9.3
107.08587	18.9
109.02898	3.2
109.06506	1.8
109.10143	1.9
117.07000	1.2
119.04936	1.4
119.08578	3.0
121.06519	2.9
123.04416	2.4
123.11706	1.0
124.22866	0.8
127.03902	6.1
131.04945	1.9
133.10104	20.4
135.08066	1.6
135.11667	21.0
137.05975	7.1
137.09615	1.9
141.05522	0.9
145.04921	2.1
147.04364	1.7
148.04713	0.7
149.06015	1.5
151.03883	1.7
151.07558	0.9
151.11177	1.9
161.05945	1.2
161.09599	10.4
163.07545	1.5
166.08611	0.9
175.07510	1.5
179.10649	37.8
180.11005	1.7
180.79549	0.8
191.07036	1.8
193.89861	0.9
196.71680	0.8
197.11703	100.0
198.12076	5.0
205.05000	2.3
208.09633	2.9
208.97218	0.9
225.08821	1.1
228.13399	1.6
246.14423	1.0
285.54437	1.0
286.36194	0.9
299.12778	1.0
359.10580	1.1
359.16425	2.7
360.10434	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	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45584	0.8
55.01868	1.5
61.02913	1.1
66.87901	0.8
69.03432	2.7
70.06592	1.9
73.02915	1.5
75.51005	0.9
79.05481	3.0
81.03398	1.2
81.07054	1.7
84.08146	0.9
85.02903	10.6
86.09701	13.5
91.05466	5.9
93.07039	6.4
95.08598	1.6
97.02884	2.6
98.22643	2.3
100.34982	0.8
105.07021	8.2
107.08581	35.4
109.10163	2.2
115.05455	0.9
119.08576	5.7
121.06483	1.3
121.10133	5.7
127.03927	1.7
129.10184	1.3
131.08595	1.2
132.10178	1.3
133.10124	18.8
137.05975	3.6
138.06305	1.1
139.07538	1.0
143.11804	2.5
145.04961	0.9
149.05954	1.0
149.09625	3.6
151.07550	1.9
151.11168	7.1
161.09628	5.6
167.10669	12.3
179.10663	16.1
180.98622	0.9
189.12325	2.2
195.06393	0.9
197.08031	4.7
197.11708	100.0
198.12009	4.4
200.13963	1.9
201.12321	3.0
225.05592	1.0
242.09483	0.8
271.06116	0.9
334.76105	1.1
359.12897	4.0
359.23914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1957
Annotation	Gelsemicine
Peak:m/z	Relative Intensity
50.02670	4.1
55.05506	6.1
57.07072	15.1
58.06588	27.2
67.05513	7.9
67.99576	5.0
69.07066	10.8
69.59454	3.9
70.06592	5.0
70.62329	4.3
72.02690	5.3
74.06080	9.5
81.07050	7.8
83.08621	8.0
83.35314	4.7
88.07629	36.9
89.07959	4.5
93.07052	5.6
93.24765	5.3
95.08598	4.8
97.10126	4.3
108.40561	4.2
118.69485	4.4
119.25872	4.4
137.30713	4.8
156.17455	15.7
186.18570	10.1
201.22227	4.2
205.04977	10.8
210.73888	4.2
212.23700	8.5
235.05942	10.9
310.34656	28.9
311.34900	7.5
358.36646	90.9
359.19580	100.0
359.37073	47.2
360.19879	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	359.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56161	1.9
55.05505	17.3
56.04964	1.9
57.03430	7.8
57.07070	100.0
58.06589	5.1
60.95297	2.0
67.05495	28.8
69.07062	20.4
69.11263	12.9
70.06577	5.4
71.06911	2.1
71.08625	72.8
75.04433	3.2
77.00589	2.3
81.07047	36.4
83.08603	17.3
85.10176	41.2
88.07623	5.1
93.07036	2.3
95.08595	57.7
97.10157	20.3
99.11702	2.6
105.03713	47.1
106.08691	3.5
108.38640	1.7
109.10143	26.5
111.11727	9.9
122.06368	14.9
123.11683	11.5
137.13242	7.7
171.49268	2.5
177.08829	2.8
189.08904	2.1
201.89818	2.0
249.25725	2.6
267.26797	10.0
273.32132	1.9
285.27875	6.4
296.29446	87.5
341.30444	49.7
342.30893	3.2
359.37094	35.5
360.29330	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	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
61.02912	1.4
65.52217	0.5
68.51277	0.4
69.03414	1.9
69.47104	1.9
71.05009	0.4
79.05492	0.4
81.03397	1.2
85.02892	11.0
86.37337	0.4
89.03890	3.0
97.02882	3.0
99.04459	0.5
107.04958	1.1
109.02875	0.8
117.03358	5.5
127.03920	2.0
135.04393	10.2
139.03868	0.7
145.02840	9.3
145.04886	3.1
148.01878	0.4
153.72404	0.5
163.03879	100.0
164.04248	2.8
171.53708	0.4
180.08636	1.1
181.04927	42.6
182.05327	1.1
198.07549	0.5
272.43152	0.5
282.18704	0.4
369.30118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.4
69.03414	0.9
69.07057	1.1
69.12846	3.1
70.06580	4.4
71.04960	0.6
72.08145	1.1
79.05487	1.3
81.03406	0.8
83.34148	0.5
84.08115	1.1
85.02891	2.3
86.09695	7.8
87.05590	0.7
87.10043	0.8
91.05466	2.0
93.07033	0.6
95.04939	1.7
97.02870	1.2
103.05461	0.8
105.03368	0.6
105.04514	0.7
105.07025	1.2
107.04939	1.8
107.08572	0.8
109.06510	0.5
119.04944	1.3
121.02869	2.9
121.04019	0.6
122.03586	0.9
127.03910	0.7
129.07022	0.9
131.04913	0.8
132.10167	0.7
133.02812	3.1
135.04413	1.9
137.05954	4.7
138.06322	2.4
141.10216	1.0
145.04889	0.7
147.04381	1.4
149.02328	100.0
150.02692	3.0
151.03888	1.0
151.07510	1.5
153.05487	0.8
155.11790	0.6
161.05962	3.1
162.06444	0.6
163.03893	65.6
163.07523	1.5
164.04242	1.6
167.03394	1.5
167.07036	1.7
175.07570	0.8
176.07860	1.2
179.07028	0.7
179.08488	0.6
180.07489	0.5
181.04945	26.4
181.08551	2.0
182.05234	0.9
183.11256	0.6
187.07538	0.6
188.07924	0.6
189.09067	1.4
200.13960	2.6
201.12318	0.7
201.14162	1.0
205.08685	0.8
207.10080	0.6
213.12331	0.5
213.70892	0.6
225.09184	0.6
228.13348	0.7
229.11725	0.6
234.10420	0.5
255.06332	0.6
280.10526	0.7
285.11359	0.6
311.12894	0.5
315.08551	1.8
317.13583	0.5
342.13596	0.5
342.19595	0.6
360.15457	1.2
361.14426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55338	1.5
96.03194	1.8
105.03367	10.2
113.28484	1.8
132.04430	73.9
133.02829	100.0
134.03088	3.5
136.97447	1.6
158.80461	1.6
164.07043	44.2
165.05463	21.6
165.06996	19.2
180.08076	5.0
185.83041	1.6
191.49411	1.5
196.09674	3.1
205.47327	1.6
208.07503	8.4
209.08253	2.0
212.23868	2.0
236.07019	79.7
237.07365	3.8
250.08745	2.3
251.06944	2.0
268.09613	9.7
278.07831	2.8
283.09628	4.5
296.09091	8.0
311.09015	3.0
328.11819	5.4
360.30878	2.3
361.30743	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	360.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
52.44456	0.3
55.01871	0.6
57.03427	1.5
65.03953	0.4
67.05476	0.8
68.99783	1.7
69.03418	0.8
69.56427	1.1
69.56759	0.3
70.06572	2.8
72.08152	0.3
73.73574	0.3
79.05474	1.0
81.07047	1.2
83.01342	0.9
83.04961	0.7
83.06044	0.4
85.02880	0.9
86.09682	1.1
91.05472	2.2
93.07037	0.9
95.04957	2.9
95.08597	0.8
98.22713	0.7
103.05445	1.5
105.03303	0.4
105.07027	1.5
107.04927	1.4
107.08561	1.2
109.02785	0.3
115.05450	1.0
117.07010	2.8
119.04926	3.3
121.02826	0.5
121.06489	4.5
123.04411	22.2
124.04745	0.6
125.02319	0.4
129.06972	0.5
129.10214	0.3
131.04930	2.6
135.04388	2.2
135.08022	3.7
136.07532	2.1
137.05957	1.4
139.03914	0.4
141.06943	0.4
145.06496	3.0
147.04385	8.2
149.05956	2.9
151.03874	1.7
157.06494	0.4
161.05988	2.2
162.09091	0.4
163.03902	3.1
163.07521	13.2
164.07921	0.6
165.05444	4.7
167.07030	0.5
173.05957	7.3
175.07520	1.0
176.04631	0.9
179.06996	4.3
181.04942	0.9
181.12248	0.8
183.11304	0.3
185.05879	0.5
187.07526	0.6
188.07028	0.6
189.05444	0.5
190.08601	13.2
190.83278	0.3
191.07002	64.4
192.07330	2.4
203.07019	2.9
208.09654	100.0
209.10005	4.7
220.09671	1.1
221.07996	0.4
233.07784	0.3
265.96640	0.3
307.09494	0.4
325.10605	4.9
342.13297	3.0
343.11636	4.3
344.11823	0.3
360.14291	22.3
361.14648	1.9
361.18549	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55498	0.3
55.01870	0.8
57.03433	1.2
67.05502	0.6
68.99763	1.8
70.06585	2.6
70.27558	0.3
70.48831	0.6
77.03912	0.4
79.05486	0.8
79.14882	0.4
81.07034	0.9
83.01331	0.8
86.09721	0.5
91.05461	2.0
93.07042	0.6
95.04945	3.0
95.08604	0.6
98.22697	0.4
103.05495	0.4
105.03409	0.6
105.07015	1.5
107.04945	1.7
107.08556	1.5
115.05420	0.6
117.06995	3.7
119.04940	2.7
119.08566	0.6
121.02821	0.5
121.06482	4.0
123.04408	19.5
124.04749	0.5
131.04886	0.8
135.04378	2.2
135.08017	3.5
136.07562	2.3
137.05949	1.9
138.06332	0.4
139.03886	0.4
145.06435	2.9
147.04379	7.3
148.05040	0.4
149.05965	3.0
151.03850	2.0
157.06483	0.5
161.05975	1.8
162.09084	0.6
163.03844	2.0
163.07513	13.0
164.07893	0.8
165.05444	4.5
167.06987	1.1
173.05934	6.8
175.07535	1.1
176.04715	0.6
179.06999	5.3
181.12170	0.5
185.05882	0.8
188.07074	1.1
189.05475	0.6
190.08598	12.8
191.06996	63.8
192.07355	3.0
203.06989	3.4
208.09648	100.0
209.10008	4.5
220.09671	1.5
267.74930	0.4
299.08878	0.4
325.10651	5.1
342.13300	3.1
343.11728	3.5
349.80991	0.5
360.14246	21.1
361.14651	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93556	0.8
53.03249	0.7
55.01857	1.1
57.03429	1.8
61.02896	1.2
64.25257	0.7
66.01440	0.7
67.05481	1.0
68.99763	1.5
69.03406	1.2
70.06580	5.8
70.90203	0.7
72.08137	1.2
73.69015	0.6
79.05470	1.8
80.76000	0.9
81.03379	1.3
81.07046	2.2
83.01314	0.8
85.02897	6.6
91.05451	3.0
93.07014	1.8
95.04945	3.1
95.08582	1.2
96.08128	0.8
97.02876	2.3
103.05431	5.7
105.03368	0.9
105.07004	1.7
107.04971	1.6
107.08580	1.9
108.08057	1.1
109.02862	1.8
110.09632	1.1
115.05441	0.8
117.06976	4.0
119.04926	2.2
120.04382	0.8
120.08070	1.8
121.06496	3.8
121.10076	0.8
123.04407	90.7
124.04729	2.9
127.03882	1.9
131.04897	16.3
135.04375	2.5
135.08014	4.1
136.07568	3.8
137.05916	4.0
138.06357	1.2
138.09140	1.7
139.20384	0.7
144.08107	0.8
145.04976	0.8
145.06468	4.0
145.96384	0.9
146.05981	2.2
147.04378	8.2
148.03860	4.7
148.04852	0.7
149.05969	3.1
151.03841	2.7
151.07478	0.8
157.06514	0.8
161.05992	2.1
163.03900	2.4
163.07509	39.4
164.07944	0.8
165.05438	5.3
166.08635	4.5
167.06992	1.3
172.03923	1.9
173.05943	8.3
179.06935	6.1
181.04942	1.9
181.08577	3.8
190.04889	4.3
190.08600	11.9
191.06995	62.7
192.07379	2.2
197.11794	1.8
198.12061	2.4
203.06987	3.1
207.06400	1.0
208.09648	100.0
209.10008	3.8
220.09642	1.7
232.29689	0.8
271.14343	0.8
299.13846	1.3
301.11697	2.4
325.10757	6.4
342.13208	5.0
343.11572	4.4
360.10672	1.4
360.14255	22.2
361.14273	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88160	2.7
57.03430	4.0
65.73221	2.8
69.03419	19.5
69.49917	11.2
73.02903	4.6
81.03406	6.2
84.91173	33.9
85.02898	64.9
96.26993	3.0
97.02886	22.2
99.04472	4.8
99.65079	3.0
101.00896	3.1
106.74854	3.7
109.02941	3.6
119.01910	7.3
120.02012	5.0
127.03912	35.3
131.18594	2.7
132.01987	4.6
133.01752	2.9
143.01881	4.6
144.02028	4.3
145.03456	9.6
145.04950	37.0
146.03561	12.8
147.03223	5.9
155.01900	5.5
156.02037	9.5
157.01602	3.6
157.03517	4.2
158.03647	6.8
162.03221	4.8
163.06068	10.3
168.02145	3.3
170.03682	4.0
172.01643	4.7
173.02969	4.9
174.03154	11.7
185.02991	8.5
186.03143	9.9
194.03740	3.8
195.03125	4.0
197.02919	7.6
198.03127	13.8
199.02690	3.7
204.04167	8.2
221.05084	7.6
222.03152	6.7
222.05232	18.7
228.04274	3.7
240.04094	5.7
246.05182	3.8
258.05325	3.6
260.06689	3.6
269.05023	3.1
270.05304	12.8
271.04752	5.3
287.06079	8.4
288.06302	41.3
289.06076	9.2
299.06482	4.1
300.06326	11.2
301.06174	5.1
317.07135	13.4
318.07324	100.0
319.06995	28.8
360.08365	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	360.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50713	0.5
53.03915	0.5
54.40046	0.5
55.01865	1.0
57.03428	0.7
61.02908	1.6
67.05517	0.6
69.03413	2.1
70.06580	0.7
70.62749	0.5
72.08145	3.7
73.02911	0.7
75.79526	0.5
81.03414	1.2
84.04481	0.7
85.02894	12.0
86.04781	0.5
86.09706	0.6
88.43668	0.5
91.03938	0.7
92.79071	0.6
97.02888	3.2
102.05511	0.6
105.03400	0.6
109.02840	1.2
111.71082	0.5
117.06996	1.4
119.04963	0.5
123.04413	100.0
124.04758	3.0
127.03907	2.0
135.08031	2.0
137.05989	0.8
145.04971	2.7
145.06480	2.4
147.04385	1.4
158.07631	0.5
163.07515	31.9
164.07922	1.6
165.05502	1.1
166.03001	0.5
166.08701	0.5
179.07025	1.0
180.08681	1.3
181.08537	7.9
190.08624	0.9
191.07005	5.4
201.12326	1.4
208.09673	6.1
209.10008	0.6
229.11719	1.2
360.13638	1.3
360.17065	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	360.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.9
58.06598	1.5
58.38726	1.0
68.03890	1.1
69.03436	1.4
69.77397	1.8
69.77783	1.9
70.06579	7.5
81.03431	1.2
83.03295	1.0
85.02475	1.0
85.02898	6.9
91.05480	1.2
95.04970	1.5
95.08608	0.9
97.02890	1.5
98.96497	0.9
103.05459	4.3
103.89354	0.9
105.07018	1.6
107.04955	1.0
117.07035	1.7
119.04934	1.4
120.08090	2.5
123.04418	100.0
124.04752	2.1
127.03904	1.7
130.96538	0.9
131.04922	14.0
135.08043	2.3
137.05991	2.2
138.06317	1.1
138.81390	1.0
145.04988	1.2
145.06474	3.2
147.04437	1.4
162.88605	1.0
163.07526	31.7
164.07936	2.0
165.05426	1.3
173.06036	2.0
174.11163	1.5
177.56766	1.1
181.08527	6.1
191.07022	8.9
197.03865	0.9
197.11694	1.4
198.12068	2.1
208.09698	16.8
213.12413	2.2
233.86212	1.3
240.06512	1.1
255.06509	2.3
300.06296	1.0
315.08502	4.5
360.10452	2.2
360.14075	2.6
360.17493	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	360.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69017	1.3
55.01859	2.0
57.38298	1.3
69.03419	4.2
69.73949	3.0
69.74319	2.5
71.05006	1.7
79.05492	3.0
81.07090	1.5
83.01346	2.8
91.05475	3.1
93.07040	3.3
95.04953	2.2
97.00507	1.2
97.06511	1.4
98.23383	1.9
105.07026	3.6
107.04945	5.1
107.08561	3.6
109.10131	1.6
111.46716	1.5
115.81100	1.7
121.06476	1.5
121.10143	6.1
123.08024	1.7
131.04892	6.4
133.10107	3.5
135.04402	9.0
139.11118	1.9
149.05966	3.0
159.04416	3.6
162.03122	3.6
163.03877	14.2
175.03844	4.6
177.05466	6.8
178.05753	1.6
190.02536	9.7
191.03358	100.0
192.03694	2.6
205.04935	67.1
206.05258	13.2
217.04967	4.1
218.05235	2.4
219.06496	7.4
221.04445	3.1
231.06450	5.6
233.04437	3.3
233.08076	2.4
235.05879	3.2
238.07756	2.7
245.08064	2.7
247.70734	1.5
257.08026	4.0
259.09628	14.8
271.09549	4.1
272.09869	1.8
273.11111	4.1
287.09067	1.6
287.12643	3.8
311.12747	17.0
311.15982	2.4
313.14325	2.4
317.68286	1.7
329.13809	44.8
330.14273	3.5
342.14172	3.2
343.15308	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2125
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.05504	4.7
55.42416	0.7
56.05018	1.4
56.93625	0.6
69.03427	0.9
69.07063	3.4
69.91895	1.7
69.92239	0.7
70.06583	2.9
72.08146	62.7
73.08477	1.8
79.05489	1.2
82.02921	0.7
84.04493	35.2
84.08135	1.2
85.02884	2.2
86.09692	100.0
87.10025	2.1
89.03868	0.9
93.07029	0.7
96.04483	1.4
97.02881	0.7
102.05531	20.9
107.08556	0.8
113.07099	1.4
116.07065	1.6
118.08634	26.6
122.09588	0.7
129.06569	3.0
130.05005	1.0
132.10193	15.8
135.04411	0.9
135.08060	1.3
137.05981	1.2
138.09102	4.9
141.06577	2.9
145.02852	1.1
146.23631	0.6
148.69702	0.6
152.10666	2.2
153.09091	1.2
155.11789	1.1
156.10178	3.2
163.03900	5.7
170.11771	3.6
181.04945	2.4
183.11263	17.6
183.12845	1.1
185.16472	1.7
197.12856	13.8
201.12300	14.0
211.10774	2.6
215.13876	31.5
216.14178	1.5
217.13606	0.9
225.12296	5.1
229.11783	9.9
231.17044	3.3
243.13374	13.2
247.13071	0.9
342.19580	0.9
360.17349	4.5
361.14075	0.9
361.17938	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35914	2.2
52.58352	2.7
69.07028	3.0
69.51654	5.4
69.52063	8.2
70.06570	4.3
84.51443	3.2
87.27771	2.8
93.07002	2.9
121.06477	3.0
131.04962	3.9
142.46022	3.0
144.96178	2.5
149.64499	2.9
159.36884	3.2
162.03120	9.7
175.91986	2.8
190.02591	13.4
196.75278	2.5
205.04932	100.0
206.05408	8.1
219.06508	7.5
233.08096	7.8
247.09612	14.7
262.56033	3.2
359.36191	9.0
360.36389	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	46.7
67.05498	71.9
69.03415	13.4
69.07051	39.1
71.04980	69.9
73.12065	9.2
76.19998	9.3
79.05495	65.7
81.07048	51.3
83.08620	15.6
83.43538	9.3
91.05464	40.9
93.07031	100.0
95.08578	31.4
97.10165	24.4
105.07008	35.0
107.08576	47.5
109.10130	51.1
119.08481	10.2
121.10117	77.7
125.09608	23.2
128.67528	9.3
131.08562	13.5
133.10100	18.1
134.16936	9.5
139.75264	9.7
153.12695	37.7
155.10698	9.6
173.11720	97.1
189.11195	18.1
194.69850	12.1
196.03607	12.3
200.36411	9.5
253.78392	11.6
275.20035	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	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	37.7
65.03933	7.9
65.83626	8.7
67.05499	79.6
69.07040	26.4
70.04000	18.7
71.04980	75.9
79.05473	84.5
80.01778	8.2
81.07030	39.5
83.08592	18.4
91.05457	23.4
93.07022	64.9
95.04914	8.5
95.08591	39.6
97.10149	22.7
105.07033	20.4
107.08561	48.7
109.10135	53.4
119.08582	19.0
121.10130	59.6
123.11731	7.1
125.09614	24.8
133.10106	14.1
145.10066	14.9
153.12772	42.8
155.10616	21.5
173.11737	100.0
189.11201	23.5
275.20004	32.6
276.20306	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	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01866	10.1
55.05505	71.9
58.36227	3.8
59.45822	3.9
61.55494	3.8
67.05494	46.0
69.03417	9.8
69.07051	18.2
69.96908	12.1
71.08610	5.9
74.38628	4.5
79.05486	39.3
80.94868	5.9
81.03407	15.6
81.07042	40.8
83.04987	9.4
83.08607	47.9
91.05470	14.6
93.07024	27.0
95.04942	9.4
95.08595	13.9
97.10151	79.9
98.78706	4.7
99.08109	5.4
105.07025	15.4
106.97935	4.2
107.04848	4.0
107.08574	46.2
109.10130	6.9
111.08067	8.2
119.08564	8.1
121.10134	8.3
125.09608	98.2
126.09898	7.1
133.10150	6.0
135.08055	23.1
141.19531	4.2
147.11725	7.5
151.11128	7.0
153.09100	15.0
157.10211	5.1
171.10181	7.0
173.13246	5.0
180.98070	5.0
193.12334	5.2
203.12741	100.0
204.13104	4.3
205.04961	10.0
249.22176	4.9
259.20633	5.0
261.10703	4.2
277.21579	37.4
293.21133	4.5
309.24371	5.4
327.01041	4.7
361.23557	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	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01866	10.1
55.05505	71.9
58.36227	3.8
59.45822	3.9
61.55494	3.8
67.05494	46.0
69.03417	9.8
69.07051	18.2
69.96908	12.1
71.08610	5.9
74.38628	4.5
79.05486	39.3
80.94868	5.9
81.03407	15.6
81.07042	40.8
83.04987	9.4
83.08607	47.9
91.05470	14.6
93.07024	27.0
95.04942	9.4
95.08595	13.9
97.10151	79.9
98.78706	4.7
99.08109	5.4
105.07025	15.4
106.97935	4.2
107.04848	4.0
107.08574	46.2
109.10130	6.9
111.08067	8.2
119.08564	8.1
121.10134	8.3
125.09608	98.2
126.09898	7.1
133.10150	6.0
135.08055	23.1
141.19531	4.2
147.11725	7.5
151.11128	7.0
153.09100	15.0
157.10211	5.1
171.10181	7.0
173.13246	5.0
180.98070	5.0
193.12334	5.2
203.12741	100.0
204.13104	4.3
205.04961	10.0
249.22176	4.9
259.20633	5.0
261.10703	4.2
277.21579	37.4
293.21133	4.5
309.24371	5.4
327.01041	4.7
361.23557	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	361.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55475	4.1
56.43037	4.7
56.96558	5.2
69.03425	5.3
70.54899	5.3
70.55241	4.6
77.68358	4.7
84.08144	19.1
85.02898	10.5
111.21429	4.9
129.10243	20.8
138.92148	4.9
145.02831	5.3
146.03218	6.5
163.03911	33.5
164.04208	49.4
181.04974	11.6
182.05331	22.5
193.65059	4.7
199.03810	6.2
199.05743	12.4
199.09427	9.8
219.05338	4.5
236.00398	4.6
345.59460	5.5
361.08981	100.0
361.14590	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	361.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16849	1.0
56.96555	4.5
61.96186	1.0
63.76470	1.3
69.03439	1.2
70.00383	3.7
70.06588	1.4
71.04979	5.1
71.79887	1.0
72.08138	5.7
74.06048	1.2
78.94349	1.2
81.03401	2.7
82.99852	1.0
84.04504	2.2
84.08128	4.2
84.91175	1.3
85.02892	1.9
86.09708	3.0
86.99346	2.3
94.85582	1.3
95.04952	5.8
97.02875	1.1
98.22798	1.4
98.97564	13.1
99.04444	20.8
100.66908	1.3
101.00864	11.5
103.00594	1.6
105.00359	1.5
110.97581	4.2
116.98619	4.9
119.01908	21.4
120.02042	1.4
121.01672	3.0
128.98637	6.6
129.03992	2.4
129.10237	4.3
131.01881	2.9
131.05521	4.1
133.01636	2.9
136.06172	2.2
137.02942	2.5
143.01881	36.6
144.01985	1.3
145.01625	2.5
145.03488	3.2
146.05988	1.7
146.99651	2.3
147.03226	5.4
147.07542	1.6
149.06609	2.4
153.03958	5.1
156.96588	4.1
157.01581	3.0
157.03447	3.8
159.03172	2.6
161.02942	56.4
162.03055	3.5
163.02690	2.3
163.03918	2.4
164.04266	1.6
165.06953	2.3
167.08430	1.7
169.01717	1.3
169.03473	2.0
169.06430	1.3
171.03445	1.6
171.05009	33.0
172.94424	1.5
173.01181	1.2
173.03029	1.9
173.06549	1.8
174.97672	7.6
175.02708	6.0
175.04343	2.8
177.02344	1.2
180.96571	1.8
181.03421	10.9
185.06548	3.5
187.02736	5.4
189.06084	5.4
189.12296	1.8
192.98692	5.1
193.05705	1.6
195.05031	3.5
198.97668	15.6
199.02742	3.9
199.04485	52.9
200.04652	3.9
205.03758	3.7
210.97647	4.2
211.04495	2.7
213.04305	1.2
213.06036	8.5
216.98677	79.0
217.05557	15.8
217.98860	5.3
223.02739	1.8
223.04773	5.4
228.98679	13.0
229.05598	8.3
231.00266	4.0
231.07056	2.3
232.96667	1.3
234.99716	30.9
235.99849	3.4
239.07033	2.1
240.98689	16.9
241.05542	100.0
242.05702	7.7
243.00023	1.6
246.99731	3.6
249.02448	3.9
249.05443	1.4
252.98584	8.5
258.99716	43.2
259.06607	39.0
259.99921	2.9
260.06528	1.1
267.03424	7.2
270.99725	45.3
271.04761	5.1
271.99899	5.2
276.98108	1.6
277.00671	8.9
278.01227	1.3
282.99658	1.7
283.06567	1.9
289.00824	15.8
289.05786	11.8
301.00839	8.0
301.07889	8.8
318.07468	1.3
318.98465	2.4
319.01865	8.0
319.06900	27.2
320.07520	1.8
323.09808	1.6
360.99579	1.8
362.12314	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	361.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16849	1.0
56.96555	4.5
61.96186	1.0
63.76470	1.3
69.03439	1.2
70.00383	3.7
70.06588	1.4
71.04979	5.1
71.79887	1.0
72.08138	5.7
74.06048	1.2
78.94349	1.2
81.03401	2.7
82.99852	1.0
84.04504	2.2
84.08128	4.2
84.91175	1.3
85.02892	1.9
86.09708	3.0
86.99346	2.3
94.85582	1.3
95.04952	5.8
97.02875	1.1
98.22798	1.4
98.97564	13.1
99.04444	20.8
100.66908	1.3
101.00864	11.5
103.00594	1.6
105.00359	1.5
110.97581	4.2
116.98619	4.9
119.01908	21.4
120.02042	1.4
121.01672	3.0
128.98637	6.6
129.03992	2.4
129.10237	4.3
131.01881	2.9
131.05521	4.1
133.01636	2.9
136.06172	2.2
137.02942	2.5
143.01881	36.6
144.01985	1.3
145.01625	2.5
145.03488	3.2
146.05988	1.7
146.99651	2.3
147.03226	5.4
147.07542	1.6
149.06609	2.4
153.03958	5.1
156.96588	4.1
157.01581	3.0
157.03447	3.8
159.03172	2.6
161.02942	56.4
162.03055	3.5
163.02690	2.3
163.03918	2.4
164.04266	1.6
165.06953	2.3
167.08430	1.7
169.01717	1.3
169.03473	2.0
169.06430	1.3
171.03445	1.6
171.05009	33.0
172.94424	1.5
173.01181	1.2
173.03029	1.9
173.06549	1.8
174.97672	7.6
175.02708	6.0
175.04343	2.8
177.02344	1.2
180.96571	1.8
181.03421	10.9
185.06548	3.5
187.02736	5.4
189.06084	5.4
189.12296	1.8
192.98692	5.1
193.05705	1.6
195.05031	3.5
198.97668	15.6
199.02742	3.9
199.04485	52.9
200.04652	3.9
205.03758	3.7
210.97647	4.2
211.04495	2.7
213.04305	1.2
213.06036	8.5
216.98677	79.0
217.05557	15.8
217.98860	5.3
223.02739	1.8
223.04773	5.4
228.98679	13.0
229.05598	8.3
231.00266	4.0
231.07056	2.3
232.96667	1.3
234.99716	30.9
235.99849	3.4
239.07033	2.1
240.98689	16.9
241.05542	100.0
242.05702	7.7
243.00023	1.6
246.99731	3.6
249.02448	3.9
249.05443	1.4
252.98584	8.5
258.99716	43.2
259.06607	39.0
259.99921	2.9
260.06528	1.1
267.03424	7.2
270.99725	45.3
271.04761	5.1
271.99899	5.2
276.98108	1.6
277.00671	8.9
278.01227	1.3
282.99658	1.7
283.06567	1.9
289.00824	15.8
289.05786	11.8
301.00839	8.0
301.07889	8.8
318.07468	1.3
318.98465	2.4
319.01865	8.0
319.06900	27.2
320.07520	1.8
323.09808	1.6
360.99579	1.8
362.12314	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	361.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65655	0.5
53.08044	0.4
56.17851	0.5
59.93390	0.5
69.03416	0.6
69.49361	1.1
77.37843	0.4
85.02897	0.8
97.02901	0.8
123.04406	1.5
131.13478	0.4
133.34819	0.4
135.68988	0.4
163.03864	2.3
164.04218	2.5
165.05431	0.8
170.90813	0.4
181.04964	0.8
182.05309	1.0
183.06462	0.5
185.04192	1.6
198.82378	0.5
199.05743	100.0
200.06013	2.5
200.29086	0.4
361.10910	24.6
361.14746	7.8
362.11179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00794	0.5
53.59240	0.5
54.62498	0.5
56.96581	0.6
60.49108	0.5
69.03416	0.6
69.73991	1.4
69.74339	0.6
70.06594	1.0
72.08148	1.1
84.08154	1.5
85.02917	1.1
91.05476	0.5
95.04969	1.0
97.02911	0.7
99.31444	0.5
103.05481	1.6
105.03377	0.5
121.06432	0.5
123.04433	1.1
129.07021	0.6
129.10208	0.6
133.02853	2.7
137.05966	2.4
137.06909	0.5
151.03828	0.6
163.03880	1.2
164.04256	2.3
165.05443	1.3
179.08540	0.5
179.90544	0.5
181.04939	2.1
182.05269	1.1
183.06560	0.7
185.04245	2.3
185.05734	0.5
199.05753	100.0
200.06035	2.2
216.12386	0.5
219.68492	0.6
223.40089	0.5
361.10867	18.4
362.11588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1103
Annotation	PD 169316
Peak:m/z	Relative Intensity
51.60104	0.4
55.01851	0.6
56.96562	1.7
61.02938	0.4
69.03426	0.6
69.04236	0.4
70.20139	0.6
70.20467	0.7
72.08137	0.7
74.06068	0.4
80.90160	0.4
84.04501	0.8
84.08126	1.1
85.02895	1.1
86.09695	1.3
90.47128	0.4
95.04954	0.6
97.02882	1.3
98.97556	2.5
99.04464	0.8
101.00864	0.8
107.04996	0.6
110.97568	1.3
116.98611	1.2
119.01903	1.2
119.04983	0.4
119.69444	0.4
120.06554	0.6
123.04428	0.5
128.98619	1.4
129.10208	1.1
131.01903	0.9
131.96567	0.4
136.06194	1.3
136.94690	0.4
143.01863	1.1
145.03470	1.0
146.05989	3.4
146.99561	0.8
147.04369	0.9
151.04001	0.4
153.07043	0.8
156.96634	0.7
157.03473	0.6
157.06596	0.7
161.02939	1.4
163.03923	0.7
164.04221	0.9
165.06934	1.2
167.08565	1.1
169.06372	0.9
171.05045	0.8
173.01355	0.7
173.02794	0.5
174.97675	1.6
175.04509	0.7
178.07841	0.6
181.06541	1.1
183.08076	1.5
187.04581	0.7
191.02225	1.0
192.98697	1.0
193.06442	0.7
195.08049	1.2
197.05942	0.8
198.97661	3.4
199.04518	1.5
199.07574	0.6
207.08064	0.5
208.08925	0.5
210.97614	1.0
211.07600	1.8
216.98692	16.1
217.98871	0.8
221.05556	0.5
223.07031	0.7
225.05565	0.5
228.98712	1.8
229.57622	0.5
232.96519	0.7
234.99753	6.1
235.99965	0.8
238.08424	0.6
239.06989	3.0
240.98618	2.7
241.05585	2.6
241.07942	0.6
243.00211	0.5
246.99913	0.7
247.06609	1.1
249.02495	1.1
252.98698	1.8
253.08606	0.9
258.99719	9.0
259.06747	0.8
260.00027	0.7
263.07025	0.5
265.07642	2.3
267.03580	0.9
267.06476	0.8
270.99750	10.7
272.00027	1.1
277.00845	1.2
281.08060	0.7
289.00845	3.2
299.09122	0.6
301.00879	1.3
301.07730	0.6
309.07541	0.5
309.23645	0.5
319.01859	1.5
319.07153	1.4
337.02896	0.9
361.11041	100.0
362.12003	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	361.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81684	1.2
69.03413	1.4
69.33858	3.8
69.34265	3.3
70.49233	1.1
72.08132	1.5
84.08098	1.4
85.02888	3.0
86.09711	1.5
95.09888	1.5
108.62712	1.6
123.04409	3.1
127.22001	1.5
136.89365	1.3
137.05946	2.4
163.03874	4.1
164.04201	5.6
165.05492	1.5
181.04900	2.3
182.05386	1.5
183.06544	1.2
185.04201	3.6
192.07399	2.3
199.05748	100.0
199.09439	11.9
200.06093	1.3
203.05286	1.4
208.09589	1.6
209.10118	2.3
253.37770	1.7
361.11664	23.7
361.14493	39.5
361.21832	4.1
362.15405	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21888	1.3
66.26333	1.2
69.32772	6.0
70.06564	1.6
81.20176	1.3
85.02897	3.7
94.23212	1.2
109.85292	1.2
116.11694	1.2
123.04413	2.9
131.17416	1.3
137.05963	2.2
139.03741	1.3
163.03905	3.9
164.04216	4.1
166.31784	1.5
181.04922	2.5
185.04231	4.1
191.07048	1.7
199.05743	100.0
199.09377	10.1
235.81598	1.2
343.13559	1.8
361.11685	24.7
361.14560	39.3
361.21786	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	361.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
55.01849	0.7
65.03934	9.4
67.05486	4.5
68.99789	0.7
69.03401	1.5
69.30015	0.6
71.39441	0.6
72.34222	0.7
79.05476	2.6
81.07054	0.9
82.04201	3.7
83.04977	3.0
85.02892	4.7
91.05466	5.4
93.03391	2.2
93.07030	3.4
95.04957	3.9
95.08598	0.9
97.06536	3.4
98.10256	0.7
98.22773	2.7
98.23453	1.2
102.85701	0.5
103.05453	1.2
105.07009	2.8
107.04935	2.1
107.08567	2.0
108.02102	1.7
109.06502	1.6
109.10117	0.7
110.03662	4.4
111.04404	2.0
119.04939	3.8
119.08553	1.1
119.50928	0.6
121.06496	14.3
121.10086	0.8
122.03600	0.9
125.05956	3.4
131.04904	2.2
133.02823	1.7
133.06468	2.5
133.10112	0.9
134.03569	1.1
135.11693	3.1
137.05942	6.1
138.03123	3.2
139.03880	0.9
142.02573	1.1
147.04372	3.1
149.05943	2.3
151.07515	3.1
153.05441	7.1
153.06755	1.0
159.04393	1.4
161.05954	1.8
162.03102	5.2
163.03954	0.9
163.07506	0.6
164.04678	1.1
165.05446	1.8
165.06789	0.6
167.07014	6.7
169.06509	1.0
170.07225	1.3
171.06494	8.0
177.05429	1.2
179.07030	6.2
181.04929	100.0
182.05286	3.5
182.07188	1.0
183.08153	0.7
189.05470	0.9
190.02565	9.3
191.06953	0.8
192.04129	1.2
193.04935	1.8
193.08568	2.9
195.07951	0.9
197.05911	1.1
198.06793	2.7
199.07518	0.9
205.04933	52.2
206.05165	1.6
207.06517	9.9
209.05887	1.0
211.07529	0.8
213.09079	2.9
217.08521	0.8
219.06485	5.0
221.04420	3.2
223.07535	1.0
226.06184	2.2
227.06905	1.9
229.08649	0.9
233.08060	1.5
237.05496	0.9
241.08551	4.4
243.06483	1.9
245.08054	2.0
247.05775	1.1
254.05743	0.9
255.06635	1.0
257.08020	0.8
258.08759	0.9
259.09589	2.3
269.08011	3.8
270.08710	1.0
271.05945	2.1
271.09573	0.6
273.11163	11.7
275.09207	0.8
283.06027	1.0
283.09393	0.7
283.13251	0.7
286.08316	2.4
301.10651	11.0
302.11115	1.7
325.14255	2.9
329.10098	5.6
330.10873	0.7
333.09613	1.2
333.13284	16.7
334.13589	1.4
343.15430	7.1
344.15475	0.7
361.16284	1.9
361.20444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	Chaetoquadrin A
Peak:m/z	Relative Intensity
53.93853	1.0
70.56129	2.5
71.04972	4.4
81.07058	1.7
91.05459	1.6
99.08087	3.5
121.06509	3.2
124.61568	1.2
127.11181	4.1
128.06221	2.2
129.07022	1.7
131.04916	2.6
139.11169	3.8
141.07007	1.8
143.08577	1.3
149.06039	2.0
157.06485	2.5
158.07220	2.1
158.17905	1.3
159.04419	4.6
161.06006	3.6
162.03165	4.8
169.06454	2.0
170.07243	1.3
173.09674	2.9
177.05522	2.4
179.07089	1.3
185.05974	2.2
186.06836	1.7
187.03897	3.1
187.07547	2.1
189.05415	7.1
190.02621	12.7
192.04025	1.3
193.04936	5.1
197.06004	2.8
198.06726	2.1
199.03868	1.9
201.09123	5.0
205.04938	97.9
206.05330	3.3
207.06554	3.6
213.05415	5.5
214.06226	5.7
217.04956	7.0
217.08508	1.8
219.06422	6.5
221.04378	2.3
225.05428	6.7
229.05060	2.4
229.08571	36.7
230.05702	2.1
230.09001	2.0
231.06523	2.9
233.08139	3.5
242.05713	1.6
243.06480	6.9
245.08063	46.8
245.10526	2.6
246.08417	1.4
247.09686	3.8
257.08072	45.9
258.08386	3.0
263.09140	14.8
269.08075	6.0
271.09644	1.6
273.11188	18.7
275.09091	14.0
276.09424	1.7
279.48624	1.2
283.09583	2.4
325.14313	5.0
343.15372	100.0
344.15732	6.9
361.16293	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	Chaetoquadrin A
Peak:m/z	Relative Intensity
51.35791	1.1
65.03952	1.4
67.05498	1.7
69.07059	3.2
70.93006	1.1
71.04975	3.1
71.19149	1.4
77.09858	1.2
89.40202	1.1
99.08086	4.6
105.03394	2.0
109.10136	6.0
121.06490	2.7
127.11170	3.9
128.06226	1.7
131.04918	3.4
131.96851	1.3
133.02841	14.8
137.05984	2.2
139.11156	2.4
141.07001	2.6
143.08548	1.4
147.04315	1.4
150.03094	3.6
157.06563	1.4
158.07262	1.5
159.04401	5.2
161.05971	3.9
162.03098	5.6
165.05414	3.6
173.05983	1.2
173.09596	1.9
175.03868	1.9
177.05458	2.0
178.02586	1.7
181.06564	1.5
185.06161	1.1
186.06822	1.3
187.03931	3.1
189.05443	7.0
190.02591	12.6
193.04953	8.4
197.06013	3.3
198.06721	2.9
199.03879	2.8
201.09070	5.2
205.04941	92.4
206.05283	2.9
207.06520	3.2
213.05415	6.8
214.06226	6.0
215.06941	2.1
217.04919	11.4
217.08524	2.6
219.02921	3.1
219.06517	6.3
221.04413	12.6
225.05447	4.2
229.05019	1.7
229.08559	34.0
230.05803	2.3
231.06406	2.5
233.08058	3.8
241.08374	1.4
242.05569	1.5
243.06534	8.4
244.07152	1.8
245.08061	43.8
246.08525	2.5
247.09656	4.3
257.08051	44.7
257.10736	2.7
258.08578	1.9
263.09119	15.5
269.08093	5.3
273.11191	17.2
275.09143	12.4
283.09647	2.7
285.11063	1.5
301.10794	1.4
301.14142	1.5
313.71027	1.2
325.14270	4.5
343.15363	100.0
344.15671	7.8
361.16428	20.2
362.16394	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1641
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
55.55875	1.1
58.92301	1.1
58.94329	1.1
69.89243	3.9
84.16352	1.2
93.07037	1.5
97.96254	1.1
105.07125	1.1
115.78581	1.2
120.26393	1.2
121.06480	4.0
131.04939	2.3
149.06004	2.6
159.04372	1.6
162.03096	5.4
177.05493	3.1
190.02568	13.3
205.04942	100.0
206.05255	4.1
219.06500	9.5
233.08107	1.5
245.07953	2.9
273.11267	2.7
285.11209	7.3
303.12167	6.8
310.54431	1.4
313.14319	3.4
325.14243	5.7
343.15466	7.0
346.44421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	Saccharothrixin A
Peak:m/z	Relative Intensity
59.04934	2.1
63.00764	2.3
69.78709	7.6
91.05475	2.9
93.07000	2.5
95.08587	2.7
98.22748	4.6
107.08575	3.3
109.06509	5.3
109.10204	2.8
119.04891	2.5
121.06473	6.9
131.04900	5.5
137.05956	4.4
138.58127	2.6
149.05890	3.3
162.03073	6.0
165.05460	26.8
186.79179	2.4
189.05367	3.2
190.02597	19.3
193.05025	4.0
199.03906	2.8
205.04932	100.0
206.05066	4.5
217.05042	3.1
219.06429	11.8
221.04395	55.3
229.08730	3.0
233.07980	2.8
245.08049	7.2
249.01001	2.7
257.08041	6.6
263.09103	3.3
271.09689	8.4
273.11096	13.7
275.08762	2.4
285.11276	7.4
313.14166	2.9
325.14398	15.4
331.15302	3.3
332.45404	2.5
343.15286	24.4
361.16245	6.9
377.76700	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	361.1641
Annotation	Chaetoquadrin B
Peak:m/z	Relative Intensity
52.80290	0.9
55.05505	1.2
62.21514	0.8
70.55617	1.3
78.85927	0.9
79.68322	0.8
81.07056	1.2
83.01357	1.1
83.04966	4.4
91.05468	1.4
100.11230	1.1
101.91418	0.9
105.07038	0.8
107.08621	1.7
120.78881	1.0
121.06486	4.8
121.10145	1.2
131.04951	3.6
133.10129	1.9
134.03612	1.3
139.11180	1.2
149.05991	2.0
151.14107	1.1
159.04385	2.1
162.03079	7.9
177.05534	1.7
178.76265	0.9
190.02599	16.5
193.04956	2.7
205.04939	100.0
206.05309	4.4
217.04947	1.5
219.06505	9.3
245.08202	2.0
247.05940	1.8
259.09610	1.7
261.11243	2.0
269.51016	1.0
273.11365	3.2
289.10666	1.3
325.14328	6.0
343.15317	12.9
344.15744	1.2
355.08823	0.9
361.16309	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	361.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
59.23789	0.7
62.78413	0.9
65.03938	5.0
67.05489	2.7
68.99779	1.0
69.03403	1.4
69.07061	1.5
70.27055	1.2
70.27364	1.1
77.00652	0.7
79.05489	2.4
81.07026	1.0
82.04185	2.0
83.04964	5.5
85.02898	3.7
91.05481	3.9
93.03386	1.7
93.07027	2.4
95.04961	2.3
97.06510	1.9
98.23119	2.1
103.05452	1.6
105.07035	1.8
107.08604	2.3
108.02061	1.1
109.06477	0.8
110.03668	2.9
111.04430	1.4
119.04948	2.0
121.06494	10.5
121.10082	1.1
125.05990	1.5
131.04932	4.9
131.05762	0.7
133.02826	1.6
133.06453	1.3
133.10118	2.1
134.03616	1.5
135.11684	2.2
137.05952	2.7
138.03087	1.5
139.11198	0.8
145.06464	0.9
149.02342	1.0
149.05975	2.3
151.07536	1.8
152.06163	1.1
153.05473	5.6
159.04375	1.5
161.06021	0.8
162.03110	8.4
163.07516	0.7
165.05487	1.2
167.07045	3.4
169.06444	0.8
171.06517	3.3
173.05934	0.9
177.05446	2.1
179.06995	3.0
181.04933	54.0
181.08525	3.0
182.05252	1.7
185.06015	1.0
189.05420	1.1
190.02570	17.6
191.02968	0.7
191.06912	0.9
193.04967	3.2
193.08647	1.6
198.06793	1.6
205.04935	100.0
206.05293	4.0
207.06535	4.4
212.08362	0.9
213.08960	1.3
215.06999	1.0
219.06511	9.6
221.04411	2.5
223.07402	0.8
226.06206	1.3
227.06902	1.0
233.08115	1.9
241.08536	3.4
243.06523	0.9
245.08138	3.3
247.06068	1.8
255.06416	1.1
259.09586	2.2
261.11209	3.5
269.08112	2.6
273.11194	11.2
286.08331	1.7
289.10559	1.6
301.10748	6.5
301.14023	1.7
325.14297	6.1
329.10037	3.6
333.13364	9.1
343.15356	12.5
344.15677	1.2
361.16360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96100	6.3
53.60191	8.0
55.01872	14.6
57.02165	5.8
58.06617	6.3
59.42122	5.1
60.04522	9.7
69.03423	5.8
70.06583	17.8
71.04972	7.0
72.08149	16.3
79.05478	48.0
86.09689	9.2
91.05459	30.0
94.04166	5.6
95.04967	25.8
97.02888	16.1
103.05471	15.5
105.07024	13.6
107.04971	31.5
107.08582	8.3
112.08625	5.5
115.05497	6.6
116.07061	11.2
117.07016	6.6
119.04958	16.4
120.08080	10.8
121.06506	12.8
123.04434	51.7
129.06993	24.9
131.04904	16.9
131.08594	9.9
133.02849	65.2
133.06482	10.1
135.04395	9.6
135.08084	11.3
137.05968	86.3
140.63084	5.7
141.06975	10.1
145.06502	9.9
147.04434	23.4
149.02371	9.9
149.05934	11.8
151.03885	34.0
151.07507	58.0
152.06262	5.8
157.06451	18.8
159.89233	6.2
161.05978	100.0
161.09601	22.2
163.07578	20.8
165.05591	9.0
165.07016	17.6
166.07672	9.3
167.00198	6.5
167.07072	28.9
167.08482	11.7
170.66472	5.5
172.23732	5.7
174.06810	10.6
175.07526	14.3
176.04710	10.2
177.05525	10.6
177.09117	8.7
179.08571	8.4
181.06505	21.8
181.08690	32.4
183.04478	17.3
183.08009	8.7
189.09082	77.4
193.06474	6.8
195.08034	19.2
197.11705	11.3
201.05475	9.0
207.08134	14.5
207.10204	42.8
210.06917	6.5
211.07616	13.9
217.06387	11.8
219.10178	7.5
223.07596	7.9
225.09152	15.7
227.07045	9.0
227.10672	10.8
235.07475	32.4
237.09148	10.0
239.07108	8.8
239.11183	6.1
247.54216	7.6
249.09109	7.3
253.08614	24.4
255.10146	19.0
256.06827	14.7
259.31146	6.1
263.07080	12.0
281.08084	25.1
285.11224	16.7
287.12683	36.0
297.11603	6.5
309.07724	11.7
313.14316	16.3
316.08997	30.6
327.08572	61.6
331.15366	16.2
345.09592	40.9
361.14099	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
65.03925	3.5
67.05500	3.0
69.19738	2.0
69.20048	12.5
78.04673	1.9
79.05486	16.6
81.07055	2.8
85.63866	2.1
91.05464	22.6
93.07027	12.3
95.04947	13.6
103.05459	11.2
105.04512	4.5
105.07008	12.7
106.04144	1.9
107.04939	35.2
109.06476	2.5
110.03661	2.2
111.04394	1.9
115.05430	4.9
117.07004	6.2
119.04914	8.1
119.08557	4.2
120.05706	2.9
121.06493	23.2
121.96870	2.0
122.03619	2.3
123.04427	9.4
124.05184	3.8
125.06006	4.7
128.06213	8.8
129.06993	32.6
131.04909	9.8
131.05803	2.0
131.08568	12.2
132.51569	1.9
133.02823	2.8
133.06473	6.2
134.03575	2.0
135.04378	3.6
135.08029	6.8
137.05956	19.0
141.06966	2.5
144.05739	2.2
145.06477	6.6
146.07195	4.3
147.04384	3.3
147.08009	3.0
148.05142	5.2
149.05963	7.9
150.06694	2.9
151.03906	6.7
151.07516	23.5
152.04674	6.6
152.06241	2.8
153.05457	16.9
153.06874	3.4
157.06480	22.2
159.08032	3.0
161.05966	40.8
161.09624	10.4
162.06665	1.9
163.07527	20.5
165.06943	11.2
165.09052	11.1
166.06227	13.9
166.07544	2.5
167.07040	67.7
167.08492	7.1
168.07359	2.5
171.08023	3.0
174.06728	14.1
175.07549	9.7
177.06952	2.0
177.09123	10.8
179.07085	4.0
179.08578	6.2
181.04984	4.0
181.06621	3.8
181.08571	100.0
182.07283	7.3
182.08823	4.3
189.09074	74.1
191.08624	2.8
191.10545	2.0
193.06503	3.2
194.07266	4.1
195.08018	13.1
196.08862	2.6
197.05882	3.2
197.09581	11.4
199.07584	3.4
207.08057	5.4
207.10147	14.0
208.08841	5.7
209.06004	3.1
209.09566	2.3
210.06691	8.5
211.07446	6.6
212.08260	2.3
213.09232	2.4
219.08029	7.4
221.05910	5.1
221.09389	3.1
222.06776	5.2
223.07512	6.5
223.11108	3.5
225.05502	3.5
225.09056	19.8
227.07062	5.1
228.96666	2.0
229.12222	4.0
235.07471	5.0
236.04602	2.5
236.08296	2.8
237.09032	7.1
238.06314	2.6
239.07059	3.2
239.10591	3.6
240.07767	4.1
241.08560	4.2
242.09352	4.4
247.07512	3.8
249.05354	2.3
251.06892	3.6
251.10571	6.5
253.08565	13.1
254.09360	2.2
255.06447	4.3
255.10155	6.5
257.11694	18.4
263.06976	2.6
264.07968	2.1
265.08597	4.2
267.10110	4.4
268.07260	4.7
270.08731	5.2
271.13379	2.1
279.10104	4.1
283.09647	16.5
283.13324	10.2
285.11160	35.1
286.11884	3.0
297.11179	4.6
299.09241	3.5
299.12726	6.2
302.11435	5.6
311.12799	4.5
315.12198	13.8
317.13831	20.5
329.13647	3.5
343.15387	6.9
361.16412	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	361.1642
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
55.01876	2.7
65.03904	2.6
67.05482	1.9
70.69208	2.0
77.03921	2.4
79.05490	13.9
91.05473	23.1
93.07040	12.2
95.04953	8.4
103.05465	13.7
105.04507	3.2
105.07017	10.6
107.04948	32.9
109.06509	2.7
115.05444	5.0
116.06233	2.4
117.07012	5.5
119.04934	7.6
119.08550	2.6
119.44527	1.7
120.05706	3.0
121.06487	21.2
123.04430	7.8
124.05152	4.3
128.06227	7.7
129.06993	25.5
130.30449	1.8
131.04900	11.3
131.05757	1.7
131.08571	12.3
133.02840	3.5
133.06502	4.2
135.04385	3.0
135.08040	7.7
136.05202	3.2
137.05966	21.5
138.06798	2.6
141.07040	2.4
143.04953	2.5
144.05646	2.8
145.06488	7.7
146.07231	2.6
147.04398	3.1
147.08070	2.0
148.05193	4.5
149.05943	6.5
151.03860	3.8
151.07552	19.3
152.04701	3.4
153.05478	17.6
153.06750	2.8
154.07744	1.8
155.06046	3.1
157.06470	19.1
161.05948	27.8
161.09625	7.6
163.07489	18.0
165.07001	9.2
165.09082	11.6
166.06258	11.4
166.07524	3.0
167.07031	66.0
167.08467	6.7
169.06442	2.4
171.08008	2.2
174.06758	11.4
175.07515	9.3
177.05569	2.8
177.06964	3.1
177.09106	9.2
178.07721	3.6
179.07027	6.3
179.08519	7.0
181.05116	2.9
181.08582	100.0
182.07240	7.0
182.08852	4.1
183.08107	2.0
189.09093	68.3
189.10849	3.7
190.09470	2.7
191.08556	3.2
193.06462	4.3
193.08401	1.7
194.07248	6.6
195.08043	11.1
197.06004	1.8
197.09608	10.9
199.07555	2.8
205.06564	1.9
207.08022	7.1
207.10179	11.4
208.08844	4.2
209.06029	2.5
210.06799	7.2
211.07484	4.6
212.08359	2.9
219.08109	5.6
221.06041	5.1
222.06810	3.0
223.07510	6.8
223.11176	3.7
224.08272	2.3
225.05576	1.9
225.09088	16.7
226.09570	2.3
227.07019	5.2
229.12296	2.3
235.07587	3.8
236.08310	5.4
239.06905	3.9
239.10730	4.8
240.07780	5.3
241.08571	2.8
242.09311	2.4
247.07472	2.7
251.07019	3.0
251.10654	5.5
253.08653	14.8
254.09312	2.7
255.06361	2.4
255.10120	7.6
257.08115	2.3
257.09061	2.1
257.11725	15.9
267.06552	3.3
267.10098	3.7
268.07214	3.0
269.08011	3.8
270.08914	2.9
271.09570	1.9
271.13312	2.3
279.10138	4.1
283.09625	11.2
283.13275	12.3
285.08066	2.7
285.11163	31.0
286.11826	2.8
296.10352	2.4
297.11215	3.6
300.09833	2.6
302.11609	4.7
311.12823	6.7
315.12274	13.1
317.13837	19.0
329.13895	4.1
331.15396	2.0
343.15381	10.3
361.16302	6.6
384.36670	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	4-O-Methylcedrusin
Peak:m/z	Relative Intensity
53.03955	2.5
53.58085	1.3
55.01870	1.8
55.05489	2.0
61.14928	1.4
65.03929	1.2
67.05481	4.1
69.03438	2.8
70.15055	3.3
79.05471	7.8
81.07028	6.3
83.01347	2.9
85.02914	1.7
90.18774	1.3
91.05475	13.7
93.07030	9.2
95.04957	5.5
95.08614	2.0
97.02871	2.0
97.06565	1.4
103.05476	3.6
105.07001	9.5
107.04943	7.5
107.08585	7.4
109.02827	1.7
109.06486	2.6
109.10162	4.4
111.04418	2.0
113.58233	1.3
115.05447	1.9
117.06992	3.2
119.04925	3.0
119.08583	3.0
120.31131	1.3
121.06484	12.8
121.10140	3.6
123.04417	3.7
123.08031	1.8
123.11649	1.5
124.05183	1.8
125.05971	2.6
125.09659	1.6
127.11230	1.5
128.06204	3.2
129.01834	1.8
129.06996	6.4
131.04893	6.2
131.08554	3.4
133.02911	2.3
133.06488	3.2
133.10118	3.0
135.04398	4.0
135.08054	3.2
135.11662	7.7
136.05180	1.4
137.05962	11.7
139.11177	2.3
142.26430	1.4
145.06419	2.7
147.04395	3.2
147.08032	1.6
147.11612	1.9
148.05159	2.0
149.05952	5.1
151.03880	2.8
151.07530	6.3
153.05383	2.0
155.05988	1.5
157.06450	4.6
159.08003	1.4
161.05974	10.6
161.09612	3.1
162.03047	7.0
163.03880	3.0
163.07538	5.3
164.04697	1.3
165.05415	6.0
165.06897	3.0
165.09065	1.8
166.06192	3.8
167.07028	21.1
167.08362	2.8
173.09778	1.9
174.06749	2.9
175.07504	3.1
177.05507	5.3
177.09151	1.6
179.03368	4.5
179.07001	4.9
179.08502	1.6
181.04979	3.2
181.06831	2.6
181.08548	25.1
182.07242	2.3
182.08817	1.7
185.09543	1.9
189.05403	3.8
189.09099	15.0
190.02580	20.9
191.03267	3.8
191.07047	2.0
193.04950	4.6
195.06502	7.6
195.08049	3.7
197.05917	2.4
197.09610	2.1
199.04065	1.9
199.07538	2.5
203.03268	1.7
205.04930	100.0
206.05313	4.7
207.02946	6.6
207.06488	2.2
207.10162	1.7
212.08235	1.5
213.05418	2.7
213.09116	2.2
214.06319	1.7
217.04916	3.2
219.06512	6.4
221.04382	6.4
223.07719	2.6
224.08148	1.7
225.09111	5.3
227.07112	2.1
229.04921	1.7
229.08585	3.8
231.06444	2.0
233.08063	2.9
236.08315	1.8
239.07056	1.7
240.07788	2.0
241.06783	2.7
245.08086	8.2
247.09576	3.2
251.07088	2.6
251.10707	2.3
253.08565	2.8
255.06552	2.1
255.10042	2.2
257.08093	5.5
257.11761	4.2
259.09772	1.8
267.06311	1.9
271.09634	3.3
273.11142	5.5
275.09000	2.0
279.10117	1.8
283.09586	6.0
283.13260	5.3
285.11111	6.7
297.11206	2.0
299.09015	1.8
299.12595	1.5
301.14261	1.7
302.11444	2.0
311.12842	2.4
313.14151	2.0
315.12234	3.6
315.15860	1.8
317.13828	7.7
325.14374	7.6
331.15036	1.6
343.11639	1.9
343.15329	25.4
360.73392	2.2
361.12491	2.3
361.16031	8.6
361.23111	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	361.1643
Annotation	Chaetoquadrin A
Peak:m/z	Relative Intensity
51.45567	0.7
52.62248	0.7
53.03925	0.9
55.05490	1.8
65.03941	1.6
67.05508	1.2
69.03413	1.7
71.05010	0.7
79.05489	1.7
81.07062	1.7
83.01351	1.6
83.04970	3.3
83.74053	0.7
85.06533	0.9
91.05471	2.9
93.07018	4.3
95.04972	1.9
95.08578	1.4
97.68530	0.7
98.23500	1.6
103.05466	1.7
105.07016	2.1
107.04915	1.1
107.08580	2.9
109.06505	1.2
109.10161	2.2
111.04407	0.9
115.05460	1.0
119.08523	0.9
121.06511	5.5
121.10100	2.0
125.09592	1.0
127.11143	0.8
131.04924	4.2
133.10129	1.3
134.03606	0.9
137.05948	1.6
139.11166	1.6
141.06966	1.0
145.86934	0.8
147.04417	1.1
149.05997	4.0
151.03860	1.4
154.81079	0.7
159.04446	1.9
159.08046	1.0
161.06010	2.7
162.03099	8.5
163.07520	1.5
165.05492	1.2
167.07074	2.2
173.05934	0.9
173.09631	0.9
175.03934	1.0
177.05449	3.3
179.07018	1.1
181.04982	1.4
181.08623	1.0
183.71729	0.7
189.05441	2.5
189.09084	1.3
190.02574	16.5
191.03261	1.3
191.07019	1.2
193.05006	2.2
195.08025	1.0
199.03915	0.8
205.04945	100.0
206.05215	4.8
213.05466	1.1
219.06519	8.5
221.04341	4.4
225.05534	0.8
229.04929	1.3
229.08635	4.3
231.06534	1.4
233.08076	2.3
243.06482	1.4
245.08058	7.9
247.06000	0.8
247.09679	2.0
257.08057	8.2
261.11252	1.9
263.09174	2.1
269.08121	1.4
273.11273	6.1
275.09048	1.3
283.09564	1.7
285.11206	0.9
301.10806	1.0
301.14218	1.7
325.14307	6.2
343.15372	23.5
344.15637	1.3
361.16492	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	361.1643
Annotation	CHEMBL514546
Peak:m/z	Relative Intensity
55.01869	4.9
56.34889	3.3
65.03934	5.7
67.05502	4.6
69.07059	4.2
79.05474	16.5
81.03402	3.7
83.05001	5.3
86.09702	15.4
87.10060	4.6
90.23416	3.4
91.05470	41.0
93.03243	3.5
93.07041	9.4
94.04182	5.5
95.04980	18.2
99.04442	6.1
101.28798	3.6
103.05476	15.5
105.07029	15.0
107.04944	40.8
109.06459	4.5
111.04478	4.8
115.05424	7.4
117.06998	6.9
119.04937	15.6
121.06490	26.1
122.03634	8.2
123.04450	10.2
124.05228	4.9
128.06230	7.6
129.06978	29.5
131.04906	15.2
131.08574	10.8
132.20946	3.4
133.02859	5.9
133.06538	10.2
135.08080	11.2
137.05963	92.2
145.06517	8.1
146.07281	5.2
147.04407	12.6
147.07962	3.5
148.05128	6.0
149.05965	14.8
149.09630	3.2
150.06752	6.7
151.03899	11.2
151.07541	60.1
153.05472	14.5
153.06911	3.3
157.06499	17.7
159.08101	5.3
161.05972	87.7
161.07338	5.3
161.09592	21.8
162.06621	4.7
163.07524	35.8
165.07045	7.3
165.09132	7.7
166.06265	8.0
167.07033	58.0
167.08495	7.8
174.06772	14.9
175.07574	13.3
177.09145	16.1
178.07771	4.0
179.07043	8.3
181.06313	5.0
181.06868	5.7
181.08582	90.9
182.07234	8.7
183.07867	4.2
189.09077	100.0
191.08693	5.3
191.10570	4.5
193.06505	5.1
194.07312	5.1
195.08028	13.9
197.05965	3.8
197.09645	10.8
207.08214	5.7
207.10106	41.5
208.08788	4.1
210.06732	5.9
211.07553	4.4
219.08055	6.7
221.05899	3.5
222.06763	5.6
223.07520	9.0
224.08327	3.6
225.09120	13.9
227.06975	8.3
227.10683	11.1
236.08374	3.6
237.08984	4.9
240.07718	7.5
241.08588	5.0
251.10686	8.0
253.08499	17.4
255.10117	14.3
257.11707	14.0
265.08511	3.6
267.10037	7.3
269.07944	4.9
270.08908	5.7
271.13708	3.8
279.10016	6.1
283.09772	14.5
283.13348	6.5
285.11108	32.7
287.12637	21.3
297.11298	4.3
299.12637	4.8
302.11182	4.0
311.12866	5.5
313.14240	8.2
315.12225	14.6
317.13763	16.0
331.15448	8.0
343.15500	9.1
361.16513	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	13.7
55.05496	21.7
57.03421	7.9
60.04509	10.1
67.05495	32.5
69.03415	21.6
69.07056	37.0
70.12016	15.9
71.04967	10.4
79.05493	11.4
81.07041	26.2
83.08604	20.2
85.02895	39.3
85.06520	8.2
91.05468	33.5
93.07031	16.4
95.04977	11.1
95.08591	19.7
97.02881	14.8
97.06512	10.8
98.23363	8.5
103.05464	13.8
105.07032	12.0
107.04951	17.5
107.08576	15.9
108.16928	7.7
109.02860	9.3
109.10145	28.0
115.05476	9.8
119.04937	16.3
119.08581	8.8
121.06488	12.8
121.10083	8.0
125.09572	15.3
129.06955	11.3
129.19270	6.8
131.04897	9.5
131.08546	8.3
136.07545	9.7
137.05983	100.0
146.07167	10.5
149.05959	12.1
151.07507	49.3
153.07002	7.6
161.05934	79.2
161.09631	20.4
163.07552	28.6
163.14771	16.6
167.07074	15.9
167.08517	11.8
173.11700	26.5
174.06747	11.9
175.07515	15.8
177.09050	7.4
181.08600	20.9
181.15880	16.9
189.09064	52.0
195.07962	12.9
199.16830	52.0
207.08237	7.1
207.10130	35.5
210.06955	9.0
213.90137	7.2
223.07487	8.9
227.10634	17.7
253.12207	11.5
255.10155	12.4
267.10184	10.0
285.11267	11.1
287.12677	25.8
313.14532	9.1
331.15204	18.3
354.49988	7.6
361.18246	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	CHEMBL514546
Peak:m/z	Relative Intensity
51.03373	4.6
51.51870	4.9
51.99364	4.5
52.84626	4.3
56.71368	4.7
67.05506	5.6
69.24066	8.8
69.24401	25.4
69.63312	4.6
76.96764	4.6
79.05486	27.6
80.44339	4.4
81.07046	10.9
83.84232	4.8
88.95383	4.3
91.05464	40.4
93.07024	22.1
95.04947	19.2
103.05448	17.4
105.04520	6.9
105.07014	19.3
107.04940	58.1
109.06499	7.0
111.04381	5.4
113.04837	4.8
115.05395	5.7
117.07013	7.6
119.04929	12.2
121.06506	26.9
122.03603	10.5
123.04426	9.8
128.06200	14.8
129.06999	39.9
131.04933	19.0
131.08551	15.8
133.02838	8.9
133.06514	9.4
135.04414	6.6
135.08012	10.7
137.05966	76.7
145.06473	14.2
147.04388	12.9
147.08064	7.3
148.05220	6.1
149.05919	19.9
151.03891	16.2
151.07506	47.1
153.05418	14.2
157.06444	19.8
161.05951	86.7
161.09641	21.2
163.07532	31.6
165.05524	9.0
165.06972	14.3
165.09073	9.0
166.06233	17.3
167.07045	84.8
167.08476	14.2
174.06775	16.4
175.07472	13.7
177.09087	14.7
179.08456	9.7
181.08574	100.0
181.10094	7.3
182.07343	11.3
182.08865	7.4
183.07881	5.4
189.09093	93.8
190.07597	7.1
191.08528	7.4
193.06529	6.4
195.08037	17.4
197.09567	10.9
199.07574	6.1
207.10150	34.7
208.08829	7.0
209.05893	5.2
209.09567	6.1
210.06647	10.0
219.08002	10.0
221.05998	11.8
223.07433	18.9
225.09163	24.0
227.07121	6.8
227.10680	9.4
235.07520	7.7
236.08319	10.3
237.09087	11.4
239.07083	10.6
240.07771	6.9
241.08540	9.1
242.09387	5.5
247.07669	5.5
251.07095	7.6
251.10641	9.8
253.08545	24.2
255.06543	7.5
255.10153	13.5
257.11716	21.0
268.07306	8.0
271.13303	5.5
279.10144	11.2
281.07712	7.0
283.09671	17.1
283.13190	11.0
285.11078	35.4
287.12714	20.2
296.10306	6.3
297.11301	8.7
299.12436	6.2
311.12805	11.4
313.14346	7.7
315.12067	18.4
315.28568	4.9
317.13763	19.2
331.15295	10.8
343.15472	9.6
361.16110	28.1
362.23859	13.4
367.49863	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	361.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70382	3.2
55.05508	5.9
67.05492	6.7
69.03407	5.6
69.07056	9.6
69.53013	4.6
69.53404	8.3
70.06573	4.8
71.04999	3.2
72.08137	5.2
78.23825	3.2
79.05488	6.7
81.07053	4.8
83.04961	7.9
84.08156	5.8
85.02901	10.3
86.09695	13.3
91.05490	8.0
93.07035	11.4
95.04959	5.3
95.08604	9.4
97.02892	3.5
97.06494	18.3
98.23423	3.7
105.07053	5.6
107.04939	10.0
107.08584	13.3
109.06529	4.4
109.10134	7.7
111.04453	4.0
111.08069	7.8
119.04927	3.4
119.08589	4.2
121.06470	15.5
121.10095	4.3
125.05950	4.5
129.06924	7.6
131.04968	5.8
135.08052	6.7
135.11688	7.2
137.05995	11.7
137.09618	9.9
145.10098	3.1
149.05983	4.5
157.06459	5.2
163.11201	22.7
170.02179	3.1
181.12216	100.0
182.12531	3.6
185.06026	5.5
199.13261	5.9
345.09808	4.5
350.33960	4.1
361.13620	10.2
361.18240	5.9
362.15985	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	361.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39707	2.5
52.57357	3.0
55.05498	3.8
55.55896	2.9
67.05491	4.8
69.03415	7.4
69.07056	13.7
70.06603	2.7
71.05005	3.0
71.14323	3.2
71.38190	3.4
72.08175	3.4
78.40041	2.9
79.05498	7.8
81.03471	3.4
81.07053	5.3
83.04988	8.0
84.08160	4.7
85.02917	14.2
85.06493	2.8
86.09679	7.4
91.05486	6.8
93.07049	5.3
95.04961	6.1
95.08581	6.1
95.12329	3.4
97.02876	5.4
97.06512	20.4
101.32635	2.6
103.05450	5.6
105.07047	3.3
107.04967	7.4
107.08582	14.1
109.02917	3.3
109.06502	3.8
109.10140	10.9
111.08055	10.5
119.08606	4.1
121.06487	12.5
121.10130	8.1
123.08064	5.4
127.03925	3.2
129.06978	5.9
131.04913	4.7
135.08022	15.7
135.11693	5.4
137.05986	3.6
137.09578	10.2
145.10089	5.0
151.03903	4.1
157.06541	3.3
163.03839	4.0
163.07588	5.2
163.11133	17.1
181.12213	100.0
185.05902	5.9
199.08757	2.7
199.13351	3.4
202.09148	2.9
235.07649	4.0
246.72299	2.9
263.07120	4.9
270.09174	5.4
298.08597	4.7
361.13983	5.2
361.18118	9.5
362.12112	5.9
362.15988	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	361.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45623	0.6
51.35779	0.6
55.59100	0.7
57.07063	1.0
59.99915	0.6
67.05495	1.0
68.99773	0.9
69.07051	2.1
72.94025	0.7
77.00864	0.8
78.00983	1.0
79.05489	0.7
81.07056	1.0
83.01311	1.0
91.05503	1.8
93.07026	1.8
95.08622	1.2
96.01991	0.7
109.10125	0.9
121.06508	6.3
129.01828	4.4
131.04910	2.9
134.03584	0.9
149.05984	4.0
153.05426	1.5
162.03116	10.4
165.05489	1.3
165.24173	0.7
166.36095	0.6
177.05498	4.6
177.82347	0.7
185.08049	1.7
190.02599	19.8
195.06531	1.2
205.04948	100.0
206.05293	3.9
217.53961	0.7
219.06493	2.7
221.04391	1.3
233.08008	0.9
237.07549	16.6
242.13036	0.8
246.07387	0.8
247.09711	1.5
254.13168	1.3
256.14340	0.9
257.13959	0.7
272.13757	0.8
273.11203	1.3
274.10968	0.8
308.21255	1.6
320.21237	1.7
326.22443	1.3
327.72345	0.6
329.17545	1.6
338.22470	9.2
339.22220	1.4
343.15338	0.8
356.23425	3.2
357.23477	0.7
360.37323	1.1
361.20023	8.4
361.24051	1.0
361.28610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40464	0.6
55.01864	11.2
69.03426	1.5
69.42587	1.8
69.42986	2.9
71.63480	0.7
73.02901	9.8
85.02902	1.9
91.05460	2.7
95.04942	0.9
97.02868	11.5
98.97577	1.1
101.02362	13.9
103.05448	2.5
107.04944	2.3
110.27396	0.9
113.61523	0.8
117.06992	1.6
118.06492	1.1
119.04929	1.7
121.06482	1.9
122.05982	0.8
123.04424	1.2
128.04970	2.3
128.06198	5.1
129.07010	4.2
131.04895	1.7
133.06317	0.9
134.05980	1.5
135.04407	1.1
141.06950	4.4
143.08534	4.5
145.06461	3.5
146.05983	29.7
147.04433	4.3
147.06679	1.1
148.05164	1.2
149.05945	1.7
151.03876	2.3
152.06207	3.0
153.06956	11.3
155.04860	1.4
155.08488	5.0
157.06506	5.0
159.04417	1.6
161.06026	0.8
162.05499	2.3
165.06934	6.6
167.08560	2.7
168.05597	0.8
169.06441	2.3
171.08008	9.0
173.05952	3.9
173.09601	1.4
178.07713	2.2
179.03375	1.9
179.08530	5.4
181.06444	30.5
181.10156	1.4
182.07143	1.6
183.04349	3.0
183.06712	1.2
183.08052	7.3
184.05141	1.0
184.07610	1.0
185.05948	4.1
191.08521	2.8
193.06548	1.4
194.07272	1.5
195.08003	5.9
197.05946	3.8
197.09496	1.0
198.09190	1.6
199.07501	9.5
201.01547	2.2
201.05421	3.6
201.09145	1.0
207.07924	6.1
209.06039	3.9
209.09601	3.2
211.03870	1.4
211.07454	5.3
213.08873	0.8
214.95465	1.6
217.06560	0.8
217.08606	1.1
219.08041	2.1
221.05946	2.9
223.07523	1.3
225.09085	3.1
226.08658	1.4
227.07043	3.7
227.10582	0.8
229.04922	1.4
229.08611	0.9
232.96387	4.5
235.07498	9.3
236.07867	1.4
236.10367	0.9
237.09177	4.5
238.08540	0.9
239.07016	7.4
241.08679	1.7
245.08037	1.2
249.05385	4.1
250.97485	2.5
252.10226	1.1
253.08566	11.1
254.08876	1.0
255.10031	2.1
262.08551	0.8
263.07031	7.2
265.08563	1.8
267.06366	1.2
271.09546	1.4
280.09744	2.1
281.08060	8.2
283.09564	1.5
284.09515	0.9
288.97830	0.9
291.06567	2.7
298.10684	1.6
299.08981	4.1
308.08966	1.0
309.07559	3.4
317.10208	1.0
327.08752	3.7
327.12183	1.0
344.11130	1.9
345.09665	1.4
362.12268	100.0
363.06888	2.1
363.12628	5.7
371.77795	0.9
380.03436	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	362.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67163	0.9
55.01862	2.2
56.96558	0.9
69.03420	1.5
70.20349	1.4
79.05497	1.2
84.08156	0.9
87.35231	0.9
91.05478	3.4
95.04946	4.1
97.02881	6.3
98.97578	3.4
100.63261	0.8
101.00859	1.0
103.05453	2.7
105.03365	2.3
105.07074	1.1
107.04944	2.7
109.02840	1.2
109.06471	0.8
110.97572	0.9
112.57655	0.8
114.03926	0.8
116.98622	1.8
117.07042	1.2
119.01941	1.1
119.04911	2.9
121.06477	1.6
123.04417	3.4
125.02364	1.4
128.04930	2.8
128.06223	2.4
128.98587	1.1
129.07037	5.2
129.10210	1.5
131.04878	2.0
133.02814	1.5
133.05196	1.2
134.03658	1.2
134.05971	1.6
135.04414	3.5
136.06142	1.4
137.02333	3.3
140.75278	0.9
141.06961	5.4
143.01903	2.4
143.08549	1.4
145.06424	4.3
146.05991	28.3
146.07161	1.6
147.03259	1.6
147.04370	12.4
147.06746	1.8
148.05139	1.2
149.05956	1.5
151.03905	4.7
151.06239	1.8
152.06245	2.6
153.05435	1.6
153.06960	4.0
155.04880	3.2
155.06079	1.1
155.08484	5.5
157.06505	5.4
159.04430	0.9
159.07916	1.1
161.02962	2.8
165.05591	1.9
165.06967	14.5
166.07779	1.9
167.08562	9.9
168.05719	3.5
169.06447	6.2
171.04433	1.0
171.08025	2.1
173.01151	1.4
173.05974	4.0
175.04436	1.4
177.06906	1.6
178.07773	3.7
179.03397	10.6
179.08513	3.3
181.06450	4.7
181.10156	2.5
182.07358	1.2
183.04396	2.1
183.06551	1.7
183.08025	14.2
184.05110	3.0
184.07550	1.5
185.02994	1.0
185.05942	5.9
185.09634	1.4
187.07561	2.0
190.07741	1.2
191.08600	2.7
193.06512	7.7
194.07292	2.4
195.08020	11.1
196.05388	1.0
196.07463	1.2
197.05972	5.9
199.07541	1.9
200.06953	1.0
201.05524	1.4
201.09259	1.3
203.03900	1.5
207.08067	4.1
209.06102	0.9
209.09550	3.0
210.06837	2.0
210.09058	2.3
211.07518	24.5
211.09491	1.4
212.04703	1.8
212.08008	1.0
213.05463	3.0
213.09108	3.0
215.07109	1.7
216.98663	2.1
217.98836	2.9
218.98537	1.5
219.08060	3.7
220.07690	1.2
221.05968	9.0
222.06705	1.3
223.07559	3.3
225.05455	2.6
225.09109	2.4
229.04988	1.9
229.08591	1.4
230.05844	1.3
230.08110	1.4
235.07492	6.3
235.99828	1.2
237.09053	6.5
238.08470	2.2
239.07013	21.7
241.08708	1.0
242.05792	1.3
249.05498	3.1
253.08522	9.7
255.10194	1.4
257.08096	2.2
259.99979	1.4
263.07028	6.3
265.08530	1.6
266.08072	1.6
267.06384	6.3
271.09656	2.3
271.99875	2.1
280.09726	1.3
281.08017	8.6
284.09344	1.1
285.07486	1.8
299.09091	6.2
309.07587	4.1
321.10587	1.0
327.08496	1.9
344.11200	1.9
362.12271	100.0
363.12610	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	362.123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54775	2.2
54.97930	2.3
55.01867	15.4
60.04528	8.9
65.03941	3.8
67.05495	10.0
67.42108	2.3
69.03420	3.3
69.07063	2.5
70.06575	12.1
71.00367	2.2
72.08150	6.2
79.05479	75.0
81.03413	5.8
81.07069	4.0
83.01339	4.6
86.09695	9.4
91.05477	9.5
93.07069	2.7
95.04964	27.1
97.02887	12.9
97.06537	3.2
99.04463	3.7
101.02386	4.8
103.05457	7.4
105.03387	17.3
105.07013	4.8
105.33363	2.5
107.04969	8.5
109.06535	2.9
109.10172	2.8
110.07143	3.0
115.05445	3.5
116.07093	3.8
116.97124	2.3
117.06997	4.0
119.04962	7.3
119.08539	3.7
120.08076	9.7
121.02882	3.3
121.06506	15.2
123.04406	81.0
124.04815	2.7
128.06198	3.5
129.06984	11.5
131.04924	9.4
133.02832	80.2
133.06468	4.1
133.10104	2.8
135.04382	6.7
137.05943	5.6
141.06944	3.2
143.08455	3.7
145.06505	5.4
147.04388	25.1
147.08008	4.1
148.05191	5.0
149.02336	8.2
149.05962	9.3
151.02661	4.0
151.03873	74.9
151.05028	3.8
153.01622	2.9
153.05560	2.7
153.06999	6.6
155.04889	3.2
155.08527	3.5
157.06453	12.0
159.04446	10.9
159.08092	3.1
161.05960	6.8
165.05637	3.2
165.06964	7.4
167.07130	4.1
167.08525	6.1
171.08009	4.8
173.05984	5.7
175.03928	9.1
175.07492	3.3
176.04672	13.1
177.05437	16.1
177.06795	2.5
178.07750	4.1
179.07246	2.7
179.08586	11.0
179.76845	2.2
181.06485	25.8
181.12236	2.5
182.07228	2.7
183.04395	6.1
183.08078	7.6
185.06018	5.9
187.03819	5.7
189.06984	5.8
189.08878	2.2
191.08578	9.0
193.06497	4.4
195.08107	4.6
197.05981	5.1
197.09610	3.9
199.07529	6.8
201.05437	7.8
202.05711	2.6
203.06990	6.1
204.53705	3.0
207.08017	13.4
209.05949	3.4
209.09605	4.2
211.03932	3.1
211.07539	10.9
217.06531	10.2
217.13559	3.1
219.08067	5.3
219.14842	3.1
221.05927	4.5
225.09119	9.3
227.06978	2.9
229.04927	5.0
231.06500	5.0
235.07491	25.8
237.09088	7.6
239.06992	8.6
249.05278	3.0
253.08588	21.5
255.10202	2.6
257.08130	7.6
263.06967	16.1
271.09546	3.9
273.11136	4.6
281.08051	32.2
283.09711	2.7
299.09140	9.2
309.07562	11.3
317.10287	5.8
319.04407	2.9
327.04642	5.6
327.08569	100.0
328.09143	3.5
344.24307	7.3
344.83981	2.3
345.09677	60.6
346.10052	3.4
362.15594	27.8
362.23627	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	362.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01603	2.0
53.03932	4.9
55.01857	13.0
60.04513	6.7
64.83625	2.1
65.03937	3.5
67.05489	7.0
69.03411	4.7
69.07034	2.8
70.06574	5.3
72.08153	7.6
76.54568	1.9
79.05479	75.0
81.03404	12.1
85.02897	17.4
85.57890	2.4
86.09706	6.5
89.03883	2.4
91.05462	8.6
93.07058	3.5
95.04955	23.4
97.02886	9.7
99.04440	3.4
103.05463	4.9
105.03385	11.5
105.04458	2.7
105.07023	14.3
107.04930	3.8
109.02869	13.5
109.10130	3.7
116.07082	5.2
117.06971	2.1
119.04929	4.1
120.08079	4.6
121.06493	16.2
122.03664	2.4
122.10450	2.6
123.04412	71.4
123.08106	2.3
127.03918	8.0
129.07011	7.8
130.06497	76.9
130.07420	4.1
131.04935	7.1
131.06833	2.8
133.02832	69.2
133.06476	28.9
135.04382	3.2
135.08029	2.6
137.05956	78.3
141.06967	2.8
145.04971	4.9
145.06470	3.8
147.04395	22.9
148.05212	3.0
149.02341	7.0
149.05954	8.4
151.03877	60.5
151.05043	3.9
153.06960	7.9
155.04884	2.3
155.07216	2.1
155.08484	4.0
157.06458	5.7
159.04404	8.8
161.06078	2.9
165.06985	5.9
165.09091	29.2
167.07072	3.9
167.08693	3.7
171.04349	2.3
171.07991	2.4
173.05983	3.9
175.03880	7.6
176.04694	16.2
176.07124	3.6
177.05441	17.8
178.07764	4.6
179.07089	4.0
179.08514	11.1
181.06415	19.1
181.10056	3.9
183.08099	6.4
183.10146	29.8
185.16391	3.2
187.03809	4.3
190.04861	2.5
191.08614	6.2
194.07333	3.1
195.08058	4.4
197.09465	3.2
199.07506	5.1
201.05437	5.4
203.06978	4.7
207.08076	13.0
209.09674	6.0
210.10220	2.4
211.07513	7.6
217.06485	6.6
219.08084	4.8
221.06000	3.3
225.09131	6.4
227.06970	4.6
229.04939	2.6
231.06529	3.1
235.07454	18.0
237.09096	4.2
239.06981	5.8
253.08598	15.6
255.10300	3.2
257.08087	7.7
263.06995	13.8
269.17905	2.2
271.09668	4.2
273.11133	5.9
281.07977	24.8
299.09076	7.5
309.07388	12.0
317.10315	8.5
326.23181	2.9
327.08585	100.0
328.08887	5.8
345.09628	46.3
346.09836	4.5
362.11899	13.6
362.24329	5.2
363.10187	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	362.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	14.7
59.52822	2.2
60.04524	16.8
67.05513	8.5
69.03423	4.4
70.06589	9.1
70.59098	3.3
72.08153	11.8
79.05485	54.5
81.03414	5.9
81.07030	2.3
83.01344	6.1
86.09694	12.1
88.11098	2.3
91.05489	11.0
93.07032	5.4
94.05424	2.6
94.09662	2.4
95.04958	23.6
97.02885	13.2
103.05482	3.4
104.11079	2.4
105.03394	9.3
105.07009	2.7
107.04939	7.7
109.02872	6.0
116.07073	15.0
116.37958	2.6
117.07017	4.8
119.04938	7.2
120.08087	21.1
121.06495	15.9
123.04427	53.0
128.06239	5.5
129.07018	18.4
131.04930	8.9
131.08569	3.9
133.02837	100.0
133.06496	4.4
135.04463	3.3
137.05949	15.6
138.06335	5.5
141.07022	3.8
143.08559	4.5
145.06474	5.1
147.04390	25.9
148.05176	3.3
149.02336	4.2
149.05969	6.9
151.03889	52.2
151.07562	4.1
152.07889	3.9
153.07016	7.5
155.04910	6.2
155.08517	7.0
157.06465	10.9
159.04387	12.6
160.03514	3.0
161.05960	10.2
162.06345	2.9
163.07510	2.8
164.08000	3.7
165.05695	3.0
165.07008	10.6
165.09044	2.7
166.07706	3.5
167.07201	3.8
167.08572	6.9
167.80428	2.6
169.13371	2.5
173.05995	7.2
175.03960	5.1
175.07545	5.2
176.04646	12.5
177.05470	10.3
178.07791	3.5
179.05736	5.2
179.08513	16.7
180.06557	5.9
180.08850	2.8
181.06488	25.2
181.10020	4.3
182.08911	2.4
183.04405	13.2
183.08035	9.8
185.06001	4.5
187.03854	7.9
189.07036	6.2
189.09045	5.4
190.09499	6.2
191.08507	7.6
193.06526	7.0
194.07292	2.9
195.08101	8.6
197.09506	4.5
199.07567	3.5
201.05473	8.6
203.07079	8.4
205.06416	4.6
207.08096	20.5
207.09988	4.7
208.10526	3.0
209.09627	4.5
211.03868	7.2
211.07454	13.1
217.06488	28.2
219.07954	6.1
219.14816	3.6
221.05960	8.0
225.09100	7.2
227.07062	5.2
229.04959	7.9
231.06393	12.2
235.07507	39.3
237.09070	7.0
239.07077	10.2
251.93719	2.5
253.08542	28.6
255.10344	2.7
257.07953	7.0
263.07047	18.8
271.09543	2.5
273.11261	3.8
281.08078	35.7
282.08353	3.2
288.13293	3.1
291.06589	7.9
299.09113	13.4
303.77679	2.6
309.07547	23.9
317.10065	8.4
327.08600	97.2
328.09067	5.9
344.24316	10.3
345.09695	55.0
362.12332	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	362.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.8
57.03405	1.8
61.02907	4.1
65.62933	1.2
68.90313	1.3
69.03400	7.4
70.96666	2.1
71.04998	1.8
73.02903	2.1
77.55552	1.1
81.03393	3.7
83.61202	1.2
85.02891	48.1
91.03941	3.3
97.02870	13.6
99.04423	2.4
109.02854	4.6
123.04412	100.0
124.04744	2.3
127.03905	9.3
137.05939	4.1
145.04930	18.9
163.05998	2.3
165.05447	99.4
166.05806	1.7
180.08670	8.0
183.06503	19.2
183.21169	1.3
184.06996	1.1
189.05621	1.6
200.09164	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	362.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33957	1.3
57.03425	3.3
57.92586	1.1
61.02915	5.2
62.91527	1.3
69.03420	12.0
70.96877	1.7
73.02908	2.0
75.66526	1.2
76.95644	1.3
81.03416	4.8
82.71373	1.2
85.02894	47.3
87.04426	1.2
91.03944	2.6
97.02873	11.9
99.04465	1.8
109.02880	4.9
123.04410	100.0
124.04749	2.5
127.03932	7.7
130.06482	10.5
137.05977	4.7
145.04939	13.6
165.05453	63.1
165.09074	2.5
166.05832	2.3
180.08643	4.2
183.06544	8.6
190.94420	1.1
200.09251	1.6
312.66418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.5
58.56142	2.0
61.02905	2.8
62.60074	1.8
67.05492	23.0
69.03412	7.7
69.20962	6.7
69.21368	4.6
71.04948	1.9
73.63383	1.7
79.05481	6.2
81.03399	2.8
81.07032	8.6
85.02902	18.5
91.03953	2.3
91.05463	12.0
93.07029	14.7
95.04964	8.3
95.08588	6.1
97.02883	7.0
98.22630	2.5
105.07011	3.1
107.05009	2.7
107.08582	21.0
109.06523	6.8
109.10148	61.5
117.06976	2.9
119.08572	22.0
125.05959	8.5
127.03900	4.2
133.10158	2.6
137.08577	3.7
137.09593	51.8
142.92496	2.1
145.04915	4.4
147.08057	11.4
165.09103	100.0
180.08607	3.1
183.10149	11.9
183.25552	2.6
190.09372	2.5
205.04825	2.6
295.80853	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	362.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
56.67002	2.9
57.40147	2.7
60.04511	6.9
67.05497	4.9
70.06580	4.2
72.08144	13.1
73.38137	3.0
74.66665	2.9
78.90260	2.8
79.05484	29.8
81.03434	4.3
85.02895	3.9
86.09696	31.4
91.05479	4.5
95.04959	7.1
97.02901	4.0
98.22686	7.7
103.05470	4.5
105.03345	3.5
105.07019	28.3
107.04942	3.2
107.89484	2.8
107.90221	3.0
109.02882	7.4
116.07069	5.5
120.08089	6.1
123.04408	37.7
124.04758	5.0
127.03831	4.2
128.06180	3.1
130.06508	11.9
131.08536	3.4
133.02841	20.3
133.06491	28.6
137.05951	33.0
147.04420	5.8
151.03882	20.9
152.18086	3.3
153.06924	3.3
165.07007	3.8
165.09091	100.0
166.09407	4.3
167.07092	3.1
176.04716	3.8
177.05466	7.4
181.06458	4.5
185.16499	9.5
190.05000	4.4
192.07307	3.2
207.08049	3.5
211.07600	3.1
213.16019	6.4
228.19992	3.3
235.07510	5.6
239.67766	3.2
253.08655	7.6
281.08130	7.8
327.08548	35.5
344.24249	4.5
345.09586	13.0
372.59213	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	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86697	0.3
53.03932	1.1
55.01875	0.5
55.05491	1.4
57.03418	0.4
60.04511	1.0
61.02909	1.2
62.87511	0.4
63.42785	0.4
67.05479	0.6
69.03417	1.9
70.06559	0.4
71.04974	0.9
72.08140	0.5
74.06066	0.4
78.97756	0.4
79.05474	1.5
80.70583	0.5
81.03408	6.3
81.07041	0.5
85.02891	7.4
86.09698	0.5
87.04494	0.4
91.05456	0.7
93.07040	0.5
95.03352	0.4
95.04967	1.5
97.02876	2.6
99.04443	1.8
103.05444	0.9
105.03390	0.5
105.04567	0.5
105.07006	1.2
109.02872	5.0
118.30588	0.4
123.04414	51.6
124.04766	1.0
125.32573	0.4
127.03891	3.2
128.50174	0.4
129.06950	0.6
130.06509	100.0
131.06868	2.9
133.02853	0.7
133.06465	0.8
133.10089	0.5
136.06245	0.4
137.05960	1.3
145.04962	1.1
147.04362	0.5
147.08046	1.2
151.03874	3.9
157.42450	0.4
165.09102	20.2
166.09448	0.5
172.07568	1.2
175.03966	0.6
176.07040	1.0
178.03282	0.8
180.08693	0.6
183.06512	1.5
190.04961	1.3
191.08583	0.5
207.03491	0.5
208.09793	0.5
209.09947	0.8
281.08109	0.8
326.23260	0.5
327.08612	1.3
362.06845	0.8
362.16046	0.6
363.06958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03981	2.1
60.04514	4.6
61.20271	2.5
67.05493	3.9
69.83316	2.3
70.06593	3.0
70.65073	3.4
72.08150	6.8
79.05489	15.9
81.03379	3.9
81.07059	3.1
85.02887	4.1
86.09704	15.5
91.05458	3.7
94.99670	2.3
95.04955	6.8
97.02904	4.2
103.05472	3.3
105.07016	28.7
113.51180	2.5
120.08094	3.3
121.06485	3.1
123.04415	21.5
127.03992	2.6
129.06975	3.0
130.06531	12.1
133.02847	10.5
133.06468	19.6
134.37746	2.4
137.05971	33.7
147.04384	8.0
151.03917	15.7
152.26405	2.2
158.52258	2.6
165.09103	100.0
166.09410	5.0
177.05505	3.2
185.16473	7.0
190.04889	3.2
213.15895	2.3
224.15184	2.2
235.07495	2.8
253.08672	4.2
281.07883	3.1
327.08585	17.0
345.09506	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	362.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45709	4.0
69.07517	8.0
69.07928	20.9
73.17520	3.6
79.05492	3.7
86.06063	6.2
88.07619	12.1
91.05467	5.2
93.07063	6.3
95.08595	5.0
107.08556	7.0
121.06497	5.7
121.10107	4.4
132.10204	5.4
139.88835	4.0
155.08528	6.1
177.12749	7.3
190.02542	5.2
205.04985	50.7
206.05315	6.5
211.07544	4.3
256.07413	4.9
270.27823	11.2
271.09637	100.0
271.12360	8.6
289.21591	16.2
314.30469	6.9
327.16116	5.0
362.32565	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.6
56.96565	9.8
69.03424	8.6
69.36092	26.5
73.02908	8.4
81.03381	8.7
85.02886	23.9
86.90928	31.6
97.02879	15.0
97.98291	6.3
98.97548	12.1
127.03893	10.2
146.06013	10.1
147.06364	10.6
157.09715	6.0
158.99550	7.8
177.71999	6.0
191.03831	11.3
200.04333	10.9
201.01590	100.0
207.01707	7.9
219.01743	7.5
363.06876	93.3
363.11963	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	363.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94690	4.4
62.35969	4.3
67.29850	4.2
71.35987	5.3
71.45686	4.8
91.04020	4.8
98.97579	12.3
119.01867	6.6
123.04455	6.0
201.01584	94.4
256.37152	5.5
345.13773	6.7
363.06787	100.0
363.12198	10.4
363.16476	9.2
364.06610	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	363.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79108	4.4
56.96561	8.3
61.73021	4.3
65.54569	4.1
69.48501	20.7
72.91760	4.1
79.74397	4.1
80.45962	4.0
98.97556	28.3
110.97555	10.5
116.98608	9.6
128.98598	5.0
158.99725	5.9
170.99719	5.1
201.01595	100.0
219.01746	19.6
225.49126	4.2
237.02846	20.5
280.33856	4.9
303.07431	9.0
321.05167	5.9
321.08496	31.0
334.98352	5.4
363.06525	74.7
363.12708	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	363.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50768	3.3
56.96563	7.2
69.03413	4.3
70.06593	5.5
79.05500	4.7
81.07112	3.0
81.30051	3.2
82.51173	3.4
85.02883	8.3
86.84492	3.2
91.05475	4.6
92.90360	3.2
93.06997	5.9
95.04972	4.0
97.06480	3.6
98.97570	23.5
105.07040	7.3
106.69323	3.2
110.97558	3.2
116.07080	3.2
116.98605	13.7
118.23772	2.7
119.08597	9.2
121.10091	3.3
123.04420	12.4
124.04678	3.5
128.98547	4.1
134.99622	4.3
137.05986	7.7
147.08086	3.7
163.03922	4.2
164.04280	3.9
165.09122	6.3
167.07155	4.0
183.10023	4.1
201.01711	5.2
201.05370	3.9
201.11104	4.5
219.01646	4.1
237.02808	10.5
243.05302	3.8
261.06384	4.9
335.10062	7.5
363.06595	4.9
363.10477	68.3
363.16132	100.0
364.10538	5.0
381.10815	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	363.1796
Annotation	Macrocalyxin E
Peak:m/z	Relative Intensity
53.29187	0.3
55.05497	0.7
58.19188	0.3
59.87931	0.3
60.37672	0.3
67.05495	2.1
68.99799	0.4
69.03413	0.4
69.07047	0.7
69.65487	1.1
73.92355	0.3
77.92153	0.3
79.05476	0.6
80.51859	0.3
81.07045	3.3
83.01322	0.9
85.06511	0.9
90.16502	0.3
91.05470	0.9
93.07034	1.7
95.08588	2.1
98.23310	0.7
103.05431	0.5
105.06985	0.5
106.70094	0.3
107.08563	0.4
109.06523	0.5
109.10139	6.1
119.04903	0.3
119.72758	0.3
121.02782	0.3
121.06477	4.8
121.10110	0.8
123.11705	0.8
131.04887	2.8
133.06572	0.4
134.03633	0.5
135.11664	0.4
147.04385	0.5
149.05978	2.5
159.04390	0.8
162.03102	6.9
165.05386	0.4
167.06975	0.3
171.04433	0.4
177.05453	1.9
189.05391	0.4
190.02573	15.6
191.03012	0.4
193.04915	0.6
199.03883	1.1
203.03445	0.3
205.04927	100.0
206.05283	3.3
207.06554	0.5
213.05431	0.8
214.92339	0.3
217.04877	0.4
219.06483	13.2
220.06761	0.6
221.04398	0.7
227.06921	0.5
231.06508	1.4
233.08005	2.6
235.05791	0.4
245.08116	1.3
247.09598	3.7
250.99263	0.3
253.85861	0.3
257.08029	0.5
259.09662	2.1
261.11142	1.2
271.09534	1.1
273.11145	0.5
277.10721	1.5
285.11093	0.6
287.12759	0.3
315.15854	5.3
316.16006	0.4
327.15869	10.0
328.16153	0.6
333.16907	11.1
334.17252	0.9
345.16916	2.9
363.17969	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	363.1796
Annotation	Sculponin L
Peak:m/z	Relative Intensity
55.79616	1.8
56.10937	1.8
57.11358	2.0
60.20193	1.8
68.82932	1.9
69.03420	4.9
69.15855	4.2
69.16257	10.6
77.14084	1.9
81.07059	2.4
91.05457	3.5
93.07027	3.2
95.08568	2.3
98.22689	3.9
107.08566	2.6
109.10155	6.2
121.06474	6.3
131.04927	4.4
135.11696	2.4
159.04372	2.4
162.03123	7.0
167.32137	2.1
177.05409	2.5
179.07191	2.4
181.04907	7.5
190.02525	14.8
205.04924	100.0
212.14229	2.2
219.06520	8.1
259.06000	2.7
271.09451	2.1
275.12604	5.1
327.16043	9.5
345.17001	11.8
363.17859	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	363.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
67.05495	1.8
68.99778	0.4
69.03409	0.3
69.07049	0.8
69.64657	0.6
79.05475	0.7
81.07048	3.2
83.01329	0.8
83.08595	0.3
85.06541	0.7
91.05462	1.2
93.07043	1.9
95.04917	0.3
95.08616	2.3
96.18575	0.2
96.39748	0.2
103.05437	0.5
105.07030	0.3
107.08544	0.3
109.06553	0.3
109.10143	6.4
112.85757	0.3
119.04984	0.3
121.02859	0.3
121.05689	0.5
121.06499	4.1
121.10129	0.6
123.11673	1.1
131.04889	2.5
133.02762	0.3
133.06458	0.4
134.03636	0.8
135.11684	0.4
147.04355	0.4
149.02341	0.5
149.05988	2.3
159.04376	0.7
162.03105	7.4
163.07497	0.4
168.20145	0.3
177.05391	1.6
189.05478	0.3
190.02589	16.5
191.02960	0.7
193.05000	0.8
199.03857	1.2
203.07056	0.3
205.04938	100.0
206.05280	3.4
207.06520	0.7
213.05406	0.6
219.06496	12.6
220.06866	0.5
221.04427	0.6
222.02007	0.3
231.06474	1.3
233.08072	3.2
244.07460	0.3
245.08115	1.6
246.07722	0.4
247.09644	3.7
257.08017	0.3
259.09515	2.1
261.11212	0.9
271.09573	0.9
273.11124	0.6
277.10669	1.0
285.11139	0.4
315.15860	4.2
316.16528	0.3
317.17316	0.4
327.11935	0.5
327.15869	10.2
328.16049	0.7
333.16919	12.1
333.20877	0.6
334.17276	0.6
345.16812	2.3
363.17966	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	363.1799
Annotation	Sauriol A
Peak:m/z	Relative Intensity
52.19407	1.8
60.04507	4.9
67.05492	2.3
70.91298	2.1
79.05476	3.2
81.07043	2.0
84.02462	1.9
91.05458	6.4
93.07033	3.4
94.04185	4.7
95.04943	2.1
95.08593	3.3
98.23407	2.3
103.05448	7.7
105.07021	6.2
119.04899	2.4
121.06471	4.0
122.03627	7.7
128.06244	2.3
131.04921	10.5
133.06480	15.4
135.08089	3.5
137.05963	100.0
138.06277	5.7
143.08495	2.7
145.06502	4.0
149.05922	2.9
151.03867	2.3
151.07549	8.8
152.33333	1.9
163.07559	24.8
175.07521	3.6
177.05457	7.9
179.03474	2.8
187.07309	2.2
189.09048	2.5
195.06427	2.6
201.05376	4.4
205.04893	3.7
223.05942	6.5
236.53741	2.7
263.10687	2.1
283.13297	2.2
295.13348	3.4
363.14230	3.2
383.33984	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	363.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.0
55.57283	1.4
57.03453	1.4
57.07067	22.5
59.04997	17.4
60.23792	1.6
65.91700	1.6
67.05492	3.2
69.07050	3.3
69.56351	2.1
69.56697	5.5
71.08619	28.7
79.05482	2.5
81.07038	5.7
83.08604	1.4
85.10178	2.0
89.06022	22.2
93.07037	3.2
94.79104	1.7
95.08593	5.0
97.06548	2.2
97.10130	1.7
109.10132	2.3
113.13256	2.1
117.09122	2.4
119.08585	1.6
121.01014	1.4
124.32097	1.4
133.08582	7.8
154.20219	1.6
156.71367	1.7
177.11256	1.5
179.14319	1.6
191.10678	4.5
195.12219	8.1
275.10529	1.6
292.82959	1.9
345.24103	4.0
348.21854	1.6
363.28656	100.0
364.28833	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	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.8
55.01867	1.3
55.05513	8.7
57.07060	2.4
59.04991	1.1
67.05499	8.3
69.07063	12.1
71.04984	1.9
71.08611	3.1
72.08159	1.0
79.05477	5.3
81.07053	12.4
83.08628	4.7
85.06525	1.2
89.06023	1.9
91.05463	3.3
93.07038	7.5
95.04989	1.0
95.08595	10.0
97.06506	2.6
97.10149	2.1
99.08092	1.4
105.07029	3.5
107.08607	7.7
109.06503	12.6
109.10151	4.9
111.08044	1.6
117.07006	0.9
119.08548	5.4
121.06511	1.5
121.10135	5.5
123.08061	66.9
123.11703	2.0
124.08401	1.2
127.74443	0.8
131.08559	1.8
133.10136	2.7
135.08095	5.1
135.11699	1.7
137.09621	4.8
145.10126	1.1
147.11687	2.4
149.09634	1.2
149.13272	3.0
159.11661	1.7
161.13200	0.9
165.12752	1.8
167.14371	1.1
167.84961	0.8
177.12770	1.2
179.14297	32.3
180.14731	1.0
233.18965	0.9
233.49043	1.0
238.13747	0.9
242.05173	0.9
275.20078	1.2
280.96408	0.9
289.25101	1.4
307.22623	9.3
308.23123	1.1
328.24765	0.9
331.26279	5.5
363.28903	100.0
364.29355	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	364.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37428	2.1
52.10371	2.2
56.96562	3.5
70.06540	2.8
81.51725	2.1
85.02898	6.1
90.56028	2.7
96.08172	3.2
97.02876	3.5
98.97577	5.1
99.77187	2.2
116.98599	4.6
123.04394	11.5
139.03867	2.6
147.04355	2.8
151.03896	8.5
156.10156	23.8
167.07010	100.0
175.07394	2.3
176.76315	2.4
185.04181	9.9
185.08086	3.0
202.10701	3.1
202.14273	4.0
203.05208	25.6
213.04379	2.7
239.02390	2.8
254.28796	2.6
303.08572	7.5
343.24887	2.4
364.15018	5.5
365.10974	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	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
54.31753	2.2
55.01859	4.2
55.05490	2.3
57.03425	7.5
61.02916	13.5
67.05492	8.3
69.03416	26.2
69.07069	2.3
69.60872	3.9
69.61217	6.5
71.04965	3.7
71.31774	1.8
71.38623	2.2
73.02897	3.1
79.05480	8.0
81.03413	8.8
81.07053	9.9
83.04973	3.4
83.06178	2.3
85.02892	100.0
87.04461	14.1
87.74986	1.8
91.03955	6.3
91.05473	5.2
93.07045	16.3
95.08595	19.5
97.02878	27.1
97.06519	2.8
98.22762	4.7
99.04434	3.8
101.06013	2.4
105.07010	5.9
106.05044	2.4
107.08546	4.3
109.02882	7.5
109.10125	2.4
115.03909	12.5
119.08612	3.3
120.08051	4.5
121.10123	25.4
123.08231	2.6
127.03893	19.5
129.06908	2.1
131.08600	3.1
133.02850	3.3
139.11182	24.3
143.08643	2.8
145.04942	32.8
149.09605	3.1
157.12170	3.7
167.10617	4.8
185.11722	6.2
203.10574	2.5
206.57739	2.4
302.17459	8.6
364.21234	6.2
365.10181	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	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95243	7.1
52.75271	6.4
67.05524	8.3
69.60831	31.9
72.67155	7.6
75.04486	13.8
78.24697	8.0
81.07045	13.2
82.58302	7.9
85.02915	12.5
91.05473	10.1
93.07036	100.0
95.08594	8.6
107.08569	16.9
111.08089	11.2
121.10126	78.1
123.11707	14.8
139.11134	16.2
149.09612	31.8
167.10677	44.3
253.31747	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	364.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05554	9.6
60.04518	20.6
67.05505	14.2
69.03428	10.9
69.43361	8.4
69.61697	14.2
69.62072	15.1
72.08115	12.8
75.04443	10.0
79.05489	18.9
81.07053	10.2
85.02881	17.5
89.37556	10.7
93.07032	81.3
94.36269	8.9
95.04982	10.3
106.19402	9.6
109.10154	11.0
109.44382	8.7
120.08116	13.0
121.10127	100.0
137.05956	14.4
137.09607	9.5
139.11154	18.2
167.10638	30.2
170.69432	8.1
203.07088	9.1
267.68979	7.9
346.25601	11.0
364.18365	15.6
364.27039	17.5
365.15759	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	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15579	6.7
79.05480	15.6
81.07043	28.6
85.42815	5.6
89.70502	5.7
93.07047	30.0
95.08569	15.2
103.90588	6.7
105.06998	13.0
107.08578	8.4
121.10139	100.0
123.11698	33.5
139.11185	11.4
149.09517	13.2
167.10669	38.3
177.06978	6.2
232.55775	6.9
295.06415	6.9
336.92621	6.8
354.37323	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	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95243	7.1
52.75271	6.4
67.05524	8.3
69.60831	31.9
72.67155	7.6
75.04486	13.8
78.24697	8.0
81.07045	13.2
82.58302	7.9
85.02915	12.5
91.05473	10.1
93.07036	100.0
95.08594	8.6
107.08569	16.9
111.08089	11.2
121.10126	78.1
123.11707	14.8
139.11134	16.2
149.09612	31.8
167.10677	44.3
253.31747	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	364.2688
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
53.03931	0.9
55.01868	1.8
55.05510	2.9
56.05041	4.1
57.03436	1.2
57.07080	0.8
57.30272	0.6
58.02960	1.1
60.04521	100.0
61.04841	0.6
65.03948	0.7
66.65659	0.7
67.05502	10.8
68.05016	1.9
68.14010	0.5
69.03432	1.9
69.07059	3.9
70.06585	1.8
71.04974	3.3
72.04514	1.4
74.06076	1.6
79.05489	8.1
80.05016	5.3
81.03430	3.3
81.07053	12.1
82.06559	3.7
82.07392	0.7
83.04993	2.5
83.08597	1.5
84.08144	1.0
85.06545	1.6
86.06066	0.8
91.05468	4.8
93.07041	6.1
94.06562	2.0
95.04980	4.3
95.08591	8.4
96.08141	2.7
96.08939	0.7
97.06519	3.1
97.10149	0.9
98.06071	2.0
99.04456	1.9
99.08084	0.7
100.07617	0.8
101.06050	0.9
102.05524	1.1
105.07040	2.8
106.06592	0.9
107.04967	1.2
107.08569	3.2
108.08128	0.7
109.06513	1.7
109.10161	2.9
110.06029	1.1
110.09801	0.7
110.10489	0.9
112.07614	1.6
112.23730	0.7
113.05997	1.2
116.07093	1.7
117.07025	1.2
119.08588	2.9
120.08135	1.2
121.06503	1.3
121.10108	1.5
123.08020	0.6
123.11733	1.0
124.07610	2.2
125.05987	1.1
126.09185	0.7
127.07520	0.8
131.08574	1.1
133.10133	1.8
135.11687	1.0
136.06160	1.2
137.06038	1.0
137.09634	1.9
137.13208	1.1
138.09088	1.3
138.10040	0.8
142.08614	7.0
145.10110	1.4
147.11691	0.9
149.13214	1.0
156.10178	2.4
159.11707	0.9
160.09651	3.1
167.10841	0.7
172.09694	2.3
174.11235	1.1
190.10735	2.0
208.11836	1.8
251.20021	0.9
274.21640	1.8
292.22647	4.0
310.23676	6.5
328.24765	7.7
346.25848	11.1
347.26321	1.0
364.26895	38.5
365.27179	3.7
379.81635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
53.03926	1.7
54.06396	0.2
55.01862	1.6
55.05503	30.6
56.05836	0.6
57.03423	0.8
57.07068	2.2
59.05000	0.4
60.08152	4.7
60.98502	0.3
65.03928	3.2
66.75465	0.2
67.05492	71.0
68.05823	1.3
69.03427	0.4
69.07056	28.6
70.07384	0.3
71.04975	2.5
71.07365	0.6
71.08620	0.6
71.19253	0.5
73.02908	2.9
73.06539	0.6
77.03906	0.9
79.05479	45.2
80.05808	0.8
81.03417	0.3
81.07042	58.2
82.07366	0.9
83.04957	1.5
83.08605	8.8
85.02908	0.6
85.06531	1.4
86.09692	1.5
87.04457	0.8
91.05466	18.7
92.05791	0.6
93.07027	47.1
94.07353	1.1
95.04957	5.9
95.08588	38.4
96.08936	1.0
97.06515	1.9
97.10155	3.1
99.04427	2.6
99.08083	0.6
101.06029	0.6
105.04514	2.5
105.07008	9.4
106.07340	0.4
107.08574	23.1
108.08930	0.5
109.06511	1.9
109.10136	12.7
111.08061	0.9
111.11686	0.3
111.61541	0.3
113.06020	0.6
113.87696	0.3
117.06985	1.7
119.06085	0.4
119.08554	6.2
119.09382	0.4
120.08889	0.3
121.06525	0.5
121.10124	15.1
122.10484	0.6
123.08128	1.3
123.11684	2.9
125.09608	0.6
127.07559	0.4
129.06984	0.3
131.08546	2.7
133.10104	4.1
135.08069	0.5
135.11670	8.0
137.09619	0.6
137.13257	0.6
143.08595	0.5
145.10081	1.9
147.11693	2.2
149.09572	0.3
149.13226	4.8
153.53392	0.3
157.10052	0.4
159.11647	0.7
161.13239	1.1
163.14786	1.8
171.11674	0.5
173.13245	1.0
175.14810	0.5
177.16411	0.4
181.12311	0.3
185.13200	0.5
189.12560	0.3
199.14914	0.4
203.14279	0.4
211.04399	0.3
221.78717	0.3
228.80255	0.3
235.16864	0.5
235.59309	0.2
246.31389	0.3
249.18411	0.3
252.49178	0.3
273.06097	0.3
305.24689	83.6
306.25012	5.9
364.32022	100.0
365.23105	0.3
365.32361	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	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.5
56.33756	0.4
59.96438	0.4
60.04509	1.3
67.05504	0.5
69.55065	1.7
70.06596	0.5
72.07783	0.7
72.08150	8.0
73.08468	1.0
79.05476	0.8
81.03412	0.4
81.07048	0.6
93.06998	0.6
98.23393	0.5
120.08100	11.6
121.08447	2.0
121.40388	0.4
161.05963	0.5
171.00543	1.4
177.05659	0.4
185.04190	6.3
203.03133	100.0
204.03462	2.3
219.14873	3.5
220.15225	1.8
221.04176	0.5
265.15454	1.2
266.16037	0.4
280.06052	0.4
364.26978	0.5
365.08383	23.6
366.08502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09770	0.6
56.96561	4.4
69.40057	2.0
70.06601	2.1
73.93240	0.5
81.42027	0.6
86.09718	1.6
98.97588	3.7
110.97560	1.4
116.98640	2.2
120.08124	1.7
128.88828	0.6
128.98601	2.1
146.99687	1.0
154.37349	0.5
161.01236	1.3
179.07764	0.6
185.04181	4.5
185.05573	0.5
195.03357	1.2
203.03105	7.4
213.04343	3.0
219.01796	1.8
221.01163	0.9
221.03008	4.8
237.02773	2.8
239.02197	3.0
257.03418	1.7
272.80835	0.6
281.36081	0.6
295.36716	0.6
347.06076	1.8
365.08536	100.0
366.09027	5.2
383.06546	1.6
387.84451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85987	7.5
56.96556	38.0
58.33311	6.8
69.03408	19.9
69.66972	7.7
70.56467	10.2
71.04962	8.8
84.96062	7.3
85.02888	23.7
86.09673	11.6
86.90928	9.5
97.02896	44.0
98.97571	49.4
110.07149	19.7
110.97551	11.9
115.03919	9.4
116.98571	15.1
119.01917	14.1
124.00293	13.6
128.98610	16.8
130.00279	9.2
131.01848	14.6
138.05379	9.8
143.01901	12.9
146.01553	8.8
147.52237	7.2
149.01917	12.5
149.51862	12.0
155.01874	18.2
156.07611	12.1
157.00771	11.5
161.02945	13.4
170.02319	9.4
173.03001	15.3
176.02557	10.2
176.52412	9.1
177.00629	10.0
184.01207	9.1
185.02888	18.5
185.04305	13.5
191.02136	12.4
197.03059	15.9
203.05356	19.9
209.02904	9.9
210.08186	8.2
213.00887	8.1
218.53748	10.3
219.01697	8.6
229.02890	15.3
235.02933	12.4
236.54561	7.6
237.02702	10.4
242.04724	11.1
245.04364	16.6
250.03377	9.7
251.04980	29.3
251.55272	17.9
256.57651	22.9
257.05212	10.3
257.07776	13.0
259.04016	25.3
259.53845	8.9
260.05246	12.3
268.04361	14.1
299.06107	71.4
299.56070	37.5
300.06201	35.7
300.56174	9.3
305.10800	13.3
307.04950	19.1
307.55002	13.1
308.06622	9.3
365.08618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63318	0.7
61.95658	0.7
63.34177	0.7
69.27055	2.1
69.27439	1.7
70.06602	0.8
70.68297	0.7
77.76833	0.7
81.89742	0.8
87.62764	0.8
133.74452	0.7
163.03874	1.2
175.07526	1.4
185.04181	63.7
195.27803	0.8
203.03108	12.9
203.05177	2.7
203.06874	6.8
271.04590	1.0
365.08307	100.0
366.08704	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	365.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.0
54.43778	1.1
62.42168	1.0
70.04546	2.5
90.05550	3.0
91.51891	1.0
115.03940	1.7
117.13541	1.2
177.54527	1.2
185.04176	27.9
186.04527	1.2
203.05226	63.0
220.39447	1.0
228.76350	1.0
231.90613	1.0
247.16284	1.2
365.10605	100.0
366.10980	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	365.1018
Annotation	Justicidin B
Peak:m/z	Relative Intensity
51.00093	0.9
52.90198	0.8
57.07060	1.2
64.01612	0.9
67.05508	1.3
69.92493	1.8
69.92828	1.4
70.06577	2.2
79.05450	1.2
81.07033	1.8
92.80423	0.8
104.19954	0.8
105.07021	2.1
157.10077	1.1
162.03174	1.0
189.06873	1.9
202.07787	2.3
203.08574	2.9
205.06480	2.2
217.06516	2.6
218.07228	3.0
219.08014	6.5
220.08810	2.8
230.07242	3.1
231.08020	4.0
232.08765	4.0
233.05936	4.0
233.09619	1.2
234.06685	1.5
235.07472	2.3
237.44757	1.0
245.06000	3.2
246.06648	9.6
247.07509	12.7
248.08188	8.5
249.08766	1.7
251.10750	2.6
258.26941	1.1
259.07431	2.7
260.08301	7.5
261.05432	2.2
261.09070	3.2
262.09802	2.8
263.06989	2.6
263.10638	9.9
264.07730	1.2
273.18372	1.2
274.06357	1.6
275.06970	17.4
276.07700	8.1
277.08469	3.5
278.09369	2.1
279.10062	3.0
289.08597	9.5
290.09119	2.6
291.06567	2.8
291.10077	16.6
292.07401	1.9
292.10406	1.2
293.11511	1.3
301.29526	1.7
302.29669	3.1
303.03217	1.4
303.06473	21.1
304.06891	2.8
305.08151	1.8
306.08871	1.8
307.09460	6.3
319.09595	3.3
321.11163	30.6
322.11478	1.6
333.07562	2.8
335.09064	14.5
337.10696	1.0
347.09058	3.7
364.33154	14.3
365.10013	100.0
365.13672	78.2
365.22922	2.2
365.33463	3.4
366.09964	6.6
366.13943	4.2
382.13818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.105
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95580	0.6
70.56210	1.1
72.33013	0.5
79.17895	0.6
138.02281	0.8
155.16162	0.7
185.04193	28.7
191.17235	0.6
194.71478	0.6
203.05240	58.5
204.05725	1.2
237.66635	0.6
290.13623	0.7
315.26636	0.7
365.10526	100.0
366.10910	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68712	0.7
66.54247	0.6
70.61989	0.6
71.08872	1.1
86.88901	0.6
88.30897	0.7
109.41270	0.7
158.05605	0.6
185.04193	26.7
185.05898	1.4
203.05234	55.8
204.05655	1.4
221.90311	0.6
245.04889	1.1
247.26813	0.7
268.39764	0.6
322.95724	1.0
332.51953	0.7
365.10574	100.0
366.10876	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	365.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11372	1.0
56.96556	24.4
60.95443	0.9
62.26170	0.9
68.55434	0.7
69.28712	2.4
69.29113	1.6
70.06586	1.3
74.97603	1.4
76.54664	0.8
84.08137	2.7
84.96016	6.8
87.69145	0.8
98.97570	61.1
100.99123	5.6
102.97112	0.8
110.97549	17.5
112.05988	1.1
112.99132	2.2
115.00648	1.7
116.98608	25.4
116.99400	1.8
119.00168	3.3
120.08067	1.0
124.99123	1.1
128.98590	19.8
128.99504	0.7
129.02318	0.9
129.10217	1.2
129.13454	0.9
131.00131	3.4
134.99643	7.8
140.98552	2.4
141.02278	1.3
143.00136	3.7
144.98042	3.7
146.99611	10.7
147.03339	1.3
149.01204	2.0
152.98584	3.0
158.99635	19.0
159.03265	6.4
161.01192	6.9
161.04852	9.5
162.99115	2.9
165.00792	1.0
170.99628	5.7
173.01282	1.3
177.00682	20.3
177.04297	5.4
179.02263	1.5
179.05867	13.4
179.07263	1.1
180.60291	0.9
187.38716	0.8
189.00699	5.3
192.01836	1.1
195.01721	2.1
201.00728	2.6
201.04277	2.5
203.05907	8.8
207.05309	1.5
210.03024	1.0
215.05936	1.5
219.01727	27.9
221.06847	4.8
234.03072	1.0
235.28534	1.0
237.02777	49.3
238.03122	1.1
245.06868	3.1
255.03900	4.0
257.07007	1.8
263.07977	1.2
269.06921	1.0
305.09009	58.7
306.09305	3.3
323.10086	100.0
324.10510	4.3
346.11734	2.5
365.11215	22.9
366.07227	1.6
366.11630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33133	0.8
65.12780	0.9
68.45536	0.8
69.03423	2.2
69.84120	2.1
69.84444	1.8
71.05044	1.1
81.03413	1.0
85.02908	2.0
91.05472	2.1
95.04954	1.0
105.07034	2.6
126.97144	0.8
128.06247	1.5
129.06972	4.3
133.06485	1.3
147.04396	1.9
147.08046	3.9
157.06485	2.9
160.05159	5.8
161.05978	3.8
165.89766	1.1
174.06754	1.8
175.07521	19.0
176.08022	1.1
185.04234	15.0
185.05972	3.0
197.40102	0.8
202.06070	1.5
203.03123	30.7
203.06995	79.4
204.07420	3.6
246.26765	0.8
254.12387	0.8
272.40726	0.8
365.08295	19.2
365.12161	100.0
366.08606	1.8
366.12463	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06351	0.2
51.97299	0.3
53.03928	0.3
53.53189	0.3
55.01867	1.4
57.03421	0.5
59.05000	0.4
60.04514	1.3
61.02903	0.4
68.99770	0.7
69.03419	1.9
69.07029	0.4
69.78976	0.6
71.04961	0.5
79.05469	0.7
79.81321	0.3
81.03403	0.7
81.07034	1.0
81.30962	0.3
85.02892	3.4
87.04414	0.3
91.05450	1.6
93.07021	0.5
95.04932	0.4
97.02874	1.0
97.06504	0.4
103.05450	0.3
105.07014	3.6
107.04942	0.4
107.08545	0.6
108.04492	0.3
109.02867	0.6
109.06430	0.3
109.10124	0.8
115.05467	0.5
117.06974	0.5
119.04921	0.5
119.08565	1.9
120.08100	0.4
121.06487	0.3
122.02362	0.3
123.11655	0.6
127.03825	0.6
128.06174	1.0
129.06975	5.2
130.07309	0.3
131.04897	0.8
131.08536	0.6
132.05658	0.6
133.06488	1.4
133.10043	0.3
139.03847	0.4
145.06448	0.6
146.07210	0.3
147.04391	2.5
147.08026	4.3
148.08333	0.3
151.11136	0.7
155.05991	0.3
157.06444	3.1
157.12091	0.4
158.06912	0.3
160.05174	6.6
161.05945	4.8
169.12186	1.2
174.06744	2.7
175.04045	0.6
175.07512	21.2
176.07835	0.9
185.05925	3.3
187.13231	0.5
188.04689	0.4
196.05952	0.3
201.05482	0.4
203.06987	100.0
204.07335	4.4
249.07510	0.3
327.30634	0.4
346.25662	0.4
365.12170	16.6
366.12683	1.2
366.28378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07841	0.7
69.95933	2.6
74.10824	0.6
88.08838	0.7
102.83617	0.7
106.40049	0.7
107.07720	0.8
116.46410	0.7
138.32167	0.7
221.60922	0.7
297.83005	0.7
365.13562	100.0
366.13937	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	365.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
57.89790	2.0
67.05484	2.5
69.07066	2.9
75.25880	1.9
76.98051	1.9
77.51180	2.3
79.05489	2.1
81.07055	5.7
83.08620	2.1
93.07055	3.7
95.08609	2.4
96.53297	2.1
107.08575	4.1
108.14186	1.8
109.06524	3.4
114.85341	2.2
121.64676	2.1
123.08083	6.9
135.08110	2.2
151.07568	4.7
152.08290	3.4
165.09097	19.3
193.12277	2.8
208.14708	3.2
221.11504	4.9
221.15405	2.8
243.43414	2.1
298.03583	2.1
305.24878	2.4
319.26471	2.8
331.22504	2.2
342.24207	2.4
347.25778	38.0
365.10065	4.3
365.23047	4.1
365.26849	100.0
366.27188	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	365.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99136	17.8
66.05736	18.1
67.05479	21.7
67.98677	17.7
69.47610	86.0
80.06425	17.8
81.07040	29.9
95.08586	22.3
101.43840	18.4
173.85709	17.3
183.32561	17.7
203.05325	32.9
235.13077	38.5
248.89069	17.1
277.14050	74.4
280.81720	17.9
365.10132	100.0
365.22745	32.1
365.26740	51.6
371.04535	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	365.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01862	8.6
55.05498	30.1
55.38080	1.6
57.03429	12.2
57.07073	1.7
62.21746	1.3
67.05154	2.6
67.05492	36.5
69.03413	14.2
69.06772	1.8
69.07055	42.8
69.15303	3.2
69.15710	7.0
71.04971	1.5
79.05476	28.7
81.03397	6.9
81.07046	20.5
82.68185	1.4
83.04956	4.9
83.08611	10.1
85.06533	1.9
91.05469	17.9
92.16654	1.4
93.07014	17.5
95.04948	10.8
95.08578	13.7
97.02882	17.2
97.06522	4.5
97.10149	19.9
105.07004	12.4
107.04911	10.9
107.08577	16.0
109.06490	2.3
109.10155	8.4
111.08037	2.4
115.05462	1.5
116.59657	1.5
117.07008	8.0
118.07533	1.5
119.08561	11.1
121.06474	4.9
121.10139	4.5
123.08011	3.5
125.09583	13.6
129.07007	3.3
131.08551	8.8
133.06479	2.3
133.10120	4.5
135.08054	4.6
135.11636	2.6
137.09554	4.2
143.08533	2.1
145.10080	4.3
147.08046	5.1
147.11653	3.8
149.09628	1.6
149.13199	2.6
151.07416	2.1
157.10138	3.4
159.11731	2.5
161.09579	3.4
163.11221	1.8
165.09122	2.5
171.11642	2.2
175.11197	2.3
177.12762	2.8
189.11192	7.5
205.12199	2.6
223.11244	2.6
223.13264	33.1
225.22430	1.6
255.17545	1.5
267.08945	3.4
273.18378	12.2
285.09949	3.1
291.19498	100.0
292.19925	5.4
300.27374	1.5
347.22516	1.5
365.10349	2.5
365.23016	92.1
366.23450	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	365.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
58.42815	0.5
60.21832	0.5
67.05499	0.8
70.06286	0.7
70.06628	0.9
79.05470	1.3
81.07043	2.0
91.05463	1.2
93.07033	0.9
95.04953	1.0
95.08588	0.6
97.83392	0.4
109.06517	0.6
119.08552	0.6
121.10084	0.7
126.61144	0.4
129.16672	0.5
131.08562	0.6
249.14648	1.0
251.12683	0.5
273.18353	1.0
283.25552	0.5
291.19669	1.0
295.15082	0.5
327.70172	0.5
341.64886	0.4
347.22250	0.7
365.10754	4.7
365.22922	100.0
366.23264	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78269	2.3
55.01854	6.9
55.05505	14.0
57.03178	3.7
57.03432	51.9
57.07050	3.6
59.08767	2.4
65.03937	3.3
66.65852	2.3
67.05496	48.6
69.03409	6.0
69.07061	13.3
70.89951	4.2
71.04970	5.4
79.05476	29.7
81.03392	4.1
81.07045	34.1
82.48904	2.7
83.04978	3.5
83.08592	4.6
85.06538	37.4
91.05470	24.4
93.07034	25.5
93.65106	2.4
95.04955	57.8
95.08586	16.6
97.06534	3.5
97.10159	4.2
105.07023	23.2
107.04947	12.3
107.08573	17.2
109.06500	48.2
109.10141	7.5
111.08094	2.8
113.05988	93.6
115.05459	4.1
117.07005	10.8
119.08562	17.4
121.06515	4.8
121.10128	10.0
123.08064	7.7
125.09572	3.3
127.07523	16.1
129.07018	8.0
131.08557	11.2
133.06433	3.2
133.10127	10.3
135.08023	27.3
135.11646	7.3
137.05920	3.4
143.08549	6.9
145.10130	10.0
147.07971	5.9
147.11679	7.7
149.09641	5.2
157.10088	6.2
159.08083	3.0
159.11682	5.8
161.09592	7.8
163.11136	3.4
169.10103	3.1
170.06003	13.8
171.11627	2.9
173.13261	3.5
199.14819	2.6
201.12651	3.1
217.15891	12.8
263.12766	3.9
264.97818	2.4
269.10611	2.8
273.18381	21.8
288.67142	2.6
291.19485	53.3
303.12646	2.6
365.10318	5.7
365.19278	4.6
365.22968	100.0
366.23328	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
54.59898	1.9
55.01851	6.3
55.05500	8.8
57.03430	55.2
57.07051	3.7
58.03361	2.2
65.03932	3.1
67.05494	48.6
67.79884	2.2
69.03413	4.1
69.07069	10.9
70.26373	4.4
70.26707	3.0
71.04981	5.2
71.05429	2.0
79.05480	23.7
81.03406	2.3
81.07046	25.5
83.04968	2.4
83.08602	3.8
85.06535	31.6
91.05455	20.7
91.51146	1.9
93.07037	21.5
95.04958	54.4
95.08582	13.8
97.02885	2.1
97.06519	5.7
97.10213	2.6
105.07000	13.6
107.04933	10.4
107.08605	13.5
109.06503	50.8
109.10105	2.8
113.05993	100.0
115.05472	2.6
117.07002	9.0
119.06097	2.0
119.08583	10.7
121.06474	3.6
121.10098	5.5
123.08038	4.5
127.07534	5.9
128.06163	2.5
129.07008	5.5
131.08533	10.3
133.06432	2.5
133.10144	6.0
135.08031	27.6
135.11658	7.0
142.06561	3.0
143.08533	6.0
145.10109	8.2
147.08075	4.2
149.09583	4.7
149.13268	2.2
157.10094	5.6
158.89606	2.0
159.11688	3.3
161.09581	7.9
163.11215	2.7
165.08995	2.6
170.05989	8.5
171.11635	2.7
173.13277	6.0
175.11172	3.8
177.12762	3.2
183.11681	2.4
185.09433	2.2
203.05231	2.8
217.15822	12.6
227.70779	2.0
235.16716	2.1
237.16393	2.1
240.91743	2.0
266.25723	2.5
269.10669	2.1
272.54611	2.7
273.18497	20.1
291.19501	33.6
339.52240	2.1
365.10211	8.6
365.19214	5.6
365.23053	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.9
55.05505	28.4
57.03435	11.9
59.04999	1.5
65.03921	1.9
66.00850	1.4
67.05492	31.8
69.03421	12.6
69.07056	41.4
69.32329	8.1
71.04971	1.5
79.05479	27.9
81.03419	5.1
81.07050	25.9
82.76862	1.5
83.04957	8.3
83.08606	9.8
85.06536	1.7
90.34472	1.4
91.05467	14.0
93.07033	16.3
95.04969	7.9
95.08588	9.2
97.02883	14.5
97.06500	2.0
97.10155	14.1
98.22743	2.8
105.07026	9.6
105.85069	1.4
107.04949	6.2
107.08566	14.1
107.22729	1.4
109.06499	4.0
109.10149	10.4
111.08078	3.3
117.07005	5.3
119.08551	10.5
121.06487	3.4
121.10142	4.2
123.08039	4.3
125.09617	15.5
129.07018	3.2
131.08560	6.1
133.00847	1.6
133.06451	2.1
133.10121	6.5
135.08064	4.1
135.11670	3.3
137.09608	4.2
143.08481	2.3
145.10129	4.7
147.08051	5.3
147.11687	2.5
149.09592	2.0
149.13240	3.2
157.10089	2.3
159.11703	2.4
161.09602	2.1
165.09120	2.5
171.11626	1.8
175.11166	1.9
177.12843	1.6
185.13298	1.8
189.11208	6.4
195.13712	2.2
205.12181	3.3
223.13242	34.5
227.12656	2.0
255.17455	1.7
273.18436	12.9
291.19507	100.0
292.19913	5.0
364.33356	2.1
365.10349	3.4
365.23099	40.1
365.27188	2.3
366.23682	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.0
55.05505	35.4
57.03425	12.9
57.24477	2.6
67.05496	41.5
69.03415	15.2
69.07062	38.5
71.04961	4.2
71.93999	2.8
79.05481	37.6
80.02422	2.6
81.03412	7.6
81.07047	34.2
83.04974	7.3
83.08601	12.6
85.06536	3.9
91.05463	26.4
91.60178	2.9
93.07043	24.2
95.04961	13.4
95.08607	20.0
97.02895	22.0
97.06513	4.8
97.10161	16.4
105.07019	21.6
105.07612	2.7
107.04942	11.8
107.08582	20.4
109.06525	4.4
109.10136	15.5
110.03674	2.6
113.06083	2.6
117.07015	7.7
119.08601	16.6
121.06494	6.9
121.10144	6.2
123.08028	3.3
125.09615	11.7
128.06213	3.4
129.06973	5.9
131.08516	11.9
133.06464	6.7
133.10158	15.0
135.08043	9.3
137.09671	3.9
143.08479	4.4
145.10065	11.5
147.08044	6.9
147.11697	2.9
149.09557	3.8
151.11143	6.3
157.10091	5.6
159.08005	4.5
159.11685	4.5
161.09662	5.6
163.11107	2.8
169.10068	3.0
171.11691	4.7
189.11194	6.7
223.13295	27.5
245.18922	6.0
273.18527	19.3
291.19485	100.0
292.19788	9.0
347.22330	3.8
350.71893	3.0
365.10248	4.2
365.23093	72.0
366.23276	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	365.247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59724	7.3
55.05505	26.3
56.40470	7.2
57.03412	11.2
57.07027	8.7
62.61860	6.8
67.05495	35.0
69.03417	19.3
69.07056	28.2
69.44092	8.5
70.82749	7.3
78.43885	7.3
79.05472	44.8
81.07044	40.9
83.08585	11.8
85.06557	11.1
91.05468	50.4
93.07042	66.6
95.04956	48.4
95.08615	40.3
97.06526	9.8
105.07008	91.3
107.08573	50.8
109.06523	17.2
109.10152	24.0
115.05417	9.1
117.06998	29.2
119.08553	77.3
121.10110	47.6
121.91027	7.7
129.06995	27.1
131.08562	45.7
133.10123	27.9
135.08034	12.4
135.11681	16.8
142.07790	22.8
143.08517	47.5
145.10088	51.3
147.08017	15.6
147.11586	17.3
149.09595	17.3
149.13229	10.8
155.08572	29.7
156.09349	12.5
157.10028	45.0
158.10800	10.2
159.08035	11.3
159.11667	35.9
161.09654	22.4
161.13234	8.4
163.11237	8.8
165.06979	9.2
167.08606	9.2
169.10129	23.4
171.11658	33.2
173.09613	14.9
173.13248	29.8
175.11185	15.1
179.08437	12.0
181.10117	22.1
182.10889	21.7
183.11647	43.7
185.13252	16.2
187.11145	10.6
191.14297	19.1
193.10129	23.0
194.10919	10.4
195.11687	29.3
196.12341	8.5
197.13307	25.2
199.14850	8.3
206.10846	14.1
207.11678	31.0
209.13260	39.6
211.14796	16.8
215.14479	10.7
217.10196	11.8
220.12383	9.4
221.13120	16.3
223.14786	15.7
225.12663	18.9
233.13252	9.3
235.14743	14.8
237.16382	11.8
247.14796	9.8
249.16397	13.8
251.17960	9.0
273.22070	15.4
320.09238	11.1
347.23566	27.6
365.24591	100.0
366.13065	15.0
366.25360	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	365.2685
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01870	0.9
55.05507	1.7
57.07068	7.6
61.96453	0.7
62.83709	0.8
67.05499	2.6
69.07054	1.0
71.42307	0.6
79.05475	1.6
81.07046	2.1
85.06535	5.2
91.05479	1.3
93.07032	1.8
95.08585	2.9
97.06536	1.0
105.07038	1.8
107.08564	1.8
109.06518	3.5
109.10171	1.2
111.52716	0.7
119.08592	1.2
123.08028	4.5
124.08856	1.0
133.10081	1.1
135.08081	2.2
143.08533	0.7
145.10097	0.7
151.07515	4.3
152.08324	7.5
165.09096	9.9
179.10664	1.5
194.13002	3.1
207.13866	1.5
220.09283	0.7
221.15300	0.9
223.81462	0.7
235.16879	1.3
263.20090	5.6
278.39267	0.8
319.07266	0.8
319.26276	2.1
347.25803	22.8
348.26041	2.7
365.10150	1.8
365.26828	100.0
366.27124	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	365.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.3
57.07064	3.9
67.05502	7.5
68.05835	1.0
69.07047	4.3
69.95004	1.4
69.95396	1.3
70.07373	1.0
71.08597	1.0
74.95969	0.8
79.05484	5.2
80.05799	0.8
81.07036	7.2
82.07365	1.4
83.04987	1.0
83.08595	1.8
85.06538	3.6
91.05444	2.0
92.05801	0.7
93.07026	4.7
94.07368	1.6
95.04961	1.2
95.08586	5.5
96.08913	1.1
97.06546	1.0
105.07024	1.6
107.08572	4.0
108.08922	0.9
109.06506	3.1
109.10139	2.0
110.10429	0.9
111.04413	0.9
119.08543	1.1
121.10148	1.8
123.08042	5.5
123.11689	0.9
124.08826	0.9
125.05980	1.0
133.10110	0.9
135.08025	2.6
135.11656	0.8
142.92790	0.6
145.10048	1.1
147.11664	1.2
149.09557	0.7
150.02690	0.7
151.07523	3.6
152.08334	3.7
165.09088	14.2
166.09801	0.8
177.09013	0.8
179.10661	2.2
179.14326	0.6
190.26021	0.8
193.12202	1.0
208.14505	0.9
219.13603	0.8
221.15367	1.6
235.17053	1.0
249.18492	1.1
251.11931	0.7
260.57938	0.7
263.20081	2.8
305.24753	4.4
306.25003	7.5
307.26236	1.1
319.26126	4.1
320.26443	0.7
347.25754	39.3
348.26129	4.1
359.85309	0.9
365.10345	1.5
365.26825	100.0
365.32239	9.2
366.27090	8.8
366.33514	1.6
387.50220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96281	2.0
56.96556	30.2
70.17892	1.6
73.97342	0.9
82.40378	0.9
84.96026	9.8
95.76878	1.1
98.97567	96.7
110.97552	78.2
111.07856	0.9
112.99132	5.9
116.98599	54.8
128.98586	100.0
131.00146	7.0
134.98669	1.8
134.99638	17.4
136.06142	5.0
140.98567	2.3
142.88852	1.0
143.00095	1.4
144.98039	2.8
146.99625	41.9
149.01201	3.4
152.00131	1.6
152.11595	0.9
153.00658	1.9
158.99606	2.1
162.99110	1.5
165.00710	4.0
170.99588	8.4
173.01259	1.2
174.00874	2.4
177.00734	1.9
182.99649	2.8
186.04500	1.4
189.00659	15.2
192.01892	57.7
201.00708	6.6
203.00447	1.0
204.01773	1.0
207.01730	3.2
210.02948	47.7
210.04964	2.3
220.01405	5.9
222.02809	1.1
228.04016	4.9
234.02931	25.2
238.02414	3.1
246.00412	2.0
246.02951	39.2
247.03288	1.2
248.04491	6.3
249.02849	3.6
252.04007	12.8
264.03998	18.4
266.05582	2.8
266.23349	1.0
282.05127	1.5
306.05048	2.4
324.06097	31.8
325.06271	1.0
342.02930	2.4
342.07123	41.0
366.06769	50.9
367.07523	2.0
384.08221	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	366.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40852	0.3
57.88193	0.3
60.04519	0.4
70.06560	0.3
70.67039	0.6
79.05457	0.6
81.07069	0.4
86.09700	0.7
95.04939	0.5
104.05034	0.4
105.04483	0.4
106.04234	0.3
106.06532	1.3
107.04937	1.6
110.06058	0.3
115.05411	0.5
120.08060	1.5
122.06026	0.9
131.06020	2.1
132.04475	0.5
132.06813	0.3
134.05966	1.5
135.04344	0.8
139.98909	0.3
142.06490	0.4
145.07593	2.5
146.05952	0.8
147.09143	0.7
148.03912	0.8
150.05505	0.6
152.07048	10.8
159.03120	0.7
160.03915	0.7
160.05150	0.6
160.07509	0.5
161.05954	1.4
162.05481	0.7
162.09126	0.3
169.07605	0.8
170.06012	1.2
171.04311	0.4
172.03882	2.4
173.12878	0.9
186.05472	0.9
187.05000	52.4
187.08519	4.2
188.05333	2.0
188.06990	10.4
188.08368	0.2
189.07314	0.4
190.08644	0.5
197.07048	3.2
198.05482	3.1
198.07515	0.6
199.06161	0.7
210.05434	1.0
212.07072	0.4
215.08128	100.0
216.08476	4.2
217.09689	6.5
222.05486	2.1
231.17850	0.4
240.04129	0.5
240.06477	3.8
246.09077	0.5
261.06622	0.4
303.08243	0.3
303.11224	1.9
321.12259	0.5
331.10764	1.4
348.13422	1.2
350.09988	0.5
359.43079	0.3
366.14471	4.0
367.14734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01868	7.7
55.05502	2.8
57.03424	5.4
61.02911	6.1
63.42743	1.4
63.47645	1.3
67.05487	3.1
68.99795	3.1
69.03421	34.5
69.27066	5.1
69.27479	3.3
71.04967	6.6
73.02918	7.3
79.05492	2.6
81.03411	25.4
81.07053	4.9
83.04963	1.6
83.08620	1.9
84.04482	2.3
85.02896	100.0
87.00821	45.1
91.05466	1.8
93.07031	2.5
95.08578	2.6
97.02264	1.7
97.02883	31.6
99.04443	14.4
105.01855	65.1
107.08582	1.8
108.04465	2.6
108.72278	1.4
109.02864	24.2
109.10111	2.2
111.04427	1.3
111.08028	2.6
115.03916	1.7
117.01879	1.9
127.03902	68.4
129.01839	2.6
133.10037	1.5
145.04953	35.7
147.07974	1.5
151.07487	2.1
155.06967	1.7
159.02873	19.7
169.12215	1.5
187.04929	1.8
189.03860	3.2
191.10732	1.6
203.74292	1.6
209.11736	3.4
213.03983	2.5
215.08195	2.6
226.66876	1.5
231.04976	21.6
232.05431	1.5
248.07472	1.7
249.06065	5.2
275.46777	1.6
295.11621	2.6
306.10959	1.5
306.15259	1.4
366.21729	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	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12812	3.2
55.05508	5.1
55.94816	3.4
57.07079	6.5
59.08183	3.7
61.28440	3.6
67.05485	14.4
69.03427	3.9
69.07057	10.7
69.09011	16.1
69.09416	6.3
71.04993	6.6
72.10062	3.7
79.05452	3.7
81.07047	38.2
83.08594	4.4
85.02907	6.4
85.06527	25.2
93.07012	3.4
95.04950	11.0
95.08591	3.4
107.08576	4.3
109.10136	52.2
118.32056	3.3
121.49799	3.8
123.11696	37.5
125.09615	8.1
127.11176	62.4
128.11452	3.3
133.10027	3.4
134.85664	4.2
151.11125	6.7
158.59064	3.2
169.12204	100.0
185.04041	5.3
187.13268	9.9
205.08405	22.4
246.91843	3.7
367.13306	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05504	6.1
56.05017	4.3
57.07055	1.2
60.04520	100.0
61.04862	1.4
67.05496	12.7
68.05032	1.5
69.03419	2.1
69.07053	3.7
70.06583	1.4
71.04973	2.7
72.04502	2.7
72.08138	1.7
72.73755	0.9
74.06065	3.0
79.05495	9.6
80.05002	2.0
81.03386	1.2
81.07044	18.5
82.06566	2.0
83.04950	1.8
83.08587	1.3
85.02882	3.7
85.06525	3.2
86.06073	1.3
86.09670	1.4
90.05516	1.3
91.05477	8.6
93.07033	13.6
95.04925	2.8
95.08595	12.4
96.04460	1.0
96.08121	0.9
97.06513	1.8
99.04433	1.1
99.08085	1.2
101.77084	0.9
102.05505	2.8
105.06999	6.0
107.08580	9.9
109.06453	1.5
109.10164	6.8
111.08087	1.3
112.05058	1.8
116.07060	2.0
117.06999	2.6
119.08556	4.9
120.08067	2.8
121.02833	2.3
121.06467	1.2
121.10122	8.6
123.11672	3.2
131.08534	2.9
133.10121	4.9
135.11684	3.3
136.06146	1.9
136.07552	1.8
137.05998	1.4
143.08571	1.1
145.10118	1.3
147.11681	3.3
149.13223	1.9
151.11148	2.8
159.11629	1.5
160.05127	0.9
161.05733	1.1
161.13220	2.7
163.03873	2.1
175.07491	2.7
175.14798	1.2
176.07860	3.5
187.09630	2.8
203.06984	7.9
204.07364	16.0
205.04916	2.3
217.19414	1.6
264.23035	1.0
276.23184	3.5
283.05927	2.1
294.24243	6.3
296.06418	1.0
312.25247	11.0
330.26334	26.8
348.27399	34.3
349.27679	1.3
366.12363	5.9
366.28433	57.7
367.08163	2.2
367.13440	6.9
367.17343	3.7
367.28906	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.7
59.86987	3.1
60.04519	100.0
61.81175	3.2
65.58440	3.0
67.05497	25.3
69.03414	9.2
69.07068	11.9
70.06587	5.7
71.04980	19.5
73.58080	4.5
79.05497	8.6
81.03397	8.0
81.07046	26.5
82.06571	6.9
83.04986	5.3
83.08615	3.9
85.02911	9.8
85.06538	31.0
86.09720	17.2
87.05586	14.7
91.05470	22.1
93.07035	14.5
95.04965	7.5
95.08598	9.3
97.02879	14.1
99.04427	7.8
105.07023	21.3
106.35430	3.4
107.04990	4.7
107.08574	19.2
109.02840	4.0
109.06501	4.8
109.10136	35.6
111.08085	4.1
120.08085	78.2
120.08887	6.1
121.06510	6.6
121.08466	3.1
121.10166	4.4
123.08076	4.1
123.11712	7.5
124.86273	3.1
127.07534	4.5
131.08556	4.8
133.10103	33.7
136.06178	7.3
139.74107	3.1
144.08075	11.0
151.11186	30.1
154.08403	9.4
162.09099	19.2
169.12230	30.4
177.09079	4.1
187.07614	4.9
187.13277	76.5
204.06546	6.4
205.08485	13.6
207.11266	66.6
235.10837	12.4
237.00885	3.4
253.15213	13.2
275.89371	3.3
286.21643	3.8
312.25439	6.0
316.68625	3.4
323.31732	4.0
330.26468	7.8
342.35730	3.7
348.27460	8.0
366.14081	8.3
366.23557	56.9
366.28427	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	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05504	6.1
56.05017	4.3
57.07055	1.2
60.04520	100.0
61.04862	1.4
67.05496	12.7
68.05032	1.5
69.03419	2.1
69.07053	3.7
70.06583	1.4
71.04973	2.7
72.04502	2.7
72.08138	1.7
72.73755	0.9
74.06065	3.0
79.05495	9.6
80.05002	2.0
81.03386	1.2
81.07044	18.5
82.06566	2.0
83.04950	1.8
83.08587	1.3
85.02882	3.7
85.06525	3.2
86.06073	1.3
86.09670	1.4
90.05516	1.3
91.05477	8.6
93.07033	13.6
95.04925	2.8
95.08595	12.4
96.04460	1.0
96.08121	0.9
97.06513	1.8
99.04433	1.1
99.08085	1.2
101.77084	0.9
102.05505	2.8
105.06999	6.0
107.08580	9.9
109.06453	1.5
109.10164	6.8
111.08087	1.3
112.05058	1.8
116.07060	2.0
117.06999	2.6
119.08556	4.9
120.08067	2.8
121.02833	2.3
121.06467	1.2
121.10122	8.6
123.11672	3.2
131.08534	2.9
133.10121	4.9
135.11684	3.3
136.06146	1.9
136.07552	1.8
137.05998	1.4
143.08571	1.1
145.10118	1.3
147.11681	3.3
149.13223	1.9
151.11148	2.8
159.11629	1.5
160.05127	0.9
161.05733	1.1
161.13220	2.7
163.03873	2.1
175.07491	2.7
175.14798	1.2
176.07860	3.5
187.09630	2.8
203.06984	7.9
204.07364	16.0
205.04916	2.3
217.19414	1.6
264.23035	1.0
276.23184	3.5
283.05927	2.1
294.24243	6.3
296.06418	1.0
312.25247	11.0
330.26334	26.8
348.27399	34.3
349.27679	1.3
366.12363	5.9
366.28433	57.7
367.08163	2.2
367.13440	6.9
367.17343	3.7
367.28906	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.1
57.03431	7.7
65.32121	4.5
67.05493	27.5
69.03432	8.5
69.07071	6.6
69.23593	9.6
69.23993	16.6
71.04989	42.2
72.08138	4.3
79.05496	13.6
81.07047	29.5
83.04988	4.9
85.02898	27.3
85.06535	46.3
91.05467	30.0
93.07039	16.5
95.04947	4.9
95.08617	5.5
98.22649	8.0
102.40148	4.0
105.07023	25.4
107.08578	20.1
109.06517	7.0
109.10134	37.1
119.08599	4.4
121.10154	6.1
125.09557	5.2
133.10100	53.6
137.05948	4.9
148.05867	4.4
151.11159	55.4
152.11526	5.5
162.09126	4.9
162.81340	4.2
167.10774	4.8
169.12228	100.0
187.05046	17.3
187.07663	4.6
187.13278	10.9
215.08154	32.7
222.92924	4.4
366.22586	13.7
367.14133	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	366.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09040	0.7
53.03936	1.4
55.01857	0.8
55.05504	29.2
57.07063	4.7
59.21923	0.8
60.08163	3.9
65.03918	2.6
67.05494	80.0
68.05811	1.2
69.07056	36.7
69.19538	4.6
71.04970	2.5
71.08620	3.6
73.02907	3.1
79.05480	18.9
81.07043	72.6
82.07382	2.2
83.04974	1.4
83.08607	13.5
85.06546	1.8
86.09686	1.4
91.05466	7.2
93.07028	13.3
95.04924	1.3
95.08588	53.5
95.91876	0.8
96.08933	1.6
97.06523	2.7
97.10135	3.9
99.04422	4.7
99.08072	2.8
99.69251	0.8
105.07027	4.4
107.08582	9.1
109.06516	3.0
109.10138	16.3
111.08053	1.6
113.05963	0.7
119.08554	4.7
121.10123	5.7
123.08062	5.3
123.11687	5.3
123.55050	0.9
127.07561	1.5
131.08551	1.7
133.10121	3.5
135.08052	1.9
135.11685	3.1
137.09676	1.2
137.13249	3.4
145.10086	1.9
147.11661	3.1
147.48708	0.8
149.09572	0.9
149.13222	2.1
151.14804	1.9
159.11699	1.1
161.13254	1.3
163.11223	1.0
165.12772	1.4
173.13184	1.5
179.14262	3.8
209.21808	0.9
220.16890	0.9
251.20024	1.2
293.21133	2.0
293.28253	0.9
302.67136	0.8
303.26535	1.1
307.26251	99.2
308.26642	6.3
321.27911	0.8
331.26132	4.8
348.26169	1.2
349.27271	12.2
366.33603	100.0
367.24512	3.8
367.33871	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	367.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16660	0.4
54.39621	0.5
55.01855	0.6
55.05516	0.8
56.19432	0.4
56.96563	1.2
69.03420	1.1
71.05005	0.5
72.08170	0.9
80.45108	0.5
85.02885	0.8
86.09711	0.5
88.48957	0.4
97.02893	0.8
98.97559	0.9
107.08556	0.6
116.98672	0.7
120.08135	0.5
123.04490	0.5
136.06190	1.7
136.78320	0.5
137.05956	2.4
151.11142	0.9
151.73454	0.5
153.09241	0.9
165.05452	0.9
171.05521	0.8
177.09084	1.1
181.05055	0.5
185.04198	1.2
205.04803	1.1
206.07930	0.7
219.01863	0.6
223.02762	1.5
223.04565	2.0
237.02982	0.5
241.03865	2.0
301.05289	0.6
349.07669	1.3
367.10037	100.0
368.10208	6.4
385.09332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79689	6.9
69.42417	30.7
69.42808	16.9
71.04330	7.3
74.06062	9.3
82.48534	6.5
82.49035	7.9
90.05539	8.3
95.19680	7.8
98.23456	18.5
109.17911	8.2
179.92197	7.9
182.45992	10.1
367.10095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80936	3.0
56.96564	19.6
58.14383	3.2
70.11620	3.9
70.11924	5.4
84.96025	6.1
85.02872	3.8
97.02886	3.3
98.97559	22.0
109.22360	3.0
110.97536	8.3
116.98597	11.9
119.00168	3.5
119.01924	8.0
128.98592	9.3
131.01929	3.7
134.99637	4.0
143.00188	3.3
145.03371	4.2
146.99590	8.8
155.01857	4.1
157.03529	3.6
158.99641	4.8
161.01198	4.1
165.00667	4.2
170.99583	6.0
173.02928	5.6
177.00703	5.8
201.00691	6.1
205.00182	3.4
206.04391	3.2
209.36401	3.2
219.01767	7.5
233.03450	3.5
237.02773	8.6
250.92081	17.8
251.04346	26.7
261.04584	3.7
269.05399	10.8
300.59531	3.3
307.08575	8.0
349.04169	7.0
367.05402	6.1
367.10022	100.0
368.10382	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	367.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.8
60.59679	0.4
69.18084	0.4
69.27357	2.7
70.06575	0.7
72.08161	0.9
85.02895	0.5
98.23378	0.9
108.04430	0.6
109.02845	0.5
110.07146	1.4
115.03909	0.9
120.08076	0.6
134.05942	0.9
137.05885	0.6
147.04440	0.7
166.39957	0.5
177.79240	0.5
178.08446	0.5
185.04124	0.5
187.03700	1.4
189.05162	0.6
205.04715	1.0
218.08902	0.7
292.11801	1.0
367.09964	100.0
368.10278	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	367.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20644	0.3
60.81839	0.3
62.05720	0.3
67.33752	0.3
69.99872	1.1
72.08142	0.4
78.16843	0.4
101.85138	0.4
115.48257	0.3
119.04903	0.4
136.07541	0.4
147.04396	1.7
184.41669	0.3
187.03662	1.2
189.05211	0.7
205.04697	1.0
210.78339	0.3
367.09964	100.0
368.10266	6.8
368.14453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1149
Annotation	Derrubone
Peak:m/z	Relative Intensity
69.77927	1.2
81.07050	0.6
105.07056	0.5
137.93887	0.3
202.37556	0.4
210.64006	0.3
229.19603	0.4
275.20148	0.6
313.95285	0.4
328.92157	0.3
340.58734	0.4
367.11484	100.0
368.11755	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	367.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80912	5.9
61.41540	5.6
66.38608	6.3
74.79801	6.1
92.94516	5.6
118.00510	5.3
176.03381	5.7
367.15152	54.0
367.24506	100.0
368.15451	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	367.136
Annotation	(+)-Trehazolin
Peak:m/z	Relative Intensity
53.88681	0.6
65.96581	0.6
85.82282	0.7
91.05419	0.7
107.08560	0.7
133.02831	2.5
137.05978	1.4
159.08138	1.0
163.03819	1.0
165.05557	0.9
185.04181	25.2
185.05846	1.2
205.08328	100.0
206.08673	2.2
283.05957	2.7
367.13535	60.1
368.14066	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88681	0.6
65.96581	0.6
85.82282	0.7
91.05419	0.7
107.08560	0.7
133.02831	2.5
137.05978	1.4
159.08138	1.0
163.03819	1.0
165.05557	0.9
185.04181	25.2
185.05846	1.2
205.08328	100.0
206.08673	2.2
283.05957	2.7
367.13535	60.1
368.14066	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1513
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
58.41634	0.3
58.56904	0.3
60.40999	0.4
67.05495	0.4
71.85506	0.4
78.32225	0.3
79.05490	0.4
90.11161	0.4
105.26609	0.4
118.20236	0.3
130.09404	0.3
203.21217	0.4
209.33096	0.3
275.19922	0.7
335.09021	0.7
349.14124	0.4
367.15118	100.0
368.15439	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	367.1511
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
56.70194	0.4
71.25217	0.5
132.37421	0.4
244.02205	0.4
244.73132	0.4
266.03339	0.5
296.81018	0.4
349.13959	3.3
367.15109	100.0
368.15448	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1512
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
60.92295	0.5
70.62901	0.6
86.93620	0.4
98.37846	0.4
108.16254	0.5
367.15118	100.0
368.15463	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	367.1514
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
54.79093	0.6
56.30806	0.7
71.43804	0.6
79.05505	0.7
85.42745	0.6
95.04979	0.7
95.83803	0.6
227.03120	1.4
228.03934	0.8
240.15158	0.7
275.19946	0.9
303.89310	0.7
363.03067	0.6
367.15118	100.0
368.15421	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	367.1726
Annotation	His Pro Asn
Peak:m/z	Relative Intensity
55.01857	0.9
55.05490	2.0
57.03421	0.8
57.07064	1.0
58.06578	0.5
59.04996	1.6
64.00293	0.4
65.03924	0.7
67.01039	0.4
67.05494	4.0
69.03410	0.6
69.07064	2.4
69.64372	1.2
69.64725	0.8
70.06564	1.6
71.04979	0.5
79.05481	2.8
81.03395	0.5
81.07043	5.1
83.04975	0.8
83.08627	1.1
84.08092	0.4
88.07596	1.2
91.05482	2.4
93.07027	2.5
95.04976	1.0
95.08579	2.9
97.06516	0.8
98.22723	0.7
102.09177	1.1
105.07014	2.6
107.04909	0.5
107.08569	2.4
109.06496	0.8
109.10149	1.3
117.06981	0.8
119.08552	2.2
120.08918	0.5
121.10158	0.9
123.08059	0.7
123.11665	0.6
131.08490	1.0
133.10120	2.1
135.08110	0.6
135.11641	0.7
137.05934	0.8
138.62758	0.5
145.10049	0.9
147.11684	1.4
149.02318	7.2
149.09621	1.0
150.02672	3.6
155.03085	0.5
159.11638	0.6
173.13229	0.9
175.14795	0.9
183.11676	0.5
190.07616	0.5
193.04938	7.2
194.05286	6.8
200.20070	2.3
201.20401	4.5
210.66197	0.5
237.10457	0.4
246.60194	0.4
257.19141	0.8
275.19983	2.4
279.15897	0.6
322.10605	1.1
338.10153	1.0
349.19711	1.4
349.23715	0.5
367.17184	100.0
367.21445	9.3
368.18234	4.8
392.97949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1881
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
51.24316	1.9
54.24529	1.7
55.05492	2.7
56.96318	2.3
56.96561	26.1
58.31936	1.9
58.32246	2.1
58.74298	1.7
59.91367	1.8
67.05498	2.3
69.07040	2.8
79.05470	5.6
81.07038	8.8
91.05470	2.1
93.07048	2.4
95.08624	2.6
105.07021	2.4
121.10114	2.8
123.71699	1.8
128.98593	3.5
137.02679	2.5
146.99741	3.8
183.01604	1.7
193.05005	3.2
199.06448	4.3
205.05028	2.5
211.05779	3.8
213.07976	8.9
217.07510	2.3
222.00098	2.3
225.07913	3.9
229.07076	6.9
231.09048	10.4
233.38225	2.2
237.07893	2.3
239.09418	2.6
241.11081	4.8
243.09207	6.4
247.08502	3.1
251.09489	5.7
255.09041	5.9
257.10559	3.3
259.12262	5.6
266.35651	2.1
269.10535	27.7
273.10126	3.7
279.08963	2.9
287.11624	12.2
292.07285	2.1
297.10159	3.2
309.13107	7.3
331.15863	7.2
335.09235	2.8
337.16177	3.5
345.86783	2.5
349.16876	14.5
367.11853	12.3
367.17816	100.0
368.18124	5.7
385.18933	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	367.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91588	8.4
55.05498	18.9
56.96559	35.7
57.03412	14.8
60.28715	7.1
62.95266	7.6
67.05490	36.5
67.19436	6.8
69.07060	19.2
76.63761	7.4
79.05483	38.1
81.03402	8.7
81.07029	46.5
91.05451	31.1
91.96949	8.5
93.07014	29.6
95.04962	15.2
95.08571	33.1
97.06539	12.0
105.07014	33.7
107.04903	13.2
107.08563	17.6
109.06485	7.3
109.10155	12.9
114.94397	7.8
117.07002	11.0
119.08549	15.4
121.10149	10.9
121.82243	7.3
131.08585	12.5
133.10129	18.2
145.10078	10.8
149.09532	11.4
149.13081	7.8
182.72948	7.6
205.14423	7.3
211.06123	8.5
213.07892	13.1
231.08997	17.0
255.08994	28.1
269.10522	31.3
273.10172	13.2
275.20035	32.2
287.11542	14.7
331.15781	10.1
338.10403	8.8
349.16614	17.1
349.23471	9.5
367.13052	13.1
367.17523	100.0
367.24588	12.2
368.14594	43.5
385.18930	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.6
56.96553	30.3
57.03436	11.1
59.04988	7.7
61.37080	6.4
67.05493	30.3
69.07059	13.6
69.27171	35.1
75.23139	7.8
79.05500	36.1
81.03369	6.5
81.07045	33.3
83.04933	7.7
86.78262	6.8
91.05459	21.8
93.07000	34.4
95.08586	18.7
97.06509	12.1
97.10168	7.6
98.22755	13.3
105.07065	31.5
107.04933	12.0
107.08555	16.0
109.06528	11.2
109.10123	16.0
117.07027	8.7
119.08595	16.3
121.10094	11.8
121.38754	7.1
131.08516	9.4
133.10115	15.0
143.90482	6.6
145.10117	17.2
147.11699	13.9
149.09631	8.2
163.93793	6.6
173.11736	8.4
191.09468	6.5
199.06381	10.3
210.19200	7.6
213.08003	12.5
217.07455	10.8
231.09000	13.9
243.08943	10.7
255.09023	30.6
257.10571	14.9
269.10507	29.3
273.10117	19.5
275.20074	48.7
287.11496	11.7
349.16748	20.8
349.23636	10.4
356.04892	7.1
367.17938	100.0
367.24640	16.1
368.14752	13.4
385.18823	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	367.2457
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
55.05494	0.7
62.01632	0.5
64.81798	0.5
67.05496	1.3
69.07031	0.8
69.41113	2.9
72.04181	0.6
81.07054	1.5
88.43565	0.7
91.05473	0.9
93.07030	1.0
95.08598	1.0
98.23415	1.3
107.08514	0.8
109.10170	0.8
246.41072	0.6
263.84756	0.6
367.14877	2.3
367.24533	100.0
368.24875	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	367.2467
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03921	5.2
54.72154	3.6
55.01860	6.0
55.05493	10.3
57.03403	6.3
67.05496	18.6
69.07077	9.2
71.38080	3.6
72.94122	3.5
79.05473	20.6
81.07049	28.3
83.04940	4.4
83.08614	5.8
87.29130	4.1
91.05477	16.2
93.07026	13.7
95.04972	5.1
95.08601	19.0
97.06495	4.9
105.07026	16.1
107.08578	12.2
109.06493	8.0
109.10122	5.3
112.68066	3.6
117.07004	4.3
119.08575	11.4
121.06431	5.3
121.10170	5.4
131.08545	7.2
133.02811	7.7
133.10095	11.0
135.08029	4.2
147.11653	8.4
151.11197	5.5
158.88251	3.6
159.11665	4.3
189.44402	3.9
190.77203	4.1
195.13570	4.0
219.17484	6.3
223.46953	3.5
275.20016	16.8
285.52539	3.7
293.21277	5.1
321.09875	3.9
322.10748	4.7
349.23480	4.6
367.24487	100.0
368.14944	10.0
368.24844	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21015	0.9
53.03959	1.0
55.01849	4.8
55.05504	12.8
55.60810	0.8
57.03425	7.1
57.07067	1.2
59.04975	1.0
61.24205	0.8
65.03950	1.0
67.05493	24.9
69.03420	2.5
69.07056	15.2
71.04984	2.1
71.23885	1.2
78.09999	1.0
79.05474	20.2
81.03439	0.9
81.07043	28.4
83.04963	6.9
83.08582	4.8
85.06522	2.4
91.05464	21.1
92.05760	0.9
93.07027	25.2
94.07363	1.0
95.04942	9.9
95.08586	18.7
96.08942	1.1
97.06517	5.1
97.10145	2.0
99.08081	0.9
103.05450	1.1
105.03371	2.9
105.04499	1.7
105.07011	25.6
105.07717	1.3
106.07303	0.9
107.04945	6.6
107.08571	16.6
108.08859	0.9
109.06500	11.0
109.10149	7.5
111.08074	1.4
113.05995	2.5
117.06985	8.5
119.08552	16.9
121.06479	10.0
121.10129	7.7
123.08052	4.9
123.11697	3.1
124.14602	0.8
125.09568	1.0
129.06996	2.7
130.06528	1.8
131.08546	18.5
132.08873	1.3
133.02827	36.4
133.06493	2.1
133.10100	16.9
133.11012	1.3
135.08031	4.5
135.11673	6.1
137.05945	1.5
137.09598	2.9
141.07010	1.5
143.08542	3.4
145.06476	1.3
145.10101	15.1
147.08023	3.9
147.11658	11.9
149.09608	6.6
149.13237	2.0
151.11179	3.8
155.08517	2.6
157.10118	5.1
158.06042	1.4
159.08017	1.9
159.11646	8.1
159.68718	0.8
161.09612	3.1
161.13242	2.4
163.11168	5.6
165.05461	9.9
165.12724	1.8
167.69353	0.8
168.09360	0.9
169.10092	1.6
171.11716	3.2
173.09622	2.9
173.13225	4.8
175.11151	3.4
177.12738	2.5
183.11685	3.0
185.13179	1.2
186.05473	13.1
186.07022	1.2
187.11182	1.6
187.14842	1.2
191.14278	2.6
197.13306	1.9
201.12706	2.9
203.14442	1.2
207.13815	2.1
213.16412	1.0
215.17889	2.0
219.13866	3.1
219.17415	2.4
229.19453	2.1
231.17487	1.4
233.15381	1.0
233.18944	1.2
239.17932	3.2
247.20551	5.1
257.18948	15.8
258.19275	1.1
275.20010	100.0
276.20370	7.6
293.20987	8.8
294.21448	1.0
349.23669	30.4
350.10141	1.0
350.24042	2.3
352.22397	1.0
367.24619	24.5
368.14630	1.6
368.25049	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01866	7.4
55.05504	41.8
57.03427	13.3
57.07064	3.0
59.44501	1.0
67.05495	37.4
68.74966	0.9
69.03417	2.9
69.07057	11.2
69.11656	5.3
71.04987	2.0
71.08621	46.2
79.05482	30.2
81.03416	6.7
81.07047	31.7
82.07400	1.4
83.04983	7.3
83.08608	13.2
85.06532	1.8
86.89490	0.9
91.05463	12.2
93.07036	16.1
95.04956	9.1
95.08593	15.1
97.06563	2.2
97.10153	24.4
98.22713	2.4
99.08080	34.5
101.21525	0.9
105.07011	11.3
107.04943	3.7
107.08576	15.9
108.08895	1.1
108.79505	1.1
109.06525	4.2
109.10148	9.6
111.08102	3.0
117.07030	5.4
119.08569	6.4
121.06487	3.5
121.10145	4.3
123.08060	1.6
123.11737	1.1
125.09617	25.5
127.11173	1.2
129.07004	1.4
131.08565	3.6
133.10129	6.8
135.08029	5.3
135.11720	2.9
137.09544	1.5
139.11168	3.4
143.10667	1.6
145.10138	3.5
147.11679	2.5
149.09630	1.5
149.13249	4.3
151.11198	3.3
153.09052	1.8
153.12788	1.4
157.10100	1.4
159.11684	3.7
161.09543	1.4
163.11174	1.8
165.12764	4.1
167.10654	1.2
167.14226	1.2
171.10197	1.7
173.13348	1.4
174.74005	1.0
177.12801	3.4
179.10732	2.1
189.11169	15.8
189.12589	1.4
193.12239	1.8
195.13776	2.0
213.50723	1.0
247.20595	2.1
257.19095	2.0
265.21399	1.3
267.15909	1.5
275.19968	14.9
277.92963	1.0
293.21051	100.0
294.21359	7.4
367.24762	22.9
368.24802	1.7
368.25824	1.8
368.31274	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01851	13.0
55.05507	27.4
57.03426	17.7
57.25825	2.5
67.05155	4.6
67.05493	63.6
69.03403	6.4
69.07056	28.8
71.04983	4.7
71.84441	2.5
79.05485	55.7
81.03424	5.6
81.07044	100.0
82.07359	3.1
83.04964	12.2
83.08608	16.0
85.06523	5.3
91.05466	51.7
93.07023	45.5
95.04935	11.8
95.08586	39.0
97.06493	17.1
97.10149	7.0
99.08066	3.0
105.07014	59.1
107.04924	14.6
107.08568	32.4
109.06494	18.6
109.10181	21.9
111.08054	5.5
117.06998	14.3
119.08552	38.5
121.06460	6.9
121.10128	20.6
123.08040	11.2
123.11677	6.9
125.09646	3.8
129.06981	4.6
131.08511	18.3
132.93532	2.9
133.10110	29.1
135.08034	10.9
135.11691	13.3
137.09555	7.1
143.08559	5.0
145.10060	23.1
147.11639	26.9
149.09561	19.0
149.13214	7.9
151.11165	4.8
155.08623	3.6
157.10077	7.3
159.11676	14.2
161.13203	5.0
163.11165	11.8
165.12720	6.5
171.11652	5.4
173.13252	5.3
177.12686	4.6
239.17795	5.7
247.20561	9.2
257.18964	9.6
259.02292	2.9
269.17346	5.2
275.20050	69.3
276.20319	3.6
293.21112	10.2
349.23706	19.9
367.24597	57.9
368.14838	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	14.3
55.05503	57.7
57.03419	8.9
59.04999	7.1
67.05495	62.2
69.07053	20.5
69.96990	11.4
70.60875	6.0
77.05798	5.9
79.05479	100.0
81.07043	49.1
83.04976	21.8
83.08611	25.5
91.05458	32.4
93.07027	50.2
95.04951	13.0
95.08586	23.5
97.06537	8.5
97.10176	23.1
97.81994	5.8
98.08585	6.2
102.28169	7.2
105.07007	50.4
106.78866	5.5
107.04933	35.2
107.08574	67.6
109.10166	28.5
117.07011	18.0
119.08542	43.7
121.10148	25.1
123.11707	16.3
125.09598	31.2
131.08531	21.1
133.10136	30.8
145.10068	18.0
147.11728	19.0
149.09583	83.9
159.11664	9.2
173.13274	7.5
189.11208	24.4
190.72455	5.9
212.99922	5.8
227.12878	16.4
229.19518	8.2
245.13707	8.9
257.19064	16.2
275.19962	79.2
276.20187	6.5
349.23560	44.5
368.14716	18.7
368.31277	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79183	1.2
55.01855	5.5
55.05504	19.7
56.37664	1.3
57.03424	7.8
57.07062	2.1
59.04978	3.0
65.03899	1.3
67.05495	15.6
69.03411	3.1
69.07055	25.0
71.04985	1.6
71.08618	26.6
71.34394	1.3
79.05469	11.9
81.03379	1.7
81.07043	13.4
83.04960	5.8
83.08595	6.6
91.05466	8.2
93.07024	12.0
95.04955	5.8
95.08595	8.5
97.06530	2.5
97.10154	9.4
99.08071	20.2
105.06980	6.6
107.04923	2.6
107.08588	9.6
109.06491	2.2
109.10131	7.0
117.06992	2.4
119.08530	4.5
119.81741	1.1
121.06502	4.2
121.10103	4.2
123.08046	1.5
125.09592	4.3
131.08549	2.3
133.10078	4.0
135.08026	2.6
135.11693	2.5
137.09589	1.3
139.11180	2.0
145.10118	3.3
147.11647	2.2
149.09502	1.6
149.13239	2.6
151.11229	2.1
157.10114	3.0
159.11684	2.4
163.11157	1.7
165.12740	2.1
167.10632	3.9
177.12653	4.1
179.08510	1.2
189.11157	4.6
195.11769	1.8
195.76268	1.1
215.19537	1.2
219.17337	1.7
242.17784	1.4
247.20609	1.6
265.21472	1.5
275.20044	8.5
293.21048	100.0
294.21396	5.5
322.10580	1.5
338.10013	2.7
367.13150	1.5
367.24832	23.6
368.14801	6.7
368.31262	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	367.2476
Annotation	Betaenone A
Peak:m/z	Relative Intensity
55.01870	4.3
55.05505	11.8
57.03428	3.1
57.07050	1.3
65.03899	1.2
67.05154	1.7
67.05496	22.0
69.03416	2.9
69.07066	15.8
69.84809	2.0
69.85126	0.9
71.04987	2.3
71.08617	1.4
79.05484	19.5
81.06564	1.3
81.07046	26.3
83.04984	7.1
83.08601	3.6
85.06552	1.0
91.05470	21.8
93.07032	26.7
95.04956	6.9
95.08591	16.1
96.63805	0.9
97.06516	4.0
97.10155	1.5
99.08081	1.4
103.05447	1.1
105.07016	27.0
107.04953	7.9
107.08575	15.9
109.06503	9.8
109.10136	7.4
111.08054	1.0
117.07001	8.0
119.08569	14.0
121.06499	12.1
121.10128	9.0
123.07997	4.8
123.11697	2.1
125.09644	1.2
129.06961	2.0
131.08560	15.9
133.06509	4.4
133.10106	15.4
135.08032	5.0
135.11670	3.8
137.09619	2.3
141.06976	0.9
143.08540	2.3
145.06432	1.8
145.10106	15.4
147.08015	3.9
147.11670	10.7
149.09596	5.9
149.13222	3.6
151.11185	5.9
155.08566	2.2
157.10071	4.2
159.08002	2.1
159.11641	8.3
161.09601	3.7
161.13231	2.1
163.11177	6.2
163.14830	1.1
165.12685	1.0
169.10126	1.0
171.11656	2.7
173.09602	2.6
173.13240	6.2
175.11195	1.4
177.12718	2.7
183.11665	2.5
185.13239	1.4
187.11096	2.6
189.12653	1.5
191.14259	2.5
197.13200	1.7
201.12698	2.9
205.19493	0.9
207.13789	1.9
215.14191	1.0
215.17960	2.1
219.13736	2.8
221.15382	1.1
229.19568	2.1
231.17346	1.0
239.17937	3.7
247.20505	3.9
257.18976	13.6
275.20029	100.0
276.20435	5.4
293.17841	1.3
293.20984	7.9
294.21640	1.2
349.23663	34.7
350.23929	1.9
367.24744	24.5
368.24643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08882	1.4
53.03943	1.8
55.01863	4.5
55.05508	23.8
57.03432	6.9
57.07067	3.2
67.05499	23.3
69.03419	3.4
69.07059	12.8
69.45076	7.0
71.04975	2.4
71.08628	36.3
77.08951	1.5
79.05486	17.8
81.03400	3.1
81.07056	19.7
83.04987	4.8
83.08614	9.1
88.07658	1.5
91.05473	6.9
93.07031	14.4
95.04991	5.4
95.08618	10.8
97.06560	2.5
97.10161	15.2
99.08085	25.4
105.07028	7.0
107.04966	2.0
107.08581	10.9
109.06502	2.3
109.10143	5.0
111.08070	1.6
117.07018	3.8
117.14945	1.6
119.08572	5.1
121.06522	4.5
121.10149	2.8
123.11714	2.7
125.09626	12.1
131.08586	2.5
133.10062	1.8
135.08055	2.3
135.11694	2.3
139.11154	3.2
151.11183	3.1
159.11818	2.1
167.10677	2.1
177.12738	3.5
189.11186	11.9
195.13824	1.9
205.19437	1.7
225.45056	1.5
227.30923	1.7
275.20035	14.6
276.20523	2.5
286.04349	1.7
293.21072	100.0
294.21478	6.5
349.15045	2.5
367.20776	6.9
367.24734	33.8
368.24887	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01862	2.1
55.05505	26.7
55.23806	1.6
57.07067	8.3
59.04973	3.7
64.71520	1.6
65.03928	4.4
67.05153	3.3
67.05496	46.9
69.03408	10.0
69.07059	27.3
71.04990	8.8
74.37988	1.7
77.03919	2.1
79.05477	37.8
81.07049	54.1
83.04958	4.8
83.08585	9.0
85.06528	5.6
91.05469	67.5
92.05757	1.8
92.46952	1.6
93.07033	81.4
94.07329	4.0
95.04956	42.1
95.08595	60.0
96.08912	1.9
97.06519	13.4
99.08086	2.3
103.05446	2.7
105.04479	4.2
105.07015	100.0
106.07311	3.1
107.04927	3.2
107.08582	64.7
109.06513	17.8
109.10139	44.2
111.08089	5.4
115.05466	9.6
116.06210	3.6
117.06998	23.8
119.06100	4.0
119.08563	97.9
120.08846	2.2
121.06492	8.9
121.10133	47.7
123.08052	6.5
123.11713	8.9
125.28529	2.1
128.06186	10.7
129.06996	17.8
130.07799	11.4
131.08554	59.4
133.06499	2.7
133.10107	58.9
133.11127	3.1
134.10454	3.1
135.08044	17.9
135.11678	18.9
137.09602	5.9
141.06985	5.6
142.07773	24.7
143.08540	43.5
144.09367	13.5
145.06479	2.0
145.10114	69.3
145.96117	1.8
146.07233	6.1
146.10571	2.4
147.08049	10.4
147.11653	22.1
149.09590	17.2
149.13222	4.9
153.06967	2.8
154.07736	3.4
155.08519	13.4
156.09332	17.5
157.10107	55.1
158.10875	9.2
159.08034	5.7
159.11671	37.1
161.09598	40.3
161.13228	8.1
163.11197	3.9
163.14757	2.4
165.06935	3.7
167.08513	6.2
168.09334	7.6
169.10101	22.7
170.10890	10.5
171.08006	2.3
171.11665	31.9
172.12364	3.8
172.54832	1.8
173.09610	6.5
173.13240	25.9
175.11160	8.1
175.14754	12.9
177.12788	2.5
179.08513	8.9
180.09283	3.4
181.10153	9.4
182.10840	6.2
183.11691	21.5
184.12344	5.9
185.09592	4.0
185.13246	15.7
186.13965	2.3
187.11136	3.7
187.14731	12.3
189.12669	3.7
192.28735	1.8
193.10176	4.3
194.10899	9.4
195.11681	12.2
196.12430	4.0
197.13220	17.2
198.13971	3.0
199.11205	4.5
199.14821	13.6
201.12700	4.2
201.16353	8.9
202.47887	2.0
207.11679	7.0
208.12451	3.0
209.13214	22.7
210.13934	2.1
211.14694	8.7
213.12708	5.1
213.16348	4.7
217.15921	2.2
219.11627	2.2
221.13298	4.2
222.13965	2.6
223.14815	5.4
225.16360	7.6
227.14301	12.2
227.17751	2.3
233.13213	2.6
233.99661	1.9
235.14949	2.1
237.16235	3.4
239.17908	8.4
241.19511	2.7
245.13264	2.3
246.14023	2.2
249.16420	2.4
251.17868	4.5
255.17400	5.2
257.19043	4.2
261.16602	2.1
265.19400	5.2
269.18893	4.1
293.19031	3.2
309.22076	2.6
322.10742	2.3
349.25165	6.8
367.26248	10.0
368.14981	5.5
368.42538	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	367.284
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
51.16887	2.5
55.01858	3.6
55.05498	25.0
57.07066	10.9
59.38675	2.2
67.05496	41.1
68.05825	7.3
69.07053	37.8
69.26184	14.5
70.07401	6.3
71.04974	3.2
71.08621	16.6
79.05478	15.9
81.07044	56.1
82.07378	7.7
83.04976	3.4
83.08603	14.7
85.06535	4.1
91.05468	13.0
93.07030	18.5
94.07373	2.9
95.04933	3.0
95.08590	44.1
96.08942	5.8
97.10144	4.8
99.04375	3.1
99.08066	17.4
105.07024	9.2
107.08569	20.6
109.06506	8.7
109.10134	15.1
111.04401	2.3
111.08079	3.2
119.08559	12.3
121.10107	8.3
123.08041	28.8
123.11695	8.8
125.05880	4.0
133.10120	12.7
135.08037	7.5
135.11700	4.7
137.09625	2.7
137.13206	3.8
145.10101	8.4
147.11691	4.2
149.09558	3.1
149.13188	3.7
153.12764	5.0
157.09985	4.0
161.13222	3.2
161.84232	2.4
163.11162	2.8
179.14270	33.6
189.16295	3.5
191.14241	3.2
193.15892	2.7
230.72179	2.2
251.20020	7.4
293.21011	8.2
293.28369	5.1
303.26596	16.8
307.26273	15.3
308.26584	28.1
321.27777	3.5
331.26236	42.6
338.10092	3.9
340.08606	2.4
349.27316	100.0
350.27612	6.2
354.45697	2.8
366.33505	6.4
367.28912	4.1
367.33917	40.7
368.14758	6.8
368.42093	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	368.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
57.03426	0.5
61.02903	1.0
66.07457	0.3
69.03101	0.4
69.03423	3.1
69.74358	0.2
70.51455	0.7
71.04974	0.3
73.02873	0.5
74.19109	0.3
78.06063	0.3
81.03403	1.1
85.02892	6.3
91.03933	0.3
96.24319	0.3
97.02888	2.4
109.02793	0.4
117.31758	0.4
127.03896	1.4
132.04422	8.1
145.04921	1.0
146.67503	0.3
160.03914	0.4
162.09138	0.3
178.04958	69.8
179.05348	2.2
206.04448	100.0
207.04773	3.4
216.58026	0.3
248.00078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
64.03929	0.3
69.03404	0.4
70.06581	0.8
71.06214	0.4
72.78249	0.3
78.81151	0.3
83.01324	1.2
87.04456	0.6
94.06489	0.3
95.03722	1.6
107.03677	0.9
107.08581	0.4
115.03922	2.7
119.03640	2.5
120.08138	0.4
127.66725	0.3
130.06511	0.4
133.05000	0.4
137.05962	0.5
147.03107	1.6
161.04439	4.3
162.05478	1.1
165.04214	7.3
175.02629	8.7
190.04973	100.0
191.05336	4.1
193.03690	49.7
194.04004	1.5
368.15536	0.5
369.15250	1.6
393.26404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01862	0.6
55.05501	1.2
57.03420	1.3
67.05487	2.0
68.05835	0.7
69.07057	1.4
69.58252	2.3
79.05470	1.7
81.07056	3.5
81.23880	0.6
82.07359	0.8
83.08558	0.7
91.05464	1.7
93.07027	1.9
95.04955	3.1
95.08604	1.0
97.06542	0.8
105.03382	8.5
105.04503	0.9
105.07010	2.3
107.04892	0.8
107.08575	1.2
109.06499	0.9
109.10162	0.9
113.06004	1.0
119.08565	1.3
121.10136	0.7
130.06500	5.5
131.08536	0.7
133.02834	100.0
133.10088	1.1
134.03168	2.6
137.05965	3.6
147.11650	0.7
148.11935	0.8
158.06015	2.5
159.11609	0.7
165.05452	24.0
185.04610	0.7
186.05476	31.0
187.05840	1.5
211.14880	0.6
245.06049	0.9
256.06125	1.1
273.05472	1.8
275.19998	2.1
276.20459	2.2
290.08102	1.4
318.07526	2.4
322.10516	0.7
332.09225	0.7
337.12842	0.9
350.10226	3.2
367.24475	1.5
368.14801	3.2
368.25021	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	368.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
53.57803	1.4
54.59444	1.1
55.01864	3.6
55.05510	5.0
57.03433	4.6
57.07056	2.7
61.02917	9.5
66.69476	1.2
67.05483	6.9
69.03422	17.0
69.07066	14.5
71.04964	2.2
73.02899	4.1
79.05493	3.1
81.03420	6.8
81.07050	5.4
83.08605	6.5
85.02897	100.0
87.04465	2.1
91.03944	8.4
91.05460	2.6
93.07032	3.8
95.08586	2.0
96.80316	1.3
97.02877	22.1
97.06509	1.5
98.22717	4.6
99.04445	4.7
99.08110	2.0
105.07011	1.4
107.08547	2.6
109.02890	6.6
109.10162	2.9
127.03899	22.3
137.05957	1.5
139.11209	1.3
143.14285	10.1
145.04942	37.5
147.11694	2.2
151.11145	1.6
153.05511	2.1
160.60545	1.4
163.06010	4.7
205.06396	1.7
243.16812	1.4
277.21646	2.7
305.07574	1.9
305.95407	1.4
337.10709	3.8
341.14288	1.3
345.08066	3.7
363.09372	1.9
368.15076	2.6
369.13583	3.0
369.26059	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	368.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.1
57.07070	0.9
60.14634	0.7
67.05494	2.2
69.07059	2.4
71.08615	1.7
72.04509	17.4
79.05478	2.9
81.07040	1.8
91.05479	1.1
93.07023	3.0
95.04941	0.7
95.08591	1.3
97.02882	1.9
97.06527	0.9
97.10152	1.2
99.08086	1.2
105.07036	1.4
105.67327	0.7
107.08559	1.6
111.04435	1.9
114.09167	2.2
119.08597	1.6
121.06503	1.7
121.10144	1.5
123.04399	4.3
128.10710	1.0
131.08548	2.5
139.11273	0.9
149.09625	2.4
167.10664	2.3
184.16934	11.9
202.17995	16.5
238.13397	0.6
253.14278	1.9
275.63904	0.8
280.19012	6.5
286.64319	0.6
293.21310	0.9
294.21542	3.1
345.91965	0.9
368.31311	100.0
369.31766	5.9
385.43851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74664	4.5
67.05484	6.9
70.80798	5.9
79.05504	7.8
91.05494	7.2
102.92525	4.7
107.04900	6.3
122.54533	6.2
133.54883	5.3
179.02290	4.6
227.03220	5.2
250.95360	5.8
265.08139	6.1
276.17587	5.1
277.21332	5.8
279.09903	5.1
289.08551	5.3
309.10828	6.2
337.10510	23.9
351.12445	5.4
369.12906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12355	0.4
56.96556	100.0
58.24068	0.4
64.77753	0.5
69.03428	1.2
70.06572	0.5
71.95270	0.9
72.96046	0.6
74.97620	1.2
81.03378	0.6
83.97639	1.2
85.02883	1.6
97.02888	1.4
98.97577	0.7
99.04417	0.5
102.96901	0.5
115.03912	1.4
120.08128	0.7
127.03918	0.5
130.93288	0.8
132.04457	1.3
133.04820	1.0
136.06157	1.7
144.96783	1.1
149.02727	1.0
162.97897	0.6
163.00746	0.8
165.02242	1.4
167.03777	2.0
176.03804	17.1
176.05293	0.9
177.02249	1.0
178.05321	34.3
179.05313	10.0
181.01677	1.2
183.03294	4.6
185.04813	0.6
186.02357	0.9
187.02728	0.7
189.00841	0.6
192.03329	2.0
194.04868	8.4
195.03258	0.7
195.05092	0.5
196.06424	25.4
199.02797	1.0
201.04323	5.8
204.03265	6.7
206.04466	11.6
207.04802	15.0
208.02858	3.4
208.04730	0.7
210.04384	1.8
215.03867	0.8
219.08099	0.5
222.04341	56.3
223.04631	1.5
226.03857	2.5
228.96953	2.9
234.39043	0.5
240.05391	52.6
241.05727	1.4
245.05933	0.5
246.98033	3.5
288.99084	1.5
293.11716	0.5
299.01080	0.5
300.99030	1.2
324.08942	1.2
327.00543	8.9
327.09439	0.5
345.01709	2.6
346.01837	0.6
351.10059	4.7
369.01764	5.0
369.11145	40.9
370.11411	2.6
373.20370	0.6
387.02731	1.3
387.12140	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	369.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49888	0.8
69.53226	2.6
69.53604	1.5
70.06582	1.2
71.46034	0.7
73.82909	0.7
75.23478	0.7
85.02889	0.9
102.94981	0.9
111.93472	0.7
147.92238	0.7
152.07076	1.2
175.05078	0.8
185.04198	5.3
185.11345	0.8
191.03024	0.7
206.05472	5.3
207.06241	12.8
234.98911	1.2
286.37418	0.8
369.11530	100.0
370.11786	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	369.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97363	0.4
69.03409	0.7
69.16328	0.4
70.06607	0.4
71.04975	1.5
83.04992	0.7
85.02876	0.7
88.52119	0.3
95.04940	0.6
105.07033	0.5
127.07516	0.9
133.02821	0.7
145.08583	4.3
147.73363	0.4
151.03824	0.4
161.02327	0.6
167.91595	0.4
177.05501	0.4
179.03381	3.1
186.21043	0.4
189.05215	1.0
191.09190	0.5
200.61000	0.5
203.05246	6.3
263.62430	0.4
369.11502	100.0
370.11774	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	369.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80645	0.9
54.15065	1.1
67.85525	1.0
69.65662	3.5
83.03659	1.0
83.42990	1.1
98.23486	1.2
116.80362	1.0
127.94193	0.9
163.07301	1.1
212.00809	1.5
214.02455	6.2
269.07736	1.5
271.05792	2.1
293.07785	4.1
297.07312	2.9
311.08762	1.4
317.44791	1.2
334.11639	1.5
336.09659	2.2
337.10413	100.0
338.10751	5.8
351.12115	6.8
352.12708	7.2
369.13208	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	369.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20377	4.3
70.08624	11.2
72.89418	4.5
93.06992	4.6
98.22768	5.9
128.34201	4.5
212.00826	9.3
214.02347	49.4
225.01572	22.3
227.03073	9.1
231.52180	5.4
267.06207	7.8
270.04901	5.9
281.07916	15.1
282.08569	100.0
283.09091	7.6
311.08813	21.2
314.07547	50.8
337.10376	31.4
345.52789	5.0
351.11981	43.6
352.12549	6.2
369.12170	56.5
369.16260	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44360	2.3
55.01857	2.7
55.05489	3.0
65.03928	13.4
67.05482	6.4
69.03411	5.1
69.23887	12.7
71.04961	3.6
78.20210	2.4
78.20723	2.4
78.46700	2.0
79.05443	3.4
79.45970	2.0
79.99899	2.2
81.03394	10.3
81.07046	2.6
82.04166	3.8
85.02859	3.7
85.06529	2.9
88.74421	2.0
91.05464	13.3
93.03356	4.1
93.07017	4.9
95.04960	6.7
95.08588	5.0
99.04473	2.7
105.06984	10.2
107.04928	6.0
107.08585	3.3
109.10112	3.5
110.03665	12.4
111.04450	17.5
115.05460	3.3
119.04888	9.5
119.08515	6.2
121.10108	2.9
123.04414	2.8
123.08101	2.6
125.05984	12.2
129.06976	3.2
131.04893	3.2
133.06406	3.4
135.04324	2.5
135.11649	2.2
137.05933	9.1
145.06430	4.5
145.10002	3.7
146.03566	2.6
147.04369	10.4
149.05971	2.9
153.05446	49.1
159.08057	5.4
161.05899	5.1
161.09592	3.9
162.15897	2.0
163.03867	3.4
165.06934	5.2
167.07001	3.9
170.07164	2.3
171.04361	2.7
175.03949	13.9
175.07460	6.9
177.05472	2.6
177.06931	3.6
178.07683	3.6
179.08464	3.6
181.05055	2.5
181.06502	2.8
185.05942	8.9
186.06740	3.3
187.07544	2.7
189.05408	3.8
189.06966	5.9
190.07683	5.2
191.08571	6.7
194.07285	2.9
198.06662	5.3
199.07509	16.4
201.05417	5.3
203.08482	4.3
205.04820	6.1
205.06480	7.0
206.07133	4.9
207.06438	24.1
207.08086	4.5
207.09779	3.1
208.08740	3.9
214.06145	2.3
216.07755	13.7
218.07199	9.0
219.08058	17.1
220.08727	9.3
221.05927	5.2
222.06689	3.5
223.07350	4.1
229.08582	11.7
231.08121	4.4
233.05801	2.5
234.06683	6.6
235.07454	13.9
236.08246	9.5
237.08942	5.9
245.05801	3.6
247.07480	8.6
248.08293	9.3
249.05557	3.4
249.09021	9.3
250.06285	3.1
250.09883	2.8
251.06941	9.4
251.10635	16.9
252.07542	3.3
253.08549	4.4
259.07538	3.6
261.05487	3.2
261.09018	5.4
262.06143	5.6
263.06952	8.8
263.10648	2.4
264.07748	24.4
265.08514	13.8
266.09311	5.4
275.06866	7.0
276.07721	9.4
277.08603	10.7
278.09238	6.4
279.07022	2.1
279.10077	13.8
281.11630	2.8
283.09613	8.2
291.06320	2.8
291.09973	3.2
292.07184	4.3
293.07947	9.3
293.11328	3.8
294.08679	9.2
295.09390	6.2
297.07275	4.0
305.07932	3.4
306.08746	3.2
307.06256	4.7
307.09570	38.4
308.10107	6.3
309.11069	13.0
311.09201	4.9
311.12686	19.8
319.09473	3.4
322.08212	2.9
323.08783	3.9
324.09875	3.4
336.09653	2.9
337.10574	35.5
338.11224	5.3
339.12198	31.1
340.12631	4.1
341.13797	10.7
351.11963	5.1
369.13040	100.0
369.22293	7.1
370.13449	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	369.133
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
52.84223	6.2
65.03937	24.0
67.05504	11.3
69.07056	10.2
69.16109	42.4
79.05479	10.8
81.07063	6.9
82.04201	13.4
91.05478	15.8
92.08778	6.6
93.03389	18.9
95.01302	6.6
95.04973	16.1
95.08599	9.8
98.11879	7.3
98.23483	14.2
105.06982	9.8
109.06489	7.8
110.03645	26.7
111.04430	28.0
113.30928	7.2
119.08537	7.7
121.10114	6.5
125.05981	25.0
128.06232	11.7
133.10114	9.6
137.05957	8.8
145.10086	8.4
151.77695	6.4
153.05437	99.4
155.04793	8.3
159.08051	22.4
165.06944	8.3
175.07567	22.8
178.07758	15.3
179.08534	7.3
185.05995	22.2
186.06798	8.5
189.07040	12.5
191.08522	13.3
198.06686	10.1
199.07477	74.8
200.07916	6.6
202.07793	8.9
205.06461	10.0
207.08122	12.9
208.05229	7.2
208.08598	6.7
216.07773	31.8
218.07248	14.5
219.08008	40.1
220.08826	23.0
221.06033	17.6
221.09563	7.9
222.06689	10.1
223.07492	11.4
229.08582	23.6
235.07526	21.1
236.08331	24.8
237.08974	10.1
238.06192	10.9
246.06781	8.4
247.07437	32.7
248.08334	11.3
249.05536	9.1
249.09048	12.0
251.07050	13.5
251.10669	34.7
261.09134	8.3
262.06113	7.2
263.06863	14.6
264.07819	55.4
265.08530	23.4
266.09360	8.9
275.07001	15.7
276.07690	15.8
277.08707	25.2
278.09265	9.8
279.06821	7.8
279.10129	22.1
281.08163	9.7
281.11627	9.4
283.09708	12.1
290.09525	7.0
293.08044	16.5
294.08862	15.0
307.09598	100.0
308.10184	24.5
309.11185	21.5
311.12701	39.8
315.08566	17.4
319.09619	18.0
322.08197	7.9
323.09155	9.9
324.10019	9.7
327.79114	7.2
337.10577	45.2
339.12231	80.8
341.13815	23.1
351.12393	15.8
352.12485	7.0
369.13300	68.2
369.27451	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	369.133
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
58.37278	4.0
59.45338	3.9
65.03928	47.6
66.50860	4.2
67.05492	8.4
69.71449	6.1
69.71790	13.6
82.04173	8.0
85.02867	6.9
91.05460	8.9
93.03394	15.1
95.01324	7.0
95.04937	9.8
100.11226	11.2
108.02123	7.2
109.90665	4.2
110.03635	28.5
111.04431	27.3
119.04917	5.7
125.06005	36.4
128.06204	6.6
141.06970	4.5
145.06433	10.1
153.05449	100.0
159.08064	8.3
161.06023	4.7
165.07019	5.3
168.10178	5.8
171.04369	7.0
175.07565	12.3
178.07787	9.4
179.08479	7.3
181.52715	4.6
184.05124	8.6
185.05948	16.9
186.06723	9.4
189.06932	12.0
190.07729	10.1
191.08577	7.8
194.07338	5.9
195.08012	5.9
198.06679	7.1
199.07498	63.1
201.05472	5.6
202.07681	5.9
203.08517	7.6
205.06419	7.8
206.07297	7.5
207.06374	7.2
207.08066	13.5
208.08780	12.1
209.05925	5.5
210.46574	4.8
214.06256	6.1
216.07819	44.4
218.07243	15.1
219.08000	30.7
220.08684	17.7
221.05928	13.0
221.09518	8.9
222.06711	5.2
223.07504	4.7
224.08034	5.4
229.08615	16.2
231.08006	4.9
233.05920	8.6
234.06728	13.4
235.07500	30.1
236.08292	25.7
237.09059	13.4
238.06238	5.7
239.07031	7.1
246.06505	5.3
247.07486	25.1
248.08321	11.2
249.05409	11.1
249.09093	13.9
251.07022	14.8
251.10611	40.4
261.05359	8.1
261.08987	5.8
262.06116	5.4
263.06921	16.5
264.07813	42.1
265.08621	25.6
266.09210	7.2
276.07837	6.2
277.08557	16.4
278.09302	12.2
279.06577	6.6
279.10120	26.1
281.08081	6.9
282.38528	4.8
283.09546	13.7
291.06430	6.2
291.10144	7.9
292.07172	13.1
293.08002	17.2
294.08719	24.5
295.09387	7.8
297.11090	6.1
307.09586	95.3
308.10242	14.8
309.11227	11.1
311.12665	45.1
318.70053	4.6
319.09515	12.1
324.09885	11.4
337.10605	41.3
338.11349	6.5
339.12268	83.5
340.12494	6.2
341.13739	17.3
351.12149	12.3
352.13174	6.3
368.28912	6.9
369.13135	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11392	0.3
55.01617	0.3
55.01866	1.4
55.89479	0.3
61.39133	0.3
64.87386	0.3
69.03414	0.4
70.52666	0.8
79.05477	0.5
81.03419	0.5
81.07038	0.4
85.31312	0.3
91.05478	1.6
93.07045	0.7
95.04956	0.5
98.22799	0.4
103.05460	0.9
105.07037	1.4
107.04951	0.8
107.08569	0.4
109.06634	0.3
115.05435	0.8
117.07036	0.6
119.04955	0.6
121.02832	0.4
121.06519	0.7
131.04936	1.4
137.05963	1.9
145.06454	1.1
146.05971	0.4
147.04434	0.8
147.08028	0.4
151.03876	0.7
152.06238	0.8
153.05423	0.4
157.06512	0.4
159.04391	0.5
159.08032	0.5
160.05104	0.3
161.05989	0.5
165.06963	3.2
166.07797	1.6
167.08562	0.8
167.10768	0.3
168.05769	0.4
169.06596	0.4
173.06036	0.4
176.06197	0.4
176.55411	0.4
177.05524	0.4
177.06976	1.5
178.07747	4.0
179.08549	2.3
181.04990	0.5
181.06415	2.0
181.10103	0.7
182.07315	0.5
185.04280	0.5
185.05972	0.4
189.07008	2.1
189.08968	0.5
190.07771	2.4
191.08533	4.2
192.05745	0.4
192.09332	0.9
193.06458	0.8
194.07254	5.2
195.08057	3.0
199.07535	0.5
201.07047	0.3
202.07730	3.9
203.08495	3.7
204.09256	0.8
205.06445	3.4
206.07256	2.8
207.06360	0.5
207.08049	3.8
207.09900	0.8
208.05261	0.7
208.08618	1.7
209.05948	1.3
209.09584	1.8
210.06685	0.9
211.07481	0.8
215.08542	1.2
217.06491	1.0
217.08467	0.4
218.07196	2.8
219.08011	7.7
219.10162	0.4
220.05156	1.0
220.08736	3.4
221.05931	2.8
221.09525	2.4
222.06718	4.7
223.07478	3.3
223.11136	0.6
224.08299	0.8
225.09131	0.6
230.07115	1.7
231.08020	5.4
232.08788	2.7
233.05952	2.4
233.09622	1.4
234.06723	3.0
234.10344	0.5
235.07498	6.0
235.11118	0.5
236.04634	0.5
236.08250	2.3
237.05431	0.9
237.09059	5.0
238.06212	1.6
238.09770	1.5
239.06895	1.0
239.10678	0.5
243.08072	0.4
245.05989	0.5
245.09796	0.5
246.06796	1.4
247.07516	6.2
248.08281	7.1
249.05508	0.9
249.09067	4.7
250.06233	4.0
250.09789	1.4
251.06985	4.6
251.10664	1.4
252.07819	3.1
252.10178	0.4
252.11423	0.4
253.08539	1.6
258.06757	1.0
259.07562	1.5
260.08255	1.0
261.05484	1.4
261.09055	3.2
262.06247	1.2
262.09940	1.9
263.07022	3.8
263.10547	1.9
264.07813	2.7
265.08563	14.4
266.05792	1.0
266.09308	3.6
267.06717	0.8
267.10089	1.0
273.09332	0.6
274.06216	0.6
275.06998	1.5
276.07736	2.9
277.08548	3.2
278.05701	1.6
278.09354	2.6
279.06458	3.0
279.10153	3.4
280.07349	0.7
280.11020	0.9
281.08383	0.4
281.11700	1.2
282.08963	0.8
283.09592	0.9
289.05093	0.6
290.05902	0.6
290.09164	0.6
291.06778	0.6
291.10104	12.4
292.07373	0.4
292.10544	0.7
293.08090	5.6
293.11194	0.7
294.08810	5.3
295.09518	2.8
304.07397	0.5
305.08176	0.9
306.08704	0.4
307.09549	3.9
308.10419	2.3
309.11157	13.2
310.11548	0.9
311.09052	1.6
311.12527	0.5
319.09631	7.8
320.10059	0.5
322.08206	2.0
323.09076	1.9
325.10587	0.7
336.09756	0.6
337.10641	100.0
338.11172	11.4
339.12210	1.7
354.10904	0.7
369.13141	23.1
370.13718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.133
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
50.54608	5.9
55.01880	7.8
55.05514	15.0
55.24777	5.7
57.03434	14.8
65.03939	35.8
67.05491	31.9
69.07064	7.1
69.31023	6.4
70.18603	14.3
77.86207	6.4
79.05486	14.0
81.03414	7.5
81.07053	24.7
83.08610	14.4
85.02906	10.7
91.05462	10.7
93.03407	14.0
93.07066	13.2
95.01311	7.3
95.04958	16.1
95.08558	7.9
97.06548	9.3
98.22784	9.4
100.79636	5.8
107.04954	8.1
108.36443	7.5
109.10154	15.9
110.03645	28.2
111.04427	36.3
117.07063	9.5
119.08609	10.8
121.10168	9.0
125.05991	32.4
128.06230	10.3
129.07072	8.6
137.05971	9.2
149.06010	9.9
153.05461	100.0
170.07283	7.0
179.08556	9.1
181.05080	6.9
185.05978	20.5
186.06825	10.6
190.07739	12.9
191.08604	10.1
199.07516	24.2
201.05484	9.2
203.08488	9.6
205.06517	9.1
207.08034	17.5
216.07788	29.9
218.07243	16.8
219.07985	31.7
220.08794	18.6
221.06009	7.9
221.09619	10.1
222.06721	6.7
223.07555	9.8
229.08601	24.4
234.06828	12.9
235.07497	34.3
236.08316	28.6
237.09023	11.8
238.06386	7.1
246.06686	13.2
247.07594	21.1
248.08382	15.4
249.09192	15.2
250.06224	9.3
251.10681	34.6
259.07654	7.6
261.09042	6.3
262.06326	8.0
263.06943	22.3
264.07748	39.7
265.08545	37.5
266.09256	11.5
275.07065	9.1
276.07806	10.5
277.08594	25.4
277.21564	9.3
278.09262	13.4
279.10162	26.7
281.08112	17.4
281.11557	9.2
291.10226	14.9
292.07089	7.3
293.08167	15.5
294.08923	14.3
295.09668	7.5
296.09988	7.1
305.07996	11.1
307.09598	96.1
308.10092	8.9
309.11136	25.4
311.09500	9.7
311.12723	44.4
319.09564	7.3
337.10657	68.3
339.12189	85.4
341.13779	10.7
351.12024	11.6
369.13132	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1331
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
52.83237	0.3
55.01793	0.7
55.02027	0.5
65.03833	0.4
65.99158	0.4
66.31302	0.3
69.39746	1.7
80.59830	0.4
84.71565	0.4
89.17452	0.4
89.54974	0.3
91.05337	1.3
91.05880	0.5
95.04893	0.4
101.16376	0.3
105.03297	0.5
105.06890	0.5
107.04869	0.8
115.05337	0.4
121.06398	0.6
131.04767	1.2
137.05811	0.4
145.06429	0.9
152.06096	0.5
157.06383	0.6
159.04387	0.4
165.07002	2.4
166.07651	1.0
167.08467	0.5
169.06477	0.4
172.18832	0.4
177.06937	0.6
178.06506	0.4
178.07756	3.4
179.08525	1.9
179.09792	0.5
181.06364	1.3
189.06967	2.2
190.07709	2.1
191.08551	3.1
192.05571	0.5
192.09242	0.6
193.06445	0.5
193.10103	0.5
194.05827	0.4
194.07240	4.6
195.08015	2.4
199.07516	0.6
202.07785	4.4
203.06699	0.5
203.08510	4.1
204.09296	1.0
205.06432	3.5
206.07208	2.8
207.08020	4.6
208.08636	1.5
208.17574	0.4
209.05815	0.8
209.09468	1.7
210.06667	0.8
211.07430	0.6
215.08472	1.0
217.06429	0.6
217.08403	0.4
218.07237	3.1
219.08047	7.6
220.05106	0.9
220.08795	3.9
221.06035	2.0
221.09595	2.0
222.06755	4.1
223.07501	3.5
224.08211	0.8
225.09036	0.4
230.07097	1.4
231.08023	5.6
232.08771	2.6
233.05945	2.6
233.09453	1.0
234.06720	1.9
234.10216	0.6
235.07491	6.6
236.04559	0.6
236.08269	2.4
237.09053	4.7
238.06169	1.7
238.09665	1.2
239.06955	0.8
245.09509	0.7
246.06635	1.3
247.07497	6.6
248.08286	6.1
249.05301	1.0
249.09073	4.2
250.06134	3.1
250.09770	1.3
251.07028	4.4
251.10577	1.0
252.07805	2.1
253.08501	0.7
258.06689	0.8
259.07425	1.6
260.04184	0.4
260.08212	1.0
261.05350	0.8
261.09036	2.2
262.06165	1.1
262.09833	2.5
263.07077	3.0
263.10577	1.7
264.07791	3.3
265.04495	0.6
265.05444	0.6
265.08557	11.5
266.05835	0.8
266.09171	3.7
267.06506	0.5
267.09967	0.9
273.08936	0.6
275.06946	1.5
276.07816	3.2
277.08563	2.4
278.05707	1.5
278.09183	1.3
279.06451	3.4
279.10056	4.1
280.07187	0.8
280.10715	0.9
281.08017	0.3
281.11578	1.0
282.08569	0.8
283.09418	0.6
289.05090	0.6
289.08545	0.5
290.09381	0.5
291.07104	0.6
291.10104	12.4
292.07300	0.6
292.10394	0.5
293.08069	4.6
294.08826	4.2
295.09601	2.0
297.56021	0.4
305.07910	0.8
307.09665	4.3
308.10345	2.1
309.07867	0.6
309.11157	12.2
310.11688	0.8
311.09082	1.0
319.09634	6.8
322.08371	2.0
323.08994	1.1
337.10657	100.0
338.11188	10.7
339.12109	1.1
354.10886	0.9
369.13327	24.9
369.18643	2.8
370.13657	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63332	0.2
55.05485	0.3
57.45603	0.2
69.03403	0.3
69.57659	0.6
69.58041	0.5
71.05012	0.3
79.05458	0.5
81.07024	0.3
85.02872	0.4
91.05456	0.7
93.06989	0.5
93.96956	0.3
105.06965	0.3
111.37994	0.3
118.57608	0.2
119.61471	0.2
121.06495	0.3
121.10165	0.3
137.05962	2.5
143.34357	0.3
147.04366	0.4
151.03903	0.6
167.05530	0.3
175.03867	0.3
185.04178	10.8
186.04558	0.4
189.08842	1.1
203.05287	0.4
207.09894	100.0
208.10258	3.8
216.20235	0.3
369.15131	35.0
370.15482	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	369.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
58.48262	0.5
69.03403	0.8
69.07041	0.7
71.04980	0.7
71.13654	0.6
81.07063	0.7
91.05466	2.2
93.07026	0.9
97.02876	0.6
97.10105	0.7
98.89313	0.5
107.04925	0.8
119.04909	1.1
119.08522	0.6
135.04393	4.1
137.05933	2.0
147.04385	0.7
161.05907	0.8
161.09644	0.7
167.07011	0.9
185.04211	10.4
189.08943	1.9
189.11169	0.8
189.12602	3.0
195.95886	0.6
201.03763	0.6
203.05331	0.6
207.09901	100.0
208.10284	3.0
208.13260	5.1
293.11572	0.6
346.08240	0.5
369.15057	33.2
369.18927	14.2
369.28329	1.1
370.15353	2.0
370.19427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1518
Annotation	Drosopterin
Peak:m/z	Relative Intensity
55.05486	1.7
67.05487	1.1
70.99447	1.0
79.05458	0.8
81.03384	0.7
83.05001	0.8
85.02873	1.7
91.05444	1.7
95.08555	1.0
98.85412	0.7
99.04420	1.0
100.11213	1.4
105.06943	1.6
107.08576	1.0
119.04938	1.3
119.08578	0.9
120.40453	0.6
121.10160	1.0
128.10684	0.7
133.10124	0.9
135.04391	4.1
137.05978	0.6
145.08553	1.6
145.10027	0.9
147.07980	0.7
151.07449	0.9
161.13237	0.8
163.11131	1.6
185.04182	19.3
189.12793	1.3
191.08960	0.8
191.14287	1.1
207.09892	100.0
207.13875	2.6
208.10240	3.5
208.13225	6.6
253.15363	0.8
254.36156	0.6
273.42099	0.7
279.88187	0.6
284.58139	0.7
293.11899	1.0
369.15161	59.1
369.28561	1.7
370.15393	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	369.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30298	0.7
59.19169	0.6
64.25389	0.8
69.03396	0.9
70.98391	0.9
79.05465	1.4
81.03381	2.4
91.05447	1.4
104.84592	0.7
109.02832	1.1
119.04945	3.5
121.10161	0.8
123.04413	4.2
136.81380	0.7
137.06010	1.5
147.04355	4.3
161.05960	1.0
167.07144	0.8
170.26721	0.8
173.32712	0.7
175.03911	5.1
177.05482	0.9
185.04218	8.3
189.08922	1.1
193.94627	0.9
207.06548	5.7
207.09891	100.0
208.10231	3.4
215.11012	0.8
327.08743	2.3
337.10580	1.1
351.10886	2.0
369.15155	63.2
370.15433	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	369.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21724	2.2
55.05485	10.2
56.96284	3.9
56.96555	59.9
67.05486	4.7
68.40720	2.4
69.87382	7.4
79.05471	4.4
81.07030	4.9
81.62472	2.5
83.08585	3.9
93.07044	4.2
95.08569	6.6
105.07022	4.7
109.10127	3.2
110.97537	3.8
121.10153	2.9
123.11762	2.5
123.15285	2.5
128.98601	4.4
133.10078	3.6
137.02718	3.4
146.99611	4.4
155.03816	3.1
185.04701	2.7
189.04337	3.5
199.06445	4.5
211.06302	4.1
213.07913	16.3
217.07422	6.0
225.07912	5.5
229.07434	13.6
231.09016	23.6
237.07938	3.2
239.09480	5.1
241.11032	12.3
243.08987	3.7
247.08502	7.6
251.09534	10.3
255.09026	3.8
257.10547	3.6
259.12143	12.0
262.10001	3.2
269.10556	40.3
287.11649	19.8
293.11545	3.7
306.46170	3.2
333.17331	27.0
351.18338	41.1
369.15417	8.0
369.19470	100.0
370.19858	5.2
371.51074	2.9
387.20493	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57365	0.8
55.01861	5.8
55.05503	6.8
57.03424	3.3
57.07062	1.0
67.05490	7.7
69.03415	0.9
69.07057	4.5
70.07837	0.7
70.08173	1.5
70.27913	0.6
78.15817	0.7
78.92311	0.6
79.05493	7.0
81.07044	32.6
83.04971	2.0
83.08601	2.3
85.06532	0.9
91.05489	3.3
93.07024	5.9
95.08584	6.4
97.06503	1.7
105.07016	4.4
107.02839	0.7
107.08578	5.5
109.06498	10.5
109.10130	2.8
111.04428	18.6
119.08564	6.7
121.10125	4.4
123.08064	2.4
123.11674	1.2
125.05955	6.3
125.70309	0.7
131.08530	2.2
133.10107	4.4
135.08011	3.6
135.11691	3.6
137.05954	100.0
137.13182	1.5
138.06282	2.0
141.57495	0.7
142.07748	0.8
143.08568	1.9
145.10057	1.8
147.08014	1.4
147.11674	6.6
148.11876	0.7
149.09575	3.9
149.13240	1.6
151.07521	2.5
151.11089	1.3
157.10080	1.9
159.11699	1.1
161.09593	6.3
161.13246	2.0
163.11147	2.2
165.09096	2.6
167.10660	1.3
171.11671	1.0
173.13112	0.7
175.11147	3.4
175.14754	1.2
179.10664	1.8
183.24194	0.7
189.12669	0.8
193.12292	1.4
203.14233	0.8
203.17924	4.8
205.19351	1.5
213.16342	2.7
221.18979	1.5
231.17390	9.6
241.15926	2.0
249.18440	12.8
262.09692	0.8
271.57727	0.8
277.17941	58.7
278.18326	4.0
295.18970	11.5
351.21561	6.8
352.22040	0.7
369.22708	3.0
369.29626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.242
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
50.50112	10.9
55.05507	21.7
57.07072	38.7
58.06588	19.5
60.08144	20.4
66.51267	15.1
67.05488	52.8
69.07035	17.9
69.23538	27.0
69.23943	49.6
71.04968	14.3
79.05497	14.2
79.46367	12.4
81.07053	37.1
87.04419	11.7
91.05459	50.4
93.07028	52.9
94.88402	17.2
95.04948	23.4
95.08576	85.6
98.22702	27.9
105.07021	75.2
107.08567	46.8
109.10151	32.9
111.08044	31.0
117.07024	25.4
117.07831	12.9
119.08547	100.0
119.59686	14.3
121.06532	16.9
121.10088	30.1
123.08089	17.4
123.11694	17.5
129.06993	16.0
131.08540	45.5
133.10124	51.4
135.08047	31.4
135.11697	26.9
137.05974	72.8
143.08540	29.7
145.10146	51.3
147.08075	20.7
147.11665	21.7
149.09579	32.2
155.08556	14.0
157.10080	50.9
158.69232	13.8
159.11682	44.5
161.02931	14.7
170.10970	14.5
171.11674	27.6
173.13168	28.1
175.14792	30.0
182.10783	17.6
183.11606	30.5
187.14760	29.1
195.11766	23.2
197.13341	23.5
209.13179	19.3
265.19473	13.9
293.11682	19.7
311.62442	14.2
351.22977	29.2
368.42453	77.6
369.15231	45.7
369.24109	54.7
369.42691	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69611	2.7
53.03946	5.1
55.01854	6.9
55.05501	33.6
57.03412	7.9
57.07060	8.9
60.08147	3.2
65.03931	5.2
67.05495	100.0
68.87686	2.4
69.07056	19.2
69.56003	7.2
69.56394	5.6
70.79448	3.3
71.04951	5.6
71.08607	12.0
71.11835	2.7
79.05479	59.1
81.06561	3.6
81.07040	68.9
82.81949	3.0
83.04957	9.4
83.08596	13.2
84.43502	2.7
85.06509	7.0
91.05465	28.2
93.07024	56.7
95.04942	11.0
95.08594	36.4
97.06504	12.0
97.10159	23.2
98.22691	3.9
99.08098	8.4
103.87476	2.8
105.07012	29.2
107.08578	54.2
109.06490	8.5
109.10147	52.3
111.08049	5.1
116.29256	3.0
117.07002	6.9
119.08550	19.5
121.06515	3.9
121.10123	22.1
123.11691	5.4
125.09577	19.0
129.07019	3.5
131.08554	10.8
133.10139	19.9
135.08034	3.1
135.11694	30.0
137.09575	5.2
143.08530	4.1
145.10074	8.9
147.11664	11.5
149.13213	13.5
151.11147	7.5
157.10080	4.8
159.11693	7.4
161.13255	9.1
163.14786	3.7
165.12706	10.5
171.11557	5.2
173.13211	4.6
175.14761	7.7
179.14301	11.9
187.74075	3.2
189.11258	17.0
193.15819	3.8
227.12758	8.8
234.29868	3.0
241.19496	9.3
245.13824	8.9
259.20490	17.8
259.63092	3.5
277.21613	46.7
278.21857	6.2
289.21533	8.0
333.23932	4.6
351.25201	38.1
368.42328	7.7
369.15469	3.4
369.20166	7.1
369.25580	3.7
394.88486	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	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06115	4.0
54.48405	3.9
55.01865	61.6
55.05496	18.5
57.03429	20.1
57.07073	7.1
67.05495	50.2
69.07062	38.5
69.45673	21.4
71.04971	9.9
79.05481	42.9
81.07047	72.0
83.04965	11.9
83.08592	11.0
85.06517	6.7
91.05466	48.7
92.05809	5.2
93.07030	57.1
95.04954	15.7
95.08585	68.3
97.06518	77.0
97.10185	4.4
98.23416	4.6
99.08104	8.1
105.07015	39.8
105.80367	4.3
106.06519	4.5
107.08566	37.6
109.06503	10.5
109.10128	18.5
110.89213	4.1
117.07069	4.2
119.08559	29.2
121.10110	41.3
123.08033	13.9
125.09621	11.6
131.06953	6.6
131.08572	20.7
133.10127	23.9
135.11661	30.3
137.09581	11.4
139.11172	5.7
145.10086	19.9
147.11664	44.5
149.02258	4.3
149.13164	9.1
151.07500	6.2
151.11162	9.9
159.11691	13.3
161.09602	5.3
161.13222	12.8
163.11118	16.5
163.14714	6.4
165.12753	16.0
171.11656	9.6
187.14781	14.6
193.04922	5.6
198.42361	5.1
200.61694	3.8
205.15819	8.2
221.18942	7.9
241.19562	9.3
246.66991	4.9
249.21950	7.0
259.20575	29.6
266.82721	4.0
277.21576	100.0
293.11703	5.8
310.14651	4.7
351.25366	46.2
368.42407	6.8
369.15112	6.1
369.26044	18.2
369.31531	14.9
369.42847	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	18.0
55.01861	8.6
55.05500	28.9
57.03426	5.0
57.07061	6.9
60.77702	2.0
61.16310	2.1
62.88522	2.4
67.05493	61.2
69.03386	2.3
69.07063	36.3
69.21629	12.3
71.08609	3.7
79.05479	42.3
79.63406	2.5
81.03404	69.9
81.07043	54.3
83.04983	14.8
83.08614	11.7
85.06533	3.2
86.22016	2.3
91.05453	24.7
92.13374	2.1
93.07026	41.6
95.04950	40.4
95.08600	20.5
97.06530	4.8
97.10157	7.5
99.08089	4.6
101.04011	2.5
105.07013	27.5
107.08558	24.2
109.06475	11.4
109.10142	18.6
111.08070	3.2
113.78091	2.2
117.06996	6.2
119.08564	15.9
121.06528	3.0
121.10164	12.2
123.08066	6.8
123.11688	9.5
123.89868	2.2
125.09620	8.8
129.07016	3.2
131.08530	4.7
131.16377	2.7
133.10124	14.7
135.08067	5.2
135.11682	12.5
143.08556	3.2
145.10146	3.6
147.11655	12.0
149.09575	4.5
149.13252	8.6
151.11160	36.8
152.11554	3.1
153.09122	3.9
161.13234	9.0
163.14810	6.7
165.12743	8.5
171.11623	4.5
175.11223	2.7
175.14856	2.8
177.12755	3.2
179.14291	7.9
189.12833	3.1
193.12146	4.3
207.13736	6.7
217.19617	2.7
218.38832	2.5
223.91492	2.7
227.12753	3.2
231.21120	6.2
241.19501	6.2
244.16925	2.2
249.22217	5.2
259.20496	8.9
277.21567	100.0
278.21896	5.6
283.49045	2.6
351.25262	48.6
352.25583	3.4
368.42548	4.8
369.42990	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01868	25.5
55.05502	35.3
57.03430	28.0
57.07058	4.4
67.05497	100.0
69.07062	25.0
69.31039	13.2
71.05000	4.2
72.26449	2.5
79.05486	58.3
81.03397	4.9
81.06563	4.3
81.07048	86.4
83.04971	8.3
83.08612	19.6
85.06542	5.0
91.05470	34.5
93.07030	66.0
93.92602	2.7
94.07388	2.8
95.04973	7.1
95.08596	57.3
97.06520	34.2
97.10149	21.8
99.08077	6.3
105.07008	38.9
107.08578	66.2
107.09257	5.0
109.06518	10.2
109.10142	56.0
110.98444	2.6
111.08052	3.5
113.09589	2.4
117.07020	12.6
119.08579	33.4
121.10124	41.7
123.08076	8.0
123.11717	5.8
125.09608	23.4
129.06996	6.7
131.07051	6.0
131.08531	17.1
133.10118	25.2
135.08029	4.1
135.11690	34.6
137.09612	5.7
139.03331	2.8
143.08574	6.5
143.10646	2.8
145.10052	13.4
147.11664	26.8
149.09540	3.2
149.13248	17.2
151.11171	7.8
157.10091	4.1
159.11694	11.9
161.13196	14.7
163.11194	8.6
163.14854	3.8
165.12709	10.1
171.10291	2.6
171.11743	7.4
173.11729	3.9
173.13208	5.2
175.14815	6.4
177.12712	5.4
179.14308	4.8
185.13226	5.3
187.14786	15.9
189.11234	14.8
189.12692	4.6
201.16389	3.6
205.15858	11.9
217.29958	2.6
221.15408	3.0
221.18964	7.3
227.12778	9.1
231.21199	3.7
241.19565	8.0
245.13925	4.4
249.22000	3.8
252.92952	2.6
259.20523	30.9
277.21609	77.3
278.22119	3.8
351.25235	38.1
352.25720	3.3
369.26126	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
53.61374	2.4
55.01854	6.9
55.05256	3.0
55.05506	41.6
57.03430	12.9
57.07068	8.2
65.03945	4.4
67.05499	100.0
69.03419	4.1
69.07061	31.7
71.04983	7.7
71.08623	60.0
79.05485	60.1
81.03410	25.1
81.07048	76.2
83.04967	11.2
83.08610	20.7
85.06538	5.0
91.05466	47.5
92.05769	2.8
93.07037	60.7
95.04958	27.0
95.08598	46.1
97.06519	12.2
97.10173	13.3
99.08086	48.3
105.04516	3.2
105.07023	38.2
107.04976	5.3
107.08577	36.0
109.06495	7.6
109.10145	26.7
111.08073	6.1
114.09951	2.0
117.07005	11.1
119.08570	24.2
121.06542	3.1
121.10146	20.2
122.07288	2.6
123.08044	7.5
123.11691	8.1
125.09595	11.1
129.07011	4.4
131.08530	9.2
133.10097	17.4
135.07997	3.6
135.11699	21.6
137.09578	5.6
137.13264	2.9
139.07530	4.4
143.08508	6.0
145.10135	15.9
147.08043	2.6
147.11652	14.1
148.41299	2.5
149.13255	8.6
151.11168	80.9
152.11520	3.3
153.09100	3.2
157.10115	3.9
159.11732	5.6
161.09627	3.3
161.13223	26.0
163.11163	23.3
163.14793	6.4
165.12724	10.3
171.11649	4.9
173.11714	18.6
173.13174	4.0
175.14790	9.9
177.12724	3.0
179.14296	21.1
185.13246	8.1
189.11195	7.2
193.15988	2.6
199.14758	4.3
205.04951	2.7
207.13777	3.9
221.15324	2.9
227.12778	10.9
231.21039	6.4
241.19440	14.3
245.08432	2.4
245.13896	7.5
253.17825	6.3
259.20547	13.9
277.21597	88.8
278.21872	4.7
293.11523	4.3
305.57648	2.6
351.08685	5.8
351.25278	38.2
352.25299	2.8
369.16495	25.7
369.25598	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01871	1.5
55.05507	17.0
55.65548	1.1
57.03434	5.0
57.07074	6.0
65.03923	2.5
67.05502	100.0
68.05833	1.6
69.07064	22.6
69.48683	4.3
71.04972	1.7
71.08603	2.5
77.16058	1.0
79.05034	2.1
79.05486	32.9
80.05792	1.1
81.07053	75.6
81.35769	1.1
82.07388	1.5
83.04974	7.2
83.08599	5.0
85.06532	5.0
85.10108	1.2
91.05475	43.1
93.07043	39.5
95.04965	7.4
95.08604	67.4
96.08939	1.9
97.06518	3.6
97.10157	3.0
98.22603	1.5
99.08069	1.8
101.06017	3.8
103.03967	2.3
105.07031	27.5
107.04934	1.4
107.08586	18.7
109.06503	1.5
109.10155	29.7
110.10501	1.3
111.04442	5.4
111.08067	2.1
113.09598	1.6
117.07007	6.4
119.03432	2.0
119.08572	30.0
121.06431	1.3
121.10136	20.6
123.11728	6.8
127.07561	2.3
129.05466	3.1
129.07007	4.3
131.08560	11.5
133.10127	28.7
135.08067	2.5
135.11702	10.3
137.09595	3.4
137.13255	4.2
139.07518	2.4
139.11121	1.2
143.08534	4.9
145.10080	6.0
147.08044	2.7
147.11668	19.6
148.12007	1.2
149.09601	5.6
149.13255	10.0
151.11163	18.9
151.14815	7.5
153.09108	1.6
157.10106	6.0
159.11674	4.7
161.09615	4.7
161.13229	9.8
163.11180	2.7
163.14806	3.2
165.09097	2.7
165.12781	4.0
167.10683	2.4
171.11693	6.8
173.13306	3.3
175.11162	4.5
175.14819	11.8
177.12711	2.6
177.16437	1.6
179.10597	1.9
185.13283	3.8
187.14798	2.1
189.12788	2.6
189.16393	1.3
193.12254	1.9
193.15889	2.2
195.13843	2.1
199.14777	1.8
199.91415	1.2
203.14464	1.7
207.13823	3.3
215.17995	1.6
217.19539	3.0
221.15379	3.0
231.17465	1.9
231.21024	12.2
241.19530	12.6
259.20535	18.5
277.21613	18.5
278.21765	1.5
333.24158	2.6
351.25223	25.1
352.25421	2.2
368.42352	2.5
369.15402	1.4
369.19971	2.7
369.26123	3.1
369.42838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20414	0.8
69.03443	0.7
70.85237	0.9
85.02911	2.7
91.05502	1.5
93.19868	0.8
97.02899	2.0
98.23452	0.8
115.05459	1.0
118.06577	1.9
128.04951	4.9
130.06525	3.4
132.08072	1.7
142.06523	2.5
146.05992	100.0
147.06355	2.6
158.06026	4.5
160.07550	5.2
170.53755	0.7
184.07637	1.2
188.07027	11.4
190.04974	11.2
191.05304	0.9
208.06081	3.6
212.07149	2.0
232.06183	1.4
233.95250	0.7
247.78822	0.7
254.08171	1.0
303.72260	0.9
315.65244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06099	0.6
70.55388	1.1
85.02896	2.1
97.02846	1.8
109.02891	0.8
118.06512	2.3
119.07839	0.7
128.04964	5.0
129.05232	0.7
130.06485	2.9
132.08095	1.8
142.06496	1.8
146.05983	100.0
147.06325	2.5
148.03922	1.1
156.08012	1.2
158.06020	3.3
159.06728	1.1
160.07547	4.9
170.06010	1.3
171.76405	0.9
184.32462	0.7
188.07053	10.7
190.04930	8.9
208.06062	4.7
212.07031	2.9
218.51923	0.7
232.06046	1.3
254.08044	0.9
371.01022	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45220	4.0
81.07026	4.3
128.30493	4.6
207.08000	8.3
208.39064	5.4
219.08020	7.3
232.66664	5.6
233.09735	6.4
235.07489	12.8
247.07510	20.0
247.09792	5.5
249.09068	5.2
250.09982	5.4
251.10641	10.8
252.58043	5.4
262.09818	40.0
263.06970	13.3
263.09958	5.1
278.09256	34.8
279.09973	11.6
280.10925	6.1
281.11804	7.2
293.11679	100.0
294.12457	22.7
295.09576	8.4
295.12881	5.2
310.14590	29.6
325.14368	6.4
338.13776	8.9
369.29410	11.5
370.29486	22.7
372.61603	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	370.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	35.3
66.06992	0.9
68.49352	1.0
69.03401	1.1
71.04984	10.1
73.02899	0.8
85.02890	3.5
87.94261	0.8
92.61636	0.9
95.04951	1.3
97.02831	1.4
113.05989	20.2
123.33847	0.8
131.07030	27.0
131.22276	0.7
145.08580	100.0
146.08890	2.4
162.18614	0.8
173.08089	8.7
179.03311	1.2
180.08768	1.1
182.48456	0.8
188.03523	0.9
191.09126	15.1
227.68925	0.9
285.44385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82972	1.4
57.07078	1.9
67.05498	4.7
70.70380	2.4
71.01349	48.1
71.04968	1.3
81.82428	1.3
85.02898	9.3
85.06550	7.5
95.04961	6.2
97.02864	2.0
98.22757	1.4
103.03956	3.7
113.05993	62.4
114.06329	1.7
124.44327	1.3
127.07496	3.5
131.07018	16.0
145.08582	100.0
146.08919	3.3
155.07008	10.5
160.45888	1.4
173.08066	34.4
176.03728	1.7
191.09164	9.6
203.27872	1.4
245.55127	1.5
340.13843	1.4
371.16760	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	370.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61897	0.9
67.05466	1.2
69.03423	1.5
69.85207	3.1
69.85580	0.8
71.04984	44.5
76.23469	0.9
85.02896	4.1
85.06554	4.0
89.03281	0.9
95.04949	1.3
97.02887	1.1
113.06011	4.4
127.07543	17.9
131.07025	21.9
132.07370	1.3
145.08578	100.0
146.08937	3.2
173.08105	3.4
173.94371	1.0
180.08707	2.1
183.84546	1.0
191.09134	15.0
238.92946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01870	1.0
61.02912	0.7
65.03912	0.6
67.05479	1.3
67.65844	0.5
69.03423	2.3
69.63416	0.8
69.63795	1.0
71.04993	2.4
72.04510	2.2
72.08158	0.7
79.05489	1.5
81.03394	1.3
81.07055	1.1
83.08611	0.5
85.02888	4.4
85.06528	1.0
86.52984	0.5
87.36193	0.5
89.03901	3.1
91.05486	4.7
93.06988	0.6
95.08614	0.8
97.02885	1.2
98.52370	0.5
99.04411	0.6
100.07588	2.1
100.11231	1.2
105.03372	2.1
105.07001	1.5
107.04957	2.4
107.08537	1.2
109.02824	0.5
119.04924	10.4
119.08569	0.7
121.10148	0.9
121.69240	0.4
127.03881	0.7
127.07534	0.9
131.07016	1.2
132.71831	0.5
133.10129	0.7
135.04401	53.9
135.05396	2.0
136.04776	0.9
137.05945	1.4
145.04906	0.7
145.08594	6.2
149.09604	0.8
151.07539	0.6
167.07048	0.9
177.05469	0.4
178.12273	0.7
185.04161	1.0
186.04512	0.9
187.07510	0.6
190.12183	0.5
191.09125	1.1
191.14255	1.1
206.25705	0.4
207.09868	4.8
207.13686	0.6
208.10480	6.1
208.13298	100.0
209.13666	3.0
217.08537	0.8
226.14240	0.5
250.09048	0.4
293.11578	1.0
310.14758	0.5
339.12155	1.2
369.28217	0.8
370.15445	6.2
370.28943	0.7
371.16391	2.4
379.28488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50615	11.5
55.05500	46.6
57.03429	22.9
57.07057	47.4
67.05495	48.0
68.46837	12.8
69.07053	36.2
69.55932	27.3
69.56319	29.8
71.08619	35.4
79.05477	36.7
80.05810	12.0
81.07047	79.1
83.08603	22.3
88.07613	24.8
91.05457	17.3
93.07059	59.8
95.08578	67.6
96.08913	13.7
97.10172	15.8
98.22809	19.5
105.07013	15.5
107.08561	37.8
109.10131	26.9
117.07047	17.1
117.34673	15.1
119.08536	22.3
119.20656	12.7
121.10101	37.2
132.55148	13.4
133.10211	16.0
135.11734	17.0
143.12720	13.2
145.10126	14.8
181.70332	12.4
261.22195	14.8
278.21841	19.7
293.11560	28.2
322.31143	19.4
352.25473	14.8
370.26331	100.0
370.33127	55.4
371.27808	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0136
Annotation	Didemnimide D
Peak:m/z	Relative Intensity
52.65350	0.5
56.96550	1.0
60.14058	0.5
69.03426	1.1
69.47308	1.6
81.03407	0.5
85.02885	1.6
94.92947	0.6
97.02849	1.3
98.97578	1.6
105.01332	0.4
114.23164	0.5
115.03918	1.6
116.98585	0.5
136.94006	4.8
166.95065	1.0
170.99629	0.5
177.21545	0.4
189.00699	1.3
190.95030	1.0
196.96164	1.2
207.01765	0.5
208.96051	0.4
213.00829	0.5
224.04404	1.9
233.04930	1.2
305.07092	0.6
332.05472	0.5
333.04828	1.0
351.06024	1.1
351.36923	0.5
353.00287	1.6
371.01355	100.0
372.01709	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	371.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27059	11.3
55.31946	10.7
67.38770	12.5
70.21344	33.0
71.92255	12.2
76.90184	11.0
82.91312	11.8
138.57912	12.1
146.05972	23.7
147.06316	18.6
220.83105	11.3
234.90857	11.2
234.97372	13.0
235.04489	14.9
237.02664	14.4
371.07285	100.0
371.12863	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	371.1124
Annotation	(-)-DCA-CL
Peak:m/z	Relative Intensity
52.78179	6.0
55.01875	44.8
55.05486	8.1
57.07062	10.8
65.03931	13.2
67.05498	15.2
72.89941	6.1
79.05490	12.6
81.07054	15.6
91.05443	8.1
93.07034	9.0
95.08596	18.1
101.06034	12.1
104.18043	6.3
107.04955	14.6
111.04420	26.3
115.05436	7.3
121.06474	6.5
121.10115	11.0
128.56406	6.8
129.05458	8.8
133.02831	7.9
133.06462	9.6
137.05960	16.3
139.03880	12.3
139.37032	7.3
145.06468	16.1
147.06506	17.2
147.11755	9.9
151.03931	9.5
157.06363	7.0
161.05988	18.8
165.06972	16.7
167.03351	9.1
167.07027	24.3
167.08435	9.6
173.05927	12.6
174.06718	9.0
175.07555	18.1
176.07063	26.1
177.06879	8.2
178.07698	8.0
179.08530	8.4
181.06549	15.3
182.07224	12.4
183.08022	6.8
185.05943	6.7
187.07507	15.0
189.05453	23.2
191.07022	8.3
194.07236	12.6
195.08113	9.0
197.06046	6.4
201.05394	18.4
202.60693	6.8
205.06427	15.7
206.04663	6.2
206.07208	8.3
207.07988	10.7
208.08673	7.5
209.06036	9.7
210.06792	8.3
211.07576	16.3
215.07014	8.8
217.08350	8.0
219.07935	8.5
220.05211	9.7
221.05936	20.2
222.06827	13.6
223.07518	8.0
224.08275	10.0
225.09039	8.5
227.07089	14.4
233.05930	6.8
234.06657	14.5
235.07513	21.1
236.07974	7.0
237.05431	20.7
237.09030	18.8
238.06284	8.4
239.07007	20.4
241.08601	11.4
247.07422	9.2
249.05481	21.7
249.08998	13.8
250.06172	13.6
251.07076	15.8
252.07806	11.8
253.08528	29.6
255.06471	12.9
255.10056	13.8
263.06973	26.7
265.04922	14.5
265.08533	31.8
266.05869	7.6
267.06525	9.3
267.10150	11.8
269.07977	10.0
277.08646	15.0
278.05707	13.4
279.06494	15.3
280.07263	20.1
281.08023	28.2
282.05530	7.7
282.08691	12.9
283.09671	11.3
290.09418	6.7
291.06369	11.4
292.07312	10.7
293.08084	52.9
295.09573	24.5
296.15338	6.4
297.07516	8.4
297.10947	7.8
298.08057	7.2
307.09219	7.3
309.07532	35.2
309.10715	7.9
310.08136	7.9
313.10629	16.5
322.08362	46.1
323.09091	100.0
325.10654	23.3
335.09229	9.4
337.09595	6.6
339.08575	11.2
339.12195	21.4
341.10220	84.9
342.10370	7.9
353.10190	19.2
371.11221	52.4
371.15201	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	371.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.9
58.06607	7.6
67.05485	8.0
70.06583	7.8
79.05504	9.3
81.07035	6.7
83.04956	6.4
83.08587	6.5
84.08105	6.7
91.05444	11.0
93.07055	9.8
95.04956	21.4
97.02946	8.7
98.97546	11.0
100.11258	12.2
101.06020	17.2
103.05474	8.8
105.07034	7.8
107.04949	17.0
111.04473	16.5
116.98608	6.8
119.08627	8.2
121.06520	7.8
121.10143	6.5
125.85266	6.2
129.05452	9.1
129.07022	11.2
131.04909	17.1
137.05983	26.5
147.06474	7.9
149.09636	11.8
161.05989	9.4
167.07047	71.2
175.07576	28.3
176.04448	34.8
187.07593	17.9
191.07036	23.5
191.10555	13.4
192.07768	9.3
201.05292	8.4
204.06534	10.5
209.07950	14.8
209.11540	27.8
209.15408	8.5
210.14801	7.3
217.08466	13.5
218.05426	7.1
218.07365	10.3
235.07596	10.3
239.07178	8.8
240.07564	6.3
247.07570	7.7
252.07799	6.4
261.09045	9.4
263.07120	9.5
271.09814	6.4
281.11569	6.0
290.86545	6.6
293.11813	8.0
309.11029	11.5
321.11255	15.0
339.08719	7.6
339.12064	31.5
341.09964	8.8
371.10843	76.5
371.15146	100.0
372.10959	8.6
372.14935	9.0
372.21548	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	371.1487
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01867	0.6
55.05505	0.5
58.17509	0.3
67.05515	0.9
69.03419	0.8
69.07076	0.5
71.05001	0.3
79.05515	0.8
81.07064	0.9
83.08648	0.4
91.05497	1.3
93.07070	0.8
95.04966	0.4
95.08602	0.7
97.02914	0.4
101.06022	0.5
103.05485	0.4
105.07040	1.2
107.04957	1.6
107.08597	1.0
109.06512	0.4
109.10180	1.0
115.05464	0.6
119.04940	0.5
119.08546	0.5
121.02894	0.5
121.06530	0.7
121.10136	0.8
128.06149	0.4
129.06967	0.6
131.04886	1.8
131.08578	0.3
137.05980	1.3
137.09639	0.8
144.05739	0.5
145.06537	0.8
145.10150	0.5
146.07146	0.4
147.04387	0.7
147.07938	0.4
149.02420	0.4
151.07564	0.4
152.06142	0.6
153.06984	0.7
157.06526	0.4
159.04370	0.6
159.08041	0.5
163.07516	0.4
163.11151	0.5
165.06969	2.1
165.09117	0.6
166.07770	1.4
167.07018	1.0
167.08423	0.6
171.08090	0.5
175.07568	1.1
177.05429	0.3
177.06926	0.9
178.07698	3.1
179.08543	2.0
181.06445	2.4
187.07437	0.4
189.06914	1.7
190.07716	1.6
191.08521	1.8
191.14302	0.6
192.05701	0.4
192.09297	0.3
193.06516	1.3
194.07242	4.6
195.08002	2.6
196.08798	0.9
197.06013	0.5
202.07777	0.9
203.08562	1.2
205.06450	2.4
205.10100	0.8
206.07236	3.8
207.08000	3.6
208.08826	1.0
209.04289	0.7
209.06039	2.1
209.09462	1.5
210.06644	1.1
211.07594	0.6
212.08078	0.4
215.08614	1.6
217.06537	0.5
218.07249	2.2
219.08003	2.6
219.09894	0.4
220.05205	0.7
220.08749	0.4
221.05960	3.5
221.09457	1.5
222.06732	6.3
222.10255	0.6
223.07465	4.1
224.08284	4.8
225.09053	0.8
231.08035	1.5
232.08705	1.6
233.05981	1.3
233.09641	1.8
234.06700	5.6
234.10339	1.2
235.07469	6.6
236.08287	5.4
237.05467	4.0
237.09030	3.6
238.06213	1.1
238.09808	0.7
239.07036	0.8
239.10634	0.9
241.08409	0.3
243.08118	0.3
247.07423	1.9
248.08299	1.8
249.05537	1.5
249.09058	16.6
250.06270	3.9
250.09830	4.1
251.06973	5.2
252.07770	13.7
253.08516	3.5
254.09039	0.7
260.08328	1.1
261.09134	2.0
262.06345	0.5
262.09747	0.7
263.07028	4.1
263.10297	0.7
264.07764	5.9
265.05038	2.7
265.08548	20.4
265.11584	0.7
266.05707	0.8
266.09299	12.5
267.06635	0.6
267.10031	2.0
268.11014	0.5
269.08173	0.5
275.07004	0.4
275.10748	1.2
276.07504	0.4
277.08530	4.6
278.09280	2.8
279.06473	1.5
279.10068	0.9
280.07260	12.0
280.10779	1.2
281.07971	6.7
282.08554	0.6
283.13235	0.7
289.08606	0.4
291.06580	0.6
291.10092	0.4
292.07349	0.6
292.10941	0.7
293.08078	2.9
293.11703	10.8
294.08743	1.3
294.12064	1.1
295.09628	4.4
296.07117	0.4
296.10355	10.1
297.11127	1.0
300.85638	0.4
303.10071	0.5
307.09583	0.5
309.11087	2.3
310.11945	1.4
311.09238	0.7
311.12698	9.6
312.09760	0.6
312.13159	0.5
313.10577	1.2
321.11160	7.0
322.11679	0.5
324.09906	1.6
325.10626	1.2
327.12198	0.8
339.12219	100.0
340.12653	11.3
353.13803	1.2
356.12628	0.5
371.14828	31.9
372.15134	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	371.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
55.05496	1.1
55.68450	0.5
59.58130	0.5
61.40366	0.5
63.44045	0.6
64.49067	0.4
67.05479	0.7
71.04973	0.7
79.05455	0.8
81.07034	1.5
91.05468	1.8
93.07021	0.9
95.04951	0.8
105.06992	1.7
107.04929	1.8
107.06946	0.5
107.08615	0.7
109.10165	0.8
111.04449	0.7
114.18879	0.6
115.05432	0.5
119.04978	0.6
121.06482	0.8
131.04892	1.9
133.10040	0.7
137.05956	1.5
137.09589	0.7
141.07002	0.6
145.06458	0.9
145.10104	0.5
147.04379	1.3
147.06387	0.6
156.05647	0.7
157.06415	0.9
158.80363	0.6
159.08000	1.0
165.06952	2.0
166.07768	0.8
167.07053	1.7
167.08577	0.5
175.07430	1.3
178.07729	2.9
179.08501	1.6
181.06404	2.6
187.07489	0.7
189.06961	1.2
190.07742	1.2
191.08533	1.7
193.06383	1.1
193.10100	0.7
194.07271	2.9
195.07979	2.5
196.08733	0.9
202.07739	0.5
203.08589	0.9
203.17873	0.7
205.06409	2.5
206.07275	4.1
207.08035	4.0
208.08836	0.9
209.05998	1.8
209.09604	1.7
210.06702	0.8
215.08548	1.3
217.06502	0.8
217.08452	0.7
218.07196	2.2
219.08020	2.3
219.09943	0.6
220.05309	0.5
220.08772	1.0
221.06000	3.7
221.09601	2.0
222.06711	5.7
222.10297	0.6
223.07465	4.4
224.08311	4.4
231.08005	1.2
232.08781	2.1
233.06035	1.2
233.09575	2.6
234.06725	4.6
234.10350	1.2
235.07469	6.1
236.08308	5.5
237.05452	2.7
237.09029	3.6
238.06079	1.4
238.09825	1.4
239.07031	1.1
239.10677	0.7
246.06732	0.8
247.07472	1.7
248.08281	1.7
249.05270	1.8
249.09087	17.6
250.06186	3.8
250.09839	4.9
251.06929	4.2
251.10393	0.9
252.07774	12.2
253.08446	2.7
259.07669	0.7
260.08264	1.1
261.09036	2.1
263.07016	3.8
263.09958	0.8
264.07767	6.0
265.05017	2.5
265.08545	19.8
266.06131	0.8
266.09274	12.2
267.10022	2.2
268.07416	0.6
268.10831	0.6
269.08035	1.1
275.10474	0.7
277.08615	5.3
278.06628	0.6
278.09229	3.5
279.06473	1.9
279.09933	1.1
280.07260	12.9
280.10538	0.8
281.07968	7.1
282.08472	0.6
283.09659	0.8
293.08054	3.6
293.11661	14.2
294.08740	1.4
294.12137	1.8
295.09619	5.7
296.10388	13.1
297.07599	0.8
297.11020	1.5
307.09439	1.1
309.11127	3.0
310.11844	1.4
311.12698	9.8
312.09647	0.6
312.13049	1.3
313.10397	1.0
321.11240	6.1
323.09396	0.6
324.09848	2.6
325.10596	1.7
325.14047	0.6
327.12198	0.7
339.12216	100.0
340.12695	11.7
353.13831	1.7
371.14856	32.6
372.15207	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14970	1.9
55.01854	2.8
62.96532	1.8
69.03415	2.1
70.06576	4.2
70.89440	1.9
71.05003	3.4
71.42291	2.2
78.56279	1.9
79.05482	11.4
81.07069	4.8
82.19140	1.8
83.04978	2.6
85.02879	2.7
91.05457	10.2
94.04184	4.9
95.04971	4.1
107.04945	20.4
109.06525	4.0
115.05446	6.1
116.06210	4.0
117.06976	3.6
119.04918	3.7
121.06446	2.4
122.03635	9.4
123.04447	4.6
124.05196	3.9
125.05962	3.6
125.69104	1.9
128.06206	7.4
129.06985	14.6
130.08682	2.5
131.04910	4.0
131.08557	13.2
132.05766	2.2
133.02788	3.5
137.05960	100.0
138.06331	2.3
141.07021	3.8
144.05675	10.6
145.06470	6.2
149.05975	4.9
151.03853	3.9
151.07512	4.1
153.05490	2.5
156.05684	23.6
157.06503	12.9
157.98050	1.9
158.07225	2.9
159.08018	23.2
160.05199	5.3
161.05956	4.4
162.27661	2.1
163.03893	5.2
165.06956	3.6
167.07019	50.9
167.37303	2.1
169.06445	3.0
172.05174	5.1
173.05945	2.9
174.06763	6.4
175.07498	14.5
177.05409	10.6
178.07695	2.8
179.07112	2.8
180.05733	3.4
181.06493	3.8
181.08604	2.9
184.05180	8.1
186.06766	5.6
187.07504	26.4
189.05449	2.7
189.07011	4.3
189.09087	11.2
190.07826	6.4
191.06958	3.0
191.08546	3.3
195.06505	2.6
197.06010	2.3
198.06601	3.1
201.09129	2.7
202.06232	11.1
202.07860	3.5
203.08592	6.2
205.08614	8.1
206.07291	7.5
206.09122	2.3
207.08142	3.4
209.07994	3.6
211.07552	2.9
215.06856	4.4
215.08678	4.7
217.06529	3.4
217.08556	73.0
218.07149	16.4
218.09029	2.4
219.08145	10.1
219.10019	3.7
220.08777	2.6
221.09654	5.2
223.07477	3.8
224.04709	2.3
224.08293	2.9
226.06270	4.3
227.07048	2.2
231.07916	10.1
232.08931	3.9
233.09610	17.3
234.06725	8.7
235.07466	10.7
236.08272	2.7
237.05449	2.7
238.09961	2.8
239.06854	9.9
241.08612	17.7
242.05617	3.3
243.08195	3.0
245.05977	3.2
246.06728	8.0
247.07431	5.5
247.09630	42.8
248.08232	3.9
249.09103	18.8
250.09752	7.4
251.07014	6.8
251.10683	3.3
252.07840	9.3
257.08023	2.8
260.08456	2.8
261.09070	32.0
262.06268	3.6
262.09598	4.5
263.07016	15.0
263.10690	3.2
264.07874	3.5
265.08472	3.1
266.09326	6.8
267.09985	2.8
269.08041	11.9
271.05972	5.6
275.07104	2.6
276.07758	3.9
277.08551	19.1
278.09262	18.4
279.06589	3.7
279.10043	4.8
280.07452	3.5
281.11789	7.4
281.86945	2.5
285.07544	26.3
286.08289	4.5
286.49268	2.1
289.08591	9.2
290.09137	4.4
291.06686	3.1
291.10156	4.5
292.07397	2.3
292.10776	4.2
293.08652	3.8
293.11609	20.7
294.08752	5.0
295.09384	3.1
297.07358	2.2
298.08234	5.0
300.09897	33.0
301.10553	24.3
305.08087	3.7
306.08875	9.8
307.09549	10.3
308.10489	2.3
309.11157	20.9
309.39145	2.5
310.11771	2.9
311.09033	4.5
313.10596	10.3
321.11166	44.7
322.11719	7.9
323.09079	8.1
323.77841	2.1
326.11484	13.3
327.12106	4.8
334.10120	2.2
338.11420	10.4
339.12079	4.0
341.13797	9.1
353.13754	64.7
353.43631	2.7
354.13974	4.5
355.07706	2.4
371.16858	46.1
372.16049	2.8
387.18091	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01858	2.2
55.05499	19.6
57.03415	2.3
57.07059	4.3
65.03921	1.5
65.06959	1.4
67.05501	3.8
69.03417	4.9
69.07059	5.4
69.12341	4.9
69.12761	4.9
70.06589	5.1
70.46272	1.3
71.04991	3.8
75.17338	1.4
79.05474	14.4
80.24387	1.3
81.03407	2.2
81.07054	4.0
82.06553	6.9
83.04968	12.4
83.08590	11.7
84.08121	3.4
85.02909	4.7
85.06525	1.8
86.09702	6.4
89.30424	1.3
91.05446	10.2
93.07034	2.9
94.04170	5.9
95.04957	6.0
95.08572	2.3
97.02884	2.9
97.06562	2.1
98.09700	2.6
100.07596	22.5
100.11240	37.1
103.05432	2.3
105.04554	1.6
105.07012	2.5
107.04932	18.7
107.08579	3.6
109.06509	4.4
110.06014	2.0
111.04427	24.7
111.05158	2.0
112.07616	6.2
115.05453	3.6
117.06962	1.6
119.04948	2.8
119.08596	1.6
122.03661	8.3
123.04477	1.9
124.05235	3.7
125.06044	1.5
126.09130	3.2
128.06198	4.7
128.07086	20.2
129.06979	11.4
130.08658	2.2
131.04926	3.0
131.08530	8.3
133.10150	2.5
135.11638	2.8
137.05951	78.2
138.06363	1.7
140.07063	5.5
141.07002	4.2
144.05659	6.8
145.06494	4.0
145.08582	1.7
146.08916	1.9
147.11667	1.6
149.05968	1.9
151.03906	2.3
151.07574	2.7
152.04723	2.5
153.05573	1.9
153.06946	1.8
153.09140	4.0
156.05684	19.4
157.06488	9.0
158.07265	2.2
159.08040	11.4
160.05164	1.9
165.05400	1.3
167.07013	35.8
169.07658	2.0
172.05215	3.5
173.05927	2.6
173.13261	2.2
174.06772	6.0
175.07568	5.9
177.05510	1.6
178.07811	2.7
180.35513	1.5
180.47896	1.4
181.04959	2.3
181.06451	1.7
181.08624	2.2
182.15379	51.3
183.15814	2.3
184.05165	2.5
187.07486	14.3
189.07071	3.0
189.09132	9.5
190.07756	4.7
191.14235	3.4
193.10097	1.8
195.08080	2.1
201.09250	1.9
201.38422	1.4
202.06281	5.0
202.07861	2.1
203.08546	8.5
204.09538	2.2
205.06657	2.3
205.08488	1.8
205.10156	3.4
206.07283	6.1
207.08130	2.9
209.06119	1.5
209.15205	3.8
209.16721	4.8
210.14853	62.9
211.07591	2.0
215.06859	3.1
215.08643	4.9
217.06575	2.2
217.08545	42.6
218.07185	10.7
219.08022	6.0
219.09930	1.8
220.08774	1.4
221.09625	8.1
223.07518	3.1
224.08234	1.5
226.06210	2.3
227.17488	16.2
227.19202	1.4
228.16000	4.1
231.08136	4.5
232.08891	4.6
233.05960	1.8
233.09514	11.8
234.06787	6.5
235.07457	12.0
237.09206	2.6
238.10014	3.5
239.07091	2.9
241.08499	7.1
243.08107	2.1
244.20184	12.9
246.06758	6.3
247.07478	5.6
247.09735	12.1
248.08383	3.5
249.09026	14.3
250.09853	4.2
251.07034	4.6
252.07851	3.9
260.08337	3.9
261.09064	19.4
262.06412	2.4
262.09827	3.9
263.07101	10.8
263.10599	2.4
264.07809	3.8
265.08691	3.7
266.09424	5.1
267.10214	3.2
269.08002	4.0
273.61758	1.4
275.07108	2.1
275.10501	2.1
276.07794	2.1
277.08545	12.2
278.09167	12.3
279.06525	3.4
279.10040	3.8
280.07373	2.3
280.10699	2.1
281.11777	4.5
283.09491	2.8
285.07159	6.6
289.08585	5.9
290.09375	2.3
291.06567	1.9
291.10172	1.9
293.08099	3.9
293.11777	9.7
294.08902	3.9
295.09378	2.7
300.09787	7.2
301.10809	4.6
305.08020	2.2
306.08810	6.6
307.09753	5.4
308.07019	3.4
308.10336	2.3
309.11072	13.8
310.12024	2.1
311.09015	3.7
313.10818	3.0
321.11130	18.2
322.11862	2.3
323.08945	8.0
326.11392	9.4
327.12085	2.7
336.22821	7.3
337.21124	26.4
338.11591	4.3
341.13928	5.6
353.13785	38.0
353.17853	2.6
353.25473	1.6
354.14514	4.3
354.23792	33.8
371.16769	100.0
371.26364	18.2
372.17123	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	371.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
55.05507	4.8
57.07097	1.8
67.05492	3.8
71.08614	3.0
73.75632	1.7
76.02013	1.9
79.05490	14.1
79.18563	1.8
81.07045	20.6
83.04987	3.0
91.05453	11.9
93.07008	2.5
94.04182	2.2
95.04968	5.1
95.08599	4.2
101.06002	3.4
103.05460	5.1
105.07014	4.8
105.26475	1.8
107.04945	16.5
107.08649	1.9
108.87810	1.7
109.06516	4.3
111.04432	6.8
115.05455	8.1
116.06221	3.4
117.06993	3.7
118.05133	1.8
119.08592	2.4
122.03635	8.6
123.04427	3.6
124.05215	2.7
125.05964	2.0
128.06247	3.9
129.06975	13.8
131.04941	7.8
131.08562	8.5
133.02892	3.2
133.06496	2.9
137.05959	100.0
138.06349	2.4
141.06996	5.1
143.72989	1.8
144.05714	9.0
145.06496	9.3
145.08568	2.2
147.06543	3.6
149.05997	3.0
151.03879	7.1
151.07545	4.1
153.05481	2.2
156.05670	21.6
157.06465	10.6
158.07256	3.6
159.08032	18.0
160.05214	2.6
161.05995	5.1
162.03123	2.0
163.07552	3.4
165.05527	3.6
165.06935	2.4
167.07028	37.8
168.07358	3.1
169.06421	3.6
169.07639	3.6
172.05197	2.3
173.05991	4.1
174.06786	4.8
175.07541	11.6
177.05473	9.6
178.07785	3.7
181.04994	3.1
181.06499	5.2
184.05200	5.9
186.06778	4.0
187.07512	23.0
189.09116	7.6
190.07710	5.3
191.08485	2.4
193.08586	2.5
195.06540	2.8
197.05954	2.7
202.06247	7.2
202.07906	3.9
203.06833	2.8
203.08563	7.3
205.04848	2.4
205.06606	3.8
205.08569	4.6
206.07242	4.6
207.07967	5.6
209.05997	3.8
211.07495	4.8
214.06378	2.4
215.06871	4.3
215.08630	6.0
217.06429	3.2
217.08553	65.1
218.07179	9.6
218.09094	2.3
219.08038	6.9
219.10075	3.6
221.09666	8.8
223.07486	5.2
224.08292	2.3
225.05424	3.0
226.06154	5.5
231.08061	7.2
232.08742	6.5
233.05969	2.5
233.09595	12.8
234.06786	11.2
235.07426	11.4
237.05417	3.5
238.09903	3.6
239.06967	13.1
239.19989	4.8
241.08516	18.8
242.05746	5.2
246.06700	4.6
247.07426	6.8
247.09676	30.1
248.08083	4.3
249.09074	20.7
250.06644	2.0
250.09891	5.3
251.07072	7.4
251.10658	3.9
252.07782	10.1
255.06442	2.6
257.08136	3.9
260.08356	9.6
261.09030	28.7
262.06271	4.4
262.09702	2.5
263.07013	14.0
263.10510	4.5
264.07703	4.3
265.08612	5.6
266.09351	5.7
269.08060	8.7
270.08774	3.0
271.05988	6.2
276.07690	2.4
277.08539	18.9
278.09393	11.5
279.06458	4.6
279.10083	7.6
280.07135	5.4
281.08188	3.8
281.11685	9.8
283.05954	2.7
283.09445	2.4
285.07504	33.7
286.08038	2.6
289.08627	7.8
290.09372	2.2
291.06631	3.3
291.10144	4.3
292.07169	2.1
293.08206	6.0
293.11700	17.7
294.08716	6.6
294.11893	2.9
295.09586	6.3
298.08359	2.3
300.09866	30.3
301.10626	16.2
305.08081	2.3
306.08759	4.5
307.09656	8.0
309.08023	3.0
309.11124	14.9
311.09064	5.8
311.12482	3.5
313.10721	9.9
321.11172	29.4
322.11746	6.2
323.08975	11.4
325.10617	3.1
326.11298	11.7
327.12378	6.1
338.11340	5.2
339.12238	9.9
341.10107	3.6
341.13760	8.2
343.11600	2.1
343.15433	3.1
353.09918	2.9
353.13785	52.8
354.13861	3.1
371.14844	30.6
372.14874	6.5
389.25296	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03941	2.7
55.05493	2.9
65.03938	2.4
67.05506	3.1
69.03408	4.0
69.07049	3.4
69.25384	8.7
71.04987	4.0
72.13975	2.3
79.05476	15.4
81.03429	2.2
81.07064	4.8
83.04934	2.8
83.08589	2.7
85.02880	4.2
85.06536	3.0
91.05453	13.9
93.07007	4.4
94.04135	5.0
95.04945	8.2
97.02876	2.4
101.06029	3.0
103.05454	4.6
105.07035	5.7
106.56403	2.1
106.57153	2.6
107.04941	42.6
107.08566	6.4
109.06502	5.2
109.10114	2.9
111.04415	3.4
115.05427	6.0
117.06970	3.4
119.04915	4.7
119.08549	3.1
121.06502	2.9
122.03638	8.9
123.04412	5.7
124.05193	3.5
125.05971	4.3
128.06206	11.3
129.05449	4.5
129.06975	16.4
130.07758	2.2
131.04942	7.7
131.08533	10.7
132.05676	4.1
133.02859	3.4
133.06488	3.3
133.10069	3.4
137.05957	100.0
138.06305	4.1
139.03865	3.4
141.06998	8.1
144.05707	10.0
145.02745	3.0
145.06476	8.3
147.04395	7.2
147.06404	4.6
149.05956	7.6
151.03923	11.2
151.07513	8.8
151.11200	5.5
153.05441	3.6
156.05670	27.5
157.06464	12.6
158.07217	3.4
159.08052	27.6
160.05219	3.3
161.05928	5.8
163.03853	10.7
163.07433	3.4
165.05476	5.1
165.06912	3.5
167.07028	66.1
167.08470	3.1
169.06361	4.3
169.07632	3.7
172.05217	9.7
173.05894	2.8
174.06738	7.9
175.07530	17.5
177.05513	13.9
178.07770	7.3
179.07008	6.0
179.08470	2.5
181.04926	9.3
181.06403	4.8
184.05223	6.2
185.04234	3.7
186.06738	4.2
187.07521	26.8
189.05406	3.0
189.07040	5.9
189.09105	9.3
190.07738	5.6
191.06909	5.1
191.08482	4.7
194.07274	7.2
195.08067	3.5
198.06784	3.5
201.09018	2.6
202.06229	8.6
202.07851	4.2
203.05185	3.5
203.08519	8.0
205.06512	6.0
205.08382	4.3
206.07243	5.2
207.08031	6.8
207.10243	2.1
209.05975	4.6
209.07892	4.1
209.11459	13.6
209.15259	5.4
210.06725	2.4
211.07416	4.8
215.06825	4.8
215.08694	5.6
217.08565	72.5
218.07222	14.9
219.08191	11.3
219.10039	4.4
220.08862	3.3
221.06038	5.1
221.09531	7.0
222.06657	6.7
223.07462	6.2
224.04706	2.4
224.08287	9.3
225.05424	3.1
225.08965	3.3
226.06195	10.1
231.08028	7.8
232.08821	5.8
233.05942	4.6
233.09583	19.9
234.06746	14.5
235.07506	26.3
236.08186	7.5
237.05351	5.6
237.09047	7.3
238.09767	4.6
239.06982	12.9
239.10545	3.8
240.07799	6.9
241.08565	24.1
246.06699	7.4
247.07431	7.5
247.09621	37.9
248.08232	6.5
249.09050	30.9
250.06190	4.9
250.09819	6.8
251.07014	9.8
251.10562	4.0
252.07707	14.1
253.08583	5.3
255.06564	4.5
259.07553	4.2
260.08255	5.6
261.09097	30.3
262.06412	4.5
262.09470	4.5
263.07001	19.6
263.10602	4.4
264.07800	9.6
265.04938	2.8
265.08502	14.6
265.11121	2.6
266.09357	11.3
267.06647	2.4
267.10049	12.6
268.07278	6.7
269.08044	16.1
271.05994	3.4
274.06055	2.5
276.07822	3.0
277.08551	25.4
278.06396	3.4
278.09207	19.6
279.06567	6.7
279.10025	7.5
280.07388	12.6
280.10349	2.6
281.08026	10.7
281.11642	10.2
283.09668	17.9
284.09879	2.4
285.07431	17.0
286.08347	5.5
287.09131	6.7
289.08527	11.1
290.09372	4.2
291.06528	4.5
291.10074	6.8
292.07047	4.4
292.10770	3.3
293.07950	8.9
293.11649	30.4
294.08762	6.7
294.12003	3.8
295.09631	18.0
296.10321	10.7
297.07611	2.7
297.11047	4.5
298.08002	3.0
300.09906	25.5
301.10718	21.1
306.08939	9.0
307.09561	9.8
309.11157	20.1
310.11850	6.8
311.09067	6.4
311.12708	16.0
313.10614	20.5
321.11163	50.6
322.11792	5.0
323.09006	6.9
323.12726	2.9
325.10385	5.3
326.11310	11.7
327.12039	5.5
328.12949	37.2
329.13339	4.1
338.11401	7.7
339.08594	2.9
339.12210	72.5
340.12805	9.5
341.13907	10.9
353.13791	70.3
354.14169	5.1
371.10129	4.5
371.10928	2.3
371.14740	59.8
371.23965	4.4
372.15244	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.8
55.18623	5.9
55.45210	5.6
67.05497	6.8
69.35345	22.8
78.16157	5.6
79.05479	10.8
81.07043	12.0
82.79409	5.3
91.05434	13.3
95.05007	11.1
95.08609	9.1
101.06034	11.3
104.16340	5.5
107.04942	23.6
109.10220	6.5
111.04425	7.0
122.03679	6.6
123.04362	7.4
128.06281	6.8
129.05469	12.9
129.06985	25.6
130.46107	5.4
131.04881	10.7
131.08554	13.3
137.05983	100.0
141.07007	8.3
144.05667	15.5
145.06496	7.1
147.06506	6.6
151.03864	6.9
156.05682	29.9
157.06448	9.2
159.08066	29.4
167.07022	91.1
170.12714	5.6
174.06778	9.2
175.07501	23.8
177.05524	8.3
178.07947	6.2
186.06741	7.6
187.07591	29.2
187.09113	6.0
189.09045	8.7
191.07030	12.9
202.06288	7.4
203.08572	9.9
205.06616	8.4
206.07303	7.2
207.08121	8.0
215.07002	14.4
217.06612	10.7
217.08553	87.2
218.07297	19.5
219.07990	9.9
226.06157	9.1
231.08064	9.8
233.09544	18.6
234.06747	12.6
235.07462	12.7
239.07053	12.5
241.08554	19.5
247.07489	7.5
247.09673	41.6
249.09091	19.3
250.09644	10.0
252.07747	15.9
257.08234	8.3
260.08310	7.5
261.09015	31.8
262.09741	5.9
263.07086	14.8
266.09262	8.2
269.08051	12.2
277.08609	29.6
278.09137	11.4
281.11905	9.8
285.07434	37.0
286.08273	8.9
289.08466	10.7
291.09894	7.6
293.11664	27.1
294.11877	8.3
300.09998	37.9
301.10605	20.3
306.08737	9.2
307.09644	13.3
309.11212	28.6
313.10541	11.3
321.11179	49.0
322.11792	11.0
323.09406	6.9
326.11383	19.4
338.11249	12.7
339.12280	15.5
341.13705	22.0
353.13803	63.8
371.14810	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	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.05493	2.9
65.03938	2.4
67.05506	3.1
69.03408	4.0
69.07049	3.4
69.25384	8.7
71.04987	4.0
72.13975	2.3
79.05476	15.4
81.03429	2.2
81.07064	4.8
83.04934	2.8
83.08589	2.7
85.02880	4.2
85.06536	3.0
91.05453	13.9
93.07007	4.4
94.04135	5.0
95.04945	8.2
97.02876	2.4
101.06029	3.0
103.05454	4.6
105.07035	5.7
106.56403	2.1
106.57153	2.6
107.04941	42.6
107.08566	6.4
109.06502	5.2
109.10114	2.9
111.04415	3.4
115.05427	6.0
117.06970	3.4
119.04915	4.7
119.08549	3.1
121.06502	2.9
122.03638	8.9
123.04412	5.7
124.05193	3.5
125.05971	4.3
128.06206	11.3
129.05449	4.5
129.06975	16.4
130.07758	2.2
131.04942	7.7
131.08533	10.7
132.05676	4.1
133.02859	3.4
133.06488	3.3
133.10069	3.4
137.05957	100.0
138.06305	4.1
139.03865	3.4
141.06998	8.1
144.05707	10.0
145.02745	3.0
145.06476	8.3
147.04395	7.2
147.06404	4.6
149.05956	7.6
151.03923	11.2
151.07513	8.8
151.11200	5.5
153.05441	3.6
156.05670	27.5
157.06464	12.6
158.07217	3.4
159.08052	27.6
160.05219	3.3
161.05928	5.8
163.03853	10.7
163.07433	3.4
165.05476	5.1
165.06912	3.5
167.07028	66.1
167.08470	3.1
169.06361	4.3
169.07632	3.7
172.05217	9.7
173.05894	2.8
174.06738	7.9
175.07530	17.5
177.05513	13.9
178.07770	7.3
179.07008	6.0
179.08470	2.5
181.04926	9.3
181.06403	4.8
184.05223	6.2
185.04234	3.7
186.06738	4.2
187.07521	26.8
189.05406	3.0
189.07040	5.9
189.09105	9.3
190.07738	5.6
191.06909	5.1
191.08482	4.7
194.07274	7.2
195.08067	3.5
198.06784	3.5
201.09018	2.6
202.06229	8.6
202.07851	4.2
203.05185	3.5
203.08519	8.0
205.06512	6.0
205.08382	4.3
206.07243	5.2
207.08031	6.8
207.10243	2.1
209.05975	4.6
209.07892	4.1
209.11459	13.6
209.15259	5.4
210.06725	2.4
211.07416	4.8
215.06825	4.8
215.08694	5.6
217.08565	72.5
218.07222	14.9
219.08191	11.3
219.10039	4.4
220.08862	3.3
221.06038	5.1
221.09531	7.0
222.06657	6.7
223.07462	6.2
224.04706	2.4
224.08287	9.3
225.05424	3.1
225.08965	3.3
226.06195	10.1
231.08028	7.8
232.08821	5.8
233.05942	4.6
233.09583	19.9
234.06746	14.5
235.07506	26.3
236.08186	7.5
237.05351	5.6
237.09047	7.3
238.09767	4.6
239.06982	12.9
239.10545	3.8
240.07799	6.9
241.08565	24.1
246.06699	7.4
247.07431	7.5
247.09621	37.9
248.08232	6.5
249.09050	30.9
250.06190	4.9
250.09819	6.8
251.07014	9.8
251.10562	4.0
252.07707	14.1
253.08583	5.3
255.06564	4.5
259.07553	4.2
260.08255	5.6
261.09097	30.3
262.06412	4.5
262.09470	4.5
263.07001	19.6
263.10602	4.4
264.07800	9.6
265.04938	2.8
265.08502	14.6
265.11121	2.6
266.09357	11.3
267.06647	2.4
267.10049	12.6
268.07278	6.7
269.08044	16.1
271.05994	3.4
274.06055	2.5
276.07822	3.0
277.08551	25.4
278.06396	3.4
278.09207	19.6
279.06567	6.7
279.10025	7.5
280.07388	12.6
280.10349	2.6
281.08026	10.7
281.11642	10.2
283.09668	17.9
284.09879	2.4
285.07431	17.0
286.08347	5.5
287.09131	6.7
289.08527	11.1
290.09372	4.2
291.06528	4.5
291.10074	6.8
292.07047	4.4
292.10770	3.3
293.07950	8.9
293.11649	30.4
294.08762	6.7
294.12003	3.8
295.09631	18.0
296.10321	10.7
297.07611	2.7
297.11047	4.5
298.08002	3.0
300.09906	25.5
301.10718	21.1
306.08939	9.0
307.09561	9.8
309.11157	20.1
310.11850	6.8
311.09067	6.4
311.12708	16.0
313.10614	20.5
321.11163	50.6
322.11792	5.0
323.09006	6.9
323.12726	2.9
325.10385	5.3
326.11310	11.7
327.12039	5.5
328.12949	37.2
329.13339	4.1
338.11401	7.7
339.08594	2.9
339.12210	72.5
340.12805	9.5
341.13907	10.9
353.13791	70.3
354.14169	5.1
371.10129	4.5
371.10928	2.3
371.14740	59.8
371.23965	4.4
372.15244	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	371.1669
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
57.03429	0.7
59.13861	0.4
61.02914	0.9
69.03413	2.4
69.60059	0.8
69.60374	0.6
71.04971	1.9
72.05318	0.6
81.03414	0.7
85.02900	6.2
90.90018	0.5
92.95756	0.4
97.02905	0.6
127.03910	1.1
127.07584	1.0
128.07887	0.6
130.50922	0.4
137.05931	0.7
145.04945	0.4
145.08589	3.8
146.08900	3.9
147.66763	0.5
163.03868	5.8
177.05421	0.6
189.09158	0.6
192.04147	2.2
192.09531	0.7
203.05167	0.7
209.04427	20.4
210.04767	0.8
247.42207	0.4
371.16721	100.0
372.17114	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	371.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64319	0.5
54.59699	0.5
55.05503	5.5
57.07062	1.8
64.36752	0.5
65.03915	0.6
67.05489	0.8
69.03412	2.2
69.07061	1.9
69.44900	2.5
70.06588	2.7
71.04984	1.2
71.15143	0.6
72.08141	1.7
79.05474	4.2
81.03414	0.7
81.07046	2.4
82.06555	2.0
83.04964	4.9
83.08620	3.4
84.08112	1.1
85.02905	2.0
85.06516	0.8
86.09676	3.8
91.05468	2.7
93.07064	1.1
94.04178	1.8
94.18170	0.6
95.04974	2.1
95.08617	1.0
97.02850	1.6
97.06521	1.6
98.09686	1.3
98.23497	0.7
99.04448	0.6
99.07411	0.6
100.07606	6.0
100.11236	11.1
101.05988	0.6
103.05466	0.7
103.42802	0.8
105.07014	1.1
107.04935	6.4
107.08636	1.4
109.06499	2.5
109.10143	0.7
111.04414	8.1
111.08116	0.6
112.07597	1.2
115.05425	1.5
116.06298	0.7
116.07079	1.2
119.04942	0.7
119.08569	1.2
121.10117	1.1
122.03624	2.8
123.04494	0.7
123.08009	0.8
124.05173	1.0
126.09123	1.1
127.03908	1.4
128.06216	1.8
128.07063	6.4
129.05492	1.3
129.06972	5.4
129.10225	1.0
130.08644	1.5
131.04959	1.7
131.08575	2.7
133.10115	0.9
137.05951	29.5
138.06285	0.8
139.11189	0.8
140.07086	1.9
141.07016	1.4
144.05684	2.0
145.06459	1.6
145.08623	1.0
145.10117	0.6
146.08958	1.0
147.06520	0.6
147.11676	0.8
149.05962	0.6
151.03874	1.1
151.07486	1.1
153.09058	1.2
156.05653	6.2
157.06480	3.3
158.07190	0.9
159.07979	3.4
160.05176	0.8
161.05956	1.3
161.09526	0.5
162.36086	0.6
163.07550	0.8
165.05458	0.9
167.07005	14.9
169.06401	0.9
172.05168	1.3
173.13284	1.0
174.06757	2.7
175.07526	2.3
175.11128	0.7
177.05469	1.1
178.07739	0.7
179.07092	0.7
182.15376	13.3
184.05150	0.9
185.06003	1.0
187.07504	6.9
189.07100	1.2
189.09094	3.9
190.06093	0.7
190.07747	1.4
191.08592	1.3
191.14270	1.6
195.08054	0.7
199.07498	0.9
201.09109	0.8
202.06181	1.6
202.07893	1.3
203.05273	1.1
203.08566	2.1
203.31714	0.6
205.06670	0.8
205.08499	1.1
206.07285	1.1
207.08113	1.1
209.08076	0.8
209.15381	2.3
210.14864	18.6
215.08658	1.2
217.06621	0.9
217.08554	16.3
218.07260	3.7
218.09058	0.9
219.07982	2.1
219.10112	1.6
220.08794	0.9
221.09625	2.7
223.07571	1.1
224.08328	0.8
227.17474	5.2
228.16025	1.1
231.08011	2.8
232.08864	1.3
233.05962	1.1
233.09557	4.3
234.06660	2.9
235.07471	4.6
236.08075	1.2
238.09883	0.9
239.06987	1.4
241.08537	2.9
244.20210	4.0
246.06821	1.6
247.07477	1.7
247.09663	4.9
248.08296	2.5
249.09056	5.9
250.09810	2.2
251.07004	1.8
252.07811	1.4
253.08244	0.7
260.08292	1.3
261.09024	7.5
262.06268	0.9
262.09653	1.0
263.07031	4.5
263.10544	1.3
264.07745	0.8
265.08386	1.0
266.09317	2.4
267.09979	1.2
269.08017	1.6
275.06982	0.9
275.10535	0.7
277.08569	5.4
278.09320	4.2
279.06726	1.2
279.09903	1.4
280.07175	0.8
281.11725	2.4
285.07233	1.7
285.09903	1.1
286.84296	0.7
289.08521	3.0
291.06607	1.1
291.09998	1.4
292.07248	0.6
293.08084	1.6
293.11728	5.3
294.08792	1.3
295.09567	1.4
300.09949	2.5
301.10703	2.1
305.07996	1.1
306.08887	2.2
307.09497	2.4
308.06717	1.2
309.11142	6.4
310.11871	0.9
311.09033	1.2
313.10687	1.1
321.11160	6.8
322.11801	1.8
323.09161	2.9
326.11322	4.8
327.12088	1.0
336.22726	1.5
337.21103	8.3
338.11481	1.8
341.13626	3.3
353.13751	16.8
354.14297	1.0
354.23843	9.6
371.16742	100.0
371.26318	6.0
372.16968	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	371.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.7
63.65134	0.5
69.03426	0.6
69.80940	1.6
93.07014	0.6
95.82300	0.5
101.05962	0.6
101.14970	0.5
103.05436	0.6
105.07066	0.9
107.04970	0.5
116.98602	0.5
119.08479	0.5
123.81363	0.5
124.03906	0.9
129.05388	0.7
137.05962	1.2
144.39223	0.5
147.06485	0.8
149.06026	0.6
149.09633	1.6
149.13437	0.5
155.40028	0.7
167.07054	1.1
187.07616	0.5
191.14250	0.7
209.15387	0.9
214.25737	0.7
249.09151	0.6
292.54657	0.5
327.21783	0.6
338.09641	0.5
339.12109	0.7
365.23840	0.6
371.16776	100.0
372.17108	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	371.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05817	0.4
51.37179	0.4
55.05487	0.8
71.13868	0.8
72.09625	0.4
75.71038	0.4
78.88792	0.4
79.05470	1.1
81.07027	1.1
83.38423	0.5
83.78864	0.4
91.05434	1.1
93.06995	0.7
95.04922	0.7
101.05971	0.8
105.06969	0.9
107.04949	0.5
107.08522	1.1
109.06447	0.6
109.10088	0.7
111.04419	0.7
114.22099	0.4
117.06935	0.5
119.56184	0.5
129.05420	0.6
131.04884	0.7
137.05908	1.2
147.12877	0.4
149.09605	0.6
151.03899	0.9
161.05986	0.8
167.07010	1.1
177.05516	0.5
185.04182	25.6
203.05293	0.7
208.82697	0.6
209.11447	60.5
210.11729	1.5
217.08534	0.5
219.08148	0.5
234.06659	0.5
249.09178	0.7
263.41788	0.5
265.08545	1.0
280.07361	0.9
291.19354	0.6
296.10413	0.5
301.10461	0.6
325.10727	0.5
339.12167	3.8
340.12964	0.7
353.13950	0.8
371.16739	100.0
372.17148	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	371.1675
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
52.29246	0.4
53.02955	0.3
64.05868	0.4
64.71033	0.4
64.72155	0.4
69.07037	0.4
69.17687	2.8
70.06571	0.7
71.04974	0.6
72.46868	0.4
79.31974	0.4
81.07061	0.8
83.04956	0.7
85.02888	0.8
85.06530	0.5
91.05470	0.5
92.05078	0.4
93.07044	0.7
95.08598	2.1
97.06544	1.2
105.07008	0.5
107.04953	0.6
107.08606	0.9
109.10133	0.4
111.04443	0.5
119.08616	0.8
121.06518	0.5
121.10135	0.8
129.05539	0.6
130.30240	0.4
131.08536	0.8
133.10124	5.4
135.08049	0.7
137.05991	2.1
147.06526	0.8
149.09598	0.7
151.11143	1.1
158.10861	0.4
161.06012	0.5
167.06984	1.0
173.13277	1.7
175.07658	0.4
191.14268	2.7
209.11499	0.9
209.15396	0.9
217.08553	0.8
234.06842	0.6
235.07538	0.5
249.09166	1.0
250.05600	0.4
252.07678	0.6
265.08508	0.9
267.71921	0.4
279.09857	0.4
280.07220	0.4
293.11734	0.8
295.09888	0.6
297.11325	0.7
339.12256	3.2
353.13840	0.9
371.16742	100.0
372.17068	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	371.1672
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
52.29911	0.5
70.59231	0.6
77.92434	0.5
81.12830	0.4
87.35139	0.4
113.20675	0.4
116.13379	0.4
124.99955	0.5
153.05428	0.5
163.03871	0.6
174.44913	0.5
181.03539	0.7
182.84261	0.4
194.02138	1.6
203.05270	0.7
209.04536	2.9
209.72774	0.4
211.53868	0.5
217.03534	0.4
222.86037	0.5
371.16714	100.0
372.16992	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	371.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.4
60.63483	0.8
67.05516	1.6
69.03415	2.0
71.43819	1.0
78.36036	0.9
79.05492	3.3
81.03365	1.0
81.07055	1.4
83.04974	1.2
85.02882	1.6
85.06538	1.6
91.05457	1.8
93.07047	1.7
94.64015	0.9
95.04964	2.1
95.08616	1.7
101.06025	1.3
103.05444	1.2
105.07024	1.8
105.66429	0.8
107.04926	1.7
107.08590	2.4
109.02927	1.6
109.06486	2.4
109.10179	1.3
111.04414	1.8
111.08109	1.6
119.08535	1.4
121.06516	1.3
122.03660	1.1
123.04430	1.6
129.05455	1.6
129.06970	1.8
131.16011	0.8
132.05838	1.2
133.10162	3.1
136.11234	1.4
137.05974	5.9
139.85760	0.9
139.92868	1.1
145.02823	1.1
147.04391	1.6
147.06548	1.2
149.06004	1.3
151.03932	1.9
159.04272	1.0
159.08076	1.0
161.05977	2.5
167.07022	4.9
167.85834	0.9
172.20372	1.0
173.13248	2.1
174.06802	1.0
175.07552	2.2
177.05519	1.9
178.07851	1.1
179.08655	1.3
185.04205	11.0
187.07512	2.2
189.07169	1.1
191.07068	1.4
191.14281	1.9
194.07434	1.0
196.82675	1.0
203.05310	3.7
203.08690	1.1
204.06488	1.2
205.04907	1.4
205.06703	1.4
207.08069	1.1
209.11462	80.0
209.15436	3.5
210.11681	2.4
211.07634	1.3
217.08627	2.4
218.07275	1.1
220.07147	1.5
221.05936	1.0
223.07623	1.5
224.08267	1.9
233.09596	0.9
234.06685	1.1
235.07498	2.2
237.05557	1.3
237.09019	1.3
240.07761	1.3
249.09142	3.6
250.06430	1.4
250.09622	0.9
252.07843	1.7
253.08530	2.1
261.09247	1.5
262.06241	1.2
263.07056	1.7
264.07745	1.6
265.08685	3.6
266.09409	1.6
267.10223	3.1
268.07535	1.1
269.08133	2.1
277.08597	2.5
278.09094	1.2
280.07385	2.9
280.74893	0.9
281.08191	2.5
283.09668	6.8
293.08096	1.9
293.11795	2.0
294.12079	1.1
295.09692	3.6
296.10303	1.7
297.11053	1.0
300.10001	1.1
307.09778	1.8
309.11301	2.0
311.12799	2.0
313.10718	3.9
321.07544	1.0
321.11182	2.9
324.38434	1.2
325.10675	1.5
328.13004	11.7
339.12201	12.1
340.12601	1.9
341.10123	1.9
353.13953	4.5
371.16763	100.0
372.17194	7.5
372.21497	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
67.05513	1.4
69.03419	2.1
70.57039	2.2
76.93906	1.1
79.05500	3.0
81.07069	2.9
82.55123	1.0
82.71695	1.1
83.05013	1.8
85.02909	2.1
91.05479	3.2
93.07049	2.3
95.04978	1.9
95.05555	1.0
101.06047	2.0
105.07059	3.3
106.33717	1.1
107.04993	1.6
107.08622	1.2
109.10146	2.0
111.04461	1.5
115.05453	1.0
119.08620	1.7
121.10160	1.5
126.61549	1.0
129.05498	2.9
129.07019	2.3
133.06572	2.3
135.11693	1.4
137.05966	6.3
146.63663	1.2
147.06578	2.3
151.03931	4.4
153.05505	1.7
157.06538	2.2
161.05994	3.4
167.07059	11.1
174.06819	1.3
175.07622	3.4
180.23038	1.2
181.05014	3.1
184.20319	1.0
185.04187	14.0
187.07626	2.8
189.09209	3.2
191.07050	2.1
191.08611	1.7
191.14326	1.3
193.08553	1.4
203.05287	3.2
203.08682	1.2
205.06601	1.3
206.07350	1.5
209.11472	19.2
209.13182	1.5
210.11868	1.2
217.08617	2.8
218.07297	2.6
219.08052	1.7
221.06322	1.3
221.08168	4.6
223.07668	1.2
224.08298	1.1
231.08167	1.4
233.09659	2.1
234.06837	2.2
235.07616	2.7
236.08421	1.1
240.08026	1.9
247.07596	1.8
248.08092	1.2
249.05684	1.1
249.09175	4.1
250.09795	1.7
251.07162	1.7
252.07739	2.4
255.24542	1.1
256.28680	1.1
261.09238	3.4
262.06363	1.3
263.07217	2.1
264.07895	1.4
265.08731	2.9
266.09619	1.5
266.58060	1.1
267.10245	1.2
273.63580	1.2
277.08633	8.5
278.09360	3.3
279.10022	1.6
281.11813	2.0
282.57925	1.0
289.08667	1.9
293.11826	3.8
294.09045	1.3
295.09766	1.8
296.10184	1.2
300.10016	2.7
307.09677	2.8
308.10632	1.1
309.11334	5.3
311.12723	2.9
311.99323	1.0
321.11368	3.9
339.12201	18.8
340.13068	1.5
341.13828	2.9
353.14105	4.5
371.16830	100.0
372.17365	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	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03936	2.0
55.05503	4.1
57.03459	1.4
57.07080	1.7
61.02913	3.3
61.77672	1.1
67.05492	4.1
69.03422	14.7
69.07048	1.8
71.04990	1.3
79.05486	16.9
81.03419	7.9
81.07034	5.0
83.04967	3.6
85.02900	25.9
91.03940	1.3
91.05471	5.0
93.07031	3.8
95.04974	11.2
95.08598	3.1
97.02875	8.2
98.22623	2.2
99.08087	1.9
101.05981	2.0
103.05439	2.1
105.03362	2.7
105.07024	7.1
107.04928	2.7
107.08561	7.4
109.02883	3.5
109.06519	5.7
109.10146	2.8
111.04391	1.9
114.17233	1.0
115.05451	1.2
119.04930	1.3
119.08581	3.2
121.06489	2.7
121.10126	12.0
122.07302	1.4
123.04430	13.6
123.08030	4.8
123.11694	3.1
127.03900	3.7
129.05476	2.6
129.06961	1.3
131.04912	3.1
131.08517	2.9
132.05733	1.4
133.02841	3.1
133.06500	2.3
133.10138	5.5
135.08058	3.1
137.05981	6.3
137.09576	11.6
137.13243	1.0
145.04927	4.8
147.04399	2.0
147.06503	3.1
147.11700	2.2
149.09593	10.2
149.13258	4.8
151.03897	7.6
151.07608	1.3
151.11172	15.9
156.05739	1.1
159.04449	5.9
160.05119	2.4
161.05959	9.2
162.03136	1.4
165.05247	1.2
165.09106	1.7
165.12740	46.8
166.13083	2.1
167.07018	6.1
173.06000	1.2
173.13228	1.9
175.07565	1.5
177.05470	6.6
178.06203	2.3
179.07034	1.5
187.07468	3.1
188.04558	1.1
189.05415	1.5
191.07013	2.3
191.14293	17.0
192.07825	3.5
203.05257	3.4
205.04912	9.4
205.06578	1.5
205.76158	1.1
206.05714	1.8
207.06503	4.9
209.06148	1.2
209.11475	10.3
209.15353	100.0
210.15694	4.6
217.08563	3.1
220.07275	40.8
221.05873	1.2
221.07954	15.7
222.08687	2.3
233.09587	1.5
235.07494	3.0
247.09599	1.8
249.09073	3.1
250.09631	1.1
251.07076	1.4
252.07733	1.9
263.07077	1.8
264.07828	2.2
265.08521	3.3
266.09247	2.6
269.08197	1.8
277.08490	2.0
277.23978	1.2
280.07364	2.0
283.09814	1.6
293.08160	1.5
293.11707	3.7
294.11911	1.1
295.09491	1.8
300.09970	2.9
307.09415	1.4
309.11050	1.3
311.12744	1.9
321.07529	1.7
321.11264	3.0
322.11786	1.2
325.10483	1.8
328.12973	1.8
339.12234	15.2
340.13028	2.2
341.10132	1.7
353.13708	2.6
371.11127	22.5
371.16333	17.7
372.11603	1.8
372.16299	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.05513	2.3
61.02914	3.6
67.05492	5.5
68.36895	2.2
69.03426	15.9
69.04369	2.3
69.07047	4.8
70.69009	4.7
79.05445	4.9
81.03414	9.1
81.07032	8.0
83.04963	4.2
85.02892	26.8
91.03929	3.1
91.05467	15.1
93.07007	4.2
95.04961	4.1
95.08596	9.4
97.02882	7.1
99.04427	4.8
103.05460	2.6
105.07018	8.2
107.04981	2.9
107.08593	16.2
109.02862	5.6
109.06472	4.1
109.10155	5.3
119.08595	4.5
121.06530	3.8
121.10098	17.5
122.07247	4.0
123.08046	7.0
123.11728	4.2
127.03844	5.2
131.04868	2.9
131.08577	3.6
133.10112	39.6
135.08037	8.3
135.11687	5.2
137.05986	5.6
137.09598	33.0
141.45284	2.6
145.04935	6.7
145.10037	3.4
147.04388	4.5
147.11670	3.6
149.09578	15.2
149.13254	11.1
151.11153	20.6
162.17715	2.7
163.14836	4.7
165.12735	45.4
173.13301	8.9
191.14302	30.9
209.15334	100.0
210.15688	4.9
249.09023	3.6
267.41068	2.4
328.12802	3.4
339.12308	6.4
343.66547	2.3
353.13687	4.3
371.16794	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.7
67.05506	4.2
69.03432	6.8
69.07053	2.9
69.99760	7.4
71.05004	4.0
78.57008	2.5
79.05482	7.1
81.07056	7.4
83.05018	4.4
85.00816	2.5
85.02890	6.7
89.06004	5.4
91.05474	6.9
93.07050	5.4
95.04953	12.5
95.08627	6.9
97.02882	4.5
99.04449	2.7
101.06006	3.9
105.07066	6.4
107.04954	5.5
107.08614	7.9
109.06530	4.2
109.10170	8.3
111.04432	2.8
112.69778	2.4
114.98732	2.5
119.08588	2.7
121.10130	5.8
129.05499	3.2
131.04938	2.9
131.08548	4.6
133.08603	4.1
133.10117	39.8
134.21564	3.0
135.08063	5.6
137.05951	16.8
137.09607	21.9
147.11739	3.0
149.09720	2.8
149.13283	3.4
153.09036	2.6
156.05748	5.1
157.06604	3.2
159.08063	2.7
165.09081	4.4
167.07068	8.8
173.13293	4.2
175.03842	2.9
175.07608	3.8
181.12279	2.9
187.07547	6.3
191.07065	3.5
191.14345	18.7
200.58580	2.8
202.20837	2.4
209.15424	9.7
217.08575	15.7
219.08017	3.6
220.07193	2.5
247.07477	2.9
247.09692	4.7
261.09216	4.9
279.09845	3.0
301.10599	2.7
309.11465	4.7
321.11343	7.3
326.11420	3.7
330.81879	3.0
339.12302	20.9
340.12732	2.6
353.13782	7.0
371.16806	100.0
372.16794	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
55.05493	1.7
57.03409	0.8
58.36656	0.6
61.02903	1.3
63.25400	0.7
67.05497	2.2
69.03412	1.9
69.07058	1.8
70.06582	0.8
71.04969	2.0
79.05480	2.1
81.03411	1.3
81.07037	2.6
83.04967	1.3
85.02886	8.1
85.06535	0.6
91.05457	2.4
93.07034	4.3
95.04935	1.4
95.08588	17.8
95.33542	0.7
97.02880	2.4
97.06518	3.9
105.06995	4.2
107.08585	5.0
109.06496	1.4
109.10128	2.9
115.07619	0.7
119.08546	1.8
121.10109	4.2
123.08055	1.0
123.11743	0.7
127.03909	1.6
129.05441	0.9
129.07013	1.2
131.08566	3.2
133.10103	37.3
134.10429	1.2
135.08014	2.2
135.11656	1.3
137.05960	1.7
137.09538	1.0
143.08557	0.9
145.10057	1.7
147.11670	1.9
149.09579	8.3
149.13246	1.9
151.11131	6.4
158.10861	1.8
163.14809	2.7
165.12798	1.3
167.07062	1.3
173.13228	12.2
179.46005	0.7
191.14270	16.1
191.15892	1.0
192.14604	1.3
208.06767	0.7
209.11427	1.1
209.15305	6.6
217.08615	1.3
239.11707	0.9
293.11700	0.8
339.12265	1.7
353.14160	1.2
371.16708	100.0
372.17001	7.2
388.94189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.05495	1.9
57.03420	2.0
61.02927	1.4
67.05495	3.8
69.03416	2.9
69.07052	1.4
69.49012	2.4
69.49400	2.7
71.04977	7.3
79.05492	1.2
81.03425	2.1
83.04955	2.2
85.02889	8.9
87.04450	1.4
89.06021	37.5
93.07043	2.0
93.32674	1.1
95.04958	100.0
96.05308	2.0
97.02889	3.0
99.04448	19.9
105.07024	1.6
107.08605	2.1
109.02923	1.5
109.06491	1.9
109.10122	2.3
111.08045	1.6
119.08621	1.4
121.10151	1.5
125.09611	2.0
127.03922	2.2
127.07553	1.4
129.38121	1.2
131.08563	1.3
133.08588	19.0
133.10139	5.1
135.08022	2.2
145.08600	5.0
146.08920	4.9
149.09694	1.7
149.13232	1.3
151.11166	1.6
153.09093	27.8
173.13188	3.3
177.11235	3.7
191.14281	11.0
202.75452	1.3
209.13344	1.6
209.15340	27.7
210.15723	1.6
254.97906	1.1
266.47000	1.4
353.19461	1.6
371.16772	6.4
371.20670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65888	8.7
55.01863	11.1
55.05514	21.3
57.07067	10.3
67.05496	25.3
69.03417	16.9
69.07061	11.4
71.04961	13.5
75.58858	7.8
79.05487	26.7
81.07059	41.6
83.39660	8.7
85.02903	26.9
87.09184	8.0
91.05474	25.3
93.07043	26.6
93.75932	8.5
95.08569	46.4
97.02886	15.5
98.23494	21.4
99.04461	9.5
101.06010	12.9
105.07020	21.8
107.04946	21.6
107.08611	31.3
109.06499	10.1
109.10130	27.9
111.04404	10.4
119.08540	16.5
121.06496	15.3
121.10150	28.0
125.09624	10.1
129.07002	12.7
131.08511	19.7
133.10138	31.4
135.08011	21.4
137.05968	62.4
137.09526	12.1
145.08598	18.2
146.08934	24.2
147.06522	10.5
147.11667	20.1
149.09610	12.4
149.13254	13.7
151.11188	38.2
156.05722	11.0
159.08067	15.2
165.12822	9.7
167.07030	45.8
173.13161	16.1
175.07533	11.0
187.07573	14.3
189.09227	9.1
191.14275	100.0
199.18085	8.4
209.11455	33.5
209.15404	35.7
217.08633	41.4
221.09683	8.8
231.08006	10.2
233.09613	10.8
235.07492	10.6
239.20085	11.1
247.09592	23.3
249.09157	15.9
251.07266	9.6
261.09152	19.7
264.07541	8.7
277.08624	13.5
278.09274	10.8
280.07010	10.3
285.07608	14.1
293.11636	13.9
295.09698	9.9
315.14297	9.0
321.11154	27.8
338.11261	13.2
339.12134	28.2
353.13843	30.9
371.15878	43.3
371.23868	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01863	4.0
55.05494	8.5
55.27978	1.4
57.03426	6.5
57.07064	4.2
59.04994	2.5
61.02924	12.7
65.03976	1.4
67.05495	7.5
69.03422	29.0
69.07047	8.6
69.83375	4.9
71.04979	5.1
73.02895	4.5
79.05474	13.8
80.79340	1.3
81.03409	12.0
81.07045	27.5
83.01317	1.9
83.04970	4.3
83.08606	5.0
85.02892	73.0
85.03409	3.5
85.06509	2.8
87.04474	3.6
89.60277	1.4
91.03948	4.1
91.05449	17.4
93.07034	24.3
95.04929	3.6
95.08575	15.5
97.02873	20.7
97.06534	2.2
99.04445	4.4
100.11264	2.2
105.07011	32.3
107.04974	2.1
107.08575	67.1
109.02879	6.5
109.06475	8.9
109.10143	6.5
111.08077	4.6
117.07017	7.0
119.08569	20.5
121.06503	3.7
121.10139	21.3
123.04392	1.8
123.08070	1.9
127.03913	13.8
129.05521	2.0
129.06990	2.8
131.08546	23.5
133.10104	60.7
134.10455	2.4
135.08058	10.1
135.11697	8.6
137.06004	2.9
137.09583	3.7
143.08553	2.5
145.04974	10.3
145.08574	1.9
145.09012	1.8
145.10086	14.0
146.09000	1.7
147.06516	2.2
147.11662	31.3
149.09589	15.1
149.13272	6.2
151.03946	2.2
153.09059	1.5
158.10896	3.8
161.13258	2.3
163.11147	2.7
163.14780	50.7
167.07042	2.7
173.13245	28.2
174.13470	2.2
182.15352	2.5
191.14273	96.1
192.14598	3.7
209.11617	2.6
209.13348	2.9
209.15332	60.5
210.15009	5.1
217.08749	1.5
371.16708	100.0
371.20416	4.0
372.16965	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	371.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34317	0.3
58.06592	0.7
61.02920	0.4
67.05491	0.3
69.03433	0.9
69.45549	1.0
71.04983	1.1
72.08154	0.3
72.18069	0.3
73.06546	0.9
78.36497	0.3
83.05006	0.3
85.02883	1.7
87.04463	4.1
89.06023	100.0
90.06365	1.1
91.07571	0.5
95.04960	13.8
96.05331	0.5
97.02891	0.5
98.22766	0.6
99.04464	2.6
107.07085	2.2
107.08615	0.3
110.82163	0.3
125.50925	0.3
127.03883	0.4
130.08649	0.8
131.07005	1.5
131.08521	0.3
133.08591	48.2
134.08919	1.1
145.04929	0.3
145.08546	0.7
146.08919	0.6
149.09578	1.2
153.09076	4.0
167.07014	0.6
173.13289	0.6
177.11208	10.3
191.14284	1.1
195.12286	0.4
209.07710	0.4
209.15340	4.4
221.13736	0.8
239.14812	0.6
280.13553	0.3
283.17581	0.4
298.55841	0.3
327.20166	0.7
371.12408	0.5
371.16641	5.3
371.22504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15248	1.6
50.73909	2.0
53.03933	2.3
55.01852	2.0
55.05260	3.0
55.05504	35.3
56.96564	3.0
57.03434	21.5
57.07069	14.2
57.42536	1.9
58.06606	2.5
59.02487	1.8
65.03932	3.8
67.05494	80.2
69.07063	30.3
70.81757	3.2
71.04976	6.4
71.08622	26.0
73.57516	1.8
79.05482	31.2
80.70908	2.0
81.07045	100.0
82.07366	4.0
83.04964	7.4
83.08610	22.1
84.89711	2.0
85.06545	5.8
85.10165	23.7
88.07617	2.3
91.05456	26.0
93.07030	32.6
95.04949	7.0
95.08589	78.1
96.08913	2.1
97.06509	3.5
97.10137	5.3
99.08077	28.7
100.54653	1.8
101.05975	3.7
105.07024	20.1
107.08572	18.5
109.06479	2.1
109.10120	23.6
111.04463	4.0
111.08047	5.9
113.09620	32.8
113.44218	1.9
114.96082	1.8
117.06971	5.7
117.53935	1.9
119.08552	16.0
121.10141	16.1
123.08042	3.5
123.11684	10.2
125.09611	2.1
129.05455	3.4
131.08536	8.8
133.10126	13.4
135.04379	2.7
135.08072	1.9
135.11653	14.8
137.13240	10.1
139.11256	2.2
141.12735	2.4
145.10100	7.4
147.06505	3.0
147.11681	19.2
149.09612	2.7
149.13239	9.7
151.11087	2.7
151.14810	3.3
153.12706	3.5
159.11632	3.9
161.13237	12.6
163.11249	3.1
163.14815	8.4
165.12738	7.7
167.14322	6.7
173.13260	5.8
179.14246	5.3
181.15820	5.1
195.13869	4.5
223.16977	3.3
233.22578	3.0
243.21053	9.2
253.18234	3.4
261.22058	14.0
279.23120	33.2
280.23660	2.6
283.09540	2.6
300.22266	2.6
322.35309	2.3
353.26859	12.4
371.27951	14.9
372.24265	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	371.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.0
55.05499	46.2
57.03428	5.0
57.07065	6.4
59.05006	1.9
59.78331	1.7
67.05492	100.0
69.03421	3.0
69.07053	48.4
71.04984	5.9
71.08622	3.0
79.05478	41.7
80.05798	2.4
81.06558	4.1
81.07041	80.7
82.03986	1.7
82.07359	2.1
82.66886	1.5
83.04965	7.2
83.08613	24.0
85.06520	5.9
87.04449	4.9
91.05447	13.4
91.05931	1.5
93.07023	33.3
95.04945	6.1
95.08587	60.7
95.39552	1.7
97.06496	11.5
97.10148	21.4
98.22694	3.6
99.08063	3.6
101.06008	4.3
105.07039	11.0
107.08564	28.7
109.06548	3.7
109.10135	47.9
110.10478	2.7
111.08085	4.9
111.11728	3.4
117.06985	5.0
119.08590	8.1
121.10112	17.8
123.08025	3.2
123.11708	12.7
125.09612	19.3
131.08536	7.8
133.10114	9.5
135.08022	5.9
135.11665	29.6
137.13232	11.5
145.10130	5.8
147.11687	6.3
149.13222	9.0
151.14735	3.1
153.12704	10.3
159.11655	5.5
161.13277	5.4
163.14877	4.9
165.12778	2.5
169.12259	2.2
171.10141	3.8
173.11728	6.8
173.13255	7.9
175.14732	3.5
177.12689	3.6
179.14259	2.9
181.12262	2.4
187.14801	5.6
189.11250	11.8
195.13809	3.3
201.16315	1.9
205.15837	2.7
205.33913	1.9
209.15343	3.4
209.29349	2.4
223.16847	2.2
227.12738	5.0
233.22549	2.7
243.21092	9.3
245.13864	3.3
261.22064	29.0
262.22473	2.2
279.23160	53.7
280.23560	3.4
283.26456	1.8
353.26791	46.7
354.26801	2.8
371.28271	4.0
372.34833	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	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.4
55.05505	23.5
56.05022	4.2
57.03432	8.3
57.07065	8.3
58.24032	1.8
67.05498	58.0
68.05826	2.2
69.07059	25.1
69.46841	7.1
71.04988	3.0
71.08623	100.0
74.06060	2.6
79.05486	26.9
81.06563	3.7
81.07047	75.5
83.04939	5.2
83.08610	19.1
84.16046	2.1
85.06544	2.2
85.10170	2.8
87.04465	4.0
88.07617	8.1
91.05460	22.5
93.07036	26.1
95.04977	3.3
95.08013	3.8
95.08598	54.9
96.08950	2.0
97.06516	8.4
97.10164	10.4
99.08081	80.9
101.05972	2.6
105.07016	21.7
107.08584	18.7
109.06465	2.5
109.10154	19.3
111.08077	5.3
113.09666	2.8
117.07000	4.0
119.08540	14.7
121.10131	20.1
123.11691	8.2
125.09631	5.9
126.96343	1.9
127.11218	4.1
129.05449	2.8
131.08563	11.1
133.10101	4.0
135.08031	2.3
135.11697	11.8
137.13216	5.8
141.12674	2.4
145.10123	7.4
147.06525	2.8
147.11674	55.0
149.09677	2.5
149.13251	7.6
151.14764	4.9
153.12744	10.0
155.76758	2.4
158.71211	1.9
159.11717	3.5
161.13283	6.1
163.11179	8.3
163.14810	17.5
165.12759	22.9
165.44617	2.3
165.56244	1.9
167.14334	4.4
173.11708	7.2
173.13258	6.8
173.17868	1.8
175.14833	2.6
177.16333	3.4
181.15881	8.8
187.14883	2.9
189.11124	2.4
209.15254	2.9
233.22606	3.7
243.21043	18.2
247.57639	2.3
255.19524	6.0
261.22101	25.4
279.23151	62.9
280.23425	3.3
324.32376	6.1
353.26782	43.2
354.27005	3.6
371.27664	5.7
372.34622	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	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.05510	18.4
57.03424	7.5
57.07076	4.8
62.48803	3.2
67.05497	48.1
69.07059	19.4
70.70367	3.2
71.04984	3.5
71.08625	100.0
79.05490	26.0
79.12102	2.6
81.06564	4.3
81.07050	72.6
83.04976	6.2
83.08631	18.4
85.06530	5.4
91.05482	22.7
93.07039	26.5
95.08602	51.9
97.06522	8.2
97.10188	9.6
99.08085	84.9
105.07027	28.5
107.08588	19.5
108.20327	2.8
109.06552	3.5
109.10190	13.5
111.08060	4.5
113.09583	3.0
117.07034	4.7
117.09191	4.6
119.08580	12.5
121.10152	19.8
123.11716	9.6
125.09639	3.8
127.11205	5.6
131.08565	12.0
133.10126	4.8
135.11690	13.0
137.13232	7.7
145.10135	8.6
147.11668	63.4
148.11996	2.9
149.09602	3.4
149.13245	5.0
149.26553	2.6
149.45589	2.7
151.14790	3.2
153.12781	13.8
159.11681	5.0
161.13268	3.2
163.11211	11.1
163.14798	27.5
163.16037	3.4
165.12729	24.7
167.14290	3.7
168.36803	2.6
170.25485	2.6
173.11717	10.9
173.13156	5.1
181.15854	11.8
187.14793	4.3
195.53467	2.4
199.13023	2.4
201.16420	2.9
202.92435	2.8
209.15549	3.1
219.04965	3.0
233.22607	3.9
243.21062	18.9
255.19574	5.8
261.22018	30.7
279.20096	3.5
279.23163	69.4
280.23465	4.6
353.26834	42.9
354.01462	3.5
354.27161	5.6
381.62985	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	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.6
55.05505	59.6
57.03425	10.8
57.07058	7.7
67.05495	100.0
69.03412	5.6
69.06705	6.2
69.07059	73.6
69.20549	6.8
69.20956	14.2
70.07372	3.5
71.04971	6.8
71.08627	13.6
79.05485	54.7
81.07047	99.6
83.04964	10.9
83.08607	39.6
85.06535	8.9
85.34657	3.1
91.05468	15.6
93.07026	49.3
95.04935	5.7
95.08590	80.0
97.06526	8.7
97.10168	34.1
99.08080	4.4
105.07022	10.9
107.08575	37.8
109.10140	52.0
111.08076	8.2
111.11697	7.9
117.06988	8.5
119.08572	10.4
121.10136	16.2
123.11670	21.5
125.09609	33.7
131.08559	5.0
133.10104	5.0
135.08083	6.5
135.11687	25.7
137.13226	10.8
145.10094	6.2
147.11612	4.7
149.09613	4.9
149.13260	11.9
151.14835	4.7
153.09041	3.5
153.12679	20.5
159.11731	8.3
161.13220	7.9
163.14803	6.7
173.11761	7.3
173.13234	9.7
181.12308	4.6
187.14772	5.4
189.11206	30.9
195.13916	5.1
205.04887	7.9
223.16853	4.3
227.12798	14.9
233.22594	4.9
243.21117	11.5
245.13831	6.4
247.05998	19.2
261.22110	28.6
279.23108	72.9
353.26822	57.4
371.18512	9.7
371.27902	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	372.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	0.5
55.58028	0.3
58.06549	0.4
60.04448	2.5
67.05426	0.8
69.03359	0.3
71.44068	0.3
71.44414	0.3
72.08083	0.3
76.61248	0.3
77.03893	0.3
79.05419	0.6
81.07005	0.6
85.02808	0.3
93.06966	0.5
95.08508	0.4
97.06461	0.4
100.82699	0.3
106.04942	0.6
107.08556	0.6
109.10107	0.5
121.10123	0.3
135.11632	0.3
136.25658	0.3
137.05899	0.4
137.09532	0.8
138.09843	0.5
145.10031	0.3
147.06491	0.3
163.11142	0.2
165.06938	0.8
165.09015	0.3
167.08444	0.4
178.07683	0.4
179.08507	0.7
181.06348	0.4
181.10042	0.3
189.06960	0.8
190.07648	0.9
191.08527	4.1
192.09192	0.5
193.09953	0.4
194.07239	1.6
195.07977	1.5
196.08661	0.6
197.09515	0.4
202.07794	0.4
203.08476	0.6
205.06458	1.1
206.07213	0.9
207.07999	3.5
208.08809	3.3
209.09593	3.0
210.06648	0.7
211.07445	1.1
211.11064	0.3
218.07274	1.2
219.08038	4.5
220.08809	6.6
221.05872	0.7
221.09561	2.9
222.06609	1.1
222.10410	0.4
223.07669	1.7
223.11124	4.8
224.08226	2.9
225.09058	1.4
226.09796	0.7
231.07916	0.6
232.08673	0.3
233.09531	3.2
234.06674	1.3
234.10199	0.7
235.07518	6.6
236.08284	16.0
237.09026	7.8
238.06087	0.4
238.09818	4.0
239.07066	2.5
239.10605	6.7
240.07686	0.5
240.10771	0.2
241.08624	0.3
241.12187	0.6
247.07544	1.8
248.08247	2.2
249.09096	3.9
249.11539	0.4
250.06143	0.4
250.09752	2.7
251.07051	1.6
251.10643	21.2
252.07741	3.4
252.11018	1.1
253.08562	1.3
254.09338	20.9
255.09799	1.6
261.09024	1.1
262.09686	0.9
263.06955	1.8
263.10648	2.5
264.07782	3.3
264.10498	0.5
265.08551	9.5
265.11075	0.5
266.05209	0.3
266.09290	4.6
267.10126	12.5
268.07190	0.4
268.10641	1.4
269.11691	29.4
270.11942	1.9
277.08582	3.2
278.09259	2.5
279.10110	41.2
280.07294	1.0
280.10495	2.3
280.13348	0.6
281.08054	2.2
281.11649	6.5
281.14612	0.5
282.08771	2.3
282.12326	1.6
283.09595	1.2
284.25720	0.4
292.10770	0.6
293.11679	1.3
294.12454	100.0
295.09665	39.0
295.12805	7.0
296.10138	4.7
296.13208	0.5
297.11169	37.3
298.11624	2.8
308.12924	2.3
308.21973	0.4
309.11075	0.4
310.11935	53.2
311.09164	1.0
311.12650	20.3
312.13501	83.9
313.14001	7.8
323.15399	2.8
324.12225	0.6
325.14294	67.1
326.11365	1.1
326.14679	5.5
339.14706	0.5
340.12253	0.5
341.13770	4.1
342.13882	0.3
354.16971	4.9
354.21616	0.4
354.22495	0.3
355.17639	2.5
372.18051	11.0
373.18463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96318	0.9
56.96560	8.6
58.06581	0.7
60.19931	0.6
67.53630	0.6
69.92072	0.6
70.04842	0.8
70.05162	1.2
80.94820	1.0
87.04443	1.3
97.02860	0.7
98.97543	1.2
99.43721	0.6
110.97576	0.9
128.98590	2.7
146.99641	2.2
153.02110	0.8
161.01234	0.7
171.03256	2.0
179.03723	0.6
183.03183	1.3
185.04802	3.8
189.04321	1.1
199.06358	4.1
203.05859	4.9
205.07426	1.0
207.06833	0.7
217.07460	6.7
219.06908	0.7
223.02652	0.8
223.08467	0.9
226.05214	1.6
237.04193	3.6
249.07861	1.1
253.11020	1.3
262.08725	1.8
267.08987	1.8
277.63110	0.6
279.09189	0.9
280.09857	2.4
281.10596	0.9
298.10828	1.6
307.15808	2.5
314.34872	0.8
325.16830	0.7
331.11691	1.1
331.15717	22.8
332.16028	1.2
343.08041	2.6
349.16818	100.0
350.17169	5.9
367.17856	3.9
372.18457	6.8
372.34677	1.6
373.12949	4.6
373.17807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45958	1.6
55.01862	7.6
57.03160	3.1
57.03419	17.9
61.02914	15.2
65.13582	1.5
66.25309	1.8
67.12287	1.4
69.03418	33.3
71.01339	5.0
73.02904	74.9
81.03404	8.4
81.38966	1.8
83.05012	1.6
85.02891	100.0
86.09704	1.5
87.04459	4.6
91.03950	4.4
97.02251	2.6
97.02878	53.3
97.36721	2.1
99.04453	2.9
101.79889	1.7
103.03928	2.9
107.04945	1.9
109.02852	10.5
111.04418	3.4
115.03913	38.0
116.98556	1.6
127.03886	29.4
133.04953	33.3
145.04942	55.4
147.04417	2.1
147.06512	2.5
150.07634	2.7
163.05983	23.9
165.05475	1.9
211.05859	4.1
222.03030	2.5
223.06015	4.9
223.11737	4.6
236.04701	2.5
240.04135	2.1
241.07094	8.0
259.08047	9.3
295.10022	3.2
295.80087	1.7
312.03928	2.2
330.05112	3.4
354.14279	1.8
372.13177	2.6
373.11066	2.6
373.14636	14.2
373.18829	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
53.04159	0.4
54.85818	0.3
55.01614	0.6
55.01866	11.4
55.05489	0.5
57.03426	1.7
59.04996	2.5
67.05475	0.4
69.03417	19.0
71.01325	0.4
71.04980	1.5
73.02896	1.5
81.02950	0.7
81.03403	8.1
83.04962	2.6
85.02890	9.3
86.09667	0.6
87.04456	7.1
95.04957	0.8
97.02879	23.9
98.22684	0.9
99.04443	3.3
101.02371	0.6
103.03893	0.5
107.04986	0.6
109.02866	4.8
111.04433	2.8
113.02391	0.6
115.03912	100.0
116.04258	1.4
123.04433	0.9
127.03899	12.3
131.04880	0.4
133.04947	0.7
135.04370	0.5
139.03947	0.4
139.34265	0.3
145.04924	0.9
149.05966	1.0
151.03908	0.6
153.05478	0.6
157.04918	2.0
159.84209	0.4
165.05490	0.6
169.04955	0.7
176.39778	0.4
177.05464	0.8
181.04884	0.6
195.06496	0.6
199.05956	2.9
211.05963	1.4
213.07602	0.5
217.07117	2.2
223.05978	3.1
229.07155	0.7
241.07053	2.6
259.08047	3.4
355.10352	1.1
373.11404	1.2
384.36362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
55.05495	1.7
56.68968	1.2
57.03427	1.4
65.03938	2.0
67.05497	5.3
69.03415	7.1
69.07056	1.9
70.06596	2.4
71.04983	2.8
71.43111	1.1
72.08160	1.6
74.17905	1.0
79.05486	5.5
81.03417	3.3
81.07032	5.6
83.04987	1.5
83.06108	2.0
83.08624	1.7
84.04500	2.7
85.02895	16.8
85.06537	1.6
86.09690	5.0
89.03903	3.6
91.05462	11.5
93.03359	1.2
93.07041	6.4
94.04162	3.1
95.04955	7.8
95.08609	7.6
97.02894	4.0
97.06518	1.3
99.04443	3.9
99.08082	38.3
102.04681	1.1
103.05467	4.1
103.23897	1.2
105.07011	5.3
107.04930	3.8
107.08551	6.5
109.02863	2.0
109.06513	3.1
109.10149	8.0
115.05447	4.4
116.21822	1.2
117.03356	8.7
117.07032	1.6
119.04942	7.2
119.08581	5.5
121.06492	4.4
121.10146	2.7
122.03636	6.0
123.04448	1.9
123.08154	2.0
124.05204	1.6
125.06011	1.6
127.03905	2.3
130.04138	3.8
131.04895	2.7
131.08607	1.3
133.02820	2.0
133.06470	3.0
133.10103	5.7
135.04404	3.1
135.08025	1.8
135.11703	4.9
137.05959	68.3
137.09602	5.1
138.06335	1.2
143.04913	3.1
145.02835	13.2
145.05087	1.3
145.06490	5.6
146.03554	1.7
147.04373	9.5
148.04874	1.4
149.05951	6.4
150.06812	3.0
151.03911	4.4
151.07555	1.8
153.05446	3.4
155.10637	3.6
158.03639	3.7
159.04343	2.3
160.05171	2.1
161.05957	7.8
162.06720	5.2
163.07516	3.1
165.05490	1.4
165.06879	1.7
173.05968	10.1
175.03938	1.6
175.07568	3.4
175.14835	4.2
177.05460	18.6
177.06940	2.6
179.03354	6.5
179.07005	2.2
181.06422	1.5
186.03116	4.0
187.03847	1.8
189.05449	1.7
189.06955	1.4
193.04950	1.7
193.15889	9.5
194.07262	2.2
201.05437	43.8
202.05698	1.6
203.07094	3.3
204.04227	3.2
205.06523	5.2
207.06479	6.5
211.13179	1.3
211.16899	15.2
217.06454	1.6
219.06430	10.6
221.05962	3.3
222.06737	2.5
223.07553	2.0
225.08969	1.9
231.06487	2.7
233.06003	4.1
234.06772	3.9
235.07364	2.1
237.09076	4.4
240.07869	1.3
245.06219	1.8
247.07515	2.2
249.05370	1.4
249.09212	1.6
250.06248	5.4
251.06956	3.7
253.08618	3.5
262.06207	2.5
263.07034	2.1
264.07776	3.0
265.08615	8.7
266.09305	1.7
267.06607	2.5
277.08624	3.6
283.09750	2.5
290.05774	1.7
292.07297	3.7
293.07843	6.7
295.06006	1.5
297.11005	2.4
305.08127	2.9
307.09488	7.6
309.11282	1.8
322.08502	1.6
323.09042	3.1
325.10641	19.1
326.11163	1.5
329.09845	1.9
337.10706	4.4
341.10190	2.1
343.11804	3.5
355.11795	3.6
373.13181	6.2
373.18280	100.0
374.18298	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	373.128
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
55.01854	2.5
55.05489	2.4
59.83463	2.1
60.72203	2.4
65.03925	4.9
67.05488	2.6
69.07069	14.8
77.44609	2.2
79.05482	3.8
81.03407	15.2
81.07047	4.0
83.04971	2.9
84.08151	2.3
91.05457	6.1
94.04173	3.2
96.02122	5.1
103.05461	5.4
105.07005	3.8
111.04415	16.6
115.05438	2.8
117.07015	6.1
121.06449	2.6
122.03646	5.1
123.04420	2.7
129.10236	3.2
131.04897	11.6
133.06519	2.9
137.05962	100.0
138.06345	5.2
139.03888	9.5
145.06494	6.1
147.04381	2.7
151.03885	25.7
151.05038	4.5
153.05458	19.6
159.04361	3.5
159.07997	4.0
160.05159	2.7
161.05963	4.7
163.07549	3.0
165.05464	5.4
165.06929	3.8
167.03372	20.0
167.07056	4.4
175.03906	2.7
175.07410	4.3
177.05463	16.9
177.09148	3.9
178.07722	2.8
181.06516	2.8
183.08092	4.2
187.07538	4.1
194.07204	5.3
195.07944	2.4
195.91336	2.5
197.34827	2.3
203.06999	3.4
205.06548	4.3
205.08592	3.7
207.06433	3.9
209.09555	4.4
211.07520	4.9
214.44270	2.2
219.06387	2.9
221.06012	3.8
222.06766	5.4
223.07556	3.6
226.06119	3.5
234.06715	2.4
237.09042	9.9
239.07132	12.2
250.06091	3.8
251.06958	3.6
252.20032	2.5
253.08601	3.4
254.09361	3.7
263.07114	3.8
265.08624	4.8
266.09094	3.4
268.07193	2.5
269.11591	4.3
281.08011	4.3
282.08926	2.5
283.09778	5.0
285.11023	2.7
297.08203	2.6
297.11139	12.4
299.09277	4.1
311.08939	4.6
313.10611	8.3
315.12225	6.3
325.10574	7.1
343.07541	4.5
343.11703	64.2
344.11993	2.8
345.13226	6.7
355.11673	2.9
373.12769	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	373.1277
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
65.03950	3.0
69.07043	3.1
69.46080	3.1
69.46423	9.5
81.03384	2.7
81.07042	3.0
86.09678	2.7
89.03910	8.1
91.05473	17.5
93.07040	3.9
94.04160	2.1
95.04954	6.1
97.67171	2.2
100.99416	2.3
103.05435	3.1
105.07001	3.4
107.04941	5.2
109.10130	2.4
115.05458	7.2
117.03363	20.0
117.07019	3.3
119.04910	11.4
121.02850	5.3
121.06477	4.1
122.03626	7.0
123.04394	2.3
124.05212	3.3
130.04123	4.8
131.04901	5.9
133.06512	3.2
135.04390	5.1
137.05960	77.3
143.04890	4.1
143.14513	2.1
145.02818	26.5
145.06517	7.7
147.04398	13.0
149.05954	10.2
150.06728	4.4
151.03854	7.3
151.07512	3.0
157.52367	2.1
158.03639	10.4
159.04306	3.6
160.05280	3.7
161.05960	7.0
162.06801	3.2
163.07498	4.6
165.05443	2.2
165.06972	3.1
167.06992	4.1
168.05191	3.1
173.05975	16.7
175.03935	6.1
175.07552	6.6
177.05472	35.8
177.06932	4.6
179.06999	2.7
180.05215	3.9
180.07793	3.8
181.04938	3.4
181.06516	3.8
186.03113	7.8
189.05409	3.5
191.07008	3.4
194.07208	5.8
195.08069	3.2
201.05441	100.0
202.05922	4.0
203.07062	2.9
204.54904	2.2
205.06528	7.8
207.06433	3.9
207.08133	3.6
211.07535	4.0
213.05499	3.4
219.06400	13.8
221.05882	4.9
222.06659	5.4
223.07567	4.7
225.08987	4.1
227.06902	4.0
233.05934	7.6
234.06682	6.3
235.07486	3.2
236.08321	2.8
237.09071	10.3
239.07036	7.0
249.05524	2.5
249.09003	3.5
249.49641	2.3
250.06235	6.2
251.06924	4.1
252.07712	6.1
253.08601	9.4
254.09293	3.1
254.12532	4.9
262.06232	5.3
264.07684	2.8
265.08560	17.0
266.09116	2.6
267.06314	3.3
267.10184	3.4
277.08463	6.9
278.05673	4.2
279.06534	3.2
281.08133	4.2
283.09811	7.1
292.07199	4.9
293.07849	12.2
294.08502	2.3
295.09592	5.3
297.11197	6.0
305.08063	6.0
307.09668	16.9
310.08231	2.9
313.10626	9.5
323.08997	3.5
325.10690	28.0
327.12460	2.7
337.10681	7.9
341.10135	13.1
343.11462	2.9
345.13193	2.2
355.11600	13.2
373.12787	10.7
373.18008	6.6
374.14529	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	373.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.1
69.03423	1.8
69.09571	1.0
70.06565	1.9
71.04942	0.9
72.08141	1.9
79.05486	0.9
84.08136	1.7
85.02887	1.9
86.09681	2.4
89.03915	0.8
97.02836	1.0
117.03374	2.2
119.04921	1.1
121.06355	0.9
123.04414	3.4
129.10196	1.4
135.04411	1.1
137.05952	4.6
145.02863	5.2
149.05943	1.6
161.05948	1.9
163.03908	1.1
177.05431	10.1
178.47049	0.8
185.04167	6.9
185.05577	1.1
185.18575	0.9
193.06656	0.9
193.08354	3.7
195.06537	2.4
201.05458	2.1
211.09395	100.0
212.09703	4.2
239.04033	1.8
253.08536	2.9
258.63159	0.9
265.08795	1.0
285.11426	1.5
341.10330	1.2
355.13446	2.1
373.14572	65.0
373.18008	5.3
374.14856	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	373.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01849	0.7
55.05496	3.4
65.03928	1.7
67.05495	46.9
67.47673	0.6
68.05825	1.0
69.07050	3.7
70.01160	1.3
70.01505	0.8
79.05489	6.1
81.06560	0.9
81.07046	15.7
82.07375	0.7
83.05011	0.7
91.05470	2.9
93.03429	0.6
93.07059	3.0
95.04957	2.8
95.08582	3.6
99.43992	0.7
105.03384	1.1
105.07035	1.7
107.04933	2.6
107.08560	3.9
109.06491	1.8
109.10140	100.0
110.10480	1.8
117.03354	0.9
119.04947	0.9
119.08579	0.9
121.06507	0.7
121.10146	4.0
123.04411	2.8
123.11692	1.9
123.14758	0.7
125.32966	0.6
128.06209	0.7
129.79500	0.6
133.02832	0.9
133.10100	1.1
135.04402	7.5
135.11780	0.6
136.05220	1.4
137.02356	0.8
137.05917	1.3
141.78078	0.6
145.06412	0.9
147.04424	1.6
149.05931	1.0
150.03094	0.8
151.03865	2.2
159.04391	0.6
163.03899	20.4
164.04671	2.9
165.05457	19.9
167.07001	0.7
169.06418	1.0
173.02342	1.2
177.05492	1.4
179.03403	1.8
179.07011	1.5
180.04166	2.6
185.05939	0.7
190.02667	0.9
191.03360	18.3
191.07014	1.4
192.03755	0.6
193.04987	5.2
193.08565	0.8
194.02133	0.7
195.06458	9.2
197.06015	1.6
201.05505	0.7
201.09160	0.9
203.07018	0.9
205.04951	6.3
205.08563	1.0
206.05292	0.8
209.04388	2.5
213.05397	1.4
213.89035	0.6
215.07040	0.9
217.04927	1.2
219.02870	4.2
219.06433	1.4
221.04453	2.4
223.05984	33.4
224.06331	1.2
227.06966	0.8
229.08566	3.9
231.06558	1.5
233.08040	0.8
235.05940	1.2
235.09669	1.3
237.03914	18.9
243.10216	0.9
245.08102	1.8
251.05473	13.8
252.05794	0.9
253.07068	5.1
257.08032	5.5
261.07532	1.2
263.09247	1.9
265.06793	1.1
278.98233	0.6
285.07190	0.6
285.11209	1.0
285.14828	2.9
287.08530	0.7
289.10770	3.0
291.08429	4.6
293.10168	2.2
295.13223	1.2
299.09076	1.8
305.10233	1.2
313.14279	3.7
317.10153	1.3
345.16895	1.9
355.15302	1.1
373.16464	5.5
374.16171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
51.81712	0.4
54.13792	0.3
69.13894	0.7
69.14298	1.7
70.06578	0.7
71.04996	0.4
71.22022	0.3
72.08154	0.7
83.06084	0.6
84.08144	1.2
86.09708	1.7
89.06013	2.2
90.06347	0.6
91.06472	0.4
92.70795	0.4
95.05004	0.4
95.08608	0.6
99.08099	1.0
100.35656	0.3
109.10149	0.5
114.67384	0.3
116.07071	0.4
117.03352	0.6
129.10211	0.7
133.08632	0.8
137.05965	0.5
145.02855	0.6
156.93709	0.3
177.05505	0.9
200.45332	0.4
203.05219	0.6
211.12933	0.6
211.16878	0.6
228.95291	0.4
343.17203	0.7
373.18298	100.0
374.18668	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	373.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	2.2
63.30190	1.4
63.31981	1.2
67.05501	1.9
69.07052	1.8
70.52803	2.9
77.12015	1.3
79.05485	2.4
81.03400	2.4
81.07048	2.5
84.08125	2.9
87.12421	1.2
91.05468	2.3
93.07029	2.0
95.08579	1.7
120.69305	1.2
123.11707	1.5
132.04454	2.6
150.05515	1.9
164.07079	1.6
174.53485	1.3
178.70265	1.5
185.04167	14.0
201.02020	1.4
203.05278	2.9
211.12996	10.7
246.46072	1.4
311.12479	1.8
355.15302	3.1
373.18301	100.0
374.18832	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	373.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57468	0.3
55.05491	0.4
56.05023	0.8
58.69992	0.3
67.05505	0.3
69.25361	1.6
70.06569	0.6
71.29723	0.3
72.08149	2.4
79.05495	0.3
84.08132	29.3
85.02879	0.4
85.08489	0.4
86.09203	0.4
86.09696	4.0
96.08112	0.3
101.10761	1.2
113.56657	0.3
115.03953	0.3
120.75045	0.3
121.77858	0.3
129.10223	21.0
145.02837	0.9
147.11340	0.6
149.05951	0.4
152.14278	0.3
177.05415	1.5
193.12007	1.2
195.06421	0.4
197.16469	1.4
201.03671	0.4
203.05246	5.2
211.13037	0.6
224.17545	0.7
242.18587	2.4
243.16989	0.3
245.18666	0.6
260.19632	1.4
356.25507	0.4
373.18280	100.0
373.28107	4.4
374.18689	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37720	0.3
53.28771	0.3
53.64344	0.3
56.16240	0.3
65.03922	0.5
66.04699	0.4
67.05481	0.4
67.40482	0.3
69.03429	0.5
79.05475	1.9
80.06252	0.9
81.03396	0.9
81.07061	0.7
81.35891	0.4
90.04682	0.8
91.05454	3.9
93.07027	0.8
95.04932	1.3
95.05468	0.3
97.06496	0.3
103.05440	1.3
105.03348	0.4
105.04517	0.3
105.07014	1.4
106.04163	0.8
107.04933	9.4
108.05721	3.5
109.06506	0.7
111.42206	0.3
115.05437	0.5
117.06961	0.5
118.04139	0.6
119.04951	0.4
119.08547	0.7
121.06474	2.2
121.10107	0.5
123.08067	0.7
129.07014	0.5
129.10179	0.4
131.04895	2.0
131.08569	0.4
133.06419	1.9
135.04370	2.8
135.08054	1.5
136.05173	6.6
137.05992	3.9
138.06741	0.4
143.04843	0.4
145.06433	1.7
146.07236	1.9
147.08018	4.2
149.05923	0.4
149.09621	0.7
150.06760	1.6
151.07512	100.0
152.07863	3.1
157.06487	0.5
159.07993	0.8
160.08823	1.1
161.06013	0.8
161.09563	1.2
162.06723	0.4
163.03928	0.4
163.07503	3.6
164.08339	0.4
165.09079	7.4
171.08023	0.6
172.08769	0.3
173.02397	0.4
173.06105	0.3
174.06702	0.4
175.07477	0.9
176.08313	1.2
177.09079	8.5
177.90837	0.3
178.09508	0.4
179.10606	1.0
186.10387	0.5
187.03952	0.4
187.07669	0.4
188.08240	0.8
189.09106	1.8
190.09853	0.4
191.10603	2.7
202.09767	0.5
203.10603	2.5
205.12143	0.4
213.05453	0.4
217.12239	2.1
267.13757	0.4
296.20172	0.3
309.14868	0.5
323.16684	0.4
340.16623	12.0
341.16983	0.7
355.19058	2.8
373.19653	6.5
374.19833	0.4
394.11835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2214
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05487	12.9
67.05494	15.9
70.78680	11.6
74.48473	8.0
81.03304	8.2
81.07042	17.3
91.05470	14.8
93.07023	11.0
95.08591	38.3
105.07041	9.5
107.08592	23.9
109.10148	100.0
119.08571	33.8
121.10137	10.3
123.08040	11.0
123.11687	11.5
133.10120	29.0
135.11684	96.1
137.09628	11.9
151.14784	11.4
175.14775	43.7
193.15868	60.9
211.16858	37.1
325.98029	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	373.2219
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03936	5.8
55.05495	9.2
67.05494	27.7
69.03424	16.2
69.07076	11.9
70.46947	4.6
70.54473	6.5
70.54790	7.4
79.05489	12.7
81.03389	6.7
81.07039	23.1
82.01501	5.0
83.04975	13.2
83.08601	9.7
85.02895	15.4
91.05475	15.6
93.07021	12.9
95.04933	5.6
95.08582	32.5
100.54170	5.3
103.05470	15.0
105.07039	12.4
107.04951	9.9
107.08587	29.1
108.03519	4.7
109.06501	15.0
109.10142	98.3
115.05401	7.0
119.04897	6.8
119.08575	49.3
121.10133	21.6
123.08036	15.8
123.11715	13.0
131.04927	23.2
133.10095	19.6
135.11673	100.0
137.05942	8.5
137.09622	17.5
145.06496	6.8
149.13191	8.3
151.11163	10.6
151.14809	10.7
153.05551	7.1
159.04387	6.0
167.07065	34.3
175.07532	23.3
175.14819	45.5
176.04701	5.7
191.07016	35.6
193.08711	6.9
193.15877	70.2
195.08244	7.1
202.07832	7.0
211.16878	59.5
235.07474	11.4
251.07089	8.9
252.07697	7.2
253.08539	12.1
263.06979	7.1
265.08542	10.3
283.09769	5.6
293.08124	6.9
309.11124	30.6
323.12631	8.8
327.12109	9.0
341.10220	8.4
341.13748	48.4
373.12680	13.2
373.16611	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65575	15.4
54.17682	14.0
55.05509	21.6
67.05497	22.8
69.07093	21.5
70.67326	26.9
79.05473	20.6
81.07056	33.0
83.08626	22.2
85.02888	24.1
93.07053	20.9
95.08606	33.9
98.17843	15.6
107.08604	30.6
109.10169	91.6
119.08586	47.4
133.10069	19.5
135.11679	100.0
175.14816	38.7
178.44814	16.9
180.83530	17.5
191.45865	15.4
193.15903	65.4
211.16948	62.3
218.74754	17.2
221.57288	19.7
228.21622	19.3
239.93149	17.7
355.11945	16.6
356.64008	18.0
367.49167	17.2
379.68466	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91411	1.3
53.96838	1.7
55.05507	6.9
57.07097	2.1
59.05015	1.9
63.43660	1.5
67.05489	14.8
69.03413	10.2
69.07062	12.8
70.51375	3.3
71.04989	2.9
79.05474	4.6
81.07037	21.4
83.04961	10.5
83.08621	7.3
84.08112	1.9
85.02893	8.0
85.06531	4.5
91.05470	4.2
93.07028	9.6
95.04939	3.3
95.08598	33.2
97.02850	2.3
97.10157	3.9
99.08079	3.3
105.07027	7.4
107.08578	22.3
109.06521	7.7
109.10136	100.0
110.10482	2.7
113.09565	2.8
115.22643	1.6
119.08567	37.9
121.10131	13.4
123.08038	10.5
123.11692	6.4
125.09598	3.0
127.03930	2.8
128.27739	1.8
133.10100	21.5
135.11671	94.5
136.12000	3.1
137.09584	13.7
147.11742	2.1
148.04749	1.9
149.13225	4.5
151.11172	7.2
151.14787	10.4
153.12743	2.9
165.16393	2.1
175.14793	45.6
193.15862	60.2
194.16286	3.0
211.16887	53.8
373.18002	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
53.07380	2.6
55.01838	2.7
55.05254	4.2
55.05505	59.1
57.03430	30.1
57.06812	4.7
57.07068	49.3
59.04991	3.2
65.03938	3.8
67.05495	95.2
69.03429	3.8
69.07058	82.7
69.63114	3.0
69.63445	8.9
71.04982	4.7
71.08624	51.7
79.05483	22.8
80.94846	2.9
81.07047	100.0
82.07366	3.7
83.04972	4.5
83.08610	51.0
85.06553	3.6
85.10162	13.3
91.05457	12.9
93.07045	26.2
95.08012	5.7
95.08595	83.9
97.06528	6.7
97.10152	38.9
99.08063	3.9
105.07008	14.1
107.08591	14.9
109.10141	67.9
111.08070	5.2
111.11044	2.7
111.11685	12.8
119.08555	12.5
121.06469	6.3
121.10126	17.9
123.08024	5.1
123.11680	25.8
125.09621	4.6
127.11161	2.8
131.04909	5.1
133.10124	18.0
135.04370	3.0
135.11685	8.4
137.09555	5.5
137.13229	9.5
139.11096	5.7
141.12726	9.8
147.11687	10.1
149.05927	3.6
149.13251	10.2
151.11174	6.6
151.14813	4.6
153.12769	3.1
155.14238	12.4
161.13260	8.0
162.03094	3.8
163.14775	5.1
173.11720	9.3
175.14795	8.9
179.14171	3.0
179.17935	3.7
181.15880	4.3
183.02914	4.7
189.16397	3.3
190.02597	12.6
205.04938	50.1
219.06509	8.3
245.22546	14.5
253.25211	7.1
263.23651	24.1
281.24808	3.7
325.14337	16.8
337.27179	5.4
343.08066	29.1
355.28448	15.2
358.10468	6.2
373.12830	42.2
373.17151	6.0
373.29431	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	32.3
57.03428	7.3
57.07073	63.9
63.66248	4.6
67.05499	51.2
69.07063	36.8
69.46265	23.6
70.06586	9.2
71.08623	65.3
79.05506	8.6
81.07047	81.4
83.08626	33.7
85.10191	36.7
85.93095	5.8
88.07623	13.5
91.05465	12.9
93.07016	22.6
95.08595	99.8
97.10157	26.4
102.80953	4.9
105.07001	8.8
107.08572	9.5
109.10127	27.9
111.08106	7.4
111.11708	9.5
119.08522	10.0
121.10110	6.4
123.11685	14.0
133.10071	8.2
137.13260	15.8
137.63013	5.3
151.14825	6.2
155.14279	40.6
161.13245	8.4
166.68903	4.6
167.91643	4.7
235.24216	9.2
245.22548	22.3
253.25285	13.9
263.23590	18.1
281.24643	11.7
299.25787	18.9
312.32556	10.3
343.08051	39.8
355.28384	100.0
373.12836	38.7
374.36264	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	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
56.05012	0.8
57.03419	1.4
58.06592	0.8
61.02907	2.3
69.03418	3.2
69.81683	2.4
70.06565	1.8
71.04972	0.7
72.08141	1.8
73.02879	0.8
81.03413	3.0
84.08126	6.2
85.02895	15.4
85.06560	0.7
86.09698	2.7
89.03889	4.2
91.03950	1.0
91.05483	1.9
97.02863	5.0
98.22787	0.8
99.04433	1.1
102.47841	0.6
109.02888	1.0
116.07080	1.1
117.03359	14.3
127.03912	2.6
129.10214	3.1
134.03644	1.9
135.04413	2.3
137.05945	1.2
145.02829	45.1
145.04930	3.4
146.03136	1.7
149.05965	8.3
153.05414	0.9
163.03870	4.0
177.05450	100.0
178.05821	3.5
180.08698	1.3
195.06503	44.9
196.06931	1.7
220.48083	0.7
262.33521	0.7
285.06879	0.8
374.18835	5.0
375.12418	6.4
375.19345	2.2
387.31296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.0
66.93127	0.7
67.05505	0.8
69.03408	4.9
69.77734	1.7
70.06596	1.7
81.03432	1.9
82.67470	0.7
84.08127	2.1
85.02402	1.0
85.02895	15.2
86.09671	1.6
89.03889	5.4
91.03976	1.3
95.04945	1.0
97.02879	5.1
99.04440	0.7
103.05418	0.8
107.08663	0.7
109.02846	1.8
112.18504	0.7
116.08603	0.8
117.02562	1.5
117.03365	18.4
118.03726	1.1
121.06482	1.1
123.04385	1.8
127.03904	3.4
129.10179	1.3
134.03592	1.5
135.04378	2.9
137.05968	2.1
145.02829	43.9
145.04861	3.5
146.03140	1.1
149.05952	8.9
153.05376	1.1
162.03186	0.8
163.03856	4.2
177.05441	100.0
178.05791	3.6
180.08699	1.1
194.08194	0.9
195.06494	39.0
196.06876	0.9
213.07240	6.0
264.32077	0.8
276.83978	0.7
286.11514	0.8
314.11166	1.1
324.09973	0.8
374.14816	2.7
374.18823	16.1
375.12509	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03437	1.1
61.02925	2.0
62.03213	0.8
69.03416	4.2
70.63427	1.4
81.03412	2.1
84.08151	1.8
85.02892	14.5
87.04509	0.8
89.03931	4.6
97.02874	5.2
99.04462	1.0
107.53777	0.8
109.02894	1.0
117.03368	17.9
127.03915	2.6
134.03638	2.0
135.04366	1.7
145.02831	46.1
145.04938	3.1
146.03172	1.3
149.05962	6.7
153.05472	1.0
162.03133	1.1
163.03903	3.5
177.05452	100.0
178.05785	5.0
180.08647	1.8
195.06512	47.1
196.06847	1.6
213.07248	1.8
303.87976	0.8
348.34668	0.8
374.18527	6.8
375.12531	2.8
375.19394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01873	0.5
57.03439	0.6
61.02908	1.2
69.03432	1.9
69.37608	1.6
79.05499	0.4
81.03401	1.1
85.02901	7.1
85.22955	0.3
86.09692	1.6
91.03950	0.5
91.05487	0.5
94.04158	0.6
97.02885	2.6
98.23396	0.7
102.05468	0.4
102.81586	0.4
109.02873	0.7
111.04375	0.4
112.46000	0.4
114.22889	0.3
117.03355	0.5
122.03648	1.9
127.03914	1.0
137.05966	100.0
138.06290	3.7
145.02855	0.8
145.04942	1.5
152.78172	0.3
161.05952	0.7
177.05478	1.6
177.09177	0.4
178.05908	0.4
189.09145	0.5
190.40985	0.5
195.10123	4.1
197.12839	0.4
202.05856	0.4
213.07336	7.7
291.80295	0.4
293.10208	0.4
297.02005	0.4
327.34293	0.3
374.13171	0.5
374.18680	9.6
375.12601	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	374.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21071	0.8
69.03422	2.8
71.43488	0.9
78.20084	0.8
81.07024	0.9
83.01326	1.2
91.05463	3.3
93.07046	2.4
95.04912	1.0
97.06528	1.5
103.64310	0.8
105.07031	1.3
105.76904	0.9
106.87032	0.8
107.08592	2.5
109.06549	1.1
119.75525	0.8
121.06481	4.6
121.10152	2.6
131.04895	5.1
133.10133	1.9
134.20045	0.9
149.05991	1.9
159.04428	3.6
159.33139	0.9
162.03099	7.4
177.05476	2.1
190.02565	19.1
190.04155	1.5
193.05028	1.5
199.04033	1.3
204.04164	1.5
205.04933	100.0
206.05342	3.6
213.05455	1.4
219.02927	2.5
219.06448	13.2
231.06468	1.1
233.08044	3.0
245.08147	1.7
247.06036	3.3
259.09677	1.1
273.11188	10.6
285.11267	1.6
310.09973	0.9
325.14264	15.3
343.15375	29.9
344.15521	2.6
380.66241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15489	4.3
71.26816	1.5
79.05476	4.0
81.07029	2.0
82.41946	1.6
83.05006	1.8
91.05470	4.5
93.07018	2.2
95.08593	2.4
105.06997	3.6
107.07977	1.8
107.08592	13.8
109.10124	1.8
119.08540	2.2
121.06493	4.9
121.10204	1.8
125.09622	2.5
131.04898	7.4
133.10112	4.5
159.04390	6.4
162.03099	5.7
165.70938	1.7
171.04321	1.8
173.34895	2.0
177.05440	1.9
190.02597	15.2
191.06886	2.2
193.04898	6.0
195.08075	3.1
199.03856	6.6
203.07060	2.5
205.04929	100.0
206.05222	4.4
213.05446	6.0
219.02963	4.5
219.06482	48.1
220.06894	2.9
229.38451	1.7
231.06503	8.6
233.08034	6.5
243.06650	2.0
245.08035	11.2
247.09583	2.6
269.08057	3.0
271.09543	13.6
273.11176	12.5
283.09601	12.7
297.11136	5.7
325.14285	38.1
343.15341	25.0
344.08289	5.7
374.12994	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	374.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77946	1.5
57.07063	1.6
58.06609	2.0
60.82952	1.4
67.05467	1.4
69.07030	1.9
70.03497	4.9
72.08147	2.4
80.94846	2.3
91.05464	1.9
99.11375	1.7
101.06013	9.0
101.06567	1.4
105.07050	1.9
107.08540	3.0
109.10110	2.7
112.60402	1.6
121.06488	2.8
123.52566	1.5
131.04958	2.7
149.05983	1.9
162.03152	5.4
170.32692	1.5
190.02654	13.3
193.04947	2.5
199.03906	1.9
205.04939	100.0
206.05275	3.3
213.05510	1.8
217.04927	2.7
219.06517	6.5
235.06015	3.3
257.08127	1.6
268.30057	4.1
273.11160	6.3
283.09570	3.1
285.11218	4.1
287.08960	2.4
325.14200	11.0
325.40784	1.5
343.15256	3.5
344.08411	3.5
374.13107	6.9
374.23715	1.5
374.32434	5.5
374.36258	4.5
375.17996	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	374.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38060	0.7
55.05485	1.8
56.61287	0.8
56.96545	0.9
57.07064	1.4
61.03923	0.8
62.11049	0.7
65.11935	0.7
65.64101	0.8
67.05499	2.4
68.05833	1.0
69.03426	1.4
69.07064	2.1
70.15864	2.1
71.08620	1.3
79.05494	2.8
81.07053	3.2
83.08605	1.6
91.05492	4.8
93.07048	5.0
95.04946	1.2
95.08592	5.3
95.29223	0.7
95.74971	0.8
97.06527	1.7
97.10214	0.9
101.06008	0.8
102.09191	0.9
103.05457	1.0
105.07012	5.4
107.08585	16.6
109.06519	1.2
109.10187	1.1
109.83234	0.7
115.05460	1.1
119.08593	0.8
121.06489	5.0
121.10141	1.7
121.35283	0.7
123.11697	1.2
125.09646	1.3
131.04915	9.4
133.10097	4.5
143.04973	2.1
145.73972	0.7
148.05257	0.8
149.05968	2.8
155.59575	0.8
159.04401	6.5
162.03108	7.1
163.07526	2.1
171.04405	1.7
176.04611	0.9
177.05461	2.9
185.06087	1.0
189.05412	0.8
189.57581	0.7
190.02579	16.8
191.03044	1.2
191.07019	1.6
193.04973	3.4
195.08078	2.9
199.03896	6.7
203.03372	1.1
204.04143	1.9
205.04936	100.0
206.05237	4.1
209.09647	1.1
213.05434	4.5
216.04111	1.1
219.06496	43.6
220.06830	1.8
221.04465	2.0
223.07506	2.1
230.05748	1.6
231.06438	7.7
233.08052	4.7
245.08060	8.9
247.09608	2.8
256.26328	1.2
257.08041	1.2
269.08078	1.9
271.09555	9.0
273.11115	7.1
281.99417	0.8
283.09564	11.7
284.10031	1.1
297.11246	5.4
325.14294	38.2
326.14532	2.9
343.15341	17.5
344.08511	1.8
344.15817	1.3
351.14700	1.6
369.15591	2.4
374.13306	2.2
374.32858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	22.7
57.07053	6.1
58.06582	2.8
68.31939	1.8
68.47803	1.6
69.47137	6.3
70.06587	14.8
71.08619	2.2
81.54771	1.8
83.47801	1.8
84.08145	2.4
88.07613	14.1
91.14896	1.7
97.96809	3.3
98.22678	3.5
106.08698	2.4
110.97552	8.0
114.09162	4.8
115.97820	2.8
128.98604	12.4
129.09068	2.4
132.10197	16.8
133.98871	2.1
146.99622	10.2
150.11197	14.1
158.80826	1.6
161.01183	2.4
165.00807	1.9
190.05127	3.6
203.05927	1.8
227.62601	1.8
259.12134	3.3
263.09616	6.0
282.11142	2.0
301.89041	2.2
312.32465	2.2
313.14792	1.9
315.16208	43.3
316.16757	2.0
330.33472	3.9
331.15829	4.3
333.17316	100.0
334.17679	5.8
344.08496	3.1
351.18344	40.6
352.18390	2.1
356.18869	9.9
369.13928	1.8
374.12985	6.6
374.19916	3.4
374.36255	74.0
375.19040	2.4
375.36688	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	374.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	0.6
55.37498	0.5
56.05028	2.3
58.06600	4.3
62.10259	0.5
65.03933	2.6
66.32937	0.6
67.05488	1.5
69.03420	2.5
69.07067	3.2
69.15835	3.5
70.06578	2.8
72.08138	0.7
73.02905	1.0
77.03127	0.6
79.05473	1.8
81.03418	1.5
81.07057	1.2
82.06556	0.7
83.05000	0.6
84.04492	26.7
84.04998	1.4
84.08121	1.3
85.02894	3.8
86.09695	100.0
87.00796	1.1
87.10035	3.6
91.05476	6.4
92.04992	1.1
93.07043	1.0
94.06561	1.4
95.04972	1.1
95.08546	0.7
96.04488	1.7
96.08094	1.0
97.02892	1.7
98.22671	1.0
99.04433	0.7
102.05526	13.7
103.05424	0.8
105.01895	0.8
105.07032	1.7
107.04974	1.0
107.08528	0.8
108.08110	2.7
109.06502	1.1
109.10153	1.0
110.09670	1.8
113.07123	1.4
116.04970	0.9
119.08595	1.5
120.04455	2.7
120.08092	1.6
122.06024	1.8
124.07579	0.7
127.03916	1.1
129.06557	3.9
131.04904	1.1
132.10187	28.8
133.06387	0.6
135.04401	6.6
136.07527	1.4
137.05988	5.7
137.09654	0.9
138.00626	0.6
138.09140	2.6
141.05563	0.7
141.06544	3.2
144.04437	1.9
145.04967	0.7
148.03915	36.5
148.07451	0.9
149.05963	5.1
151.03891	7.3
151.04953	1.0
152.10739	2.9
153.05507	0.9
156.04311	0.7
157.06468	2.0
161.09605	0.9
162.05464	1.1
163.03851	3.4
164.07085	0.6
166.04971	8.8
166.08595	3.9
167.07008	1.1
170.11777	3.1
172.03940	6.1
177.05380	3.7
177.09070	1.0
190.04988	2.9
193.08524	0.8
194.11771	1.0
195.06483	1.8
197.12823	15.3
203.07048	2.3
204.06598	5.6
215.13890	26.5
216.14128	0.8
221.08035	0.8
225.12303	5.2
236.85905	0.6
243.13364	7.0
245.18559	1.8
255.11302	4.0
273.12219	3.3
283.10678	4.6
301.11780	21.1
317.25052	0.7
319.12833	0.9
327.12054	0.7
342.14050	1.8
343.12927	2.4
357.13422	0.8
374.16043	2.0
375.12122	0.9
375.19452	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	375.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05811	0.9
56.96283	1.5
56.96559	23.0
63.22303	0.9
63.22742	1.0
70.74386	0.9
72.90406	1.0
81.98187	0.8
84.96030	10.5
87.13665	0.8
98.97570	64.6
109.97235	0.9
110.97552	41.0
112.98414	1.1
112.99125	3.4
116.98605	17.1
121.57382	0.8
124.99111	3.4
128.97617	1.6
128.98586	29.7
131.00177	3.2
134.99612	2.3
140.98579	12.2
143.00142	8.0
144.98050	2.0
146.93617	0.9
146.99623	8.8
152.97537	0.8
152.98560	5.3
155.00160	2.7
158.99638	22.2
161.01202	6.8
168.98085	2.7
170.99638	12.4
173.01180	3.4
177.00693	10.8
182.99602	5.0
185.01180	1.7
186.99139	5.2
189.00696	9.2
194.99706	6.3
201.00655	14.0
209.01176	1.7
213.00694	9.6
219.01732	79.6
220.02063	1.8
225.00638	5.0
227.02184	1.4
229.00095	1.3
231.01709	1.8
237.00824	4.7
237.02782	98.6
238.03265	1.3
243.01628	2.2
248.37343	0.9
255.01544	2.1
255.03845	3.7
285.02728	11.0
295.96887	1.1
303.03815	14.4
315.03824	91.5
316.04065	4.7
333.04877	100.0
334.05093	5.1
375.05804	3.1
375.23190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66039	0.4
59.17948	0.4
69.26359	2.2
71.38874	0.4
93.53584	0.4
117.69689	0.3
151.25153	0.4
156.99840	0.4
185.04187	1.3
213.07292	100.0
214.07614	2.8
375.12555	18.2
376.12845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1261
Annotation	Dercitamide
Peak:m/z	Relative Intensity
60.51675	0.7
61.37859	0.7
62.29774	0.8
64.03339	0.8
69.11274	1.6
69.11674	4.1
82.24814	0.8
84.08086	0.7
85.02885	1.1
86.09685	1.8
98.22750	1.5
137.05981	4.7
138.06310	2.8
160.61559	0.8
160.83978	0.8
167.07004	3.9
175.07602	1.3
185.04301	1.0
213.07323	30.0
237.85893	0.9
375.12567	100.0
376.12906	5.1
376.20172	0.8
399.56104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70821	0.4
60.51587	0.4
64.72073	0.4
69.03407	0.7
69.83844	0.9
69.84171	0.6
70.06586	0.8
72.08130	1.4
79.05455	0.7
82.50743	0.5
84.04495	0.7
84.08120	1.9
85.02898	1.0
85.08491	0.5
86.09696	3.6
98.23412	0.7
99.04443	1.2
105.07074	0.6
109.95697	0.4
120.54677	0.5
129.10231	1.0
137.05962	1.5
141.17210	0.5
173.12772	0.7
177.09172	0.5
179.07016	0.7
185.04179	2.1
198.41609	0.5
207.22203	0.6
213.07301	100.0
214.07707	2.5
228.81517	0.5
318.13318	0.6
358.16339	1.0
375.12482	24.9
375.19855	2.9
376.12930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.126
Annotation	Dercitamide
Peak:m/z	Relative Intensity
51.70403	0.6
56.96558	2.9
58.06590	1.6
59.01162	0.6
69.03412	0.8
70.06586	3.9
71.04986	1.9
71.43484	0.9
72.08145	2.3
79.05479	1.8
81.03426	1.1
84.04495	1.9
84.08136	4.9
85.02921	1.4
86.09679	4.9
88.72685	0.6
95.04921	0.8
97.02869	1.6
98.97579	4.4
99.04440	8.9
104.50303	0.7
107.04955	1.0
109.02869	1.7
110.97562	1.5
115.03891	1.3
116.98609	1.8
117.05509	0.8
119.04980	0.8
120.84624	0.6
122.26866	0.6
123.04419	0.9
124.18369	0.7
127.03926	0.7
127.12344	1.3
128.98582	1.2
133.02971	0.7
134.99680	1.1
137.05988	1.6
145.04991	0.7
146.99599	1.5
147.04393	1.2
158.99693	1.4
173.01271	0.7
177.00604	1.3
178.08566	0.9
179.06992	0.9
189.00723	1.0
206.11824	0.9
213.00642	0.7
219.01758	2.6
237.02777	6.0
271.14117	0.8
315.03769	4.3
318.13394	2.3
330.13336	2.0
333.04932	3.3
343.06323	2.5
358.16507	5.5
375.12534	100.0
375.16232	6.3
375.19348	8.7
376.13010	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	375.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	0.4
70.06561	0.6
71.43607	0.4
71.80742	0.3
72.08114	0.7
79.05482	0.4
84.08115	0.5
85.06524	0.4
86.09666	0.6
97.02840	0.5
107.04874	0.4
113.05951	0.5
115.02139	5.0
115.03886	0.4
129.00035	1.2
129.03680	0.5
137.05899	0.7
141.06625	0.5
142.08588	1.8
157.03151	3.4
167.07036	0.5
175.04184	1.9
176.80414	0.4
181.05023	0.4
184.09702	0.6
192.04329	0.4
195.13841	0.7
213.07300	2.9
213.10266	0.8
214.14105	0.4
255.08142	0.5
273.08688	0.5
281.46988	0.4
284.05719	0.3
285.09119	0.4
300.77783	0.4
315.10516	2.4
375.12415	100.0
376.12683	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	375.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
57.03429	0.5
58.06570	0.4
61.02913	0.3
65.87142	0.2
69.03421	3.0
70.06584	0.7
71.04984	17.3
71.41770	0.4
72.05296	0.3
72.08135	1.1
81.03403	3.6
82.52515	0.2
84.04491	0.3
84.08145	1.0
85.02892	3.5
86.09698	2.2
87.10028	0.4
97.02885	5.6
98.97585	0.4
99.04443	100.0
100.04771	1.7
109.02868	1.7
115.03919	4.1
117.05482	11.2
127.03895	2.6
127.12333	0.3
129.10243	0.3
130.04950	0.3
137.05939	0.3
145.02827	0.3
145.04953	1.4
145.24223	0.3
147.71306	0.3
171.06528	0.4
174.04172	0.2
177.05490	0.7
178.05795	0.4
195.06538	0.3
195.08176	0.3
199.18057	0.3
200.18283	0.3
219.01758	0.4
225.07591	0.3
234.59521	0.3
236.06946	0.5
237.02702	0.4
243.08659	2.3
261.09683	1.2
268.09677	0.3
330.13330	0.6
333.04877	0.3
339.13150	0.3
346.77942	0.3
358.16647	0.5
375.15460	0.9
375.19598	1.9
376.09872	0.4
376.14011	1.2
376.19348	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	375.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.55018	0.3
55.01867	0.3
57.03423	0.4
60.59106	0.3
69.03423	3.1
71.04985	17.6
81.03401	2.7
85.02894	3.4
97.02879	5.2
99.04443	100.0
100.04781	1.7
109.02193	0.4
109.02798	1.7
112.05267	0.3
115.03935	2.5
117.03391	0.4
117.05475	9.4
118.30794	0.3
123.04398	1.7
124.04671	0.4
127.03896	1.8
137.06015	0.7
139.03889	0.5
140.02872	0.3
145.02876	0.9
145.04961	2.4
146.03185	0.4
161.02348	0.6
177.05453	1.8
178.05745	1.9
179.03374	0.4
179.07039	0.5
195.06519	0.5
196.06877	1.1
213.11053	2.2
214.10939	0.3
243.08699	1.9
261.09702	1.6
358.12952	0.8
375.12585	1.2
375.16354	8.0
376.09888	3.3
376.14011	2.0
385.30966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Vladinol D
Peak:m/z	Relative Intensity
55.01864	6.4
55.56843	1.6
65.03935	7.1
67.05491	3.8
70.71848	2.6
71.01345	4.2
72.70372	1.5
77.03931	2.6
79.05484	7.4
81.03421	12.3
81.07044	4.4
85.02886	1.8
87.67673	1.7
91.05470	66.7
93.03420	2.1
93.07053	4.0
95.04952	6.1
97.06520	1.9
103.05451	4.5
105.03378	14.7
105.07030	5.1
107.04951	7.4
108.02096	3.1
108.05747	1.7
109.06508	12.9
111.04403	4.3
115.05424	2.4
118.04118	3.9
119.04929	80.9
121.06488	5.5
123.04404	5.1
123.08044	7.0
124.05206	7.6
125.05984	6.8
129.07005	4.5
131.04912	6.1
133.02837	3.8
133.06479	6.2
135.04425	5.1
135.08015	3.2
136.01479	2.4
137.05951	35.6
141.05472	4.3
145.06482	2.3
146.03625	3.8
147.04384	21.5
147.08006	2.0
149.05940	3.5
150.06741	5.6
151.03896	100.0
151.04994	10.2
151.07523	53.2
152.04337	1.6
153.05428	8.3
157.06477	3.5
159.08080	1.9
160.05234	2.2
161.05954	9.9
162.03047	1.8
163.03954	4.1
163.07454	2.3
165.05460	6.5
167.07043	10.7
175.07520	7.2
177.05466	4.8
177.09100	6.9
178.06221	20.2
179.07021	25.5
180.07686	5.6
187.07523	9.7
189.09164	3.2
191.06998	3.4
193.08592	5.9
195.06483	6.1
196.07257	12.5
203.07039	7.9
205.04871	15.6
205.08459	8.3
215.07100	1.9
219.02708	2.1
221.04344	2.1
233.04446	2.0
247.10071	1.8
279.10022	2.0
286.08203	4.2
297.11020	2.7
311.09360	2.0
311.12698	4.1
325.10776	2.0
339.12201	4.2
357.13214	6.2
375.14465	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	375.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.4
57.98558	1.2
60.05703	0.9
65.03952	5.1
67.05499	4.4
69.03444	1.0
71.43224	1.1
79.05497	2.4
81.03410	10.5
85.02911	2.5
86.09718	3.6
91.05485	4.3
92.04989	2.1
92.05798	1.5
94.04201	1.6
95.04979	3.0
97.02900	1.8
103.05426	1.0
105.06998	1.5
107.04984	1.4
108.02101	2.8
108.08130	2.5
109.02862	1.5
109.06499	2.0
110.09651	2.0
111.04441	3.2
115.05454	3.4
116.04974	1.3
117.06965	2.0
119.04993	1.6
120.04514	3.1
120.08083	1.9
122.03676	3.6
122.06026	1.8
123.04450	2.8
125.05964	2.3
127.03896	1.9
128.06227	3.2
129.07016	8.7
131.04904	2.5
133.02792	1.2
136.07549	1.5
137.05963	47.1
138.06343	1.7
138.09137	2.7
141.05461	3.4
143.04948	4.0
144.04398	1.0
145.06502	2.2
147.08049	2.7
148.03911	45.5
149.04233	1.6
149.05940	1.5
151.03899	100.0
151.05009	11.4
152.04280	3.7
152.58917	1.1
153.05484	4.3
155.04942	1.1
157.06480	11.2
160.05176	2.2
161.06020	3.0
161.09511	1.2
162.05458	1.6
163.03925	1.3
163.07578	2.0
165.05479	4.1
166.04976	7.1
166.08669	4.6
167.07098	1.6
171.04445	4.1
172.03883	5.6
174.06834	1.2
175.07520	6.6
176.04720	1.2
177.05467	2.5
187.07545	1.2
189.09090	7.9
190.05006	2.6
191.06970	6.3
191.08492	1.2
203.07014	29.2
204.06471	9.4
205.04968	1.6
205.08629	4.8
213.07272	2.2
215.07063	1.7
219.08049	1.3
221.04453	1.3
221.07985	5.7
233.08142	3.4
235.07547	1.4
243.06448	2.0
247.07439	1.8
255.11229	5.3
273.12308	4.6
277.08533	1.7
279.10126	3.0
283.10651	5.2
285.07730	1.7
286.08356	3.2
295.09503	1.3
301.11783	38.5
302.12152	3.3
307.09625	3.8
311.09341	1.3
311.12634	1.3
319.12939	2.8
321.11191	3.9
327.12192	7.2
339.12207	6.9
343.12814	4.5
357.13272	5.6
370.55637	1.0
375.10254	1.2
375.14569	1.7
375.19403	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40168	0.9
54.80843	0.8
55.01873	2.2
55.05491	1.0
65.03937	2.2
67.05494	2.9
69.14711	2.1
69.15108	3.6
77.03916	1.1
79.05478	4.1
81.03421	7.3
81.07058	2.3
83.04991	1.1
91.05465	12.3
93.03413	1.1
93.07025	2.5
95.04965	2.6
97.52725	0.9
103.05448	3.6
105.03398	2.3
105.07019	12.4
107.04934	3.1
107.08565	1.8
108.02085	2.0
109.06496	3.1
109.10168	2.7
111.04417	3.6
114.78667	0.8
115.05424	4.9
117.06999	3.6
118.04167	0.8
119.04933	10.4
119.08546	1.5
121.06501	3.9
121.10114	1.1
122.03619	1.9
123.04417	2.5
123.08064	3.5
124.05256	1.4
125.05943	1.7
128.06238	2.1
129.06996	4.9
131.04909	3.3
132.05676	1.8
133.02841	1.1
133.06476	9.4
137.05963	33.4
138.06306	1.7
141.05452	2.9
143.04906	3.3
143.05977	1.0
143.08537	1.7
144.05688	1.7
145.06473	2.8
146.03598	1.2
147.04402	3.5
147.08049	2.1
148.03864	1.4
149.05969	2.1
151.03894	79.2
151.05003	7.7
151.07510	14.5
152.04247	2.2
153.05461	2.5
157.06506	5.2
160.05173	2.9
161.05946	11.0
162.06693	2.3
163.07532	1.2
167.07014	18.6
167.08339	1.7
168.07457	0.9
171.04385	1.9
171.08063	1.3
172.05196	1.1
172.51398	1.0
174.06720	1.7
175.07520	6.9
177.09084	100.0
178.06168	2.3
178.09482	3.0
179.06984	3.1
181.04927	1.1
187.07471	1.5
189.05501	1.2
189.09091	5.0
190.02721	1.3
191.07037	4.7
193.08588	39.2
194.09004	1.4
195.10172	6.4
196.07324	1.4
197.05905	1.2
203.07008	14.7
203.10587	1.8
204.07416	1.0
205.04912	10.7
205.08575	3.6
213.07330	1.2
215.07056	1.2
219.02864	1.3
221.04422	2.0
221.08043	2.7
221.11649	5.2
233.08101	3.5
243.06442	1.4
247.07568	1.1
249.08867	1.0
269.84344	1.1
271.05942	1.1
279.09824	1.2
285.07605	2.1
286.08310	1.9
287.09012	1.9
295.09619	1.1
299.09088	1.1
306.08676	1.3
307.09784	1.3
311.12363	1.6
321.11142	2.9
327.12204	5.2
328.12253	1.2
329.13596	1.2
339.12195	4.4
343.13062	1.2
357.13193	4.9
375.14407	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	375.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.7
55.80211	0.4
67.01842	0.9
67.05490	2.5
69.07047	1.7
71.44559	0.6
79.05485	2.9
81.07056	5.1
83.04979	0.8
91.05469	1.8
93.07009	1.6
94.04167	0.5
95.04952	1.3
95.08570	1.4
97.06505	0.7
103.05447	0.7
103.86677	0.5
105.03355	0.9
105.04483	0.4
105.07021	0.7
107.04937	2.1
107.08576	1.2
109.06493	2.3
109.10143	4.9
115.05434	0.8
119.04913	0.8
119.08564	0.5
121.02812	0.5
121.06481	0.9
121.10136	1.3
122.03630	1.8
123.11670	1.1
125.05966	0.5
129.06964	0.6
131.04884	0.8
133.10075	0.7
135.11685	1.0
137.06003	2.5
139.03908	0.5
147.04369	1.3
149.05934	0.6
150.03107	2.9
161.05991	1.1
162.03134	0.9
163.03856	0.5
163.07504	0.5
165.05450	100.0
166.05775	3.0
167.07100	1.1
173.02321	1.4
175.03918	0.9
175.06104	0.5
175.07513	0.8
177.05437	3.9
189.05478	1.5
190.02441	0.8
190.06284	1.0
191.07059	1.4
193.04939	26.4
193.08641	1.2
194.05307	1.2
195.06506	1.1
201.05392	0.7
203.06923	1.0
205.04945	7.9
205.08586	2.2
207.06508	1.7
207.09850	0.6
217.04884	2.2
219.06335	1.0
221.04407	10.8
221.07887	0.6
226.65480	0.5
231.06445	0.5
231.10062	1.5
235.05888	4.6
249.07472	1.1
253.07042	26.6
254.07379	1.0
259.09433	0.8
261.07550	1.2
277.07092	3.1
283.13370	0.7
287.16513	0.7
293.10178	1.8
301.10873	1.2
315.15860	0.7
319.11591	0.9
329.04965	0.6
329.13486	0.6
357.12900	0.7
357.16846	0.8
358.16901	0.6
375.14343	2.6
375.18362	1.3
383.70261	0.6
384.92087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11032	0.7
54.44289	0.7
55.05511	4.5
57.07074	5.3
58.06627	0.8
62.59042	0.6
65.03932	1.1
67.05516	5.1
69.07067	46.8
69.44791	3.1
70.06593	8.5
70.07385	1.3
71.08625	1.8
79.05491	4.4
81.07055	9.7
83.08617	2.3
88.07627	9.1
91.05479	1.9
93.07073	1.5
95.04982	3.2
95.08588	5.4
97.02282	1.0
97.02882	1.3
102.09190	5.4
102.25005	0.7
105.04531	1.5
105.07037	1.9
107.04952	3.1
107.08638	1.0
109.06518	1.2
109.10143	3.6
111.04486	0.9
111.11713	3.1
119.04926	1.8
120.02100	1.0
121.06526	1.4
123.04456	7.8
123.11707	6.8
129.07011	1.0
133.10199	1.2
135.04407	10.5
136.05193	3.1
137.05943	1.1
145.06491	1.2
147.04486	1.0
149.05946	2.4
150.11296	1.4
151.03886	2.5
152.04727	0.8
153.05453	3.6
157.06616	1.0
163.03894	43.8
164.04689	7.8
165.05473	25.5
165.06540	0.8
167.04704	0.9
167.07066	1.9
173.02368	1.8
173.06024	1.6
175.07523	2.2
177.05443	4.7
179.07005	2.8
180.04205	4.8
185.05916	1.2
187.03969	2.8
187.07506	1.1
189.05502	3.1
189.09195	1.0
191.03377	55.2
191.07048	2.4
192.03807	2.2
193.04953	8.0
193.08655	2.2
194.02071	0.9
195.06526	21.8
196.07018	1.2
199.07550	2.2
200.08253	0.8
201.05487	3.4
203.06999	3.5
203.10751	1.4
205.04964	6.0
205.08655	2.8
209.04419	6.3
211.06093	1.0
213.05479	1.9
213.09180	1.2
215.07047	1.8
217.05003	2.5
217.08574	3.3
219.02876	10.8
219.06519	2.5
220.03395	0.9
221.04437	2.1
222.01563	1.7
223.06003	100.0
224.06279	4.7
225.07468	1.9
227.07053	2.7
231.06514	2.8
231.10217	2.3
233.08070	5.5
235.05898	1.0
237.03931	54.6
237.07689	3.1
238.04236	2.0
241.08595	3.3
245.08205	2.1
247.09671	3.2
249.07503	0.9
251.05495	52.5
251.09161	2.0
252.05820	1.7
253.07098	4.5
255.10158	1.2
259.09683	7.4
263.09134	1.1
264.08722	0.9
265.07068	2.7
265.10648	6.8
269.15396	2.6
273.11224	0.9
277.10788	3.8
279.12308	7.7
287.09225	0.9
287.16339	6.9
291.08890	1.0
291.12222	19.5
292.27057	0.8
293.10208	2.1
297.14911	6.2
312.32568	10.4
313.33023	6.4
315.15869	8.1
325.14261	1.1
343.15164	0.9
347.18478	10.3
374.36264	29.0
375.18002	9.3
375.25150	2.8
375.36600	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	375.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00852	0.4
51.01722	0.5
51.65337	0.4
53.09111	0.5
55.01850	0.9
55.95700	0.5
57.34550	0.5
64.77753	0.5
65.03936	0.5
69.03387	0.6
70.06583	1.0
70.98898	0.7
76.88472	0.5
78.04688	0.9
79.05480	2.3
91.05468	3.4
93.07021	1.6
95.04943	1.4
103.05449	1.9
104.06223	0.7
105.06351	1.0
105.07014	10.5
107.04938	1.4
107.08555	0.7
108.05741	0.7
115.05447	3.6
116.06236	0.6
117.07001	5.0
119.04935	1.1
119.08538	0.8
121.06490	2.4
123.04398	1.8
123.08036	2.1
124.05216	0.7
128.06194	0.9
133.05510	0.9
133.06465	8.7
135.08043	1.2
137.05956	1.4
143.06026	1.2
143.08536	1.1
145.06430	1.4
147.08051	0.8
149.05997	1.1
149.09547	1.0
151.03831	0.7
151.07509	10.6
159.11653	0.5
160.05139	0.7
161.05960	7.9
162.06755	2.9
163.77089	0.5
167.07001	13.7
171.08070	1.2
175.07504	3.4
177.09079	100.0
178.06160	0.8
178.09441	4.4
186.10379	0.9
187.11201	0.9
193.08575	39.3
194.08882	1.5
195.10146	7.7
201.12814	1.1
203.10622	1.3
221.11671	5.6
229.12198	1.0
256.76093	0.5
329.13950	0.7
357.16586	0.5
375.12408	3.9
375.19141	2.0
376.17578	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	375.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.9
67.05479	1.7
69.03438	1.5
69.07052	1.3
69.97809	3.3
77.29868	1.2
79.05487	7.7
80.09073	1.1
80.94882	1.7
81.07051	3.0
83.08614	1.2
91.05477	13.5
93.06444	1.6
93.07035	31.4
95.04959	3.7
95.08600	3.3
98.23279	1.7
99.00795	1.5
105.07011	8.5
107.04951	2.9
107.08589	45.4
109.06497	2.8
109.10164	1.9
111.04440	1.3
119.04953	2.0
119.08591	7.3
121.06486	1.3
121.10139	2.9
125.06867	1.4
125.09609	1.2
133.02844	1.7
133.06499	1.6
133.10123	6.4
135.04416	7.2
135.11681	100.0
136.02745	1.2
136.12027	3.8
139.03871	8.4
141.07117	1.1
142.07797	1.3
147.11732	2.1
149.02304	1.4
155.08572	2.2
157.10097	1.8
162.03090	2.0
163.03876	2.6
165.07088	1.3
167.08528	2.2
169.10117	2.3
175.11201	2.2
179.08621	1.8
181.04845	5.4
183.11671	2.0
185.09644	3.6
191.03456	1.4
194.10909	2.3
195.06476	2.4
195.08121	1.7
195.11771	2.9
196.12340	1.8
199.07510	2.6
205.04987	6.3
209.04367	1.5
209.13249	13.9
211.14786	3.0
213.09088	2.5
219.06554	2.3
221.04466	2.2
237.12697	8.4
239.14302	4.8
255.13820	5.3
265.12238	3.2
269.15353	4.8
271.16791	1.6
283.13269	10.7
297.14816	8.4
301.14063	1.3
311.12671	2.6
315.15811	5.2
329.13821	7.8
343.15366	4.9
375.17752	1.7
375.21771	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	375.18
Annotation	CHEBI:68167
Peak:m/z	Relative Intensity
55.05506	5.4
58.06406	0.7
67.05511	4.4
69.07061	45.0
69.09827	5.5
77.03904	0.9
79.05476	4.4
81.07047	8.5
83.08604	1.3
91.05473	3.0
95.04951	2.7
95.08604	5.3
105.03394	1.0
105.07059	1.2
107.04968	3.6
109.02909	1.3
109.10154	4.4
111.11701	3.2
116.98569	0.8
117.03394	1.8
119.04926	1.9
120.02085	0.9
121.06486	1.3
121.10133	1.0
123.04420	7.7
123.11698	6.5
124.26430	0.7
125.43455	0.8
127.61337	0.9
129.06990	1.1
129.38684	0.8
131.01273	0.9
135.04407	12.8
136.05176	3.1
137.05977	1.5
137.13214	1.0
145.06482	0.9
147.04373	1.7
149.05977	2.3
150.03090	1.2
151.03882	2.2
153.05461	4.4
163.03889	46.2
164.04659	9.2
165.05457	22.7
166.05766	0.7
167.06982	1.2
171.08057	1.4
173.02325	2.3
173.05980	1.6
175.07535	1.4
177.05463	4.2
179.03355	0.8
179.07022	3.0
180.04124	4.7
187.03836	2.7
189.05388	2.2
189.09106	1.0
191.03368	55.0
191.06979	2.0
192.03801	1.4
193.04898	5.2
193.08647	1.4
195.06514	23.0
198.06790	0.9
199.03952	0.8
199.07585	1.7
201.05505	5.2
203.06955	3.6
203.10518	0.8
205.04941	7.3
205.08574	3.0
209.04369	6.0
213.05457	1.9
213.09171	0.9
215.07027	2.2
217.04861	2.1
217.08572	2.6
219.02849	14.7
219.06528	2.7
219.09958	1.2
220.03233	1.1
221.04362	2.4
222.01509	0.9
223.05988	100.0
224.06305	3.5
225.07571	2.1
227.06975	2.5
229.08507	1.0
231.06464	1.9
231.10075	2.3
233.08023	4.9
237.03900	45.5
237.07355	3.8
238.04286	1.8
241.08528	2.2
245.08026	2.8
247.09651	6.3
251.05482	58.4
251.09103	3.4
252.05832	2.6
253.07042	4.7
255.09973	1.1
259.09631	4.9
265.07101	2.1
265.10696	7.8
269.15381	1.6
277.10770	3.3
279.09131	1.1
279.12161	6.6
287.16370	5.9
291.09082	1.0
291.12244	19.0
292.12500	1.3
293.10080	0.9
297.14813	5.9
315.15848	8.8
316.16333	1.2
343.15625	0.9
347.18512	12.3
375.13727	1.2
375.18054	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	375.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.0
57.03429	1.2
63.01570	0.9
65.26175	0.9
67.05497	12.5
69.03405	1.1
69.07061	35.4
70.06599	1.0
70.71701	1.8
71.04983	5.9
73.06551	6.4
75.90218	1.0
79.05459	1.3
81.07052	6.9
85.06534	5.3
85.24366	1.0
91.05476	3.0
93.07046	2.2
95.08590	2.5
101.05996	3.8
103.05466	1.4
105.03396	1.3
105.07057	1.1
107.08572	3.0
109.10144	50.9
110.10478	1.2
115.05383	1.2
119.04931	1.2
121.06501	5.1
127.11176	3.9
128.06277	1.0
131.04930	3.7
133.02782	1.1
133.06458	1.6
136.05174	1.0
136.91696	1.0
141.12711	5.8
145.02843	3.1
146.03639	1.7
147.04414	4.1
148.90169	1.1
149.02357	1.0
149.05962	1.9
151.07571	2.4
159.04407	2.0
161.05966	14.1
162.03094	6.0
163.03873	2.3
164.04706	5.2
171.04372	1.6
172.30235	0.9
174.03055	1.9
175.03973	1.4
176.04631	1.1
176.85564	1.0
177.01845	1.9
177.05434	2.1
178.06065	1.2
179.03392	4.1
184.86122	0.9
188.04596	1.4
189.05450	11.7
190.02606	13.3
191.03273	3.2
192.04172	8.8
193.04916	3.6
195.08031	1.7
199.03886	5.5
202.02510	2.0
203.06883	1.6
204.04138	1.9
205.01489	2.0
205.04933	55.4
206.05312	3.7
216.04285	1.5
217.04921	58.4
218.05290	2.4
219.02843	4.6
219.06490	6.8
220.03656	14.6
221.04094	1.0
225.05510	1.8
229.04956	2.7
229.08662	2.0
231.06494	1.8
233.08026	7.3
235.05974	44.4
236.06305	2.5
243.06468	3.6
245.08223	2.3
247.05989	3.3
247.09834	1.8
257.08093	5.0
259.05920	1.5
259.09747	1.3
269.08096	4.9
273.07465	2.8
275.09164	1.1
277.10397	1.1
283.09674	3.2
289.10721	6.3
299.74155	1.1
301.14285	2.0
325.14316	2.1
341.16125	1.1
345.08936	1.3
375.17950	100.0
375.33310	2.0
376.18350	7.4
376.25388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21872	0.4
52.98254	0.5
64.02914	0.4
69.07063	0.5
70.82122	0.7
79.05480	0.8
81.07056	0.5
86.09686	0.5
91.05468	0.8
93.07036	0.9
97.02865	0.5
105.07016	0.5
107.04935	0.7
111.04449	0.6
115.05419	0.6
117.06989	0.5
121.06500	0.5
123.04465	0.8
131.04892	0.7
133.02864	0.5
137.05971	3.6
145.06500	0.6
151.03879	0.5
151.07454	1.1
153.05493	0.6
161.05986	0.9
165.05464	0.5
167.07036	1.8
175.07582	0.8
191.07076	0.7
193.06927	0.4
203.05223	5.3
203.06952	0.7
205.04941	0.7
213.07318	10.1
213.09320	0.7
265.08276	0.4
299.08981	0.9
315.09906	0.5
375.13065	4.3
375.19839	100.0
376.16907	0.5
376.20313	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	375.1987
Annotation	Ala Glu Arg
Peak:m/z	Relative Intensity
52.21872	0.4
52.98254	0.5
64.02914	0.4
69.07063	0.5
70.82122	0.7
79.05480	0.8
81.07056	0.5
86.09686	0.5
91.05468	0.8
93.07036	0.9
97.02865	0.5
105.07016	0.5
107.04935	0.7
111.04449	0.6
115.05419	0.6
117.06989	0.5
121.06500	0.5
123.04465	0.8
131.04892	0.7
133.02864	0.5
137.05971	3.6
145.06500	0.6
151.03879	0.5
151.07454	1.1
153.05493	0.6
161.05986	0.9
165.05464	0.5
167.07036	1.8
175.07582	0.8
191.07076	0.7
193.06927	0.4
203.05223	5.3
203.06952	0.7
205.04941	0.7
213.07318	10.1
213.09320	0.7
265.08276	0.4
299.08981	0.9
315.09906	0.5
375.13065	4.3
375.19839	100.0
376.16907	0.5
376.20313	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	375.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
53.94752	2.4
55.01862	7.1
55.05506	27.0
57.03427	8.4
57.07070	13.1
59.04981	2.4
61.02920	9.5
67.05488	13.4
69.03426	33.6
69.07059	76.8
69.61340	5.3
69.61731	5.3
70.06590	8.9
71.04989	15.2
73.02915	5.0
79.05479	9.7
81.03432	14.8
81.07043	25.3
83.04962	9.5
83.08590	14.2
84.04504	3.7
84.08093	4.4
85.02891	66.5
85.06528	16.6
86.09681	2.7
87.04453	3.7
90.83853	2.6
91.03925	3.5
91.05469	8.4
93.07047	17.0
95.04929	3.2
95.08603	50.2
97.02885	23.9
97.06525	8.7
97.10148	20.7
99.04453	8.2
99.08091	15.2
99.11741	4.7
100.18981	2.5
105.07032	7.2
107.08575	23.8
109.02862	7.7
109.10137	21.1
111.08080	8.6
111.11694	21.9
113.09602	6.4
119.08596	6.4
121.02885	3.5
121.10117	42.1
123.11713	13.1
125.09564	12.2
127.03880	17.3
131.08548	4.7
133.10193	2.8
135.11667	19.4
137.05995	9.0
137.13242	20.3
139.11142	21.2
145.04959	9.2
145.10072	4.4
149.13234	3.0
151.14891	3.2
153.12730	10.5
163.11244	3.7
177.08978	2.7
177.16365	92.3
191.10619	3.4
193.29999	2.4
195.17429	57.3
213.07292	7.4
213.18460	46.9
236.44882	2.3
242.86436	2.7
263.75885	2.4
315.10455	3.7
318.13147	3.0
318.22083	2.9
358.16473	5.2
375.12610	100.0
375.18976	21.2
375.23587	6.2
376.12970	9.9
376.21210	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	375.2375
Annotation	Manglieside C
Peak:m/z	Relative Intensity
55.01859	2.6
55.05500	9.2
55.18360	1.7
58.06611	2.1
67.05505	3.4
69.03433	3.4
69.07063	12.5
70.06593	2.9
71.04990	3.5
79.05495	7.5
81.07059	13.6
81.41326	1.5
83.04385	1.6
83.04948	1.7
83.08613	6.4
84.08130	4.0
85.02892	7.4
91.05495	5.8
93.07031	12.6
95.04952	1.9
95.08598	24.5
97.02882	3.1
97.06501	2.4
97.10146	5.9
99.08091	17.1
105.07016	5.0
107.04953	1.8
107.08587	27.7
109.06464	1.9
109.10127	8.4
111.08061	6.3
113.82021	1.6
119.08548	2.2
120.08138	3.0
121.06499	2.0
121.10137	44.8
123.04420	3.7
123.08042	2.0
123.11769	2.1
123.67929	1.7
125.09645	3.4
133.06525	1.8
135.11671	13.7
136.07646	2.3
137.05991	9.0
137.13243	7.8
145.06435	1.6
147.04501	2.0
149.13261	3.6
151.03928	6.8
151.07489	2.6
161.05981	2.1
175.07492	2.1
177.16356	100.0
178.16777	2.5
179.06929	2.2
181.04915	2.8
195.17419	17.3
213.07373	3.4
213.18469	22.1
330.13544	1.9
375.14365	2.2
375.19043	7.6
376.21927	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	375.2371
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.58015	3.5
55.05499	20.3
57.07059	15.6
65.87506	3.7
67.05495	9.9
68.29618	3.5
69.03419	5.6
69.07058	100.0
81.07040	17.8
83.04966	5.1
83.08608	7.0
85.02908	5.6
89.33638	3.7
93.07009	8.8
95.08579	23.1
97.06538	6.3
97.10149	16.2
99.11739	5.3
99.60809	4.2
107.08585	15.0
109.10133	5.8
111.08057	5.9
111.11692	23.2
119.08588	4.4
121.10128	20.9
123.08199	6.5
125.09603	9.3
127.73425	4.6
135.11670	5.6
137.05902	5.4
137.13216	10.7
139.11163	34.5
152.07089	5.1
155.14365	3.9
177.16383	28.3
194.08122	9.2
195.17453	47.4
213.18442	17.4
253.08772	4.1
273.03857	4.3
385.03452	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	375.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39067	6.8
55.05495	16.9
58.06576	7.5
67.05495	23.6
74.70102	6.8
79.05466	26.2
81.07064	40.1
91.05470	63.8
93.07031	67.9
95.04959	48.7
95.08592	28.4
97.06534	11.7
105.07018	100.0
107.08586	49.6
109.06539	16.2
109.10133	12.9
117.06985	18.9
119.08588	61.4
121.06486	22.1
121.10146	56.0
123.08186	7.8
128.06175	10.7
129.06981	17.0
131.08557	30.3
133.10120	33.3
135.11673	10.7
138.09045	7.5
142.07767	19.2
143.08525	20.2
145.10112	68.7
146.10576	6.8
147.11693	16.2
157.10114	43.3
159.11656	25.0
161.09625	10.1
168.95686	7.6
169.10120	17.5
171.11696	16.4
173.13179	16.3
183.11697	14.1
187.11201	9.6
187.14838	14.3
211.06017	14.9
375.26712	31.6
375.36652	11.7
376.26001	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	375.2887
Annotation	15-HTPE
Peak:m/z	Relative Intensity
53.03928	3.2
55.01854	2.9
55.05257	1.6
55.05500	23.2
57.03424	4.7
57.07070	6.2
58.06585	2.2
61.38568	1.2
65.03920	3.4
67.05489	63.7
68.29180	1.2
69.03406	4.2
69.07053	17.8
69.87140	1.2
70.06586	6.1
71.04959	8.5
71.08611	2.8
72.89327	1.2
79.05474	48.4
81.07040	100.0
82.07365	2.1
83.04543	1.5
83.04948	8.7
83.08608	14.4
85.06537	3.8
88.07623	7.7
91.05460	40.4
93.07021	49.0
95.04956	9.8
95.08585	79.2
97.02876	13.1
97.06512	14.2
97.10133	4.2
97.86684	1.2
99.08072	8.3
102.09167	4.3
105.04544	2.1
105.07007	31.4
107.04931	5.5
107.08575	25.2
109.06492	5.2
109.10118	12.9
111.04434	1.5
111.08057	5.1
113.09634	6.6
117.06985	10.0
119.08555	36.4
121.06465	4.9
121.10113	19.7
123.08026	8.0
123.11669	4.3
125.09610	1.9
129.06978	3.3
131.08556	15.9
133.10097	27.7
135.08009	4.5
135.11667	14.4
137.09616	4.1
137.13231	2.1
139.07497	1.4
142.07777	1.2
143.08524	4.8
145.10109	14.1
147.07938	1.4
147.11655	6.2
149.09550	4.1
149.13202	5.1
151.11122	1.9
157.10092	4.8
159.11688	12.7
161.09566	2.7
161.11870	1.9
161.13219	30.3
162.13533	1.3
163.11163	8.3
163.14809	3.4
169.10045	1.4
171.11665	4.0
173.13231	6.1
175.14812	1.5
177.12683	3.8
179.14261	31.7
181.12204	2.2
183.11746	1.4
185.13156	2.9
187.14819	3.4
189.12708	2.0
197.13319	1.6
197.15385	1.3
198.55510	1.5
199.14812	1.7
201.12744	1.4
201.16409	2.7
211.05920	3.0
211.14737	1.8
215.17920	2.0
227.18008	1.5
231.17337	2.5
231.20984	1.9
233.15346	1.6
249.18446	1.8
273.22110	1.8
277.21646	2.4
311.27087	2.4
312.32553	4.9
313.32855	9.9
321.25690	2.1
339.26743	8.1
357.23776	0.9
357.27798	26.6
358.28256	2.0
374.36295	9.4
375.19290	1.9
375.24823	3.4
375.28815	29.1
375.36407	22.7
376.24869	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	376.0998
Annotation	4-HADNT O-glucoside
Peak:m/z	Relative Intensity
55.01866	0.5
70.73074	0.5
77.26111	0.4
84.31773	0.5
85.02869	1.2
115.03920	1.2
123.04427	1.4
135.04370	0.7
137.05952	4.6
139.03893	0.6
143.03116	1.1
147.04382	0.8
151.03891	1.2
151.07576	0.6
161.05988	0.6
165.93369	0.4
167.03296	0.9
179.06999	2.0
197.08009	0.4
207.06474	5.6
214.04736	1.7
215.03229	0.5
224.09152	5.3
256.05847	1.9
376.09952	100.0
377.10300	7.9
377.17896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	13.1
58.64918	1.3
69.03409	3.0
70.06586	3.5
71.04987	1.6
71.44113	1.7
71.79540	1.3
72.08156	2.2
73.47522	1.5
79.05460	2.5
81.01733	1.5
81.03410	2.5
84.04476	1.8
85.02863	2.0
85.96682	1.2
87.04468	8.9
91.05466	2.3
97.02898	2.4
99.04437	10.8
100.04800	4.6
103.05454	4.6
106.82285	1.4
107.04910	2.3
109.02863	17.4
115.03921	26.5
115.05436	2.4
117.05392	1.4
117.07001	3.2
118.06551	1.6
119.04922	2.3
128.04976	3.5
128.06181	6.9
129.07013	11.5
131.04900	5.6
132.04411	1.9
133.06468	1.6
133.33630	1.5
134.03601	1.5
134.06003	5.6
137.05972	3.0
141.06973	7.4
143.08549	1.5
145.06474	9.0
146.05978	47.1
147.04385	10.1
149.05975	1.8
150.05533	1.9
151.06282	2.7
151.81734	1.4
152.06186	6.3
153.06978	11.5
155.04904	3.6
155.08522	8.4
156.05644	3.4
157.06467	13.0
159.04424	3.8
160.52493	1.7
162.05446	2.1
165.06963	49.2
166.07693	9.9
167.08543	22.2
168.05673	8.9
169.04933	6.2
169.06458	6.6
171.08046	3.9
172.07584	2.8
173.05978	7.1
177.06956	3.4
178.07780	5.3
179.03406	2.3
179.08493	8.7
181.06425	12.9
181.10086	4.7
182.05923	2.1
183.04416	6.3
183.06776	2.0
183.08054	16.4
184.05142	1.9
185.05922	5.9
185.09528	2.2
191.08540	2.7
192.08093	1.8
193.06435	20.2
194.07298	9.0
194.09050	1.2
195.08031	32.7
196.07539	3.0
197.05959	18.0
197.09656	1.7
199.07480	3.3
200.07016	6.0
201.05450	8.8
203.06906	3.3
207.08017	14.3
209.06021	2.3
209.09668	12.7
210.09222	4.7
211.03944	3.0
211.07506	36.2
211.09515	1.8
213.09058	2.1
215.03159	4.6
215.05162	1.7
215.07039	2.6
219.08122	2.0
220.07405	2.1
221.05981	19.5
223.07480	8.2
225.05473	4.7
225.09091	11.1
229.04962	5.5
234.08986	2.2
235.07481	16.3
237.09183	7.3
238.08720	4.8
239.06990	21.8
241.08525	1.8
243.10262	1.8
246.07631	3.2
249.05479	6.8
252.10139	2.6
253.08565	31.5
256.09637	1.9
257.07974	3.8
263.06921	8.0
265.08621	3.3
266.08170	4.0
267.06555	9.1
267.10172	12.0
270.11255	3.0
271.09558	11.7
280.09625	4.8
280.69208	1.5
281.08060	10.0
285.07547	3.1
291.06543	2.8
295.09647	4.7
297.11221	2.6
298.10739	3.4
299.09238	4.1
309.07590	2.5
313.10556	5.4
317.10239	2.3
323.09161	3.0
327.08609	2.2
341.10144	3.3
358.12939	8.5
359.11435	2.0
376.13867	100.0
377.08362	20.7
377.14084	7.4
397.34622	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	24.1
68.99751	1.2
70.06565	2.7
71.04971	5.0
71.44161	1.6
72.05331	1.3
72.08116	1.3
79.05508	1.6
81.03404	2.8
85.02895	1.9
87.04456	24.0
89.91963	1.2
91.04920	1.1
91.05466	3.6
95.04932	1.7
97.02878	3.4
99.04442	26.7
100.04774	10.1
103.05456	1.7
107.04948	1.4
109.02847	7.8
115.03909	58.3
117.05508	2.8
117.07001	3.2
118.06516	1.6
119.04885	2.9
122.06017	2.0
127.03905	3.4
128.05009	2.7
128.06195	3.1
129.06985	6.8
129.10130	1.2
131.04939	1.4
131.75212	1.2
132.04373	1.2
134.05983	2.3
135.04329	1.3
137.05992	3.1
141.06960	3.7
143.08542	1.6
145.06454	7.7
146.05984	35.7
146.07149	1.8
147.04362	8.4
147.06747	1.6
148.07593	1.5
149.05968	1.3
150.05493	1.4
151.03871	3.6
151.06282	1.4
152.06194	2.8
153.06989	7.5
155.04893	1.9
155.06032	1.8
155.08527	5.8
157.06474	8.7
159.04395	1.9
162.05444	1.9
162.71461	1.2
163.03813	1.6
165.05579	1.1
165.06953	24.2
166.07610	3.0
167.08560	14.0
168.05717	1.5
169.05019	2.1
169.06444	4.3
169.10011	1.1
171.08012	4.1
172.07561	3.4
173.05930	6.5
177.06976	1.3
178.07820	3.2
179.03380	2.1
179.07074	2.7
179.08415	7.9
181.06442	19.6
181.10056	1.6
183.04448	6.2
183.06622	1.7
183.08044	12.6
184.05116	1.2
185.05922	4.3
188.15598	1.2
191.08554	2.7
193.06488	10.3
194.07187	5.7
195.08020	17.2
196.07436	2.0
197.04210	2.0
197.05920	12.9
197.09709	2.0
199.07541	4.0
200.07036	2.7
201.05423	3.1
203.07048	1.4
207.08031	9.7
208.08778	1.4
209.09587	6.7
210.09053	1.6
211.03877	2.9
211.07513	18.6
213.09137	1.9
215.05063	2.0
215.07024	1.9
219.08057	2.0
221.05977	10.1
223.07442	6.4
225.05486	2.5
225.09094	9.1
227.06993	2.7
228.06477	1.8
229.04979	3.0
233.84660	1.2
234.09180	1.3
235.07494	16.0
236.07928	1.3
237.09169	6.8
238.08701	3.7
239.06978	12.9
241.08537	1.3
241.25214	1.2
249.05453	5.4
253.08618	19.7
256.09735	1.3
257.07828	1.4
263.07010	8.1
264.10095	1.2
265.08508	2.1
266.08142	1.7
267.06445	3.3
267.10092	12.2
271.09717	5.9
280.09589	3.9
281.07947	9.3
291.06296	2.5
295.09610	5.2
297.11285	1.6
299.09091	3.6
309.07422	4.0
313.10663	4.8
316.11664	1.5
323.08890	2.7
341.10214	2.9
358.12567	4.0
359.11438	1.4
376.13818	100.0
377.08398	33.6
377.13821	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	376.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.27416	0.2
55.05503	10.6
56.05030	0.8
56.96550	3.0
57.05804	1.3
69.03419	1.2
70.06593	0.3
72.08143	100.0
73.08473	1.8
81.03409	1.0
84.08124	0.7
84.15705	0.2
84.96031	0.3
85.02880	1.2
86.09689	0.4
96.04472	0.4
97.02882	2.2
98.97559	3.1
99.04478	0.6
109.02866	1.2
110.97556	0.7
116.98576	1.2
118.08635	2.6
127.03897	1.6
128.98540	1.0
129.02260	0.9
134.99651	0.5
138.01440	0.2
138.09189	0.3
143.00188	0.3
145.04947	0.4
146.99666	0.6
147.03270	1.2
147.04327	0.3
152.98653	0.3
155.00204	0.6
158.99617	0.5
161.01231	0.3
170.99643	0.6
173.01189	3.2
176.73087	0.2
176.96353	0.2
177.00772	0.5
177.09351	0.3
179.07072	0.3
189.00653	0.3
191.02232	4.1
195.06630	0.3
198.11147	0.4
202.91013	0.2
207.06535	0.3
209.03300	0.3
214.95445	0.3
215.02287	0.8
216.12334	0.4
219.01801	1.0
224.09163	0.3
233.03313	0.4
234.13213	0.2
237.02740	1.7
244.11736	3.3
253.07635	0.3
262.12793	2.6
263.13260	0.3
279.07468	2.3
286.97534	0.2
297.08939	0.3
316.04257	0.8
334.05472	0.3
357.87845	0.2
376.10120	4.5
376.16058	9.9
377.11255	10.9
377.16803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01870	1.4
56.26551	0.7
57.03426	2.1
61.02917	2.2
69.03416	5.0
70.06590	0.9
70.91230	1.2
73.02927	0.9
81.03416	2.3
84.04527	0.8
84.29053	0.8
85.02900	21.0
88.41377	0.8
91.03955	1.4
91.05489	1.4
93.19559	0.7
97.02892	6.6
99.04440	0.7
107.04948	0.8
109.02874	2.1
113.41053	0.7
127.03915	3.8
137.05966	100.0
138.06303	3.4
145.04936	6.5
148.26807	0.8
151.03688	0.8
151.07506	1.2
179.07028	29.2
180.07237	1.2
180.08698	1.2
197.08073	4.7
213.07336	2.3
214.07671	1.7
338.09229	0.9
358.12619	1.1
376.13782	2.3
376.19296	2.7
377.17795	2.7
392.89502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55663	0.8
53.03938	0.8
55.01862	1.0
57.03417	2.1
58.47141	0.6
59.86368	0.6
61.02905	2.1
69.03424	6.1
70.06580	1.3
70.84356	0.8
70.84736	0.9
73.02890	0.8
81.03391	2.6
84.57310	0.7
85.02888	24.6
91.03922	1.3
97.02876	6.4
99.04404	0.8
109.02866	2.6
119.04914	0.8
122.03651	1.3
127.03900	2.8
137.05951	100.0
138.06291	3.2
145.04904	6.2
147.04408	1.2
151.07497	1.9
162.60849	0.7
163.54179	0.7
179.07005	32.4
180.07291	1.0
180.08675	1.5
197.08005	4.1
213.07307	12.2
214.07640	12.0
214.10735	0.9
298.09897	0.8
301.73810	0.8
309.65961	0.7
376.12268	4.9
376.16425	3.2
377.17639	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	376.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.0
57.03420	6.3
61.02902	3.3
69.03423	10.2
70.80305	2.5
71.01352	2.8
71.04982	2.9
73.02925	2.4
79.05484	1.8
81.03403	3.4
85.02892	13.2
97.02859	4.5
98.85286	1.4
99.04414	2.3
105.07008	2.0
109.02901	2.0
119.08564	3.1
121.95635	1.4
122.03627	3.3
125.05969	2.1
127.03840	2.9
131.08572	1.7
137.05963	100.0
138.06302	3.0
139.03798	1.5
145.04964	3.0
147.08040	9.4
151.03893	2.2
151.07446	2.1
172.08661	11.7
177.05481	2.6
179.07112	2.8
179.10654	20.5
195.02695	1.7
198.06625	2.7
200.08211	1.6
205.04929	5.1
213.07219	7.1
214.07631	6.5
214.14398	5.4
216.07727	6.9
243.08751	35.4
334.14651	1.6
334.20871	1.9
376.12976	38.7
376.19449	21.3
377.14542	52.7
379.93869	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34447	0.8
58.78143	0.9
60.66520	0.8
62.19102	0.9
67.05492	1.6
69.03413	0.9
69.07129	0.9
69.94500	0.8
80.94859	1.1
81.07048	1.2
83.01341	1.7
91.05450	1.1
93.07033	1.0
95.08599	2.0
109.06524	1.1
109.10160	4.1
121.06482	5.3
121.10168	1.2
123.11701	1.3
131.04912	3.2
149.05952	3.1
149.39740	0.8
153.12733	1.1
161.06027	1.2
162.03076	7.4
166.54654	0.9
177.05443	2.3
190.02583	16.1
193.04887	1.1
205.04926	100.0
206.05310	2.6
219.06476	7.5
227.60379	0.9
232.50940	0.8
233.08034	2.7
235.06119	1.2
243.06795	1.0
247.09631	2.3
257.07697	1.1
259.09659	2.0
269.19406	0.9
271.09500	1.3
273.11234	1.4
275.12811	6.4
291.04724	0.8
322.71423	1.0
327.15836	12.5
345.16907	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	376.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30163	1.3
65.19616	1.3
67.05486	2.6
69.92226	1.2
70.08268	3.5
81.07050	3.1
81.46123	1.4
91.89299	1.3
93.07026	1.4
95.08604	3.8
96.96400	1.5
109.10145	7.5
121.06494	4.9
121.10162	4.5
123.11683	3.9
131.04912	3.1
133.98845	1.3
141.01280	1.2
159.04393	1.3
162.03094	10.9
177.05388	1.4
190.02580	20.2
205.04933	100.0
205.67224	1.4
206.05261	3.7
207.06566	3.3
219.06506	7.2
233.08066	4.9
247.09720	3.4
271.09619	4.5
285.11176	2.8
327.15872	28.9
367.23141	1.4
396.67380	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04511	0.9
62.32512	0.9
65.94640	1.0
67.05493	2.1
67.30820	0.9
68.81296	0.8
69.07063	5.5
69.26937	0.8
70.37006	1.7
79.05480	1.1
80.65929	0.8
81.07052	10.4
91.05437	1.1
92.33071	0.9
93.06966	1.3
95.08580	2.1
109.10157	9.2
121.06493	4.1
123.11743	1.0
128.06163	1.0
131.04895	3.4
137.01559	0.9
143.08514	1.4
149.05977	2.5
155.08598	1.2
159.04324	1.2
162.03093	5.1
171.07997	1.6
177.05496	2.2
189.05499	1.8
190.02589	15.4
193.05046	1.7
194.84937	1.0
199.03860	1.4
199.07520	2.5
205.04927	100.0
206.05289	3.9
207.06499	1.1
213.05418	1.6
217.04886	2.8
217.08568	1.1
219.06471	14.3
227.06961	3.9
229.05013	2.3
231.06410	2.7
233.08052	8.4
243.06482	1.9
244.07123	1.1
245.08109	5.4
247.09612	16.0
257.08072	2.0
259.09631	28.4
260.09961	1.1
271.09583	31.2
272.09933	1.0
275.12695	2.8
285.11121	4.2
294.56506	1.2
327.15854	16.2
328.16013	1.2
345.16910	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	376.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40722	0.6
55.65970	0.5
57.07066	0.7
65.82977	0.6
67.05496	2.5
69.33911	2.5
79.05502	0.9
80.22234	0.7
81.07040	1.6
83.01311	0.8
87.04462	1.9
91.05477	1.4
93.07021	2.1
95.08598	5.6
102.09097	0.6
103.45115	0.6
105.06993	0.8
107.08598	0.9
109.10141	9.4
118.92679	0.6
119.04860	0.7
121.06485	6.0
121.10135	2.1
123.11671	2.8
128.79091	0.6
131.04912	2.9
134.03622	1.0
149.05939	2.4
152.61783	0.8
159.04420	0.7
162.03094	9.6
177.05432	2.3
190.02570	18.5
191.02992	0.9
193.04953	0.8
199.03880	0.7
205.04935	100.0
206.05292	4.1
207.06506	2.3
219.06496	12.1
231.06500	1.4
233.08005	3.1
235.06000	0.9
247.09628	1.6
263.09000	0.7
271.09613	2.2
285.11316	0.9
327.15860	19.0
328.16272	1.9
330.57877	0.6
376.25974	1.5
376.34158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29609	2.3
57.07075	8.3
63.17780	1.9
67.05485	3.0
69.07072	3.8
70.16714	4.4
81.07075	2.9
82.45271	1.8
93.07042	4.2
95.08625	3.4
98.23351	2.8
109.10140	8.2
110.10476	4.5
112.67645	1.7
117.81613	2.0
121.06521	4.8
121.10152	3.3
123.11749	2.4
131.04950	2.7
133.99713	1.8
134.03609	2.1
147.04301	1.7
149.05965	3.6
162.03149	8.0
173.98518	1.8
175.31529	1.9
190.02591	15.4
191.87315	1.9
205.04953	100.0
206.05316	4.7
207.06442	2.6
217.04933	3.7
218.05292	4.8
219.06580	7.1
221.03867	2.2
233.08098	3.5
235.06064	2.6
253.53749	1.9
327.15796	8.1
372.60132	1.8
376.17874	7.7
376.25830	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	376.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32084	0.5
56.96291	1.1
56.96558	20.2
57.07063	1.7
58.06586	0.8
58.28537	0.5
67.05519	0.8
67.63203	0.6
70.06567	2.2
71.06896	0.7
71.95245	1.3
72.96040	0.8
74.97584	0.9
84.95995	1.1
88.07610	2.5
94.49107	0.6
97.96799	3.4
98.97543	0.8
102.09163	1.4
105.00089	0.6
110.97559	6.1
113.07117	1.6
115.97866	3.1
123.01204	0.8
128.97720	1.0
128.98593	9.7
133.98857	1.3
137.02722	0.9
143.00110	0.7
146.99623	8.1
151.04271	0.9
155.03842	0.9
161.01196	2.4
165.00685	1.5
170.01225	0.7
171.03340	1.1
171.93741	0.7
175.02701	0.7
186.86015	0.6
189.04288	2.2
190.05151	1.4
203.05913	1.6
211.09953	0.6
223.08452	0.8
226.27997	0.6
263.09601	2.6
277.11090	2.7
292.20270	0.8
298.02390	0.7
313.32758	3.3
314.33322	1.1
317.17819	30.4
318.18118	1.1
329.55585	0.7
333.17340	3.0
335.18878	100.0
336.19229	5.8
353.19937	26.9
354.20300	1.4
357.35300	0.9
358.20493	10.9
359.20782	0.9
375.36530	11.3
376.21515	1.7
376.25787	1.3
376.36813	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	376.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	41.2
57.07065	1.9
67.05499	0.7
71.75267	0.7
71.95253	2.2
72.96008	1.3
74.97598	1.4
80.94830	1.0
84.95988	0.7
86.09682	0.7
88.07616	2.6
88.11260	1.4
92.98693	0.9
95.08611	0.9
97.96783	1.7
98.23442	1.4
110.97575	1.8
115.00684	1.6
119.01717	1.2
123.01149	2.0
128.98601	3.2
137.02756	1.9
146.99704	1.8
155.03757	1.6
159.03339	0.9
161.01396	0.8
165.12688	0.9
169.05397	0.8
174.37036	0.9
185.04909	1.0
189.04343	1.2
189.07968	3.5
191.09435	0.8
195.06842	1.3
201.10359	0.7
203.06058	0.9
203.09531	1.2
207.08958	1.6
211.09959	0.9
213.07961	3.2
221.08508	1.1
225.08060	1.5
227.09506	1.9
231.09071	5.3
235.10083	1.3
239.09494	10.0
241.11055	6.0
243.09155	0.7
245.10565	1.9
251.09590	3.3
253.11127	13.8
254.11610	1.1
257.10556	5.0
259.12173	6.7
269.10596	10.0
271.12140	8.7
276.12906	1.2
287.11548	2.3
305.17880	2.2
307.19360	1.1
313.32892	1.9
317.17941	1.6
323.18954	5.8
324.19150	0.9
327.34448	1.0
332.50113	0.9
335.18884	36.1
336.19226	2.3
341.20020	1.0
346.20499	0.8
353.19968	100.0
354.20258	5.7
371.20944	8.6
375.36682	8.3
376.21606	10.1
376.25757	1.3
376.36774	2.1
377.21915	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	40.8
58.07406	0.6
67.84309	0.1
69.67722	0.4
69.68108	0.3
78.74990	0.1
78.86460	0.2
80.05016	0.2
84.08147	0.2
87.04475	0.2
94.82285	0.2
102.09169	0.2
107.06086	0.2
108.04471	0.5
119.09449	0.2
119.13032	0.2
124.08714	0.5
125.07095	5.0
125.07978	0.3
126.05494	4.2
127.05860	0.2
134.07181	0.3
135.05560	0.4
176.09515	0.2
191.11787	1.2
192.10158	0.5
208.14406	2.3
209.12816	11.3
210.11255	0.9
210.13100	0.3
218.12859	4.4
219.11263	2.7
219.13257	0.3
228.11279	0.2
260.15170	1.2
261.15848	0.2
274.19092	0.5
275.14423	0.4
275.17487	7.1
276.17838	0.5
292.20160	8.3
293.18451	6.6
294.18994	0.3
302.18567	14.5
303.18890	0.6
316.20532	0.2
343.22366	0.6
358.24832	1.0
376.25873	100.0
377.26169	6.7
394.26910	4.3
395.27383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	23.2
57.07057	16.5
59.04999	9.0
66.28124	8.1
67.05498	77.6
67.22849	7.9
69.54163	28.4
71.04979	61.5
71.08640	8.9
71.88600	8.1
72.11005	8.3
72.57693	7.9
73.76241	8.1
81.07042	42.9
83.08595	8.7
91.05399	7.9
91.49162	8.2
93.07000	10.3
97.10178	17.6
98.22732	13.9
99.08099	10.0
107.08569	9.8
109.10153	62.9
116.73923	8.1
125.09610	16.7
152.29083	8.3
155.10645	9.6
173.11722	100.0
187.13297	53.5
203.12724	24.1
205.05035	41.9
234.61551	9.9
242.84386	9.3
277.21542	18.5
278.53165	10.1
321.90781	7.6
323.65756	8.8
376.25674	16.2
377.22913	13.1
381.25388	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	376.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05501	3.9
56.96546	2.7
57.07068	5.8
60.55018	1.2
64.76621	1.1
67.05495	9.0
69.06771	1.1
69.07067	13.6
69.24879	2.9
69.25289	4.7
70.06545	1.6
71.08622	36.4
79.05473	4.3
79.11485	1.2
81.07041	11.7
83.08629	1.5
84.08128	1.5
85.06534	2.5
86.09687	12.6
88.11256	100.0
89.11576	1.8
91.05469	4.1
93.06512	1.6
93.07031	10.8
95.04954	13.7
95.08583	10.3
97.06496	4.1
98.22676	2.6
98.77753	1.0
99.08087	4.3
101.58897	1.0
105.07012	5.4
107.08575	10.4
109.06502	22.0
109.10129	4.5
111.08072	1.3
114.09214	1.5
119.08565	4.9
121.06462	2.4
121.10125	3.2
123.08086	1.8
123.11651	1.8
131.08560	3.4
133.10109	4.7
135.08017	2.0
137.09634	1.3
142.12234	1.2
145.10081	3.1
147.11644	1.6
149.13216	4.2
156.13841	5.6
159.11662	1.7
161.99004	1.3
163.11076	1.6
163.14804	2.6
165.12729	67.3
166.13089	2.1
170.15379	1.4
173.13252	5.8
175.11186	2.4
184.13327	4.5
184.16957	2.3
191.14241	6.7
198.18471	1.8
201.12718	5.1
202.29546	1.2
215.14256	2.2
222.18422	1.8
224.20064	7.4
229.19453	2.3
245.79924	1.1
253.19446	1.3
254.21114	4.3
262.21555	3.7
271.20584	4.5
278.24692	18.5
279.24954	1.6
289.21579	8.0
314.33170	2.0
317.17834	4.4
335.18790	14.0
353.19891	2.9
358.20404	1.5
358.30893	4.0
366.33151	1.3
376.24872	2.6
376.31989	33.2
376.36780	6.0
377.32446	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	377.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	23.6
60.78147	1.3
70.96626	1.3
71.40793	1.8
72.08149	2.6
80.50934	1.6
84.04507	1.7
84.08121	2.0
84.96023	35.2
84.96505	2.6
95.04956	4.5
97.33769	1.9
98.97569	70.6
101.00917	1.7
102.97060	3.7
110.97577	5.6
115.54008	1.6
116.98610	33.4
117.35046	1.5
120.98019	1.7
124.99142	3.2
127.00690	1.6
128.98587	5.9
130.05028	1.6
134.78041	1.4
134.99651	13.3
143.00154	10.8
145.01726	2.3
146.99664	4.3
147.03304	3.7
149.04857	1.7
150.00572	2.0
151.00621	3.2
153.02168	4.0
153.50650	1.5
154.93297	3.2
155.00153	1.9
157.03552	2.0
158.99651	8.1
161.01207	3.8
161.02901	2.1
169.01704	21.2
171.03362	4.7
172.94334	5.1
173.01205	9.4
173.02562	1.7
175.07649	1.5
177.00740	10.2
179.00203	1.6
180.97670	1.5
187.02782	43.5
187.04433	3.4
190.95284	2.6
191.02229	9.3
196.94385	2.7
197.01201	38.6
197.03004	2.3
203.03947	2.4
205.03761	8.4
214.95355	13.3
215.02254	95.8
216.02693	2.3
219.01755	2.1
229.03804	11.6
232.96452	28.7
233.03308	25.3
237.02782	3.9
238.03845	2.7
245.05086	6.4
246.98021	2.4
250.97522	7.5
253.07591	2.0
256.96533	3.9
257.03308	100.0
258.03577	4.1
268.96527	4.7
271.08539	1.8
274.97455	9.4
275.04294	21.5
286.97464	21.6
292.98343	2.1
297.06390	5.7
304.98578	6.4
316.98843	2.2
317.04932	3.6
334.99738	2.4
335.08304	7.9
353.01123	1.7
370.92139	2.5
376.19528	2.0
377.08566	3.3
377.13562	3.8
392.85999	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96007	1.7
55.01854	4.3
56.96558	19.6
70.10624	1.5
84.04500	5.2
84.96028	24.9
91.05463	2.0
95.04960	5.6
97.02892	2.1
98.97572	61.2
99.40491	1.6
101.00827	2.2
102.47358	1.7
102.97029	2.4
103.05424	1.8
107.04943	2.8
110.97562	5.6
111.28727	1.6
116.98609	26.1
119.08532	1.9
124.99131	2.4
128.98578	5.0
129.02263	2.8
129.07025	3.9
130.04962	5.3
131.01903	2.7
134.99632	4.8
141.06955	1.8
143.00159	8.6
145.03389	2.0
146.99669	3.2
147.08035	2.2
151.00702	3.2
153.02216	1.6
154.93239	2.0
155.01933	2.1
157.03474	2.1
157.06493	5.8
158.98485	1.7
158.99626	8.4
159.08083	2.6
161.01215	6.3
161.02940	4.3
167.49384	1.6
169.01701	20.4
171.03151	3.4
172.94362	5.1
173.01186	7.7
173.02867	2.7
175.07550	5.1
177.00745	8.3
185.05965	5.2
187.02779	37.3
187.04428	3.6
190.95320	2.3
191.02228	7.3
196.94452	3.1
197.01161	31.6
197.02641	2.4
203.04041	2.0
203.07013	2.7
203.19377	1.4
205.03801	7.4
208.95998	1.9
211.02722	1.6
214.95398	14.4
215.02243	79.8
216.98654	3.4
219.01929	2.5
221.05038	3.5
229.03789	6.9
231.06493	2.5
232.96436	29.0
233.03252	19.1
237.02779	2.5
245.05130	10.7
249.98683	1.9
250.97542	6.1
253.07391	2.0
256.96451	5.6
257.03299	100.0
258.03668	5.7
259.06519	4.7
268.96384	3.7
271.08588	2.7
274.97461	11.5
275.04288	16.9
286.97476	17.8
287.06091	2.3
292.98557	4.0
297.06424	4.8
304.98569	6.3
316.98883	2.5
317.04922	3.7
334.99402	3.7
335.08344	18.7
336.08328	4.3
353.00543	1.9
360.10846	10.0
370.92099	1.7
377.08813	3.5
377.13315	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	377.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.5
56.96558	22.3
69.28611	6.4
70.06564	1.9
72.08125	1.4
76.38765	1.4
84.04480	7.7
84.08127	2.1
84.96026	29.2
84.96507	2.4
86.09691	1.6
91.05486	2.5
95.04956	6.7
97.02885	2.4
98.97572	64.1
101.00883	2.2
101.07160	2.0
102.97059	3.2
107.04952	2.0
110.97552	5.0
115.29449	1.2
116.98606	31.5
119.01899	4.1
121.06481	1.9
124.99130	2.4
127.00675	2.9
128.98602	8.2
129.02151	2.3
129.07008	6.6
130.05013	9.3
133.06529	2.0
134.99623	8.5
136.06264	1.5
141.06941	3.5
143.00191	10.0
143.01877	2.7
145.01743	1.9
145.03470	1.7
145.06474	1.7
146.99669	3.6
147.07994	4.4
151.00713	3.0
153.02261	3.4
154.93263	3.4
155.00163	2.7
155.01839	2.9
157.03484	3.1
157.06479	11.4
158.99675	7.5
159.07990	2.4
161.01227	7.1
161.02899	3.5
161.05948	2.3
169.01720	19.6
169.03271	3.0
170.28687	1.4
171.03261	3.7
172.94354	5.2
172.99771	1.8
173.01195	8.1
173.02956	5.5
175.07536	6.0
177.00719	10.2
179.00212	1.8
185.02910	2.1
185.05952	8.1
187.02777	37.8
190.95354	4.3
191.02267	6.0
196.94408	4.3
197.01202	31.7
197.02878	3.0
203.03976	3.7
203.07051	4.9
205.03731	10.3
208.96120	1.9
213.05492	2.7
214.95401	16.4
215.02246	87.4
216.02582	2.5
219.01714	3.2
221.03072	2.0
221.05029	3.6
226.95340	2.2
229.03825	6.6
231.06470	3.4
232.96425	32.0
233.03276	24.6
237.02831	5.6
238.03690	1.8
239.03325	1.3
244.96301	1.7
245.05078	22.8
248.09116	1.7
250.97447	7.6
253.07404	3.3
256.96503	6.7
257.03299	100.0
258.03711	2.7
259.06641	8.1
268.96460	4.3
270.99847	2.6
271.08676	2.3
274.97409	14.1
275.04300	16.8
277.00876	1.7
279.05286	1.8
286.97476	22.9
288.91864	1.7
292.98563	3.7
297.06409	4.7
299.05933	1.9
304.98346	8.2
314.10330	2.2
316.98581	3.0
317.07074	5.4
328.90836	2.4
334.99646	2.6
335.08331	20.5
360.10770	19.0
370.91928	4.2
376.19727	2.0
377.08316	5.8
377.13345	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	377.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01865	3.0
56.96558	1.7
69.14317	9.6
71.05001	2.4
71.90269	1.5
76.34142	1.4
79.05511	2.1
83.04958	2.4
85.02887	2.0
87.04470	1.6
93.07029	2.0
99.04451	4.6
102.62228	1.8
103.05447	11.6
109.02873	4.1
115.03926	6.3
120.36718	1.7
129.06987	2.1
135.04305	1.8
146.06010	4.8
147.06349	4.5
149.05969	1.7
153.06915	1.6
154.07414	1.7
163.03854	2.3
163.07523	4.5
165.06995	4.1
166.07330	4.0
167.08594	2.3
182.06943	1.8
184.04762	1.9
184.08374	2.3
185.02090	4.7
185.05948	2.1
194.06766	4.2
195.07957	2.7
196.08426	4.0
197.04233	4.2
197.12932	2.6
198.06245	3.3
203.07108	3.1
211.07553	4.7
212.07930	5.8
215.03157	21.1
215.05309	6.6
215.13951	2.9
219.01970	1.5
235.07605	2.1
237.02933	2.0
240.07449	2.4
253.08429	3.1
254.08998	5.0
264.07483	2.5
268.06866	2.3
268.10477	2.6
272.09921	2.3
284.40213	1.7
314.11038	1.8
359.07397	5.1
359.12326	2.1
376.13834	3.9
377.08383	100.0
377.13934	21.7
378.08636	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	377.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79847	0.6
62.89711	0.7
64.93238	0.6
70.06587	1.3
82.41552	0.6
83.04969	1.0
84.50648	0.6
85.02886	0.6
86.09700	0.8
99.04436	3.3
100.04764	0.7
127.03954	1.2
135.04291	0.7
137.05942	0.7
163.03859	2.3
170.82529	0.9
177.09116	4.0
179.03181	1.3
185.02045	3.7
197.04230	3.0
214.23967	0.6
215.05263	7.6
221.02892	0.7
305.42657	0.6
311.88977	0.6
345.10623	0.6
351.58057	0.6
359.07364	4.2
377.08386	100.0
378.08508	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	377.084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82057	4.1
56.96558	8.1
69.71403	15.9
91.93977	3.8
92.34968	4.4
98.22758	5.5
98.97549	7.9
111.15717	3.7
137.05989	7.4
146.06046	3.6
153.05440	9.0
215.03159	80.3
215.94073	4.2
302.55701	4.1
377.08243	100.0
377.18207	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	377.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	9.6
62.69798	3.0
63.84006	3.1
70.09467	6.7
71.01167	2.7
72.82624	2.7
81.60939	3.0
84.96005	2.8
98.97578	26.5
110.97535	7.6
116.98601	8.4
128.98615	7.9
154.93231	4.6
169.01787	4.4
172.94322	7.0
173.01163	5.5
177.00766	2.9
181.77147	2.9
183.32938	3.2
187.02701	3.5
196.94339	8.7
197.01196	7.7
198.73836	3.2
214.95390	20.8
215.02208	14.7
216.96979	3.2
232.96451	24.2
233.03265	3.9
236.91179	3.2
237.02872	4.5
250.97467	4.4
256.96378	5.9
257.03329	8.8
274.97522	11.7
281.05524	4.8
286.97458	21.4
304.98526	3.9
377.08398	100.0
377.12366	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	377.1454
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03938	1.9
53.39180	0.3
55.01833	0.6
57.03432	8.0
59.04977	0.8
61.02920	4.5
69.03422	15.2
69.16383	2.1
70.06567	0.4
71.01342	3.3
71.04989	3.1
73.02879	1.5
75.04476	2.1
81.02979	0.3
81.03409	4.3
87.04424	0.7
99.04449	6.3
103.05437	0.4
117.05463	1.5
118.06543	0.3
123.55657	0.3
130.06548	0.4
137.05946	1.5
138.06282	0.6
145.07571	2.2
147.09120	0.4
151.03902	0.4
157.06314	0.8
157.07530	0.4
159.09103	0.6
170.07117	1.7
172.08673	34.0
173.07100	0.4
173.09010	1.2
174.10219	0.4
175.08650	0.8
179.79977	0.4
181.00171	0.3
190.09714	1.8
197.09386	0.7
198.06607	6.6
198.10243	0.6
200.08163	6.2
214.09753	0.4
216.07654	17.9
217.08057	0.5
218.09319	0.8
243.08736	76.8
244.07031	1.1
244.09177	2.8
252.11407	0.4
285.09521	0.3
316.13092	0.5
359.13428	3.7
377.14499	100.0
378.14792	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1593
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
51.02415	1.0
53.03966	1.4
55.01916	6.3
65.03695	0.8
65.03937	3.4
67.05545	3.1
71.01344	7.3
77.03951	1.6
78.04742	1.2
79.05481	15.4
81.07088	1.1
89.04003	0.6
91.05465	11.9
93.03445	2.7
93.07078	2.1
95.04956	12.6
95.05495	0.9
97.58656	0.7
98.46732	0.6
103.05455	25.0
104.05750	0.7
105.04546	2.1
105.07024	9.4
105.07600	0.7
106.04169	0.9
107.04941	74.4
107.08617	1.8
108.02126	2.3
108.05311	1.5
109.06544	0.9
109.10132	0.8
110.03676	1.0
111.04459	3.1
115.05431	7.6
117.03392	1.5
117.07014	3.3
118.04182	2.5
119.04951	4.3
120.05752	2.1
121.06486	9.0
121.07178	0.8
122.03656	1.8
123.04414	5.8
124.05239	1.1
125.05971	6.4
129.06992	1.3
131.04915	7.8
131.08578	1.2
133.02829	6.3
133.06485	3.6
134.07162	0.7
135.04402	10.9
135.08026	15.4
137.05956	27.2
138.02937	0.7
138.06750	3.5
141.05432	3.2
145.06528	1.1
145.07643	2.0
146.03578	3.7
146.07227	1.1
147.04410	6.5
147.08034	1.3
148.05162	1.4
149.05966	16.3
150.06720	5.1
151.03893	100.0
151.04997	10.5
151.07530	3.0
152.04272	2.4
153.05446	9.6
161.05968	16.5
161.09601	3.7
162.06268	0.7
163.03912	5.9
163.07523	96.9
164.07890	4.0
165.05455	4.9
165.09087	1.0
166.06161	1.4
167.07045	7.5
174.06744	2.0
175.07526	2.3
177.05466	6.0
178.06238	22.8
179.06976	6.2
181.08571	45.3
182.09338	8.0
183.10004	1.2
189.05437	3.9
189.09065	10.2
191.07028	1.9
193.08502	0.8
195.06512	11.4
195.09976	1.1
196.07283	15.4
203.06938	0.8
207.10150	8.7
217.08482	1.6
235.09535	2.1
239.06990	0.6
283.09372	2.4
283.12982	1.7
285.11362	0.7
297.11206	0.9
297.87708	0.8
303.41724	0.7
309.10931	0.9
311.12442	1.9
313.10428	0.7
327.12344	4.2
329.13815	4.8
331.14917	1.2
359.14661	3.4
377.15561	3.5
377.22342	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	377.1591
Annotation	(+)-Cycloolivil
Peak:m/z	Relative Intensity
55.01863	2.2
55.05495	5.2
57.07068	2.5
67.05488	5.9
69.03419	3.1
69.07048	3.3
71.04984	16.4
73.06540	2.9
73.07106	1.4
73.89693	1.3
79.05477	6.4
81.07047	6.3
83.04960	5.3
83.08610	3.6
84.88557	1.5
85.06533	10.0
85.50436	1.7
91.05465	3.6
93.07053	3.6
95.04978	1.9
95.08579	4.2
97.06519	2.3
97.10165	5.8
103.05459	2.9
104.36011	1.5
105.07014	3.7
107.04949	4.5
107.08593	23.3
109.06525	2.9
109.10154	12.5
119.04877	1.6
121.06496	4.1
121.10120	1.4
125.09625	30.6
127.11166	4.0
131.04880	2.9
133.02831	19.1
134.03589	1.8
135.04442	1.6
137.05980	7.8
139.11098	1.7
143.10663	37.5
149.05975	3.5
150.03110	5.9
151.03850	4.9
153.06898	1.7
159.04413	2.4
161.05981	6.4
162.03093	6.7
163.07507	3.6
165.05530	4.1
174.03159	1.9
177.05435	2.9
181.05022	2.4
181.06471	8.1
185.02309	1.5
185.09525	1.7
189.05515	3.4
190.02583	13.8
193.05000	8.4
194.02066	2.5
198.06761	2.0
199.03972	6.2
203.07004	1.5
205.04942	100.0
206.05316	4.7
209.05978	2.8
211.07614	1.8
213.05498	3.6
213.09081	2.5
217.04951	18.6
219.02852	11.2
219.06488	6.1
220.52052	1.6
221.04437	18.5
222.01495	2.4
222.24548	1.4
226.06386	1.9
229.04921	3.4
231.06509	5.0
233.04509	1.7
233.08125	2.5
235.05907	3.3
241.08531	3.7
243.06573	6.9
245.08119	5.7
247.09630	2.4
254.05653	2.3
257.08115	3.3
259.05981	7.6
259.09668	2.8
269.08081	25.5
270.08209	2.8
271.09589	27.4
272.09882	3.6
273.11087	2.0
283.09555	6.3
289.10669	7.4
299.09109	2.9
299.12805	3.4
301.10782	2.9
311.12772	2.1
313.14398	4.2
317.13870	2.3
323.12695	7.2
329.13895	2.4
341.13800	34.2
342.14203	3.0
359.14783	4.6
377.15918	59.2
378.16418	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	377.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85089	1.3
55.01853	1.2
55.05511	8.5
57.07074	3.3
59.04993	1.1
59.87424	1.2
61.03749	1.2
65.03936	1.1
67.05499	6.8
69.03417	4.5
69.07059	4.0
69.21353	7.1
71.04980	26.3
73.06548	6.3
74.26469	1.1
79.05473	3.8
81.07039	8.4
83.04973	5.5
83.08596	5.9
85.06520	12.7
91.05476	5.7
93.04462	1.1
93.07022	2.8
95.04969	2.2
95.08591	2.6
97.06524	2.5
97.10157	11.0
98.23123	4.9
103.05469	1.2
105.07029	3.7
107.04958	1.4
107.08573	34.7
108.08945	1.5
109.06505	2.3
109.10150	18.5
119.05009	1.1
121.06503	4.9
121.10138	2.2
123.04370	1.0
123.21079	1.1
125.08695	2.7
125.09608	53.2
126.09959	2.1
127.11169	8.6
131.04916	3.0
132.39212	1.1
133.02824	11.2
133.03596	1.1
137.05940	2.7
139.11171	3.5
141.06982	1.2
143.10655	100.0
143.81120	1.2
144.11012	2.3
147.04500	1.8
149.05945	1.6
150.03130	3.4
151.03984	1.2
153.07008	1.3
157.06453	1.4
159.04367	1.7
159.08054	1.7
161.05975	8.4
162.03130	6.5
163.03838	1.2
165.05469	4.0
168.85216	1.3
177.05473	2.4
181.05016	1.7
181.06470	5.1
189.05493	4.8
190.02586	13.0
191.03369	1.2
193.05016	5.7
194.02054	2.3
198.06718	2.5
199.03969	3.5
199.07381	1.1
202.02577	1.5
203.06870	1.4
203.89815	1.1
205.04935	78.5
206.05301	3.3
213.05376	2.2
213.09102	2.0
217.04933	38.6
218.05241	1.4
219.02902	7.2
219.06581	4.0
221.04433	11.2
221.55275	1.1
222.01505	2.2
226.06197	3.1
227.06929	1.3
229.04970	3.3
231.06534	2.7
233.04437	4.6
233.08154	1.3
235.06032	5.0
237.03780	5.3
241.08546	2.5
243.06488	7.5
244.07039	1.9
245.08078	4.9
254.05569	1.5
257.08026	3.2
259.06009	5.9
259.09326	1.1
269.08069	20.7
270.08417	1.4
271.09650	21.5
272.09891	1.6
273.07416	2.0
273.11337	3.5
283.80750	1.2
285.07468	1.4
289.10568	1.4
299.09290	2.3
299.12811	3.2
313.14230	1.7
323.12701	4.9
329.13858	3.3
341.13708	12.6
359.14841	2.1
368.04126	1.4
377.15891	15.4
378.16345	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1592
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
55.01853	5.4
58.64884	0.8
65.03941	3.6
67.05495	2.9
69.03419	0.8
69.56011	2.0
69.56419	1.7
70.06551	0.9
71.01337	6.2
77.03923	2.2
79.05482	16.0
91.05466	11.3
93.03397	2.8
93.07013	2.6
94.04175	1.2
95.04954	10.8
103.05451	28.5
104.06294	1.8
105.03415	0.9
105.04502	3.1
105.07026	9.5
107.04941	76.6
107.08604	1.0
108.02074	1.2
108.05274	2.8
109.02857	1.4
109.06511	1.7
110.03649	1.4
111.04443	3.5
115.05444	9.2
117.03387	1.9
117.06997	3.2
118.04167	3.4
119.04906	5.3
120.05700	2.2
121.06488	9.9
122.03640	2.1
123.04380	6.5
124.05244	1.1
125.05988	6.5
126.32289	0.8
129.06975	1.3
131.04919	9.3
132.05705	1.4
133.02852	6.6
133.06462	4.7
135.04407	14.3
135.08034	17.3
137.05959	31.7
138.06842	3.9
141.05394	2.2
145.06474	1.3
145.07552	1.7
146.03595	2.6
147.04399	7.7
147.08044	1.3
148.05215	0.8
149.05939	14.2
150.06749	5.4
151.03891	100.0
151.04987	9.6
151.07468	4.8
152.04242	2.8
153.05432	10.2
155.98111	0.8
161.05957	19.0
161.09602	4.2
162.06421	1.2
163.03902	6.1
163.07520	96.8
164.07896	4.0
165.05495	5.6
166.06125	1.1
167.07022	7.4
174.06778	2.5
175.07564	3.2
177.05431	6.1
178.06226	22.0
179.07037	6.8
181.08572	44.2
182.09357	5.1
189.05431	3.1
189.09093	11.7
191.07037	2.1
195.06500	11.4
195.10242	1.2
196.07309	15.0
207.10121	9.3
215.83202	0.9
217.08350	1.0
235.09657	1.9
279.35236	1.0
283.09564	3.2
283.13110	1.9
285.11386	0.9
287.12772	1.2
309.11301	1.5
311.12686	2.0
327.12271	3.8
329.13611	4.6
341.13754	1.6
359.14905	2.5
372.85312	0.8
377.21933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1592
Annotation	GGBCE
Peak:m/z	Relative Intensity
50.01589	0.7
53.03934	1.7
55.01864	5.7
57.03415	1.0
58.59549	0.7
65.03927	4.2
65.15319	0.9
66.92204	0.8
67.05495	2.7
69.03411	1.6
71.01344	7.1
71.43644	0.8
77.03910	1.6
79.05482	17.5
81.07034	1.5
84.85847	0.8
89.03934	0.9
91.05484	11.0
93.03383	2.0
93.07032	3.8
94.04163	1.3
95.04955	12.3
99.19226	0.7
103.05453	25.5
105.04500	1.5
105.07018	8.4
107.04942	77.5
107.08564	3.4
108.02077	1.9
108.05248	1.4
109.02877	0.9
109.06491	1.3
109.10165	1.1
111.04411	4.3
115.05430	6.6
116.06209	1.0
117.07021	2.2
118.04138	1.8
119.04921	4.4
120.05701	2.2
121.06492	10.6
121.10138	1.8
122.03640	2.1
123.04395	5.1
124.05210	1.5
125.05961	8.1
131.04895	10.2
132.05716	1.0
133.01942	1.2
133.02818	6.4
133.06491	4.7
135.04416	12.1
135.08029	18.6
136.05104	0.8
137.05962	27.3
138.06721	3.3
141.05457	2.6
144.44133	0.8
145.06502	1.5
145.07611	2.0
146.03604	3.2
147.04366	5.9
147.07990	1.4
148.05157	1.5
149.05969	15.3
150.03072	1.2
150.06784	5.0
151.03893	97.5
151.04985	8.8
151.07516	3.6
152.04201	3.9
153.05438	12.6
153.09015	0.8
161.05969	15.5
161.09544	4.2
162.03119	0.9
162.06357	0.9
163.03905	6.2
163.07516	100.0
164.07878	3.9
165.05461	7.1
165.06856	1.2
165.09175	1.0
166.06335	1.1
167.07016	6.9
174.06801	1.0
175.07584	3.9
177.05473	7.5
178.06229	21.8
179.07011	7.0
181.04984	2.1
181.08569	45.7
182.09311	6.8
189.05450	3.1
189.09081	10.3
191.06992	3.2
195.06494	11.7
195.08098	1.2
195.10008	0.8
195.44659	0.8
196.07280	11.3
205.04874	9.8
207.10106	8.1
217.08563	1.1
231.06406	1.5
235.09505	1.4
281.11676	0.9
283.09644	2.4
283.13141	1.6
309.11053	2.0
311.12885	1.7
327.12302	4.2
329.13782	4.0
341.13791	2.3
359.14777	3.6
377.11697	1.4
377.16010	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54841	0.5
53.00290	0.6
53.03941	2.2
55.05515	0.5
57.01982	0.5
59.01381	0.7
59.04992	0.9
65.03924	1.8
67.05488	2.1
69.45169	2.1
73.78322	0.5
75.11678	0.5
79.05501	0.7
81.03409	3.7
81.07053	4.5
83.04954	0.9
93.03405	3.0
93.07014	1.7
95.01329	6.1
95.04950	2.0
95.08610	1.2
97.06506	0.6
107.08569	1.3
109.10133	4.2
111.04424	1.5
113.02350	5.4
121.02852	3.3
121.06485	1.3
121.10127	1.2
123.11702	9.8
127.03902	5.1
131.03404	3.3
134.80391	0.5
135.04375	0.8
135.11664	2.2
137.09595	0.7
139.03909	2.4
145.04910	1.0
149.02299	3.3
153.05432	4.6
155.03400	0.7
161.06006	0.6
167.03383	70.4
168.03705	2.4
177.01761	1.1
177.05458	0.7
181.04930	22.2
183.02852	0.8
193.04991	0.7
195.02911	1.8
201.05392	1.5
205.04967	5.0
207.06647	0.7
209.04431	46.5
210.04768	2.0
215.07016	0.7
219.06535	1.1
221.04405	0.5
223.02238	2.9
231.41348	0.6
237.03909	100.0
238.04294	6.0
243.06485	0.8
249.07692	0.7
251.05531	2.3
255.04979	7.5
275.09082	0.5
279.08557	1.5
291.08655	1.5
299.12177	0.6
303.08646	3.5
309.09818	0.7
329.02670	0.6
329.13623	0.7
331.06299	0.7
341.13831	1.0
354.08014	1.0
355.45856	0.6
359.14825	5.7
377.15915	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	377.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.6
57.07062	7.9
63.62777	4.4
67.05506	29.5
68.29144	4.4
69.07065	29.0
70.06585	4.9
70.36068	4.4
70.56219	7.5
71.04994	5.8
78.48883	4.7
79.05499	44.4
81.03403	5.9
81.07057	79.3
83.04974	12.0
83.08636	9.5
91.05484	29.2
93.07037	50.5
95.04976	24.6
95.08607	64.1
105.03345	6.4
105.04560	5.1
105.07030	25.2
107.04925	32.1
107.08608	38.6
109.02848	9.7
109.06510	15.9
109.10150	37.5
111.04436	18.8
113.68906	4.5
117.06988	14.2
119.04935	12.9
119.08566	17.6
120.55348	5.1
121.06458	22.6
121.10117	32.0
122.96749	4.3
123.04485	5.8
123.11704	33.5
129.06972	8.7
131.08566	18.7
133.06487	18.3
133.10126	11.3
135.04411	100.0
135.08069	5.5
135.11699	60.2
137.05962	5.3
137.13251	22.9
139.03891	47.3
141.06960	5.5
143.08569	15.3
144.09340	7.2
145.06499	13.7
145.10161	8.9
147.04410	15.0
147.08066	23.6
149.02408	9.0
149.05995	17.0
149.13251	19.0
151.11240	4.6
153.05402	4.6
155.08556	23.0
157.10098	13.9
159.04466	8.5
159.08017	11.4
159.11658	31.8
161.05991	19.6
161.09659	7.7
163.03906	57.9
163.07585	12.2
167.07103	9.2
169.10152	12.8
173.05968	9.2
173.09607	8.8
175.03938	5.2
175.07515	34.0
177.09128	11.5
177.12750	20.6
181.04973	26.1
183.08087	9.1
183.11636	8.1
185.09673	5.3
187.07553	16.8
187.11200	46.5
189.05492	11.2
189.09146	13.6
193.08589	13.2
195.06511	59.7
197.09679	5.8
197.13293	14.0
199.14908	5.2
201.09114	21.8
203.06975	14.2
205.12256	21.7
207.10156	13.3
209.04416	18.6
211.14783	43.5
213.16328	5.9
215.07004	16.6
215.10632	8.7
217.08572	11.1
219.17516	9.3
221.08090	14.9
229.08575	18.9
235.09656	27.1
239.14301	19.6
241.07080	10.1
243.10164	5.0
247.09708	6.6
257.08142	5.9
257.15378	31.7
261.11261	11.0
263.09219	9.0
267.13718	22.2
271.16910	29.3
272.26221	5.3
275.09079	5.0
276.01129	4.6
285.14865	83.9
289.10687	10.6
291.51993	4.8
298.20523	5.6
299.16443	8.7
303.15970	6.2
313.14243	19.4
314.33325	7.8
317.17432	21.1
327.15820	30.8
336.19214	9.7
345.17038	41.4
376.36804	32.7
377.26794	9.3
377.31659	12.2
377.37195	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	377.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66249	2.3
55.05515	22.7
57.03432	4.7
57.07059	2.7
58.23890	2.5
65.32467	2.6
67.05501	31.1
69.03411	7.3
69.07065	23.8
71.04992	22.8
72.85740	2.5
79.05485	20.2
79.06882	2.7
81.03413	3.0
81.07050	65.6
81.17911	2.5
83.04967	6.0
83.08614	19.6
85.02913	10.2
85.06537	10.3
85.10498	2.3
91.05479	25.3
93.07032	22.1
95.04964	6.7
95.08601	94.3
95.09215	4.7
97.02888	3.3
97.06519	15.8
97.10167	9.1
98.09673	3.1
98.23418	7.3
99.04446	91.5
99.08099	7.9
105.07025	27.3
107.08595	13.5
109.02913	2.8
109.06496	5.3
109.10150	12.0
111.04431	2.7
111.08082	5.3
113.09682	3.2
117.05464	14.7
117.06987	2.3
119.08567	40.3
120.08930	2.9
121.06541	3.2
121.10134	11.4
123.08060	7.7
127.03874	4.0
127.07542	3.5
133.10120	26.9
135.11676	19.5
137.09599	3.6
137.13232	23.2
151.07587	3.6
161.13243	100.0
162.13551	4.5
173.11758	3.4
179.14290	89.2
180.14624	3.7
181.12184	3.6
197.15363	23.1
243.08635	5.0
305.17413	3.3
377.11850	5.2
377.19443	3.4
378.22726	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	377.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.5
56.05030	4.0
57.07064	2.3
67.05495	13.9
69.07063	3.0
69.79022	4.7
79.05482	14.4
79.86970	1.2
81.07044	14.6
82.83362	1.3
83.04956	2.0
83.06094	32.5
83.08623	1.9
84.04493	100.0
85.02939	1.5
85.06553	1.4
91.05469	33.9
93.07031	15.8
95.08603	9.7
97.06518	3.0
97.91039	1.2
101.07125	13.8
102.05533	5.7
105.07018	34.8
106.04432	1.2
107.08584	8.6
109.10151	4.1
113.09640	1.4
114.42265	1.3
115.05402	1.4
117.07009	8.8
119.08556	30.6
121.06583	1.4
121.10150	10.2
129.06558	41.5
130.04985	95.6
131.08556	15.0
133.10110	45.6
134.10361	1.3
135.08018	2.3
135.11641	6.3
142.07765	2.2
143.08548	6.5
145.10094	13.0
147.07619	50.3
147.11655	50.6
148.12082	1.5
149.09628	2.9
157.10065	10.7
159.11682	5.8
161.09647	4.2
161.13237	5.2
163.11182	2.0
166.90932	1.2
168.06552	2.9
171.11658	17.1
172.11949	1.7
173.13214	2.7
175.11162	2.4
185.13278	3.9
187.14832	4.6
189.12798	1.7
189.16388	10.4
196.06041	2.5
202.64264	1.4
203.17926	11.2
213.16353	32.1
214.16614	2.0
231.17415	58.7
232.17821	2.5
248.20084	5.1
314.20828	1.9
332.22278	2.9
342.20593	2.0
359.23215	2.9
360.21503	9.1
364.58646	1.7
377.24380	8.8
378.32391	1.7
384.09293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	1.6
57.38250	0.5
60.41022	0.5
70.14163	1.2
71.08622	0.9
79.23328	0.5
81.07041	0.5
85.10191	0.5
89.06023	10.1
95.08591	0.6
100.90778	0.4
107.07058	1.0
115.02482	0.6
133.08554	4.0
151.09605	0.5
174.71831	0.5
177.11221	0.7
195.12263	4.8
377.26553	100.0
378.22272	0.9
378.26874	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	377.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.2
57.07069	91.8
69.07050	7.5
70.06594	3.3
71.08623	81.5
81.07057	2.6
83.08585	2.9
85.10175	47.4
87.04444	4.0
89.06020	100.0
93.43113	2.6
99.11700	6.3
107.07061	8.7
111.11644	2.3
113.13265	4.8
115.08688	6.7
119.01609	4.8
130.08620	2.8
133.08589	46.8
133.10132	2.7
151.09659	6.0
156.09288	2.5
177.11182	8.7
181.06403	2.1
195.12256	45.4
377.31705	4.1
377.38992	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	378.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07313	0.9
56.73411	1.2
57.03435	1.3
61.02913	2.1
68.59919	1.1
69.03407	3.0
70.23865	2.0
71.04962	0.9
73.02950	1.1
73.63524	1.2
75.77402	0.9
81.03411	2.3
85.02012	1.1
85.02895	11.7
93.03423	1.4
97.02883	3.4
106.62050	1.2
109.02837	1.3
110.97590	1.2
125.05991	4.2
127.03918	1.3
138.03105	1.3
145.04959	2.2
146.06131	1.2
149.02295	2.6
153.05447	100.0
154.05774	3.3
173.96729	1.0
181.04939	12.7
199.05998	34.6
200.06273	1.1
237.02788	1.1
319.10397	1.5
337.11664	1.6
378.18359	1.8
379.09848	6.0
394.72598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03402	8.1
71.17365	5.1
85.02898	18.1
91.48240	6.5
95.04953	28.6
97.02866	10.3
98.97588	6.3
123.04401	22.3
124.67215	5.8
139.03938	6.1
140.04663	100.0
147.72501	5.3
153.05449	36.7
155.07021	51.5
181.04904	20.0
185.28105	5.6
199.05992	99.2
200.06123	5.3
217.13515	6.2
337.11469	6.8
356.38705	5.3
378.08469	10.4
378.18185	14.8
379.09714	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	2.9
55.05498	4.0
55.63808	1.7
67.05499	3.6
69.03405	3.0
69.23537	1.9
69.76712	3.9
69.77091	4.3
70.06615	1.9
72.08154	25.4
79.05478	8.1
81.03422	1.9
81.07072	3.2
85.02892	8.2
86.09698	14.3
91.05478	8.5
93.07037	5.1
95.04948	2.9
95.08594	2.9
97.02908	2.8
105.07011	3.0
107.08597	18.2
109.06524	2.2
109.10153	4.4
117.07015	5.0
119.06016	2.2
120.08089	31.3
121.06479	2.4
123.04429	2.3
131.04817	2.2
135.08041	34.0
137.06006	3.3
153.09125	4.5
161.05983	2.7
163.07527	100.0
181.04942	3.1
181.08553	26.5
185.16466	7.6
199.09610	4.4
205.04947	6.2
206.05298	4.5
213.16039	4.7
217.04692	36.4
219.14969	7.4
247.14407	3.4
275.34677	1.9
290.99283	2.3
378.15182	2.5
379.05368	2.1
379.09863	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	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	2.0
70.30221	1.6
76.75290	0.6
85.02901	3.5
94.04192	1.3
97.02873	1.3
98.23380	0.9
119.04890	0.9
122.03651	2.5
131.04842	0.9
137.05954	100.0
138.06267	2.8
140.04674	1.3
146.05980	0.8
151.07492	1.0
163.07536	2.2
181.08551	10.5
199.05978	1.7
210.91896	0.7
289.11066	1.1
291.08948	1.8
309.09985	3.1
355.10687	1.0
379.15582	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.6
60.92403	1.3
67.05479	1.9
69.03416	4.1
69.30927	6.3
70.75754	1.5
71.04991	2.2
79.05472	9.5
81.03401	2.5
81.07037	3.5
83.01335	4.1
85.02888	10.0
86.14394	1.2
91.05453	6.4
92.21283	1.2
93.07037	2.6
97.02870	3.1
97.06522	3.2
99.04439	5.6
101.02342	1.3
105.07009	3.6
107.04929	2.0
107.08572	31.9
109.06513	2.9
117.06990	5.4
119.06023	2.3
125.09609	1.7
127.03900	1.6
129.22083	1.4
131.42578	1.2
132.74417	1.3
135.08020	33.8
136.02222	1.2
145.04900	1.7
153.09033	1.7
163.07513	100.0
164.07881	4.1
180.08633	2.5
181.08566	81.3
182.08900	2.0
199.09604	19.8
210.01056	1.4
230.26436	1.3
241.12532	1.6
273.25372	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97875	1.1
53.03953	2.3
55.01853	3.6
60.56005	1.0
61.02912	2.5
66.92684	1.1
67.05489	2.4
69.03414	6.4
69.67258	4.0
71.04966	2.7
78.06040	1.2
79.05472	8.2
81.03395	2.9
81.07050	3.5
82.83092	1.0
83.01328	3.5
85.02898	10.5
85.15639	1.0
91.05463	6.4
93.03368	1.3
93.07013	3.1
97.02876	3.8
97.06528	2.8
98.23470	1.8
99.04425	3.9
105.07006	3.9
107.04971	1.2
107.08578	39.7
109.06504	2.2
115.05430	2.0
117.07011	4.2
119.06039	1.2
121.06541	1.2
125.06022	1.0
125.09586	2.6
135.08023	39.6
135.68256	1.0
144.71631	1.3
145.04935	3.0
151.03851	1.1
153.09085	1.9
163.07507	100.0
164.07869	2.4
180.08670	2.3
181.08565	72.6
182.08867	1.6
199.09630	23.9
216.12267	1.2
243.08684	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	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05511	0.9
61.01156	0.9
62.46531	0.8
65.05776	0.6
69.03407	0.9
69.54192	0.7
69.54534	2.9
70.06571	2.1
72.08130	1.4
73.98492	0.7
77.03918	0.8
79.05479	12.3
79.87455	0.6
84.08118	0.9
85.02447	0.7
85.02879	3.5
86.09708	1.8
91.05476	5.1
93.07027	12.5
95.04940	2.4
97.02911	1.0
99.04417	1.1
103.05453	100.0
104.05222	1.0
104.05799	1.6
105.04527	0.8
105.07054	1.1
116.07098	1.6
121.06502	12.1
126.56435	0.7
131.04897	10.0
135.08005	4.4
136.07564	1.4
137.05977	1.8
149.05974	11.9
153.09105	1.4
163.07520	47.9
164.07896	1.7
181.08585	3.1
184.99704	0.7
217.13652	2.3
235.14481	0.9
329.44769	0.7
346.12744	0.9
378.08374	5.3
378.15274	1.2
379.09775	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	378.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07223	8.4
62.37409	8.8
70.58851	16.1
74.51408	7.4
75.75004	10.2
81.07071	10.1
87.97245	8.0
91.05500	16.6
93.07053	23.4
94.00160	8.2
105.07057	10.8
106.04795	9.7
107.08643	8.7
107.24419	7.8
109.10171	15.2
121.06504	23.0
121.10155	17.5
131.04968	11.7
133.10149	10.1
161.72696	8.2
162.03117	10.9
179.07014	15.2
190.02568	10.7
205.04947	100.0
209.61449	8.7
221.04620	9.0
237.03922	13.0
238.04257	12.7
378.22446	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	378.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46681	6.9
70.06581	13.0
70.30737	13.5
72.07664	6.1
87.45918	5.8
108.63059	5.9
156.15855	6.6
161.05862	7.5
162.21246	6.1
183.91873	6.0
190.02557	14.9
191.03313	35.4
205.04933	100.0
206.05286	9.6
231.06540	12.0
243.06514	13.9
245.08067	9.4
250.84985	7.4
257.08121	14.8
259.09753	10.7
272.25858	26.5
273.11215	12.2
301.14374	6.2
323.03644	7.9
329.13733	36.5
330.13873	8.7
343.15311	49.3
347.14905	8.3
367.59042	6.7
378.32129	74.4
379.11322	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	378.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18650	4.4
59.83284	4.3
65.46982	4.9
93.71371	4.6
96.37251	5.1
98.23194	35.4
110.71865	4.5
121.06527	6.8
121.73544	5.2
125.72620	6.3
143.78313	4.6
155.83307	5.3
162.03224	5.4
165.05350	5.0
190.02603	14.2
205.04933	100.0
205.27475	6.0
206.05228	7.2
285.11218	23.9
379.13605	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	378.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00592	1.9
57.69494	1.9
59.88878	1.8
69.15597	14.2
78.90772	1.9
79.05469	3.1
97.06561	2.3
98.22721	5.4
107.04921	4.6
107.08551	2.3
135.08014	2.0
137.05934	2.9
151.03879	4.1
151.06293	2.7
152.04169	4.1
174.96622	2.2
181.08611	2.8
181.12256	10.8
199.13297	9.1
308.17261	1.9
352.80756	2.2
363.48846	2.3
379.13565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05500	5.8
56.05027	5.1
57.07058	2.6
58.94059	1.3
59.36597	1.5
67.05488	16.0
69.07052	4.0
70.00326	1.9
70.00639	2.6
73.78557	1.4
73.80983	1.3
77.03928	1.7
79.05042	1.6
79.05485	21.6
81.07048	18.8
83.04967	2.1
83.08593	2.4
84.04494	95.8
85.02913	2.1
85.06528	4.6
86.06056	1.3
86.42966	1.2
91.05469	41.3
93.07033	22.1
95.04968	2.9
95.08591	15.0
97.06557	2.9
99.08081	2.3
102.05532	36.5
105.06339	2.9
105.07012	43.3
107.08586	14.8
109.06541	1.9
109.10146	6.2
111.07945	1.8
115.05412	1.7
117.06996	9.7
119.08569	41.3
119.15913	1.5
121.10140	15.4
123.08032	1.6
123.11732	1.5
128.06207	2.1
129.06964	9.6
130.04990	62.7
131.08548	17.6
133.10110	62.7
134.10498	1.5
135.07993	2.5
135.11658	12.4
143.08540	9.0
145.10117	19.8
147.08055	2.8
147.11665	61.3
148.06027	100.0
148.12015	4.2
149.06390	2.2
149.09550	3.1
149.13240	3.4
156.09303	2.3
157.10088	15.7
159.11694	7.2
161.09541	4.2
161.13234	7.2
163.11127	2.3
169.10037	1.6
171.11670	24.1
173.13211	4.4
175.11169	4.9
175.14758	2.3
182.08168	2.3
185.13232	5.1
187.14775	7.0
189.12715	3.4
189.16333	19.7
203.14308	4.2
203.17915	15.5
213.16347	54.2
214.16647	3.7
231.17400	78.4
232.17677	3.6
249.18372	1.3
291.62363	1.6
332.22141	3.3
360.21603	4.8
378.12558	1.6
378.22708	24.3
378.29956	3.1
378.53564	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49868	0.6
56.96561	38.0
68.65858	0.7
69.07043	1.0
69.14413	4.3
71.95258	1.8
72.96024	1.4
74.97595	1.3
75.36546	0.6
79.92787	0.6
81.07031	0.8
81.24867	0.7
84.95994	1.0
90.90907	0.6
92.98636	0.8
97.96789	3.5
98.23438	1.2
108.94703	0.6
110.97565	4.0
115.97821	2.3
123.01189	1.5
123.76933	0.6
128.98589	5.6
133.98886	0.8
136.31700	0.7
137.02725	2.2
143.00099	1.4
146.99634	4.7
155.03751	1.8
161.01178	1.5
171.03314	1.0
189.04340	1.5
221.08340	1.0
223.10045	1.7
233.45473	0.7
239.09366	0.9
241.11082	27.3
242.11424	1.0
259.12149	31.1
260.12476	1.2
264.12784	1.8
282.13651	1.9
319.19385	35.1
320.19791	2.0
337.20441	100.0
338.20782	6.1
347.25656	0.8
355.21500	82.8
356.21973	5.8
360.22003	5.4
373.22458	3.7
378.23187	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	378.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	57.7
61.30118	8.0
65.85255	8.8
67.05484	27.1
69.07059	14.6
70.62603	13.9
71.08624	51.2
79.05489	21.3
81.07051	28.1
83.08594	11.0
93.07011	20.8
95.08594	20.4
97.06550	9.4
107.08588	10.5
107.95985	9.4
121.10139	16.4
123.11697	12.6
127.44090	8.7
128.27574	8.3
133.10059	9.6
136.46983	8.6
141.12737	25.7
149.02296	10.7
165.05455	9.2
190.02612	12.1
205.04961	49.3
205.19524	12.1
223.20576	49.4
250.56371	9.3
251.20020	16.0
269.21176	9.4
325.23785	43.7
343.24744	100.0
378.26987	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	379.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	13.1
58.53735	0.6
84.96022	2.5
85.02908	1.3
97.02904	1.5
98.97569	100.0
110.97550	6.4
112.99133	1.5
116.98605	57.7
128.98593	9.4
130.93297	0.7
131.00162	1.7
133.02811	1.4
134.99632	25.0
137.05997	1.3
140.00188	0.8
140.98592	1.2
143.00198	3.8
144.98100	1.6
146.99622	4.1
147.49207	0.6
149.01227	1.8
152.98578	4.1
153.00676	2.8
158.99622	20.2
161.01227	5.8
162.99185	0.9
163.45868	0.7
170.99644	5.0
173.01202	2.4
175.02794	1.8
177.00687	22.2
179.02211	1.5
182.99625	1.8
189.00664	4.5
191.02248	1.9
193.03818	0.8
194.99649	2.8
195.01715	1.7
197.01228	0.7
199.02794	0.9
201.00655	5.3
213.00610	5.4
214.01321	0.8
217.03804	4.9
219.01730	31.7
220.02028	0.9
228.96777	0.8
232.13989	0.7
232.96458	1.0
235.04866	5.5
237.00606	1.4
237.02766	30.8
238.03062	1.1
243.01770	1.1
255.03915	1.8
259.04938	1.2
261.02786	30.7
262.03259	0.8
263.04294	1.1
277.05920	1.2
279.03848	39.7
279.06967	1.7
280.04230	1.3
281.05371	0.8
297.04980	2.2
302.04959	0.7
315.02240	1.0
319.06976	1.7
321.04904	8.2
379.09167	2.6
379.20551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
69.03397	0.4
70.06593	0.4
70.51392	0.4
70.51727	0.6
72.08128	0.4
78.04694	4.9
79.05479	4.4
80.06248	2.3
82.04182	0.3
91.05470	0.5
94.06554	1.4
95.04973	0.7
95.07349	0.8
96.04469	0.7
96.05725	0.7
99.04451	0.3
102.03756	0.6
103.05458	0.7
105.03398	0.5
105.07011	0.4
106.04163	15.7
107.04976	2.1
108.05727	4.1
117.06995	0.5
119.04980	0.3
121.02843	0.4
121.06470	0.4
122.06020	8.3
123.06799	9.4
124.05194	0.6
128.06210	0.5
129.06967	1.5
131.04913	0.5
132.04538	0.5
133.05219	6.2
133.06206	0.5
133.23299	0.3
134.03621	28.6
135.03941	0.5
140.06149	0.4
141.06961	1.1
145.06453	0.5
146.06000	2.5
147.04390	0.8
148.05109	0.4
148.07591	0.5
149.06035	0.5
149.07428	0.9
150.05444	0.4
151.06264	100.0
152.04643	0.4
152.06612	2.9
156.04424	0.4
156.05678	0.4
157.06490	2.3
159.04376	0.4
168.05659	1.6
169.06483	0.7
173.06007	0.4
182.06004	0.4
183.06796	0.4
184.05168	0.8
185.05962	1.2
186.05373	0.4
186.06836	0.5
200.07033	0.4
201.05455	0.5
202.06169	0.8
203.05682	1.9
213.05479	0.7
214.04962	0.6
229.07248	0.6
230.05699	1.2
231.08090	0.6
232.79831	0.3
244.09348	0.4
247.08377	8.3
248.08824	0.7
249.12604	0.5
258.09143	0.4
260.10648	0.5
270.09177	0.5
273.04724	0.3
273.08136	0.4
288.10086	0.5
298.08752	0.5
316.09573	1.1
324.15445	0.4
326.07971	0.4
334.10605	0.6
361.17963	0.7
376.01242	0.3
379.12793	19.9
380.13232	1.6
380.20676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1597
Annotation	Lamiol
Peak:m/z	Relative Intensity
53.03948	0.9
55.01862	5.3
57.03429	12.3
57.07070	56.9
57.37667	0.8
59.04998	2.0
60.04519	1.1
61.02921	14.3
69.03422	31.5
70.06586	1.2
71.01337	4.4
71.04994	1.2
73.02909	72.0
74.03242	1.2
78.39793	0.8
78.44910	0.7
81.03413	3.3
81.07018	0.9
83.04958	1.9
85.02899	18.2
85.06533	100.0
86.06852	1.4
87.04448	1.7
93.07030	1.9
95.04956	0.9
97.02886	24.1
97.06525	1.3
99.04440	2.3
103.07562	1.4
107.04948	0.9
107.08614	0.9
109.02870	4.0
115.03922	15.2
119.08572	1.3
121.06478	1.5
127.03902	20.3
129.07007	0.9
131.05058	1.0
131.08598	0.8
132.95854	1.2
133.04945	7.2
135.04463	0.8
145.04938	6.6
145.06023	0.8
145.06538	1.0
148.07576	0.8
154.03218	2.1
156.09433	0.9
158.97420	2.2
159.11725	1.2
161.05896	0.9
166.16380	0.8
169.08591	9.1
181.04984	0.9
187.11134	1.4
199.09662	1.1
200.03717	1.2
211.09633	1.5
216.98033	1.3
217.10622	2.2
225.08820	1.2
229.10651	6.3
234.76791	0.9
234.98978	8.8
247.11711	30.3
248.12047	1.2
249.00574	1.6
253.00000	1.0
263.06995	1.3
275.02097	2.6
281.08246	1.1
309.07825	0.8
335.04211	1.9
355.59094	0.9
379.09793	1.7
379.14102	1.2
379.18472	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1747
Annotation	Triptriolide
Peak:m/z	Relative Intensity
69.03404	1.2
69.91428	1.0
69.91774	0.7
70.31858	0.6
75.00935	0.5
79.05475	0.7
81.07027	1.9
83.01326	0.7
83.04978	0.9
91.05470	1.3
93.07022	1.9
93.26755	0.7
95.08589	1.0
96.48714	0.6
96.96471	0.7
103.05403	0.8
105.07007	2.0
107.08567	1.6
109.06494	1.3
121.06494	4.0
121.10086	0.8
131.04893	4.1
133.10091	1.1
149.05978	2.2
159.04387	1.5
162.03088	6.1
163.07574	0.9
177.05424	2.3
190.02565	16.2
193.04965	1.3
205.04926	100.0
206.05193	4.2
210.33325	0.6
219.06508	7.8
231.06458	1.2
233.08047	1.4
242.45943	0.6
245.08028	1.7
247.05956	0.8
263.09033	5.0
273.11230	2.6
275.12634	0.7
283.09467	1.0
285.11139	11.4
286.11575	0.8
301.14426	0.6
303.12216	12.3
304.12631	0.8
309.67111	0.6
313.14261	1.4
325.14313	9.0
343.15286	13.4
344.15759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2815
Annotation	1-AG
Peak:m/z	Relative Intensity
68.40285	4.3
69.18423	20.5
69.18833	8.8
98.23448	8.3
109.83254	4.4
126.16958	4.7
178.65094	4.5
180.95804	5.4
379.23749	8.9
379.28168	100.0
380.28674	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	379.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	8.0
57.03416	2.9
57.07071	42.1
59.04985	2.1
67.05209	2.2
67.05507	22.1
69.07058	33.7
71.08627	28.5
73.06527	4.5
79.05474	14.8
81.07043	23.5
83.08600	5.4
85.06513	3.5
85.10171	21.8
87.04444	2.7
89.05462	4.9
89.06018	100.0
91.05463	13.3
93.07035	30.5
93.85668	1.8
95.04939	4.6
95.08585	18.3
97.06509	3.0
99.11716	3.8
101.09642	20.1
105.07030	11.0
107.07063	3.6
107.08572	31.5
109.06499	8.5
109.10120	8.3
111.08072	4.4
117.06991	3.0
119.08521	10.0
121.06496	2.7
121.10135	16.6
123.08040	6.0
123.11662	5.9
125.09615	3.2
131.08559	5.4
133.08588	37.0
133.10130	6.5
135.08018	26.5
135.11655	7.2
137.05940	3.1
137.13318	2.7
139.07544	7.2
139.11255	2.2
141.16406	2.3
145.10136	4.0
147.11700	2.3
148.25577	2.0
149.09612	5.8
149.13257	13.3
149.14285	1.8
151.09665	3.7
152.08282	3.1
159.11734	4.9
159.63217	2.3
161.13170	3.1
163.11244	2.9
163.14752	2.6
165.09106	17.9
165.12675	4.6
171.11682	3.0
175.14816	3.2
177.11162	6.4
177.12752	6.4
179.14253	4.5
181.15852	8.3
191.14299	6.3
191.51913	2.1
203.17946	3.0
209.15363	18.5
239.14842	7.5
263.20172	3.5
269.22604	3.5
270.65836	2.0
287.23645	5.8
329.24625	4.6
347.25757	93.6
348.26175	5.5
379.24448	2.8
379.28436	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	379.2839
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.12901	1.7
55.01853	5.3
55.05508	14.1
57.07069	23.9
57.38694	1.7
65.03916	1.9
67.05493	16.2
69.07059	25.3
69.30186	8.6
71.04980	3.0
79.05482	10.6
81.07053	32.7
83.04948	5.3
83.08625	9.5
85.06540	15.3
89.06018	4.6
90.55667	1.5
91.05482	9.7
93.07028	25.9
95.04966	3.8
95.08591	26.5
97.06506	7.0
97.10144	2.1
98.23441	3.0
101.09638	1.7
101.16522	1.4
105.07027	11.2
107.08582	21.3
108.62003	1.5
109.06504	15.0
109.10148	10.4
111.04430	7.7
111.08060	5.3
117.06995	2.1
119.08540	10.8
121.06508	2.0
121.10153	11.7
123.07304	2.3
123.08033	11.4
123.11712	4.5
125.05932	8.3
125.09623	1.7
131.08583	1.9
133.10133	7.8
135.08037	25.6
135.11665	9.8
137.04927	3.4
137.05957	43.3
137.09567	3.7
137.13148	2.2
139.07515	4.4
143.20418	1.6
145.10103	2.9
147.08026	2.2
147.11684	6.9
149.09575	5.0
149.13239	6.4
151.07523	5.8
151.11134	3.7
152.08289	4.3
153.12674	2.7
157.10098	2.1
158.80045	1.7
159.11679	2.5
161.09674	3.8
161.13268	3.7
163.11163	3.4
163.14810	3.1
165.09068	12.3
165.12755	6.0
175.11168	3.6
177.12744	14.9
179.10786	1.8
179.14235	3.2
187.14679	1.6
189.12646	1.9
191.14273	3.1
193.12140	2.1
194.12958	1.8
201.14873	1.8
207.13754	5.1
209.15331	2.0
221.15431	2.0
233.18988	3.6
249.18600	2.2
263.20126	7.6
273.96225	1.6
277.17944	6.8
291.19482	2.0
301.25143	3.0
302.63007	2.0
319.26337	9.4
323.22250	3.0
329.24603	4.3
347.25757	88.0
348.26224	8.3
351.28897	26.4
352.29181	2.1
361.27390	14.4
379.28363	100.0
380.28571	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	379.2839
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01861	3.9
55.05502	19.1
57.07070	15.8
58.35132	3.4
67.05499	25.7
69.07061	24.1
71.04979	3.6
71.08624	7.4
71.43446	2.6
72.28794	3.8
79.05462	14.2
81.07050	28.0
83.04961	9.0
83.08603	7.8
85.06533	9.1
89.06034	8.4
89.65605	3.2
91.05474	12.2
93.07043	20.9
95.08601	25.6
97.06521	9.4
97.10156	4.0
105.07025	9.5
107.08582	18.0
109.06509	12.4
109.10137	9.2
111.04430	28.2
111.08065	4.1
119.08585	8.4
121.10150	9.5
123.08064	8.5
125.05994	16.8
133.08601	3.1
133.10123	5.8
135.07167	3.0
135.07974	16.0
135.11678	13.8
135.86545	2.9
137.05991	8.9
137.09602	4.3
139.07518	4.4
145.10127	6.6
147.11644	4.7
149.09641	4.4
150.43677	3.3
151.07550	3.8
151.11215	3.7
153.12744	10.2
163.11200	5.3
165.12737	4.1
167.14375	4.0
177.12744	5.1
179.14403	4.4
181.12267	8.4
189.26456	2.9
193.12334	3.6
195.13777	5.4
221.15312	6.4
221.19057	3.3
230.19398	3.0
246.84563	3.2
263.20016	4.6
296.20999	3.5
305.24683	86.3
306.25064	6.7
319.26276	23.7
329.24655	4.3
347.25748	100.0
348.25980	7.7
351.28793	25.1
361.27341	15.6
361.86572	3.1
379.28314	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.63530	0.1
69.03406	0.3
70.64862	0.4
71.05001	0.3
77.03899	0.3
81.03409	2.4
81.07040	0.3
85.02886	0.2
86.31886	0.2
95.04934	0.3
95.85255	0.2
97.06531	0.4
97.11776	0.2
99.04427	0.5
99.75121	0.2
101.42326	0.1
103.05430	1.3
107.80366	0.2
109.02858	1.7
118.52216	0.1
119.24376	0.1
125.06004	0.4
127.03901	0.4
130.06503	100.0
131.06851	3.0
139.64702	0.2
141.09050	0.6
143.07008	1.0
158.05994	0.4
172.07552	2.8
173.07848	0.3
176.07054	1.2
183.10201	0.2
187.05995	0.4
200.07062	0.3
201.11279	0.3
205.07027	0.4
315.14783	0.2
345.91730	0.2
362.12241	0.4
380.13727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
52.89219	0.1
53.03939	0.2
69.03414	0.3
69.44028	0.3
69.44436	0.5
71.04968	0.2
77.03912	0.3
81.03411	1.9
81.07045	0.4
85.02906	0.4
86.34920	0.1
90.05472	0.2
90.53381	0.2
95.04972	0.3
99.04454	0.4
103.05455	1.1
105.04520	0.2
109.02889	1.2
109.06497	0.3
114.54918	0.2
118.98637	0.2
119.08570	0.6
127.03886	0.5
128.04968	0.2
130.06511	100.0
131.05963	0.2
131.06850	3.3
137.09601	0.3
145.04976	0.2
146.05896	0.2
158.05957	0.3
165.09158	0.2
172.07526	1.1
176.07062	1.5
183.10170	0.5
201.11096	0.2
205.07057	0.4
236.50732	0.2
253.14725	0.2
266.18430	0.4
271.06033	0.2
333.36133	0.2
362.12405	0.4
380.21548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
60.04515	0.4
69.03429	0.3
69.07057	0.2
70.58344	0.3
70.58688	0.2
71.04974	0.4
77.03931	0.2
79.05499	0.2
81.03397	2.3
81.07033	0.3
85.02885	0.4
91.05475	0.2
95.04950	0.4
95.08598	0.2
97.06506	0.2
99.04443	0.6
103.05453	0.8
105.44498	0.2
107.04950	0.2
108.90079	0.2
109.02876	1.6
109.06514	0.2
115.03928	0.3
119.08548	0.3
123.07977	0.2
127.03893	1.1
130.06509	100.0
131.05948	0.3
131.06850	3.9
137.09550	0.2
146.05890	0.3
158.06032	0.3
165.09105	0.3
167.70787	0.2
172.07512	0.9
176.07028	0.9
177.05498	0.2
183.10150	0.5
187.06006	0.4
190.04904	0.2
201.11127	0.2
219.06436	0.4
226.06821	0.2
283.74414	0.2
320.11240	0.3
337.16025	0.3
344.11295	0.5
362.12323	1.4
380.10245	1.2
380.19919	0.3
381.11069	0.4
381.15552	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	380.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.5
69.03416	2.3
69.52242	5.1
79.05479	7.2
81.03419	1.8
81.07042	9.8
85.02921	3.2
91.05476	2.3
93.87299	1.1
95.04969	3.4
97.02881	16.9
103.05455	2.8
103.50902	1.4
105.03353	3.6
107.04940	5.5
109.06511	3.5
115.03907	1.1
117.06985	1.7
119.04913	2.0
123.04389	8.9
129.06978	5.3
133.02824	37.8
135.04382	3.6
137.05957	100.0
138.06288	3.0
141.06947	1.6
145.06458	1.2
147.04379	4.1
148.07558	2.1
151.03877	4.8
152.04651	3.0
153.06960	2.1
155.08482	1.6
157.06497	7.9
159.04437	1.2
161.05969	1.6
165.05479	3.7
165.06993	5.4
167.08542	2.0
168.05565	1.8
173.05981	2.4
175.03905	5.3
176.04631	1.3
178.07658	1.7
179.08595	4.0
181.06482	7.8
183.06500	44.9
183.07941	2.7
184.05133	1.7
185.05968	3.0
191.08604	4.0
193.04909	2.5
193.06508	3.9
195.08015	3.0
201.05421	2.9
203.03294	2.5
203.07095	2.5
207.08037	5.0
209.06007	1.3
211.07596	7.0
213.05389	1.5
219.08005	2.7
221.05968	3.4
225.09113	2.1
229.04865	3.8
231.06538	3.1
234.38074	1.3
235.07472	7.2
237.09183	3.1
239.07133	5.9
245.06044	1.7
249.07500	2.5
253.08549	8.3
263.07010	17.2
264.07254	1.3
265.08640	1.9
281.08017	21.0
291.06622	5.9
292.06836	1.9
294.64029	1.2
299.09137	5.2
309.07544	13.3
327.08585	8.8
345.09634	38.0
346.09970	3.0
363.10654	4.2
380.13315	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	380.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	2.8
56.91049	0.6
69.03404	1.2
69.54662	1.1
69.55048	1.0
70.42952	0.5
79.05475	2.3
81.03396	0.9
81.07043	8.8
84.08144	2.6
85.02879	3.5
95.04948	0.6
97.02872	2.5
103.05419	0.5
109.06499	5.6
113.08083	0.5
123.04419	0.8
127.03793	0.6
130.06499	2.1
133.02823	2.2
137.05951	100.0
138.06297	3.3
145.04950	0.8
147.04384	0.9
147.08170	0.5
149.38493	0.5
151.03864	0.7
165.05418	2.1
165.06758	0.7
183.06496	43.7
184.06845	1.9
218.13866	0.8
219.06445	1.2
231.06487	0.5
234.13559	0.6
235.07428	0.7
239.07086	0.7
253.09026	0.8
263.07022	1.7
281.08124	1.5
309.07449	0.8
331.49649	0.6
345.09644	3.7
380.10370	2.3
381.06992	0.5
381.11459	3.6
381.15445	0.5
389.16055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91059	2.8
55.05514	3.5
57.03424	3.2
58.70503	3.0
67.05511	8.8
69.03419	12.9
70.12981	8.5
79.05478	16.1
81.07047	9.6
83.04958	5.2
85.02900	10.9
85.47840	2.3
86.68633	2.6
91.05472	28.9
93.07037	30.3
95.04962	6.4
95.08598	14.0
96.07991	3.2
97.02883	4.8
97.06492	2.8
98.22706	3.6
98.97596	4.1
103.05472	4.9
105.07008	41.1
107.04934	6.6
107.08594	7.9
109.06519	8.9
109.10156	13.3
113.93649	2.9
116.98605	3.1
117.07018	5.5
119.08568	100.0
121.10149	15.2
123.04452	5.0
123.08029	14.8
125.05992	8.0
137.09619	9.5
139.03894	4.5
147.08017	28.8
165.09096	73.9
165.12819	3.8
174.05310	6.2
183.10233	8.2
183.13799	11.0
201.11232	8.5
219.06560	12.7
237.00679	8.1
380.10156	6.5
381.11322	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	380.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94713	1.8
54.24755	2.0
55.32041	2.0
57.03448	2.1
57.07042	1.9
58.91497	1.8
61.02915	2.8
67.05497	20.9
69.03419	5.8
69.07048	2.5
70.62119	2.2
70.71505	3.0
71.04990	3.1
79.05483	2.8
81.07043	16.1
85.02908	14.7
93.07011	4.9
95.04949	2.3
95.08588	11.7
97.02873	2.9
99.04441	5.9
99.08131	3.4
107.08541	3.0
109.10145	90.3
110.10534	2.7
119.08616	2.7
121.10113	3.9
125.05980	5.9
137.09596	100.0
137.10648	5.1
138.09967	2.8
145.04959	2.2
155.10629	38.6
165.09094	74.9
183.10144	44.3
183.11644	2.6
201.11192	75.1
219.57462	2.2
354.86899	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	380.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32613	0.9
55.05501	1.4
67.05504	1.8
69.03409	1.3
69.07055	1.4
79.05500	1.3
79.63076	1.0
81.07052	3.2
91.05471	1.9
93.07026	1.5
95.04964	2.2
95.08604	4.1
97.02899	1.2
102.18379	1.0
105.07030	2.7
107.08585	1.7
109.10149	2.4
115.91695	0.9
117.07021	1.1
119.08571	1.4
119.14735	1.0
121.10086	1.4
122.03638	3.7
131.04893	1.7
133.10114	1.0
137.05959	100.0
138.06308	1.9
145.10135	1.6
147.04393	1.2
158.73256	1.0
160.13397	1.0
163.07501	2.4
181.08574	3.9
277.45660	1.0
380.25037	1.4
381.22864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0578
Annotation	Potassium lespedezate
Peak:m/z	Relative Intensity
69.47320	4.0
70.95333	6.7
80.74776	4.2
84.08242	4.1
130.06499	97.4
131.05940	8.1
131.06851	100.0
219.00542	84.3
219.06461	6.1
365.40863	4.6
381.05762	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10233	1.9
59.33962	1.8
67.04529	1.7
69.65875	6.5
69.66264	4.2
86.90909	6.9
159.81166	2.1
185.29147	2.1
201.01530	2.7
381.07877	100.0
382.08072	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	381.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59507	6.1
78.14108	2.7
80.31559	2.7
156.29008	3.0
163.13428	3.0
180.89989	3.7
219.02600	6.6
277.45087	3.2
298.22733	3.2
381.07870	100.0
382.08188	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	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30883	1.0
51.88365	0.9
64.86359	1.0
70.49212	1.8
101.81490	0.9
130.14479	0.9
165.36151	1.0
201.01616	3.7
219.02582	4.1
307.59805	0.9
381.07889	100.0
382.08252	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	381.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02827	2.6
58.54882	2.5
67.05477	2.7
69.07017	2.3
69.14667	15.3
75.52839	2.6
76.03342	2.3
81.07040	2.8
111.79160	2.6
131.08578	2.5
149.90935	3.0
152.18111	3.0
176.99854	2.5
182.13336	2.7
365.75238	2.9
381.13019	100.0
381.22479	14.5
382.13470	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	381.1304
Annotation	Robustic acid
Peak:m/z	Relative Intensity
59.60444	0.9
69.56318	2.4
76.76589	0.9
81.07035	1.1
81.38195	0.8
85.75617	1.0
93.07049	1.1
95.08605	1.3
102.66030	1.0
105.07021	1.0
109.10123	1.4
119.08571	0.9
121.06539	1.3
133.10030	0.8
162.31712	0.9
252.07822	1.0
265.38708	0.9
363.11990	2.1
381.13016	100.0
381.21671	2.5
381.26056	3.8
382.13309	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	381.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23804	8.5
55.36179	9.8
56.96564	31.9
69.91316	30.2
79.05482	16.1
83.04987	17.6
85.06634	7.9
93.07050	11.7
95.08586	11.7
98.22771	10.8
102.04259	8.8
128.98590	12.2
142.79909	10.8
201.37419	9.4
229.07390	16.0
283.12238	22.7
381.14499	14.1
381.19025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60406	9.0
52.01966	11.1
55.05505	74.3
57.07076	14.8
67.05494	54.2
67.59633	9.6
67.71196	10.1
69.03413	24.2
69.07070	21.8
71.04988	19.8
71.08611	37.8
71.44916	11.2
79.05484	22.0
81.07045	29.4
83.04951	10.3
83.08609	60.4
89.06017	41.9
91.05462	42.1
93.07030	39.6
95.04949	86.8
95.08595	59.6
97.06529	59.5
99.08079	23.0
102.25042	9.7
105.07021	44.6
105.86456	9.9
107.08596	66.8
109.06519	28.2
109.10155	13.8
113.09648	34.7
117.07023	21.6
119.08567	42.7
121.10152	14.3
125.09615	18.0
129.06966	19.4
131.08536	29.1
133.08603	16.4
133.10153	12.9
135.11620	11.4
139.11162	26.0
142.07776	21.3
143.08559	43.2
145.10071	29.1
147.07970	12.8
149.09601	10.4
155.08588	15.5
155.10670	12.7
156.09323	21.3
157.10141	48.1
159.08014	15.7
159.11710	27.7
161.09531	13.6
162.27451	11.1
165.06970	16.3
169.10121	20.9
171.11667	16.8
172.08754	12.0
173.09615	24.8
179.08493	12.9
181.12271	13.2
185.13283	12.5
193.10049	15.9
195.11667	33.8
195.13657	11.4
209.13254	25.5
211.14636	12.3
213.12770	39.4
237.12634	12.1
279.17313	12.8
298.19336	27.6
302.30438	18.5
307.22620	21.8
311.03537	11.8
365.28970	12.1
381.11514	12.3
381.24100	100.0
382.25653	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	381.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54895	9.6
55.05510	20.6
55.22955	11.1
65.83929	10.2
67.05504	44.0
67.09010	9.7
69.03416	12.3
70.55434	15.5
70.55772	11.0
71.04989	19.7
81.07040	48.2
83.08610	34.4
84.22305	10.0
85.02885	14.7
85.06532	14.7
91.31014	10.4
92.46352	10.5
95.08592	83.2
98.23445	10.8
105.07050	21.4
107.08642	12.4
109.10126	100.0
120.08126	16.6
137.05956	28.1
152.05682	12.7
174.09920	13.1
183.17387	54.7
190.04143	11.9
201.12675	11.8
201.18468	33.3
202.00955	11.4
250.06648	10.1
262.50961	12.1
292.08273	12.8
327.68286	12.3
381.10645	16.9
395.49097	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	381.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	18.7
58.13284	11.4
67.05486	32.7
69.50381	26.9
69.50765	24.2
79.05489	13.7
81.07047	48.0
83.08608	31.1
85.02913	14.7
86.09680	13.2
93.07068	12.9
95.08609	61.5
105.07005	12.0
107.04987	15.5
109.10144	56.3
134.06052	10.2
135.39383	11.0
147.06291	14.2
153.77902	11.8
176.07014	26.8
177.49858	12.1
178.05019	12.4
183.17410	35.4
184.07629	14.3
189.09157	12.6
201.18474	28.2
218.07881	11.7
237.82716	11.9
246.03871	23.2
247.04213	65.2
381.15298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.1
57.03428	2.9
57.07072	5.9
59.04943	2.0
59.54086	2.0
62.00690	2.6
65.03923	4.9
67.05494	95.9
68.05823	2.3
68.73390	1.9
69.07050	12.0
69.17166	4.5
69.17583	9.6
71.04973	2.1
71.08624	3.1
73.93610	2.0
79.05480	37.0
81.07046	100.0
83.08613	12.3
84.50672	2.2
85.06541	5.1
91.05467	26.9
93.07030	51.3
94.06548	7.8
95.04951	6.4
95.08591	87.3
97.06507	4.8
97.10157	3.3
105.06995	20.4
105.69215	2.3
107.08575	38.5
109.06540	4.1
109.10144	43.4
111.08044	3.7
117.06978	3.3
119.08577	19.8
121.10130	32.0
123.11691	18.1
131.08565	15.1
132.50668	2.5
133.10136	14.7
135.11691	23.8
137.13219	8.6
145.10114	12.9
147.11676	11.3
149.13257	14.0
153.13953	2.3
159.11674	10.7
161.13264	5.3
163.14757	7.3
173.13248	13.8
175.14787	3.8
182.60387	2.5
187.14803	5.9
189.16409	4.6
189.61594	2.2
201.16234	3.1
205.15895	2.7
213.10092	4.3
233.18961	2.3
235.16959	2.7
261.25635	4.1
271.24005	13.1
289.25208	85.3
290.25525	7.0
339.24200	5.2
363.28769	6.3
381.24387	3.9
381.29910	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
57.44318	0.2
59.26999	0.2
65.03590	0.3
65.03934	5.1
67.05497	0.3
67.25539	0.2
67.90668	0.2
69.03410	0.3
69.07117	0.2
74.67970	0.2
81.07031	0.3
83.08611	0.3
85.02872	0.4
91.05477	0.6
93.03371	1.4
93.07043	0.3
100.11232	0.7
111.04427	1.5
113.98745	0.2
119.04925	0.5
121.02852	100.0
122.03182	2.5
134.32144	0.2
136.07559	2.5
148.65398	0.2
161.05936	0.2
165.05444	0.2
174.29050	0.2
175.07477	0.2
176.07716	0.2
183.32896	0.2
201.09154	0.2
202.09404	0.3
210.14824	0.4
216.03217	2.4
254.06133	0.2
262.03677	1.3
310.75934	0.3
320.18607	0.4
336.05386	0.7
351.16672	0.2
382.05734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	5.4
61.02912	1.1
69.03419	1.3
69.85067	2.3
70.06592	0.9
71.05019	0.6
81.03396	0.7
85.02883	1.8
97.02876	1.4
98.97566	51.7
113.98534	0.7
116.98605	30.2
127.03908	0.9
128.98619	0.8
134.99637	15.0
145.04936	0.8
153.00687	1.1
174.97675	1.8
177.00850	1.0
178.01071	0.9
208.01372	4.5
216.98717	1.5
219.01939	1.5
221.38638	0.8
226.02383	4.1
234.99709	2.7
240.98758	3.3
250.02466	7.5
256.97073	0.7
258.99738	38.2
260.00174	2.2
260.99908	1.1
261.03244	1.1
262.03287	0.8
268.03540	4.4
277.00784	49.9
278.01007	1.9
279.00848	1.0
280.23248	0.7
280.97372	0.9
282.99908	2.7
283.97107	0.7
283.99908	4.2
284.99808	2.4
298.97723	2.7
301.01071	3.1
302.01181	6.3
303.00824	2.7
316.98758	4.7
317.98965	1.3
340.02487	0.9
340.98798	2.4
358.03668	0.8
358.99896	2.6
382.06821	100.0
383.07159	6.9
401.01416	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	382.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57769	1.1
76.40772	1.2
93.07034	1.2
95.04967	2.6
105.03404	8.5
110.42654	1.1
117.07069	1.1
130.06502	7.0
133.02829	100.0
134.03177	3.2
137.05965	3.0
147.68242	0.9
158.05997	4.1
165.05452	23.6
185.04716	2.1
186.05470	55.4
187.05838	2.8
187.46083	1.1
242.95944	1.1
270.66718	1.3
273.05438	1.5
290.07886	1.5
318.07449	2.8
321.75357	1.1
350.10114	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	382.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.01892	1.4
57.03428	2.0
57.05867	1.0
60.04528	1.3
61.02903	4.2
67.05502	1.4
69.03424	7.1
69.79562	4.5
70.06599	1.5
71.04977	3.2
79.05476	1.8
81.03407	3.3
81.07038	5.9
85.02891	13.8
87.04463	1.7
88.97462	1.1
91.05472	1.8
93.07045	3.2
95.04984	1.6
95.08623	3.0
97.02893	5.0
98.22737	2.1
105.07062	1.6
107.04964	1.1
107.08635	1.4
109.02821	1.6
121.02859	3.4
121.10117	17.8
123.11687	5.6
124.11859	1.1
124.94983	1.4
125.02299	1.8
125.05974	3.3
127.03914	4.1
133.06462	1.6
136.05165	2.9
139.11182	3.5
145.04884	2.5
148.92175	1.1
149.09578	1.4
151.03894	2.5
157.06433	1.4
160.05220	1.5
161.05972	5.7
163.03889	2.5
164.04654	22.5
165.05394	2.0
167.10645	17.2
175.07503	5.5
185.11638	5.7
202.05750	1.4
203.06993	40.3
219.06483	2.7
220.06886	8.8
221.08047	100.0
237.00601	1.6
238.00949	2.3
256.02139	1.4
273.42853	1.2
382.04877	1.8
382.06500	2.1
382.11765	35.9
383.12991	27.2
397.78995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
54.44174	2.5
55.01852	7.3
57.03437	6.4
61.02922	4.0
69.03426	33.2
69.28353	2.5
71.04977	3.2
72.06265	2.4
73.02902	4.7
78.47418	2.6
81.03414	24.1
85.02895	100.0
85.03407	6.2
87.00819	41.9
91.05482	4.4
97.02892	27.6
99.04430	10.3
105.01854	77.8
109.02868	27.2
110.07193	2.7
127.03900	64.0
129.01901	3.5
145.04951	36.9
146.67348	2.9
147.02881	3.3
151.59319	2.8
159.02843	10.0
175.07631	2.5
187.83516	2.9
208.37558	3.3
218.78281	2.9
231.04967	17.3
231.07941	5.3
248.08282	5.3
249.06020	7.8
291.10007	4.2
351.12280	8.4
383.16815	49.6
394.68530	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	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	3.0
55.05504	2.9
59.04987	2.3
65.03925	2.8
67.05502	3.1
69.03423	5.0
69.07069	4.9
71.04975	12.3
73.02930	2.2
75.28127	2.4
79.05473	4.7
81.07041	13.9
83.04974	2.7
85.02912	10.3
87.04448	5.5
91.05503	3.1
93.07049	9.4
95.08614	6.2
97.02898	2.9
97.06522	2.7
97.38140	3.2
99.04443	2.2
101.06093	2.2
105.07032	4.1
107.08574	7.9
111.04438	8.4
115.03975	3.1
121.02859	30.4
121.10131	46.8
123.11707	7.2
125.05978	6.2
125.09610	6.0
139.11156	26.7
147.04364	2.8
149.09612	8.5
157.12219	11.3
157.60484	2.5
160.03929	5.3
163.03915	2.6
167.10664	28.4
171.13753	3.2
181.05089	2.8
185.10037	4.9
185.11703	100.0
186.12054	4.7
203.07079	6.6
203.12767	9.1
219.06529	9.5
220.03264	3.7
221.08110	10.7
227.13112	2.3
261.07562	4.8
276.26852	2.4
351.59229	2.7
363.40985	2.2
382.15564	23.0
383.16965	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	3.4
65.03922	2.4
67.05486	3.5
69.03421	6.3
69.07044	4.9
70.06545	2.2
71.04972	15.8
75.86543	2.0
79.05494	9.1
81.07046	12.7
83.04946	4.5
85.02886	7.5
87.04448	4.2
88.65511	2.2
93.07029	10.0
95.08601	6.3
97.02853	3.0
97.06492	2.9
99.04393	4.3
104.13496	2.0
105.07008	4.1
107.08591	6.8
111.04398	8.2
115.03941	2.7
119.04922	2.7
121.02837	32.1
121.10130	46.5
123.11697	7.3
125.05972	5.6
125.09602	4.7
137.05934	3.4
139.11160	27.4
141.07324	2.1
147.04440	4.9
148.74818	2.1
149.09598	8.5
157.12201	8.2
157.91550	2.5
160.03905	6.0
164.04756	2.4
167.10648	25.4
185.11705	100.0
186.12021	4.4
203.06979	8.8
203.12735	5.9
219.06482	13.9
220.03308	2.9
220.06792	3.5
221.07990	15.6
261.07541	2.5
285.11780	2.3
382.11951	2.5
382.15485	21.7
383.12323	2.4
383.16815	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.0
57.07081	1.3
63.21637	1.0
65.03926	3.1
67.05482	3.9
69.03413	5.5
69.07063	9.0
69.17432	5.0
71.04974	1.3
71.08620	4.0
73.22461	1.2
79.05485	4.5
81.07046	4.5
83.04979	6.3
85.02889	4.9
87.04452	5.5
91.05470	1.5
92.16746	1.1
93.07037	10.6
95.08600	4.2
97.06519	4.0
97.10181	6.0
99.08065	2.2
105.07031	1.8
107.08585	1.8
111.04435	1.5
115.03896	1.8
119.08552	1.2
121.02856	45.0
121.10139	7.5
127.03899	1.8
135.11662	1.9
136.07471	1.1
139.11177	21.4
149.58481	1.0
157.12234	42.9
158.12613	1.7
163.11128	1.8
165.12901	1.3
185.11716	100.0
186.12059	3.7
216.03262	1.3
248.08334	1.4
261.15005	1.4
320.18530	1.5
330.54343	1.3
351.12091	2.7
383.14639	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	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53698	3.6
56.96605	3.3
67.05486	9.4
69.03408	6.0
69.81125	15.3
70.06569	12.7
79.05482	13.3
81.07049	8.4
85.02893	6.0
86.09692	7.3
94.29301	4.0
97.02885	7.1
98.22736	4.7
106.02895	16.4
106.46089	3.9
107.08581	24.6
109.10139	4.7
110.07141	21.3
111.04424	5.0
121.10111	3.7
124.03951	23.8
136.07588	4.2
153.09102	20.9
160.07600	4.9
167.10678	4.9
171.10146	44.8
173.12848	7.7
185.11642	7.9
203.12775	5.2
223.15572	4.2
250.07104	6.9
251.14987	7.0
268.08157	7.5
269.16040	6.4
350.18311	4.0
382.11761	80.4
382.16663	5.6
383.11853	6.6
383.16705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04850	1.3
55.05497	5.4
55.64906	1.2
65.03899	1.2
67.05492	5.7
68.05019	3.7
69.07059	8.5
70.06580	16.3
76.11974	1.1
78.80138	1.1
79.05485	6.9
79.05896	1.0
80.05019	1.6
81.07044	8.8
83.08624	2.3
91.05457	10.9
93.07022	11.1
94.06549	2.5
95.04938	2.6
95.08594	10.3
96.08112	2.9
97.06494	1.5
98.23413	2.9
100.07593	6.9
105.07007	22.5
106.67667	1.1
107.08587	8.5
109.10143	4.6
114.05535	4.4
116.07056	8.5
117.07022	1.9
119.08560	16.7
120.08109	4.2
121.10101	7.7
122.09634	2.7
123.08090	1.3
123.11691	2.1
128.07068	7.9
129.06996	2.1
130.12204	1.2
131.08549	6.1
133.09087	1.5
133.10101	11.3
134.09628	2.0
135.11713	2.4
141.19014	1.1
142.07744	1.8
143.08551	5.4
144.09348	1.9
145.10112	9.5
146.09564	1.5
147.11658	3.2
148.11172	8.1
154.08618	1.6
155.08490	3.1
156.09326	1.9
157.10141	4.0
159.11649	5.5
160.11140	1.7
161.13380	1.0
164.06987	1.2
164.68921	1.2
168.10193	20.7
169.10175	2.9
171.11674	3.8
173.13251	2.4
175.14830	4.4
177.16338	3.0
178.08614	6.0
179.02336	1.1
181.09857	1.2
182.10925	1.2
185.13152	5.6
192.10095	3.4
194.11734	16.1
197.13284	5.1
206.11661	2.1
211.14870	3.0
232.13156	1.6
237.16377	2.0
241.19420	1.3
258.15170	1.1
267.20938	2.7
288.19708	1.4
290.21225	5.3
352.23148	1.4
382.27368	100.0
383.27884	8.6
386.87170	1.5
391.21310	1.2
403.24847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	2.8
57.07072	22.8
59.23487	2.3
69.07061	5.8
69.45670	5.6
69.46060	5.6
71.08623	42.2
73.06534	4.6
82.27213	2.4
83.30259	3.0
85.10173	20.5
89.06019	100.0
95.04955	2.5
105.06996	3.4
119.08554	3.4
125.01006	2.4
127.14868	3.9
133.08592	37.1
151.09683	3.8
164.76465	2.4
177.11226	8.1
215.20024	8.2
239.14908	14.8
302.30392	4.1
365.28827	15.8
382.27002	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	382.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	12.8
69.89352	1.3
69.89694	0.6
71.95257	0.6
97.02888	0.5
98.97567	100.0
99.97902	1.1
102.96904	0.6
109.77327	0.5
116.98605	60.0
117.98991	0.7
119.01921	0.8
134.99640	21.7
140.00143	0.7
153.00700	1.9
158.01219	0.7
174.97650	2.6
177.00909	2.0
178.01054	0.6
184.44415	0.5
192.98668	1.6
199.59393	0.5
203.84622	0.5
216.98682	2.0
219.01997	1.7
220.02092	0.6
221.01941	0.7
234.99672	2.7
238.95535	1.0
240.98621	4.4
242.96385	0.5
243.01990	0.5
256.96567	8.5
257.96680	1.1
258.99728	62.8
259.99963	4.5
260.99780	2.8
261.03027	6.6
262.03195	1.8
263.02884	1.9
272.94446	0.8
274.94714	0.8
274.97620	3.3
275.98062	0.5
277.00769	79.0
278.00931	6.7
278.97113	0.4
278.97781	0.4
279.00891	2.8
279.98154	3.3
280.97995	0.6
282.01129	0.7
282.99884	1.1
284.00146	0.8
284.99728	5.4
290.95264	0.6
292.91400	1.0
296.95444	0.5
298.97644	0.6
300.02222	1.2
300.97607	0.6
301.00983	1.5
302.97397	0.6
303.00809	7.3
303.04132	1.0
304.01001	1.1
304.04333	0.5
317.98843	0.9
318.98578	1.1
320.98328	1.0
326.02655	0.5
328.90103	0.6
336.92462	1.5
338.81015	0.6
340.96286	0.5
346.94614	0.6
354.93500	0.6
356.96613	0.6
358.93112	1.0
359.93707	1.2
379.95181	0.8
380.94928	0.8
382.96667	4.5
383.96487	0.5
400.93878	1.0
400.97433	9.2
401.97717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36069	0.4
53.53778	0.4
56.96559	11.2
57.97409	0.4
69.03444	0.7
69.70541	0.4
70.06573	0.7
71.95242	0.7
74.66367	0.4
77.57353	0.4
77.90968	0.5
81.03404	0.6
97.02883	1.4
98.97571	91.2
99.96213	0.5
109.02872	0.6
110.07137	0.9
116.98609	71.9
119.01895	2.0
121.02835	1.4
132.31999	0.5
134.99641	37.0
140.00151	0.9
145.03445	1.1
146.99629	0.5
153.00710	4.4
153.01929	0.6
153.54707	0.5
161.02942	1.5
173.01208	0.6
173.02930	0.7
174.97603	1.3
175.04562	0.5
177.00945	3.2
177.02269	0.6
181.97289	0.5
183.68472	0.4
189.00810	0.5
191.02260	0.9
192.98697	1.0
197.02957	1.8
198.97617	1.2
201.00911	1.1
204.10333	0.6
215.02344	0.6
216.98642	2.5
218.98834	0.5
219.01962	4.5
221.03085	0.8
221.12863	0.7
231.02013	1.6
232.96509	0.7
233.03384	0.7
234.99789	2.0
236.99689	1.6
239.03970	0.7
240.98602	6.0
243.02094	3.9
244.02075	0.7
245.05074	1.7
253.52489	0.7
256.97495	0.8
257.03452	3.3
258.99741	75.8
259.99899	4.9
260.99841	6.2
261.03030	3.7
262.53070	1.1
273.01379	0.7
274.97662	2.8
275.04520	2.9
277.00784	100.0
278.00940	7.8
279.00821	5.7
280.97372	1.0
281.03732	0.7
282.01392	0.9
282.99802	3.2
283.53091	0.6
283.99997	1.3
284.99750	9.9
285.99973	1.0
295.01785	1.2
295.04929	0.5
298.97656	4.3
299.01236	0.6
299.04410	2.7
299.97516	0.8
300.02298	2.2
301.01022	4.1
302.01147	2.1
302.54242	0.6
303.00827	15.9
304.00919	1.3
311.04648	3.2
312.04736	0.9
313.06152	1.6
316.98819	4.4
317.02023	0.8
317.05750	1.0
317.98755	0.9
323.06064	2.6
340.98691	3.0
341.02448	2.6
341.06619	0.9
341.98828	0.8
358.99765	2.1
359.03180	0.8
359.99841	0.8
382.56442	0.7
382.99545	1.0
383.02731	4.5
383.07806	9.1
383.13181	1.2
383.18076	1.9
383.55911	0.5
384.07257	0.8
401.00308	4.9
401.04855	1.9
402.00876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74251	1.3
56.96571	2.8
70.00150	1.9
70.00483	3.2
70.06570	2.5
84.15325	1.6
86.09685	1.6
129.23508	1.5
152.48495	1.4
159.13194	1.3
185.04210	12.9
221.04234	6.2
262.37134	1.4
276.05930	1.4
383.07562	29.3
383.13080	100.0
384.07639	1.6
384.13449	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	1.5
58.69521	0.8
62.29489	0.8
64.52145	0.8
65.41750	0.8
70.06590	1.9
70.98114	1.4
82.24950	0.8
91.05505	0.8
105.44937	0.8
107.04945	0.9
123.54630	0.8
161.63300	0.9
185.04178	4.2
221.04156	3.0
221.07961	1.7
331.75772	1.0
383.07474	22.1
383.13046	100.0
384.08377	1.3
384.13434	5.4
396.41000	0.9
397.88751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0945
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
53.39353	0.6
60.05647	0.6
71.23756	1.0
90.05535	1.3
93.76383	0.6
98.97570	1.1
185.04204	16.9
220.11797	1.4
221.04205	12.3
221.12265	1.2
257.03250	1.1
323.06558	0.7
326.60754	0.6
383.09439	100.0
384.09833	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1249
Annotation	Linichlorin A
Peak:m/z	Relative Intensity
56.15844	4.5
61.45428	4.5
69.63615	21.6
98.23460	11.0
130.28685	6.7
181.61497	6.3
199.28214	5.5
212.06841	5.6
383.12439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35529	11.4
60.13520	12.3
62.68601	12.0
64.21269	14.1
67.05495	100.0
69.24220	77.2
78.11057	13.4
81.07045	33.2
93.07040	17.7
95.08584	15.6
105.07030	12.8
109.10137	73.5
122.32485	14.6
157.49597	12.9
161.13179	12.2
257.04376	38.6
351.12057	22.4
383.14496	51.3
383.24387	38.2
384.30899	63.9
393.99957	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	383.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58969	0.5
68.73750	0.5
69.26728	1.5
69.27137	1.4
72.91638	0.5
89.95315	0.5
96.07047	0.5
98.22610	0.9
105.07075	0.6
110.29122	0.5
137.05988	0.7
149.02364	0.6
155.61366	0.5
185.04176	9.8
201.86455	0.5
216.48399	0.6
221.07819	100.0
222.08144	3.1
299.05347	0.6
311.19489	0.5
322.70016	0.6
383.12921	41.7
383.16425	2.9
384.13412	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.5
55.05490	1.1
56.96548	0.7
61.02910	0.8
65.29467	0.5
69.03425	1.4
69.50826	0.9
69.51238	1.5
70.06583	1.4
71.05002	0.5
76.42038	0.5
78.70409	0.4
81.03407	0.9
81.07014	0.7
83.77885	0.5
85.02879	2.7
97.02888	1.1
98.97536	1.0
110.07142	0.6
114.10860	0.5
117.03354	1.7
127.03888	0.7
145.02809	3.6
147.07968	0.5
149.05965	0.7
161.05960	1.4
164.04651	3.0
169.12167	0.7
174.06711	0.5
175.07555	1.8
177.05441	4.6
183.00752	0.5
185.04158	1.4
185.05751	0.7
203.06998	11.6
204.07413	1.1
219.06577	0.7
221.01233	0.5
221.08044	22.4
222.08450	0.7
239.02177	1.1
251.09100	3.7
257.03284	0.8
310.71243	0.5
323.05988	1.7
349.11356	0.6
383.13062	100.0
384.13428	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	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92968	0.3
67.53372	0.3
70.06607	0.9
75.92475	0.4
84.08083	0.3
85.02895	0.6
94.16164	0.3
120.08078	0.5
152.06960	0.4
203.07088	0.5
221.07906	2.0
269.40961	0.3
295.11539	0.4
383.13092	100.0
384.13376	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	383.131
Annotation	Inumakilactone C
Peak:m/z	Relative Intensity
57.92968	0.3
67.53372	0.3
70.06607	0.9
75.92475	0.4
84.08083	0.3
85.02895	0.6
94.16164	0.3
120.08078	0.5
152.06960	0.4
203.07088	0.5
221.07906	2.0
269.40961	0.3
295.11539	0.4
383.13092	100.0
384.13376	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	383.1333
Annotation	Uncinoside A
Peak:m/z	Relative Intensity
55.01891	1.0
55.05542	1.9
57.03469	1.4
61.02959	1.9
61.80024	0.4
66.96876	0.4
69.03422	5.0
69.11304	0.8
69.11706	2.1
70.06615	0.8
71.05013	0.7
73.02942	0.9
75.78889	0.4
81.03411	2.4
83.01359	0.4
83.76591	0.4
85.02894	8.6
87.04499	0.9
91.03951	0.8
91.05496	1.0
97.02885	4.0
97.45662	0.4
98.42863	0.4
99.04461	0.9
105.07067	1.9
107.04981	0.8
109.02906	1.1
117.44650	0.4
119.08651	0.5
121.02892	0.8
127.03896	2.6
129.07025	1.2
133.06529	0.9
135.04475	1.2
136.05190	4.2
145.04988	1.6
147.04376	1.0
147.08052	2.1
151.03903	0.8
157.06514	1.3
160.05202	2.2
161.05954	4.6
163.03912	3.5
164.04659	25.0
165.05502	2.1
175.07532	7.1
177.05396	0.5
179.07149	0.5
185.05954	1.1
203.07007	38.8
204.07414	2.2
221.08054	100.0
222.01936	0.8
222.08382	4.3
269.65854	0.5
365.12094	0.9
383.12958	27.2
383.16595	3.4
384.13266	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	383.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21875	0.3
58.36171	0.3
59.18597	0.3
61.51282	0.3
62.53686	0.3
62.71559	0.3
63.41639	0.3
69.17496	0.8
69.17892	1.6
81.07031	0.3
98.22717	0.9
217.89993	0.4
241.04709	3.2
283.05820	3.8
294.08472	0.3
328.16339	0.3
347.12527	1.3
365.13559	17.1
366.14072	1.0
383.14612	100.0
384.14954	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	383.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98930	0.3
69.99254	0.5
76.69253	0.3
81.34704	0.3
90.51505	0.3
98.23362	0.4
115.81281	0.3
149.55461	0.3
153.39999	0.3
179.18884	0.3
216.84691	0.4
241.04639	0.7
283.05676	0.5
350.43576	0.4
365.13544	4.4
366.13953	0.4
383.14575	100.0
384.14920	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	383.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03812	0.3
62.35583	0.4
65.94489	0.4
69.99712	1.2
120.45641	0.4
130.18584	0.4
162.91110	0.4
284.99011	0.4
339.15854	0.5
365.13437	1.1
383.14609	100.0
384.14990	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	383.146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28675	1.5
69.29073	0.8
75.43742	0.4
93.86963	0.4
133.27344	0.4
138.81120	0.4
165.08972	0.4
184.53377	0.4
241.04697	3.4
283.05771	3.1
347.12512	0.9
365.13531	18.4
366.13748	1.2
383.14603	100.0
384.14963	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	383.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.5
59.31242	0.9
69.03411	1.4
69.30077	3.9
79.05492	1.4
81.07028	2.4
83.04945	1.3
83.08580	1.4
91.05471	1.7
93.07023	1.3
95.08605	1.8
100.11219	1.6
105.07029	2.1
107.08578	2.3
109.02885	1.0
117.06960	1.1
119.08585	1.6
121.10104	1.2
123.04410	1.0
131.04845	1.5
133.10141	1.3
137.05807	1.2
139.03618	2.1
149.02336	2.3
210.14806	1.0
218.08063	2.9
246.07693	1.0
268.05704	3.4
353.13525	3.4
365.13458	2.4
383.14584	100.0
384.10434	7.5
384.14993	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	383.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94096	1.0
55.40294	1.2
62.53930	1.0
70.78925	1.5
79.05469	1.3
85.26674	1.1
91.05437	2.1
97.02896	1.2
103.61227	1.2
107.04923	1.9
124.80621	1.3
128.06172	1.6
133.02701	1.5
137.05949	1.2
139.93735	1.2
141.06946	2.4
153.05447	1.1
157.06430	1.6
159.07841	1.2
167.07037	1.4
169.06419	2.3
170.07248	1.6
177.05428	2.0
181.04926	2.4
187.07555	1.9
188.42981	1.1
190.07686	2.0
191.07010	2.1
191.08546	3.4
201.09015	2.8
202.07785	2.7
203.08549	2.5
203.10364	2.0
205.06419	1.5
205.10152	1.6
215.08499	3.1
217.08325	2.0
218.07233	3.8
219.08008	7.8
220.08850	6.1
222.06805	1.4
229.08553	7.3
230.07071	3.0
231.07935	12.3
231.10175	2.9
232.08658	3.7
233.05765	2.5
233.09515	5.8
234.06671	1.6
234.10181	2.1
235.07466	2.1
235.11073	2.0
236.04524	2.3
237.09067	1.8
244.08800	1.4
245.09558	3.1
246.06714	1.4
247.07521	14.5
248.08286	14.9
249.08919	3.7
250.06151	2.5
257.10437	1.1
258.06766	1.8
259.07565	6.0
260.08228	3.1
261.05301	2.4
261.09052	6.0
262.06168	2.3
262.09787	6.8
263.07669	1.9
263.10608	15.1
263.58951	1.3
264.07697	2.0
265.08575	5.5
269.08023	3.7
273.08893	3.5
274.06079	1.6
275.07037	8.4
276.07724	11.8
277.04999	1.4
277.08313	5.7
278.05698	1.5
279.06604	2.0
279.10092	3.8
280.10941	1.1
287.06924	2.1
289.08447	3.3
290.09293	8.3
291.06784	2.0
291.10059	20.6
292.07166	4.5
292.10608	3.2
293.08115	13.1
293.11234	2.3
294.08673	2.8
304.07181	2.4
305.07858	5.8
305.11664	3.5
307.06149	1.8
307.09464	9.1
308.10291	8.8
309.11044	1.9
315.08551	12.7
316.09097	1.6
318.08865	1.6
319.09674	12.1
320.10266	3.4
321.07343	6.6
321.11014	2.6
322.08105	4.4
322.11743	2.6
323.05261	1.8
323.12659	17.6
325.10596	1.4
330.10928	10.9
335.08987	3.8
336.09851	6.0
337.10638	13.1
338.07724	2.8
350.11166	3.1
351.12201	35.3
352.12894	11.5
353.10034	13.3
354.10403	2.6
368.12500	12.9
369.13150	1.5
383.14709	100.0
384.15103	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.6
69.38250	2.3
73.89150	0.4
79.98621	0.4
85.02895	0.5
110.07202	0.8
137.05946	0.5
145.08621	0.5
161.05963	0.6
169.66644	0.5
170.98000	0.5
175.02438	0.8
188.03235	0.5
199.48563	0.5
221.07945	0.8
223.05930	1.0
267.41812	0.4
283.06067	0.6
383.06122	3.9
383.16727	100.0
384.05429	0.6
384.17029	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	383.2403
Annotation	Lys Val His
Peak:m/z	Relative Intensity
60.22327	0.3
67.05488	0.4
69.27245	0.2
70.10542	0.3
70.51739	0.5
85.99713	0.3
91.05484	0.3
93.07037	0.3
95.08577	0.3
109.10196	0.3
115.44460	0.3
141.29869	0.3
156.31824	0.3
203.39746	0.3
383.23990	100.0
384.24387	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	383.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17390	0.4
66.21129	0.3
67.05498	1.0
70.63541	0.6
79.05507	0.4
80.80522	0.4
81.07020	0.3
83.04922	0.4
109.10152	0.7
139.41797	0.4
151.47093	0.3
156.98705	0.3
163.56789	0.3
205.04897	0.4
273.92126	0.4
329.93982	0.4
383.24008	100.0
384.24338	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.3
55.05505	4.7
57.03445	2.1
57.07069	1.3
59.28675	0.9
67.05495	11.6
69.07053	5.7
69.39025	5.3
79.05491	5.1
81.07047	28.8
81.07504	1.9
83.04983	2.6
83.08614	2.5
85.06551	1.2
91.05478	3.3
91.59677	1.1
93.07044	5.4
95.08605	6.1
95.31360	1.0
105.07025	4.2
107.08575	5.2
109.06514	11.4
109.10136	6.3
111.04424	14.0
111.08112	1.5
119.08562	5.8
121.10148	4.0
123.08086	3.4
123.11710	1.3
125.05971	7.7
131.08543	1.9
133.10138	4.5
135.07994	4.7
135.11668	4.9
137.05959	100.0
137.13222	1.6
138.06332	3.5
143.08521	0.9
147.08040	1.3
147.11670	7.7
149.09630	3.8
151.07571	2.8
154.00882	0.9
157.10107	2.1
161.09610	6.7
161.13286	2.4
163.11186	3.7
165.09137	2.8
165.12778	1.0
171.11755	1.8
173.11737	1.5
175.11179	4.6
175.14807	1.8
179.10640	2.5
184.13098	1.0
189.12683	1.3
193.12306	1.8
203.17966	6.1
207.13748	1.2
213.16331	3.1
221.19099	1.7
231.17461	8.1
241.15956	2.4
249.18454	11.2
277.17938	69.4
278.18326	4.8
280.75568	1.1
295.18985	16.2
351.21640	5.1
383.24277	8.2
384.30783	6.1
389.81604	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.01870	14.3
55.05510	24.4
57.03439	16.4
61.02924	6.8
66.69270	4.8
67.05495	37.7
69.03419	42.7
69.07064	19.6
71.00877	5.9
71.01343	6.7
71.04992	40.5
73.02914	10.1
79.05486	40.9
81.03427	32.4
81.07050	82.5
83.04996	21.6
83.08601	8.1
85.02900	51.4
85.06550	5.4
89.14209	5.4
91.05487	22.7
93.07034	67.6
95.04951	27.5
95.08601	56.1
97.02897	24.8
97.06541	12.1
97.10157	5.9
103.03986	6.5
105.07009	65.9
107.08588	71.4
109.02888	7.7
109.06513	13.3
109.10157	43.9
111.04440	24.4
111.08056	7.7
115.03935	6.5
117.07031	13.7
119.08582	71.0
121.06489	15.7
121.10157	41.3
123.08077	13.6
123.11714	21.2
125.09617	15.4
127.03896	11.7
127.11169	14.6
129.05464	6.0
129.07014	12.4
131.08597	16.9
133.10110	44.5
135.08092	10.9
135.11662	50.3
137.06032	7.4
137.09622	4.8
137.13252	10.3
139.07600	7.0
142.07841	6.3
143.08595	24.0
145.10114	29.6
147.08089	11.7
147.11690	45.8
149.13254	18.2
151.07515	7.5
151.11163	13.0
153.12715	10.3
155.08604	6.3
157.10117	21.6
159.08076	5.8
159.11697	55.1
161.09573	11.3
161.13237	22.7
169.10205	8.9
171.07959	5.2
171.11691	18.9
173.13264	20.6
175.11179	11.6
175.14838	6.2
177.09233	6.0
183.11777	10.0
187.14838	9.9
189.12749	9.4
189.16406	25.8
193.15901	7.3
195.11621	9.4
195.17462	6.3
201.12697	6.6
201.16403	17.5
202.06116	5.3
203.17982	18.8
213.12775	7.6
213.16393	12.7
215.17947	11.8
219.17392	8.6
221.18896	7.0
231.17444	7.5
233.18886	9.5
245.19023	12.2
261.14764	6.0
311.19879	8.0
329.21048	8.5
347.22070	15.5
365.23148	16.6
383.14551	100.0
383.18924	8.3
383.23831	44.8
384.15063	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.9
55.01866	16.9
55.05509	28.4
57.03424	23.4
61.02918	12.1
67.05492	48.5
67.18203	8.0
69.03422	42.3
69.07067	26.7
70.06569	7.6
71.04987	41.6
73.02921	13.6
79.05473	48.9
80.68093	8.9
81.03410	26.8
81.07049	98.4
83.04989	12.4
83.08613	15.1
85.02888	42.7
87.04452	10.9
91.05492	48.1
93.07049	66.3
95.04971	22.5
95.08608	83.9
97.02866	19.3
97.06538	19.3
99.04467	11.6
99.08076	11.0
100.11259	13.8
103.03859	7.5
105.03401	22.3
105.07027	90.9
106.10334	7.2
107.04961	13.7
107.08580	74.0
109.06509	26.9
109.10143	61.5
111.04436	14.8
117.06991	19.2
119.04869	7.7
119.08553	100.0
121.06531	23.7
121.10146	69.2
121.14703	8.2
123.04393	13.9
123.08049	19.4
123.11697	36.0
125.09614	12.3
127.03925	11.5
127.11168	13.6
129.06992	14.7
131.08566	30.8
133.06389	9.8
133.10086	53.4
135.08032	16.6
135.11679	50.0
137.06003	10.9
137.09596	12.4
141.06990	9.0
143.08554	17.6
145.10127	36.3
147.08020	10.8
147.11649	46.3
151.07494	9.7
153.12796	8.9
155.08525	11.8
157.10121	39.3
159.08028	10.7
159.11720	55.0
161.13252	23.8
165.09123	12.6
165.12875	11.2
167.08514	9.5
171.11734	23.2
173.13225	22.5
175.14842	10.2
183.11636	11.6
185.09488	9.9
185.13300	14.7
189.12796	15.7
189.16324	9.7
193.15730	11.9
197.13303	9.3
201.12715	14.6
201.16409	13.7
203.14493	8.9
203.18036	20.2
212.44167	9.3
223.14967	9.0
227.17929	11.1
233.18997	21.1
245.19005	18.3
274.71475	7.9
297.10907	9.6
311.20004	9.7
329.21094	17.8
347.21933	11.5
355.15292	8.3
365.23312	19.8
383.14767	16.5
383.19931	10.9
383.24277	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.6
55.01876	5.1
55.05500	14.5
57.07059	16.0
59.04993	6.3
67.05500	35.4
68.78371	5.0
69.03437	8.7
69.07061	13.6
71.04987	6.7
71.43847	6.1
71.64447	4.7
79.05485	41.9
81.07057	33.6
83.04942	8.2
83.08588	7.2
85.06561	5.5
90.08067	5.4
91.05461	50.1
93.07040	100.0
95.04955	30.0
95.08590	47.9
97.06518	14.8
105.07014	80.3
107.04980	5.5
107.08587	51.2
109.06513	27.9
109.10143	24.7
111.08057	21.6
117.07015	9.4
119.08573	62.1
121.06493	16.0
121.10124	45.4
123.08061	37.8
125.09607	5.5
125.84663	5.0
128.06245	12.3
129.06960	8.0
131.08574	31.3
133.06480	10.2
133.10112	44.6
135.08038	25.1
135.11702	6.2
137.09628	15.5
142.07739	26.3
143.08545	32.6
145.10114	45.6
147.08038	30.0
147.11700	12.4
149.09602	28.6
151.07530	52.2
156.09274	7.3
157.10115	46.4
159.08015	8.0
159.11670	18.7
161.09648	28.3
161.13290	7.4
163.11122	9.4
165.09128	48.7
169.10098	10.6
171.11673	9.9
173.09645	15.5
173.13242	8.3
175.11166	21.9
175.14796	10.9
177.09093	10.3
181.10023	8.4
181.12238	5.8
185.13190	24.7
187.11081	7.9
189.12759	13.5
201.07645	5.5
201.12770	8.5
203.14343	35.4
207.13730	23.4
213.12617	6.7
215.14276	6.3
217.12189	6.9
221.15364	85.9
222.34625	4.7
223.14970	5.2
227.14307	7.9
233.15462	8.5
234.15990	15.1
243.13620	6.2
286.19220	10.3
287.19955	6.9
291.23050	6.2
299.19907	10.8
303.19467	14.3
306.38351	5.7
365.20410	5.8
365.24799	17.1
383.18143	13.4
383.25739	94.8
383.30243	5.5
383.36716	8.4
384.26083	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	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.5
57.07063	0.7
59.04971	1.2
65.03915	0.9
67.05493	22.9
69.03383	1.6
69.07056	8.7
69.18144	3.2
71.04980	5.2
79.05472	3.1
81.07051	7.1
83.04965	1.5
84.04489	1.4
85.06536	1.6
86.65816	0.7
91.05453	3.7
93.07030	5.7
95.04964	4.9
95.08590	5.4
104.31589	0.6
105.07008	8.5
107.08600	5.6
109.06510	2.3
109.10137	100.0
110.10471	2.9
111.08080	0.7
115.05420	0.8
117.06997	1.0
119.08558	5.0
119.87234	0.6
121.06524	1.0
121.10153	3.2
123.07993	1.2
127.11174	9.2
128.06236	0.7
129.06946	2.0
130.04970	2.6
130.07727	0.6
131.08568	3.1
133.06438	1.0
133.10107	3.1
135.08035	2.4
137.09578	1.8
141.06952	0.8
142.07741	2.4
143.08510	2.4
144.09293	0.8
145.10103	4.1
147.08009	2.3
147.11639	1.6
149.09590	1.5
151.07510	1.7
155.08548	0.7
156.09306	1.0
157.10098	5.4
159.08067	1.8
159.11618	1.4
161.09634	1.9
163.11079	0.7
165.06993	1.3
165.09077	2.5
169.10057	1.0
171.11667	1.8
173.09558	2.4
173.11746	0.9
175.11191	2.0
180.09273	0.9
183.11627	1.4
185.13271	1.4
187.11087	0.8
194.10799	1.0
195.11687	1.9
197.13326	1.0
203.14214	1.3
209.13255	2.5
213.12711	4.5
221.15338	3.8
227.14307	1.0
273.18405	2.0
291.50034	0.7
327.14172	1.6
365.24637	1.3
383.20303	17.6
383.25681	4.9
383.30380	1.0
384.20709	1.7
384.25824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91839	8.9
57.07063	22.1
57.98877	9.1
59.04993	9.1
62.11418	9.7
67.05497	39.2
69.03445	10.0
69.07043	14.5
77.20972	10.3
79.05482	35.5
81.07040	42.1
83.08578	10.9
85.06541	12.6
91.05473	49.8
93.07034	100.0
95.04973	20.7
95.08596	42.4
97.06509	11.7
105.07021	74.7
107.08588	43.0
109.06520	17.3
109.10141	32.1
111.08062	20.1
115.05549	10.9
119.08561	54.2
121.06470	25.6
121.10133	33.6
123.08050	27.2
130.07741	11.2
131.08533	21.1
133.10146	23.0
135.08043	21.1
137.09601	14.0
142.07817	17.0
143.08557	24.5
145.10117	29.5
147.07997	33.1
147.11691	19.1
149.09610	20.0
151.07516	35.8
155.08607	10.3
156.09288	11.6
157.10094	29.4
159.11662	12.9
161.09613	18.6
165.09093	63.4
175.11183	18.9
177.09085	11.7
195.79463	10.5
203.14316	31.1
207.13803	12.9
221.15361	77.9
303.19760	10.5
383.25681	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.1
55.05499	10.1
57.03391	2.2
57.07059	4.3
59.04994	4.6
67.05499	25.3
69.03418	11.2
69.07072	6.4
69.71167	8.1
71.04997	4.3
79.05473	26.5
80.11890	2.2
81.07055	22.2
82.79151	2.1
83.04968	2.9
83.08595	3.3
85.06519	3.0
91.05468	35.3
93.07032	73.2
94.65337	2.1
95.04944	22.5
95.08594	28.1
97.06517	9.3
100.78294	2.2
105.07019	56.8
107.05003	2.8
107.08577	31.0
109.06518	20.6
109.10117	13.3
111.08108	6.2
113.32589	2.7
115.05418	3.9
117.07005	7.7
119.04840	2.5
119.08568	38.3
121.06498	10.1
121.10133	32.2
123.08057	20.7
123.90921	2.1
128.06204	6.7
129.06987	8.4
130.07784	3.8
131.08559	21.9
133.06525	3.7
133.10114	21.7
135.08002	15.5
135.11702	8.0
137.09601	9.4
141.07019	3.7
142.07768	14.7
143.08521	14.6
145.06490	2.6
145.10115	24.9
146.07170	3.4
147.08011	18.2
147.11713	11.4
148.08917	2.4
149.09596	15.3
151.07526	31.3
155.08551	5.0
156.09300	8.5
157.10100	27.3
159.08032	6.4
159.11659	10.7
161.09608	14.0
161.13177	4.2
163.11192	6.1
165.09109	31.2
169.10149	6.2
170.10925	2.7
171.11612	6.5
173.09613	7.6
173.13213	6.8
175.11130	16.9
175.14857	7.4
177.09097	7.0
183.11674	4.8
185.09605	3.3
185.13258	14.3
187.11238	5.2
187.14757	3.5
189.12735	6.7
197.13388	2.5
199.14822	2.5
201.12703	4.9
203.14299	28.5
207.13734	8.2
209.13347	3.3
209.15332	3.9
213.12753	5.2
215.14304	5.1
219.13826	3.2
221.15323	100.0
222.15694	3.7
225.12679	4.0
229.12099	2.8
231.13945	3.6
233.15340	5.3
234.16158	8.6
277.21619	3.7
281.18900	5.1
286.19250	5.4
287.19998	6.9
299.19949	6.9
303.19592	9.7
328.55615	3.0
365.24747	11.1
383.25754	54.0
383.31085	6.8
384.26041	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	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
55.05492	20.5
57.07063	10.1
59.04981	6.5
65.03916	5.2
67.02261	2.6
67.05494	32.8
69.03416	19.4
69.07052	10.1
70.57337	4.2
70.57668	5.0
71.00120	3.3
71.04975	8.7
73.32085	2.4
79.05481	36.9
81.07042	35.4
83.04967	7.0
83.08598	7.3
85.06530	8.0
91.05464	46.6
93.07027	100.0
95.04949	33.7
95.08584	45.7
97.06530	15.8
101.50242	3.1
102.66795	3.1
103.05431	5.2
105.04475	5.6
105.06342	5.2
105.07012	88.0
105.34064	2.7
107.04966	2.9
107.08575	46.1
109.06498	30.3
109.10160	20.2
111.08058	9.3
113.09601	3.5
115.05426	4.9
117.07004	16.9
119.08553	50.1
120.09377	3.1
121.06500	17.4
121.10113	45.1
122.07296	3.2
123.08023	32.0
125.09628	3.6
128.06216	8.1
129.06996	15.6
130.07780	6.2
131.08545	27.7
133.06470	9.5
133.10089	33.3
135.08011	24.4
135.11658	7.6
137.09576	16.2
141.06996	4.0
142.07788	25.0
143.08560	27.8
145.10083	43.7
147.08025	29.6
147.11671	17.7
148.08792	8.5
149.09608	24.9
151.07518	42.8
153.09077	3.7
155.08490	7.9
156.09348	9.0
157.10092	43.4
158.10707	3.6
159.08067	8.2
159.11671	16.2
160.08775	5.5
161.09578	24.5
161.13255	10.7
163.11153	4.9
165.06990	3.5
165.09109	38.1
167.08456	3.5
168.09323	3.3
169.10060	9.6
170.10855	7.8
171.11671	10.4
173.09567	12.4
173.13232	11.0
175.11125	20.9
175.14775	5.0
177.09117	12.3
179.08545	4.8
181.12370	4.5
183.11641	6.1
185.13194	22.3
187.11107	9.5
187.14746	3.8
189.12666	12.6
191.14232	3.5
193.09973	3.6
197.13277	6.0
199.11095	3.8
201.12737	9.0
202.13200	3.0
203.10541	3.2
203.14273	36.0
207.11984	3.0
207.13768	14.1
209.13254	7.1
209.15346	5.9
211.14825	2.9
213.12697	3.5
213.16356	3.8
215.14259	12.4
216.15083	3.5
217.12120	3.3
221.13220	5.9
221.15318	64.3
222.15752	3.5
225.16235	3.8
225.48767	3.3
227.14389	3.7
233.15239	3.4
234.16064	8.1
237.14902	3.6
245.13159	3.2
246.66646	2.9
271.16861	3.9
281.19131	5.1
286.19305	5.1
287.19998	9.9
299.20041	5.6
303.19495	4.1
365.24646	11.2
383.18222	6.4
383.25723	83.0
383.30643	5.0
384.25940	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	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.03946	3.0
53.03914	3.8
55.05504	16.7
57.07060	14.6
59.04979	4.0
64.05863	3.2
67.05492	29.0
69.03417	19.2
69.07049	9.6
71.04985	5.0
78.60378	3.2
79.05492	31.6
81.07041	35.7
83.04962	7.9
85.06491	5.4
91.05463	47.8
93.07030	100.0
95.04962	27.0
95.08588	43.2
97.06514	15.8
101.17944	3.1
103.05431	3.5
105.07009	75.0
107.08576	42.8
109.06507	33.8
109.10145	18.7
111.08045	13.2
115.05401	4.6
117.06965	8.3
119.08559	57.4
121.06477	11.1
121.10127	42.5
123.08058	32.9
125.93893	3.3
128.06145	7.8
129.06963	10.3
131.08540	30.5
133.06461	13.7
133.10092	38.2
135.08026	22.6
135.11636	3.9
137.09587	12.0
141.06975	6.0
142.07727	17.1
143.08554	28.0
145.10106	47.2
147.08009	25.5
147.11664	20.7
148.08778	3.5
149.09634	25.0
151.07513	42.9
153.09006	4.0
155.08606	5.5
156.09314	10.9
157.10106	58.6
159.07986	7.6
159.11678	19.8
160.08829	7.0
161.09550	25.0
161.13246	7.8
163.11119	6.5
165.09074	44.7
170.10805	3.9
171.11623	8.2
172.08640	3.9
173.09566	8.2
173.13255	6.3
175.11180	24.2
175.14746	10.7
177.09087	16.1
178.09766	3.4
183.11665	6.2
185.09583	3.9
185.13243	21.0
187.11130	8.0
189.12685	11.7
191.14236	6.2
197.13219	8.5
198.15356	3.7
201.12764	6.7
203.14258	36.9
207.11823	6.1
207.13768	10.4
211.14771	4.7
213.12712	7.2
215.14297	11.9
216.14902	3.7
219.13741	4.8
221.13210	7.0
221.15324	83.5
222.15726	3.8
227.14299	6.3
231.13737	6.7
233.15303	4.4
234.16112	11.2
243.13536	5.2
281.18817	4.0
286.19156	10.3
287.20007	13.4
299.19772	4.7
303.19452	8.2
334.05331	3.6
365.24680	8.5
380.42227	3.5
383.25763	80.2
383.30475	3.2
384.26016	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	383.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
52.07079	0.6
53.03937	1.7
55.05508	1.5
57.07071	85.1
58.07400	0.7
67.05491	1.2
67.19633	0.7
69.07056	1.6
69.46690	1.1
69.47091	1.4
70.22262	0.6
71.08627	1.2
77.03545	0.6
77.03941	2.6
79.05476	1.4
81.07047	1.7
83.08610	1.3
87.04459	2.4
89.06022	69.7
91.05467	13.8
93.07035	27.6
95.04958	13.3
95.08588	1.8
97.06496	0.7
98.22739	1.3
102.22186	0.7
103.05457	8.5
105.04504	4.5
105.07017	2.5
107.04974	1.1
107.07057	2.1
107.08592	2.2
109.06468	0.6
109.10133	1.0
111.04415	1.8
113.13234	1.6
113.48015	0.7
115.05400	0.7
117.07000	1.0
118.07780	2.0
119.04939	3.2
119.08594	4.0
120.38171	0.6
121.06492	100.0
122.06836	3.3
123.08030	0.9
123.11642	0.7
125.05940	1.0
126.83218	0.6
130.08585	0.7
133.08592	30.6
133.10088	1.4
134.08908	0.9
135.08020	2.0
135.11662	1.2
137.05922	2.4
139.07498	2.0
145.10156	0.8
147.08034	8.8
147.11618	0.9
149.09596	1.7
149.13232	1.1
150.06717	1.9
163.11177	1.5
165.09097	45.8
166.09468	0.9
177.11217	7.0
177.12624	1.3
181.12228	2.3
183.10176	5.1
188.39856	0.6
209.11708	14.7
227.12683	2.5
229.25902	0.6
233.19031	6.1
249.18327	0.8
269.77271	0.7
271.15375	62.1
272.15701	3.2
277.18628	0.7
277.21603	5.6
287.39188	0.7
349.27295	1.0
383.27698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39846	0.4
53.98303	0.4
55.01874	0.5
57.03421	0.9
61.02900	0.6
68.99775	0.4
69.03424	2.1
69.52747	0.9
69.53127	0.6
71.01346	0.6
71.04961	0.6
81.03400	1.0
81.04742	0.4
83.39726	0.3
85.02888	11.4
87.04433	0.5
91.05469	2.8
96.78524	0.3
97.02898	2.4
99.04455	0.4
99.37679	0.4
107.04935	0.5
109.02877	1.2
110.07155	0.4
112.05058	1.6
115.05457	2.3
117.06993	3.9
127.03883	2.6
128.06233	0.8
129.06953	1.6
131.04895	1.3
131.08545	7.0
141.06969	12.4
144.05681	1.0
145.04912	1.3
145.06424	1.3
149.05937	0.5
149.09637	0.4
159.04385	1.2
159.08018	3.7
161.05919	1.0
169.06473	5.6
170.07195	0.9
171.53601	0.5
177.09082	3.4
185.05879	0.7
187.07509	100.0
188.07835	3.5
205.08493	1.5
211.07506	2.7
222.08409	0.4
222.13335	0.9
223.09341	2.4
253.08568	0.5
291.67432	0.4
343.01187	0.4
349.12744	3.3
350.13156	0.6
384.17346	0.6
385.14706	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96492	1.4
61.02901	1.9
67.05479	1.4
68.88110	1.2
69.03410	1.5
69.44582	2.6
69.44965	3.2
70.06575	5.0
71.04988	12.3
75.65932	1.4
85.02893	2.8
97.60649	1.2
106.04169	1.8
107.04938	2.6
111.04445	1.6
121.02850	3.8
127.07534	3.2
131.07019	3.7
145.08582	25.1
157.87508	1.2
162.03102	15.2
163.03867	2.2
179.03369	1.7
190.02574	19.2
191.09161	2.5
194.10138	1.4
208.03603	10.0
222.13301	2.2
223.05991	100.0
223.09431	5.5
384.16702	7.6
385.14609	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61961	1.9
55.05508	23.0
55.93525	2.1
67.52821	2.2
70.24612	2.1
71.04981	12.0
71.45102	2.4
81.07053	9.1
83.04975	9.0
85.02888	5.3
97.06507	6.4
104.85616	2.4
107.08591	4.2
109.06561	2.5
109.10167	6.2
121.11227	2.7
123.11754	3.7
130.06480	2.3
136.06252	3.1
148.07495	4.0
151.11154	3.3
165.04292	2.5
169.10820	1.8
169.12213	50.6
170.73238	2.3
194.97404	5.6
212.98401	3.5
222.13518	3.7
223.05835	4.6
223.09523	2.7
223.97624	3.1
237.95605	3.0
241.98697	6.0
246.99249	4.5
343.99771	6.2
350.15497	2.3
384.13440	13.0
385.10986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23285	12.7
69.03442	16.2
70.06589	28.6
75.73042	13.0
88.02216	15.1
91.43279	14.1
97.02914	14.0
111.33676	12.2
117.41370	13.5
120.94893	13.6
134.02728	16.2
140.86292	10.9
148.10725	11.6
154.76576	11.6
173.02776	13.6
177.37251	12.2
224.12791	37.9
225.17352	14.3
271.20200	16.6
385.08881	100.0
385.25381	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0915
Annotation	Tetracenomycin F2
Peak:m/z	Relative Intensity
55.01835	1.8
55.03910	0.7
67.05441	0.7
68.99783	2.9
69.20688	3.4
77.62560	0.7
78.00864	0.6
79.01797	0.9
79.89114	0.6
80.94720	0.5
81.06997	1.1
83.72231	0.5
88.50159	0.6
95.08521	0.6
96.02066	2.0
97.02839	2.2
111.04424	7.6
125.02335	16.4
133.02834	3.8
134.03578	1.1
137.05925	2.8
137.98184	0.6
139.03893	10.0
140.04660	25.5
141.04985	1.0
141.06931	0.7
151.03851	1.3
152.00995	1.8
152.06215	0.9
153.05405	6.1
153.06746	1.2
157.02861	1.0
157.43039	0.6
159.04248	0.6
161.05905	0.9
162.03072	7.0
163.91956	0.6
165.05458	1.9
165.06947	9.5
167.03386	26.1
168.03717	0.8
174.03088	0.6
175.03816	0.7
176.04604	0.8
177.05473	12.5
180.05669	0.7
181.06464	5.7
182.07188	2.3
184.05148	1.6
185.05887	1.1
189.05409	2.1
192.05577	1.5
193.04883	5.8
193.06444	10.2
195.04327	1.0
196.05174	0.8
197.05939	1.5
198.06754	1.2
203.03297	0.8
205.04942	32.2
206.05260	1.2
208.05174	1.6
209.05939	6.9
210.06677	6.3
211.03679	0.7
211.07518	1.3
212.04616	2.5
213.05374	2.3
217.04881	3.5
218.05693	1.2
219.06113	0.8
220.05148	2.8
221.05968	47.1
222.06371	2.9
223.03827	2.0
225.05336	1.8
226.06223	3.6
227.03596	0.8
227.06964	3.9
229.04971	0.9
230.02040	0.9
235.07454	3.1
236.04657	5.0
237.05513	15.7
238.06207	8.3
240.04005	2.3
241.04903	1.8
241.08543	1.2
245.04373	4.2
246.05171	0.9
247.06027	2.2
248.04614	1.0
249.05460	17.3
250.06113	5.1
251.03459	0.8
251.06990	1.7
253.04913	2.3
253.08505	3.3
253.18370	0.8
254.05681	7.0
255.06494	6.6
258.05258	0.7
263.07037	1.9
264.04108	6.1
264.07535	1.1
265.04907	22.8
266.05646	8.3
268.03546	0.9
268.06973	0.7
269.04449	1.9
269.08032	7.5
279.06482	8.0
280.07150	2.4
281.04379	2.0
281.08032	6.1
282.05170	9.3
283.05908	4.4
284.06516	0.9
292.03513	3.1
293.04404	13.6
293.07657	0.8
294.05096	2.1
295.05902	0.9
296.03305	0.7
296.06693	1.9
297.07529	41.3
298.04703	1.5
298.07953	3.2
299.05423	1.1
300.06082	0.8
307.05923	5.3
308.06622	2.0
309.03946	2.0
309.07330	1.2
310.04642	10.9
311.05374	4.1
311.09024	1.4
313.07205	3.1
314.07785	1.3
315.08542	0.9
324.06247	7.2
325.07013	100.0
326.07535	12.2
329.10107	2.1
335.05524	1.5
339.08615	12.5
340.08981	1.4
341.06482	2.4
341.10178	1.1
342.07193	2.1
343.07855	1.2
353.06467	1.2
357.09634	60.9
358.10104	3.5
367.08087	3.9
370.06918	1.4
385.09122	37.0
386.09564	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	385.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
56.96559	4.6
69.03434	5.2
69.34946	5.0
70.06585	2.9
71.04969	1.4
73.02908	1.2
77.00886	1.2
81.03417	3.3
82.99847	1.8
85.02909	7.8
88.02225	2.6
97.02873	9.8
98.97560	16.9
100.71218	1.0
101.00869	21.0
105.00367	1.9
107.04954	1.2
109.02867	4.1
110.97552	1.7
111.47368	1.0
112.72406	0.9
113.00840	2.5
115.02491	1.2
115.03931	2.1
115.53819	1.1
116.98610	11.3
118.01169	1.2
119.01906	66.1
120.02013	3.8
121.01685	2.8
121.02895	1.9
127.02483	1.5
127.03898	2.4
128.69177	1.0
128.98624	1.6
131.01895	18.2
133.01726	1.0
133.02812	3.3
134.02718	3.3
134.99629	5.9
136.06186	5.5
137.00803	1.0
137.02934	15.7
138.03009	1.1
139.02553	1.2
143.01875	28.2
143.02943	1.4
144.01971	2.0
145.03462	12.6
146.99696	1.1
147.01447	1.1
147.03302	1.8
149.02965	2.3
155.01866	14.6
157.03447	8.0
159.01309	1.4
161.02934	100.0
162.03058	6.3
163.02686	1.5
163.04530	3.1
165.05544	1.7
167.01778	1.7
167.03032	1.3
169.03470	2.2
172.00064	1.2
173.01422	1.8
173.02940	22.8
174.03032	1.5
175.02751	1.7
175.04565	3.8
177.00887	1.7
177.05492	4.2
179.01987	3.5
179.04021	3.2
183.01472	1.1
184.02151	12.1
184.04523	1.7
185.02937	18.8
186.03008	1.2
187.02879	1.5
187.04524	4.7
189.00636	2.5
191.02303	1.2
191.04002	2.5
197.02919	26.7
197.04619	1.8
198.03265	1.3
199.02730	2.0
199.04532	1.2
201.00781	1.5
201.02522	1.1
202.03149	5.8
203.03984	19.4
203.05832	1.5
204.04132	1.5
205.03688	1.3
205.05545	1.3
207.01468	2.9
208.02145	8.9
209.02788	3.1
210.03654	2.1
215.03931	6.3
219.01807	3.6
220.02121	1.8
220.04408	1.1
221.02945	2.6
221.05095	5.0
223.04550	2.6
225.02434	1.4
226.03221	9.1
227.04053	5.1
229.05502	1.2
231.01767	1.4
232.02167	5.2
232.96835	1.1
235.04620	2.4
236.04898	1.3
237.02841	3.6
238.03181	4.9
239.04205	2.4
240.04880	3.1
241.05595	9.1
244.02106	1.7
244.04382	2.6
245.05040	35.3
246.05365	4.1
246.98067	1.3
247.04695	3.8
250.03207	17.8
251.03624	1.9
252.04817	1.7
253.05528	8.6
258.99835	4.1
259.04480	1.3
260.99597	5.4
262.03293	4.0
263.06094	11.2
265.05566	14.8
268.04340	2.5
277.00925	3.9
277.05771	2.7
278.00955	2.0
279.00446	6.7
283.06662	14.6
284.07043	1.3
295.06799	2.6
305.07114	8.4
307.06772	2.2
310.05283	7.5
313.04245	1.3
313.07684	1.8
325.07321	3.8
326.02377	3.4
333.04898	1.6
342.97632	1.2
343.08319	4.2
344.03259	4.2
355.36194	1.0
385.09775	68.5
385.25540	1.5
386.09793	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	385.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04354	2.5
63.42013	2.3
70.08709	4.5
81.07051	2.7
92.46079	2.1
116.78918	2.0
207.40166	2.3
211.67961	2.2
242.73138	2.4
259.98239	2.5
353.07816	100.0
354.08157	6.7
368.10263	6.9
385.10422	18.3
385.15985	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	385.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93845	0.5
55.05511	0.5
55.93527	0.4
69.03422	0.7
69.22340	1.2
69.22727	1.2
70.06586	0.7
75.27684	0.4
85.02899	0.9
97.02885	0.6
98.22756	0.9
123.04374	0.9
138.73318	0.5
156.50175	0.5
160.05289	0.5
163.03918	1.0
174.02893	0.8
194.97348	2.0
196.43443	0.4
203.05215	0.7
212.98482	1.7
223.05731	6.6
223.09459	1.7
223.13135	0.5
223.97636	1.2
224.09047	0.6
237.95602	1.6
241.08092	0.4
241.98782	1.2
246.99278	1.6
265.00262	0.6
299.07425	2.1
314.99478	0.5
315.82855	0.4
343.99774	2.5
346.52661	0.6
385.10968	100.0
386.11227	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	385.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13470	4.8
53.70683	4.4
69.26267	4.6
70.21774	9.5
75.00812	5.5
77.90851	4.7
79.05504	5.0
91.05514	9.4
93.06998	6.0
95.04958	12.0
100.09466	4.9
109.06502	6.5
121.06528	6.8
133.76376	4.7
137.05966	32.8
151.07481	6.4
161.05994	15.3
163.03931	5.3
167.07071	5.8
169.04869	5.2
170.87181	4.6
175.87881	5.0
177.05507	8.2
189.09018	6.6
207.10027	5.5
209.47755	5.3
223.07375	5.5
353.10144	7.6
383.50363	5.7
385.12564	100.0
385.18146	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	385.1279
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01873	1.9
55.05500	0.5
57.03426	0.6
65.03938	2.4
67.05502	1.2
67.37696	0.2
68.99748	0.2
69.07074	0.3
69.98808	0.2
70.06202	0.4
70.06545	0.3
75.04495	0.3
77.03917	0.2
79.05479	1.0
80.80433	0.2
81.03418	0.5
81.07077	0.5
82.04218	0.4
85.02896	0.7
91.05484	1.2
93.03391	0.5
93.07032	0.4
94.04160	0.3
95.01295	0.5
95.04947	1.5
95.08594	0.5
103.05450	0.4
105.03374	0.5
105.04515	0.5
105.07011	0.8
106.04163	0.3
107.04939	0.5
107.08567	0.3
108.02107	0.3
109.06565	0.3
109.10149	0.5
110.03642	1.3
111.04408	1.7
115.05438	1.4
116.06225	0.4
117.07003	0.4
119.04913	0.6
119.08608	0.2
121.02841	0.9
121.06474	0.4
123.04403	0.6
123.94175	0.2
125.05976	1.8
127.05475	0.2
128.06213	0.5
129.06999	0.5
131.04915	0.9
133.06404	0.5
134.03618	0.3
135.04385	0.6
135.08032	0.3
137.02332	0.5
137.05946	0.7
138.03069	0.3
139.94418	0.3
141.06993	0.6
144.05685	0.6
145.06491	0.8
146.07185	0.3
147.04437	0.3
149.02332	0.6
151.03920	1.1
152.06219	0.8
153.05450	3.1
153.06918	0.7
155.04915	0.5
155.08582	0.3
157.06483	0.6
158.07228	0.3
159.04436	0.3
159.08043	0.9
161.05963	1.0
163.03909	0.3
165.05511	0.2
165.06967	3.9
166.07742	1.5
167.08524	1.4
168.05693	0.8
169.06487	0.8
171.04385	0.3
171.08051	0.4
172.05132	0.4
172.13657	0.2
173.06027	0.4
174.06816	0.3
175.07561	0.5
176.06186	0.5
177.05540	0.4
177.06958	1.0
178.07730	3.2
179.03377	0.4
179.08542	3.3
180.09212	0.4
181.04932	0.3
181.06433	2.5
181.10062	0.3
182.07196	0.9
183.04385	0.4
183.08026	1.0
184.05196	0.2
185.05978	0.8
187.07593	0.3
189.06918	1.9
189.99683	0.2
190.07767	2.7
191.07014	0.4
191.08537	3.5
192.05669	0.5
192.09332	0.7
193.04904	0.5
193.06464	1.5
193.10181	0.5
194.07234	2.9
195.08025	3.5
196.05107	0.4
196.08780	0.8
197.05917	1.0
197.09605	1.2
198.06757	0.6
198.10342	0.3
199.07521	1.1
202.07719	1.7
203.08578	1.7
204.09325	0.5
205.06461	2.7
205.08276	0.4
205.10205	0.3
206.07245	2.1
207.08038	4.9
208.05214	0.8
208.08827	2.1
209.05980	1.2
209.07979	0.2
209.09560	1.8
210.06691	1.7
210.10178	0.3
211.07487	3.7
212.08243	0.4
213.05421	0.3
213.09096	0.3
214.06122	0.2
215.06787	0.3
215.08647	0.4
215.10437	0.2
217.06456	0.7
217.08614	0.6
218.07230	3.1
219.08017	5.3
220.05156	0.9
220.08713	1.9
221.05954	3.8
221.09499	1.9
222.06709	3.3
222.10162	0.3
223.07504	4.1
223.11150	0.6
224.04793	0.3
224.08296	2.6
225.05428	0.5
225.09042	2.5
226.06253	0.6
226.09784	1.0
227.06996	0.9
227.10597	0.4
229.08499	0.3
230.07281	0.4
231.08040	1.7
232.08751	1.1
233.06053	1.3
233.09616	1.3
234.06653	2.5
235.07491	8.3
235.11069	0.4
236.04623	0.7
236.05821	0.3
236.08226	4.7
237.05537	1.2
237.09042	4.5
238.06096	1.6
238.09720	1.1
239.06947	3.7
239.10524	1.0
240.07713	1.1
241.08505	1.3
242.09331	0.3
243.10194	0.5
245.05940	0.6
246.06703	1.2
247.07483	4.4
248.08243	2.8
249.05472	1.9
249.09067	4.6
250.06215	1.8
250.09824	2.0
251.06992	4.5
251.10768	1.7
252.07790	3.3
253.08562	4.3
254.06050	0.3
254.09235	1.4
255.06554	0.6
255.09975	1.3
256.07376	0.5
257.08124	0.4
258.06717	0.4
259.07394	1.2
260.08224	0.8
261.05518	0.7
261.09082	2.2
262.06296	1.1
262.10019	0.4
263.07031	4.4
263.10648	0.8
264.07767	4.8
265.05371	0.3
265.08554	6.5
266.05856	0.6
266.09262	2.2
267.06561	1.3
267.10138	4.3
268.07205	0.8
268.10757	0.7
269.08115	0.9
269.11703	0.7
270.08899	0.5
271.09637	0.6
273.05560	0.3
274.06241	1.0
275.06989	1.8
275.10168	0.3
276.07733	1.5
277.08551	4.0
278.06009	0.4
278.09351	2.5
279.06561	1.9
279.10123	5.5
280.07288	1.9
280.10709	0.8
281.08057	3.9
281.11584	0.8
282.08783	1.9
283.09558	1.7
284.10080	0.3
285.11331	0.3
288.07767	0.3
289.08533	0.7
291.06464	0.8
291.10101	1.2
292.07364	1.6
292.10281	0.4
293.08047	1.9
293.11682	0.7
294.08795	1.7
295.06296	0.3
295.09558	4.7
296.06924	0.3
296.10330	1.0
297.07794	0.4
297.11102	1.8
298.08353	0.3
298.11768	0.4
299.09183	0.6
299.12561	0.3
305.07928	0.5
306.08911	0.9
307.09592	27.8
308.06561	0.4
308.10019	3.0
309.07574	1.2
309.11203	3.6
310.08249	1.0
310.11832	0.6
311.09103	1.0
311.12851	0.2
312.09720	0.3
313.10760	1.5
314.11374	0.3
321.11111	0.6
323.09039	5.8
324.09875	1.1
325.10626	4.7
326.11200	0.5
327.12149	0.4
329.13837	0.9
335.09052	0.6
337.10550	2.0
338.11401	1.0
339.12225	3.0
340.09271	0.4
340.12851	0.3
349.10779	0.3
352.09283	0.3
353.10184	0.9
355.11694	2.2
356.12491	0.3
357.13248	1.9
367.11682	1.8
370.10010	0.4
385.12750	100.0
386.13092	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	385.1277
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01858	2.1
56.63412	0.5
59.59952	0.7
65.03928	1.9
69.07034	0.7
69.29346	0.6
75.87189	0.5
79.05459	0.8
81.07061	0.8
83.41599	0.5
91.05469	1.5
93.03377	1.0
95.04945	1.1
100.11248	1.0
103.05430	0.8
105.03391	0.8
105.04512	0.5
105.07012	0.6
107.04985	0.6
110.03664	1.6
110.70850	0.5
111.04430	1.9
114.59441	0.5
115.05464	1.4
121.02834	1.3
121.06454	0.6
125.05975	2.2
128.06296	0.7
131.04887	0.9
134.03589	0.6
137.05939	0.6
145.06490	1.4
147.04393	0.6
149.02328	0.8
151.03868	1.1
152.06178	1.5
153.05453	2.5
153.06931	0.7
155.04871	0.8
157.14037	0.5
159.08025	0.6
161.06021	0.6
165.06920	4.8
166.07703	1.5
167.08510	0.9
169.06467	1.0
176.06032	0.5
177.06961	1.2
178.07744	3.8
179.08545	3.2
180.09222	0.6
181.05025	0.6
181.06477	2.3
182.07257	1.1
183.07965	0.8
185.05919	0.6
189.06978	2.3
190.07668	2.5
191.08592	2.9
192.09358	0.7
193.06471	2.2
194.07217	2.5
195.07985	3.9
196.08878	0.8
197.05908	0.8
197.09552	0.8
198.06772	0.9
199.07370	0.6
202.07791	2.0
203.08508	2.2
205.06537	3.1
206.07216	2.6
207.08075	5.5
208.08789	1.7
209.05923	1.5
209.09641	1.3
210.06743	2.1
211.07587	4.2
212.08212	1.4
215.08669	1.0
218.07246	3.6
219.08000	5.0
220.05144	0.8
220.08763	2.3
221.05974	3.4
221.09572	1.8
222.06766	4.0
223.07512	3.8
223.10948	0.7
224.08279	2.3
225.09129	2.3
226.06192	1.1
226.09853	0.9
227.06979	1.3
231.08023	1.1
232.08800	0.8
233.05901	1.7
233.09532	1.5
234.06677	2.7
235.07465	8.8
236.04646	1.0
236.08278	4.6
237.05347	0.9
237.08986	4.4
238.06189	1.7
238.09764	1.7
239.06944	2.7
239.10605	1.6
240.07811	0.7
241.08527	1.2
246.06645	1.9
247.07556	3.8
248.08292	2.6
249.05424	2.2
249.09015	4.1
250.06180	2.5
250.09827	1.5
251.06993	4.8
251.10620	1.7
252.07686	2.8
253.08640	4.0
254.09308	2.0
255.10164	1.1
260.08392	0.8
261.09076	2.1
262.06323	0.7
262.09698	0.9
263.07007	4.8
263.10730	0.7
264.07748	4.6
264.10275	0.7
265.08530	6.1
266.05667	0.7
266.09213	1.8
267.06723	1.1
267.10110	4.4
268.07404	1.2
268.10626	0.7
269.08099	0.9
271.09637	0.8
274.06219	0.9
275.06955	1.4
276.07779	1.4
277.08569	4.3
278.06186	0.6
278.09286	2.7
279.06433	1.6
279.10095	5.0
280.07202	1.2
281.08047	4.1
281.10904	0.8
282.08810	1.7
283.09619	1.6
289.08600	0.9
291.06537	0.9
291.09814	0.8
292.07275	1.5
293.08014	3.1
294.08832	1.6
295.09601	4.9
296.10440	1.3
297.11157	2.2
306.08527	0.6
307.09601	25.7
308.10068	2.3
309.07651	1.2
309.11185	3.4
310.08307	0.7
311.09015	1.4
313.10556	1.3
320.10217	1.1
321.07468	0.7
323.09100	6.4
324.09723	1.4
325.10648	6.1
326.11133	1.0
337.10706	2.6
338.11398	0.7
339.12216	2.3
353.10114	1.0
355.11661	2.3
357.13287	1.9
367.11700	1.2
384.32297	0.9
385.12747	100.0
386.13144	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	385.1278
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
51.44000	0.4
52.85455	0.4
53.84114	0.4
55.01872	2.0
57.03421	0.5
58.86510	0.4
64.38374	0.3
65.03938	1.8
69.08926	2.9
79.05480	0.6
81.07079	0.5
91.05460	1.2
93.03392	0.8
95.04953	1.5
98.22649	0.6
105.03387	0.6
105.07005	0.5
107.04974	0.6
110.03642	1.5
111.04436	1.2
115.05450	0.5
119.08537	0.5
122.93772	0.4
125.05965	2.2
129.06931	0.5
131.04852	0.9
131.24336	0.4
133.06470	0.9
134.03642	0.6
135.04439	0.5
140.81573	0.4
141.07028	0.5
145.06519	0.9
147.08070	0.5
149.02251	0.6
151.03876	1.5
152.06122	1.0
153.05438	2.9
153.06792	0.6
159.08049	0.6
161.05946	0.8
165.05588	0.7
165.06958	4.1
166.07779	1.0
167.08589	1.0
169.06480	0.8
171.07980	0.8
172.26189	0.4
175.07527	0.9
177.06996	1.6
178.07800	2.9
179.08553	2.1
181.06401	2.9
182.07280	1.4
183.04443	0.5
183.08047	0.7
184.05280	0.5
185.05911	0.7
189.07018	1.9
190.07788	2.3
191.08566	2.8
192.05669	0.5
192.09163	0.5
193.04872	0.7
193.06461	1.6
194.07204	2.2
195.07986	2.0
196.08714	0.7
197.06013	0.8
197.09663	0.6
198.06738	0.9
202.07799	1.5
203.08525	1.8
205.06421	3.5
206.07248	2.0
207.08022	4.0
208.05180	0.5
208.08781	2.4
209.05952	0.6
209.09619	1.6
210.06717	1.7
211.07484	3.3
212.08264	0.9
213.08971	0.7
217.06454	0.6
218.07191	3.4
219.08032	4.5
220.05238	0.9
220.08772	1.5
221.05988	4.2
221.09477	2.0
222.06709	3.4
222.10271	0.5
223.07436	3.4
223.11319	0.6
224.08286	2.6
225.05508	0.6
225.09059	2.6
226.06192	1.3
226.09746	0.5
227.06987	0.9
231.08038	1.6
232.08833	1.2
233.05844	1.0
233.09561	1.7
234.06731	3.0
235.07483	7.8
236.04535	0.6
236.08235	3.4
237.05431	1.0
237.08998	3.5
238.06169	1.5
238.09825	0.9
239.07001	3.3
239.10670	1.6
240.07680	1.4
241.08574	1.2
246.06735	1.2
247.07489	3.7
248.08289	2.0
249.05429	1.5
249.09027	4.0
250.06219	1.8
250.09842	1.6
251.06949	5.0
251.10683	1.9
252.07742	3.2
253.08510	4.7
254.09302	1.7
255.10150	1.4
259.07596	0.6
260.08209	0.5
261.09070	1.9
262.06247	0.9
263.07040	4.5
263.10489	0.6
264.07819	4.4
264.10449	0.6
265.08533	6.3
266.09290	1.8
267.06558	1.6
267.10172	3.4
268.07349	0.5
268.10681	0.5
269.08118	1.1
269.11710	0.7
271.09595	1.0
274.06131	0.7
275.06998	1.5
276.07843	1.6
277.05585	0.6
277.08508	4.0
278.09351	2.8
279.06577	2.0
279.10144	5.8
280.07193	1.5
280.10547	0.8
281.08154	4.9
281.11279	0.6
282.08713	2.2
283.09720	1.0
289.08536	0.6
291.06592	0.5
291.09927	1.1
292.07272	1.1
293.07983	1.8
293.11362	0.8
294.08768	1.5
295.09531	4.5
296.10339	1.0
297.07816	0.6
297.11118	1.5
299.09259	0.8
305.07999	0.7
306.08673	0.7
307.09570	25.6
308.09955	2.5
309.07736	0.8
309.11197	3.3
310.08398	0.9
310.11563	0.6
311.09015	1.2
313.10632	1.5
323.09045	6.1
324.09827	1.2
325.10669	5.2
326.11313	0.7
329.13748	0.6
337.10709	1.6
338.11539	1.0
339.12305	3.4
340.09317	0.5
353.10028	0.9
355.11761	2.1
357.13220	1.9
367.11728	1.5
370.10809	0.6
385.12744	100.0
386.13074	7.4
394.02432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48958	0.3
60.60133	0.3
63.35378	0.3
65.22581	0.3
69.09589	2.6
96.93626	0.3
98.23425	0.8
102.00298	0.3
170.33583	0.3
185.04213	2.7
214.70160	0.3
223.09392	100.0
224.09711	4.1
385.14651	49.2
386.15030	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	385.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54373	0.3
55.93520	0.9
62.94510	0.3
63.73619	0.3
69.03413	0.6
69.84633	0.6
69.84959	0.4
70.06562	0.3
73.02896	0.8
81.03400	0.5
85.02890	1.4
95.66902	0.3
97.02878	0.7
98.22765	0.6
145.04886	0.7
161.05890	0.4
164.55498	0.3
177.09120	0.4
185.04202	1.2
189.09030	1.0
194.97357	1.8
200.87332	0.3
202.40971	0.3
212.98412	2.0
221.08057	1.1
222.08481	0.5
223.09373	100.0
223.97612	1.2
224.09740	3.5
237.95525	1.1
241.98750	2.1
246.99174	1.7
265.00235	0.5
314.99435	0.4
343.99838	2.1
385.14548	33.0
386.14783	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54373	0.3
55.93520	0.9
62.94510	0.3
63.73619	0.3
69.03413	0.6
69.84633	0.6
69.84959	0.4
70.06562	0.3
73.02896	0.8
81.03400	0.5
85.02890	1.4
95.66902	0.3
97.02878	0.7
98.22765	0.6
145.04886	0.7
161.05890	0.4
164.55498	0.3
177.09120	0.4
185.04202	1.2
189.09030	1.0
194.97357	1.8
200.87332	0.3
202.40971	0.3
212.98412	2.0
221.08057	1.1
222.08481	0.5
223.09373	100.0
223.97612	1.2
224.09740	3.5
237.95525	1.1
241.98750	2.1
246.99174	1.7
265.00235	0.5
314.99435	0.4
343.99838	2.1
385.14548	33.0
386.14783	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1467
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
59.41603	0.3
65.34293	0.3
70.06579	0.8
70.59801	0.4
79.05474	0.3
85.02908	0.3
86.09708	0.3
97.14680	0.3
97.75162	0.3
100.11251	0.6
104.86237	0.3
107.04930	0.4
108.10729	0.3
114.09158	0.7
127.08659	0.3
134.03601	0.5
137.05956	0.5
142.08629	0.4
151.06279	0.3
162.03157	2.0
182.15459	0.3
190.02589	1.9
208.03650	1.6
210.14899	0.8
223.06010	10.5
223.09373	7.6
223.13011	0.3
333.90643	0.3
385.14633	100.0
386.15012	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	385.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66698	1.0
69.59000	1.8
69.59371	2.1
72.77431	1.0
108.51714	1.0
133.76219	1.0
135.04391	2.3
151.53146	1.2
205.04965	1.4
327.92142	1.1
367.15045	2.1
385.16180	100.0
386.16669	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.2
63.37403	0.9
67.05495	1.1
70.45592	1.0
71.84215	0.8
100.11243	1.3
102.06427	1.0
105.07013	1.2
109.10035	0.9
110.25179	0.9
137.05988	1.7
145.60124	0.9
157.24503	0.8
161.05879	1.4
163.54385	0.9
167.06966	1.0
175.07527	2.3
179.60530	1.0
204.07602	3.2
234.57825	0.9
279.10095	1.3
304.15903	1.0
353.10309	1.7
371.35779	1.0
374.71704	1.1
382.60529	0.9
385.16238	100.0
386.16605	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2557
Annotation	Pro Arg Leu
Peak:m/z	Relative Intensity
54.00103	0.6
55.01869	0.7
62.66183	0.6
65.03942	0.9
67.05489	1.2
71.41743	0.7
79.05484	0.9
81.03397	0.7
81.07045	1.5
91.05453	0.9
95.04938	1.2
116.98429	1.2
121.02913	0.6
131.00029	1.9
140.98462	0.9
143.00000	1.2
153.05478	1.1
154.99969	0.8
161.98236	0.7
174.99026	1.9
185.01085	1.8
189.00543	1.5
199.02673	1.8
203.02112	1.6
205.06580	0.7
206.07153	0.7
210.06703	0.6
217.03749	0.8
223.07777	0.7
235.07501	1.0
269.06845	2.1
277.08682	0.9
279.09933	0.9
287.07831	1.8
295.09137	0.7
307.09625	1.6
323.09247	1.0
335.08966	0.8
355.11783	1.1
385.12680	9.3
385.25552	100.0
386.13135	0.8
386.25894	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	385.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57452	2.1
55.05509	3.3
67.05495	2.2
70.60877	3.1
79.05473	3.6
81.07059	5.1
91.05479	2.4
93.06991	3.0
95.08607	4.2
97.06551	2.4
98.35913	2.1
105.07001	2.9
113.68243	2.1
135.11684	2.5
149.02339	6.7
165.09055	2.7
188.34164	2.2
193.04991	3.3
385.09082	5.5
385.25571	100.0
386.25998	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	385.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.7
55.05501	13.0
57.07061	5.4
67.05492	25.8
69.03410	6.6
69.07049	9.4
69.43270	2.1
69.44161	3.5
69.44543	4.7
71.04958	3.5
71.08622	13.1
79.05473	18.2
81.07046	32.7
83.04967	7.2
83.08598	4.4
85.06539	4.9
91.05468	14.5
93.07025	28.7
95.04958	14.2
95.08594	19.4
96.05726	2.9
96.57430	2.0
97.02878	9.9
97.06512	8.9
99.08086	7.6
105.07007	14.7
107.04941	2.2
107.08585	10.7
109.06503	19.4
109.10150	6.4
111.04453	13.7
113.05969	5.1
116.06226	2.7
119.08547	9.7
121.06497	18.3
121.10128	13.4
123.04382	8.4
123.08030	7.5
124.05169	3.4
125.05997	2.4
131.08554	14.1
133.10138	4.0
135.08018	5.3
135.11641	2.5
137.05971	4.5
137.09605	2.3
143.08540	2.4
143.10701	3.0
145.10101	4.9
147.08044	4.9
147.11670	3.0
149.09567	13.3
151.07547	2.8
151.11172	3.3
163.11147	6.9
165.12697	19.6
167.10622	4.1
177.12791	2.8
179.14230	2.3
181.12207	100.0
182.12584	2.6
185.13144	2.3
189.12746	4.4
191.14272	4.3
207.13794	3.0
213.12682	2.2
249.68814	2.1
261.22162	2.7
263.16153	3.4
269.50189	2.3
277.21570	3.0
289.21661	13.0
296.57327	2.3
305.21045	17.9
351.25272	60.1
352.25565	6.4
370.22595	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	0.6
69.48991	0.9
69.49371	0.8
70.06601	1.1
72.08144	1.0
73.02917	0.7
75.89941	0.5
78.04704	4.3
79.05499	5.2
80.06260	1.6
85.02923	1.4
86.09687	1.1
88.19992	0.6
91.05467	1.7
94.06561	2.0
95.03175	0.6
95.03739	0.9
96.04482	1.0
96.05760	0.7
96.28072	0.5
102.34877	0.6
104.75593	0.7
105.04492	0.6
106.04168	15.9
107.04983	1.5
108.05750	4.0
118.06622	0.6
119.04921	3.1
121.06452	0.7
122.06019	7.6
123.06811	9.5
131.04909	0.9
133.02850	1.1
133.05222	6.6
134.03621	25.4
134.05989	1.6
136.07564	0.7
146.05981	1.7
147.04404	9.8
151.06273	100.0
152.06609	3.5
165.05536	1.5
165.06953	0.7
167.07132	0.7
168.05687	1.7
176.04681	0.6
179.07005	1.5
189.06995	0.6
190.07779	0.8
191.03479	0.5
191.06976	1.4
191.08551	5.1
193.04962	8.2
202.07684	0.8
203.05711	1.5
204.06276	0.6
205.04901	0.6
205.06494	4.7
207.06480	10.2
207.08195	1.0
208.06816	0.8
218.07259	0.8
219.08080	5.8
221.06020	0.7
225.10915	5.7
233.05942	8.4
234.06737	2.1
235.05887	5.8
240.98206	0.7
246.07184	0.6
247.07875	15.1
248.08636	1.2
249.09114	1.2
250.06161	0.8
258.30502	0.5
262.06226	1.5
263.06970	2.1
264.07834	1.7
265.08597	5.8
266.08911	0.6
273.05399	1.8
277.08499	5.0
279.10083	3.2
280.09946	0.5
281.08142	0.7
290.05844	0.7
291.06433	1.8
295.09772	1.2
305.08096	2.2
307.09766	0.8
308.09277	1.2
322.10681	0.9
323.09082	4.8
333.07632	0.8
368.11392	0.6
386.12247	19.5
387.16272	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	386.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01859	1.1
57.03416	1.7
58.06585	2.2
61.02924	3.2
68.04997	0.7
69.03419	7.7
69.64423	1.1
69.64809	1.5
69.93182	0.6
70.06569	1.0
71.04977	1.1
73.02895	1.9
79.05470	1.8
81.03397	3.6
85.02895	21.0
87.04477	1.4
91.03945	1.5
91.05471	4.0
97.02883	6.6
98.22769	0.8
98.97562	0.7
99.04446	1.5
103.05450	5.7
103.31959	0.6
105.07017	17.3
107.04964	0.7
109.02878	2.0
115.03936	0.7
115.05444	0.9
118.06513	6.5
119.08556	0.6
120.08087	14.6
127.03891	3.4
127.98027	0.6
128.06207	2.3
130.06468	0.9
131.04898	2.0
131.07266	1.6
131.08443	1.0
131.97192	0.7
132.08051	1.3
133.31285	0.6
143.08565	1.2
145.04948	3.1
148.11147	0.8
149.05994	0.9
158.09671	1.1
160.05173	1.0
160.11194	65.4
161.05913	0.9
161.11568	3.1
178.12242	57.3
179.12674	2.8
189.09024	4.2
206.11731	10.9
206.15369	0.9
207.10156	0.8
207.13739	0.7
224.12781	100.0
225.13132	4.7
248.12772	1.0
331.57208	0.5
350.15866	0.9
351.96716	0.7
386.18298	3.1
387.16290	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	386.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
55.13044	1.2
56.15529	1.1
56.96566	1.4
57.03431	5.5
57.18670	1.2
61.02925	2.6
69.03428	7.4
69.07191	1.1
69.37596	5.3
73.02907	11.0
79.05482	2.2
81.03399	2.1
81.04539	1.2
85.02901	23.4
86.09675	1.5
91.05475	2.7
93.53754	1.3
97.02894	11.0
103.05479	1.4
105.07021	2.2
106.04174	1.8
107.04903	1.4
109.02878	1.9
110.07181	1.6
115.03915	3.6
115.05450	1.5
119.08608	3.0
120.72569	1.4
123.04420	5.2
123.06812	1.6
127.03931	4.8
127.04813	1.3
133.05054	3.0
133.06488	2.2
134.03610	3.2
137.05989	1.4
143.08542	3.0
145.04968	8.5
147.04443	6.2
148.05179	2.1
151.06310	15.3
160.05191	18.9
161.05966	22.3
161.09576	2.5
163.05988	4.0
167.06996	1.5
174.06725	8.7
182.08035	1.2
185.04196	3.2
189.09087	100.0
190.09451	6.4
194.97360	2.2
195.97670	2.3
197.00977	1.3
213.09126	3.8
223.09315	9.2
224.09743	12.0
225.11000	13.7
237.95532	1.7
241.98907	1.4
247.08684	1.3
247.99651	1.5
255.10132	1.6
266.00720	1.4
303.15558	1.3
315.12119	1.9
327.83023	1.2
344.99606	2.9
345.03186	1.9
351.14401	15.0
357.63181	1.4
386.15036	14.2
386.22656	2.9
387.16287	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
55.13044	1.2
56.15529	1.1
56.96566	1.4
57.03431	5.5
57.18670	1.2
61.02925	2.6
69.03428	7.4
69.07191	1.1
69.37596	5.3
73.02907	11.0
79.05482	2.2
81.03399	2.1
81.04539	1.2
85.02901	23.4
86.09675	1.5
91.05475	2.7
93.53754	1.3
97.02894	11.0
103.05479	1.4
105.07021	2.2
106.04174	1.8
107.04903	1.4
109.02878	1.9
110.07181	1.6
115.03915	3.6
115.05450	1.5
119.08608	3.0
120.72569	1.4
123.04420	5.2
123.06812	1.6
127.03931	4.8
127.04813	1.3
133.05054	3.0
133.06488	2.2
134.03610	3.2
137.05989	1.4
143.08542	3.0
145.04968	8.5
147.04443	6.2
148.05179	2.1
151.06310	15.3
160.05191	18.9
161.05966	22.3
161.09576	2.5
163.05988	4.0
167.06996	1.5
174.06725	8.7
182.08035	1.2
185.04196	3.2
189.09087	100.0
190.09451	6.4
194.97360	2.2
195.97670	2.3
197.00977	1.3
213.09126	3.8
223.09315	9.2
224.09743	12.0
225.11000	13.7
237.95532	1.7
241.98907	1.4
247.08684	1.3
247.99651	1.5
255.10132	1.6
266.00720	1.4
303.15558	1.3
315.12119	1.9
327.83023	1.2
344.99606	2.9
345.03186	1.9
351.14401	15.0
357.63181	1.4
386.15036	14.2
386.22656	2.9
387.16287	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.0
57.03427	15.8
59.04982	2.4
61.02914	9.4
69.03423	32.6
70.55289	3.4
70.55619	2.8
71.01340	3.6
73.02911	76.2
81.03401	4.4
85.02895	100.0
85.03413	4.8
86.03220	2.4
87.04458	9.1
91.03945	5.4
97.02881	51.0
97.03486	3.7
99.04485	3.0
109.02858	7.1
115.03924	24.8
127.03881	27.9
129.18828	2.0
131.91580	2.2
133.04944	33.9
145.04939	48.9
150.07594	4.0
151.06100	2.2
163.05997	25.5
175.51549	2.2
189.09105	9.2
192.71864	2.0
223.06010	3.6
223.09407	7.1
224.09712	14.5
241.07092	5.8
259.08160	7.0
290.05182	2.2
345.99506	2.2
386.14828	5.9
387.16220	21.0
409.06949	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.8
57.07072	13.1
58.66837	1.3
61.02924	1.9
65.03938	5.8
67.05495	2.5
67.82929	1.0
68.24713	1.3
69.03422	5.4
70.06593	2.7
70.71955	2.5
72.08122	1.1
72.83811	1.1
73.06528	1.8
78.07587	1.2
79.05489	3.8
81.03418	3.3
81.07046	3.4
83.08626	4.0
85.02904	17.4
89.06022	67.2
91.05447	2.4
97.02869	4.8
101.09658	11.4
103.05452	1.3
105.07016	2.3
107.07053	2.1
109.02879	1.5
109.10146	1.7
109.34401	1.2
110.03641	2.5
111.04414	1.3
117.07008	2.4
121.06485	1.4
122.03600	1.7
125.06042	1.4
125.06969	1.3
127.03979	1.7
129.06981	1.8
131.04933	1.8
133.06526	1.6
133.08597	24.6
137.05975	12.7
138.03175	1.5
145.04927	2.5
145.06454	1.9
145.12202	15.2
151.03886	3.3
151.07657	1.7
151.09648	27.4
153.05452	2.4
161.05972	2.7
165.09053	1.6
167.07027	2.9
171.06537	3.7
173.06065	2.1
175.07616	1.5
178.06297	1.5
181.04933	71.7
187.07634	1.2
191.07083	1.5
193.10489	1.3
197.12936	1.7
207.15886	100.0
208.16301	3.8
233.08052	1.7
235.07474	1.6
263.07062	1.8
295.09665	1.3
386.15283	11.5
387.14282	6.1
387.19363	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	54.6
67.05511	100.0
67.44579	17.4
69.07054	34.6
69.98177	19.8
70.55367	41.0
79.05479	46.2
81.07038	88.4
91.05440	40.8
93.07015	40.8
95.08603	29.8
105.07005	30.4
107.08578	52.0
109.10158	48.1
125.47375	18.5
131.08614	27.4
133.10141	32.5
135.11665	25.6
136.68607	23.6
141.49159	20.2
147.11719	18.5
152.53467	19.5
157.12253	26.3
213.97867	23.8
241.19838	19.4
274.06335	23.7
277.21613	38.7
351.24942	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.29
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63257	31.9
57.03431	39.3
57.07046	38.7
67.05492	96.7
70.09419	62.9
70.33557	36.2
79.05478	100.0
81.07050	85.2
90.69483	37.7
91.05481	81.9
93.07039	87.6
95.04982	38.8
95.08609	56.6
107.08584	52.0
119.08561	45.0
159.11702	33.5
269.17413	45.8
368.27957	78.4
386.28503	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	387.107
Annotation	(-)-DCA-CC
Peak:m/z	Relative Intensity
51.02373	0.9
53.08459	0.7
53.87859	0.6
55.01853	4.1
59.72461	0.7
65.26118	0.6
67.05479	1.9
68.99761	1.1
69.03402	1.1
69.26482	4.1
77.03903	1.2
79.05478	0.7
81.03412	1.4
83.04961	2.0
91.05464	5.1
93.03363	0.7
95.04953	4.0
97.02859	0.8
103.05421	1.2
105.03337	1.6
105.04494	0.7
105.07018	2.3
107.04943	2.1
109.02847	1.2
109.06454	1.1
111.04424	9.4
115.05396	1.3
117.06957	0.8
117.13662	0.8
119.04918	10.8
121.02858	4.8
121.06490	0.8
121.44148	0.7
123.04406	100.0
124.04726	1.9
131.04883	1.8
133.06483	3.1
135.04401	1.4
137.02325	3.1
137.05962	7.9
139.03862	1.0
143.04904	2.1
145.06451	1.7
147.04381	49.4
148.04761	1.7
151.03842	4.3
151.07513	1.2
153.05412	1.6
161.05949	11.6
163.03877	7.6
163.07544	0.9
165.04071	1.3
165.05447	23.6
165.06786	1.5
166.05878	0.9
167.06990	2.3
173.05908	1.6
175.03877	47.6
176.04433	2.1
177.05446	10.2
179.07016	3.2
181.04871	2.7
187.03874	2.9
189.05432	23.7
190.05817	1.5
191.07037	4.3
193.04933	2.1
201.05431	2.2
203.06984	1.3
205.04930	11.1
207.06479	20.3
207.08453	1.0
217.04929	6.5
218.05280	1.2
219.06503	4.4
231.06627	1.0
235.05966	63.5
236.06274	3.3
247.05916	3.5
249.07512	1.8
265.06979	1.3
309.07379	2.9
327.08560	76.0
328.08856	5.7
341.10165	3.1
351.08530	3.4
359.11133	1.4
369.09570	5.8
387.10233	3.4
387.15042	2.2
388.09729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.107
Annotation	5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
51.36556	0.9
53.39716	1.0
53.60795	1.0
53.61069	0.8
54.37592	0.8
55.01860	1.5
65.03914	2.0
67.05489	1.2
69.84183	2.8
76.34064	0.9
77.03905	1.9
79.05460	2.3
80.16909	0.8
81.07033	1.3
89.03911	2.0
89.27688	0.9
91.05466	9.7
93.07027	2.9
95.04957	11.4
98.22604	0.9
99.38409	1.0
102.04664	4.5
103.05453	10.5
105.03337	1.1
105.07021	3.0
107.04940	5.2
115.05449	1.4
117.03334	2.1
119.04916	9.2
119.15450	0.9
120.02012	3.0
121.06486	6.2
121.10091	1.1
122.03615	2.1
123.04432	12.4
124.05176	4.0
125.05986	1.2
130.04169	7.2
131.04916	29.5
132.05681	1.3
133.02849	6.8
133.06485	1.3
134.03667	1.2
135.03471	1.1
135.04408	12.3
137.05956	21.4
145.06470	5.0
146.03625	1.7
147.00734	3.0
147.04390	14.6
148.01527	3.2
148.05144	1.9
149.02315	5.9
149.05960	7.1
150.06734	15.1
151.03879	3.8
151.07468	1.9
152.08266	1.0
153.05382	2.3
161.02315	6.5
161.05983	4.5
162.03096	2.2
162.06752	11.8
163.03896	10.4
163.07573	5.6
164.04616	1.2
165.01740	2.3
165.05412	1.6
166.02615	1.2
167.06975	2.4
175.07629	0.9
177.05356	1.2
178.02512	1.1
179.03374	24.5
179.07001	2.0
180.03868	0.9
180.07748	3.2
181.04935	4.6
190.02545	1.7
191.03329	2.3
191.06976	3.8
192.04065	1.5
193.04930	2.7
194.02063	2.1
205.04948	5.6
207.02858	33.1
208.03307	1.6
209.04411	18.0
218.02092	3.2
219.02841	3.9
221.04257	4.5
221.06155	1.7
223.05943	1.3
233.04332	8.3
235.05878	1.3
245.04517	6.3
249.05531	2.3
263.02713	1.3
263.05472	19.5
277.05020	1.5
281.07822	1.2
309.07346	1.3
328.10941	1.1
337.06937	7.2
357.09570	2.8
357.13284	2.4
369.09668	3.1
387.10614	100.0
388.11014	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	387.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
55.01866	1.3
64.52401	0.6
65.03928	2.0
66.36129	0.6
69.98238	1.2
69.98576	1.4
77.03928	3.0
79.05484	1.8
89.03896	0.8
91.05466	9.7
92.43482	0.6
92.71910	0.8
93.03400	0.9
95.04958	11.8
101.19091	0.7
102.04673	25.2
103.04865	0.8
103.05467	13.7
105.03400	3.2
105.07013	6.4
107.04948	5.0
108.02127	0.6
109.02858	0.8
115.05448	5.5
117.07017	4.0
118.04133	1.6
119.04917	10.5
120.02074	3.9
121.06483	2.8
123.04411	10.3
124.05182	2.5
127.05408	0.7
129.25638	0.7
130.04140	39.8
131.04921	64.5
132.05643	2.9
133.02835	6.5
133.06467	7.1
135.04410	9.7
136.01500	1.1
137.05968	8.4
143.06015	0.9
145.06474	30.6
146.03625	3.3
146.06813	1.1
147.00766	2.0
147.04388	49.3
148.01569	4.9
148.05070	3.1
149.02344	3.6
149.05957	5.7
150.05595	1.2
150.06749	14.4
151.03906	3.2
151.07468	2.7
153.05606	0.7
155.06035	3.5
161.02322	4.9
161.05952	23.9
162.06743	100.0
163.03874	9.4
163.07471	9.7
165.01848	1.2
165.06932	3.9
166.02592	1.1
167.06984	0.8
177.01855	0.7
177.06920	0.8
179.03377	14.3
179.04974	0.9
179.06943	2.1
180.04033	0.8
180.07797	2.7
181.04924	1.6
181.06454	1.2
181.08429	0.7
182.07307	0.8
182.33913	0.8
187.03877	0.9
187.07457	0.8
189.01723	0.7
191.03421	1.6
192.04095	1.2
193.06476	2.6
193.08553	0.8
194.02065	1.3
194.07205	1.2
201.05415	0.6
204.04140	0.9
205.04829	1.5
205.06573	1.0
207.02847	24.0
207.07967	0.8
208.03412	1.5
209.04414	13.2
209.06247	0.9
210.04822	0.9
210.06729	2.8
217.08659	0.9
220.05293	1.2
221.06042	10.3
222.06633	2.6
223.05881	1.1
229.04941	2.9
235.07483	1.2
237.05399	2.2
238.06229	3.4
249.05423	7.5
250.06169	4.7
252.04358	1.1
253.08626	2.4
263.05463	2.7
265.05045	0.9
266.05737	6.1
277.04919	5.1
278.05603	1.2
281.08109	2.0
291.06271	0.8
294.05121	2.9
309.07471	2.8
322.04630	2.2
337.07013	84.9
338.07431	5.7
354.07474	0.7
357.09686	5.3
369.05371	1.2
369.09641	12.4
387.10626	26.3
388.10886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97610	5.1
61.34342	6.0
61.58016	5.3
69.98579	9.4
73.52856	5.1
74.02428	21.9
81.04496	6.6
85.02874	10.6
86.55515	7.1
88.03970	5.9
92.31644	5.9
97.02850	7.6
98.97572	12.2
110.06029	100.0
134.06004	8.0
146.05988	66.6
158.06006	7.1
167.06963	5.8
175.11949	6.6
179.08159	12.0
188.07100	11.9
190.05002	9.4
209.01071	6.7
223.04161	15.3
225.08766	39.3
237.00731	16.4
255.01805	9.9
255.74092	7.6
317.41422	6.3
387.06503	8.3
387.16196	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	387.1419
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
55.01847	0.7
55.05489	0.7
65.03944	1.0
67.05487	2.2
69.03420	1.1
69.07070	0.7
69.68761	0.5
75.59537	0.5
79.05475	2.3
81.03393	0.6
81.07035	2.2
85.02879	1.6
86.09686	0.6
91.05457	2.1
93.07021	1.4
94.04182	2.4
95.04945	1.1
95.08611	1.5
97.06563	0.6
103.05392	0.6
105.07010	2.0
107.04984	1.0
107.08578	0.9
109.06557	0.8
109.10124	1.2
115.05472	1.3
115.26456	0.7
117.07006	1.8
119.08562	0.9
121.10151	0.8
122.03632	7.7
123.04408	2.0
123.08057	1.1
125.05968	1.1
131.04927	0.7
133.10110	0.8
137.05963	100.0
138.06287	3.2
143.04892	3.5
145.06465	2.0
145.10110	0.6
147.11667	0.7
151.03934	3.0
151.07553	1.4
153.05411	0.7
155.05989	0.7
161.05943	1.1
163.03897	1.0
163.07480	1.1
167.07018	8.8
171.06511	1.2
172.94293	0.5
173.05939	2.7
175.03877	0.7
175.07503	1.2
177.09108	1.5
181.04936	11.5
182.29536	0.5
189.12811	1.1
201.16386	1.0
203.07004	1.6
205.08659	1.8
207.13799	1.1
233.07977	1.4
235.09657	1.9
237.18481	1.4
256.72116	0.6
282.69138	0.5
357.13297	11.5
358.13547	0.8
369.13275	0.6
377.40637	0.6
387.14206	39.7
387.19696	3.5
388.14532	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	387.143
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.55287	1.4
51.99108	1.5
53.03958	1.8
55.01876	3.9
64.51659	1.6
65.03943	6.6
67.05495	6.6
68.99774	1.6
69.03445	2.5
72.08134	1.8
79.05495	5.5
81.03410	4.3
85.02897	4.0
86.09687	1.6
91.05479	5.7
91.11267	1.6
93.07035	2.7
94.04174	5.5
95.04974	5.8
97.06529	5.6
103.05453	36.5
105.04509	2.3
105.07040	4.1
105.83337	1.6
107.04931	8.4
108.02078	2.4
111.04452	2.2
115.05471	5.5
117.07034	6.2
118.04118	9.3
119.04939	2.6
121.06545	3.6
122.03650	10.3
123.04416	2.2
125.05994	2.6
129.06960	2.3
130.04141	3.9
131.04910	35.1
133.02838	5.1
133.06490	6.0
135.04449	1.7
137.05959	100.0
138.03149	2.1
138.06322	2.2
143.04924	5.0
145.06487	5.6
146.03612	3.5
147.04364	2.5
148.05194	17.1
149.05995	2.5
151.03894	79.7
151.04999	7.6
153.05487	3.1
161.05974	6.2
163.03873	2.9
163.07538	33.9
165.05437	3.2
165.09084	1.7
167.07027	24.6
171.06523	5.9
173.06013	4.9
175.07593	4.9
176.04710	4.0
177.05490	2.7
179.06918	1.7
181.03310	3.1
181.04938	62.0
182.05313	1.9
187.07510	4.2
191.07014	97.6
192.07443	3.4
193.08702	3.0
203.07028	3.8
205.08600	3.8
207.10170	2.8
209.08127	4.1
233.08051	4.8
235.07516	4.2
235.09647	3.7
241.08688	1.9
263.06897	2.4
263.09265	2.3
265.08527	2.7
267.10147	2.8
277.08493	3.5
295.09744	1.8
307.09677	2.5
309.11282	2.1
325.10602	3.0
327.12128	3.9
351.12433	3.8
355.11765	5.8
357.13400	14.7
369.13443	4.3
387.14343	39.5
387.26270	1.9
388.14471	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	387.1434
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
51.02380	0.8
53.03933	0.7
55.01854	1.6
55.05495	1.0
65.03933	7.5
67.05499	6.0
69.03418	1.6
69.07054	1.5
70.06583	3.0
71.04982	0.7
72.08125	0.6
72.99510	0.5
77.03906	0.8
79.05491	4.3
81.03387	1.7
81.07027	3.0
82.04173	3.7
83.04955	0.8
84.04501	1.4
84.08147	0.7
85.02890	5.0
86.09693	20.7
87.23047	0.6
91.05462	4.3
93.03378	1.8
93.07024	1.6
94.04153	1.8
95.04955	4.3
95.08585	1.3
97.06498	2.5
101.07103	0.7
101.20825	0.5
103.05452	12.5
104.74027	0.5
105.03412	0.8
105.04454	1.0
105.07026	3.6
107.04937	4.2
107.08580	1.8
108.02072	2.5
109.06481	1.4
109.10132	1.6
110.03664	3.6
111.04407	2.2
112.08713	0.9
115.05430	4.5
116.39731	0.5
117.06992	2.4
118.04183	3.4
119.04925	1.1
119.08588	0.8
121.03964	0.9
121.06482	1.0
121.10107	0.6
122.03645	3.9
123.04485	1.3
124.05151	0.8
125.05939	1.7
129.06947	0.8
130.04141	1.5
131.04913	10.2
132.05663	0.6
133.02844	1.6
133.06488	3.2
133.10114	0.8
135.08014	1.6
135.11726	0.8
137.05957	41.9
138.03130	1.9
138.06303	1.0
141.05418	1.3
143.04913	1.8
145.06470	3.0
146.03627	1.0
146.11694	4.8
147.04405	0.8
147.07986	0.7
147.65482	0.6
148.05171	6.3
149.05922	1.7
149.13094	0.7
151.03893	27.1
151.04994	2.8
151.07547	0.5
152.04337	0.7
153.05440	4.8
155.05923	1.0
157.06319	0.8
160.05153	0.9
161.05966	4.5
161.09558	1.0
163.07541	10.2
165.05524	1.2
165.09073	0.9
167.07040	8.3
167.08434	0.7
170.70514	0.6
171.06505	7.0
173.05943	2.9
174.06662	0.8
175.07520	2.6
176.04680	1.6
177.05408	1.0
178.06244	2.0
181.04927	100.0
182.05276	2.6
184.05096	0.6
187.07520	1.3
189.09140	1.2
191.07004	37.4
192.07350	1.1
193.08530	1.6
203.05275	0.7
203.06844	2.8
205.08557	1.9
206.07224	0.6
207.08083	1.0
209.08008	1.4
215.06926	0.8
215.13879	0.7
217.08487	1.0
220.05038	0.8
222.06633	0.8
223.07390	0.6
233.05898	0.9
233.08031	2.4
234.06680	1.2
235.07564	2.8
235.09445	1.0
237.09041	0.8
242.14944	1.1
249.09186	0.7
251.07010	1.1
252.07736	1.1
259.20218	1.2
263.06866	2.9
263.09274	0.9
264.07596	1.3
265.08667	1.9
267.10068	2.4
268.10086	0.7
277.08585	1.2
279.06427	0.8
279.09927	0.7
280.07446	0.7
295.09702	3.1
297.11038	0.9
299.09146	0.7
305.08109	0.6
307.09546	1.4
309.10858	1.1
317.08200	0.7
325.10641	1.6
327.12302	1.3
337.10553	1.0
339.12201	1.0
343.05807	0.7
351.12262	1.4
355.11795	3.0
357.13223	2.7
369.13211	2.0
387.14331	13.9
387.19467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
51.70070	0.5
53.03951	0.7
55.01857	0.9
65.03934	2.0
67.05501	1.0
70.01973	1.7
77.03913	0.8
79.05478	2.1
81.03400	1.1
82.04134	0.8
85.02887	2.3
91.05476	2.9
94.04187	4.4
94.04710	0.9
95.04951	1.7
98.23441	1.2
102.04720	0.7
103.05463	14.5
105.03350	0.9
105.04465	0.7
105.07028	1.8
107.04942	2.7
108.02082	1.1
109.06498	0.9
110.03661	0.7
111.04433	0.7
115.05457	4.0
117.06992	2.3
118.04160	3.9
119.04939	1.1
121.06395	1.0
122.03635	8.4
123.04400	1.1
125.05952	0.9
130.04138	1.1
131.04933	14.4
132.05724	0.9
133.02843	1.7
133.06476	2.3
135.08040	1.4
137.05966	100.0
138.06310	2.5
141.05435	1.4
143.04900	3.3
145.06435	3.1
146.03613	0.9
147.04359	0.8
148.05180	8.7
149.05946	0.9
151.03900	36.3
151.05005	3.1
153.05418	2.2
155.06013	1.0
161.05939	1.3
163.07535	15.1
165.05380	0.8
167.07014	13.6
171.06499	1.4
173.06003	4.0
175.07549	2.0
176.04689	1.7
181.04947	27.0
187.07516	1.3
191.07014	47.2
192.07364	1.8
193.08568	0.7
203.07016	1.9
205.06659	0.8
205.08585	2.3
209.08099	1.3
233.08086	1.5
235.09627	2.5
249.09239	0.8
263.09155	1.0
268.25974	0.6
276.07794	0.7
279.10156	0.9
293.08011	0.7
295.09531	0.9
304.52145	0.6
325.10782	1.0
327.12292	1.1
337.10715	0.7
348.87061	0.6
351.12189	1.4
355.11731	2.1
357.13263	8.9
358.13754	1.0
369.13229	0.7
387.14325	19.1
388.14627	2.2
395.47440	0.6
400.49683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
51.02367	1.9
53.03952	1.8
55.01855	4.2
62.70168	1.8
63.42326	1.6
65.03931	28.1
67.05501	6.7
71.42020	1.7
79.05481	2.3
82.04183	6.6
82.47114	1.8
85.02900	5.0
91.05476	6.1
92.47514	1.8
92.90187	1.6
93.03402	8.8
95.01343	3.1
95.04957	8.9
105.03384	1.8
105.04492	1.7
105.07022	3.8
107.04931	7.7
108.02061	4.2
110.03633	15.7
111.04444	23.9
115.05450	5.3
116.06187	2.3
117.07033	3.5
121.02855	34.5
121.06438	2.0
122.03625	5.2
123.04443	3.7
125.05979	16.8
125.38322	1.9
128.06177	2.1
129.06976	3.4
131.04878	4.9
133.06502	2.3
135.04401	2.4
137.05963	42.7
138.03079	2.8
144.05663	3.2
145.06416	5.5
146.07292	3.5
147.04402	2.4
147.08038	2.6
149.02437	2.0
151.03897	7.0
152.06184	2.2
153.05449	53.1
159.08049	16.5
161.05945	3.8
165.06970	4.6
166.07796	1.9
167.07048	9.1
167.08481	3.7
171.06430	3.8
173.05974	3.0
174.06767	2.7
175.07515	4.4
178.07721	5.3
179.08546	5.3
181.04971	43.3
181.06448	8.0
182.05365	2.8
182.07242	7.4
183.06470	3.5
183.07974	2.5
187.07501	12.8
189.05353	2.3
189.06960	3.0
190.07861	3.7
191.08546	5.3
193.06529	3.2
193.08586	4.9
193.10181	1.9
194.07211	5.8
195.08012	10.9
196.08871	2.3
197.05923	2.7
197.09625	3.7
199.07500	4.1
202.07808	1.9
205.06480	3.9
206.07315	2.2
207.08055	7.4
208.08749	7.4
209.06004	3.4
209.09557	4.2
210.06747	6.8
211.07484	6.8
212.08217	2.5
213.09111	2.1
217.08553	14.5
218.07291	4.0
219.08012	9.7
220.08894	5.5
221.05951	6.2
221.09731	2.8
222.06720	4.0
223.07465	10.9
224.08284	6.0
225.09096	6.6
226.06296	9.3
227.06989	4.2
233.05975	3.1
234.06630	3.4
235.07501	10.3
236.08206	13.2
237.09052	7.4
238.06197	5.0
238.09766	2.3
239.06908	12.9
239.10696	4.2
240.07747	5.4
241.08609	2.2
247.07446	4.0
247.09663	10.1
248.07968	3.7
249.05475	3.1
249.09009	3.6
250.06233	2.1
250.09853	3.0
251.07004	6.4
251.10703	10.7
252.07690	4.1
253.08542	32.9
254.09285	9.1
255.06616	2.8
255.10156	2.5
263.06979	4.7
264.07895	6.7
265.08475	8.7
266.09241	3.2
267.10089	7.3
268.07242	2.7
269.07843	2.7
269.11652	12.7
270.08817	3.9
271.09558	3.1
279.10132	7.9
281.08084	9.6
282.08804	7.0
283.09518	9.2
293.08057	2.8
294.08868	4.0
295.09625	7.4
296.10294	3.6
297.11115	18.5
298.08249	2.8
298.11566	2.6
299.09259	2.1
299.12610	3.0
307.09991	3.3
309.11176	2.3
311.09308	2.0
311.12668	7.4
312.09698	2.4
313.10678	10.6
325.10648	74.6
326.11093	9.6
327.12213	5.4
329.13879	34.4
330.13901	3.1
337.10596	3.8
339.12106	2.6
342.10950	4.4
355.11600	4.2
357.13266	100.0
358.13580	6.9
369.13382	3.4
387.14545	10.7
387.19171	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	387.1434
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03925	0.8
55.01854	1.3
65.03924	3.1
66.04707	0.7
67.05483	2.0
67.96536	0.8
71.17625	1.2
75.67350	0.6
77.03899	1.1
79.05479	2.2
81.03372	0.9
81.07079	0.8
85.02875	1.6
91.05476	2.7
93.03405	0.8
94.04160	2.8
95.04932	2.2
102.04646	1.0
103.05459	18.2
105.03349	1.4
105.04488	0.9
105.07001	1.8
107.04946	2.8
108.02066	0.9
109.06480	0.8
110.03642	0.8
115.05433	3.6
117.07008	3.0
118.04160	3.9
119.04942	1.1
121.06513	0.9
122.03635	9.0
130.04070	1.7
131.04918	13.2
132.05676	1.5
133.02831	1.9
133.06476	2.3
135.08055	1.1
137.05957	100.0
138.06320	2.6
141.05457	1.0
143.04903	2.1
145.06490	3.6
146.03610	1.1
147.04422	1.1
148.05164	9.7
149.05920	1.1
151.03888	37.8
151.04994	4.3
152.04207	1.3
153.05455	2.3
155.06070	1.6
161.05896	1.6
163.07518	16.0
165.05507	0.8
167.07031	13.2
171.06522	1.5
173.05975	3.3
175.07520	1.3
176.04597	1.2
177.05479	0.9
179.06995	0.8
181.04927	26.8
182.05295	1.0
187.07562	0.8
191.07001	49.5
192.07343	1.5
203.07072	2.5
205.06743	0.8
205.08592	2.3
209.08046	1.9
217.08650	0.8
233.08057	1.7
235.09654	3.1
245.07907	0.8
263.09195	1.0
341.02301	0.7
355.11728	0.9
357.13245	9.9
369.13086	1.0
387.14297	23.6
388.14804	1.6
398.91440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03952	0.8
55.01848	1.5
59.96132	0.8
64.96920	0.7
65.03920	3.0
67.05492	2.4
69.20806	1.6
69.21212	2.5
69.53300	0.7
79.05483	2.6
81.03415	1.1
81.07059	1.1
84.30793	0.6
85.02875	1.4
91.05461	2.5
93.03384	1.2
94.04164	3.5
95.04946	2.3
95.64087	0.9
98.23553	1.5
103.05450	11.6
105.03388	1.5
105.07000	1.4
107.04967	1.3
108.02069	1.3
109.06509	0.9
110.03651	1.1
111.04392	1.0
112.93073	0.7
115.05427	3.9
117.07001	2.0
118.04134	3.0
119.04943	1.0
121.06470	0.7
122.03622	8.2
123.04411	1.2
130.04141	1.3
131.04904	11.0
133.02847	2.0
133.06476	2.7
133.81964	0.8
137.05956	100.0
138.03085	0.8
138.06276	2.9
143.04910	3.9
144.05525	0.8
145.06442	3.1
147.04425	0.9
148.05159	7.2
149.05980	1.1
151.03888	29.2
151.04976	2.6
152.04251	0.8
161.05914	1.2
163.07539	12.2
165.05458	0.8
167.07024	11.4
168.07326	0.8
171.04260	0.9
171.06526	2.2
173.05925	4.2
175.07530	2.1
176.04697	0.8
181.04935	24.9
182.05197	1.0
191.07002	41.3
192.07376	1.3
203.07008	2.2
205.08530	2.8
207.10110	1.0
209.08017	1.0
233.08043	1.9
235.09578	2.0
263.09027	0.8
291.10349	0.8
305.08307	0.9
337.10751	1.5
351.12473	0.9
355.11679	2.7
357.13287	10.4
358.13693	1.0
387.14233	22.5
388.14691	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55386	0.6
58.48715	0.7
61.02896	0.6
66.80218	0.7
69.03387	1.7
71.04963	0.7
71.44991	0.7
72.08125	1.0
79.27914	0.7
81.03374	0.8
81.06998	1.0
85.02846	2.9
86.09683	1.5
89.52659	0.8
95.08561	1.0
97.02857	1.2
99.04440	10.0
107.08549	0.9
109.06425	0.9
121.10101	0.8
123.04425	1.1
123.08079	0.9
127.03847	0.7
130.26491	0.6
130.28554	0.7
133.64453	0.8
137.05966	1.0
145.10100	0.8
151.07428	1.0
163.03816	0.8
163.10957	8.8
165.08945	0.8
167.07054	0.9
168.82715	0.7
181.12161	0.9
184.44470	0.7
185.04189	2.8
189.12579	0.9
203.05212	2.8
207.09909	3.7
207.13818	1.7
225.10938	100.0
226.11279	3.9
241.90929	0.8
325.16385	1.1
369.14963	0.9
369.19193	0.8
387.16232	86.2
388.16571	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	387.162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39414	0.8
53.67632	0.8
56.96575	1.0
69.03450	0.8
69.59807	3.0
70.06581	1.0
73.02903	1.4
79.00972	0.7
83.13700	0.8
85.02901	2.7
86.09719	1.3
90.58805	0.7
97.02888	1.1
98.18942	0.9
99.04408	1.0
115.03922	0.8
115.50368	0.7
119.08563	1.0
123.04412	6.4
123.76245	0.9
130.83403	0.9
149.09642	0.9
160.05090	1.0
161.05882	2.4
162.06325	1.5
163.11063	0.8
167.07051	3.8
185.04192	9.0
188.54993	0.8
189.09138	3.6
190.09404	8.0
203.05267	1.0
207.10016	2.2
207.13715	1.2
225.10934	79.0
226.11261	3.6
231.32971	0.9
258.50021	0.8
299.02191	1.4
327.01825	1.7
345.02887	1.9
352.14838	2.5
363.03918	1.7
363.80255	0.9
387.16254	100.0
388.16577	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	387.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.7
56.96572	0.9
61.02893	0.7
67.05483	1.0
69.03419	3.7
69.39023	0.7
69.39313	3.7
70.06587	1.5
77.58598	0.8
79.05488	1.2
81.03410	0.9
81.07055	1.9
83.04984	1.2
85.02891	5.2
86.09664	1.2
89.06022	2.7
91.05479	1.3
95.04980	1.2
95.08611	3.7
97.02880	2.5
99.04449	2.4
103.05460	0.9
105.07022	2.9
107.04999	1.1
107.08582	1.9
109.06525	1.1
109.10155	1.4
116.31457	0.8
119.08580	3.0
121.06431	0.9
121.10164	2.5
123.04411	5.1
123.08026	0.9
123.11671	1.3
127.03915	1.6
131.04883	0.8
133.06441	0.9
133.08534	1.3
133.10126	2.2
135.11702	3.3
137.05933	1.8
137.09607	1.3
145.04967	1.1
147.04387	1.7
147.11674	1.9
149.05946	1.1
149.09604	2.1
151.03880	0.8
151.07520	1.0
161.05893	0.9
161.09630	0.9
161.13254	5.1
165.05402	0.8
177.11371	0.9
181.05035	0.8
181.12079	0.9
185.04294	1.0
189.05412	1.9
189.09134	3.0
189.12730	5.3
203.05240	1.3
204.95644	0.9
207.10039	6.2
207.11794	0.8
207.12114	0.9
207.13747	5.2
225.10944	92.8
226.11307	3.3
252.60211	0.8
329.12006	2.5
387.16199	100.0
388.16516	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82249	0.6
72.08145	0.7
83.13689	0.4
86.09701	1.1
107.25072	0.5
140.26768	0.4
151.06261	1.4
152.06573	0.9
167.07037	1.5
225.10869	2.4
259.83023	0.5
286.84326	0.5
324.39328	0.4
325.16409	0.7
387.16211	100.0
388.16595	6.3
404.09293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.7
56.96572	0.9
61.02893	0.7
67.05483	1.0
69.03419	3.7
69.39023	0.7
69.39313	3.7
70.06587	1.5
77.58598	0.8
79.05488	1.2
81.03410	0.9
81.07055	1.9
83.04984	1.2
85.02891	5.2
86.09664	1.2
89.06022	2.7
91.05479	1.3
95.04980	1.2
95.08611	3.7
97.02880	2.5
99.04449	2.4
103.05460	0.9
105.07022	2.9
107.04999	1.1
107.08582	1.9
109.06525	1.1
109.10155	1.4
116.31457	0.8
119.08580	3.0
121.06431	0.9
121.10164	2.5
123.04411	5.1
123.08026	0.9
123.11671	1.3
127.03915	1.6
131.04883	0.8
133.06441	0.9
133.08534	1.3
133.10126	2.2
135.11702	3.3
137.05933	1.8
137.09607	1.3
145.04967	1.1
147.04387	1.7
147.11674	1.9
149.05946	1.1
149.09604	2.1
151.03880	0.8
151.07520	1.0
161.05893	0.9
161.09630	0.9
161.13254	5.1
165.05402	0.8
177.11371	0.9
181.05035	0.8
181.12079	0.9
185.04294	1.0
189.05412	1.9
189.09134	3.0
189.12730	5.3
203.05240	1.3
204.95644	0.9
207.10039	6.2
207.11794	0.8
207.12114	0.9
207.13747	5.2
225.10944	92.8
226.11307	3.3
252.60211	0.8
329.12006	2.5
387.16199	100.0
388.16516	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03933	2.1
54.61886	0.6
54.72969	0.8
55.05505	1.6
55.24114	0.8
57.03425	2.9
57.07059	1.0
58.06585	0.8
61.02910	2.7
63.58699	0.8
67.05486	2.6
67.17970	0.7
69.03065	1.1
69.03423	20.2
69.07047	1.5
69.11352	5.0
70.06572	1.2
71.04987	2.2
72.08141	2.3
73.02906	3.1
79.05477	3.0
81.03404	7.6
81.07042	11.8
83.04960	1.3
84.08142	1.0
85.02895	100.0
86.03215	1.4
86.09686	3.4
87.04449	1.8
91.05463	2.1
93.07047	1.6
95.04965	1.3
95.08570	5.6
96.27271	0.9
97.02870	3.3
97.06504	1.2
99.04440	3.3
105.07017	5.2
107.08566	2.6
109.02847	2.5
109.06490	5.7
109.10148	8.7
111.04443	1.0
115.05399	0.8
119.08566	4.0
121.06475	1.1
121.10107	3.3
123.08041	2.7
123.11691	48.0
124.12036	1.2
125.05976	58.0
126.06276	0.9
127.03896	4.1
129.10222	1.0
131.08546	1.1
133.10104	1.2
135.08026	0.9
135.11690	1.3
137.05959	2.6
137.09566	2.1
138.73157	0.7
139.07518	10.8
145.04915	1.2
145.10110	3.3
147.07986	1.8
147.11650	5.2
149.05988	2.6
149.09566	4.1
151.07520	5.0
156.09331	1.7
161.13228	3.1
163.11131	1.3
165.09084	1.0
165.12776	0.9
167.07011	1.2
169.08607	0.9
171.11731	1.2
179.38101	0.8
181.04927	1.1
182.99081	0.7
189.12723	9.6
191.10649	2.6
192.55905	0.8
207.13774	34.7
208.14099	1.9
225.02097	0.9
225.14821	80.0
226.14998	3.8
333.16910	3.3
351.17886	4.2
369.19104	2.1
387.15237	3.3
387.20056	54.5
388.20364	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	387.201
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
57.43258	9.0
59.14256	9.3
65.38478	8.5
66.43501	8.8
67.05495	14.7
69.03411	18.7
69.29750	34.1
69.30158	19.4
70.06556	12.7
72.08134	8.4
85.02894	54.7
86.09700	32.5
90.72134	8.8
95.08609	46.3
109.10162	14.5
119.08589	14.0
123.08009	20.2
123.11734	46.5
149.09644	18.3
172.23317	10.0
189.12770	18.9
207.13771	47.0
225.10963	48.9
225.14862	24.6
351.17947	15.3
387.15872	100.0
387.20105	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	387.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01868	2.8
55.05259	2.0
55.05504	29.4
55.97809	1.3
57.03426	13.4
57.07066	2.4
57.92175	1.3
59.04992	1.6
63.99313	1.5
65.03922	5.9
67.05494	100.0
68.05846	2.4
69.03442	2.2
69.07060	32.9
69.77723	1.4
70.06571	8.8
71.04972	14.8
72.39320	1.3
73.06538	1.7
74.06057	2.3
79.05482	47.9
79.67380	1.3
81.03374	1.7
81.07045	65.1
82.07365	1.6
83.04980	7.2
83.08607	13.7
83.58971	1.4
84.08124	1.6
85.06526	7.8
91.05471	23.3
93.07036	57.3
95.04946	8.1
95.08593	54.6
97.06501	9.5
97.10172	14.5
99.04419	2.1
99.08074	5.4
105.07014	15.3
107.08577	29.1
109.06530	2.6
109.10139	32.1
110.10465	1.6
110.58723	1.6
111.08083	3.4
111.11690	1.9
115.05429	1.4
117.06972	4.5
119.08543	11.3
121.06494	2.3
121.10123	36.0
123.08040	2.4
123.11680	4.3
125.09606	6.5
129.06937	3.1
131.08537	9.4
133.10126	13.5
135.08054	1.7
135.11670	19.6
137.05952	7.3
137.09596	3.1
139.11156	11.8
143.08499	1.8
145.10120	4.3
147.11656	7.3
149.09564	3.5
149.13251	8.5
151.07596	1.7
155.10635	1.8
159.11668	5.5
161.13223	4.5
163.14790	2.4
167.07028	2.3
171.11649	3.1
173.06197	1.4
173.11760	8.9
173.13152	2.4
174.16319	1.6
175.14842	3.3
177.12755	2.5
181.04987	7.9
181.12245	2.2
185.13232	2.6
187.13293	1.9
189.11174	4.1
195.13849	2.8
201.14795	2.0
203.12700	7.2
229.14217	2.5
235.17181	1.8
241.19550	4.2
257.69083	1.4
259.20432	9.8
277.21561	19.7
295.22659	2.1
338.04913	1.5
351.25223	4.4
357.13217	2.2
369.26160	6.5
387.10287	1.9
387.14590	1.8
387.19629	1.7
387.27209	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	388.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
57.03427	0.7
67.05489	0.6
69.03432	2.0
69.07061	0.6
69.59712	1.7
70.21480	0.4
71.04983	15.3
72.08154	2.0
73.02926	0.5
81.03420	3.4
84.08117	0.7
85.02888	2.5
85.35653	0.4
86.09697	3.1
89.06030	0.8
95.04936	0.7
97.02879	6.4
99.04443	100.0
100.04791	1.6
105.11940	0.4
109.02859	2.1
117.05479	13.7
127.03902	2.0
136.07545	0.5
145.04938	3.3
155.51195	0.4
160.05302	0.4
171.06543	1.1
182.08287	0.5
201.37398	0.4
219.06915	0.4
225.10985	0.4
226.11353	1.1
243.08560	2.1
261.09647	0.7
388.16916	3.9
389.17972	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	388.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05523	0.8
55.18523	0.8
57.03434	0.9
58.26390	0.7
59.81183	0.7
61.02920	1.0
62.46941	0.7
69.03418	3.4
69.46476	3.8
74.94278	0.7
79.05509	1.2
81.03408	1.7
81.07050	2.5
85.02896	11.4
91.05473	1.4
93.07054	1.6
95.04942	1.5
95.31921	0.9
97.02865	2.6
103.03953	0.9
103.05461	2.2
107.04932	3.6
107.08575	1.3
109.02878	1.8
121.06483	8.8
122.91230	0.8
123.04409	6.9
127.03930	1.8
130.34343	0.8
131.04890	4.8
135.08034	1.8
137.06149	0.9
137.09628	0.8
145.06506	1.6
147.04381	2.1
149.05956	70.7
150.06322	2.4
159.05540	2.9
161.05925	1.6
162.06738	2.4
163.07518	3.2
163.11212	1.8
173.06010	2.7
173.09692	0.8
176.08287	1.3
191.10640	100.0
192.10992	3.2
215.10680	7.1
227.10635	2.9
229.12236	1.4
233.11659	2.3
239.10637	1.8
257.11661	6.8
280.64392	0.9
299.12833	0.8
313.03058	0.8
317.13855	1.9
389.17813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32034	0.6
56.96552	0.6
69.03397	0.7
69.84457	0.6
73.03004	0.5
73.06541	1.8
81.07021	0.8
83.69402	0.5
85.02889	1.1
86.09676	0.8
87.04454	4.4
89.06015	100.0
90.06348	1.9
96.16421	0.5
98.97582	1.8
107.07053	2.1
107.08544	0.5
116.98595	1.9
123.04397	0.9
127.03894	0.6
133.08582	59.4
134.08879	0.8
134.99605	0.6
137.05992	1.1
149.09625	0.7
163.07481	1.0
177.11183	20.7
178.11490	0.9
191.10657	1.2
191.14336	0.6
200.46037	0.6
209.15350	1.3
221.13849	3.0
225.10963	4.4
226.11227	5.6
239.14874	1.3
255.01767	1.5
265.16422	0.8
283.17532	2.5
327.20142	2.7
353.21964	0.7
371.18066	1.2
371.22684	17.8
372.23083	0.8
377.12289	0.5
388.16592	11.1
388.21008	1.1
389.05798	0.6
389.15604	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	388.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.6
60.04512	16.4
63.89566	7.5
67.05493	77.7
69.07046	22.9
70.72908	10.1
79.05480	23.3
81.07042	100.0
83.08574	13.2
91.05452	14.5
93.07027	32.2
95.08598	80.6
100.11237	27.1
105.07059	10.1
107.08595	17.2
109.10137	34.7
119.08552	12.4
121.10109	18.6
123.11678	12.3
131.04631	8.0
131.08530	16.9
135.11687	11.7
140.18599	7.2
145.10141	10.7
147.11670	10.1
148.08861	21.2
154.12265	7.4
158.84511	7.7
167.91621	7.4
173.13261	12.3
181.21393	7.7
202.09868	11.0
224.48491	9.2
227.00642	7.8
259.60056	7.2
261.21994	18.4
278.24741	51.3
279.23135	32.1
310.27545	39.0
314.22403	21.7
320.25861	35.9
346.24976	16.5
352.28333	10.7
353.28494	9.5
356.23550	70.2
388.25531	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	388.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90902	13.6
55.05506	39.0
67.03359	16.4
67.05497	100.0
69.07043	34.1
69.47881	62.1
79.05474	29.6
81.07038	95.3
83.08605	27.6
85.06539	16.2
88.07623	39.9
93.07050	42.8
95.08598	56.5
97.10124	18.7
98.23452	31.9
99.07639	15.8
105.07011	21.0
107.08594	36.9
109.10162	28.0
121.10135	19.0
124.76083	15.3
197.08070	26.9
198.08405	23.8
227.12860	15.6
249.45273	19.1
261.22089	24.2
279.23199	23.5
326.34018	18.3
353.26733	49.4
356.08020	15.0
388.34137	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
55.01867	42.0
65.03934	11.5
67.05499	4.6
69.03444	1.5
69.07022	1.0
69.17892	1.1
79.05486	3.6
82.04192	3.7
83.66661	1.0
85.02909	5.8
85.85977	1.0
91.05470	3.1
93.03418	1.8
93.07038	2.2
94.04137	1.9
95.04963	8.3
97.02863	1.3
97.06514	2.7
103.05457	17.7
105.04532	1.2
105.07017	2.3
107.04950	9.3
108.02106	1.7
109.06532	1.2
110.03623	5.0
111.04431	3.2
115.05477	1.5
117.07002	3.6
117.57812	1.0
119.04909	1.3
121.06495	5.6
122.03638	2.8
122.81791	0.9
123.04417	7.3
124.05199	1.9
125.05950	4.0
128.06206	3.3
128.92879	0.9
129.07008	10.9
131.04913	22.9
133.06467	1.9
134.03671	1.3
135.04512	1.3
135.08044	3.5
137.05952	37.7
138.03104	3.6
140.04675	1.2
141.06885	1.1
142.02611	1.7
145.06471	3.8
149.05960	9.4
151.03914	1.9
151.07584	1.4
153.05449	7.9
155.07028	2.9
157.06494	6.9
159.04378	2.0
160.05237	3.3
161.05948	3.3
163.07491	10.5
167.07022	21.6
171.06514	7.7
173.05942	1.1
174.06749	4.4
175.07501	13.6
177.05449	39.9
177.08971	1.2
178.05812	1.5
181.04936	100.0
182.05249	2.6
183.06522	3.7
185.05896	1.4
185.17880	1.0
187.07462	3.1
189.05415	1.4
189.07352	1.7
189.09085	11.7
191.06960	1.2
193.08447	1.2
205.08597	2.1
209.08058	57.7
210.08421	2.9
217.06572	1.9
217.08575	8.7
218.07164	2.4
219.08078	2.1
219.10172	3.5
221.07944	2.3
233.09578	1.0
234.06662	2.0
235.07506	1.7
235.09694	2.6
249.08957	4.6
261.09085	3.6
265.08582	1.9
277.08640	9.7
278.09302	1.9
279.10101	3.2
281.11777	1.9
289.08606	1.5
293.08221	2.1
293.11594	2.6
294.08664	1.7
306.09097	1.0
309.11090	4.2
311.12714	1.6
321.11221	4.1
325.10318	1.1
329.13766	2.8
339.12186	11.9
340.12756	2.2
341.13879	3.1
353.13849	1.4
356.45746	1.0
359.14764	3.2
371.10303	1.5
371.14639	11.1
372.15048	1.2
389.11716	1.7
389.15863	43.1
390.16211	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	389.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46902	1.2
67.05495	1.6
70.59099	1.7
79.05457	1.5
81.07047	2.1
83.08678	1.2
84.24723	1.4
85.02898	15.1
91.05431	1.7
95.04948	1.4
95.08600	1.8
105.03375	1.5
107.08593	2.3
109.10130	4.6
122.10934	1.3
123.00792	2.2
123.04418	1.5
123.11733	1.6
125.02325	3.4
133.02861	1.6
135.11754	1.8
137.05954	1.5
151.03894	1.6
153.01805	100.0
154.02144	3.2
171.02870	17.0
179.03354	3.8
179.07098	1.2
179.47340	1.3
181.01421	1.7
190.30318	1.2
193.01338	1.3
205.04964	3.7
207.02850	42.0
216.07558	1.6
235.02335	89.2
236.02698	4.9
260.49808	1.3
260.85635	1.3
260.88855	1.7
267.04910	3.4
277.07144	2.0
289.07071	2.8
301.07016	2.7
357.13242	3.7
389.15695	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	389.1594
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.48886	3.4
55.01869	30.5
61.16776	3.8
64.87085	3.7
65.03927	12.3
67.82618	3.6
69.38113	16.3
74.22282	3.7
79.05503	8.9
81.03417	4.4
85.02910	6.3
88.19843	3.7
91.05463	11.3
93.07058	5.3
94.04214	3.4
95.05001	12.0
98.22662	8.2
103.05475	25.4
105.07016	9.5
107.04988	6.7
108.16414	3.6
117.06988	5.0
119.04942	10.0
122.03632	4.6
123.04432	10.3
125.05984	5.0
129.07019	7.7
131.04913	28.1
131.08574	5.2
135.04517	3.9
137.05980	44.4
138.06317	9.9
140.04706	6.7
143.04979	4.0
145.06473	7.7
147.04430	5.8
149.05978	15.1
151.03932	13.4
151.07542	14.0
152.04228	8.6
153.05470	7.4
157.06528	10.7
161.05966	11.3
163.07536	12.2
167.07028	66.7
168.07349	5.5
171.06503	9.9
174.06737	5.9
175.07523	51.4
176.07950	5.0
177.05463	35.1
179.06964	6.8
180.07816	5.4
181.04933	100.0
181.08165	3.8
183.06548	10.7
188.65279	3.8
189.09065	10.8
191.06998	5.9
195.10187	14.7
205.08546	3.5
207.06352	4.7
209.08105	45.4
219.10129	23.2
234.06540	4.2
259.10812	4.1
261.09122	5.8
277.08542	9.6
295.09561	4.5
339.12125	8.3
357.13428	5.2
359.14615	3.9
371.14728	8.9
389.15979	27.7
389.24622	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	389.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42822	0.3
66.81231	0.3
70.50275	0.6
75.67088	0.3
84.58814	0.3
85.59795	0.3
86.09708	1.3
99.04423	0.6
104.37508	0.3
109.45902	0.3
137.05904	0.4
147.07979	0.4
178.97853	0.3
227.09172	0.4
227.12543	2.8
280.44711	0.3
355.27686	0.4
389.12439	5.4
389.17737	100.0
390.12958	0.4
390.18042	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	389.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89374	0.3
69.36814	1.5
86.09678	1.0
88.78166	0.3
89.90020	0.3
98.22694	0.6
110.59486	0.3
115.48882	0.3
131.69582	0.3
161.15164	0.3
168.80656	0.3
227.12462	0.7
301.12503	0.4
312.04684	0.3
371.16696	1.0
389.17749	100.0
390.13095	0.6
390.18088	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	389.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
57.04232	2.3
62.87304	2.3
66.85466	2.5
69.03445	4.3
69.07056	7.5
70.06597	4.1
71.04974	5.0
71.44183	2.8
72.08135	7.1
74.06055	3.5
79.05482	2.9
81.03450	3.1
81.07052	4.6
84.08142	5.5
85.02888	12.0
85.06549	2.9
86.09695	89.4
87.10030	2.7
91.05476	3.9
93.07043	9.3
95.04955	20.1
95.08594	3.8
97.02885	3.3
97.06519	6.5
99.04472	2.8
105.07034	7.5
107.08606	11.0
109.06493	12.1
109.10137	5.5
109.15265	2.4
115.07556	2.7
115.08704	6.2
116.07097	3.8
119.08605	4.7
121.10117	13.7
125.09616	3.4
127.03854	2.4
131.08559	4.8
133.10083	14.5
134.08162	6.5
143.08167	3.6
145.05005	3.0
147.11710	6.4
153.09125	5.2
163.14862	2.7
163.17860	2.7
167.17960	2.4
171.10156	5.0
173.13219	6.6
191.14409	9.9
209.15326	15.6
211.14426	3.4
212.96249	3.1
227.16357	21.8
229.15604	4.4
237.73949	2.5
247.16588	5.1
256.16513	2.4
389.17810	100.0
390.17981	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	389.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
57.04232	2.3
62.87304	2.3
66.85466	2.5
69.03445	4.3
69.07056	7.5
70.06597	4.1
71.04974	5.0
71.44183	2.8
72.08135	7.1
74.06055	3.5
79.05482	2.9
81.03450	3.1
81.07052	4.6
84.08142	5.5
85.02888	12.0
85.06549	2.9
86.09695	89.4
87.10030	2.7
91.05476	3.9
93.07043	9.3
95.04955	20.1
95.08594	3.8
97.02885	3.3
97.06519	6.5
99.04472	2.8
105.07034	7.5
107.08606	11.0
109.06493	12.1
109.10137	5.5
109.15265	2.4
115.07556	2.7
115.08704	6.2
116.07097	3.8
119.08605	4.7
121.10117	13.7
125.09616	3.4
127.03854	2.4
131.08559	4.8
133.10083	14.5
134.08162	6.5
143.08167	3.6
145.05005	3.0
147.11710	6.4
153.09125	5.2
163.14862	2.7
163.17860	2.7
167.17960	2.4
171.10156	5.0
173.13219	6.6
191.14409	9.9
209.15326	15.6
211.14426	3.4
212.96249	3.1
227.16357	21.8
229.15604	4.4
237.73949	2.5
247.16588	5.1
256.16513	2.4
389.17810	100.0
390.17981	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	389.2166
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.05483	10.3
61.76042	9.5
63.04949	9.7
67.05493	16.8
68.12592	9.2
69.03438	10.7
69.07051	11.2
69.18898	14.5
69.19301	41.2
71.04980	22.4
81.07037	12.4
83.05002	10.1
85.02911	16.7
91.05434	9.4
93.07025	19.4
95.08616	56.2
99.04473	20.2
107.08565	36.3
109.06496	9.9
109.10125	20.0
121.06564	12.5
121.10146	24.2
123.04377	9.4
125.43994	8.9
131.08493	13.2
133.10153	32.8
135.08055	19.6
135.11687	19.8
137.05992	17.1
139.11180	9.1
149.09615	26.2
151.11159	17.8
163.14827	20.8
170.79515	10.6
173.13255	41.2
175.07678	10.6
181.04950	16.2
191.14310	100.0
209.15344	79.2
227.08937	17.5
227.16470	15.9
242.99860	10.0
310.22076	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	389.2168
Annotation	Icariside B5
Peak:m/z	Relative Intensity
55.05500	8.9
61.55084	5.8
63.45201	5.7
67.05498	11.3
69.03408	11.4
69.07040	6.9
71.04977	9.0
79.05474	14.0
81.03410	13.3
81.07057	21.1
83.04993	7.2
84.08145	6.3
85.02911	18.1
86.09733	10.1
91.05477	10.9
93.07012	14.2
95.04944	14.2
95.08604	15.5
97.06549	21.0
99.04437	18.5
105.07029	18.1
107.08595	16.4
109.06504	33.3
109.10155	16.0
119.04995	5.6
119.08562	12.5
121.10101	20.7
123.08014	7.3
131.08612	7.0
133.10115	37.1
135.11682	7.9
137.05952	12.1
138.09146	7.6
144.04434	12.1
147.11659	14.1
149.13109	6.0
153.09093	18.0
161.05988	8.2
163.11092	7.0
172.03897	68.5
173.13239	23.7
175.07558	10.8
191.14290	19.1
204.06514	100.0
207.06552	6.5
209.15343	55.0
227.16415	24.6
244.03976	6.7
255.37740	6.4
357.14343	15.9
389.21365	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	389.2165
Annotation	Icariside B5
Peak:m/z	Relative Intensity
50.36988	17.2
53.78826	14.0
67.05464	16.8
69.07058	23.3
70.81580	28.7
71.05001	19.5
81.07049	42.6
85.02875	37.8
85.06545	16.6
86.09704	20.3
91.05447	25.1
93.07038	33.0
95.04948	25.4
95.08596	55.3
99.08092	39.1
103.05455	15.8
105.06992	22.1
107.08579	62.0
109.06495	31.9
109.10129	34.9
121.06483	43.5
121.10116	41.1
123.08082	23.8
131.08536	30.9
133.10110	56.4
134.74738	15.4
135.08061	28.0
137.05963	25.7
137.09581	17.5
141.15552	15.3
149.09608	51.8
149.13248	30.0
151.03799	17.3
151.11108	21.1
163.14787	43.1
173.13124	28.6
177.29219	18.1
191.14171	87.2
203.42221	16.5
209.08134	15.2
209.15305	100.0
258.45804	14.6
281.63144	17.2
285.05362	24.0
292.02994	14.9
327.08536	17.6
344.74435	17.6
389.17606	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Icariside B5
Peak:m/z	Relative Intensity
52.33054	8.6
52.51822	10.8
54.06960	8.2
55.05490	20.2
69.03438	20.3
70.89878	9.4
72.08164	11.9
72.42589	8.6
86.09711	39.8
89.06036	70.9
90.06371	28.6
93.07035	9.7
95.89217	8.8
97.10205	11.7
99.08121	15.7
102.81155	9.2
107.08600	32.8
121.06577	10.0
121.10165	23.6
125.06042	10.2
125.09634	84.4
133.08618	24.0
133.10132	12.6
134.08945	21.4
135.08047	9.6
144.32339	9.6
147.11679	10.8
149.09654	62.9
151.11150	20.6
153.09094	31.7
160.83069	11.0
163.14803	15.2
173.13293	10.9
177.11253	10.5
181.04959	25.2
191.14355	38.7
209.15346	100.0
223.43626	12.5
257.01718	10.3
267.68610	10.4
322.66544	10.5
358.63550	11.0
372.23163	17.7
389.17145	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	389.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91122	0.4
56.25550	0.4
57.07061	1.1
70.06589	2.4
86.09709	0.6
88.07625	1.1
98.22702	0.5
102.09182	0.9
104.99239	0.6
132.10208	1.3
146.11662	0.7
178.07356	0.5
220.44832	0.6
228.23300	0.8
284.29416	1.4
328.31934	3.6
389.22928	100.0
390.23227	6.9
390.35767	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	389.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44186	1.1
56.24125	1.1
57.07079	1.4
59.58956	1.2
64.33030	1.2
69.75194	3.3
70.06581	3.3
88.07619	1.9
98.23365	1.6
114.43408	1.2
132.10199	2.4
133.92207	1.2
146.11800	2.3
205.04948	1.6
220.58311	1.2
243.37411	1.3
284.29391	2.8
328.32196	5.6
349.17075	1.5
389.12149	3.6
389.22943	100.0
390.23190	7.8
390.35797	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	389.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53339	0.4
61.17603	0.5
67.37692	0.4
69.76982	0.9
69.77314	1.1
70.06575	1.2
71.08613	0.4
88.07642	0.5
100.45605	0.5
146.11781	0.7
284.29456	1.2
328.32028	1.4
347.44849	0.5
389.22928	100.0
390.23230	7.6
390.35648	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	389.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	0.6
60.47567	0.4
70.06576	0.9
70.55215	1.0
79.65924	0.6
82.31473	0.5
88.07618	0.8
132.10178	0.9
146.11668	0.7
177.80780	0.5
185.84027	0.4
272.30392	0.6
284.29437	1.0
328.32159	2.4
389.22931	100.0
390.23288	6.7
390.35693	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	389.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29432	0.4
56.47115	0.4
56.56269	0.4
56.96556	0.4
65.85258	0.3
69.61404	1.4
84.35397	0.4
88.03956	0.4
91.05504	0.3
95.79545	0.4
188.40836	0.4
302.30496	0.7
349.16351	0.6
389.22922	100.0
390.23318	6.1
390.35495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60748	0.4
69.35285	1.5
69.98267	0.4
81.07014	0.4
87.84713	0.4
89.27554	0.4
349.16653	0.7
356.52008	0.4
367.85776	0.4
389.22916	100.0
390.23196	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	389.239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55650	0.3
55.01889	0.4
55.05486	0.7
56.05024	0.4
66.04348	0.3
67.05496	0.5
69.03435	0.5
69.07056	6.9
70.06578	0.5
70.07387	0.3
72.08142	2.5
74.06072	0.4
75.05597	1.7
79.05503	0.4
81.07043	0.6
83.04969	0.5
86.09693	100.0
87.10019	1.7
91.57929	0.4
95.04945	0.6
95.08550	0.4
99.04469	0.6
100.04767	0.4
105.07004	0.4
106.04981	0.8
107.04949	0.5
107.08605	0.4
114.86146	0.3
117.23351	0.3
119.04959	0.5
125.09615	0.5
129.06973	0.6
129.10266	0.5
131.04953	0.4
133.06465	0.4
133.10100	0.6
134.18117	0.3
137.05994	1.7
143.11781	10.0
143.12869	0.7
147.04395	0.4
147.07957	0.5
163.07550	0.4
165.09134	0.5
167.07031	1.0
171.11266	8.9
181.04993	0.4
186.05647	0.4
187.07521	0.5
187.14426	0.3
201.12369	0.5
205.26894	0.4
209.15422	0.5
210.11238	0.4
217.08574	1.0
219.13374	5.4
227.12619	1.0
229.05385	0.4
231.17041	0.3
239.17493	1.6
256.20255	0.5
258.14578	1.0
276.15472	1.8
284.19656	3.2
371.23041	0.5
389.17825	26.9
389.23660	1.0
390.18164	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86439	2.4
55.01858	21.0
57.03426	2.6
58.79805	1.8
61.02918	3.7
65.64233	1.8
66.31918	2.2
67.05486	2.8
69.03407	6.0
69.75558	7.0
71.05022	2.0
79.05478	5.1
81.03414	6.5
81.07041	8.9
83.04967	2.6
85.02889	23.7
86.09686	15.9
91.05465	16.5
93.07020	5.3
95.04956	13.5
97.02872	25.8
99.04442	5.4
107.05013	2.5
108.62466	2.4
109.02876	4.0
109.06481	11.3
111.04423	6.3
113.02338	22.2
119.04932	18.5
121.02802	2.3
121.06529	2.7
123.04414	16.0
127.03871	4.7
133.02852	16.2
137.05948	52.8
147.04381	73.2
149.02322	6.5
151.03889	7.4
153.05479	5.2
158.90001	2.1
165.05438	85.3
166.05835	2.2
175.03865	56.0
175.38033	2.5
178.11639	2.4
183.06497	93.4
193.04936	26.6
211.05974	100.0
212.06248	2.8
216.19554	2.1
222.57881	2.5
229.07021	23.7
390.13910	2.8
390.18127	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22196	1.2
59.84337	1.1
62.62186	0.9
67.05499	1.2
69.03433	2.2
72.08172	1.5
74.55858	1.0
76.89597	0.9
84.08133	1.3
85.02903	3.9
86.09699	1.7
91.05448	1.3
95.08614	1.0
97.02903	1.6
98.64994	1.1
105.07080	1.2
107.04958	1.0
109.10133	1.2
110.39685	1.1
118.42056	1.0
119.08596	2.0
121.06459	1.0
137.05922	1.3
137.09618	6.4
147.08022	2.9
149.09529	1.4
161.05989	3.0
165.09097	100.0
166.09470	3.8
175.07518	2.0
192.10121	1.5
193.08585	22.3
211.09619	23.8
229.04665	1.2
273.12085	1.1
297.70880	1.1
345.10730	1.1
390.18152	22.9
391.09869	2.7
391.14584	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
60.30400	0.5
61.02915	1.1
69.03416	2.6
69.95866	1.9
70.06577	2.1
72.08139	1.0
81.03400	0.7
81.07023	0.6
84.04509	1.1
84.08128	1.9
85.02892	10.0
86.09697	2.0
97.02873	2.7
98.22807	0.8
105.07011	0.6
106.83467	0.6
109.02890	1.0
109.10168	1.5
115.03902	1.0
119.08566	1.1
127.03947	1.0
129.10249	1.1
137.05888	1.0
137.09607	6.9
145.04915	1.4
147.08034	3.3
148.51822	0.6
149.02342	1.7
149.09601	1.9
151.07515	0.8
161.06012	0.8
165.09102	100.0
166.09435	3.7
175.07538	2.6
180.08620	0.9
193.08585	26.0
211.09636	28.0
212.09982	0.7
222.44424	0.6
312.49341	0.6
315.17496	0.6
390.18002	6.1
391.15182	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	390.227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05479	1.3
62.06688	1.2
62.98238	3.6
67.05511	2.1
69.73170	3.8
81.07051	5.1
93.07047	1.6
95.04990	1.5
104.48784	1.3
108.22166	1.6
109.10159	7.8
121.06496	5.0
131.04968	2.2
149.02344	3.1
149.05940	2.6
162.03154	4.8
171.08025	1.7
177.05475	2.8
190.02594	11.5
196.67313	1.6
205.04938	100.0
206.05287	4.2
217.04980	2.8
219.06454	9.0
227.07201	1.7
231.06458	2.2
233.08070	6.2
245.08098	4.7
247.09622	14.0
257.07928	2.2
259.09613	19.9
271.09610	21.7
275.12579	6.6
285.11038	3.4
289.04404	1.7
290.04840	3.0
322.54471	1.4
327.15857	13.0
345.16876	23.6
357.10345	2.1
372.12509	6.3
375.11276	5.5
390.13638	16.5
398.57181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	4.8
62.75050	1.4
62.95980	1.4
62.98253	2.1
67.05501	3.4
69.74696	3.7
70.75636	1.3
81.07047	3.9
91.05439	1.7
93.07034	2.2
95.08599	4.1
109.10125	13.3
121.06486	5.8
121.10096	2.9
123.11677	2.7
131.04889	3.1
133.76823	1.3
134.03583	2.3
149.02336	3.5
149.05997	2.2
162.03087	7.1
163.03908	4.8
165.05569	2.9
177.05527	2.1
177.12175	1.3
190.02582	17.6
191.03325	3.3
193.01691	2.6
195.06668	1.5
204.46042	1.3
205.04938	100.0
206.05293	5.0
207.06595	1.7
211.02673	3.5
211.10289	1.3
219.06448	13.9
223.06059	6.2
233.08064	3.9
236.00363	1.9
237.00940	1.9
237.03931	4.5
247.09895	2.0
249.08020	2.1
251.02827	3.3
251.05484	2.2
252.03238	4.0
257.08008	1.5
258.59305	1.3
267.09070	5.1
271.09616	2.9
287.65439	1.5
293.06955	4.9
305.14056	1.8
307.12473	1.5
311.08011	5.9
323.15024	2.2
327.15839	23.6
331.15692	1.8
349.13120	4.7
349.17010	3.1
362.95822	1.6
367.14218	30.1
368.14395	3.0
375.11313	5.6
385.15256	9.5
390.13550	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	23.4
58.16105	24.6
59.53690	20.4
67.05501	25.0
67.27294	24.7
69.07060	48.8
69.16161	47.4
69.16570	100.0
81.07056	31.1
85.10192	26.5
88.24779	21.0
95.08588	35.6
97.10168	40.4
101.04921	23.4
109.10123	26.0
112.57103	24.5
159.18881	22.3
207.68814	24.5
271.72137	27.9
355.28366	81.2
390.27304	39.8
390.35779	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	391.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	7.3
61.02921	5.6
70.06575	9.7
71.44669	5.2
79.05457	6.3
85.02907	8.1
86.09673	7.5
87.04388	5.4
91.05476	8.4
107.04922	8.5
111.04450	5.5
120.08132	6.6
122.03666	5.0
137.05954	53.7
147.04404	6.5
147.08043	8.2
149.02303	47.7
149.05994	19.8
151.03914	10.9
153.05463	7.4
161.06087	6.6
163.07579	7.6
167.07076	20.3
168.43044	4.8
179.07071	7.2
181.04932	11.4
213.09169	5.0
213.11278	5.5
226.14494	4.8
229.04692	88.2
253.08510	7.5
265.09790	5.9
273.11203	9.6
299.08868	5.7
301.58896	5.7
324.80246	5.3
329.10333	7.4
390.17978	15.5
391.09985	100.0
391.18744	44.7
392.10208	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	391.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98079	1.5
59.06509	1.4
69.03432	1.4
69.72360	5.1
70.06575	3.0
71.15856	1.6
80.05333	1.3
81.07054	2.4
89.94960	1.3
91.05478	1.4
93.07053	2.0
98.97615	1.6
99.04408	2.2
105.06999	1.8
107.05038	1.6
107.08526	1.6
110.09666	2.6
115.66501	1.3
120.08074	2.1
123.04457	1.4
129.05266	1.6
137.05978	2.8
149.02347	8.3
161.05977	2.7
166.08638	4.1
176.68810	1.4
189.09087	2.2
195.10133	2.0
205.01552	1.4
219.01639	1.4
237.02824	3.0
384.76340	1.4
391.09970	100.0
392.10501	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	391.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63125	5.7
56.44775	7.2
66.44796	6.7
69.18628	42.5
70.06570	10.2
72.65730	6.5
91.05433	6.7
96.71945	6.2
116.07076	20.2
120.08102	13.5
121.44465	6.6
131.04886	7.5
137.05954	16.7
147.04475	8.3
149.02275	8.8
153.05490	9.2
162.06744	8.3
182.80344	7.1
185.44121	7.1
186.09041	9.5
229.04686	100.0
231.11087	7.7
363.06177	7.5
391.09909	92.6
391.14279	12.3
391.18994	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	391.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01865	6.1
57.03411	0.5
59.04993	1.8
66.03848	0.3
69.03421	11.8
69.03798	0.7
69.68909	0.7
71.04963	0.4
73.02900	0.6
81.03413	2.5
81.65684	0.3
85.02890	4.1
87.04456	5.5
87.66898	0.3
88.09769	0.3
90.22743	0.3
97.02884	13.4
98.03182	0.4
99.04435	0.9
109.02858	2.1
114.06577	0.3
115.03915	100.0
116.04258	2.3
122.32959	0.3
127.03895	4.1
133.04953	7.2
145.04927	1.7
150.91231	0.3
187.06033	0.7
241.07031	0.4
259.08099	3.1
277.09180	1.8
298.92404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01865	6.3
55.47835	0.4
57.03421	0.9
58.46448	0.5
59.04978	1.7
61.01123	0.5
69.03417	12.2
69.38358	1.7
70.06570	0.7
71.04970	0.7
73.02898	0.6
81.03395	3.4
84.08142	1.0
85.02887	5.6
87.04457	4.7
95.04998	0.4
95.13972	0.4
97.02878	15.4
98.22736	0.6
99.04437	1.4
103.03958	0.4
109.02881	3.3
111.04427	0.6
115.03913	100.0
116.04254	1.8
118.06933	0.9
120.21500	0.4
127.03905	4.1
133.04936	7.8
136.25543	0.4
145.04929	2.7
157.04991	0.6
169.04871	0.5
185.79440	0.4
187.06056	0.6
199.06047	0.5
217.06982	0.5
241.07045	0.9
259.08127	3.4
277.09195	1.7
339.43240	0.4
413.69568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34272	1.8
55.05489	4.3
67.05494	29.1
69.07038	3.9
71.04977	4.1
71.08615	3.0
71.44254	2.4
73.94028	1.7
79.05476	9.2
81.07043	18.3
91.05476	8.8
93.07015	9.4
95.04957	6.5
95.08588	8.0
105.04533	2.2
105.06998	5.5
107.04953	5.1
107.08591	6.7
109.02898	1.9
109.06506	3.8
109.10133	64.3
110.23203	1.8
117.03361	2.1
119.04893	4.4
119.08589	2.5
121.10133	7.2
123.04401	8.3
123.08052	2.0
123.11705	3.5
125.09628	2.4
129.07010	2.2
131.08513	1.9
133.10143	2.7
135.04401	15.4
135.11667	4.8
136.05101	3.2
137.05923	2.6
149.02322	16.8
149.05898	3.5
151.03961	3.6
153.12704	2.1
155.08568	2.4
163.03860	49.1
164.04633	6.9
165.05440	34.1
165.06772	3.1
167.03346	2.4
169.06458	2.3
173.02423	2.6
173.05894	2.1
175.07506	3.6
177.05455	2.9
179.03409	2.7
179.06984	4.2
180.04189	4.6
185.05977	2.2
189.05434	2.3
191.03345	44.5
193.04955	8.9
195.06476	25.8
199.03925	2.1
203.06995	7.9
205.04898	8.9
205.08522	4.2
206.05280	2.1
209.04398	7.0
211.07568	2.0
213.05362	3.5
217.04948	2.4
217.08568	2.9
219.02786	9.1
221.04420	4.1
222.01604	1.8
223.05974	100.0
223.41890	1.9
224.06233	2.9
225.07515	2.6
227.06889	3.7
229.08524	10.1
231.06506	4.2
235.05901	7.3
237.03905	63.0
243.10172	3.2
245.08138	7.3
249.07475	3.0
251.05455	45.5
253.07057	8.5
257.08029	11.5
263.09198	6.2
267.13849	2.1
277.10712	3.6
285.14767	5.0
289.10703	5.4
291.08609	14.6
293.10138	2.6
295.13336	4.0
303.15912	5.3
313.14282	10.6
317.10095	2.5
331.15295	3.5
341.13712	8.2
345.16937	6.6
355.15213	2.9
359.14862	10.9
363.17883	8.5
373.16403	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1751
Annotation	Pseudolaric acid C
Peak:m/z	Relative Intensity
53.65264	0.5
55.05496	0.9
57.07058	1.9
59.01373	0.6
66.01045	0.4
67.05511	0.4
69.07062	7.2
69.26343	2.1
70.06594	3.6
71.08617	1.1
72.08138	0.6
72.49866	0.5
75.04469	0.5
79.05487	0.6
79.50111	0.5
81.07041	1.8
82.22198	0.5
83.08614	0.8
85.02898	12.3
86.09686	0.5
88.07614	1.5
91.05477	0.5
93.07026	0.6
95.08601	0.8
97.02847	0.4
98.22691	0.9
105.03384	0.8
111.11693	0.7
121.06496	1.1
123.00771	1.3
123.11683	0.9
125.02374	2.2
132.10207	1.3
133.02843	1.7
146.11771	1.2
147.00795	0.7
149.02367	2.3
151.03891	0.6
153.01811	97.7
154.02115	2.5
161.02309	0.5
163.03906	0.9
167.03409	1.1
171.02858	15.4
179.03333	3.2
181.01338	2.0
193.01306	1.2
205.04820	0.6
205.12236	1.1
207.02872	47.9
208.03233	1.7
209.04451	0.6
211.02414	1.5
215.07104	0.9
223.02332	2.4
225.03925	0.7
235.02348	100.0
236.02629	3.3
249.03938	5.2
253.03293	0.9
257.07986	0.6
261.07480	1.0
263.05524	2.1
267.05011	6.5
275.09164	1.1
277.07101	2.2
279.11893	1.0
284.29590	2.2
285.29901	0.9
289.07004	0.5
291.08780	2.7
303.08588	6.0
304.09055	0.5
323.11200	0.5
328.32022	3.4
329.32520	1.1
331.15375	0.7
341.13928	0.7
359.14850	6.5
360.15213	0.6
390.35724	11.1
391.17639	2.9
391.24506	70.1
391.35504	5.1
392.17700	0.6
392.24860	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	391.2322
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
53.89070	9.2
55.01849	12.2
55.05506	17.1
57.07043	13.2
63.25203	6.7
65.58238	8.0
67.05494	34.7
69.03404	17.6
69.07066	25.2
70.06581	11.6
71.04955	18.3
73.89022	8.8
76.14882	7.2
79.05482	19.3
81.03408	14.2
81.07034	49.9
83.04961	11.8
83.08591	9.7
84.08138	17.6
85.02910	26.3
85.06517	16.9
86.09683	13.9
91.05464	17.2
93.07037	32.9
95.04938	12.6
95.08581	71.0
97.02878	16.1
97.06510	14.3
99.04476	11.5
105.07024	25.8
107.08574	48.6
109.06528	12.4
109.10160	57.3
111.08034	9.0
115.03910	23.0
119.08568	73.7
123.08096	10.0
123.11686	34.6
127.03883	13.1
130.08748	8.5
133.10123	31.1
135.11705	47.3
136.07608	12.5
137.05930	13.7
137.09631	21.5
147.11723	11.6
149.02309	79.9
149.13240	17.9
149.74026	8.8
163.03891	10.6
164.07042	17.0
172.73827	8.1
175.14809	100.0
185.05966	9.8
189.38020	8.2
193.15846	98.2
211.16895	91.5
213.09061	8.4
215.06998	9.7
253.02989	8.3
374.16190	8.8
388.77496	8.6
391.13788	10.9
391.19125	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01534	0.8
63.29404	0.8
63.56281	0.8
66.87062	0.8
67.98151	0.8
95.29930	1.0
95.65427	0.9
107.21390	1.0
132.10217	1.1
142.60103	0.9
149.02309	5.7
205.05103	1.0
241.07526	1.2
289.08923	0.9
369.19315	1.2
390.35803	1.9
391.24585	100.0
391.35800	2.7
392.24945	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	4.9
58.06583	1.4
70.06583	13.8
71.06895	2.0
71.08629	1.5
71.18649	1.0
72.08145	1.1
84.08126	1.7
86.09698	2.5
88.07619	4.4
102.09197	2.1
115.30910	0.7
132.10240	4.4
133.10576	0.9
146.11745	5.8
147.12030	0.7
149.02357	1.0
156.21823	0.7
162.92497	0.8
240.26881	1.7
267.28693	0.9
274.37982	0.7
284.29456	4.2
285.29575	3.4
321.16818	1.5
328.32053	15.4
328.35983	0.9
329.32401	14.9
390.35745	42.1
391.24518	100.0
391.35953	38.5
392.24826	6.6
392.36569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36398	0.6
57.07057	2.3
59.52039	0.5
70.06583	6.7
70.15584	0.7
70.15928	1.1
71.06914	0.6
71.08623	0.6
84.08104	0.7
86.09681	1.0
88.07619	2.1
102.09170	1.5
105.44108	0.5
126.71941	0.5
132.10188	2.7
146.05974	0.5
146.11740	2.3
149.02319	2.5
164.07141	0.7
182.14795	0.5
284.29449	2.4
285.10120	0.6
285.29694	1.2
306.26959	0.6
321.16678	0.7
328.32059	6.3
329.32300	5.7
390.35730	14.5
391.24500	100.0
391.35831	18.8
392.24878	7.5
392.36438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.6
69.10838	0.2
69.22843	0.6
69.23251	0.8
70.06580	1.3
71.08629	0.3
81.07014	0.3
88.07619	0.7
91.05403	0.3
132.10184	0.5
146.11801	0.5
149.02335	1.5
284.29541	0.6
285.29935	0.3
328.31985	0.9
329.32318	0.7
362.93234	0.3
364.56232	0.3
390.35657	2.5
391.24487	100.0
392.24808	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	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.5
70.06578	1.1
70.69468	0.4
88.07637	0.4
98.22778	0.5
123.68837	0.3
131.08635	0.4
131.09660	0.4
146.11713	0.5
149.02335	1.4
285.29752	0.4
328.32147	0.7
329.32275	0.5
390.35828	2.4
391.24469	100.0
392.24854	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	391.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	1.2
58.06588	1.8
67.05471	1.5
67.35225	0.8
69.46562	3.8
70.06588	1.5
72.25212	0.8
79.05470	1.7
81.07042	1.0
83.08598	0.8
88.07604	2.8
89.07915	1.0
93.07025	1.0
95.04953	1.2
95.08572	1.2
99.91476	0.9
100.14140	0.8
105.06977	1.3
109.10168	0.9
118.82006	0.8
132.10184	1.7
149.02351	4.2
217.18115	0.9
256.26404	1.2
328.32056	1.0
331.15732	2.1
349.16843	1.2
390.35794	6.6
391.24469	100.0
391.35583	5.6
392.24866	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28665	0.5
69.89928	1.1
69.90264	1.0
70.31248	0.5
82.69340	0.5
85.43118	0.5
98.23393	1.0
124.75622	0.6
158.23441	0.6
166.80751	0.5
241.67876	0.5
353.72681	0.6
391.24518	100.0
392.24799	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	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41397	0.4
57.07081	0.6
60.53415	0.4
71.76839	0.5
75.89159	0.4
79.05508	0.7
81.07036	0.6
88.07622	0.5
98.23522	1.1
109.10229	0.5
119.35515	0.5
137.04289	0.5
145.10104	0.5
149.02313	2.1
175.98438	0.5
187.47734	0.5
212.43538	0.5
266.09039	0.5
280.47015	0.5
345.03326	0.5
391.24493	100.0
392.24844	6.4
404.85837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	0.4
70.06570	1.2
70.32058	0.7
82.67611	0.4
88.07618	0.6
131.64723	0.4
132.10197	0.7
146.11690	0.4
149.02327	1.0
169.31938	0.4
233.52414	0.4
265.00140	1.0
284.29523	0.6
285.29910	0.6
328.31985	1.9
329.32428	1.2
390.35724	3.6
391.24478	100.0
392.24783	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	391.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23440	1.7
50.29422	1.7
55.05486	7.3
56.78833	1.7
57.07051	3.6
59.04973	2.2
63.24436	1.7
65.03886	1.7
67.05491	9.0
69.03383	1.8
69.07040	4.2
70.06540	1.9
70.15446	1.5
71.22653	1.6
79.05475	11.4
81.07045	18.3
83.04951	1.8
83.08596	2.2
83.77368	1.7
85.06493	2.2
91.05040	1.8
91.05463	20.5
93.07039	17.4
95.04948	17.9
95.08613	11.2
97.06470	2.4
105.07017	38.0
107.08556	11.2
109.06454	4.4
109.10101	5.7
115.05368	2.4
116.34315	1.7
117.06995	10.2
119.08560	31.0
121.06416	5.5
121.10110	13.8
123.07992	2.7
126.62209	1.6
128.06143	6.6
129.06955	7.8
130.07721	4.0
131.08521	15.2
133.10109	8.9
135.08029	2.7
135.11581	2.7
141.06947	4.2
142.07787	9.2
143.08536	18.7
144.09225	3.9
145.06396	2.0
145.09119	2.2
145.10097	25.1
147.07945	4.8
147.11581	2.5
149.02278	2.8
153.06912	2.6
154.07730	1.8
155.08467	7.8
156.09225	6.5
157.10118	16.3
158.10532	2.1
159.07944	3.2
159.11586	5.3
161.09557	2.4
165.06885	2.3
166.07706	2.1
167.08423	5.5
168.09285	3.4
169.10098	14.0
170.10811	3.9
171.11678	11.2
173.09621	4.4
173.13126	7.8
175.11072	2.5
175.14828	2.1
179.08466	4.7
180.09250	2.8
181.10054	8.4
182.10794	3.9
183.11615	9.7
185.09557	2.0
185.13289	4.1
186.22032	1.8
187.11086	3.0
192.09178	2.5
193.10017	6.3
194.10745	5.1
195.11636	9.9
196.12379	2.5
197.13193	9.3
199.11162	3.9
199.14719	2.6
205.09943	3.0
206.10675	4.9
207.11633	9.2
208.12428	2.1
209.13225	9.0
211.11177	2.7
211.14627	3.9
216.09244	2.0
219.11507	4.3
220.12297	3.4
221.13086	7.0
223.14626	5.1
224.15419	2.2
225.12456	2.4
227.14192	3.2
232.12469	2.2
233.13066	5.0
235.14647	4.5
237.16327	2.4
247.14456	3.0
248.15359	2.3
249.12630	3.0
249.16212	3.1
251.13968	2.7
259.14587	2.0
261.16281	1.9
263.17838	2.9
264.18579	2.4
269.18976	2.2
275.17673	3.6
278.52783	1.8
282.19650	2.0
297.18243	4.1
335.19766	4.3
373.25125	9.9
391.24557	100.0
391.35617	6.4
392.24762	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01862	10.1
55.05506	90.6
57.03165	4.6
57.03428	38.8
57.07071	3.8
59.44592	2.3
65.03949	3.1
67.05497	45.5
69.07055	7.3
71.67667	2.2
72.58887	2.5
79.05473	23.8
81.07030	22.8
83.08606	40.9
85.06527	34.8
85.92249	2.4
91.05466	16.2
93.07024	17.8
95.04955	56.1
95.08606	9.4
97.06519	4.9
105.07011	17.6
107.04951	8.9
107.08545	14.5
109.06500	65.6
109.10122	3.0
113.05991	100.0
114.06290	3.1
117.07039	6.7
117.79281	2.6
119.08582	8.0
121.06507	3.6
121.10139	7.5
123.08034	2.9
129.06970	4.8
131.08559	15.0
133.10092	4.0
135.08025	55.4
135.11688	4.8
136.38107	2.6
143.08566	8.7
145.10112	10.1
147.08057	5.6
147.11703	4.2
149.02335	10.1
149.09633	3.0
155.01009	5.5
156.63972	3.0
157.10141	6.6
159.11650	3.9
161.09598	8.1
163.11221	3.8
165.08994	2.6
171.11554	3.5
183.11674	3.1
187.11067	3.1
199.14859	3.2
201.12700	4.0
209.65788	2.7
217.15855	19.2
219.13731	3.2
233.15280	3.5
255.17357	4.5
273.18457	30.4
291.19476	94.5
292.19873	5.2
358.85263	3.2
373.27362	3.5
392.35025	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	392.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05484	0.6
56.96542	0.9
69.03423	2.9
71.04577	0.8
71.04978	15.3
71.08611	0.7
71.44012	0.7
71.79382	0.6
72.08123	1.1
75.94513	0.6
79.05486	1.5
81.03413	3.3
85.02883	2.2
85.54811	0.6
86.09690	0.7
95.04924	0.8
97.02885	4.2
98.97576	0.8
99.04438	100.0
100.04782	1.0
100.10973	0.7
107.04926	3.9
109.02863	2.5
110.53683	0.6
115.03927	3.2
116.98618	0.9
117.05475	14.1
121.02865	2.1
127.03884	2.2
135.04408	2.2
137.05891	0.8
145.04948	1.8
149.02303	6.0
149.09593	0.7
150.02597	1.3
153.05428	1.4
163.03969	1.3
163.07518	0.6
167.06956	0.9
191.65405	0.6
195.06461	4.4
195.10246	0.9
202.01570	0.9
213.07526	1.3
220.02888	3.0
222.04335	2.0
238.03813	1.5
240.05318	1.0
243.08603	3.9
248.02338	2.8
261.09671	4.7
262.03711	0.7
264.05630	1.1
266.03287	4.8
290.03357	3.6
308.04443	3.6
346.03558	0.8
391.18979	2.4
392.07288	11.9
392.13748	2.4
392.19238	3.8
393.07828	0.9
393.16779	1.2
410.07544	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06812	0.5
59.01839	0.4
60.70095	0.5
69.33348	2.2
73.26662	0.4
96.64107	0.4
99.04442	1.0
143.03123	1.3
149.02330	1.1
179.80942	0.4
209.82007	0.5
212.03278	0.6
228.06226	0.7
230.04323	2.9
248.04066	1.1
260.13953	0.5
272.04626	0.5
273.03009	0.4
330.09497	4.1
332.07245	0.8
333.08081	0.8
346.08936	0.5
350.07309	1.2
392.09457	100.0
393.09778	6.6
410.08990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07161	0.3
80.54273	0.3
99.04433	0.4
107.46760	0.4
124.40522	0.3
127.37566	0.3
135.27530	0.4
143.03152	1.0
149.02238	0.5
185.04318	0.5
197.54892	0.4
212.03094	0.7
228.06319	0.9
230.04254	2.2
272.05127	0.5
330.09378	3.8
332.07370	0.8
333.08060	0.8
346.08945	1.1
358.97766	0.4
372.46381	0.4
374.08804	0.4
392.09427	100.0
393.09732	6.3
410.09256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10876	3.2
55.39303	3.4
57.07058	3.7
66.73911	3.1
75.36032	3.6
82.15803	3.3
148.37556	3.4
149.02338	14.7
150.02539	4.9
171.11836	4.6
317.79636	3.8
343.33353	3.4
345.68658	3.6
392.09769	7.4
392.14633	100.0
392.23514	4.7
393.14835	10.9
401.44839	4.0
410.15631	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	392.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33565	10.3
70.06586	64.3
74.55791	2.0
94.93017	2.4
100.62391	1.9
116.07076	100.0
118.02762	2.3
137.07823	2.3
211.30235	2.2
230.04114	2.6
248.89618	7.3
363.79251	2.4
392.09415	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
53.63334	0.4
57.01820	0.4
67.89309	0.4
69.03429	2.2
69.72405	0.4
71.04987	16.5
71.21457	0.4
78.70222	0.4
81.03413	2.6
85.02900	2.3
97.02868	3.8
99.04443	100.0
100.04767	1.6
109.02840	1.9
115.03905	3.2
117.05479	13.9
127.03928	1.9
145.04967	1.8
150.96121	0.4
159.06531	0.4
171.06459	0.9
204.64084	0.4
207.65527	0.4
243.08658	3.9
261.09659	5.3
283.22580	0.5
289.77008	0.5
372.25076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	5.5
70.06561	2.9
70.56193	2.5
71.06112	3.0
71.43825	3.1
74.85194	3.1
76.81738	2.4
77.00625	2.9
79.05470	4.7
85.02894	9.2
85.41921	2.6
86.06048	17.2
86.09717	3.7
91.05505	2.7
95.04966	2.9
97.02869	6.6
99.04444	8.2
102.03703	2.9
103.05466	5.7
107.04934	36.5
115.08715	4.3
117.03375	2.4
118.03190	6.2
131.04903	4.5
135.08069	13.3
136.07616	4.5
145.02802	7.8
147.05849	23.7
149.02261	3.1
149.07466	5.1
163.07536	37.6
167.07028	96.5
168.07262	3.3
173.97906	3.1
175.04254	6.7
180.07814	3.3
195.06500	12.9
195.10143	24.9
213.11182	100.0
214.11578	3.6
215.41995	2.8
253.12123	2.9
263.10562	47.1
375.15784	6.6
376.24796	3.0
392.18207	3.2
393.11646	3.4
393.24677	15.1
400.85419	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.6
63.31789	1.1
69.03428	3.6
70.06586	3.9
72.08138	1.5
79.05487	4.3
84.04496	2.2
85.02902	10.1
86.09694	1.2
91.05466	3.4
93.07041	1.9
95.04968	1.9
97.02885	2.9
99.04448	1.6
103.05474	4.6
105.07035	3.2
107.04942	37.1
107.08591	1.8
111.04417	1.2
115.05473	2.0
116.07105	3.8
119.04965	1.6
120.08119	4.2
121.06490	1.2
121.08430	2.3
122.53029	1.1
123.04400	2.8
124.05235	1.8
125.05975	3.2
127.03990	1.8
131.04903	3.6
135.04454	1.7
135.08037	12.2
137.05954	9.6
138.06326	5.0
147.04381	2.0
148.04742	1.1
149.02368	2.6
149.06030	1.5
151.03912	2.5
153.05464	5.0
154.05910	2.7
161.05952	2.2
162.06593	1.3
163.07527	32.1
164.07817	1.8
167.07014	86.4
168.07402	4.2
177.05423	1.5
180.07875	3.0
181.08597	1.6
187.09381	1.5
195.10149	32.7
196.10519	1.4
213.11191	100.0
214.11516	3.2
216.08763	12.4
232.11575	2.0
240.08762	8.8
254.08882	1.6
259.12845	1.3
265.18948	1.2
272.39343	1.1
300.10864	6.3
312.09418	1.3
342.10510	3.0
376.13986	3.7
392.09888	3.1
392.20102	6.8
393.15341	4.8
393.20828	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	392.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18227	0.8
59.36904	0.9
67.05488	1.6
70.24973	2.3
71.30761	0.8
77.36085	0.8
77.88549	0.9
79.05477	1.0
81.07033	2.6
83.01323	1.6
88.07635	1.3
91.05478	1.1
93.07003	2.2
95.08611	1.7
102.09119	1.1
102.74536	0.8
103.93372	0.9
105.07008	1.0
109.10154	6.1
119.04994	1.4
121.06520	5.1
121.10149	3.4
123.11691	2.4
131.04953	2.6
147.04398	1.8
149.02280	1.2
149.05956	2.4
162.03093	9.3
175.03848	1.5
177.05466	1.2
190.02583	17.6
191.06989	1.6
193.04935	1.8
200.20110	2.2
205.04939	100.0
206.05307	3.1
207.06465	2.2
219.06465	8.9
219.08138	0.9
231.06371	1.2
233.08038	3.0
247.09566	2.6
271.09674	2.8
285.11108	3.1
327.15869	30.0
328.16180	2.4
392.24149	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52095	2.1
51.84701	1.8
55.05511	2.8
57.07059	7.8
61.02923	4.1
62.75939	2.1
67.05496	4.9
69.03419	5.8
69.07056	5.7
70.28626	3.1
70.28940	3.6
79.05487	41.1
81.03424	4.1
81.07040	8.3
81.96854	2.2
83.01355	2.0
83.04973	6.4
85.02897	34.2
86.09697	6.9
91.05486	6.8
93.07034	37.5
93.62035	2.1
95.04951	3.6
95.08608	4.0
97.02872	8.4
97.06521	5.0
99.04453	3.0
105.07057	2.1
105.93756	2.2
107.04980	5.7
107.08588	16.3
109.02823	3.7
120.08109	12.1
125.05980	19.3
127.03880	3.6
128.35507	2.4
128.74693	2.1
133.10136	12.8
135.11681	100.0
136.12022	3.0
139.07573	10.8
145.04918	4.8
149.02313	2.8
149.13240	9.1
149.88675	2.0
151.03876	2.9
153.12769	3.5
159.11703	2.3
168.61934	2.4
177.09071	3.0
177.12755	19.4
191.18163	2.3
195.13788	68.3
196.14244	4.0
270.84912	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	393.058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.9
56.96572	6.2
70.06586	11.8
71.23685	6.6
71.40554	6.5
72.08150	100.0
98.97584	15.8
108.84538	6.9
115.03938	9.1
118.08647	60.2
158.86369	5.6
158.99629	6.7
219.01666	5.9
248.99112	8.9
273.02737	8.0
282.86218	6.0
333.04849	9.9
351.06039	13.3
393.05826	24.2
412.01233	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	393.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43715	2.0
56.87679	2.2
68.94467	2.1
68.99779	4.6
69.03416	6.1
70.17319	2.2
71.43326	2.2
76.59107	2.1
77.13166	2.2
79.05476	9.9
81.07044	5.5
85.02901	4.2
91.05436	6.9
93.07032	2.7
95.04951	5.1
95.08573	3.6
107.04939	34.3
109.02898	2.5
109.06503	3.8
109.10125	2.5
115.03925	2.5
115.05449	2.6
120.29295	2.4
121.02843	4.4
121.06437	3.9
124.05219	2.8
125.02341	4.0
125.05972	5.4
125.73203	2.4
128.06158	2.3
131.40387	2.2
135.04349	3.6
137.05952	2.8
141.06935	8.6
143.03354	4.3
145.10049	2.1
147.04401	4.0
151.03880	5.0
151.07483	3.8
153.01810	29.2
153.05473	4.4
157.06433	3.2
163.03873	5.7
167.07027	26.9
168.05713	6.8
169.06491	9.4
171.04425	5.1
171.07986	2.2
171.18677	2.4
177.05443	6.1
181.04965	21.2
181.06447	4.7
183.04344	4.8
184.05173	4.5
185.05974	4.2
187.07602	2.5
192.04263	2.3
195.04414	3.1
195.06506	7.9
196.05153	9.4
197.05928	14.4
198.06688	4.4
199.03847	5.6
199.07497	4.9
200.04721	2.9
200.08253	2.3
201.05363	3.8
201.08981	3.5
203.06905	3.5
205.04906	9.6
207.06514	3.2
211.03996	4.0
211.05771	2.8
212.04663	5.9
213.05431	7.4
214.06219	9.0
215.03363	3.2
215.06975	3.5
217.04944	4.8
217.08638	2.8
217.78371	2.1
224.04591	2.6
225.05396	6.7
226.06340	4.9
227.07008	20.7
229.04965	4.0
229.08568	9.4
231.06483	7.2
232.07204	3.4
235.05998	6.1
240.04214	3.0
241.04912	9.9
241.08536	3.5
242.05762	11.0
243.06532	13.3
254.05687	10.6
255.06387	7.9
256.07169	5.2
257.04611	5.1
257.08038	30.6
258.08722	5.8
259.05988	11.7
261.11121	2.8
269.04367	4.0
270.05280	3.0
271.09677	5.2
272.06747	6.7
273.07751	4.4
273.11151	56.6
274.08237	7.5
274.11169	2.4
275.09119	7.3
283.06033	3.3
285.04651	2.5
285.07465	15.3
287.05441	12.0
287.09094	10.5
289.10672	23.7
299.05411	3.2
301.06961	6.5
302.07669	5.6
315.08560	25.8
317.10150	100.0
318.10455	7.5
319.08118	3.1
329.06454	20.8
331.07855	4.0
331.11600	3.6
333.09558	3.8
343.08081	49.9
344.08286	4.2
347.11307	14.0
361.09134	44.9
362.09470	4.4
393.22336	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	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05347	0.6
53.64420	0.5
55.20263	0.5
55.20552	0.5
64.86305	0.5
66.64041	0.5
68.05000	1.8
69.18085	3.4
70.06563	0.6
72.08131	1.9
73.02891	1.2
86.09675	0.7
91.05457	0.7
95.04919	1.3
96.86958	0.7
98.23385	1.6
105.06988	0.7
109.06484	0.7
112.85886	0.6
121.06512	0.9
125.05988	1.3
130.04948	0.8
137.05974	1.0
140.03398	0.9
148.73500	0.8
149.04590	0.7
149.05940	1.1
151.03903	4.7
172.06058	1.4
179.07037	0.7
189.06343	0.9
197.08066	1.7
201.06419	1.6
202.07220	2.0
203.08029	2.2
204.08775	8.0
215.07988	2.4
216.08783	100.0
217.09253	4.8
218.10324	5.6
225.06403	9.4
226.07083	2.7
227.08047	1.2
228.08728	1.4
229.02255	0.6
229.09572	1.4
230.10347	8.9
231.10648	0.6
240.08772	51.9
241.09462	3.5
241.11528	0.6
246.09831	6.5
258.09845	2.3
268.08316	4.9
272.11365	3.7
283.09363	1.4
300.10876	55.1
301.11066	3.3
311.08792	1.0
315.12015	1.0
333.13019	2.6
343.11462	2.2
361.12656	6.1
375.14258	4.2
393.15134	27.8
394.15359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1683
Annotation	Dicitrinin C
Peak:m/z	Relative Intensity
52.69713	0.6
55.01863	1.5
57.03427	1.4
57.07044	1.0
61.01141	7.0
61.61171	0.6
67.05484	1.3
69.03416	4.7
70.06576	1.2
71.04971	2.1
71.06106	8.9
72.04513	3.6
73.02893	1.9
76.02201	1.9
76.77294	0.7
77.00614	7.1
78.03771	2.9
84.08130	1.3
85.01051	0.6
85.02899	1.5
85.06527	1.3
86.06050	48.8
88.02210	0.9
91.05445	1.0
95.04942	2.7
95.63201	0.7
97.02883	8.1
98.06030	4.2
99.04449	1.1
101.00587	1.0
102.03770	3.6
103.02158	1.5
113.02340	1.9
113.04224	0.8
113.05997	2.1
115.03909	7.3
115.07908	1.2
115.08673	16.9
118.02376	1.3
118.03219	23.1
120.04774	2.5
124.07543	1.5
125.05959	1.3
125.07035	1.6
130.03181	2.9
130.08615	1.1
131.05264	3.8
132.04750	1.9
137.05971	1.3
141.06546	0.9
142.08618	4.3
145.06502	0.9
147.01173	0.9
147.05843	53.6
148.06174	0.8
149.06277	1.0
149.07411	5.3
151.03908	7.0
151.05040	1.5
151.07545	0.9
157.04327	1.7
163.35233	0.6
171.72697	0.6
174.05788	1.2
175.04205	27.4
175.12492	0.6
176.04507	0.7
176.78848	0.7
177.05449	0.6
178.05728	0.6
179.07045	1.3
184.09651	1.2
192.06836	4.7
197.08063	1.7
210.59467	0.8
215.03265	0.7
217.07014	0.8
219.11604	7.3
234.63792	0.7
241.07184	1.9
243.02916	1.5
245.09375	0.8
259.08176	2.4
263.10559	100.0
264.10815	3.5
273.08923	1.3
273.20621	0.6
287.96506	0.6
351.04758	0.7
375.04855	1.0
375.11118	1.2
375.15775	19.3
376.16061	1.0
393.06543	1.9
393.14008	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	393.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03385	1.5
53.43007	1.8
55.05513	1.5
56.55107	1.8
58.99600	1.7
62.52383	1.4
62.59323	1.4
67.05489	3.9
67.09607	1.6
69.07034	1.6
69.34167	6.7
70.14721	1.6
79.05486	3.6
81.03412	2.8
81.07032	4.9
83.04965	2.2
85.02861	2.0
86.09707	3.1
91.05473	3.5
93.07030	4.5
95.08599	3.4
97.06525	2.1
105.07011	2.8
106.40933	1.7
107.08584	3.0
109.06485	1.8
109.10124	2.1
115.34609	1.7
119.08587	2.7
120.08130	3.4
125.06026	2.6
131.04906	1.8
133.10123	1.7
137.06010	2.2
145.10086	2.0
146.44778	1.5
151.03882	5.3
159.11688	2.3
163.03902	1.9
197.08061	1.9
246.71768	1.8
340.52213	1.8
393.18771	100.0
394.18997	8.4
394.34100	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	393.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60402	1.0
54.99667	1.1
55.05499	1.6
57.04751	1.1
67.05488	1.4
69.03418	1.2
69.07075	1.1
69.51577	1.8
69.51956	1.8
72.08127	1.6
77.28757	1.1
79.05457	1.7
79.89897	1.1
81.07020	3.5
84.08122	2.0
89.81198	1.3
91.05473	1.7
93.07031	2.3
95.04892	1.7
95.08624	1.7
98.23519	1.2
105.07016	2.2
117.07024	1.3
119.08588	1.3
120.08074	2.1
130.04892	1.4
133.02838	1.3
133.10107	2.0
156.08083	3.5
172.93019	1.1
184.07567	12.2
202.08589	6.2
203.05234	25.1
213.12453	3.8
230.08058	4.5
273.36325	1.4
393.18698	100.0
394.19025	6.5
394.32220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.188
Annotation	CHEBI:83897
Peak:m/z	Relative Intensity
54.60402	1.0
54.99667	1.1
55.05499	1.6
57.04751	1.1
67.05488	1.4
69.03418	1.2
69.07075	1.1
69.51577	1.8
69.51956	1.8
72.08127	1.6
77.28757	1.1
79.05457	1.7
79.89897	1.1
81.07020	3.5
84.08122	2.0
89.81198	1.3
91.05473	1.7
93.07031	2.3
95.04892	1.7
95.08624	1.7
98.23519	1.2
105.07016	2.2
117.07024	1.3
119.08588	1.3
120.08074	2.1
130.04892	1.4
133.02838	1.3
133.10107	2.0
156.08083	3.5
172.93019	1.1
184.07567	12.2
202.08589	6.2
203.05234	25.1
213.12453	3.8
230.08058	4.5
273.36325	1.4
393.18698	100.0
394.19025	6.5
394.32220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1882
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
51.45630	0.4
52.90868	0.4
59.03539	0.5
60.60050	0.4
64.78758	0.5
71.42548	0.5
79.05482	0.6
81.07068	0.6
84.08139	0.6
93.07042	0.6
93.18869	0.4
98.15870	0.5
105.07038	0.6
107.08575	0.6
109.06480	0.4
110.88097	0.4
120.08076	0.6
128.07108	0.5
137.05995	0.6
145.47325	0.5
151.03865	0.5
161.05864	0.7
166.05025	0.8
167.07022	0.6
177.09099	0.8
231.06540	1.0
240.15062	0.4
240.63055	0.5
284.19275	0.6
289.81735	0.5
304.30023	0.5
312.29044	0.5
393.18826	100.0
394.19153	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	393.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.3
70.06577	0.3
71.41502	0.2
72.08150	1.5
79.73123	0.2
84.04493	0.7
86.09700	0.6
94.96770	0.2
95.04962	0.2
98.97589	0.3
107.04931	0.5
118.08595	0.4
120.08089	2.9
121.06509	0.3
135.31593	0.2
137.05951	0.6
149.06010	1.2
151.03889	1.4
166.08539	0.3
167.07051	0.4
177.05490	1.1
183.11281	0.3
187.11137	0.3
201.06483	0.3
204.08742	0.7
215.07901	0.2
216.08784	14.7
217.09219	0.4
218.10268	0.4
219.01678	0.3
221.02087	0.2
225.06310	1.4
226.07106	0.5
230.10291	1.4
233.16554	0.3
237.02838	0.6
240.08766	8.0
241.09209	0.4
246.09827	0.6
258.09595	0.3
268.08270	0.9
272.11401	0.4
273.11209	0.5
300.10880	6.8
301.10919	0.6
333.12811	0.3
352.06674	0.3
361.12357	0.7
373.91510	0.3
375.14114	0.6
376.13931	1.2
393.20862	100.0
394.15881	0.5
394.21231	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	393.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.8
55.23135	1.4
57.03435	8.4
57.07071	44.7
57.81649	1.4
58.07385	1.6
67.05505	15.7
69.07054	5.6
69.40388	6.5
69.40756	2.5
71.08628	33.4
79.05464	1.6
81.07046	18.0
83.08624	10.4
85.10175	19.2
89.06021	3.6
93.07021	1.7
94.13931	1.3
95.08598	23.7
97.10154	4.2
98.23487	1.7
98.98460	75.1
109.10170	12.1
113.00012	24.8
121.10169	1.7
123.11707	5.5
137.13239	2.9
155.01028	100.0
156.01367	1.9
165.16405	1.8
169.02609	20.7
195.02527	1.4
195.12216	2.8
222.63988	1.4
239.23669	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	393.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39624	0.7
55.05507	5.3
57.03429	5.2
57.07069	37.2
67.05497	14.2
69.07062	7.2
69.42068	4.1
71.08627	26.6
81.06566	1.0
81.07047	18.8
83.08607	12.6
85.10171	15.4
89.06007	5.3
90.32584	0.8
95.08589	23.3
97.10155	6.6
98.98454	71.2
99.11739	1.2
109.10130	12.2
110.10487	1.1
116.99473	2.1
123.11681	5.6
133.08575	2.1
137.13235	1.9
143.76582	0.8
151.14796	1.6
155.01016	100.0
156.01288	1.0
159.08817	0.8
181.79681	0.8
188.86961	0.8
195.12206	5.1
221.22574	1.2
239.23706	5.5
380.88651	0.9
393.24002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15395	7.4
54.78485	7.6
55.05492	9.8
67.05500	17.9
69.03442	11.7
69.07063	26.3
70.06583	13.6
72.08134	8.1
79.05469	14.2
81.07059	45.8
83.08652	9.6
84.08149	18.6
85.02901	16.8
85.06550	9.6
86.09699	42.4
91.05457	9.8
93.07039	22.4
95.08584	47.5
99.04468	9.9
99.08117	9.9
105.06992	13.2
107.08574	52.0
109.10178	18.5
115.03944	7.5
120.08081	21.6
121.10128	44.3
121.12244	8.3
128.86053	6.8
129.07060	8.0
129.10220	9.5
135.11679	13.1
136.07529	12.7
155.08371	8.1
164.07095	8.2
172.07756	8.7
174.09860	7.7
177.16351	100.0
195.17390	40.2
213.18544	22.3
216.08817	25.3
231.19621	13.6
240.08824	22.1
241.13280	8.7
241.58136	7.7
300.10983	14.3
393.15353	22.2
393.20541	12.4
394.14001	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	393.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18630	4.2
55.05497	10.8
56.97977	4.6
56.98665	4.4
57.03439	6.3
57.07062	11.5
67.05499	11.1
69.03426	11.3
69.07054	36.0
70.06586	8.4
71.22226	7.3
79.05484	13.2
81.03378	5.3
81.07039	19.7
83.08595	8.7
84.04504	4.4
84.08143	10.7
85.02897	19.9
86.09689	18.4
91.05460	12.9
93.07020	26.3
95.08598	33.3
97.02850	4.8
97.10152	7.2
99.08091	5.3
105.07013	13.7
107.08582	47.0
109.10136	29.5
109.24062	4.5
111.08071	8.1
117.07065	5.2
119.08576	7.2
120.08097	56.7
121.02890	5.0
121.10136	100.0
123.11691	13.7
125.05985	4.3
125.09624	10.1
135.08061	8.2
135.11676	26.6
137.13246	12.7
139.11156	52.5
143.11746	4.7
149.13220	4.8
165.16345	5.3
166.08655	5.3
172.07632	5.2
177.09009	11.7
177.16364	89.7
178.16779	4.6
193.08588	5.1
195.17409	79.9
200.04939	4.2
213.18515	10.4
262.11942	7.5
271.29269	4.7
310.97168	4.9
362.29797	4.8
393.15320	8.2
393.21375	7.3
402.18076	4.4
405.40570	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	393.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15395	7.4
54.78485	7.6
55.05492	9.8
67.05500	17.9
69.03442	11.7
69.07063	26.3
70.06583	13.6
72.08134	8.1
79.05469	14.2
81.07059	45.8
83.08652	9.6
84.08149	18.6
85.02901	16.8
85.06550	9.6
86.09699	42.4
91.05457	9.8
93.07039	22.4
95.08584	47.5
99.04468	9.9
99.08117	9.9
105.06992	13.2
107.08574	52.0
109.10178	18.5
115.03944	7.5
120.08081	21.6
121.10128	44.3
121.12244	8.3
128.86053	6.8
129.07060	8.0
129.10220	9.5
135.11679	13.1
136.07529	12.7
155.08371	8.1
164.07095	8.2
172.07756	8.7
174.09860	7.7
177.16351	100.0
195.17390	40.2
213.18544	22.3
216.08817	25.3
231.19621	13.6
240.08824	22.1
241.13280	8.7
241.58136	7.7
300.10983	14.3
393.15353	22.2
393.20541	12.4
394.14001	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	393.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15395	7.4
54.78485	7.6
55.05492	9.8
67.05500	17.9
69.03442	11.7
69.07063	26.3
70.06583	13.6
72.08134	8.1
79.05469	14.2
81.07059	45.8
83.08652	9.6
84.08149	18.6
85.02901	16.8
85.06550	9.6
86.09699	42.4
91.05457	9.8
93.07039	22.4
95.08584	47.5
99.04468	9.9
99.08117	9.9
105.06992	13.2
107.08574	52.0
109.10178	18.5
115.03944	7.5
120.08081	21.6
121.10128	44.3
121.12244	8.3
128.86053	6.8
129.07060	8.0
129.10220	9.5
135.11679	13.1
136.07529	12.7
155.08371	8.1
164.07095	8.2
172.07756	8.7
174.09860	7.7
177.16351	100.0
195.17390	40.2
213.18544	22.3
216.08817	25.3
231.19621	13.6
240.08824	22.1
241.13280	8.7
241.58136	7.7
300.10983	14.3
393.15353	22.2
393.20541	12.4
394.14001	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	393.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07788	0.8
90.49574	0.6
107.89339	0.7
149.12411	0.6
166.00298	0.7
292.31534	0.7
393.26044	100.0
394.26321	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	393.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57431	0.5
63.37542	0.5
69.73489	1.7
87.61417	0.5
91.05744	0.4
91.49306	0.5
119.28933	0.4
131.21140	0.4
187.57584	0.5
275.44260	0.5
393.26047	100.0
394.26477	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	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39553	1.6
63.01387	1.6
67.05506	1.8
69.96444	3.5
69.96768	1.5
72.08146	2.5
80.94850	2.0
86.29266	1.4
91.05446	2.0
93.07046	1.6
95.08596	2.0
105.07034	1.6
120.08085	5.8
198.78413	1.4
267.14801	2.1
393.26038	100.0
394.26373	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	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70954	0.5
68.13043	0.5
80.42667	0.5
91.85204	0.4
106.69581	0.5
228.77357	0.6
389.09296	0.6
392.14127	0.5
393.26031	100.0
394.26404	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	393.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
62.30776	0.4
67.05471	0.8
69.24950	1.3
69.25374	1.3
71.37433	0.4
79.05470	1.1
81.07037	1.1
91.05463	0.6
93.07038	0.8
95.08600	1.0
95.25612	0.4
97.34679	0.4
105.07003	0.6
107.08567	0.6
119.08560	0.6
130.22772	0.5
149.13232	0.5
152.70142	0.4
178.24951	0.5
186.98396	0.4
201.96812	0.5
295.04575	0.5
393.26016	100.0
394.26385	7.1
396.29514	0.5
397.46002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12422	0.3
57.42813	0.4
70.56786	0.4
70.57095	0.4
80.14534	0.3
97.63908	0.4
107.63285	0.3
121.78421	0.4
181.48804	0.4
294.01276	0.4
317.69553	0.4
393.26035	100.0
394.26453	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	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36933	0.3
67.08646	0.3
69.51431	0.9
69.51791	0.5
87.11742	0.3
90.44763	0.3
123.42812	0.3
138.01225	0.3
195.20308	0.3
202.20621	0.3
205.05008	0.5
301.86313	0.3
328.52515	0.3
370.08984	0.3
393.26038	100.0
394.26373	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	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49737	2.8
55.05505	20.3
57.03414	4.5
57.07073	26.9
61.15440	2.6
62.64929	3.4
66.04704	3.0
67.05164	3.2
67.05499	42.1
69.03429	4.9
69.07069	28.5
70.06611	2.6
70.56028	6.6
71.08634	18.7
77.03914	4.9
79.05485	42.9
81.07049	79.9
82.02180	3.1
83.04977	5.7
83.08611	14.7
85.06510	5.8
85.10165	11.0
89.06054	3.6
91.05473	56.2
93.07036	77.7
95.04963	63.9
95.08598	60.0
97.06514	12.8
98.98460	28.4
103.05467	7.4
105.04542	4.1
105.06342	6.2
105.07024	100.0
107.08582	45.6
109.06505	14.7
109.10150	28.6
113.00014	32.4
115.05421	8.2
116.06166	5.5
117.07021	23.7
119.05974	4.2
119.08571	93.1
121.06539	21.9
121.10129	40.0
123.08051	8.6
123.11700	13.4
128.06218	11.2
129.06978	19.8
130.07782	10.4
131.08563	41.9
132.09433	3.0
133.06366	3.4
133.10126	50.9
135.08092	5.1
135.11676	19.4
137.09554	5.0
141.06935	5.8
142.07784	25.1
143.08572	33.4
144.09305	7.6
145.10100	67.6
146.10350	3.6
147.11673	20.6
149.09563	5.2
154.07744	5.1
155.01050	35.1
155.08521	14.4
156.09329	13.5
157.10121	51.7
158.10883	3.6
159.08073	6.5
159.11673	49.2
161.09590	16.1
161.13237	6.8
163.11021	4.2
165.06973	5.2
167.08533	7.4
168.09213	4.4
169.02591	25.2
169.10120	21.6
170.10890	5.4
171.11687	18.0
173.13196	15.2
175.11186	9.0
175.14796	15.6
178.07797	3.4
179.08537	7.6
180.09245	5.0
181.10086	15.8
182.10893	6.5
183.11665	22.7
184.12347	3.8
185.13194	9.8
186.14018	3.9
187.11180	7.2
187.14819	8.7
193.10181	5.6
195.11752	10.1
197.13239	13.9
198.13928	4.1
199.11057	3.4
199.14819	6.6
201.12642	4.9
201.16328	8.1
206.10899	3.5
207.11696	4.9
209.13206	13.8
211.14719	9.4
213.16254	3.5
219.17456	3.7
221.13271	5.2
223.14958	7.2
225.16356	6.2
235.14807	7.0
253.19424	3.7
265.19583	3.9
277.80228	3.0
304.26340	9.7
307.13806	3.6
316.83136	3.6
393.27695	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	393.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71240	2.1
54.75768	2.5
55.01866	9.0
55.05505	11.0
57.03431	38.1
57.06844	2.8
57.07074	25.4
59.32968	2.3
65.03922	3.1
67.05496	45.3
67.24248	2.3
69.03407	3.9
69.07057	11.9
71.04986	5.1
71.08624	18.8
71.90411	2.6
79.05482	18.3
81.07037	29.4
83.08620	10.7
85.06535	30.3
85.10175	8.6
89.06028	19.3
91.05467	18.6
93.07046	14.9
95.04965	51.3
95.08597	24.2
97.10149	5.4
98.98462	42.6
105.07019	12.0
107.04947	5.9
107.08595	12.3
109.06511	62.7
109.10174	9.0
111.08028	3.1
112.18891	2.4
113.05993	100.0
117.07004	7.0
119.08591	8.4
121.06555	3.0
121.10141	6.6
123.11660	3.3
128.06233	2.5
129.06981	5.1
131.08577	9.7
133.08601	9.4
133.10117	6.3
135.08038	49.9
135.11685	5.0
143.08505	5.1
145.10115	8.3
147.08029	4.2
147.11731	2.7
149.09589	5.8
151.09662	3.1
155.01018	61.1
155.46207	3.0
157.10155	9.0
159.11734	7.5
160.73857	3.0
161.09578	7.7
175.11214	2.9
186.27821	2.6
195.12318	20.4
199.14842	4.2
201.12724	3.0
217.15819	15.2
239.23732	3.7
255.17471	4.4
273.18420	26.1
289.12238	2.4
291.19519	72.6
337.20322	2.6
363.44446	2.9
375.28693	4.7
407.51898	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	393.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.0
57.07069	45.8
67.05488	1.0
69.07053	2.9
71.08622	29.1
71.42848	1.1
73.06542	4.0
79.05441	0.9
81.07056	1.5
83.08585	1.9
85.10172	20.5
86.06071	0.8
87.04465	2.8
89.06020	100.0
90.06342	2.2
91.05438	1.3
93.07032	0.9
95.08601	1.2
97.10173	4.0
98.98440	1.6
99.11727	3.7
105.07014	1.0
107.07057	3.3
109.10155	1.0
113.13255	1.1
119.08556	1.0
130.08635	2.0
133.08586	38.8
133.21419	0.8
138.93224	0.9
151.09612	2.3
155.01015	1.0
155.17912	2.7
177.11186	6.5
195.12193	2.4
199.20547	1.5
209.41063	0.9
239.14854	8.1
243.23056	1.2
317.51187	0.9
368.99149	1.0
393.25366	0.9
393.31854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
56.18116	0.8
56.32839	0.7
66.73950	0.8
69.03410	0.7
69.64845	2.9
70.06583	0.9
71.04976	0.7
73.02893	1.8
76.95209	0.9
79.05499	0.7
81.03423	0.7
84.08149	0.8
95.04970	1.2
97.02897	1.8
97.71050	0.9
99.04453	4.1
100.04803	1.2
101.00844	0.9
101.02377	2.5
101.05006	0.9
103.05471	1.3
107.04922	1.1
119.01927	0.7
121.05275	0.9
121.06479	2.5
122.06034	1.2
129.06966	3.5
132.04440	1.9
136.07591	2.4
141.06969	1.8
143.08534	2.2
146.06000	0.8
149.04744	2.1
149.05919	1.4
150.05508	1.5
151.03947	1.0
153.05518	0.9
153.06950	2.4
155.08524	3.6
157.06506	3.1
160.07587	1.5
164.07071	5.9
165.07071	2.1
166.88322	0.7
167.07176	1.4
167.08568	3.1
169.06488	1.9
169.10170	0.8
171.08072	3.8
173.06009	0.8
178.04967	1.3
179.08533	2.4
181.06483	7.7
181.10103	1.5
183.06618	0.9
183.08044	3.0
184.07538	1.1
185.05975	1.8
187.07491	1.1
188.10704	0.8
193.06462	1.3
193.10124	0.8
195.08014	7.7
196.07570	1.1
197.05960	1.6
198.09135	1.5
199.07487	5.2
207.08060	3.3
209.09592	3.1
210.09169	2.5
211.07536	3.5
212.10626	1.4
213.09114	2.1
216.10175	5.9
220.07567	1.2
221.06027	1.7
222.09113	1.6
223.04527	0.7
223.07603	1.9
224.10675	1.1
225.09158	1.5
226.08739	0.8
234.09129	2.5
234.11313	1.4
235.05168	0.9
235.07491	3.0
236.10687	1.0
237.09081	2.9
238.08698	2.1
239.06996	3.1
240.10226	2.3
241.08672	2.0
242.08202	1.1
243.06567	1.3
244.09673	2.6
245.05005	0.9
248.07265	1.0
248.10997	0.9
252.10159	4.3
253.08553	4.4
254.11641	1.5
255.10120	1.7
256.09689	1.6
257.07938	1.6
262.10834	1.2
263.06915	1.5
266.08023	1.8
267.06570	2.1
268.13370	0.9
270.11234	1.4
271.09579	1.3
280.09628	1.2
281.08002	1.2
284.09225	2.4
285.07556	2.3
294.11072	1.1
296.12830	2.5
298.10638	5.1
299.09061	6.2
301.84216	1.0
312.12244	1.5
313.10464	1.3
314.13730	3.7
316.11685	1.7
327.08725	1.5
330.13263	1.4
340.11771	1.0
344.11359	1.2
358.12747	9.2
362.12341	9.8
376.09155	1.0
376.13901	20.7
377.12418	1.3
394.14935	100.0
395.10248	0.7
395.15369	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	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60730	0.5
55.05256	0.6
55.05509	8.6
57.05815	1.0
69.03425	1.8
71.40680	0.7
72.08149	100.0
73.08485	1.0
78.04700	0.5
84.04488	0.7
85.02917	1.0
91.33559	0.5
94.93017	0.7
97.02881	2.5
98.54077	0.5
98.97583	0.9
115.03920	6.5
116.07084	0.7
118.08645	67.9
119.01928	0.6
119.04957	0.7
119.08985	1.0
123.28374	0.4
130.05017	1.3
131.01897	0.9
137.05988	1.6
143.01869	0.9
145.03465	1.2
147.04398	1.0
147.07559	0.7
161.02917	0.7
164.01285	0.5
169.03484	0.7
171.01476	0.5
173.03041	0.6
176.03368	0.6
177.30553	0.5
179.07030	0.6
185.03064	0.6
187.04478	1.7
189.00545	0.5
208.97234	0.7
219.01741	0.7
221.04712	0.7
240.06464	0.5
244.61177	0.5
245.05008	0.7
248.05458	1.6
250.89420	0.7
254.89061	0.5
275.02441	1.5
287.02222	0.6
317.07263	1.1
352.06210	0.6
352.94647	0.7
388.88251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.0
56.47345	2.1
56.96552	6.1
69.03427	3.2
70.06561	3.8
72.07777	4.5
72.08149	51.4
81.03384	3.5
85.02901	15.8
91.05466	11.1
97.02866	6.6
98.97579	11.5
107.04958	3.0
109.02876	2.8
116.98582	4.3
118.08665	2.7
119.04915	29.3
127.03847	2.4
128.98624	3.1
137.05956	100.0
139.89027	2.2
145.04922	2.8
147.04387	57.2
151.07594	3.3
163.02620	3.0
166.07265	10.6
179.07002	56.1
180.07401	4.1
190.05176	2.5
191.05922	5.8
197.08058	15.5
219.01691	4.1
244.11732	4.1
250.03842	3.2
262.12708	3.2
292.04642	3.2
313.51013	2.5
335.10196	10.5
353.11252	5.3
394.17276	3.4
395.09146	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	394.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
53.16493	0.9
54.35543	1.0
55.05500	9.1
57.05802	1.2
58.87344	0.8
69.03426	2.3
70.27521	0.9
70.95254	1.2
72.08144	100.0
73.83918	1.0
82.33499	0.9
85.02891	1.4
97.02876	2.4
98.23409	1.1
98.97556	1.6
115.03954	6.3
116.07039	1.0
118.08636	56.4
119.04875	1.2
119.08936	0.9
128.15182	1.0
137.05939	1.7
139.63815	0.9
147.04346	1.1
150.01950	1.0
166.27283	1.0
179.07036	1.9
189.02220	1.0
219.01740	1.2
239.04788	1.2
248.05377	1.7
320.48361	1.0
386.41476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25533	4.3
53.88835	3.7
54.63040	4.0
67.05500	6.0
69.29355	21.5
79.05518	5.1
81.07023	4.6
85.68474	4.0
91.05502	6.5
91.48905	4.1
95.08583	7.8
97.10196	4.1
107.04919	6.3
109.10123	13.9
111.25089	4.5
112.50729	4.5
121.06505	9.1
121.10107	4.2
137.06007	6.3
159.33720	5.0
163.03915	8.3
177.05415	5.4
191.03363	91.2
205.05019	31.0
209.04454	7.1
217.04993	4.4
221.04337	6.6
233.04475	40.0
233.08035	100.0
265.90390	4.9
359.14841	22.3
395.24835	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	394.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.0
69.07082	12.2
71.05862	10.3
73.29991	10.4
84.74424	9.9
100.07597	14.6
100.11260	36.4
125.09595	10.7
130.80786	10.9
162.03178	17.5
167.89075	9.8
168.13838	39.0
171.63931	10.3
182.15382	35.0
183.73698	9.8
190.02615	23.9
196.13382	31.9
204.18248	10.5
205.04906	100.0
210.14784	11.3
309.21625	17.3
327.15833	20.6
329.05023	16.9
331.54041	12.0
345.17163	19.0
378.21487	12.0
394.30545	28.3
395.24130	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01868	6.3
55.26252	0.9
69.03425	9.5
79.05476	1.4
81.03404	3.0
81.96543	0.9
85.02896	5.4
87.04459	5.4
91.04934	0.9
93.06919	0.9
97.02879	10.8
99.04420	1.6
109.02867	2.8
114.06397	1.0
115.03921	100.0
115.82602	0.9
116.04238	2.0
127.03931	4.7
133.04950	10.4
134.09688	1.2
145.04929	3.3
161.05942	1.3
203.99792	0.9
231.65152	0.9
239.68878	1.0
253.69162	1.0
255.92819	0.9
259.08099	6.6
277.09198	5.4
336.57437	1.0
394.34680	1.6
395.20465	2.8
401.44589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09744	5.1
55.05500	17.5
57.03424	10.2
67.05486	22.4
69.03410	9.2
69.07062	27.9
69.69083	20.5
73.67217	5.7
79.05466	10.6
81.07035	72.7
82.72758	4.8
83.08607	12.5
85.02899	24.8
85.06541	7.4
91.05470	20.3
93.07047	17.9
95.08593	84.9
97.02874	6.3
97.06509	14.9
97.10164	8.9
97.19270	5.6
99.08092	11.6
105.07025	21.1
106.75401	4.9
107.08596	9.7
119.08605	32.2
121.10152	10.8
133.10106	25.5
135.11664	18.7
137.13255	13.3
157.10118	6.1
161.13216	99.0
162.13635	7.3
170.79941	6.2
178.49286	5.1
179.14288	100.0
180.14696	6.8
197.15340	44.6
203.05327	10.0
204.05679	6.2
213.70901	5.3
313.07874	5.3
394.19217	60.4
395.19788	8.4
395.24307	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	394.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33974	3.3
57.07069	79.9
58.07398	3.9
62.71022	3.5
67.05476	6.1
67.30782	3.2
69.07050	8.1
69.25322	17.1
71.08620	67.3
81.07039	5.1
83.08582	4.2
85.10169	43.4
89.06017	100.0
95.08587	5.9
98.98444	13.4
99.11707	7.9
106.85052	3.4
107.07087	9.9
111.11736	3.8
113.00005	4.6
113.13271	4.2
133.08586	42.9
151.09641	4.8
155.01041	15.1
167.23073	4.2
175.75674	3.2
177.11205	10.7
195.12231	70.0
196.12685	3.4
217.32095	3.7
377.32590	35.0
394.26025	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	395.11
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54348	1.5
67.05496	3.1
69.96181	5.2
75.25008	1.6
79.05461	3.1
83.06100	3.0
84.04486	7.1
90.40006	1.8
93.07047	2.4
95.08606	2.1
98.22726	2.2
105.07026	2.6
107.08552	2.3
121.10107	3.4
130.63605	1.9
137.05927	2.1
146.03354	1.8
187.03625	6.3
193.51749	1.9
200.04385	13.7
201.05144	9.7
217.16891	3.0
218.05446	16.1
249.18481	4.0
253.02922	1.7
266.21133	2.4
312.44232	1.9
347.22293	2.0
365.10016	3.1
377.23837	2.1
394.31290	2.4
395.10953	100.0
395.19672	4.7
395.24268	2.8
396.11316	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	395.1122
Annotation	Justicidin C
Peak:m/z	Relative Intensity
66.91148	1.0
77.45586	0.8
81.07053	1.1
93.47587	1.1
95.08591	1.3
95.38436	0.9
98.23512	2.2
107.08541	1.1
117.03302	1.2
119.83972	0.9
121.02812	0.9
123.08022	1.1
123.43969	0.9
137.05940	2.4
145.02823	2.9
163.03868	1.4
175.07414	1.3
195.22305	0.9
199.07416	0.9
201.09129	1.1
205.06497	1.4
206.07239	1.5
207.08040	2.3
218.07234	2.0
219.08066	4.6
219.10040	1.3
220.08908	1.1
221.09596	1.2
229.08578	1.7
231.08112	1.8
233.06009	2.2
233.09525	1.5
234.06812	2.2
235.07550	4.0
245.05833	1.0
246.06767	1.7
247.07440	7.2
248.08313	3.0
249.09032	2.8
251.07021	1.6
257.08011	2.4
260.08331	2.0
261.05411	1.4
261.09152	3.1
262.06119	3.9
262.09592	2.2
263.07114	8.9
263.10028	1.6
264.07565	1.3
265.08490	3.0
266.93982	0.9
275.06873	5.2
276.07837	4.4
277.08646	5.4
278.05679	3.8
278.09354	3.6
279.06409	1.7
289.05341	1.3
289.08545	5.8
290.05661	4.1
290.09363	3.8
291.06458	4.8
291.10141	3.2
292.07196	2.3
292.10672	1.5
293.07886	3.2
293.11633	2.5
294.08881	1.3
295.09540	3.2
303.06418	2.9
303.23148	2.2
304.07239	3.3
305.08090	8.4
306.08795	4.5
307.06296	1.1
307.09601	3.6
308.10312	2.6
318.08603	1.1
319.05920	2.0
319.09473	16.9
320.10318	17.3
321.07404	3.7
321.11078	6.1
321.23969	1.1
322.08319	2.1
323.12738	1.3
332.06714	2.0
333.07452	3.5
334.08209	1.9
335.09109	4.2
336.09906	13.6
337.10635	1.8
346.08322	1.8
347.09232	4.2
350.07663	2.3
350.11462	3.8
351.12155	13.0
362.07544	1.1
363.08472	1.4
364.09378	6.0
365.10220	5.2
377.10110	1.5
380.09131	1.4
395.11182	100.0
395.27936	2.4
396.11514	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	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09363	0.5
50.24677	0.5
54.50307	0.6
55.15952	0.5
57.75234	0.5
62.85483	0.5
69.03410	0.9
85.02903	1.3
91.05476	1.7
97.02915	0.6
101.77556	0.6
119.04924	0.6
121.26584	0.5
122.60633	0.5
123.04362	1.3
131.08591	0.9
135.08046	1.5
141.83398	0.5
153.35767	0.6
159.08046	1.7
163.07477	0.7
185.04155	5.2
187.07509	15.5
215.07022	1.2
217.04642	1.1
232.07033	12.1
232.09288	1.0
233.04298	1.1
233.07849	13.0
234.07991	0.8
243.02948	1.2
245.04495	2.0
364.11261	2.0
383.08194	0.6
395.13071	100.0
396.13455	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	395.1697
Annotation	Queenslandon
Peak:m/z	Relative Intensity
53.00301	1.1
53.03931	1.3
65.03921	2.7
66.17868	0.8
67.05495	2.4
71.04989	1.3
79.05486	1.1
81.03406	3.4
81.07034	4.5
83.04990	1.0
86.09695	1.0
91.05459	1.1
91.22477	0.8
91.99597	0.9
93.03403	2.7
93.07018	2.9
95.01305	5.9
95.04967	2.3
95.08582	2.1
104.10733	1.1
105.07002	1.1
107.04952	0.8
107.08523	1.0
109.10152	4.3
111.04424	2.5
113.02355	4.9
119.08574	1.2
121.02859	3.9
121.10112	1.6
123.11694	7.3
124.99948	1.2
127.03918	5.5
129.52882	0.8
131.03395	5.0
135.11659	2.6
137.05927	1.0
139.03889	2.2
145.05020	1.3
149.02324	3.7
153.05435	5.0
153.12700	3.2
167.03378	81.4
168.03703	1.8
181.04936	26.3
182.05257	1.1
183.02795	1.1
184.07307	2.7
193.04842	0.8
195.02879	2.4
209.04424	59.6
210.04695	1.8
211.87529	0.8
223.02335	5.1
225.03986	1.4
228.55417	0.8
237.03905	100.0
238.04269	3.6
251.05411	2.4
255.05025	10.6
279.08362	1.0
291.08502	1.4
303.08701	2.3
307.11627	4.4
359.15036	6.5
370.09784	0.9
371.69009	1.0
377.15915	18.9
378.16220	1.6
387.88983	1.0
395.11179	2.3
395.16913	6.9
395.23911	13.2
395.28082	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03735	1.0
81.07025	0.6
86.09706	0.9
95.08628	0.5
98.23131	0.9
104.10746	0.8
105.07049	0.6
107.08518	0.4
124.99959	0.4
127.30186	0.3
150.50266	0.4
153.94333	0.4
184.07289	2.2
205.04990	0.4
213.96663	0.4
226.07806	0.4
276.53748	0.4
330.05185	0.7
344.87595	0.4
348.06427	0.5
395.23990	100.0
396.24307	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	395.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76815	0.5
69.61202	2.0
127.63923	0.5
395.27661	100.0
396.27988	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	395.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	2.6
70.24043	0.8
89.06017	2.7
90.06352	1.2
119.14536	0.9
123.08051	0.8
133.08621	1.1
137.93417	0.9
154.01941	0.8
179.14360	1.6
205.54028	0.8
260.05017	0.9
336.45697	0.9
387.66071	0.9
395.27661	100.0
396.27982	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	395.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62473	0.3
66.04148	0.3
69.47249	1.2
81.07037	0.4
91.05465	0.5
95.08614	0.3
98.23563	0.6
129.01738	0.3
182.48859	0.3
182.55399	0.3
199.23344	0.3
211.14659	0.4
225.81303	0.3
377.15326	1.1
395.27673	100.0
396.28012	6.9
404.39951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45159	0.3
60.51904	0.4
62.14304	0.3
65.18416	0.4
65.59643	0.3
66.59603	0.4
68.45760	0.4
70.72210	0.5
142.26883	0.4
177.23499	0.4
200.75771	0.4
205.52684	0.5
243.56311	0.4
268.84610	0.4
286.37219	0.5
395.27637	100.0
396.27924	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	395.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31953	0.4
51.99396	0.4
59.14797	0.4
67.05484	0.6
69.07056	0.5
69.59450	1.7
79.05475	0.6
81.07049	0.6
84.16783	0.5
91.05483	7.2
95.08627	1.0
106.06552	0.8
107.08646	0.5
108.08121	0.8
119.08611	0.6
121.10120	0.5
165.12772	1.7
205.04898	0.7
248.87828	0.6
331.99606	0.5
390.52682	0.5
395.27679	100.0
396.28119	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	396.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05007	6.6
56.70807	6.0
69.03410	8.1
69.23846	17.5
69.24254	18.0
81.07024	12.4
88.87124	6.8
91.05468	10.5
97.02817	7.5
120.14772	5.7
131.08496	10.8
137.05963	22.6
149.31638	6.4
152.09152	8.5
161.05939	7.6
195.45894	6.4
197.39603	6.3
216.28558	5.8
273.11215	8.7
294.94702	6.5
333.78790	6.7
396.24762	100.0
397.16364	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	396.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05007	6.6
56.70807	6.0
69.03410	8.1
69.23846	17.5
69.24254	18.0
81.07024	12.4
88.87124	6.8
91.05468	10.5
97.02817	7.5
120.14772	5.7
131.08496	10.8
137.05963	22.6
149.31638	6.4
152.09152	8.5
161.05939	7.6
195.45894	6.4
197.39603	6.3
216.28558	5.8
273.11215	8.7
294.94702	6.5
333.78790	6.7
396.24762	100.0
397.16364	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	396.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49777	0.5
69.85425	1.2
69.85817	0.9
85.40372	0.5
91.04819	0.5
91.05466	0.8
91.21856	0.6
110.84117	0.6
127.55553	0.5
183.27692	0.5
188.68542	0.5
280.68146	0.5
336.19531	0.5
346.94638	0.6
348.52567	0.5
395.27319	1.3
396.27902	100.0
397.25583	3.7
397.28577	1.8
411.00455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12241	1.0
53.75207	0.7
55.01855	1.2
55.05489	1.4
57.07059	1.6
65.03928	1.9
67.05482	3.4
69.07055	2.3
69.09935	5.1
71.04964	0.9
71.08626	3.0
79.05472	2.3
81.07043	4.1
91.05466	100.0
92.05816	1.8
93.07034	4.7
95.04944	4.3
95.08595	4.2
97.06504	1.0
105.07021	1.8
106.06544	12.4
107.08569	3.5
108.08099	18.1
108.08829	1.3
109.06480	6.4
109.10137	1.0
114.32508	0.7
117.07005	1.8
119.08566	1.9
121.06533	0.9
121.10152	1.4
131.08597	1.6
133.10081	1.4
135.08038	1.2
137.21213	0.7
145.10057	1.2
147.11707	0.9
149.13223	1.1
159.11455	0.7
163.11084	1.0
165.12723	24.5
166.13136	0.8
173.13176	1.5
175.11098	1.4
176.10715	0.8
191.14313	2.8
199.91011	0.7
201.12753	0.9
244.16855	1.2
271.20596	1.0
289.21521	2.8
298.21640	4.5
358.56619	0.8
378.27701	1.4
396.28864	11.1
396.34375	18.1
397.34387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00259	1.5
57.07066	35.9
63.86686	1.6
69.07045	2.6
69.99530	1.6
70.06583	2.6
71.08224	1.7
71.08617	27.7
73.06538	5.2
83.08601	2.7
85.10165	25.3
87.04470	1.6
89.06015	100.0
91.05460	2.6
99.11710	3.0
105.07035	1.4
107.07030	3.7
116.07064	1.9
133.08585	47.9
141.16341	3.3
151.09628	4.0
158.48027	1.4
159.23430	1.3
177.11169	9.0
185.18976	4.2
195.12154	2.7
207.34918	1.3
229.21672	7.4
239.14848	21.2
271.28415	1.5
273.24176	2.6
284.20325	1.4
335.27936	2.3
379.30423	23.0
396.34506	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	397.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87817	0.4
56.99374	0.3
69.11400	2.8
78.98031	0.4
81.86307	0.4
98.23510	0.8
133.02805	0.9
147.04413	0.4
178.05467	0.5
397.10999	100.0
398.11264	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	397.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
56.68093	0.7
58.82904	0.8
61.37266	0.6
64.59452	0.7
66.06146	0.7
67.05486	1.2
69.03423	1.9
70.03313	2.1
79.05490	1.2
81.07042	1.4
83.04953	0.8
84.40272	0.9
87.23609	0.7
93.06985	1.0
95.08609	1.8
97.02866	1.3
105.07020	1.3
119.08585	1.0
121.10071	1.2
123.04366	0.9
128.11308	0.8
133.10156	0.9
137.05965	2.9
145.10034	0.9
146.03365	1.1
149.09607	1.0
151.07378	0.7
162.23665	0.9
175.07463	1.1
187.03625	5.1
201.05257	4.1
202.05986	62.0
203.06508	1.7
207.75104	0.7
213.09071	1.1
215.16510	0.7
218.05472	5.1
221.22762	0.7
235.16853	1.1
353.13760	1.0
367.11517	5.9
379.11365	3.4
397.12521	100.0
397.17578	6.9
398.12924	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	397.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.0
59.19653	0.7
67.05486	1.3
68.51092	0.8
69.03409	1.2
71.44202	0.7
78.04688	1.8
79.05493	5.1
81.03391	1.0
81.07053	2.0
84.04478	1.3
85.02883	1.2
91.05457	5.7
95.04958	3.3
95.08620	1.0
97.02864	0.9
103.05453	2.6
105.03358	1.2
105.07014	1.9
106.04159	2.1
107.04932	1.9
115.05392	1.4
117.06965	1.1
119.04925	4.6
119.08539	0.8
119.70466	0.8
121.06488	2.0
122.03627	2.8
123.04422	4.6
124.05242	1.0
125.80047	0.7
128.06209	3.0
129.06985	5.9
131.04933	1.7
131.08540	2.4
132.04422	2.0
133.03018	4.0
133.05212	100.0
133.10114	1.2
134.03653	0.7
134.05885	2.8
137.05956	36.3
141.07002	2.3
142.07753	0.9
143.08588	1.2
144.05669	1.6
145.06503	1.5
147.04393	4.3
148.05186	1.5
149.05931	1.6
151.03880	3.2
151.07530	3.7
152.04668	1.3
152.06087	0.7
155.08537	1.8
156.05742	1.2
157.06456	7.6
158.05980	4.0
158.07178	1.2
159.08022	2.8
160.03967	0.9
161.05984	5.4
161.09596	1.0
163.07549	0.8
165.07016	2.0
167.08488	0.9
168.05656	1.7
169.06433	1.8
170.07263	0.9
171.08003	2.0
172.08806	1.7
173.09613	1.6
174.06766	0.8
175.07532	2.3
181.06487	0.8
182.07175	1.7
183.04454	1.4
183.08084	1.3
184.05229	1.3
184.07524	2.3
184.08951	1.5
185.05959	2.0
185.09578	3.8
186.05438	7.0
186.06761	1.0
186.27579	0.7
187.07501	3.3
187.11177	0.9
191.07042	2.0
195.08069	1.3
197.09552	3.5
198.06744	5.8
199.07510	3.8
201.05383	1.5
201.09122	1.7
202.07773	0.8
203.08504	1.0
210.06705	1.3
211.07582	1.2
212.08315	1.4
213.05569	0.8
213.09039	9.2
215.10672	3.4
217.12086	1.7
225.09126	4.9
227.10846	0.7
228.06401	1.4
229.04825	1.2
231.08055	1.0
231.10101	1.0
233.09665	1.6
243.08006	1.0
243.10175	7.6
245.09703	1.4
246.10252	0.8
247.07552	1.0
248.08411	0.8
249.09160	0.8
255.10185	2.6
257.09616	1.7
259.07593	0.9
260.08292	0.9
261.09174	3.3
263.07101	0.8
263.10809	0.9
265.08911	0.8
270.09143	1.7
271.07507	1.6
272.08481	1.1
273.11203	26.1
275.10709	1.3
276.07779	1.5
277.08612	1.9
287.10611	1.0
288.07492	1.0
288.10330	1.8
289.08575	2.3
289.12183	1.3
290.09402	1.1
291.10126	2.2
292.07281	1.2
293.08020	1.7
293.11438	0.9
294.08591	0.9
301.08432	0.8
302.09326	0.7
303.10159	2.3
304.11130	0.9
305.08148	1.2
305.11658	2.3
307.09637	4.5
308.10257	2.0
313.63113	0.7
315.10034	0.9
316.09601	5.2
317.11728	1.8
320.10413	1.6
321.11136	3.1
330.86414	0.7
333.11252	1.6
334.10941	1.5
335.12738	1.9
336.13455	1.1
347.12854	0.9
349.14240	3.5
351.12338	5.1
351.16223	1.0
352.11734	23.8
353.13138	0.9
354.14575	6.2
361.14426	1.7
362.10272	1.5
367.15329	1.2
379.15302	5.1
380.11270	5.8
397.16400	38.0
398.16693	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.75925	1.5
55.81432	1.6
58.04561	1.4
59.21983	1.6
67.03017	1.6
70.56904	2.6
78.04697	8.8
79.05460	4.0
84.33955	1.3
95.04964	1.8
95.21916	1.7
98.02378	2.4
103.05454	1.8
105.03378	7.1
105.06948	1.6
106.04140	15.8
107.04939	5.4
107.71737	1.5
108.05750	1.6
115.05451	3.0
117.07014	3.5
118.06537	3.8
119.04922	3.0
121.02841	2.6
122.06025	10.2
123.06826	2.1
124.05180	5.8
128.06195	10.4
129.07005	11.7
131.04921	5.2
133.02834	100.0
133.05159	6.0
134.03621	41.3
134.05974	2.3
141.06969	6.1
145.06468	6.9
146.05986	23.2
146.07040	2.7
147.04388	5.3
150.05478	12.7
151.03819	1.9
151.06245	28.7
155.04901	3.8
155.06027	1.8
156.05713	3.1
157.06465	14.8
159.04430	8.0
168.05708	5.4
171.04326	10.8
172.07567	2.9
173.05981	5.9
175.07460	1.8
182.05968	3.4
183.04402	6.0
184.05136	5.6
184.07538	3.4
185.05969	8.4
187.03909	2.8
189.05496	2.3
197.05988	2.3
199.03947	4.6
200.07071	4.9
201.05479	6.7
202.06079	2.3
202.07848	6.0
203.08557	1.9
211.03903	2.9
212.04738	4.4
212.07066	2.0
213.05379	4.6
215.03391	1.8
215.08542	10.2
217.10101	5.6
219.07993	3.6
226.07846	3.9
227.08517	4.3
228.09151	2.1
229.04932	8.9
229.07066	2.7
229.10020	2.5
230.05666	2.3
230.07877	2.1
231.08075	9.1
232.08676	1.7
233.09550	4.6
234.06866	1.9
242.07179	2.9
243.08067	8.4
244.08783	2.5
245.09602	13.0
246.07454	3.1
247.07716	5.8
249.05472	1.7
255.08072	8.9
256.08383	2.5
260.10703	2.5
261.09161	6.7
263.10812	2.0
270.09183	4.4
271.07495	23.8
272.07953	3.0
272.10812	2.2
273.09030	13.7
274.08893	2.9
284.08057	1.6
288.09970	7.8
289.08511	26.8
290.08755	2.3
291.10077	2.4
298.08514	3.7
299.06949	22.8
300.10254	2.4
301.08582	10.0
302.08395	3.4
316.09628	12.1
317.07983	27.1
318.11145	3.0
326.08185	2.9
327.06418	3.3
334.10550	10.3
344.09097	13.2
345.07718	3.4
362.10269	6.4
380.11078	2.9
397.10382	76.0
398.11075	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	397.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07312	1.5
55.01863	1.7
57.50642	1.4
61.02904	1.5
69.03391	2.1
70.06585	3.7
70.92200	2.5
73.02905	4.1
76.74587	1.4
81.03409	2.1
85.02903	3.4
86.09707	3.0
91.05486	5.4
97.02902	2.9
98.09682	5.1
103.05433	3.9
105.03407	2.4
107.04945	5.6
112.70228	1.6
115.05491	1.9
117.05753	1.7
117.07039	2.1
118.06523	36.1
118.07300	3.3
119.04920	8.2
121.02872	2.8
127.03926	3.1
128.06281	1.8
129.06996	8.5
130.06517	5.9
131.04933	10.1
133.02834	16.9
134.06020	2.2
137.05978	10.5
141.06963	2.0
142.06569	2.1
145.04936	2.6
145.06479	6.9
146.05984	31.5
147.04424	9.9
150.05537	1.9
157.06465	5.1
159.04388	4.2
161.05971	4.4
163.07571	1.7
169.06500	2.3
170.06023	2.3
171.04425	1.8
172.07579	2.4
174.05562	4.7
175.03973	2.1
175.07608	2.6
179.07060	6.3
183.06708	1.8
184.07542	3.9
185.05975	15.8
187.03885	9.0
191.08582	3.1
193.23105	1.6
196.07549	3.1
198.05475	13.6
202.07661	9.3
203.08580	7.1
205.10139	2.5
209.06079	1.6
213.05493	3.4
215.08508	10.0
217.10168	2.4
218.07303	3.3
218.09639	4.0
219.07941	8.1
221.09564	3.1
227.08548	2.5
229.10094	1.9
230.09773	1.7
231.08011	100.0
232.08586	7.0
233.09627	16.6
243.08136	5.5
244.08838	4.2
245.09586	24.8
246.09148	20.3
247.07523	19.9
247.11313	4.0
248.08301	2.9
249.09082	12.5
255.07993	5.8
256.07730	2.1
258.09189	2.7
259.07437	9.1
260.10663	3.1
261.08997	4.4
263.10593	1.8
264.10150	2.0
270.09109	5.0
271.07468	6.9
272.10724	3.6
273.09033	17.4
274.08560	20.8
275.06973	6.3
276.10107	7.5
277.08603	5.6
288.10117	10.7
289.08594	7.1
290.11789	6.6
291.10294	6.8
292.09576	7.4
293.08060	4.1
294.11270	3.7
298.08609	3.6
299.06952	2.8
300.10132	4.8
301.08435	4.2
302.08099	33.8
303.06247	7.8
306.11118	1.7
308.12836	2.2
316.09592	12.6
317.08109	4.8
318.11139	4.4
319.10205	5.9
320.09064	11.9
326.07874	2.2
334.10672	12.4
335.09076	3.7
344.09055	13.3
362.10211	23.4
369.11597	4.6
380.11301	4.9
397.14581	35.5
398.14322	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	397.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20610	0.7
53.41943	0.7
55.05502	1.9
55.75674	0.8
69.07053	1.2
70.62786	0.8
76.57948	1.0
79.05502	1.8
81.07051	2.4
83.04985	1.2
85.02907	1.1
91.05485	2.1
93.07034	1.4
94.06547	2.2
95.04939	0.9
95.08592	2.2
105.07035	3.0
107.08601	1.5
109.10168	1.7
117.07009	0.9
117.15632	0.8
119.08609	1.5
119.84605	0.9
128.06235	0.9
129.06970	1.0
131.08591	0.9
133.10094	1.9
135.08081	1.1
136.07579	1.4
137.05963	5.2
138.09148	1.6
142.17424	0.7
143.08601	0.9
145.10139	1.0
151.07552	1.3
161.05963	2.3
161.09639	1.2
172.09792	1.6
175.07532	1.3
185.04234	3.9
199.07649	1.3
211.18404	0.9
213.09140	1.9
228.42258	0.9
235.09386	100.0
235.13240	2.5
235.16876	6.2
236.09787	3.5
273.11346	2.5
354.14832	1.4
367.16043	1.1
397.14746	49.8
397.25961	1.7
398.15030	3.5
398.21866	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	397.1466
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
55.01867	1.0
57.03426	2.3
57.36793	0.7
61.02908	2.2
65.65182	0.7
69.03418	4.2
69.07049	1.9
69.39793	3.8
70.06561	1.8
71.01353	1.0
72.08146	1.2
73.02906	8.3
74.17073	0.7
79.05486	1.0
81.03414	1.2
81.07037	0.9
83.39914	0.8
85.02890	11.6
89.92377	0.7
93.07037	1.6
95.04960	1.3
97.02864	5.5
97.06519	0.7
99.04453	0.9
103.03881	0.9
109.02869	1.3
111.08060	0.9
115.03943	3.3
119.04905	1.6
119.51196	0.7
121.02847	1.1
125.81410	0.7
127.03902	4.9
133.04935	3.8
135.08032	1.4
136.08418	1.3
137.06001	1.5
145.04939	6.4
147.04381	4.1
163.03889	2.8
163.06001	3.8
179.07005	1.4
183.10277	1.0
185.04205	2.5
188.11687	0.8
190.04854	1.3
213.11287	1.0
219.06274	0.7
223.05919	0.9
234.08611	7.4
235.05748	9.1
235.09387	8.2
236.12740	1.2
241.07094	0.8
259.07950	1.3
397.14697	100.0
398.14990	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	397.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03426	2.3
57.36793	0.7
61.02908	2.2
65.65182	0.7
69.03418	4.2
69.07049	1.9
69.39793	3.8
70.06561	1.8
71.01353	1.0
72.08146	1.2
73.02906	8.3
74.17073	0.7
79.05486	1.0
81.03414	1.2
81.07037	0.9
83.39914	0.8
85.02890	11.6
89.92377	0.7
93.07037	1.6
95.04960	1.3
97.02864	5.5
97.06519	0.7
99.04453	0.9
103.03881	0.9
109.02869	1.3
111.08060	0.9
115.03943	3.3
119.04905	1.6
119.51196	0.7
121.02847	1.1
125.81410	0.7
127.03902	4.9
133.04935	3.8
135.08032	1.4
136.08418	1.3
137.06001	1.5
145.04939	6.4
147.04381	4.1
163.03889	2.8
163.06001	3.8
179.07005	1.4
183.10277	1.0
185.04205	2.5
188.11687	0.8
190.04854	1.3
213.11287	1.0
219.06274	0.7
223.05919	0.9
234.08611	7.4
235.05748	9.1
235.09387	8.2
236.12740	1.2
241.07094	0.8
259.07950	1.3
397.14697	100.0
398.14990	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	397.1642
Annotation	Predurallone
Peak:m/z	Relative Intensity
55.05482	0.9
56.92956	0.9
58.38221	0.8
67.05503	1.6
69.03433	1.3
74.07487	0.9
79.05490	3.2
81.03427	1.0
81.07059	2.8
84.04480	2.0
91.05467	5.4
91.69293	1.0
93.07042	1.6
94.04176	2.7
95.08592	1.9
103.05447	0.9
105.07020	3.4
107.04908	1.0
107.08588	1.1
109.06496	1.2
111.04418	1.1
115.05470	1.0
117.06966	1.3
119.04973	2.6
119.08555	1.8
122.03645	5.5
128.06213	2.5
129.06992	4.6
131.08563	2.8
133.10136	1.9
137.05959	67.4
138.06306	2.1
141.06995	1.9
142.07745	1.9
143.04904	1.0
143.08560	2.6
145.06468	1.5
147.04375	2.8
149.05942	2.4
149.13248	1.6
151.03868	2.0
151.07538	3.9
153.06921	2.2
154.07727	1.4
155.08531	5.0
156.05690	1.0
157.06454	2.3
159.08031	3.6
161.05981	5.7
161.13284	1.2
163.07477	1.2
165.07039	2.6
167.08578	2.7
169.06436	1.3
171.08060	3.8
172.08801	1.0
175.07593	1.2
175.11084	0.9
181.06425	2.7
182.07291	1.7
183.08063	3.5
185.09601	2.3
187.07527	2.5
189.09189	0.9
191.06944	1.1
195.08072	2.3
197.09570	1.5
198.06775	3.3
199.07544	3.7
200.08499	1.1
201.09134	3.9
202.07744	3.5
203.08572	1.4
203.10652	1.7
210.06807	0.9
211.07585	2.0
212.08250	1.8
213.09058	5.4
215.08617	2.0
215.10771	3.1
216.09369	1.5
217.10123	4.2
218.10838	1.2
219.08009	1.2
225.09076	2.7
226.07678	1.2
227.10701	1.5
228.09285	1.1
229.10106	3.9
231.08037	3.7
231.10173	3.8
232.08905	1.9
233.09517	2.5
235.07402	1.0
239.08665	1.1
242.07269	1.1
243.07921	2.0
243.10175	2.7
244.08861	2.9
245.09581	6.6
245.11781	1.5
246.10333	1.7
247.07600	3.0
247.11110	1.8
248.08067	0.9
249.09216	1.0
255.10228	1.0
256.08847	1.1
257.09561	6.2
258.10345	2.6
259.07581	1.2
259.11288	1.9
260.08234	1.1
261.09119	3.0
262.09875	1.5
263.07300	1.1
263.10526	1.0
269.09583	3.0
271.07520	3.4
273.08969	2.9
273.11456	4.8
274.09866	3.5
275.07324	1.4
275.10669	3.5
276.11343	1.0
277.08646	1.8
277.12225	6.0
279.13843	1.5
285.09082	6.0
286.09854	3.9
286.68930	1.0
287.10580	2.2
288.07834	1.4
289.08698	1.9
289.12238	3.0
290.09344	2.4
291.10123	2.6
293.08292	2.0
293.11591	1.6
297.09024	1.3
299.10889	1.0
301.08658	2.4
301.12155	2.0
302.09302	3.1
303.10248	5.2
304.10861	2.1
305.08411	1.6
305.11459	4.8
306.09015	1.8
307.09869	2.1
307.12967	1.9
309.11142	1.2
314.09579	1.4
315.10074	1.5
316.10730	1.4
317.11783	5.0
318.12256	1.4
319.09613	2.5
319.13382	2.4
320.10187	1.6
321.11292	2.6
321.14810	1.1
322.11911	1.3
329.11688	3.2
331.09677	1.8
333.11185	3.7
334.12048	1.4
335.12646	4.8
337.14188	2.6
346.11981	2.0
347.12750	3.0
348.13586	1.2
349.14352	5.3
351.12115	1.7
358.74493	0.9
361.14355	2.9
366.14685	1.2
367.15466	5.9
379.15344	7.1
397.16431	100.0
398.16794	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	397.1642
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
50.53212	1.0
55.91392	1.0
69.31298	5.9
71.40407	1.1
79.05480	4.5
81.07039	2.0
89.03893	2.2
91.05463	14.0
94.04184	3.2
95.04948	2.7
97.82115	1.0
103.05447	2.5
105.07036	3.1
107.04941	1.8
109.06446	1.6
115.05440	2.9
117.07010	1.6
119.04932	8.9
119.08570	1.4
121.06525	2.4
122.03646	10.1
125.05951	1.4
125.24474	1.1
128.06209	4.5
129.06987	8.2
131.04930	2.7
131.08556	4.4
133.02843	1.2
133.05209	12.1
133.10141	1.4
137.05957	100.0
138.06279	2.6
141.06969	5.7
142.07758	2.2
143.08493	3.1
144.05688	3.0
145.06477	2.8
147.04388	4.2
147.07988	1.1
149.05954	7.5
151.03920	2.2
151.07516	12.8
152.06201	1.9
153.05560	1.3
153.06979	3.8
153.13519	1.1
154.07774	2.2
155.08557	4.9
157.06461	4.1
157.10075	2.5
158.07301	3.7
159.08072	6.6
161.05946	13.3
161.09627	2.9
162.06514	1.1
163.07541	1.7
165.06966	5.9
167.07054	1.2
167.08501	3.3
168.05685	2.3
169.06430	3.8
169.07704	1.6
170.07307	2.2
171.08035	4.8
172.08844	4.7
173.09579	3.5
174.06750	1.2
175.07512	6.3
181.06422	2.9
182.07271	7.7
183.04427	1.1
183.08025	4.8
184.05281	1.9
184.08842	3.5
185.05994	2.1
185.09578	12.3
186.06812	1.8
187.07523	7.6
187.11188	3.0
189.09055	5.7
189.12729	2.0
191.07030	5.5
194.07265	3.5
195.08034	2.8
197.05890	2.2
197.09587	11.4
198.06721	18.4
199.07510	12.6
200.08264	4.1
201.09114	5.5
202.07764	1.3
203.08577	2.7
205.08504	1.7
208.08714	1.3
209.09677	1.4
210.06755	4.1
211.07471	5.8
212.08258	5.6
213.09068	27.4
215.08624	2.6
215.10680	7.7
217.08588	3.2
217.10373	2.0
218.07388	1.8
219.08127	1.5
219.10223	1.2
222.06627	1.3
225.09065	15.3
226.09575	1.7
229.08412	2.9
229.10329	2.6
231.08023	2.7
231.10071	1.8
232.08780	2.3
233.09476	2.1
235.13072	1.5
235.16934	1.4
242.09488	2.0
243.08000	2.2
243.10115	23.5
245.09589	3.4
245.11707	3.3
246.06819	1.7
246.10207	1.6
247.07553	1.7
248.08325	1.5
249.08986	2.3
251.06950	1.5
255.07895	1.1
255.10283	8.2
257.09665	2.4
258.06708	2.0
258.10464	1.7
259.07550	1.8
259.11230	2.2
260.08224	3.3
261.09161	5.8
262.09894	1.5
263.06970	1.8
263.10590	1.5
264.07721	2.9
265.08578	2.4
271.07504	3.5
273.11218	75.1
274.06702	1.2
274.09396	1.2
274.11914	2.1
275.10730	4.4
276.07785	5.1
276.11295	1.2
277.08597	6.0
277.12192	3.7
278.09326	2.6
279.09970	1.6
285.09079	3.6
287.10535	1.5
288.07877	2.5
289.08594	4.3
289.12012	2.3
290.09290	2.2
291.10074	8.8
292.07166	3.1
292.10541	1.6
293.08084	2.9
293.11777	3.2
294.08698	1.4
301.08685	3.7
302.09546	2.6
303.09918	6.0
305.08282	1.8
305.11707	4.3
306.09076	1.3
307.09665	12.4
308.10330	7.0
309.11212	2.3
314.09256	1.3
317.11597	4.3
318.12354	1.2
319.09619	3.0
319.13165	1.9
320.10425	3.1
321.11179	7.3
322.12003	2.4
323.35358	1.3
325.10654	3.6
331.09921	1.8
333.11124	3.3
334.11990	1.7
335.12683	8.9
336.13321	2.1
337.14182	2.4
339.12039	2.1
349.14273	9.0
351.12210	11.0
351.15891	1.7
352.11978	2.6
353.13873	3.2
354.14566	20.9
354.18698	1.5
355.14896	2.0
360.13550	1.3
361.14304	3.4
365.13699	1.2
366.14523	2.0
367.15335	4.7
379.15384	15.1
380.11261	1.6
397.16449	91.4
398.16776	8.5
398.21783	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	397.1643
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
54.58337	1.4
55.05484	1.4
57.29114	1.2
63.91601	1.3
65.03921	1.4
67.05495	3.7
69.27927	5.6
69.28345	3.2
70.06580	3.2
79.05499	2.4
80.57903	1.4
81.07061	2.5
82.86302	1.4
91.05484	12.9
93.07063	2.0
95.04948	2.8
95.08628	2.6
103.05458	4.0
105.07045	6.6
107.04956	1.4
115.05458	3.2
116.06268	1.4
116.07050	2.1
117.06960	2.0
119.04923	5.8
119.08563	3.3
121.10191	1.7
122.03643	5.6
128.06215	4.7
128.78702	1.3
129.06984	7.5
131.08537	6.8
133.06569	2.0
133.10133	2.9
133.40538	1.2
137.05963	83.0
138.06320	1.4
141.06995	3.3
142.07777	3.2
143.08548	3.4
144.05696	1.8
145.06497	4.2
145.10077	2.3
147.04431	3.5
147.11714	1.4
149.05994	4.8
149.13318	1.5
151.07513	8.6
152.06139	1.8
153.06923	2.3
155.08540	5.6
155.62761	1.5
157.06509	3.2
157.10129	2.4
158.07275	3.2
159.08008	7.0
161.05966	14.0
161.09636	3.5
161.13211	1.5
163.07455	1.8
165.06993	4.8
167.07079	1.6
167.08577	2.3
168.10173	2.9
169.06442	3.3
170.07271	3.2
171.08044	4.5
172.08757	3.3
173.09567	3.0
175.07567	4.4
181.06354	3.0
182.07288	5.3
183.08061	2.2
184.08913	1.9
185.05959	2.4
185.09607	9.4
186.06804	2.4
187.07559	6.4
189.09048	1.9
191.07034	6.0
194.07298	2.9
195.07918	1.7
197.05948	2.2
197.09601	8.3
198.06726	13.9
199.07454	8.4
200.08235	2.2
201.09108	5.0
203.08493	1.9
205.08516	1.6
210.06676	3.0
211.07564	4.8
212.08347	4.4
213.09068	20.7
215.08667	2.7
215.10686	8.1
217.08473	2.3
217.10292	1.7
224.08371	1.6
225.09055	9.3
229.10272	1.9
231.08051	3.5
233.09386	1.8
242.07219	2.1
243.10144	17.8
244.08727	2.2
245.09619	5.4
245.11812	2.5
246.10336	2.3
247.07658	3.0
248.08395	1.9
255.10191	4.7
257.09702	4.1
258.06744	2.1
259.07504	3.1
260.08441	3.0
261.09155	5.4
262.09848	1.7
263.07086	1.9
263.10681	2.9
264.07855	3.0
265.08533	3.0
269.09497	1.7
271.07443	3.5
273.11230	58.1
274.09399	1.8
275.10605	3.2
276.08051	2.1
277.08627	4.0
277.12061	2.2
278.08978	1.5
285.09091	3.6
289.08640	3.3
289.12411	3.1
290.09326	2.1
291.10092	9.8
292.07401	1.7
292.10706	2.1
293.11530	3.0
301.08804	1.8
303.10178	5.2
305.11346	3.2
307.09552	10.5
307.12665	2.1
308.10229	5.0
309.10928	2.6
316.10995	1.7
317.11728	3.1
319.09805	2.7
319.13269	1.7
320.10413	2.2
321.11176	5.7
325.10663	3.2
331.09579	1.9
333.11243	3.3
335.12756	7.7
336.13571	3.3
337.14584	2.1
339.12381	2.3
346.11938	1.8
349.14349	5.7
351.12280	8.9
352.12064	3.2
353.13873	2.5
354.14569	17.4
361.14020	2.0
362.10236	1.9
366.14545	2.0
367.15469	3.9
379.15393	14.6
380.15765	2.0
397.16443	100.0
398.16724	6.4
398.26813	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	397.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80354	1.1
65.03919	1.9
65.93484	1.4
67.05488	1.6
69.03426	2.6
69.07034	1.0
70.06567	3.3
71.44602	1.0
77.06969	1.1
79.05470	3.0
81.07051	2.9
83.04950	1.4
85.02892	1.5
91.05468	14.3
93.07018	1.1
94.04189	3.7
95.04974	2.1
98.45905	1.0
103.05443	4.0
105.07022	4.5
107.04972	2.8
109.06516	1.9
112.05214	1.3
115.05460	3.2
116.06221	1.9
117.06997	2.4
119.04910	8.7
119.08598	1.8
121.06486	1.2
122.03664	8.6
124.05278	1.1
128.06201	4.7
129.06961	6.6
131.04872	2.4
131.08551	5.8
133.10147	1.4
135.04440	1.9
137.05959	100.0
138.06320	2.2
141.06935	4.1
142.07739	2.9
143.08516	2.4
144.05647	4.1
145.06445	3.1
145.10202	1.5
146.07231	1.2
147.04398	3.7
147.08040	1.4
149.05940	6.2
151.07535	12.3
152.06174	2.4
153.05444	1.4
153.06970	3.1
154.07750	3.0
155.08504	6.6
156.05652	1.1
156.09377	1.5
157.06436	3.0
157.10132	2.0
158.07243	3.3
159.08089	6.6
160.08763	1.0
161.05975	16.7
161.09630	3.0
163.07562	1.5
165.06996	5.4
166.07652	1.0
167.07146	1.7
167.08592	3.8
168.05721	1.6
169.06512	5.1
169.37968	1.0
170.07234	3.7
171.08017	7.0
172.05263	1.4
172.08774	4.3
173.09544	1.6
174.06729	1.5
175.07545	5.4
181.06467	3.5
182.07240	9.0
183.08029	5.0
184.05286	1.9
184.08797	4.9
185.05969	2.6
185.09589	13.9
186.06767	2.1
187.07536	7.6
187.11153	3.1
189.07353	1.1
189.09082	3.2
189.12770	1.6
191.06970	5.8
193.06419	1.4
194.07239	2.3
195.07988	2.5
197.05957	3.1
197.09579	10.3
198.06737	22.4
199.07468	12.3
199.11186	2.6
200.08260	4.2
201.09041	5.2
202.07770	1.5
203.08611	2.2
203.10620	1.5
209.09576	1.7
210.06686	4.1
211.07550	5.9
212.08229	4.1
213.09073	26.8
214.09639	2.2
215.08650	1.5
215.10529	9.0
215.94243	1.3
216.09338	1.8
217.08543	2.6
217.12221	1.9
218.07147	1.5
219.07785	1.1
221.09674	1.1
225.09058	14.5
226.09711	1.3
227.10643	2.4
228.07616	2.4
229.08278	1.8
229.10204	3.0
231.08018	3.5
231.10110	2.2
232.08815	2.1
233.09515	1.7
237.09081	1.9
241.08382	1.2
242.07089	1.6
242.09389	3.4
243.07816	2.4
243.10127	22.4
244.08554	1.4
245.09508	4.3
245.11745	4.2
247.07492	2.9
247.11017	1.3
248.08360	2.2
255.10136	6.8
257.09634	3.4
258.06464	1.0
258.10526	1.2
259.07550	2.5
259.11237	1.3
260.08240	1.7
261.09091	5.1
262.09561	2.1
263.07089	2.1
264.07892	1.6
265.08728	1.8
269.09573	1.1
271.07440	2.0
273.11206	87.9
274.11829	2.0
275.06982	1.7
275.10565	5.4
276.07788	2.0
276.11261	1.0
277.08493	4.0
277.12070	2.5
278.09402	2.6
285.08969	3.4
286.09705	1.5
288.07858	2.0
289.08582	4.4
289.12149	4.2
290.09308	1.7
291.10263	5.9
292.07507	1.9
292.10718	3.0
293.08032	3.6
293.11591	3.2
296.10373	1.2
301.08530	2.9
302.09259	2.6
303.10062	4.8
305.08142	2.3
305.11679	3.8
306.08710	3.1
307.09619	8.9
308.10284	4.0
309.11075	2.1
315.10129	1.7
317.08044	1.9
317.11664	5.1
318.12265	1.7
319.09659	2.7
319.13202	2.2
320.10318	2.0
321.11206	8.0
322.11768	2.9
325.10648	3.1
333.11163	3.2
334.11816	2.4
335.12613	6.7
336.13229	2.2
337.14386	1.5
339.12015	2.5
349.14355	7.8
351.05414	1.2
351.12350	7.5
353.13708	3.2
354.14609	14.4
361.14053	1.3
366.14633	1.6
367.15298	5.8
373.77887	1.2
379.15393	10.2
396.24835	1.3
397.16385	88.4
397.24954	6.9
398.16522	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	397.1643
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
54.15856	0.9
55.01859	1.6
57.03418	1.0
58.81366	1.0
65.03918	1.5
67.05479	2.4
69.03414	1.5
69.25912	2.5
69.26311	2.7
70.06552	0.9
77.03959	1.2
79.05463	2.7
81.07040	2.2
91.05458	10.2
94.04166	3.2
95.04954	2.4
97.02891	1.1
103.05444	2.7
105.07019	3.1
107.04874	2.2
109.06475	1.7
111.04390	1.4
115.05432	2.2
117.06968	1.3
118.82991	1.0
119.04922	7.0
121.06426	1.2
122.03640	6.7
128.06203	4.7
129.06984	7.6
130.07703	1.1
131.04887	3.5
131.08542	5.3
133.06432	1.2
135.04401	1.4
137.05956	100.0
138.06313	2.0
141.06966	4.1
142.07722	2.8
143.08522	2.1
144.05667	2.8
145.06425	2.1
146.03529	1.6
146.07170	1.0
147.04398	4.2
147.08115	1.2
149.05942	4.2
151.03857	1.4
151.07512	10.2
152.06210	1.6
153.06995	2.4
154.07787	2.4
155.08513	4.1
157.06454	3.4
157.10100	1.6
158.07242	4.0
159.08044	6.5
161.05949	14.9
161.09587	3.8
163.07550	2.1
165.06953	6.1
167.08528	2.4
168.05626	1.3
169.06448	2.9
170.07159	1.9
171.08038	4.8
172.05098	1.1
172.08751	4.6
173.09558	3.0
175.07491	4.8
175.11165	1.2
181.06491	2.9
182.07216	8.4
183.04361	1.1
183.07996	6.5
184.05241	2.0
184.08813	4.5
185.05962	2.9
185.09586	12.5
186.06813	2.5
187.07515	9.4
187.11133	2.4
188.78839	0.9
189.05646	1.1
189.09090	3.6
189.12730	2.5
191.07022	5.9
194.07196	2.9
195.07985	3.0
197.05901	2.6
197.09605	12.5
198.06714	17.5
199.07506	12.4
199.11070	1.7
200.08286	4.1
201.09131	6.5
202.07840	1.3
203.08612	1.5
203.10492	1.2
205.08484	1.1
209.09770	1.2
210.06725	4.5
211.07504	3.6
212.08286	5.1
213.07057	2.3
213.09067	26.3
214.09610	1.5
215.08713	2.1
215.10603	8.8
217.08566	2.9
224.08333	1.7
225.09052	15.6
226.09692	1.7
227.10574	2.2
228.07591	1.7
229.10248	1.6
231.08075	2.4
231.10043	1.9
232.08821	2.1
233.09511	2.4
237.09108	1.1
241.08400	1.1
242.07159	2.2
242.09375	1.8
243.08022	1.9
243.10135	23.7
243.12643	1.3
245.09521	3.5
245.11748	3.4
246.10306	2.1
247.07475	2.4
247.11188	1.1
248.08252	1.9
255.10127	6.7
257.09579	3.4
258.10382	1.5
259.07513	3.1
259.11237	2.0
260.08322	2.2
261.09039	4.3
262.09738	1.5
263.10602	1.4
264.07880	2.6
265.08450	2.3
271.07394	2.9
272.08408	2.0
273.11188	92.4
274.11893	5.9
275.07214	1.1
275.10654	4.0
276.07892	2.1
277.08444	3.1
277.11868	1.4
278.09323	2.2
279.10284	1.2
281.08194	1.1
283.09357	1.3
285.09064	3.1
287.07172	1.7
287.10455	2.1
288.07791	1.7
289.08563	4.9
289.12222	3.7
290.09152	2.5
291.10168	7.9
291.13034	1.4
292.07242	3.0
292.10663	2.1
293.08084	3.6
293.11618	4.0
301.08664	1.7
301.11948	1.0
302.09305	2.8
303.09973	6.1
304.10718	2.6
305.08267	2.3
305.11713	3.7
306.08786	2.1
306.12149	1.5
307.09644	10.1
308.10471	4.7
315.10202	1.4
317.11661	4.3
318.08533	1.1
318.12259	1.4
319.09546	2.8
319.13040	1.9
320.10474	2.5
321.11160	5.7
322.11975	2.0
323.12634	2.0
325.10742	3.1
329.11292	1.5
331.09567	2.5
333.11154	3.6
334.11868	3.8
335.12695	6.6
336.13449	2.1
337.14331	2.1
339.12265	3.0
348.13507	1.4
349.14243	9.9
350.14523	1.5
351.12189	8.9
351.16034	1.9
353.13757	3.8
354.14542	15.8
355.14801	1.3
361.14215	2.2
364.13239	1.3
367.15228	5.0
379.15326	12.2
396.23904	1.4
397.16379	96.6
398.16504	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	397.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09852	0.4
81.07045	0.6
83.08598	0.5
89.06018	1.3
93.07052	0.6
95.08588	0.7
98.22702	1.2
104.25639	0.4
110.70158	0.5
119.08541	0.9
123.11672	0.5
133.10095	0.8
159.11708	0.5
170.11073	0.5
206.64867	0.5
225.96190	0.5
290.47943	0.4
397.29178	100.0
398.29495	8.1
398.35016	0.7
398.36649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02349	0.5
62.40545	0.5
70.58133	0.6
70.67113	1.0
79.49411	0.5
274.45520	0.6
284.47650	0.6
396.68546	0.5
397.29190	100.0
398.29562	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	397.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.3
67.05487	9.0
69.07063	7.1
71.55323	1.6
79.05487	11.8
81.07046	29.0
83.08591	4.3
91.05461	12.1
93.07034	26.5
95.08598	28.3
96.54176	2.1
105.07013	34.9
106.27448	1.9
107.08578	32.6
109.10140	10.7
117.07040	2.3
119.08567	48.7
121.10126	17.2
123.11689	3.3
131.08577	7.1
133.10097	25.7
134.20786	1.7
135.11690	10.2
143.08574	2.2
145.10101	4.8
147.11665	22.7
149.13229	92.9
150.13640	3.8
157.10139	2.3
159.11678	8.8
161.13235	100.0
162.13602	2.2
163.14807	27.2
164.15222	2.4
171.11575	2.0
173.13286	6.0
175.14786	30.5
177.16400	6.7
187.14787	3.1
189.16356	33.7
201.16374	10.6
203.17924	24.7
203.45193	1.8
215.17970	5.5
221.15425	2.6
227.17957	3.7
229.19576	2.5
235.16956	5.7
240.49208	2.1
241.19496	3.2
249.18456	3.1
254.39320	2.0
255.21153	1.9
287.19937	2.2
342.19681	2.3
351.30417	20.7
352.30664	2.1
397.30933	34.6
398.31201	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	398.1491
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
55.01849	1.1
55.05486	0.3
57.03427	1.7
57.07054	0.7
58.27487	0.3
61.02900	0.3
65.38882	0.2
67.05484	1.1
69.03403	0.8
69.11697	1.8
70.06561	0.6
71.01327	0.8
73.02888	0.8
75.43445	0.3
81.07037	0.6
85.02881	1.4
86.09671	0.4
93.07017	0.5
93.07865	0.2
95.04954	0.5
95.08559	0.4
96.44173	0.3
97.02855	0.4
97.06504	0.3
98.22612	0.5
100.11197	0.3
103.57313	0.2
109.05064	0.4
115.03870	0.3
118.06477	0.3
121.06483	0.3
134.03578	0.5
134.04594	8.1
135.03008	0.9
136.06158	0.3
140.02721	0.5
144.05708	0.3
145.06461	0.4
145.10088	0.3
146.07175	0.3
152.05659	2.2
152.24825	0.4
158.07184	0.3
159.04367	0.3
165.02293	4.7
167.02591	1.2
175.09767	0.6
181.05252	0.6
182.04929	100.0
183.05273	2.3
184.07501	0.3
187.10989	0.3
190.03023	0.3
194.04930	2.5
200.09305	1.0
201.10181	0.4
205.05353	2.0
216.04596	1.3
219.06960	1.0
224.05936	0.4
231.06863	6.1
232.07231	0.3
248.09613	10.7
249.09750	0.4
266.10660	76.0
267.10944	3.2
293.08139	0.6
295.09497	0.3
308.11621	0.3
314.09167	0.3
327.34766	0.3
398.14862	29.7
399.15045	2.1
415.31516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
59.04989	2.6
61.02919	1.3
67.05157	2.0
67.05498	27.1
69.03406	3.4
69.07065	1.5
70.06595	1.4
70.32176	1.6
70.32494	1.8
71.04980	2.2
74.08149	1.3
79.21154	1.4
81.03426	1.5
81.07036	3.5
83.08598	4.3
85.02904	11.0
85.06528	1.7
86.09692	1.6
87.35369	1.5
91.05493	1.7
93.07016	1.3
95.04918	1.3
95.08585	2.8
97.02892	6.5
98.22786	1.3
100.11227	3.2
105.07059	1.7
109.09414	2.5
109.10148	45.2
110.10501	1.7
110.93996	1.1
111.04465	1.9
111.08087	2.1
119.08559	5.1
121.06456	1.1
130.06468	1.5
131.06873	1.8
131.08498	1.3
133.02702	1.4
137.09607	1.9
155.10623	23.1
166.69179	1.5
173.11722	100.0
174.12062	2.7
181.04912	8.9
184.98289	1.3
201.09344	1.4
201.11195	27.8
210.14804	2.3
219.12231	12.0
237.10875	2.9
285.89514	1.7
399.15628	2.9
399.20218	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	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15914	1.6
52.63746	1.8
55.01870	8.6
57.03424	16.1
61.02911	15.1
67.05467	1.8
69.03416	39.9
69.07058	31.2
70.79179	3.5
71.01343	3.7
71.04972	1.8
73.02904	68.4
81.03391	9.1
85.02892	100.0
86.09686	4.4
87.04449	5.8
91.03951	3.3
97.02878	63.3
99.04453	5.1
103.03910	4.6
109.02856	8.9
111.04443	2.4
111.08059	3.9
115.03914	31.1
123.04376	2.0
127.03903	31.8
131.04913	3.2
132.36340	2.0
133.04947	49.8
140.03346	3.6
145.04938	41.3
145.06068	3.5
150.07610	2.2
163.03923	3.0
163.06009	30.1
165.09088	2.3
183.10130	3.5
191.03360	4.9
193.04941	3.2
195.10175	2.3
201.11200	4.2
217.06984	2.2
223.05934	7.5
237.03822	3.0
237.07355	5.9
241.06909	9.6
253.05275	1.8
259.08145	21.3
277.09113	2.6
295.10330	11.2
398.09122	2.4
399.12485	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	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.5
56.83902	1.8
57.03428	21.8
61.02921	17.3
67.05486	2.4
69.03420	31.4
69.07056	35.7
69.35100	2.2
70.57008	3.1
71.01344	4.0
71.04978	4.5
73.02906	81.6
81.03399	9.7
81.07042	3.6
85.02892	100.0
86.09716	2.5
87.04456	6.1
91.03934	2.2
91.05429	2.4
95.08576	2.4
97.02878	71.0
98.03220	2.0
99.04443	4.4
103.03953	4.1
105.07004	3.4
109.02861	8.5
111.08086	3.2
115.03895	36.2
118.06538	4.2
119.04914	3.1
119.06841	3.2
123.08115	2.5
124.07616	2.7
127.03896	34.2
131.04881	2.8
132.06512	2.2
133.04951	43.3
136.06232	2.0
137.09612	3.0
145.04929	46.6
146.06041	4.6
147.04387	4.3
147.06342	4.7
153.09093	2.1
163.05986	32.5
183.10066	2.5
186.06229	2.8
193.04889	2.8
199.05917	3.4
217.07068	2.5
223.05925	5.9
229.13147	2.0
231.08034	5.0
232.08374	15.9
241.07037	7.5
246.09819	5.1
248.07751	3.6
250.09340	3.8
259.08051	14.0
260.07797	2.9
274.09296	4.8
275.08881	5.4
277.09357	3.1
290.11652	2.3
291.11926	3.1
295.10223	6.6
303.08347	7.0
335.10886	4.7
363.10571	6.2
394.01996	2.4
398.14612	11.6
399.16147	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	398.2688
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
55.05502	2.4
57.07075	1.6
59.04987	0.8
59.64352	0.5
65.03934	0.8
67.05494	4.4
67.69279	0.4
68.05032	3.7
68.99612	0.5
69.07043	3.3
70.06585	15.9
70.66483	0.9
71.04993	0.7
73.37445	0.5
77.03909	0.7
79.05492	6.2
80.05000	0.7
80.05762	0.6
81.07055	6.0
82.06544	0.7
83.04988	0.5
83.08606	1.4
84.08142	0.6
85.06528	1.2
91.05470	8.7
93.07031	10.7
94.06552	3.0
95.04957	2.3
95.08593	5.2
96.08131	4.1
96.08702	0.6
98.06055	1.7
100.07599	5.7
103.05465	0.7
105.04460	0.5
105.07013	12.6
106.06554	1.2
106.34753	0.6
107.07369	0.8
107.08586	7.4
108.08123	1.8
109.10136	2.4
114.05528	6.3
115.05441	0.9
116.07079	8.7
117.07000	3.9
118.06568	1.0
119.08565	15.2
120.08092	4.3
120.08856	1.1
121.10141	5.2
122.09666	3.2
128.06204	1.1
128.07056	7.8
129.06963	2.6
130.07823	1.2
131.08554	9.7
132.08066	0.9
133.10091	7.7
134.09608	1.2
135.08083	3.0
135.11687	1.7
136.11224	1.7
137.05988	0.5
137.09578	0.6
138.53830	0.5
140.07071	0.7
140.10727	0.7
141.07010	0.6
142.07753	2.4
143.08534	6.2
144.09290	1.1
145.10092	10.4
146.09610	1.7
147.11687	3.2
148.11188	8.4
149.09596	0.8
149.12018	0.6
150.12756	1.3
151.06277	1.7
154.08641	1.6
155.08551	2.4
156.09363	1.7
157.10088	6.9
158.09634	0.9
158.10864	1.6
159.10532	0.5
159.11642	3.6
160.11148	1.1
161.09660	0.6
161.13263	1.0
162.12764	0.8
163.14790	0.8
164.07059	1.9
166.08630	1.1
166.12262	0.7
167.08540	1.2
168.10216	19.9
169.10112	3.7
170.10796	0.9
171.11635	3.4
173.13225	5.7
175.14832	3.5
178.08635	5.8
179.08504	0.7
181.10115	1.3
183.11678	4.6
184.12543	0.7
185.13200	2.6
187.14795	1.8
192.10109	4.0
194.11781	13.1
195.11754	1.6
197.13281	1.8
199.14850	2.6
206.11752	1.8
208.13271	0.5
209.13269	4.0
211.14767	1.3
223.14838	1.2
225.16393	0.7
230.11794	0.8
232.13155	0.8
234.14919	1.7
235.14714	1.3
239.17825	0.6
245.13962	0.6
246.14850	1.3
250.09251	0.6
257.18848	0.6
260.16415	2.2
265.19397	1.0
267.21194	0.8
283.20554	0.5
306.20575	3.4
342.20551	0.6
380.25812	4.5
381.26807	0.6
398.26855	100.0
399.27176	12.9
416.26904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98644	0.3
56.45161	0.2
56.96281	0.4
56.96558	9.1
70.55904	0.3
70.56275	0.3
71.95247	0.5
96.88908	0.2
98.97566	90.0
99.97890	0.4
101.28390	0.2
116.98604	45.9
130.93294	0.9
134.99637	14.1
140.00157	0.4
143.72978	0.3
153.00700	1.0
154.93317	0.3
164.38026	0.2
172.94328	4.2
190.95381	4.6
197.95064	0.4
208.96440	1.0
214.95317	2.5
220.49323	0.3
229.28539	0.3
230.98297	0.3
232.96432	6.9
240.98729	0.3
241.94051	0.3
250.97498	3.5
256.96396	14.8
258.99731	3.2
259.99835	0.5
261.02966	0.3
262.47937	0.3
274.97461	100.0
275.97803	2.4
276.97867	0.5
277.00726	3.4
282.99927	1.1
284.00122	0.5
292.98511	53.9
293.98849	1.0
297.99088	1.5
298.97937	0.4
301.01019	1.2
302.01212	0.5
303.00903	0.3
310.99564	0.6
315.99930	0.4
316.98737	1.0
331.99503	0.3
357.03629	0.4
374.98889	0.5
398.97574	0.9
416.98688	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	399.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56608	3.1
70.56940	3.8
79.05515	2.5
81.54174	2.5
136.39677	2.8
137.29337	2.6
139.87744	2.5
205.04961	3.2
254.05585	3.9
291.59381	2.7
306.63864	2.5
381.12848	2.6
399.12836	100.0
400.12997	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	399.12
Annotation	Solstitiolide
Peak:m/z	Relative Intensity
64.58313	3.0
68.76276	2.8
69.64566	5.4
69.64922	6.3
84.29205	3.2
91.42757	2.6
94.21419	2.7
98.23277	5.1
126.53320	2.6
249.92430	2.5
283.05737	6.3
296.02231	2.8
399.11874	100.0
400.12247	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	399.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19823	1.6
69.53608	3.2
69.53973	5.6
69.97729	1.6
77.66649	1.6
86.06845	1.7
91.32837	1.5
98.22730	3.5
108.40026	1.5
199.05037	1.6
208.54753	1.9
244.01309	1.7
299.87634	1.9
367.09381	100.0
368.09634	7.4
381.96298	1.7
382.11765	9.5
382.16226	2.1
399.11963	13.1
400.28333	1.9
417.77936	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55633	0.6
53.65749	0.7
55.05519	0.9
57.07042	0.6
64.82102	0.7
71.08603	0.9
71.43620	0.7
79.05476	0.8
81.07041	1.7
85.02856	0.7
85.06531	0.8
89.23482	0.6
90.95118	0.6
91.05472	1.2
93.07103	0.7
94.06601	0.8
95.08603	1.0
97.02859	0.8
105.07046	1.1
121.10132	0.9
130.71220	0.7
131.04825	0.7
136.06226	0.9
137.05984	0.9
205.04948	2.0
243.02579	2.9
243.57683	0.7
250.09290	1.2
297.07315	0.9
311.08725	3.5
327.08347	2.4
369.13010	1.2
381.13104	2.8
398.21667	0.9
399.14102	100.0
400.14340	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	399.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10934	1.0
55.75254	1.2
67.05509	1.2
69.98370	2.0
69.98702	1.6
94.87495	1.2
98.23417	1.5
111.04477	1.4
112.61121	1.3
131.87544	1.0
174.24620	1.2
179.06819	1.2
228.04033	2.8
241.04747	2.1
249.74779	1.2
250.09343	1.3
254.05511	5.3
257.04321	1.6
274.97665	1.3
283.05951	2.4
284.06628	1.5
297.07431	5.3
319.13376	2.6
320.13889	1.7
321.07657	1.4
323.09119	5.1
327.08438	4.1
341.10071	2.5
349.10599	2.8
353.16638	1.2
364.13034	3.9
367.11484	100.0
368.11768	10.3
381.13043	10.8
382.13922	3.7
399.14267	99.5
400.14603	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1414
Annotation	D 4476
Peak:m/z	Relative Intensity
81.07054	1.3
97.02894	1.7
98.22709	3.8
105.07048	1.4
107.08619	3.1
114.38793	1.5
125.09605	1.7
130.30119	1.1
155.18059	1.2
177.08943	2.2
196.53729	1.4
205.05074	1.6
228.03914	21.8
229.04285	1.2
239.37822	1.3
243.02727	2.9
246.05170	1.5
257.04178	14.1
257.06415	1.3
260.02963	3.3
267.09998	1.3
277.32889	1.3
283.09628	1.4
292.98822	1.3
294.08810	5.3
295.09265	2.9
297.07437	6.3
299.09204	1.8
311.09164	2.4
312.09756	5.1
329.09955	1.5
339.12161	1.5
341.10251	2.4
344.65042	1.3
353.13718	1.7
367.11826	1.6
369.13104	1.7
371.10849	1.9
381.13022	9.5
382.12018	2.8
383.12524	2.0
398.15289	2.1
399.14301	100.0
399.23676	3.0
400.14600	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	399.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59981	0.5
58.79585	0.6
61.96883	0.5
65.15183	0.6
69.42818	2.5
73.35536	0.5
73.88017	0.6
91.05495	0.6
93.95861	0.6
95.04951	0.7
97.02895	0.9
98.22734	1.2
105.07037	0.5
121.02866	1.1
136.06181	1.0
163.03961	0.8
179.12955	0.6
187.03687	0.6
202.05983	10.5
203.06587	0.8
207.02904	6.8
215.36206	0.6
222.05225	4.7
223.05623	0.7
237.07539	24.2
238.07813	1.0
250.09378	0.7
261.08499	0.7
353.00009	0.6
399.14105	100.0
400.14355	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	399.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84325	0.6
65.28870	0.5
71.45119	0.6
73.49334	0.6
74.15241	0.6
74.89852	0.5
81.07057	0.9
85.06528	0.6
90.79435	0.6
93.07060	1.0
96.37119	0.6
97.02891	0.6
100.97231	0.6
121.10101	0.7
136.06227	1.3
187.03804	0.9
202.05952	8.2
202.07674	0.7
203.06731	0.6
219.17554	0.7
250.09302	0.8
332.40396	0.7
353.51077	0.7
395.85892	0.9
399.14151	100.0
400.14474	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	399.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.1
57.07067	3.9
65.63911	2.3
67.05492	10.1
69.03422	9.1
69.07059	2.7
69.66544	3.1
69.66860	4.9
70.06578	8.2
72.26807	2.7
79.05467	2.9
82.06557	2.9
83.04964	5.7
83.08620	11.2
85.02879	6.0
91.05466	3.6
97.02885	16.6
98.09676	2.3
98.22711	2.8
98.97604	2.5
100.07612	13.4
100.11256	32.5
109.10130	6.3
110.10482	4.4
111.04427	23.8
112.07605	5.6
126.09128	2.8
128.07043	14.8
129.05460	2.8
129.07040	3.5
133.05083	3.1
135.04446	3.4
136.06172	4.7
137.05922	3.2
140.07033	5.3
147.04399	3.2
163.03905	11.0
173.11714	9.8
174.12073	8.9
181.04936	17.9
182.15379	46.4
192.13774	3.5
193.04918	3.8
201.11180	2.8
202.11609	3.3
209.16505	3.2
210.14844	53.6
227.17551	5.6
228.15935	3.0
237.07536	15.0
237.10957	47.7
244.98703	2.5
250.09331	3.7
255.17007	11.7
260.17316	3.0
272.19608	6.7
303.74869	2.5
337.21194	24.5
354.23868	14.5
382.23138	13.6
399.14078	100.0
399.25842	12.1
400.14487	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	399.1623
Annotation	His Glu Asn
Peak:m/z	Relative Intensity
50.08468	0.4
53.32669	0.4
55.01838	0.4
55.05497	1.0
56.05044	0.6
64.58207	0.4
69.03440	0.7
71.04975	0.7
79.05471	0.9
81.07037	0.9
84.04498	0.8
93.07043	0.5
95.04940	0.4
95.08587	0.7
97.02888	1.0
98.23586	1.0
105.07011	0.6
107.08573	0.5
109.10123	1.0
116.03283	0.4
118.47691	0.5
123.71175	0.4
130.04965	0.8
136.06160	1.1
137.05931	1.2
145.10062	0.5
250.09343	0.9
250.99631	0.5
399.16144	100.0
400.16440	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	399.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01857	1.3
57.03430	6.1
61.02921	4.2
66.03030	0.5
68.13160	0.5
69.03420	10.9
69.53370	1.1
69.53754	1.1
71.04975	1.3
73.02899	3.7
74.03218	0.7
75.04494	1.3
81.03401	5.0
85.02893	23.0
87.04443	1.9
91.03952	1.3
95.04957	1.8
97.02879	8.5
99.04424	2.2
101.02401	0.6
101.41518	0.6
102.04664	1.6
103.03992	3.1
103.05454	48.1
104.05775	1.5
105.03394	3.4
105.07017	1.7
109.02862	3.0
115.03929	0.7
117.05453	0.7
121.93973	0.5
127.03919	5.5
130.04141	2.1
131.04910	100.0
132.05263	3.1
133.06468	1.4
137.05927	1.0
145.04948	3.3
147.04385	1.0
148.05168	14.5
149.05629	0.7
160.05161	0.6
161.05991	3.5
162.06807	0.9
163.03897	1.0
163.07521	39.2
164.07860	1.1
165.05466	0.8
183.10324	0.5
201.07430	0.8
201.09111	1.7
205.08592	0.7
219.10153	1.0
237.11185	1.6
336.58170	0.6
399.16385	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	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.05505	1.5
57.07065	2.8
61.02925	4.4
67.05492	7.4
68.99789	4.2
69.03430	7.3
69.07060	100.0
70.07393	1.1
71.04983	2.3
71.08626	1.1
71.42079	0.8
79.05501	4.3
81.03408	13.8
81.07049	30.6
83.04984	3.4
85.02898	11.9
85.10183	1.1
87.00845	3.1
88.84335	0.8
91.05469	1.9
93.07080	1.5
95.04971	2.0
95.08613	7.1
97.02884	6.0
98.97623	1.1
99.04447	1.4
101.06013	1.1
105.01834	0.8
105.07008	1.1
107.08578	5.7
109.02884	8.8
109.06495	4.3
109.10139	8.1
109.49812	1.0
111.04511	0.9
112.52456	0.8
123.11692	49.2
124.12027	2.1
127.03896	15.4
129.01819	8.0
136.06189	1.5
139.06683	0.9
147.02849	5.3
149.42691	0.8
151.11160	40.8
152.11546	1.1
160.36855	0.7
217.03349	0.9
274.97577	1.6
320.92480	0.9
365.75293	1.0
399.16388	3.8
400.30289	1.7
411.44861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38517	0.6
53.03942	1.3
55.01863	1.2
55.05494	1.0
57.03434	6.9
61.02928	2.6
63.10213	0.5
69.03421	9.2
69.07876	3.4
71.04973	0.5
72.08150	3.9
73.02901	1.6
75.04469	1.5
77.03929	0.6
81.03416	5.7
82.73760	0.6
85.02898	24.4
86.09695	1.1
87.04458	1.3
89.10867	0.6
91.03958	1.0
91.05471	0.8
95.04968	1.7
97.02883	9.7
99.04443	2.4
102.04704	1.0
102.05519	0.6
103.03992	3.3
103.05457	55.6
104.05779	1.6
105.04469	0.6
105.07052	0.7
109.02858	3.7
111.04412	0.7
115.03925	1.0
115.05436	0.6
117.05472	1.5
117.07060	0.8
127.03896	6.6
130.04131	2.5
131.04916	100.0
132.05232	3.0
136.06139	3.0
145.04951	3.9
148.04056	1.1
148.05183	13.2
151.03877	0.8
160.05179	1.0
161.05981	4.3
162.06783	0.7
163.07524	46.2
164.07948	0.8
175.07524	1.3
189.09103	0.7
200.59918	0.6
201.09081	2.4
228.73006	0.6
237.11192	1.2
250.09319	1.9
399.12390	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	399.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91030	0.5
55.05444	0.6
68.63649	0.5
69.16986	2.6
69.20033	0.5
83.19965	0.4
86.95123	0.5
97.02863	0.7
129.05429	0.7
133.10034	0.5
136.06140	0.7
141.16396	0.5
155.54979	0.5
185.04187	20.2
186.95308	0.6
237.14578	100.0
238.14917	3.8
250.09207	0.6
294.95190	0.5
327.35995	0.5
366.87140	0.6
375.57562	0.6
399.20038	80.7
400.15875	1.0
400.20483	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	399.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	43.7
56.96570	68.2
71.08627	51.9
71.43800	31.1
71.73129	32.8
81.07064	92.5
93.07040	36.2
95.08575	59.0
104.05579	35.1
109.10165	40.8
119.08585	33.8
128.52702	29.7
137.05994	31.0
137.13217	36.0
186.54376	33.5
191.03188	33.0
205.04936	48.0
274.97577	69.8
310.20547	54.0
358.26202	48.7
394.38803	38.3
399.21436	100.0
399.32706	48.0
400.27252	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	22.9
65.91335	0.8
69.93833	3.1
72.10339	0.9
74.08475	1.0
76.35496	1.0
95.34594	0.9
98.22741	1.4
98.97570	100.0
106.26952	0.9
108.28765	1.2
116.98608	75.9
134.99634	34.1
140.00214	3.7
143.87537	1.0
153.00693	4.2
153.22174	1.0
158.01222	1.8
207.22339	1.0
265.00238	2.0
320.05670	3.3
321.02753	1.4
338.06607	2.5
359.07877	10.7
377.09024	64.6
378.09427	2.6
395.10129	25.2
396.10251	0.9
399.31931	2.4
400.10645	4.3
400.17938	1.0
400.28009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	19.8
58.74628	3.2
69.07060	6.0
98.23460	4.8
98.97569	100.0
108.31022	2.9
116.98605	95.0
134.99623	62.0
135.00583	4.4
144.16208	3.3
153.00662	6.4
156.94666	3.0
158.01248	3.7
228.87187	3.0
234.99170	9.7
251.99472	6.4
253.00040	14.2
270.00357	5.6
271.01309	3.7
275.99374	10.1
291.01709	63.9
294.00595	4.2
309.02768	82.2
327.03766	9.8
332.04361	8.2
338.75095	3.1
400.28079	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	400.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35474	1.9
53.03949	2.4
55.01866	4.7
55.05486	2.1
57.03432	9.7
57.31550	2.4
61.02909	2.5
61.75144	2.0
65.03938	2.4
67.04148	2.1
69.03420	4.2
70.06587	12.5
71.04984	58.1
72.08139	3.5
73.02917	4.7
75.04450	5.1
79.05475	2.9
81.03407	3.6
83.04980	10.1
85.02892	100.0
86.09691	4.7
95.01295	3.4
95.04953	4.2
97.02883	9.8
99.04453	4.1
103.05463	5.2
104.05783	3.1
105.03404	3.6
107.04961	4.5
109.02930	3.5
110.07163	5.2
111.04449	6.3
111.36852	2.2
112.08696	4.5
112.57639	2.0
127.03909	9.8
129.05453	41.3
131.04900	7.7
132.05234	5.5
137.06064	2.6
139.03867	2.4
145.04962	6.6
147.06491	20.4
149.05846	2.6
157.35738	2.0
163.06041	4.1
163.07483	3.7
164.07884	4.0
164.09154	3.7
167.07076	3.1
171.06535	3.3
177.05481	2.3
181.04927	71.9
207.06505	2.4
209.08113	3.8
217.04921	2.4
238.10802	2.3
239.08890	3.5
401.13504	5.0
401.17953	4.8
401.28793	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	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	9.3
55.05526	1.9
57.03431	18.0
59.04993	2.0
61.02914	11.3
63.06066	1.7
64.50841	1.8
66.11221	2.1
69.03425	30.2
69.64823	7.7
70.06576	2.3
71.01353	2.6
71.04974	3.7
73.02909	65.1
75.90074	1.8
79.83270	1.9
81.03411	6.9
85.02895	100.0
85.03413	4.8
85.50245	2.0
86.09689	1.9
87.04437	4.4
89.16351	2.0
91.03922	3.7
95.05005	2.0
97.02878	55.2
98.09835	2.1
99.04430	5.8
103.03918	3.3
103.36359	1.9
105.06998	2.4
107.04950	5.5
109.02868	9.0
112.98546	2.2
115.03916	23.3
123.04414	4.4
126.33379	2.1
127.03908	32.3
133.04955	32.5
137.05968	2.8
139.03860	2.3
145.04941	44.0
147.04387	3.0
156.05640	2.6
163.06000	25.7
165.09039	2.0
167.07002	6.9
181.04944	7.8
182.43977	2.0
193.04912	2.7
203.06976	2.2
217.08530	6.5
219.08080	2.6
238.07899	4.3
238.10545	1.9
239.08914	6.9
239.12523	8.3
241.07057	8.9
259.08087	8.6
291.10321	2.1
295.10233	2.0
315.08585	4.0
330.10925	3.5
383.14880	4.3
400.16708	21.3
401.13031	4.2
401.14508	3.2
401.17603	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	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84122	1.4
55.01871	7.2
57.03430	15.2
59.04993	1.9
61.02634	1.8
61.02924	17.4
66.60069	1.3
67.83616	1.4
69.03418	30.6
69.77647	3.3
71.01353	4.3
71.04980	1.5
73.02907	79.8
81.03432	5.8
83.68664	1.5
85.02892	100.0
87.04465	4.5
91.03941	6.2
97.02880	51.5
98.22606	1.6
99.04456	5.2
101.02357	1.5
103.03903	1.7
107.04969	1.5
109.02837	8.7
115.03910	26.0
127.03891	27.9
129.91246	1.6
132.70549	1.7
133.04950	38.4
145.04926	63.9
146.05170	1.6
147.04332	2.5
150.07631	2.3
163.05998	30.7
167.07051	2.4
181.04910	2.5
193.04858	2.8
193.38464	1.4
197.79123	1.3
217.06958	1.6
221.11473	4.3
223.06049	6.4
239.12608	4.8
241.06940	7.2
251.14888	3.8
257.03696	1.5
259.08115	7.9
263.68210	1.5
295.10306	1.7
330.10974	2.0
383.14978	3.1
401.17752	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	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60161	1.4
55.01849	5.7
56.05001	1.9
57.03436	11.7
61.02929	10.6
69.03423	21.9
69.62845	5.3
70.06571	7.3
71.01346	2.1
71.04960	1.7
72.08131	5.0
73.02913	45.8
78.25932	1.5
79.05467	5.0
81.03396	3.5
83.04938	1.5
84.04497	1.9
84.08147	2.0
85.02898	68.5
85.03410	4.0
86.03179	1.6
86.09679	5.9
87.04438	3.9
91.03932	3.0
91.05486	7.6
95.04943	7.4
97.02885	42.7
98.03168	1.8
98.22654	2.8
99.04431	3.7
100.07601	1.6
103.03889	2.7
103.05441	5.5
104.04968	5.0
105.07008	3.7
106.06532	4.0
107.04921	10.1
108.04463	1.7
109.02863	5.2
111.25259	1.8
115.03924	17.2
115.05390	4.4
117.07008	2.8
119.04886	2.1
119.08597	1.9
120.08079	3.8
121.02794	2.2
121.06465	2.4
122.06040	7.5
123.04424	13.5
127.03899	20.7
128.06183	3.5
129.06979	10.5
131.04881	7.3
131.08519	5.1
132.04457	14.6
133.04950	25.0
133.06445	3.0
134.05957	2.1
135.04373	5.2
136.06129	1.9
137.05949	8.1
141.06943	6.2
145.04918	34.8
145.06409	9.1
147.04410	4.2
148.07509	2.8
149.05919	2.2
150.05511	4.2
152.07066	25.0
153.05402	1.7
155.05978	1.9
156.05655	3.4
157.06435	11.2
159.04433	1.5
159.07980	5.6
161.05936	4.3
162.03087	7.8
163.05995	16.1
165.05470	23.3
167.06976	5.0
172.07530	3.3
173.05905	4.4
175.07506	4.5
177.05489	1.7
179.07019	4.1
181.04919	5.8
185.06058	7.7
185.16513	2.5
187.07539	7.9
191.06990	3.5
193.04895	2.3
200.06995	3.8
201.05435	2.6
203.06955	6.1
203.08717	2.3
205.04781	2.3
205.08485	4.1
207.06488	3.4
217.08395	2.9
222.06735	2.4
223.05951	6.3
231.06374	3.0
233.08005	6.4
237.05460	2.5
241.06987	5.2
245.09464	1.9
246.07361	2.2
248.09070	2.4
249.05415	5.1
258.51361	1.9
259.08069	5.5
260.08334	3.3
261.09131	1.8
267.06607	8.5
267.09070	2.3
275.10635	3.1
277.08698	1.9
279.09995	4.1
291.10074	5.5
295.09821	3.9
297.10965	2.0
315.08411	2.4
319.09521	3.3
321.11130	2.4
330.10983	2.8
337.10507	5.0
342.07019	2.2
347.08902	2.7
355.08182	3.8
365.10400	3.0
383.14804	2.1
400.13770	100.0
401.13712	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	400.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04565	25.5
58.53655	27.5
59.25463	30.6
67.05491	59.7
69.07055	35.6
69.95292	92.3
76.16642	25.9
79.05486	38.9
81.07033	96.0
87.04461	31.5
90.86722	27.8
91.05500	36.7
93.07010	69.7
95.08578	51.7
97.60950	28.6
99.08051	28.9
105.07014	40.7
113.09622	32.9
119.08537	45.6
121.10188	34.8
135.11670	29.6
184.80678	26.7
203.75203	30.6
254.75256	29.2
259.20569	55.9
277.21661	41.8
307.59369	28.3
351.25226	100.0
400.37021	43.5
401.19403	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.6
57.07067	41.7
57.49280	1.1
58.06579	2.0
67.05490	4.7
69.07059	8.7
70.06580	15.5
71.08617	1.6
71.50032	1.0
77.03917	1.3
80.18364	1.4
81.07037	7.0
83.08598	2.8
87.04457	2.6
88.07618	26.4
89.06018	24.7
91.05472	7.0
93.07031	16.5
95.04945	4.6
95.08590	5.0
97.10149	1.9
102.09145	14.8
103.05459	1.5
105.06959	1.5
107.08635	1.3
109.10143	2.5
110.95516	1.1
118.07767	1.7
119.04900	1.2
119.08529	1.5
121.05605	1.8
121.06490	37.3
132.10182	2.4
133.08588	10.7
133.10109	1.5
139.07556	2.6
144.09216	1.1
147.08052	3.2
153.09079	1.8
165.09082	15.7
165.10387	1.6
171.13754	12.5
177.11218	3.8
183.10037	1.4
207.13806	1.7
209.11687	4.3
213.68231	1.1
233.19017	3.0
240.15239	1.2
256.26306	8.2
271.15338	64.4
272.15735	1.8
277.21530	2.9
338.34106	23.5
343.22180	4.4
374.17844	1.2
382.31583	1.5
382.36606	1.7
383.27768	3.3
400.33264	5.7
400.37784	100.0
401.33643	6.8
401.38614	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	400.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34740	8.4
55.05500	15.6
67.05502	21.3
69.07046	17.3
70.06577	21.9
70.65557	9.7
71.08627	24.4
71.43963	8.9
79.05485	18.7
81.07034	21.7
88.07632	15.7
91.05486	23.8
93.07058	18.0
95.08626	15.7
99.08086	24.8
105.07020	14.1
132.10216	13.0
133.10085	11.2
136.44836	8.6
150.11261	12.1
153.71718	8.6
161.13239	22.1
166.15353	8.9
175.14925	10.2
240.31161	9.7
259.20538	21.4
277.21661	13.9
278.92981	8.7
400.37808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	9.3
70.06351	1.8
70.06683	2.7
98.97575	100.0
99.97914	1.7
100.97157	1.8
116.98611	59.1
119.59149	1.1
134.99652	18.7
136.09848	1.2
172.94301	1.7
190.95461	2.3
214.95271	1.2
232.96547	1.8
234.99803	2.1
240.98711	4.5
256.96472	4.1
258.97043	1.8
258.99744	55.5
259.99887	4.8
260.99802	3.4
261.03082	4.0
274.97461	31.6
275.97943	2.8
276.97641	5.6
277.00775	67.1
278.00974	5.0
279.00772	2.4
282.99921	5.9
284.99844	3.4
292.98544	19.8
293.98807	1.9
294.98630	1.9
298.97641	2.2
301.01025	7.3
303.00787	5.3
304.01102	1.6
316.98849	2.0
318.99008	1.8
359.03458	1.4
382.99893	3.3
400.96329	1.5
401.00998	17.7
402.00995	1.9
418.97675	1.9
419.02722	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	401.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96358	1.0
56.96554	35.0
70.59080	1.9
71.95191	1.0
74.74734	1.1
74.97568	1.3
75.94815	0.9
84.96015	11.9
98.97563	97.5
102.97008	1.5
108.17914	0.9
109.99952	1.0
110.97548	41.4
112.99068	4.8
116.98598	37.2
117.98925	1.0
124.99074	1.2
126.97013	0.9
128.97621	2.0
128.98579	39.7
131.00113	5.4
134.99629	9.5
140.98531	5.1
143.00137	8.4
144.98119	2.3
146.99629	13.8
149.01219	2.1
152.98607	1.2
158.99625	10.2
161.01184	11.1
162.99043	1.0
163.97838	3.2
165.00557	1.3
170.99602	8.0
177.00677	10.5
179.02238	1.5
181.98849	15.2
189.00641	7.4
193.01715	2.2
195.01807	1.4
197.01340	1.5
199.99918	19.6
201.00642	6.7
209.01416	1.0
211.02687	2.7
213.00658	2.6
215.02292	6.4
218.00940	4.1
219.01720	65.4
229.00195	2.1
229.03932	1.5
233.03177	1.2
237.02771	100.0
238.03203	1.9
239.02208	3.7
251.02303	1.2
255.03976	6.7
257.03293	10.9
259.99841	5.3
261.02811	2.6
269.03244	5.2
272.79904	1.1
274.97260	1.6
275.04535	1.7
278.01007	6.6
281.03220	4.2
287.04453	1.0
287.18512	1.0
292.98358	1.6
293.03232	6.8
299.04337	5.6
311.04337	1.5
326.02798	5.1
341.05322	12.1
344.04132	1.8
359.06442	50.3
360.06790	2.1
377.07428	4.1
401.07443	53.8
402.07852	2.2
419.08398	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	401.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
56.96556	3.0
59.85200	2.6
63.25269	2.6
65.07165	2.3
69.03390	2.7
69.48249	6.5
69.48627	5.0
70.06577	6.5
72.08134	4.8
81.07041	4.1
85.02883	6.9
86.09710	5.2
95.04928	2.5
97.02900	4.8
103.05431	2.5
107.04967	2.8
107.08534	3.2
123.04388	14.2
131.04967	3.4
134.93637	2.8
137.05956	89.6
139.03885	5.5
141.06953	3.5
165.05458	60.3
167.07111	3.9
177.09068	3.6
179.41693	2.6
187.07506	4.5
205.08615	6.2
221.07913	3.7
223.09686	9.9
239.06737	29.9
239.08914	41.1
239.12918	4.1
257.06915	3.0
262.10983	2.5
339.13922	8.0
365.06055	3.0
383.07452	3.2
401.12659	100.0
401.17975	17.2
402.12259	4.5
406.35056	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
56.96556	3.0
59.85200	2.6
63.25269	2.6
65.07165	2.3
69.03390	2.7
69.48249	6.5
69.48627	5.0
70.06577	6.5
72.08134	4.8
81.07041	4.1
85.02883	6.9
86.09710	5.2
95.04928	2.5
97.02900	4.8
103.05431	2.5
107.04967	2.8
107.08534	3.2
123.04388	14.2
131.04967	3.4
134.93637	2.8
137.05956	89.6
139.03885	5.5
141.06953	3.5
165.05458	60.3
167.07111	3.9
177.09068	3.6
179.41693	2.6
187.07506	4.5
205.08615	6.2
221.07913	3.7
223.09686	9.9
239.06737	29.9
239.08914	41.1
239.12918	4.1
257.06915	3.0
262.10983	2.5
339.13922	8.0
365.06055	3.0
383.07452	3.2
401.12659	100.0
401.17975	17.2
402.12259	4.5
406.35056	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	2.2
69.60867	2.8
69.61257	2.2
86.09710	1.4
90.92744	1.1
91.49977	1.0
97.64596	1.0
121.06425	1.1
152.71584	1.0
171.03290	1.0
181.05113	1.4
183.03406	1.7
193.51930	1.1
193.96463	1.1
204.07613	5.2
213.07990	5.9
231.09067	6.3
239.06841	1.9
257.06842	5.9
275.08078	3.8
401.15900	100.0
401.21521	10.9
402.16299	7.8
402.20993	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1566
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
56.49435	0.3
58.08374	0.3
67.05517	0.4
69.79657	1.0
78.55862	0.3
103.05450	0.3
104.07644	0.4
105.07006	0.6
105.47106	0.3
107.04918	0.7
119.04964	0.4
123.04426	1.1
133.06377	0.4
137.05942	0.8
145.02803	0.3
147.07985	0.3
161.05995	0.7
167.07030	1.0
177.05453	0.4
179.06921	0.3
181.04948	0.6
189.05244	0.8
203.06956	0.5
204.07507	5.1
205.08092	0.5
217.08464	0.7
221.07951	0.4
239.09155	0.3
383.14618	0.8
401.15646	100.0
402.15961	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	401.1568
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
51.33411	0.4
56.96547	1.1
68.35976	0.5
68.89642	0.4
69.57142	1.5
92.25635	0.4
107.04909	0.6
122.56393	0.4
123.04401	2.4
131.04927	0.6
139.41068	0.6
147.04433	0.8
160.53238	0.4
161.06000	0.6
163.03853	0.5
167.06964	0.7
179.95796	0.4
181.04907	0.6
183.03369	0.5
189.05313	1.1
204.07487	5.5
213.08044	1.3
231.08943	1.2
239.05933	1.1
242.15204	0.4
257.06836	2.1
275.08002	1.3
283.49591	0.5
295.09564	0.9
299.08240	0.8
327.08652	0.6
327.12091	0.7
333.00290	0.4
353.13516	0.5
361.11139	0.5
401.15680	100.0
402.16022	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01869	1.2
55.33121	1.2
62.66085	1.1
65.03951	1.6
69.03436	1.5
70.06588	1.5
71.04981	1.6
72.08163	7.0
77.03915	1.3
78.04709	2.0
79.05486	19.8
81.06998	1.5
81.36028	1.1
84.73392	1.0
86.09693	3.2
91.05456	9.1
93.07013	1.5
94.04193	1.8
95.04961	7.9
97.02850	1.2
103.05473	1.5
105.07012	2.3
106.04160	1.5
107.04941	40.8
109.06518	1.4
115.05429	4.4
116.06219	2.9
117.06979	2.8
118.04192	1.3
121.06523	1.4
122.03642	2.0
123.04456	5.7
124.05187	7.7
125.05984	3.1
128.06203	4.5
129.07005	8.2
130.07692	1.2
131.08545	9.7
132.05740	1.4
132.81102	1.0
133.02834	1.7
133.06496	1.8
134.03658	1.3
135.04385	2.6
137.05959	1.4
141.07010	5.4
144.05670	8.7
145.06476	5.3
147.04382	2.3
149.05981	2.0
152.04662	4.5
153.05496	3.2
153.06857	1.2
156.05675	27.0
157.06374	4.6
158.07280	3.1
159.08047	15.3
161.05952	2.7
163.03912	4.7
165.07007	1.2
167.07024	100.0
168.05818	1.5
168.07364	3.9
169.06465	3.7
169.07678	2.4
172.05171	2.4
173.05933	5.1
174.03134	1.9
175.07594	2.5
177.05475	3.2
179.07101	2.6
181.05031	2.5
181.06439	2.5
181.08594	3.2
182.07265	2.1
183.06450	1.4
183.08022	1.6
184.05186	5.9
186.06740	5.0
187.07513	12.9
189.06924	1.6
190.06245	3.5
190.07805	2.8
191.07013	2.7
191.08569	2.9
193.08543	2.7
194.07201	1.7
195.06505	4.9
197.08018	1.4
201.09065	1.3
202.06206	10.5
202.07814	3.3
203.08592	2.3
204.07747	2.3
205.06599	2.0
205.08549	22.0
205.10381	2.0
207.06410	9.9
207.10085	1.9
208.05186	15.7
208.06964	1.9
208.08797	2.2
209.08020	3.8
210.06781	4.1
211.07487	2.6
213.05247	1.2
215.06831	2.2
215.08684	2.5
217.08563	67.5
218.07272	4.1
218.09079	2.5
219.08012	10.7
219.10126	7.9
220.05290	1.3
220.08911	5.6
221.06029	5.2
221.09692	2.3
224.04712	1.4
226.06216	1.9
229.08546	4.2
230.07219	2.0
231.07982	8.9
231.10191	3.6
232.08792	1.8
233.06013	2.0
233.09561	4.8
234.06770	3.0
235.07501	2.7
236.04663	3.0
236.08258	4.2
237.09151	1.1
238.06290	3.5
239.06963	2.4
239.12558	1.8
240.04187	1.9
241.08530	2.2
244.08884	1.8
245.09671	2.9
246.06792	1.7
247.07462	12.2
247.09669	26.0
248.08179	11.2
249.05440	2.5
249.09044	4.2
250.06282	1.9
251.10670	2.7
253.08575	1.4
254.05800	6.1
255.06508	4.1
256.07132	2.6
259.07541	2.4
260.08127	1.9
261.09058	7.3
262.09845	3.9
263.07050	3.5
263.10611	11.5
264.04144	1.0
264.05106	1.0
264.07706	6.4
264.10306	1.4
265.08575	7.8
266.05640	1.7
266.09357	1.1
267.06445	7.5
267.09195	0.9
268.03735	1.4
269.08069	16.6
270.08286	1.6
271.09616	13.1
272.06735	4.4
273.09128	1.1
275.07004	7.2
276.07764	8.6
277.05286	1.2
277.08551	5.7
278.05798	1.3
279.07355	1.7
279.10074	7.1
281.08054	2.2
281.11334	1.3
282.05527	1.8
282.08783	8.2
283.05902	1.4
285.07651	2.4
287.09387	1.7
289.08469	2.6
290.05942	1.5
290.09265	4.6
291.10095	15.0
292.07297	4.5
292.10263	2.0
293.08029	10.8
293.11292	2.1
294.08585	1.5
295.09442	1.3
296.10287	1.4
299.09085	6.9
300.06360	2.3
300.09955	1.3
301.07022	3.2
305.07846	3.2
305.11417	1.9
307.06259	2.0
307.09546	12.3
308.10272	8.5
309.07639	2.2
309.11151	2.6
310.08237	4.5
311.12607	2.6
315.04877	2.0
315.08575	41.5
316.09201	4.5
318.08743	1.6
319.09616	10.2
320.10345	2.0
321.07498	4.5
321.11017	1.6
322.08176	1.7
322.11826	1.6
323.09076	2.0
323.12775	17.6
325.10483	2.9
328.09424	3.6
330.10934	53.5
331.11615	19.9
332.12131	2.6
335.09076	1.4
336.09921	5.3
337.10577	6.2
339.12210	9.3
340.12466	1.9
341.14044	1.8
343.11716	15.3
351.12244	26.0
352.12756	6.6
353.09915	5.3
356.12442	2.4
368.12573	8.1
369.13129	3.6
371.14771	4.4
383.14841	57.5
384.15094	4.5
401.16791	33.2
401.28351	1.4
402.16916	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
53.06428	1.3
55.01865	2.0
65.03931	1.7
65.67453	1.1
67.05508	3.5
69.03423	3.4
70.06576	3.9
71.03373	1.9
71.04982	1.7
72.08154	2.4
77.03913	2.4
78.04710	2.0
79.05482	20.6
80.01453	1.3
81.03400	4.0
81.07043	7.3
84.04494	1.3
85.02915	2.8
85.06535	1.4
86.09700	6.0
91.05467	12.0
93.07038	5.7
94.04190	1.7
95.04964	7.6
95.08601	3.2
97.02869	1.7
97.06520	1.6
103.05492	2.8
105.04459	1.6
105.07035	6.7
107.04943	44.3
107.08597	3.7
109.06496	3.4
109.10139	3.3
112.08715	1.6
115.05440	5.2
116.06186	2.7
117.06997	3.2
119.04922	1.9
119.08553	2.6
121.06497	3.3
121.10133	2.8
122.03702	1.4
123.04411	5.3
124.05158	8.1
125.05996	5.7
128.06207	6.1
129.06992	6.1
131.08534	12.2
133.06538	2.3
133.10101	2.7
134.03674	1.9
135.11700	2.0
137.05981	2.6
137.09561	2.2
140.04602	1.7
141.06975	4.3
144.05716	8.9
145.06522	6.4
145.10196	1.8
146.03615	2.3
147.04414	2.1
147.08023	1.9
151.03841	2.7
151.07555	2.8
152.04646	6.4
153.05492	2.9
153.06876	2.0
156.05670	28.7
157.06454	4.5
158.07275	3.0
159.08026	20.1
161.05934	4.1
163.03903	4.7
167.07016	100.0
168.07385	2.8
169.06367	2.5
169.07693	2.7
172.05185	2.5
173.05983	4.8
175.07550	3.6
177.05490	2.7
179.07014	3.3
181.04970	5.2
181.08588	4.1
183.06522	1.6
184.05121	8.6
186.06772	4.6
187.07510	17.5
190.06213	1.6
190.07724	1.7
191.07004	3.2
191.08562	2.6
193.08476	2.6
195.06509	5.0
202.06227	10.4
202.07793	3.5
203.08611	3.3
204.07742	2.0
205.06622	2.5
205.08534	20.0
205.10150	2.0
207.06430	14.6
207.08228	2.1
207.10088	2.5
208.05193	12.0
209.05960	1.9
209.08038	3.7
210.06708	5.2
211.07635	4.2
215.06871	3.4
215.08670	2.1
215.60204	1.3
217.08566	72.4
218.07201	5.2
218.08977	4.5
219.08037	11.6
219.10161	10.2
220.05392	1.4
220.08826	5.1
221.05971	4.1
221.09666	2.0
222.06668	1.6
225.05319	1.9
225.09142	1.7
229.08641	4.9
230.07283	2.5
231.08038	6.9
231.10059	3.2
232.08899	2.5
233.05937	1.9
233.09645	6.3
234.06749	2.9
235.07498	5.3
235.11177	1.9
236.04576	1.9
236.08241	4.7
237.09007	1.5
238.06252	3.2
239.06912	1.8
241.05038	1.7
241.08531	2.5
245.09537	3.8
246.06752	3.8
247.07454	11.8
247.09683	23.7
248.08170	12.2
249.05524	1.8
249.08994	5.3
250.06108	2.5
251.06992	1.5
251.10796	2.0
254.05713	3.4
255.06483	3.8
256.07242	3.2
259.07526	4.0
260.08136	1.7
261.09177	5.3
262.06332	2.3
262.09897	5.0
263.06973	3.4
263.10663	11.4
264.07874	7.2
264.10648	1.9
265.08536	5.1
266.06039	2.1
266.09030	2.3
267.06406	3.8
269.07922	10.1
271.09613	13.6
274.06506	1.7
275.06921	5.3
276.07791	8.8
277.08524	5.2
279.06610	2.1
279.10165	7.2
280.10880	2.3
281.08176	2.7
282.05612	2.1
282.08624	6.8
285.07440	2.4
287.09286	1.8
289.08423	2.1
290.09250	4.7
291.10062	15.1
292.07339	3.5
292.10602	2.3
293.08023	9.7
293.10992	1.8
295.09567	2.6
299.09183	8.7
301.07010	4.6
304.07050	1.6
305.08109	2.6
307.09589	11.6
308.10428	7.6
309.11200	3.0
310.08243	4.7
311.12717	2.9
315.08572	32.1
316.09229	4.9
318.08859	2.3
319.09622	8.3
320.10208	2.5
321.07559	3.9
321.11069	2.1
322.08304	1.8
323.12704	16.3
325.10681	5.1
328.09320	3.2
330.10910	34.3
331.11691	20.2
335.08929	1.7
336.09952	4.9
337.10638	5.6
338.07727	1.6
339.12100	7.2
341.10046	2.0
341.13745	2.5
343.11746	8.7
351.12192	30.5
352.12881	6.3
353.10107	6.3
356.12534	4.0
365.23096	1.4
368.12338	7.1
369.13181	1.5
371.14752	3.8
383.14862	46.0
384.15131	2.2
400.25403	2.1
401.15973	28.9
401.21423	25.4
401.28540	6.1
402.15637	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14200	26.7
69.14509	6.8
70.06582	6.3
72.08170	4.0
76.02052	4.0
79.05486	15.6
91.05480	11.2
95.04943	8.6
97.02657	5.3
104.32093	3.6
107.04940	48.0
115.05487	4.8
116.07044	5.2
124.05258	5.8
128.06187	7.6
129.07004	10.4
131.08543	9.5
144.05678	12.5
145.06500	6.0
147.24763	3.8
156.05696	32.8
157.06555	4.0
159.08015	24.6
167.07043	100.0
177.05594	5.4
184.05153	7.6
186.06714	7.0
187.07518	16.6
202.06239	10.0
203.08545	6.5
205.08640	16.4
207.06497	8.4
208.05170	13.5
210.06783	4.1
214.00323	4.0
217.06592	8.8
217.08568	66.0
219.08031	13.5
219.09984	9.4
220.08876	9.0
221.05881	5.1
229.08809	4.5
231.08018	8.8
233.09544	5.4
235.07465	5.6
247.07458	17.8
247.09729	23.0
248.08337	11.9
250.06305	4.6
254.05682	7.3
255.06485	4.9
256.07184	4.8
262.06189	5.9
263.10715	7.8
264.07776	6.2
269.08060	16.7
271.09689	17.1
276.07764	8.5
279.10202	4.9
282.08932	12.3
290.09561	5.1
291.10193	13.0
293.08167	7.9
301.07056	6.1
307.09695	5.9
308.10196	7.8
310.08447	8.7
315.08563	56.4
316.09103	5.8
319.09656	10.8
321.07516	8.0
323.12775	15.5
330.11008	50.7
331.11688	19.2
337.10614	12.2
339.12234	8.7
343.11676	15.7
351.12399	19.4
353.10080	8.4
368.12424	5.8
383.14835	44.5
401.15738	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	401.1711
Annotation	Leu-HoPhe-OH
Peak:m/z	Relative Intensity
69.15743	1.2
69.16157	1.5
72.08160	0.6
79.05494	0.6
85.02888	0.4
86.09681	2.2
95.08578	0.5
98.23500	0.8
105.07021	0.4
107.04950	1.4
109.10140	0.5
137.05884	0.5
137.09642	0.7
140.40968	0.4
154.82033	0.4
155.57716	0.4
167.06943	0.6
171.05605	1.2
262.59668	0.4
271.10880	7.4
283.10883	0.6
299.10431	0.7
301.11835	4.9
327.09799	1.5
330.11029	0.6
353.14850	0.6
378.76636	0.4
383.16116	2.1
401.17123	100.0
402.17395	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	401.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94510	5.7
53.03931	10.8
55.01859	9.9
55.05505	26.9
56.50084	5.0
57.03426	10.0
57.07063	17.3
61.02919	13.2
67.05495	50.2
68.99768	16.2
69.03426	66.5
69.07064	62.0
71.04990	51.5
71.41150	6.5
73.02899	9.8
79.05496	38.4
79.37982	5.6
81.03404	46.6
81.07048	100.0
82.67119	5.4
83.04976	15.6
83.08616	12.9
85.02901	79.4
85.06539	7.1
87.00826	32.6
91.05457	47.4
91.12316	6.4
93.07026	55.1
95.04958	38.8
95.08592	57.6
97.02883	46.4
97.06531	9.8
99.04449	11.1
99.08102	5.9
103.03904	15.8
105.01857	11.0
105.07002	50.1
107.04955	34.7
107.08587	62.5
109.02840	34.7
109.06519	77.3
109.10136	44.5
111.04461	15.7
115.03908	19.0
115.05438	8.9
117.07021	19.1
119.08553	54.8
121.06470	30.3
121.10140	28.8
123.04430	17.9
123.08048	17.2
123.11692	20.9
125.05938	9.8
125.13249	7.2
127.03905	34.0
127.11191	9.4
128.06181	8.3
129.01758	14.8
129.06987	9.2
130.07738	5.6
131.08545	39.3
133.06465	12.2
133.10110	25.4
135.08087	7.2
135.11696	31.7
137.05966	11.2
137.09605	27.3
137.13251	19.2
139.11201	8.1
141.06981	7.5
143.08578	21.4
144.05643	9.1
145.06419	8.8
145.10080	34.5
147.02899	8.1
147.08017	17.6
147.11644	17.3
149.09540	10.1
151.11156	18.2
153.12747	23.9
153.32074	6.6
155.08572	7.8
156.05667	13.4
157.10101	7.1
158.07338	5.9
159.02910	11.8
159.08022	18.3
159.11720	13.3
161.05965	10.6
163.07468	8.9
163.11215	15.8
165.12741	34.5
167.07018	51.5
168.88959	5.9
171.02931	6.5
171.08054	9.7
173.05925	5.7
173.09607	26.9
175.07545	12.7
177.12709	35.9
184.05159	8.2
187.07658	6.5
189.03845	8.3
189.05452	6.4
191.10686	12.0
193.12222	10.2
195.13756	31.4
201.03914	8.8
201.12708	10.3
205.08479	8.6
207.13666	5.8
208.05272	6.4
215.14156	6.8
217.08604	28.7
219.13742	8.7
225.12648	5.9
231.04951	6.8
233.15465	8.2
237.14796	8.1
243.13742	32.7
247.07460	10.0
247.09753	9.1
254.06010	6.6
261.14923	48.7
271.09573	6.7
293.07803	7.7
299.09003	8.9
307.09497	9.0
315.08563	8.2
323.12732	7.8
330.10968	19.8
337.10297	6.3
339.12497	7.0
351.12292	12.6
359.73349	7.1
365.16006	9.4
383.15140	20.4
401.17404	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	401.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
63.88494	0.5
67.05506	0.6
69.03416	0.7
69.07069	0.7
70.06570	0.7
70.51208	0.6
70.51532	0.6
72.08135	0.5
79.05476	0.7
81.07036	0.8
83.04991	1.1
83.08625	0.6
85.02912	0.7
86.09702	1.8
91.05479	0.6
93.07030	0.7
95.08586	0.9
101.05962	0.7
105.07049	0.5
109.10121	1.0
123.08109	0.5
133.10156	0.6
134.06000	0.6
139.11154	2.9
144.67284	0.6
155.04242	1.3
159.01750	0.4
160.30363	0.5
165.09100	0.6
167.18425	0.5
177.20638	0.5
181.05084	0.7
210.14810	0.8
211.15260	0.9
220.07610	1.3
221.06053	0.7
239.16353	0.8
252.79231	0.5
268.13031	0.8
295.06061	1.6
318.06534	0.6
384.14117	1.5
401.16885	8.5
401.21436	100.0
402.16882	1.1
402.21729	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	401.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	29.2
67.05486	34.8
69.03409	19.1
69.07084	23.4
70.06601	20.9
71.04987	21.2
71.26129	19.1
73.72051	17.0
79.05489	36.6
81.03396	17.9
81.07046	55.0
83.04995	21.9
83.08612	18.0
85.02885	25.8
86.09699	20.7
93.07026	47.1
95.08571	42.3
97.02887	23.2
105.03379	40.9
105.06982	28.0
107.04927	33.5
107.08591	42.4
109.10148	53.1
111.04393	31.7
119.08585	44.8
121.10134	26.6
123.04475	17.9
123.11707	22.6
128.02675	15.1
131.08504	15.9
133.06549	17.8
133.10100	35.3
135.11661	38.6
161.05962	23.1
167.07024	100.0
171.11600	15.6
181.04924	28.1
189.16464	23.5
203.17929	21.1
205.08574	17.6
217.08614	21.5
247.09615	18.6
315.08640	41.7
383.14862	34.9
401.19055	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.4
57.07067	5.4
65.03909	3.4
67.05490	20.1
69.07064	14.5
70.06569	3.5
71.04971	12.0
79.05483	20.6
81.07049	32.5
83.08627	6.3
88.07619	4.7
91.05461	43.1
93.07030	51.9
95.04943	14.5
95.08604	23.4
97.06497	3.1
103.05463	5.2
105.04500	2.8
105.07012	100.0
107.08578	37.9
109.05758	2.9
109.06503	59.3
109.10146	16.1
111.08076	7.0
115.05443	6.2
117.07000	21.9
119.08566	79.6
121.06475	3.0
121.10130	23.2
123.08063	3.0
123.11718	3.0
128.06212	14.7
129.07007	21.2
130.07782	9.4
131.08559	57.0
133.10117	82.4
134.10464	2.8
135.08023	14.3
135.11676	19.8
136.84210	2.5
137.09605	4.8
141.06979	7.3
142.07747	29.8
143.08554	45.9
144.09322	9.9
145.10097	90.2
147.08046	7.8
147.11665	19.3
149.09618	4.1
153.06961	3.2
155.08537	21.6
156.09300	19.1
157.10103	62.1
158.10826	11.2
159.11673	32.0
161.09622	5.3
161.13251	3.8
165.06978	8.1
167.08522	10.2
168.09270	8.4
169.10117	21.7
170.10873	9.3
171.11674	29.7
172.12389	3.8
173.09651	2.6
173.13239	40.6
175.14807	14.6
179.08554	13.9
180.09312	8.7
181.10110	13.8
182.10930	7.3
183.11644	26.2
184.12489	4.4
185.13226	15.6
187.14809	33.7
189.12708	3.6
192.09364	3.3
193.10133	10.6
194.10870	9.4
195.11662	23.7
196.12335	5.5
197.13228	18.9
199.14758	21.7
201.12706	8.6
201.16312	4.5
205.10150	2.9
206.10901	8.7
207.11581	15.7
208.12286	3.0
209.13231	24.9
210.14020	3.9
211.11113	3.0
211.14822	10.6
213.12845	4.4
219.11763	4.3
220.12331	3.1
221.13269	16.2
222.13889	3.6
223.14742	11.7
224.15555	3.1
227.14282	3.2
228.04985	2.7
231.11713	5.0
235.14871	7.9
237.16325	5.4
239.14511	2.9
239.17766	3.6
240.23048	3.5
245.13216	5.9
247.14957	3.0
249.16336	3.6
251.17871	4.8
252.18597	4.2
253.15858	3.2
256.69919	3.2
261.16315	6.2
263.17993	4.9
265.19510	7.5
273.16312	3.2
277.19498	4.5
287.17758	3.3
317.22607	2.8
331.24234	3.1
339.34241	3.4
340.35843	4.7
343.24103	2.9
346.39612	3.4
400.37219	4.2
401.17627	7.8
401.28259	32.5
401.38135	8.1
402.14240	4.4
402.39331	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	402.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
57.03429	2.2
60.88602	0.7
61.02905	2.0
69.03421	7.8
69.07040	2.5
69.52106	0.9
69.52449	3.3
70.06571	2.8
71.04966	0.7
71.52347	0.7
72.08140	3.6
77.43830	0.8
79.05474	2.2
80.05006	0.9
81.03394	1.5
81.07044	3.1
84.08121	1.8
85.02901	11.5
86.09693	5.7
91.05475	1.5
96.08118	9.7
96.45670	0.8
97.02881	11.0
97.06515	1.7
105.07005	0.8
106.06545	1.4
107.04928	1.0
108.08113	1.2
109.02828	1.1
109.06516	2.7
110.06052	1.5
110.07169	0.8
115.03905	6.3
120.08081	2.7
120.25355	0.7
122.56026	0.7
124.07581	54.0
125.07902	0.8
126.09144	36.6
127.03867	1.0
131.08562	1.3
134.09644	1.3
137.05977	11.9
145.04958	2.2
148.07556	2.7
148.11241	4.6
150.09109	2.6
152.10704	2.2
161.05884	1.1
162.09142	2.1
165.05452	8.0
176.10710	5.3
178.08562	2.1
186.12300	0.8
194.11745	2.0
196.09711	1.9
204.10173	0.8
205.08647	2.3
213.05547	1.3
222.11264	5.2
223.09726	1.8
240.12285	100.0
241.12589	5.7
258.13300	3.8
268.06119	1.2
290.51303	0.7
318.80432	0.7
402.29019	1.4
403.14151	6.0
403.19998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93884	0.5
53.03926	1.0
55.01867	0.7
55.05507	1.0
57.03432	2.5
61.02941	2.6
63.24826	0.6
69.03427	7.6
69.07069	3.5
69.52257	0.5
70.06572	1.4
71.04964	0.5
71.13676	0.7
71.21473	0.5
72.07801	0.5
72.08148	4.2
73.02907	0.6
77.51669	0.6
79.05464	1.0
81.03415	1.2
81.05789	0.9
81.07043	2.1
83.08595	0.6
84.04496	0.7
84.08137	1.2
84.55669	0.5
85.02896	10.8
86.09699	3.4
91.03922	0.5
91.05450	1.3
96.08131	4.0
97.02889	9.8
97.06516	2.0
98.06009	0.5
99.04449	0.7
105.07034	0.7
106.06554	0.9
107.08569	1.3
108.08072	1.4
109.02900	1.1
109.03591	0.6
109.06506	1.6
110.06033	0.9
110.07177	0.9
114.62497	0.5
115.03947	4.7
119.08553	0.9
120.08115	2.6
121.06498	0.7
122.09616	0.7
124.07584	26.9
126.05505	0.9
126.09145	28.9
127.03893	2.4
127.09482	1.0
129.10201	0.5
133.06480	0.7
133.10043	1.3
134.09641	2.2
136.07556	1.5
137.05946	3.1
145.04933	1.2
147.06755	0.7
148.07561	3.0
148.11197	10.8
149.05974	0.6
149.09526	0.6
150.09119	2.0
152.07059	0.9
152.10733	2.8
161.05884	0.8
162.09099	3.6
165.05453	1.8
176.10703	8.2
177.09024	0.7
178.08585	1.2
179.10651	1.5
180.10165	0.8
181.04936	1.0
182.05363	0.7
194.11761	3.9
196.09688	2.9
204.10158	1.4
205.08629	0.7
212.12698	1.3
214.11841	1.5
222.11232	10.4
223.09540	0.6
223.11557	0.7
240.12283	100.0
241.12650	4.4
282.55215	0.5
323.11203	0.9
339.10727	0.6
383.48080	0.5
402.16803	0.6
402.24295	0.5
403.15054	0.7
403.19931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	2.1
65.03918	1.2
69.07047	1.3
71.44285	1.2
76.56760	1.0
81.07047	1.1
84.08135	2.5
85.02897	2.4
95.37350	0.9
97.02888	1.6
119.08508	1.4
121.02847	3.4
127.03933	1.2
129.01822	1.1
137.66301	1.1
147.23897	0.9
149.02321	100.0
150.02663	3.6
152.28659	1.1
167.03336	2.1
188.83020	1.0
203.90112	0.9
205.08565	2.9
223.09567	8.9
297.57809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	2.1
65.03918	1.2
69.07047	1.3
71.44285	1.2
76.56760	1.0
81.07047	1.1
84.08135	2.5
85.02897	2.4
95.37350	0.9
97.02888	1.6
119.08508	1.4
121.02847	3.4
127.03933	1.2
129.01822	1.1
137.66301	1.1
147.23897	0.9
149.02321	100.0
150.02663	3.6
152.28659	1.1
167.03336	2.1
188.83020	1.0
203.90112	0.9
205.08565	2.9
223.09567	8.9
297.57809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45507	1.4
53.03931	1.7
55.01862	8.2
56.96551	2.2
57.03431	18.4
59.04993	1.8
61.02920	11.2
68.62241	1.6
69.03423	34.0
69.03798	2.8
69.66859	2.2
69.67198	5.2
70.06585	3.6
71.01340	3.6
72.08139	3.8
73.02906	59.7
73.06546	100.0
81.03421	3.6
84.04506	1.4
84.08137	8.3
85.02892	76.0
86.09695	3.2
87.04462	3.9
91.03951	3.3
91.07583	15.3
97.02246	3.2
97.02878	59.7
98.23405	1.7
99.04440	3.1
103.03939	2.7
109.02882	7.5
115.03922	31.4
121.06503	2.6
127.03896	20.2
133.04942	33.5
137.05966	3.2
145.04932	31.8
145.08600	1.8
152.07089	2.6
153.49556	1.5
163.03847	1.7
163.06001	9.3
165.05362	1.6
187.09639	6.8
193.04857	1.9
199.05995	2.3
223.06042	5.7
223.11749	2.9
240.12250	5.9
241.07021	6.7
253.12611	2.3
259.08157	8.9
277.09055	2.8
295.10284	3.9
304.04868	5.6
403.15292	5.0
403.20517	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63607	8.2
55.05490	26.7
57.33805	8.3
62.83992	9.2
67.05486	39.2
69.07053	21.6
70.83324	10.7
79.05480	30.5
81.07039	52.1
91.05480	12.7
93.07019	35.0
95.05016	8.9
95.08565	19.9
97.06514	13.4
105.07011	23.8
107.08570	29.9
111.08040	11.5
119.08617	16.4
121.10136	15.3
121.92185	8.6
133.10056	11.5
145.10094	9.8
159.11577	11.6
162.26674	10.9
164.23515	9.0
183.02963	12.0
239.42072	8.1
246.38844	8.5
255.15964	11.3
269.17407	29.3
275.20020	17.0
286.20068	11.7
327.08768	10.4
349.23590	17.6
349.38373	9.2
373.09180	87.4
403.13824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.1
56.69919	8.2
63.58356	8.1
67.05489	31.3
69.07056	9.0
69.31438	40.3
71.08620	23.8
81.07044	37.5
83.04927	8.5
83.08604	10.3
88.07602	14.7
91.61863	7.8
93.07052	12.2
95.08608	18.2
99.08080	25.5
102.09162	11.1
123.11736	8.9
135.11673	10.0
147.11743	19.0
155.08737	7.8
229.14313	16.3
243.21004	16.8
250.73186	7.9
261.22165	23.2
279.23105	33.5
340.34793	23.0
353.26749	42.0
373.09177	50.6
402.38452	100.0
403.13757	51.7
412.23322	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	402.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31497	7.3
55.05496	12.1
57.03036	6.3
67.05491	31.3
68.56016	7.2
69.07050	12.5
70.06564	8.0
70.19742	13.7
71.08623	41.6
79.05480	13.2
81.07061	43.9
83.08597	8.8
88.07623	13.9
91.05494	8.0
93.07028	11.6
95.08597	42.4
97.10179	7.7
99.08083	27.1
105.07071	7.3
106.45026	6.0
107.08600	11.2
108.99429	7.3
109.10146	21.2
116.96192	6.5
121.10098	16.7
123.11640	6.5
125.25375	6.8
127.15376	7.0
127.39640	7.5
132.39117	6.7
147.11656	21.2
149.13255	15.2
161.13205	11.1
163.14767	9.1
165.12727	8.3
173.11781	9.4
173.13200	8.6
183.02881	13.5
211.02315	9.9
220.49355	6.5
243.21025	19.2
261.22107	21.2
279.23166	36.1
283.26309	9.4
327.08493	16.4
340.34702	10.2
353.26758	44.9
373.09082	75.3
388.11520	7.4
402.38779	56.3
403.13846	100.0
416.66702	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	402.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33805	6.4
55.05492	17.2
57.07099	6.8
67.05508	35.4
69.07059	12.0
70.30140	6.7
71.44502	8.0
73.40749	8.3
75.14947	7.1
79.05471	22.8
81.07043	29.4
83.08625	7.6
91.05478	11.7
93.07033	22.4
95.08601	21.1
105.07009	12.6
107.08575	21.7
109.10153	14.7
119.08578	11.7
121.10140	13.1
123.11741	9.2
129.01822	12.4
129.09071	12.3
131.08545	11.0
149.13223	11.0
149.96568	7.7
163.14796	10.5
163.20566	7.8
176.53351	8.3
183.02853	15.2
243.21046	20.3
261.22168	48.8
304.26443	16.5
330.33615	14.9
350.46933	7.6
358.06824	8.8
373.09137	86.8
388.11578	10.4
402.36105	12.8
403.13858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
57.07065	7.4
58.06582	2.0
58.95280	0.3
69.07032	0.6
69.09460	0.4
69.48843	1.1
70.06578	17.8
70.47673	0.4
71.08613	3.6
72.08149	1.0
82.77885	0.3
84.08136	0.5
84.48162	0.4
84.80142	0.4
85.10146	1.2
85.12816	0.3
86.06036	0.4
86.09694	0.5
86.75542	0.3
88.07611	24.6
93.70572	0.4
94.96336	0.4
96.56788	0.3
102.09159	16.2
129.36404	0.4
132.10193	1.1
146.11778	0.8
150.11212	0.6
150.97130	0.4
196.13364	0.4
296.33093	0.9
322.34399	0.4
340.35663	40.0
341.36023	3.1
373.09015	2.4
384.38080	3.1
402.39313	100.0
403.13721	2.3
403.18445	0.4
403.39673	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	403.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48129	1.8
54.54932	2.2
56.96553	17.5
60.72765	1.9
67.03985	2.0
68.05217	1.8
70.23427	3.9
71.98273	2.1
72.07185	2.2
78.41834	1.9
84.08144	3.5
93.07075	2.5
96.08028	2.0
129.01820	3.9
131.38890	2.1
139.00656	2.0
151.07510	20.2
172.51270	1.9
175.84512	2.0
181.08586	6.0
191.16248	1.8
205.09152	2.9
225.07990	5.5
248.09520	15.3
251.09483	3.2
265.02631	2.4
266.10550	17.7
267.09058	4.8
267.69775	2.1
269.10504	2.2
276.75107	1.9
284.11530	9.8
318.17432	3.7
334.16901	6.0
336.18497	5.7
352.17899	2.6
354.19095	3.0
362.16299	23.1
365.37927	2.4
370.17560	2.3
380.17383	100.0
381.17783	3.9
398.18500	11.0
403.14227	4.4
403.20233	10.4
404.10913	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	403.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02925	0.2
65.03918	0.4
66.04702	0.3
67.05493	0.6
75.04465	0.5
75.37302	0.3
77.03930	0.3
78.04707	0.7
79.05490	1.4
80.06245	0.8
84.08134	0.4
90.04704	0.9
91.05466	5.1
93.07008	0.9
95.04969	1.0
103.05472	0.8
105.03393	0.7
105.05447	0.4
105.06989	1.5
106.04154	1.1
107.04937	8.4
108.05726	4.5
109.06520	1.1
115.05439	0.5
116.06173	0.4
117.07001	0.8
118.04165	0.8
119.04944	0.7
121.06484	2.4
123.04403	1.1
123.08062	0.7
128.06131	0.3
129.01869	0.7
129.06981	0.4
131.04887	1.3
131.08572	0.3
133.06464	1.8
135.04375	2.7
135.08052	1.2
136.05173	5.1
137.05986	3.0
138.06769	2.0
139.07495	0.4
145.06471	1.7
146.07246	1.6
147.04359	0.4
147.08061	1.9
148.05167	7.0
149.05881	0.8
149.09636	0.6
150.06752	1.3
151.07518	100.0
152.07826	2.8
153.05486	0.3
153.09102	0.4
158.07260	0.6
159.08035	1.0
160.08749	0.9
161.05954	3.7
161.09573	0.4
162.06706	0.5
163.07512	4.8
164.08240	0.8
165.05470	0.9
165.09073	3.9
166.06238	10.0
167.06995	2.1
168.07642	0.4
171.07941	0.5
172.08868	0.9
173.05911	0.7
173.09564	0.4
174.06744	0.8
175.07512	1.0
176.08272	2.9
177.05615	0.3
177.09077	7.6
179.06992	0.9
179.10667	1.6
180.07767	1.2
181.08568	49.4
182.08990	1.7
186.10371	0.5
187.07529	1.0
188.08307	1.1
189.09026	3.5
190.09767	0.9
191.10645	3.5
192.07779	0.3
193.08563	2.3
194.09221	0.5
195.10071	1.5
201.09036	0.9
202.09869	1.2
203.07118	0.3
203.10605	3.2
204.11169	0.3
205.08562	0.8
207.10095	3.1
209.11627	0.6
215.10568	0.3
216.11443	0.7
217.12177	1.8
219.10129	0.6
221.11716	1.2
233.11661	1.5
247.13243	0.7
322.15872	0.4
338.15997	0.4
339.15680	0.6
353.17480	0.8
354.18179	3.2
355.18774	0.5
370.17697	12.2
371.17990	1.3
385.20007	5.0
386.20169	0.4
403.13654	0.6
403.20673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61768	1.1
65.92213	1.1
69.03414	2.2
69.27879	6.5
82.70039	1.3
85.02892	11.4
90.48008	1.2
91.05467	18.1
97.02889	3.0
98.23473	2.1
106.58786	1.1
119.04919	25.5
123.04428	2.0
123.11686	3.0
127.03923	2.4
131.04921	1.0
133.02858	1.3
145.04965	1.4
147.04385	28.2
149.02295	2.1
149.06064	1.3
157.03947	1.4
161.05959	2.5
161.09631	1.3
163.03891	2.8
164.04611	2.1
175.03880	48.5
176.04292	1.7
177.01640	1.2
179.06932	2.0
179.99519	1.1
180.08685	1.8
189.09109	5.0
192.04118	14.5
207.06488	100.0
207.10109	9.1
208.06859	4.6
225.07532	28.5
252.08636	3.2
318.39874	1.1
404.13544	1.8
405.16800	5.0
405.21561	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01866	5.5
55.31990	0.4
57.03414	0.4
59.04993	2.1
59.62600	0.5
69.03419	8.3
70.06593	0.4
70.56110	0.9
70.56464	0.7
70.85907	0.4
72.58755	0.5
73.02903	0.9
76.75169	0.4
81.03410	3.9
85.02883	4.1
87.04458	4.1
97.02884	11.3
99.04452	0.5
108.04478	0.6
109.02831	2.2
115.03915	100.0
116.04224	1.5
127.03920	4.2
130.79222	0.4
133.04956	9.7
145.04918	3.2
173.20396	0.5
186.71155	0.5
187.06018	1.7
241.07028	1.1
259.08057	5.3
259.69278	0.5
277.09204	0.9
297.29755	0.5
326.83795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	19.1
65.26929	0.9
94.04173	2.0
98.97565	100.0
102.04974	0.8
114.99444	1.1
116.98602	63.3
122.03625	3.2
134.99632	24.1
137.05952	41.8
138.06297	1.8
140.00151	3.2
153.00691	1.3
158.01222	1.4
179.00145	1.8
193.01765	1.2
197.01256	2.6
198.01958	1.6
211.02846	1.1
220.00389	2.0
224.09628	1.6
226.11118	19.2
235.02724	60.0
236.02992	1.4
238.01479	2.9
244.12167	7.9
253.03795	93.6
254.04187	3.8
267.14038	1.4
268.12186	3.9
271.04816	4.5
276.05374	8.1
280.12067	1.2
329.12955	1.3
344.15219	8.6
362.16528	2.7
362.21497	1.0
374.09583	1.4
390.35736	0.9
404.17395	70.0
405.17856	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	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01871	4.1
55.05496	4.8
56.84513	2.2
61.02921	3.4
65.35906	2.5
66.89877	2.8
67.05491	5.4
69.03423	10.5
70.98935	2.2
71.04982	12.9
79.05482	12.2
81.03403	5.5
81.07046	38.8
85.02891	17.8
85.06518	3.0
91.05452	22.5
93.07034	35.1
94.07362	2.4
95.04946	4.4
95.08594	8.1
97.02874	21.4
99.04437	43.5
103.05473	3.1
105.07018	60.9
107.04947	9.4
107.08575	20.0
109.02876	2.6
109.06521	8.7
109.10139	4.1
111.08057	23.1
117.07026	4.7
119.04922	3.9
119.08585	8.4
120.08135	3.2
121.06497	7.2
123.08057	3.3
128.06190	5.4
129.06953	3.2
133.06502	10.9
133.10114	76.8
137.05946	29.5
143.08565	11.4
145.04973	2.9
145.10124	8.5
146.07245	4.8
147.08104	2.7
151.07547	11.3
151.11145	5.3
161.05975	2.9
161.09596	100.0
162.09898	5.2
163.11165	15.4
165.09125	4.1
167.07014	5.3
171.08061	3.1
179.10625	37.9
181.05057	2.9
189.09067	35.4
207.10181	22.6
208.32535	2.5
225.11176	86.1
271.39969	2.6
324.08429	3.2
337.75565	2.3
351.14423	4.8
380.60190	2.5
387.14209	3.4
404.13681	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	404.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	8.5
67.05483	9.6
69.03405	12.5
70.06594	4.3
71.04977	15.1
79.05481	16.2
81.03413	5.9
81.07047	42.9
84.87400	3.7
85.02888	21.0
85.06512	4.7
91.05475	25.0
93.07033	36.2
95.04929	7.7
95.08602	6.8
97.02859	18.3
97.06512	11.0
99.04449	41.1
105.07011	63.1
106.30184	3.7
107.08578	22.6
109.06503	8.2
109.10113	7.3
111.08053	22.1
117.06984	5.5
119.04939	4.3
119.08526	6.1
121.06519	7.3
121.10181	4.7
128.06195	6.2
131.08548	5.6
133.06470	11.0
133.10115	99.9
133.11124	5.4
135.11644	4.5
137.05986	22.3
137.06871	4.1
137.09576	6.9
143.08534	11.0
145.10071	6.8
151.07576	5.5
151.11153	8.4
161.09595	100.0
163.11136	25.3
179.10651	47.6
189.09062	33.6
190.68742	4.2
200.14291	9.1
207.10126	25.2
207.13806	10.0
225.11189	99.5
236.52414	3.9
242.17729	4.1
404.23337	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	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.9
68.02387	3.4
69.03424	8.1
69.75913	3.4
70.06591	3.9
70.96674	3.1
71.04983	3.7
71.53944	2.9
72.04491	9.2
72.08139	4.3
79.05481	8.0
84.08134	4.0
85.02888	15.5
86.09721	5.5
91.05460	17.9
95.04913	3.8
97.02865	8.0
99.04394	3.8
100.07597	14.0
105.07037	3.4
114.05510	7.7
119.04935	18.7
123.04406	30.5
127.03890	5.7
128.07057	49.6
135.04434	4.9
137.05960	25.4
138.06305	8.2
145.06355	4.6
147.04372	32.6
149.05986	13.2
160.05185	22.6
161.05977	18.2
162.55188	3.4
163.03896	10.7
165.05460	12.0
169.04935	4.4
174.06694	5.4
175.03882	33.6
179.06998	4.7
181.06616	3.5
189.05328	6.2
189.09094	57.5
192.04128	9.5
194.97395	4.2
200.55013	3.2
207.06502	100.0
207.10159	22.0
210.03340	3.4
225.07520	28.9
241.10493	5.6
242.10791	7.8
243.06383	5.9
252.08621	15.0
252.97861	3.7
258.08652	8.1
355.12894	6.8
362.15842	4.8
373.13559	6.3
404.14899	15.0
404.19916	13.5
405.16827	17.5
405.21548	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	404.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68639	2.4
66.82969	2.2
69.03447	3.5
69.38985	7.7
73.02903	2.6
79.05484	3.0
85.02915	7.5
85.40713	3.0
85.41298	3.0
91.05464	14.5
94.09270	2.4
97.02872	2.9
105.07005	3.6
106.00821	2.4
109.90753	2.7
111.92372	2.7
119.04942	19.8
123.04429	11.4
127.03905	3.0
128.06145	2.9
132.04845	3.9
137.05934	8.4
137.07336	2.3
143.08554	4.1
143.60327	2.8
147.04399	26.4
149.05888	5.3
160.05186	12.4
161.05959	7.7
161.09607	10.7
174.06754	8.5
175.03896	27.5
189.09065	37.1
192.04166	12.1
207.06520	91.7
207.10130	100.0
208.10426	2.6
225.07524	34.6
355.11896	3.0
404.19897	4.6
405.16742	9.7
408.44843	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	404.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68639	2.4
66.82969	2.2
69.03447	3.5
69.38985	7.7
73.02903	2.6
79.05484	3.0
85.02915	7.5
85.40713	3.0
85.41298	3.0
91.05464	14.5
94.09270	2.4
97.02872	2.9
105.07005	3.6
106.00821	2.4
109.90753	2.7
111.92372	2.7
119.04942	19.8
123.04429	11.4
127.03905	3.0
128.06145	2.9
132.04845	3.9
137.05934	8.4
137.07336	2.3
143.08554	4.1
143.60327	2.8
147.04399	26.4
149.05888	5.3
160.05186	12.4
161.05959	7.7
161.09607	10.7
174.06754	8.5
175.03896	27.5
189.09065	37.1
192.04166	12.1
207.06520	91.7
207.10130	100.0
208.10426	2.6
225.07524	34.6
355.11896	3.0
404.19897	4.6
405.16742	9.7
408.44843	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	404.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01867	2.7
55.05503	3.1
55.73705	2.1
61.02915	4.7
67.05496	8.2
69.03419	13.4
71.04980	15.6
73.02894	2.6
77.03893	2.5
79.05475	13.6
81.03416	6.1
81.07045	37.4
85.02892	21.9
85.06518	4.5
85.96616	1.9
91.05469	28.6
93.07025	42.3
95.04957	6.6
95.08609	6.3
97.02892	22.7
97.06550	4.0
99.04447	45.1
103.05445	3.3
105.07024	64.6
107.04942	6.1
107.08581	21.5
109.02876	3.8
109.06516	11.0
111.08083	23.1
113.06001	3.3
115.05427	2.2
117.07015	2.3
119.04929	5.4
119.08580	9.9
121.06491	9.8
122.03629	3.9
123.08086	3.7
125.05946	2.7
127.03917	4.6
128.06195	7.7
129.06993	2.9
131.08517	3.2
133.06516	12.3
133.10110	82.7
134.10480	2.3
135.08046	4.9
135.11649	5.5
137.05962	46.6
137.86487	2.4
143.08560	12.6
145.04987	4.3
145.06401	3.4
145.10120	6.9
146.07271	5.1
146.63611	2.1
147.08028	2.6
151.07550	18.4
151.11150	8.0
157.06541	3.1
161.09598	100.0
162.09932	3.2
163.07498	4.5
163.11157	17.4
165.05423	2.7
165.09120	3.3
167.07056	6.3
167.08453	2.9
171.07922	3.4
175.07620	3.0
179.07080	3.2
179.10645	46.8
180.08742	3.0
181.04982	6.1
189.09085	45.3
205.08531	2.6
207.10124	27.3
225.11179	94.7
226.11456	3.5
227.10690	2.7
227.31032	2.3
230.70193	2.3
233.08038	3.1
242.13953	3.0
255.09953	2.8
284.01785	2.7
287.12720	3.1
303.76056	2.6
313.14624	2.6
317.91516	2.5
342.87878	2.4
351.14508	4.6
387.14322	5.3
404.13580	2.6
405.15286	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	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94863	2.3
57.03424	3.2
60.59675	2.1
61.02941	2.3
69.03423	7.4
69.85376	2.8
69.85707	4.7
70.06584	5.3
72.08152	3.9
76.95601	2.1
81.03428	4.9
84.08150	6.7
85.02892	21.3
86.09669	3.3
91.05481	3.0
97.02901	8.3
98.23395	3.4
107.04923	3.3
109.02867	4.0
115.03210	2.9
115.03944	21.4
116.04146	2.1
119.08606	3.1
125.10765	2.4
127.03857	4.2
128.06215	4.4
132.80522	2.3
133.10095	2.8
143.08607	3.7
145.04965	4.1
146.07274	3.1
147.04440	5.2
149.05981	8.0
151.03973	2.9
160.05183	18.1
161.05968	19.2
161.09599	6.9
163.07558	16.6
171.08047	3.9
174.06784	7.7
189.09082	100.0
190.09451	7.2
207.10123	19.0
404.21472	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	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41873	10.0
70.51350	18.5
81.03413	12.9
83.07018	8.5
84.04504	8.9
84.08123	11.5
85.02898	26.7
86.09691	36.5
87.10014	10.0
92.04813	10.6
93.07001	12.6
95.08588	33.3
95.17788	10.2
105.07010	18.4
107.08611	15.0
115.64874	9.1
119.08569	19.7
121.10114	15.2
125.09692	10.7
135.08075	17.5
137.06007	14.8
141.66628	10.3
145.10104	11.1
149.09572	15.3
165.09071	10.2
171.11697	27.7
189.12718	22.9
207.13777	100.0
235.39091	9.7
253.98564	8.7
383.70844	10.7
405.16962	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	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.3
55.31876	3.8
69.03421	9.5
79.05498	5.7
85.02889	28.8
91.05469	11.2
95.04964	6.5
97.02870	11.7
99.04447	5.2
103.05447	10.7
105.07005	11.5
107.04913	4.6
107.08578	5.7
108.84862	4.3
111.04407	7.1
119.04904	10.9
119.08575	6.2
123.04399	100.0
127.03907	4.4
128.72458	3.8
130.04138	5.8
130.06456	4.8
130.17625	3.5
131.04909	19.8
131.08511	5.0
133.06477	5.7
135.04366	5.2
135.08046	6.6
137.05995	7.7
138.06749	6.4
139.03900	3.6
147.04404	25.4
147.08008	5.9
148.05150	27.4
149.05910	6.7
159.08080	4.5
160.05151	11.4
161.05927	24.4
162.06735	6.5
163.03918	4.8
163.07506	26.2
165.05440	10.5
166.06247	7.1
174.06706	5.1
175.03854	31.2
177.05428	4.9
187.03876	8.1
189.05434	14.4
189.09070	18.0
189.12666	4.4
207.06459	19.7
207.10152	34.2
207.13715	12.5
219.06339	5.4
225.11218	14.6
234.15955	4.0
235.05992	20.6
247.05965	12.0
327.08636	39.4
331.04706	4.3
341.10019	7.7
342.83813	4.0
369.09598	5.0
404.14087	5.4
405.12106	4.5
405.17059	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	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09332	3.8
55.05502	5.6
57.93215	4.1
62.55330	5.2
70.69851	6.1
71.04987	5.9
79.05486	10.3
81.07098	6.5
83.45567	4.6
84.08140	5.5
85.02916	9.2
85.06561	8.6
91.05495	19.3
93.07060	8.6
95.08611	5.6
95.54686	4.3
102.80280	5.0
105.07021	49.7
107.08569	9.8
109.06508	13.6
117.07035	6.5
119.08562	56.1
121.10104	8.5
123.08063	11.0
123.11677	5.2
124.07587	19.1
131.08591	10.5
131.35294	4.8
133.06566	6.1
134.62585	4.6
137.05963	12.1
137.09598	9.7
140.10680	9.0
145.10110	20.5
147.11662	84.4
148.11977	5.8
149.09525	9.8
151.07561	18.0
156.09311	8.4
161.05957	8.8
163.11205	6.7
165.12729	6.2
168.07315	5.9
189.09138	7.7
189.12721	48.3
207.13774	100.0
207.15587	8.9
208.14243	11.1
224.12837	8.6
242.13916	35.8
301.09589	5.5
339.67029	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	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76503	1.1
65.03930	1.5
67.05502	2.4
67.85836	1.2
69.03397	2.2
69.09449	8.2
71.27222	1.0
79.05478	1.8
80.30115	1.2
81.03401	1.7
83.04963	3.2
84.08189	1.6
85.02892	3.2
91.05468	1.6
94.04183	2.0
95.04962	2.0
95.08595	3.5
97.06527	1.2
101.79307	1.0
102.44859	1.2
107.04930	3.1
107.08619	1.1
109.06528	3.2
110.13401	1.2
111.04401	1.3
113.16566	1.0
115.05439	1.1
115.08725	1.3
117.07020	1.4
121.10111	2.6
122.03645	5.4
123.08056	100.0
124.08389	4.4
129.06979	1.6
131.04936	2.1
133.06503	1.6
137.05962	63.6
143.04929	1.3
145.06511	2.1
145.10124	1.3
151.03944	2.1
151.07469	1.6
155.84805	1.2
161.05972	2.9
167.07028	6.0
175.07616	1.3
181.04939	11.1
181.12247	8.9
201.05414	1.7
204.66333	1.2
205.08551	1.3
207.13768	2.5
225.14774	9.2
233.08118	3.7
235.09488	1.4
251.00404	1.2
251.09071	4.9
263.09167	3.0
307.67532	1.2
387.14386	10.5
405.15298	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.2
67.05502	1.8
68.32070	0.7
69.03416	1.6
70.95860	0.8
74.72809	0.8
77.06000	0.6
79.05476	2.2
81.03397	0.8
81.07043	1.7
83.04964	2.1
84.93085	0.8
85.02435	0.7
85.02893	3.2
90.06565	0.7
91.05470	1.4
93.07041	1.4
94.04176	1.4
95.04954	1.4
95.08587	3.1
97.06525	1.7
103.60219	0.8
105.07041	1.4
107.04914	1.6
107.08600	1.1
109.06510	3.5
109.10159	1.1
110.48714	0.8
111.04422	1.6
119.08558	1.8
121.10133	3.5
122.03609	3.7
123.08057	100.0
124.08411	2.6
125.05992	1.5
127.03917	0.8
137.05965	56.4
145.06474	1.7
145.10095	0.8
147.08102	0.8
147.11595	0.8
149.09589	1.4
150.02966	0.7
151.03914	1.8
157.06471	1.3
163.11084	1.8
167.06982	3.9
171.04327	0.8
171.06448	0.8
175.07503	0.9
181.04942	8.5
181.12207	9.3
189.05460	1.3
201.05423	1.3
203.07030	0.8
205.08656	1.2
205.96364	0.8
207.13878	1.2
217.74097	0.8
225.14856	8.5
233.08095	4.2
235.09695	0.9
251.09041	4.6
263.08978	1.1
283.14532	0.8
337.10809	0.9
341.13614	0.8
387.14362	6.8
405.15372	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	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.3
56.96563	13.3
57.03441	6.8
67.05505	36.2
69.07047	5.7
69.29000	8.5
69.29390	11.8
74.02794	4.0
79.05470	9.2
81.07053	11.5
82.16305	4.6
83.08618	5.1
91.05480	8.1
93.07024	10.1
95.08605	12.5
98.97588	49.8
104.99284	8.1
109.10143	31.6
116.98622	38.2
119.08569	5.7
127.23973	4.3
134.99652	21.2
137.05983	28.4
140.00203	4.1
156.04425	10.2
164.92198	4.8
172.04010	8.9
173.11757	16.8
183.05533	9.9
201.04221	5.3
212.20409	5.1
220.00421	4.4
226.11179	10.0
229.14365	48.0
235.02809	38.4
244.12283	7.8
253.03816	51.1
271.88626	4.4
273.06372	4.7
276.05362	5.5
277.21552	7.2
328.07150	7.8
329.07953	39.0
330.08130	5.2
344.10287	19.4
351.25253	6.7
372.09796	100.0
372.14542	3.5
373.09888	13.2
374.09579	19.4
381.43204	4.1
404.13126	9.1
404.18134	33.8
405.22513	16.0
421.90356	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	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.4
55.05505	80.8
56.05019	19.9
57.03429	21.7
57.07062	7.5
64.60851	5.3
67.05499	71.4
69.03443	7.4
69.07064	32.5
70.09933	11.5
71.08627	89.8
79.05479	46.9
80.36079	5.1
81.07047	61.3
82.02042	5.6
82.06604	6.4
83.04961	8.2
83.08611	45.3
85.06561	5.8
91.05484	23.8
93.07022	37.2
95.04935	9.4
95.08606	34.5
95.29746	4.4
96.08174	5.6
97.06499	6.0
97.10161	80.1
99.08079	75.5
105.07021	23.8
107.04968	4.9
107.08582	41.1
109.10130	17.3
117.07025	7.0
119.08555	13.9
121.10095	9.4
123.07966	6.5
125.09624	54.0
133.10135	9.5
135.08089	10.9
135.11697	8.0
140.14323	30.7
145.10138	9.9
147.11671	7.1
151.11198	20.4
161.13255	11.6
163.11205	8.9
165.05476	19.4
173.11714	53.4
179.14232	6.8
189.11203	56.7
194.15375	16.4
204.05949	5.8
205.05002	6.4
227.12791	58.8
229.14278	12.5
245.13800	32.3
253.17921	17.5
259.20511	17.1
268.19000	9.1
269.17480	7.0
276.23300	7.2
277.21555	48.4
286.20065	100.0
302.77005	5.3
351.25348	55.5
368.27866	29.4
386.28925	24.5
404.14145	15.2
404.31055	6.6
405.22443	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	404.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16850	16.8
67.05498	56.6
67.49815	18.0
69.07069	33.2
70.51724	40.7
81.07052	100.0
83.08621	29.7
93.07053	28.7
95.08619	62.4
109.10138	26.0
112.94696	21.1
123.11788	22.9
125.02947	20.7
131.04942	30.2
146.30479	20.6
147.11671	19.3
175.07590	38.2
192.50877	20.1
245.22714	84.8
247.00224	19.0
263.23645	71.0
289.50101	20.8
337.27341	73.7
340.99612	21.9
355.28354	32.3
374.09494	79.3
404.14160	65.5
404.19989	19.6
404.31531	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32245	11.6
57.07042	12.2
59.80511	9.9
65.01981	10.0
67.05495	15.9
69.07051	12.6
69.69399	40.2
70.49428	11.8
71.08616	20.0
81.07022	26.7
85.10206	10.8
93.07011	10.3
95.08598	31.7
104.51899	11.5
117.05193	10.8
155.14359	14.2
182.70415	10.3
183.02879	16.1
185.59602	10.8
219.17146	11.8
221.16508	10.5
277.97812	10.5
355.28458	100.0
374.09521	52.6
404.14313	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	19.1
69.03408	1.1
69.11856	5.0
84.08128	1.1
85.02876	1.5
86.09680	1.2
98.23434	1.9
98.97567	37.4
111.04436	1.5
114.01067	0.8
116.98607	28.9
123.04382	2.1
127.03926	1.4
134.99641	14.5
135.04305	0.8
139.03848	2.9
148.99059	0.9
151.03886	1.0
153.00697	1.7
157.01698	1.6
160.99110	1.2
163.00697	0.9
163.03839	1.1
165.99359	2.2
167.00139	2.5
172.99130	1.2
175.02628	1.0
179.00168	7.3
181.01688	3.2
182.99634	1.1
184.00383	3.1
185.01186	4.7
191.00121	8.8
197.01184	20.3
198.01852	0.8
199.02672	1.2
200.98628	4.1
201.00456	4.2
202.01207	1.0
206.99669	1.4
208.00365	1.2
209.01175	17.2
213.00648	1.2
215.02231	4.1
218.99600	9.9
219.01556	1.5
225.00618	6.7
227.02266	3.2
229.00180	5.8
233.01109	3.2
235.02895	1.2
237.00664	100.0
238.01015	3.5
243.01767	4.0
243.04590	1.7
243.11954	3.3
247.00948	0.9
251.02260	5.0
253.04985	1.3
255.01695	62.1
256.01996	2.2
259.02774	2.2
260.02515	1.0
261.00644	11.3
265.01624	1.7
271.02780	2.8
271.05978	3.9
273.02847	1.2
274.04391	0.9
279.01706	25.9
280.02121	1.0
283.02740	3.0
289.03815	1.0
293.03595	0.9
297.02747	6.6
299.02133	2.7
301.03769	1.6
303.01675	1.5
309.00690	3.5
317.03329	2.9
321.02701	1.2
327.01666	17.8
335.04095	1.1
345.02737	36.3
346.02975	1.3
363.03793	31.5
364.03885	1.1
369.02783	2.4
381.04697	3.5
387.04034	4.6
404.15173	1.9
405.05035	2.9
405.17322	19.8
406.17856	1.3
407.03668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1515
Annotation	Flustramine H
Peak:m/z	Relative Intensity
56.96548	2.2
61.49246	1.5
67.75890	1.3
68.11986	1.4
69.03414	2.4
69.56273	1.2
70.80591	2.7
85.02879	1.7
91.05449	1.6
98.97568	2.0
105.53493	1.4
115.03915	1.5
123.04400	1.9
177.85060	1.5
207.06485	1.7
208.06799	2.0
219.01656	1.5
223.83362	1.4
225.07501	1.6
226.07579	1.6
237.00621	2.1
243.11903	3.6
405.15036	100.0
406.15369	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	405.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
53.04686	0.4
55.01856	1.0
55.05495	0.9
55.24699	0.4
65.03925	1.8
67.05479	1.7
69.03410	1.4
69.07052	0.6
69.77954	1.0
70.06563	1.2
71.04977	1.0
77.03941	0.4
79.05489	2.2
81.03405	1.8
81.07040	2.2
82.07351	0.7
82.19350	0.4
85.02885	1.5
86.09676	2.2
86.76298	0.4
87.10031	0.5
91.05459	3.8
93.03378	1.1
93.07028	1.4
94.04168	3.7
94.07336	0.7
95.04957	1.6
95.08591	0.9
97.02883	0.8
97.06529	0.7
98.22660	0.6
99.04444	1.5
100.04762	0.7
103.05476	0.7
105.03344	0.4
105.07030	3.1
106.07358	1.2
106.23612	0.4
107.04934	3.5
107.08581	0.6
108.02072	0.5
109.06512	1.4
109.10127	0.9
111.04418	1.8
111.08075	0.5
112.08388	0.5
112.93549	0.4
115.05447	1.9
117.06995	1.5
119.04910	0.9
119.08516	0.8
120.08057	1.3
121.06496	1.0
121.08440	0.5
122.03620	8.8
124.05225	0.7
125.05946	1.6
125.06795	0.5
128.06238	0.8
129.06989	1.1
130.06531	0.6
131.04893	1.5
133.06487	2.3
133.10074	2.3
134.10486	2.2
137.05956	100.0
138.06290	3.5
141.53952	0.4
143.04909	1.2
144.05721	0.6
145.06474	3.3
147.04375	0.6
147.08000	1.7
148.99240	0.5
151.03889	3.0
151.07520	2.9
153.05475	2.0
155.04858	0.6
155.06033	1.1
157.06430	1.4
159.43355	0.5
160.05193	1.2
161.05962	3.2
161.09641	1.5
162.09941	2.5
163.03908	0.6
163.07497	1.0
163.11238	0.6
164.11528	0.5
165.06857	0.4
167.07025	5.3
171.06511	1.2
172.05174	1.0
173.05934	1.2
175.07477	2.8
179.07019	0.8
179.10571	0.5
180.10915	1.1
181.04932	15.3
182.05302	1.0
187.07578	0.8
189.03828	0.6
189.05489	1.4
189.09059	1.3
190.09526	1.0
201.05457	3.8
203.07022	2.0
205.08617	1.7
206.05609	0.6
207.10100	0.9
208.10443	0.6
218.05716	0.7
221.08047	1.5
225.11174	1.5
226.11537	2.7
233.08041	7.1
235.09630	1.9
244.09619	0.5
249.09058	1.0
251.09123	7.0
255.10086	0.8
263.09021	4.1
264.07715	0.5
272.10324	0.5
277.08401	0.8
287.12723	1.0
291.02350	0.5
301.07047	1.1
309.11090	0.9
316.09460	0.6
324.09851	0.5
337.10681	2.4
357.13196	1.0
369.13284	1.4
387.14313	13.9
388.14673	1.0
405.15350	5.7
405.19745	0.4
405.24478	1.0
406.15567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1542
Annotation	Angeliferulate
Peak:m/z	Relative Intensity
50.33555	1.7
53.03934	2.5
55.01862	5.4
64.34836	1.8
65.03920	5.4
66.03535	1.6
66.98503	1.7
67.05494	4.8
69.03381	1.6
70.04266	5.0
70.27237	1.7
75.04465	4.1
77.03890	2.8
78.04684	9.1
79.05482	9.5
81.07047	4.0
85.02894	7.4
89.03899	2.5
90.88382	1.6
91.05471	27.1
93.03389	18.8
93.07027	11.7
95.04967	14.2
97.06516	5.0
103.05444	13.0
105.04545	2.7
105.07017	7.3
106.04161	45.8
107.04992	9.4
107.08610	2.6
109.02931	1.8
109.06554	3.7
111.04446	2.7
112.94686	1.7
115.05410	2.1
117.03364	1.7
119.04911	3.6
119.08516	2.7
121.06496	49.1
121.10148	3.5
122.03656	2.6
123.04379	5.4
123.08084	2.3
124.05182	4.4
125.05991	12.6
131.04904	5.6
133.06520	4.7
133.10115	2.5
134.03636	6.1
134.10410	1.9
135.04405	6.0
137.05978	15.3
138.06714	3.0
139.07538	4.1
145.02908	2.5
145.06479	2.4
145.10022	2.0
147.04378	3.4
147.11690	1.7
148.05170	3.0
149.05968	70.8
149.07193	4.2
150.06284	4.3
151.03891	28.8
151.05020	3.2
151.07497	4.1
153.05484	4.3
153.09088	17.5
161.05957	7.2
163.03860	6.6
163.07489	9.7
163.11122	3.8
164.11487	1.7
165.05492	2.9
166.06393	2.1
167.07018	40.5
168.07419	3.7
175.07550	3.8
176.54834	1.8
177.05444	39.3
178.05959	3.2
179.06969	3.3
181.04910	7.0
181.08582	28.9
191.07048	4.1
191.10648	2.9
193.08623	5.9
205.08621	4.0
209.08072	100.0
210.08533	3.6
227.12651	3.1
257.08066	2.4
363.38443	1.9
405.15030	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	405.154
Annotation	Angeliferulate
Peak:m/z	Relative Intensity
53.03934	0.4
55.01866	0.5
55.05482	0.2
55.14991	0.2
63.08642	0.2
65.03936	1.8
66.04714	0.6
67.05490	0.9
69.03410	0.5
70.06590	0.4
71.04985	0.3
71.44138	0.4
77.03924	0.3
78.04678	0.4
79.05476	2.3
81.03396	1.5
81.07039	0.9
81.73624	0.2
82.04181	0.4
83.04968	0.3
85.02890	1.0
85.04001	0.3
91.05470	1.8
93.03394	0.6
93.07036	0.6
94.04170	3.4
94.11938	0.2
95.04964	1.4
95.08595	0.4
97.06507	0.9
103.05450	1.0
105.04511	0.3
105.07013	1.9
105.17044	0.2
106.75725	0.2
107.04935	4.5
107.08588	0.4
109.06543	1.4
109.07185	0.3
110.03649	0.5
111.04406	1.5
115.05461	1.5
117.07034	1.5
119.08589	0.6
120.02083	0.3
121.06473	0.4
121.10111	0.2
122.02790	0.5
122.03635	8.1
123.04402	0.3
123.08053	2.8
124.05210	0.5
124.08395	1.6
125.05984	1.4
128.06216	0.7
129.06967	1.3
131.04909	1.1
131.08432	0.2
132.05707	0.3
133.06477	1.6
133.09973	0.3
135.04390	0.3
137.05954	100.0
138.03185	0.4
138.06296	2.6
140.75290	0.3
143.04897	1.0
144.05670	0.7
145.06474	3.4
147.04431	0.6
147.08035	1.5
149.05885	0.3
151.03888	2.6
151.04948	0.3
151.07486	0.4
152.04671	0.4
153.05412	1.7
155.04912	0.6
155.06009	0.8
157.06511	0.9
160.05173	0.9
161.05956	2.7
163.07513	0.7
165.05482	0.5
165.07214	0.2
167.07022	8.1
168.07321	0.4
171.04398	0.8
171.06572	1.3
172.05142	0.7
173.05917	1.3
175.07492	2.6
177.05409	0.3
181.04924	14.9
181.12161	0.4
182.05310	0.7
187.07562	0.7
189.05417	1.8
189.09074	0.4
190.06104	0.5
191.14285	0.9
193.08595	0.5
201.05428	3.0
202.07819	0.3
203.06998	2.6
203.08644	0.4
205.06741	0.4
205.08484	1.5
206.05707	0.4
206.07437	0.3
209.15416	0.8
215.06920	0.3
217.08543	0.5
219.08220	0.4
219.10167	0.3
221.07973	1.8
226.15164	0.4
227.16315	0.4
231.08096	0.6
233.08031	6.2
233.10191	0.4
234.06567	0.5
235.07545	0.4
235.09650	2.0
246.12260	0.4
247.07249	0.3
249.09044	0.6
251.06821	0.5
251.09135	6.5
255.06506	0.6
263.06714	0.4
263.09109	3.5
265.08618	0.5
277.08499	1.1
281.09192	0.3
294.08673	0.3
297.11249	0.4
301.07065	1.0
309.08231	0.4
309.11301	0.6
315.08371	0.4
316.09412	0.8
325.10654	1.0
337.10648	1.2
355.09424	0.4
357.13116	1.3
369.13171	1.0
375.14270	0.9
387.14325	12.8
388.14670	1.1
405.15320	5.1
405.20129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1542
Annotation	Angeliferulate
Peak:m/z	Relative Intensity
55.01862	8.9
55.39684	2.1
57.03471	2.1
57.47937	2.2
65.03930	9.2
67.05479	5.7
69.03420	2.1
69.07017	1.9
71.01328	2.4
71.04974	2.1
76.14900	2.0
78.63458	2.0
79.05473	10.4
81.03399	2.5
81.07056	5.4
85.02899	2.9
89.71092	2.2
91.05470	68.1
93.03379	2.7
93.07039	4.9
95.04948	15.9
95.08596	2.8
97.06525	3.3
98.44877	2.1
103.05442	7.1
105.03390	20.5
105.04485	2.1
105.07013	9.2
107.04939	10.0
109.02873	2.6
109.06490	17.4
110.03632	3.0
111.04458	5.4
115.05421	3.4
117.07048	4.7
118.04152	3.7
119.04926	85.0
119.08562	2.8
121.06458	6.6
121.10077	2.6
122.03642	2.9
123.04445	12.4
123.08042	6.5
124.05200	6.2
124.91675	2.0
125.05965	5.6
128.06187	2.3
129.07002	3.8
131.04910	7.4
133.02879	14.1
133.06461	16.5
135.04332	2.3
135.08017	3.7
136.05115	3.0
137.04938	3.0
137.05962	51.9
137.06999	2.9
139.03882	2.5
140.04616	3.9
140.50412	1.9
144.05762	2.5
147.04381	17.8
149.06001	2.8
151.03894	9.5
151.07521	49.4
153.05441	12.8
154.06113	2.4
155.07040	8.7
157.06445	3.1
159.07999	4.4
161.05951	16.0
163.03993	3.6
165.05461	31.6
166.06230	7.4
167.07013	17.3
171.06525	6.7
172.05142	2.9
175.07478	11.2
177.05504	6.8
179.07008	21.6
180.07768	13.1
181.04933	100.0
181.08420	3.8
182.05280	5.0
183.06526	4.4
187.07535	11.1
191.45882	2.0
193.04919	12.7
197.08070	3.5
203.07008	4.0
205.08559	9.5
207.06497	15.4
208.07283	40.3
208.09177	2.8
209.07867	6.5
220.94727	1.9
221.08078	4.0
225.07526	28.1
226.08296	28.4
227.12778	3.7
233.07994	14.9
268.50220	2.1
309.11426	2.1
369.12881	2.9
387.14316	6.1
405.14807	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	405.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.4
63.21411	1.3
65.33075	1.2
75.04483	1.6
77.03902	1.5
79.05466	3.8
81.03419	1.6
81.07027	3.4
91.04931	2.3
91.05468	27.0
94.04166	3.1
95.04972	6.8
98.22585	2.7
103.05462	5.9
105.07018	7.1
107.04929	7.7
109.06497	3.5
111.04424	2.0
115.05390	1.6
117.07003	2.5
119.04929	17.5
121.06490	7.5
122.03629	5.3
123.04442	4.1
123.08015	2.5
128.06213	6.7
129.06996	14.0
131.04887	6.9
131.08548	2.9
133.06479	5.3
134.03557	1.1
135.08070	6.0
136.05162	3.9
137.05966	66.2
143.04893	1.7
145.06491	5.0
146.03607	1.5
146.07259	1.3
147.04387	1.9
148.05179	2.5
149.05965	14.6
150.06712	2.7
151.03885	3.1
151.07521	100.0
152.06189	3.4
152.07735	2.6
155.08554	1.3
157.06448	10.3
158.07278	1.3
161.05952	15.9
161.09583	2.2
162.06668	2.2
163.07532	19.5
163.13437	1.3
164.08057	1.4
165.06992	7.1
165.09084	4.3
166.07784	1.9
167.07016	22.2
167.08531	14.3
169.06415	2.2
173.05925	1.4
174.06783	7.7
175.07533	10.5
177.07043	1.5
177.09062	4.4
178.07809	6.6
179.07047	2.1
179.08537	2.0
181.04974	2.0
181.06442	3.0
182.07259	1.6
183.07933	2.2
187.07594	1.9
189.09077	41.8
190.09523	1.9
191.08559	2.3
193.06454	5.1
193.08513	6.1
193.10150	7.0
194.07309	1.9
195.08020	18.9
195.09970	1.6
196.08594	1.5
197.05952	3.8
197.09560	1.7
202.07776	1.9
203.08586	2.3
205.06526	1.8
207.08237	1.3
207.10153	3.9
209.05902	1.9
209.09573	3.4
210.06726	4.6
211.07471	5.6
212.08270	3.9
219.08046	2.8
221.06111	6.6
221.09612	8.9
223.07544	8.9
224.08299	3.5
225.05450	2.7
225.09109	11.8
225.11115	2.0
227.07060	3.2
227.10638	20.9
227.77321	1.3
231.08105	2.3
234.06590	2.2
235.07321	1.4
237.09016	3.5
238.06184	5.0
239.06972	5.9
240.07704	3.6
241.08577	3.1
241.12315	1.4
249.09038	4.4
251.06932	1.6
251.10709	1.7
252.07767	2.0
253.08578	16.1
253.12201	11.5
254.09265	2.3
255.06381	2.7
255.10129	22.0
256.10501	1.8
265.08658	2.5
267.10080	4.0
269.08081	4.9
269.11606	2.8
270.08755	2.2
271.09503	3.1
272.10431	7.2
281.11679	8.9
284.10391	2.5
285.11176	16.0
286.11856	3.7
287.12717	38.5
288.13037	3.4
298.12100	3.0
299.12677	2.3
301.14218	2.5
311.12369	1.4
313.14325	19.5
316.13000	5.0
325.14282	1.8
329.13879	2.0
330.14581	22.0
331.15479	10.3
332.15741	1.2
359.14902	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96622	1.1
69.75481	3.2
69.98432	0.9
91.68018	0.9
104.99274	2.8
154.74605	1.1
156.96394	1.2
405.22440	100.0
406.22690	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	405.2245
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
70.37293	1.0
71.31892	1.2
75.58935	1.1
80.94864	1.1
89.99892	1.0
95.08599	1.5
104.99278	2.8
122.16197	1.0
164.92053	1.4
189.02792	1.1
321.15948	1.1
331.26199	2.4
405.22424	100.0
406.22726	10.0
406.35217	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2248
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
66.77594	1.0
70.13834	2.3
81.05145	1.1
99.15955	0.9
104.99279	2.5
136.27472	1.0
157.76115	1.0
161.82918	0.9
214.55807	1.0
229.53938	1.0
241.13644	1.0
262.98218	1.1
405.22409	100.0
406.22546	8.3
413.88019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.4
55.05505	13.0
56.29774	1.0
57.03428	5.7
57.07059	3.1
67.05503	5.7
69.07057	10.9
69.74229	2.7
71.08605	3.0
74.36549	1.0
79.05473	6.1
79.61174	1.2
81.07043	6.0
81.36513	1.0
83.08611	10.6
93.01949	1.2
93.07035	5.1
95.08601	5.8
97.06524	1.6
97.10158	8.0
105.06996	1.3
107.08591	3.5
109.10161	2.4
111.11730	1.2
113.00000	100.0
119.08498	1.1
121.10129	4.0
123.11682	1.6
135.11676	4.3
142.15019	1.1
149.13277	1.1
169.02588	90.5
198.51607	1.1
219.21129	2.8
226.04753	1.0
237.22093	6.0
323.19522	15.9
324.19946	1.6
341.73969	1.1
375.09802	1.8
405.35962	1.8
412.50189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.7
56.05019	5.0
57.07052	3.4
67.05499	9.0
69.07055	3.8
69.24634	7.7
70.06585	10.2
71.08600	1.7
72.08141	2.3
72.37167	1.2
77.49918	1.3
79.05472	9.3
81.07043	10.4
83.06091	34.3
83.08583	2.1
84.04491	100.0
85.02901	1.6
85.04788	1.6
85.06536	1.6
86.09684	3.2
91.05459	17.7
93.07033	9.8
95.04964	1.7
95.08604	7.4
101.07121	14.6
102.05531	5.3
105.07011	19.1
107.08562	6.4
109.10120	3.0
117.07007	4.3
119.08569	20.3
121.10123	5.2
123.11658	1.6
129.06573	55.3
130.04982	97.7
131.08539	5.8
132.10194	3.8
133.10095	14.2
135.11653	3.8
143.08565	2.7
145.10078	5.4
146.11746	2.9
147.07619	50.1
147.11658	12.5
149.13202	3.0
157.10149	2.9
159.11691	6.2
161.13242	17.5
163.14825	1.6
171.11617	2.9
173.13165	2.0
175.14784	8.5
185.13205	3.7
187.14670	1.6
189.12856	1.4
199.14766	2.1
212.23611	1.8
217.19429	1.9
231.17076	1.2
231.21036	4.4
235.55296	1.5
241.07135	1.6
241.19464	13.0
250.84830	1.5
259.20517	28.6
260.20831	2.6
276.22983	1.6
287.69690	1.5
300.28943	19.9
325.21423	1.6
342.24188	2.2
344.31516	6.8
360.25229	1.7
387.26263	2.4
388.24600	10.5
405.27255	8.0
406.35214	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	6.1
84.08185	1.1
84.96001	1.6
98.97568	10.3
101.00867	0.7
103.02451	0.7
110.97553	7.6
113.00856	3.3
113.04498	0.8
116.98611	4.8
119.01861	0.8
127.02386	2.4
128.98586	9.5
129.03932	1.0
131.00185	0.9
131.01877	10.2
131.05522	16.0
131.43956	0.7
133.03499	1.1
134.99651	1.9
136.06166	25.1
143.01880	1.1
145.03448	14.6
146.99622	3.9
147.03209	1.3
147.05034	1.2
149.06583	13.3
150.06734	1.0
155.01884	1.1
157.03447	2.4
158.03154	1.3
158.99643	1.8
161.01190	0.7
161.02985	1.5
163.04544	1.5
170.99605	1.7
173.01172	0.8
173.06554	1.1
175.04491	17.0
176.04150	24.2
177.00607	1.9
177.04189	0.9
179.05490	0.9
183.04921	0.7
185.06506	1.2
187.08031	1.1
189.00648	1.5
192.01862	4.9
193.05540	3.4
194.05212	64.5
195.05312	4.2
195.40440	0.8
197.06557	16.7
197.08328	1.3
198.06650	0.7
203.03981	0.6
204.03665	1.4
210.02904	4.4
211.04469	3.3
212.06288	11.0
213.06119	2.3
215.07608	4.5
215.20993	0.7
217.04269	0.8
218.05199	16.6
219.01790	2.1
219.05345	1.4
222.04704	1.3
223.04515	6.1
229.05569	1.5
230.05203	24.8
231.00201	0.8
231.05313	2.4
232.06783	1.8
236.06232	2.0
237.02759	3.1
241.05524	12.5
242.05338	1.0
244.06915	1.7
246.02939	2.8
246.05038	1.1
246.08344	2.8
248.06291	8.8
248.09923	13.6
249.06505	0.7
249.10016	1.0
259.06598	1.0
260.06238	0.8
264.09451	1.3
266.10962	12.4
267.11133	1.1
274.07797	11.4
275.07965	1.4
280.01239	1.0
291.07355	1.7
292.08884	10.2
308.08331	5.0
309.08521	3.2
310.10043	1.7
311.02722	1.4
324.06076	2.3
326.09296	6.5
326.94055	0.9
342.07281	2.5
388.10892	4.9
406.12000	100.0
406.96896	0.8
407.05283	1.5
407.12033	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	406.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03368	1.5
50.15098	1.7
53.03934	5.6
53.62108	1.6
53.89463	1.7
55.01856	7.8
57.03429	7.6
58.92138	1.7
59.02361	1.8
61.02908	6.5
62.82605	1.9
68.99778	5.5
69.03427	29.1
70.65737	3.8
71.04977	4.7
73.02905	9.9
81.03410	34.1
85.02897	92.3
85.99979	1.7
87.00822	34.2
97.02871	29.2
99.04433	13.9
103.03928	4.3
105.01857	26.2
108.04449	3.5
109.02869	100.0
110.03228	1.8
115.03940	4.6
117.01847	3.1
123.22516	1.7
127.03905	61.1
127.04848	3.5
129.01820	6.7
129.94914	1.8
133.02859	6.7
137.05962	1.9
141.05457	34.4
141.06491	3.9
145.04942	33.7
147.02835	3.9
147.04439	4.2
159.02899	18.2
159.04102	3.4
161.84460	1.8
165.05467	15.1
167.07053	5.0
171.02928	2.6
173.11548	1.9
177.05481	5.6
183.06499	2.2
189.03960	9.4
203.07079	2.9
207.06499	16.9
213.03928	2.3
217.56030	2.1
225.04338	1.9
227.09073	3.2
231.04654	10.9
231.06787	5.0
248.07556	2.5
249.07599	16.1
269.03354	4.8
278.11551	2.2
287.04266	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	406.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.2
57.29892	0.2
65.03937	0.3
67.05483	1.1
69.03418	1.0
70.06589	0.4
77.12720	0.2
79.05476	0.7
81.03397	0.5
81.07037	0.6
85.02902	1.6
91.05460	0.4
93.07008	0.3
95.04955	0.5
95.08579	0.3
97.02887	0.7
98.22606	0.3
105.07045	0.5
106.06542	0.8
107.07328	0.3
107.08559	0.4
109.02842	0.4
110.75951	0.2
115.05451	0.5
117.06934	0.2
119.08595	0.2
121.06403	0.2
121.10142	0.2
122.05998	0.2
123.04424	1.1
128.06210	0.5
129.06961	0.7
134.05997	0.3
135.04411	0.3
136.07562	0.9
137.05969	0.5
141.06998	0.2
143.08530	0.8
145.08855	0.3
145.10040	0.4
147.04424	0.3
153.06978	1.8
155.07266	0.7
155.08530	2.2
157.06525	0.4
160.11189	0.5
161.05977	1.0
167.07036	0.3
168.05682	0.4
170.09613	1.6
171.08032	0.7
172.07658	0.2
173.05972	0.4
176.07069	1.3
178.04965	0.2
180.08008	0.9
181.06448	0.8
183.06700	1.3
183.08105	0.6
186.06856	0.2
187.07550	0.3
188.07069	0.2
188.10689	0.7
198.09117	3.7
199.07558	1.3
199.09326	0.3
200.07048	0.3
201.07706	1.6
201.09450	0.3
202.08557	0.3
211.06268	0.5
212.07025	0.3
214.05005	1.3
215.05745	0.3
216.10201	2.1
226.08572	2.1
227.06847	0.3
227.58051	0.2
228.06465	0.3
229.07288	1.2
230.11719	0.8
244.09648	100.0
245.09978	5.7
406.14816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
55.05513	1.7
56.05028	7.4
57.03426	4.7
57.98787	0.9
58.99577	10.3
61.01146	0.9
65.49284	0.7
68.05025	1.3
69.07051	1.2
70.23820	2.0
72.08189	0.9
73.01122	1.5
73.88233	0.7
74.00639	1.4
76.02217	20.3
76.03992	1.8
77.66519	0.6
78.72145	0.6
79.05473	4.7
81.07048	16.3
82.06549	0.7
83.06076	1.1
84.04490	22.8
84.08159	0.8
85.01106	2.3
86.00632	4.5
86.99034	6.9
87.02684	6.3
88.02188	1.6
93.07023	1.2
95.08575	3.9
97.01093	1.6
97.06528	1.9
98.09673	10.0
99.08092	4.4
101.00654	0.8
102.05524	4.4
105.07005	3.0
110.09673	3.0
112.03943	3.3
113.04208	4.8
114.03802	0.7
115.05805	0.8
116.01667	19.0
122.09625	1.5
123.08065	1.1
128.23016	0.7
129.06578	2.8
129.07396	0.9
130.04991	7.5
130.06863	4.4
130.08600	1.8
131.08542	1.9
139.05728	1.7
142.03204	2.1
143.02589	1.0
144.01109	8.4
145.05988	1.0
156.08409	19.4
156.10172	11.5
157.06795	8.2
162.02165	23.4
174.09459	15.9
175.10078	0.7
175.77272	0.7
179.04831	9.6
188.03700	1.0
189.03197	1.3
191.10770	0.8
203.18358	0.9
209.11720	1.9
210.11244	1.8
215.04913	0.9
216.06879	5.9
233.05856	2.1
242.08437	1.7
259.11084	100.0
260.09055	1.2
260.11612	3.4
277.12170	0.9
285.12546	1.1
313.12158	3.5
331.13107	5.9
406.16318	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	406.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49688	2.0
57.03433	2.2
59.83206	1.9
61.02929	2.5
62.68305	1.9
63.45734	2.0
69.03415	5.0
71.35410	3.5
73.02902	3.8
79.28068	1.9
81.03405	6.4
84.24287	1.9
85.02892	19.1
91.05482	5.9
91.64283	1.9
93.07040	3.5
95.04989	3.1
97.02878	8.2
103.05455	5.6
107.04940	4.6
109.02885	6.8
117.03394	2.0
119.04975	2.2
121.06525	9.0
123.04388	5.2
127.03887	6.6
131.04897	4.6
135.04381	2.5
137.05968	8.7
139.03868	2.1
140.04684	3.2
145.04948	7.4
147.04306	2.8
149.05986	15.1
150.51157	2.4
151.03879	2.6
159.04378	3.6
165.05403	2.2
167.07016	100.0
168.07401	2.5
177.05470	37.0
178.05815	2.8
180.08658	3.0
209.08064	29.8
227.09106	75.8
228.09526	2.9
245.04428	2.3
264.15134	2.1
406.10864	2.7
406.16257	10.0
407.13702	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07064	6.9
72.45294	2.0
97.02912	4.9
133.02834	52.3
137.05960	9.0
149.05980	8.1
160.56558	2.2
165.05429	16.4
177.05470	3.6
178.02673	3.6
183.06526	7.6
190.02592	4.4
193.04930	100.0
194.05264	4.1
205.03087	3.1
205.04932	31.7
225.05446	1.5
225.07549	44.1
227.06886	2.7
229.08595	3.3
243.06375	2.2
245.08044	6.5
257.08014	3.0
261.07468	2.4
273.11234	7.9
289.07111	9.0
343.15347	23.9
353.99838	2.1
384.25516	2.6
407.24161	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40260	3.7
61.02932	4.9
67.05489	15.3
67.82825	3.2
69.03417	6.0
69.79155	4.0
69.79482	10.4
71.04990	11.3
79.05489	15.0
83.05000	4.4
85.02898	15.8
85.06538	75.7
91.05470	8.1
93.07043	8.8
95.04970	5.2
97.02908	4.9
101.66310	3.6
105.07005	7.8
107.04906	4.5
107.08589	15.2
111.04435	11.4
117.07034	4.2
119.08591	10.1
121.06504	12.4
121.10160	12.4
125.05939	4.4
127.03903	5.0
127.67582	3.7
129.06972	6.3
129.10269	3.9
131.08559	36.2
135.11678	5.5
137.09636	5.2
138.55850	3.4
145.10126	17.3
149.09596	44.8
153.05484	4.8
158.45038	3.5
163.11180	12.7
165.09132	9.1
167.10660	20.5
173.09708	6.4
191.10663	50.8
192.26970	3.5
207.06509	4.6
209.11713	63.8
222.63181	3.5
227.12749	100.0
243.77614	3.7
332.29993	3.9
406.18027	3.7
432.15622	3.7
433.73990	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	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30176	3.9
55.01866	4.5
57.03444	7.0
57.07047	3.4
61.02888	3.9
65.03930	4.1
67.05498	12.3
69.03419	5.5
69.07061	6.7
69.53795	11.8
71.04987	15.0
76.02213	4.1
79.05502	19.4
81.07050	8.1
84.04488	8.0
85.02893	19.8
85.06541	80.0
91.05478	12.6
93.07032	14.5
95.04975	7.6
97.02936	4.7
98.23531	3.9
99.04451	6.5
105.07028	12.9
107.04932	8.2
107.08597	13.9
111.04424	13.4
111.09138	5.3
116.01659	6.1
119.08582	10.4
120.08111	4.8
121.06482	10.3
121.10123	17.2
123.04410	4.3
131.08549	64.0
131.83244	3.7
137.05960	4.8
137.09557	5.9
142.08658	5.2
145.10107	22.9
147.04459	5.3
147.07954	4.3
149.09595	50.8
156.10139	4.4
162.02226	8.0
163.11145	21.5
165.09052	9.6
167.10704	23.6
173.09660	4.8
191.10648	56.8
195.96497	3.9
207.06778	5.2
208.06798	5.6
209.11702	90.0
210.99507	3.9
227.12753	100.0
228.08910	3.8
228.13094	5.2
245.04427	5.9
259.11078	16.2
283.08490	4.3
326.78250	3.7
332.87643	4.8
406.16827	16.4
424.69016	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	2.0
53.03936	2.1
55.01860	3.0
55.05508	4.0
66.62175	1.9
67.05495	8.2
69.03423	5.8
70.14240	4.7
70.14607	1.8
71.04981	6.3
79.05476	11.7
79.66980	1.7
80.75097	2.1
81.03439	1.9
81.07048	6.7
82.34682	2.0
83.04967	2.4
85.02888	13.0
90.50419	2.0
91.05476	9.4
91.05982	1.8
93.07027	27.0
95.04952	3.9
97.02901	5.2
97.06516	5.6
99.04438	19.9
101.06002	2.9
105.07026	24.0
107.04960	2.4
107.08581	48.2
109.06518	4.7
111.08063	4.7
119.08582	9.8
121.06482	13.3
121.09277	2.4
121.10130	41.6
123.08064	3.3
127.03890	3.7
131.08559	5.6
135.08026	2.8
135.11668	10.9
137.05946	2.6
145.10127	29.3
147.11667	2.7
149.05978	2.7
149.09608	7.4
163.11151	78.2
164.11461	3.8
173.09602	11.2
180.08649	2.0
181.04913	3.4
181.12196	25.2
191.10638	100.0
192.10988	2.5
202.26816	2.0
209.11681	36.6
227.12738	60.0
228.13004	2.4
348.81345	2.0
406.14838	2.0
407.16443	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	12.3
55.26632	11.8
57.01069	11.4
67.05483	12.8
69.03410	13.4
69.16930	67.6
71.05000	19.4
79.05476	22.6
83.04981	18.1
84.08136	18.1
85.02901	47.0
85.06553	63.1
91.05477	25.9
93.07056	18.0
95.04953	72.6
95.78396	11.3
97.02879	13.6
99.04452	16.2
105.07047	17.2
107.08550	25.9
109.06532	15.2
111.04449	13.2
121.06573	11.2
121.10165	19.8
127.03820	14.7
131.08578	52.6
133.10139	24.3
145.10104	28.6
149.09590	41.9
153.09076	22.0
163.11224	16.5
167.10652	32.9
167.14386	13.6
173.13319	20.1
176.77046	11.9
177.94878	13.5
180.44260	10.9
191.10686	39.2
191.14311	19.4
209.11740	69.2
209.15309	74.4
211.04198	11.8
215.40100	14.1
227.12744	100.0
227.16470	20.6
244.09610	14.9
245.08266	13.7
259.11169	13.0
407.13556	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74208	7.0
52.99764	6.6
55.05500	21.5
67.05500	7.3
69.03405	14.3
69.07033	7.8
70.76100	11.8
81.03405	14.1
81.07049	8.7
83.04964	18.6
83.08595	10.8
84.08128	20.6
85.02892	29.0
86.09707	14.1
91.05442	13.0
93.07049	14.7
95.04951	61.0
95.08588	9.7
97.02809	7.9
99.04421	22.3
103.05429	8.2
105.07006	24.5
106.06557	11.9
107.08560	14.8
109.02896	10.0
109.06517	12.6
109.10150	15.8
111.04381	9.4
111.08035	7.5
113.05954	6.7
117.06982	7.8
119.08586	20.7
121.10133	14.1
129.06978	10.0
129.10249	12.3
131.08554	19.8
133.10123	19.2
134.06000	20.0
135.08087	9.2
135.29193	7.0
137.05974	15.0
147.11658	81.7
148.65582	7.3
151.11169	19.3
153.09088	23.3
157.06438	10.9
160.03963	7.3
163.07478	11.1
167.07050	20.7
167.14256	19.5
173.13254	22.7
175.14709	9.3
184.77412	7.6
185.05951	25.0
191.14265	28.5
209.11873	7.4
209.15363	100.0
226.18082	12.8
227.12662	9.5
227.95230	7.1
245.08072	28.2
272.97055	7.2
347.13629	21.9
389.12848	14.6
406.18292	11.0
406.24014	8.8
407.15118	7.3
408.29791	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44405	14.6
59.24662	16.5
67.05506	20.4
69.19902	67.6
69.20313	42.0
71.69781	15.6
72.91199	20.4
81.07038	29.6
83.04967	16.6
83.08625	18.3
84.74951	15.2
85.02901	34.6
93.07030	30.3
98.22755	32.4
105.07000	26.9
107.08601	68.2
109.06493	38.1
109.10161	21.2
119.08614	19.8
121.10174	28.3
133.10114	100.0
137.09630	15.3
147.11595	22.0
151.91170	15.0
158.21263	15.7
164.01875	16.9
166.68921	13.8
173.13232	33.4
175.14777	34.4
191.14252	57.0
209.15320	74.7
344.53555	17.6
354.10193	21.0
392.12509	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43101	3.1
67.05502	3.6
69.03421	6.2
71.43098	4.3
79.05454	4.1
81.07018	4.1
83.04963	5.7
85.02895	16.3
86.09683	3.7
91.05473	8.1
93.07063	9.0
95.04950	3.4
95.08064	3.3
95.08571	15.7
97.06529	8.6
105.07025	11.4
107.04937	3.8
107.08602	12.4
109.10141	5.6
115.05426	3.4
121.06586	4.5
121.10132	12.3
123.04406	5.1
131.04926	4.1
131.08574	6.3
133.10110	100.0
135.08078	4.3
137.05962	7.9
145.10083	6.1
147.11711	8.3
149.09660	4.9
151.03932	4.2
151.07542	7.6
151.11166	18.7
152.07846	3.6
158.10840	3.5
161.05930	4.7
163.07452	4.6
163.14804	7.9
167.07054	11.2
173.13243	30.4
181.04878	4.8
191.14285	49.3
195.06549	3.5
202.82886	3.4
209.15359	24.7
244.09689	6.9
406.18228	5.2
407.08136	4.5
407.13248	7.0
432.96954	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
55.05513	4.7
56.42976	3.1
57.03418	4.1
69.03410	5.8
69.07068	6.5
70.06598	5.9
70.41965	6.4
71.04981	7.0
79.05484	9.6
81.03430	3.4
81.07056	11.2
85.02891	12.3
85.06538	4.0
91.05479	8.0
93.07032	11.8
95.04951	6.3
95.08605	9.7
97.06532	4.7
105.07025	10.3
107.08598	17.1
109.06534	3.8
109.10118	15.4
111.08070	3.0
113.38384	2.8
119.04869	3.2
119.08603	8.6
120.08133	3.6
121.10131	71.4
121.10979	4.4
123.11698	5.3
125.09624	3.3
127.03944	3.7
131.08569	9.9
133.10155	17.5
133.32771	3.2
135.08055	7.6
135.11674	6.0
137.09602	6.4
139.11177	4.2
145.10129	4.4
147.11703	12.0
149.13263	6.4
151.11142	15.8
163.14833	8.2
165.08873	3.1
165.17310	3.0
169.12271	7.2
173.13165	18.7
191.14272	50.3
192.14661	3.2
209.15358	22.3
212.97050	3.6
227.16399	100.0
228.16808	4.1
236.05861	3.6
244.15500	3.9
245.08203	3.9
388.67383	3.2
406.18280	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	406.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
57.07050	0.5
58.06586	1.0
65.03919	1.1
67.04236	5.9
67.05495	4.9
69.03418	4.2
69.07055	1.5
69.94907	1.3
70.06577	0.8
71.04963	0.6
71.08632	0.5
72.08157	0.5
79.05486	4.0
80.05006	1.1
81.07043	4.3
82.06565	100.0
83.06896	1.2
83.07327	0.7
83.08633	0.4
88.03980	8.1
88.07593	0.9
91.05465	2.7
93.07036	3.8
95.04963	1.5
95.08588	3.4
97.06504	0.5
99.08086	0.4
100.07602	20.7
101.07949	0.5
102.09172	1.0
105.03353	2.2
105.07016	1.2
107.08574	1.8
109.10123	0.8
109.44617	0.4
111.08081	0.4
111.69350	0.4
118.08650	0.8
119.08534	0.7
121.10149	2.1
126.05483	0.6
128.07053	43.9
129.07390	0.8
131.08542	0.9
133.10109	0.5
133.74806	0.4
135.11679	0.4
144.06586	0.6
145.10088	0.5
146.08095	20.9
147.11713	0.4
149.05945	3.0
163.95764	0.3
192.09352	0.4
221.00441	0.4
284.29520	1.9
378.30060	0.5
406.29370	54.4
407.24902	0.4
407.29669	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	407.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	19.4
56.96825	1.3
66.11568	0.8
69.03396	2.3
81.03394	1.0
84.08120	2.0
84.96016	4.5
85.02860	2.0
87.04431	1.0
97.02839	2.4
98.97570	94.4
110.97557	12.9
112.99107	2.6
115.03919	18.5
116.98605	36.5
119.01932	1.4
124.99008	1.0
126.96989	1.1
127.00637	1.5
128.97742	1.2
128.98589	14.7
129.02206	1.6
131.00114	3.7
131.01865	1.2
133.04918	1.3
134.99631	9.8
136.06126	2.5
140.98549	2.2
143.00168	4.3
144.98016	1.0
145.01628	2.3
146.99673	4.6
147.03249	7.4
149.01143	2.0
152.98553	3.4
153.00542	1.0
153.22691	0.8
158.99631	32.2
161.01184	5.2
161.02846	0.9
162.99109	1.4
163.02693	3.2
165.04311	5.7
170.99654	5.8
171.03227	3.1
173.01169	3.1
173.06458	0.9
177.00690	31.8
177.04147	1.1
186.04314	1.2
189.00674	5.1
189.04314	9.4
191.02223	3.1
194.05127	2.3
195.01706	2.2
195.05228	1.6
201.00667	2.4
203.05757	1.3
207.05313	2.3
215.02141	0.9
218.99612	1.2
219.01730	23.1
219.04999	1.1
225.04361	1.3
228.05281	1.1
230.05150	1.2
231.05316	3.0
232.96295	1.2
237.02773	43.9
238.03014	1.3
243.05313	2.0
255.03778	2.6
257.03421	0.8
259.08020	1.3
277.08804	0.8
283.03326	1.4
291.07428	22.0
292.07657	1.0
309.08517	49.8
310.08655	2.6
311.02597	1.7
327.02151	1.4
329.03867	1.7
347.10370	0.8
366.07114	0.9
407.11966	100.0
408.12280	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	407.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	19.4
56.96825	1.3
66.11568	0.8
69.03396	2.3
81.03394	1.0
84.08120	2.0
84.96016	4.5
85.02860	2.0
87.04431	1.0
97.02839	2.4
98.97570	94.4
110.97557	12.9
112.99107	2.6
115.03919	18.5
116.98605	36.5
119.01932	1.4
124.99008	1.0
126.96989	1.1
127.00637	1.5
128.97742	1.2
128.98589	14.7
129.02206	1.6
131.00114	3.7
131.01865	1.2
133.04918	1.3
134.99631	9.8
136.06126	2.5
140.98549	2.2
143.00168	4.3
144.98016	1.0
145.01628	2.3
146.99673	4.6
147.03249	7.4
149.01143	2.0
152.98553	3.4
153.00542	1.0
153.22691	0.8
158.99631	32.2
161.01184	5.2
161.02846	0.9
162.99109	1.4
163.02693	3.2
165.04311	5.7
170.99654	5.8
171.03227	3.1
173.01169	3.1
173.06458	0.9
177.00690	31.8
177.04147	1.1
186.04314	1.2
189.00674	5.1
189.04314	9.4
191.02223	3.1
194.05127	2.3
195.01706	2.2
195.05228	1.6
201.00667	2.4
203.05757	1.3
207.05313	2.3
215.02141	0.9
218.99612	1.2
219.01730	23.1
219.04999	1.1
225.04361	1.3
228.05281	1.1
230.05150	1.2
231.05316	3.0
232.96295	1.2
237.02773	43.9
238.03014	1.3
243.05313	2.0
255.03778	2.6
257.03421	0.8
259.08020	1.3
277.08804	0.8
283.03326	1.4
291.07428	22.0
292.07657	1.0
309.08517	49.8
310.08655	2.6
311.02597	1.7
327.02151	1.4
329.03867	1.7
347.10370	0.8
366.07114	0.9
407.11966	100.0
408.12280	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	407.131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08082	0.7
55.63412	0.7
62.58247	0.7
63.24020	0.6
67.05492	1.5
69.07059	0.8
78.16264	0.7
79.05470	1.0
81.07026	1.8
91.68015	0.6
95.08599	1.1
105.06956	1.4
107.08574	1.4
109.10157	1.0
115.03913	0.7
119.08559	0.9
121.10098	0.7
131.08492	0.7
132.04439	1.8
133.10155	0.9
133.65675	0.7
145.10112	0.9
164.07062	1.3
171.00487	3.3
181.64972	0.7
182.08122	2.1
183.08456	1.3
185.04224	3.7
245.07820	100.0
246.08163	3.2
309.47034	0.7
407.13034	32.3
408.13574	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.8
67.43094	1.7
69.07052	3.3
70.06317	4.1
75.93282	1.8
79.05470	3.1
81.07040	4.3
84.08121	1.9
86.09690	1.8
91.05482	2.2
93.07005	2.1
95.04949	1.9
95.08599	4.4
97.06467	1.7
105.06984	3.1
107.08573	3.4
109.10144	3.4
115.03938	2.3
119.08572	1.7
121.10147	2.1
127.07523	1.6
131.08525	1.7
133.10139	2.2
145.10136	2.8
157.10095	1.5
159.03160	1.4
171.00507	4.0
185.04224	4.8
212.92499	1.7
245.07819	100.0
246.08153	3.0
407.13007	34.1
407.20535	3.1
408.13635	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1333
Annotation	Oxyresveratrol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01864	1.6
56.08035	0.3
56.94398	0.3
60.75317	0.3
63.30460	0.3
68.99785	0.4
70.16351	0.7
73.15958	0.3
73.68640	0.3
87.02327	0.3
105.03387	0.4
123.04360	0.4
124.39590	0.3
128.06190	1.2
129.06996	0.4
130.35185	0.3
131.04958	0.4
143.08539	1.7
145.06462	0.4
146.49286	0.3
147.00529	0.4
147.04391	0.7
153.06934	1.0
157.06487	0.6
161.06003	0.5
163.03853	0.9
171.08031	3.0
173.05949	0.6
174.06702	0.4
175.03891	0.8
177.05452	0.3
181.06445	0.9
184.05173	1.1
188.04607	0.5
189.09024	0.8
191.06900	0.4
199.07492	2.3
203.03305	1.6
205.04819	0.4
215.03348	2.0
216.04146	2.6
217.08563	1.3
226.20204	0.4
227.06952	2.0
229.04903	0.8
230.05724	6.2
245.08054	100.0
246.08426	4.7
286.28534	0.4
321.59427	0.4
407.20493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72807	2.7
50.80455	2.5
55.01861	8.1
56.72866	2.2
65.03936	8.7
79.05483	16.6
81.03432	3.4
81.07021	3.4
84.04504	5.7
85.02875	4.1
86.09698	9.3
91.05470	24.6
93.07011	4.2
93.90607	2.7
95.04967	11.1
97.06528	3.7
103.05461	25.7
105.03413	5.2
105.07012	27.4
107.04949	46.7
107.08646	2.4
108.05791	3.1
109.06537	7.7
111.04472	3.4
115.03924	3.1
115.05409	6.9
118.04186	8.1
119.04943	7.8
119.08566	2.8
120.05735	5.1
120.08088	25.7
121.06473	8.3
121.10141	3.2
122.03633	3.9
122.07287	3.5
122.10471	4.5
123.04414	6.1
123.07991	3.6
124.05235	5.5
125.06023	4.6
131.04929	4.8
132.05763	3.7
133.02881	12.9
133.06474	31.6
135.04404	8.0
135.08075	14.1
137.05965	36.1
140.04697	3.3
145.07576	3.4
145.75206	3.1
147.04405	5.3
148.05182	3.8
149.05916	12.6
150.06694	12.9
151.03876	12.3
151.07600	13.8
153.05443	13.6
154.06342	3.6
155.07045	7.3
161.05957	15.6
161.09563	3.8
163.03905	6.0
163.07516	61.0
165.05472	27.2
165.09128	15.8
166.06186	6.0
167.07045	18.6
171.06517	5.9
175.07501	4.1
177.05481	8.3
178.06177	4.1
179.07005	8.0
180.07813	10.0
181.04929	61.9
181.08565	28.8
182.05365	3.1
189.05516	5.1
189.09106	15.5
191.06981	2.9
193.04987	10.4
193.08578	68.0
194.08972	4.7
195.06645	3.9
196.07266	3.4
197.08061	5.7
203.06973	3.6
205.08623	3.8
207.06512	10.0
207.10196	9.1
208.07310	33.2
209.08127	3.9
211.09633	100.0
212.09984	5.3
215.13861	2.5
225.07533	29.9
226.08340	18.8
228.16803	4.7
264.18631	2.7
359.14798	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	407.1698
Annotation	Icariol A1
Peak:m/z	Relative Intensity
53.03963	1.6
54.53089	1.4
55.01862	9.1
56.41399	1.3
65.03928	7.4
65.46275	1.4
65.74779	1.3
67.05488	2.7
68.76902	1.4
70.27841	2.5
70.28175	2.5
71.01328	2.6
73.79174	1.3
79.05478	14.2
81.07038	4.1
82.04197	2.3
83.04987	1.8
85.02897	5.6
88.12761	1.3
91.05471	22.2
93.03400	3.6
93.07043	3.3
95.04950	14.5
95.08633	2.4
97.06509	1.8
100.67179	1.4
103.05452	23.2
105.03378	6.9
105.04517	3.7
105.07030	13.4
107.04942	70.5
107.08602	3.1
108.05221	1.4
109.06520	9.6
109.10181	1.6
110.03662	4.2
111.04420	4.3
115.05447	8.2
117.07050	2.0
119.04935	5.5
119.08559	2.9
120.05695	3.3
121.02854	1.7
121.06500	11.2
121.10138	2.0
122.03643	3.9
123.04430	10.7
125.05945	7.7
131.04904	7.1
131.08569	2.0
132.05659	1.8
133.02844	13.3
133.06488	9.7
135.04402	3.9
135.08041	16.4
135.11751	1.6
136.05206	1.4
137.05959	37.2
138.03061	1.6
138.06721	2.7
139.03877	3.3
140.04678	5.4
145.06454	1.8
145.07529	1.8
146.07239	2.3
147.04337	7.5
148.05142	3.5
149.05974	10.5
150.87445	1.4
151.03902	3.0
151.07481	8.7
153.05441	22.0
154.06247	4.8
155.07031	12.5
159.11684	1.7
161.05962	22.5
161.09647	5.3
162.06717	1.4
163.07518	78.6
164.07907	2.7
165.05469	36.6
166.06152	4.9
167.07014	8.5
171.06514	7.1
173.13156	1.7
175.07549	3.1
177.05492	9.0
179.07053	6.3
180.07806	19.4
181.04941	100.0
181.08534	37.9
182.05299	3.6
182.09355	5.0
183.06546	4.4
187.14915	1.6
188.45450	1.3
189.05457	2.3
189.09067	16.3
191.06935	2.9
193.04936	21.7
196.07329	2.4
197.08075	6.2
207.06526	17.2
207.10124	9.4
208.07277	48.5
209.07970	6.9
211.05957	1.6
225.07564	40.5
226.08295	34.8
313.10687	3.3
341.13525	1.9
357.13281	1.5
358.66138	1.4
359.14716	4.0
371.14896	2.1
389.15619	5.3
407.16617	3.2
407.33109	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	407.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01858	1.7
57.03417	1.0
65.03915	0.7
65.97417	0.6
66.25288	0.5
67.05498	1.2
71.42431	0.5
75.04472	0.8
77.03921	0.6
79.05483	8.4
81.06993	0.6
85.02897	0.7
91.05467	6.7
93.03422	0.7
93.07012	1.6
94.04170	0.6
95.04963	3.1
95.08617	0.6
97.06522	0.9
103.05445	5.9
104.06258	0.9
105.04482	0.7
105.07021	24.5
106.04115	0.6
106.07345	0.7
107.04947	5.6
108.05736	1.3
109.06485	1.5
115.05456	1.4
117.06980	1.0
118.04145	9.4
119.04975	3.5
120.05701	1.9
120.08050	1.4
121.06514	3.0
122.07237	1.9
123.04404	1.1
123.08041	2.2
124.05168	2.2
125.05977	2.0
131.04907	1.3
132.05667	1.4
133.06476	24.2
133.07500	1.2
134.07224	1.3
135.04391	4.8
135.08072	4.9
137.05952	8.1
137.09589	0.6
146.03557	1.6
147.04390	2.5
148.05141	1.3
149.05980	5.2
150.06743	15.6
151.03902	13.5
151.05013	1.6
151.07527	4.7
153.05466	1.7
161.05945	3.2
163.03873	0.7
163.07498	1.8
165.09099	15.0
166.09468	0.6
167.07013	12.7
168.07774	2.5
176.47768	0.5
177.05498	1.5
178.06230	4.3
179.07062	2.9
181.08557	0.7
190.78328	0.7
193.08577	67.7
194.08897	1.8
194.56041	0.6
196.07207	0.8
196.60130	0.6
201.78621	0.6
205.08582	1.8
211.09622	100.0
212.10077	4.6
314.73837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94843	1.8
55.01862	6.1
55.05501	3.5
57.03447	2.2
65.03934	5.9
67.05495	2.8
69.03402	3.8
70.66415	3.5
71.01316	2.7
71.04976	2.3
71.29505	2.0
79.05488	18.9
81.03423	3.4
81.07047	4.1
83.04958	4.2
84.04501	4.5
84.08134	2.7
85.02892	6.0
86.09709	17.2
91.05469	21.1
91.74844	2.5
93.07040	3.0
95.04974	11.9
95.08582	2.5
95.79983	2.3
97.06567	2.0
103.05450	20.6
105.03360	5.7
105.07036	31.0
107.04945	52.1
107.08575	4.7
109.02882	3.1
109.06488	6.0
109.43716	2.5
110.03635	3.7
115.03913	2.6
115.05444	7.1
117.06953	2.6
118.04147	8.9
119.04955	8.7
119.08601	2.2
120.05727	3.7
120.08087	37.7
121.06497	8.7
121.10129	10.7
122.03601	4.0
122.07320	2.8
122.10497	7.1
123.04392	6.2
123.08051	2.5
124.05154	3.8
125.05985	5.3
127.03910	2.5
131.04936	5.5
132.10187	4.7
133.02835	8.0
133.06480	23.5
135.04431	7.4
135.08017	12.9
136.05151	2.3
136.07568	4.5
137.05959	35.9
145.06488	3.0
147.04364	6.5
148.05212	5.2
149.05931	11.5
150.06763	10.2
151.03880	13.8
151.07541	12.5
153.05400	14.0
154.06238	3.8
155.07095	5.2
157.06544	2.5
161.05939	17.3
161.09627	3.3
162.06696	2.4
162.70317	2.4
163.03857	11.7
163.07526	53.5
164.08043	2.3
165.05449	19.1
165.09059	15.4
165.10222	2.2
166.06244	5.0
167.07033	19.4
171.06517	4.6
175.07574	3.4
177.05435	7.7
178.06155	3.6
179.07019	9.0
180.07747	12.7
181.04930	56.5
181.08568	26.2
182.09203	3.1
183.06522	4.8
189.05521	5.3
189.09094	13.7
191.14243	5.2
192.14705	3.8
193.04919	11.4
193.08583	61.3
194.08885	3.9
195.06465	4.6
196.07295	2.9
197.08069	7.0
203.07086	5.2
207.06516	10.4
207.10178	6.8
208.07281	32.7
209.08110	4.6
210.15654	3.9
211.09633	100.0
212.10013	2.5
217.08609	3.5
225.07552	31.6
226.08324	19.0
227.16386	8.2
228.14560	2.2
228.16673	12.1
245.08131	2.5
276.13434	5.9
359.15192	3.3
407.12967	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	407.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60538	7.3
95.04961	2.3
98.57352	2.4
100.65748	2.0
146.86369	2.0
148.44293	2.2
157.08272	1.9
307.14883	3.0
353.68677	2.5
389.22891	53.6
390.23245	2.4
407.23984	100.0
408.24399	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	407.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52637	2.7
68.06706	3.1
70.10278	8.0
78.12797	2.8
84.69299	3.0
160.90781	3.5
168.41742	3.5
269.13629	7.0
351.18164	3.9
389.22946	36.7
407.24139	100.0
408.24152	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	407.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92418	4.3
67.05508	6.7
68.88110	4.4
69.75749	12.8
69.76084	4.5
79.05473	5.6
81.07062	7.6
93.07040	7.3
95.64419	5.0
97.38300	4.8
105.07013	7.4
115.34819	5.2
119.08535	8.5
128.11624	5.0
242.40439	5.7
333.17264	10.4
407.24002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2191
Annotation	Zoamide D
Peak:m/z	Relative Intensity
69.65231	97.8
78.54195	30.4
79.29958	23.1
81.14912	24.9
83.65852	22.1
162.44304	23.7
351.18542	37.5
373.46304	28.4
389.23041	31.0
407.22443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	10.9
62.25661	9.2
67.05479	8.3
70.14749	21.7
79.05497	8.1
81.07062	18.6
88.07623	9.7
91.05494	9.9
93.07053	9.4
95.04916	13.1
95.08616	11.4
131.08577	9.1
139.34779	7.8
190.49988	8.2
315.16306	9.5
317.13486	10.0
329.91699	8.9
407.23993	100.0
407.35635	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	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	1.2
69.41206	1.9
70.06582	4.0
71.08611	0.7
72.08133	0.8
81.07011	0.5
84.08134	0.8
86.09700	0.4
88.07632	1.6
102.09150	0.8
105.06985	0.6
114.09184	0.5
132.10194	0.5
135.84280	0.4
146.11765	1.0
157.32889	0.5
178.65193	0.4
256.26324	1.4
257.26718	1.3
295.15228	1.0
300.29083	2.5
301.29156	3.4
309.16611	1.2
344.31616	0.8
345.31955	1.1
406.35193	6.7
407.23978	100.0
407.35400	12.8
408.24304	7.8
430.82242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21631	0.4
69.76821	0.8
70.06564	0.8
88.07630	0.7
95.13448	0.5
114.09172	0.5
132.10278	0.7
271.20084	0.5
273.23962	0.5
286.37393	0.5
321.16763	4.7
333.21820	0.5
406.35330	1.8
407.23984	100.0
408.24225	7.1
428.04898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16961	1.0
67.05500	2.0
68.21594	1.0
79.05474	1.4
81.07049	1.4
91.05485	1.2
93.07037	1.5
95.04947	1.1
105.07021	2.6
119.08579	1.3
128.09273	1.0
135.11717	1.1
145.10020	1.9
157.52058	1.2
159.11613	1.1
181.10127	1.0
199.87259	1.0
203.18217	1.1
275.60742	1.1
314.06647	1.1
393.26849	1.0
407.23959	100.0
408.24237	8.4
428.65912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96526	1.2
66.25115	1.0
66.66481	0.8
69.10270	6.0
81.07063	1.1
85.10519	1.1
95.08570	0.9
98.48678	0.9
103.93864	0.9
104.99313	1.0
109.06453	0.9
201.29366	1.1
225.56340	1.0
260.20526	0.9
407.23962	100.0
408.24435	7.3
424.38599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.2
81.52217	1.1
83.08586	1.2
96.11277	1.0
116.46581	1.1
131.68013	1.1
147.11539	1.0
160.82634	1.1
162.03223	1.2
183.52861	1.0
198.73134	1.0
333.17108	1.2
407.23993	100.0
407.35428	3.0
408.24310	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	407.24
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15604	2.3
70.15933	2.0
81.07067	2.2
84.08127	2.2
88.24458	1.0
91.05471	1.8
95.08604	1.9
95.10799	1.1
105.07032	1.7
117.07040	1.5
121.92334	1.0
159.90948	1.2
251.12451	1.1
407.23984	100.0
408.24414	5.8
429.45422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01856	3.7
55.05498	4.8
57.07069	18.7
61.28873	1.2
67.05495	15.6
69.03060	2.2
69.03419	37.1
69.07063	9.2
70.06545	1.5
71.04981	1.7
71.41887	1.1
79.05478	11.0
81.07049	17.0
83.04969	2.5
83.08588	2.1
91.05464	10.7
93.07033	18.3
95.04943	5.2
95.08595	10.1
97.02248	2.4
97.02876	47.1
97.06521	1.5
105.07012	16.1
107.04939	2.9
107.08580	10.3
109.06512	6.6
109.10140	5.0
115.03903	29.6
117.06984	3.2
119.08545	9.4
121.06473	7.2
121.10125	7.0
123.08050	4.4
123.11689	2.1
125.07107	2.2
126.05506	2.1
129.06993	1.5
131.08537	13.6
133.06483	1.8
133.10095	10.4
135.08035	3.7
135.11658	3.3
137.09610	2.5
143.08549	1.7
145.10126	8.6
147.07980	1.3
147.11678	6.4
149.09619	4.4
149.13266	3.4
155.08522	1.6
157.10097	2.0
159.08017	1.5
159.11696	6.0
161.09660	1.4
161.13203	1.4
163.11159	5.2
163.14871	1.4
173.13222	3.8
175.11111	1.4
177.12634	1.7
183.11623	2.0
189.12706	2.0
191.14299	3.3
197.13239	2.5
201.12721	3.4
207.13721	3.9
209.12871	4.6
216.96370	1.1
219.13770	1.5
233.15483	1.6
239.17827	1.2
247.20551	3.5
257.19006	10.2
272.33899	1.3
275.17511	3.1
275.20029	63.9
276.20459	4.3
292.20404	1.5
293.18408	2.7
293.21124	11.5
300.28915	1.4
301.29227	2.5
302.18600	6.2
333.06058	1.5
351.18292	1.7
376.25842	62.6
377.26257	4.3
389.23175	5.8
394.27036	2.3
406.35147	3.6
407.09033	3.3
407.24152	100.0
407.35168	8.0
408.24051	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	407.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36346	0.4
55.05494	0.9
57.03427	5.7
57.07066	7.2
63.91119	0.3
67.05496	2.5
69.07044	1.1
71.08624	5.7
72.08126	0.3
74.01018	0.3
79.05478	0.6
81.07043	2.2
83.08607	1.4
83.79047	0.3
85.10165	2.2
89.06007	0.9
95.08600	3.6
97.10144	0.8
98.23502	0.7
109.10138	1.4
112.99999	100.0
123.11707	0.6
123.72517	0.3
131.00989	0.5
154.02603	0.4
169.02586	74.9
170.02919	0.6
173.58963	0.3
195.12233	0.4
227.50606	0.4
318.24689	0.3
325.20901	0.4
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
51.56231	1.2
55.05513	1.7
57.03431	3.6
57.07069	6.8
65.07023	1.2
67.05507	2.7
70.61017	2.2
71.08625	5.6
81.07058	4.7
83.08644	2.4
85.10161	3.1
87.28568	1.1
95.08596	3.4
109.10168	1.5
113.00014	89.9
169.02611	100.0
170.03056	1.4
195.12221	1.8
197.83038	1.3
219.14084	1.3
239.23759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18663	1.9
55.05495	3.9
57.03429	2.6
57.07061	13.1
69.07059	17.2
71.08612	14.4
71.21698	3.0
81.07041	3.5
83.08581	3.6
85.10164	3.1
89.06005	9.6
95.08591	4.4
98.04874	2.6
105.06976	2.7
111.11706	7.9
112.99996	38.3
119.36749	2.3
121.02856	2.9
121.10059	3.2
129.12700	4.0
133.08588	5.9
145.10071	2.2
149.02315	100.0
150.02634	2.1
167.03336	7.0
169.02570	30.7
198.10243	2.2
314.92053	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	407.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.1
56.05016	3.8
67.05492	8.4
69.07062	1.9
71.44872	0.7
79.05481	8.7
81.07047	9.6
83.06098	26.2
83.08625	1.2
84.04493	86.9
85.02883	0.9
91.05447	4.7
93.07027	11.9
95.04955	1.6
95.08585	6.3
97.10152	0.9
101.07134	10.7
102.05534	5.3
105.07034	3.2
107.08582	5.3
109.06516	0.9
109.10135	3.5
117.07029	0.9
117.46150	0.8
119.08569	2.7
121.10146	5.5
123.11681	1.7
129.05850	0.5
129.06578	36.6
130.04987	100.0
131.05304	2.3
131.08546	3.1
133.10106	2.2
134.34209	0.8
135.11691	3.8
138.36545	0.7
144.49670	0.7
145.10085	1.8
147.07620	34.4
147.11670	2.4
149.13258	2.4
159.11647	1.5
161.13222	1.2
163.14812	1.3
169.02600	0.9
170.06807	0.8
173.13281	2.7
175.14838	1.0
187.14864	0.9
221.30827	0.8
243.21104	2.3
258.29327	0.8
261.22076	7.9
284.14847	0.8
327.23300	1.6
344.25931	1.0
389.64130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	19.1
69.03406	4.3
73.57862	3.5
84.96014	10.0
86.09688	5.6
98.97569	59.8
110.97581	28.1
112.99107	4.7
115.03912	28.4
116.98617	18.3
128.98573	18.7
134.99632	5.9
146.99631	5.6
158.99535	4.2
171.75194	3.6
203.99619	13.4
218.01201	4.7
219.01746	17.2
222.00752	23.3
234.04414	4.0
236.02246	8.9
237.02690	24.1
244.61147	4.3
246.00732	14.8
250.00188	7.3
262.03760	6.1
264.01724	32.9
276.01718	7.4
282.02795	13.6
288.01675	9.8
301.73557	3.9
306.02798	22.1
348.03796	11.3
364.06735	5.8
366.04865	42.1
384.05936	7.0
408.06708	100.0
426.06970	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	0.3
69.75746	0.3
69.76074	0.5
73.00587	0.2
79.05504	1.1
81.03357	0.2
81.07001	0.2
83.08556	0.2
84.56982	0.2
86.25771	0.2
95.04913	0.8
95.08549	0.3
98.22750	0.3
105.03345	0.3
105.07004	0.3
107.08509	0.3
115.03916	0.2
123.04377	0.9
142.04111	0.3
151.03873	0.3
158.05980	1.6
169.05188	4.1
170.05910	0.9
171.06735	1.8
172.03903	17.2
173.04263	0.5
186.05481	7.9
187.05920	0.4
197.04689	14.1
198.05313	0.9
199.06245	7.3
200.03389	1.3
200.06891	0.6
214.04945	13.3
215.05313	0.5
225.04198	3.6
226.04521	0.3
229.07314	4.4
242.04437	23.0
243.04756	0.9
257.06778	100.0
258.07172	5.6
390.09653	1.0
394.35229	0.2
408.10715	28.5
409.11179	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	408.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01865	5.7
56.96540	0.7
57.03431	0.9
59.04993	1.3
59.71028	0.5
69.03420	10.2
69.31161	2.6
73.02901	1.1
81.03405	3.4
85.02910	4.0
86.09686	4.5
87.04472	4.4
91.94645	0.5
97.02881	15.2
98.97623	0.6
99.04440	0.8
109.02864	2.7
115.03916	100.0
116.04252	2.1
116.98653	0.9
119.01869	1.3
127.03880	4.9
128.98584	0.7
132.10191	2.3
133.04945	14.1
133.05927	1.2
145.04941	3.9
155.01765	0.6
161.02925	1.2
167.02829	1.5
170.99664	0.8
176.91177	0.6
183.52519	0.5
187.05978	1.1
191.03885	0.7
211.05986	1.0
219.01819	0.8
232.87697	0.6
237.02780	1.0
239.04895	1.1
241.07149	1.0
259.08115	8.0
277.09158	6.5
296.06473	1.4
318.07193	1.1
319.07492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01867	5.1
57.03423	0.8
59.04990	1.1
62.97342	0.5
69.03072	0.7
69.03425	11.4
69.11971	3.5
73.02901	0.8
74.70830	0.5
78.23879	0.5
81.03399	2.4
85.02880	5.6
87.04467	5.2
91.93529	0.5
97.02882	14.9
99.04464	0.8
109.02850	2.0
112.27690	0.5
115.03917	100.0
116.04237	1.7
127.03910	3.7
128.58501	0.5
133.04951	11.2
133.89900	0.6
145.04935	2.6
149.13824	0.5
183.21349	0.5
259.08087	5.8
277.09183	5.7
390.76810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01867	4.7
56.96561	2.7
57.03428	1.1
59.04989	1.7
61.63702	0.4
69.03419	11.3
70.64429	0.8
71.04967	0.6
73.02903	1.0
81.03413	3.5
84.08122	1.7
85.02892	5.4
86.09695	2.4
87.04453	4.7
95.04929	0.7
97.02879	16.2
98.14125	0.5
98.97573	10.2
99.04440	1.7
109.02859	4.3
110.97552	0.9
115.03915	100.0
116.04249	2.0
116.98608	3.2
118.06870	0.5
123.04447	0.9
127.03906	4.8
128.98608	1.2
129.02179	0.5
129.10255	0.8
131.00145	0.7
132.10168	1.0
133.02841	0.6
133.04955	10.9
134.99620	0.6
137.94516	0.5
139.75359	0.5
145.04939	2.6
147.03249	1.1
151.03874	1.0
156.55624	0.5
157.04962	0.8
158.99651	2.1
163.03903	0.6
170.99605	0.6
173.01239	1.3
175.03915	0.9
177.00725	1.7
177.05481	0.8
187.06075	1.0
199.06006	1.1
211.05994	2.4
217.07089	0.6
219.01758	1.7
229.07037	5.1
231.00244	1.1
237.02831	2.0
241.07091	1.6
242.46443	0.6
247.08151	0.8
249.01321	0.7
259.08099	6.4
270.06735	1.5
277.09064	5.2
283.03537	0.6
292.07791	0.6
309.08411	2.6
310.08810	1.5
311.02921	4.2
327.02316	0.7
329.03897	2.3
373.11346	2.1
408.12698	4.0
408.27414	0.8
409.06479	4.5
409.11249	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09251	0.7
55.01859	2.3
55.05504	33.1
55.05778	1.6
56.05012	1.3
57.68956	0.7
58.99577	16.8
65.37479	0.8
69.03413	1.0
69.27924	3.6
73.01121	1.5
74.47870	0.7
76.02215	8.0
76.03988	3.5
79.05453	1.7
81.07043	2.2
82.08032	0.7
83.06092	1.8
83.08608	40.8
84.04496	21.1
84.08109	1.5
85.02879	1.4
85.56827	0.8
86.99035	13.0
87.04421	0.7
88.02193	3.6
89.03928	0.9
95.08631	0.8
99.05573	1.8
101.09647	2.4
105.00117	0.9
107.08598	1.0
114.03745	0.9
115.03942	4.5
115.05759	1.1
116.01662	56.8
120.08067	0.9
129.06566	3.8
129.07391	1.9
130.05000	5.2
135.04390	1.5
142.03169	3.3
144.01123	29.3
145.06088	1.7
156.62042	0.8
159.08369	35.1
159.09686	1.7
160.08687	0.9
162.02179	100.0
163.02504	2.0
163.03899	3.8
168.93352	0.7
176.11043	3.5
186.05490	1.8
187.07924	1.3
188.76608	1.0
205.08943	1.2
244.10016	1.7
245.05742	0.9
246.07414	0.9
250.54408	0.8
261.10583	4.9
262.11044	50.3
263.11362	2.3
279.13696	15.8
315.13754	1.0
330.25851	0.8
333.14810	14.7
390.11734	1.1
408.17932	2.4
408.27780	0.9
409.15387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.05503	30.0
56.05023	1.3
56.40701	1.0
58.99575	19.5
61.01127	1.4
73.01106	1.6
76.02211	7.4
76.03989	3.8
79.05473	2.4
79.93732	1.0
81.07033	2.4
82.56254	1.2
83.06063	2.5
83.08115	1.9
83.08608	38.9
84.04498	20.2
85.01104	1.7
85.06503	1.7
86.09704	1.8
86.99042	12.4
88.02203	3.7
91.05435	1.2
98.22703	2.5
101.09660	2.7
107.08565	1.6
111.41325	1.0
115.03890	3.1
116.01662	55.3
120.08102	1.4
129.06566	3.2
130.04999	4.2
136.07536	1.8
142.03209	3.7
144.01128	25.2
145.06061	1.6
159.08368	34.2
162.02176	100.0
176.11012	3.0
186.05423	1.2
186.09296	1.2
211.09669	1.4
233.16370	1.2
241.58513	1.2
244.09950	1.5
261.10785	4.2
262.08292	2.3
262.11050	41.9
263.11331	1.3
279.13715	13.8
333.14752	8.7
398.81482	1.2
408.13116	1.4
408.17996	1.7
408.27524	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	408.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18410	0.5
56.65900	0.5
69.03426	1.3
69.07051	4.0
82.05025	0.7
85.02882	0.9
86.09694	100.0
87.10022	1.4
97.02890	2.6
102.86214	0.7
110.16035	0.6
115.03903	3.8
132.10187	72.9
133.10509	1.8
219.01344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16485	3.4
59.76801	3.6
69.03414	49.2
69.07067	21.5
79.61735	3.8
81.07048	4.1
85.02905	10.6
97.02879	76.2
97.06509	4.5
98.22620	8.4
105.06986	4.4
108.49284	4.0
108.54078	3.6
109.02901	5.8
112.44873	3.5
115.03913	100.0
115.07526	3.8
120.08146	5.1
135.04420	5.1
156.32771	3.8
229.10672	60.6
408.27579	4.3
424.38281	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	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47058	1.4
55.01871	4.0
57.20162	1.4
69.03417	9.4
70.06571	2.4
81.03439	3.6
85.02897	6.6
86.09709	4.5
87.04459	3.4
87.41911	1.4
89.66219	1.4
91.39041	1.3
97.02888	13.7
109.02898	2.4
115.03918	61.7
116.04268	2.8
117.23959	1.4
120.08100	2.8
123.04438	2.6
127.03932	5.6
133.04977	5.6
137.06006	3.6
138.77554	1.4
145.04955	3.1
151.03986	1.6
166.07271	3.1
167.07016	100.0
168.07361	3.2
180.08658	1.7
181.08667	2.5
193.08624	2.9
199.06184	1.7
211.06139	2.0
211.09598	15.9
214.12668	1.4
228.18651	1.9
229.06985	6.9
229.10579	8.6
259.08163	4.0
268.53946	1.3
277.09225	4.0
362.89914	1.6
373.11273	2.6
409.10666	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.05507	7.0
55.89804	1.6
55.99763	1.7
56.15962	1.6
57.03431	2.1
60.85481	1.7
61.02915	2.5
61.36536	1.8
66.01963	1.7
67.05506	13.9
67.34866	1.7
69.03433	6.9
69.07055	10.3
70.70755	2.4
73.39516	1.9
79.05477	9.0
80.76723	1.6
81.03418	3.3
81.07048	42.0
83.04971	4.0
83.08598	4.9
85.02907	12.0
91.05476	12.0
93.07042	7.6
95.08588	11.7
97.02885	6.7
97.06551	2.2
97.10195	1.7
99.08119	2.4
105.07005	22.0
107.08590	12.0
109.02831	1.9
109.06542	3.4
109.10121	5.0
114.86363	2.1
115.03931	5.4
119.08574	15.9
121.10131	13.3
123.08057	3.2
123.11699	22.2
127.03921	2.1
127.07545	2.5
132.04459	6.5
133.10135	3.4
137.02338	9.6
145.04942	2.8
145.10156	2.3
147.11670	65.7
148.12004	3.5
149.13228	3.7
150.05486	4.2
159.11678	1.9
161.13292	2.3
163.14737	2.2
165.12724	42.7
166.13045	2.9
172.03957	4.7
172.07591	1.9
180.08690	2.7
183.13771	15.3
184.97595	1.9
186.05461	2.0
187.14861	2.0
191.03381	9.7
193.12224	4.1
197.04709	3.5
199.06429	2.1
200.06857	1.7
203.17958	2.4
211.11417	1.7
211.13312	7.6
214.04988	4.4
229.14317	100.0
230.14682	4.1
242.04486	7.4
247.09631	5.5
254.10271	2.0
257.06796	33.8
258.07004	3.6
272.11288	6.3
321.18781	2.1
378.55109	1.9
408.10675	10.5
409.16013	2.3
409.34540	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	408.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.1
64.78242	2.4
66.91717	2.4
67.05484	5.0
69.07053	8.1
69.76292	3.1
69.76631	9.7
71.05008	3.2
79.05503	3.3
80.78393	3.0
81.07041	3.6
85.02882	9.1
86.09699	5.3
91.05482	8.4
93.07038	14.2
95.04969	6.4
105.07029	9.7
107.08578	5.2
109.06506	11.4
119.08587	7.1
119.60258	2.9
120.08083	5.9
120.42152	2.7
131.08543	4.1
132.97383	2.8
133.10112	61.9
137.05928	6.5
147.11678	18.1
151.03896	3.4
151.07520	3.8
151.11162	48.5
155.06975	14.2
175.11203	6.0
179.69508	3.1
193.12222	29.9
211.13260	100.0
212.13611	4.3
229.14279	25.0
257.04477	6.2
349.10321	6.0
409.09528	5.9
409.13480	6.8
409.18323	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36106	1.2
51.29952	1.1
52.84308	1.2
56.96549	2.4
57.50723	1.2
69.47630	5.6
80.58025	1.4
81.07017	2.0
91.05478	1.6
105.07011	1.8
105.97911	1.5
107.04942	4.9
108.05721	2.0
108.71676	1.2
109.06507	1.5
111.05482	1.4
115.03920	1.9
121.06501	1.7
131.04883	1.8
135.04352	2.2
136.05167	6.1
137.05942	3.7
145.06467	1.5
147.08034	3.9
150.06720	1.7
151.07512	100.0
152.07841	3.5
155.65981	1.3
161.09552	2.0
161.62759	1.2
163.07556	1.9
165.09096	6.9
175.07599	1.4
177.09067	6.7
186.10422	1.8
189.09085	1.9
191.10696	2.8
196.33823	1.5
202.09900	1.8
203.10698	3.9
217.12189	5.5
269.10663	2.5
340.16617	13.3
341.17093	1.9
341.84253	1.3
355.18872	10.5
367.17804	2.4
385.18738	2.4
409.18253	1.7
409.28830	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79410	3.7
55.01862	5.9
55.05501	10.1
57.03417	4.7
60.96033	3.7
67.05494	16.8
69.03415	13.4
69.07052	13.5
70.14724	8.4
70.15060	6.2
77.57763	3.6
79.05489	7.5
81.07043	15.4
85.02895	23.6
85.06555	4.6
91.05456	7.9
93.07047	10.5
95.04945	5.5
95.08594	35.4
97.02880	5.3
97.06547	5.4
99.08093	7.1
105.07024	20.9
107.04971	4.5
107.08584	25.0
109.06505	5.1
109.10148	56.0
115.03926	13.2
119.08546	29.3
121.10130	30.9
123.08052	6.5
123.11702	10.8
125.09644	7.8
133.10158	32.7
135.11684	33.7
137.05946	6.3
137.09589	19.9
137.13300	7.7
139.11165	9.0
147.11618	6.2
149.13249	17.4
151.14792	9.6
175.14795	55.9
193.15860	100.0
194.16257	5.8
215.07001	19.3
222.52823	4.5
250.10736	4.5
368.88242	4.8
406.08990	4.8
408.16177	6.9
409.18228	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	9.6
69.07050	10.9
70.59869	13.2
78.69143	6.9
81.07042	10.6
84.04498	22.4
85.02845	15.7
86.09689	100.0
91.05435	12.3
93.07038	11.0
95.08575	20.7
97.02878	8.8
102.05516	12.2
107.08582	15.0
109.10128	38.2
115.03909	25.4
117.06976	6.7
119.08562	11.5
120.08076	51.2
123.11699	10.4
132.10165	12.1
133.10072	11.0
135.11656	19.7
136.07559	54.8
137.09549	9.2
145.64406	6.7
151.03825	7.1
158.60600	7.4
162.05498	22.7
165.16367	23.6
166.08611	24.4
175.14772	16.5
193.15848	42.2
197.12877	16.7
200.07106	9.1
202.06192	8.5
211.16931	36.9
215.13887	22.6
229.17987	35.6
231.11276	10.1
246.07721	7.0
249.15974	28.8
259.08160	9.0
276.78537	8.0
334.83838	6.9
374.80539	7.1
381.75482	6.8
390.11481	8.3
408.12674	14.3
409.18231	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.4
57.07073	2.0
67.05501	4.2
69.03406	3.4
69.07051	3.9
70.68993	2.6
73.15263	1.8
79.05482	3.1
81.03397	2.0
81.07025	6.0
83.08574	2.7
85.02919	1.7
86.09695	6.9
91.05443	1.8
93.07059	2.9
95.04944	2.5
95.08597	7.8
97.06525	3.0
105.06992	2.3
107.08578	3.4
109.10153	6.4
115.03919	6.6
119.08555	7.5
120.08103	3.6
121.02906	1.7
123.08035	2.0
123.11693	5.4
132.27312	1.8
133.10133	4.2
135.11676	5.8
136.07483	2.7
137.09602	1.9
145.06438	1.8
149.02310	5.8
149.13313	2.1
164.07001	3.1
173.05974	2.4
175.14764	9.2
189.09062	1.9
193.15880	11.8
211.16895	25.8
215.07013	15.1
215.13765	1.9
245.76234	1.7
363.08395	4.5
409.18268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.11
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40129	0.6
69.44627	1.4
69.45013	1.2
79.05502	0.6
81.90459	0.6
92.93507	0.6
100.61697	0.6
119.04935	1.1
123.04424	5.8
127.03987	0.7
145.05052	0.7
147.04382	1.7
159.11815	0.6
161.05986	0.7
163.03902	1.3
177.05397	0.7
185.04239	3.7
193.04929	1.2
203.03468	1.2
203.05197	5.3
229.04970	1.7
241.04861	1.0
245.04433	3.6
246.05008	2.7
247.05742	18.5
257.04388	6.6
257.06787	0.6
258.05118	0.8
259.06094	0.7
271.05963	1.0
273.37659	0.6
287.05551	4.1
299.05527	0.7
405.66476	0.7
409.10895	100.0
409.18344	43.6
410.11194	6.0
410.18555	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	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	1.1
69.79930	1.9
70.06577	1.2
71.04984	1.7
75.99043	0.6
83.09735	0.6
84.08135	0.9
84.91771	0.5
88.44321	0.6
88.64149	0.5
97.02863	0.8
98.97575	3.6
99.04447	7.9
110.97591	1.2
115.03918	2.0
116.98604	1.7
117.05475	1.6
120.08097	1.6
128.98599	1.4
134.99675	0.7
146.99640	0.8
166.07211	1.9
189.06616	1.9
219.01743	1.7
224.02177	0.8
237.02759	3.7
280.11844	0.7
299.07501	1.2
341.05579	1.5
350.05402	0.8
368.06448	2.3
409.10995	100.0
410.11395	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92106	1.2
55.05501	2.2
56.05032	1.2
64.59914	1.2
67.05487	3.7
69.07034	2.2
71.08643	1.1
79.05473	3.3
81.07044	4.4
83.06095	5.1
83.58456	1.0
84.04494	19.8
87.69707	1.4
89.03927	4.4
91.05441	5.6
93.07037	3.8
93.21095	1.0
95.04963	3.6
95.08586	3.3
101.07119	2.1
105.07049	8.6
107.08579	1.7
109.06494	1.2
109.10131	1.7
111.21639	1.0
116.04975	18.6
117.05750	4.5
117.07030	1.9
118.06520	5.8
119.04863	1.5
119.08595	3.6
119.95429	1.1
121.06487	1.7
121.10133	2.6
123.08085	1.3
129.06566	6.8
130.04985	23.2
130.06551	3.7
131.07301	18.1
131.08350	1.8
132.04460	3.1
132.08072	7.7
134.05966	9.0
135.08070	1.3
145.02568	35.2
145.10059	2.9
146.05989	7.2
147.06625	1.5
147.07643	6.2
147.11629	2.1
151.07564	1.8
157.10088	1.5
163.03592	1.8
165.09053	2.2
167.40977	1.2
173.03163	7.4
186.05229	100.0
187.05653	2.8
206.08101	20.4
221.15462	3.3
409.27222	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	409.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01265	3.3
51.04620	2.9
55.01869	5.0
62.78484	3.3
69.03419	17.0
69.46478	16.1
70.06573	5.8
74.02431	34.6
85.02890	15.4
86.09691	15.0
87.04455	4.5
87.05595	32.9
88.03976	11.6
94.92975	4.2
97.02895	25.9
98.03226	5.5
98.97583	6.7
99.04439	11.0
101.00862	6.5
115.03923	69.2
116.03506	6.5
116.04256	24.2
119.01894	9.3
126.78053	3.1
127.03874	6.6
129.06912	4.7
131.01881	7.8
132.10173	7.6
133.03481	10.5
133.05057	6.8
133.06070	100.0
133.10553	4.9
143.01904	9.5
149.50146	3.9
155.01895	4.0
157.06473	5.5
161.02927	16.6
167.02888	4.4
173.02946	14.3
174.04457	5.6
177.05478	3.7
185.02708	4.6
185.05983	6.8
203.03999	8.8
215.03967	5.5
222.98882	19.3
224.98669	4.3
230.07391	4.7
237.02800	5.5
239.04913	9.0
239.55165	5.9
259.25986	3.4
278.09494	6.0
289.03970	10.9
301.03998	6.1
307.05014	11.5
317.07138	10.2
335.08334	5.4
348.89590	4.5
410.14413	8.6
427.80594	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	409.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48250	0.5
70.06591	2.6
73.51597	0.5
82.02950	0.5
86.09661	1.1
87.09978	0.8
91.68874	0.5
98.06058	0.6
99.04442	0.8
109.21613	0.6
114.05508	7.7
123.04437	1.2
137.02365	1.1
138.01746	0.6
139.03935	0.6
142.04916	1.1
149.04556	2.5
155.01630	0.8
166.07216	24.1
167.07048	1.9
168.07373	2.1
169.04964	2.9
174.07578	1.1
204.96584	0.5
213.12325	1.2
216.08777	1.2
228.07561	1.3
244.08134	2.4
247.09416	2.8
257.04449	1.4
261.37112	0.5
287.05530	1.4
310.17978	0.9
391.13623	6.1
400.69092	0.6
409.14618	100.0
410.15033	6.3
422.14075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
61.25463	0.9
68.99783	1.3
69.46207	0.9
70.06583	1.3
96.20033	1.0
119.04890	0.9
123.04414	9.0
127.04103	0.8
135.04410	1.3
139.03920	1.6
147.04399	2.3
151.03926	2.1
161.06020	1.0
163.03889	10.5
167.06995	1.8
185.04311	1.8
187.03792	1.9
193.05069	1.9
203.03369	3.0
203.05183	1.6
213.05627	1.1
217.04993	1.4
229.04938	2.3
245.04427	5.3
247.05835	6.4
247.09514	3.6
257.04431	18.9
258.05206	3.1
259.06079	3.5
271.06134	2.3
287.05457	8.1
288.06235	1.2
299.05511	1.5
391.08521	1.3
391.13559	2.8
409.10037	17.2
409.14841	100.0
410.15027	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	409.147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37055	0.7
56.60244	0.7
77.86290	0.6
81.06947	0.7
91.05386	0.8
93.06905	1.1
95.04860	0.9
95.08482	1.0
97.23949	0.8
105.06918	0.9
107.04829	0.9
109.10047	0.8
119.08508	0.8
129.67055	0.6
129.68124	0.6
135.07890	0.7
137.05872	0.8
151.07291	0.7
160.03844	0.7
162.06390	1.0
163.03804	2.9
173.05664	2.8
185.04135	1.5
189.09016	0.9
191.03352	7.0
203.05229	3.6
203.06854	0.8
205.04868	1.2
229.04936	1.5
229.09886	1.1
229.11960	10.5
247.09406	100.0
248.09778	4.1
257.04407	4.6
409.15009	10.0
409.18668	99.3
410.14545	1.3
410.18927	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	409.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09958	2.4
53.03909	2.6
59.55903	2.8
67.05495	7.8
69.03436	5.1
69.07051	5.5
70.06582	96.9
70.41097	2.9
71.04989	3.6
74.56239	2.8
76.78300	2.8
79.05474	11.5
81.03396	4.8
81.07045	11.5
85.06546	3.4
91.05458	10.2
93.07021	4.8
95.04943	9.0
95.08598	8.5
97.02869	5.3
98.22710	7.3
98.97572	5.1
105.03377	5.0
105.07008	8.3
107.08560	5.6
109.10117	4.6
117.06979	7.1
119.08545	6.0
120.08094	36.8
121.10095	5.2
123.04406	8.6
123.84830	3.3
125.09584	2.7
129.06967	6.7
131.04889	3.2
133.02811	19.1
135.04370	3.4
145.06441	8.0
151.03865	3.2
155.04919	5.8
157.06477	8.7
159.11670	3.3
161.09517	3.1
163.03860	13.0
173.05939	10.5
183.04355	6.0
185.05951	4.7
185.13063	3.0
187.03981	3.2
201.05453	15.4
203.05229	5.1
213.05490	3.5
217.13348	26.3
229.04922	4.6
245.12796	10.6
246.08472	6.0
247.09477	30.7
247.11737	3.7
247.13013	4.1
294.29178	3.0
299.07019	6.9
303.06595	5.4
313.15353	9.7
317.07834	3.8
345.07690	5.8
363.08273	4.2
409.16434	100.0
410.15973	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.4
55.05491	5.6
67.05486	7.9
68.29823	3.3
70.06229	6.4
70.06580	73.7
70.73196	5.9
79.05490	18.3
81.03398	7.9
81.07025	9.5
81.49616	3.4
83.04947	3.5
83.08575	4.4
85.02878	6.2
89.03909	3.1
91.05467	9.4
93.07034	7.6
95.04956	11.9
95.08574	6.1
97.02897	4.9
97.06518	3.4
103.05470	9.1
105.03387	3.6
105.06999	6.1
107.08578	4.9
109.10128	7.2
115.03899	5.3
117.07004	10.8
119.08550	8.6
120.08099	33.4
123.04385	15.8
127.03949	5.9
128.06207	6.6
129.07016	7.5
131.04944	6.5
133.02812	23.7
134.72659	3.6
145.06448	8.0
145.10117	3.5
147.07945	4.0
149.02303	6.4
151.03912	5.8
157.06412	9.3
159.04404	4.9
163.03870	17.6
173.02330	4.5
173.05948	13.4
176.15140	4.6
183.04393	6.7
184.29105	3.5
187.03847	6.9
199.04015	4.8
201.05412	17.8
203.05235	4.7
213.05376	5.5
215.06805	4.4
217.13416	17.5
219.07996	4.0
229.04854	4.2
245.12805	11.8
247.07283	3.6
247.09438	41.1
247.13148	4.4
273.10187	5.7
299.06964	5.7
313.15311	5.2
317.08011	6.5
345.07538	11.7
363.08777	4.5
391.13071	4.0
409.18753	100.0
410.17831	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52399	0.3
71.27230	0.3
72.08141	0.2
120.08065	0.3
153.06868	0.2
159.11317	0.4
173.45992	0.2
185.04228	0.3
203.05284	0.7
229.11955	0.5
409.18277	100.0
410.18658	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	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27145	0.3
55.74451	0.3
61.90962	0.3
62.15517	0.3
79.35754	0.3
105.07022	0.4
106.90801	0.3
117.06995	0.3
123.04401	0.4
158.91858	0.3
163.03894	0.4
191.03419	0.5
204.17523	0.4
229.12073	1.0
247.09720	0.5
247.13092	1.1
257.04468	0.5
285.09442	1.2
287.05237	0.4
391.17755	0.4
409.18280	100.0
410.18607	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14551	0.3
53.33016	0.4
59.29799	0.3
65.40096	0.3
69.42476	1.3
74.56915	0.4
91.05482	0.4
117.00184	0.4
121.73465	0.4
131.53989	0.4
137.05937	0.4
161.05905	0.5
166.57930	0.3
170.21469	0.4
189.09109	0.3
203.05316	0.7
229.11984	1.4
247.09395	7.6
247.13069	3.4
257.04514	1.2
287.05872	0.3
315.30624	0.3
409.18307	100.0
410.18689	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	0.3
59.96441	0.3
67.05492	0.4
69.03391	0.4
75.34439	0.4
79.05486	0.7
79.20309	0.3
81.03398	0.4
81.07044	0.5
82.93777	0.3
86.09708	0.4
93.07049	0.4
95.08598	0.4
97.06523	0.8
105.07014	0.4
109.02886	0.4
115.03929	0.4
119.08598	0.4
120.08118	0.5
123.04415	1.2
145.02779	0.3
163.03917	1.4
169.17554	0.3
213.14832	1.2
247.09518	0.9
247.12961	0.5
248.12880	0.5
259.09491	0.4
336.90121	0.4
359.16473	0.3
409.18268	100.0
410.18512	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	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15770	0.2
53.60078	0.2
69.77721	0.7
105.07079	0.2
116.23673	0.2
121.90385	0.2
134.84848	0.2
155.55753	0.2
176.70837	0.2
185.04224	0.2
189.08855	0.4
203.05203	0.8
247.12975	1.1
329.02783	0.2
409.18265	100.0
410.13089	0.4
410.18613	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2194
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
52.08094	0.6
65.22483	0.7
71.43559	0.9
144.35910	0.7
182.99710	0.6
235.39095	0.7
279.95319	0.6
335.18323	1.2
379.72711	0.7
409.21494	100.0
409.25409	11.1
410.21689	5.7
410.26315	1.3
410.36392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
78.59777	54.0
91.05459	100.0
95.04890	62.3
105.06982	99.1
119.08527	70.7
201.39629	50.8
335.18787	98.8
409.25970	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	409.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19038	1.5
52.08083	1.4
56.22309	1.7
57.16387	1.4
66.90680	1.7
91.42557	1.6
101.20760	1.7
102.56277	1.6
102.93239	1.4
149.02304	2.4
152.34073	1.4
160.34486	1.4
193.04977	3.5
212.56432	1.5
356.57251	1.9
409.21597	51.4
409.25558	100.0
410.21555	4.1
410.26547	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	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29033	0.6
71.44032	0.6
81.07047	0.8
88.66241	0.6
89.34010	0.6
91.02866	0.5
101.05978	0.6
112.94189	0.6
193.04958	1.2
205.04904	0.9
248.64032	0.7
267.87808	0.7
303.34064	0.6
409.25897	100.0
410.21152	1.0
410.26193	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	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74241	0.6
59.86756	0.6
69.42680	3.0
75.77168	0.7
82.11697	0.7
82.14411	0.6
98.23438	1.1
108.62003	0.6
136.89862	0.7
163.03909	1.4
163.21982	0.6
164.04155	0.8
207.06578	1.1
228.23175	0.9
229.23555	1.5
311.54767	0.8
409.25522	100.0
410.25983	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	409.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65578	0.4
69.45047	1.8
71.18987	0.5
76.09288	0.4
76.09736	0.5
84.43787	0.4
97.02869	1.3
99.50251	0.5
131.56720	0.4
142.25803	0.4
146.79442	0.5
205.05009	0.6
269.13644	0.8
287.05493	0.8
397.12735	0.5
409.25546	100.0
410.25784	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	409.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63606	0.6
60.76136	0.6
69.07041	0.7
71.42108	0.7
79.05481	0.7
81.07066	0.9
88.89345	0.9
92.95989	0.7
93.07040	0.7
95.08606	1.0
97.45413	0.7
98.53881	0.7
103.68011	0.6
107.08564	0.9
109.10036	0.7
173.29532	0.6
179.89363	0.7
189.29655	0.7
205.15819	0.7
269.13596	3.1
409.25540	100.0
410.25781	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	15.4
57.07069	13.8
66.35101	4.6
67.05501	23.2
69.03425	9.3
79.05485	20.5
80.18932	5.3
81.07054	23.0
83.05006	4.6
91.05463	38.4
93.07037	51.5
95.04958	59.0
95.08597	32.4
97.06538	9.7
103.05431	6.4
105.07019	100.0
107.08595	23.7
109.06501	13.2
109.10136	9.8
111.94176	5.0
115.05437	6.9
117.06980	15.0
119.08569	65.8
121.06519	17.0
121.10164	14.2
123.08076	16.2
128.06204	7.4
129.07004	7.9
130.07777	6.0
131.08566	19.8
133.06561	5.9
133.10098	24.4
135.08043	14.2
137.09636	12.2
140.88185	6.2
142.07747	13.7
143.08549	12.1
145.10104	42.5
147.08012	19.4
147.11667	32.4
149.09663	15.6
151.07552	22.2
155.08588	6.5
156.09363	6.4
157.10104	27.8
159.11708	13.9
161.09634	9.7
161.13164	9.6
165.09032	35.1
165.57385	5.0
168.09302	6.1
169.10101	11.5
171.11604	6.5
173.13237	5.7
175.11121	33.1
181.10187	8.0
183.11673	12.2
185.13300	6.2
187.11121	6.8
201.12624	9.0
201.16248	6.2
203.14339	19.2
207.13763	8.8
221.15321	73.7
228.48489	5.4
229.15952	9.3
234.16150	15.2
287.19971	8.6
329.21054	6.5
353.04767	5.1
391.26318	7.2
409.27307	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01859	1.9
55.05507	19.9
57.07072	12.6
59.05002	5.1
67.05495	24.2
69.03414	8.3
69.07060	7.2
69.32722	8.0
71.04974	2.8
71.08634	2.2
77.03890	2.1
79.05479	24.1
81.03424	3.4
81.07048	32.1
83.04967	5.1
85.06523	4.8
85.10132	1.9
89.06007	10.6
91.05473	37.0
93.07036	56.6
95.04958	47.6
95.08597	31.5
97.06526	12.6
103.05469	5.2
105.04521	2.9
105.07016	100.0
106.07326	3.6
107.04948	2.8
107.08584	28.2
109.06495	15.3
109.10145	21.5
111.08109	3.2
115.05434	3.6
117.06996	16.3
119.04970	2.8
119.07742	4.0
119.08569	64.8
120.87171	1.9
121.06487	18.2
121.10108	16.1
123.08057	18.7
125.05974	2.5
128.06223	4.7
129.07039	9.4
130.07814	4.6
131.08551	21.2
133.06471	4.5
133.08588	4.7
133.10114	19.4
135.08025	17.8
135.11684	5.4
137.05997	2.5
137.09584	8.7
141.06966	4.4
142.07790	14.2
143.08553	20.9
144.09280	4.5
145.06444	4.1
145.10103	44.1
147.08025	23.1
147.11665	29.5
149.09634	9.1
150.10309	1.8
151.07529	24.0
153.06960	3.1
155.08490	9.6
156.09355	10.2
157.10103	20.2
158.10785	2.3
159.08017	5.7
159.11694	13.6
161.09601	5.8
161.13216	4.8
163.11145	3.8
165.09097	33.8
167.08522	3.3
168.09338	5.6
169.10098	11.1
170.10774	2.4
171.11655	13.6
173.09612	4.2
173.13242	7.4
175.11177	19.6
177.09106	4.2
181.10066	5.4
181.12158	2.1
183.11630	12.2
185.13251	4.8
187.11172	3.5
189.12764	7.8
193.10056	3.9
195.11719	4.8
199.11186	4.8
199.14810	4.1
201.12718	8.8
203.14247	11.4
207.11847	2.7
207.13681	9.0
209.13190	4.5
209.15283	1.9
211.14778	7.6
213.12738	2.4
219.13829	3.5
221.13200	4.3
221.15323	54.8
222.15758	2.1
223.14783	3.5
229.15837	5.2
233.15425	3.7
234.16197	9.6
239.14789	3.8
286.19382	3.1
287.19916	7.3
300.20694	3.5
329.21088	3.5
391.25964	4.5
409.27341	37.0
410.27753	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.1
55.05502	16.4
55.10933	3.1
57.07061	9.5
59.04976	3.8
67.05492	24.3
69.03426	9.7
69.07057	9.1
69.40604	5.5
69.40999	9.2
69.48833	3.0
71.04961	3.3
71.51655	2.7
77.03920	3.3
79.05479	26.6
81.07043	35.4
83.04967	9.5
85.06559	3.6
89.06002	2.8
91.05471	37.1
93.07031	44.5
95.04964	51.1
95.08587	31.4
97.06509	9.3
103.05457	3.0
105.07016	100.0
106.07336	3.5
107.08585	27.9
109.06507	11.4
109.10143	8.0
111.08062	3.5
117.06992	16.5
119.08558	61.8
121.06516	16.9
121.10133	15.9
123.08035	15.1
128.06200	5.6
129.07004	9.3
131.08571	21.2
133.06477	4.5
133.10147	21.5
135.08023	16.4
137.09601	11.0
141.07024	4.6
142.07745	12.1
143.08548	19.9
144.09317	3.5
145.10100	42.0
147.08034	19.6
147.11673	38.4
149.09622	11.5
151.07524	23.7
155.08540	11.2
156.09270	5.5
157.10124	21.7
159.08089	5.9
159.11688	17.0
161.09628	7.2
161.13266	4.1
163.11134	6.5
165.09103	42.1
167.08572	3.0
168.09259	4.3
169.10120	11.2
171.11674	11.0
173.09467	6.4
173.13193	8.7
175.11153	20.0
177.09100	5.5
181.10152	5.0
181.12254	3.2
183.11635	15.1
185.13199	5.7
187.11230	4.5
187.14809	5.6
189.12726	10.0
197.13245	5.1
199.11157	6.1
201.12723	8.9
203.14297	20.0
207.13721	6.1
209.13292	5.2
209.15323	3.4
211.14816	6.1
219.13814	6.0
221.13225	5.3
221.15335	81.8
224.75832	3.2
229.15834	7.9
233.15379	3.6
234.16083	14.1
239.14439	2.8
286.19250	3.6
287.19974	12.3
300.20840	5.2
329.20917	4.9
391.26230	7.1
393.09680	4.9
408.12000	7.1
409.13120	25.0
409.27286	41.0
410.13339	10.9
410.27487	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15497	1.3
51.02372	1.7
53.03931	1.8
55.01870	1.9
55.05509	18.4
57.03420	1.4
57.06815	1.4
57.07059	7.9
59.04995	3.2
65.03902	2.1
67.05498	18.5
69.03426	8.4
69.07079	6.6
69.37717	3.1
69.38121	4.3
77.03889	2.3
79.05483	23.0
81.03415	2.6
81.07042	31.1
83.04951	4.3
83.08598	2.1
85.06526	2.7
88.57647	1.2
91.04929	2.6
91.05468	36.1
92.63188	1.4
93.07034	45.3
94.07338	1.3
95.04956	52.3
95.08013	2.8
95.08589	27.3
97.06525	8.7
103.05466	3.2
105.04510	2.5
105.07015	100.0
106.07284	2.5
107.04977	1.9
107.08585	24.5
109.06495	12.3
109.10127	7.2
111.08081	2.5
115.05431	3.2
117.07000	14.5
119.05984	1.2
119.08565	60.5
121.06485	15.9
121.10133	15.1
122.09647	1.7
123.08056	22.3
128.06230	4.3
129.06973	8.5
130.07736	4.4
131.08554	20.5
133.06487	5.8
133.10110	16.3
135.08051	15.9
135.11729	2.0
137.05905	1.8
137.09599	10.9
141.06956	4.9
142.07768	12.6
143.08545	14.7
144.09329	3.6
145.06447	2.4
145.10098	32.2
146.07259	1.8
147.08046	16.2
147.11662	32.2
148.08521	1.4
149.09618	11.5
151.07526	20.1
153.06966	2.2
153.09109	2.3
154.07724	2.2
155.08510	5.4
156.09309	5.3
157.10114	16.6
158.10684	1.6
159.07964	6.7
159.11693	13.5
161.09616	7.7
161.13283	2.4
163.11147	4.5
165.09091	35.6
166.07652	2.0
167.08582	1.9
168.09256	2.9
169.10141	9.6
170.10776	2.2
170.69376	1.4
171.11688	9.5
173.09525	3.8
173.13162	9.2
174.10295	1.7
175.11194	23.5
175.14857	1.7
177.09058	5.3
178.09862	3.7
179.08394	1.7
179.10718	1.9
181.09958	2.8
181.12276	1.7
183.11694	10.0
185.09692	2.2
185.13211	5.5
187.11183	5.3
187.14774	2.2
189.12733	6.3
191.14282	2.2
193.10120	2.7
195.11655	3.1
197.13213	2.9
199.11197	2.3
199.14775	1.8
201.12695	6.1
203.14294	15.3
207.13713	6.9
209.13254	3.2
209.15321	2.5
211.11090	1.8
211.14754	4.3
211.16843	1.3
213.12692	3.5
215.14284	1.9
216.15062	1.4
219.13820	4.5
221.15331	66.5
222.15651	3.7
225.16385	2.0
227.14294	2.0
229.15845	4.7
231.13728	2.6
233.15442	2.4
234.16005	12.4
236.49370	1.5
286.19257	4.3
286.63943	1.4
287.19888	8.3
300.20853	3.8
313.21451	1.4
329.21014	4.2
391.26056	4.6
409.27267	35.0
410.27271	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.05507	18.1
57.07076	11.4
59.04995	2.9
61.74126	1.6
64.99739	1.9
65.03941	3.7
67.05498	20.6
69.03422	7.7
69.07057	7.4
69.85402	5.5
71.05002	2.6
71.08649	2.0
72.75926	1.7
74.76492	1.9
77.03927	1.7
79.05482	24.1
81.07050	38.2
81.07515	3.7
83.04990	6.7
84.64587	1.8
85.06559	3.6
89.06021	5.8
91.05473	44.5
93.07035	51.3
93.07599	3.0
94.07417	1.8
95.04961	52.9
95.05527	3.5
95.08600	26.0
97.06541	7.8
103.05460	3.2
105.04532	3.6
105.07023	100.0
107.08595	22.5
109.06511	14.6
109.10144	9.2
111.08092	3.4
115.05468	4.1
117.07032	14.1
119.02672	1.8
119.08570	67.1
120.08972	2.8
121.06505	14.7
121.10137	13.1
123.08057	20.9
128.06219	6.1
129.07025	8.1
130.07808	4.1
131.08551	22.5
133.06491	6.1
133.10115	15.3
134.10518	2.0
135.08040	19.1
135.11699	3.5
137.09624	10.9
141.06987	4.6
142.07776	13.0
143.08549	15.6
144.09319	4.4
145.06468	2.8
145.10114	37.3
145.11211	2.5
146.10938	2.6
147.08035	22.4
147.11674	35.3
149.09618	12.0
151.07507	18.9
153.06973	2.9
153.09026	2.1
155.08543	8.0
156.09363	5.0
157.10130	18.4
159.08073	4.5
159.11665	15.5
161.09630	6.7
161.13240	6.3
163.11127	3.5
165.07037	2.6
165.09096	34.7
166.09547	2.4
168.09331	5.7
169.10060	12.2
171.11693	10.1
173.09641	5.7
173.13258	7.1
175.11154	21.1
175.14835	2.4
177.09114	4.8
181.10109	5.6
183.11696	7.6
185.13271	4.6
187.11182	3.5
187.14824	2.7
189.12755	8.3
191.14273	2.6
194.10918	2.4
195.11678	3.0
196.12498	2.7
197.13258	4.4
197.28888	1.9
199.11209	2.6
201.12762	11.9
203.14279	17.0
207.11906	1.9
207.13812	8.2
209.13283	2.5
209.15335	2.0
211.14830	5.4
213.12706	4.3
216.14986	1.7
219.13832	4.2
221.13326	2.1
221.15334	59.7
222.15723	2.9
223.14651	1.9
225.16367	2.5
229.15909	3.5
233.15366	3.0
234.16183	12.4
239.14711	3.4
253.15985	3.6
276.81958	2.3
286.19315	3.6
287.20074	6.7
300.20947	3.5
329.21091	4.4
391.26205	2.7
392.31421	3.1
409.27289	25.1
410.27670	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86892	1.5
55.05500	11.7
56.19209	2.2
57.07056	2.9
67.05494	29.4
69.07055	22.1
69.54831	3.5
73.54059	1.6
79.05479	21.9
79.10175	1.6
81.07042	64.3
83.08592	7.7
89.17296	1.8
91.05459	22.4
91.71750	1.5
93.07030	50.2
95.04973	2.1
95.08590	100.0
97.10147	4.4
105.07014	56.2
106.07317	1.8
107.08577	64.3
108.08877	2.5
109.06506	2.9
109.09414	3.4
109.10139	42.7
111.08064	7.0
111.11701	2.0
117.06997	4.7
119.08558	49.3
119.09401	2.7
120.08873	1.9
121.06487	2.3
121.09254	3.2
121.10117	49.9
123.11697	11.1
125.09619	3.2
129.06999	1.9
131.08551	16.8
133.09171	2.8
133.10112	32.1
135.11664	22.4
137.09656	2.9
137.13222	3.4
139.11211	1.7
143.08511	6.3
144.09314	2.1
145.10097	28.4
147.11664	45.3
147.12859	2.3
148.11974	2.7
149.13232	57.7
150.13542	2.2
157.10115	9.8
158.10847	2.3
159.11670	24.5
160.12175	2.0
161.13234	27.8
163.11145	2.7
163.14792	37.1
165.16302	3.2
171.11630	8.8
173.13245	17.7
174.13707	2.0
175.14790	31.3
176.15092	1.8
177.16351	39.6
183.11655	2.5
185.13199	7.5
187.14796	34.3
189.16341	36.2
191.14185	2.2
191.17943	12.5
199.14781	7.0
201.16347	13.4
203.14270	4.9
203.17912	54.0
204.18239	2.9
205.15842	11.2
205.19498	8.3
213.16342	11.5
215.17929	9.6
217.15846	5.6
217.19475	6.7
219.17395	6.1
227.17915	7.2
229.19443	5.8
231.17427	11.0
231.21114	4.6
233.18954	4.8
239.17906	2.5
241.19472	6.7
243.21034	5.3
245.22481	2.1
247.20656	1.9
249.44139	1.7
253.19482	2.0
255.21115	6.1
257.22668	2.1
262.99765	1.6
269.22485	1.9
313.25104	2.7
351.30322	13.4
391.33643	11.0
406.92862	1.9
409.25879	33.8
409.34558	93.4
409.93420	1.7
410.25586	3.7
410.34995	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	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40493	1.5
53.81948	2.0
55.05506	15.0
57.07061	3.2
65.03931	1.7
67.05499	18.9
68.54622	2.0
69.07065	20.3
71.08588	2.0
79.05482	17.8
79.33936	1.9
81.07049	62.7
83.08598	8.0
91.05473	20.6
93.07035	45.9
95.04951	3.4
95.08595	100.0
96.08904	3.3
97.06528	2.4
97.10159	5.3
105.07016	53.8
107.08581	70.3
109.06525	4.1
109.10141	39.7
111.08074	5.5
117.07024	3.1
119.08570	42.6
121.10133	46.4
123.08094	2.4
123.11691	13.9
125.09607	2.1
129.07024	3.5
131.08549	14.8
133.10120	34.0
135.11679	25.6
137.13232	2.8
143.08525	5.1
145.10101	30.3
147.11659	35.3
149.13229	52.2
150.13588	1.7
157.10066	10.5
159.11655	22.0
161.13222	22.7
163.14795	33.7
171.11644	8.6
173.13251	13.9
173.14627	2.3
174.25110	1.9
174.54808	2.2
175.11290	1.9
175.14793	33.2
176.15126	1.8
177.12807	3.5
177.16365	32.8
183.11690	2.2
185.13266	6.0
187.14789	29.3
189.16360	34.7
191.17914	14.1
197.13304	2.8
199.14827	5.2
201.16391	11.4
203.14275	3.5
203.17921	38.3
205.15891	11.4
205.19467	8.2
211.14873	2.0
213.16364	12.8
215.17914	7.4
217.15828	4.5
217.19464	6.2
219.17455	2.7
227.17896	6.3
229.19450	5.7
231.17421	7.1
231.21086	3.8
233.18951	3.3
239.17937	2.6
241.19489	7.7
242.19890	1.8
243.21046	4.0
245.19084	2.2
253.19215	2.0
255.21080	4.2
267.20975	2.4
269.22556	3.0
295.24512	1.9
351.30548	10.1
391.33362	11.3
409.26205	11.1
409.34598	85.8
410.25800	2.0
410.34738	11.2
418.51941	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	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.7
57.07043	3.2
67.05495	22.9
69.03446	2.3
69.07058	27.6
79.05473	25.3
81.07042	61.4
83.05031	2.7
83.08614	9.5
91.05470	18.1
93.07027	54.0
95.04961	6.2
95.08590	100.0
97.06515	3.0
97.10133	3.9
105.07004	65.5
107.08577	65.2
107.95088	2.8
108.08871	3.2
109.06484	3.4
109.10130	42.4
111.08036	8.0
115.97518	2.5
117.06995	9.0
117.45798	2.6
117.46607	2.4
119.08556	50.0
121.10123	47.1
121.40118	2.6
123.11705	12.5
129.06918	4.2
131.08545	19.5
133.10097	34.3
135.11674	21.1
136.32603	2.5
137.09604	2.4
143.08514	6.7
145.10077	24.4
147.11655	36.1
149.09579	4.0
149.13229	54.1
157.10101	7.9
159.11641	25.9
161.13217	26.7
163.11206	3.0
163.14790	37.3
171.11681	6.8
173.13208	19.8
175.14798	34.8
177.16350	37.5
185.13193	5.2
187.14784	37.6
189.16344	31.8
191.17862	12.4
199.14767	5.7
201.16335	15.2
203.17915	48.1
205.15799	8.7
205.19437	6.9
213.16321	9.6
215.17911	6.8
217.15872	6.4
217.19511	5.8
219.17439	5.1
227.17888	5.4
229.19460	4.4
231.17378	8.2
231.21013	3.9
241.19420	7.8
243.21086	4.3
255.20981	5.6
289.56580	2.4
301.33728	2.8
306.61737	3.0
351.30402	11.7
391.33395	13.3
409.25595	40.3
409.34470	90.6
410.25555	3.9
410.34930	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	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54850	3.2
55.05491	9.4
57.07058	4.7
67.05492	23.3
69.07047	20.6
70.06580	7.6
79.05486	18.0
81.06625	4.4
81.07048	58.1
83.08588	9.2
88.07616	6.9
91.05470	13.6
93.07034	41.6
95.04974	8.2
95.08598	100.0
97.10146	3.8
97.50594	3.5
102.09148	4.5
104.02142	3.5
105.07024	41.4
107.08579	49.4
109.06535	3.8
109.10130	35.7
111.08067	4.7
117.06959	4.0
117.63625	3.1
119.08564	37.5
121.10138	43.3
123.11692	15.0
131.08534	13.3
133.10120	29.4
135.11703	24.1
137.13203	6.0
139.72353	3.8
143.08566	4.2
145.10098	28.9
147.11630	29.8
149.13240	45.1
155.41910	3.3
157.10123	11.1
159.11711	17.4
161.13222	18.6
163.03873	22.1
163.05054	4.5
163.14803	32.3
164.04198	17.6
171.11650	8.0
173.13226	15.6
175.14804	25.2
177.16365	34.2
185.13214	4.8
187.14781	28.0
189.16348	30.7
191.17923	6.1
195.11780	3.4
199.08664	7.7
201.16364	10.7
203.17935	45.2
205.15863	10.6
205.19589	4.8
207.06487	23.4
208.06798	16.1
213.16316	9.9
215.17938	7.5
217.15849	6.5
217.19540	5.1
227.17958	5.1
228.23215	10.3
229.19472	4.6
229.23506	14.4
231.17465	7.9
243.21051	4.2
255.20970	3.5
271.23788	3.1
302.13162	3.4
351.30383	12.5
391.33478	8.3
409.25372	57.3
409.34338	69.0
410.26324	7.0
410.35016	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.4
65.03924	1.7
67.05497	26.2
68.95761	1.6
69.07060	23.1
69.12515	3.3
69.12917	8.1
72.14629	1.4
79.05489	19.6
81.03403	2.0
81.07049	65.0
83.08611	8.3
85.06532	2.0
91.05463	20.3
93.07038	52.9
94.07359	1.9
95.04964	4.2
95.08598	100.0
96.08929	1.9
97.06532	3.8
97.10153	6.3
97.37209	1.5
98.22725	3.6
105.07026	63.2
105.07735	3.8
106.07364	2.2
107.08586	61.6
109.06504	4.8
109.10146	41.9
111.08083	7.6
117.07026	5.4
119.08567	43.1
121.06528	2.4
121.10132	50.0
123.08080	2.1
123.11711	14.4
125.09653	2.1
129.06967	3.9
130.07799	2.4
131.08557	17.7
133.10117	32.5
133.11111	1.7
135.11679	26.9
137.13232	2.9
143.08543	7.0
145.10097	25.0
147.11662	40.0
148.12053	1.6
149.09601	2.3
149.13237	58.3
155.08549	1.8
157.10123	7.8
158.04510	1.8
159.11670	24.7
161.09653	1.9
161.13245	24.8
163.14818	35.0
171.11684	6.6
173.13272	14.7
175.14806	28.2
176.26146	1.7
177.12755	2.3
177.16367	39.0
185.13274	6.5
187.14801	28.1
189.16359	33.2
191.14259	2.4
191.17889	13.2
197.13145	1.9
199.14780	4.4
201.16348	14.8
201.41191	1.6
203.14464	2.2
203.17934	43.2
205.15831	13.4
205.19554	7.1
213.16344	11.5
215.17950	8.7
217.15837	4.5
217.19531	7.4
219.17477	4.6
227.17874	8.0
229.19495	4.7
231.17351	9.7
231.21037	3.3
233.18939	4.2
239.17642	2.1
241.19533	7.7
243.21167	4.2
245.18877	3.5
253.19453	2.3
255.21037	5.6
255.78734	1.7
257.22507	2.6
259.20535	2.9
264.23224	2.2
267.21106	3.6
269.22662	3.5
281.22369	2.5
288.55502	1.8
351.30505	10.8
353.31741	2.3
391.33411	8.4
409.17896	1.9
409.34637	94.3
410.34991	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	410.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49063	1.9
56.96561	27.1
69.03410	2.1
71.04993	3.1
79.10638	1.6
84.96022	14.2
97.02907	3.7
98.97575	77.8
99.04446	26.9
102.97112	2.4
103.13647	1.7
110.97560	27.0
112.99139	2.9
114.05416	1.7
115.03936	7.5
116.04247	2.2
116.98623	34.7
117.05495	4.2
128.98592	30.7
131.00172	5.6
134.99646	12.6
140.00323	1.7
140.98686	4.0
143.00156	7.9
144.98061	3.3
146.99648	19.5
158.99617	8.9
161.01207	17.8
162.99146	2.3
170.99651	8.4
177.00690	12.6
179.00151	4.3
179.02367	3.2
189.00708	8.3
197.01140	11.0
201.00713	8.6
215.02382	1.8
219.01750	63.6
221.01518	1.7
224.02283	9.4
227.61290	1.6
231.08829	1.8
232.13528	2.0
232.25014	1.9
237.02797	100.0
239.02319	2.9
242.03383	5.2
248.02327	2.2
248.09175	2.9
255.03964	5.2
260.20065	1.7
261.03030	1.9
266.03198	4.2
275.02286	4.0
283.04913	1.9
290.03262	2.0
292.04584	3.3
293.03351	4.4
302.03162	2.2
305.03418	2.6
308.04187	2.6
320.04706	2.0
323.04306	7.9
341.05399	51.1
342.05923	2.4
350.05441	28.3
351.05600	2.7
359.06662	12.9
367.10001	4.9
368.06494	42.7
386.07507	2.9
410.06488	2.8
410.11566	11.6
411.08752	12.9
411.12659	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	410.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.4
59.47008	0.3
65.16463	0.3
69.03418	1.4
71.04982	14.8
74.37386	0.3
81.03404	3.7
85.02886	1.6
97.02882	3.2
98.23511	0.5
99.04439	100.0
100.04784	1.7
102.90633	0.3
108.04472	0.3
109.02862	1.8
117.05476	12.7
127.03910	1.9
145.04938	2.6
171.06560	1.4
243.08614	3.8
244.08923	0.3
261.09628	3.2
357.12054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
69.03423	1.9
69.50278	1.6
71.04985	15.9
81.03404	3.8
85.02888	2.1
97.02897	3.1
98.23474	0.5
99.04446	100.0
100.04782	1.3
109.02872	2.0
117.05482	12.3
119.71341	0.4
127.03867	1.9
145.04941	2.2
171.06456	1.4
195.13895	0.4
195.34283	0.3
203.30360	0.3
243.08653	3.5
261.09647	2.6
295.18256	0.3
341.67413	0.3
358.39249	0.4
380.38635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.1
56.96549	2.9
57.03417	1.7
59.04985	1.8
69.03419	9.6
69.46283	3.2
69.96561	0.9
70.06583	1.9
71.04984	23.7
72.08167	1.1
81.03407	5.1
85.02888	8.1
86.09659	1.1
87.04486	5.5
91.05470	1.3
97.02880	17.2
98.97553	4.0
99.04442	100.0
100.04778	2.4
103.05434	0.9
107.04930	1.0
109.02849	3.3
115.03912	75.1
116.04237	2.3
116.98588	2.4
117.05477	28.8
123.89339	0.8
127.03890	4.2
128.98608	2.0
132.08052	2.2
133.04941	5.6
134.99695	1.2
145.04955	4.7
146.06039	2.3
148.07460	1.0
156.08092	1.6
166.07259	1.8
171.06544	1.1
184.07558	2.9
188.07027	2.6
202.08594	1.4
212.07169	1.0
219.01649	2.5
230.08086	1.3
231.01720	1.4
231.08604	25.2
237.02861	3.7
243.08493	3.3
248.09140	2.4
249.12276	1.7
255.01654	1.6
259.08047	4.1
261.09595	4.0
273.02655	3.1
277.09067	4.4
337.02655	1.0
341.05408	1.1
410.14737	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	410.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.3
64.48261	0.3
65.45916	0.3
67.05506	0.3
68.05029	0.3
69.03416	0.5
70.06583	100.0
71.04987	0.3
71.06923	1.0
71.44299	0.3
75.33804	0.3
79.05494	0.7
81.07050	0.7
85.02911	0.5
91.05462	0.7
93.07038	0.6
95.04958	1.4
95.08586	0.8
97.02871	0.5
98.18348	0.3
99.04472	0.8
103.05463	1.0
105.03436	0.4
105.07034	0.5
107.08588	0.7
109.10162	0.4
112.52840	0.3
117.07035	0.4
119.08545	0.4
120.08089	31.2
121.08432	0.7
121.10129	0.3
123.04430	0.7
125.09613	0.5
125.30065	0.3
129.07021	0.7
131.08476	0.3
133.02829	1.1
134.03191	0.5
137.09631	0.4
145.06500	0.4
145.10071	0.3
166.08626	1.9
173.06046	0.5
195.13725	0.3
201.05556	0.5
203.05177	1.8
213.14845	0.4
217.13333	25.7
218.13716	1.3
219.08672	0.3
224.94595	0.3
231.13576	0.4
245.12836	12.1
246.13240	0.5
248.09766	0.7
262.90445	0.3
263.13846	0.5
286.00320	0.3
313.15411	6.9
313.18787	0.6
314.15689	0.3
381.18808	2.2
410.21533	3.0
411.19879	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	410.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.05502	8.2
56.05022	2.6
57.03426	4.4
57.07062	9.3
58.63327	1.7
67.05492	5.8
69.03429	12.1
69.07059	30.4
69.71632	3.5
69.71999	3.4
71.04981	4.2
71.08627	2.2
79.05482	5.8
81.03410	5.1
81.07057	16.2
83.04928	1.9
83.08600	8.7
85.02897	31.2
85.06517	3.1
91.05460	4.9
93.07037	18.5
95.04977	2.3
95.08591	28.2
97.02869	7.4
97.06522	4.4
97.10159	7.0
98.09679	4.5
99.04395	3.4
99.08057	2.8
102.05466	1.7
105.07036	5.8
106.06516	3.0
107.08575	32.2
109.02856	4.0
109.10136	18.5
111.08094	3.2
111.11712	6.0
115.03907	4.6
115.28566	1.8
121.10133	72.8
122.05963	2.0
123.11678	7.9
125.09605	7.6
127.03906	6.8
127.11195	2.9
129.07010	3.9
133.05188	2.0
134.06042	3.3
135.11670	26.8
136.07584	3.2
137.07877	2.0
137.13232	7.4
139.11166	71.7
140.11467	2.1
145.04932	5.3
149.13222	6.4
151.14824	4.7
152.07077	2.7
156.08379	4.5
156.10228	7.1
164.07054	2.8
165.16353	6.1
177.16379	100.0
178.16704	5.2
195.17427	83.5
196.17729	4.4
203.05272	3.7
213.18451	15.5
231.19527	2.7
237.10294	4.7
259.11096	34.4
265.09622	2.8
283.10626	3.1
318.33350	2.1
361.11752	5.5
369.84671	2.3
379.12958	18.0
410.18399	25.3
411.15182	8.3
411.19797	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	410.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80396	1.0
51.86134	1.1
54.80265	1.1
55.05510	2.2
57.07068	37.6
59.54382	1.1
67.01711	1.2
67.05522	1.4
69.07047	2.5
70.71265	2.0
71.08624	22.5
73.06536	3.1
80.81132	1.1
81.07036	2.0
82.07390	1.2
83.08594	2.1
85.10173	19.8
87.04443	2.7
88.07732	1.2
89.06020	100.0
90.06360	1.6
91.05460	1.3
95.04967	1.4
97.10158	3.8
99.11720	3.3
105.07015	3.7
106.07323	1.4
107.07061	3.4
113.13277	1.7
117.09073	1.6
117.88704	1.0
119.08538	1.9
120.08897	1.3
123.07987	1.4
133.08586	48.0
134.08945	1.3
138.44368	1.3
141.55582	1.0
151.09645	4.1
155.17918	4.5
157.09860	1.1
177.11206	9.5
195.12193	3.2
199.20535	2.6
205.69388	1.1
239.14859	25.8
243.23114	6.7
244.05453	1.3
250.84007	1.3
287.25821	2.3
349.29419	2.1
393.32077	20.9
394.32443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	5.6
63.60655	2.3
69.66202	10.5
70.06575	6.0
75.52801	2.5
81.38414	2.4
95.82481	2.3
98.97559	10.4
99.04438	3.4
110.97569	3.4
116.98597	2.6
128.98596	4.5
139.03877	6.4
140.04189	3.3
150.05420	2.7
150.07858	2.5
155.01634	5.3
183.01108	3.2
184.01389	3.5
219.01723	7.5
237.02782	11.9
239.11305	2.7
260.55869	2.7
273.05963	3.7
304.03610	5.0
305.52551	2.7
352.06836	4.9
370.07959	12.5
411.06787	100.0
411.11734	3.7
412.07971	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	411.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47557	0.8
51.02396	0.9
55.01867	1.8
57.47363	0.8
65.03933	1.7
66.04754	0.9
69.38925	3.2
75.17146	0.8
77.03920	0.9
79.05489	3.8
81.07049	2.2
84.14326	0.9
91.05467	17.9
94.04174	3.4
94.72997	0.8
94.99224	1.0
95.04969	4.3
103.05457	6.0
104.40449	0.8
105.07026	3.2
107.04935	8.2
109.06531	4.7
111.04461	1.0
115.05472	1.7
117.06982	1.6
119.04927	8.8
121.06475	5.4
122.03628	7.7
125.05962	1.2
128.06230	4.0
129.06985	19.9
131.04904	10.0
131.08546	2.9
133.06471	2.4
134.03595	1.7
135.04388	1.5
135.08084	1.8
136.05214	2.2
137.05956	100.0
138.06279	4.3
143.04933	2.2
145.06468	3.3
146.07220	2.1
147.08058	1.1
148.05180	2.2
149.05956	13.8
150.06531	1.1
151.03906	4.8
151.07518	49.4
152.06227	1.1
152.07906	1.8
153.06979	2.4
154.07791	0.9
157.06456	19.2
157.07652	1.3
158.07133	1.2
159.08076	1.3
161.05957	30.4
161.09589	8.8
162.06445	1.4
163.07529	10.6
165.06972	9.4
165.09108	1.4
167.08553	3.6
169.06479	2.1
174.06712	8.5
175.07520	5.7
177.09152	1.6
178.00276	0.8
178.07794	7.7
179.08493	2.5
181.06514	3.2
182.07263	3.4
183.08003	1.2
189.09081	54.5
190.09468	2.8
191.08492	1.0
192.09425	2.7
193.06471	7.6
193.08348	1.0
193.10100	10.4
194.07300	0.9
195.08014	6.5
197.05960	3.7
197.09705	1.7
202.07854	1.6
203.08504	2.7
206.07260	3.9
207.04393	2.4
207.07953	1.5
207.10075	1.0
209.05963	1.9
209.09564	1.3
210.06712	8.8
210.10312	2.1
211.07477	4.2
212.08308	1.7
219.08005	1.9
220.08844	1.7
221.06026	9.4
221.09575	16.2
222.06540	1.2
222.10071	1.8
223.07504	3.6
224.08298	3.6
225.05464	3.1
225.09041	10.6
227.07014	0.9
227.10657	2.9
231.08141	1.5
234.06810	3.7
235.07544	1.9
235.11282	1.4
237.05688	1.4
237.09090	2.4
238.06206	7.4
238.09979	1.2
239.06999	3.0
239.10669	1.5
240.07767	7.0
241.08524	2.5
249.09068	8.4
250.09489	1.2
251.07141	2.0
252.07793	3.0
253.08594	31.3
253.12231	24.8
254.09242	2.0
254.12531	2.4
255.06540	1.7
255.10173	2.8
257.08163	1.0
261.04288	1.4
266.09338	2.5
267.10089	5.4
269.08017	5.9
270.08844	1.7
271.09650	1.0
271.13269	2.8
272.10370	8.1
281.11722	15.2
284.10379	2.7
285.11172	25.9
286.11398	1.5
287.05783	7.0
287.12784	6.6
289.07394	1.1
298.11996	1.9
299.12729	6.7
313.14291	31.9
314.14551	2.6
331.15320	5.7
379.08533	2.7
411.10986	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	411.1412
Annotation	beta-TOXICAROL
Peak:m/z	Relative Intensity
55.01863	1.5
55.05504	8.0
58.38800	1.2
58.60699	1.0
65.50937	1.0
67.05500	3.4
69.07059	5.3
70.06576	3.6
70.64436	2.1
76.69746	1.0
79.05480	1.9
81.03442	1.3
81.07049	5.4
82.06550	1.4
83.08610	4.2
84.04485	2.3
86.09689	2.3
91.05479	1.3
93.07043	3.0
95.08592	3.0
98.09695	1.7
100.07609	2.4
100.11238	21.3
101.11591	2.2
105.07027	1.5
106.04964	1.1
107.08588	2.8
109.10162	2.9
111.04421	4.0
128.07047	2.6
135.11783	1.2
140.07082	1.3
141.43904	1.1
147.11568	1.4
148.00311	1.3
154.12250	1.5
156.13828	3.6
163.08900	1.3
168.13847	5.6
169.14243	1.5
173.16397	2.5
177.16310	1.5
182.15379	5.1
196.13289	7.1
209.16507	3.0
210.14891	8.9
211.15190	1.5
227.17592	2.0
242.62418	1.2
253.15439	1.4
255.31454	1.3
261.20691	1.1
266.87912	1.2
273.95285	1.2
304.73862	3.3
312.26468	1.4
379.16452	2.7
399.33780	1.2
411.14090	100.0
412.14389	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	411.1544
Annotation	Kopsofinone
Peak:m/z	Relative Intensity
54.26162	0.8
55.01846	0.9
69.03414	0.8
79.05484	2.0
81.03431	1.0
85.02892	0.9
95.04945	1.0
97.02888	1.2
104.05016	2.3
106.06523	7.5
107.04946	1.5
109.06503	0.9
115.69250	0.8
121.07597	0.9
129.07025	1.3
131.04900	1.5
131.05963	0.8
132.04456	3.4
132.05641	1.8
133.02861	0.9
133.05205	3.5
134.06000	9.4
136.07416	0.9
137.06023	1.3
145.06500	0.9
146.05983	1.0
150.05551	1.0
157.05238	1.2
159.05579	5.6
165.07062	1.2
166.09877	0.8
184.06256	2.4
184.07640	1.3
185.07082	3.4
186.05504	1.0
197.07153	1.5
198.07710	1.1
201.05368	1.4
203.05322	7.1
209.07082	2.1
209.10683	1.7
212.07019	1.1
220.07597	4.9
221.07080	5.5
222.07855	3.6
223.08682	5.4
224.07079	1.9
235.08601	2.6
237.10199	19.3
238.08476	1.8
238.10663	1.4
239.11403	1.2
241.09657	1.8
247.08623	3.2
248.07063	1.9
248.09399	2.0
257.08331	1.2
259.08530	1.2
261.10181	2.0
263.08163	0.8
263.11725	2.9
265.09732	15.1
266.10269	1.1
270.09106	1.8
273.09964	1.4
283.10815	13.0
287.11752	2.2
297.10190	3.3
298.08359	1.6
301.09848	1.5
315.11111	3.4
321.07660	1.0
325.09833	1.2
326.08124	1.3
333.12164	1.5
343.10782	8.5
344.08994	1.6
361.11771	27.0
362.11942	1.6
375.13220	1.1
379.12842	100.0
380.13248	6.7
393.14316	1.6
411.15332	48.0
411.19885	46.7
412.15475	3.7
412.20016	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	411.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26775	0.8
69.27189	1.1
74.71083	0.3
86.09732	0.4
114.37012	0.4
125.74705	0.4
178.07800	0.4
230.77417	0.3
249.11023	1.1
251.09258	0.4
267.10550	0.3
309.15134	0.4
411.16199	100.0
412.16544	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	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65157	0.5
58.78554	0.4
60.00523	0.4
60.49767	0.4
64.34303	0.5
66.67219	0.5
67.05507	0.4
69.03413	0.6
69.75067	1.5
70.06597	0.5
71.04978	1.5
72.08142	0.6
79.05496	0.6
81.07037	0.7
85.02911	3.3
93.07043	0.7
95.08591	0.8
96.02216	0.5
129.05475	0.7
131.04857	0.6
145.04906	0.7
147.06433	0.6
149.03279	0.4
160.29538	0.4
163.03848	0.8
175.99379	0.4
203.05219	0.9
213.18378	1.0
249.10931	1.2
312.15530	0.6
342.41269	0.5
351.13135	0.6
399.87274	0.5
411.16037	100.0
411.20065	59.0
412.15738	6.6
412.20554	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	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97993	0.5
69.13480	3.7
81.07080	0.5
93.07082	0.7
95.08662	0.9
98.22700	1.2
100.11311	1.1
105.07096	0.8
107.08640	0.7
119.08627	0.6
119.67037	0.5
121.10152	0.8
123.04394	0.6
129.07025	0.5
136.06137	0.7
137.06012	1.4
138.04216	0.5
142.74828	0.5
144.04472	0.7
149.13232	0.6
161.06038	1.0
177.99907	0.5
179.03418	0.8
180.03819	0.8
185.04272	0.9
189.09123	0.6
235.34506	0.6
247.09695	0.6
249.10959	100.0
250.11325	3.1
410.33517	1.1
411.15863	37.0
412.16214	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1987
Annotation	diflorasone
Peak:m/z	Relative Intensity
69.03432	0.3
69.18964	0.7
69.19364	1.0
73.02921	0.4
74.22928	0.3
85.02906	1.2
97.02889	0.6
98.23524	0.5
106.43266	0.2
127.03900	0.5
131.67183	0.3
145.04976	0.5
163.03839	0.5
203.05379	0.9
209.82498	0.3
220.69235	0.3
239.11934	0.3
249.11104	0.3
249.14755	0.4
259.05893	0.3
266.67993	0.4
279.29019	0.3
398.31671	0.4
411.19980	100.0
412.20303	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	411.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35703	0.3
69.03419	0.4
71.03053	0.4
72.53885	0.4
73.02901	0.5
76.53262	0.3
85.02900	0.6
95.35900	0.3
97.02885	0.3
145.04965	0.4
203.05284	1.8
237.63870	0.3
249.14609	0.4
281.27759	0.4
291.64975	0.4
411.19824	100.0
412.20187	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	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
67.05495	0.4
70.06583	2.0
71.06933	0.4
81.03411	0.3
81.07045	0.3
91.05464	0.3
93.07040	0.4
95.04995	0.3
95.08575	0.3
97.06520	0.2
105.07035	0.4
107.08637	0.3
120.08078	0.5
133.10184	0.3
147.11697	0.3
203.05243	1.3
218.13663	0.4
230.12056	0.3
239.11479	0.3
249.14537	1.8
294.17752	0.3
336.73907	0.2
360.88065	0.2
367.17340	2.0
381.18643	2.0
411.19809	100.0
412.20181	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	411.1988
Annotation	diflorasone
Peak:m/z	Relative Intensity
51.60799	0.2
69.03420	0.3
70.47990	0.2
70.60974	0.3
71.04970	0.2
79.05476	0.4
81.07045	0.3
91.05473	0.9
95.04961	0.5
97.02888	0.3
104.13587	0.2
105.07012	0.4
107.04916	0.4
109.06518	0.5
119.04916	0.6
121.06477	0.5
122.03699	0.4
123.04396	0.3
129.06966	0.9
131.04913	0.4
131.08476	0.3
137.05962	4.5
147.04430	0.3
149.05975	0.7
151.03958	0.4
151.07532	2.1
157.06450	1.2
161.05959	1.4
161.09608	0.4
163.07538	0.4
165.06993	0.7
167.08546	0.3
169.06422	0.3
174.06686	0.3
175.07576	0.4
178.07764	0.5
189.09039	1.9
193.06409	0.3
193.10104	0.2
197.05957	0.4
201.05418	0.2
203.05296	1.8
210.06726	0.6
221.09627	0.8
231.13629	0.3
238.06238	0.6
249.11255	0.3
249.14619	1.0
253.08557	1.1
253.12274	0.7
267.10458	0.3
272.10376	0.4
281.11707	0.5
284.10257	0.3
285.11172	1.2
285.15073	0.2
287.05762	0.5
287.12881	0.3
313.14279	1.3
331.15491	0.4
411.19803	100.0
412.20166	6.8
426.70047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05933	0.3
53.26922	0.3
54.97244	0.3
55.05490	0.4
65.59642	0.3
69.03433	0.4
69.60249	1.1
71.86411	0.3
75.18360	0.3
79.05457	0.6
81.03423	0.3
81.07063	0.6
83.04993	0.4
85.02888	0.4
91.05434	0.4
93.07012	1.0
95.04939	0.6
101.65762	0.4
105.07070	0.5
107.08559	0.9
109.10139	0.4
117.54936	0.3
127.03864	0.4
135.11647	2.0
191.14687	0.3
203.05226	1.6
214.51906	0.3
231.13573	0.4
239.11320	0.6
249.14630	0.7
312.13596	0.3
355.46124	0.4
379.12897	0.6
411.19824	100.0
412.20132	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	411.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	42.7
67.05479	9.9
71.44599	9.4
81.07063	18.4
85.61790	7.4
87.60592	7.5
89.44834	8.3
93.07023	13.0
95.08581	10.4
105.07034	10.0
113.17460	9.9
113.90810	8.3
119.08540	12.7
205.04955	10.5
207.63751	8.4
218.17963	8.6
241.11069	18.8
242.11296	9.6
245.67136	7.7
259.12234	32.4
319.19427	37.6
326.99994	12.2
337.20477	100.0
338.20905	8.8
355.21475	93.2
356.22067	11.0
378.23242	10.5
411.24698	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	86.5
76.61334	38.8
78.06046	48.0
81.07059	79.9
83.08622	38.4
86.90051	43.7
89.06026	100.0
90.59178	48.6
95.08564	58.5
108.02984	38.4
131.82933	43.5
133.08626	53.8
174.62500	41.8
209.14389	42.2
217.46111	40.0
291.69727	42.8
294.72061	50.1
339.21545	54.8
345.21649	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68803	25.1
59.19496	25.6
61.08733	25.0
70.56145	41.0
70.56485	24.2
71.45074	28.7
78.76520	23.8
78.98997	30.3
81.07079	35.1
85.10149	26.8
88.07593	24.8
91.05482	29.0
93.04794	22.9
93.07013	32.4
93.49221	22.6
95.08584	46.2
107.08585	43.9
123.11697	30.0
135.21959	28.2
147.11569	27.4
147.56354	25.3
176.56151	25.9
193.04840	25.4
206.74432	24.7
214.64297	29.2
264.00296	23.9
309.08221	26.8
320.29233	26.0
334.86127	28.6
411.25134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	14.0
69.07059	16.7
69.53510	42.9
81.07050	25.6
91.05460	20.9
95.08601	29.5
98.23407	32.1
105.07018	65.0
106.07365	40.2
106.15841	13.2
107.08590	21.0
119.08621	14.6
122.09664	47.1
123.10003	21.4
128.93845	13.6
133.10136	21.8
135.11714	16.0
159.11751	18.8
165.12752	17.9
189.16426	18.9
376.66745	17.8
411.14172	24.8
411.24838	100.0
411.36383	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	411.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40747	5.8
55.05507	19.8
61.24247	6.3
62.69443	6.1
67.05486	34.1
69.07049	11.7
69.77423	19.4
70.78909	7.0
79.05474	19.3
81.07037	51.9
82.36036	5.5
85.06559	6.4
87.96117	6.0
90.12316	6.0
90.96563	8.8
91.05478	34.1
93.07043	24.5
95.04961	7.8
95.08585	62.3
97.06496	10.4
97.10199	6.0
99.08036	8.9
105.07011	100.0
105.46092	6.0
106.07349	34.9
107.08615	8.2
109.06499	12.6
109.10191	9.0
119.08538	36.1
120.08921	6.4
121.10156	7.2
122.09604	37.2
123.11761	6.4
131.08588	6.7
133.10110	31.1
135.11661	9.0
137.13281	9.3
147.79797	6.3
161.13219	71.2
165.12782	14.8
166.13055	11.7
169.71942	5.9
179.14258	39.6
205.43697	6.6
275.61090	6.1
411.31165	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	412.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66706	0.8
52.04666	0.8
56.96278	1.9
56.96555	30.2
57.59710	1.2
59.69881	0.8
65.79723	0.9
70.06576	2.0
84.96013	8.0
85.02892	1.1
88.31547	1.0
98.97565	100.0
102.97055	1.1
105.71545	0.9
107.04907	1.1
109.02808	1.0
110.07166	1.3
110.97539	24.2
111.70612	0.8
112.99118	5.0
116.98598	50.7
123.04498	1.0
124.99080	1.2
126.97047	1.0
128.98587	29.5
131.00153	4.6
134.99637	15.7
140.98581	2.8
143.00156	6.4
144.98048	1.9
146.99626	18.6
147.00714	1.7
148.07545	2.2
149.01224	1.9
151.86523	1.0
152.98592	6.9
153.00645	1.0
158.99629	20.5
161.01201	7.6
162.99141	3.0
165.00664	1.7
170.99619	13.5
174.02295	1.7
176.10638	2.2
177.00687	19.7
179.02277	1.3
181.01736	1.7
186.09142	1.4
189.00687	6.3
190.01747	1.8
192.03287	3.8
195.01750	2.0
199.02829	1.0
201.00623	6.7
204.10217	1.7
207.01604	1.6
208.02785	6.6
210.04346	6.9
219.01723	58.1
219.93500	1.0
222.11270	3.8
226.03847	4.1
232.02769	17.8
232.09657	4.0
237.02768	95.8
238.03339	3.2
250.03874	10.6
250.10715	4.5
255.03897	6.0
260.04291	1.5
266.10233	1.4
268.05011	1.2
292.04993	1.2
304.04849	1.0
334.05997	2.8
352.06961	70.6
353.07227	3.2
370.08023	98.5
371.08298	3.6
393.09680	2.7
412.09024	15.0
412.15851	8.2
413.10477	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	28.9
58.25027	1.0
64.47839	0.9
69.49641	4.0
84.96030	9.6
93.78175	0.9
97.96843	1.3
98.23460	1.7
98.97571	64.5
99.04407	1.3
107.04943	1.1
110.97552	31.9
110.98283	1.8
112.99081	5.0
116.98610	23.2
125.01106	1.1
126.96986	1.4
128.98605	26.9
131.00148	4.1
134.72633	1.1
134.99670	3.7
140.98605	4.3
143.00166	6.9
144.98059	1.8
146.99644	11.7
147.00719	1.6
149.01183	1.0
151.00710	1.2
152.98599	4.4
158.99643	7.9
161.01221	8.1
162.99110	1.7
163.00658	1.7
165.00745	1.0
169.01804	2.0
170.99612	9.1
172.00694	1.4
177.00703	7.7
179.00139	1.6
179.02271	2.0
181.01677	4.3
187.02524	1.1
189.00665	5.6
190.01752	11.3
197.01221	1.5
199.02803	2.7
201.00679	6.3
208.02798	25.5
209.02992	1.1
219.01735	53.7
226.03839	16.1
236.06027	1.1
237.02788	86.0
244.04893	1.3
247.02888	1.3
250.03802	2.5
255.03719	5.0
268.04727	1.2
276.18967	0.9
286.03812	3.5
288.55023	1.0
292.04910	2.9
304.04761	1.6
307.04999	1.5
325.05789	5.9
334.05862	2.2
343.06863	1.2
352.06958	40.9
353.07266	2.4
370.08044	100.0
371.08411	4.2
393.09369	1.6
412.09018	21.9
413.09677	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08692	0.7
56.72263	0.8
56.96285	1.3
56.96560	22.7
70.68836	1.5
71.95243	0.9
84.96024	10.1
98.97571	61.2
102.97069	1.2
110.97558	27.9
112.99158	4.6
116.97770	1.1
116.98610	20.8
121.81853	0.8
124.99147	1.5
126.96999	1.0
128.98593	26.2
131.00154	5.4
134.99631	5.2
140.98587	2.5
143.00154	7.4
144.98079	2.9
146.99623	12.2
149.01205	2.3
152.98608	4.3
158.99631	9.3
161.01192	5.9
162.99202	1.7
163.00609	2.2
165.00708	1.3
169.01707	2.6
170.99611	10.3
177.00697	8.7
179.02304	2.2
181.01762	4.9
187.02852	1.6
189.00732	6.2
190.01743	9.6
195.01646	0.8
197.01242	1.7
199.02821	2.7
201.00613	5.1
208.02798	25.9
219.01741	52.2
226.03809	14.9
237.02788	90.0
238.03166	1.8
247.02715	2.3
247.05208	0.9
250.03809	1.2
255.03836	5.4
260.04355	1.2
262.03763	1.8
268.05002	1.3
280.05038	1.2
280.49493	1.0
286.03870	3.1
292.04745	1.2
304.04831	1.4
307.04736	1.1
325.05954	6.7
334.05835	2.2
343.06815	2.0
352.06989	42.3
353.07410	1.9
370.08051	100.0
371.08334	6.2
388.08832	1.0
393.09741	1.9
412.09061	22.9
413.09885	13.2
413.14450	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	412.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01863	0.5
64.04411	0.3
64.31338	0.3
67.05492	0.4
69.03423	0.3
70.01106	0.6
70.06579	0.3
71.04996	2.4
77.03916	0.4
78.04700	1.1
79.05485	9.0
80.06264	0.4
81.03403	0.6
81.07046	1.2
83.08588	0.3
85.02896	0.9
86.09692	0.3
87.62142	0.2
91.05475	2.6
93.06987	0.3
94.04213	0.3
95.04955	1.6
97.02896	0.6
99.04452	9.7
103.05453	1.0
105.03376	0.8
105.04513	0.4
106.04173	2.7
106.06544	11.3
107.04946	20.8
108.05231	0.4
109.02869	0.5
109.06501	2.0
115.05461	0.6
117.03386	0.4
117.05492	0.3
118.06541	0.6
119.04861	0.3
120.08095	0.3
122.05988	1.9
123.00783	0.3
123.04394	0.4
123.06799	1.6
124.07574	0.5
127.03887	0.4
128.04987	0.4
128.06195	0.4
129.07010	2.1
131.04909	1.0
133.02838	7.5
133.05206	1.0
134.03642	4.1
134.06006	10.2
135.04413	9.3
136.04774	0.3
137.05991	1.9
140.06133	0.4
141.06976	1.0
145.02826	0.4
145.06450	0.7
146.05992	4.8
147.04391	1.5
148.07573	0.6
149.05962	0.7
151.06268	12.0
152.07051	100.0
153.05478	0.4
153.07420	2.6
156.05753	0.4
157.06465	1.8
159.04419	0.6
164.06998	0.3
165.05437	2.0
168.05676	0.6
169.02805	0.4
169.06544	0.3
171.04420	0.8
173.05959	0.5
176.07019	0.5
177.05464	0.8
177.09190	0.3
183.04413	0.6
184.05171	0.6
184.07448	0.8
185.05927	1.3
187.03983	0.6
188.07077	0.4
189.05434	0.3
194.08139	3.7
197.02420	0.4
201.05508	0.6
201.07666	0.3
202.07751	0.6
203.05331	0.6
203.08583	0.3
205.10191	0.3
212.04620	0.3
213.05435	1.0
215.03439	2.4
215.08554	1.5
217.10112	0.4
218.07504	0.3
219.08014	0.4
224.09172	0.4
226.07800	0.6
227.08560	0.6
229.04884	0.9
229.07111	0.5
230.08018	0.5
231.08163	0.5
233.09569	0.4
243.08293	0.8
244.08965	0.3
245.09602	0.8
247.08083	1.1
251.08948	1.5
251.12479	0.4
255.08035	1.1
261.09006	1.4
271.07458	2.6
273.09079	1.2
275.06900	0.4
278.10391	0.6
289.08514	2.5
291.10181	0.3
296.11194	0.4
299.06989	2.1
303.10095	0.6
307.09552	0.5
316.09595	0.5
317.07999	2.3
331.09497	0.6
335.09021	0.5
349.10492	0.6
394.14969	3.1
411.19711	0.5
412.14859	10.3
412.20325	7.2
413.17242	0.7
413.21384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
53.03931	0.3
54.49017	0.2
55.01868	0.2
55.05489	0.4
60.04504	0.1
67.05484	0.2
69.03418	0.6
70.02946	0.3
71.04700	0.2
71.04994	2.1
77.03906	0.4
78.04695	0.5
79.05487	8.0
80.06252	0.2
81.03428	0.9
81.07044	1.0
82.06541	0.2
83.08627	0.3
85.02892	1.2
91.05475	1.9
94.06596	0.2
95.04963	1.6
97.02897	0.7
99.04448	9.1
103.05459	0.6
105.03382	0.6
105.04493	0.5
105.07025	0.3
106.04179	1.5
106.06541	10.8
107.04942	20.0
108.05221	0.4
109.02903	0.4
109.06509	1.9
110.06055	0.2
115.03922	0.3
115.05458	0.4
118.06524	0.5
119.04922	0.2
120.08078	0.3
121.06496	0.3
122.06014	1.0
123.04414	0.4
123.06827	0.9
124.07571	0.6
127.03906	0.4
128.04956	0.2
128.06177	0.4
129.06982	1.0
131.04877	0.6
133.01883	0.4
133.02837	4.2
133.05190	0.7
134.03641	2.3
134.06001	9.1
135.04401	9.9
136.04704	0.2
137.05988	1.1
141.06978	0.5
146.05988	3.3
146.07124	0.3
147.04391	0.4
148.07513	0.3
149.05939	0.3
151.03883	0.3
151.06279	6.6
151.07497	0.4
152.07048	100.0
153.05424	0.5
153.07413	2.5
155.04849	0.3
156.05719	0.2
157.06448	0.9
159.04411	0.4
164.07040	0.3
165.05464	1.1
168.05667	0.4
169.02832	0.3
169.06416	0.3
171.04399	0.5
173.05867	0.4
176.07066	0.7
183.04358	0.3
184.05154	0.4
184.07587	0.3
185.05971	0.5
187.03874	0.5
194.08102	3.9
197.02295	0.5
201.05472	0.4
202.07759	0.4
203.08617	0.2
213.05426	0.4
215.03343	1.5
215.08534	0.6
217.10056	0.3
219.07928	0.2
224.09148	0.3
226.07771	0.3
227.08664	0.3
229.04933	0.5
229.07231	0.3
231.08022	0.6
233.09637	0.4
236.09079	0.2
243.08215	0.7
244.08788	0.3
245.09596	0.5
247.08145	0.4
255.08063	0.3
261.09167	0.5
271.07486	1.4
272.07965	0.2
273.09088	0.5
278.10196	0.2
288.10452	0.2
289.08496	1.3
296.11227	0.4
299.06946	1.1
317.08017	1.6
327.06317	0.3
345.09860	0.4
347.30673	0.2
349.10495	0.2
376.13864	0.3
394.14966	3.4
394.81308	0.2
395.15399	0.2
411.19907	0.5
412.15317	9.4
412.20355	5.3
413.16824	0.7
413.21341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.3
53.03955	0.3
54.65978	0.2
55.01859	0.3
58.02962	0.2
65.03918	0.2
66.76411	0.2
69.03417	0.5
69.27766	0.4
69.28178	0.9
69.56837	0.2
70.02920	0.3
71.04980	2.3
73.02917	0.4
77.03925	0.7
78.04698	0.4
79.05478	8.0
81.03405	0.5
81.07039	1.0
82.06569	0.3
83.08584	0.4
84.08174	0.2
85.02891	0.8
91.05465	1.9
94.78156	0.2
95.04962	1.3
97.02871	0.6
98.23467	0.4
99.04440	8.9
105.03380	0.4
105.04487	0.5
106.04179	1.2
106.05804	0.4
106.06539	11.3
107.04937	21.4
109.02876	0.3
109.06510	2.0
110.94027	0.2
115.05533	0.3
118.06514	0.5
119.04961	0.3
120.08094	0.4
121.02844	0.3
122.06001	0.9
123.04375	0.3
123.06776	0.8
124.07565	0.9
127.03917	0.7
128.06160	0.4
129.06982	1.1
131.04893	0.6
133.02837	3.5
133.05197	0.6
134.03650	2.6
134.05995	9.1
135.04396	10.5
137.05942	1.0
141.06961	0.5
141.20502	0.2
145.02847	0.2
145.06387	0.4
146.05977	2.7
147.04422	0.7
151.06258	6.4
152.07042	100.0
153.05458	0.5
153.07405	2.9
155.04924	0.2
157.06432	1.1
159.04352	0.4
164.07039	0.4
165.05429	1.2
168.05591	0.5
168.08032	0.3
169.02776	0.3
173.06033	0.3
176.07013	0.5
177.05432	0.3
183.04362	0.3
184.05014	0.3
184.07501	0.4
185.05960	0.7
194.08104	3.3
197.02235	0.3
201.05502	0.3
202.07747	0.3
213.05408	0.6
215.03360	1.2
215.08607	0.7
226.07707	0.2
229.04956	0.5
230.07907	0.3
243.08116	0.7
245.09630	0.7
247.07837	0.5
255.08000	0.3
261.09033	0.7
271.07431	1.5
273.09030	0.4
278.10086	0.3
289.08456	1.3
296.10898	0.4
299.06897	0.8
317.08020	1.2
331.09692	0.2
349.10678	0.3
376.13983	0.3
394.14954	3.6
411.33130	0.3
412.15451	10.5
412.20505	1.7
413.16785	0.9
413.21597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81084	0.7
55.05505	9.9
57.05816	0.9
70.56299	1.1
72.08147	100.0
73.08458	1.3
73.20184	0.6
83.06391	0.7
84.96088	0.7
97.02888	1.1
97.77886	0.7
98.97588	1.8
116.98618	1.0
118.08637	67.3
133.04944	1.4
134.02701	1.0
157.01447	0.8
158.99693	0.9
159.09413	0.8
196.95265	1.6
219.01761	0.9
246.34338	0.7
255.03848	0.8
284.56671	0.7
317.07346	1.0
413.10565	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	412.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42668	2.3
55.01863	15.0
55.05498	10.0
57.03434	29.7
59.04990	4.5
59.31139	2.2
61.02919	18.9
69.03418	48.6
69.28409	2.1
69.34985	12.3
70.06592	2.5
71.01344	8.2
71.04975	4.8
73.02909	90.6
73.06535	8.0
81.03422	11.6
83.04971	68.5
85.02894	100.0
86.09672	5.2
87.04459	3.7
89.49744	2.8
91.03954	3.5
91.12409	2.3
97.02879	87.2
97.03483	5.5
98.23408	5.0
99.04436	7.8
101.02354	3.7
101.06007	64.4
103.03925	4.3
107.04919	2.7
109.02861	10.0
115.03920	50.4
119.07063	10.0
120.33349	2.6
127.03902	41.8
133.04955	59.5
134.06055	3.1
136.03917	6.8
136.06163	4.6
137.02361	2.6
137.91280	2.2
145.02945	3.6
145.04950	43.3
147.04373	5.1
150.07503	2.8
163.03973	2.5
163.05983	17.9
174.33582	2.5
177.05418	5.0
197.08069	7.9
215.09152	18.8
223.05997	6.2
226.41075	2.7
233.10277	2.7
241.07072	6.6
245.10219	7.1
259.08215	7.5
263.11282	4.1
273.16919	3.0
397.13693	2.6
398.06662	2.9
413.08292	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	412.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42668	2.3
55.01863	15.0
55.05498	10.0
57.03434	29.7
59.04990	4.5
59.31139	2.2
61.02919	18.9
69.03418	48.6
69.28409	2.1
69.34985	12.3
70.06592	2.5
71.01344	8.2
71.04975	4.8
73.02909	90.6
73.06535	8.0
81.03422	11.6
83.04971	68.5
85.02894	100.0
86.09672	5.2
87.04459	3.7
89.49744	2.8
91.03954	3.5
91.12409	2.3
97.02879	87.2
97.03483	5.5
98.23408	5.0
99.04436	7.8
101.02354	3.7
101.06007	64.4
103.03925	4.3
107.04919	2.7
109.02861	10.0
115.03920	50.4
119.07063	10.0
120.33349	2.6
127.03902	41.8
133.04955	59.5
134.06055	3.1
136.03917	6.8
136.06163	4.6
137.02361	2.6
137.91280	2.2
145.02945	3.6
145.04950	43.3
147.04373	5.1
150.07503	2.8
163.03973	2.5
163.05983	17.9
174.33582	2.5
177.05418	5.0
197.08069	7.9
215.09152	18.8
223.05997	6.2
226.41075	2.7
233.10277	2.7
241.07072	6.6
245.10219	7.1
259.08215	7.5
263.11282	4.1
273.16919	3.0
397.13693	2.6
398.06662	2.9
413.08292	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	412.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.01846	1.5
56.49796	0.7
57.03429	1.4
61.02905	1.0
67.05492	0.9
68.99770	1.5
69.03406	3.2
69.07058	22.9
69.62000	3.3
71.04916	0.9
73.02900	1.2
79.05470	1.0
81.03399	1.6
81.07038	2.4
83.04942	1.1
85.02886	12.4
87.04433	1.3
91.05457	2.8
93.07027	3.2
95.04956	1.2
97.02859	3.3
103.05451	6.1
105.07015	2.9
107.04953	1.9
109.02859	0.9
109.06496	1.1
114.45750	0.7
119.04887	0.8
121.06474	3.4
121.21120	0.7
127.03907	1.9
131.04895	12.2
133.06429	1.1
135.04362	1.5
137.05927	1.2
141.06927	1.0
143.04967	0.9
145.04962	3.7
145.06432	1.7
145.10071	0.8
147.04381	11.7
149.05948	4.5
157.06421	5.6
159.04393	28.2
160.04715	1.5
165.05434	3.4
169.06429	1.1
171.04353	1.6
171.07948	1.1
173.05986	4.6
173.09552	1.3
177.05441	100.0
178.05771	2.6
179.08504	4.0
180.08691	1.4
182.07222	1.2
183.04471	0.9
191.07027	1.1
191.10606	1.7
197.05946	2.1
197.09576	9.8
215.07079	2.6
215.10635	68.8
216.11000	4.5
221.09424	0.9
227.10641	3.2
233.11685	33.8
234.12129	1.5
239.10576	1.1
243.10100	1.1
265.96146	0.8
365.09601	0.8
412.19690	1.1
413.15671	2.4
413.20181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01866	8.4
55.05502	2.2
57.03429	16.2
57.77406	1.0
59.04997	2.4
59.88591	1.0
61.02921	14.3
69.03419	34.7
69.03796	1.9
69.31987	2.3
69.32394	4.4
71.01347	3.5
71.04992	6.4
73.02905	78.9
73.46091	1.1
74.93655	1.3
81.03397	6.0
83.08607	3.6
85.02889	100.0
87.04470	5.9
91.03954	4.1
91.05433	1.1
95.04937	1.2
95.08620	1.2
96.04472	1.1
97.02879	49.5
99.04449	5.1
103.03936	3.2
105.07059	1.1
109.02840	5.7
111.08049	3.1
115.03909	27.6
125.17342	1.1
127.03894	30.6
129.09094	1.8
133.02858	1.2
133.04945	33.4
133.05905	2.0
139.07555	2.0
141.09103	3.1
145.04936	42.5
146.05179	1.1
150.07600	3.0
163.05988	16.3
179.10542	1.5
193.05003	1.9
197.11748	1.7
199.45860	1.1
209.11732	1.9
215.12776	3.0
217.07022	2.3
223.06024	4.6
238.39810	1.1
241.07036	6.9
245.13872	3.2
259.08112	5.9
263.15048	3.1
277.09143	1.8
280.72556	1.3
295.10043	1.7
412.20175	27.9
413.17596	3.6
413.22073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.5
57.03443	16.6
61.02915	12.4
69.03423	33.1
70.37498	6.2
73.02913	62.7
80.86830	2.5
81.03414	4.4
83.04968	2.8
83.39515	2.5
85.02901	100.0
87.04445	3.7
91.03973	5.5
97.02882	52.5
98.23347	3.0
99.04467	5.1
109.02834	7.9
115.03915	25.2
127.03905	30.1
132.75612	2.9
133.04942	32.8
145.04974	48.8
145.97005	2.6
163.06027	26.7
213.62949	2.8
223.06090	4.1
235.98805	2.7
241.06924	5.0
259.08087	5.9
263.14877	4.8
318.23138	3.5
384.17758	3.2
412.20123	55.5
413.21600	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	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.5
57.03443	16.6
61.02915	12.4
69.03423	33.1
70.37498	6.2
73.02913	62.7
80.86830	2.5
81.03414	4.4
83.04968	2.8
83.39515	2.5
85.02901	100.0
87.04445	3.7
91.03973	5.5
97.02882	52.5
98.23347	3.0
99.04467	5.1
109.02834	7.9
115.03915	25.2
127.03905	30.1
132.75612	2.9
133.04942	32.8
145.04974	48.8
145.97005	2.6
163.06027	26.7
213.62949	2.8
223.06090	4.1
235.98805	2.7
241.06924	5.0
259.08087	5.9
263.14877	4.8
318.23138	3.5
384.17758	3.2
412.20123	55.5
413.21600	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.2
55.05506	3.9
57.03431	16.1
59.04996	2.7
60.09981	1.0
61.02921	16.8
69.03421	38.5
70.91465	1.5
71.01349	3.6
71.04981	6.7
72.32303	1.3
73.02910	86.9
73.67916	1.1
79.05485	2.4
81.03400	6.8
81.07043	1.4
83.08610	4.3
85.02895	100.0
87.04480	5.2
91.03938	5.3
91.05453	1.5
93.07041	1.4
95.04971	1.9
97.02882	57.9
99.04437	6.0
103.03946	3.5
107.04952	1.1
107.08588	1.6
109.02859	8.5
111.08098	1.8
113.09605	1.4
115.03919	28.5
116.04363	1.1
127.03903	30.5
129.09073	1.9
133.02797	1.9
133.04951	39.3
133.05908	2.3
135.07924	1.2
137.09706	1.6
139.07532	3.9
141.09106	1.9
145.04942	50.3
150.07652	1.6
151.06273	2.9
151.07486	1.1
157.04967	1.3
163.06004	21.8
164.07103	1.6
167.10703	1.3
177.31366	1.0
179.10634	1.3
193.04955	1.8
196.60674	1.1
197.11665	1.5
199.06020	1.7
209.11595	1.6
211.06056	1.3
215.12801	1.8
223.05988	6.3
227.12701	1.7
241.07100	4.4
245.13966	2.1
259.08148	8.4
263.14902	3.4
277.09122	2.3
295.10333	1.5
412.20200	49.0
413.21017	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.9
55.57795	2.1
57.03440	5.4
59.04999	2.4
61.02920	7.8
61.94328	2.0
64.47157	1.9
65.33715	2.2
69.03419	17.3
70.06577	2.4
73.02905	36.6
79.25251	1.8
81.03422	2.3
85.02892	51.2
95.08644	2.5
97.02882	27.8
104.39530	2.5
109.02863	3.7
115.03896	15.5
127.03880	13.9
133.04926	22.4
136.06186	4.4
143.26604	2.5
144.29863	2.1
145.04927	25.3
146.76772	2.1
163.05995	16.7
203.05179	2.3
204.52167	2.7
241.07141	3.9
259.08289	4.6
263.14828	2.4
270.74753	1.9
293.15805	2.1
405.02869	2.7
412.20023	83.6
413.10318	3.9
413.11942	4.0
413.21671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01866	8.4
55.05502	2.2
57.03429	16.2
57.77406	1.0
59.04997	2.4
59.88591	1.0
61.02921	14.3
69.03419	34.7
69.03796	1.9
69.31987	2.3
69.32394	4.4
71.01347	3.5
71.04992	6.4
73.02905	78.9
73.46091	1.1
74.93655	1.3
81.03397	6.0
83.08607	3.6
85.02889	100.0
87.04470	5.9
91.03954	4.1
91.05433	1.1
95.04937	1.2
95.08620	1.2
96.04472	1.1
97.02879	49.5
99.04449	5.1
103.03936	3.2
105.07059	1.1
109.02840	5.7
111.08049	3.1
115.03909	27.6
125.17342	1.1
127.03894	30.6
129.09094	1.8
133.02858	1.2
133.04945	33.4
133.05905	2.0
139.07555	2.0
141.09103	3.1
145.04936	42.5
146.05179	1.1
150.07600	3.0
163.05988	16.3
179.10542	1.5
193.05003	1.9
197.11748	1.7
199.45860	1.1
209.11732	1.9
215.12776	3.0
217.07022	2.3
223.06024	4.6
238.39810	1.1
241.07036	6.9
245.13872	3.2
259.08112	5.9
263.15048	3.1
277.09143	1.8
280.72556	1.3
295.10043	1.7
412.20175	27.9
413.17596	3.6
413.22073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2229
Annotation	Val Phe Phe
Peak:m/z	Relative Intensity
53.03949	0.4
54.53052	0.3
55.05505	5.1
56.05016	0.4
57.05801	0.4
67.05524	0.5
69.03442	0.3
69.09114	1.3
69.09543	1.0
70.06590	0.8
72.08143	46.9
73.08473	0.7
79.05476	0.5
84.04487	0.5
85.02893	0.4
91.05482	0.9
93.07038	1.4
95.04962	0.7
97.02901	0.4
103.05457	2.8
105.07002	0.5
107.04948	0.3
112.05030	0.4
120.08083	100.0
121.08423	2.6
121.30742	0.3
124.07527	0.5
124.30729	0.3
131.08566	0.5
135.08064	0.4
166.08621	3.6
175.61050	0.3
190.00783	0.3
192.31828	0.3
219.14885	32.2
220.15244	1.3
227.27435	0.4
247.14374	10.1
248.14627	0.6
277.02353	0.3
313.15372	6.8
324.22552	0.3
383.20346	0.9
412.15536	0.4
412.20303	4.4
413.10309	0.7
413.21469	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	412.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77350	3.9
50.84069	4.1
55.05510	34.3
57.07064	6.4
60.02359	4.9
67.05478	9.4
69.07063	11.5
70.18020	8.9
71.01878	4.5
71.04981	19.8
73.17188	4.3
79.05471	7.5
80.37648	4.8
81.07044	17.5
83.08612	38.0
91.05464	7.1
93.07059	8.3
95.08597	29.8
99.04437	100.0
105.07018	10.3
107.08585	7.5
109.10165	9.3
117.05497	10.5
119.08558	9.2
124.52786	4.6
126.50067	4.3
133.10075	8.0
161.13225	22.3
179.14304	31.0
197.15335	9.3
287.28036	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	413.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44572	8.1
56.96547	17.5
58.81950	6.9
66.26962	6.7
67.03042	7.6
72.08137	24.4
85.02885	11.0
89.75272	7.6
91.55724	8.1
96.73222	7.0
97.99731	7.0
98.00408	7.2
98.97572	36.4
110.97562	15.7
116.98613	13.2
118.08645	19.0
121.06512	43.0
132.12988	7.0
136.94008	35.5
138.09117	12.0
154.94055	8.1
160.72157	7.6
161.02873	11.9
170.99693	8.1
181.04901	10.2
190.96175	9.0
196.95227	100.0
214.96333	39.3
219.01740	27.0
232.90096	8.7
237.02774	38.4
251.04597	13.2
256.97424	11.5
315.04684	75.9
317.06985	16.0
333.05023	9.5
352.94495	13.2
360.10501	8.7
391.20013	8.2
413.01807	18.2
413.09879	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74716	0.8
56.96547	1.1
65.45397	0.8
68.73988	0.9
70.06604	1.3
72.08147	1.0
85.02926	1.1
86.09689	0.9
97.02923	1.3
98.97603	2.4
99.04452	1.1
116.84530	0.8
116.98584	1.1
136.06212	1.2
147.09132	5.3
162.04153	2.3
181.14288	0.8
219.01881	1.3
226.64789	0.9
237.02873	2.0
264.99466	0.9
279.13611	1.0
281.15030	1.1
306.15213	0.8
385.11084	2.7
413.10376	100.0
413.19470	7.8
414.10760	6.6
414.15253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	5.9
61.76785	3.6
72.72313	3.0
73.26317	3.2
73.85903	2.8
76.50021	3.2
91.71725	3.7
91.92639	3.5
98.97585	12.1
110.97561	4.5
128.98593	5.2
145.54990	3.4
147.09174	4.9
147.24272	3.1
174.62396	3.1
219.01765	4.5
235.44530	3.5
237.02863	9.3
250.08156	3.6
251.08763	5.8
326.05771	3.7
331.25104	3.2
353.07532	4.9
371.08478	14.1
413.08414	64.9
413.14102	100.0
413.19110	9.0
414.09161	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	413.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
100.03880	0.3
123.52551	0.3
246.66652	0.4
255.07045	0.4
261.94113	0.4
299.07440	0.5
339.17099	0.4
395.80298	0.4
413.10492	100.0
414.10773	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	413.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89632	0.4
70.24538	0.7
72.08133	0.8
72.46757	0.3
82.19975	0.3
85.02919	0.4
94.93025	0.4
98.22740	0.7
98.97559	1.0
116.33253	0.4
118.08645	0.5
132.54352	0.4
134.04440	0.4
238.72702	0.3
401.47690	0.4
413.10477	100.0
414.10864	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1203
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
61.50996	1.0
62.99674	0.8
69.03401	1.2
69.24637	2.2
69.25028	2.2
79.05462	1.2
81.03406	1.2
84.77995	0.9
85.02910	1.6
86.09650	1.7
99.04419	1.1
105.06961	1.1
107.08578	2.0
109.02859	1.6
122.84213	0.9
131.08669	1.2
137.05980	1.8
145.02837	2.2
155.06007	1.0
177.05486	2.7
193.88811	0.9
203.05275	1.2
233.15109	1.3
241.04710	1.1
251.09106	1.3
251.12532	2.9
264.65045	0.9
295.76593	0.9
380.49240	0.9
413.12070	100.0
413.21210	38.6
414.12369	9.1
414.21561	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	8.2
57.05508	0.6
64.19318	0.5
69.07024	0.7
70.14094	1.2
81.07037	0.6
83.04607	0.5
95.08605	0.7
98.97569	15.4
100.39109	0.5
107.08566	1.0
109.64268	0.4
116.98608	13.7
134.99643	7.8
140.00218	1.0
151.00667	3.6
153.00668	0.8
158.01245	0.6
169.01727	3.7
174.96991	2.3
187.02834	1.0
191.00156	0.7
192.98079	13.5
201.47076	0.6
205.01839	0.5
205.04852	0.5
209.01141	1.3
210.99103	18.4
218.99660	3.0
221.01248	0.9
228.98096	3.2
229.00031	2.7
234.99081	0.6
237.00681	11.1
237.10167	0.6
238.01122	0.5
246.99135	7.9
253.00090	1.5
255.01656	3.0
260.02316	0.6
263.99301	0.8
265.00162	100.0
266.00623	3.7
267.00949	0.5
270.00668	0.6
273.04166	0.6
283.01224	46.4
284.01575	2.0
288.01770	6.0
289.00003	2.9
306.02756	1.4
307.01199	26.3
308.01581	1.1
325.02258	10.4
330.02744	1.8
353.10645	0.8
371.11646	7.4
389.12595	2.6
412.27560	0.8
412.33878	3.1
413.12674	56.7
413.28561	7.1
413.34271	1.4
414.12817	4.0
431.13596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36019	0.5
71.08781	0.7
81.86435	0.4
84.44330	0.4
85.02905	0.4
95.01088	0.9
112.01320	0.5
113.02108	1.4
136.06190	1.1
145.02824	0.5
145.45595	0.4
149.36299	0.4
162.04109	0.5
176.04480	0.8
177.05479	0.7
185.04231	1.6
201.03700	0.8
204.80070	0.4
233.04277	0.5
251.08974	1.3
259.07941	0.8
279.12787	0.4
349.18692	0.5
413.09372	5.0
413.14160	100.0
414.14499	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	413.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89006	0.5
66.71218	0.5
68.36536	0.5
71.08948	0.5
95.01086	0.5
113.02129	1.3
134.11897	0.6
136.06178	1.0
147.09137	0.8
162.04063	0.8
176.04359	0.6
177.05467	1.0
185.04172	1.8
189.05247	1.1
230.07735	0.6
250.08148	1.4
251.08907	3.4
281.74213	0.6
329.39505	0.5
353.07309	0.5
413.08936	8.3
413.14142	100.0
414.09357	1.1
414.14487	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	413.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06068	0.8
81.07018	0.9
83.14135	0.7
83.31848	0.7
88.94199	0.7
94.91747	0.6
101.88972	0.7
109.10149	2.5
137.05959	1.1
152.34268	0.7
214.02313	0.8
260.02985	2.0
261.03610	1.2
271.05994	2.4
273.03754	2.5
336.13309	5.9
353.13425	4.9
381.13211	0.8
385.16254	6.2
395.14536	6.1
413.15695	100.0
414.16199	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	413.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21513	1.4
67.05529	1.8
67.62898	1.4
70.06598	2.4
70.19320	3.4
79.05490	2.9
81.07075	2.0
91.05452	2.5
95.04958	2.6
95.08570	2.2
100.11230	2.4
103.05445	1.9
105.03396	2.7
105.07026	2.5
109.06522	1.9
109.10134	2.2
123.04430	1.9
128.33232	1.6
129.07027	2.2
131.04927	3.2
133.02814	9.5
137.05989	2.5
140.67152	1.6
145.06430	1.8
157.06523	2.0
163.07515	2.5
165.05518	2.0
168.10217	1.7
183.04477	3.3
184.05211	2.6
201.05447	3.3
206.53207	1.9
210.14896	1.6
229.05025	2.3
289.08621	4.4
291.38629	1.6
299.07358	2.6
317.08176	3.4
339.12350	3.2
383.14697	5.5
395.14890	2.0
413.11282	4.4
413.15778	100.0
413.20996	6.3
414.16125	5.6
414.26541	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94275	0.4
51.37176	0.3
56.41225	0.4
69.95557	0.3
70.73171	0.5
76.84223	0.3
79.05508	0.5
81.07053	0.7
91.05458	0.5
93.07031	0.6
95.08601	0.5
101.51231	0.4
101.72304	0.3
105.07021	0.9
107.08595	0.5
121.06490	0.4
125.71760	0.4
131.08629	0.4
135.08005	0.5
137.05983	0.6
157.15747	0.4
161.06032	0.4
161.09622	0.5
163.07556	1.1
187.03618	0.7
187.07549	0.4
191.06889	0.5
202.05978	14.0
203.06734	1.1
230.10020	0.4
233.07999	0.5
240.00127	0.5
351.24808	0.5
381.12820	0.5
383.10635	0.4
413.15683	100.0
414.16071	6.5
430.12216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91409	0.6
56.96556	16.1
69.43165	2.6
70.62222	0.6
74.57259	0.6
84.95980	0.9
93.32609	0.7
98.97559	6.2
99.04414	0.7
106.04155	0.8
110.97523	1.4
112.07568	2.3
116.98592	3.1
122.55991	0.6
123.06779	1.0
125.02327	0.6
128.98541	1.4
129.02219	6.0
134.03589	1.7
134.99686	1.1
145.01712	0.9
146.99602	0.8
147.03284	6.2
151.06279	4.6
155.00114	4.5
156.03320	14.1
158.99651	1.6
163.03946	0.7
165.04283	0.9
168.03290	8.6
170.99614	0.8
173.01205	26.4
174.04364	13.1
177.00606	1.0
186.04359	31.7
189.03838	0.8
191.02242	22.7
192.05386	2.2
204.05421	23.6
209.03325	0.9
219.01768	1.9
222.06584	0.7
230.99985	0.9
237.02759	1.8
246.97984	0.8
266.07025	1.7
284.08011	100.0
285.08310	2.9
302.09198	4.5
311.02747	1.1
313.04230	1.2
329.03839	1.2
331.04306	1.9
332.09378	0.7
353.07700	1.2
389.67795	0.6
413.10443	58.3
414.10489	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	413.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.6
56.05034	2.4
67.05500	4.0
69.07079	0.9
71.04979	0.6
79.05479	3.8
81.03409	0.6
81.07042	5.6
81.61637	0.5
83.06092	12.4
83.08618	1.8
84.04489	39.2
85.02862	0.8
85.06549	0.6
91.05478	3.4
93.07034	5.3
95.04932	0.6
95.08592	3.5
97.06577	0.5
97.10152	0.6
99.08102	1.2
101.07114	5.6
102.05520	4.1
105.07014	2.9
107.08579	2.8
109.06512	0.7
109.10120	1.3
111.08073	0.8
119.08566	2.2
121.10130	6.4
123.08070	1.2
129.06577	14.6
130.04984	25.5
131.08521	1.0
133.10104	3.0
135.11687	1.9
137.09567	2.8
145.10123	1.3
147.07619	10.6
147.11656	1.4
149.09598	1.0
151.11160	1.7
153.09053	1.5
157.10092	1.0
161.09615	0.8
167.10570	0.6
185.04189	6.3
196.13260	0.5
203.18028	0.9
213.16304	1.9
231.17447	2.2
249.18448	12.1
251.12505	100.0
252.12875	4.7
266.21103	11.4
266.23846	0.4
267.19421	0.9
284.22147	2.8
293.09894	0.8
332.21988	0.6
349.24417	0.7
350.23184	0.7
359.22919	1.0
375.63959	0.6
377.24295	7.6
387.63599	0.5
395.25189	1.3
396.23593	0.7
413.10675	3.2
413.17630	59.3
414.18143	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	413.1928
Annotation	Ala Trp His
Peak:m/z	Relative Intensity
62.52323	0.5
69.07045	0.9
69.60728	1.8
79.05486	0.7
81.07047	0.9
93.07015	1.3
95.08587	0.9
97.06490	0.8
98.23450	1.2
105.07047	0.9
106.50246	0.5
109.10152	0.6
121.10098	0.7
123.04440	0.6
171.55124	0.5
214.78763	0.6
255.09740	1.1
331.08209	2.9
381.96750	0.5
398.16888	0.7
413.19254	100.0
414.19617	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	413.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05506	20.9
57.03423	2.7
69.03410	6.7
70.06579	3.7
72.08177	4.9
73.02900	3.2
76.25285	1.8
77.04771	1.8
81.03436	3.0
83.08607	40.9
85.02895	8.6
85.10121	2.1
97.02884	5.8
97.82368	1.8
98.52405	2.2
101.09635	32.2
117.03322	4.3
119.09964	2.0
119.10660	12.7
120.06544	3.2
133.04959	3.5
136.06155	29.9
145.02824	7.8
153.70181	2.5
162.04092	19.7
177.05457	12.4
199.85852	2.4
219.06573	2.5
251.09111	6.8
281.09836	11.1
287.94165	2.1
413.08383	100.0
413.13562	4.7
413.18729	7.1
414.08862	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	413.2145
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.51270	0.4
57.69119	0.4
61.83844	0.3
69.03429	0.9
69.94498	0.3
70.06589	0.5
70.68718	0.5
70.69054	0.6
79.05496	0.5
81.07047	0.6
83.04983	0.5
85.02890	0.6
86.09698	1.2
93.07040	0.4
97.02895	0.4
98.23350	0.5
105.07027	0.7
107.08578	0.7
109.10131	0.6
111.29402	0.4
116.07072	0.4
145.10091	0.5
148.85039	0.4
176.36574	0.4
217.65265	0.4
233.15276	0.4
251.16583	0.5
413.21417	100.0
414.21762	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	413.2142
Annotation	Lys Glu His
Peak:m/z	Relative Intensity
59.67700	0.4
70.06573	1.3
71.41976	0.4
72.08154	0.5
73.02895	0.4
86.09685	0.9
91.05489	0.5
110.81218	0.3
111.69058	0.3
115.03873	0.4
116.07088	0.3
117.03327	0.6
122.18499	0.4
145.02809	0.4
170.16963	0.4
177.05409	1.3
185.05870	0.5
203.05235	0.7
251.09019	0.9
251.12399	0.3
251.16321	0.5
286.39786	0.4
372.50671	0.4
381.10437	1.0
413.21695	100.0
414.22086	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	413.2144
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
52.22228	0.3
69.03413	0.9
69.07066	0.4
72.08174	0.4
79.05478	0.6
81.03444	0.4
81.07028	1.0
83.04974	0.7
85.02898	0.9
86.09695	0.6
91.05444	0.6
93.06991	0.5
94.09026	0.3
95.04986	0.4
95.08614	0.6
97.02880	0.3
97.06530	0.5
105.07002	0.5
107.08591	0.9
107.56527	0.3
109.02869	0.5
109.06539	0.4
109.10143	0.9
119.08594	0.4
121.10166	0.5
127.03891	0.4
131.04938	0.3
135.08043	0.5
161.09656	0.3
161.60179	0.3
177.05482	0.3
200.85216	0.3
203.05237	1.8
215.34787	0.3
233.15314	0.7
251.88034	0.4
369.11292	0.4
413.21414	100.0
414.21777	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	413.2142
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
50.87767	0.5
55.01858	0.7
55.05505	0.7
57.03440	0.6
61.68883	0.4
67.05492	1.4
69.03416	1.4
69.19211	2.1
70.06580	1.0
71.04989	0.7
71.10195	0.4
71.48899	0.4
72.08134	0.6
79.05511	0.6
81.03410	0.7
81.07049	2.2
83.04977	1.1
84.04500	0.5
85.02889	1.7
85.06535	0.7
91.05482	1.5
93.07038	1.2
94.82764	0.5
95.04977	0.9
95.08633	1.2
97.02856	1.1
97.06522	1.2
105.07013	1.6
107.04915	0.6
107.08586	1.4
109.02881	1.4
109.06487	0.6
109.10175	0.8
111.04411	0.6
119.08573	1.1
121.06535	0.7
121.10165	0.5
127.03922	0.5
130.04979	0.6
131.08569	0.6
133.10091	1.0
136.07553	0.9
137.05920	0.7
137.09595	1.2
145.10147	0.8
149.04756	0.9
149.09619	0.8
159.11786	0.6
161.09589	0.8
164.07098	0.6
165.09138	0.5
173.13351	0.5
185.04393	0.5
203.05301	1.3
216.80507	0.4
231.08110	0.7
232.08435	1.1
233.15326	1.2
242.95129	0.5
245.09502	0.7
246.09976	0.5
251.12624	0.5
251.16292	1.1
269.06424	0.6
299.05487	0.5
369.11838	0.8
413.21463	100.0
414.21817	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	413.2271
Annotation	Thr His Arg
Peak:m/z	Relative Intensity
62.98252	6.9
67.05489	1.3
69.07068	0.7
81.07050	3.0
95.08588	1.5
105.06989	1.4
107.08601	1.6
119.08604	0.9
121.10102	1.3
132.98721	2.2
147.11728	1.1
161.13171	0.8
325.21063	14.2
339.22632	1.3
413.22678	100.0
414.22998	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	413.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62625	56.2
61.72713	61.6
66.91106	58.1
67.05496	63.8
71.42680	100.0
71.50965	58.8
71.61748	53.2
85.30478	59.2
90.50061	56.3
129.57631	66.1
157.22081	67.9
185.17349	65.7
357.23004	78.2
390.81989	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.7
69.07074	1.3
69.28339	6.6
79.16094	1.0
81.07050	2.3
93.07037	1.8
95.08598	2.2
96.65144	1.2
105.07047	1.2
107.08643	1.2
157.10156	1.4
173.98051	1.1
205.04958	3.7
367.61075	1.1
413.28683	100.0
414.29181	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	413.3046
Annotation	Sargachromanol C
Peak:m/z	Relative Intensity
55.05503	14.6
57.07060	2.5
67.05502	7.5
67.45529	1.6
69.03422	2.5
69.07059	100.0
70.07389	1.5
73.40654	1.5
73.41089	1.5
75.17245	1.7
79.05484	5.6
81.07050	22.6
81.23601	1.7
83.04982	3.8
83.08600	2.7
91.05471	5.1
93.07035	12.9
95.08592	13.0
97.06531	7.2
97.10147	3.6
105.06982	8.8
107.08575	6.8
109.06528	4.8
109.10139	6.3
111.11700	28.9
117.07014	2.5
119.08558	5.9
121.10119	13.6
123.11707	4.7
125.06001	2.1
131.08620	4.1
133.10138	6.2
135.08022	3.1
135.11662	3.7
137.05954	22.9
139.11163	30.5
145.10115	2.9
147.11696	4.0
149.09619	3.4
151.07491	1.9
151.11211	2.2
157.10135	2.2
159.11690	4.4
161.09634	4.0
169.10017	2.1
173.13290	1.7
179.07050	2.5
179.10596	2.3
189.16357	2.1
205.04967	4.5
211.14815	3.9
229.15738	2.8
239.14270	1.9
245.68248	1.6
257.15378	7.1
257.19016	9.4
259.04993	1.8
271.16788	1.9
273.18378	1.9
275.16537	3.5
383.28094	1.8
395.29163	5.0
413.30389	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	414.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18005	0.4
51.02370	0.4
53.13711	0.4
55.01831	0.6
56.96552	1.7
69.03429	0.6
69.39063	1.8
70.06561	0.5
73.52177	0.4
77.03915	0.7
82.99821	1.1
91.05461	3.9
93.07034	6.1
95.04957	1.9
97.02880	1.7
98.97570	6.4
101.00861	4.2
103.05432	3.9
105.04539	0.7
109.57304	0.4
110.97575	1.3
113.00871	1.7
115.02431	1.4
115.03959	0.7
116.98646	2.3
119.01907	4.8
121.06490	100.0
122.06797	2.3
125.00853	1.1
127.02396	2.0
128.98579	0.9
131.01869	3.5
133.03441	1.7
137.00887	0.9
138.09122	26.0
139.02409	1.5
139.09467	0.6
143.01863	5.2
145.03419	7.6
147.01404	1.1
151.02344	0.8
153.18958	0.5
155.01868	9.1
156.02628	0.9
157.03445	5.7
161.02928	4.4
163.04454	0.7
167.01849	1.9
167.03009	1.0
169.03465	4.9
171.01346	3.2
171.05046	1.1
173.02936	8.2
175.04532	1.5
176.03444	0.5
179.01912	1.3
181.03473	1.9
182.03305	1.2
183.05023	1.4
185.02930	10.6
186.03571	0.6
187.04361	0.6
189.02377	0.6
193.03400	3.0
194.53485	0.5
197.02934	8.7
199.04521	3.6
203.03966	5.4
209.02872	2.9
209.53822	0.6
211.04404	3.2
213.02405	0.6
217.05548	1.1
219.01741	0.7
221.02942	4.7
221.05064	8.2
221.53986	0.9
227.04008	4.0
237.02875	0.6
239.03857	3.1
241.05614	0.7
245.95570	0.5
256.96396	0.9
257.05276	0.6
259.06693	2.2
261.04547	0.8
269.05005	8.0
274.97473	4.7
287.06097	17.7
288.06293	0.5
292.98560	2.5
296.06528	1.3
299.06076	6.1
301.07608	1.5
315.03360	0.5
317.07117	47.1
318.07401	1.1
319.08698	1.0
415.05154	0.8
415.10770	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	414.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19460	1.7
57.03435	3.4
57.07071	55.8
61.02927	11.7
69.03427	28.1
69.75731	4.0
69.76119	5.2
70.06599	3.7
73.02912	69.3
81.03386	2.9
85.02910	8.1
85.06538	100.0
97.02872	17.2
99.04463	4.6
108.45301	2.1
109.02863	4.1
115.03885	10.6
127.03902	28.6
133.05016	3.1
145.04970	8.0
168.26091	2.0
169.08583	3.6
211.09645	7.0
229.10765	13.0
245.57239	2.2
247.11763	91.8
248.12134	3.7
269.15860	2.6
345.11166	2.6
414.08786	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	414.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01865	8.6
57.03427	21.6
57.07061	2.0
61.02916	14.6
64.28201	1.2
69.03419	27.9
70.78867	2.5
71.01341	4.3
73.02908	100.0
81.03401	5.3
85.02896	77.7
85.06528	3.3
87.04465	5.4
91.03941	3.5
97.02879	58.8
99.04437	5.6
103.03937	3.0
109.02860	5.7
115.03924	37.9
127.03904	24.8
128.43567	1.3
132.06581	2.0
133.04951	45.5
144.06519	6.1
145.04939	41.8
150.07597	4.5
156.06604	1.5
163.05977	16.3
180.08618	4.5
193.04900	2.7
199.05974	2.0
200.47375	1.5
223.05983	5.6
241.07008	7.1
259.08041	5.0
276.10919	1.9
277.09177	1.7
294.11807	2.7
295.10220	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
57.03427	5.4
57.07068	49.2
61.02917	13.0
69.03421	26.5
69.55291	2.6
70.06570	3.6
71.01344	3.0
71.04944	1.3
73.02908	100.0
73.31596	1.4
75.85741	1.3
80.85832	1.5
81.03398	2.5
85.02898	21.5
85.06530	93.4
86.09692	1.4
87.04469	2.3
97.02874	22.8
99.04425	4.1
105.01836	1.8
109.02855	6.0
111.17280	1.2
115.03919	17.0
127.03896	32.7
128.04240	1.3
133.04938	9.0
134.05951	1.3
134.98961	1.3
136.06190	2.6
136.38925	1.2
145.04945	14.6
150.07567	2.4
155.05646	1.2
157.04900	2.6
159.02872	2.3
163.03827	2.5
169.08527	2.1
211.09529	8.1
215.90640	1.6
229.10643	12.4
247.11731	99.2
248.12016	4.3
251.14001	1.9
252.15999	2.9
304.96512	1.5
415.15292	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	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.01865	7.3
55.05505	1.3
57.03432	15.3
59.04971	1.8
60.04500	1.0
61.02913	13.5
67.05503	2.1
69.03417	33.5
69.03793	1.6
69.11615	0.9
69.11925	8.1
70.06568	1.8
71.01340	4.6
71.04984	6.8
73.02907	68.9
74.03227	1.3
79.05488	1.3
81.03397	6.6
81.07040	2.2
85.02891	100.0
85.10171	3.2
86.03243	1.0
86.09663	2.1
87.04434	3.5
91.03944	3.1
91.05464	1.5
95.04935	1.3
97.02877	58.1
98.03194	1.7
98.22691	2.0
99.04427	4.9
103.03902	1.8
109.02873	11.9
109.10099	1.4
115.03925	24.3
125.02338	1.2
127.03896	32.3
127.07571	3.1
133.04947	35.1
136.07561	4.1
137.05937	1.4
137.07895	1.3
137.09599	4.3
145.04932	47.8
145.08566	9.1
146.05164	1.6
150.07584	2.3
157.04819	1.3
163.05995	24.6
164.07054	3.4
165.05374	1.1
165.07495	1.4
165.09068	3.2
181.04854	1.3
193.04997	1.8
199.06038	1.1
200.34497	1.0
203.05232	1.6
217.07135	1.6
223.05986	5.9
241.07027	6.8
253.10435	1.8
259.08105	7.6
265.16357	2.7
277.09094	2.3
295.10275	2.7
301.09064	1.8
343.10315	1.7
361.11130	3.6
396.16223	1.3
414.12195	2.2
414.17007	2.1
414.22092	13.6
415.19266	5.3
431.78201	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.0
61.30303	3.0
67.05508	6.9
68.05005	4.8
69.03427	4.9
69.85570	6.1
69.85940	7.2
70.06588	60.3
73.31968	3.0
79.05489	11.8
81.07040	9.7
83.04942	2.9
84.08126	3.2
85.02932	4.0
90.69287	3.0
91.05453	10.2
93.07038	11.7
95.04946	6.2
95.08578	6.5
96.08132	5.2
98.97553	3.7
99.76062	3.2
100.07610	13.1
105.07037	17.1
107.04946	7.1
107.08530	15.4
109.06482	3.3
109.10168	5.9
114.05528	5.8
116.07100	4.5
117.07009	5.9
119.08559	26.1
120.08083	5.5
121.10175	7.5
122.09657	3.6
128.07065	26.5
131.08542	13.5
133.10069	10.7
135.08040	3.3
137.09648	4.3
142.08701	3.7
143.08563	12.3
145.10101	12.9
147.08089	5.0
147.11681	8.7
148.11145	7.0
149.09674	3.8
154.08578	4.0
157.10109	19.8
159.11658	6.1
165.09129	8.0
166.08548	5.4
167.07117	5.3
168.10202	46.3
171.11697	10.3
173.13237	4.0
175.11128	7.8
178.08618	5.2
181.04938	8.3
181.12410	3.3
183.11626	4.9
185.13243	9.0
190.15811	6.1
194.11699	11.2
195.11713	4.3
197.13257	6.0
199.14880	3.6
209.13329	3.8
215.14294	5.4
221.15367	25.7
223.14865	5.9
234.14816	4.2
235.09778	4.9
266.16379	3.4
274.97394	5.5
286.58960	3.2
309.55057	3.5
370.27228	9.4
414.11392	4.1
414.26358	100.0
414.31839	7.9
415.17505	44.6
415.26379	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	414.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05505	4.9
57.07049	1.6
67.05492	5.0
68.05011	4.4
68.81408	0.6
69.03408	1.9
69.07043	2.8
69.64789	1.3
69.65163	1.0
70.06580	50.1
71.04971	2.7
79.05473	6.9
80.04997	1.4
81.07039	6.3
82.06546	1.0
83.04955	3.8
83.08604	1.7
84.04492	1.2
84.08113	1.0
85.02893	1.0
85.06525	1.8
87.04447	1.6
91.05454	7.3
93.07024	10.9
94.06556	2.5
95.04953	4.0
95.07304	0.8
95.08591	5.4
96.07556	1.1
96.08093	5.2
97.06514	3.0
98.06029	2.4
99.08130	0.8
100.07595	13.7
103.05401	1.2
105.07011	18.7
106.06580	0.9
107.08573	11.3
108.08104	2.7
108.08858	0.7
109.06496	7.0
109.10142	4.8
111.08059	1.1
113.05997	1.0
113.09629	1.1
114.05489	6.5
115.05406	1.3
116.06329	1.2
116.07047	4.9
117.06985	4.8
119.08556	21.2
120.08115	4.4
121.06487	1.1
121.08894	0.8
121.10118	5.1
122.09657	5.1
123.08027	3.8
123.11712	1.0
124.11202	0.7
125.09632	1.3
128.06195	2.2
128.07050	19.8
129.06958	4.5
130.07787	1.5
131.08537	9.6
132.08073	1.2
133.02826	0.9
133.09012	1.1
133.10104	7.5
134.09656	3.2
135.08035	3.1
135.11670	1.6
136.11185	5.1
137.09601	3.0
140.10643	1.0
141.06947	1.7
142.07735	6.1
143.08530	10.4
144.09320	3.1
145.10097	18.8
146.09644	2.2
147.08032	3.1
147.10532	1.4
147.11679	5.1
148.11162	6.1
149.09602	1.9
151.06273	1.6
151.07454	0.8
153.06934	1.0
154.08578	3.3
155.08508	3.7
155.10620	1.2
156.09283	4.4
157.10088	15.8
158.09659	0.9
159.08003	2.0
159.11659	5.8
160.11159	1.5
161.09567	0.9
161.13226	1.1
162.12753	4.8
163.11157	2.5
164.07027	1.6
165.06967	1.0
165.09116	7.3
166.08646	3.5
167.08546	1.5
168.10185	38.3
169.10115	4.7
170.10884	2.0
171.11678	8.8
172.12405	0.8
173.09607	1.2
173.13165	4.3
175.11133	6.0
178.08585	8.1
179.14279	1.0
181.09998	1.4
181.12241	2.5
182.10699	1.2
182.11977	0.9
183.11668	5.0
184.12407	1.1
185.13264	4.1
186.12648	1.6
187.14819	1.4
188.14384	1.1
189.12750	1.1
190.15852	3.2
192.10161	3.9
193.10092	1.6
194.11778	8.5
195.11656	5.0
197.13289	6.0
198.12726	1.0
199.11108	1.0
199.14850	3.6
202.15855	1.0
203.14349	3.5
204.10075	1.1
206.11728	1.5
207.11736	1.8
207.13702	0.9
208.12407	1.0
209.13214	3.7
211.14679	0.9
213.16397	1.1
215.14211	3.4
218.11687	0.8
221.13197	1.6
221.15318	20.5
223.14822	4.4
224.14139	1.1
225.12671	0.7
225.16302	1.6
227.14218	0.9
232.13332	2.1
233.15442	1.2
234.14737	4.3
237.16246	1.2
240.17239	0.9
241.16081	0.9
244.13364	0.9
246.14874	2.1
255.17329	0.9
256.64923	0.9
258.14847	1.7
260.16406	1.5
265.19519	4.2
268.20422	1.1
271.15775	0.6
272.16351	0.9
273.18634	0.9
281.19061	1.4
283.20447	0.9
284.16315	0.9
296.20093	0.7
298.18149	0.8
299.20016	2.9
301.21542	1.0
312.19464	1.6
312.23068	1.0
313.20398	0.9
314.21014	1.0
328.18796	1.0
352.26404	1.9
356.22308	2.8
370.27234	6.0
377.88074	0.7
396.25137	3.9
414.26303	100.0
415.26761	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	414.2636
Annotation	Yesodine
Peak:m/z	Relative Intensity
54.35426	1.3
55.05504	6.9
65.24617	1.3
67.05500	7.6
68.05010	5.9
69.03413	5.2
69.07047	5.7
69.19492	2.7
69.19884	5.8
70.06584	36.4
79.05482	9.0
80.04953	2.0
81.07061	8.3
83.04974	8.0
83.08605	2.7
85.06554	2.3
91.05460	14.2
93.07031	12.8
94.06583	2.0
95.04955	6.1
95.08596	5.4
96.08133	7.8
97.02857	2.4
98.06017	4.4
98.22707	3.2
100.07616	16.8
105.04469	1.4
105.07013	19.7
106.06525	1.6
107.04948	2.4
107.08569	13.0
108.08078	1.5
109.06496	4.5
109.10098	2.4
114.05499	8.0
116.07066	14.4
117.06995	3.1
119.08556	19.1
120.08102	13.1
121.06499	5.8
121.10130	12.9
122.09670	5.0
123.08051	1.8
125.09634	2.2
128.06210	5.2
128.07066	18.7
129.06979	10.6
130.07764	2.8
131.08542	16.3
133.06543	1.6
133.10126	5.6
134.09637	16.0
135.07936	1.9
136.11185	7.1
137.09573	1.5
138.09058	2.3
141.06927	3.6
142.07764	10.6
143.08524	23.8
143.97565	1.6
144.09357	9.4
145.06442	2.0
145.10115	16.3
147.08064	2.3
147.11687	3.9
148.11182	7.4
149.09584	14.2
155.08524	6.7
156.09341	7.7
157.10114	22.4
158.10822	3.5
159.08031	13.1
159.11662	7.2
160.08824	1.4
161.09579	2.3
164.07054	2.3
165.06984	2.3
166.08632	5.6
167.08557	4.8
167.10619	2.5
168.10271	18.6
168.48724	1.5
169.10127	9.2
170.10896	2.8
171.11667	11.9
172.11107	1.4
173.13268	6.3
175.11095	2.4
178.08665	10.4
179.08563	4.1
181.10126	5.4
182.10680	2.4
183.11671	16.1
184.09737	2.1
185.13237	6.2
189.12735	3.1
192.10248	1.9
193.10170	4.7
194.11801	3.0
195.06454	2.4
195.11600	5.2
196.12436	1.9
197.13168	8.5
199.11148	3.4
199.14790	4.1
207.11720	6.1
208.12447	4.0
209.13159	10.7
215.14168	3.0
221.13208	3.3
223.14755	8.6
225.12755	2.1
225.16475	2.9
227.14224	2.2
233.13155	2.1
233.15356	41.1
234.15846	1.7
235.14932	2.1
237.16322	4.3
239.18048	1.8
248.15570	3.7
256.13409	1.9
259.15643	2.9
263.18045	6.9
265.19482	9.2
277.25726	1.5
281.18930	7.4
283.20557	9.4
299.20160	2.5
313.20322	2.5
336.23413	2.0
350.24863	2.0
352.26315	11.4
356.22131	5.2
378.24207	2.7
396.25299	38.2
397.25470	2.8
414.11810	2.5
414.21793	4.9
414.26324	100.0
415.19379	10.4
415.26627	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.4
57.07067	2.1
60.04518	1.3
67.05503	5.4
68.05025	3.0
69.03423	3.5
69.07060	5.5
69.78986	2.2
69.79372	2.0
70.06582	35.0
71.04982	1.2
75.40169	1.3
79.05484	4.4
81.07056	5.5
82.06573	1.2
83.04969	8.9
83.08599	2.1
84.08151	1.3
85.06540	2.7
85.82879	1.0
87.04465	1.1
91.00574	1.5
91.05460	9.4
93.07030	10.3
94.06535	2.4
94.21997	1.1
95.04949	4.8
95.08623	5.8
96.08111	4.1
97.06472	2.1
98.06037	2.2
100.07600	15.9
103.05489	1.5
105.04507	1.3
105.07011	14.3
107.07356	1.5
107.08566	10.1
108.08115	1.1
109.06507	4.8
109.10133	4.0
114.05497	6.0
115.05389	1.5
116.07070	13.7
117.06996	4.6
119.08562	18.8
120.08080	11.7
121.06480	6.2
121.10138	9.9
122.09650	2.7
123.08047	1.5
124.11223	1.4
125.09624	2.4
128.06175	3.2
128.07069	16.7
129.07010	6.4
130.07813	1.5
131.08554	11.7
133.06491	1.7
133.10094	6.3
134.09610	12.5
135.08043	1.2
135.10406	1.1
136.11195	4.0
139.10995	1.3
141.06932	2.2
142.07738	6.3
143.08549	17.3
144.09343	7.3
145.06471	1.4
145.10086	16.0
146.09631	1.5
147.10425	1.1
147.11662	4.1
148.11221	4.6
149.09595	11.1
149.11937	1.2
151.06253	2.4
155.08553	5.0
156.09322	5.4
157.10101	20.0
158.10962	1.3
159.08052	11.7
159.11707	4.5
160.11227	1.6
161.09587	1.5
165.06979	2.1
166.08629	4.2
167.08537	2.7
167.10666	4.5
168.08984	1.7
168.10223	15.7
169.10074	6.0
170.10887	2.5
171.11667	8.4
173.09634	2.2
173.13313	5.6
175.11174	2.1
178.08629	6.4
179.08545	3.0
180.10229	1.2
181.10092	5.1
182.10776	1.5
182.11922	1.5
183.11661	16.2
184.09685	2.4
185.13179	5.9
186.12782	1.6
188.14330	2.0
189.12738	1.4
192.10275	2.6
193.10165	4.0
194.11861	2.0
195.11649	5.5
197.13223	7.6
199.11177	3.6
199.14848	3.9
207.11739	5.0
208.12509	3.2
209.13237	10.6
215.14340	3.2
221.13214	3.3
223.14821	10.2
225.12674	1.8
225.16339	2.3
227.14227	1.6
232.13477	1.3
233.13043	2.1
233.15346	35.0
237.16458	1.9
239.14389	1.2
248.15607	2.5
252.17696	1.3
255.17329	1.4
259.15573	2.4
263.17947	6.2
265.19479	6.1
267.17517	1.1
268.20612	1.1
281.19025	5.1
283.20538	7.7
296.16504	1.3
298.18118	1.7
299.20032	1.5
304.18900	1.2
350.24707	1.5
352.26254	8.4
356.22119	4.3
378.24396	1.7
381.22888	1.7
396.25250	34.2
397.25565	3.6
414.18347	5.3
414.26331	100.0
415.22797	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86152	1.2
55.05502	4.6
56.34883	1.2
57.07066	2.0
67.05489	8.6
68.05012	4.4
69.03423	4.9
69.07048	3.8
69.45807	1.5
70.06583	53.2
71.04981	2.3
71.44523	1.4
74.06048	1.6
79.05481	7.8
81.07053	11.0
83.04971	5.6
83.08615	1.8
84.04499	1.9
84.08128	2.7
85.02906	2.1
85.06532	3.1
87.04459	1.9
91.05447	10.0
93.07040	14.1
94.06548	1.9
95.04958	5.7
95.08605	8.1
96.08115	5.8
97.06521	4.7
98.97581	2.3
100.07600	14.4
105.07018	20.0
106.06577	2.2
107.07410	1.9
107.08588	12.7
108.08089	2.9
109.06466	8.7
109.10149	5.6
111.08072	1.6
114.05523	6.2
115.05415	1.9
116.07092	3.7
116.98647	1.4
117.07018	6.5
119.08564	25.8
119.53657	1.3
120.06596	1.7
120.08070	6.8
121.06509	1.6
121.10128	6.4
122.09662	6.0
123.08070	2.7
125.06029	2.6
128.06200	2.3
128.07039	20.4
129.06950	4.2
130.05028	2.0
131.08543	10.5
133.10136	9.3
134.09662	3.1
135.08055	2.7
135.11699	2.4
136.11215	6.4
137.09590	2.6
140.07068	2.1
140.10748	1.6
142.07768	5.5
143.08527	12.2
144.09311	2.9
145.10103	19.8
147.08064	2.4
147.11690	6.0
148.11217	5.9
149.09560	1.9
151.06261	3.5
154.08592	3.0
155.08524	2.8
156.09319	5.2
157.10106	16.5
158.10860	2.0
159.08058	1.6
159.11673	7.3
160.11169	2.2
161.09651	2.0
161.13278	1.7
162.12730	6.6
163.11186	2.6
164.07103	1.2
165.09099	7.1
166.08615	3.5
168.10182	42.3
169.10130	6.1
170.10941	1.8
171.11670	10.2
172.94540	1.4
173.13264	5.0
175.11176	5.4
177.07736	1.6
178.08575	9.0
180.10060	1.4
180.63593	1.3
181.10156	2.6
181.12259	2.7
182.10802	1.4
183.11647	8.1
185.13264	6.9
186.12712	1.5
190.15915	3.8
192.10225	5.2
193.10091	2.4
194.11792	9.2
195.11705	4.2
197.08810	1.4
197.13258	6.1
199.11194	2.1
199.14803	5.2
203.14369	4.3
204.10216	1.7
206.11670	2.0
208.12459	1.6
209.13266	4.0
215.14285	3.9
221.15327	21.3
223.14833	4.4
225.16466	2.9
232.13345	2.3
234.14941	4.5
237.16397	1.5
242.30937	1.6
246.14926	1.9
252.39301	1.4
258.14780	2.2
265.19559	4.8
273.18399	1.3
274.97394	2.5
299.20102	2.0
301.21509	1.7
313.20453	1.7
356.22113	3.2
370.27417	8.5
396.25302	4.6
414.26349	100.0
415.16718	3.7
415.26932	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	414.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05491	4.8
55.49995	1.1
57.07066	2.8
63.89377	0.9
65.03919	1.5
67.05495	7.6
68.05019	5.3
69.03418	2.9
69.07052	3.3
69.30849	5.3
70.06584	55.2
71.04989	2.3
72.08126	0.9
79.05493	7.4
80.05017	1.8
81.03366	1.0
81.07045	8.6
82.06554	1.2
82.44289	1.0
83.04951	2.4
83.08609	2.9
84.04491	11.6
84.08145	1.4
85.06537	2.7
87.04468	1.1
91.05465	11.5
93.07040	12.5
94.06552	2.5
95.04952	3.4
95.08614	5.0
96.08112	6.1
97.06514	1.8
98.06037	1.9
98.22652	2.0
98.97601	1.5
100.07603	13.4
102.05539	5.5
105.07018	23.4
106.06628	1.1
107.05001	1.7
107.08569	10.7
108.08115	2.8
109.06507	7.0
109.10146	8.0
111.62884	1.0
114.05522	5.4
115.05497	1.1
116.07085	3.3
117.07005	4.4
119.08566	24.7
120.08101	5.8
121.06474	1.0
121.10143	7.6
122.09653	4.8
123.08045	3.2
125.05986	1.3
125.09611	1.9
128.06197	2.6
128.07036	16.6
129.07011	5.4
130.04985	4.4
130.07764	2.8
131.08554	11.1
133.10114	10.5
134.09621	3.7
135.08066	3.2
135.11664	1.4
136.11195	4.7
137.05930	1.2
137.09625	3.5
140.07056	1.2
140.10707	0.9
141.07018	2.1
142.07750	6.3
143.08556	11.6
144.09312	3.9
145.06538	1.2
145.10109	21.0
146.09648	2.7
147.08044	3.5
147.10580	1.5
147.11650	5.5
148.06026	1.5
148.11179	4.8
149.09619	1.4
151.06322	1.7
151.07520	2.2
154.08624	2.9
155.08574	2.8
156.09328	5.2
157.10109	15.1
159.08057	3.3
159.11653	5.1
160.11229	2.2
161.13289	2.0
162.12724	7.7
163.11208	2.4
164.07001	1.3
165.09155	4.8
166.08615	2.4
167.08594	3.2
168.10194	34.4
169.10150	4.3
170.10942	1.5
171.11646	7.7
173.09651	2.0
173.13208	5.0
175.11119	2.4
177.07884	1.9
178.08598	9.1
181.10059	1.9
181.12225	2.4
182.11740	1.2
183.11646	7.3
185.09755	1.0
185.13258	3.7
186.12721	1.1
190.15939	2.6
192.10226	3.2
193.10002	1.6
194.11826	6.1
195.11705	3.2
196.12195	1.0
197.13257	4.8
199.11143	1.7
199.14819	3.9
201.12764	1.1
203.14313	3.0
206.11606	1.5
207.11743	1.4
207.13773	1.3
208.12477	1.4
209.13217	3.5
215.14389	2.3
221.15306	15.8
223.14792	4.2
225.16534	1.9
227.14178	1.2
230.11711	1.2
232.13289	2.6
234.14949	4.3
244.13268	1.2
246.14951	1.9
249.18439	2.0
258.14972	2.6
259.15579	2.4
265.19464	3.1
274.97574	1.9
281.19150	1.4
299.20032	1.1
301.21652	1.8
352.25995	1.7
356.22189	2.6
370.27390	13.6
396.25208	6.0
414.26349	100.0
415.26712	9.0
417.34241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30355	1.2
55.05500	22.2
57.07068	15.0
58.06579	2.5
67.05487	3.7
67.40751	1.2
69.06702	2.2
69.07058	29.3
71.07738	1.2
71.08625	10.9
79.05471	1.4
81.07050	5.5
83.08611	21.5
84.48737	1.1
85.10167	5.2
88.03118	1.1
91.05440	2.6
93.06995	2.0
95.08583	3.8
97.10161	18.9
99.11749	1.1
102.05530	11.4
104.07088	100.0
104.70071	1.0
105.07468	1.4
107.08577	1.9
109.10204	1.5
111.11694	7.9
112.95573	1.2
115.80824	1.2
119.08561	37.2
121.06506	2.1
121.10109	1.5
125.13238	2.7
135.11670	2.2
147.29976	1.2
149.79593	1.3
150.94321	1.1
198.91982	1.2
207.25833	1.1
271.15363	1.3
275.27472	1.8
293.28333	8.3
327.63608	1.5
396.34689	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	414.9533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60944	0.2
56.96283	0.5
56.96556	8.4
70.55992	0.4
70.56333	0.5
71.95224	0.5
76.80321	0.3
98.97567	72.8
99.97894	0.4
116.98605	38.8
130.93285	1.0
134.99634	13.8
140.39061	0.2
153.00706	0.8
172.94336	4.2
177.00940	0.4
190.95367	3.1
192.98727	0.3
197.95003	0.4
208.96407	1.2
214.95393	2.4
216.98715	0.3
232.96429	6.4
234.99883	0.5
250.97511	3.5
256.96390	13.8
257.96603	0.3
258.99725	2.6
259.99847	0.7
261.00208	0.3
261.03073	1.1
262.03043	0.4
274.97461	100.0
275.97833	2.0
277.00778	2.2
278.01001	0.6
279.00629	0.4
282.99847	0.7
283.99963	0.4
290.95313	0.3
292.98511	52.7
293.98697	1.3
297.99130	1.6
298.97644	0.7
300.97537	0.3
301.00970	1.0
302.01190	0.4
303.00809	0.4
310.99728	0.6
316.00153	0.5
316.98834	1.5
373.01318	0.7
414.95306	3.6
415.95544	0.3
432.96365	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	415.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88441	19.7
71.33891	5.8
88.92389	6.1
98.23407	7.8
152.32196	6.4
214.87498	7.8
285.27795	6.3
374.64835	6.2
398.74667	6.6
415.09921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	20.7
69.43739	19.2
73.09217	4.8
84.95977	5.6
98.96975	8.7
98.97575	100.0
110.97578	9.9
116.98609	40.4
128.98605	6.5
134.99649	10.4
152.05656	6.2
175.99136	4.5
219.01823	8.6
229.00140	11.1
232.96504	4.7
237.02766	13.1
256.96494	8.9
274.97525	73.8
287.06003	6.8
292.98492	39.9
298.97629	6.9
316.98773	10.4
317.07074	13.4
355.03046	8.1
373.04349	8.6
415.09854	60.1
416.09076	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	415.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.2
59.85821	0.7
69.38866	1.5
69.39270	2.0
69.61407	0.6
71.95136	0.5
73.26274	0.7
77.00865	0.7
81.03378	0.8
82.99809	1.1
85.02857	0.7
86.09627	0.6
97.01347	0.8
97.02860	1.5
98.97575	9.2
101.00862	8.4
103.05428	0.6
110.97501	0.7
113.00858	3.6
115.02427	4.0
116.98629	3.5
117.37278	0.7
119.01228	0.7
119.01904	8.0
121.06494	15.7
122.06822	9.1
122.84595	0.6
125.00847	1.1
125.77829	0.9
127.02396	4.9
128.13312	0.7
129.00314	0.8
131.01001	0.8
131.01889	8.6
131.05499	1.0
133.03461	1.4
134.99704	0.8
137.00824	1.7
138.01537	0.8
138.09148	3.6
139.02336	2.4
139.09419	1.8
143.00804	0.6
143.01883	10.7
145.03456	19.3
146.03654	0.7
147.01369	1.3
151.02391	1.3
155.01884	20.3
156.02654	0.9
157.03445	11.7
158.03592	0.9
161.02939	7.5
161.91982	0.6
163.04449	1.7
167.01784	4.6
169.03452	8.8
170.03525	0.8
171.01347	4.6
171.04941	2.0
173.01465	1.1
173.02940	15.3
175.04457	3.5
176.03308	1.2
179.01817	2.1
181.03435	2.9
183.04945	1.8
185.02921	21.2
185.06445	0.7
186.03061	2.0
187.04436	1.6
189.02405	1.8
190.95407	0.8
193.03441	4.9
194.03435	0.8
195.05058	0.9
197.02945	15.2
198.03119	1.3
199.04480	7.6
203.03999	11.0
209.02980	5.5
211.04498	5.7
213.02402	1.0
215.03900	1.5
217.05490	2.2
219.01965	1.1
220.04276	1.3
221.02896	8.7
221.05034	17.4
222.03152	1.1
227.04004	7.2
231.03366	0.8
237.02800	1.3
239.03941	6.6
241.05515	1.8
251.03984	0.8
256.96399	1.2
257.05057	1.7
259.06689	4.4
261.04510	0.7
269.05014	18.2
270.05222	0.7
274.01361	0.7
274.97467	7.6
277.05640	1.5
287.06091	34.1
288.06351	2.6
292.98495	6.1
296.06540	1.0
299.06125	12.4
300.06244	1.0
301.07623	3.9
317.07132	100.0
318.07358	7.7
319.08469	1.4
340.08685	0.9
374.22318	0.7
415.10800	24.3
416.11087	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.115
Annotation	Heptafluthrin
Peak:m/z	Relative Intensity
52.32795	4.3
59.19551	4.4
67.05499	5.7
67.62376	4.2
69.07021	4.4
69.10746	32.8
72.82214	4.2
79.05497	5.7
81.07043	8.1
93.07025	6.2
95.08629	6.2
98.23066	27.6
98.33305	4.2
98.97565	9.5
103.34042	4.4
105.07001	7.4
107.04952	6.4
107.08603	5.7
109.10119	5.5
116.98596	9.9
119.08537	9.0
121.10197	5.6
124.80750	4.4
141.25719	4.2
167.07021	6.7
181.04939	14.4
257.04196	15.8
274.97504	15.1
292.98636	6.5
313.04721	4.9
339.06372	4.5
383.08841	100.0
384.08984	6.9
415.11472	68.0
415.17224	7.3
416.11646	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	415.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12393	8.3
69.03427	27.2
69.38068	8.9
69.38361	38.5
70.06580	12.1
72.08151	20.6
79.05511	11.5
83.04958	7.8
83.11109	7.4
84.08119	8.0
85.02898	16.6
86.09690	74.9
97.02850	13.1
105.07044	8.3
107.04941	10.8
109.02867	9.1
116.98619	9.1
121.02848	25.8
134.92090	8.0
135.08040	9.1
137.05957	32.8
141.05441	11.5
145.06430	9.3
153.06618	10.2
161.05862	7.9
161.09642	10.0
167.07010	26.7
169.04918	13.3
174.06805	8.4
175.07629	19.9
179.07123	10.8
181.05034	16.9
185.05969	11.2
219.10147	100.0
236.07072	10.8
253.10594	8.4
273.11288	17.6
274.97369	20.5
292.98465	11.4
299.05432	45.5
300.06042	9.0
311.05441	14.6
325.06995	23.9
344.97403	9.9
353.06540	39.5
379.08035	21.1
387.13971	11.2
390.68195	8.3
397.09137	28.8
397.16473	19.4
414.21829	18.5
415.07895	14.5
415.13855	36.2
415.18558	88.7
416.13312	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12393	8.3
69.03427	27.2
69.38068	8.9
69.38361	38.5
70.06580	12.1
72.08151	20.6
79.05511	11.5
83.04958	7.8
83.11109	7.4
84.08119	8.0
85.02898	16.6
86.09690	74.9
97.02850	13.1
105.07044	8.3
107.04941	10.8
109.02867	9.1
116.98619	9.1
121.02848	25.8
134.92090	8.0
135.08040	9.1
137.05957	32.8
141.05441	11.5
145.06430	9.3
153.06618	10.2
161.05862	7.9
161.09642	10.0
167.07010	26.7
169.04918	13.3
174.06805	8.4
175.07629	19.9
179.07123	10.8
181.05034	16.9
185.05969	11.2
219.10147	100.0
236.07072	10.8
253.10594	8.4
273.11288	17.6
274.97369	20.5
292.98465	11.4
299.05432	45.5
300.06042	9.0
311.05441	14.6
325.06995	23.9
344.97403	9.9
353.06540	39.5
379.08035	21.1
387.13971	11.2
390.68195	8.3
397.09137	28.8
397.16473	19.4
414.21829	18.5
415.07895	14.5
415.13855	36.2
415.18558	88.7
416.13312	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08537	0.4
69.17525	2.0
70.06568	0.5
76.34835	0.3
85.02914	0.4
86.09699	0.6
98.22706	0.8
140.02708	0.4
283.07825	2.3
317.78519	0.4
381.89603	0.4
393.53497	0.4
415.12042	100.0
416.12341	6.1
416.17328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72719	1.4
53.03937	9.1
55.01854	10.2
57.03434	10.5
57.07059	2.2
61.02924	10.9
68.99780	2.9
69.03061	2.6
69.03420	34.2
70.06573	4.5
71.01353	1.9
71.04982	7.4
72.08144	3.3
73.02907	32.4
74.03253	3.3
81.02960	2.1
81.03411	30.6
84.08113	2.1
85.02890	100.0
85.06513	2.7
86.03235	5.2
86.09688	4.6
87.00821	27.4
91.03951	4.1
91.05452	2.5
94.76579	1.6
97.02878	46.3
98.03209	5.8
99.04443	19.4
103.03922	2.3
105.01842	32.2
109.02860	37.5
110.03216	1.9
115.03938	8.0
117.01814	3.6
122.05975	3.0
123.03604	1.4
123.04409	6.8
127.03900	72.7
128.04234	3.3
129.01773	3.7
129.06984	2.1
131.08522	2.0
133.05051	13.0
134.05313	4.0
137.05943	7.0
145.04939	51.1
145.06081	3.2
146.05293	4.2
147.02834	3.7
150.05504	12.8
159.02873	27.8
177.03844	1.7
179.07001	5.7
185.05951	1.8
189.03955	3.1
192.06540	14.4
201.36934	1.8
213.03864	2.5
231.04955	15.5
242.07132	1.9
249.06050	2.5
271.08569	2.1
306.11008	2.2
352.11551	2.3
359.16315	1.7
398.10904	9.0
415.15128	14.7
416.20273	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	13.0
69.87649	19.0
70.06573	22.1
79.05462	8.0
81.07033	14.2
86.09695	32.0
91.05423	8.2
95.08593	14.6
98.23435	6.7
105.06959	12.4
107.08535	9.6
109.10101	8.6
125.09588	6.1
136.77237	5.9
137.05963	17.6
139.59210	8.2
175.07539	8.4
175.09064	7.4
203.05243	8.0
239.11238	5.7
261.15445	6.3
274.97491	6.1
326.21249	7.9
353.39487	6.3
366.11957	6.1
397.16293	11.2
415.13821	100.0
415.18689	17.1
415.23053	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82158	0.4
52.99551	0.4
66.01769	0.4
67.05493	0.6
69.03419	0.6
70.06593	0.5
71.24183	0.4
74.02961	0.5
81.03439	0.4
81.07027	0.7
82.64645	0.5
85.48814	0.4
86.09708	0.9
91.05434	0.6
93.07050	0.6
93.45148	0.5
95.04948	0.5
95.08602	0.7
97.02893	0.6
105.07021	1.0
106.82391	0.5
107.04935	0.9
107.08557	0.4
121.02791	0.5
121.24541	0.4
137.05969	0.9
159.04218	0.4
167.07024	1.1
194.97716	0.5
218.05507	1.9
253.14105	2.9
274.97528	0.6
367.11423	0.7
397.17148	1.0
415.13568	100.0
415.18436	4.8
416.13855	6.5
416.38492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13781	3.8
53.03935	4.0
55.01871	4.2
59.82978	4.2
67.05492	10.3
69.03419	7.0
69.07063	6.5
70.04049	8.6
70.06588	8.3
71.04955	3.9
72.08148	20.3
79.05479	19.6
81.07059	7.6
85.02895	10.6
86.09697	18.7
91.05477	9.3
93.07030	3.1
95.04968	12.9
95.08583	3.4
97.02903	4.1
103.05466	4.6
105.03383	15.8
105.07034	6.9
106.04164	6.1
107.04953	9.2
107.08598	4.0
109.10123	3.3
115.05409	8.1
116.07096	12.7
117.07023	7.5
119.04940	5.0
121.06495	5.4
122.05983	3.0
123.04430	13.8
124.05235	4.1
126.13467	2.9
128.06219	6.8
129.07002	16.1
131.04869	3.9
131.08546	4.9
133.02835	100.0
133.03859	5.6
134.03671	18.4
135.02650	3.0
137.06009	6.8
143.04878	4.0
145.03310	2.9
145.06473	11.1
146.06021	4.5
147.04404	16.0
149.06006	5.2
149.09573	4.2
150.05492	21.3
151.03931	10.2
152.07109	11.6
153.07370	7.4
155.04924	11.6
157.06458	22.4
158.07181	3.8
159.04439	14.4
161.09532	3.6
168.05791	6.7
169.04936	5.6
171.04355	6.8
173.05978	15.9
183.04440	15.7
184.05177	12.5
185.05911	8.0
197.77223	3.5
201.05388	16.8
201.12360	3.7
202.07764	7.5
212.04538	3.4
215.08533	8.7
217.10124	6.4
226.07779	5.3
229.04919	19.5
230.05672	6.1
231.07964	6.0
235.13350	6.8
243.07941	5.2
245.09610	9.1
253.14171	18.3
255.08075	7.0
261.09119	12.8
271.07498	15.3
273.09128	8.2
282.18329	3.6
288.10229	4.6
289.08463	33.2
293.08173	4.3
299.06915	15.7
301.08188	4.1
317.08014	33.3
334.10843	15.5
335.09094	14.1
344.09268	4.1
345.07498	7.7
352.11771	3.7
362.10342	4.5
363.08441	16.0
380.11234	8.3
381.09595	32.5
398.12589	17.8
398.17224	4.3
399.11057	3.4
415.17917	23.3
415.22720	36.9
416.13281	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	415.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.6
71.41248	1.6
71.41624	1.9
76.49607	1.6
93.07050	1.9
95.04966	2.4
95.59225	1.8
98.97604	4.7
107.08621	1.9
116.98643	4.2
119.08571	3.0
131.08604	1.8
145.10074	2.7
167.07036	4.1
181.04996	6.3
182.15352	2.1
185.84918	1.6
195.06580	3.3
221.28169	2.0
253.11601	2.5
253.14030	8.7
271.12283	3.2
274.97635	3.6
310.11102	1.7
329.85809	2.0
415.19437	100.0
416.19855	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	415.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	13.5
69.88715	7.7
79.05479	3.4
84.04492	5.2
94.11161	2.3
98.97572	15.1
107.08636	2.7
116.98643	6.7
121.10079	2.9
123.04369	3.4
130.04982	3.4
131.85095	2.4
147.07672	3.3
158.99641	3.1
193.26479	2.6
235.10089	6.2
238.12671	2.6
241.11134	7.4
253.11079	57.6
253.13536	4.3
259.12125	8.2
271.12115	30.6
279.93866	2.6
295.12106	5.8
415.16446	100.0
416.16721	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1762
Annotation	FO 608B
Peak:m/z	Relative Intensity
52.98566	0.8
56.96556	1.0
58.94469	1.0
71.45029	0.9
73.04743	1.0
79.05495	1.3
86.54124	0.8
91.05446	7.1
93.07040	1.3
104.06223	1.6
107.08582	1.1
114.46928	0.8
117.07006	2.6
119.08558	100.0
120.08932	1.5
131.07251	0.9
135.42693	0.9
165.16830	0.9
175.85782	0.9
185.36708	0.8
315.16418	1.0
333.17072	1.4
344.97440	1.6
355.15576	4.6
373.16388	6.9
397.16553	66.7
398.16809	4.1
415.17444	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	415.1934
Annotation	SU 11652
Peak:m/z	Relative Intensity
51.69838	0.5
56.27719	0.5
67.05479	0.7
67.72305	0.6
69.03415	1.9
70.06572	0.8
79.05490	0.6
85.02881	0.6
86.09707	1.4
93.06992	0.5
95.08617	0.6
97.81739	0.5
98.97597	1.0
105.07020	0.6
107.04965	0.6
113.00555	0.8
116.98630	1.1
124.92873	0.6
130.98392	0.5
137.05962	0.9
167.07007	1.0
181.04930	0.6
183.04720	1.2
201.05493	0.5
203.05292	0.6
239.10902	2.1
241.03836	0.5
253.14102	10.4
257.20938	0.6
274.97449	2.0
292.98477	0.7
371.20438	0.7
415.19354	100.0
416.19760	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	415.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34132	0.3
62.37746	0.3
69.03406	0.4
69.07047	0.3
69.23203	1.4
70.06567	0.6
72.08142	0.9
75.29043	0.2
79.05452	0.5
79.37256	0.3
81.07042	0.4
85.02876	0.4
86.09697	2.2
86.10172	0.4
91.05453	0.5
93.07022	0.5
95.08588	0.4
105.06990	0.3
107.04983	0.3
107.08584	0.3
109.10120	0.4
119.08534	0.3
123.04358	0.3
126.13316	0.3
126.24453	0.3
129.06628	0.3
135.04312	0.3
137.05861	0.3
151.03850	0.3
153.05428	0.6
161.05997	0.2
169.04929	0.4
171.68582	0.2
175.07518	0.7
181.04929	1.0
219.10118	0.7
253.14124	1.2
415.19281	100.0
416.19760	6.5
437.89807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1935
Annotation	SU 11652
Peak:m/z	Relative Intensity
69.03413	0.5
70.06594	0.4
72.08141	0.8
81.07047	0.4
85.02895	0.8
86.09698	1.5
93.07031	0.7
97.02892	0.4
105.06992	0.4
112.71722	0.3
123.04404	0.4
127.03905	0.4
133.10112	0.5
137.05960	0.3
153.05478	0.8
169.04991	0.6
181.04906	1.0
210.43442	0.3
219.10194	0.7
253.14116	0.8
415.19281	100.0
416.20020	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	415.1937
Annotation	SU 11652
Peak:m/z	Relative Intensity
56.96558	1.5
60.33951	0.7
67.05513	0.9
69.03417	0.9
77.03806	0.8
79.05521	1.0
81.07043	1.1
87.05546	0.8
91.05859	0.9
95.04943	1.6
98.97562	1.9
103.11478	0.8
104.05937	0.8
105.07050	2.0
107.04932	1.0
114.71187	0.7
116.98649	1.8
119.08572	1.8
121.10155	1.1
131.08588	1.1
134.99637	1.0
137.06018	1.0
145.10135	2.4
147.07996	0.9
148.60184	0.9
158.92436	0.7
167.07133	1.4
181.05013	2.5
195.06555	1.1
241.11113	1.3
253.11456	1.9
253.14078	10.3
259.12204	1.1
271.12247	2.7
274.97562	1.3
277.15433	1.0
292.98676	0.9
344.97614	1.2
351.49393	0.8
397.24698	1.6
415.19388	100.0
416.19666	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	415.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28135	1.4
50.35955	1.3
53.03930	2.3
55.05507	9.3
57.03424	7.6
57.07060	3.7
67.05496	51.5
67.05862	3.0
69.07059	10.8
69.28898	2.5
69.29296	7.0
79.05486	47.3
81.07047	56.5
82.07355	1.4
83.08643	6.9
85.06527	2.6
91.05450	28.0
93.07033	59.1
95.04946	6.5
95.08595	43.7
97.06518	3.3
97.10156	2.8
98.22668	3.3
98.98454	88.8
99.08043	3.0
103.05408	2.0
104.10703	2.8
105.04510	2.1
105.07010	23.5
107.08579	43.2
109.06503	2.2
109.10131	21.2
111.08086	2.8
116.99446	1.7
117.07011	12.4
119.08566	90.8
120.08895	2.9
121.10127	37.0
123.11666	8.0
125.09612	1.6
125.45071	1.4
131.08553	24.8
133.10127	14.6
135.11678	31.1
137.09581	2.4
137.13242	5.5
139.11185	1.7
145.10112	14.5
147.11708	11.1
149.09589	1.8
149.13237	25.3
151.11172	1.4
153.12686	1.7
155.01021	86.2
159.11676	15.6
161.13216	9.9
163.11215	2.4
163.14792	16.8
165.12665	1.7
173.13234	14.7
177.16423	3.6
179.14262	2.8
187.14795	7.7
191.14369	2.5
201.16365	4.4
233.22606	4.2
243.21045	29.8
244.21501	1.8
261.22098	100.0
262.22424	7.0
343.36734	1.6
344.97549	1.6
408.80194	1.5
415.22238	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	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	2.3
58.06591	100.0
59.06937	0.8
69.07062	2.0
69.57043	1.8
70.02438	0.6
81.07038	1.3
86.09698	7.0
89.92757	0.5
91.05457	10.2
93.07107	0.7
98.09701	1.1
98.23441	1.1
98.97585	1.0
105.07077	0.7
110.52010	0.5
113.07141	1.5
114.09181	1.5
115.05473	1.0
115.08707	2.2
116.98601	0.9
117.05750	1.0
119.08543	0.6
129.07004	0.8
130.06532	1.3
132.08070	20.0
142.08670	0.6
144.08075	0.8
146.09593	3.4
153.38167	0.5
158.09615	0.7
160.07608	1.4
169.13356	0.5
171.09227	1.9
171.14903	14.0
173.10828	0.8
178.83539	0.5
188.07088	2.2
188.11897	1.1
189.10208	10.8
198.10271	0.7
199.14371	8.5
200.11797	1.6
210.16092	1.7
217.09709	7.1
238.15463	5.4
239.15500	1.7
256.18057	14.1
274.97662	2.0
284.17575	1.7
301.15564	1.7
302.14978	8.4
302.18231	1.0
312.17001	24.7
313.17529	1.2
316.49860	0.6
327.17130	0.9
330.18036	7.8
344.97565	0.8
358.21210	7.7
397.22351	0.7
415.23392	12.5
416.23322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
59.05013	0.3
60.04515	0.3
67.85323	0.2
69.03438	0.2
69.07024	0.2
69.54818	0.6
70.06586	0.7
72.08137	1.5
73.02896	0.2
73.06555	1.6
73.20201	0.2
74.06052	0.5
79.05452	0.2
84.01207	0.2
84.08135	0.3
84.46677	0.2
85.02883	0.2
85.15459	0.2
86.09695	2.2
87.04459	5.7
88.04784	0.2
89.06021	100.0
90.06349	1.2
90.45132	0.2
91.05441	0.3
91.07586	0.5
97.02869	0.2
98.23427	0.2
98.97580	0.2
102.17712	0.2
107.07061	2.3
107.08567	0.2
114.09140	0.5
116.07085	0.9
117.09161	0.6
120.08087	0.2
129.42435	0.2
130.08662	0.6
131.07024	1.2
133.02832	0.4
133.08588	48.5
134.08900	0.9
136.07625	0.4
137.05983	0.7
142.08719	0.2
151.09650	0.3
164.82748	0.2
167.07039	0.3
175.09712	0.4
177.11205	9.7
179.07062	0.3
181.04895	0.3
187.10770	0.3
195.12372	0.2
216.12241	0.2
219.97900	0.2
221.13855	0.8
239.14819	0.6
274.55237	0.2
274.97559	0.3
283.17508	0.4
292.98175	0.3
296.92645	0.2
302.14249	0.2
312.05762	0.2
327.20184	0.4
371.22971	0.5
415.13950	0.9
415.25504	0.3
416.13464	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	415.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01841	0.8
55.05257	0.8
55.05503	11.4
57.03431	3.1
57.07069	5.7
65.03902	0.6
67.05158	0.6
67.05495	8.3
68.99775	0.8
69.03421	0.4
69.07059	14.8
70.07402	0.4
71.04983	0.9
71.08620	3.0
71.42142	0.4
79.05479	5.2
81.07044	12.2
83.04959	0.4
83.08607	10.7
85.06541	0.5
85.10157	1.3
87.00290	0.4
87.00817	7.6
91.05456	7.4
92.05795	0.4
93.07037	5.8
95.04961	1.1
95.08588	7.9
97.06532	2.6
97.09580	0.7
97.10154	7.7
97.11874	0.4
98.97574	0.6
99.08076	0.4
101.06062	0.5
103.05451	0.9
104.06262	0.8
105.01835	2.1
105.15210	0.4
107.02841	0.4
107.08578	5.0
109.06525	0.6
109.10143	3.3
111.08047	1.8
111.11714	1.3
115.03913	0.4
117.06991	1.8
119.08559	100.0
120.08875	2.9
121.10131	6.1
123.08140	0.4
123.11668	2.4
125.09605	1.4
129.09126	0.4
133.06474	1.4
133.36595	0.4
135.08031	0.4
135.11662	4.6
137.13234	1.4
139.07568	0.5
139.11124	1.2
143.03387	1.4
149.13211	3.2
153.12683	0.8
155.01100	0.4
159.11581	0.4
163.14783	1.4
167.14319	0.5
171.13680	0.5
173.13113	0.4
185.15448	0.5
213.54938	0.4
219.21042	6.7
224.04691	0.4
237.22078	16.0
238.22444	0.7
243.21024	1.0
255.23149	11.7
256.23413	0.5
261.22000	0.6
274.97391	0.8
277.21619	0.7
279.23126	0.9
288.33136	0.4
311.25711	1.3
323.22211	2.7
329.26843	1.8
341.23148	1.7
397.25760	1.4
415.27142	6.7
416.26779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08275	0.8
55.01862	1.3
55.05260	1.8
55.05509	25.5
57.03430	8.0
57.07071	13.2
59.05029	0.7
63.43253	0.9
67.05498	18.9
68.99767	1.2
69.07062	36.7
69.36108	3.7
71.04973	2.2
71.08627	6.8
75.04507	0.9
76.33311	0.8
79.05487	9.3
81.06561	1.3
81.07049	25.9
83.04973	2.2
83.08119	1.3
83.08614	23.6
85.10159	4.5
87.00827	15.5
91.05456	9.9
93.07030	12.9
95.04961	1.0
95.08601	18.8
97.06518	5.2
97.10162	15.8
97.17779	0.8
99.08060	1.5
104.06271	1.0
105.01842	4.8
105.07037	1.5
107.08577	9.4
109.10143	9.2
111.08081	3.4
111.11704	4.8
113.09618	1.2
115.07499	1.0
117.06998	1.9
119.08568	100.0
120.08916	2.8
121.10125	11.6
123.11696	6.4
125.05982	2.0
125.09631	2.3
125.13233	1.7
132.92169	0.9
133.10136	1.2
135.11681	11.2
137.13237	2.9
139.07487	2.3
139.11197	2.7
143.03391	2.2
143.10672	1.3
145.10114	1.0
147.04341	2.5
149.13222	7.3
151.14737	0.8
153.12726	2.2
163.14835	3.9
167.10606	1.0
167.14328	1.2
171.13651	1.0
177.16335	1.6
181.12119	1.2
181.15868	1.2
185.15355	1.1
191.39142	0.9
192.35040	0.8
199.40700	0.7
203.70258	0.8
214.07082	0.8
217.19482	0.9
219.21059	15.6
220.21355	1.0
237.22101	42.4
238.22536	2.2
243.21118	1.2
255.23152	28.7
261.22162	1.8
277.21594	1.5
279.23166	2.7
280.07373	0.8
290.30023	0.9
292.98477	1.3
295.22446	1.5
297.24438	0.9
311.25693	2.3
323.22180	6.4
329.26825	6.5
341.23190	6.6
371.27576	1.2
397.25977	5.8
415.26999	16.8
416.27271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
67.05511	1.7
67.73254	0.9
69.32896	4.4
70.06588	1.7
78.33456	1.0
79.05480	2.8
86.09699	2.4
91.05450	5.0
93.07063	1.7
95.04985	5.7
103.05460	9.2
104.04970	5.6
105.03430	1.8
105.04494	1.4
105.07034	4.6
107.04980	1.6
107.08595	1.2
109.02870	2.6
109.06469	1.2
111.04433	2.0
115.05478	4.8
117.06997	8.8
119.08586	1.8
120.08076	1.7
121.02827	1.3
121.06508	2.5
122.03665	1.0
122.06047	10.1
123.04435	4.9
125.05987	12.8
126.03132	4.4
128.06209	2.5
129.06984	10.5
130.06532	1.6
131.04907	5.8
131.08568	6.7
132.04449	11.3
133.06474	3.8
135.04382	1.6
137.05930	3.2
138.03107	1.6
139.03880	3.7
141.05458	25.9
141.07013	4.2
143.04903	1.1
143.08461	1.9
144.05705	1.1
144.08035	1.0
145.06462	25.3
146.05908	1.8
147.04306	1.0
147.08034	3.9
148.07553	6.0
150.05528	5.3
151.07530	1.5
153.05453	3.0
155.04930	2.5
155.06013	1.5
155.07094	1.4
156.08090	2.7
157.06480	14.2
159.04393	2.4
159.08057	8.8
160.07562	2.6
161.05934	5.7
163.07504	1.8
165.02835	1.0
166.08669	3.7
167.07031	4.7
169.04947	36.0
169.06415	2.1
170.05685	3.7
171.06520	4.4
172.07555	4.0
173.05937	6.5
174.06798	1.3
174.09123	2.4
175.07574	4.5
176.07033	1.2
177.09085	1.4
179.07042	1.9
181.04941	33.5
181.06264	1.3
181.08490	1.7
183.06511	1.1
184.07550	5.0
185.05963	8.3
187.07513	7.9
189.05428	1.5
191.03139	1.1
195.06505	3.4
197.04433	4.2
200.06996	2.2
201.05421	5.2
202.08636	3.4
203.07016	7.5
205.08534	5.7
207.06476	8.5
208.03645	3.4
209.04434	2.2
213.05481	4.2
218.08160	4.1
219.06288	1.1
221.08020	12.5
223.05965	8.2
229.04903	1.9
230.08018	2.7
231.06435	4.9
246.07614	4.0
248.09193	6.3
251.05377	11.7
253.14053	2.0
254.14452	3.0
262.06299	1.3
265.06937	2.2
267.08554	8.6
277.05270	1.0
277.08560	1.6
278.05560	1.5
278.09021	1.2
279.06543	1.8
280.07233	1.5
294.08536	1.4
295.09665	2.3
296.09888	1.0
297.07687	1.1
309.11081	2.4
311.08932	1.5
313.10623	1.7
315.51834	1.1
325.10620	2.6
327.12091	1.9
339.08679	2.0
353.10129	5.9
355.11890	1.9
356.11282	1.7
370.12854	3.6
371.11282	2.2
381.09512	1.7
398.12158	2.4
399.10794	2.8
416.13403	100.0
416.18655	3.6
417.13541	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	416.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
67.05511	1.7
67.73254	0.9
69.32896	4.4
70.06588	1.7
78.33456	1.0
79.05480	2.8
86.09699	2.4
91.05450	5.0
93.07063	1.7
95.04985	5.7
103.05460	9.2
104.04970	5.6
105.03430	1.8
105.04494	1.4
105.07034	4.6
107.04980	1.6
107.08595	1.2
109.02870	2.6
109.06469	1.2
111.04433	2.0
115.05478	4.8
117.06997	8.8
119.08586	1.8
120.08076	1.7
121.02827	1.3
121.06508	2.5
122.03665	1.0
122.06047	10.1
123.04435	4.9
125.05987	12.8
126.03132	4.4
128.06209	2.5
129.06984	10.5
130.06532	1.6
131.04907	5.8
131.08568	6.7
132.04449	11.3
133.06474	3.8
135.04382	1.6
137.05930	3.2
138.03107	1.6
139.03880	3.7
141.05458	25.9
141.07013	4.2
143.04903	1.1
143.08461	1.9
144.05705	1.1
144.08035	1.0
145.06462	25.3
146.05908	1.8
147.04306	1.0
147.08034	3.9
148.07553	6.0
150.05528	5.3
151.07530	1.5
153.05453	3.0
155.04930	2.5
155.06013	1.5
155.07094	1.4
156.08090	2.7
157.06480	14.2
159.04393	2.4
159.08057	8.8
160.07562	2.6
161.05934	5.7
163.07504	1.8
165.02835	1.0
166.08669	3.7
167.07031	4.7
169.04947	36.0
169.06415	2.1
170.05685	3.7
171.06520	4.4
172.07555	4.0
173.05937	6.5
174.06798	1.3
174.09123	2.4
175.07574	4.5
176.07033	1.2
177.09085	1.4
179.07042	1.9
181.04941	33.5
181.06264	1.3
181.08490	1.7
183.06511	1.1
184.07550	5.0
185.05963	8.3
187.07513	7.9
189.05428	1.5
191.03139	1.1
195.06505	3.4
197.04433	4.2
200.06996	2.2
201.05421	5.2
202.08636	3.4
203.07016	7.5
205.08534	5.7
207.06476	8.5
208.03645	3.4
209.04434	2.2
213.05481	4.2
218.08160	4.1
219.06288	1.1
221.08020	12.5
223.05965	8.2
229.04903	1.9
230.08018	2.7
231.06435	4.9
246.07614	4.0
248.09193	6.3
251.05377	11.7
253.14053	2.0
254.14452	3.0
262.06299	1.3
265.06937	2.2
267.08554	8.6
277.05270	1.0
277.08560	1.6
278.05560	1.5
278.09021	1.2
279.06543	1.8
280.07233	1.5
294.08536	1.4
295.09665	2.3
296.09888	1.0
297.07687	1.1
309.11081	2.4
311.08932	1.5
313.10623	1.7
315.51834	1.1
325.10620	2.6
327.12091	1.9
339.08679	2.0
353.10129	5.9
355.11890	1.9
356.11282	1.7
370.12854	3.6
371.11282	2.2
381.09512	1.7
398.12158	2.4
399.10794	2.8
416.13403	100.0
416.18655	3.6
417.13541	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	416.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.1
58.82761	1.0
60.12315	0.9
67.05498	1.6
68.99790	2.2
71.04983	2.3
74.53728	0.9
79.05489	3.3
83.06614	1.0
84.08144	1.3
86.09697	9.8
87.83661	1.0
89.06013	1.1
91.05450	6.0
93.07041	1.4
95.04966	5.4
99.04437	7.4
103.05464	7.9
104.04979	9.0
105.04507	2.1
105.07025	3.6
107.04933	1.8
109.02837	1.5
109.06567	1.0
110.03648	3.5
111.00791	4.1
111.04487	1.2
115.05453	3.2
117.07005	9.5
118.06533	1.3
119.04977	1.1
120.08138	2.0
121.02841	1.8
121.06492	2.6
122.06026	9.7
123.04454	2.5
125.05996	7.3
126.03107	7.1
128.06235	3.7
129.06992	10.5
129.10136	1.0
130.06551	1.5
131.04936	4.4
131.08559	9.2
132.04437	13.1
133.02863	1.2
133.06494	2.9
139.03880	2.6
139.05421	1.5
141.05452	38.1
141.07002	5.3
143.04857	1.5
143.08519	1.8
144.05713	1.5
145.06473	25.6
147.04419	1.9
147.08028	3.0
148.07535	6.8
149.05942	1.6
150.05479	5.2
151.06340	1.2
151.07529	2.5
153.05490	9.0
154.06224	1.8
155.03397	1.9
155.07008	2.0
156.08076	2.9
157.06488	12.2
158.07251	1.1
159.04352	1.2
159.08047	10.7
160.07510	1.6
161.05986	3.3
163.03888	1.5
163.07532	1.0
166.08633	5.4
167.07063	4.1
169.04959	72.0
169.06201	2.5
170.05669	2.9
172.07458	1.6
173.06036	2.7
175.07558	4.0
177.09135	2.3
179.07042	3.0
181.04955	26.1
181.08542	5.3
183.06607	1.6
184.07558	6.9
185.05936	10.9
186.09116	1.3
187.07538	14.0
193.04962	1.4
195.06497	2.0
202.08632	4.0
203.06985	5.9
205.06761	1.6
205.08589	6.3
207.06502	8.9
209.04414	4.7
209.22990	0.9
212.07082	1.0
213.05530	4.3
221.08015	5.7
223.05998	2.9
225.07635	3.0
229.04851	1.3
230.08052	4.8
231.06540	6.0
235.07573	1.0
248.09108	7.6
252.06314	3.4
267.08606	5.6
271.05942	13.8
283.09610	1.4
290.09070	1.1
295.09470	1.4
311.08969	2.1
318.08090	1.5
324.65875	1.0
325.10822	1.1
335.08978	1.2
349.42197	1.0
353.10019	1.5
370.13123	2.1
382.10071	1.1
416.13385	100.0
417.13556	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	416.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20454	1.5
59.39999	1.7
68.99766	1.9
69.03426	1.6
70.49188	1.6
70.49503	2.7
72.08139	2.2
73.02897	1.6
79.05481	3.7
86.09709	5.0
89.74841	1.6
91.05474	4.8
93.07052	2.0
95.04974	3.7
103.05463	4.8
105.07026	5.1
107.04974	1.7
119.04897	4.0
121.06515	6.7
122.06038	2.8
131.04869	8.1
133.06461	4.0
134.06004	1.7
135.04405	6.6
136.07558	2.3
138.10757	1.6
141.07011	4.4
146.06010	6.1
147.04387	4.4
149.05968	100.0
159.04457	6.9
161.05978	9.7
164.07085	2.7
165.07024	5.3
167.06946	1.7
175.22604	1.6
176.04666	6.9
177.05461	47.6
178.06326	2.9
178.07800	11.5
178.09250	1.4
179.03377	1.8
179.08534	13.5
181.10100	2.7
181.24368	1.8
189.06987	8.5
190.07722	2.8
191.07037	55.2
191.08595	3.8
192.04155	2.1
192.05751	1.9
193.04903	1.9
193.06512	2.7
193.10175	3.8
194.05763	3.1
195.08090	2.5
202.07770	4.0
203.08589	5.6
204.04254	2.4
205.04953	12.8
205.06535	3.7
206.07298	8.3
207.06453	3.4
207.08080	30.2
208.08432	1.7
208.32823	2.0
208.45981	1.6
217.06488	7.0
218.07298	10.9
219.06396	4.4
219.08142	4.4
220.05246	3.9
220.08847	2.0
221.06168	3.0
221.09659	6.2
222.05176	14.4
231.08011	10.2
233.06035	3.3
234.06711	22.1
235.07648	28.7
237.05371	2.9
237.07410	11.6
246.06799	6.5
247.07552	12.0
248.08340	4.0
249.05408	2.6
249.09222	12.3
250.06311	1.6
252.06294	2.5
259.07755	1.6
262.06253	10.8
263.07028	33.0
264.07718	6.8
265.04816	2.4
265.07083	39.2
265.09601	3.1
267.08823	1.8
273.81818	1.8
274.06149	4.6
275.07004	2.2
276.07883	3.6
277.05463	2.7
277.08572	42.0
278.09286	3.7
279.06589	2.9
279.10040	6.5
280.07486	8.6
291.06381	1.9
291.10034	5.5
292.07355	3.4
293.08206	3.2
294.08884	2.8
295.09628	52.8
296.10300	4.6
302.05832	2.3
305.08206	2.9
307.09576	23.9
308.09933	3.1
309.11176	33.9
310.11639	3.0
311.09036	2.3
311.12650	2.2
321.07373	2.8
323.09183	5.2
325.10678	2.8
335.09064	4.9
337.10715	3.3
337.51483	1.6
352.11816	4.7
353.10168	5.0
363.08606	9.2
376.94934	1.7
398.12396	2.6
416.13370	90.7
417.13306	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	416.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01857	3.6
56.87228	1.1
57.03428	2.3
61.02936	4.8
65.03931	1.3
67.05497	3.1
69.03414	11.6
69.07059	10.2
70.06583	2.0
71.04980	2.6
72.08160	1.6
73.02905	4.1
73.06538	2.0
77.03916	1.5
79.05483	20.2
81.03406	7.3
81.07057	1.1
81.16579	1.1
83.05006	1.1
84.08105	1.1
85.02895	35.0
85.03409	1.8
86.03241	1.3
86.09705	5.8
87.04465	1.7
89.06006	2.0
91.03947	1.7
91.05487	3.5
93.07034	1.4
95.04968	9.5
97.02873	12.5
99.04456	2.7
103.05449	2.3
105.03397	1.9
105.04519	1.8
105.07018	2.4
107.04948	9.6
109.02853	4.9
109.06474	1.1
115.05431	1.5
117.07001	1.4
119.04933	1.9
121.02814	1.5
121.06516	5.5
121.63809	1.1
123.04417	55.9
125.05993	11.9
127.03925	6.7
129.07031	1.2
131.04903	1.6
132.04434	2.1
133.02823	6.9
133.06462	2.2
134.53038	1.2
135.03357	1.8
135.04402	33.5
135.05386	1.2
135.08009	2.0
136.04707	1.2
137.05960	3.0
141.05464	2.7
141.06953	1.0
143.11789	1.3
145.04932	7.0
145.06430	3.2
145.10103	5.3
147.04414	3.2
147.07948	1.2
148.03926	2.5
149.05972	6.9
151.03886	18.1
151.07506	1.5
153.05452	58.1
157.06461	2.3
159.07976	1.6
160.05188	1.3
161.05934	5.6
161.09628	2.4
163.03899	22.1
163.07487	3.0
165.05516	5.6
167.07085	5.4
169.04950	45.4
170.05388	1.3
171.06412	1.3
173.06035	1.8
173.09601	9.0
175.07542	1.9
175.11205	2.6
177.05463	2.5
179.06984	7.0
180.08635	1.6
181.04939	58.3
182.05299	2.6
187.07527	2.0
189.05429	1.1
189.09052	1.4
190.06242	1.1
191.07051	2.9
191.10643	100.0
192.10965	5.5
194.07184	1.1
201.09192	5.9
203.06941	2.0
203.10674	2.9
205.08540	1.8
207.06520	4.0
218.01898	1.1
219.10129	56.7
220.10408	2.8
227.79579	1.1
234.05087	1.7
236.05464	1.5
237.08885	2.3
237.11179	25.4
247.09843	1.4
249.07492	12.7
263.06873	1.4
279.06329	1.0
307.09506	2.0
321.07516	2.3
331.05731	2.1
337.10599	1.4
349.06903	1.3
353.09772	1.2
369.94153	1.2
381.09164	2.2
415.22662	1.1
416.13184	8.3
416.18408	1.6
416.23425	3.8
417.11389	1.6
417.16028	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34891	1.9
54.24381	2.2
55.01876	2.7
61.02905	3.5
67.05486	4.5
69.03417	4.4
69.07059	19.0
69.79559	7.2
73.06568	3.2
77.03921	2.7
78.04710	3.8
79.05471	9.6
81.03415	2.6
81.07044	5.6
84.08125	9.5
85.02894	19.5
91.03910	2.4
91.05468	9.6
93.07018	3.4
95.04945	15.8
97.02868	6.2
99.30855	2.4
103.05454	11.5
104.06257	11.4
105.03414	2.5
105.07020	19.5
107.04928	17.4
107.08572	2.7
109.10204	2.5
115.05447	8.2
117.03403	4.5
119.04850	3.1
121.06499	4.4
123.04418	82.3
125.05982	14.8
127.03928	2.2
131.04915	40.5
132.05704	48.1
133.02844	8.6
133.06493	16.3
135.04390	50.4
135.07976	2.9
137.05994	5.9
145.10081	3.2
147.04384	3.2
148.05170	2.4
149.05962	12.4
149.09636	2.1
151.03876	18.4
153.05446	100.0
160.05171	17.5
161.02303	4.2
161.05960	48.4
163.03889	26.5
163.07504	3.3
165.05470	14.2
166.76831	2.1
167.06999	33.2
169.04927	65.7
173.06036	3.1
173.09575	6.8
175.07520	10.7
175.11128	4.6
176.08191	2.1
177.05428	14.4
179.03427	10.7
179.07031	13.0
179.72879	2.2
180.07709	7.3
181.04933	87.9
181.08463	2.6
182.05225	4.8
182.09305	2.6
191.03365	3.6
191.06990	10.9
191.10637	57.8
192.07797	31.1
192.10938	3.7
193.04781	2.4
193.08614	3.9
194.41399	2.1
201.08992	2.9
207.02898	16.7
209.04424	5.9
209.08130	3.4
219.10136	48.0
221.04382	5.8
223.05952	3.7
237.11203	24.4
253.83353	2.6
263.05411	2.9
307.05838	2.3
367.08038	65.8
387.10315	4.5
399.10303	4.6
416.13843	7.5
416.38663	4.5
417.11008	12.2
417.15143	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	416.206
Annotation	Alpinine
Peak:m/z	Relative Intensity
54.86450	0.5
55.01854	1.2
55.03542	0.4
55.05485	0.5
68.60345	0.4
69.03449	0.5
69.07018	0.5
69.67270	1.7
70.06555	0.5
74.09687	0.8
74.94278	0.4
77.03947	0.5
79.05479	0.9
80.04988	0.8
81.07059	0.7
82.06551	0.5
83.01312	0.6
91.85374	0.5
93.07053	0.8
94.06563	0.7
95.08576	0.6
95.29129	0.5
97.06532	0.6
99.04446	1.8
105.06992	0.9
107.24634	0.4
120.08099	1.2
125.05937	0.6
130.06480	0.6
133.10039	0.6
133.69290	0.5
134.09608	2.7
136.11197	3.1
140.78792	0.6
145.08876	0.5
145.10123	0.7
148.11197	0.6
158.09595	0.5
160.11099	0.9
162.12773	8.0
163.13448	0.5
164.10712	1.3
167.07094	0.7
172.11197	1.6
173.09628	0.7
174.12759	7.8
175.13544	1.3
176.10709	1.3
186.12790	1.8
190.12238	9.6
191.13034	0.5
200.10732	1.7
202.12253	1.2
210.12610	0.7
214.12257	1.7
216.13858	1.4
218.11760	0.7
226.12196	0.7
228.13733	0.5
232.13295	1.0
234.14699	0.6
240.13800	1.3
242.15416	2.2
244.13306	0.8
256.13214	1.8
258.14896	1.1
260.16397	0.7
261.17130	0.6
268.13345	0.9
270.14932	1.6
272.16397	2.2
273.17239	1.9
274.14697	0.9
274.17960	1.6
282.17548	0.7
284.12766	0.9
286.14288	1.0
288.15909	7.4
289.16656	11.0
290.17264	1.3
300.15753	1.2
302.13879	1.1
310.14487	0.8
318.16937	0.6
328.15347	0.6
340.19098	1.2
342.16968	6.0
355.17941	0.9
356.18475	0.7
356.24420	0.6
360.21494	0.8
372.21759	1.1
388.21222	5.3
394.76044	0.5
398.19583	8.1
415.29279	3.9
416.20621	100.0
416.28787	7.6
417.20880	7.3
429.93436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06684	2.4
52.92865	2.5
53.03942	2.8
55.01857	5.6
55.05502	23.9
57.03424	10.0
57.07073	35.2
61.02924	6.3
61.43050	2.4
67.57162	2.6
68.27894	2.5
69.03420	24.0
70.06580	9.3
71.41161	2.4
72.08152	15.8
73.02909	24.9
81.03398	5.7
84.08113	7.2
84.92667	2.4
85.02898	43.4
86.09703	15.8
87.08096	72.8
97.02881	34.9
99.04461	2.7
105.09130	100.0
109.02878	7.3
110.07182	2.8
115.03927	11.9
116.05043	3.4
121.35322	2.4
127.03876	15.7
129.10254	6.1
133.04971	13.6
134.03590	4.0
137.05920	3.8
144.02368	2.6
145.04948	19.2
146.92117	2.6
151.06262	6.4
156.31760	2.6
163.05992	8.4
181.04962	4.3
241.07051	4.2
259.08026	7.2
345.97141	2.8
363.64569	2.8
416.12479	39.2
417.12683	11.7
434.46661	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	416.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64714	8.5
67.05494	26.0
69.07050	12.7
74.74257	8.5
79.05497	15.8
81.07057	30.8
82.07420	9.3
91.05420	11.8
93.07041	26.7
95.08611	23.7
98.98460	46.8
107.08592	14.8
109.10144	13.0
119.08573	100.0
120.08887	73.2
139.28513	10.0
149.13228	13.3
155.01050	29.0
183.27946	8.5
191.69200	8.8
262.22537	34.7
342.21033	14.1
349.11877	9.6
416.18134	11.8
416.37289	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	416.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.3
67.05487	23.3
69.07063	11.4
70.64374	18.0
73.25620	7.9
78.11031	7.5
79.05473	12.9
80.13074	8.4
81.07056	29.4
91.05467	16.4
93.07030	25.2
94.07375	15.1
95.08610	20.7
96.08903	12.1
96.33900	8.1
98.98463	31.8
106.50765	8.1
108.08896	12.3
109.10136	13.6
119.08554	100.0
120.08868	58.5
149.13306	10.1
155.01041	24.1
174.13545	9.9
244.21480	11.6
262.22495	38.0
279.86752	9.2
342.21036	20.7
360.13379	14.1
416.37299	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	416.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08273	0.6
60.05641	47.2
67.05492	4.7
69.07059	15.9
69.07436	1.0
69.47917	3.6
72.05621	2.4
79.05474	4.4
81.07048	5.5
81.94199	0.7
83.08519	0.7
84.08136	5.1
86.09691	1.2
90.08808	0.7
91.05457	9.5
92.05781	0.7
93.07033	17.9
95.04962	2.3
95.08600	8.5
98.23476	1.4
105.04503	1.7
105.07024	2.8
107.08574	12.5
109.06519	1.0
109.10124	1.9
119.08569	18.2
120.08883	9.3
121.10157	0.9
126.10287	1.4
128.11824	17.6
132.58202	0.7
135.11679	1.1
140.11842	1.3
147.11768	0.8
175.40901	0.7
194.16479	0.8
196.18053	12.3
280.23932	0.9
293.21246	1.1
306.27933	2.0
348.30066	2.2
375.19946	1.2
416.36295	100.0
417.36563	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	416.9866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24805	1.2
54.31810	1.3
56.96563	11.9
57.99539	1.2
69.48434	5.0
93.07009	1.5
98.97569	88.6
116.98608	53.8
134.99638	26.5
153.00670	2.1
172.94356	4.4
177.01028	1.5
183.00494	1.5
190.95425	4.0
192.98882	2.2
208.96501	1.8
214.95479	2.5
216.98962	1.8
219.02068	2.1
219.42125	1.5
232.96498	9.3
234.99973	4.9
236.00081	2.1
236.99684	3.8
250.97720	4.1
256.96411	13.3
257.96762	2.0
258.97009	2.7
258.99854	22.2
260.00037	10.0
260.99771	7.8
261.03073	6.1
263.02875	2.1
267.68704	1.6
274.97470	100.0
275.97919	4.2
276.97549	8.2
277.00891	21.9
278.01022	8.1
279.00677	8.0
280.00940	1.5
282.99927	17.0
284.00031	10.0
284.99747	11.2
285.99893	2.8
292.98508	55.9
293.99063	2.1
294.98703	5.7
298.97812	3.7
299.97876	2.7
300.97726	2.4
301.00949	28.4
302.01074	16.6
303.00815	13.1
304.00980	5.1
305.00894	1.8
313.39429	1.6
316.98697	6.1
317.98975	3.2
318.98544	5.1
319.02249	2.2
341.93716	1.5
398.97549	5.5
401.01022	3.1
403.01105	2.2
416.98785	10.1
417.98370	2.0
425.01114	5.5
426.01337	5.8
427.00943	5.4
428.01300	2.4
434.94925	1.7
443.02350	13.5
444.02359	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	417.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	36.0
66.65276	1.2
69.03418	2.0
70.06567	1.8
70.75256	2.5
70.98113	20.5
72.08135	3.7
80.72659	1.1
84.08114	1.4
84.96032	13.9
85.02882	2.6
86.09703	3.4
88.99171	7.5
93.05543	1.4
97.96779	1.7
98.97573	45.2
102.97052	1.5
105.07034	2.1
105.68999	1.1
107.00253	1.2
110.97556	23.1
112.99119	2.9
113.28568	1.2
116.98620	21.5
124.99161	1.4
128.98589	32.5
129.10258	1.4
131.00182	4.9
133.06485	3.5
134.99640	5.0
137.05966	4.0
140.98566	2.5
143.00131	4.7
144.97998	2.0
146.99638	17.2
149.01208	3.1
150.06723	1.4
157.01778	1.5
158.99622	4.7
161.01207	5.6
162.99068	2.2
165.09099	2.9
169.01694	2.9
170.99673	7.5
177.00728	6.3
181.00121	1.5
187.02765	6.3
189.00746	7.3
194.99620	2.7
197.79340	1.4
201.00723	3.3
207.01797	1.4
213.00656	14.4
215.02264	2.0
219.01732	38.2
231.01738	67.3
232.02084	2.3
237.02795	71.3
243.01791	2.0
249.02814	17.8
255.01730	12.0
255.03925	3.5
259.01196	2.2
269.03070	1.6
273.02744	12.8
285.02753	4.3
297.02734	3.3
309.02841	1.7
315.04123	3.1
329.05338	2.5
357.04874	99.1
358.05161	4.7
375.05930	100.0
376.06265	5.5
417.11746	8.4
417.24747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1177
Annotation	Galangin 3-rhamnoside
Peak:m/z	Relative Intensity
50.13490	0.3
55.01859	0.4
64.51119	0.3
65.03951	0.6
67.01853	0.4
67.36438	0.4
68.24017	0.3
68.99796	0.8
69.40337	1.0
70.06591	0.7
71.04980	0.4
77.03920	0.7
78.04713	0.7
79.05500	1.5
81.03398	0.4
81.07040	0.4
85.02915	0.6
87.78043	0.3
91.05435	2.6
93.07047	0.8
93.55566	0.4
95.04953	4.0
98.22695	0.6
102.73579	0.3
103.05453	2.3
104.06271	1.1
105.03387	1.1
105.07014	2.5
106.04161	0.8
107.04940	2.8
109.06467	0.4
111.04447	0.6
114.22411	0.4
115.05460	1.1
117.03345	0.9
117.07030	0.6
119.04918	3.7
120.02097	0.5
121.02845	1.1
121.06499	1.7
121.90405	0.3
123.04413	3.6
131.04906	5.1
131.05779	0.6
132.05699	4.8
133.02834	3.7
133.06471	3.0
134.03622	0.4
135.04411	1.3
137.05966	0.9
138.03062	0.4
145.02863	0.7
145.06490	0.5
146.03598	0.8
147.00716	0.4
147.04390	1.6
147.89894	0.3
148.01593	0.6
148.05219	0.5
149.02335	1.2
149.05934	2.0
151.03877	1.4
151.07552	1.2
153.01804	5.4
153.05450	0.8
154.06227	1.0
155.07072	0.4
160.04057	0.4
160.05135	2.0
160.35097	0.3
161.02330	2.2
161.05963	5.7
162.03128	0.9
163.03893	2.7
163.07581	0.5
165.01852	0.6
165.05446	2.2
167.07022	10.8
171.02904	0.8
173.05994	0.8
175.07559	1.0
177.01941	0.4
177.05475	2.8
178.02522	0.9
178.06088	0.5
179.03352	4.1
179.06985	2.1
180.07814	3.8
181.04938	2.7
181.08556	1.0
181.10078	0.4
182.09387	1.2
191.06990	1.6
192.04103	0.4
192.07767	3.8
193.04887	1.8
193.08571	1.0
194.02094	0.4
205.04984	0.6
207.02853	4.8
208.03624	0.8
209.04414	2.5
209.08095	0.8
210.08768	2.0
211.09515	0.4
218.02066	0.5
219.02864	0.9
221.04440	4.0
223.06024	1.0
225.05472	0.5
229.05017	0.5
233.04294	2.1
233.07904	0.4
235.09615	0.4
243.06548	0.5
245.04465	0.5
263.05469	3.9
269.16293	0.4
271.05969	100.0
272.06323	4.8
316.42343	0.4
367.08109	5.3
368.08423	0.7
384.08231	0.5
387.10611	0.9
399.10593	1.1
417.11633	20.3
418.11975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1177
Annotation	Melibentin
Peak:m/z	Relative Intensity
52.49535	0.9
55.05507	1.1
55.91382	0.8
65.03931	1.6
67.05492	1.5
69.07056	0.8
77.03931	2.5
78.04700	2.5
79.05477	5.0
80.26863	0.8
81.07052	2.2
81.71439	0.8
89.03944	1.6
89.69833	0.8
90.04682	1.4
91.05470	5.1
93.07040	1.6
95.04953	12.8
95.08611	1.4
102.04661	1.7
103.05460	12.1
104.06257	12.8
105.03410	3.3
105.07026	18.6
106.04163	1.1
107.04958	2.6
107.08595	1.5
109.02901	0.9
109.06503	1.0
109.10187	1.2
114.04636	0.9
114.79955	0.7
115.05439	11.1
117.03397	3.5
117.63512	0.8
118.04197	2.4
119.04940	4.0
119.08538	0.9
120.02095	1.0
121.06507	2.7
123.04416	11.3
130.04150	1.9
131.04910	57.5
132.05696	60.8
133.02832	9.9
133.06483	17.3
133.10071	1.1
134.03581	1.5
135.04427	2.5
137.05946	2.2
143.04967	2.1
143.06015	1.9
145.06509	1.6
146.03600	4.4
147.00687	1.5
147.04366	4.0
148.01602	1.0
148.05167	1.9
149.02370	1.9
149.05989	5.2
151.03920	4.9
151.07588	1.7
153.05508	1.1
154.06235	1.1
155.05997	1.5
159.04390	1.4
160.05168	21.4
161.02344	7.1
161.05957	58.4
162.03162	1.5
162.06619	2.9
163.03928	5.4
163.07547	2.4
165.05484	3.7
167.07013	18.4
167.08304	1.7
173.06027	2.6
175.03957	1.0
175.07535	7.3
176.04747	1.4
177.05461	14.0
178.06178	3.3
179.03395	8.5
179.07021	4.1
180.07747	8.5
181.04974	5.1
181.08607	2.0
182.09396	2.7
191.03291	0.9
191.06999	12.5
192.07779	47.0
193.04929	1.2
193.08585	5.6
207.02849	16.5
208.03490	1.7
209.04408	3.0
209.08112	2.1
210.08913	2.8
211.09581	1.5
221.04301	1.3
223.05977	1.7
228.79591	0.9
233.08081	1.2
235.09671	0.9
236.04648	1.2
250.06219	1.3
251.07085	1.0
255.06483	4.2
264.04260	1.8
279.06473	2.1
306.05255	1.0
307.05997	1.4
309.03857	1.3
321.07330	1.7
335.05801	1.0
339.08661	2.2
349.06992	1.6
352.05853	1.1
367.08069	100.0
368.08505	5.5
384.08392	1.0
387.10355	1.4
399.10666	7.5
417.11462	12.5
417.15982	1.8
417.20477	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	417.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77077	1.0
53.03935	1.2
65.03915	2.0
67.05499	4.0
68.99782	1.8
70.06604	1.4
70.06994	3.1
72.08143	1.8
77.03930	1.4
79.05483	34.4
81.03404	4.8
85.02885	1.5
86.09688	1.1
89.67102	1.1
91.05465	4.8
93.07035	3.3
93.55927	1.0
95.04965	15.7
97.02904	1.9
98.22728	2.1
103.05467	5.9
105.03379	4.8
105.04523	1.4
105.07010	4.8
107.04939	12.5
109.02843	2.1
115.05473	5.9
116.06230	7.7
116.06953	1.6
117.07015	1.3
119.04922	5.9
121.06491	8.0
123.04408	36.6
125.05981	2.2
127.03880	14.5
131.04915	5.1
133.02814	8.9
133.06451	10.1
134.03593	1.9
135.04413	5.0
137.05943	4.6
138.03163	1.6
141.05489	1.5
144.05695	15.4
145.06450	5.1
147.04401	6.9
148.01512	2.6
149.02327	4.5
149.05984	4.9
151.03894	16.0
152.04704	1.3
153.05411	10.2
155.03371	31.3
157.06509	2.1
159.04411	3.7
159.07982	1.2
160.05136	3.9
161.05952	25.1
162.03104	1.5
163.03900	11.0
163.07547	1.6
165.05470	2.3
165.09088	3.4
167.07027	21.7
167.08327	1.0
169.04948	4.7
170.05721	100.0
171.04385	1.5
171.06094	2.3
173.05983	4.6
175.07559	2.1
177.05437	4.0
178.06227	8.0
178.07687	2.2
179.07024	4.1
180.04060	1.4
181.04916	16.5
181.06389	1.6
182.05298	1.1
183.06548	5.1
188.04663	2.8
189.09151	1.3
190.02519	1.4
190.06277	1.7
191.07050	9.5
193.04898	1.2
193.08545	5.6
194.02003	6.2
195.06483	2.8
197.04369	2.1
197.08076	4.7
202.06262	3.8
205.04921	10.2
206.05699	4.3
207.06505	8.2
207.08206	2.0
208.03571	8.2
208.07292	1.4
209.04414	63.7
210.04814	2.1
218.07257	1.3
219.08215	1.4
220.07257	25.2
221.08043	75.4
222.08694	8.9
223.05962	34.1
223.09387	2.4
233.06013	2.1
233.08067	1.6
234.06769	2.3
246.06833	1.6
247.07622	1.6
248.08548	1.8
263.07095	1.5
271.06030	2.8
292.07339	1.6
293.08109	4.5
297.11218	1.6
307.09723	2.6
321.07413	1.6
325.10666	10.1
327.12051	2.0
339.08542	5.2
343.11655	7.4
353.10162	21.1
354.10440	1.6
371.11191	91.2
372.11597	7.8
381.09656	2.1
387.14319	3.4
389.12411	3.8
417.15524	8.1
417.20200	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	417.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
65.03931	2.3
67.05485	3.7
68.99810	1.9
69.03439	1.2
70.06565	1.3
72.08153	1.4
77.03908	1.6
78.04678	1.8
79.05486	32.4
80.28287	1.2
81.03416	3.6
84.08122	1.5
85.02887	1.3
86.09705	1.8
87.59945	1.2
89.03972	1.2
91.05475	7.9
93.07027	3.4
95.04960	15.0
97.06522	1.4
103.05459	7.4
105.03375	4.7
105.04528	1.7
105.07017	5.2
106.04150	1.9
107.04941	15.3
109.02859	3.0
109.06542	1.5
112.01592	1.5
115.05441	4.3
116.06229	8.8
117.07015	2.9
119.04921	3.7
121.02834	2.0
121.05729	1.3
121.06445	8.0
123.04417	32.9
125.06004	3.2
127.03909	16.1
131.04915	3.4
133.02835	12.5
133.06505	11.3
135.04408	3.9
137.05965	3.6
138.03094	2.3
139.03954	1.6
141.05457	2.3
144.05688	20.0
145.06540	6.1
147.04390	4.5
148.01451	2.3
149.02304	2.6
149.05975	4.1
151.03894	18.7
152.04611	1.7
153.05475	12.5
155.03374	34.0
155.04646	2.0
155.05988	1.4
157.06453	3.0
159.04370	2.7
160.05200	2.6
161.05965	31.3
162.03102	2.4
163.03894	12.6
165.05438	2.2
165.09091	3.5
167.07034	20.6
169.04973	6.9
170.05727	100.0
171.06194	2.8
173.04012	1.1
173.05989	7.2
174.03046	1.2
175.03912	1.4
177.05458	3.8
178.06262	11.1
178.07771	2.0
179.07008	5.0
181.04939	17.1
182.05542	2.1
183.04391	1.4
183.06467	2.4
188.04662	1.9
189.05475	2.1
191.06967	8.3
193.04913	1.7
193.08577	5.9
194.02089	5.3
195.06490	3.5
197.08044	5.5
200.04927	1.4
201.05507	1.6
202.06157	3.8
205.04947	12.7
205.08609	1.4
206.05690	5.6
207.06444	10.2
208.03693	7.1
209.04437	63.8
210.04848	2.8
219.08139	1.2
220.07268	27.1
221.08049	67.9
222.08720	8.0
223.05963	33.5
223.07959	2.0
224.06352	1.4
233.05826	2.0
233.07916	2.4
234.06630	1.4
237.09102	1.5
245.56978	1.5
247.07593	2.2
247.37651	1.3
262.06079	1.9
263.06937	2.3
265.08560	1.5
271.06009	3.5
276.07635	1.2
277.08499	1.9
293.07867	2.0
295.09573	1.9
307.09674	2.8
308.05978	1.3
321.07635	1.6
325.10571	8.0
339.08688	6.1
343.11697	5.4
353.10120	20.5
354.10440	2.2
371.11227	85.9
372.11475	5.2
387.14206	2.6
389.12271	4.8
399.10455	1.8
417.14459	7.7
417.20853	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65408	2.3
52.76277	2.4
53.03932	5.4
53.58208	2.4
55.01860	3.7
61.02909	3.0
64.58112	2.3
64.95545	2.8
65.03931	3.9
67.05496	10.1
68.99780	2.8
69.03428	8.2
69.07056	7.0
70.06596	3.6
70.65871	5.2
72.08125	3.4
73.02905	4.0
73.23282	2.2
77.03927	4.1
79.05035	5.2
79.05486	85.3
79.57784	2.4
80.05806	2.8
81.03413	11.1
81.07021	2.9
84.08124	4.0
85.02895	18.2
86.09703	47.9
87.04485	2.7
88.03991	3.0
88.29659	2.2
90.65942	2.4
91.05466	8.2
91.19191	2.3
92.25045	2.4
93.07024	2.3
95.04964	39.8
97.02895	5.6
103.05446	3.5
105.03388	13.1
105.04506	7.0
105.07034	4.9
107.04934	6.4
107.08556	2.5
115.05440	4.8
117.07006	6.7
119.04935	7.1
121.02843	4.9
121.06509	9.2
123.04420	100.0
123.08021	2.4
123.73663	2.2
124.04716	5.0
125.05981	8.6
128.06155	2.3
131.04926	4.9
133.02835	33.9
133.06470	5.6
134.03549	3.8
135.04375	14.2
135.08092	2.7
136.04701	4.3
137.05984	9.6
143.11806	6.4
145.04916	4.4
145.06465	10.0
147.04384	9.1
149.02310	7.7
149.05974	8.1
151.03889	47.3
152.04543	2.9
153.05492	21.0
154.05859	7.7
155.05980	4.3
159.04384	3.4
161.05981	7.1
163.03900	17.7
164.04576	5.2
165.05490	6.0
167.07018	67.2
168.07451	2.4
169.04964	14.8
170.05318	3.8
173.05933	12.6
175.03868	7.7
177.05408	4.0
178.07796	4.9
179.03366	3.7
179.07019	7.5
179.08475	3.9
181.04935	33.0
181.06409	3.4
181.08548	4.7
182.05269	10.3
189.05429	4.4
189.07008	3.5
190.06273	3.5
190.07863	4.0
191.03345	4.4
191.07028	15.7
191.08684	5.9
191.10585	21.4
192.10974	22.9
193.04985	8.1
195.06396	3.3
201.12395	4.2
203.07016	5.4
205.04755	3.1
205.06572	4.5
205.08549	5.0
206.05669	5.2
207.03006	3.1
207.06500	22.0
207.08080	4.2
209.06110	2.9
219.02913	3.8
219.08150	5.5
219.10176	13.6
220.10500	18.0
221.06134	4.6
221.08080	10.1
224.55110	2.4
233.04176	3.4
233.08092	7.4
234.05109	4.0
235.07611	6.1
235.09631	4.5
237.11168	5.2
238.11610	3.7
245.06133	4.1
247.07475	4.9
248.06586	4.7
249.07506	94.7
250.08012	4.4
251.06996	3.5
261.05240	3.4
262.06363	3.4
263.06989	6.0
265.08481	4.5
267.09982	5.3
277.08615	9.4
279.06644	6.0
279.09897	3.7
280.07324	2.9
286.08206	5.8
293.08176	6.7
293.11569	2.9
295.09552	8.1
305.08093	4.3
307.05936	5.1
309.11072	5.6
321.07550	20.2
325.10745	2.6
331.06006	13.3
337.10587	5.2
339.08612	5.9
341.10269	3.5
349.06961	4.3
353.10159	5.8
354.14301	3.0
367.07849	3.8
381.09534	8.3
385.09256	2.9
387.14426	9.9
416.23264	3.1
417.11499	9.9
417.15579	20.1
417.20950	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62865	6.4
57.57529	9.2
60.73920	7.3
68.31645	6.6
71.42413	7.9
72.08163	9.8
73.29417	6.7
79.05438	8.1
91.88067	7.1
95.04959	8.3
105.07021	15.5
121.02863	10.5
125.63752	7.6
131.04945	7.6
131.08524	7.7
141.05463	24.9
145.06496	13.0
146.06926	10.0
153.84648	8.1
158.06866	9.1
159.08020	9.9
165.57852	8.2
167.07008	26.8
169.04965	16.7
170.05266	14.4
175.56879	8.2
180.12988	7.2
181.04988	32.2
182.05304	15.8
221.08156	9.2
255.73683	8.0
268.09067	10.6
273.04169	17.8
387.14124	10.9
417.13602	100.0
417.20709	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	417.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93675	7.6
51.49735	7.6
55.81650	8.0
62.48068	7.4
65.93871	10.0
68.50704	8.1
72.08154	9.9
77.88114	7.9
81.07058	9.1
86.09700	9.8
87.99685	8.3
88.59714	7.6
95.04947	12.8
97.02882	8.1
103.05444	12.2
121.02878	19.7
131.04962	9.4
137.06064	9.6
141.05460	22.5
145.06483	16.7
146.06819	14.7
147.23940	7.9
151.05943	7.8
167.07037	43.2
169.04996	19.4
170.05263	14.2
181.04903	42.8
182.05263	10.1
185.24338	7.6
191.06970	8.8
221.08157	8.5
234.99113	8.9
250.98904	8.9
269.92587	8.1
273.04297	22.2
417.13745	100.0
417.19391	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	417.1532
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
55.01852	1.2
61.83902	0.6
65.03925	4.2
67.05470	1.7
69.03410	0.7
70.06640	0.6
72.52725	0.6
77.03896	1.4
78.04704	3.8
79.05486	3.5
81.07034	0.6
82.04166	2.0
84.08099	2.7
85.02885	2.9
90.04652	0.8
91.05481	4.0
91.52225	0.5
93.03393	1.7
95.04957	3.2
97.06523	1.2
103.05456	14.5
104.05770	1.1
105.03406	1.0
105.06998	2.8
106.04144	1.9
107.04940	5.1
107.08566	1.0
108.02117	1.0
109.06475	0.9
109.10136	0.7
110.03609	1.9
111.04401	1.4
115.05438	5.7
117.07005	6.9
118.04187	4.0
119.04908	1.8
119.08521	1.3
121.06479	0.9
121.10084	0.7
123.04414	8.6
124.05193	3.7
125.05984	1.4
125.09583	1.2
127.05412	1.7
127.12274	0.8
130.04114	2.1
131.04909	12.5
132.05650	1.1
133.02834	2.1
133.06465	1.6
134.03629	1.0
135.07959	1.0
135.35789	0.6
137.05936	5.7
138.03044	1.6
138.33401	0.7
144.05664	0.9
145.06462	9.6
147.00542	0.7
147.04376	1.1
147.08002	0.8
148.05159	8.1
149.06013	1.0
151.03860	2.2
151.07483	0.7
152.04659	2.6
153.05444	3.4
155.06029	4.1
159.08032	1.0
161.05907	2.2
163.07533	13.4
164.28004	0.7
166.02634	0.9
166.57051	0.6
167.07011	100.0
168.07333	2.8
171.06483	3.2
173.05957	14.8
175.07478	1.8
176.04678	1.4
179.07048	1.5
181.04930	56.0
182.05283	2.1
187.07533	1.1
189.05455	0.7
191.07005	40.0
192.07391	1.6
193.08615	1.1
195.06512	2.7
205.08601	3.6
207.06438	0.9
207.10191	1.1
209.07904	0.9
217.08554	1.5
219.10123	1.6
221.07875	0.7
233.05876	1.4
233.08012	9.9
233.10175	0.9
234.06633	0.9
235.07567	0.9
235.09654	4.8
254.04327	0.9
257.04102	7.4
263.09186	1.4
266.04504	2.3
293.08322	0.6
303.03143	0.7
307.09833	0.7
325.10696	0.8
337.10828	0.7
357.13281	1.5
367.11621	0.8
381.13071	0.9
385.12933	1.8
387.14267	10.1
388.14798	0.9
399.14178	5.9
417.15244	72.9
418.10080	1.0
418.15570	5.2
418.21976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94283	0.5
53.03938	0.9
55.01857	1.1
55.05497	0.6
62.36018	0.5
65.03924	3.0
67.05493	1.2
69.03413	0.7
69.41989	1.1
69.42371	1.3
78.04697	2.7
79.05489	3.7
79.26272	0.5
81.07034	0.6
82.04163	1.0
83.08595	0.7
85.02885	1.6
91.05473	1.9
95.04944	2.2
97.06496	0.9
100.07565	0.6
100.11227	2.2
103.05460	4.3
105.04514	0.8
105.07013	1.2
106.04163	1.6
107.04313	0.6
107.04957	4.3
107.08575	0.6
109.06456	0.6
110.03661	1.2
111.04396	1.3
115.05439	3.2
116.71295	0.5
117.06994	5.8
118.04135	1.9
119.04930	1.1
119.08566	0.7
123.04425	7.8
124.05200	1.9
125.05980	1.3
127.05376	1.0
131.04895	5.0
132.05724	0.8
133.02785	0.7
133.06450	0.8
134.03627	1.2
137.05968	1.1
138.03149	1.2
145.06462	8.8
147.07945	0.8
148.05164	3.6
151.03897	1.3
152.04634	2.3
153.05424	1.8
154.12224	0.7
155.05988	4.6
163.07491	4.5
167.07021	100.0
168.07320	3.6
171.06494	3.2
173.05959	14.2
174.06374	0.8
175.07497	0.8
177.05386	0.6
181.04935	43.9
182.05298	2.2
182.15410	1.2
182.72243	0.6
191.07021	15.1
192.07350	0.6
195.06439	0.8
201.05447	0.7
203.06964	0.7
205.08586	3.7
207.06480	0.8
207.10077	0.6
210.14862	1.5
217.08568	1.1
219.10199	1.1
220.07272	0.6
233.08051	8.7
234.08450	0.6
235.09680	4.2
263.09308	0.7
286.07977	0.6
329.10065	1.7
381.13260	1.0
385.12744	0.8
387.14313	13.5
388.14639	0.8
399.14273	1.6
417.15353	24.0
417.28943	0.9
418.15637	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.06736	0.5
53.03929	0.6
55.01853	1.4
65.03931	3.4
67.05489	1.9
69.03414	0.9
69.24003	2.6
77.03903	0.6
78.04678	2.3
79.05486	3.1
81.03388	0.9
82.04153	0.8
85.02886	3.3
91.05452	2.2
93.03365	1.0
94.65482	0.5
95.04951	2.7
97.06522	1.0
99.26714	0.6
102.04638	0.7
103.05454	11.1
105.03353	1.6
105.04491	0.9
105.07017	1.6
106.04140	2.1
107.04943	6.4
108.02016	0.8
109.06443	0.7
110.03643	2.5
111.04435	0.6
115.05441	4.2
117.07018	5.9
117.80260	0.5
118.04181	3.2
119.04964	0.9
121.06495	0.6
122.03651	1.5
123.04410	8.6
124.05209	2.6
125.05957	2.2
127.05378	1.0
130.04123	1.0
131.04906	9.8
133.02812	1.8
133.06447	1.8
134.03586	1.6
137.05904	1.1
138.03105	1.5
142.02565	1.1
143.04980	0.7
144.05669	0.7
145.06454	9.2
146.03603	0.9
147.08044	1.0
148.05151	6.8
151.03870	1.9
152.04680	2.8
153.05464	2.4
155.04852	0.8
155.05984	4.1
157.06378	0.6
161.05954	1.4
163.07507	10.2
165.05511	0.9
167.07016	100.0
168.07336	2.8
171.06519	4.5
173.05962	15.6
174.06459	0.8
175.07536	1.7
176.04659	1.4
181.04927	53.8
182.05272	2.1
187.07513	1.9
191.07002	32.8
192.07324	0.9
195.06541	1.6
201.05438	0.7
203.07074	0.8
205.08582	3.7
207.06454	0.7
209.08037	1.2
217.08502	0.9
219.10165	1.5
221.07863	0.5
233.05907	1.1
233.08041	8.1
235.09549	3.5
245.08051	0.5
259.06982	0.5
263.09070	1.4
297.11337	0.7
307.09607	0.9
311.17105	0.5
325.10507	1.0
329.10040	0.8
381.13193	0.7
385.12781	1.5
387.14297	9.2
388.14639	0.7
399.14349	1.2
416.28622	1.1
417.15393	18.0
417.28787	0.9
418.15677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
51.02370	1.1
53.03912	0.7
55.01855	0.9
65.03929	5.0
67.05473	2.2
69.03423	1.3
70.55088	1.3
77.03918	1.7
78.04709	3.8
79.05487	4.6
81.03389	1.6
82.04184	2.2
85.02905	3.6
91.05461	3.9
93.03389	1.1
95.04954	3.8
96.51921	0.7
97.06507	1.8
102.04674	1.4
103.05457	24.7
105.03384	1.7
105.07011	3.8
106.04150	1.1
107.04942	7.3
108.02069	0.9
109.06492	1.4
110.03654	3.5
111.04439	1.2
112.31901	0.7
115.05421	7.1
117.06998	6.4
118.04160	6.3
119.04908	2.3
119.08559	0.7
120.05719	1.2
121.06480	1.8
123.04408	8.3
124.05222	3.6
125.05958	1.6
127.05422	0.9
129.06987	1.1
130.04111	2.0
131.04913	19.7
132.05692	1.1
133.02835	3.0
133.06488	4.5
134.03592	1.5
135.08043	1.6
137.05956	2.0
138.03090	2.5
142.02577	1.4
144.05685	0.8
145.06461	9.0
146.03569	1.2
147.08018	1.6
148.05164	14.2
149.05934	1.5
151.03900	2.0
152.04645	2.7
153.05411	4.1
155.05981	5.1
155.07018	0.7
159.08023	0.7
160.05159	0.7
161.05952	2.1
163.07524	23.4
164.07849	1.0
167.07019	100.0
168.07304	2.5
169.05070	0.7
171.05251	0.7
171.06473	3.9
173.05971	16.8
174.06317	1.3
175.07523	1.5
176.04674	3.1
177.05289	1.0
181.04935	81.3
182.05228	2.6
187.07520	2.5
191.07008	78.9
192.07339	3.9
193.04938	1.0
193.08553	1.5
195.06512	3.3
197.45627	0.6
200.60704	0.7
201.05582	1.4
203.07077	1.3
205.08594	3.4
206.05629	0.8
207.06380	1.6
207.10103	1.7
209.08109	1.7
217.08534	1.4
219.10034	3.1
221.08031	1.0
233.05956	1.2
233.08052	10.1
234.08502	0.7
235.09598	6.6
245.08037	1.0
250.06291	0.9
263.09161	3.4
267.10046	1.7
279.10132	0.7
293.08060	0.9
323.08917	0.9
325.10635	1.7
328.01898	0.7
355.11444	0.7
357.13141	1.4
367.11740	2.0
381.13150	1.0
385.12668	3.3
386.13397	0.8
387.14340	11.8
388.14471	1.1
399.14310	2.0
417.15378	24.8
418.15775	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	417.1539
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03907	0.3
55.01855	0.5
55.05494	0.3
65.03909	1.1
67.05470	0.9
69.03405	0.4
69.07069	0.3
69.08783	2.0
70.37038	0.3
72.45280	0.3
73.90151	0.3
77.03907	0.4
78.04705	3.3
79.05470	1.4
81.03384	0.4
81.07021	0.7
82.04151	0.5
84.08121	1.2
85.02880	1.2
87.77166	0.3
91.05476	1.5
92.58496	0.3
93.03372	0.5
93.07055	0.4
95.04919	1.1
97.02856	0.5
98.23507	0.7
103.05436	0.3
105.03322	0.3
106.04182	2.0
107.04943	1.7
108.02072	0.3
110.03668	0.7
111.04442	0.3
111.08072	0.4
115.05451	3.6
117.06998	5.4
121.06398	0.4
121.10116	0.4
122.00359	0.3
122.03626	0.6
123.04417	8.4
123.08081	0.3
124.05215	3.1
125.05915	0.6
127.05407	1.4
127.12289	0.8
131.04869	0.5
134.03566	0.7
135.08020	0.3
137.05937	0.9
138.03041	0.5
141.03589	0.3
144.05699	0.4
145.06462	9.0
146.06815	0.5
147.04399	0.4
147.08034	0.5
151.03871	1.8
152.04651	2.1
153.05452	0.9
155.04875	0.5
155.06012	4.4
167.07013	100.0
168.07352	2.6
171.06500	1.7
173.05952	15.2
174.06361	0.7
175.07515	0.8
181.04929	19.4
182.05304	0.7
189.05421	0.3
191.07095	0.6
201.05530	0.7
202.06143	0.3
205.08571	4.1
217.08682	0.4
233.08061	7.7
235.09592	3.4
238.04854	0.4
254.04463	0.8
266.04440	3.8
382.07303	0.3
387.14313	14.4
388.14636	1.1
417.15375	29.0
418.09262	2.0
418.15823	2.0
418.22165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.4
67.05497	0.8
69.03426	1.1
70.06583	1.3
71.05000	0.7
72.08137	2.6
79.05475	0.7
81.03426	0.5
81.64221	0.4
84.04478	0.7
85.02879	1.8
85.06480	0.5
86.09708	4.1
91.05464	0.5
95.04969	0.5
95.08591	0.5
97.02879	0.9
99.04450	2.0
105.07011	0.6
107.04952	1.1
109.02850	0.6
117.06942	0.5
119.08524	0.5
121.10085	0.5
127.03918	0.8
133.10144	0.5
145.10266	0.4
151.07523	0.7
152.07065	2.9
161.09615	0.9
180.59213	0.5
187.07100	0.6
191.14253	1.2
193.12018	1.8
219.13753	1.6
223.56097	0.4
237.14774	2.8
255.12033	0.7
255.15855	0.9
270.83694	0.4
275.07352	1.0
285.13046	1.8
298.04086	0.5
335.09384	1.0
417.17148	100.0
418.17578	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	417.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.05017	0.3
56.93047	0.2
57.03448	0.2
58.06589	3.3
69.49450	0.9
70.06584	0.7
72.08202	0.3
74.19364	0.2
81.07034	0.3
84.08131	100.0
85.02879	0.3
85.07999	0.2
85.08463	1.8
86.09684	0.3
91.05508	0.3
95.04956	0.4
98.22707	0.5
98.91559	0.2
107.04952	0.3
109.51537	0.2
119.04938	0.9
121.06461	0.6
123.04419	5.0
127.12297	42.3
128.12653	0.8
135.07991	0.4
137.05981	0.3
145.81453	0.2
147.04390	1.8
147.08052	0.3
149.05960	0.6
151.03880	2.5
159.07831	0.2
163.03868	0.6
163.07526	1.6
165.05469	0.9
173.05942	0.7
175.07487	0.6
179.06990	0.5
179.21935	0.3
181.04982	0.3
189.05385	0.3
191.06995	5.5
192.07346	0.4
193.08551	1.4
203.07021	0.3
205.04936	0.5
205.08517	0.3
222.11208	1.8
255.02606	0.4
255.08321	0.3
259.97632	0.3
265.15524	0.4
310.68085	0.3
330.43613	0.2
417.12451	0.7
417.20602	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	417.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.4
56.05027	1.5
56.29122	0.4
57.05803	1.0
61.81215	0.4
66.95212	0.4
67.62410	0.4
69.07058	1.4
69.71249	1.0
69.71610	1.0
70.06578	0.6
72.08143	100.0
73.08479	1.1
75.40578	0.4
76.82589	0.5
80.13019	0.4
84.04491	19.9
85.02887	1.0
86.09691	44.6
86.21322	0.4
87.10039	0.6
96.04474	1.2
102.05525	14.6
107.03484	0.4
113.07102	1.6
125.55808	0.5
129.06601	4.0
141.06532	3.5
142.05060	0.6
152.10710	2.2
155.08130	0.8
170.11751	4.5
175.10756	30.3
176.11119	0.8
185.16519	1.5
197.12817	12.6
197.14607	0.8
198.13234	0.7
213.15985	1.2
215.13870	41.5
216.14288	1.5
218.02982	0.4
225.12308	7.5
225.14417	0.6
243.13353	28.4
244.13617	1.2
296.19678	4.2
324.19193	4.4
342.20145	2.3
417.13385	1.1
417.23831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59299	1.7
83.20966	0.4
95.03533	0.4
98.22746	0.9
123.05272	3.5
124.03710	2.0
124.86095	0.5
151.04753	12.7
151.05923	0.8
152.03152	7.5
155.73216	0.5
169.05826	6.8
177.46123	0.4
213.54063	0.4
223.06956	2.3
239.42357	0.5
252.17290	0.8
270.18134	1.3
347.15744	1.2
354.20364	0.5
382.19833	5.4
399.22479	100.0
400.22806	6.8
406.63477	0.5
417.23523	59.8
418.23764	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	417.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.05505	14.0
57.03428	8.0
57.07066	6.1
61.75143	1.0
65.03929	1.3
67.05497	61.7
69.07057	15.8
69.35975	5.0
70.76030	0.9
71.04975	1.1
71.08611	4.5
79.05486	17.7
81.03373	1.4
81.07050	71.0
82.07364	1.2
82.33557	0.9
83.04959	1.3
83.08596	8.0
85.06535	2.5
91.05469	12.7
93.07034	19.4
95.04951	3.5
95.08598	69.4
96.08930	1.8
97.06522	4.6
97.10154	4.5
98.98455	100.0
99.08067	3.0
105.07018	9.1
107.08586	12.5
109.06534	1.3
109.10143	31.9
110.10425	1.5
111.08053	4.4
111.11687	1.4
113.09629	1.8
116.99443	1.4
119.08566	9.2
121.10141	13.4
123.08105	1.5
123.11699	16.2
125.09582	1.2
133.10144	9.5
135.11676	8.1
137.09593	2.8
137.13222	8.4
147.11681	9.0
149.13258	6.3
151.11176	1.6
151.14818	7.2
155.01021	97.2
161.13216	7.4
163.14838	6.1
165.12637	1.1
165.16423	5.4
169.54248	1.1
175.14804	6.2
177.16306	1.6
179.17960	1.8
189.16380	2.4
203.17950	1.4
245.22643	21.5
246.23085	1.3
263.23672	44.6
264.24075	2.2
417.33295	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.05503	2.5
59.27120	0.5
65.03922	2.0
67.05495	10.0
68.02630	7.0
69.03416	1.7
69.07058	2.0
69.13267	3.7
79.05482	5.9
81.03422	1.3
81.07046	12.7
83.04970	15.9
84.05303	0.7
91.05437	2.8
93.07034	6.3
94.07793	0.7
95.04961	0.8
95.08588	8.9
99.04398	0.6
105.07017	3.4
107.08577	5.8
108.09368	1.0
109.10136	5.4
111.04424	100.0
112.04742	2.1
117.06968	1.2
119.08570	3.1
121.10149	4.1
122.10973	0.6
123.11683	3.1
125.02311	4.6
131.08548	1.3
133.10114	1.5
135.08028	0.7
135.11652	3.5
137.13206	1.6
141.05438	9.9
145.10123	1.4
147.11642	1.7
149.09630	1.1
149.13240	2.8
151.11189	0.6
151.14842	1.0
153.05423	1.1
157.04935	43.8
157.10075	0.7
159.11530	0.9
161.13232	1.2
163.14801	1.9
165.16301	0.6
177.12721	0.7
177.16330	1.2
189.12631	0.6
199.14932	0.7
221.15259	0.7
241.19711	0.6
249.18556	0.6
253.10728	1.1
259.20624	1.1
267.12219	1.8
277.21588	3.4
278.22345	1.3
279.12354	0.9
281.13766	3.3
293.13745	0.7
295.15240	2.9
307.15268	1.2
309.16858	2.6
319.15533	1.4
321.17102	1.6
323.18408	2.2
333.16953	1.8
335.18585	1.5
337.19913	1.3
347.18478	1.8
361.20084	2.0
375.21606	0.7
399.25082	1.0
417.16980	1.3
417.26193	11.7
418.26779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.336
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
52.38153	1.2
55.01852	3.1
55.05296	1.3
55.05501	14.9
56.67196	1.3
57.03425	2.3
57.07063	7.7
64.22711	1.2
67.05157	1.6
67.05488	19.9
69.03393	1.4
69.06715	1.7
69.07058	23.5
69.93536	3.0
69.93907	2.6
71.08606	5.2
71.26072	1.2
71.81145	1.3
78.26759	1.5
78.52465	1.4
79.05474	7.0
81.06626	1.9
81.07044	24.8
83.04948	5.5
83.08608	11.5
85.06520	2.5
90.05190	1.4
91.05442	7.0
91.18859	1.1
93.07026	35.4
95.04939	6.6
95.08586	32.1
97.02850	3.6
97.06484	4.6
97.10139	4.5
98.98442	3.0
105.06997	6.1
107.08562	9.4
109.06490	4.2
109.10136	8.7
111.08079	12.7
111.11706	1.7
115.03848	1.9
117.06960	1.5
119.08542	5.2
120.08842	1.8
121.06446	5.4
121.10080	4.8
123.04347	1.7
123.08033	2.5
123.11656	4.7
125.09583	2.3
133.10115	4.4
135.08029	2.3
135.11633	4.5
137.05948	2.7
137.09596	1.4
137.13217	2.2
139.07510	14.1
145.10054	2.4
147.11635	2.9
149.13229	2.5
151.07472	5.1
153.05400	3.6
153.09003	3.5
155.01006	1.8
157.08521	2.5
159.11662	2.5
161.09593	4.2
163.11130	3.6
165.09068	3.1
169.08586	2.5
179.10625	8.4
181.12218	31.9
182.12549	1.7
193.12173	2.6
203.10651	1.5
205.12265	4.0
209.11623	5.2
217.12146	1.9
225.37578	1.2
235.13232	2.4
263.23709	1.9
278.63358	1.4
287.20361	1.6
382.37689	1.4
389.34152	1.4
399.32391	3.1
417.33325	100.0
418.33731	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	418.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
52.89906	0.8
53.03938	1.6
55.01861	7.3
56.58191	0.8
65.03925	5.1
66.04708	0.9
67.05492	2.0
69.03426	1.5
69.18245	5.2
72.12737	0.9
77.03912	1.6
78.04697	2.5
79.05483	10.4
81.03407	5.7
81.07047	1.2
82.04190	1.9
83.04935	1.1
85.02893	2.6
91.05476	8.7
93.03384	2.1
93.07052	1.4
95.04956	13.0
96.02055	0.9
98.22707	2.0
103.05459	9.1
104.06270	2.5
105.03369	1.6
105.04477	2.1
105.07032	30.8
106.07359	3.0
107.04948	14.1
107.08646	0.9
109.02864	1.2
110.03630	2.2
111.04431	5.4
115.05432	13.5
117.07014	5.0
118.04140	2.6
118.43656	0.8
119.04895	3.2
121.06485	3.5
122.03623	1.6
123.03526	1.0
123.04417	16.9
124.05160	3.5
125.05967	2.7
129.06985	2.2
130.04123	1.4
131.04930	20.6
132.05777	17.0
133.02852	5.1
133.06540	31.3
134.03236	1.1
134.06808	3.3
135.04404	2.3
135.08070	1.9
136.05197	1.0
137.05975	8.4
138.03096	1.9
139.03896	6.2
140.04633	1.5
141.05489	1.0
143.04909	3.4
143.06029	2.4
144.05598	1.9
145.06451	8.5
146.06810	1.9
147.04353	2.8
147.08043	1.8
149.02267	1.1
149.06006	5.1
150.06462	1.1
151.03900	7.9
151.07509	2.6
152.04630	3.2
153.05449	12.3
154.06242	14.5
155.06989	3.9
157.06516	1.7
159.04387	1.9
159.08122	1.6
160.05186	5.6
160.32291	1.0
161.02338	1.8
161.05966	49.1
162.02654	1.1
162.06308	9.4
163.03865	2.3
163.07487	4.0
164.04498	1.0
165.05475	11.0
166.05983	1.1
167.03407	8.4
167.07018	100.0
168.07414	15.0
169.04929	1.2
171.06488	3.3
172.05211	0.9
173.05952	8.1
174.06305	3.5
175.07556	4.1
176.04613	1.5
176.07925	1.7
177.05449	9.0
177.09140	1.1
178.05930	2.1
179.03375	1.3
179.07013	5.0
180.07796	34.9
181.04932	73.0
181.08351	3.3
182.05376	5.5
182.09384	10.5
183.06522	7.0
184.07288	4.0
187.07527	1.8
189.05438	4.0
190.06215	1.1
191.06975	9.3
192.07773	16.7
193.05058	1.0
193.08495	25.6
194.09309	6.5
196.07312	2.1
201.05479	2.1
203.06966	3.8
204.07765	1.4
205.04988	1.1
205.08542	5.4
206.05598	1.1
206.08873	1.1
207.02893	3.1
207.06517	4.4
208.03186	2.4
208.07254	8.4
208.10913	1.3
209.07976	3.4
210.08842	17.3
211.09102	1.4
218.05772	1.2
218.09366	1.4
219.06496	4.0
219.10117	5.2
220.07198	1.9
221.08090	6.5
222.08817	1.0
225.38290	0.9
226.08316	2.9
233.08031	7.8
234.08493	1.8
235.09703	4.7
236.10362	4.2
251.09036	5.5
255.06056	0.9
319.11746	2.4
323.09378	0.9
324.09976	1.0
357.13303	1.3
367.07962	1.3
368.08432	25.4
369.08719	2.1
369.13275	1.9
374.32855	1.0
387.14255	7.2
388.14529	3.0
400.10913	3.1
403.13846	1.2
417.14905	1.0
418.16397	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	418.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61732	0.2
57.03426	0.8
57.58451	0.3
61.02909	0.4
62.99094	0.3
63.44437	0.3
69.03415	1.0
69.87537	0.8
70.06581	0.6
73.02907	2.7
77.03857	0.3
79.05476	1.6
81.03413	0.4
84.08133	2.6
85.02898	1.3
85.08453	1.2
87.04461	0.3
91.05468	0.4
95.04949	0.7
96.04427	0.3
97.02885	0.9
100.96465	0.2
106.06538	100.0
107.04939	0.3
107.06870	2.2
115.03883	0.4
116.07080	0.4
118.06510	2.2
119.04960	0.4
123.04411	2.3
124.03926	1.5
124.07567	1.0
127.03828	0.4
127.12325	1.0
128.12599	0.4
130.06496	0.5
132.08075	0.3
133.04953	0.4
134.06009	0.4
135.04437	0.4
137.05971	0.4
139.03885	0.8
145.02791	0.4
147.04369	0.9
148.07596	0.7
150.09087	0.4
151.03867	2.8
151.40669	0.3
163.03848	1.3
165.05469	0.9
177.05481	0.3
191.07077	0.4
207.06613	0.3
220.09715	0.3
238.10757	1.0
266.10144	0.9
268.11581	0.3
286.12891	0.3
295.08121	0.8
303.08536	3.8
384.88098	0.3
418.17053	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	418.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.3
57.03430	0.4
61.02908	0.4
69.03413	1.0
70.06577	0.5
70.96741	0.3
73.02903	2.3
79.05495	1.3
84.08138	3.5
85.02898	1.6
85.08477	0.8
87.04472	0.3
91.05478	0.4
95.04956	0.8
95.58216	0.2
97.02867	0.6
100.15124	0.2
101.17157	0.2
103.03938	0.2
106.06538	100.0
107.06859	2.2
108.08061	0.4
115.03927	0.4
116.07052	0.3
118.06532	2.3
123.04398	2.0
124.03939	1.1
124.07546	0.6
127.03887	0.3
127.12309	1.0
128.12611	0.5
130.06529	0.7
132.08122	0.2
133.04982	0.5
134.05994	0.6
139.03879	0.8
147.04420	0.8
148.07573	0.8
150.09126	0.3
151.03853	2.4
160.07579	0.4
163.03880	1.6
165.05504	0.5
175.07472	0.4
177.05467	0.3
181.04961	0.4
193.30322	0.2
220.09630	0.3
221.08174	0.3
238.10602	1.2
256.11743	0.5
266.10132	0.6
268.11792	0.4
269.12128	0.3
286.12781	0.4
295.08154	0.5
301.12555	0.5
303.08594	3.8
312.82220	0.2
418.16888	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	418.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00208	0.3
55.01862	0.4
57.03411	0.6
59.04985	0.4
67.05488	0.4
69.03415	2.1
69.76644	1.0
70.06580	0.7
70.35120	0.3
71.04987	16.1
73.02921	0.4
81.03413	3.5
84.08144	0.9
84.55293	0.3
85.02903	3.1
85.08440	0.3
88.39166	0.3
91.05475	0.4
95.04945	0.4
95.08598	1.4
97.02875	3.6
99.04445	100.0
100.04803	1.6
103.03925	0.8
108.04442	0.4
109.02861	3.7
117.05479	8.7
119.08614	0.4
123.04411	0.6
127.03882	1.8
137.05991	0.6
141.05432	0.8
145.04904	2.0
147.04440	1.2
149.09586	0.4
159.06551	0.7
161.06041	0.4
165.05516	0.4
171.06520	0.9
175.07434	0.3
175.41695	0.3
177.05522	0.7
177.09084	0.5
183.06575	0.6
189.12689	0.4
190.06233	0.5
191.07002	0.4
201.07556	3.6
203.06978	0.7
206.07951	0.4
207.06506	0.8
207.13831	2.3
221.08112	2.6
231.06538	1.6
239.09280	0.5
243.08612	2.2
249.07512	2.6
266.10251	0.9
295.20731	0.4
330.87628	0.3
418.17450	0.5
423.85870	0.5
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
50.11742	5.9
53.03940	8.7
55.05502	100.0
67.05505	8.0
69.03422	17.3
70.06588	28.0
71.44682	8.2
72.08143	27.9
73.06545	21.1
73.08505	7.1
79.05502	7.6
80.05017	6.4
81.03397	8.6
81.07043	8.2
85.02903	16.7
86.09690	19.7
91.05467	9.3
91.07574	78.7
93.07059	14.1
95.04955	10.1
95.08623	12.6
97.02851	11.6
105.07014	16.3
116.04967	20.8
116.07083	9.0
119.08613	7.5
121.02873	7.1
123.04398	6.9
124.03953	29.8
127.03873	6.7
133.06508	8.2
137.05927	7.9
149.02321	87.3
161.09689	7.7
161.33954	5.7
167.07031	6.9
179.06749	6.1
191.59680	5.2
193.36885	5.7
221.08031	21.3
221.11636	30.1
238.03816	6.4
257.09085	17.6
287.05417	11.1
319.10678	9.7
359.09537	7.0
371.15280	6.3
401.10330	19.6
418.20786	68.5
419.11548	67.3
419.18951	64.3
440.28726	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	418.222
Annotation	Gly Arg Trp
Peak:m/z	Relative Intensity
54.76045	0.2
55.01857	0.7
55.05494	0.5
56.05033	0.5
63.37774	0.3
65.03936	0.3
67.05489	1.4
68.04996	0.5
69.03419	2.2
69.07036	0.3
69.32306	1.4
70.06582	4.0
71.04980	0.7
77.62408	0.3
78.98366	0.3
79.05477	1.4
79.83568	0.3
80.05003	1.8
81.05752	0.4
81.07044	1.2
82.06573	0.6
83.01318	0.5
84.08121	1.6
91.05470	1.4
93.07018	1.0
94.06554	2.0
95.04964	0.7
95.08597	1.0
96.08117	1.6
97.06519	0.4
99.04402	0.5
100.07610	0.4
104.33974	0.3
105.06998	1.5
107.04942	3.7
107.08583	0.8
108.08112	0.6
109.06502	0.5
110.09671	1.3
111.08080	0.3
115.05419	0.3
117.07008	0.4
119.04990	0.3
119.08553	1.1
120.08102	0.5
121.06492	0.7
121.10167	0.3
122.09641	3.7
123.04412	1.2
123.08067	0.5
125.05994	0.6
127.03963	0.4
131.08534	0.5
132.08116	0.4
133.06482	0.3
133.10138	0.5
134.09625	1.1
135.04395	0.5
136.11201	2.3
138.09131	0.6
141.05473	0.4
145.10104	0.6
147.04439	0.6
147.08049	0.4
148.11194	0.8
149.05949	0.6
150.09097	2.9
151.03897	0.4
151.07553	0.7
152.10701	0.4
153.05426	0.5
154.12283	0.4
155.03429	0.5
155.07050	0.4
159.08049	0.3
162.12738	1.7
163.03876	1.6
163.07510	0.5
164.14333	1.5
165.05478	0.7
165.09084	0.4
167.07011	1.0
168.10220	1.8
175.04008	0.5
175.11060	0.4
177.09171	0.4
181.04970	0.6
181.08583	0.7
182.11710	3.3
183.06570	0.7
184.11832	0.3
184.13272	1.5
187.03885	0.3
188.14320	0.7
190.15886	0.7
191.07008	0.4
193.08842	0.3
199.07501	0.4
203.06956	0.3
206.11781	0.6
207.06567	0.5
218.15494	0.4
219.06529	0.4
219.10196	0.4
220.13367	0.7
223.05882	0.3
226.53612	0.3
234.14806	0.4
235.06020	0.6
236.16431	4.4
237.16815	0.4
246.14877	5.8
247.09683	1.8
249.07535	0.3
249.11206	1.7
250.14178	0.3
262.18033	0.4
264.19556	0.8
274.18134	0.3
276.15863	0.7
286.18066	0.3
287.05399	0.4
291.27838	0.3
292.18912	0.7
318.17007	1.1
320.18503	10.7
321.18805	0.5
327.08463	0.5
330.16803	0.5
341.10339	0.6
342.20328	0.4
344.18484	7.5
345.18875	0.6
360.18015	0.7
403.20041	0.3
418.22153	100.0
419.16785	0.3
419.22446	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	419.0971
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03438	0.1
57.52280	0.1
58.17804	0.1
61.65521	0.1
65.03930	0.2
66.64368	0.1
67.01852	0.1
68.99777	0.8
69.03413	0.2
70.49144	0.2
70.49495	0.1
79.05477	0.3
81.03416	0.1
89.03904	0.2
93.07054	0.1
95.04958	0.1
97.02904	0.1
103.05430	0.2
105.03380	0.4
107.04942	0.4
109.02865	0.3
111.00209	0.1
111.00816	0.9
111.04423	0.2
116.07081	0.1
119.00433	0.1
119.04974	0.2
121.02857	3.5
121.03795	0.1
121.06471	0.1
127.03905	0.1
131.04915	0.3
133.02843	0.6
135.04405	0.3
137.02342	1.0
137.05952	0.4
141.06955	0.1
145.02823	0.2
145.06456	0.3
147.04404	0.6
151.03908	0.2
153.01813	4.7
154.02164	0.1
157.06528	0.5
161.05951	0.3
163.03877	0.7
163.07515	0.5
165.01831	2.2
166.02301	0.1
167.07120	0.2
171.04401	0.3
173.76917	0.1
175.03897	0.1
175.07576	0.2
177.05438	0.1
177.09070	1.5
181.04948	0.1
183.02908	0.9
185.05954	0.4
189.05501	0.1
191.06993	0.1
197.05975	0.3
203.03319	0.1
203.07001	0.2
213.05409	1.8
217.05133	0.2
221.11780	0.1
223.06046	0.2
231.06438	0.9
241.04927	1.1
243.06567	0.2
258.05176	1.3
259.05890	0.6
261.96506	0.1
269.04398	0.2
287.05466	100.0
288.05807	5.3
419.09500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03432	1.5
60.59425	0.6
65.31874	0.5
69.03411	0.8
69.71457	1.1
69.71807	1.3
70.06560	0.7
71.04983	4.0
72.08145	4.6
73.02898	1.8
74.06074	4.2
79.05480	0.6
84.08147	0.6
85.02895	7.1
86.09703	3.4
97.02846	0.7
98.22745	1.2
105.07018	3.4
129.05455	3.0
133.06470	5.9
137.05962	12.5
144.04774	1.2
147.06503	1.0
154.33563	0.6
155.03145	0.9
161.09163	1.1
165.09119	3.1
171.07669	1.3
173.12862	0.7
175.07536	1.6
181.08524	0.7
183.10187	2.6
185.04265	1.6
189.08691	1.0
219.13324	0.6
229.06802	3.4
231.17078	0.7
248.30132	0.6
257.13809	2.9
270.14456	1.4
317.08383	49.1
318.08774	1.8
340.39633	0.6
419.15167	100.0
419.22269	11.1
420.15866	8.1
420.22388	1.1
439.08240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23519	0.8
66.17336	0.9
69.26273	4.8
70.02943	0.8
72.08143	2.8
73.02888	1.4
74.06070	2.7
85.02890	1.6
86.09692	1.7
89.75094	0.8
98.23379	1.5
133.06506	1.3
137.05960	2.4
154.93867	0.9
159.09343	0.8
160.80385	0.9
165.09024	1.0
171.43922	0.8
185.04222	1.4
229.06863	2.3
278.79663	0.8
317.08380	50.0
419.15140	100.0
420.15451	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	419.1697
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
54.19685	9.1
60.13677	11.2
70.06588	12.8
72.08131	14.3
74.77131	11.6
79.05510	14.3
81.03416	31.2
84.04496	12.2
86.09712	29.3
91.05467	21.3
91.79084	12.5
95.04958	13.5
105.07072	18.6
107.04941	16.9
116.04954	17.2
117.07015	33.0
121.06476	14.2
124.03921	20.3
129.06938	12.6
131.04956	17.1
137.05960	38.9
140.78270	9.7
145.06464	32.9
151.07518	12.1
155.05981	12.2
161.05911	12.1
163.07545	24.1
167.07021	98.9
173.05997	46.8
174.02917	21.6
175.07669	11.2
177.09102	100.0
181.04938	17.2
190.06230	27.4
205.08618	54.5
210.98282	10.1
217.08566	32.6
247.07509	11.8
272.15848	14.6
282.08838	15.4
287.05417	98.8
315.08533	40.3
330.11011	66.1
383.14816	27.4
419.14703	17.7
420.10291	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	16.9
59.85456	9.6
66.03238	8.9
69.48315	41.5
70.06596	28.1
72.08137	15.4
78.80423	8.4
79.05477	15.4
81.03400	45.3
95.04998	10.2
95.32414	10.1
98.86217	10.5
105.06983	10.9
107.04945	23.1
117.07008	27.7
121.06512	15.0
123.04416	12.5
130.05014	10.4
131.08578	13.7
132.53452	11.4
137.05949	12.5
144.05551	12.5
145.06476	54.9
153.05423	9.7
154.52295	9.3
155.06004	11.2
156.05664	14.8
159.07999	15.7
161.05977	14.2
167.07028	100.0
173.05948	80.3
175.07451	12.1
177.05481	23.6
177.09149	20.4
181.04987	19.8
181.08539	10.6
190.06218	30.6
203.07063	12.0
205.08591	90.5
208.05170	20.6
209.07994	11.8
217.08485	59.2
247.09535	16.8
247.87032	11.9
269.08023	17.1
285.33743	10.6
315.08521	67.3
330.10971	79.3
383.14954	22.1
401.16006	17.0
419.17139	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	419.1696
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
55.01868	14.1
55.05515	5.9
63.38843	5.5
65.85475	4.6
65.85878	4.8
66.82605	4.3
69.03432	5.5
70.06541	7.0
71.04922	5.8
79.05487	16.8
81.03403	39.1
83.04975	5.9
83.24719	4.5
85.02876	6.8
91.05456	10.3
95.04942	7.6
100.11258	9.2
103.05452	7.7
103.48146	5.5
105.07011	14.5
106.73700	5.4
107.04955	21.3
115.05435	23.9
117.07010	25.9
123.04433	7.7
127.03902	6.0
131.04977	9.1
133.06467	12.7
137.06100	6.2
142.08598	5.9
144.05653	6.1
145.06467	49.6
146.91928	4.8
147.04356	7.1
153.05420	7.7
155.06015	6.0
156.05696	15.8
159.23015	4.9
161.05980	17.7
163.03876	6.8
163.07576	5.3
167.07010	87.8
167.08308	6.7
168.07430	8.6
170.05696	8.3
173.05959	73.9
177.05447	6.8
180.07809	10.4
181.04970	34.5
181.08315	5.5
182.05260	10.0
182.15359	5.2
187.07523	11.1
190.06166	31.7
191.07008	20.6
191.98779	5.2
193.08571	12.1
202.06215	6.8
203.07028	7.9
205.08557	100.0
207.06609	5.7
208.05092	6.3
209.08038	23.0
210.14824	7.3
217.08582	49.8
235.09651	12.8
247.09641	10.4
315.08630	20.3
330.10919	16.3
351.12192	9.6
383.14874	11.4
401.15714	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	419.1908
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
57.03423	1.7
66.62199	0.7
70.69975	1.3
72.08140	3.0
73.02909	1.4
75.04463	1.8
85.02871	1.7
86.09690	1.3
91.05490	1.0
105.07023	8.4
107.60756	0.9
130.33615	0.9
133.06485	21.0
133.07486	1.0
137.05966	37.0
140.30383	0.8
163.07582	1.9
165.09099	13.4
169.84956	0.9
183.10165	7.6
221.11711	1.8
229.06807	3.2
239.12802	1.3
257.13843	8.2
317.08386	44.7
318.08768	2.4
363.43448	1.0
419.15164	100.0
420.15570	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	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47200	0.9
57.03422	3.1
69.63831	0.9
70.06575	1.8
71.04982	1.0
72.08142	2.4
73.02914	1.3
75.04462	2.3
79.05474	2.1
84.04453	0.9
85.02897	2.2
86.09709	7.9
95.01080	1.3
98.54826	0.9
104.05290	1.3
105.07024	14.6
107.04913	1.6
113.02110	1.5
122.03647	1.6
133.06483	27.0
137.05966	60.0
138.06325	1.7
143.44771	0.9
163.07449	2.2
165.09114	17.5
166.09424	1.1
175.07446	1.4
181.08586	1.9
183.10138	14.3
184.10393	1.2
185.04169	2.1
185.16461	2.1
201.03688	7.4
203.05090	1.5
207.08104	1.2
213.15938	1.0
229.06783	3.1
239.12730	1.8
257.13800	12.0
285.83191	1.0
296.66559	1.0
317.08401	40.4
318.08682	1.9
356.17990	6.9
376.09891	2.9
419.15118	100.0
419.22171	3.4
420.09067	5.4
420.15875	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	419.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.0
67.05478	6.5
69.03387	5.4
70.06580	6.7
71.04973	3.5
71.44572	4.3
72.08152	4.6
79.05476	6.3
81.07058	11.1
85.02892	10.6
86.09689	6.6
91.05481	6.2
91.07583	6.9
93.07051	6.9
95.08603	7.4
97.02892	7.0
98.97555	4.0
105.06993	4.6
109.02892	3.9
116.04958	35.7
124.03932	41.7
127.03907	4.3
136.07568	5.8
137.05949	5.2
149.02304	5.9
163.03790	3.4
177.09158	4.8
198.05867	3.4
213.07368	7.4
253.10931	5.0
255.08319	3.4
255.24162	3.7
257.09131	27.0
257.14362	3.4
267.66080	3.4
271.12149	7.7
272.02448	3.9
273.13757	4.3
287.05432	13.3
339.10510	4.2
359.09332	8.8
375.75717	4.0
401.10416	10.9
419.11499	72.4
419.19827	100.0
420.11749	4.6
420.20444	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3517
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03949	2.6
55.01857	9.3
55.05505	36.4
57.03415	2.0
57.07061	16.8
65.03915	3.4
67.05500	42.7
69.07062	47.4
69.75352	7.5
71.08622	8.1
77.03893	2.3
79.05474	11.7
81.07047	67.1
82.07391	2.3
83.04981	22.4
83.08611	27.9
85.06527	4.7
85.10167	3.2
91.05468	19.9
93.06441	4.5
93.07036	87.8
95.04955	11.4
95.08597	89.9
95.09209	4.7
96.08942	2.4
97.06541	5.3
97.10151	15.9
98.98456	3.0
105.07014	9.3
107.08594	24.1
109.06505	5.3
109.10138	32.4
111.08069	40.0
111.11707	10.1
112.07401	1.9
112.08321	2.5
119.08559	12.6
121.06508	11.9
121.10138	9.0
123.08031	10.6
123.11688	19.4
125.05960	2.7
125.09586	4.7
125.13245	2.8
127.07553	9.5
133.10129	7.3
135.08025	8.7
135.11722	6.3
137.09555	10.0
137.13223	7.4
139.07521	56.5
145.10132	4.4
147.11627	5.7
149.09590	4.3
149.13228	4.9
151.11169	9.3
151.14798	4.9
153.09077	22.6
157.08569	4.6
159.11684	7.7
161.13248	3.4
163.11148	11.7
165.09088	6.8
165.12750	7.2
167.10712	10.4
175.11147	3.0
177.12654	2.4
179.10634	8.2
179.17833	2.3
181.12196	57.1
187.11145	3.1
187.14745	2.9
189.12733	4.3
191.10738	2.5
193.12230	11.6
195.13776	20.4
205.12184	18.7
205.85680	2.3
207.13840	13.2
207.20943	2.8
209.11691	18.6
209.15309	5.5
219.13768	11.0
221.15341	3.3
223.13239	3.6
233.15198	2.4
237.14815	9.8
247.16837	4.0
249.18480	3.7
251.20041	3.3
261.18442	6.7
263.20053	4.0
267.49075	2.1
275.20044	14.1
278.18781	2.4
289.21463	2.6
291.23230	3.8
305.24695	3.4
321.27954	2.4
372.85321	2.2
383.32913	3.0
401.34064	33.9
402.34097	2.4
419.13959	2.7
419.35065	100.0
420.35269	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.7
55.12938	1.0
57.03435	14.2
59.04977	2.4
61.02631	1.3
61.02921	14.5
65.03927	1.1
69.03423	24.1
69.17513	7.5
69.46749	1.3
70.06573	1.3
71.01344	3.3
71.04983	1.8
73.02910	69.2
80.50425	1.1
81.03407	5.0
84.90965	1.0
85.02896	60.9
87.04467	2.4
91.03941	2.7
91.05472	100.0
92.05798	3.1
97.02882	54.2
98.03223	1.4
98.23548	2.4
99.04437	3.1
103.03943	3.8
105.07027	4.1
109.02851	4.8
115.03915	27.1
117.07011	2.8
127.03906	20.2
129.06979	3.1
131.08549	2.0
133.04955	29.0
133.06476	5.3
134.96431	1.0
137.05908	1.4
145.04944	25.4
145.06459	3.3
150.07597	3.0
152.98235	1.0
157.04987	1.5
157.06445	3.3
159.08051	1.4
161.04390	1.8
163.05991	9.1
171.07962	1.8
175.07530	2.2
181.04915	1.5
185.65495	1.2
187.07526	1.5
205.08583	3.7
217.08591	3.4
223.06009	4.7
235.09619	1.2
241.07053	5.0
253.10551	2.4
259.08105	6.5
295.10321	1.2
318.08875	1.7
328.88361	1.4
390.11655	1.4
420.15329	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	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
57.03413	1.4
57.07069	2.0
67.05501	4.4
69.03402	3.1
69.07072	2.9
70.03846	2.2
70.04181	3.2
75.97151	1.4
78.11903	1.5
79.05499	8.5
81.03392	2.6
81.07047	100.0
82.07356	2.3
85.02879	7.1
87.00830	2.1
93.07053	2.4
95.08583	18.2
97.02879	6.3
99.04402	1.8
104.99292	1.7
105.01846	5.7
107.64992	1.5
109.02885	2.2
109.10177	2.0
127.03904	6.6
137.13243	21.5
138.13557	1.5
145.04958	4.9
155.01237	1.4
185.68443	1.5
203.28708	1.4
231.04871	1.8
421.22009	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	420.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
53.78159	0.4
55.01868	0.5
55.05491	0.7
57.03423	0.7
57.07065	2.4
61.02910	0.7
67.05492	4.1
69.03419	3.1
69.07054	3.4
71.08645	0.4
71.31620	0.6
73.02899	0.4
74.59220	0.4
76.50797	0.4
78.69751	0.4
79.05479	8.4
81.03403	2.4
81.07042	100.0
82.07375	1.7
85.02893	8.2
87.00324	0.6
87.00810	3.7
93.07035	0.7
95.08587	22.1
97.02872	6.4
99.04450	1.6
105.01850	7.1
107.08577	0.8
108.04461	0.5
109.02863	1.8
109.10150	1.6
111.03680	0.5
120.20554	0.4
127.03899	8.8
127.04841	0.5
137.13228	18.8
138.13608	0.6
145.04938	5.5
159.02901	1.8
165.09128	0.5
198.12364	0.4
203.10515	0.5
231.04961	2.5
249.06158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05523	0.9
56.21380	0.8
57.03424	1.2
60.99855	0.7
67.05485	2.5
69.03092	0.6
69.03417	4.2
69.07050	1.5
70.06609	0.7
71.04977	2.3
71.44212	0.7
74.06042	0.9
79.05472	1.1
81.03410	1.5
81.07031	1.9
83.04966	3.4
84.04429	0.6
85.02899	9.2
87.00784	1.2
91.05461	1.9
93.07031	3.2
95.04949	2.4
95.08591	3.8
97.02880	2.3
97.06504	1.5
98.97515	0.8
105.06996	2.1
107.08571	2.0
109.02833	1.9
109.06487	1.7
109.10147	2.9
116.63146	0.7
119.08556	2.2
121.06501	1.3
121.10127	3.0
123.08052	100.0
124.03940	3.1
124.08379	2.2
125.09647	1.0
127.03889	2.0
131.08534	1.0
133.10124	2.1
135.08038	2.0
135.11717	1.2
136.07478	1.1
137.05984	4.0
137.09612	1.7
139.07541	1.4
145.04855	1.2
145.10103	1.8
147.08028	0.8
149.05884	0.8
151.11176	2.0
153.09003	1.0
159.11676	2.0
161.09612	12.3
163.11119	3.5
165.09027	0.8
177.12791	1.6
179.10645	38.6
180.10941	1.7
181.12177	1.4
197.11708	7.7
198.12212	0.7
205.12230	4.9
216.05925	1.5
223.13261	15.6
224.13576	1.0
227.07219	0.8
241.14326	8.9
242.14433	0.9
244.05519	0.9
259.09894	0.9
286.05209	1.9
287.05878	3.3
288.05588	1.2
403.10587	1.1
421.11261	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	420.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41095	4.8
55.01859	14.5
55.05509	91.8
57.03418	18.9
57.07063	8.2
67.05503	64.7
69.03423	8.2
69.07053	20.3
70.06586	13.5
71.04983	7.0
71.08621	9.1
77.19419	5.6
79.05482	57.2
81.03410	34.6
81.07046	47.6
83.04967	21.1
83.08608	55.8
85.06505	7.6
88.07638	12.7
91.05493	29.6
93.07022	41.0
95.04937	21.1
95.08568	17.5
97.06514	6.6
97.10153	100.0
99.08085	5.8
102.09149	6.9
104.99250	18.8
105.07014	22.7
107.07959	7.0
107.08582	47.2
107.96682	7.4
108.46232	4.9
109.06494	6.7
109.10147	23.4
111.08073	7.4
119.08559	12.2
121.06445	5.3
121.10115	8.3
125.09619	66.9
127.99809	6.0
131.08498	8.2
133.10095	12.0
135.08034	8.0
135.11678	15.6
140.14320	5.5
143.10684	7.5
147.04399	14.4
147.11699	11.1
151.11121	6.2
157.10115	9.4
175.03897	28.6
189.11205	45.8
193.12254	12.8
205.04953	6.3
219.06537	51.1
227.12761	70.5
228.23238	37.9
229.14388	12.4
245.13879	53.4
256.78546	6.0
274.97482	11.4
277.21606	32.5
309.62473	5.2
318.37106	7.3
338.96512	17.6
351.25269	51.0
373.52921	6.4
420.27280	54.1
421.19321	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	421.149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99796	7.8
55.07338	6.3
60.21165	7.8
65.03949	14.3
67.87698	6.8
69.63572	10.8
69.63969	20.2
81.07035	9.1
91.05470	10.2
92.61031	6.8
95.04993	12.9
104.99252	16.5
107.08582	9.4
121.06429	11.7
125.05981	8.2
137.05957	14.7
171.06422	8.4
181.04938	100.0
205.04918	14.1
213.09164	8.2
274.97565	14.2
301.10715	12.3
332.02020	10.6
333.13263	34.3
338.96985	16.4
356.98050	11.0
357.02417	9.4
360.01282	22.8
375.03693	36.2
393.04916	9.3
421.09335	26.7
421.21881	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1677
Annotation	Pomiferin
Peak:m/z	Relative Intensity
57.59502	0.3
58.91763	0.4
59.02114	0.4
68.12889	0.4
69.54568	0.4
70.56181	0.9
83.00546	0.4
84.37325	0.4
92.49535	0.4
154.03186	0.5
157.07526	0.5
275.07352	0.4
289.12570	4.8
335.09433	0.5
372.88745	0.4
421.16748	100.0
422.11224	0.8
422.17181	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1679
Annotation	Pomiferin
Peak:m/z	Relative Intensity
69.78219	0.3
69.78548	0.9
72.08139	0.3
73.12373	0.2
115.03944	0.4
130.06589	0.3
153.24493	0.3
157.07597	0.5
242.09195	0.5
254.43533	0.3
289.12540	6.3
333.59854	0.3
368.85049	0.3
421.16742	100.0
422.17172	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	421.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18273	1.9
54.50542	1.6
55.01864	2.4
55.05493	4.3
56.05041	4.6
67.05501	10.8
69.03420	2.1
69.07060	4.7
70.60426	2.3
70.60753	2.9
79.05473	9.2
81.07050	13.6
83.04980	4.8
83.06094	31.6
83.08589	2.9
84.04493	100.0
85.02898	2.5
85.06530	1.8
86.90260	2.0
91.05463	11.2
93.07030	15.0
95.04958	3.8
95.08573	5.5
101.07125	17.3
102.05526	17.1
104.99245	6.2
105.06982	10.8
107.04947	2.8
107.08559	7.6
109.06470	3.4
109.10117	5.3
117.06963	2.4
119.08537	9.0
121.06477	3.6
121.10126	6.1
129.06573	38.7
130.04988	75.7
131.08560	10.0
133.10101	6.9
135.08081	3.7
135.11676	4.6
145.10085	7.9
147.07629	31.9
147.11665	6.2
149.09668	2.5
149.13208	3.1
157.10042	2.7
159.11679	4.8
161.13235	2.1
163.11108	2.2
170.06012	3.3
171.11757	2.9
173.09576	2.8
173.13255	3.2
183.11687	2.6
197.13051	2.1
214.92041	1.9
215.14229	2.3
257.18915	6.9
275.20010	75.0
276.20206	4.5
292.22668	26.5
329.86646	2.0
338.96762	8.5
358.23669	6.3
376.24777	12.7
403.25739	10.5
404.24301	15.6
421.21182	2.5
421.26300	8.7
421.66061	2.1
443.53711	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	421.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07795	2.2
55.01874	5.0
55.05510	12.3
57.03431	13.0
57.07067	40.7
67.05491	11.7
67.94334	1.9
68.14246	1.9
69.07067	13.5
69.29318	7.1
69.29726	3.8
79.05486	11.7
81.07039	20.4
83.04968	4.0
83.08617	6.2
85.06525	18.6
85.07008	3.2
88.07626	2.4
91.05455	7.2
93.07026	15.2
95.04952	2.4
95.08593	16.0
97.06472	5.1
97.81655	2.2
102.62296	1.9
104.18444	1.9
104.99274	6.8
105.07002	10.7
107.08559	18.9
109.06493	14.6
109.10141	5.9
111.04408	2.0
111.08076	4.9
112.71462	2.2
117.65453	1.9
119.08564	8.5
121.10098	9.9
123.08032	12.7
125.05963	3.8
131.08502	2.3
133.10114	6.9
135.08028	14.2
135.11646	6.3
137.05959	24.2
137.09602	2.0
139.07491	2.4
145.10144	3.9
147.11627	6.5
149.09686	2.4
149.13245	4.2
151.07532	6.6
151.11191	4.1
153.12752	3.8
157.10129	3.2
159.11653	2.5
160.63701	2.1
161.09619	3.0
162.02997	2.9
165.09085	3.0
165.12729	9.6
171.11678	2.3
175.11147	3.6
177.12740	6.4
191.14223	4.3
193.12213	2.2
207.13840	10.1
254.13960	2.0
263.19992	5.1
274.97595	2.9
290.38116	2.2
305.24844	2.3
319.26169	10.9
329.24576	4.4
337.27155	5.9
338.96585	7.1
339.18961	3.2
347.25711	100.0
348.26016	6.5
365.26941	20.2
393.29990	10.5
403.28183	4.2
421.29431	59.9
422.29645	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	421.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.8
55.05499	13.5
55.88937	1.9
57.03435	11.4
57.07071	12.3
65.03913	1.8
67.05498	25.3
69.03416	1.9
69.06705	2.0
69.07062	29.8
71.04980	3.1
71.08602	2.9
72.64002	1.6
75.57939	1.9
79.05483	19.1
81.07051	33.2
81.47372	1.5
83.04967	5.3
83.05579	1.3
83.08613	7.9
85.06541	8.6
86.17895	1.5
91.05459	8.6
93.07030	28.0
94.65776	1.4
95.04949	5.3
95.08595	27.9
97.06532	11.3
97.10177	3.6
98.97626	1.4
99.08060	2.0
104.99243	1.9
105.07008	11.0
107.08583	29.6
109.06498	14.7
109.10152	10.4
111.04433	4.9
111.08054	6.4
111.11737	1.6
119.08551	10.0
121.06486	1.6
121.10125	12.5
123.08047	14.7
123.11682	3.0
125.05962	8.2
131.08534	2.9
133.10103	6.8
135.08029	24.8
135.11678	16.6
137.05956	17.7
137.09615	3.0
137.13206	2.7
139.07500	1.9
143.08575	2.0
145.10101	5.7
147.08029	2.3
147.11662	5.4
149.09558	2.8
149.13225	4.4
151.07504	9.2
151.11165	2.0
153.12701	4.2
157.10110	3.0
159.11650	2.6
161.09596	5.0
161.13284	2.9
163.11186	3.7
165.09077	3.6
165.12689	5.0
167.14281	3.8
173.13245	3.6
175.11191	3.4
177.12726	8.9
177.16283	2.6
179.14255	5.5
181.12242	9.6
187.14935	1.5
191.14169	1.7
193.12115	1.9
195.13806	1.4
205.15781	1.6
217.14314	2.6
221.18990	7.3
223.13120	2.1
235.20543	3.8
249.18462	2.2
260.09381	1.6
263.19971	4.2
301.25244	3.1
305.21521	3.5
305.24695	81.5
306.24976	3.8
319.26303	32.0
329.24640	5.6
337.27118	2.7
338.96683	3.4
347.25766	100.0
348.26086	5.4
365.26965	9.1
393.29837	6.2
403.28241	2.2
421.25372	6.4
421.29785	42.7
421.34479	2.8
422.29855	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	421.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
55.05504	8.6
57.03429	11.0
57.07064	36.3
59.64422	2.2
60.36116	2.4
67.05481	11.7
69.07051	10.6
76.79174	2.3
79.05482	7.0
81.07050	25.0
83.04974	3.7
83.08614	4.0
85.06549	13.8
88.07639	2.9
91.05476	6.0
93.07052	13.9
93.45700	2.1
95.04960	4.5
95.08596	16.1
97.06517	4.3
98.63708	2.2
104.99261	5.3
105.07024	7.8
107.08585	14.2
109.06483	15.3
109.10156	5.5
111.04474	2.6
111.08046	3.4
119.08575	7.7
121.10115	6.8
123.08057	13.4
125.05982	3.4
131.08484	2.8
133.10132	6.6
135.08022	17.7
135.11703	7.4
137.05936	19.8
137.13187	3.4
147.04356	2.7
147.11661	3.0
149.02350	3.1
149.09579	4.6
149.13225	4.5
150.13034	2.5
151.07518	10.0
159.11671	3.8
163.14749	3.2
165.12744	7.2
167.10599	2.2
168.87886	2.3
177.12685	7.9
179.14336	2.7
191.14146	2.8
207.13748	8.0
231.17726	2.4
233.19054	3.6
256.26517	2.8
262.98044	3.2
263.20032	6.1
274.97412	3.4
319.26227	17.0
329.24561	8.1
334.73743	2.5
337.27295	6.6
338.96756	6.6
347.25739	100.0
348.25995	7.9
356.97552	2.4
365.26877	17.7
393.29779	14.5
403.24237	3.2
421.25299	16.3
421.30020	50.6
432.71964	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	421.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09009	1.4
55.01857	3.6
55.05502	6.9
57.03446	7.4
57.07059	4.8
63.07686	1.4
67.05495	14.2
68.05058	1.6
69.07061	15.4
69.30647	1.5
70.59447	1.6
73.68446	1.6
79.05496	12.7
81.07046	20.9
83.04973	3.9
83.08592	4.4
85.06526	4.9
89.06051	2.0
91.05457	11.5
93.07040	15.6
95.04970	3.7
95.08587	18.3
97.06520	7.4
97.10179	1.8
101.26843	1.5
104.99261	3.5
105.07014	9.1
107.08575	15.9
107.61813	1.6
109.06504	14.2
109.10139	5.9
111.04415	2.5
111.08038	3.1
117.07054	1.9
119.08542	8.0
121.06471	2.2
121.10130	4.5
123.08033	8.8
123.11707	2.0
131.08521	3.4
133.10121	6.5
135.08028	83.0
135.11668	7.3
136.08365	2.9
137.05972	6.2
145.10130	4.4
147.11681	5.7
148.08754	2.0
149.09622	6.7
149.13287	2.5
151.07559	4.2
151.11162	2.7
157.10161	3.2
159.11670	3.8
161.09593	8.3
161.13284	3.2
163.11253	3.6
165.12694	2.5
171.11688	2.7
175.11250	4.1
177.12711	22.6
178.13100	1.7
179.14250	3.6
181.12163	3.3
189.12697	2.1
191.14326	2.3
193.12219	2.2
203.14310	3.0
205.15950	2.2
274.97485	2.4
292.98480	2.2
301.25232	1.8
305.21136	1.5
305.24686	29.0
319.26221	8.7
329.24716	18.4
332.94519	1.5
336.68848	2.4
338.96799	4.3
339.19101	9.4
347.25748	36.6
354.12552	1.6
363.19235	2.1
365.27179	3.6
393.29977	5.1
403.28879	2.5
421.24655	4.4
421.29453	100.0
422.29727	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	421.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.9
57.07066	26.1
67.05499	7.4
69.07068	7.1
70.29692	1.1
71.08621	25.8
71.10084	2.0
73.99879	1.0
77.64234	1.0
79.05479	4.2
81.07047	11.4
83.08602	2.4
85.10172	10.8
89.06017	35.4
91.05486	5.3
93.07023	6.7
95.08598	9.7
97.10167	1.9
99.11737	3.0
105.07018	8.9
107.07079	2.1
107.08581	10.2
109.10154	10.0
111.11700	1.4
113.13289	2.3
117.06997	1.6
119.08572	10.6
121.10123	6.9
122.07317	1.3
123.11694	2.5
125.06028	1.1
131.08565	5.0
133.08575	23.1
133.10085	6.6
135.08032	3.3
135.11679	3.3
137.09599	11.0
138.69472	1.1
143.08549	1.7
145.10078	6.9
147.11644	7.8
149.09637	5.3
149.13278	3.6
151.09628	1.8
157.10173	2.4
159.11647	7.6
161.13239	4.8
163.11200	1.8
165.09091	100.0
166.09418	5.4
171.11661	1.8
173.09650	1.2
173.13268	3.2
175.14796	2.8
177.09053	7.5
177.11203	3.1
177.16449	1.3
179.10640	6.2
185.13290	1.3
187.11325	1.5
187.14828	3.9
189.09157	1.9
189.16331	1.9
190.09846	2.0
191.10709	2.6
193.68066	1.2
195.12108	1.7
199.14824	1.9
201.16371	9.3
203.10712	3.3
203.18022	2.4
205.12221	20.7
215.17906	2.6
219.13797	2.9
225.39081	1.3
231.13805	1.5
233.15326	2.8
239.14938	7.3
243.21037	4.3
257.22607	3.6
269.22668	1.6
339.23126	1.2
341.26627	3.6
379.26358	1.5
421.30826	21.2
422.31445	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	422.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06159	1.1
55.01836	1.1
56.96555	53.0
58.99592	1.0
60.43103	0.9
69.07023	0.9
69.43683	2.5
74.00645	4.2
79.79881	0.8
81.03432	0.8
82.38981	0.8
83.06084	0.8
84.04475	3.6
84.08118	1.2
84.96006	2.4
98.22651	1.9
98.97577	9.2
99.04466	2.5
101.04205	2.9
110.97556	16.9
112.02152	2.5
115.75809	0.9
116.98607	2.6
127.00637	4.8
127.02115	1.2
128.98590	18.5
129.02223	26.4
129.10294	0.9
129.59268	1.0
130.04967	2.6
131.00142	1.7
132.18906	0.8
136.06146	1.9
145.01726	2.6
145.03105	1.9
146.99628	7.3
147.03271	30.5
154.03191	32.2
155.00125	15.1
155.01372	1.4
165.04330	3.7
170.99582	2.0
172.04230	9.2
173.01193	100.0
174.01431	1.5
182.02675	6.6
189.00656	2.7
190.05307	3.9
191.02245	89.3
192.01875	17.2
194.99431	2.2
196.02875	1.1
203.54755	1.0
209.03264	3.7
210.02975	12.7
211.05309	1.1
228.96970	1.3
234.02959	2.9
239.02251	7.8
239.04572	1.5
246.02922	7.2
246.97998	1.2
248.04355	1.3
257.03296	1.9
257.05826	2.7
261.09122	1.4
264.04010	1.8
275.06940	12.6
283.43283	0.9
287.04343	2.0
290.05539	47.3
291.05658	1.7
293.02979	7.0
306.05643	1.6
308.06570	2.3
311.03250	1.7
324.06049	9.1
324.99133	1.5
327.00497	2.1
329.03741	1.3
342.07111	8.7
347.09045	2.4
422.09732	93.2
423.02646	3.0
423.09631	6.6
423.15158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
56.05020	0.7
56.96551	0.5
61.26226	0.4
69.03446	0.5
74.00660	14.5
81.03400	0.9
83.06082	1.1
84.04499	12.4
85.01123	1.0
96.04452	0.7
97.76804	0.4
98.97559	0.9
99.02670	0.8
99.04456	3.0
100.02180	0.9
101.00594	1.7
112.02171	7.9
112.03947	1.7
113.00570	0.5
115.02146	1.2
116.98570	0.5
126.03759	2.7
127.02135	1.8
129.00058	1.6
129.06586	1.8
130.04988	5.7
140.01648	1.0
145.03172	4.8
146.02707	0.5
153.06557	0.7
154.03197	100.0
155.01636	2.1
155.03551	2.3
171.01067	0.5
171.45334	0.4
172.04247	11.5
173.02664	5.2
181.06038	0.6
182.02689	21.8
185.03763	0.9
190.05313	12.1
211.05362	2.2
219.01936	2.0
231.04341	1.1
238.05363	0.5
239.04808	3.4
256.06107	0.5
257.03519	0.6
257.05878	12.8
258.04242	1.1
258.99854	0.7
275.06927	41.5
276.07257	2.0
293.07886	0.5
299.04565	1.3
301.00827	0.7
317.05753	0.8
329.07889	0.7
347.08960	8.0
348.09265	0.5
377.18710	0.5
396.29871	0.5
397.29636	0.5
405.09366	0.7
422.12167	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	422.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
55.86268	0.6
56.05027	3.0
58.06621	0.6
63.56625	0.6
64.70422	0.7
67.05492	1.0
69.03394	0.9
69.93415	2.0
74.06067	8.2
79.05514	1.2
81.07042	2.5
84.04484	2.4
86.09693	100.0
87.10019	1.0
91.05459	1.2
97.02882	1.1
98.06031	1.6
105.07065	1.0
106.06566	0.9
107.08606	1.1
109.10140	1.6
119.08590	1.6
120.08086	12.5
121.08399	0.8
121.10139	0.9
126.05472	4.6
130.04933	1.7
133.10085	1.2
143.51895	0.8
147.07697	0.7
148.06075	0.8
154.03185	2.2
166.08615	6.8
187.14433	1.1
195.11302	3.9
211.14325	1.3
239.13864	11.5
253.61035	0.7
259.09888	1.0
275.07593	1.0
279.17038	7.9
360.18964	1.1
389.72964	0.8
422.22092	4.7
423.19473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.4
55.57132	5.1
57.03416	4.9
62.05632	5.5
67.05477	15.4
69.03414	8.5
69.07059	8.2
70.72674	5.9
70.73001	6.4
72.38805	6.1
79.05494	7.4
81.07037	26.8
83.04953	11.1
85.02878	29.0
88.37602	5.0
91.05419	6.0
93.07016	8.0
95.04938	9.0
95.08577	17.5
97.06531	10.6
99.04439	57.7
99.08092	6.1
105.07014	8.6
107.08557	15.9
109.06494	13.0
109.10134	26.6
111.08031	7.3
116.04915	9.2
119.08569	22.2
120.52743	5.2
121.10139	39.9
123.04409	11.1
123.08018	42.0
123.11694	9.4
127.07535	7.5
127.11153	5.4
133.10080	7.0
135.08044	6.2
135.11615	6.9
137.09581	18.8
137.13211	7.8
138.00398	5.5
147.11642	10.4
149.09613	13.0
151.11176	10.5
154.03166	9.2
161.13229	14.4
163.11160	15.5
165.12695	15.2
172.07672	5.4
179.14293	21.3
181.12204	16.6
183.13754	9.0
189.08937	5.8
189.12689	22.9
203.05301	6.1
207.13788	40.2
225.14813	100.0
226.15158	7.0
237.00635	7.5
243.15875	8.7
261.07559	8.0
270.07513	6.3
390.32846	5.2
423.12540	16.1
438.08734	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	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68413	8.8
62.68477	9.6
67.05491	15.6
69.03436	13.0
69.07053	12.5
69.44127	8.1
69.86073	21.2
70.06584	15.3
71.04982	21.5
71.22493	9.2
74.31910	9.0
79.05480	13.0
81.07043	66.5
83.04972	28.7
85.02888	58.4
93.07037	21.0
95.08598	35.3
97.04232	9.5
97.06538	28.5
99.04443	39.2
99.08129	14.6
100.75710	9.0
105.07005	27.6
107.08609	37.3
109.10160	69.7
118.57468	9.0
119.08570	28.4
121.06441	12.3
121.10120	61.0
123.08050	67.4
123.11684	12.7
133.10065	16.8
135.11665	15.5
137.09599	48.5
145.10101	12.5
147.11678	34.8
149.09599	27.3
151.07567	18.5
159.99907	9.5
161.13266	40.9
163.11218	45.6
165.12729	12.1
179.14339	17.0
181.12172	49.1
189.12805	58.8
207.13741	80.4
225.14830	100.0
243.15877	16.9
288.50772	9.5
399.20126	10.2
423.12555	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	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	21.2
58.99581	8.9
61.02916	8.8
67.05495	17.4
69.03411	17.3
69.07056	9.2
70.62434	6.9
71.05000	9.1
71.41846	6.5
72.08122	6.8
73.02909	8.8
79.05473	13.5
80.75970	6.7
81.07043	34.5
82.94209	8.6
83.04974	15.4
84.08144	12.0
85.02892	33.2
85.06544	8.9
91.05460	18.0
91.92639	7.3
93.07037	14.0
95.04939	17.7
95.08588	52.0
97.02882	18.3
97.06520	14.2
99.04464	50.8
105.07014	20.3
107.08574	32.8
109.06503	23.4
109.10136	70.5
117.92758	8.0
119.08573	47.0
121.10143	100.0
123.08062	66.8
123.11692	16.4
127.03894	10.2
133.10089	17.1
135.11688	11.2
136.07590	24.1
137.05952	8.9
137.09605	82.9
137.13251	7.9
140.04697	11.1
147.04343	8.6
147.11685	34.2
149.09602	43.9
151.07477	11.6
151.11150	18.0
161.13255	43.8
163.11143	21.6
165.12738	21.2
173.85034	7.8
179.14314	17.7
181.04959	10.5
189.12784	38.7
207.13748	75.4
215.24225	7.3
225.11336	8.9
225.14792	82.3
241.09633	13.5
243.11356	8.8
255.11362	13.3
301.11707	21.9
314.27490	7.5
316.11490	7.6
337.18781	8.2
404.12589	13.8
422.13528	29.5
422.24167	10.1
423.12061	20.6
423.25421	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	423.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46143	0.6
81.03445	0.7
81.07034	0.9
84.08114	0.7
85.02893	0.8
86.09681	1.5
91.05459	1.4
99.04449	0.7
105.07034	0.6
108.80095	0.7
109.02837	0.7
119.08601	0.7
120.08116	4.3
121.10187	0.7
136.07607	1.2
145.10118	0.6
159.11652	0.6
163.03938	0.6
164.07021	0.7
167.03183	1.0
167.07031	1.0
174.02879	1.1
175.03645	6.7
177.10252	1.3
185.04282	1.6
186.05469	1.0
209.26457	0.6
219.13429	0.7
227.05225	4.8
271.04236	8.0
301.76758	0.7
308.01395	0.6
337.08832	7.1
361.08780	1.4
379.09933	55.3
380.10303	2.0
411.89969	0.7
423.08908	100.0
424.09421	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	423.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	2.8
57.35038	1.9
69.03395	2.5
69.07060	3.3
78.10639	2.2
84.08125	2.5
85.02900	4.7
98.97577	11.4
101.04260	5.1
110.97528	2.5
116.98642	5.2
150.21904	2.2
154.03236	7.4
155.03526	7.3
158.99678	4.1
163.96663	2.4
172.04256	17.0
177.00621	4.2
182.02936	2.2
194.99080	2.3
198.98595	5.0
201.00795	4.1
213.00482	2.1
216.99701	2.3
219.01807	7.8
237.02888	7.1
261.02725	5.1
275.07129	3.3
276.07278	3.0
283.00800	4.1
346.07529	2.5
423.12296	100.0
424.12570	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	4.4
63.10438	2.0
67.05494	2.9
69.07059	2.7
70.06592	4.5
85.02889	3.2
98.97570	14.4
101.04227	10.4
116.98637	6.3
134.99664	2.3
135.92101	2.1
138.13641	2.3
154.03220	6.2
155.03503	4.4
158.99669	4.5
172.04214	21.6
173.01244	2.1
174.98643	2.2
177.00771	9.5
183.02982	2.2
198.98679	2.7
201.00737	4.2
214.62740	2.9
219.01685	11.1
229.14406	2.1
237.02855	7.8
244.06467	2.7
257.04715	2.6
261.02942	7.2
261.09128	4.9
279.03842	3.8
423.12619	100.0
424.13455	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	423.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05448	0.5
69.70239	1.8
93.07005	0.5
94.78495	0.5
98.22679	0.9
104.69774	0.5
105.06905	0.5
109.10098	0.7
113.05743	8.8
121.97317	0.4
124.07574	0.5
125.70711	0.4
147.04388	0.8
164.07082	0.6
167.07018	0.6
171.00465	1.6
185.04213	0.9
243.06168	0.7
261.07294	100.0
262.07629	4.0
275.10898	1.5
285.09393	0.7
299.68939	0.5
423.12527	30.2
423.20587	1.2
424.12689	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.126
Annotation	SC-51089
Peak:m/z	Relative Intensity
50.82186	1.2
56.96560	2.2
59.92870	1.2
69.75362	5.4
70.06580	1.8
74.06075	2.0
75.36857	1.1
75.51630	1.2
81.04548	1.4
84.04488	2.9
84.08131	3.4
98.23405	1.9
98.97562	3.8
102.14469	1.2
110.51881	1.3
111.83746	1.2
116.98650	2.6
120.08091	2.0
126.60080	1.2
128.98561	2.3
129.10220	2.7
145.04915	1.4
154.03162	1.7
160.00482	1.2
192.03320	2.3
219.01752	2.1
237.02875	4.9
243.08977	1.5
261.05426	7.0
279.06390	3.6
279.14273	1.3
303.06531	3.1
309.08420	2.0
363.13062	4.5
423.12518	100.0
424.12927	5.7
424.26840	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1647
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
50.22893	0.3
50.85221	0.3
53.99347	0.3
55.05490	0.4
67.05476	0.4
69.07042	0.3
69.27232	1.2
79.05474	0.4
81.07037	0.3
83.04979	0.7
84.69673	0.3
91.05508	0.6
93.07030	0.4
95.08535	0.3
103.05476	0.4
105.07043	0.5
106.12650	0.3
117.06960	0.3
119.08585	0.4
121.06506	0.6
131.04912	1.0
131.08554	0.4
137.80077	0.3
145.10075	0.3
147.04396	0.9
149.05957	0.8
159.04393	0.9
159.08029	1.3
160.05251	0.5
161.05942	0.6
162.03094	1.1
163.03894	0.9
173.09581	0.6
175.03951	0.9
175.07471	0.6
177.05447	13.7
178.05838	0.4
185.05913	0.8
187.03954	0.4
187.07411	0.7
188.04546	0.4
191.03357	5.4
191.07005	0.9
193.05032	0.4
201.09047	0.6
203.03372	14.9
204.04077	1.3
205.04961	2.8
206.05769	0.7
207.10077	0.4
213.05438	0.8
216.04111	0.9
217.04979	1.8
218.05785	1.6
219.06514	1.5
219.10139	0.4
222.31244	0.3
229.08557	1.0
231.06506	9.7
232.06735	0.6
237.00865	0.3
245.08109	1.1
246.08859	4.4
261.11194	100.0
262.11572	5.6
271.05927	1.6
423.10498	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	423.1647
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
55.05494	0.8
67.05464	0.4
68.99801	0.5
69.03391	0.5
69.07057	0.9
69.18980	0.9
69.19390	1.5
70.05163	0.3
70.06550	0.4
72.20277	0.4
73.72358	0.4
74.36052	0.3
81.07038	0.5
83.04951	1.4
87.51963	0.3
91.05475	1.1
93.07002	0.6
95.08585	0.8
103.05463	0.8
105.07020	0.8
107.08596	0.5
119.08556	1.0
121.06519	0.8
121.10071	0.5
129.06989	0.5
131.04912	1.4
131.08531	0.8
145.10127	0.4
147.04401	1.0
149.06010	1.0
159.04391	1.1
159.08020	1.2
162.03098	1.6
163.03926	1.2
173.09537	0.5
175.03894	1.1
175.07762	0.4
176.04709	0.5
177.05447	17.2
178.05870	0.7
185.05949	0.8
187.03891	0.5
187.07538	0.8
188.04677	0.8
191.03358	5.9
191.07019	1.3
193.04930	0.6
201.09077	1.0
203.03374	19.4
203.05090	0.9
204.04021	2.3
205.04971	2.3
206.05731	0.9
213.05434	1.2
216.04143	1.5
217.04846	2.2
218.05664	2.2
219.06490	2.2
229.08589	1.5
231.06485	11.5
231.08705	0.8
232.06953	0.7
245.08073	1.3
246.06511	0.3
246.08817	5.6
261.11191	100.0
262.11502	5.2
422.35345	0.4
423.23804	4.2
424.26654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22273	0.5
59.32982	0.6
69.03417	0.7
69.07059	0.8
70.02600	1.3
70.02930	0.7
79.05491	0.5
81.07041	1.1
83.04950	1.3
91.05506	0.9
93.07024	1.7
95.08581	1.4
103.05418	0.8
105.07048	1.1
107.08574	1.0
119.08582	0.9
121.06467	0.5
123.04398	0.5
131.04910	1.1
133.10083	0.7
147.04358	0.9
149.05971	1.0
150.38416	0.5
156.64105	0.5
159.04411	1.9
159.08034	1.2
161.05891	0.8
163.03900	1.0
165.09077	1.8
175.03786	0.7
175.11092	0.6
177.05450	17.1
179.88968	0.5
185.06020	1.0
187.03787	0.7
188.04625	1.0
191.03343	6.4
203.03357	15.3
203.06931	0.7
204.04044	2.1
205.04918	2.8
206.05620	1.0
211.07425	0.7
213.05426	1.5
216.04236	0.9
217.04932	2.7
218.05681	1.0
219.06409	1.4
229.08466	0.8
231.06506	10.8
243.06615	0.8
245.08264	1.0
246.08820	4.7
261.11188	100.0
262.11542	6.3
271.05902	4.1
423.10779	1.3
423.23822	1.0
424.26938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44814	1.6
51.63654	1.4
55.01888	1.4
56.44054	1.4
56.74896	1.3
61.01150	8.7
62.64447	1.3
66.02068	1.4
69.15836	9.3
72.04513	9.3
73.02907	2.4
74.01208	1.3
78.03780	19.8
81.03403	1.7
83.04960	2.4
85.02880	6.9
86.06046	1.9
86.09691	2.4
88.02199	5.9
92.05814	1.8
94.16792	1.3
95.04976	2.2
95.08643	1.6
97.43032	1.5
98.02425	1.4
98.22680	2.4
99.04449	6.5
99.05543	3.3
102.03745	27.4
103.02156	4.0
103.03922	16.1
109.02860	4.1
113.05986	2.5
114.03757	2.8
114.05467	1.7
120.04810	4.6
124.07555	1.8
125.07097	1.8
126.05489	20.2
127.03872	7.4
131.06375	12.8
132.04774	18.0
136.07639	1.8
139.03900	3.1
141.06630	1.6
142.08624	6.6
147.04318	1.6
149.07419	60.9
152.07021	2.2
154.08620	3.2
158.78737	1.7
159.05864	3.7
175.05367	3.9
180.06538	15.7
184.09663	2.4
198.07616	3.1
209.11572	1.7
216.08665	3.3
231.11588	4.6
255.08315	1.8
261.12607	4.1
275.10577	2.5
293.11600	100.0
294.11920	5.5
329.09299	2.0
405.11536	2.1
405.16879	31.0
423.12878	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01038	1.0
55.05502	2.2
56.18276	0.9
56.98797	1.0
57.69789	0.9
66.07056	0.9
67.05484	3.5
69.07048	2.5
70.06597	1.5
71.85959	0.9
79.05463	3.0
81.07043	4.2
81.08968	0.9
82.42059	1.0
83.08589	1.2
84.04454	1.0
85.02927	1.2
91.05487	1.5
93.07001	3.5
93.49307	0.9
95.08590	6.1
95.41918	1.0
97.16917	0.9
98.97526	1.1
100.11197	2.5
104.99261	1.4
105.01842	1.1
105.07000	3.1
107.08563	4.6
109.10135	5.7
119.08544	3.4
121.10131	3.2
123.11683	1.9
131.08589	2.2
133.10106	4.1
135.08023	1.1
135.11699	2.2
145.10075	2.6
147.11639	2.1
149.13266	1.9
159.11682	2.1
161.13264	2.0
173.13269	1.9
175.14793	1.2
185.04219	2.5
189.16284	2.5
191.17926	1.2
203.17892	2.8
217.19402	1.2
236.76672	1.3
245.77730	1.1
261.14575	100.0
262.14880	6.6
311.21558	1.0
355.80118	1.0
404.74942	1.1
423.19135	34.6
423.24057	7.6
423.35983	4.5
424.20184	2.5
424.27231	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36658	0.9
64.20638	1.0
66.36792	0.8
69.03421	1.1
69.21175	5.4
80.98033	0.9
81.07048	2.5
83.25275	1.0
84.46395	0.9
91.05454	1.5
93.07013	1.3
95.04917	0.9
95.08592	1.7
103.92884	1.0
105.07010	1.3
107.08548	1.6
113.16908	0.9
129.95659	0.9
131.08537	1.0
137.05844	0.9
159.11653	1.0
185.04172	6.7
199.39040	1.0
201.03751	1.1
203.05174	1.5
243.13513	13.9
250.55544	0.9
261.14581	100.0
262.14954	3.6
294.40021	0.9
358.72180	1.0
423.19449	48.8
423.23514	65.7
424.19232	2.0
424.24121	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	423.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24905	11.9
54.91063	11.7
57.31309	13.4
67.05489	41.5
70.14390	13.3
70.14725	33.9
81.07038	26.6
91.05469	15.2
93.07009	19.1
95.08595	27.3
107.08566	21.5
122.72082	13.2
131.08577	15.5
135.11639	17.3
245.82167	13.7
264.58096	12.4
310.18134	21.3
423.22791	100.0
424.27310	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34893	13.3
63.55183	12.2
65.65588	12.7
68.41747	13.3
88.62000	12.2
91.05414	13.2
108.58022	12.4
130.31166	13.6
141.59541	13.9
217.51196	12.5
241.26193	14.1
423.21490	100.0
424.26868	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2349
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05503	0.7
56.52344	0.5
67.05489	1.5
69.03419	0.8
69.07065	1.5
69.33553	1.0
69.33956	1.8
70.92876	0.5
72.96481	0.6
79.05485	1.4
81.07057	1.8
84.04533	0.7
85.02883	0.7
91.05443	1.2
93.07041	2.1
95.04965	0.7
95.08627	1.6
95.59089	0.6
98.23457	0.9
105.07022	1.5
107.08588	1.7
109.10135	1.7
119.08609	0.8
121.10050	1.0
139.36568	0.6
145.04929	0.6
174.74945	0.6
201.03679	10.7
203.05235	42.2
204.05554	1.0
224.39331	0.8
226.37077	0.6
243.17120	1.2
244.07701	1.0
245.18800	1.0
248.72539	0.7
261.11313	0.7
261.14630	3.4
336.15295	0.7
360.51862	0.7
423.23560	100.0
424.23322	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	423.2351
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05511	2.2
58.91695	1.1
66.10883	1.2
67.05497	2.9
69.07048	2.2
79.05473	3.2
81.07063	5.7
91.05467	2.4
93.07037	3.7
95.08579	7.4
99.89658	1.1
100.11259	1.4
105.07038	4.4
107.08598	4.8
109.10142	4.0
119.08556	5.3
121.10148	2.9
123.11680	2.1
127.11208	2.5
132.83821	1.2
133.10152	2.7
135.11688	2.3
145.10040	2.9
147.11678	3.7
149.13196	1.5
161.13214	2.0
163.11049	1.3
163.14775	1.7
165.60440	1.1
173.13297	2.1
175.14842	2.0
187.14850	1.5
189.16418	1.7
201.03706	15.6
201.16293	1.4
203.05232	13.3
209.16357	1.3
243.17145	1.2
245.18771	6.1
261.11127	6.5
326.23273	1.2
339.17737	3.5
403.20062	1.2
423.23557	100.0
423.36124	6.9
424.23798	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	423.2352
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
50.74254	0.6
55.48843	0.6
70.91064	0.6
81.07054	1.0
95.08622	1.2
102.58354	0.6
111.31691	0.7
114.67252	0.6
116.11626	0.6
145.39746	0.7
168.33693	0.6
203.05263	1.1
243.13641	1.1
261.14572	5.7
288.29443	0.7
297.13196	1.7
305.67279	0.8
335.18533	1.5
353.15750	1.2
423.23593	100.0
424.23819	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82818	6.2
53.03940	8.5
55.05497	39.9
57.03424	8.5
57.07058	8.6
67.05492	100.0
69.03420	28.1
69.07054	32.5
69.82386	7.3
69.82713	13.1
71.04986	8.1
79.05474	71.0
81.03400	21.6
81.07039	82.1
83.04967	11.4
83.08599	21.1
85.02889	14.2
85.06561	6.2
91.05463	54.0
93.07015	75.2
95.04941	18.4
95.08593	75.7
96.37018	6.1
97.02870	15.1
97.06512	12.2
97.10164	7.4
98.23359	7.0
105.07005	45.2
106.07417	5.4
107.04963	5.3
107.08578	50.1
109.06506	8.3
109.10136	47.7
111.04430	7.8
111.07984	5.8
117.07022	17.7
119.08549	55.8
121.06481	10.9
121.10101	40.6
122.02992	6.2
123.08071	9.6
123.11666	10.2
129.07010	11.6
131.08534	37.1
133.06415	9.1
133.10100	27.8
135.08063	9.7
135.11678	29.2
141.06947	6.7
143.08549	13.1
145.10110	26.1
147.11668	20.5
149.02245	7.5
149.13240	26.5
155.08511	13.3
157.10110	14.8
159.11673	19.2
161.13223	12.6
163.11066	5.6
169.10097	9.0
171.11609	10.3
173.11856	7.0
173.13239	19.2
173.38596	5.8
175.14778	7.8
177.12715	8.2
182.05464	5.4
193.04915	8.1
213.12752	6.4
243.21077	6.3
259.20438	12.2
261.22162	22.4
351.23441	7.9
369.24179	22.1
387.25269	23.3
405.26111	18.0
406.26089	7.1
423.27032	42.0
424.26926	39.2
424.31839	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.0
55.01875	8.8
55.05254	2.8
55.05503	31.1
57.03439	11.4
57.07061	4.0
59.55395	1.8
61.02915	2.0
65.03922	4.7
67.05494	100.0
69.03419	35.2
69.07060	29.6
69.61066	7.4
71.01344	2.4
71.04984	9.4
73.02910	3.1
73.55069	1.5
79.05482	79.5
81.03407	27.1
81.07044	97.0
82.07339	1.6
83.04973	11.6
83.08601	12.0
85.02885	19.0
85.06557	3.6
87.04453	2.1
87.63332	1.6
91.05467	67.6
93.07030	81.5
95.04954	18.9
95.08591	66.9
95.09206	3.4
97.02876	10.4
97.06512	6.9
97.10174	4.1
99.04430	7.0
99.08058	2.9
103.03916	5.1
105.04519	3.7
105.07011	54.3
107.04942	8.1
107.08575	50.4
109.02829	2.7
109.06490	8.7
109.10137	29.2
111.04430	10.3
111.08052	5.3
113.09642	2.0
115.03928	1.9
115.05434	3.0
117.07008	27.6
118.67634	1.6
119.04875	1.8
119.08559	44.0
121.06470	8.4
121.10123	42.3
123.04411	3.5
123.08042	8.0
123.11675	10.5
125.09603	4.6
127.03870	4.7
128.06200	5.6
129.05460	5.7
129.06976	12.4
130.07765	1.6
131.08548	38.6
133.06482	5.5
133.10106	37.8
135.08023	7.0
135.11679	34.2
137.05984	2.7
137.09592	4.0
137.13234	3.7
139.11147	2.3
141.06920	2.4
142.07774	2.8
143.08531	11.4
144.09251	2.1
145.04903	1.7
145.06462	4.0
145.10095	26.5
147.08011	6.1
147.11658	28.9
149.09616	5.0
149.13223	18.2
151.07498	2.1
151.11156	4.2
153.06993	2.1
153.09111	2.0
155.08537	5.8
157.10107	11.9
159.08015	5.8
159.11676	24.5
161.09578	3.4
161.13223	19.5
163.07513	1.9
163.11128	3.9
163.14769	8.1
165.12660	2.7
167.08453	2.4
169.10104	7.8
171.08028	2.9
171.11676	9.4
173.09618	3.6
173.13245	16.9
175.11140	4.1
175.14780	7.1
177.12735	3.3
179.14229	3.9
181.10071	4.5
183.07982	2.1
183.11639	2.6
185.09540	3.5
185.13248	9.2
186.28494	1.8
187.11188	2.7
187.14822	8.7
189.12740	3.7
189.16389	2.2
191.14293	2.0
193.10309	2.2
193.12247	2.1
195.11644	3.7
197.09494	2.2
197.13173	5.1
199.11224	2.7
199.14751	4.7
201.16415	3.2
203.14261	3.4
209.13197	4.0
211.14832	2.3
213.12729	2.8
213.16420	3.7
215.18024	1.9
217.10268	2.0
217.15677	2.2
225.12714	2.3
227.14320	2.5
231.20972	2.6
241.19461	6.5
243.21063	7.0
249.14786	4.6
255.21013	2.4
259.20584	12.8
261.22095	28.6
271.20416	3.8
273.22122	5.0
275.23700	4.7
277.14316	2.7
277.21555	6.5
285.22079	3.4
289.21603	6.0
291.23163	5.0
297.22015	3.1
301.21548	3.1
303.23154	14.9
313.21487	2.4
315.23132	6.1
317.24774	1.8
319.22812	1.9
331.22641	2.4
341.24689	4.8
345.24136	3.5
351.23178	6.6
359.25500	2.7
369.24191	15.7
387.25299	14.2
405.26358	21.7
422.36099	2.9
423.27216	12.3
423.36163	9.9
424.26907	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
54.61652	3.2
55.01866	13.0
55.05503	32.1
57.00898	3.5
57.03429	8.6
57.07064	7.6
57.24587	2.9
59.04984	3.0
64.17611	3.1
65.03928	6.5
67.05498	95.4
69.03420	33.5
69.07071	29.5
69.95860	12.0
71.01323	3.6
71.04991	6.3
72.31841	3.8
73.02914	5.1
74.80828	3.0
77.37279	3.4
79.05488	74.0
81.03403	40.2
81.07052	100.0
83.04984	8.4
83.08620	17.9
85.02885	23.2
85.06525	8.1
87.04483	3.6
91.04928	6.7
91.05467	64.0
93.07038	75.7
95.04967	22.7
95.08598	80.8
97.02888	19.3
97.06506	12.3
97.10164	4.3
99.04446	8.6
99.08058	4.7
103.03965	4.8
105.04517	5.2
105.07019	59.9
107.04922	5.1
107.08579	57.8
109.02882	7.3
109.06496	17.1
109.10135	41.3
111.04444	13.3
114.49674	3.9
117.07021	25.3
119.08575	43.3
121.06504	8.5
121.10119	38.1
123.04433	6.8
123.08043	14.9
123.11683	17.5
125.05994	4.3
127.03835	3.6
129.05457	5.8
129.07010	13.2
131.08559	39.1
133.06488	8.2
133.08597	4.1
133.10129	38.5
135.08041	7.6
135.11679	28.3
137.09630	7.9
137.13309	4.0
143.08575	10.2
145.04919	4.0
145.10095	33.6
147.08070	7.4
147.11667	24.4
149.09590	5.0
149.13206	20.7
149.72005	3.6
151.07515	6.0
155.08560	3.7
157.10124	10.2
159.07991	5.2
159.11694	19.9
161.09616	4.9
161.13206	22.5
163.11157	6.2
163.14815	8.3
169.10126	6.6
171.11688	11.2
173.09644	4.6
173.13210	17.0
175.11102	4.1
175.14742	6.6
177.12718	7.1
179.14311	15.0
181.10063	5.4
183.11661	6.3
185.13239	10.6
187.14856	12.8
199.14888	6.7
241.19499	7.5
243.21103	6.6
259.20563	16.2
261.22073	32.2
271.06177	3.7
273.22101	8.1
275.23746	4.8
277.21524	8.9
291.23203	5.7
303.23254	22.1
327.23285	4.9
331.26276	7.0
351.23199	4.4
354.24533	3.9
369.24173	18.5
387.25189	24.4
388.49042	4.1
405.26303	29.3
423.26712	35.6
423.31827	7.4
424.26929	6.2
424.37225	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.4
55.05495	26.9
57.03430	13.0
57.07069	12.3
59.71567	6.7
65.95921	5.8
67.05495	86.6
69.03421	29.6
69.07057	30.0
70.00105	16.4
70.06583	8.3
71.04982	10.3
79.05494	64.0
81.03407	39.5
81.07045	100.0
83.04976	21.3
83.08618	12.3
85.02882	16.0
89.34315	6.0
91.05468	63.7
93.03462	7.0
93.07030	76.5
95.04955	29.5
95.08589	65.7
97.02862	12.7
97.06561	7.6
99.04432	7.4
105.06999	60.3
106.67255	6.6
107.04913	9.9
107.08580	48.2
109.06497	11.2
109.10162	34.7
111.04435	10.7
117.06993	30.4
119.08575	42.8
121.06439	8.6
121.10133	46.8
122.47885	6.6
123.08075	12.8
123.11695	12.2
125.09628	7.4
129.05421	8.8
129.07002	17.2
129.69687	6.1
131.08560	28.7
133.10120	36.2
135.08087	10.4
135.11673	26.1
137.09544	8.8
139.76184	6.2
141.06985	7.8
143.08563	13.1
145.10074	33.0
147.08031	10.1
147.11694	35.1
149.02332	18.1
149.13303	8.6
150.02608	9.8
157.10104	11.8
159.11690	22.4
161.13203	15.7
171.11781	9.5
173.11804	6.3
173.13268	12.2
175.14894	9.9
177.12617	6.5
179.14365	6.5
183.11627	8.8
187.14766	9.8
193.04935	19.2
194.05296	11.2
256.26459	9.1
259.20596	14.4
261.22150	23.6
277.21555	8.7
303.23041	18.6
341.24915	7.2
369.24265	12.9
370.13669	7.0
387.25217	14.9
394.95642	7.3
405.26276	18.1
423.29001	43.5
424.27170	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.5
55.01855	1.0
55.05502	6.1
57.03413	1.9
57.07063	5.4
59.68958	0.4
67.05492	8.7
69.07055	7.2
69.27977	1.1
69.28381	1.7
71.04978	1.1
71.08622	5.7
73.06520	0.7
78.16720	0.5
79.05477	5.9
81.07044	14.1
83.04979	1.0
83.08597	1.8
85.06533	2.5
91.05464	4.8
93.07027	9.1
95.04932	1.3
95.08009	1.0
95.08588	12.3
97.02848	1.4
97.06505	2.2
97.10132	1.3
99.08096	3.0
105.06993	5.2
107.08577	6.8
109.06501	21.8
109.10153	4.7
111.08093	1.4
117.06998	0.9
119.08548	5.0
121.06469	0.9
121.10111	4.5
122.07288	2.3
123.08048	37.0
123.11687	1.6
124.08382	1.1
131.08533	2.1
133.10089	4.9
135.08031	9.1
135.11656	2.5
136.08754	0.5
137.09595	2.0
145.10092	2.6
147.11667	3.1
149.09590	1.9
149.13214	1.5
151.14786	0.6
157.10083	0.6
159.11665	1.9
161.13222	1.4
163.11159	0.7
163.14819	0.7
165.12717	1.4
167.14296	1.5
173.13214	1.2
177.12715	2.2
179.14275	91.4
180.14630	3.3
189.16437	0.5
191.14223	1.4
193.15837	3.2
205.15933	3.2
219.17479	0.6
233.19012	1.2
253.14403	0.5
263.20078	0.9
275.20004	2.2
289.25366	1.0
293.21088	1.1
303.26770	2.1
304.27203	0.6
331.26254	37.6
332.26566	2.7
349.27298	10.1
350.27640	0.8
367.24670	1.2
397.42407	0.5
405.29953	1.7
423.30972	100.0
424.26221	0.8
424.31366	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41627	0.7
55.05505	5.8
57.03429	1.8
57.07066	2.0
67.05499	7.7
69.07064	9.6
69.93506	1.6
71.05000	1.9
71.08640	0.9
79.05477	4.6
81.07046	10.1
83.04981	0.9
83.08600	3.7
89.06014	1.9
91.05470	3.9
93.07045	7.3
95.04976	1.7
95.08604	12.4
97.06535	2.2
97.07218	0.8
98.22766	0.8
105.07025	5.0
107.08579	7.3
109.06514	7.3
109.10146	5.5
111.08097	1.5
113.29355	0.7
119.08548	6.3
121.10146	4.9
123.08053	31.4
123.11716	2.7
124.08363	1.0
131.08577	2.5
133.08585	1.1
133.10123	4.1
135.08025	5.2
135.11685	3.6
137.09633	2.1
137.13260	1.1
143.08527	0.8
145.10120	3.6
147.11636	4.4
149.09631	1.9
149.13277	2.3
152.75102	0.8
157.10143	1.5
159.11687	3.5
161.13278	2.4
163.14757	0.9
165.12784	0.8
173.13263	1.8
175.14796	1.9
177.12814	1.6
177.16281	0.8
179.14299	17.6
180.14748	0.7
183.11859	0.7
187.14838	1.5
193.15845	0.7
199.14810	1.1
205.15811	0.7
215.17957	0.7
233.19107	0.9
241.19467	0.7
263.20108	0.9
271.06137	1.9
275.20032	2.6
285.22467	1.0
293.21112	2.4
303.26816	3.0
323.03345	0.7
331.26273	23.7
332.26663	1.8
349.27371	6.3
367.24734	1.0
405.29953	1.3
405.35123	0.8
423.30960	100.0
423.35727	4.3
424.26654	1.0
424.31393	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	423.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.8
57.03422	3.0
57.07066	4.5
58.06579	1.5
67.05496	19.9
69.03414	2.1
69.07053	9.8
71.04974	2.0
71.08604	2.5
71.71364	1.4
75.12152	1.6
79.05492	12.2
81.03387	1.9
81.07043	19.2
83.08617	5.3
85.06525	2.0
85.98021	1.6
91.05462	7.4
93.07015	12.7
95.04967	2.4
95.08595	14.6
97.02882	4.3
97.06532	2.5
97.10134	1.7
99.04456	2.8
99.08073	2.5
101.80785	1.4
105.07026	8.8
107.08569	10.4
108.27419	1.4
109.06503	14.3
109.10125	10.1
111.08047	2.4
117.07050	3.0
119.08549	9.5
121.10124	9.4
123.08044	45.6
123.08891	3.1
123.11722	2.4
131.08565	3.5
133.10107	5.4
135.08049	11.6
135.11711	3.2
137.09634	3.3
145.10101	4.7
147.11681	4.8
149.09587	3.8
149.13219	3.4
159.11734	3.8
161.13177	1.5
177.12714	3.9
179.14265	49.4
180.14732	1.9
275.20081	4.4
303.26682	3.6
331.26245	39.7
332.26617	2.5
349.27426	2.4
367.24878	3.1
423.31018	100.0
424.26779	6.1
424.31985	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	424.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03428	2.5
61.02917	2.2
63.16346	0.3
65.31780	0.3
68.99772	0.8
69.03418	3.2
70.06579	0.6
70.99183	0.7
70.99566	9.3
71.01363	0.4
71.04965	0.3
71.06898	0.4
71.45229	0.5
73.02908	14.1
73.80544	0.3
81.03393	0.8
82.81214	0.4
84.08128	1.2
85.02894	8.0
86.06060	0.4
87.04453	0.7
87.23396	0.3
90.05550	0.5
91.03916	0.5
97.02873	4.2
99.04444	0.6
109.02865	1.0
112.02173	65.3
113.02500	1.1
115.03918	2.8
123.04427	0.7
127.03886	1.9
129.10229	0.6
130.03206	100.0
131.03535	1.7
131.04878	0.4
133.04913	2.4
136.07469	0.4
139.03882	3.0
145.04924	2.1
146.05972	5.7
147.04358	1.0
147.05696	0.5
151.03867	0.5
161.05948	0.5
163.03880	0.5
165.96486	0.4
174.05496	1.4
175.04105	0.5
177.05426	0.3
184.81355	0.3
185.05943	0.4
188.07040	2.8
191.03375	0.4
193.04887	0.4
199.03908	0.5
201.05473	0.4
203.03331	0.4
213.05371	0.4
216.06567	0.6
218.02348	0.3
243.06445	0.6
245.04463	1.4
245.09178	2.0
257.04379	0.6
258.05023	0.7
259.05978	1.0
262.07416	0.6
263.10330	3.2
265.11267	0.4
269.04379	0.5
271.05963	1.2
287.05521	0.5
287.10101	0.4
292.08429	8.9
293.08621	0.5
299.05472	1.9
305.11249	1.0
341.63806	0.3
365.06326	0.4
379.07956	0.6
389.06256	0.5
407.07608	2.6
424.12451	1.2
424.26859	2.6
425.08591	2.7
425.13602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
54.50267	0.2
55.03926	0.2
55.12501	0.3
56.17681	0.2
56.24884	0.2
62.44668	0.3
69.03417	1.4
71.04983	15.4
71.16779	0.3
72.08144	0.4
81.03400	4.3
85.02902	2.3
86.09712	0.6
95.04981	0.4
95.08628	0.3
97.02871	3.4
99.04439	100.0
100.04764	1.8
107.08637	0.4
108.04449	0.4
109.02868	2.7
115.03918	1.1
117.05474	11.0
127.03886	2.4
132.65860	0.2
133.02820	0.6
136.07535	0.8
145.04965	1.8
147.04454	0.2
148.61427	0.3
164.07033	0.3
165.23544	0.3
171.06519	1.2
172.77899	0.3
179.03380	1.9
184.83649	0.3
185.05988	0.6
243.08607	4.2
244.09294	0.4
245.08031	0.5
250.10786	0.5
254.05954	0.3
261.09644	2.3
262.10632	0.6
265.12238	0.3
275.38177	0.3
371.13297	0.5
395.31174	0.3
424.15665	0.5
424.26797	1.1
425.17691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75620	5.4
55.05515	17.2
60.22017	7.4
65.03934	5.5
67.05496	14.6
69.03416	7.5
69.74979	12.9
70.06557	6.0
70.70271	5.8
79.05465	12.2
81.07036	14.1
83.04967	12.6
83.08595	7.7
85.02893	10.6
85.06494	6.6
86.09707	22.5
91.05477	8.1
93.07044	15.8
95.04958	97.4
95.08634	5.9
97.06538	7.6
107.08592	26.5
108.36292	5.5
109.06525	10.5
109.10130	8.5
115.07576	6.5
119.08575	10.6
120.08096	7.4
121.10118	52.3
133.10153	14.7
137.40120	5.7
147.04352	6.9
151.11194	23.0
153.09094	8.9
163.14784	12.9
167.14305	16.4
191.14322	25.9
209.15334	100.0
215.13928	8.8
227.16287	8.8
253.05734	6.7
259.51031	6.2
278.01395	5.6
326.41098	6.5
406.26050	8.7
424.10037	10.5
424.21878	6.1
424.26797	32.5
425.17838	18.4
425.27011	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75620	5.4
55.05515	17.2
60.22017	7.4
65.03934	5.5
67.05496	14.6
69.03416	7.5
69.74979	12.9
70.06557	6.0
70.70271	5.8
79.05465	12.2
81.07036	14.1
83.04967	12.6
83.08595	7.7
85.02893	10.6
85.06494	6.6
86.09707	22.5
91.05477	8.1
93.07044	15.8
95.04958	97.4
95.08634	5.9
97.06538	7.6
107.08592	26.5
108.36292	5.5
109.06525	10.5
109.10130	8.5
115.07576	6.5
119.08575	10.6
120.08096	7.4
121.10118	52.3
133.10153	14.7
137.40120	5.7
147.04352	6.9
151.11194	23.0
153.09094	8.9
163.14784	12.9
167.14305	16.4
191.14322	25.9
209.15334	100.0
215.13928	8.8
227.16287	8.8
253.05734	6.7
259.51031	6.2
278.01395	5.6
326.41098	6.5
406.26050	8.7
424.10037	10.5
424.21878	6.1
424.26797	32.5
425.17838	18.4
425.27011	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	24.0
56.82810	5.7
58.90726	5.7
67.05506	17.6
67.77457	6.7
68.25217	6.4
69.07070	11.4
70.06589	7.0
70.78858	9.6
71.04999	6.7
75.13277	5.5
79.05501	5.8
81.07054	7.4
83.04955	12.2
83.08584	10.6
85.02887	8.4
86.09706	16.5
93.07021	19.2
95.04958	81.3
97.06524	7.6
99.04457	6.8
105.07018	9.1
107.08591	35.0
109.06496	7.5
109.10159	10.8
115.07523	7.4
119.08604	7.9
121.10131	66.6
133.10123	10.0
135.11676	7.1
136.07518	11.0
147.04445	6.2
151.11166	17.5
153.09120	7.7
162.60406	5.7
163.14815	16.6
167.14333	26.5
169.34065	5.8
171.56934	6.8
173.13266	6.7
184.36829	6.1
191.14336	17.3
202.61809	5.5
202.92880	6.0
209.15367	100.0
215.13821	8.1
227.16309	7.1
242.50513	7.0
424.26987	13.3
425.17801	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	424.2836
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
54.84277	2.2
55.05502	4.4
57.07063	5.4
58.06586	2.5
67.05499	10.6
68.05023	11.3
69.07072	6.9
70.06581	35.0
70.31977	4.7
71.04967	3.7
79.05492	13.5
80.05005	5.6
81.07049	12.4
82.06585	8.7
83.08606	4.2
84.08107	2.5
91.05454	16.4
93.07033	20.6
95.04941	13.4
95.08597	11.4
96.08121	5.8
98.06032	2.6
100.07610	22.7
105.07012	38.0
106.88501	2.0
107.08561	14.9
108.08133	9.4
109.10178	8.2
109.93279	2.0
114.05538	8.6
115.05432	2.6
116.07031	3.3
117.07033	10.1
119.08549	32.3
119.09280	2.5
120.08102	3.1
121.10155	7.1
122.09684	3.1
126.09132	2.7
128.06233	4.1
128.07060	18.7
129.07030	6.8
130.07780	5.0
131.08521	19.3
133.10107	14.6
134.09650	3.9
135.08054	4.3
135.11667	4.8
141.07031	3.9
142.07693	3.5
142.08698	11.0
143.08546	14.2
145.10097	26.2
147.11690	6.3
148.11246	8.0
154.08603	35.6
155.08571	7.7
156.09334	6.2
157.10046	15.3
157.66183	2.5
158.10907	2.5
159.11742	7.9
161.09589	3.0
162.12796	2.4
164.07103	3.4
168.10260	8.3
169.10175	8.5
171.11749	8.9
172.11143	3.3
173.13235	17.0
174.12744	4.2
178.08678	5.4
181.10080	4.6
183.11755	4.6
185.13220	2.9
186.12880	3.7
187.14929	2.5
192.10213	3.5
194.11777	24.0
197.13206	3.0
199.14810	6.2
201.16466	2.8
206.11911	2.6
209.13130	4.2
216.10336	3.4
218.11798	8.0
220.13278	3.9
221.16217	2.7
232.13275	2.8
237.07614	2.9
284.16367	3.1
286.18057	8.5
314.21149	13.1
332.22150	92.7
333.22598	5.4
406.27188	18.3
424.28275	100.0
425.24442	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	424.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.5
56.65934	3.1
57.07070	70.7
61.83930	2.9
69.07071	7.8
69.29215	14.7
69.29622	6.8
71.08624	48.2
73.06557	3.4
82.46219	3.4
85.10165	34.3
89.06018	100.0
91.05475	5.5
95.08607	2.9
97.10127	6.1
98.22704	7.0
99.11693	6.1
105.07020	3.1
111.11668	3.9
113.13250	4.4
120.25169	3.4
133.08577	64.5
149.02367	3.9
149.09691	3.3
151.09624	5.1
177.11209	13.7
179.14363	3.3
239.14874	43.8
257.24869	3.5
342.20889	4.9
399.47330	3.2
407.33563	43.5
424.26791	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	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00956	0.6
56.96547	2.3
63.04847	0.7
69.03407	1.3
79.42957	0.7
82.99860	1.6
83.29496	1.0
97.02870	2.9
98.97565	3.1
101.00856	11.8
105.00397	0.8
109.02853	1.3
110.97564	1.2
112.89605	1.6
113.00832	1.7
115.02388	0.7
115.03885	5.2
116.98618	1.2
119.01907	25.9
120.01929	0.8
127.02388	2.0
128.98584	0.9
131.01889	8.9
133.03398	1.2
135.03259	0.8
137.02946	2.6
143.01880	28.0
144.02058	1.7
145.03436	10.4
147.01337	1.1
149.02930	1.4
155.01863	12.3
156.02071	1.0
157.03448	5.5
158.99622	1.2
161.02942	51.3
162.02962	1.9
163.04572	1.0
167.01862	6.7
169.03455	3.0
171.05005	2.3
172.97609	0.8
173.02934	21.7
174.02998	0.8
175.04443	2.3
175.06125	0.7
177.00629	1.3
179.01910	3.6
179.04007	0.8
184.04489	1.0
185.02930	34.1
186.03024	1.6
187.04504	3.2
189.00720	1.0
190.98611	1.5
191.03926	4.4
197.02966	12.3
203.03957	16.1
204.04140	1.5
215.04022	6.4
221.03084	0.8
221.05042	3.1
227.03954	7.8
232.99681	0.8
237.02791	1.5
239.04051	2.0
245.05034	100.0
246.05313	6.0
247.01170	0.8
257.05072	5.9
263.06082	24.4
264.06256	1.1
275.00656	0.8
275.06046	12.9
281.01697	2.0
287.06039	1.0
293.07227	3.6
305.01666	2.0
305.07098	8.5
317.07248	0.9
323.02768	1.7
335.08270	2.6
365.09460	3.5
383.10504	0.8
424.26999	1.9
425.06573	8.1
425.11328	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86807	5.9
56.96570	7.5
58.69149	5.8
65.03904	6.0
69.88018	10.8
69.88375	12.3
69.92616	5.6
72.08150	33.5
86.09678	12.8
98.22656	5.9
98.97593	15.4
110.07138	51.0
111.04455	7.7
127.03938	8.5
139.03871	43.1
143.11812	11.9
146.05986	16.5
154.94203	6.7
155.03340	10.5
156.07660	71.5
161.06020	6.6
163.03911	6.3
171.11314	7.9
174.05627	6.5
185.05988	6.5
201.05444	12.5
204.44632	6.3
213.05493	9.3
215.06996	10.3
219.01653	16.4
229.04918	11.4
237.02808	21.2
241.25117	5.5
243.06508	9.4
245.04582	7.7
245.09209	6.4
255.14505	15.7
257.04401	13.3
258.05157	14.2
259.05942	27.3
263.05765	5.8
263.10373	25.1
271.05908	22.2
287.05405	13.8
299.05450	37.2
332.64996	5.9
365.05182	9.6
394.02438	5.5
407.07404	21.5
425.07642	27.7
425.12943	100.0
425.25226	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	425.1567
Annotation	Eprosartan
Peak:m/z	Relative Intensity
65.40809	0.8
69.51537	2.9
70.06242	0.8
70.06586	8.5
84.08098	0.8
84.51235	0.8
86.09681	2.1
86.43819	0.7
93.50667	0.8
95.08577	1.2
105.07021	1.2
115.03899	1.2
116.07101	0.8
120.08076	1.4
157.06459	1.4
169.13373	2.3
197.12804	2.8
201.05525	0.9
211.14497	1.0
227.20096	0.9
263.12549	1.2
310.21152	1.4
420.99307	0.9
425.15588	100.0
426.11353	5.1
426.16385	6.4
440.44025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01861	1.1
57.03433	1.6
57.32928	0.3
58.99580	0.3
60.04496	0.3
61.01144	4.6
61.02923	1.9
68.99786	0.6
69.03424	7.2
70.06593	0.5
71.04991	1.6
71.06106	6.9
71.22730	0.5
71.26396	0.3
72.04507	3.4
73.02892	0.9
76.02222	1.4
77.00623	6.8
78.03770	2.9
81.03403	2.6
84.04496	0.5
85.02893	11.1
86.06055	43.1
87.04478	0.8
87.06380	0.5
91.03949	0.6
96.04482	0.6
97.02878	10.2
98.06023	2.7
98.97561	0.4
99.04445	0.5
101.00610	0.5
102.03745	2.8
103.02145	1.2
108.04469	1.8
109.02862	0.9
111.00791	0.4
112.65809	0.3
113.02369	1.2
113.04181	0.4
114.05516	0.5
115.03918	5.2
115.08674	14.9
118.03224	22.8
120.04790	2.8
123.04392	0.6
126.05482	0.6
127.03912	1.9
130.03172	0.7
130.06914	0.3
131.05243	4.7
131.06371	1.6
132.04741	0.9
135.04376	0.5
136.07547	0.6
138.05513	0.7
145.04939	0.8
146.05986	0.7
147.01059	0.6
147.05847	43.6
148.06149	0.8
148.07852	0.6
149.07417	4.7
150.05515	1.1
156.06531	0.7
162.05473	0.5
163.03801	0.3
168.06525	0.4
174.05812	0.8
175.04214	19.4
176.04503	0.5
179.08052	0.4
180.06645	0.4
189.06955	0.6
192.06859	4.3
194.97250	0.3
219.11607	5.9
223.81812	0.3
223.97755	0.4
245.04440	3.5
245.09326	0.5
246.07896	0.4
246.99197	0.6
256.59601	0.3
257.04254	0.5
263.10562	100.0
264.10883	4.1
273.09052	0.4
299.05423	0.3
299.08826	0.3
305.11606	4.4
341.11609	2.7
343.99597	0.5
353.11453	0.5
365.05396	1.1
366.51172	0.3
371.12811	1.6
389.13641	1.9
407.07376	1.1
407.14203	0.5
425.09549	0.6
425.15994	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	425.159
Annotation	Erythynone
Peak:m/z	Relative Intensity
55.01859	2.0
65.03929	1.4
67.05501	1.0
68.99774	2.0
69.07065	5.1
71.44376	0.9
79.05475	2.4
81.07034	1.2
83.04971	3.7
91.05467	16.9
93.07024	0.8
95.04945	1.6
102.04671	3.6
103.05453	7.4
105.07013	10.7
107.04935	2.6
115.05455	4.1
117.07030	1.5
118.04137	7.5
119.04939	15.7
119.08546	1.3
121.02840	1.2
122.03625	1.4
124.05121	0.9
124.39072	0.9
128.06197	4.7
129.07050	1.2
130.04137	10.6
130.07710	1.1
131.04900	11.7
131.08524	1.8
133.06477	5.1
134.03627	1.3
135.04376	2.9
136.05209	1.2
137.05951	17.2
143.08569	3.8
145.06451	2.3
145.10089	1.3
146.03606	62.3
147.04391	35.1
148.01939	0.9
148.05173	9.4
149.02315	1.2
149.05942	2.9
149.09479	0.9
150.06752	4.5
151.07527	2.7
153.06981	1.4
159.04381	2.3
159.08023	1.4
160.05193	1.9
161.05956	63.6
161.09573	1.6
162.06735	24.0
163.03883	29.4
163.07455	2.6
169.06520	1.4
171.04408	1.2
171.08023	5.3
173.06010	1.2
173.09567	1.4
175.03926	3.4
177.01820	15.4
178.02060	1.0
178.06259	1.4
179.06984	2.2
187.03903	2.3
187.07515	1.9
189.05486	1.4
189.09068	6.4
191.03360	53.1
192.03934	2.6
192.39159	0.9
197.05956	1.4
199.07556	1.7
201.05469	2.0
201.09070	2.0
203.03352	20.7
205.04927	1.0
213.05487	1.0
213.09109	1.5
214.06146	1.0
215.03209	1.7
215.06987	6.3
216.04228	2.0
217.04904	4.5
217.08542	7.1
226.34586	0.9
227.06902	2.0
229.04839	1.3
229.08620	2.7
230.05768	2.8
230.09335	1.1
231.06480	2.8
245.08067	13.5
246.08534	1.5
247.09628	20.0
255.43106	0.9
257.08026	2.4
291.06509	1.0
307.05981	1.6
319.05933	1.8
339.08508	1.4
351.08551	1.1
357.10031	1.7
369.09604	2.7
395.14789	8.1
407.14828	99.3
408.15195	7.3
425.15872	100.0
426.16284	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	425.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06277	0.6
59.04967	0.9
67.05482	1.1
69.07056	2.5
69.25108	3.0
79.05497	1.2
81.07046	5.8
83.14398	0.6
85.45152	0.5
91.05469	1.0
93.07044	0.9
94.84454	0.6
95.08607	1.7
98.23407	1.3
100.11255	1.2
105.07008	1.1
107.08600	0.9
109.10106	0.8
119.01888	0.7
119.85850	0.5
127.00030	0.9
128.07072	0.6
133.10103	0.7
135.11649	0.6
143.83772	0.5
165.09119	0.7
178.59619	0.6
185.04176	1.2
203.05267	0.9
227.05225	1.6
243.04657	1.2
245.06325	5.4
271.04251	1.6
287.00937	0.7
287.03644	3.3
289.05255	19.4
290.05521	0.9
339.17978	3.0
381.18765	28.1
382.18924	1.4
424.27042	0.6
425.17722	100.0
425.24295	3.5
426.17950	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	425.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05522	1.5
70.85132	2.2
79.05487	1.8
81.07053	5.3
91.05489	1.4
94.34068	1.2
95.08586	2.2
105.07060	1.9
107.08578	2.1
109.10182	1.6
121.10138	1.4
139.76178	1.2
144.33514	1.4
161.02908	1.9
167.03075	2.2
187.00836	1.7
201.03671	2.0
203.05269	2.1
210.83397	1.4
243.04732	14.6
245.06343	9.3
287.03693	100.0
288.03949	3.7
289.05252	89.4
290.05530	4.4
307.49664	1.3
381.18491	7.1
422.98865	1.4
425.17700	72.9
425.24756	47.5
426.18323	4.0
426.24966	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	425.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	2.0
67.05540	1.4
69.07049	1.7
71.18821	1.4
79.05479	1.3
81.07043	5.5
95.08587	3.5
100.11285	1.6
109.10197	1.8
111.25748	1.2
119.01910	2.5
119.08533	1.8
121.10043	1.3
157.03418	1.8
161.02985	1.6
165.09055	1.6
203.05402	3.0
227.05145	2.0
241.74275	1.3
243.04785	13.3
245.06310	11.0
271.04251	2.2
287.03693	100.0
288.04156	1.6
289.05255	84.2
290.05661	2.1
345.91074	1.4
358.53308	1.3
381.18689	5.2
425.17749	77.8
425.24844	39.2
426.18207	3.5
426.24854	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1781
Annotation	Tyr Trp Gly
Peak:m/z	Relative Intensity
50.38561	0.4
53.03946	0.6
55.01865	0.7
55.05495	0.7
57.03429	0.5
61.11761	0.4
67.05489	1.3
69.03412	0.5
69.07059	0.7
70.06570	2.5
70.30075	0.4
71.04973	0.5
72.08142	0.7
79.05492	1.2
81.03419	0.5
81.07041	0.9
86.09698	1.2
91.05473	0.9
93.07051	1.1
95.08605	0.8
97.02869	1.2
98.23505	1.1
105.07011	1.1
109.06539	0.6
109.10195	0.9
115.03928	1.6
118.44754	0.4
118.47261	0.5
120.08057	0.6
121.02855	0.5
127.03905	0.7
131.04935	0.5
133.05106	0.5
138.09138	0.5
140.86938	0.5
145.10094	0.5
165.12828	0.5
169.13359	0.6
173.13351	0.5
197.12866	0.7
203.06804	0.9
209.19299	0.4
229.14424	0.7
241.19389	0.5
245.09897	0.5
263.12482	3.0
309.55197	0.5
310.21243	0.6
381.15036	0.9
425.17810	100.0
426.12323	1.1
426.17960	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	425.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46341	4.3
61.29127	5.0
63.25079	4.2
67.05492	5.5
69.59821	6.4
69.60167	14.0
70.06563	4.5
83.04974	5.8
91.05470	15.2
102.04675	4.8
103.05458	8.8
105.07011	6.7
109.10160	4.3
109.72855	4.4
118.04144	6.5
119.04925	19.0
121.06444	4.7
121.10046	6.7
130.04106	12.6
131.04932	11.5
137.05989	19.5
146.03604	45.4
147.04401	33.3
148.05014	6.3
149.02341	11.9
150.02687	7.0
150.06725	6.3
151.02805	7.2
155.08743	5.2
161.05959	69.0
162.06699	17.7
163.03833	22.3
177.01772	13.2
191.03387	46.7
193.04900	9.4
194.05295	10.9
195.05443	13.8
196.05745	5.0
203.03374	18.7
205.04967	11.8
217.05087	3.9
217.08496	10.1
245.08067	17.8
247.09615	12.9
257.08160	5.6
257.26642	9.1
258.27045	6.2
285.11264	5.1
395.14697	9.4
407.14822	100.0
408.15182	13.4
425.10886	7.1
425.15778	85.4
425.22812	27.8
425.29483	33.2
426.16156	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	425.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35901	1.3
67.05519	2.0
70.57233	1.6
70.57541	1.6
73.14076	1.4
74.37083	1.3
78.43250	1.7
81.07018	3.2
95.08598	2.5
105.07029	3.5
106.35813	1.5
109.10156	1.4
117.55064	1.4
119.08540	1.9
126.02885	6.4
139.03639	6.3
139.65262	1.6
163.01131	1.6
207.09929	4.4
224.13745	3.0
251.12538	4.8
257.85199	1.5
309.16681	5.4
362.36438	1.7
391.24472	100.0
392.24854	5.6
407.23938	47.7
408.24246	4.2
425.27383	4.2
425.34116	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44736	0.5
51.94599	0.5
52.14542	0.4
53.27502	0.5
55.05493	0.6
55.56029	0.4
67.05481	1.1
69.07060	1.0
69.09018	2.6
69.09419	1.3
72.08158	0.6
74.26994	0.5
79.05473	0.9
81.07046	1.8
82.27762	0.5
82.34144	0.5
83.08610	0.8
91.05453	1.3
93.07021	1.8
95.08606	1.9
97.06512	1.0
105.07026	1.6
107.08578	1.8
109.10136	1.8
115.03909	0.7
117.06976	0.8
119.06735	0.5
119.08573	1.5
120.08140	1.2
131.08522	0.6
133.10117	1.2
135.11612	0.6
143.08546	0.8
163.14752	0.6
165.09103	1.4
173.13385	0.6
185.71101	0.6
192.62012	0.5
193.05035	0.7
263.12482	12.7
264.12906	0.6
272.13409	0.5
274.93991	0.5
275.44989	0.5
425.18161	5.0
425.25061	100.0
426.25394	6.7
442.14142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30090	0.5
55.01868	0.5
55.05499	0.7
57.01472	0.5
67.05491	1.4
70.06554	0.8
70.14814	1.1
79.05481	0.9
81.03397	0.8
81.07051	1.8
91.05431	1.1
93.07018	1.3
95.08600	2.4
97.06525	0.8
105.07021	1.5
107.08570	1.1
109.10127	1.3
115.03947	0.8
119.08564	1.3
121.10116	1.2
123.11676	0.6
123.44068	0.5
131.08583	0.9
133.10124	1.2
135.11737	0.7
137.09622	0.6
143.50694	0.5
145.10066	1.0
147.11667	1.3
157.10069	0.8
159.11707	0.9
165.09061	1.1
171.11751	0.5
175.14732	0.6
201.16290	0.5
227.51515	0.5
235.71419	0.6
261.11118	0.5
293.17520	0.6
423.05399	0.5
425.25055	100.0
426.19849	1.0
426.25409	7.6
449.96555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70666	4.0
69.58788	16.8
80.94849	14.6
86.09675	5.8
95.15315	4.2
96.01893	5.5
97.02650	10.6
98.23454	9.0
113.02137	6.9
133.10046	4.3
145.17836	5.1
147.11612	6.6
156.03908	27.3
161.86757	4.5
169.04671	19.2
191.10490	5.4
205.04967	17.3
225.63936	4.3
226.12184	5.6
240.13318	12.3
269.13525	14.6
283.16632	6.9
307.29248	4.7
313.16397	7.4
337.16141	100.0
340.23532	10.1
354.18307	5.2
425.25031	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01852	9.7
55.05502	33.4
57.03430	8.5
57.07053	12.5
62.96025	2.3
65.03934	4.1
67.05495	85.6
69.03417	40.9
69.07063	33.2
69.49111	4.0
69.49520	10.4
71.01337	5.6
71.04990	6.4
71.08607	8.4
73.02867	3.5
79.05486	39.7
81.03403	44.8
81.07043	100.0
83.04961	11.8
83.08616	18.3
85.02892	19.2
85.06532	3.4
85.10208	3.3
87.04454	5.0
89.06012	22.6
90.06377	2.8
91.05469	39.2
93.07024	48.9
95.04967	14.6
95.08591	72.8
97.02885	17.7
97.06521	8.7
97.10168	11.1
99.04458	7.2
99.08094	7.3
103.03883	3.8
105.07018	36.9
107.04957	7.4
107.08582	41.4
109.02868	8.5
109.06491	6.5
109.10131	26.2
111.04427	8.8
111.08054	5.4
117.07006	13.7
119.08560	28.0
121.06510	9.4
121.10133	22.9
123.04404	6.8
123.08073	7.0
123.11678	12.3
125.09605	4.5
127.03906	9.6
127.11145	2.6
129.05469	4.1
129.06966	8.8
131.08556	20.4
133.06451	5.5
133.08597	7.7
133.10123	17.8
134.08888	3.1
135.08054	5.2
135.11690	15.1
137.13188	5.7
139.11107	5.7
143.08528	9.8
145.06480	4.9
145.10078	13.1
147.11668	12.0
149.09615	2.9
149.13200	14.6
151.11162	4.3
153.12704	3.3
157.10068	5.8
159.07961	4.7
159.11655	14.1
161.13257	15.8
163.14807	7.9
165.09029	3.0
165.12607	2.9
169.10094	4.1
171.11633	5.0
173.13242	9.5
175.14804	11.2
177.11218	3.4
177.16360	5.5
181.10181	3.3
185.13248	3.8
187.11261	3.1
187.14824	4.9
189.16338	5.2
191.17757	2.7
193.12181	3.0
195.13901	3.0
201.13004	3.4
201.16391	4.9
203.17940	3.2
205.12157	3.2
205.15921	4.6
213.16339	4.6
223.13313	2.8
239.14803	12.0
240.15215	9.3
243.21049	4.7
245.22620	7.4
261.22122	12.0
263.23636	12.3
275.23517	4.4
279.23181	5.1
291.23218	4.5
293.24713	5.5
303.23050	4.5
305.24780	10.4
325.25146	3.1
329.24652	5.9
343.26270	8.2
353.24548	5.4
361.27542	4.6
371.25790	23.7
389.26871	22.8
395.07111	3.1
407.28021	13.9
407.32504	3.1
408.27960	3.2
425.12109	4.6
425.27927	17.4
425.33487	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	425.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	26.1
57.07071	9.9
67.05494	49.9
68.93819	5.3
69.07067	37.8
69.40391	29.0
71.04974	6.5
79.05479	15.1
81.07040	59.8
83.01282	5.2
83.08612	13.0
87.39410	5.8
88.27992	5.7
91.05467	13.8
93.07017	37.8
95.08590	67.5
97.10172	10.2
98.23470	10.2
104.08968	5.6
105.07014	37.2
107.08588	54.4
109.10149	100.0
119.08572	41.8
121.10141	38.6
121.52429	5.4
123.11702	23.5
127.11182	18.1
131.08566	17.4
133.10100	29.7
135.11684	32.6
137.13211	10.5
145.10097	17.7
146.55417	6.7
147.11649	34.5
149.13251	22.5
159.11708	21.6
160.12451	5.2
161.13293	24.8
163.14839	14.6
173.13255	13.7
175.14795	15.1
176.88454	5.5
185.13158	8.2
187.14803	11.0
189.16341	9.7
191.18007	5.9
197.08864	5.6
201.16397	11.9
203.17975	15.3
215.18011	11.0
217.19504	9.4
229.19508	13.0
231.21053	10.4
257.22546	5.9
329.28448	6.2
339.30722	6.4
374.11856	5.7
380.28210	6.1
425.11810	9.1
425.21158	13.5
425.28516	40.3
425.37994	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	426.1181
Annotation	Cepharanone A N-beta-D-glucoside
Peak:m/z	Relative Intensity
68.99780	1.2
70.06577	1.4
71.03532	1.0
71.94331	0.7
76.44776	0.7
79.05490	3.1
81.03416	1.2
82.01686	0.7
91.05481	3.3
93.07034	1.6
94.95580	0.8
95.04966	2.7
97.02886	1.3
103.05459	11.4
104.04961	3.2
105.04543	0.9
105.07014	2.9
106.06570	1.0
107.04955	2.0
109.02882	1.2
115.03959	2.0
115.05447	8.8
117.38629	0.8
118.06541	2.2
119.04962	1.4
120.08108	1.5
121.06532	3.3
122.06032	7.6
123.04435	1.8
129.06975	0.9
130.18413	0.8
131.04901	5.5
132.04430	8.5
133.06506	1.1
134.06009	3.1
135.04405	2.2
143.04913	11.2
146.05991	7.5
147.04384	6.0
148.07544	5.9
150.05508	4.8
150.07687	1.9
151.06253	2.0
152.07076	2.5
157.06480	2.2
159.04390	1.0
161.05977	15.0
163.03912	5.7
164.07016	1.1
165.07036	1.1
166.08643	7.2
171.04381	10.0
173.05951	1.9
175.03889	5.6
183.04445	1.5
185.05994	3.1
187.03880	2.2
189.05450	20.0
189.07094	1.7
191.08420	1.3
197.06010	0.8
199.03931	2.7
201.05487	2.7
202.07822	2.8
203.08542	2.8
213.05440	5.1
215.03346	5.8
215.08585	5.0
216.09076	0.9
217.04929	21.7
217.06834	1.5
217.10094	2.3
219.08054	1.0
223.07487	0.9
226.07797	3.2
227.08566	4.7
229.04892	3.4
231.06174	1.6
231.08345	4.7
233.09766	1.6
234.06880	1.0
235.07625	1.7
242.07185	1.2
243.02885	5.4
243.08069	3.5
244.08794	1.2
245.09573	4.4
247.07492	5.4
247.11575	0.8
248.08290	1.1
249.09154	1.9
251.07083	0.8
255.07977	8.0
256.08582	0.9
257.09641	0.8
258.06744	1.5
259.05820	2.4
260.08319	1.8
261.03940	2.5
261.09015	4.4
263.07016	2.1
271.07526	6.7
272.08215	1.6
272.20273	0.9
273.09076	8.0
274.09290	1.2
275.06976	3.1
276.07834	1.3
277.08496	2.5
283.07520	2.7
287.06998	4.6
289.08527	4.6
299.06955	6.7
300.07718	2.8
301.08560	9.7
302.08209	1.2
303.06549	3.5
305.07855	1.7
317.08063	9.4
319.09689	3.4
321.07526	1.4
327.06415	2.6
329.08176	1.5
331.05988	1.9
344.09189	1.5
345.07462	5.7
347.09125	1.4
362.10257	1.7
363.08609	3.2
373.07114	0.9
382.13007	1.2
390.09515	1.3
391.07922	1.8
408.10764	11.8
426.11798	100.0
427.11777	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	426.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45081	0.9
53.03926	1.2
55.01862	1.2
57.80116	1.0
67.05487	1.8
67.13272	1.0
68.99775	1.4
69.57865	2.7
75.49380	1.0
79.05484	2.8
81.03404	1.1
86.09695	1.3
91.05464	6.6
95.04943	3.9
97.02884	3.2
97.63580	1.1
103.05450	8.1
104.04965	5.2
105.07015	4.1
106.06541	1.7
107.04930	2.1
115.05442	5.3
116.51814	1.0
117.03376	1.1
117.06995	4.9
118.06567	1.2
119.04917	1.6
119.08559	2.5
120.08078	2.6
121.06509	2.2
122.06017	14.9
123.04383	1.7
128.06192	6.6
129.07001	13.2
130.06523	2.0
131.04874	5.1
131.08566	6.5
131.19608	1.0
132.04440	12.5
133.02834	4.2
133.06529	5.0
135.04350	1.4
136.07610	1.9
141.06979	6.1
142.07768	3.2
142.30084	1.2
143.04916	1.7
143.08586	1.2
144.05696	2.3
144.08064	1.6
145.02869	1.9
145.06448	11.7
147.04401	1.8
147.08006	2.5
148.07541	3.7
149.05957	2.0
150.05481	5.9
155.04910	2.1
155.06068	1.5
155.92241	1.0
156.08090	3.3
156.69336	1.0
157.06480	13.5
158.06004	1.2
158.07256	3.3
159.04391	1.6
159.08047	7.3
160.07477	1.5
161.05971	3.5
163.03847	5.7
166.08640	2.5
169.06488	1.6
171.04417	2.0
172.07518	4.8
173.05931	4.7
174.06602	1.6
174.09091	1.3
175.07553	3.1
179.03345	9.5
179.05803	2.4
180.06543	4.5
183.04411	1.5
184.07561	4.2
185.05974	10.4
186.09134	1.2
187.03996	1.7
187.07513	3.4
191.03374	28.9
195.04524	1.0
199.03822	1.5
200.07054	4.5
201.05487	4.8
201.07599	1.1
202.06181	1.8
202.08534	4.8
203.06984	8.4
203.08633	1.9
205.04955	7.5
205.08563	1.3
207.02884	2.9
211.41617	1.0
213.05431	4.4
215.08640	2.3
217.04912	3.4
218.08083	2.0
219.08151	1.1
225.03923	1.3
229.04976	2.8
229.07190	1.5
230.05714	3.2
230.07916	1.9
231.06229	6.1
231.08476	1.9
233.04407	2.0
241.04916	1.6
245.09650	2.0
246.07492	2.4
247.08235	2.2
248.09039	4.6
249.03923	3.8
249.09154	1.2
259.05701	4.8
261.03897	1.8
261.09030	1.7
271.07562	1.2
273.09021	2.4
275.07251	1.4
281.08163	1.4
293.07935	2.9
299.06906	1.2
301.08371	2.5
303.06363	1.2
305.07956	5.3
307.09677	1.6
317.07999	6.7
319.09598	3.5
321.07501	3.8
323.09030	2.8
335.09012	4.3
345.07550	5.6
349.07071	2.2
363.08624	4.6
366.09784	1.6
373.06589	1.1
380.11142	2.3
381.09564	2.0
391.08139	2.4
426.11728	100.0
427.12021	9.6
427.17487	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	426.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.4
55.01853	1.3
67.05495	1.5
69.03421	1.6
70.06575	3.0
70.71004	2.0
72.08120	1.2
79.05473	3.0
89.03895	2.2
91.05497	6.3
95.04951	3.9
97.02876	3.0
103.05464	7.4
104.04980	6.7
105.04523	1.5
105.07041	6.5
106.06523	2.0
107.04931	3.2
109.02808	1.1
115.03916	1.3
115.05415	7.0
116.06230	1.9
117.07000	6.3
119.08531	1.8
120.08105	4.0
121.06501	2.9
122.06017	15.3
123.04456	3.3
128.06195	8.0
129.06999	13.5
130.06459	1.4
131.04909	8.6
131.08568	4.6
132.04434	14.3
133.02859	2.8
133.06485	4.1
134.06024	1.3
135.04366	1.5
136.07596	1.8
138.42967	1.1
139.05435	1.6
141.06981	6.2
142.07780	2.3
143.04926	2.4
143.08545	1.3
144.05702	1.8
145.02831	1.2
145.06474	11.1
146.05956	1.5
147.04359	3.6
147.08051	5.4
148.07539	5.5
149.06020	1.9
150.05487	9.6
155.04901	2.6
155.06058	2.3
156.05678	2.2
156.08069	3.8
157.06487	19.5
158.07204	3.4
159.04436	3.3
159.08028	8.9
160.07529	1.8
161.05975	5.2
163.01216	1.1
163.03893	7.0
166.08685	2.2
168.05699	1.9
169.06485	1.9
170.05911	1.3
171.04419	2.2
172.07552	5.2
173.05991	4.2
174.06839	1.7
174.09158	2.6
175.07585	3.8
179.03369	5.3
184.05194	1.5
184.07541	5.3
185.05940	10.5
187.07491	4.7
191.03378	28.2
192.03749	1.2
192.06610	1.7
199.03897	3.0
200.07088	5.2
201.05458	4.5
201.07820	2.0
202.06145	3.3
202.08644	2.6
203.07016	9.8
205.04936	6.1
207.02811	5.5
213.05440	5.4
215.03438	1.7
215.08630	2.3
217.04892	4.2
217.10170	2.4
218.08173	1.4
228.06508	2.2
229.05078	2.5
229.07355	2.0
230.05730	1.4
230.08084	1.3
231.02931	2.2
231.06512	5.3
233.04407	2.1
245.09563	1.4
246.07622	2.5
247.08162	1.7
248.09157	2.0
249.03986	3.7
259.05704	6.3
261.03842	2.1
261.09198	1.6
271.07437	1.7
273.09152	2.5
281.07971	2.6
287.06946	1.3
289.08563	2.8
293.07947	3.3
301.08423	3.4
303.06607	2.4
304.07138	2.0
305.07993	8.6
306.08768	1.9
307.09436	1.8
317.07962	8.3
319.09604	5.9
321.07477	5.3
323.09128	2.3
335.09128	3.7
337.10602	1.6
345.07529	4.0
347.08969	1.9
349.07031	2.3
362.10117	1.5
363.08646	6.4
366.10034	1.4
373.06851	2.2
377.10208	1.2
380.11188	2.2
381.09698	2.1
391.08078	3.9
409.09338	1.3
421.70135	1.3
426.11749	100.0
427.12091	7.8
427.19327	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	426.1179
Annotation	Cepharanone A N-beta-D-glucoside
Peak:m/z	Relative Intensity
52.91518	0.7
53.03919	0.9
55.01848	1.6
67.05502	1.0
67.89774	0.7
68.99763	1.1
77.03912	1.5
79.05464	1.9
87.14069	0.7
89.03889	1.2
91.05460	6.1
93.07017	0.8
95.04941	4.0
97.02854	3.0
103.05460	8.2
104.04981	6.2
104.16921	0.6
105.03387	1.5
105.07010	3.6
106.06579	1.3
107.04932	1.5
108.04478	0.9
115.05424	5.3
117.03407	0.7
117.07017	3.9
119.04950	1.4
119.08543	2.1
120.08066	0.9
121.06493	2.7
122.06010	11.6
123.04426	1.5
123.48473	0.8
128.06207	4.9
129.06985	11.9
131.04906	4.5
131.08546	5.2
132.04428	11.8
133.02838	2.1
133.06483	2.8
134.06012	1.0
135.04356	0.9
138.02930	0.7
138.16176	0.7
139.05402	1.1
141.06966	5.4
142.07742	1.7
143.04932	1.0
143.08556	1.0
144.05664	2.0
144.08080	1.5
145.02855	2.0
145.06459	9.5
146.05980	1.9
147.04356	2.2
147.07986	3.3
148.07588	3.5
149.05919	1.8
150.05481	6.1
151.03937	0.9
154.06468	0.8
155.04883	2.5
155.06026	1.2
156.05618	1.5
156.08075	2.4
157.06464	17.7
158.07236	2.5
159.04399	2.5
159.08029	7.2
160.05154	0.9
160.07555	2.1
161.02361	1.0
161.05963	3.9
163.03896	6.7
166.08633	2.2
167.04919	1.2
168.05658	1.2
171.04385	1.3
172.07582	3.7
173.02376	1.4
173.06021	3.4
174.06767	1.1
174.09137	1.7
175.07504	4.6
179.03343	4.1
182.05974	1.2
183.04384	1.7
184.05168	1.7
184.07608	2.9
185.05936	9.3
187.03841	1.4
187.07544	3.8
191.03358	21.4
191.06976	1.0
191.08533	0.9
200.07100	3.8
201.05458	5.8
201.07744	1.5
202.06126	2.2
202.08536	2.6
203.07013	7.1
203.08693	1.0
205.04904	4.3
205.99637	0.6
207.02872	2.2
213.05420	3.2
215.03384	1.1
215.08534	1.6
217.04936	2.6
217.10162	0.8
218.08099	1.9
219.02826	1.0
219.08096	0.7
225.03874	1.0
226.07721	1.1
227.08598	1.1
228.06575	1.8
229.04991	1.8
229.07245	1.5
230.05692	4.4
230.07635	1.0
231.02670	1.1
231.06178	4.6
231.08475	1.3
231.88881	0.7
233.04437	2.7
233.09627	0.9
243.02853	0.8
243.07994	0.9
245.09460	1.0
246.07545	2.0
247.08223	2.6
248.09143	3.5
249.03874	2.7
259.05734	5.3
261.03812	1.8
261.09006	1.2
271.07690	1.1
273.09070	1.6
275.07144	0.9
281.07843	1.4
283.07593	0.9
287.06940	0.8
289.08542	0.9
293.07993	1.9
295.09500	0.9
299.06870	1.4
301.08527	2.6
303.06570	1.2
304.06982	1.6
305.08060	6.3
307.09549	1.3
317.08121	6.1
319.09650	3.7
321.07446	3.8
322.08032	1.0
323.08987	2.6
331.06042	1.0
335.09119	2.9
345.07611	4.9
347.09009	2.5
349.06799	1.4
362.10001	1.0
363.08575	4.4
365.10318	0.9
366.09631	0.9
373.07007	2.6
380.11420	1.4
381.09702	2.0
382.12933	0.8
390.09845	1.2
391.08011	1.9
408.10757	1.3
409.09164	1.4
426.11737	100.0
427.12161	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	426.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01862	5.2
57.03405	0.6
59.04981	1.8
61.26913	0.5
67.49836	0.4
69.03066	0.6
69.03419	9.4
69.47408	1.7
69.47807	0.9
73.02885	0.6
76.58221	0.4
81.03401	3.8
85.02897	4.5
87.04451	5.4
97.02881	12.1
99.04428	0.8
109.02885	2.6
115.03912	100.0
116.04259	2.1
127.03892	5.2
133.03969	0.6
133.04958	9.7
137.15404	0.5
145.04927	3.3
149.40578	0.5
166.08968	0.5
187.06013	1.8
196.25620	0.5
199.40836	0.5
205.63155	0.5
241.07109	0.6
259.08078	6.9
274.11578	0.5
277.09109	3.0
278.12244	0.5
304.14429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
54.28228	0.5
55.01863	4.6
59.04984	1.2
69.03417	9.1
69.30933	1.1
69.31338	1.6
71.04947	0.4
73.02895	0.7
81.03396	4.0
85.02888	4.7
87.04447	5.4
97.02875	12.1
98.23498	0.6
99.04430	1.1
102.00985	0.7
109.02843	3.7
115.03909	100.0
116.04256	1.4
118.66467	0.5
119.01840	0.6
127.03889	4.9
133.04948	10.6
143.01897	0.6
144.02014	0.7
145.01714	0.6
145.04921	3.5
161.02881	1.1
162.03040	1.3
173.02995	0.7
174.03056	0.8
174.04442	1.5
185.02980	0.8
186.03076	1.4
187.06035	1.3
189.05513	0.5
203.03999	0.9
217.04990	0.8
222.45627	0.4
229.07281	0.5
231.06146	0.8
231.56129	0.5
241.07031	1.1
245.05017	1.9
246.05214	5.2
247.04887	1.9
259.08063	6.7
264.06308	1.5
277.09073	4.3
288.07538	0.7
339.37411	0.5
340.04001	0.5
426.11942	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	426.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.6
56.96561	3.7
59.04992	1.9
60.38983	1.2
63.97866	1.1
69.03416	10.3
69.27969	1.1
73.02895	1.9
81.03395	4.8
85.02904	6.0
86.09695	100.0
87.04462	3.7
87.10018	1.2
95.75105	1.1
97.02876	15.4
98.06123	1.1
98.97565	3.7
99.04472	1.2
103.62411	1.1
109.02861	3.8
110.97585	1.5
115.03916	67.7
116.98621	1.3
127.03913	2.5
132.10190	71.6
132.98950	1.0
133.04948	9.3
145.04970	2.5
147.03244	1.2
159.03967	1.8
169.04955	4.7
173.01225	2.0
174.04503	3.0
187.05984	1.4
193.05061	1.1
207.04984	3.9
216.05365	1.3
220.02249	1.2
221.05014	1.3
229.07089	4.2
231.00323	3.0
231.06001	3.1
231.59117	1.2
246.97893	1.3
247.08090	2.7
259.08136	5.0
277.09131	3.0
288.07629	2.0
327.00620	2.6
344.08630	2.9
426.15741	2.4
437.16608	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01862	11.7
55.05253	2.3
55.05506	32.2
58.67846	1.2
61.02907	1.7
67.05486	8.1
69.03413	10.4
69.07052	8.3
69.13451	3.0
69.13854	5.1
73.02918	3.6
74.57322	1.2
75.99647	1.3
79.05491	8.4
81.03405	2.8
81.07044	10.5
83.04964	3.2
83.08607	18.5
84.04482	1.5
85.02897	12.8
85.06519	1.5
87.00831	7.8
91.05483	4.4
93.07040	4.3
95.04948	3.0
95.08583	4.1
97.02914	6.0
97.06525	16.0
97.10156	51.7
99.04444	3.4
103.05462	3.7
105.01862	12.1
105.07031	4.3
107.04951	1.4
107.08591	5.5
109.10156	3.7
115.03911	4.7
117.06966	1.7
119.08560	2.7
120.08095	5.7
121.10114	2.8
122.05986	3.1
123.11692	2.5
125.09614	100.0
126.09921	1.6
127.03928	1.6
129.06987	3.9
131.04890	2.3
132.04457	2.7
133.10037	3.1
135.04402	2.6
135.11688	2.4
143.09518	3.2
143.10651	62.2
144.11031	1.9
145.02747	1.7
145.04971	2.4
145.06363	1.5
145.10059	1.4
147.04395	3.5
147.08017	1.3
147.11649	2.0
148.04805	1.7
157.06432	2.3
158.48041	1.3
159.08057	1.6
161.05981	1.8
163.03896	11.0
163.11047	1.3
165.12842	1.3
173.02301	3.3
173.06026	1.4
180.08675	2.3
184.61412	1.3
185.05972	1.6
187.07341	1.4
191.03368	4.2
201.05556	1.6
211.07581	1.6
213.05467	1.3
215.07007	6.1
229.08542	3.9
229.10741	2.5
231.06522	1.4
232.07056	6.0
247.09474	2.3
247.11748	19.3
256.43726	1.3
259.09628	22.2
317.07980	1.9
321.24490	1.4
408.10229	1.8
426.11688	20.1
426.16238	1.9
426.21503	3.9
426.43915	1.5
427.13016	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	426.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
53.83811	1.8
55.01876	10.9
55.05500	5.7
55.79312	2.2
56.58390	1.9
57.03426	16.5
59.04986	2.9
61.02920	13.5
67.05482	7.0
69.03419	37.5
70.06580	3.5
71.01331	3.6
71.04975	8.6
73.02905	53.9
77.86922	1.9
79.05481	7.5
81.03408	8.8
81.07043	8.8
83.04983	3.6
85.02892	100.0
85.06553	2.9
87.04465	2.8
91.03957	2.9
91.05462	8.6
93.07021	3.3
95.04934	6.6
97.02876	63.9
97.10157	9.7
99.04433	31.1
103.03941	3.3
103.05458	8.3
104.04957	5.0
105.03343	2.4
105.07010	7.2
107.04904	3.2
109.02879	11.9
109.06503	12.5
109.07175	2.1
109.10152	6.5
115.03922	27.9
115.05434	5.9
117.05477	3.5
117.06978	3.4
119.04828	2.5
119.08538	2.7
120.08063	6.7
121.10058	2.5
122.06021	15.1
123.04438	3.0
127.03896	28.5
127.07535	3.6
128.06200	5.6
129.05511	2.7
129.06982	13.5
131.04901	5.1
131.08546	6.9
132.04416	11.3
133.02791	4.1
133.04958	34.6
133.06470	4.0
135.04388	2.8
141.06940	4.6
141.09081	12.0
143.04895	3.1
143.08527	1.9
143.10611	3.9
144.08076	3.1
145.04930	51.5
145.06439	10.6
146.06067	2.5
147.08035	3.5
150.05432	4.0
150.07570	4.1
156.05710	2.1
156.08035	3.6
157.05302	2.6
157.06487	16.1
158.07121	3.5
159.08047	3.7
161.05933	8.2
163.03897	9.6
163.06003	25.7
169.08578	7.8
170.05956	3.5
172.07562	3.1
173.05954	2.9
173.11734	3.6
175.07501	4.9
179.03276	5.6
183.04395	3.4
184.05171	2.9
185.05942	7.1
187.07559	4.6
187.09619	12.7
188.07028	2.2
189.05437	11.3
191.03375	21.8
200.07031	6.1
201.05498	3.6
202.08275	2.7
203.07007	5.8
205.04898	6.0
207.02831	2.6
217.04953	3.5
223.05966	3.9
229.07193	3.1
229.14369	8.6
230.05777	2.3
231.06461	3.7
241.07001	6.4
247.09845	2.6
248.09018	2.3
259.05701	3.9
259.08023	8.5
277.16537	4.4
295.09885	5.0
301.08649	2.4
305.08051	8.0
313.96213	2.0
317.07916	7.7
319.09515	2.8
321.07516	4.2
322.08002	2.6
345.07312	3.7
363.08774	2.7
373.06833	2.8
380.11014	3.0
391.07938	4.1
426.11633	64.9
426.16266	6.0
426.21057	3.8
427.11816	6.6
427.19928	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	427.1018
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
50.01594	0.5
51.02376	0.5
53.03935	0.7
55.01861	4.4
55.05500	0.6
58.57421	0.4
63.00711	0.4
65.03933	1.8
67.01852	0.5
67.05495	2.1
68.99777	8.8
69.03415	1.3
70.06570	1.0
71.01343	0.7
71.08611	0.4
72.08132	0.6
77.03920	1.8
79.05484	1.5
81.07034	0.7
83.04960	1.0
85.02892	1.9
86.06047	0.9
89.03896	0.6
91.05470	1.4
93.03389	1.1
95.04973	2.6
97.02899	1.0
98.97530	1.0
103.05477	0.7
105.03381	1.7
105.04497	0.4
105.07041	0.5
107.04925	2.8
109.02845	0.7
111.00777	4.3
111.04425	4.2
115.03891	0.6
115.05457	0.7
117.06997	0.6
119.04890	2.6
121.02831	4.1
121.06493	0.6
123.04413	57.6
124.04753	1.5
125.02325	0.6
127.03902	3.1
129.06990	1.4
129.78940	0.4
131.04909	1.6
133.02846	1.9
133.06499	0.8
135.04395	18.1
137.02312	1.7
137.05966	2.6
139.03880	100.0
140.04236	2.3
141.01791	1.1
141.06973	0.8
145.02823	1.2
145.06464	1.4
147.04381	6.3
149.02327	2.5
149.06018	1.1
150.07727	6.2
151.03899	6.7
153.01801	1.5
153.06970	1.5
155.04840	0.8
157.06458	1.2
159.04372	2.1
161.02307	1.0
161.05978	5.2
163.03883	29.2
164.04227	1.0
165.01796	1.0
165.05479	6.0
167.03394	16.8
169.06468	1.2
171.04315	1.1
173.02444	0.5
173.05916	2.8
175.03865	7.6
176.04420	0.5
177.05447	6.2
179.03366	11.3
181.04904	1.2
181.06487	1.8
183.04387	0.7
185.05954	1.7
187.03888	4.3
187.07539	0.7
189.05424	6.2
191.03363	35.4
192.03716	1.3
193.04948	9.4
194.97229	0.6
195.04376	0.5
197.05980	2.3
199.03911	0.7
199.07443	0.8
201.05450	10.8
202.05975	0.8
203.03366	20.9
203.07095	1.6
204.03735	1.0
205.04951	4.8
209.05968	1.2
213.05478	4.4
214.06064	0.5
215.03371	2.6
215.07022	1.1
217.04890	4.2
219.06464	1.0
225.05406	0.9
227.03281	0.5
227.07063	0.9
229.02676	1.0
229.04919	16.3
230.05447	1.2
231.06535	2.0
233.04414	15.1
234.04732	0.6
237.05371	1.2
241.04944	4.3
242.05208	0.5
243.06502	1.3
245.01920	0.7
245.04422	11.7
247.05980	17.2
248.06314	1.1
249.07663	2.0
251.05463	6.2
253.04858	1.2
255.06483	4.4
257.04404	26.3
258.05081	2.9
259.05991	13.1
264.10797	0.6
265.10367	2.0
269.04456	4.7
271.05991	5.5
273.07419	0.7
275.05466	41.2
276.05865	2.0
283.05960	14.4
284.06110	1.2
285.03754	0.6
287.05457	59.4
288.05807	2.1
289.06973	4.3
295.11389	1.6
299.05444	4.3
301.07037	11.8
302.07343	0.8
325.07178	0.6
345.00217	0.6
367.08099	1.0
379.08041	1.1
391.08005	2.3
409.09091	26.7
410.09360	1.8
427.10721	8.3
427.16574	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	427.1206
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
51.32391	0.5
55.01843	0.6
64.34852	0.5
68.99783	0.6
70.06578	1.9
72.08138	0.9
80.38387	0.4
88.97533	0.5
111.04439	0.6
114.83315	0.5
123.04417	4.2
131.04817	0.5
135.04341	1.2
138.87508	0.5
139.03868	6.4
139.21478	0.5
142.47144	0.5
150.07722	7.6
151.03825	0.6
161.05978	0.7
163.03882	3.1
167.03352	0.9
175.03848	0.7
179.03363	0.7
181.05072	0.6
187.03795	0.5
191.03340	2.3
201.05473	0.9
203.03351	1.5
203.05173	0.6
205.29971	0.5
214.19209	0.6
229.05006	1.2
233.04564	0.6
245.04344	0.9
247.05888	1.3
257.04431	2.0
265.06662	0.7
275.05539	2.8
283.06058	0.7
287.05307	3.4
295.11456	1.9
301.06876	0.7
344.99969	0.6
350.19266	0.6
409.09064	1.9
414.77643	0.6
427.11972	100.0
427.18884	3.8
428.12357	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	427.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06738	0.7
56.96545	1.1
61.93742	0.7
69.03418	1.6
69.52546	2.4
70.06567	0.8
82.17722	0.7
96.78500	0.7
96.91441	0.6
97.02888	0.9
98.97580	1.3
116.98617	0.8
123.04414	5.4
127.03957	0.8
135.04361	0.9
139.03889	2.5
163.03864	1.1
177.05402	1.0
179.03360	1.2
191.03432	1.7
193.05261	2.0
203.03374	1.2
205.05353	0.9
210.17740	0.7
211.06360	2.0
212.98071	0.8
223.06349	5.6
241.07294	1.0
245.04372	1.6
247.06239	1.9
257.04370	2.2
265.07269	2.1
265.10431	2.0
265.14014	1.9
266.39548	0.7
275.05402	2.1
283.08521	1.6
287.05557	3.8
343.13681	1.8
367.10727	6.3
371.12787	1.0
409.09039	3.6
427.13416	30.3
427.19254	100.0
428.13831	1.9
428.19623	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	427.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57381	0.5
56.96561	15.9
67.29221	0.5
71.95243	0.8
74.35699	0.6
78.64064	0.5
82.41000	0.5
94.55272	0.6
96.09754	0.6
98.97571	100.0
116.98609	81.3
128.67679	0.6
134.99638	47.9
140.00183	5.4
153.00702	6.2
158.01234	4.2
164.60475	0.6
176.02298	0.7
192.39473	0.6
238.01382	0.8
257.58942	0.6
263.99399	8.8
265.00137	5.4
266.00955	1.9
268.27130	0.6
282.00464	6.0
283.01181	1.9
287.99298	3.4
303.01682	23.4
304.01987	0.9
306.00439	6.3
309.02942	0.7
321.02777	71.2
322.03067	3.9
339.03830	6.2
340.04230	0.7
344.04388	7.7
370.10770	3.7
371.08084	0.8
385.13165	5.1
388.11993	3.0
427.14240	72.3
428.14429	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	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64877	0.2
57.04548	0.6
58.84171	0.2
63.20388	0.2
64.46361	0.2
66.69837	0.2
69.09972	0.6
69.10376	0.8
70.06574	0.2
74.62758	0.2
77.11079	0.2
79.67777	0.2
80.20764	0.2
89.88422	0.2
89.89143	0.2
94.04044	1.3
97.87408	0.2
110.08411	0.2
113.51820	0.2
119.03550	0.3
123.06639	1.1
147.04395	0.2
150.07729	100.0
151.06299	0.2
151.08151	2.2
157.55875	0.3
174.05539	0.2
244.77863	0.2
265.07190	0.4
282.11963	0.7
283.08389	0.3
289.01782	0.3
295.11447	20.6
296.11661	0.8
307.08640	0.2
395.12503	0.3
427.10071	1.3
427.14444	0.7
427.19244	1.8
428.20328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33210	1.3
65.83289	1.2
69.03392	2.2
69.55956	6.5
70.06560	1.6
81.63087	1.3
86.22513	1.3
98.22742	2.7
98.97536	1.8
123.04336	1.8
126.36058	1.3
137.05962	1.5
150.05415	1.2
151.03847	1.4
179.03278	2.0
191.03305	1.6
201.05447	1.5
203.03282	2.3
203.05035	1.4
203.12691	2.0
228.70784	1.3
265.10440	2.7
275.05161	1.7
427.17108	100.0
428.17523	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	427.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46236	0.9
67.05496	2.1
69.03415	2.8
69.07053	1.3
69.51110	4.1
71.04984	2.2
73.80820	1.3
79.05472	2.5
81.03399	1.6
81.07018	2.0
85.02876	3.6
91.05453	1.4
95.04944	1.8
95.08553	1.8
97.02858	2.4
99.04459	6.9
103.05437	1.5
105.07012	1.7
107.04961	1.1
107.08564	2.4
120.08157	1.1
122.05997	1.2
129.06967	1.6
133.10085	1.5
141.06860	1.2
145.10013	1.6
167.06937	1.5
170.24057	1.1
191.03357	1.4
247.13023	1.6
247.16873	1.6
254.05832	1.2
409.17831	1.8
427.12076	6.2
427.17163	100.0
428.17575	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	427.1935
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
55.05489	0.5
56.06328	0.5
56.47980	0.4
66.92182	0.5
69.03415	0.5
70.79118	0.5
70.79441	0.5
72.39684	0.4
79.05459	0.7
85.02892	1.1
86.06063	1.0
97.02876	1.0
107.04976	0.6
109.06474	0.5
115.03933	1.2
136.25089	0.5
149.05453	0.5
152.07068	2.2
203.05267	2.5
247.13060	0.6
265.10410	1.8
265.14120	1.0
275.43436	0.5
397.18198	1.1
409.18240	1.7
427.19354	100.0
428.19714	5.8
436.55362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18686	4.0
55.05497	25.2
63.45808	4.7
64.81544	4.0
66.76028	4.1
69.03400	9.1
69.07104	5.1
70.06573	10.1
73.02916	8.5
81.07060	5.6
85.02895	19.2
88.30371	4.0
93.86971	4.0
97.02881	5.8
97.10168	39.4
107.04948	4.6
108.66016	4.7
109.77246	5.4
115.11205	41.6
121.02876	7.0
122.05983	5.1
127.03912	5.1
133.02844	4.5
133.12245	12.1
136.07553	12.4
150.07733	100.0
150.08864	7.9
152.07059	20.0
153.09746	4.2
163.03920	12.8
164.07068	11.3
164.44443	4.7
174.05424	4.9
184.50087	4.9
194.29791	4.4
203.12871	6.5
254.05666	5.6
258.09131	5.6
265.07071	6.6
286.08810	5.1
295.11362	22.8
314.08072	11.3
364.11880	6.0
365.94650	4.5
385.39539	4.9
395.12326	8.0
427.14514	15.1
427.19363	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	427.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18686	4.0
55.05497	25.2
63.45808	4.7
64.81544	4.0
66.76028	4.1
69.03400	9.1
69.07104	5.1
70.06573	10.1
73.02916	8.5
81.07060	5.6
85.02895	19.2
88.30371	4.0
93.86971	4.0
97.02881	5.8
97.10168	39.4
107.04948	4.6
108.66016	4.7
109.77246	5.4
115.11205	41.6
121.02876	7.0
122.05983	5.1
127.03912	5.1
133.02844	4.5
133.12245	12.1
136.07553	12.4
150.07733	100.0
150.08864	7.9
152.07059	20.0
153.09746	4.2
163.03920	12.8
164.07068	11.3
164.44443	4.7
174.05424	4.9
184.50087	4.9
194.29791	4.4
203.12871	6.5
254.05666	5.6
258.09131	5.6
265.07071	6.6
286.08810	5.1
295.11362	22.8
314.08072	11.3
364.11880	6.0
365.94650	4.5
385.39539	4.9
395.12326	8.0
427.14514	15.1
427.19363	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	427.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72318	0.5
59.53081	0.4
62.54684	0.4
67.05485	0.4
69.07074	0.5
81.07028	0.4
95.08593	0.6
97.08025	0.4
98.23461	1.5
107.54461	0.5
141.09172	0.4
188.89291	0.5
203.12758	1.1
243.05234	0.4
252.81651	0.5
415.55530	0.5
427.26611	100.0
428.26956	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	427.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13167	0.5
55.05493	0.9
61.65589	0.5
67.05490	1.3
69.03435	0.6
69.07075	0.7
69.33694	2.8
70.21926	0.5
71.08615	0.8
79.05483	0.9
81.07040	2.5
83.04989	0.8
84.04499	0.5
85.02830	0.5
91.05463	1.3
93.07009	1.6
95.08607	2.0
97.06524	0.8
105.07012	1.4
107.08578	1.4
109.06483	0.7
109.10162	1.0
119.08586	0.8
121.10152	1.0
123.08101	0.9
123.11737	0.7
129.06984	0.9
131.08530	1.1
133.02847	1.6
133.10130	1.0
135.04460	0.6
137.05963	0.7
140.34473	0.7
147.11682	0.7
149.13284	0.7
161.09587	0.7
165.09088	1.3
203.12553	1.1
295.05319	0.5
427.26654	100.0
428.26953	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	427.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.7
55.36176	0.7
60.55165	0.6
62.71366	0.5
69.07050	1.0
69.44511	2.7
72.98217	0.6
74.31204	0.7
81.07045	1.9
83.71368	0.5
91.05497	0.9
93.07035	1.2
105.07034	0.8
109.10127	1.1
140.04750	0.5
143.14320	0.6
165.09143	0.9
203.12814	1.8
253.97684	0.7
273.92761	0.7
426.71622	0.8
427.26630	100.0
428.26923	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	427.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.3
53.03939	1.8
55.05514	1.2
57.07067	85.4
58.07389	1.4
60.82646	0.6
61.12845	0.7
67.05476	0.7
69.03413	0.9
69.07050	1.2
69.29667	1.6
69.30053	1.2
71.08616	1.8
73.06528	1.2
77.03922	2.5
79.05475	1.2
79.64958	0.6
81.07024	1.7
83.04977	1.2
87.04455	5.4
89.06018	99.2
90.06347	1.6
91.05464	15.4
93.06441	1.3
93.07030	24.9
94.07364	1.3
95.04404	1.2
95.04958	12.5
95.05528	1.4
95.08594	1.6
100.75914	0.7
101.27122	0.6
103.05444	6.9
105.04504	3.4
105.07014	2.2
107.04924	1.0
107.07055	2.7
107.08579	2.2
108.17990	0.6
109.06456	1.1
111.38739	0.7
113.13273	1.2
117.06999	1.6
118.07778	6.4
119.04943	4.5
119.08562	6.9
120.68114	0.6
121.06486	100.0
121.10094	1.8
122.06799	2.2
129.06921	0.7
130.08629	1.6
133.08582	59.6
134.08926	1.1
135.08041	3.2
135.11624	1.3
139.07521	1.4
145.10083	0.9
147.08022	12.9
149.09595	3.5
149.13231	0.7
150.06732	3.8
159.11681	1.9
163.11150	1.9
165.09088	46.9
166.09465	0.9
177.11227	10.2
177.12675	1.5
182.92653	0.9
183.10109	0.7
191.10643	1.8
203.12692	1.5
203.47650	0.6
209.11685	19.2
227.12692	4.3
230.25261	0.8
233.16782	0.9
233.18973	16.2
234.19359	0.8
241.11299	0.8
253.14320	1.3
271.15326	3.4
277.21588	20.8
278.21948	1.0
315.17972	47.8
316.18256	3.1
319.19272	0.9
331.73285	0.7
337.20279	2.1
343.21942	1.8
355.21387	2.1
427.30365	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	427.3202
Annotation	Griffinisterone D
Peak:m/z	Relative Intensity
55.05486	3.0
57.07065	3.6
63.12108	1.5
67.05495	4.4
69.07051	6.3
72.04517	1.9
79.05476	3.3
81.07034	9.5
83.08573	2.9
87.02564	1.7
88.02225	4.5
91.05447	3.3
93.06998	4.4
95.08592	13.8
105.07015	3.5
107.08578	10.0
109.06546	1.9
109.10134	7.6
119.08556	7.0
121.10134	6.6
123.11668	4.3
123.65691	1.9
131.08522	2.0
133.10101	3.9
135.08023	7.7
135.11700	6.3
145.10106	1.8
147.11664	4.8
149.13216	4.8
157.10123	2.3
159.11636	5.1
161.09612	4.5
169.10104	2.3
173.09644	4.3
175.11110	4.7
183.11620	2.4
187.11108	11.4
191.17912	2.8
201.12743	5.7
203.14413	1.7
213.16148	1.9
231.17503	2.2
243.17418	10.3
244.67455	1.9
259.20547	2.5
271.17087	1.9
273.22128	5.7
278.78754	1.9
289.18103	2.5
301.14087	2.5
311.23645	5.9
325.25256	4.4
339.26801	5.7
340.27487	12.4
353.28287	2.7
381.31430	39.9
382.31848	4.1
409.30655	4.0
427.32007	100.0
428.32236	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	427.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	12.3
57.07058	8.7
57.42579	2.5
67.05482	5.8
69.07055	35.1
71.08638	4.6
77.18827	2.8
78.52626	2.7
79.70744	2.5
81.07053	9.1
83.08601	14.9
87.04474	3.0
88.37833	2.6
93.07034	3.0
95.08567	9.5
97.10146	6.7
109.10139	11.3
119.08561	3.4
121.10123	3.0
123.11590	3.1
137.09605	9.8
149.09570	7.8
153.37787	2.6
163.11185	10.6
165.09090	100.0
166.09421	4.0
177.09129	9.7
189.09044	5.4
191.10655	7.1
203.10626	10.1
205.12224	9.3
205.66118	2.8
219.13651	4.6
228.71730	2.8
268.62744	2.9
290.67615	2.7
340.58624	2.7
359.28342	3.3
427.35690	12.5
434.12360	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	428.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77057	0.4
53.03939	2.1
54.90416	0.4
55.01616	0.5
55.01865	7.3
56.96548	0.7
57.03432	3.4
61.02917	1.8
69.03420	16.1
69.03799	0.9
70.03760	0.8
71.01331	1.1
71.04970	1.7
73.02605	0.4
73.02912	4.7
77.03931	0.4
79.05468	0.5
81.02957	0.5
81.03406	6.9
85.02893	40.6
86.03203	0.7
86.09698	0.6
87.04446	0.9
91.05452	3.2
93.07032	0.8
95.04939	1.2
97.02883	11.1
98.03215	0.5
98.97588	0.9
99.03241	0.4
99.04438	4.0
101.02377	5.2
103.05455	27.3
104.05733	0.6
105.07036	3.1
109.02863	6.6
109.88263	0.4
115.03917	1.6
115.05418	2.9
117.07020	2.3
118.06520	2.8
119.08569	1.0
119.13745	0.4
120.08090	1.5
121.06474	3.3
122.06020	5.6
127.03896	11.5
128.06215	1.4
129.06989	9.0
130.06512	0.9
131.04897	9.0
131.08543	7.0
132.04408	1.2
132.08076	1.3
133.06462	3.2
141.06972	3.3
143.04897	1.5
144.05653	0.7
145.04985	2.8
145.06467	6.7
146.05965	0.5
147.04396	1.1
147.08032	8.5
148.07549	30.7
149.05966	1.8
149.07903	1.1
150.05482	2.5
156.08098	1.3
157.06471	15.0
159.08041	7.0
160.03889	1.6
160.07472	2.3
161.05949	4.4
166.08611	2.8
169.06412	1.0
171.04442	2.2
172.54262	0.5
174.04494	1.2
174.09135	5.0
174.54593	2.0
175.04366	4.1
175.07513	7.0
175.54597	2.3
176.04613	0.5
177.09102	0.6
184.07562	3.3
185.05952	17.8
186.06366	1.0
187.02734	0.6
187.07481	3.8
188.06970	0.5
189.05415	0.8
202.08601	12.8
203.06999	19.1
203.08655	0.7
204.07358	0.9
205.08618	0.5
208.04941	2.5
208.55145	1.7
213.05424	1.8
219.01768	0.6
220.09688	0.6
221.08102	1.2
222.05186	0.6
223.04810	0.9
230.08096	9.4
231.06453	5.4
231.08646	0.8
231.56248	1.1
232.06087	2.2
232.56267	1.5
233.06271	0.7
237.02773	0.7
245.08058	1.6
248.09096	2.7
266.10229	5.3
267.10535	0.5
289.57797	1.2
290.07791	0.6
291.49585	0.4
305.10083	1.5
307.46671	0.4
308.11282	0.6
315.03897	0.7
329.10159	0.9
333.04980	1.2
347.11026	3.1
365.12299	2.3
368.13498	0.4
374.12265	1.0
375.11218	0.6
392.13315	4.7
410.14386	21.9
411.14691	1.2
428.15454	100.0
429.15686	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	428.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
52.30316	0.5
53.03949	0.6
55.01851	0.8
57.03443	0.4
69.03419	1.6
69.93869	1.1
73.02916	0.6
77.03909	0.6
78.25924	0.4
79.05476	1.1
81.03395	1.2
85.02891	5.8
90.52074	0.4
91.05476	2.5
93.07030	1.6
95.04966	1.3
97.02890	1.3
99.04424	0.7
101.02381	0.9
103.05453	64.9
104.05788	1.8
105.04513	0.7
105.07017	5.6
106.06533	0.7
109.02865	1.1
110.71733	0.4
118.06543	7.2
120.08065	2.9
122.06035	0.5
125.85977	0.4
127.03902	2.0
129.06920	0.7
130.06493	3.9
130.07356	0.6
131.04912	19.8
131.08556	0.8
132.05241	0.9
133.06493	0.8
141.06952	0.7
143.19229	0.4
145.06577	0.6
147.08052	0.8
148.07550	100.0
149.05983	0.5
149.07893	2.3
150.05470	0.6
157.06490	1.2
159.08041	0.8
161.05988	0.6
166.08745	0.6
175.07550	0.8
179.62947	0.5
185.05907	2.4
202.08598	1.8
203.07014	1.9
230.08118	0.5
231.06371	0.5
392.13263	0.6
392.17740	0.5
410.14337	7.9
411.14603	0.5
428.15472	54.4
429.07822	1.8
429.15707	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	428.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01867	5.1
56.14925	1.7
61.02930	3.2
69.03421	9.7
69.13697	2.2
69.14105	6.5
70.06580	5.3
73.02914	2.2
73.04752	2.5
79.05495	11.5
81.03416	4.6
84.08128	1.7
85.02901	20.0
86.09683	2.7
87.04462	2.3
91.04004	1.4
91.05381	7.5
95.04974	2.5
97.02879	17.9
105.07035	1.4
106.06547	13.5
107.04945	24.6
109.02856	3.3
109.06502	2.5
115.03913	8.8
115.05477	3.6
127.03911	4.4
128.06242	4.0
129.06993	41.2
131.04890	2.1
131.08556	7.5
133.02859	4.5
133.06485	4.2
134.05977	10.4
135.04410	16.9
141.06969	9.2
143.04936	3.0
145.04932	3.6
147.04407	3.9
147.08023	5.0
148.05203	2.1
151.03912	2.9
151.06255	2.2
152.07054	100.0
153.07399	3.6
157.06485	31.0
161.04707	2.9
161.05971	2.8
167.05534	2.0
169.06488	4.7
175.07530	8.3
176.07059	2.8
181.05016	2.3
185.05962	41.4
189.05499	3.1
193.14003	1.7
194.08026	2.6
197.05923	2.9
203.07014	24.2
213.05458	23.8
218.87263	1.4
231.06502	22.9
237.05356	1.9
238.85907	1.6
249.07542	32.7
250.08026	2.0
254.05740	2.6
266.10251	2.0
370.65659	1.5
410.14157	3.2
428.14432	11.8
428.19528	7.9
429.15878	2.5
429.21411	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	428.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03932	1.7
55.01867	8.0
55.79423	1.0
57.03416	2.1
61.02911	2.0
67.05482	1.3
68.23415	1.3
69.03416	3.1
69.44077	5.0
73.02923	1.4
79.05480	16.6
81.03398	3.3
85.02894	14.8
87.04459	1.1
91.03941	1.2
91.05438	5.4
95.04969	4.2
97.02879	14.5
98.22720	2.3
99.04438	1.6
103.05456	3.1
105.03371	6.1
105.04494	1.5
107.04967	3.2
109.02875	1.4
117.07009	2.4
119.08560	2.0
121.06502	5.1
122.15201	1.0
123.04420	17.7
127.03915	2.9
128.06213	2.2
129.06998	24.5
129.07948	1.4
131.04951	1.8
131.08551	10.7
133.02840	66.4
133.06493	3.9
134.03203	2.0
135.04396	4.5
141.06987	2.4
145.04973	3.1
145.06441	2.0
147.04417	1.2
147.08018	7.0
149.02350	1.5
149.05980	3.5
151.03886	49.5
153.05489	2.8
155.06102	1.3
157.06476	31.2
159.08058	5.9
161.05992	6.9
173.06079	1.2
175.07547	15.4
185.05954	10.6
187.03938	2.0
187.07556	1.5
189.05441	1.3
203.07008	23.8
204.07318	1.4
213.05423	2.8
221.08064	10.8
231.06502	14.4
249.07562	100.0
250.07945	3.7
267.08615	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	428.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73404	0.3
53.03926	0.5
55.01854	0.4
57.03429	1.8
58.06596	0.7
60.07864	0.4
60.08152	6.9
61.02923	2.0
63.13201	0.2
69.03062	0.4
69.03418	6.2
70.23873	0.2
71.01337	0.5
71.04974	0.5
72.08125	0.3
73.02908	3.6
81.03403	2.3
83.01332	0.5
85.02889	8.8
87.04457	4.7
90.09183	0.3
91.03935	0.6
97.02872	3.8
99.04426	2.2
101.02356	0.3
103.03925	0.5
104.10723	29.5
104.55755	0.2
105.11053	0.4
109.02856	1.9
115.03947	0.3
127.03885	3.9
127.04752	0.4
129.05428	0.6
129.31558	0.2
139.60181	0.2
145.04929	0.8
184.34048	0.2
266.15936	4.1
296.39703	0.2
415.69009	0.2
428.21191	100.0
429.21521	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	428.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63363	1.0
53.03936	1.1
55.01873	6.5
57.03434	20.1
58.44741	0.9
59.04997	2.6
61.02923	15.1
62.38894	1.0
65.21912	0.9
69.03058	2.0
69.03425	32.7
69.03801	2.0
69.49418	5.0
71.01353	5.1
71.04990	7.3
71.08632	10.2
71.55585	1.0
73.02913	100.0
79.05483	3.0
81.03411	6.9
84.04456	1.3
85.02898	74.0
87.04473	4.2
91.03934	2.7
91.05463	1.6
95.04967	1.3
97.02885	58.7
98.23422	2.5
99.04444	36.8
99.08095	3.0
100.04823	0.9
103.03925	2.9
106.06548	4.6
107.04924	6.0
109.02853	6.2
115.03919	35.9
116.04974	2.5
117.05504	1.8
117.09119	1.8
124.07644	1.0
126.05537	1.3
127.03907	25.8
133.04955	43.7
134.06042	2.5
135.04411	2.9
136.07527	1.1
138.05473	1.2
139.43777	1.0
144.06534	3.9
145.04945	39.1
150.05554	1.2
150.07648	5.4
151.06284	2.7
152.07057	37.3
156.06595	1.4
162.07578	3.3
163.06001	12.5
171.06537	1.6
180.08699	3.7
193.04935	1.4
194.08159	1.7
199.06024	1.2
213.11172	2.3
217.07156	1.2
223.06029	4.8
231.12276	2.9
241.07056	7.4
259.08072	5.9
261.13428	6.2
276.10791	1.5
277.09137	2.3
279.14511	1.1
292.10526	0.9
295.10184	2.5
385.18839	1.1
412.15881	4.8
428.20114	5.5
429.21100	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	428.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01865	8.5
57.03428	15.3
57.07071	1.6
59.05002	1.6
61.02921	14.4
69.03419	30.2
69.34439	4.7
71.01345	3.9
71.04976	1.8
73.02908	66.0
81.03404	6.9
85.02893	100.0
86.03197	1.1
87.04465	3.8
89.83391	0.9
91.03943	4.3
94.88945	1.0
97.02880	53.3
99.04440	4.6
103.03936	3.6
109.02866	7.9
115.03909	24.2
127.03905	30.6
127.04853	1.2
133.04944	38.1
145.04941	45.6
150.07632	1.5
153.05444	1.0
163.06006	26.6
169.04979	1.4
193.04938	1.9
217.07043	1.6
223.05922	7.0
241.06982	7.8
259.08105	12.0
267.08539	0.9
279.18036	2.3
295.10123	1.5
428.13950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	22.3
57.07061	2.9
61.02921	9.4
68.51044	1.6
69.03423	28.5
69.50198	3.5
69.50601	4.8
69.81436	1.4
70.06536	1.8
71.01342	2.1
71.05006	2.5
73.02912	42.7
81.03415	6.5
84.31186	1.5
85.02897	100.0
87.04460	38.1
91.03954	4.4
97.02877	44.4
98.24761	2.0
99.04454	5.8
109.02880	7.3
110.85563	1.6
115.03915	31.6
115.75961	1.7
121.06560	2.2
127.03886	31.1
133.04971	9.3
145.04942	50.8
146.42200	1.7
150.07602	2.3
163.05984	20.6
193.55602	2.0
223.05949	3.3
241.07161	3.1
245.49294	2.0
295.10239	2.5
400.10229	1.7
429.13980	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27663	0.8
53.03926	1.2
55.01871	5.3
55.05502	21.4
57.07070	7.2
58.09715	0.9
60.04516	33.6
65.03941	2.6
67.05492	38.2
69.03425	7.7
69.07056	36.6
69.10376	5.9
71.04986	3.8
71.08629	2.1
73.04764	1.0
74.59943	0.9
77.03937	1.0
79.05475	20.6
81.03361	1.0
81.07043	100.0
82.07390	1.4
83.05010	2.1
83.06098	1.3
83.08610	13.6
84.04494	1.9
85.02911	2.6
85.06529	5.9
87.04447	2.0
88.03967	7.6
91.05442	8.9
92.79745	0.8
93.07030	35.2
94.07379	1.0
95.04954	9.1
95.08591	81.3
96.00727	0.9
96.08956	1.0
97.02860	1.7
97.06529	6.0
97.10140	10.3
97.10738	1.0
99.08096	4.2
105.07019	17.0
106.05009	65.1
107.04912	1.3
107.08576	45.1
108.08949	1.2
109.06519	5.4
109.10138	53.9
111.04411	9.0
111.08061	3.7
111.11701	6.4
119.08560	17.5
120.70045	0.9
121.06487	3.1
121.10121	33.8
121.10976	1.9
123.08057	3.3
123.11683	27.8
125.05974	7.1
125.09636	2.4
126.06337	0.9
129.06587	1.2
131.08574	3.8
133.10107	12.5
135.08084	2.6
135.11664	21.1
137.09624	2.0
137.13223	12.9
139.07521	3.2
139.11197	2.9
143.08586	1.2
145.10141	5.2
147.08028	1.2
147.11658	10.6
149.09590	2.5
149.13242	20.6
151.11133	1.4
151.14828	1.6
157.10123	2.6
159.11624	5.0
161.09615	1.9
161.13205	8.3
163.11145	5.0
163.14784	12.4
167.10689	2.2
171.11725	1.3
173.13254	3.3
175.11192	1.7
175.14769	6.5
177.12749	4.6
177.16341	8.8
179.10612	1.5
179.14354	1.2
179.17990	1.5
181.12267	3.3
187.14792	1.3
189.12636	1.1
189.16391	4.3
191.14304	1.6
191.17938	1.2
192.07991	5.0
193.12222	2.9
195.13751	1.8
199.14815	1.2
203.17995	3.8
205.19481	1.7
207.13747	1.3
213.16327	1.5
220.07544	10.4
221.07973	1.4
223.16949	1.4
231.17474	1.6
238.08559	13.0
239.09027	1.1
245.22691	2.7
248.67645	1.0
249.18533	2.6
259.24124	6.0
266.08069	18.4
267.08438	1.4
269.22662	2.6
271.92642	1.0
277.22592	1.3
277.25171	6.8
287.23624	6.4
305.24707	5.9
350.23340	1.0
410.28943	13.9
414.31815	1.1
428.13095	1.2
429.20276	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01865	5.1
55.05501	24.4
57.07067	8.5
60.04518	34.0
65.03941	4.5
65.96313	2.0
67.05502	41.5
69.03423	7.2
69.07056	40.7
69.45106	7.4
69.45473	4.1
70.06590	3.3
71.04990	3.6
71.08618	3.8
79.05486	21.4
81.07046	100.0
83.04996	2.3
83.08614	14.6
85.06529	8.6
86.09673	2.4
88.03980	7.9
91.05485	8.0
93.07043	41.9
94.07422	2.7
95.04961	8.0
95.08595	82.3
96.08926	2.0
97.06544	5.2
97.10169	12.8
105.07006	16.5
106.05016	71.8
107.08584	44.1
109.06526	5.7
109.10143	51.3
111.04438	10.0
111.08060	2.1
111.11718	7.6
116.07088	4.2
119.08540	16.7
121.06554	3.1
121.10136	37.9
122.92339	2.0
123.11691	30.3
125.05998	6.1
125.09637	4.9
133.10132	12.2
135.08069	3.3
135.11687	22.7
137.06046	3.3
137.13226	16.1
143.61002	2.4
145.10120	3.4
147.11694	12.9
149.13266	22.8
151.14842	3.4
153.09111	3.4
157.10040	3.2
159.11729	5.1
161.09708	2.3
161.13242	7.6
163.11131	3.1
163.14818	12.7
165.12694	3.0
167.06902	2.3
175.14807	5.4
177.12750	5.6
177.16360	12.3
181.12262	3.5
189.16304	5.1
203.12781	2.1
203.17924	5.1
205.19431	3.2
213.16231	2.6
223.26065	2.0
255.06435	3.2
259.24261	5.8
269.22620	4.2
277.25235	9.7
287.23752	8.2
305.24710	9.7
337.51941	2.2
337.72256	2.2
359.02750	2.6
410.28885	11.7
428.26920	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	429.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35572	1.9
59.52605	2.1
60.08142	6.5
61.67593	2.3
69.03410	5.3
69.93901	7.8
73.02894	3.1
81.03410	5.0
85.02892	9.4
87.04442	4.7
99.04450	2.6
101.11491	2.2
104.10724	25.3
105.11027	3.7
124.18420	2.0
160.79330	2.3
248.89635	4.6
266.15866	4.0
274.54593	2.6
428.21167	44.8
429.07788	100.0
429.21356	49.0
430.07953	4.1
430.21722	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	429.079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04739	1.5
51.47471	1.7
52.33164	1.6
69.96561	1.8
69.96880	4.9
78.59703	1.4
82.35730	1.9
89.43494	1.8
89.48169	1.7
92.13633	1.6
92.43240	1.8
127.77270	1.6
137.41550	2.0
172.42831	1.8
185.07787	1.9
266.10175	1.9
267.10617	3.5
408.90533	1.8
429.07928	100.0
429.13425	9.1
430.08218	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	429.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	5.9
69.03397	6.5
73.04752	27.6
79.05499	6.2
85.02892	13.0
91.05802	75.9
121.02879	8.0
123.04423	6.1
131.04951	7.9
133.02841	14.3
134.32027	5.4
141.26913	6.2
145.52171	5.8
157.06487	7.6
167.05562	35.0
175.07574	5.9
203.07138	7.3
225.04321	8.5
249.07619	17.1
250.07945	14.7
325.86362	5.9
342.99680	10.7
353.81577	6.2
359.02789	39.8
380.90643	6.7
429.06998	100.0
429.12350	31.3
429.20898	23.5
430.15115	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	429.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45393	17.6
57.65879	16.3
57.82027	16.2
58.36312	16.6
66.69953	20.2
69.78904	42.3
69.79301	25.9
73.04758	25.4
79.05477	49.6
86.05439	19.2
98.23389	24.0
121.06525	22.4
123.04447	23.0
129.06992	22.8
133.02866	100.0
147.04358	35.6
150.99103	18.1
157.06432	27.4
167.05603	24.1
167.06966	18.8
183.04416	25.5
201.05496	38.3
229.04890	31.9
230.05978	21.7
271.07532	24.9
289.08664	40.0
299.06406	19.3
317.08206	42.1
335.09167	29.8
349.10770	24.7
381.09537	52.8
429.14554	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.152
Annotation	SB 243213
Peak:m/z	Relative Intensity
55.16825	0.6
67.05492	0.8
69.47423	2.8
97.02897	1.2
98.23464	1.3
109.10069	0.7
133.32973	0.6
137.09604	1.3
165.09071	2.0
181.99922	0.6
187.03644	1.1
189.05215	5.5
201.05374	1.2
211.07030	0.6
218.05431	1.0
219.06250	12.0
232.07068	0.9
233.07553	0.9
234.08601	100.0
235.09302	10.9
252.09789	0.7
260.61475	0.7
346.18756	0.7
353.07040	0.7
359.02591	0.7
369.13174	0.9
398.12979	1.5
399.14090	4.9
405.63110	0.6
429.15186	96.0
430.15460	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	429.1517
Annotation	SB 243213
Peak:m/z	Relative Intensity
51.25959	0.3
53.32074	0.3
56.24897	0.4
56.25187	0.3
70.09333	0.8
79.05424	0.4
80.06141	0.3
81.07003	0.5
85.81672	0.3
86.04101	0.3
91.05778	0.8
96.62051	0.3
97.03951	0.3
97.34581	0.3
105.06932	0.4
107.08517	0.4
129.26343	0.3
137.05931	0.6
137.09590	0.3
161.05980	0.5
167.05415	0.4
186.03127	0.5
205.04915	0.4
217.04674	4.2
219.06253	0.6
228.07231	0.4
231.90193	0.4
232.07022	52.1
233.07629	2.9
245.07768	1.0
250.07927	0.5
273.09680	0.5
381.12970	0.6
398.13422	1.0
429.15155	100.0
430.15527	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	4.0
69.37982	14.0
70.06580	14.0
72.08092	3.2
73.04739	4.0
79.93118	3.7
86.09703	8.8
91.05431	45.3
94.85595	3.6
95.04961	4.4
95.73036	3.6
99.52776	3.5
103.05449	6.2
105.03372	4.6
105.07007	3.5
106.09937	3.9
107.04917	5.3
115.05442	9.5
118.06475	3.7
119.04912	29.6
122.06014	17.2
130.06552	3.6
133.06342	3.5
136.07608	3.5
141.07156	2.9
142.06528	12.4
143.04861	4.7
143.07251	11.1
144.08070	5.3
146.05951	17.6
147.04393	72.1
150.05498	4.9
152.07097	5.9
156.08096	3.0
158.06038	5.5
160.07616	5.2
164.07048	9.0
170.06007	27.5
175.03859	49.7
182.05946	3.8
184.07455	3.0
186.05461	7.3
186.28098	3.1
188.07077	16.4
189.37090	3.1
192.06552	7.2
196.03909	4.1
202.07733	2.8
202.08450	2.7
213.04089	6.3
214.04858	4.8
215.08565	21.2
215.13860	5.0
220.09659	6.2
226.07762	6.8
227.08641	7.9
228.06525	9.2
228.09296	12.6
229.10107	3.6
238.10748	6.2
241.08818	13.7
242.09639	17.8
243.08112	6.6
243.10429	14.0
244.08775	5.3
244.11157	39.0
246.07419	6.8
253.08746	5.4
254.09631	60.9
255.08031	11.1
255.10358	7.5
256.11160	7.0
259.09760	3.3
260.10703	12.3
268.11276	5.2
269.10840	3.6
270.09097	83.7
270.11874	6.0
271.05612	6.0
271.09729	9.9
271.12323	9.2
272.10690	47.3
276.10187	4.2
282.09149	8.8
286.12195	6.1
288.10217	15.9
290.11432	6.8
297.10159	12.0
298.08591	100.0
299.08917	6.2
299.11807	11.4
300.10016	18.0
308.12836	5.1
316.09601	25.1
317.12769	11.0
318.11157	4.8
326.08115	65.9
335.14032	8.2
343.10815	9.1
344.09109	19.8
359.02695	7.8
361.11734	6.6
411.15643	4.1
412.14426	3.3
429.16031	18.6
429.21201	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	429.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87163	0.9
57.03427	2.6
61.02914	1.3
65.32377	1.1
69.03429	5.2
69.81309	3.7
71.04988	16.7
72.08174	0.9
73.02919	6.9
79.05488	8.2
81.03423	3.7
81.07040	1.2
84.04486	1.0
85.02904	7.8
86.03295	1.1
86.09712	1.5
91.05441	2.1
95.05054	1.0
97.02913	5.9
98.23381	1.4
99.04449	79.7
100.04817	2.4
105.06999	1.5
106.06541	7.7
107.04934	14.1
108.05309	1.0
109.02917	2.9
109.06535	1.6
115.03956	2.6
116.04987	4.5
117.05501	5.3
119.10699	1.2
127.03947	3.6
133.04936	1.4
133.10155	1.0
134.06041	7.2
135.04433	7.8
136.07658	1.1
145.04991	3.8
152.07056	100.0
153.07416	2.4
163.03914	1.6
167.05602	1.2
194.08058	4.9
201.05511	2.9
243.08681	2.5
285.12537	2.5
359.03104	1.2
385.18384	3.6
394.14975	4.2
412.15976	15.1
429.14304	4.5
429.21054	35.0
430.21500	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	429.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	0.6
69.81504	1.4
69.81867	0.6
71.04980	23.7
81.03405	0.7
81.07013	0.6
82.71571	0.5
91.05416	3.4
91.99915	0.4
93.07017	0.4
95.04919	0.8
99.04437	100.0
100.04772	1.4
105.07014	0.5
107.04932	1.5
108.31469	0.4
115.51669	0.4
119.04924	1.3
122.03616	1.1
126.78437	0.6
129.07011	2.2
131.04938	1.0
131.08530	0.6
135.04303	0.5
137.05957	10.8
147.11708	0.6
149.02318	2.2
149.05956	0.6
151.07518	6.6
157.06494	2.1
163.07571	1.1
165.07033	1.6
174.06749	1.0
175.07550	0.8
178.07855	1.0
179.08595	0.8
186.73923	0.5
189.09085	5.0
193.04941	1.9
193.06505	0.7
193.10080	1.3
206.07304	0.6
210.06718	0.8
221.05934	1.8
221.09598	2.2
225.09116	1.1
227.10878	0.7
249.09091	1.1
253.08536	1.5
253.12210	4.0
254.12494	0.6
267.10068	1.2
269.08026	0.7
281.11703	2.0
285.11154	3.4
287.12692	0.8
313.14334	4.2
331.15372	1.6
367.37854	0.6
429.11813	1.6
429.19037	0.9
429.25067	1.5
448.69943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22727	1.1
55.05500	2.6
57.03425	4.8
57.07045	1.7
67.05495	9.5
67.08432	0.9
69.07043	2.8
73.16225	0.9
76.56127	1.0
79.05487	7.4
81.07040	12.3
83.08570	1.8
91.05446	4.0
93.07040	10.4
95.04938	1.0
95.08604	8.9
97.10158	1.5
104.39851	0.9
105.07023	4.1
107.08571	7.6
109.10136	3.9
112.99994	100.0
117.07075	1.3
119.08556	4.3
121.10112	5.9
123.11676	1.4
131.08536	3.9
133.10097	2.7
135.11670	4.3
145.10077	3.2
147.11652	2.2
149.09511	1.3
149.13228	4.3
159.11674	2.2
161.13210	1.3
163.14774	2.4
169.02586	88.7
173.13185	2.4
187.14804	2.3
189.98190	1.1
233.22527	1.6
235.61705	1.0
243.20947	7.2
256.26294	3.6
261.19516	1.7
261.22098	20.2
262.22449	1.5
429.18912	2.0
429.31635	2.4
438.67664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3722
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
57.07066	15.6
64.03247	1.8
67.05498	2.2
69.07070	3.5
71.08627	11.8
72.70497	2.0
81.07030	5.8
83.08580	2.8
85.10175	5.9
86.79210	1.9
95.08585	7.0
107.08551	4.3
108.89009	2.0
109.10132	4.4
118.30346	2.1
119.08533	2.9
121.10120	3.1
131.08519	2.4
135.08069	5.7
137.09557	4.6
139.07498	2.8
149.09593	11.3
159.11649	4.5
159.71347	2.1
163.11140	16.4
164.11487	2.1
165.09094	100.0
166.09435	2.9
175.11169	5.8
177.09038	9.2
187.11212	2.1
191.10645	7.6
199.49529	2.8
205.12196	11.3
219.13734	3.9
233.15251	3.9
238.29741	2.1
303.23224	2.7
309.05627	2.1
317.77411	2.2
331.26144	2.3
334.80911	2.1
401.33948	3.9
410.29684	2.3
429.16934	5.9
429.37137	37.6
430.17554	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	429.3722
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05483	2.7
57.07066	20.5
64.20005	0.9
67.05499	8.2
69.07042	5.0
71.08615	12.2
71.10081	1.2
79.05468	2.1
81.07046	7.4
82.91670	1.0
83.08593	3.5
85.10152	4.6
90.45797	1.0
91.05472	3.7
93.07016	4.0
93.92340	1.0
95.08577	8.4
97.10166	1.2
97.40876	1.0
105.06997	3.2
106.28274	1.0
107.08572	8.7
109.10115	8.6
111.04446	1.4
117.06993	1.9
119.08561	7.8
121.06467	2.6
121.10126	4.5
122.07262	1.5
123.08027	2.1
129.06993	1.0
131.08531	2.8
133.10059	1.1
135.08040	9.0
135.11673	2.8
136.08839	2.3
137.09584	18.2
139.07538	2.3
145.10110	3.3
147.08002	1.1
149.09592	14.3
151.07434	1.3
159.08026	1.7
159.11679	3.2
160.08781	1.1
161.09460	1.5
162.06787	1.6
163.07504	1.4
163.11176	21.2
164.08282	3.4
165.09084	100.0
166.09412	2.0
172.08821	1.1
173.09593	3.5
173.13234	1.7
174.10313	1.4
175.07530	1.5
175.11157	5.0
176.08369	1.2
177.09058	11.4
177.12651	1.2
186.10431	1.4
187.11203	3.0
189.08954	1.2
189.12679	1.9
190.09866	1.1
191.10640	11.3
201.12779	1.8
203.10634	2.7
204.11638	1.2
205.12216	9.7
215.14171	1.1
219.13773	4.2
233.15410	1.6
247.16818	1.8
248.20235	0.9
261.95743	1.0
275.19907	1.3
289.21570	1.6
297.06790	1.1
317.24695	1.2
369.40125	1.1
382.02286	1.0
401.34073	1.4
403.73828	1.0
411.36230	1.2
413.93765	1.3
429.37195	29.7
430.37790	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	430.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27050	2.9
64.18674	3.3
65.84164	3.4
67.05490	4.8
70.06575	5.1
72.08147	10.1
79.05482	45.6
81.03434	5.8
83.32456	3.5
84.04508	7.3
84.08127	13.4
86.09695	42.8
91.05847	3.7
95.04950	25.8
95.81405	3.1
103.05505	4.1
103.20763	3.5
105.03373	8.2
105.04504	3.2
105.07047	3.6
107.04979	3.7
115.05435	20.8
119.04935	8.0
122.06021	56.2
123.04395	43.6
128.06216	4.8
129.06998	14.0
129.10249	11.0
130.05022	3.8
133.02824	16.2
133.06453	3.8
140.04944	6.3
141.05812	3.6
141.06923	4.8
142.06497	33.4
143.07259	16.7
144.08078	10.5
145.02771	4.1
147.04346	7.4
150.05533	5.5
151.03883	20.8
156.08055	21.9
157.13408	5.6
158.06030	5.9
158.09631	11.3
160.07570	11.6
166.06566	5.5
167.07172	4.4
168.06706	4.4
168.08072	8.6
170.05989	100.0
170.07393	6.2
175.03706	5.1
176.10666	4.6
177.05489	10.5
182.08102	17.4
184.07571	45.0
186.05571	7.1
186.09157	9.3
188.07047	86.5
194.05927	4.4
196.03970	20.2
198.05579	5.6
202.08702	6.9
211.06285	10.0
212.07056	51.2
217.10049	4.9
228.06483	5.7
228.09312	5.4
229.10052	4.3
243.10484	14.0
244.11151	35.6
251.09200	5.8
254.09624	21.0
255.10373	7.8
256.11218	8.2
258.12872	6.7
268.11227	6.1
270.09100	10.8
271.09811	4.4
272.10712	34.0
286.12250	14.6
298.08649	16.4
300.10172	13.1
316.09558	18.9
318.10669	3.7
336.12262	6.1
412.13803	5.3
430.14151	4.4
430.21973	5.0
431.12918	8.9
431.17889	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	430.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29043	2.6
66.54212	2.5
67.42672	2.9
69.03408	2.6
69.35522	2.2
69.35847	11.9
70.06578	4.9
72.08109	3.1
79.05486	2.5
84.08120	7.0
85.02880	4.9
86.09692	8.7
91.05428	6.2
92.05812	2.9
95.04956	2.8
104.85966	2.6
107.21989	2.3
119.04911	4.7
120.05260	3.4
121.02752	2.6
122.06015	100.0
123.04362	6.6
124.07578	4.0
129.10216	2.9
143.07292	3.3
146.05829	3.0
147.04376	7.4
148.04741	5.4
148.07521	6.2
150.05463	12.8
154.08633	2.8
155.11783	18.0
165.07851	3.5
170.06006	5.3
175.03886	5.5
176.04196	3.5
180.04742	6.2
182.08104	34.2
188.07060	4.8
212.06917	4.1
216.08781	4.3
242.09111	2.6
244.10970	5.0
251.64421	2.6
254.09581	3.0
255.09888	5.0
269.14871	8.0
271.09433	6.6
273.10898	7.7
299.09021	12.6
327.08368	10.1
430.14957	19.4
430.21097	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	430.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51812	1.3
53.03918	1.7
55.05502	3.2
58.39278	1.4
60.04533	1.6
67.05499	4.2
69.03403	3.3
69.07064	2.4
71.43972	1.8
72.08167	1.7
77.03857	1.6
79.05477	17.0
81.03399	3.0
81.07033	5.1
84.08116	2.1
85.02903	3.6
85.06499	1.6
86.09708	5.0
91.05412	9.1
93.07024	5.1
95.04948	9.0
95.08585	4.0
97.02874	1.8
97.06507	3.5
103.05451	4.1
105.03390	16.3
105.04485	2.2
105.07019	4.2
107.04983	3.2
107.08562	3.0
109.02795	1.5
109.10125	3.4
115.05428	5.7
117.07015	8.3
119.04936	4.7
119.08596	2.9
121.02868	2.4
121.06491	6.7
121.10196	2.1
123.00711	1.7
123.04427	17.9
128.06194	7.6
129.06992	23.6
131.04900	6.5
133.02835	100.0
133.06480	2.1
133.10141	1.8
134.03185	2.0
135.04488	1.4
137.05951	11.9
141.06920	2.5
143.04924	2.5
145.02837	2.1
145.06497	14.0
145.10114	2.9
147.04387	16.4
148.05212	4.3
149.02301	4.4
149.05962	6.2
151.03889	15.8
151.07578	1.8
152.04681	4.8
155.04897	13.5
155.06018	2.9
156.05652	6.0
157.06470	21.6
158.07158	1.6
159.04366	10.1
163.03802	1.7
164.07091	2.2
165.05458	20.8
168.05638	8.5
169.06468	1.5
173.05972	19.9
175.07411	1.5
183.04369	22.1
184.05170	18.7
185.05946	11.0
187.03842	3.8
189.05501	1.5
191.07002	2.2
201.05481	20.6
202.06068	2.3
202.07768	4.8
203.08598	1.6
211.03833	2.1
213.05373	2.4
215.08553	10.8
217.10118	3.4
218.07193	2.6
219.08022	3.0
226.07742	2.9
227.08528	5.0
229.04910	31.7
230.05627	8.5
231.08012	3.7
233.09514	7.8
233.11725	12.1
243.08067	7.2
244.08809	3.8
245.09669	8.6
247.07501	5.0
255.08028	5.5
255.21140	1.7
261.09097	13.4
271.07556	18.4
273.09039	9.8
275.07101	2.2
289.08572	36.8
293.08109	4.0
299.06909	13.9
303.10052	2.7
307.09674	3.3
317.08041	44.2
318.08350	4.1
321.11328	2.5
331.09418	4.0
335.09079	27.3
345.07547	5.4
349.10693	6.0
353.10123	4.7
363.08585	20.0
377.10016	3.9
381.09619	28.1
382.09805	3.2
395.11096	4.9
413.12244	10.2
430.25638	2.7
430.31305	2.1
431.16641	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	430.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01855	0.3
56.96550	0.3
57.03427	0.6
60.92765	0.1
61.02909	0.5
62.11927	0.1
69.03417	2.1
70.99152	0.2
71.01330	0.2
71.04971	0.2
73.02896	0.5
81.03398	0.6
84.96023	0.1
85.02892	4.3
87.04456	0.4
88.66218	0.1
91.03909	0.1
92.02465	0.3
94.04040	0.4
97.02882	2.0
98.97563	0.9
99.04437	0.3
103.05438	0.2
109.02878	0.4
110.97563	0.3
115.03916	0.5
116.98611	0.3
119.03529	1.6
120.67788	0.1
125.02335	0.1
127.03909	0.8
128.98586	0.2
133.04933	0.5
136.06163	100.0
137.04659	0.8
137.05673	0.2
137.06676	1.0
142.25621	0.1
143.00150	0.2
145.04971	0.7
148.07523	0.3
149.07950	0.2
152.98579	0.1
173.01236	0.3
173.02916	0.2
189.03824	0.1
191.02188	0.1
201.00685	0.1
215.03897	0.1
218.50165	0.1
219.01689	0.5
237.02719	0.6
268.10361	4.3
271.06683	0.2
274.35245	0.1
298.11475	0.5
315.03787	0.4
317.07291	0.6
333.04935	0.9
335.08392	0.2
348.86298	0.1
351.05908	0.2
430.08365	1.4
430.15601	7.4
431.07190	0.2
431.11325	0.6
431.16196	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	430.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83630	0.1
55.01847	0.3
56.54233	0.1
56.96548	0.5
57.03410	0.7
59.06492	0.1
61.02908	0.8
61.74918	0.1
68.59875	0.1
69.03057	0.2
69.03418	2.5
70.06563	0.2
71.04953	0.2
71.40760	0.2
73.02896	0.5
81.03409	0.8
84.95959	0.2
85.02892	4.2
87.04441	0.4
88.21559	0.2
91.03967	0.2
91.05779	0.4
91.62595	0.1
94.04044	0.5
97.02881	2.1
98.97577	1.1
99.04460	0.3
101.02301	0.2
109.02882	0.5
110.97566	0.4
115.03918	0.5
116.98593	0.5
119.01859	0.2
119.03546	1.3
127.03909	0.8
128.98595	0.5
133.04900	0.3
134.99667	0.2
136.06163	100.0
137.04572	0.9
137.06616	1.4
143.01872	0.2
145.03519	0.2
145.04958	0.6
152.05701	0.2
155.01883	0.4
158.99628	0.2
167.05600	0.3
173.01411	0.1
173.02975	0.2
194.00856	0.2
197.02917	0.2
201.00801	0.2
211.47528	0.1
216.98700	0.2
219.01772	0.7
221.04996	0.2
237.02777	0.8
256.84576	0.2
268.10376	3.6
274.97552	0.2
275.97934	0.2
285.99680	0.2
287.05933	0.2
298.11371	0.5
300.97449	0.2
315.03860	0.5
317.07364	0.7
317.98987	0.4
330.98892	0.2
333.04822	0.4
346.97983	0.2
360.02832	0.2
388.99371	0.2
406.00555	0.2
430.08487	0.7
430.15634	6.2
431.11530	0.9
431.16214	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	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.3
53.29455	0.8
55.01866	11.1
57.03423	5.4
59.04987	0.9
60.04514	1.7
61.02919	6.6
68.99779	3.8
69.03418	31.9
70.50505	1.3
71.04990	5.2
73.02903	11.8
81.03405	34.6
85.02890	100.0
87.00815	37.9
87.01371	1.0
87.04443	1.0
91.03951	1.9
97.02242	1.9
97.02876	39.1
98.06052	1.2
99.04446	18.3
105.01852	30.3
108.04466	8.4
109.02859	37.7
117.01855	6.2
126.05482	4.3
127.03895	77.9
128.04234	1.7
129.01817	5.9
130.25722	0.9
137.05933	1.9
137.48340	0.8
145.04930	40.2
147.02864	3.7
159.02870	29.5
165.09123	1.5
175.07599	0.8
177.03928	2.2
189.03889	1.9
189.09085	4.8
205.82454	1.0
207.10162	1.8
212.05586	0.9
213.03874	3.3
230.06578	3.5
231.04974	14.9
231.10182	2.3
248.07610	3.7
255.10144	1.4
273.11069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	11.9
55.05504	1.4
57.03426	19.6
57.07068	13.9
58.37503	1.4
59.05005	2.6
61.02922	16.5
63.04485	26.6
69.03423	33.4
69.45109	1.3
69.90640	4.3
70.06590	1.7
71.01346	5.3
71.04993	2.8
72.08166	6.4
73.02908	95.3
81.03392	4.5
85.02892	82.6
86.03230	1.7
86.09686	6.8
87.04463	4.5
91.03938	3.9
96.79478	1.5
97.02878	68.7
99.04443	4.4
101.09631	1.4
103.03922	3.6
109.02888	5.5
115.03909	32.6
119.10677	100.0
127.03896	24.3
133.04947	37.5
145.04935	34.7
150.07635	2.2
150.56807	1.6
163.06009	14.4
217.07117	1.9
223.05995	5.7
241.07108	8.4
251.14882	2.8
259.08054	9.5
277.09177	2.3
281.15887	1.6
295.10141	3.9
430.21069	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	430.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59481	0.5
53.03916	1.3
55.01842	0.7
55.05499	4.7
56.05023	0.6
57.03399	2.1
58.06591	9.2
59.04985	0.5
61.02919	2.5
65.03893	0.5
66.33577	0.4
67.05495	12.0
67.84717	0.4
69.03418	9.6
69.07062	2.8
70.06548	0.7
71.04974	0.9
72.08134	0.9
73.02920	2.6
73.28508	0.5
79.05087	0.5
79.05473	4.5
81.03411	2.2
81.07044	10.7
83.08577	1.7
84.04454	0.7
84.08108	0.8
85.02421	0.9
85.02892	13.7
86.09692	4.3
87.04456	2.9
90.70120	0.5
91.03901	1.2
91.05438	1.1
92.57005	0.4
93.07027	5.3
95.04910	0.7
95.08034	0.7
95.08594	9.9
96.08945	0.5
97.02334	0.5
97.02873	5.5
97.06491	1.2
97.10149	0.6
98.09676	4.5
99.04402	1.7
103.03870	0.7
105.06995	0.6
107.08574	3.3
109.02838	2.2
109.10133	4.8
114.09099	0.5
119.08530	0.5
121.10101	3.1
123.11694	1.1
124.11166	0.6
127.03902	3.7
135.11659	1.8
136.07539	0.6
145.04921	1.3
145.09857	0.6
149.13133	0.9
164.06947	0.5
165.05479	0.6
180.17418	0.5
188.06969	0.7
194.19003	2.1
199.18022	0.9
233.11671	1.2
248.09724	0.5
250.25256	22.7
251.25615	1.1
268.26297	71.4
269.26614	4.5
296.21490	0.4
310.27283	2.8
430.31564	100.0
431.11542	0.9
431.17914	0.6
431.31943	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	431.086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	30.9
80.33384	0.9
84.96024	12.0
91.33555	1.0
97.02889	1.2
98.97567	70.2
101.00864	1.7
102.97059	1.3
110.97556	42.9
112.99117	3.8
116.98605	14.9
119.01872	1.5
121.06502	1.2
124.99132	2.7
126.16965	0.9
127.00636	1.3
128.97618	1.5
128.98587	29.3
128.99504	2.0
129.02231	1.8
131.00180	1.9
131.01910	1.4
134.99619	2.4
140.98561	15.5
140.99622	1.2
143.00133	11.1
143.01866	1.5
144.98094	3.0
145.03413	2.5
146.99643	9.3
147.03235	1.0
152.05702	1.5
152.98578	7.1
154.93318	1.1
155.00223	4.1
155.01884	3.0
157.03534	1.6
158.99629	21.3
161.01126	5.1
161.02899	1.4
167.01849	1.5
168.98077	3.4
170.99603	11.6
173.01224	13.1
173.02910	3.2
177.00713	9.0
179.00333	1.1
182.99593	6.0
185.02943	3.0
186.99174	5.0
189.00720	5.5
191.02333	6.1
194.99629	8.1
197.01208	1.4
197.02945	1.9
199.04518	1.1
201.00667	13.5
201.02411	1.3
203.04044	2.0
208.99548	1.2
209.01280	1.9
213.00676	10.5
214.95248	1.2
215.02193	7.3
215.04065	1.4
219.01736	83.7
220.02141	2.8
221.05157	2.2
225.00673	3.9
227.02232	1.8
227.04282	1.3
229.00391	1.3
231.01659	1.4
232.96356	1.3
233.03300	3.3
237.00670	5.2
237.02769	93.5
238.03177	1.5
243.01662	3.0
253.65854	1.2
255.01657	2.1
255.03938	4.9
269.05051	2.2
270.05219	1.4
275.04324	3.5
285.02744	10.5
287.06213	4.0
288.06244	2.0
293.05365	1.5
303.03799	12.0
307.04947	1.4
307.54880	1.3
308.72266	1.0
315.03812	100.0
316.04276	4.6
317.07291	10.2
318.07318	4.2
333.04871	84.5
334.05246	3.2
335.06302	2.0
356.06601	1.8
431.08191	34.3
432.08578	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.6
56.96556	2.8
57.03434	1.3
66.54615	1.2
69.03422	3.9
69.07066	2.8
69.85551	2.3
70.06577	2.2
71.04987	3.5
72.08142	6.5
73.02914	2.3
79.05500	1.6
83.04947	1.5
84.08130	3.6
84.96056	3.0
85.02895	5.8
86.09694	10.9
97.02872	4.4
98.23397	2.0
98.97585	5.2
101.22500	1.4
105.09122	3.2
108.90942	1.2
112.08724	1.6
116.98638	2.6
126.09135	1.3
127.03946	1.2
129.05479	1.5
129.10226	1.3
137.05916	1.8
143.11838	2.6
145.04901	1.8
147.04391	4.4
148.06059	1.2
163.03932	4.3
170.99657	2.6
171.49693	1.3
173.01199	2.5
185.12950	1.6
189.00716	2.0
189.09068	13.8
191.02264	3.0
197.01221	2.2
213.00700	1.7
215.02280	2.4
217.08601	2.3
235.09677	5.4
237.02791	2.0
257.03381	2.6
333.04919	2.7
361.02258	1.5
430.21222	3.2
431.09445	100.0
432.09924	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	431.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20865	1.1
51.70382	1.2
69.45570	2.4
69.45985	3.0
78.82303	1.1
91.05794	1.5
116.21729	1.3
117.22636	1.3
147.04459	1.0
159.24995	0.9
167.68880	1.0
217.47060	1.1
219.36086	1.1
259.45050	1.1
301.71954	1.2
361.03152	1.2
389.97037	1.3
431.09500	100.0
431.15036	5.0
432.09827	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	431.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13906	1.1
51.58333	1.1
55.10737	1.1
56.96549	1.2
60.11077	1.0
69.03426	1.6
69.74177	1.1
70.06567	1.7
70.72540	1.8
71.04942	1.5
72.08120	1.1
73.02917	1.5
84.04483	1.7
85.02886	1.3
91.05765	2.3
98.97559	2.1
126.05488	1.3
128.05025	1.1
138.09084	2.0
146.05980	2.2
151.06239	2.1
187.95265	1.3
189.10201	1.5
203.87564	1.3
263.70270	1.2
271.14682	1.4
361.02609	2.1
430.14719	1.2
430.20679	1.3
431.09375	100.0
432.09909	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	431.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80844	0.5
51.40776	0.5
66.33602	0.5
72.08127	0.7
79.05481	0.5
84.08125	0.8
84.14591	0.6
86.09692	4.3
97.02870	0.9
98.97546	0.7
109.02903	0.5
116.98566	0.7
121.02840	1.6
121.56857	0.6
123.04429	1.1
127.38474	0.5
137.05927	2.1
139.03885	0.6
147.04333	0.7
161.05930	0.8
163.07498	1.2
177.05460	1.1
191.07018	1.6
205.04918	0.5
220.09729	0.6
223.98013	0.5
269.13574	19.0
270.14008	0.9
280.11862	3.0
284.07996	0.5
387.19952	1.0
431.18622	100.0
432.19653	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	431.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01852	1.3
55.05514	1.1
55.14051	0.4
57.03421	0.9
57.07072	1.1
59.04986	0.5
61.02909	0.5
67.05509	2.5
69.03419	9.6
69.07061	10.3
70.07401	0.5
71.03163	0.5
71.04966	1.9
71.08623	0.7
72.08139	1.1
73.02900	0.9
79.05474	2.6
81.03403	4.0
81.07046	18.2
83.04964	3.5
83.08614	0.9
84.04494	0.6
85.02888	9.4
85.06540	3.6
86.09691	2.0
87.00809	3.6
91.05441	1.3
93.07050	2.1
95.04937	0.7
95.08599	3.2
97.02885	2.5
97.06508	1.6
98.63276	0.5
99.04446	3.8
99.08085	11.4
105.01826	2.0
105.07015	1.8
107.04944	0.6
107.08553	3.4
109.02844	3.2
109.06495	4.0
109.10181	2.7
111.08042	1.0
113.06007	1.4
119.08530	0.9
121.10135	8.9
123.08055	2.0
123.11668	4.2
124.07604	0.5
125.09622	6.5
127.03897	5.2
127.07531	3.1
131.04900	0.8
131.08484	0.7
135.11617	0.5
136.07579	3.6
137.05998	0.6
137.09540	2.3
137.13239	1.8
139.11156	7.2
140.11476	0.4
145.04926	1.9
145.08553	0.9
147.11670	1.8
152.07085	0.6
159.02866	1.2
164.07031	3.3
165.12749	4.7
183.13777	100.0
184.14101	3.1
189.75220	0.5
226.33598	0.5
231.04958	1.2
231.17053	0.6
269.10037	0.6
269.12875	0.5
279.30914	0.4
431.18500	6.5
432.12344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01862	1.5
55.05504	2.9
57.03417	2.5
57.07055	1.4
58.47549	0.9
61.02910	1.0
62.33861	0.8
67.05495	4.0
69.03431	6.4
69.07064	4.4
71.00076	1.1
71.04980	1.7
72.08134	1.0
73.02900	1.4
73.13415	0.9
79.05482	3.1
81.03407	4.8
81.07054	10.5
83.04973	1.8
83.08607	0.7
85.02898	10.7
85.06538	3.5
86.09685	1.6
87.00831	3.8
91.05481	1.2
93.07025	3.2
95.04965	2.0
95.08587	7.2
97.02882	5.1
97.06528	4.0
99.04459	2.2
99.08065	2.4
105.01849	3.1
105.07046	2.2
107.08591	8.0
109.02869	5.0
109.06497	3.4
109.10169	7.9
111.08066	4.0
117.01868	0.9
119.08552	2.2
121.02809	0.8
121.10133	14.0
123.08047	3.1
123.11697	6.3
127.03893	7.5
127.07568	1.2
133.10138	1.0
135.11615	1.1
136.07552	2.9
137.05920	0.9
137.09607	8.1
137.13245	5.2
139.11169	11.9
145.04936	1.6
145.08536	1.2
147.11668	3.8
148.07507	0.9
149.13187	1.1
159.02861	1.1
164.07051	2.2
165.12741	6.2
166.08655	1.2
171.01810	0.8
183.13786	100.0
184.14085	2.9
214.15926	0.8
231.04921	1.1
278.41422	0.7
286.71741	0.8
359.79202	0.8
397.75217	1.0
431.18002	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	431.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99594	1.2
53.61892	1.2
55.05500	2.1
56.96556	1.3
57.03422	5.4
57.07056	2.6
67.05492	10.4
68.29514	1.1
69.07058	3.0
69.10683	6.0
69.11098	2.2
69.11608	1.3
71.08625	1.6
75.49969	1.1
79.05471	4.5
81.07046	12.6
91.05463	3.2
93.07029	3.7
95.08581	13.0
97.10099	1.6
105.07040	1.7
107.08576	3.0
109.10134	4.2
111.27428	1.1
112.99998	100.0
119.08601	2.5
121.10160	3.9
123.11737	1.7
135.11584	1.7
137.13190	1.4
161.13242	1.3
163.14685	1.3
167.06935	1.4
169.02588	84.9
203.16048	1.2
245.22694	3.9
263.23694	6.3
317.17831	5.7
335.18854	3.4
405.17273	1.4
431.21890	2.3
431.31863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67144	0.5
59.55960	0.4
69.42182	2.0
70.06612	0.7
72.08142	0.7
81.03410	0.5
86.09703	3.3
90.71588	0.5
97.02926	0.8
98.22688	0.9
103.01093	0.5
121.02827	3.3
123.04446	0.7
131.04962	0.8
137.05989	1.1
139.03946	0.8
149.68512	0.6
161.06007	1.0
167.07307	0.5
175.07565	0.5
177.05518	0.6
191.07097	0.8
203.07108	1.2
217.33054	0.5
262.41550	0.5
269.13641	3.1
280.11966	1.1
322.91696	0.5
413.21494	8.0
413.26465	0.7
431.22775	100.0
432.23209	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	431.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05503	2.4
56.05028	6.1
56.54424	1.1
57.43664	1.1
59.39570	1.1
67.05505	8.4
69.03394	1.3
69.07050	3.0
73.02908	1.6
79.05491	11.3
81.07062	9.8
83.05005	1.5
83.06100	28.5
83.08594	3.9
84.04495	100.0
85.02885	3.2
91.05469	9.2
93.07034	15.9
95.04935	2.7
95.08598	6.1
97.06526	2.8
101.07124	15.0
102.05522	11.7
105.07012	5.6
106.37039	1.2
106.42982	1.3
107.08594	10.3
109.06471	2.1
109.10136	3.1
111.08042	2.5
117.07006	1.6
117.66882	1.2
119.08541	5.7
121.10137	17.0
123.04414	1.1
123.08031	3.2
129.06586	42.6
130.04990	79.4
131.08563	3.8
133.10115	6.7
135.08018	2.3
135.11671	7.5
137.05960	1.3
137.09578	5.1
139.07521	1.3
143.08513	1.1
145.10112	1.3
147.07625	33.4
147.11655	4.8
149.09595	2.6
149.13255	1.4
151.03984	1.3
151.07512	1.1
151.11165	2.8
153.09146	1.4
159.11714	1.5
163.11172	1.4
165.12766	1.3
175.84575	1.2
203.17996	2.2
213.16365	4.4
231.17398	6.9
231.48775	1.0
248.20023	2.0
249.18449	30.3
266.21112	17.5
267.19440	3.3
284.22189	11.1
287.05414	10.9
288.05734	1.4
350.23129	3.2
359.23035	1.9
365.08206	1.7
377.24310	30.8
378.23062	2.2
395.25250	14.8
396.23743	3.6
413.26321	12.7
431.16415	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	431.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78701	1.0
53.03936	1.2
55.05504	2.5
56.05042	6.7
59.36491	1.4
61.43048	1.1
67.05490	10.1
69.07066	3.2
70.02452	2.8
70.02803	1.2
71.04994	1.3
79.05484	9.0
81.07047	10.2
83.04957	1.1
83.06093	29.1
83.08609	4.1
84.04495	100.0
84.85764	1.0
85.02881	2.2
91.05453	6.6
93.07038	12.9
95.04922	2.3
95.08620	7.4
97.06532	1.4
101.07127	12.7
102.05527	9.0
105.07024	5.0
107.08597	8.3
108.11176	1.2
109.10136	2.1
119.08562	5.1
121.10146	13.0
129.06583	39.3
129.07538	2.3
130.04990	76.2
131.08545	3.1
133.09180	1.1
133.10123	4.9
135.08034	1.6
135.11668	6.2
137.09593	5.3
139.11076	1.2
143.08597	1.4
145.10110	1.7
147.07622	25.4
147.11687	3.9
148.06012	1.2
149.09605	2.6
151.11176	4.3
151.81792	1.1
153.09102	2.1
153.76830	1.3
171.11728	2.4
185.78705	1.2
191.82336	1.1
203.17950	2.4
213.16345	4.2
231.17395	5.1
233.59770	1.3
248.20151	1.4
249.18483	30.4
251.65309	1.1
252.70940	1.1
266.21100	17.0
276.87137	1.4
284.22269	10.5
287.05472	1.8
332.22162	1.6
350.23221	3.6
352.47501	1.2
359.23328	1.6
363.12155	1.3
377.24341	22.6
392.80591	1.2
395.25290	10.9
396.23798	2.4
400.20227	1.3
413.26251	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	432.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67786	0.5
65.91827	0.6
69.53886	0.8
69.54276	1.4
72.08154	0.8
74.78922	0.5
81.03400	0.8
86.09702	1.2
91.05463	0.8
93.07034	1.0
95.04955	0.8
109.02870	1.1
112.71821	0.5
122.06039	0.8
124.07552	1.9
136.07558	23.1
137.07895	9.2
138.09157	1.2
142.54451	0.6
152.07065	4.3
153.07399	1.8
164.07033	20.8
165.07391	9.3
255.67184	0.6
256.11331	0.7
270.07346	1.7
287.05466	4.2
287.13956	1.4
288.14209	1.8
297.11798	0.6
312.08353	2.0
342.09470	2.3
356.91470	0.6
366.15176	0.8
372.10495	4.7
404.66238	0.6
414.17218	0.9
432.12585	100.0
433.12970	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	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
69.03423	2.5
69.82358	2.7
71.04983	1.1
72.08144	5.6
73.02947	0.9
84.08141	1.7
85.02895	7.5
86.09715	4.0
87.96786	0.8
91.05463	1.4
97.02877	1.9
98.22727	1.2
103.65806	0.8
105.07036	1.9
107.55839	0.8
119.94463	0.8
121.10136	0.9
123.04449	1.0
127.03922	2.9
133.02847	1.9
133.10153	1.4
143.08556	2.2
145.05002	1.2
145.06480	1.5
147.04398	8.6
147.07780	1.1
151.03871	4.5
160.05161	2.5
161.05954	3.3
161.09587	5.2
171.08047	1.4
173.09547	1.3
174.06702	7.0
175.03894	2.0
175.07373	1.2
179.03413	3.6
184.76802	0.8
189.09082	100.0
190.09351	4.4
215.10443	1.0
217.08604	12.9
219.13393	0.9
224.37939	1.1
224.40720	0.8
235.09607	33.7
236.09958	1.7
267.06384	0.8
270.04282	2.0
270.16901	1.2
286.15613	1.0
405.11505	1.8
432.09897	8.5
433.11084	13.8
433.16589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.5
57.03431	0.5
61.02898	1.0
69.03424	2.4
70.06599	2.0
70.73403	0.6
72.08150	0.6
81.03403	0.9
84.08117	0.6
84.40514	0.4
85.02888	5.8
86.09713	0.5
91.05450	1.2
95.04932	0.5
97.02863	2.0
101.15678	0.4
105.07002	1.6
109.02854	1.0
110.07184	0.5
116.07045	2.1
117.88207	0.5
119.04910	0.9
119.08529	1.0
123.04411	1.1
127.03920	0.7
128.06230	1.0
129.10204	0.4
133.10107	1.4
139.03836	0.8
143.08542	3.1
145.04895	0.7
145.06458	0.9
145.10118	0.5
146.07228	0.8
147.03278	0.8
147.04388	9.8
147.08038	0.9
148.04678	0.4
151.03880	4.5
160.05185	2.3
161.05954	4.2
161.09595	6.4
171.08041	1.6
173.09604	1.6
174.06732	7.4
175.03844	2.0
175.07484	0.9
177.05403	0.7
179.03340	3.5
189.09076	100.0
190.09419	3.9
193.04967	1.2
217.08569	13.5
218.08817	0.7
231.03059	0.4
235.09621	31.0
236.09975	1.2
271.11609	0.6
296.16183	0.4
433.16730	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	432.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.8
56.05019	5.9
67.05493	6.4
69.07053	4.5
69.21162	2.5
69.21570	5.1
79.05492	8.1
81.07027	6.8
81.70720	1.2
83.08591	4.3
84.04491	100.0
85.02883	2.2
85.04810	1.6
91.05460	7.2
91.19189	1.0
93.07024	9.2
95.08576	5.5
97.06510	1.9
98.23434	2.2
102.05527	46.4
103.94348	1.3
105.06999	3.0
107.08588	6.3
109.10116	3.3
111.08025	1.8
119.08559	5.0
121.10147	9.0
123.08037	1.3
123.11688	1.6
130.04980	45.6
131.08551	2.5
133.10106	3.8
135.11630	3.4
137.09596	4.5
147.11635	2.5
148.06013	24.9
149.09541	2.0
151.11171	2.5
153.09047	1.9
158.98897	1.0
171.11684	1.4
203.14485	1.2
213.16354	2.6
230.19028	1.3
231.17349	3.2
247.67566	1.4
248.20056	5.0
249.18466	27.8
266.21207	3.7
267.19565	3.4
287.05426	1.3
350.23163	12.2
368.24210	3.5
378.22729	2.0
396.23856	13.4
414.24615	2.6
432.19931	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81550	0.6
73.06550	1.2
86.09727	0.6
87.04459	5.6
89.06014	100.0
90.06360	1.4
99.04453	1.2
107.07053	2.1
117.09141	0.5
131.07037	1.7
133.08580	56.5
134.08926	1.2
168.73436	0.5
175.09642	1.0
177.11179	20.5
195.12218	0.8
221.13791	4.4
239.14812	1.2
265.16364	0.9
283.17502	1.6
327.20078	1.9
337.83084	0.5
354.94128	0.6
371.22705	2.1
397.24323	0.6
415.25311	13.0
416.25601	0.6
432.19162	3.7
433.15054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.112
Annotation	Kaempferol-7-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
55.05497	0.2
68.99776	0.5
69.17038	0.5
69.17438	0.3
71.04987	0.3
79.05479	0.5
81.03404	0.2
81.07019	0.1
85.02876	0.5
95.04948	0.2
95.08558	0.2
97.02760	0.1
101.85373	0.1
102.97594	0.2
105.03373	0.3
107.04930	0.6
108.71038	0.2
109.02856	0.4
111.00792	1.3
121.02841	3.5
129.06992	0.2
129.80305	0.1
133.02837	0.7
135.04419	0.2
137.02313	1.3
145.06470	0.4
147.04381	0.7
153.01793	5.2
154.02106	0.1
157.06448	0.6
165.01802	2.3
169.03552	0.2
171.04378	0.5
181.04953	0.2
183.02879	1.3
185.05939	0.7
185.37512	0.2
203.03392	0.2
203.07040	0.2
213.05431	1.8
229.04919	0.2
231.06436	0.9
241.04913	1.2
258.05225	1.3
259.05942	0.6
269.04364	0.2
287.05438	100.0
288.05771	5.3
295.63370	0.2
299.05334	0.3
329.06421	0.3
352.41986	0.1
397.09277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
51.28434	1.2
57.03414	4.7
64.36613	1.1
67.05484	2.7
69.03407	3.5
69.07063	2.7
70.03788	4.0
70.06580	2.0
71.04990	24.4
72.08113	1.3
79.05485	2.2
81.03397	1.6
81.07024	2.6
83.04951	1.4
84.04465	1.6
85.02892	26.4
86.09705	1.2
91.05528	1.6
93.07015	2.1
95.04941	2.7
95.08597	3.2
97.02871	1.5
99.04468	1.9
105.06991	2.7
107.08507	1.3
109.02869	2.7
109.10089	2.3
111.04436	1.8
119.08578	1.4
119.09425	1.3
121.02872	6.7
127.03912	2.4
129.05424	3.8
133.02818	1.6
135.04272	1.6
137.02303	2.0
137.05942	1.4
153.01819	3.9
164.07002	1.5
165.01781	1.3
168.74893	1.3
271.05942	3.3
287.05450	100.0
288.05768	4.1
299.05276	1.8
329.06546	2.8
397.09161	2.5
433.15588	2.2
433.20370	12.4
438.50809	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
50.03271	0.1
61.50776	0.1
67.01854	0.6
67.93641	0.1
68.99791	0.4
69.15868	0.7
72.79500	0.1
73.54865	0.1
79.05472	0.1
91.05464	0.5
93.07040	0.1
95.04927	0.1
97.02858	0.1
111.00728	0.1
111.04408	0.1
119.04930	2.2
121.02877	0.6
127.03908	0.1
130.04930	0.1
133.10173	0.1
137.05997	0.2
145.02834	0.4
153.01805	5.1
154.02216	0.2
161.05890	0.1
163.03886	0.3
170.05707	0.4
171.02855	0.4
181.04910	0.2
183.04163	0.1
185.05856	0.2
187.03822	0.2
203.07057	0.2
225.05428	0.3
229.04970	0.1
243.06563	0.4
247.12329	0.1
271.05963	100.0
272.06311	4.9
272.08670	0.1
287.05386	0.4
433.11356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Kaempferol-7-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
51.99793	0.1
65.03906	0.2
68.99782	0.6
71.04979	0.3
79.05498	0.2
85.02897	0.5
95.04976	0.1
105.03369	0.4
107.04930	0.4
109.02849	0.3
110.21001	0.1
111.00790	0.9
111.04443	0.1
113.21954	0.1
115.05470	0.1
121.02854	3.5
121.03753	0.2
127.03898	0.1
133.02812	0.6
135.04391	0.2
137.02324	1.0
142.86627	0.1
145.06479	0.3
147.04393	0.6
153.01807	5.1
157.06471	0.4
161.05951	0.3
164.07076	0.1
165.01805	2.3
171.04367	0.2
183.02881	1.1
185.05974	0.6
189.05417	0.2
197.05927	0.2
203.07050	0.1
213.05457	1.6
214.06020	0.1
229.04979	0.1
231.06433	0.8
241.04985	1.1
243.06483	0.2
258.05194	1.2
259.05997	0.7
269.04312	0.2
270.05035	0.1
271.06042	0.1
287.05453	100.0
288.05783	4.6
329.06693	0.1
433.10928	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	433.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61354	0.0
59.11177	0.0
67.01858	0.5
68.99768	0.3
69.03431	0.1
69.09985	0.2
69.83245	0.0
79.05497	0.1
85.02898	0.1
87.19458	0.0
91.05453	0.5
95.04969	0.1
97.02879	0.0
98.22754	0.1
98.97574	0.1
103.77393	0.0
109.02856	0.1
111.00803	0.0
119.04927	2.0
121.02859	0.7
123.04401	0.1
125.02282	0.1
127.03909	0.1
129.01804	0.2
130.46361	0.0
131.04932	0.1
133.02815	0.1
137.06009	0.1
139.05283	0.0
141.06981	0.1
145.02820	0.6
151.03824	0.1
153.01805	4.9
154.02094	0.1
155.03375	0.2
161.05939	0.1
163.03876	0.4
169.06355	0.1
170.05737	0.7
171.02901	0.5
181.04904	0.1
185.05850	0.1
187.03868	0.2
197.06058	0.1
201.05453	0.0
203.07047	0.1
209.04431	0.1
211.03845	0.1
225.05495	0.3
229.04926	0.3
243.06471	0.3
247.06017	0.1
253.04800	0.0
271.05963	100.0
272.06302	4.7
287.05505	0.2
299.05768	0.1
329.06497	0.1
371.11285	0.1
397.08859	0.1
433.10968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61354	0.0
59.11177	0.0
67.01858	0.5
68.99768	0.3
69.03431	0.1
69.09985	0.2
69.83245	0.0
79.05497	0.1
85.02898	0.1
87.19458	0.0
91.05453	0.5
95.04969	0.1
97.02879	0.0
98.22754	0.1
98.97574	0.1
103.77393	0.0
109.02856	0.1
111.00803	0.0
119.04927	2.0
121.02859	0.7
123.04401	0.1
125.02282	0.1
127.03909	0.1
129.01804	0.2
130.46361	0.0
131.04932	0.1
133.02815	0.1
137.06009	0.1
139.05283	0.0
141.06981	0.1
145.02820	0.6
151.03824	0.1
153.01805	4.9
154.02094	0.1
155.03375	0.2
161.05939	0.1
163.03876	0.4
169.06355	0.1
170.05737	0.7
171.02901	0.5
181.04904	0.1
185.05850	0.1
187.03868	0.2
197.06058	0.1
201.05453	0.0
203.07047	0.1
209.04431	0.1
211.03845	0.1
225.05495	0.3
229.04926	0.3
243.06471	0.3
247.06017	0.1
253.04800	0.0
271.05963	100.0
272.06302	4.7
287.05505	0.2
299.05768	0.1
329.06497	0.1
371.11285	0.1
397.08859	0.1
433.10968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01863	1.4
57.03421	3.2
61.02909	2.1
67.05522	0.9
69.03407	5.9
70.06582	3.5
71.46375	0.9
72.08142	2.9
73.02898	10.8
81.03406	2.0
84.08134	1.7
85.02885	17.7
86.09706	2.5
97.02860	8.1
99.04440	1.3
109.02854	1.6
110.06013	1.7
111.04449	1.6
111.30629	1.0
115.03889	6.2
120.58339	1.0
123.04429	1.4
127.03875	6.8
132.04428	25.1
132.24533	1.0
133.04936	3.7
138.05505	1.2
145.04926	7.9
155.78754	1.0
157.04951	15.7
163.05960	2.3
223.06032	1.2
259.08081	1.5
264.93738	1.1
301.12491	6.1
433.12848	100.0
433.17163	60.2
434.13351	4.7
434.17871	2.5
435.46655	1.1
447.69516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01863	2.0
55.05500	0.7
59.04985	0.3
60.04519	0.6
68.02631	0.9
69.03416	2.7
70.06584	0.5
72.08145	2.9
74.06053	0.3
81.03409	1.3
83.04971	2.0
84.04493	0.5
85.02897	2.4
86.09685	3.1
86.80798	0.4
87.04446	1.2
88.54234	0.3
93.07046	0.4
95.04941	0.7
97.02862	3.4
98.97596	0.5
109.02850	0.9
111.04428	11.7
115.03916	13.4
116.04341	0.4
127.03902	2.8
131.04858	0.6
132.04401	1.1
132.10178	0.7
133.04927	0.9
145.04932	0.4
153.46649	0.3
156.23997	0.3
157.04939	100.0
158.05276	1.6
161.06027	0.4
215.10147	0.4
219.13318	0.8
259.08191	0.5
301.12476	0.5
433.10941	3.0
433.16653	9.0
434.16803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71502	0.3
53.03931	0.4
55.01852	1.5
57.03416	0.4
59.04996	0.5
60.97792	0.3
68.02639	0.7
69.03425	3.5
69.82423	1.0
72.08109	0.5
73.02901	0.4
79.99148	0.3
81.03412	1.9
83.01314	0.6
83.04980	1.9
85.02893	5.3
86.09698	1.3
87.04436	1.6
91.03922	0.3
95.04948	0.8
97.02877	3.3
97.51466	0.3
99.04427	0.4
109.02845	1.2
111.03654	0.6
111.04432	11.0
115.03918	12.0
123.04407	0.7
127.03900	1.5
127.08672	0.3
132.03508	0.7
132.04436	8.0
133.04877	0.4
140.04674	0.4
143.01534	0.4
145.04921	1.6
157.04944	100.0
158.05241	2.8
182.01004	0.4
259.07986	0.4
433.16226	1.1
437.11511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21685	0.3
55.01861	0.6
56.96523	0.3
57.03421	0.7
61.02911	0.7
69.03407	1.1
70.06571	0.4
72.08151	1.0
73.02910	3.3
74.06047	0.4
76.61248	0.3
81.03408	0.4
84.08133	0.4
85.02892	3.5
86.09721	0.5
87.04470	0.4
87.07561	0.3
88.60043	0.3
91.03944	0.4
93.91891	0.3
97.02879	2.0
115.03900	1.3
127.03904	1.6
132.04462	2.2
133.04945	1.1
137.05988	0.3
145.04930	2.0
151.07526	0.4
157.04930	1.3
163.06000	0.6
166.08588	0.3
200.95131	0.3
203.05302	0.3
233.32497	0.3
275.07495	0.3
301.12546	6.4
302.13242	0.3
315.84915	0.3
335.09521	1.0
380.08337	0.3
433.16757	100.0
434.11691	0.5
434.17111	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	433.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.9
58.91953	2.2
62.11420	1.9
69.04565	2.1
69.07063	3.4
71.05672	3.5
76.01390	2.4
78.83308	2.3
79.05465	2.4
81.07055	8.1
82.11952	2.4
87.14481	2.4
91.05482	3.5
93.07053	6.2
95.08593	4.8
105.07017	2.9
107.08620	4.0
109.06412	2.4
109.10175	4.0
119.08566	4.3
120.17159	2.1
121.10152	2.6
133.10181	2.2
137.06009	4.3
137.09569	4.5
153.01793	2.8
181.04970	2.9
193.12250	7.3
211.13324	6.2
271.05994	26.3
275.05243	3.8
327.15704	10.9
355.15073	5.9
397.16144	3.2
415.17236	100.0
416.17511	5.9
433.18341	82.2
434.18732	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	433.2042
Annotation	Glu Arg Glu
Peak:m/z	Relative Intensity
57.03431	0.8
62.18818	0.3
69.03435	0.4
69.45544	0.5
69.45933	0.9
71.04981	5.6
76.76324	0.3
80.84660	0.3
81.07051	0.4
85.02899	5.4
100.11217	0.4
107.04977	0.5
121.02875	0.9
129.05424	1.6
137.05963	0.3
153.01811	1.2
181.04915	0.5
245.06151	0.3
271.05945	3.9
275.07428	0.9
287.05463	22.2
288.05875	1.5
294.26801	0.3
299.05518	0.5
301.16217	1.2
329.06567	0.7
335.09436	1.0
377.35095	0.3
397.09323	0.4
433.20392	100.0
434.20709	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	433.2096
Annotation	Glu Trp Val
Peak:m/z	Relative Intensity
56.96561	3.3
67.05467	3.7
70.51685	3.4
70.52024	3.0
79.05476	3.2
90.01687	2.6
93.07008	3.1
98.24902	2.5
105.06949	2.7
124.55766	2.5
141.02315	2.8
149.47351	3.2
152.86807	2.6
234.07947	3.3
252.09274	3.3
276.32437	2.8
319.13507	6.7
372.18521	4.5
415.10623	3.1
415.19855	54.9
428.23846	3.0
433.20966	100.0
434.21301	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	433.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.5
56.30918	0.4
57.03446	0.5
61.01161	0.5
67.05486	0.6
69.03414	2.7
69.07058	7.9
70.06577	0.6
71.04964	1.1
71.44250	0.6
72.08139	1.6
73.02927	0.7
75.05592	3.1
79.05481	0.7
83.04964	0.5
84.04488	1.1
85.02888	2.3
86.06061	4.4
86.09695	100.0
87.10040	1.6
91.05459	0.9
93.07014	0.5
95.04954	0.8
95.08644	0.6
97.02883	1.0
99.04427	1.3
102.05520	0.5
103.19582	0.5
104.05315	2.3
105.07011	0.5
107.04944	0.6
107.08543	0.5
109.02856	0.7
109.10135	1.2
111.04372	0.5
114.05511	9.6
119.58517	0.4
121.02834	4.9
121.84908	0.5
129.06648	0.7
130.04985	0.5
130.06506	1.9
132.04466	0.7
133.03136	1.7
133.10135	0.6
137.02287	0.6
143.11774	13.9
144.12146	0.5
145.06500	0.5
147.04350	0.6
147.11597	0.5
150.05809	3.7
153.01859	1.3
153.06609	1.0
157.07599	1.2
158.05966	0.5
159.09126	0.6
165.01778	1.0
166.16336	0.4
171.07605	3.6
171.11317	1.7
175.08684	0.9
181.04991	0.5
183.02911	0.7
195.02911	0.5
199.64273	0.4
229.04878	0.7
240.87140	0.4
256.16534	12.8
256.19125	0.8
258.05142	0.7
259.06006	0.8
263.05453	0.5
263.14203	0.6
271.05954	2.6
272.06564	0.6
278.15350	0.5
283.06055	0.9
284.16061	3.5
286.04691	0.9
287.05453	28.3
288.05835	1.6
288.16861	0.5
299.05472	8.6
299.13773	0.8
300.06238	3.7
302.14905	1.0
311.05554	2.1
313.07025	1.7
316.16431	0.5
325.07056	1.4
329.06516	9.9
329.15674	0.7
339.04831	0.5
341.06302	0.6
343.08005	0.5
351.08548	0.7
353.06476	5.2
359.07663	0.8
379.08063	2.1
397.09125	10.6
397.18384	0.6
398.09357	0.8
415.10168	6.8
415.19583	0.9
433.11313	6.3
433.20410	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03944	1.3
55.01863	2.2
55.05509	13.7
57.03441	14.6
57.07066	4.0
57.71316	1.5
65.03926	2.3
65.90976	1.6
67.05505	68.8
69.07060	14.8
69.55014	3.8
69.55428	4.5
71.08617	2.6
72.95128	1.6
73.96630	1.3
77.37179	1.5
79.05488	32.7
81.07056	71.5
82.07417	2.1
83.04952	3.1
83.08597	5.6
91.05481	20.8
93.07043	54.4
95.04959	5.3
95.08602	51.8
97.06541	3.8
97.10152	3.4
98.98464	100.0
102.39480	1.8
105.07040	15.7
107.08589	34.9
109.06482	1.9
109.10149	26.8
111.08087	2.1
116.99474	2.8
117.07021	8.2
119.08582	13.4
121.10142	28.6
123.08034	1.9
123.11717	13.1
125.09493	1.5
129.05518	1.7
131.08542	12.7
133.10120	11.7
135.11696	17.3
137.09575	1.9
137.13260	4.2
145.10118	11.4
147.11723	10.3
149.13272	13.7
153.05482	1.9
155.01030	9.3
159.11707	11.3
160.12216	2.0
161.13295	8.1
163.14795	8.4
173.02080	19.5
173.13277	10.6
175.14771	4.2
177.02086	1.7
177.16370	2.7
187.14816	3.4
218.59909	1.6
220.42831	1.6
233.22586	3.8
243.21107	18.9
244.21387	1.9
259.74280	1.7
261.22125	60.6
262.22525	2.2
271.06091	3.2
279.23227	3.1
317.24759	8.9
335.25784	97.9
336.26160	6.3
403.10205	3.3
433.14600	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15979	3.7
55.05494	6.2
57.07088	3.8
59.95864	3.6
67.05493	39.1
69.07054	7.7
69.80841	10.7
69.88388	3.6
71.42137	3.4
76.09583	3.9
76.14629	3.4
79.05474	10.7
81.07046	37.1
83.08588	6.7
88.96600	3.4
90.68469	4.1
91.05471	17.0
93.07038	10.1
93.28604	3.8
95.08588	39.9
97.10192	5.2
98.22716	5.1
105.07014	6.3
107.08608	8.6
109.10155	18.3
119.04916	22.3
119.08524	5.0
121.10132	8.9
123.11737	11.0
133.10071	6.6
135.11668	9.2
137.13261	6.1
142.12793	3.8
147.04388	100.0
149.13239	3.9
151.11177	6.2
165.05463	20.3
174.53203	4.5
182.17142	3.3
215.17892	10.1
233.18945	7.1
237.22125	6.4
251.20029	10.7
255.23209	8.1
277.01260	4.0
306.59467	3.7
311.67603	4.0
403.10172	10.5
415.26666	6.0
433.14575	13.3
433.25186	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	433.2582
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
52.71901	1.3
55.05502	5.7
62.57214	1.2
65.03925	2.3
67.05495	39.7
69.07063	4.4
69.75888	4.1
79.05482	8.2
80.94852	2.3
81.07047	44.6
83.08593	6.3
91.05467	23.9
93.07032	8.7
95.04957	2.7
95.08593	42.9
97.06506	1.7
97.10148	2.1
105.07022	4.1
107.08564	6.8
109.06513	1.8
109.10144	20.0
111.08080	2.6
119.04931	28.3
119.08575	4.3
121.10125	10.3
123.04443	1.8
123.08217	1.4
123.11671	8.7
131.08543	3.9
131.64471	1.4
133.10109	10.9
135.11658	10.6
137.09610	3.8
137.13222	2.9
145.10098	2.4
147.04384	100.0
147.11668	2.8
148.04733	2.5
149.13240	3.8
151.11180	4.5
159.11647	2.5
165.05455	16.5
169.12297	1.5
173.13271	2.0
195.13809	2.3
214.02957	1.3
215.17888	14.0
233.18980	8.4
251.20052	18.5
317.69653	1.6
403.10413	2.3
433.14771	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3312
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
53.03949	4.3
55.01871	4.3
55.05505	30.2
57.07069	23.9
62.23191	4.2
67.05497	26.3
69.07058	39.8
71.08628	23.6
79.05491	15.9
81.07050	100.0
83.04967	12.7
83.08626	22.4
85.10175	7.5
91.05460	6.8
93.07037	18.6
95.04977	8.4
95.08599	66.5
97.06522	9.4
97.10157	9.8
99.04426	11.2
105.07046	11.6
107.04937	5.7
107.08578	20.1
109.06509	9.6
109.10104	22.9
111.11681	7.1
111.81853	4.5
113.00014	8.6
113.05997	6.5
115.00450	6.7
119.08595	8.3
121.10144	13.3
123.08113	8.2
123.11707	8.9
125.05966	45.4
127.03917	13.7
131.08568	5.3
133.10124	10.2
135.08078	5.0
135.11673	9.3
137.05986	11.0
137.13217	27.6
139.03873	21.8
141.05437	14.4
145.10117	11.7
149.13237	6.2
151.07510	14.5
151.14803	7.7
153.05469	37.4
160.85884	5.0
161.09644	5.1
163.14749	7.5
169.02531	5.7
169.04927	11.1
171.11696	6.3
175.11150	4.8
189.09068	5.1
190.81711	4.2
191.10719	8.9
191.79759	4.5
193.08502	7.4
207.10048	5.1
211.09586	7.7
227.14265	8.6
227.18001	4.5
271.05960	18.4
279.19434	10.6
289.17819	4.9
345.06107	5.4
359.25668	5.0
366.17880	4.6
387.32739	5.2
397.30792	19.3
403.10300	14.5
415.31897	72.5
416.31989	5.3
433.14752	25.4
433.25085	7.6
433.32922	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.331
Annotation	1alpha,2beta,25-trihydroxycholecalciferol
Peak:m/z	Relative Intensity
55.01862	2.8
55.05502	35.6
57.07060	15.8
67.05492	21.5
69.03412	2.2
69.07058	47.5
69.15579	1.9
71.08619	6.2
79.05489	11.8
81.07047	43.5
83.04985	18.6
83.08607	25.4
83.66708	1.8
85.06540	2.5
85.10147	2.9
91.05436	11.0
93.07027	16.7
95.04935	3.3
95.08015	3.4
95.08592	49.3
97.06510	7.6
97.10165	13.1
99.04435	6.9
100.09440	2.1
105.07021	12.6
107.04907	2.6
107.08576	16.2
107.99592	1.7
109.06499	7.2
109.10142	19.6
111.04427	10.6
111.11703	4.6
113.00000	4.5
113.05987	5.2
119.08562	10.3
121.10108	11.8
123.08091	4.6
123.11716	15.0
125.05972	33.3
127.03923	11.6
130.90111	2.0
131.08531	5.4
133.10106	11.4
135.08003	4.0
135.11670	8.7
137.05963	12.7
137.09583	3.0
137.13231	8.4
139.03894	39.3
139.07538	2.5
141.05446	6.0
145.10063	7.4
147.08067	5.4
147.11655	3.8
149.09612	4.7
149.13260	6.2
151.07498	6.0
151.14754	2.6
153.04243	2.2
153.05452	34.3
157.10091	2.8
159.11629	5.0
161.09599	8.0
161.13255	3.5
163.07523	3.0
163.11166	4.2
163.14850	4.3
165.09085	7.9
167.06999	4.0
169.02606	2.9
169.04947	6.2
173.09628	4.7
175.11166	5.9
177.09061	5.2
177.12659	3.1
183.06575	2.1
189.09073	5.5
191.07030	2.7
191.10660	9.6
192.07791	2.6
193.08572	2.6
195.10181	6.0
199.11192	2.3
201.09097	7.9
203.10776	3.0
205.08504	3.4
207.10146	5.6
209.11690	6.4
211.14778	2.6
213.16426	2.3
217.12283	2.2
219.10138	4.6
233.11674	3.5
271.05954	6.3
277.17844	3.9
317.21167	2.4
331.22559	2.4
345.24124	2.8
363.13339	2.3
387.32224	3.7
397.30701	3.1
403.10065	8.4
408.02689	2.1
415.31995	100.0
416.32526	7.2
433.14865	8.6
433.33090	54.5
434.33209	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	434.1419
Annotation	Dysideaproline E
Peak:m/z	Relative Intensity
57.03439	0.6
69.03406	2.1
73.02913	2.8
74.17511	0.5
79.05479	2.1
81.03389	0.7
81.07000	0.6
85.02901	5.2
86.09706	0.7
87.04472	0.5
93.07005	0.6
97.02869	3.1
99.04420	0.5
105.07021	20.6
106.06544	1.4
107.04903	1.3
109.02882	0.9
115.03915	1.4
121.02829	2.2
126.04203	0.5
127.03893	1.3
131.07062	0.5
133.04942	1.6
134.05963	0.9
135.04376	0.8
137.05946	0.9
145.04906	2.1
145.06517	0.6
147.08020	0.6
152.07057	3.9
156.02231	0.5
161.05916	0.7
163.06035	1.3
219.10204	0.8
280.03708	0.5
287.05493	4.5
288.05820	11.2
289.05814	0.7
299.07330	3.5
317.08524	0.7
318.08780	1.1
393.76355	0.5
403.97879	0.6
406.56912	0.6
434.14102	100.0
435.14371	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	434.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59767	6.0
61.13353	6.2
67.05492	10.0
69.07060	6.5
70.38745	13.1
79.05479	33.6
80.34493	6.1
81.03364	5.4
91.05466	6.7
95.04961	16.8
107.08562	8.1
121.06479	7.4
123.04418	33.6
125.05953	16.4
129.57858	6.4
131.04970	6.9
133.02826	11.2
141.05449	21.0
149.02304	17.8
151.03879	15.9
151.07521	12.3
155.06871	6.3
161.05952	13.3
169.04922	33.6
181.04938	9.5
181.08495	8.3
207.06505	29.5
208.07278	81.3
209.07941	16.4
211.08482	7.3
221.07997	8.8
222.08839	7.2
223.05951	12.9
253.06970	19.7
266.07693	7.4
267.08444	7.1
287.13718	13.1
357.09445	8.8
371.11197	17.4
399.10574	60.9
417.11627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33751	3.3
67.05476	4.2
70.01176	8.1
71.10682	4.1
79.05483	31.6
81.03404	4.9
91.05492	4.3
93.05215	3.6
93.07017	4.7
95.04952	18.6
99.99014	3.5
105.03371	5.4
105.06977	4.3
109.02917	3.1
109.06528	4.0
121.06476	7.9
123.04420	42.0
125.05978	5.4
129.07001	4.0
131.05013	4.7
133.02850	14.7
137.05978	12.1
139.03906	6.3
141.05461	20.6
145.06496	7.8
149.02280	19.2
149.06006	6.4
151.03925	15.6
151.07523	9.1
155.03444	8.0
155.07045	4.8
157.06447	8.3
161.06000	4.0
167.07085	6.5
169.04945	29.4
170.05754	10.9
171.06572	6.2
173.06038	4.4
181.04951	7.5
181.08658	6.9
193.04968	3.9
201.05539	5.5
207.06480	30.2
208.07274	73.0
208.09177	4.7
209.08040	21.0
221.04515	3.8
221.08054	17.1
222.08905	10.1
223.05992	9.1
250.08621	3.6
253.07118	12.2
266.07904	6.9
267.08676	7.1
281.92355	3.4
287.13699	7.4
311.09103	4.6
339.08835	3.7
344.06882	3.9
353.10153	4.6
357.09723	9.8
371.11334	18.1
399.10690	56.2
417.11737	100.0
418.12131	4.7
434.17343	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	434.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01869	0.9
68.99786	1.0
69.48283	1.0
79.05479	2.1
81.03416	0.4
91.05463	1.3
93.06989	0.5
95.04949	1.2
103.05405	0.5
105.03382	0.4
107.04931	1.6
109.02859	1.0
115.37106	0.4
119.04938	2.5
120.05276	0.7
120.59081	0.4
121.06472	1.2
123.04422	2.6
127.03916	4.9
129.06952	0.7
131.04886	0.4
133.02823	2.0
137.05927	1.0
139.03853	0.5
144.05727	1.1
145.06451	0.4
147.04416	0.6
151.03886	1.1
152.04683	1.2
153.01810	3.1
153.05481	0.9
154.02127	1.9
155.03375	13.7
155.04643	0.7
157.06458	1.3
157.71666	0.5
161.05978	1.1
163.03900	1.5
163.07553	0.6
165.08917	0.4
167.07007	2.0
169.04961	1.5
170.05725	46.5
171.06105	1.1
175.07449	0.4
179.07048	0.5
181.04996	0.9
181.08545	3.0
189.09032	2.1
197.07979	0.6
207.06529	0.4
209.04425	5.7
220.07278	2.3
221.07899	0.6
223.05905	2.7
242.92662	0.4
243.06418	0.5
253.08540	0.6
255.10402	0.5
257.11554	0.6
265.09525	0.4
271.05972	42.9
272.06317	100.0
273.06665	2.4
283.09760	0.5
285.11145	0.9
304.08334	0.4
315.12146	0.5
317.13678	0.7
325.10733	0.9
334.23331	0.4
346.14023	0.6
348.05057	0.4
353.10162	1.6
360.15585	1.6
361.16391	1.3
371.11246	7.9
389.12207	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72015	0.4
55.01840	0.5
65.03915	0.8
67.05496	0.5
68.99784	1.2
69.08359	2.2
69.08762	1.1
79.05477	3.4
81.03396	0.8
83.04971	0.7
83.34905	0.5
85.02900	0.9
86.09685	0.7
91.05448	0.6
93.07060	0.6
95.04944	2.5
97.02852	1.1
99.39018	0.4
99.60748	0.5
103.05417	0.8
105.03365	1.8
105.07008	0.8
106.04137	0.7
107.04926	1.1
109.02853	1.2
111.04394	2.8
112.01586	0.5
115.05442	0.6
116.06230	0.7
117.07026	1.1
119.04944	1.1
121.02859	0.6
121.06487	1.5
123.04395	4.3
125.05937	0.5
127.03891	11.8
128.06239	0.5
129.06973	1.7
131.04959	0.6
131.09595	0.5
133.02827	11.8
133.05092	0.5
134.03615	0.7
135.04369	1.4
137.05994	0.7
137.55789	0.5
139.03879	8.2
140.04620	0.6
141.05464	1.4
144.05698	3.1
144.29697	0.5
145.06427	1.1
147.04384	0.6
149.05980	0.8
151.03882	2.8
152.04660	5.8
153.01796	0.8
153.05489	2.3
155.03368	30.2
155.04794	1.9
155.06024	0.9
157.06425	2.5
163.03888	1.8
169.04974	3.1
169.07263	3.0
170.05717	100.0
171.04924	0.7
171.06487	9.3
173.05956	1.6
175.07527	0.5
181.04915	2.1
183.04385	1.3
183.06490	0.9
185.05898	0.5
194.02103	0.9
201.05458	3.9
205.04926	0.5
207.06493	1.0
208.03700	1.0
209.04416	27.3
210.04753	0.7
220.07280	3.5
221.08029	0.6
223.05922	4.8
229.04985	3.0
231.06381	0.5
247.05914	1.1
249.07570	0.8
271.05966	5.0
272.06296	13.6
288.05792	1.2
325.10657	2.2
333.52603	0.6
353.10150	6.2
354.10669	0.5
371.11209	14.9
372.11462	0.6
389.12326	2.1
434.12668	0.6
434.28833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72008	0.8
55.01841	0.9
55.05483	1.0
56.03412	0.7
65.03931	1.5
67.05493	3.5
67.42155	0.7
67.65092	0.9
68.99783	0.9
69.03438	1.5
69.07066	1.8
71.04961	0.9
79.05482	14.2
81.03418	3.2
81.07048	5.8
83.04954	1.0
85.02871	1.4
91.05462	3.4
93.07047	3.7
95.04947	6.8
95.08599	2.3
97.02883	2.5
98.22699	2.2
101.25663	0.7
105.03369	1.9
105.07010	3.8
106.81162	0.7
107.04948	7.5
107.08588	3.2
109.02898	1.8
109.06487	2.4
109.10178	1.4
111.00799	2.1
115.05461	0.9
117.07011	2.1
119.04919	1.2
119.08579	2.3
121.02856	1.7
121.06495	1.0
121.10148	2.6
123.04422	13.9
123.11703	0.8
125.05982	2.4
125.09589	1.9
126.03082	4.3
127.11121	1.0
129.06979	1.7
131.04921	1.6
131.08534	2.9
133.02847	5.9
133.10092	2.0
135.11684	3.3
137.05988	3.7
139.03888	1.1
140.04683	0.8
141.05449	22.0
143.10664	1.6
145.06468	4.5
145.10088	3.0
147.04381	2.9
147.07951	1.4
149.02299	5.3
151.03865	6.3
151.07530	2.8
152.04486	0.9
153.05516	4.6
154.06178	1.8
155.03366	1.2
155.06999	1.2
157.06456	2.9
159.08029	5.1
159.11714	1.1
161.05966	3.2
161.13332	2.4
163.03908	3.3
164.04645	1.0
165.05446	3.4
167.07104	4.3
167.08316	1.0
169.04945	84.5
170.05544	2.5
175.07430	1.8
177.05458	1.2
179.07019	1.3
180.07814	1.3
181.04930	4.0
181.08575	1.7
182.05367	1.1
185.05963	2.0
187.07452	2.7
189.09009	0.9
191.06998	1.8
193.04947	25.6
194.05544	1.4
201.16338	2.2
203.07040	1.9
205.04810	1.2
205.08565	1.9
206.09322	1.3
207.06474	11.9
208.07283	100.0
209.07845	2.6
213.05392	1.0
219.17355	1.2
220.07281	2.7
221.08125	5.8
222.08817	9.1
223.05853	1.0
231.06506	8.4
245.08095	2.2
249.07458	1.0
251.05441	4.9
259.09656	1.6
266.07834	23.1
272.06549	1.0
287.09177	1.9
295.09674	1.0
297.07623	1.7
311.09326	0.9
315.08456	1.5
329.10193	4.4
349.12518	1.7
352.81644	1.0
355.11932	1.4
357.09656	51.9
358.09979	2.8
371.11099	7.8
373.12274	1.2
391.13617	9.5
399.10687	51.4
400.11020	3.0
404.14368	1.7
417.11777	5.2
434.16953	1.1
435.12619	25.2
435.18793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71781	1.5
55.01872	10.1
57.03426	22.5
59.04980	1.9
61.02917	18.5
61.76940	1.6
69.03419	40.8
70.06589	2.7
71.01351	4.4
71.04987	2.3
71.40837	1.8
72.04533	1.6
73.02910	100.0
79.05483	4.6
81.03421	6.6
84.04512	1.7
85.02896	99.5
86.03208	1.9
86.09704	1.9
87.04464	6.2
91.03939	3.2
95.05005	1.9
96.04493	2.4
97.02247	3.8
97.02882	76.8
99.04446	5.7
103.03945	3.0
104.05301	2.0
105.03383	21.4
109.02877	7.1
115.03916	40.6
123.04430	15.9
127.03909	35.9
131.04897	3.3
132.06549	2.5
133.04950	53.4
137.05952	5.3
143.03325	1.5
144.06572	5.9
145.04948	49.1
146.05286	2.0
150.07581	3.7
156.06622	2.5
161.05930	2.1
162.07637	4.0
163.06021	14.9
163.07503	5.6
180.08696	4.0
185.60400	1.8
189.06416	1.7
193.04971	3.3
199.06004	2.8
207.10214	2.3
217.07056	2.4
219.06485	2.5
223.06036	4.2
237.11316	2.4
241.06969	8.3
259.08173	4.7
267.08643	8.2
272.11472	2.0
277.09076	3.0
285.09818	2.0
287.95032	1.9
294.11539	1.9
295.10138	2.0
401.54822	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.04172	0.4
55.01865	4.5
57.03429	1.1
59.04990	1.9
60.05650	4.1
62.51200	0.5
64.77649	0.4
69.03426	9.0
71.04980	0.7
72.08157	1.0
73.02911	0.8
81.03424	3.9
85.02902	6.4
86.09691	1.3
87.04463	5.7
88.42582	0.5
89.06044	1.4
97.02883	14.7
98.23473	1.7
99.04440	1.1
103.03937	1.6
108.38840	0.5
109.02881	7.4
115.03923	100.0
116.04264	1.3
127.03906	4.9
132.79091	0.4
133.04959	6.6
139.03868	0.5
141.05447	2.1
145.04929	2.4
147.04419	0.5
151.03883	0.6
156.35120	0.5
157.04959	0.6
161.05850	0.5
161.63582	0.5
175.06134	0.6
186.62355	0.5
187.05994	0.9
199.06000	1.5
203.06978	0.9
207.06491	1.5
217.07047	2.2
231.06514	2.1
249.07539	4.5
259.08115	4.0
267.08560	0.6
429.06628	0.5
429.99240	0.5
434.10901	1.3
435.18741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	11.4
57.03428	24.7
60.14979	2.9
61.02927	19.0
65.17814	3.7
69.03423	41.4
69.43658	10.4
70.06567	6.5
71.01353	5.9
71.04984	6.2
72.08143	3.2
73.02909	100.0
79.05497	5.2
81.03399	9.2
85.02891	85.2
86.09713	5.4
87.04449	7.5
91.03973	4.6
95.04976	4.3
97.02879	70.6
98.23434	6.7
98.88215	3.6
99.04448	9.2
105.03381	30.1
109.02871	13.8
115.03929	39.7
123.04401	11.5
127.03905	35.2
133.04947	38.7
144.06606	4.7
145.04939	44.5
159.06526	6.5
162.07603	3.8
163.05969	15.1
180.08652	3.7
199.05984	4.3
207.09927	3.3
212.12492	3.6
223.05923	5.0
241.07047	6.9
259.08109	4.6
267.08630	18.4
272.11365	4.4
278.68008	3.6
285.09619	5.6
289.01187	3.2
357.71558	3.3
434.16144	5.6
434.24969	4.3
435.18063	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	434.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
54.00448	1.2
55.01849	1.4
57.03424	3.5
61.02925	6.0
69.03424	14.8
69.44407	5.7
71.01315	1.4
71.04974	2.5
73.02912	39.5
77.03921	2.3
78.89731	1.3
80.13695	1.1
81.03416	1.6
85.02895	11.6
86.03246	1.7
87.04474	2.1
89.06056	2.3
95.04963	4.5
97.02870	7.6
99.04460	1.5
103.05465	4.4
105.03381	100.0
106.03704	2.4
109.02821	2.6
115.03936	6.1
123.04424	4.1
124.07606	1.4
127.03884	14.2
128.04239	2.5
129.74925	1.3
131.04921	18.5
132.04401	7.8
133.04834	9.0
137.05899	2.7
138.06746	1.5
145.04951	5.5
148.05128	2.6
151.07549	1.4
163.07504	12.3
166.06250	2.6
177.75395	1.3
181.08566	5.0
231.06525	4.5
237.11139	3.2
249.07640	3.7
255.12231	8.7
267.08612	40.8
268.08978	1.9
435.18347	7.3
457.31833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59582	1.3
53.03952	1.2
55.01868	5.9
57.03433	18.1
59.04996	1.6
61.02917	14.1
64.02348	1.5
65.03916	1.4
67.85043	1.3
69.03423	35.5
70.80193	1.7
71.01348	4.6
71.04974	3.6
73.02910	79.5
79.05492	6.5
81.03400	6.8
84.08147	1.8
85.02895	100.0
86.09692	1.5
87.04472	4.0
91.03947	5.1
91.05481	1.9
95.04958	3.0
97.02882	59.2
99.04464	5.3
103.03931	3.8
105.07017	30.2
106.06522	7.7
107.04957	16.2
109.02844	7.0
115.03926	29.6
119.08574	1.3
121.02860	14.8
127.03899	33.2
127.04850	1.8
129.05486	1.3
133.04948	36.0
134.05969	7.2
135.04414	7.4
139.03838	1.7
145.04944	55.2
147.04427	1.4
147.08018	3.9
150.07616	4.7
152.07050	74.7
153.07349	2.3
154.04414	1.4
161.05965	3.1
163.06023	24.3
168.07430	1.8
181.05040	3.3
189.09123	2.0
193.05029	1.7
199.06068	1.5
201.09149	5.4
207.10184	3.5
219.10204	4.3
223.06000	4.9
241.07085	6.2
259.08038	8.7
259.21313	1.5
277.09210	2.5
285.13242	2.1
287.05472	3.3
288.05914	8.2
295.10251	1.9
404.13858	2.5
434.14069	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	10.5
69.03408	36.9
69.07071	55.1
79.05473	10.4
81.03402	38.5
81.07051	16.6
85.02889	100.0
87.00825	53.6
95.35753	9.4
97.02879	71.0
99.04491	16.2
105.01852	47.5
109.02880	31.5
123.11709	31.1
127.03907	72.8
145.04953	37.8
151.11183	58.9
159.02806	24.1
231.04980	12.3
262.01044	11.2
392.49460	11.8
399.16278	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
57.03419	6.8
57.25824	1.1
61.02911	5.1
69.03421	13.6
69.31193	5.7
70.06577	2.4
73.02907	35.2
81.03403	2.1
85.02889	15.5
86.09684	1.5
89.06005	1.2
91.05476	3.1
95.04974	5.2
97.02862	7.8
99.04459	1.5
103.05444	9.6
105.03376	100.0
106.03727	2.9
107.04965	1.3
109.02826	2.5
110.03637	2.8
115.03912	5.5
119.04912	5.0
121.06507	3.1
123.04421	8.3
124.05238	1.7
124.07586	2.9
127.03897	13.9
127.17757	1.4
128.04271	1.8
131.04904	39.3
132.04404	10.4
133.04817	9.0
137.05939	8.9
138.06749	6.1
145.04895	6.6
148.05136	4.6
151.07564	3.0
163.03920	1.4
163.07518	28.1
166.06230	5.3
175.07484	1.7
179.06993	2.2
181.08569	11.6
203.29434	1.2
207.10222	1.2
219.10258	2.0
231.06503	4.0
237.11209	8.2
249.07564	4.9
254.13057	1.9
255.12268	18.1
256.12933	1.2
266.33984	1.2
267.08578	41.2
267.11273	2.5
268.08765	1.7
434.16992	1.5
435.13458	1.9
435.18188	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12194	1.0
53.03944	2.8
55.01858	1.6
57.03434	30.6
61.02925	9.5
69.03063	2.1
69.03425	35.1
71.01352	3.4
73.02914	62.9
79.05496	2.9
81.03410	5.6
84.08088	1.7
85.02900	100.0
86.03223	1.4
87.04467	4.1
91.03946	5.1
94.04159	1.2
97.02889	51.4
99.04433	4.5
103.03900	1.3
105.07022	10.7
107.04971	3.9
109.02876	7.4
115.03922	34.9
117.07002	1.6
121.02859	4.7
127.03020	2.3
127.03906	29.8
129.06999	1.6
129.80661	1.2
132.06567	2.7
133.04941	10.7
133.06496	2.7
137.02292	1.3
137.05919	3.1
145.04948	47.6
146.05301	1.7
147.08040	2.3
150.07626	3.5
151.07526	2.1
153.01796	1.4
161.05952	11.5
161.09598	2.6
163.03934	2.4
163.06021	22.9
163.07373	1.5
167.07077	2.4
172.59657	1.2
175.07484	1.5
181.04984	5.2
182.05247	1.7
189.09094	7.9
193.04890	1.2
201.05437	1.5
201.09062	3.4
207.10161	9.4
212.79543	1.3
219.10168	2.0
223.06024	3.1
229.04932	1.6
233.08083	3.1
241.07054	4.1
249.11188	1.7
259.08179	2.8
285.13449	5.8
287.05429	6.0
288.05853	16.6
295.10233	2.2
303.04971	27.1
311.06686	1.2
434.22116	1.2
434.28079	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	435.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92555	1.1
55.05488	1.4
59.99458	1.1
64.52949	1.0
67.05501	2.2
68.15560	1.0
69.03446	1.2
79.05485	3.8
81.07047	2.7
83.04987	3.7
91.05491	1.7
93.07027	2.1
95.04972	2.0
95.08627	2.2
97.30780	1.2
98.22710	3.5
103.05475	1.4
105.07015	1.6
107.04939	2.4
107.08613	2.1
107.65827	1.1
119.08546	2.2
121.06479	2.5
121.10150	1.6
123.04440	1.6
133.02870	1.7
133.10126	1.8
135.11696	1.6
137.05913	1.3
141.05466	2.7
142.05829	2.3
145.06493	1.4
149.05956	2.0
151.03864	1.6
163.03871	5.8
167.07031	2.3
169.04955	12.8
170.05293	6.4
177.05507	1.3
177.83083	1.4
177.84599	1.3
181.04980	1.7
186.06538	2.0
187.07286	1.4
193.04996	2.9
194.05196	1.2
207.06406	1.9
208.07272	13.4
209.07681	12.1
222.08727	2.4
227.05170	2.4
266.07880	2.4
267.08215	3.1
271.04260	3.6
330.10544	1.3
349.12430	5.9
357.09644	1.3
358.09943	8.2
372.11435	1.5
373.12503	1.4
391.13586	47.5
392.13702	2.2
400.11050	9.8
400.94461	1.1
435.12595	100.0
436.13000	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	435.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32274	1.2
56.46847	1.2
57.03418	1.7
59.71716	1.1
65.07030	1.3
69.03394	1.5
69.74738	2.3
69.75104	2.9
70.06575	2.5
85.02914	1.5
97.02875	1.2
98.96117	1.2
98.97585	4.7
105.03371	1.8
105.07022	3.5
120.08109	1.8
127.03924	2.6
128.98586	1.6
131.49959	1.4
133.06458	7.9
137.05983	13.3
143.00117	1.3
151.37149	1.2
158.99699	1.4
165.09102	3.8
183.10191	2.8
222.29886	1.2
257.13831	5.8
265.86295	1.2
273.12265	2.7
303.14188	2.7
303.92892	1.2
333.05539	2.8
418.15555	1.5
435.12552	100.0
435.18375	35.9
436.12851	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	435.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74428	1.2
53.03952	2.6
55.16882	1.2
65.03932	8.8
67.05505	4.7
69.03424	6.1
69.07058	2.0
78.04701	1.8
78.50510	1.5
79.05495	12.2
81.03415	4.8
81.07055	2.4
82.04189	2.8
82.59423	1.3
85.02907	7.7
91.05471	8.2
93.03414	1.7
93.07051	1.9
95.04941	8.3
95.08609	1.3
97.06511	3.0
103.05466	2.1
105.04527	1.8
105.07024	3.6
106.04195	3.4
107.04948	20.2
109.02906	1.4
109.10188	3.0
110.03655	4.5
111.04436	1.6
111.06607	1.4
115.05463	4.1
117.07004	4.9
121.06495	5.1
123.04432	9.1
124.05191	4.5
125.06004	4.7
127.03909	3.3
128.06273	1.4
129.07025	3.7
131.04939	2.1
131.08545	3.4
133.06497	4.1
134.03670	1.8
137.06007	4.2
138.03134	4.4
139.07452	1.5
141.06999	3.8
144.05710	5.0
145.06476	9.6
147.04427	2.9
149.05980	4.2
151.03885	7.1
152.04642	2.0
153.05492	3.9
154.06116	1.7
155.04875	1.9
157.06522	2.2
159.08026	3.4
161.05974	5.6
167.07028	57.7
167.08447	2.9
168.07442	1.8
171.06578	7.0
172.05174	12.1
173.05930	5.1
175.07492	3.6
177.05429	4.3
181.04936	100.0
182.05327	3.7
185.06030	2.1
187.07553	10.2
189.05466	2.9
190.06290	2.0
191.07101	2.5
191.10638	2.8
193.04997	2.9
195.06526	3.2
200.04706	3.9
201.05458	7.1
201.16455	1.5
203.07048	2.3
205.08627	4.0
206.05672	2.5
209.08058	3.6
213.05469	2.2
217.08578	3.6
218.05704	8.1
219.06384	2.1
219.10068	3.6
221.08084	4.6
223.87221	1.5
224.07031	4.8
233.08078	55.0
234.08447	2.9
235.09647	3.1
245.08090	2.4
247.07579	2.5
251.09143	4.0
252.06557	3.8
254.04387	1.5
263.09146	12.8
263.37851	1.7
271.06039	2.6
273.06525	2.5
280.07300	1.8
289.05969	3.8
307.09259	1.5
321.07419	1.7
339.12347	1.8
355.11575	3.0
367.11472	3.6
381.13400	3.2
387.14365	8.4
399.14389	4.4
417.15369	26.7
418.15765	2.8
435.20401	2.2
435.26968	15.7
435.76993	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	435.1647
Annotation	Lophodiol B
Peak:m/z	Relative Intensity
51.02378	2.7
51.25230	2.1
52.43236	1.8
65.03930	7.2
67.05499	2.1
71.20264	2.1
79.05491	17.4
81.03383	2.1
81.07031	3.0
82.04195	3.1
85.02889	3.8
88.45024	1.7
91.05471	15.0
91.83044	1.7
93.03395	2.8
93.07033	5.8
95.04935	8.4
103.05463	6.0
105.07015	7.8
106.04164	2.2
107.04939	38.5
109.06499	3.3
110.03642	2.6
115.05441	12.0
117.06991	14.4
119.04939	3.7
119.08546	3.0
121.06491	9.2
123.04402	6.0
124.05203	5.3
125.05950	5.7
127.03889	3.4
128.06235	5.5
129.07016	16.1
131.04906	9.2
131.08537	6.6
132.05717	2.4
133.02776	2.3
133.06438	11.0
135.07990	3.4
137.05956	8.9
138.03122	3.7
141.07047	3.1
144.05681	4.1
145.06464	33.9
147.04382	4.9
147.08028	2.8
148.05183	2.1
149.05991	3.8
151.03885	2.7
151.07533	5.5
152.04616	3.8
152.06110	2.4
153.05444	10.7
155.04892	2.5
155.06010	5.8
157.06465	13.4
159.04300	2.5
159.08046	4.6
160.05103	3.3
161.05948	27.5
161.09622	3.3
161.60487	2.0
162.06635	2.6
163.07529	10.5
165.05513	2.9
165.06963	3.3
165.09091	4.5
166.02621	2.1
166.06250	4.0
167.07014	100.0
167.08272	3.6
168.07373	3.4
171.06506	3.4
172.05156	13.3
173.05954	14.6
174.02844	2.2
174.06665	5.2
175.07509	10.7
176.08226	1.9
177.05476	3.4
177.09077	3.7
179.07100	4.5
179.08536	2.7
181.04936	79.2
181.08549	39.3
181.10091	3.2
182.05231	3.0
182.07259	4.3
184.05109	3.0
185.05905	2.3
187.07495	7.3
189.05452	11.5
189.09076	31.6
190.06227	6.7
190.07761	3.0
191.06995	2.2
191.10530	2.7
193.08498	3.0
195.08022	5.1
197.06029	1.9
197.09628	3.9
200.04642	6.2
201.05472	12.2
203.06966	4.0
205.08551	19.5
206.05739	7.4
206.95602	2.1
207.08258	2.1
207.10138	7.1
210.06718	2.4
211.07516	3.6
217.08525	4.4
218.05658	16.1
219.06351	5.7
219.08212	3.5
219.10103	4.3
221.05998	4.0
221.07796	13.4
223.07437	4.9
225.09077	8.1
227.06978	4.9
233.08041	98.0
234.08537	4.3
235.07391	5.6
235.09631	4.8
237.05315	2.3
237.09068	2.5
239.06963	3.8
241.08603	5.3
245.08025	5.0
247.07396	3.9
250.06003	3.0
251.06873	3.2
251.08888	10.2
252.07716	3.4
253.08536	10.1
255.10188	3.1
257.11722	6.0
263.09213	15.9
265.08466	3.7
267.10086	2.0
268.07394	3.2
269.08078	4.8
270.05276	2.6
277.08493	2.2
279.10114	5.0
280.07208	2.5
283.09644	6.6
283.13202	4.1
285.08231	2.6
285.11053	11.6
292.07346	3.0
295.09616	2.6
299.12860	2.2
307.09457	3.7
309.07407	2.9
311.12674	4.5
315.12137	7.1
316.12952	3.0
317.13800	11.2
323.09027	2.4
329.13995	2.5
331.07999	6.2
331.14923	2.2
338.11484	2.3
343.15179	7.7
346.10330	3.0
346.14139	6.2
355.11624	2.9
359.14847	5.0
360.15598	25.0
361.16306	16.6
367.11658	6.5
368.12094	2.1
371.14999	3.8
384.12030	3.6
387.14206	7.0
399.14279	5.7
417.15372	98.5
418.15613	7.7
435.20538	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1647
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03925	1.5
55.01866	1.6
57.03418	1.2
61.02899	0.8
65.03931	7.9
65.39285	0.8
67.05478	3.9
69.03423	5.9
70.06574	1.0
70.39598	2.1
71.04980	1.5
77.03916	1.2
78.04711	1.3
79.05487	8.1
80.49422	0.9
81.03417	4.8
81.07043	3.3
82.04169	3.8
83.04971	1.7
83.38272	0.7
85.02902	8.1
87.00845	1.2
91.05478	4.5
93.03397	2.3
93.07037	2.1
95.04963	5.0
97.02868	2.4
97.06517	2.5
100.11228	2.2
103.05458	1.0
105.04516	2.5
105.07014	3.3
107.04941	17.6
107.08611	1.9
108.02092	2.2
108.65010	0.9
109.02857	1.7
109.06515	1.5
109.10161	1.0
110.03631	4.0
110.86346	0.9
111.04384	2.2
115.05408	5.4
116.06222	1.3
117.07021	5.0
119.04955	1.1
119.08558	1.4
119.86324	0.9
120.02108	1.1
122.03631	1.5
123.00746	1.2
123.04417	4.3
124.05194	3.4
125.05967	3.8
127.03916	4.8
128.06194	2.0
129.06960	2.4
131.04912	3.0
131.08525	2.9
133.06480	3.0
135.11694	1.1
137.05954	2.6
138.03093	2.5
141.06943	2.7
144.05702	4.5
145.06490	8.9
145.10150	1.0
146.03568	0.9
147.04395	1.7
147.08099	1.5
149.05920	1.2
151.03899	1.7
151.07561	0.9
152.04651	2.5
153.05435	5.9
153.12708	4.1
155.04869	0.9
155.05956	1.8
155.07071	1.9
157.06448	3.1
159.08112	4.5
160.05196	1.4
161.05943	6.7
161.13190	0.9
163.03879	2.1
166.02672	1.1
167.07021	48.5
168.07367	1.1
171.06526	9.5
172.05167	12.1
173.05980	6.7
174.06772	1.4
175.03897	0.9
175.07527	4.0
177.05496	1.1
177.09099	1.0
181.04933	100.0
182.05280	2.9
185.05957	1.4
187.07541	8.6
189.05498	3.0
190.06235	1.8
191.07033	1.6
191.10628	3.2
195.06529	2.5
200.04678	3.8
201.05403	6.7
202.07747	0.9
205.08539	5.9
206.05707	4.1
207.06326	1.5
208.08609	1.1
217.08549	1.4
218.05617	8.0
219.08241	1.3
219.10127	4.4
221.08102	7.1
231.06448	1.1
233.08052	59.6
234.08475	2.4
235.07542	1.1
235.09651	2.2
245.08020	2.8
247.07307	1.2
251.09116	3.5
261.09061	0.8
262.06326	1.3
263.06766	0.9
263.09152	11.2
277.08356	1.0
279.06314	1.5
280.07065	1.5
292.07211	1.0
293.07971	1.7
295.09656	1.3
307.09378	1.5
311.12845	1.7
323.09070	2.2
327.12262	1.1
339.12250	2.0
355.11786	2.6
367.11685	2.7
371.14856	1.9
372.12112	1.2
381.13156	3.2
387.14297	8.9
399.14291	4.1
405.15027	1.0
417.15411	24.5
418.15964	1.4
435.19742	1.1
435.33347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
53.79761	1.0
55.01865	2.1
55.22356	1.0
64.99898	0.9
65.03931	7.5
67.05486	4.6
69.03408	4.8
69.07029	1.2
70.24502	2.3
72.97318	1.0
79.05479	10.2
81.03400	4.2
81.07043	3.9
82.04174	1.6
85.02885	6.9
91.05466	4.6
93.03387	2.5
95.04967	5.9
97.06520	2.2
103.05446	1.1
105.07009	2.6
106.04147	2.3
107.04939	16.9
108.02063	2.1
109.02856	1.4
109.06451	1.4
109.10120	1.8
110.03631	3.2
115.05437	3.8
116.06244	0.9
117.07005	4.0
119.04887	1.5
121.06462	2.1
121.10121	1.8
123.04424	5.5
123.11732	1.8
124.05201	3.6
125.05964	4.5
127.03899	4.4
128.06187	1.5
129.06966	4.0
131.04903	2.0
131.08551	2.5
133.06450	3.1
136.07576	1.1
137.05975	3.7
138.03078	2.0
141.06960	3.0
144.05692	4.1
145.06474	8.4
147.04417	3.5
147.07961	1.8
149.05923	1.8
151.03882	7.0
152.04677	1.8
153.05426	4.0
155.04912	1.2
155.05975	2.3
157.06474	3.5
159.04282	1.3
159.07997	4.3
161.06015	5.4
167.07013	54.6
171.06548	6.5
172.05171	12.6
173.05989	5.2
175.07492	3.2
177.05357	1.6
179.07051	1.6
181.04924	100.0
182.05261	3.2
187.07478	8.7
189.05388	3.1
189.08884	1.2
190.06216	1.3
191.07103	2.0
191.10649	2.2
193.04881	1.1
195.06523	2.6
200.04633	4.6
201.05507	6.0
201.07014	1.2
205.08585	3.6
205.18094	1.1
206.05698	3.4
209.08063	2.4
213.05463	2.2
217.08583	3.6
218.05717	8.5
219.06459	2.2
219.10022	5.3
221.07957	6.5
224.06918	2.4
231.06490	1.8
233.08043	57.0
234.08453	2.4
235.09549	2.5
245.08176	2.2
250.06284	1.1
251.09169	3.2
263.09152	12.5
265.08298	1.4
271.05826	1.7
273.06302	1.3
273.14749	2.6
279.10025	1.4
284.09158	2.2
287.05499	2.1
289.05942	2.2
293.07941	1.3
295.09766	1.9
307.09586	2.4
309.07571	1.5
339.12152	2.0
355.11722	3.6
367.11536	3.1
371.15103	1.2
381.13251	2.8
387.14163	8.1
399.14334	4.6
417.15405	27.7
418.15564	1.4
435.26633	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	435.1648
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
52.59316	0.8
53.03955	0.8
55.01871	1.5
55.05518	4.0
59.59301	0.9
65.03938	8.4
67.05502	2.9
69.03429	4.6
69.07051	1.0
71.04977	1.0
71.41438	0.7
72.08147	1.1
77.03935	0.9
79.05492	9.5
81.03397	4.9
81.07057	1.8
82.04197	2.5
83.04968	7.8
83.08611	2.3
85.02902	5.7
86.09688	10.0
89.03925	1.6
91.05485	4.7
92.72477	0.8
93.03384	1.6
93.07037	0.8
95.04979	5.7
97.02914	1.1
97.06536	2.0
100.11263	5.6
103.05462	1.6
105.04492	0.8
105.07037	1.9
106.04208	1.8
106.04833	0.9
107.04941	20.1
107.08586	1.0
108.02066	0.9
109.06471	1.4
110.03650	3.0
111.04415	3.7
115.05423	4.6
117.03371	2.8
117.07018	4.7
119.05016	0.7
119.08562	0.9
120.02004	1.0
120.08098	1.0
121.02835	1.8
121.06492	2.5
121.07321	0.8
123.00802	1.8
123.04419	4.1
124.05178	4.7
125.06017	3.9
126.09174	0.9
126.91066	0.7
127.03900	5.5
127.68959	0.8
128.06215	2.0
129.06990	2.7
131.04921	2.5
131.08536	2.6
133.06467	2.5
135.04396	4.5
137.05978	3.7
138.03139	2.0
141.07022	1.0
142.02666	0.9
143.04884	1.5
143.11839	1.6
144.05739	5.8
145.02812	2.2
145.06500	9.2
147.04422	1.0
147.07990	1.8
149.05994	2.3
151.03908	1.7
152.04720	1.1
152.07112	1.0
152.79935	0.8
153.05461	4.2
155.04890	1.2
155.06035	2.2
157.06476	4.0
159.08025	3.5
161.05965	6.4
161.09537	1.0
163.03888	26.0
165.05481	1.0
166.02625	1.2
167.07021	52.5
168.07379	1.6
169.07622	1.4
171.06566	6.6
172.05174	14.1
173.05972	6.8
175.07506	4.5
177.05469	1.5
179.06944	1.0
181.04933	100.0
182.05307	2.4
182.15442	2.2
187.03954	0.8
187.07507	9.0
189.05452	3.9
189.09204	1.0
190.06253	2.0
191.07013	2.0
191.08685	0.8
191.10687	1.5
193.04916	1.1
193.08698	0.9
195.06450	2.2
200.04637	4.4
201.05382	7.1
202.06073	1.2
203.06943	1.2
205.08537	5.7
206.05762	2.8
207.10152	2.2
209.08096	2.4
209.16473	2.5
210.14888	1.5
211.06017	1.5
213.05504	0.9
217.08629	2.3
218.05724	9.5
219.06473	3.1
219.10088	4.7
221.08014	7.5
221.09671	0.8
223.07663	1.3
226.19124	2.4
231.06454	1.9
233.08063	79.0
234.08414	3.5
235.07532	1.0
235.09734	1.9
245.08084	2.5
246.15317	0.9
247.07504	1.2
251.09193	3.3
252.07787	0.8
263.06778	1.4
263.09152	12.7
264.07611	1.2
273.07217	1.3
277.08563	1.5
279.06348	0.9
279.10025	1.1
288.05804	1.6
289.05997	1.6
291.06360	1.4
292.07285	1.3
293.07846	1.1
307.09500	1.2
309.07523	1.4
323.08942	1.7
327.12070	1.3
331.07611	1.5
335.09128	1.1
336.22729	1.7
339.12241	2.6
344.12558	0.9
346.10565	1.0
352.09558	1.0
355.11765	4.8
367.11716	3.3
371.14877	2.1
372.11697	0.9
381.13223	1.8
384.11755	1.2
387.14368	10.6
399.09784	1.3
399.14349	5.6
417.15424	48.1
418.15741	3.5
435.12946	3.0
435.19754	2.1
435.25171	1.6
435.33069	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	435.1835
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
57.03410	0.4
58.50080	0.3
62.72203	0.3
66.18851	0.3
67.05503	0.4
69.32986	1.5
70.06574	0.6
71.04979	0.8
76.25680	0.3
77.99919	0.3
81.03408	0.6
85.02886	1.3
97.02956	0.4
98.22651	0.6
129.05508	0.4
130.05734	0.5
135.11664	0.5
140.03189	0.3
154.87007	0.3
186.93774	0.3
249.12442	0.3
255.11250	0.5
273.12405	0.4
303.14056	8.3
421.77826	0.4
435.18317	100.0
436.18616	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	435.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01846	2.2
57.03428	2.4
57.19664	1.8
65.03951	2.3
65.52086	1.6
66.87679	1.6
69.03420	2.1
69.38353	5.7
69.38760	2.5
72.65393	1.4
78.04703	1.7
79.05475	11.5
81.03400	2.1
81.07047	2.5
91.05468	21.1
93.07027	11.0
95.04956	11.1
103.05450	10.1
105.04503	2.1
105.07015	11.4
106.04160	1.8
107.04936	31.9
107.08573	2.3
109.06495	2.6
110.03642	2.7
111.04414	2.7
115.05447	4.1
117.07020	5.7
119.04901	7.6
119.08587	2.5
120.05682	2.3
121.06487	21.9
122.03649	2.3
123.04408	10.3
123.08079	1.8
124.05199	5.6
125.05956	3.5
128.06223	6.9
129.06992	27.2
130.07288	2.1
131.04892	8.2
131.08543	11.0
133.02895	2.0
133.06482	4.7
135.04398	4.2
135.08018	8.9
136.05167	1.7
137.05962	22.4
138.03171	1.8
138.06613	2.1
141.06929	2.0
143.04951	2.2
144.05759	2.5
145.05423	1.5
145.06477	7.1
146.07207	2.5
147.04384	5.1
147.08022	2.2
148.05215	3.8
149.05956	8.3
149.09660	1.9
150.06731	3.8
151.03886	5.2
151.07523	16.5
152.04701	4.0
152.06139	1.4
153.05476	18.6
153.06770	2.1
155.07059	2.1
157.06448	19.3
157.43813	1.4
159.08032	3.9
160.05101	1.9
161.05959	34.6
161.09549	9.0
162.06635	3.0
163.07509	23.9
165.05608	3.7
165.07024	10.0
165.09120	7.1
166.06256	11.0
166.07671	2.7
167.07030	82.1
167.08496	7.9
168.07353	1.6
169.01125	1.6
170.05783	2.6
171.08002	1.6
173.06000	3.5
174.06677	12.7
175.07513	10.4
177.05536	1.8
177.06973	2.9
177.09050	8.0
178.07785	2.8
179.07010	5.3
179.08560	4.7
179.10699	1.7
181.04982	5.7
181.06677	3.6
181.08560	100.0
182.07297	4.0
182.08842	2.1
183.08134	2.6
187.07396	3.4
189.09070	83.2
190.09505	2.1
191.07004	2.4
191.08607	6.2
191.10487	2.0
193.06482	5.0
193.08559	2.6
194.07286	4.5
195.07990	12.4
195.09789	2.0
197.05916	3.3
197.09637	8.6
198.06590	1.6
199.07553	3.9
203.10635	2.2
207.08066	7.3
207.10172	15.8
208.05153	2.5
208.08797	4.9
209.05991	3.3
209.09624	3.0
210.06769	5.2
211.07536	6.3
212.08363	1.9
213.09015	2.8
218.07231	2.1
219.08049	5.1
221.05965	5.7
221.09529	2.9
222.06738	4.1
223.07605	10.1
223.11215	3.6
224.08203	3.9
225.05467	2.3
225.09042	12.8
226.06282	1.8
227.06978	7.2
229.12279	1.9
235.07590	7.2
236.08359	6.0
237.05383	3.8
237.09077	5.4
238.06343	2.2
239.06975	6.5
239.10539	3.6
240.07675	7.7
241.08530	8.5
242.09154	2.5
247.07571	4.4
249.05623	2.0
249.08966	2.6
250.09976	2.0
251.06990	7.9
251.10713	7.4
252.07774	1.9
253.08565	16.6
254.09311	1.6
255.06477	6.3
255.10109	9.6
256.10782	1.9
257.08176	1.4
257.09091	1.9
257.11636	13.8
259.09525	2.1
265.08588	4.8
267.10117	5.8
268.07159	4.3
268.10898	1.6
269.08105	11.8
270.08823	6.0
271.06009	11.4
271.09271	3.1
271.13034	2.8
272.03812	2.0
272.06256	8.9
273.06537	16.6
279.10110	6.9
281.08099	3.7
283.09619	18.8
283.13181	7.5
284.10379	2.1
285.07852	3.8
285.11124	31.6
287.09048	1.9
295.09528	2.5
296.10345	2.6
297.11221	6.1
299.09341	3.3
299.12720	5.7
300.09988	3.4
301.10696	2.5
302.11447	8.2
303.12375	2.3
311.12766	11.6
314.11328	2.4
315.12228	19.6
316.13004	4.8
317.13782	26.8
327.12299	2.6
329.13757	6.0
331.15329	4.4
343.15350	18.5
346.14053	15.3
359.14807	9.8
360.15588	56.6
361.16370	46.2
362.16687	2.8
417.14944	2.0
435.20712	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	435.201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95419	1.5
55.01860	2.6
55.05507	2.6
57.03421	2.9
57.75568	1.6
67.05491	4.6
69.03421	6.4
69.07088	2.0
69.26166	6.8
70.06581	1.9
71.04973	3.1
76.74392	1.7
77.03941	2.7
78.04711	3.4
79.05483	17.3
81.03387	3.5
81.07047	5.6
83.04967	3.8
85.02884	4.4
91.05471	30.3
92.06282	1.9
93.07040	14.6
95.04945	13.1
95.08582	4.5
97.02908	3.9
97.06525	4.1
100.56870	1.9
103.05454	11.6
105.03419	2.5
105.04466	2.6
105.07011	15.2
107.04936	41.3
107.08558	5.0
109.02872	3.0
109.06543	3.1
109.10143	3.4
111.04440	3.5
115.05455	7.9
116.04948	1.9
116.06199	3.0
117.07008	10.4
118.04174	2.3
119.04933	6.0
119.08566	5.3
120.05785	2.3
120.08074	1.9
121.06487	21.1
121.10159	1.9
123.04418	8.6
123.08041	2.7
124.05204	7.7
125.05982	5.0
127.03902	5.7
128.06227	11.1
129.06992	30.1
131.04909	11.6
131.08554	11.8
133.02846	4.2
133.06471	8.2
133.10143	3.7
135.04391	4.8
135.08049	7.7
135.11630	2.2
137.05957	19.5
137.09567	2.0
138.06779	1.8
141.06975	1.7
143.04889	4.8
143.08554	3.6
145.04962	2.2
145.06465	14.9
147.04395	6.0
147.07997	3.5
147.54057	2.0
148.05133	3.5
149.05978	10.6
151.03903	6.7
151.07501	27.2
152.04697	3.8
152.06195	3.7
153.05457	17.8
153.06798	4.2
153.12733	3.5
154.06230	2.3
154.07596	2.6
155.06013	5.2
156.05553	2.1
157.06458	23.2
159.04382	2.0
159.08040	4.0
159.11702	2.4
161.05965	33.1
161.09593	6.0
163.07527	22.3
165.05545	3.9
165.06978	6.5
165.09097	10.2
166.06245	11.7
166.07523	3.3
167.07030	97.8
167.08464	7.1
169.06445	2.1
169.10114	2.5
171.06596	3.5
171.08063	3.6
171.13850	2.2
172.05220	2.9
173.06006	8.9
174.06703	13.8
175.07542	15.4
177.09052	9.0
178.07716	2.9
179.07011	6.8
179.08530	4.6
180.07771	2.1
181.04994	27.5
181.06514	4.5
181.06784	3.0
181.08566	100.0
182.07216	6.1
183.07964	3.9
185.06027	3.3
187.07571	3.8
189.05443	6.1
189.09070	79.0
191.06960	4.0
191.08519	4.7
191.10646	4.0
193.06583	3.8
193.08568	3.7
194.07219	6.6
195.06480	2.7
195.08044	13.2
195.09789	2.8
197.05954	4.7
197.09590	14.3
201.05434	5.0
203.10579	2.1
205.08578	4.6
207.08200	3.6
207.10150	14.1
208.08755	5.4
209.09616	2.4
210.06721	6.3
211.07504	7.6
211.11346	1.9
212.08354	2.9
213.09181	2.4
217.08563	3.6
218.05597	4.3
219.08061	5.2
219.10052	3.0
221.05904	6.9
221.08072	7.5
222.06682	3.6
223.07484	11.1
223.11105	4.6
224.08177	2.8
225.05557	3.1
225.09044	15.8
227.07028	8.3
229.12123	2.8
233.07985	32.9
234.06522	2.4
235.07477	5.2
236.08282	6.2
237.05501	3.3
237.09045	6.2
238.06094	3.2
238.09793	2.6
239.06987	5.9
239.10536	4.2
240.07799	6.6
241.08559	8.8
242.09361	2.4
247.07605	4.8
251.06961	4.0
251.10840	4.4
252.07761	3.6
253.08577	18.1
254.09349	2.9
255.06479	3.6
255.10054	9.0
257.08011	2.9
257.11679	13.5
259.09616	3.4
261.08795	2.3
263.09177	3.9
264.07776	3.4
265.08557	5.1
266.09406	2.0
267.10141	4.6
268.07214	4.3
269.08078	10.7
270.05151	1.8
270.08691	4.2
271.13168	2.2
279.10022	9.6
281.08102	3.3
281.11984	2.2
283.09601	16.2
283.13202	8.9
284.10236	3.3
285.08005	1.9
285.11154	33.5
295.09628	4.4
296.10526	2.4
297.11118	7.0
299.09213	3.8
299.12680	6.3
302.11450	8.4
305.13632	3.7
311.12735	12.6
313.10785	3.2
315.12201	19.9
316.12933	5.5
317.13794	26.7
318.14160	2.6
327.12210	2.5
328.13052	2.8
329.13751	7.6
331.07758	2.5
331.15393	7.9
343.15253	21.9
346.14175	12.8
359.14719	9.1
360.15604	52.2
361.16373	42.9
387.14307	2.5
399.14258	2.7
417.15280	33.2
418.15536	3.4
435.20422	8.9
435.25931	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.4
68.99799	0.8
69.03410	1.8
69.05965	3.9
69.06372	1.4
70.06585	0.8
73.02895	2.6
79.05498	1.4
81.03450	0.7
85.02896	4.2
91.05479	4.2
93.03397	1.1
95.04964	1.9
97.02872	2.1
105.07030	2.1
106.54952	0.6
107.04943	4.4
109.02863	0.9
111.00826	1.9
111.04446	1.1
115.03928	1.4
115.05402	0.9
117.07017	1.3
119.04932	2.2
121.02847	1.6
121.06473	2.0
121.07311	0.7
122.03590	1.4
123.04441	0.9
125.06035	0.6
127.03900	1.2
129.06998	2.8
131.04918	1.8
131.08537	1.6
133.06435	0.8
135.08011	1.1
137.02351	4.2
137.05963	13.9
145.04971	2.0
145.06396	1.0
146.05399	1.1
146.07253	1.5
147.04401	1.1
148.05185	1.3
149.02245	0.7
149.05901	1.0
151.07541	10.2
153.01820	4.6
157.06473	1.7
161.05966	38.0
161.09592	8.2
162.06285	1.0
162.34943	0.6
163.03868	1.5
163.06264	0.6
163.07512	3.3
164.60056	0.6
165.01822	2.2
167.07028	3.4
167.08458	1.1
174.06750	1.8
175.07591	3.3
175.82964	0.6
177.09061	1.3
181.04941	3.5
183.02844	1.1
189.09079	23.8
190.09439	1.0
191.07037	0.9
193.10175	0.7
195.02887	1.1
195.08006	1.4
200.04684	0.8
201.05479	3.1
207.10141	35.1
208.10503	1.7
211.09607	1.1
219.10117	1.1
221.06009	0.9
227.07103	0.7
227.10574	1.5
229.04912	7.0
233.07991	3.3
247.05829	0.8
253.08682	1.4
253.12201	0.8
255.10170	1.8
257.04459	2.5
267.10083	0.7
274.04553	0.9
285.03946	1.8
285.11133	0.9
287.12769	3.7
288.05804	1.0
289.06015	1.2
303.04956	100.0
304.05325	5.7
307.61423	0.7
313.14349	5.6
330.14450	0.8
331.15280	3.0
405.19138	1.0
417.15439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78503	1.3
57.03423	1.3
57.17323	1.2
70.58689	2.3
77.62280	1.3
79.05502	2.2
85.02908	3.7
91.05469	7.7
94.04185	1.7
95.04944	2.1
103.05466	2.8
105.07008	5.9
107.04949	5.9
107.59791	1.2
109.06458	1.4
115.05405	1.7
117.06967	1.2
119.04929	5.5
119.78993	1.3
120.87076	1.7
120.92330	1.3
121.02824	1.4
121.06496	5.1
122.03592	1.9
123.04408	2.2
125.05982	1.6
129.06996	6.3
131.04935	4.8
131.08598	1.6
133.06477	2.5
135.07976	1.8
137.05957	32.5
144.05696	2.1
145.06485	2.1
146.03575	1.6
146.07231	4.3
147.04335	2.4
148.05157	4.0
149.05991	3.7
151.07523	21.8
157.06482	4.8
158.99077	1.4
161.05963	100.0
161.09595	22.4
162.06554	3.0
163.07529	6.2
165.01779	1.3
167.07051	2.1
174.06763	6.6
175.07559	8.4
177.09111	2.0
179.81343	1.6
181.04961	3.3
189.09088	58.4
190.09404	2.0
191.07018	1.7
193.10109	1.5
194.44998	1.4
195.02797	3.1
195.08052	4.1
207.10144	87.5
208.10493	3.3
219.10185	2.9
221.09578	2.5
223.07555	1.9
225.09106	1.9
227.10608	4.8
233.07858	1.5
253.08586	2.7
253.12164	2.7
255.10191	5.1
273.16513	2.4
281.11542	2.2
285.07672	1.9
285.11188	4.0
287.05429	1.7
287.12759	11.2
288.05734	2.3
289.06039	5.6
299.12762	1.9
313.14389	12.2
330.14713	2.5
331.15305	11.0
351.08624	1.5
405.19089	3.1
435.16489	2.0
435.21826	11.5
435.28815	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	435.2504
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05505	22.6
57.03432	11.6
57.07069	7.9
67.05499	64.5
69.07061	24.8
71.19331	6.3
79.05491	18.4
81.07052	65.8
83.08611	14.4
91.05466	10.0
93.07034	22.6
95.08591	52.0
97.06538	7.4
97.10165	11.0
98.98456	100.0
105.07023	11.0
107.08595	12.8
109.06514	15.7
109.10138	17.0
119.08609	13.5
123.11720	9.5
126.00353	6.2
135.11702	13.5
147.11702	6.2
149.13222	6.5
155.01039	63.3
161.13268	6.9
173.02081	5.8
175.14841	8.0
182.31117	5.8
233.72528	6.4
237.02910	5.7
244.72420	5.6
245.22731	12.6
263.23651	42.4
306.77121	5.4
317.13684	5.9
337.27368	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2502
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03930	3.6
55.05506	18.4
57.03428	7.9
57.07060	6.4
60.50294	2.1
67.05492	51.1
69.07073	20.6
69.46712	11.1
71.08613	3.9
79.05473	15.9
81.07047	52.7
83.08619	15.7
91.05454	7.4
93.07024	16.6
95.04968	3.3
95.08594	49.7
97.06509	5.9
97.10155	8.2
98.98451	66.5
105.07024	7.3
107.08589	10.7
109.06501	19.6
109.10144	18.6
111.08031	2.9
116.99491	3.4
119.08562	6.9
121.10121	10.8
123.08092	5.3
123.11713	7.2
133.10123	7.8
135.11664	4.4
147.11601	4.5
149.13245	4.5
151.48856	2.8
155.01013	22.6
173.02068	11.4
175.14812	5.1
189.16187	3.2
195.63651	2.6
245.22633	8.2
263.23703	21.2
317.14059	2.4
337.27301	100.0
338.27637	5.1
424.85806	2.6
435.28976	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	435.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58342	2.7
55.05509	23.7
57.03423	8.3
57.07086	5.9
63.47581	2.3
65.03936	2.5
67.05498	54.8
69.07063	28.8
70.92842	2.9
79.05495	13.8
81.07050	48.6
83.05014	2.6
83.08619	15.1
91.05496	13.9
93.07050	16.0
95.08595	52.8
95.09199	3.2
97.06528	6.0
97.10165	8.1
98.98458	70.4
99.08138	3.6
105.07037	8.6
107.08606	12.0
109.10142	18.2
111.11719	2.9
116.99524	3.2
119.08582	5.9
121.10144	7.2
123.11710	8.4
129.33549	3.0
133.10141	8.4
135.11633	3.4
137.13243	2.9
147.11722	4.7
149.13200	6.2
151.84201	2.6
153.05460	4.6
155.00989	16.7
161.13272	4.9
163.14810	3.5
166.91747	2.4
173.02106	10.4
175.14833	3.8
205.17159	2.3
245.22644	7.9
263.23679	19.8
313.00204	2.9
335.02490	2.7
337.27319	100.0
338.27597	4.7
417.33102	3.9
435.34195	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	435.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01863	2.2
55.05507	13.6
57.03436	3.7
57.07066	5.0
59.04993	0.9
65.03936	0.8
67.05499	14.2
69.03435	1.5
69.07061	23.8
70.07396	0.6
71.08618	1.9
79.05483	6.3
81.07047	28.9
83.04968	9.4
83.08609	9.4
85.06538	2.2
91.05462	10.4
93.07032	35.2
94.07384	0.8
94.26791	0.7
95.04965	5.6
95.08591	31.6
96.08936	0.7
97.06528	1.3
97.10136	3.0
104.80149	0.8
105.04491	1.2
105.07005	8.5
106.07301	0.7
107.04933	1.5
107.07893	0.5
107.08575	14.3
109.06502	30.2
109.10139	11.7
110.06801	0.8
111.08064	14.5
111.11707	2.9
117.06954	0.8
119.04918	1.5
119.08566	13.5
121.06496	5.3
121.10122	6.0
123.08030	3.1
123.11703	7.2
125.06010	1.2
125.09611	1.5
127.07524	1.6
131.08551	1.4
133.06511	1.0
133.10123	2.9
135.08014	1.7
135.11670	2.9
137.09595	91.5
137.13211	2.6
138.09955	2.8
139.07524	18.5
139.08543	1.2
142.07788	1.7
145.10081	1.4
147.11662	10.0
148.70003	0.7
149.09656	1.0
149.13231	5.6
151.07561	1.5
151.11148	8.1
153.09064	4.6
157.08571	3.3
157.10100	6.1
159.11671	1.4
161.09595	1.3
161.13271	1.0
163.03888	1.5
163.11153	2.7
163.14790	1.4
165.09077	1.0
165.12766	6.8
167.10637	1.2
175.11159	13.6
177.12630	1.5
179.10626	3.7
181.12202	15.1
181.13779	0.9
184.32446	0.7
193.12216	72.2
194.12567	3.1
195.13780	42.6
196.14110	1.3
203.10793	1.0
205.12172	3.1
205.19545	1.7
207.06436	1.2
207.13747	0.9
209.11700	8.8
211.13260	100.0
212.13583	4.8
217.12163	1.6
219.13741	1.6
219.21005	0.7
221.11665	1.4
223.13229	1.1
245.15695	0.7
259.17041	0.8
261.18356	0.8
261.25793	0.7
273.18536	2.8
389.33896	1.7
399.32428	4.6
417.33612	11.0
418.33817	1.1
435.34543	1.6
436.30264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3467
Annotation	(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid
Peak:m/z	Relative Intensity
53.03954	1.2
55.01857	5.3
55.05503	20.4
56.68658	1.1
57.03419	4.7
57.07067	55.6
65.03952	1.7
67.05498	29.5
69.03396	1.2
69.07058	24.9
69.07431	1.4
69.53046	4.8
71.08621	76.5
72.08957	1.8
73.06567	1.3
77.00894	2.9
79.05482	13.6
81.07042	49.6
81.24480	1.1
82.07369	1.9
83.04971	19.5
83.08615	11.5
85.01369	1.3
85.06530	4.5
86.09705	1.8
91.05463	11.2
93.06435	2.3
93.07029	45.0
95.01921	1.8
95.04935	5.7
95.08591	62.4
96.08964	1.8
97.06485	2.9
97.10141	7.8
98.98449	10.7
101.00859	4.0
103.02439	3.9
105.04519	1.9
105.07013	10.3
107.08571	23.9
107.94323	1.3
109.06483	6.2
109.10134	21.6
111.08059	19.1
111.11707	2.6
113.13237	2.9
115.02431	2.2
117.07005	2.9
119.01902	18.3
119.08562	10.1
120.01965	1.7
121.03464	1.6
121.06490	5.2
121.10110	9.6
123.08052	8.7
123.11682	21.0
125.09607	2.5
127.07552	5.0
129.07054	1.5
131.01874	1.7
131.08606	2.9
133.03447	16.0
133.10114	12.8
134.03546	1.2
135.08049	10.4
135.11667	10.1
137.02957	4.2
137.05957	2.2
137.09605	6.2
137.13243	4.9
139.07521	17.6
139.11165	1.5
141.12717	2.0
145.03470	9.1
145.10117	4.1
147.07980	1.2
147.11639	6.7
149.09608	2.6
149.13246	6.5
151.04501	5.6
151.11166	10.7
151.14777	2.7
153.09038	8.3
155.01013	5.7
156.09262	2.0
157.03470	2.7
157.08649	1.6
157.10130	1.6
159.11655	5.5
161.09642	2.6
161.13231	5.8
163.04492	4.2
163.11156	4.3
163.14812	5.0
165.09181	3.1
165.12721	3.2
167.10690	3.4
171.11691	4.7
173.13240	1.5
175.04494	89.9
175.11153	11.8
175.14819	1.8
176.04694	4.2
177.12671	1.7
179.10646	2.7
181.12167	16.4
187.14790	2.7
189.12733	17.7
191.10674	2.0
193.05550	3.1
193.12285	3.7
195.13808	4.9
197.19020	2.9
199.11179	1.4
201.16437	1.5
205.12244	3.2
205.19516	2.2
207.13782	13.6
209.11688	9.0
211.20615	3.2
215.17958	1.4
217.19550	2.8
219.13869	1.3
220.80969	1.1
221.15382	2.2
223.20587	5.0
225.16420	2.1
225.22057	6.9
243.17415	3.4
249.18576	2.4
259.20547	4.2
261.18500	5.7
263.23752	4.9
273.18491	1.3
277.21573	28.0
279.26871	3.3
287.20016	2.3
301.20029	29.7
301.25314	1.4
302.20328	3.8
307.26254	1.3
319.21133	35.0
320.21335	6.3
337.22202	14.7
337.27286	5.5
338.22430	1.4
342.22873	5.0
343.29742	2.7
371.32947	6.2
373.34607	4.3
375.23798	4.6
381.31583	4.3
389.33960	1.7
393.69189	1.4
399.32495	30.4
400.32861	4.4
417.33566	38.4
418.33911	3.7
429.04599	1.4
435.26147	8.7
435.34662	100.0
436.35007	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	436.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03936	0.6
53.24813	0.5
54.60328	0.4
55.01864	0.6
55.05500	0.5
56.44406	0.4
57.03423	0.7
61.02906	0.8
65.03919	1.1
67.05488	1.5
69.03429	2.2
69.07061	0.6
71.04992	0.8
77.03929	0.6
79.05479	1.2
80.10170	0.4
81.03413	1.2
81.07046	1.6
83.04948	0.5
85.02892	8.1
87.04475	0.6
91.03970	0.5
91.05478	0.6
92.05011	3.5
93.07034	1.6
95.04964	1.7
95.08601	1.4
97.02888	2.5
97.06527	0.5
97.53278	0.4
99.04456	0.5
105.03387	8.1
105.04462	0.7
105.07048	1.2
106.06544	0.8
106.09608	0.4
107.04937	0.4
107.08573	1.4
108.99470	0.4
109.02886	0.9
109.05238	2.3
109.10129	1.2
110.06028	66.2
111.04453	0.8
111.06387	1.2
120.04456	0.6
121.10128	0.7
122.05974	0.6
127.03880	2.0
131.08461	0.6
133.02834	100.0
133.10130	0.8
134.03166	2.2
134.06013	1.7
135.08064	0.4
135.11638	0.4
137.05951	3.5
137.09642	0.5
145.04932	1.4
145.10071	0.9
146.05966	0.5
148.03937	1.7
152.07031	1.6
157.10158	0.4
162.79924	0.4
164.53238	0.4
165.05458	36.5
166.05809	1.0
180.06578	1.8
187.14626	0.5
189.16313	0.7
191.04189	0.4
191.49129	0.4
192.55573	0.4
196.07594	1.5
197.05968	2.3
214.08621	3.2
224.07164	0.9
242.08070	4.2
254.10149	1.2
256.09665	1.8
272.11237	5.4
274.10681	10.8
275.11023	0.6
436.17834	0.6
437.21262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01852	0.9
57.03427	1.7
60.65272	0.5
61.02912	1.4
62.06075	3.8
69.03421	3.7
69.30287	1.6
69.30670	0.8
70.06583	5.6
71.04956	0.5
72.08141	0.7
73.02911	9.2
74.06058	0.5
79.05470	0.9
84.08134	2.7
85.02896	8.0
86.09676	0.7
91.05421	0.5
95.04938	1.1
96.04530	0.6
97.02878	5.1
98.97578	0.7
99.04428	0.5
103.03921	0.5
105.04507	0.7
107.04939	100.0
108.05267	1.8
109.02850	0.6
111.04424	0.6
112.08711	1.3
115.03899	2.8
116.98601	0.6
123.04381	0.8
127.03931	2.4
129.10236	0.5
133.04951	2.3
137.05963	0.5
145.04973	3.0
147.04459	0.6
147.85291	0.5
150.50264	0.5
163.05962	1.2
173.13245	0.9
183.68906	0.5
188.07272	0.5
223.07648	0.6
241.07126	1.1
259.08099	2.4
276.72421	0.5
295.10281	1.1
436.18890	9.6
436.27060	0.8
437.14279	9.6
437.19794	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	436.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01855	1.4
57.03421	2.6
61.02907	2.7
69.03418	4.3
69.88706	0.8
70.06580	3.4
71.44300	1.2
73.02906	12.4
73.88125	0.7
77.47816	0.7
79.05481	3.2
81.03369	1.3
85.02892	9.8
91.03920	1.1
95.04967	2.2
97.02874	7.2
99.04467	1.0
105.07070	0.9
107.04940	100.0
108.05282	2.4
109.02890	1.8
109.06489	1.0
110.78805	0.7
112.08710	1.1
115.03889	4.1
121.06518	1.1
127.03874	3.3
130.06519	2.2
131.04915	1.9
133.04045	0.7
133.04958	3.4
133.06508	0.8
133.27208	0.7
145.04927	3.6
145.06453	1.2
145.15651	0.8
149.05972	2.7
157.07564	7.8
161.05960	1.1
163.05983	1.3
165.12894	0.8
173.06000	2.0
175.07436	0.8
191.07031	3.1
192.07062	0.8
203.06990	2.0
221.08092	2.3
228.11287	1.4
256.10831	7.4
257.34195	1.0
259.08148	1.0
436.18326	1.4
436.26419	1.1
437.19495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18515	10.5
57.07065	13.3
63.58797	11.9
64.91403	10.1
64.91823	11.0
67.05505	16.0
69.03427	29.8
69.07057	26.9
71.04972	21.1
73.22461	9.8
79.05492	21.2
79.95737	13.3
81.03417	26.1
81.06632	11.9
81.07052	63.6
83.08615	12.0
85.02891	37.8
85.67935	11.4
87.00819	14.2
91.05480	25.7
93.07044	96.8
95.08584	32.2
97.02890	30.0
97.06538	50.6
99.04442	31.8
105.01859	17.8
105.07008	24.4
107.08572	57.0
109.02888	18.7
109.10176	17.2
127.03892	43.1
135.11690	92.9
137.13164	20.1
137.89528	12.3
153.12729	100.0
167.06953	17.4
175.07758	12.2
193.08565	12.8
211.09837	12.8
231.04964	21.8
249.06027	14.5
270.51984	11.2
272.06403	13.8
274.06598	18.1
284.09430	11.2
437.21469	36.8
457.63254	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	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.5
53.65002	6.4
55.01881	11.2
55.05507	6.3
57.03418	12.1
57.07084	7.5
61.02904	5.6
61.59721	4.8
68.99783	8.8
69.03420	47.3
69.07059	14.6
69.27344	7.3
69.27655	28.8
71.04993	21.9
72.94770	5.2
73.02926	7.4
79.05481	11.1
81.03398	31.5
81.07040	38.7
83.08637	9.3
85.02905	100.0
87.00819	57.9
91.05467	15.1
93.07050	26.0
95.04953	7.2
95.08614	12.5
97.02880	69.9
99.04409	11.0
105.01859	55.3
105.07037	15.2
107.07948	6.2
107.08585	30.6
109.02892	30.6
109.06512	10.2
109.10159	16.4
119.08585	16.2
121.06491	7.7
123.04433	10.1
123.11773	7.7
127.03902	72.7
129.01840	6.8
131.08588	5.5
133.10176	5.9
135.11703	39.4
135.12595	7.3
145.04968	28.2
145.10118	6.4
147.02954	5.5
153.12726	94.8
159.02899	9.9
159.11571	6.9
161.09479	5.3
163.03929	6.3
173.09586	11.1
175.11076	5.0
177.12796	15.6
181.04530	7.2
195.13806	12.4
231.05046	10.6
243.13760	7.8
256.34647	5.4
261.14838	13.8
308.81638	5.3
332.03632	5.0
365.15753	9.4
366.97495	6.0
383.16873	9.9
457.79459	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.0
55.05511	5.2
65.03915	6.5
67.05473	5.2
69.03422	27.0
69.07065	6.6
69.26694	23.1
71.04987	20.7
79.05475	12.0
81.03404	18.5
81.07056	24.5
85.02894	62.0
87.00819	30.5
91.05492	12.6
93.07024	20.1
95.04961	7.6
95.08627	12.9
97.02881	33.4
99.04416	7.9
105.01861	30.7
107.04941	12.4
107.08576	17.4
108.05281	6.8
108.57686	7.0
109.02867	14.6
109.06469	6.7
109.10127	16.6
119.08595	9.3
121.10089	8.1
127.03878	37.4
135.11681	25.9
145.04956	12.6
145.10121	7.1
153.12715	100.0
167.06944	28.1
168.07408	17.7
171.09454	5.7
177.12711	10.4
181.04962	58.6
182.05334	44.7
195.13823	5.8
218.05876	5.6
233.08086	19.4
234.08473	37.8
261.14749	6.5
264.09702	6.2
383.17303	7.6
418.15652	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60181	1.3
56.30201	1.3
57.03429	5.2
65.74391	1.5
69.03423	1.6
69.51980	1.4
69.54655	6.0
71.04993	4.5
75.04459	2.2
77.38733	1.5
79.05500	1.5
85.02895	8.7
90.25618	1.5
100.43369	1.4
105.07021	26.5
106.64069	1.7
108.83413	1.4
113.02983	1.3
116.07175	1.3
130.21523	1.4
133.06473	54.4
137.05960	100.0
138.06345	2.6
145.04958	2.4
163.07568	3.4
165.09100	36.3
175.07550	3.0
181.08522	1.5
183.10155	27.4
221.11681	3.4
239.12750	4.2
257.13824	48.0
284.05417	1.9
436.13226	3.1
436.18405	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	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09048	1.4
57.03421	5.0
70.19067	4.5
75.04469	2.7
79.05485	3.3
85.02882	4.3
97.02855	1.9
103.05426	3.1
105.06350	1.9
105.07021	27.7
105.07729	2.2
107.04897	1.7
122.03606	2.0
133.06473	58.1
137.05957	100.0
138.06293	3.1
159.61627	1.4
163.07524	5.0
165.09093	35.1
175.07524	3.2
181.08560	2.3
183.10141	28.9
192.76907	1.4
203.10620	1.6
221.11708	3.1
239.12759	3.0
248.41003	1.3
257.13791	42.6
258.14035	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1439
Annotation	Pterosupin
Peak:m/z	Relative Intensity
53.03932	0.4
55.01864	1.2
68.99775	0.6
69.03420	0.6
70.56337	0.6
70.83179	0.4
77.03913	0.5
79.05470	1.2
81.03431	0.4
85.02888	1.8
91.05467	0.3
93.07010	0.4
95.04961	2.1
97.02869	1.3
101.96954	0.3
103.03899	0.6
105.04477	0.5
105.06997	0.6
107.04935	100.0
108.05233	1.7
109.02847	1.4
119.04923	0.6
121.02844	0.4
121.06509	0.7
123.04406	1.4
127.03908	1.2
131.04892	0.9
132.84151	0.3
133.12335	0.3
135.04408	0.5
137.05948	2.6
139.03893	2.4
145.06487	0.5
147.04384	1.2
149.06003	1.8
151.03899	4.3
163.03935	1.9
165.05429	1.2
167.07060	0.4
169.04958	0.6
173.05939	1.0
175.03925	0.8
179.06987	2.1
181.04924	4.6
187.03894	0.5
189.05441	1.1
191.03401	0.4
193.04938	7.6
193.06569	0.6
193.08504	0.5
205.04951	2.2
207.06516	1.8
211.05989	4.6
211.09544	0.6
217.04964	0.8
222.59427	0.3
223.05847	0.4
229.04964	1.4
231.06601	0.5
235.05971	5.4
241.04916	1.1
247.05933	2.9
259.06036	3.0
275.09067	1.9
277.07089	1.8
287.00006	0.4
287.09067	4.9
295.07983	0.7
299.09073	3.9
317.10080	4.6
335.08917	0.5
341.10110	7.0
342.10349	0.6
353.10114	6.2
354.10419	0.6
365.10226	3.0
371.10965	0.4
383.11215	1.7
401.12186	0.8
437.21411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05009	0.5
69.66270	0.9
70.06583	100.0
71.06909	1.5
87.60593	0.2
91.05475	0.6
98.97594	0.7
110.07179	0.6
112.08714	30.3
113.09081	0.5
116.98631	0.3
119.04935	1.9
120.08033	0.2
128.70419	0.2
131.00171	0.4
147.04385	6.5
156.07713	0.6
164.07092	0.5
191.02306	0.3
194.57419	0.2
200.55499	0.2
201.05447	0.2
209.81673	0.2
219.01811	0.3
250.73238	0.2
276.09674	0.3
316.88425	0.3
326.12277	0.2
437.15164	1.0
437.20267	29.1
438.20490	2.6
438.28476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13416	0.2
53.40700	0.1
66.81237	0.2
68.05018	0.6
70.06583	100.0
71.06911	1.3
71.47121	0.2
72.08139	0.5
77.72866	0.2
78.49432	0.2
84.08125	0.4
84.82742	0.2
85.02914	0.3
85.07684	0.4
91.05476	0.6
95.06092	0.3
112.08713	32.0
113.09054	0.6
119.04932	1.1
125.09583	0.2
136.07597	0.3
137.05865	0.2
147.04385	3.9
163.03882	0.6
164.07043	0.8
266.88693	0.2
275.05569	0.2
384.68109	0.2
437.10291	0.4
437.20212	12.0
438.20291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78425	2.3
55.05511	3.5
56.80289	2.1
60.78178	2.9
66.78629	2.3
67.05492	5.9
67.93810	2.3
69.07059	5.5
79.05485	5.1
81.07039	14.3
82.93969	2.4
83.08600	2.7
85.09230	2.3
89.66402	2.9
91.05460	6.0
93.07022	8.5
95.08595	16.0
105.07016	10.2
107.04737	3.5
107.08594	12.0
109.10144	12.8
119.08566	15.5
121.10144	10.7
131.08540	4.3
132.99944	2.5
133.10144	8.4
135.11688	3.0
143.08495	2.6
143.79982	2.7
145.10101	9.3
147.11699	9.7
149.13284	4.4
157.10129	3.9
159.11673	7.0
161.13252	3.7
169.10106	2.6
171.11620	3.4
173.13316	5.0
175.14844	8.1
177.16364	5.0
185.04309	5.2
189.16391	11.7
201.16364	8.8
203.17958	12.3
215.17976	7.7
243.21117	3.3
257.15067	30.3
275.16147	100.0
276.16647	6.3
353.15671	5.6
367.02374	2.6
391.33722	6.9
437.21408	90.5
437.34048	26.1
438.21582	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	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	1.8
55.05502	11.2
57.07062	3.7
65.03941	2.8
67.05492	21.4
69.07054	18.2
69.11066	11.9
69.78498	1.8
70.06580	2.2
71.08620	2.1
79.05486	14.4
81.03365	2.3
81.07042	39.5
83.08601	9.1
91.05449	12.3
93.07018	30.2
95.04934	2.8
95.08588	57.8
97.10155	4.1
97.58755	1.8
98.23457	2.3
105.07014	39.6
107.04943	1.9
107.08569	42.1
109.10136	40.2
111.88573	1.8
117.06974	9.1
118.97158	1.8
119.08555	55.2
120.08879	1.7
121.10120	32.7
123.11662	11.2
129.06969	4.3
131.08540	19.2
133.06569	1.6
133.10104	42.7
135.08101	1.9
135.11691	15.2
137.13196	2.9
143.08549	5.5
145.10091	32.0
147.11652	28.4
149.02316	3.7
149.13217	15.3
149.60722	1.9
153.09050	2.7
155.08516	4.6
157.10136	11.1
159.11665	30.8
160.12042	2.6
161.13228	19.4
163.03856	2.9
163.14798	10.2
169.10060	2.6
170.10825	2.0
171.11713	6.7
173.13222	23.3
173.67911	1.6
174.13707	2.1
175.14775	26.3
177.16356	13.6
183.11734	5.4
183.67268	1.4
185.13232	7.7
186.23692	1.7
187.14758	10.9
189.16342	48.0
191.17935	6.3
193.04938	2.9
197.13268	4.1
199.06015	1.6
199.14815	7.2
201.16342	46.5
201.18111	3.3
202.16725	1.8
203.14360	1.8
203.17909	34.7
203.19792	2.1
207.17558	2.1
209.13278	2.9
211.14877	4.8
213.16342	8.2
215.17928	41.2
216.18240	2.2
217.19481	4.5
221.15384	2.8
225.16327	3.8
227.17885	6.7
228.23351	2.7
229.19458	9.1
231.17331	2.0
235.16824	4.4
237.07607	3.6
237.16399	3.4
239.17900	6.8
241.19508	5.9
243.21075	4.6
247.16908	5.3
253.19438	5.2
255.20988	4.1
259.16809	2.3
261.18515	2.3
262.43713	1.7
265.19522	1.8
267.20926	5.7
273.18533	1.9
275.20023	5.1
278.12805	1.8
279.20871	3.4
281.22687	7.2
283.24197	3.1
285.18341	2.9
287.19894	3.1
295.24060	2.7
301.21695	2.1
311.19806	2.3
325.21530	2.8
327.23239	2.9
338.70807	2.2
349.28693	2.3
381.27582	2.4
388.95648	1.8
391.33493	31.9
392.33847	3.5
409.34579	1.9
419.32532	2.2
437.26474	4.9
437.34033	100.0
438.28363	11.9
438.34372	8.2
457.29367	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72351	1.9
50.75485	1.4
53.03947	3.1
55.05506	11.0
57.07070	3.4
63.94798	1.5
67.05504	22.6
69.03400	2.6
69.07061	18.8
69.17380	9.9
70.06593	1.8
79.05487	12.2
81.07044	41.0
83.08615	6.7
85.02889	3.2
88.57658	1.5
91.05460	18.8
93.07034	30.3
93.07584	2.0
95.04986	5.8
95.08595	63.1
95.09212	3.2
97.02893	1.7
97.06535	3.3
97.10179	3.9
103.05505	1.8
105.07014	40.7
107.08583	49.9
108.08958	2.6
109.02893	3.0
109.06541	3.2
109.10146	46.1
110.10520	2.6
115.05424	1.5
117.07024	6.4
119.08568	61.6
121.06475	1.7
121.10143	34.5
123.08085	1.9
123.11672	11.5
125.09599	1.8
129.07028	3.9
131.08543	17.7
131.09273	1.6
133.10118	40.4
135.11682	16.6
137.09605	4.5
137.13254	5.7
143.08516	8.7
144.09300	2.9
145.10101	34.1
145.11189	2.3
146.10629	2.1
147.11682	31.3
149.09615	1.8
149.13257	14.8
153.09065	1.7
155.08551	3.7
157.10112	7.9
158.10892	2.3
159.11673	34.0
160.12086	1.9
161.09613	3.6
161.13239	19.4
163.14856	11.0
163.68932	1.6
165.09126	2.9
169.10130	5.3
171.11742	7.1
173.13240	24.3
175.14806	27.1
177.16357	14.6
183.11687	4.4
185.13319	5.8
187.14763	14.7
189.16359	45.4
189.17978	2.7
190.16759	2.2
191.17993	7.6
195.11705	2.5
197.13292	4.3
199.14845	6.3
201.16367	42.5
201.18080	2.8
203.17923	39.2
204.18350	2.0
207.17542	2.0
209.13361	3.2
211.14774	3.0
213.16481	5.8
215.17935	41.3
216.18254	2.6
217.19533	4.8
223.14874	2.1
225.16411	2.8
227.17975	7.5
229.19481	8.3
235.17056	4.5
239.18019	6.5
241.19534	3.6
243.21075	4.8
247.16829	3.4
249.18582	3.2
251.18202	2.5
253.19585	3.4
255.21075	3.4
257.19208	2.1
261.18497	3.3
267.20981	2.1
279.21179	3.0
281.22696	5.1
285.18604	2.1
287.20148	3.7
295.24319	3.2
301.21210	1.8
313.12161	2.4
321.25864	3.0
325.21658	2.1
327.23285	2.7
335.27496	2.5
381.27933	2.2
391.33557	30.0
392.34082	2.9
419.32993	2.3
437.10751	4.6
437.21603	23.0
437.34244	100.0
438.21741	1.7
438.29196	4.2
438.34689	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	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58762	1.2
54.03188	1.3
55.05499	13.9
57.07064	3.5
57.43078	1.5
67.05497	20.8
69.03406	1.6
69.07063	21.1
69.30855	7.0
71.04979	1.3
71.08618	1.8
79.05477	14.7
81.07049	44.3
83.04966	1.4
83.08607	9.0
85.02888	3.6
91.05463	16.4
93.06447	1.8
93.07034	34.7
95.04947	3.1
95.08594	64.1
96.94719	1.2
97.02879	2.1
97.10168	2.8
105.07016	39.2
107.08575	46.5
109.06499	1.7
109.10139	40.9
111.08054	1.3
117.07007	4.2
119.08563	56.9
121.10129	34.4
123.11684	11.2
128.06258	1.5
129.06979	3.6
131.08546	19.1
133.10107	42.0
134.10469	1.6
135.11665	20.7
137.13239	7.3
143.08543	7.0
144.09250	2.3
145.10110	31.0
146.10638	1.6
147.11655	32.6
149.13239	18.1
153.09084	2.2
155.08534	3.2
157.10103	8.7
159.11671	34.5
160.12105	1.9
161.13240	20.0
163.03876	3.4
163.07468	1.7
163.14803	10.1
169.10065	4.2
171.11670	8.8
173.13234	23.2
175.14810	24.3
177.16327	15.1
183.11659	7.9
185.13216	7.5
187.14810	16.3
189.16356	51.8
191.17996	6.4
197.13190	4.3
199.14853	7.7
201.16362	44.0
203.17912	38.9
204.18306	1.5
211.14815	4.3
213.16348	8.9
215.17923	38.2
217.19522	6.4
219.13699	1.3
225.16385	5.2
227.17903	6.7
229.19427	8.0
233.15500	3.0
235.17010	2.8
237.16484	1.8
239.17894	4.3
241.19521	7.0
243.20995	6.7
245.19032	1.5
247.16907	5.4
249.18500	1.8
251.18027	1.9
253.19554	4.1
255.21124	4.9
257.19135	1.8
259.16916	4.5
259.20523	2.1
261.18399	2.9
265.19470	2.7
267.21094	5.0
269.22598	1.6
271.17075	2.2
275.05515	3.3
279.21188	3.1
281.22586	4.3
283.24063	2.5
285.18448	3.0
287.20224	2.4
295.24106	3.6
299.20071	3.6
301.21658	1.9
309.25659	1.8
313.21643	3.8
321.25583	2.5
325.21533	2.1
327.23209	2.7
329.24747	2.5
333.55096	1.3
335.27353	1.8
381.27536	1.4
391.33545	25.4
419.33249	2.7
425.43069	1.3
437.21216	5.7
437.34082	100.0
438.34402	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	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25748	2.1
55.05496	12.7
57.07073	2.9
63.79272	1.8
67.05497	24.1
69.03400	3.0
69.07064	19.4
69.88292	1.7
77.15992	1.9
77.16464	1.7
79.05488	17.9
81.07049	32.0
83.08610	8.3
85.02921	2.6
91.05453	13.2
93.07040	33.5
95.04951	3.2
95.08594	59.9
97.06508	3.8
97.10155	5.0
105.07017	41.3
107.08575	45.4
109.02851	2.3
109.06493	1.9
109.10139	43.1
111.04424	2.5
117.06979	6.3
119.08568	62.5
121.10126	31.2
122.10464	1.9
123.11707	12.8
129.06995	3.1
131.08549	17.4
133.10110	46.9
135.11667	16.6
137.09592	2.2
137.13245	2.0
143.08536	5.9
145.10106	31.6
147.11664	27.8
149.13248	12.9
151.04802	3.0
151.14796	2.6
153.09177	2.9
155.08514	3.0
157.10127	8.2
159.11674	34.5
160.12431	1.7
161.13222	20.5
163.14777	11.8
165.09026	3.0
169.10146	3.3
171.11649	7.2
173.13234	29.9
175.14803	29.1
177.16333	16.2
183.11697	3.9
185.13261	6.0
187.14821	14.2
189.16360	48.9
190.16779	2.4
191.17966	5.7
199.14760	4.7
201.16356	47.5
202.16666	3.6
203.17926	46.6
205.19501	2.9
207.17361	2.8
211.14749	3.6
213.16362	8.4
215.17926	38.7
216.18079	3.8
217.19458	6.8
221.15358	2.9
223.14853	3.3
225.16286	4.9
227.17827	4.2
229.19528	9.0
233.15265	2.0
235.16873	4.3
239.17914	4.8
241.19481	6.7
243.20979	4.7
247.16965	4.8
249.18401	2.4
253.19507	4.8
255.21005	4.8
261.18616	4.5
267.21017	4.7
273.18411	2.6
279.21143	2.3
281.22626	3.9
285.18530	2.3
287.20023	3.9
290.20782	3.5
307.24063	2.0
313.21713	2.9
325.21439	2.2
327.22964	3.3
391.33606	29.1
392.33731	2.2
419.32895	2.4
437.08624	2.9
437.21164	13.1
437.26184	27.3
437.34015	100.0
438.21439	2.1
438.27887	10.4
438.34302	11.9
446.41330	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3627
Annotation	5beta-cholestan-3alpha,7alpha,12alpha,24(S)-tetrol
Peak:m/z	Relative Intensity
55.01872	1.7
55.05510	23.1
57.07075	8.0
58.90504	1.5
67.05504	18.7
69.06702	2.3
69.07068	35.3
69.31423	3.0
69.31827	6.5
71.08627	5.9
75.75377	1.7
75.76389	1.4
79.05498	8.2
79.17518	1.6
81.07059	30.8
83.04981	25.6
83.08621	19.2
85.10182	3.6
89.06055	2.0
91.05486	8.3
91.17045	1.5
91.35457	1.8
92.16909	1.6
93.07052	23.3
95.04932	4.0
95.08608	34.2
95.51318	1.5
97.10162	11.7
98.23462	3.6
105.07043	9.1
107.08592	13.7
109.06510	10.2
109.10163	17.8
111.08073	10.3
111.11714	3.9
114.89508	1.6
119.08601	7.8
121.01674	3.2
121.06528	3.8
121.10135	7.3
123.08066	8.3
123.11700	9.0
125.05970	3.2
131.08604	3.7
133.10133	6.7
135.03230	3.7
135.08084	6.7
135.11694	4.0
137.05971	36.4
137.09628	3.9
137.13239	3.1
139.07547	14.3
145.10118	4.5
147.11685	6.2
149.09546	2.1
151.07559	8.1
151.11160	3.7
153.09100	6.0
155.07010	6.1
157.10158	2.1
159.11710	5.6
161.09605	5.6
161.13284	3.4
162.43736	1.5
163.11252	3.8
165.09149	10.1
165.12790	2.7
167.10751	3.0
171.11664	2.9
175.11169	3.8
176.04745	3.1
177.04227	14.2
177.12796	3.5
177.16373	1.6
178.02058	3.0
179.10652	6.2
179.14316	2.2
181.12262	9.2
185.13358	1.6
187.11214	3.4
189.12721	4.5
191.14232	1.7
193.12288	5.2
195.13850	7.5
205.12263	5.2
207.13829	4.1
209.11862	2.9
219.13911	3.4
275.20038	2.1
299.97314	1.9
303.19989	9.6
321.20813	2.3
373.34335	2.6
383.32907	4.3
399.22427	1.7
401.34134	37.8
402.34561	2.2
419.35193	100.0
420.35324	7.1
437.19684	10.1
437.30490	2.0
437.35895	7.1
438.28778	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2847
Annotation	Nudicaulidine
Peak:m/z	Relative Intensity
55.05497	0.4
56.05021	1.1
58.06594	5.1
59.04983	0.3
62.29068	0.4
67.05492	0.9
69.03414	0.3
70.06595	0.5
71.04985	1.4
71.06929	0.4
71.43061	0.3
71.69157	0.3
72.08149	3.0
75.04478	0.7
76.13207	0.4
79.05494	0.7
81.07045	0.7
82.06581	0.5
84.08134	1.1
85.02899	0.9
85.06538	0.5
86.09708	0.4
89.03915	0.4
91.05469	2.0
93.07034	1.2
96.08106	0.6
97.02912	0.5
98.09698	1.0
102.09140	2.4
104.69637	0.4
107.04945	0.8
107.08583	0.5
108.08111	3.1
110.09656	0.5
114.09167	0.6
117.05493	0.6
117.07008	1.0
119.04909	0.6
119.08540	0.6
121.06538	0.6
122.09668	2.3
123.04396	2.4
124.11230	1.3
127.03989	0.4
128.10698	0.5
129.05238	0.6
129.07005	1.3
131.08569	1.6
135.04422	0.9
137.05991	0.9
139.03876	0.5
141.06975	1.0
143.08585	1.2
145.10052	0.6
147.04381	0.7
152.10674	0.7
154.12242	4.7
155.08569	1.1
157.10086	0.8
159.11642	0.4
163.03902	3.6
165.06920	0.8
167.08632	0.9
169.10139	0.9
172.11258	0.5
174.12723	0.4
179.08557	1.1
181.04901	0.6
181.10110	1.3
183.11781	0.7
186.12827	0.5
188.14273	0.6
191.08511	0.4
192.09357	0.6
193.10129	1.0
195.11667	0.5
198.86423	0.4
205.10193	0.4
206.10829	0.4
207.11713	0.8
211.11159	0.4
220.37798	0.3
220.43742	0.4
221.13248	0.4
259.05981	0.4
263.76776	0.4
277.06793	1.4
287.05566	0.7
291.10486	0.6
299.05179	0.4
324.19699	0.7
328.19098	0.7
356.22156	3.5
357.22717	0.4
360.21436	0.5
362.23141	1.2
370.23755	1.5
388.24750	8.0
388.29526	0.7
389.25006	0.5
402.26440	0.4
420.27380	12.7
421.27802	1.3
438.28455	100.0
439.11148	4.3
439.16754	0.9
439.22113	0.5
439.28748	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	438.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
57.07069	73.4
57.12086	1.5
58.50396	1.6
69.07058	5.2
69.11297	10.8
71.08625	63.5
73.06543	3.4
78.70293	1.4
83.08587	2.8
85.10174	37.6
87.04463	2.6
89.06022	100.0
99.11702	4.9
107.07045	2.6
111.11737	2.9
113.13270	5.0
117.09103	2.8
120.49204	1.6
127.14832	3.7
133.08585	58.5
151.09645	4.6
154.21388	1.6
177.11212	15.2
195.12206	4.4
200.51482	1.4
219.30687	1.7
239.14861	47.6
271.26361	2.4
315.28879	2.3
421.35242	33.5
422.35300	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73855	0.8
69.74188	1.3
73.03059	1.4
97.03036	0.7
98.23344	0.8
106.70499	0.6
113.02235	0.8
123.04600	0.7
127.04102	0.7
139.02945	0.6
139.04033	0.9
145.02950	0.6
155.03180	0.8
163.04108	1.6
185.04411	2.6
192.69008	0.6
193.61559	0.7
196.82150	0.6
202.06194	0.6
229.06845	4.2
253.77856	0.5
299.07227	0.7
317.08395	85.5
318.08783	2.9
439.11642	100.0
440.12186	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	439.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85242	0.7
53.50519	0.7
53.98668	0.7
62.29002	0.7
70.06583	1.1
81.03416	1.4
89.03911	2.2
97.02853	1.0
103.05508	0.8
109.02898	0.9
115.03863	0.8
117.03365	3.3
119.92776	0.8
124.07570	2.7
135.04407	9.4
137.05969	1.2
145.02846	5.4
163.03885	42.2
164.04230	1.0
164.07037	1.8
181.05011	2.3
228.30054	0.9
237.17105	0.8
275.07480	0.9
300.88699	0.8
307.08173	1.9
307.11523	1.5
309.14413	0.8
335.09399	4.2
438.28351	1.0
439.15686	100.0
439.28561	2.1
440.16058	5.7
460.69131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.157
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06556	0.7
71.45148	0.7
73.02912	2.4
80.46069	0.8
85.02920	1.1
94.19580	0.7
95.01083	2.7
97.02872	1.1
105.07058	0.9
107.29008	0.8
112.74881	0.7
113.02116	2.5
115.03960	1.1
116.86453	0.7
123.04402	1.8
163.02550	0.7
163.03903	2.6
167.03223	1.0
185.04158	4.8
201.03784	0.8
202.06015	2.3
213.26996	0.8
222.07240	0.8
229.06786	3.6
237.02765	1.1
277.10443	1.0
317.08377	69.4
318.08771	2.5
322.40753	0.8
439.11310	40.7
439.15692	100.0
440.11768	2.9
440.16162	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	439.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89621	0.4
66.48991	0.5
71.45191	0.5
72.52650	0.5
72.70683	0.4
83.01057	0.5
84.01877	1.0
88.65711	0.5
92.68892	0.4
95.01093	2.3
96.01861	0.8
110.83209	0.4
112.01345	0.9
113.02116	2.3
113.64340	0.4
126.02921	0.6
134.91248	0.5
157.04753	0.6
163.51041	0.4
165.26367	0.6
167.03177	0.8
185.04201	4.2
201.03682	0.6
202.06007	3.9
227.56355	0.4
259.07986	0.9
277.10541	0.5
423.51282	0.5
439.15756	100.0
440.16107	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43755	0.3
67.53974	0.3
81.03404	0.4
90.80264	0.3
105.07024	0.5
121.20609	0.3
135.04408	0.7
136.07610	0.8
137.05988	0.3
138.09169	0.4
144.37747	0.3
151.50076	0.3
155.01984	0.4
163.03893	2.7
164.07039	0.8
166.87410	0.4
187.49208	0.3
212.71709	0.4
215.03099	0.3
256.61636	0.3
281.20090	0.3
282.09625	0.4
307.08517	0.3
307.11554	2.5
314.77664	0.3
438.28500	0.8
439.15674	100.0
440.16006	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	439.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40788	0.4
77.53152	0.3
79.18673	0.3
82.80220	0.3
83.01093	0.6
84.01868	0.6
94.20768	0.3
95.01067	1.5
96.01886	0.9
103.05408	0.3
112.01361	1.3
113.02112	2.6
115.03924	1.1
126.02892	0.7
130.73668	0.3
131.04948	0.9
148.05223	0.3
153.20126	0.4
157.04694	0.6
163.03871	0.4
163.07541	0.4
167.03217	0.4
185.04201	3.8
185.05679	0.6
201.03717	1.1
202.05992	3.0
203.05139	0.3
243.08397	0.4
259.07919	1.2
273.48557	0.4
277.10385	0.4
354.02069	0.3
380.33197	0.3
439.15741	100.0
440.16089	6.1
440.21649	0.6
453.60022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1596
Annotation	sec-o-Glucosylhamaudol
Peak:m/z	Relative Intensity
55.01850	1.4
59.04993	4.2
64.97670	0.4
67.45313	0.4
68.99780	0.9
69.03410	0.5
69.14100	0.8
69.14498	1.8
70.06570	0.8
85.02895	0.9
86.09697	0.4
115.05402	0.4
117.07004	0.4
123.04427	0.7
128.06206	1.2
129.06990	0.6
131.04872	0.8
133.02835	1.1
136.07553	0.4
143.08548	1.5
145.06525	0.7
147.04381	1.3
149.05894	0.5
153.06967	0.7
159.04460	2.7
159.08041	0.4
163.03844	0.8
171.08032	3.1
173.05942	0.7
177.05417	1.5
178.02600	3.0
181.06499	0.4
184.05214	0.5
185.06036	0.7
187.03954	1.0
189.05403	0.6
191.03374	1.7
191.07014	0.5
193.01242	0.8
193.04927	1.3
199.07521	2.1
201.05478	2.6
203.03374	14.3
204.04037	1.4
205.04929	2.2
206.02063	1.1
213.05460	0.8
215.03337	4.3
216.07845	1.0
217.04919	0.7
219.06432	2.6
221.04433	15.9
227.07008	4.5
229.04935	10.6
230.05576	0.9
231.06532	0.5
231.10115	4.8
243.06526	1.5
244.07268	8.1
245.07845	0.7
247.05962	1.9
259.09631	22.0
262.08191	0.5
277.10675	100.0
278.11038	4.0
439.19330	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.3
62.01871	5.9
67.05519	10.4
71.42804	7.2
79.05485	12.0
81.07035	10.5
84.94801	5.4
91.05453	8.0
94.45181	6.1
95.08597	19.6
105.06955	6.6
107.08585	12.1
109.10170	12.6
119.08562	17.4
121.10116	10.7
131.08540	7.8
145.10112	10.5
147.11765	6.4
151.03897	12.2
159.11523	8.2
183.46146	6.4
189.16451	10.8
191.17892	13.4
203.17943	13.5
290.23166	8.1
377.23215	9.5
393.34958	7.2
427.83569	6.7
438.33994	7.2
439.10037	21.7
439.23068	100.0
439.35583	9.0
440.22403	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	439.2298
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.01854	0.4
67.05492	0.7
69.03413	1.1
69.11411	0.6
69.11811	1.9
70.06576	0.7
73.02913	0.6
79.05479	0.7
81.07040	1.1
83.04964	1.4
85.02892	1.5
86.09679	0.5
91.05470	0.8
92.26125	0.5
95.04939	0.4
95.08601	0.6
97.02872	0.5
97.06506	0.6
99.04444	0.4
101.78671	0.4
104.20525	0.4
104.41571	0.3
105.07037	0.4
109.10156	0.5
111.16972	0.4
119.08592	0.5
128.56981	0.3
133.02837	0.7
145.04945	0.5
163.03874	0.4
175.10951	0.6
185.04324	0.4
191.10457	0.9
193.04915	7.1
201.03673	2.0
203.05223	2.1
214.75943	0.4
243.04652	2.0
246.34538	0.4
259.12659	0.4
259.16669	1.8
261.18262	2.5
271.11429	0.9
287.03671	13.1
288.04041	0.5
289.05228	1.5
353.15451	0.7
378.59723	0.4
395.16635	4.5
439.15750	17.6
439.22870	100.0
440.16162	1.7
440.23239	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	439.2297
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05511	0.6
69.03410	0.4
69.07030	0.5
69.19243	2.0
69.25464	0.3
70.06585	0.4
72.84976	0.3
74.00849	0.3
79.05499	0.7
81.03412	0.6
81.07023	0.4
85.02881	0.8
91.05480	0.6
93.07023	0.5
95.01047	0.3
95.04946	0.4
95.08550	0.4
97.02878	0.6
98.23505	0.8
103.11943	0.4
105.07020	1.1
107.04951	0.5
107.08605	1.0
109.02852	0.5
109.06500	0.5
113.02086	0.4
119.08554	0.5
123.04463	0.9
135.08035	0.9
135.33241	0.3
137.05952	0.7
143.08556	0.5
145.02803	0.6
161.05975	0.5
163.07544	1.4
167.07043	4.3
167.08336	0.6
171.08159	0.4
177.05461	0.8
185.04315	0.8
191.03415	0.9
193.08597	0.7
201.03661	0.8
201.05432	0.6
203.05252	1.3
259.16727	0.9
261.18350	0.4
277.10703	3.6
277.14041	0.8
327.14221	0.7
369.18762	1.5
379.54572	0.4
387.17953	0.5
405.19073	0.4
421.21811	0.5
439.23056	100.0
440.23349	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	439.2297
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
51.86417	0.4
53.71422	0.5
57.90043	0.4
67.05503	0.6
69.03413	1.4
79.05464	2.5
79.69688	0.4
81.03402	1.0
81.07020	0.6
83.08527	0.5
85.02886	1.0
91.05475	2.9
93.07024	1.1
95.08603	0.7
97.02878	1.6
101.08106	0.5
101.59834	0.5
102.05454	0.4
105.07022	2.2
105.99662	0.5
107.04931	0.5
107.08594	4.5
109.02869	0.7
109.06469	1.1
115.05453	1.8
117.06994	2.0
119.08547	0.6
121.79663	0.5
123.04411	0.5
127.03900	0.8
133.10184	0.7
135.08031	12.4
136.08369	0.6
139.03894	0.5
163.07518	6.0
181.08598	2.5
187.90388	0.5
201.03706	0.8
202.26768	0.5
203.05243	2.9
203.06886	0.5
222.49420	0.4
259.16724	1.3
261.18237	0.5
277.14175	0.8
285.09396	0.9
307.11746	1.3
325.12704	0.8
439.22998	100.0
440.23196	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	439.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	0.3
69.03416	0.6
69.07054	0.4
69.78252	1.2
74.66168	0.3
79.05487	0.7
81.07034	0.5
87.79276	0.3
90.52015	0.3
91.05500	0.5
93.07009	0.7
95.08575	0.5
105.07036	0.8
105.09785	0.3
107.08584	1.3
107.18330	0.3
109.10171	0.3
113.02116	0.3
121.10110	0.3
135.08017	0.5
135.11710	0.5
161.09610	0.4
163.11143	1.0
196.68199	0.3
201.03702	0.8
203.05241	3.2
221.04330	0.6
235.05890	0.4
244.90654	0.3
259.16571	2.2
261.18271	2.0
265.80545	0.3
277.14258	0.4
277.17731	1.0
295.57938	0.3
367.17282	1.5
369.18704	2.1
439.22992	100.0
440.23331	5.4
440.29230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
57.03427	0.4
57.20413	0.5
67.05499	1.5
69.03428	1.7
69.07062	1.2
69.35867	0.4
69.85059	1.3
70.06581	0.9
71.04988	0.5
73.02913	0.9
73.06554	0.4
79.05492	1.2
79.21581	0.4
81.03410	0.8
81.07066	2.1
81.07491	0.4
83.04991	0.8
83.08590	0.7
84.04537	0.7
85.02898	1.8
85.06524	0.7
86.09718	0.7
91.05481	1.6
93.06513	0.5
93.07049	1.9
95.04975	1.0
95.08592	1.1
97.02892	1.7
97.06532	0.7
105.07036	1.5
107.04919	0.5
107.08595	1.8
109.02857	0.8
109.10162	1.3
110.07199	0.5
115.03938	1.1
117.22978	0.4
119.08553	0.7
121.10121	1.2
124.07684	0.4
127.03889	0.9
131.08629	0.4
133.10117	5.8
135.08075	0.5
135.11691	0.9
136.07574	1.1
137.06006	0.8
137.09601	2.7
142.07748	0.4
145.04913	0.7
145.10109	1.0
147.11801	0.5
153.09163	0.5
157.10136	0.4
159.11739	0.8
164.07074	1.1
165.09250	0.5
173.13345	0.8
191.14339	2.3
201.03734	1.1
203.05257	3.8
236.33528	0.4
259.13333	0.6
259.16779	1.4
259.20850	0.4
261.18231	2.0
277.14197	0.8
285.09445	1.0
355.17520	0.7
395.17133	0.6
396.28641	0.6
421.22122	0.7
439.23135	100.0
440.23404	7.1
451.12750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.9
55.05502	12.4
57.07050	2.9
59.05005	4.2
66.58988	3.0
67.05493	9.5
68.90549	2.7
69.03410	8.5
69.07069	9.0
70.06565	2.7
71.04984	9.8
79.05479	13.4
81.03410	2.8
81.07043	30.8
83.04977	8.0
83.08639	6.8
85.02886	6.9
85.06535	9.5
91.05461	12.3
93.07017	22.6
95.04984	4.6
95.08595	24.2
97.06528	4.4
105.07018	21.4
107.04979	3.3
107.08569	23.8
109.06483	7.1
109.10128	23.2
111.08116	3.8
113.09637	4.9
119.08566	27.9
121.06474	6.5
121.10142	33.2
122.07281	3.8
122.99344	3.0
123.08031	6.1
123.11717	9.0
125.09630	7.4
131.08583	6.3
133.10109	49.2
135.08026	3.0
135.11693	12.8
137.09619	31.6
139.11168	6.8
143.08572	6.5
145.10104	9.9
147.08061	3.8
147.11668	10.2
149.09573	5.1
149.13190	5.7
151.11197	10.5
157.10181	5.9
159.11662	8.4
161.09633	5.9
161.13242	6.5
169.10121	4.8
171.11621	4.7
173.13243	5.4
175.11128	3.7
175.14813	23.1
185.13292	5.9
187.14861	4.2
189.16356	3.1
191.14166	3.3
199.14755	6.4
201.16357	8.1
203.14256	8.3
217.15892	3.5
217.19412	3.0
241.19402	3.3
259.20596	34.6
277.21606	100.0
278.21890	10.0
289.21515	4.1
291.81299	2.7
392.78262	3.5
439.16544	5.6
439.22653	10.9
439.28665	6.4
439.35507	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	439.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97093	3.7
55.05502	15.2
63.89433	3.4
64.00574	3.2
67.05495	17.2
69.03417	10.5
69.07067	16.7
69.10835	18.2
69.11256	9.3
79.05478	17.4
81.03425	3.5
81.07057	39.6
83.04945	9.5
83.08612	12.5
84.08099	4.0
85.02897	11.0
88.55520	4.2
91.05466	14.7
93.07036	30.5
95.04969	10.2
95.08598	37.3
97.06512	8.7
98.22606	7.0
105.07028	30.5
107.04899	6.8
107.08575	39.3
109.06509	8.6
109.10137	30.7
113.09647	10.4
117.06998	6.2
119.08569	37.3
120.08092	4.6
121.06518	8.2
121.10128	34.5
123.08044	7.0
123.11685	14.5
125.09616	5.7
127.11102	4.5
129.06984	5.6
131.08463	4.5
133.06485	5.0
133.10109	59.6
135.11670	16.7
137.09622	27.9
139.11153	8.5
142.68486	3.6
143.08514	8.2
145.10103	14.0
147.07933	5.5
147.11665	12.3
149.09641	7.1
149.13307	6.3
151.11142	10.8
157.10110	12.3
159.08037	4.1
159.11685	6.8
161.09581	12.3
161.13246	8.4
171.11726	4.6
173.13167	4.6
175.14792	30.9
185.13185	5.5
189.12784	4.5
189.16147	4.3
201.16336	4.2
203.14305	13.0
213.16362	6.1
241.19383	5.2
259.20529	28.0
277.21591	100.0
278.21970	4.2
395.11072	4.1
439.09784	10.8
439.23584	18.4
439.31812	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.9
57.07068	8.3
61.79136	2.3
65.03900	2.5
67.05490	15.0
69.07059	10.1
71.08620	5.8
74.46703	2.1
79.05506	6.7
81.07054	25.6
85.10168	3.1
87.19982	2.1
89.06030	13.8
90.06361	2.7
91.05484	8.2
93.07030	21.8
95.08598	22.3
97.06527	2.8
97.10161	3.4
99.08082	2.2
105.07001	11.2
107.08595	21.8
109.10159	19.2
111.08046	3.9
119.08576	14.1
121.10143	9.6
123.11689	8.1
127.11158	2.8
131.08611	2.4
133.08597	7.3
133.10101	9.6
135.08046	3.0
135.11687	11.5
137.09612	9.5
139.11087	2.4
143.08545	2.2
145.10114	5.1
147.11697	7.6
149.13190	3.6
151.07523	10.2
157.10211	3.2
159.11713	4.3
161.13222	7.5
163.14796	2.8
165.09091	100.0
166.09503	2.6
173.13232	3.5
175.11151	2.7
175.14841	4.4
177.09036	5.5
177.16353	2.7
187.14900	3.2
189.09164	7.0
189.16386	4.6
191.10684	6.7
201.16342	4.0
203.10637	7.8
203.18048	3.3
205.12155	13.9
217.12230	4.4
221.11777	2.9
229.12323	3.2
231.13745	3.4
233.11713	3.1
239.14896	5.5
240.15256	4.0
259.58868	2.4
421.30838	4.5
439.22723	2.8
439.31616	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45113	1.1
50.79915	1.2
53.03934	4.4
53.98310	1.3
54.13075	1.3
55.01856	1.5
57.03429	3.5
61.02898	3.1
69.03418	26.3
69.49359	4.3
71.04969	2.2
73.02908	10.5
75.04477	3.1
81.03403	18.7
85.02894	41.5
91.03950	2.8
91.12342	1.2
97.02875	53.1
98.03228	1.3
98.97584	2.0
99.04449	7.6
99.04999	1.3
101.02386	4.3
105.01853	5.2
109.02861	30.4
112.36143	1.3
115.03907	8.8
119.03397	100.0
127.03893	52.4
139.03917	1.3
145.04921	24.4
165.03932	66.9
169.01288	3.6
201.00679	2.6
201.04005	1.9
207.04997	2.4
219.01735	2.5
219.05020	5.2
227.05357	1.7
237.00615	1.9
241.03343	2.7
245.06641	4.6
261.02866	2.0
263.07617	2.6
273.06039	10.7
286.80103	1.4
291.07019	18.2
309.08176	9.0
336.88129	1.4
440.13144	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99575	8.8
62.07619	1.2
67.05492	2.1
69.03414	1.8
70.06580	2.5
71.04997	1.2
76.02216	10.0
80.72681	1.1
84.04501	3.2
85.02925	2.7
86.99053	2.3
88.07661	1.9
88.78756	1.3
97.02888	1.2
99.04436	1.0
100.02193	8.3
105.00089	3.1
105.03381	2.3
120.04401	1.1
120.14033	1.0
122.06040	2.2
129.09105	1.3
135.04395	2.0
136.07578	3.9
145.02940	1.2
146.02673	9.4
150.05479	1.5
155.07274	1.4
158.09650	2.5
162.05562	1.3
163.03899	9.7
164.07031	3.3
168.08125	1.7
170.09660	2.1
172.07552	2.5
175.08688	5.0
176.67667	1.3
186.09120	4.0
188.03767	4.8
189.10231	2.4
196.04300	1.4
196.07602	4.6
198.09233	7.9
199.08667	2.0
200.07021	2.0
212.10806	1.9
213.10204	13.4
214.08635	5.1
215.08186	1.6
215.11758	3.7
217.09647	6.6
227.08131	2.1
227.11739	2.1
228.04845	1.7
231.11301	3.1
235.10764	8.1
239.08098	1.5
240.08702	5.8
241.09720	38.0
242.04767	3.3
242.08081	3.9
242.10306	2.7
243.11285	24.8
244.11638	1.5
254.06300	1.4
254.10513	4.3
255.11230	8.9
256.11188	1.4
257.12885	2.0
258.12366	13.1
259.10733	33.7
259.13245	2.3
260.08911	2.2
260.11380	1.7
263.57504	2.0
264.07751	1.3
271.12976	3.4
273.06787	1.8
273.12335	1.6
277.11865	2.7
282.09879	1.4
283.10760	11.8
284.09128	1.7
285.12219	17.9
285.14847	1.4
286.09647	2.4
299.08371	3.6
299.12448	1.3
300.11069	1.4
301.11789	38.7
302.10190	3.8
303.13428	6.5
316.11099	1.7
317.13687	29.6
318.12820	5.2
319.12799	7.7
360.13641	3.2
362.11658	10.6
363.09955	6.5
378.14999	2.5
404.12686	25.7
405.11038	8.0
422.13751	100.0
423.12506	11.6
424.12097	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01866	5.7
56.35486	0.2
57.03419	1.1
59.04991	2.0
61.02904	0.6
69.03419	10.2
69.55984	0.9
69.56331	0.3
70.76096	0.2
71.04984	0.3
73.02888	0.9
81.03410	4.4
85.02893	4.5
87.03944	0.1
87.04451	5.7
97.02876	13.3
98.03283	0.3
98.22739	0.5
99.04454	0.9
108.04460	0.5
109.02861	3.5
115.03910	100.0
116.04257	1.6
127.03899	4.3
129.05533	0.5
133.03934	0.5
133.04942	8.3
133.05923	0.5
134.05244	0.3
145.04956	2.5
147.06490	3.4
165.05443	0.3
187.05925	1.3
199.06015	0.5
199.51379	0.3
205.07120	0.3
241.07117	0.8
259.08078	6.4
273.09045	0.3
277.09137	2.5
308.20261	0.3
387.12543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	7.4
57.07065	4.8
59.04953	3.6
67.05486	12.4
68.02470	2.2
68.05023	20.6
69.03419	5.9
69.07069	7.0
70.06581	61.5
71.04989	3.8
77.06350	2.7
79.05472	15.9
80.05016	7.1
81.07043	25.9
82.06554	4.9
83.04947	6.0
83.08607	3.7
84.04482	4.0
84.08151	11.6
85.06528	4.2
85.07012	2.4
91.05476	23.8
93.07035	27.3
94.06543	5.0
95.04952	9.4
95.08599	15.4
96.08099	12.3
97.06544	6.2
98.06051	5.5
98.97575	2.6
100.07606	21.7
105.07009	51.1
106.06496	2.3
107.04970	3.1
107.08560	20.5
108.08099	19.3
109.06509	10.4
109.10145	11.0
114.05530	10.7
116.07050	3.3
117.07000	9.0
119.08566	35.2
120.08081	6.0
120.08885	2.5
121.10119	15.1
122.09686	5.3
123.08041	5.5
123.11713	2.9
125.05957	3.4
126.09150	5.7
128.06203	5.3
128.07060	37.5
129.07025	6.6
130.05037	3.2
130.07707	3.0
131.08540	18.4
133.10103	13.5
134.09610	6.5
135.07999	6.1
135.11708	7.3
136.11208	3.0
137.09602	8.6
142.07794	8.1
143.08563	22.4
144.09406	5.1
145.06430	2.6
145.10098	30.4
146.09615	5.2
147.07994	6.7
147.11639	11.5
148.11217	10.2
149.09676	2.9
154.08607	74.9
155.08575	9.1
155.10664	5.4
156.09317	6.6
157.10098	21.1
159.08043	3.1
159.11688	11.9
160.11217	9.0
161.09599	4.6
161.13319	3.9
162.12778	5.0
163.11195	3.5
164.07030	3.1
165.06946	2.8
165.09096	20.6
167.08585	4.7
169.10110	10.9
170.10741	2.8
171.11649	17.3
172.11201	8.0
173.13309	5.9
174.12770	9.7
175.11195	6.4
181.10100	5.6
181.12296	2.9
182.10799	4.3
183.11725	8.4
186.12660	5.4
188.14378	6.3
192.10234	3.8
193.10161	4.2
194.11823	24.7
195.11771	7.9
197.13251	10.2
199.11223	4.0
199.14789	3.8
203.14288	7.2
206.11212	2.5
207.11662	5.6
208.12560	4.0
209.13231	8.2
211.14815	4.0
215.14342	4.5
218.11707	6.4
220.13242	3.6
221.13339	3.8
221.15323	29.8
223.14787	5.2
232.13249	11.8
235.14830	5.9
248.61929	2.7
258.14783	3.2
270.14725	2.8
281.19150	2.4
284.16226	2.4
291.20953	3.1
299.19992	21.4
304.22601	4.2
327.23157	4.8
348.21573	6.0
360.21753	10.7
396.28894	32.9
397.29370	3.4
401.14505	2.8
422.26782	4.1
439.35440	4.9
440.27942	100.0
440.35837	11.9
441.28397	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	440.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07003	9.5
55.05511	16.7
57.00972	8.8
67.05487	23.7
68.05020	18.2
68.66180	8.9
69.07056	21.6
70.06580	78.8
79.05480	26.2
79.49142	8.2
80.04984	10.9
81.07042	55.0
83.04960	17.6
83.08595	10.1
84.04491	12.8
84.08108	9.1
85.02884	10.6
85.06509	11.2
91.05470	28.4
93.07063	50.7
95.04981	11.7
95.08598	36.5
96.08118	17.5
97.02930	10.2
100.07606	27.4
105.07018	74.9
107.08588	38.7
108.08086	22.0
109.06526	15.9
109.10163	26.8
111.08024	9.6
112.05089	10.3
114.05505	10.2
117.07007	17.0
119.08556	43.4
120.08105	9.0
121.10130	19.6
122.09677	9.2
123.08074	15.5
125.09566	8.8
128.06212	15.3
128.07085	45.3
129.05307	9.0
129.07010	11.0
130.05070	12.7
131.08568	29.2
133.10126	19.4
135.08127	11.7
135.11644	11.2
137.09604	14.1
143.08553	28.8
145.06436	8.6
145.10158	40.3
147.11679	15.2
148.11240	10.3
154.08620	94.7
155.08563	9.0
156.09358	10.7
157.10139	24.2
159.11768	21.2
160.11211	13.8
165.09137	23.8
169.10201	14.9
171.11743	22.9
173.13174	12.8
181.10089	10.1
183.11617	18.4
187.14828	10.1
194.11815	34.1
195.11772	10.4
197.13217	14.8
203.14316	15.5
209.13318	10.0
211.14880	8.9
221.15347	16.7
232.13368	21.0
299.20029	18.2
327.23325	11.8
396.28860	44.4
440.23254	30.5
440.28406	100.0
441.24130	25.6
457.47119	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	440.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
57.07064	30.4
57.54613	0.9
64.62243	0.9
69.07047	1.5
69.28700	2.5
69.29107	3.7
71.08620	30.5
73.06550	5.0
81.07038	1.2
83.08592	3.6
85.10168	29.1
87.04438	3.1
89.06016	100.0
97.10132	1.1
99.11723	2.0
107.07034	2.8
111.71512	1.0
117.09106	1.7
120.53951	1.0
130.08623	2.3
133.08578	42.8
141.16348	3.6
142.84009	1.0
146.69530	1.1
177.11188	17.5
185.19017	5.0
221.13690	1.6
229.21562	12.9
239.14847	2.1
256.30490	1.1
273.24210	3.6
283.17441	13.7
284.17545	1.4
301.26889	1.1
323.81064	1.0
393.93158	1.1
400.52908	1.0
423.33032	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	441.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41796	1.3
56.96556	3.4
62.45358	1.2
67.63148	1.1
70.77040	1.3
70.77370	1.4
84.08117	1.8
97.02885	1.3
98.97548	7.1
101.00894	2.1
106.61020	1.5
113.00883	1.7
115.03874	1.6
116.98633	3.6
119.01904	4.0
122.97790	1.8
131.01901	4.3
134.99869	2.1
152.05695	1.7
155.01875	2.1
158.99840	4.1
162.99379	1.6
166.17439	1.2
170.99670	2.0
173.03171	1.5
177.00922	27.7
178.00989	2.6
182.99875	4.0
188.98502	1.2
189.00848	4.6
191.02185	1.6
197.02995	2.5
201.00905	45.6
202.00957	3.0
203.02469	6.3
205.00441	6.3
209.01585	1.5
211.03175	1.3
213.00893	13.7
214.01068	1.8
215.02402	10.0
215.03793	1.0
219.01976	100.0
220.02081	7.6
221.05003	1.5
222.08543	1.2
225.00827	7.9
227.02452	20.8
228.02646	2.9
229.00404	5.5
229.03999	4.3
231.02025	13.2
232.02025	1.3
232.96646	1.5
233.03571	1.9
234.99664	2.0
237.00998	8.8
237.02969	1.6
239.02556	2.9
241.04056	1.9
243.01976	93.6
244.02113	7.9
245.03616	11.5
246.00891	1.2
246.03703	1.6
247.01532	5.6
250.97627	1.6
255.01965	79.7
256.02087	7.5
256.96689	2.0
257.03595	10.2
261.03027	57.2
262.03293	5.0
266.03696	1.4
267.01926	12.5
268.01935	2.0
269.03427	2.8
273.03049	35.2
274.03363	2.4
274.97638	5.0
275.00940	1.6
283.00018	1.4
285.03000	52.9
286.03247	4.5
291.04266	2.3
292.98425	1.7
293.03409	3.1
297.02975	8.4
298.03424	1.8
298.97775	6.9
299.00839	1.4
303.04083	54.2
304.04257	5.0
315.02228	1.9
316.98749	7.9
317.02054	2.4
321.05414	8.1
327.04144	2.8
342.53229	1.3
345.05157	22.0
346.05447	2.9
351.04230	2.2
363.06241	7.5
369.05093	11.6
387.06253	2.1
399.06567	2.8
431.08823	4.0
441.07230	95.0
442.07297	11.7
459.02130	1.3
459.08423	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	441.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29849	1.3
64.67918	1.3
69.59399	6.0
87.51195	1.4
91.05482	4.7
93.07037	1.4
94.04198	3.9
107.04977	2.5
110.12975	1.3
117.07029	3.9
119.04923	4.2
121.06522	4.1
122.03668	5.9
123.08136	1.5
129.06993	4.3
131.04922	1.6
131.21324	1.6
137.05963	100.0
143.13063	1.5
147.04390	1.8
149.05978	3.2
151.07518	16.6
157.06476	3.5
161.05974	9.5
163.07591	3.5
174.06900	1.9
175.07555	4.1
177.09085	8.1
189.09084	10.2
193.10072	2.8
195.10161	4.9
207.08116	1.9
210.06648	2.0
221.09521	1.8
225.09084	3.1
235.07314	1.7
253.08606	6.0
253.12105	3.7
266.09128	1.6
267.10507	1.8
269.08063	2.0
275.05899	3.5
281.11633	1.7
285.11169	4.1
287.05792	3.4
293.11786	1.8
299.12744	5.8
313.14352	9.9
325.14282	3.1
343.15317	5.1
361.16571	2.0
411.11069	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	441.1524
Annotation	Pharacine
Peak:m/z	Relative Intensity
50.50239	4.5
56.96555	15.3
56.99149	5.6
66.20615	4.3
81.07048	21.8
82.04335	4.8
84.96017	5.3
98.97559	92.1
110.97536	7.7
111.30521	4.2
112.99129	10.9
115.54270	5.1
116.98604	31.5
128.98634	8.5
131.00133	8.8
134.99649	7.8
146.99582	4.3
158.72885	4.3
158.99628	45.0
170.99887	4.5
173.01167	8.2
177.00702	33.6
177.02005	5.6
187.22429	4.6
191.02220	10.4
193.43848	4.6
201.00690	5.4
219.01726	22.8
236.73520	4.6
237.02756	8.7
253.11108	8.4
282.46509	5.4
282.58856	4.7
355.14209	100.0
397.15173	42.2
441.15256	60.0
441.20724	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	441.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77680	0.2
64.26141	0.2
70.24147	0.5
73.67693	0.3
82.03929	0.4
83.01060	0.3
84.01865	0.6
86.31117	0.3
95.01064	1.3
96.01865	0.8
98.22800	0.3
112.01334	1.0
113.02112	1.7
113.09575	0.3
126.02840	0.5
157.04697	0.7
163.55360	0.2
185.04202	2.8
201.03711	0.8
202.04477	0.4
203.05191	0.5
204.07504	2.4
205.08147	0.3
231.54756	0.3
252.67033	0.3
259.07864	0.7
279.12100	0.4
441.17242	100.0
442.17554	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	441.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	1.0
72.08128	0.7
74.94414	0.6
77.23981	0.6
78.70364	0.7
79.05524	0.9
86.09691	2.3
91.89522	0.6
93.07042	1.7
95.08584	1.2
97.01240	0.6
107.08561	1.4
112.50191	0.7
193.11987	4.2
203.05196	1.0
245.06236	4.8
245.99933	0.7
271.04333	0.6
287.03717	1.3
289.05225	8.5
337.15881	1.0
355.17224	8.6
358.89462	0.6
379.17188	0.8
397.18292	56.2
398.18610	3.1
423.16174	1.1
441.17239	100.0
442.17657	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47606	0.9
54.25438	0.9
55.01863	1.3
55.05498	2.8
57.03435	1.6
61.21167	1.0
63.97664	0.9
64.54921	0.9
67.05508	2.7
69.03415	4.1
69.07058	3.8
69.61016	1.0
69.61347	4.3
70.06587	1.8
70.07383	1.3
71.04974	3.8
71.31122	1.0
73.02901	4.9
79.05481	3.6
81.03413	3.7
81.07050	4.3
83.08618	3.7
85.02911	5.6
86.09692	4.0
89.63532	1.0
91.05491	2.6
93.07031	2.3
95.04949	2.8
95.08591	4.1
97.02883	4.3
97.06508	1.2
98.22641	1.1
99.04417	1.4
101.02438	1.0
101.03098	1.3
103.05462	1.1
107.08580	2.2
109.02838	1.7
109.06551	1.0
109.10151	3.6
112.12035	1.2
115.03916	2.9
117.07061	1.2
119.08591	1.9
121.10148	1.7
123.04428	2.9
127.03901	2.5
128.06207	1.7
129.07037	2.1
129.12756	1.9
131.04942	1.4
133.02843	1.6
133.04936	1.9
133.10152	1.5
137.09576	2.4
145.02788	1.1
145.04912	1.3
145.06436	2.0
145.10132	2.2
147.04376	1.9
147.08017	1.2
155.04778	1.3
155.06029	1.2
157.06467	2.5
159.08052	1.3
159.11722	1.7
163.03906	3.7
165.09132	2.9
173.02464	2.0
173.06009	2.4
175.07442	1.3
183.04483	2.4
185.06013	1.7
187.03828	2.6
189.05455	1.1
193.12038	1.5
201.05408	2.7
203.05222	2.6
203.06932	1.9
205.04904	1.3
213.05450	1.3
215.06865	2.5
217.08478	1.1
219.06503	2.8
220.92964	1.2
221.08061	3.0
229.05013	1.9
231.06306	1.7
243.04633	1.7
245.06288	7.4
279.15744	1.7
287.03687	15.8
288.04150	1.3
289.05252	100.0
290.05685	2.6
303.06583	1.1
317.08075	1.5
331.05933	1.8
345.07623	1.2
351.35553	1.4
355.17252	2.9
360.64822	1.1
363.08362	1.1
391.45618	1.1
397.18225	20.2
398.18320	1.6
423.25021	1.1
441.17215	91.0
441.24295	41.4
442.17566	9.2
442.24417	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63074	0.6
55.05495	0.8
68.41730	0.6
69.07078	0.6
69.69281	2.5
70.06573	0.7
79.05481	0.7
81.07048	0.8
84.08129	0.7
85.02900	1.0
86.09694	1.4
91.05461	0.7
93.07043	1.4
95.04948	0.7
95.08613	0.8
99.08080	0.6
100.11254	2.5
107.08622	0.9
109.10114	1.0
111.04440	0.9
114.09150	2.6
117.06992	0.8
119.04922	0.7
121.06567	0.7
129.06989	0.8
135.11641	0.6
137.05940	1.7
142.08664	1.5
145.06468	1.0
147.04414	0.7
147.79565	0.7
156.13817	2.3
157.06491	1.1
161.05948	0.9
163.03894	0.8
171.04442	0.8
173.02351	0.8
173.06006	1.0
176.11523	0.6
182.15433	1.1
184.13339	1.2
203.06998	1.5
210.14908	1.7
213.05331	0.7
221.08064	1.5
227.17676	0.7
229.15564	0.8
230.19188	0.7
234.45535	0.6
239.47740	0.7
245.06383	1.1
251.66022	0.6
258.21759	1.2
261.14484	0.9
271.03955	0.9
279.12137	0.9
279.15707	0.9
281.09961	0.7
287.03732	0.8
289.05264	5.5
299.02542	0.6
300.26514	0.8
303.06354	0.8
331.05875	0.8
345.07535	0.9
355.17133	4.3
357.93539	0.6
368.25491	1.0
397.18304	22.1
398.18851	1.1
402.14612	0.6
441.17206	100.0
441.24295	26.7
441.33298	3.0
442.17557	7.3
442.24686	2.0
447.05148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47606	0.9
54.25438	0.9
55.01863	1.3
55.05498	2.8
57.03435	1.6
61.21167	1.0
63.97664	0.9
64.54921	0.9
67.05508	2.7
69.03415	4.1
69.07058	3.8
69.61016	1.0
69.61347	4.3
70.06587	1.8
70.07383	1.3
71.04974	3.8
71.31122	1.0
73.02901	4.9
79.05481	3.6
81.03413	3.7
81.07050	4.3
83.08618	3.7
85.02911	5.6
86.09692	4.0
89.63532	1.0
91.05491	2.6
93.07031	2.3
95.04949	2.8
95.08591	4.1
97.02883	4.3
97.06508	1.2
98.22641	1.1
99.04417	1.4
101.02438	1.0
101.03098	1.3
103.05462	1.1
107.08580	2.2
109.02838	1.7
109.06551	1.0
109.10151	3.6
112.12035	1.2
115.03916	2.9
117.07061	1.2
119.08591	1.9
121.10148	1.7
123.04428	2.9
127.03901	2.5
128.06207	1.7
129.07037	2.1
129.12756	1.9
131.04942	1.4
133.02843	1.6
133.04936	1.9
133.10152	1.5
137.09576	2.4
145.02788	1.1
145.04912	1.3
145.06436	2.0
145.10132	2.2
147.04376	1.9
147.08017	1.2
155.04778	1.3
155.06029	1.2
157.06467	2.5
159.08052	1.3
159.11722	1.7
163.03906	3.7
165.09132	2.9
173.02464	2.0
173.06009	2.4
175.07442	1.3
183.04483	2.4
185.06013	1.7
187.03828	2.6
189.05455	1.1
193.12038	1.5
201.05408	2.7
203.05222	2.6
203.06932	1.9
205.04904	1.3
213.05450	1.3
215.06865	2.5
217.08478	1.1
219.06503	2.8
220.92964	1.2
221.08061	3.0
229.05013	1.9
231.06306	1.7
243.04633	1.7
245.06288	7.4
279.15744	1.7
287.03687	15.8
288.04150	1.3
289.05252	100.0
290.05685	2.6
303.06583	1.1
317.08075	1.5
331.05933	1.8
345.07623	1.2
351.35553	1.4
355.17252	2.9
360.64822	1.1
363.08362	1.1
391.45618	1.1
397.18225	20.2
398.18320	1.6
423.25021	1.1
441.17215	91.0
441.24295	41.4
442.17566	9.2
442.24417	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01858	2.2
55.05507	10.0
57.03426	6.3
57.07069	2.6
61.02927	2.7
62.02126	2.2
67.05499	3.7
69.03433	11.1
69.07063	100.0
70.02930	2.8
70.06583	12.4
70.08421	3.2
70.08762	2.2
71.04996	5.9
72.08163	3.3
72.16315	1.8
73.02905	10.0
79.05477	3.6
81.03423	5.4
83.25248	2.2
84.08132	4.8
85.02902	33.2
87.04469	2.2
97.02884	13.9
107.04973	8.6
109.02850	4.4
111.04403	2.4
111.11714	36.9
115.03947	5.6
124.03917	2.3
125.37128	2.0
127.03913	5.2
128.07095	2.4
129.05487	4.2
129.10219	2.0
129.12744	73.7
130.06531	2.3
133.04971	3.6
134.06006	12.4
135.04411	4.4
145.04942	6.0
147.13800	13.4
152.07082	3.0
176.07031	20.1
218.08089	4.3
241.07088	2.3
279.13348	5.8
280.11801	26.0
284.21173	1.9
382.21988	2.2
441.16721	8.9
442.17087	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.8
66.01005	5.7
69.03416	14.8
69.07061	100.0
70.06583	52.2
71.43797	6.2
73.02912	14.6
74.28983	7.6
81.03417	9.7
84.08091	11.8
85.02897	26.1
91.05486	7.9
91.75034	6.9
97.02865	24.1
105.07062	6.4
109.06479	6.1
109.10072	7.7
111.11726	37.3
112.08725	12.6
115.03934	8.8
115.22054	6.4
127.03841	7.7
128.07063	15.3
129.12732	74.2
135.07977	8.3
136.07579	7.2
138.09138	7.1
145.04922	11.7
147.13771	18.4
150.05513	7.0
150.07703	47.7
163.03877	13.8
163.05983	6.9
166.08623	10.0
193.04822	17.2
203.62335	7.8
217.84744	6.1
231.64407	7.3
267.69803	6.4
277.18515	6.9
279.03665	7.9
414.00867	7.5
441.12589	16.4
441.17221	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	441.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
61.39587	0.4
69.03447	0.4
81.69074	0.5
85.02892	0.6
93.07019	0.5
98.22599	0.8
167.32820	0.4
186.58165	0.4
198.94814	0.4
203.05251	0.9
261.18234	0.4
269.62738	0.4
308.36716	0.4
367.62231	0.5
398.09918	0.4
441.14825	2.6
441.24557	100.0
442.15555	0.8
442.24963	6.6
452.64957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76454	0.4
61.70950	0.4
69.08429	3.0
71.63313	0.4
91.05479	1.1
96.48703	0.5
98.23524	0.9
105.07028	0.5
109.10170	0.5
119.08543	0.6
131.08588	0.5
137.05983	2.8
151.07518	0.5
161.06073	0.6
163.07497	0.7
201.03688	7.3
203.05240	7.3
203.06929	0.7
261.18350	3.1
262.22635	0.5
263.19806	10.7
264.20190	0.5
340.38504	0.4
441.24545	100.0
442.24841	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2454
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
61.02934	0.4
68.63808	0.3
69.03410	0.4
69.13548	1.6
73.02901	0.6
80.55358	0.3
85.02901	1.0
90.47626	0.3
97.02897	0.5
145.04898	0.4
182.15280	0.4
203.05229	5.3
203.06979	0.5
216.44325	0.3
261.18195	1.8
279.19220	0.6
441.24542	100.0
442.24930	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	441.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
67.37074	0.6
70.08186	0.7
70.08521	1.3
71.11789	0.6
74.53055	0.5
76.81707	0.7
76.87859	0.6
93.07050	0.7
192.14365	0.7
195.54198	0.6
220.76102	0.7
248.00166	0.7
441.28195	100.0
442.28485	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	441.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70692	0.6
65.36872	0.5
70.09812	1.1
70.10133	0.6
76.40256	0.5
81.32079	0.5
91.03763	0.5
91.05433	0.5
98.52937	0.5
119.08544	0.6
121.10157	0.8
121.84537	0.5
131.08636	0.5
205.04880	0.6
241.93597	0.6
441.28177	100.0
442.23212	0.7
442.28662	7.1
448.19104	0.5
469.54913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70073	1.0
71.06023	1.4
78.93969	1.1
100.33395	1.2
109.10173	1.4
111.99802	1.1
133.10121	1.3
151.07558	1.9
185.13528	1.2
205.04926	2.3
238.24516	1.1
268.15521	1.2
298.34457	1.2
349.10559	1.3
352.13135	2.5
381.10162	1.4
441.28247	100.0
442.28607	4.4
447.83572	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.2
56.60214	1.7
57.03418	4.9
57.07066	4.1
67.05501	14.9
68.83904	1.8
69.07067	20.5
71.04951	1.9
71.08624	8.9
79.05479	7.6
81.07049	22.0
83.08598	7.1
85.06512	2.9
91.05473	7.1
93.07036	12.8
95.08080	2.6
95.08601	22.0
97.10143	4.5
99.08071	9.1
105.07009	8.2
107.08584	15.6
109.06519	10.1
109.10143	7.9
111.08056	3.0
119.08589	10.0
121.06475	2.6
121.10104	9.9
123.08047	33.3
131.08495	4.6
133.10120	10.3
135.08066	5.6
135.11670	4.0
137.09584	5.6
137.13210	2.4
145.10083	4.0
147.11707	4.7
149.09555	3.9
149.13298	5.3
153.12726	5.1
159.11646	3.6
161.13158	2.6
163.14833	4.1
175.14772	3.9
177.12776	3.6
179.14296	48.5
180.14633	1.9
191.14275	3.9
251.20027	11.7
274.55542	2.0
293.21048	8.7
293.28302	2.2
303.26819	12.6
321.27896	3.4
323.68179	2.6
331.26251	46.4
332.26471	3.7
349.27322	55.6
350.27542	4.2
364.29156	2.0
377.49667	2.0
384.70895	2.2
405.29810	8.9
423.31006	100.0
424.31274	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	441.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.8
56.92286	4.2
57.07042	7.9
63.23060	4.2
63.42325	3.5
67.05500	43.5
69.07054	39.7
69.50933	18.2
71.04991	29.5
71.08591	4.4
73.31535	4.7
74.75803	3.9
75.90057	4.4
79.05479	32.2
81.07047	91.8
83.04974	5.2
83.08593	10.2
85.06540	4.6
86.90627	4.8
91.05454	27.2
93.07030	67.4
95.08598	95.8
97.06516	5.4
97.10169	9.5
99.08084	7.6
105.07008	56.0
107.08589	80.8
109.06511	5.0
109.10139	100.0
117.06973	4.2
119.08575	67.0
121.10133	64.6
123.08072	8.5
123.11694	41.3
125.09608	16.5
127.11184	51.9
131.08568	25.3
133.10115	50.3
135.11687	37.5
137.09554	6.3
137.13252	9.7
141.12750	5.6
143.08496	11.3
143.10652	4.8
144.09285	6.8
145.10109	33.9
147.11670	38.7
149.13210	37.2
151.11128	5.8
153.12689	8.6
157.10100	11.7
159.11691	35.4
161.13174	21.5
163.14813	16.1
165.09088	25.9
165.12727	6.3
171.11633	13.1
173.13229	22.8
175.14812	25.9
177.16321	11.5
179.14378	5.3
183.11566	6.0
185.13335	13.4
187.14795	24.7
189.16356	15.7
191.10641	7.6
191.17929	8.7
193.15848	9.2
197.13231	6.5
199.14778	6.0
201.16411	21.0
203.18004	13.8
204.95712	4.3
213.16432	10.9
215.17921	28.3
217.19472	11.2
227.17905	13.5
229.19434	7.6
241.19351	5.1
283.24213	13.9
301.25104	8.1
316.09265	8.5
317.09665	10.5
343.30066	5.0
355.29910	14.5
423.32080	4.4
423.36349	40.7
424.36609	10.7
441.22000	32.2
441.37241	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05490	22.8
57.07062	21.6
57.26078	9.7
57.97277	8.2
67.05505	46.4
69.07077	62.3
69.29951	9.0
70.82524	10.6
70.82858	16.5
71.04994	15.0
79.05488	28.6
81.07059	87.9
83.08607	28.9
85.06561	8.7
87.04457	18.5
91.05470	38.5
92.84759	8.9
93.07040	67.2
95.08608	97.0
100.78228	9.4
104.33076	8.5
105.07014	68.4
107.08595	86.1
109.10152	100.0
111.11755	13.1
119.08567	68.4
121.06451	14.7
121.10152	82.1
123.11697	40.1
127.11190	19.0
131.08545	19.1
133.10156	52.1
135.11711	54.6
137.09550	11.7
145.10120	30.7
147.11691	62.3
149.13208	26.5
153.12659	11.2
157.10152	12.7
159.11726	24.9
160.69296	9.7
161.13223	32.4
163.14748	14.7
165.09111	21.5
173.13307	18.4
175.14850	22.5
177.12793	20.9
183.44667	8.1
186.97461	9.9
187.14706	18.4
189.16360	29.6
191.17877	15.4
201.16434	19.4
203.17932	20.5
207.17496	10.9
213.16194	10.5
215.17923	24.4
217.19591	12.8
227.18004	17.2
233.18871	14.2
267.20850	9.2
423.36237	68.4
441.25211	11.4
441.37939	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	441.3728
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05501	26.3
56.67600	5.2
57.07075	28.5
59.73701	4.9
62.22200	4.7
62.51157	4.7
67.05501	39.1
69.07064	39.7
70.92898	7.8
71.04989	23.8
71.08627	25.6
73.06555	5.7
79.05469	29.7
81.07049	100.0
83.08599	9.5
85.10172	24.9
89.06020	84.7
90.06364	16.0
91.05463	35.3
93.07031	82.8
95.08595	86.6
97.10160	9.9
99.60854	4.9
105.07019	64.1
107.08587	78.7
109.10146	97.5
118.11186	4.8
119.08570	61.3
121.10123	66.0
123.11709	42.7
124.95538	5.0
125.09607	12.5
127.11173	32.4
131.08601	17.7
133.08636	31.8
133.10115	36.1
134.08945	12.0
135.08168	5.9
135.11673	52.0
137.13234	9.3
141.12839	7.2
143.08534	12.4
143.10698	11.1
145.10101	35.0
147.11658	53.6
149.13232	26.1
151.11169	5.9
153.12804	12.5
157.10133	11.8
158.53276	6.4
159.11662	37.7
161.13199	24.1
163.14786	13.8
171.11658	17.6
173.13252	33.7
175.14827	35.1
177.11237	10.6
177.16373	14.7
185.13284	9.8
187.14848	18.7
189.16373	23.5
191.17996	7.9
199.14796	7.6
201.16389	16.3
203.17953	7.2
213.16429	15.7
215.17929	19.9
227.17928	15.5
229.19521	8.9
229.21608	7.3
241.19658	7.4
245.18694	5.6
257.22723	8.6
277.24893	5.2
283.24194	19.2
284.17902	7.1
297.25668	6.7
317.10403	7.6
423.36090	54.1
424.32831	11.0
441.32523	5.1
441.37393	44.9
442.38391	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	442.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
54.72389	1.2
55.01866	10.0
57.03436	18.9
58.81089	1.2
59.04996	2.1
60.04521	2.4
61.02926	16.6
62.76214	1.2
67.05506	2.6
68.86395	1.6
69.03426	33.4
70.06573	3.5
70.72018	3.0
71.01348	3.1
71.04964	2.0
72.08139	2.8
73.02910	100.0
81.03412	5.4
81.07040	1.5
85.02898	78.0
85.10181	2.2
86.09714	2.7
87.04451	4.0
91.03955	4.0
91.05444	1.7
95.08597	6.2
97.02248	3.0
97.02880	55.8
99.04458	5.3
103.03962	2.6
105.07003	1.7
109.02853	6.6
113.09649	5.4
115.03925	33.4
121.06478	1.4
121.10070	2.1
127.03901	25.4
131.10654	1.8
131.32062	1.7
133.04950	43.0
144.06580	4.0
145.04939	41.7
150.07558	4.2
156.06520	3.4
158.09196	1.3
162.07603	4.6
163.06004	11.4
175.06070	1.5
180.08684	5.8
193.04944	2.0
203.56799	1.8
223.06038	4.3
241.07074	6.9
245.13791	2.8
259.08191	4.3
275.14853	2.9
277.09149	2.6
293.96088	1.3
294.11945	2.3
295.10184	2.0
442.21146	3.2
443.18222	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	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83670	2.0
53.03931	5.2
55.01858	8.7
55.05505	24.5
55.55314	1.9
56.05028	11.8
57.03428	18.5
57.07069	11.0
59.04978	2.8
60.04514	8.4
61.02907	9.0
67.05495	41.5
69.03418	42.0
69.07057	37.8
71.01362	2.6
71.04984	4.9
71.08604	3.6
72.02672	1.6
73.02908	51.6
74.06067	34.1
79.05480	26.2
81.03403	7.3
81.07047	98.7
82.06577	1.7
82.07365	2.6
83.04965	5.1
83.08606	11.2
84.04492	2.3
85.02892	100.0
85.06509	5.2
87.04463	10.6
91.03951	4.5
91.05463	13.6
93.07032	42.7
94.06569	2.1
95.04956	8.3
95.08591	77.6
97.02879	55.9
97.06512	7.7
97.10155	10.7
99.04418	5.2
99.08103	4.3
102.05537	20.1
103.03881	2.4
105.07020	17.0
107.08580	40.5
109.02847	9.7
109.06487	6.3
109.10138	49.6
110.10434	2.7
111.04432	8.5
111.08069	3.6
111.11695	7.2
115.03910	36.3
115.45207	1.9
117.06985	2.6
119.08566	19.9
120.06564	79.3
121.06503	4.8
121.10126	34.9
123.11687	31.0
125.05977	8.2
125.09599	3.3
127.03894	29.1
127.07508	2.0
129.06992	2.2
131.08540	6.4
131.94174	1.9
133.04950	26.8
133.10077	13.3
135.08005	4.4
135.11679	18.1
137.09570	2.9
137.13229	11.4
138.09071	4.6
139.07487	2.1
139.11176	3.1
145.04939	44.4
145.10094	7.1
147.11650	10.7
149.09625	4.9
149.13249	20.0
150.07565	2.2
151.07568	2.1
151.11160	4.5
156.10185	2.9
157.06543	3.3
159.11700	3.9
161.09599	3.5
161.13184	9.1
163.05997	18.4
163.11179	6.5
163.14793	14.1
165.09099	12.3
165.12756	2.7
166.09398	2.9
167.01550	2.8
167.10577	4.9
173.04634	2.4
173.13229	6.1
174.05481	11.9
175.11153	2.6
175.14767	4.8
177.12743	5.2
177.16409	7.5
181.12131	2.5
185.13242	2.0
189.16415	3.6
193.12198	2.1
195.01070	8.4
201.04156	4.8
205.12178	2.0
205.19618	2.2
209.40263	2.0
213.16502	2.2
218.08527	2.0
223.05986	3.5
234.07605	2.9
241.07005	6.2
249.00478	2.4
259.07867	2.7
259.24115	4.2
269.22714	3.5
277.09320	2.4
277.25302	6.3
287.23526	4.4
293.19501	2.7
294.99469	2.2
295.10046	2.8
305.24680	5.3
424.30545	20.8
442.09445	4.6
442.24652	11.4
442.31616	10.8
443.16684	2.7
443.26260	2.8
452.89349	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	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01869	8.9
57.03428	18.1
57.07073	2.1
59.04966	2.1
61.02919	18.3
69.03421	30.5
69.07074	2.4
69.18334	7.2
70.49394	1.4
71.01346	3.4
71.04974	1.7
71.08609	1.7
73.02907	66.5
78.64700	1.4
80.11752	1.6
81.03397	4.5
85.02893	100.0
87.04473	3.3
91.03950	4.1
97.02251	2.8
97.02879	48.7
98.03209	1.6
99.04445	4.4
106.93186	1.5
109.02863	8.5
115.03915	22.2
127.03899	31.2
133.04947	34.4
145.04942	50.5
150.07620	2.8
163.05994	22.4
183.32645	1.5
199.05994	2.6
210.93060	1.4
217.06918	1.4
223.05949	5.9
226.53827	1.4
241.07141	4.5
259.08179	4.7
264.06433	1.5
293.19495	2.8
442.24963	32.1
443.25146	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83670	2.0
53.03931	5.2
55.01858	8.7
55.05505	24.5
55.55314	1.9
56.05028	11.8
57.03428	18.5
57.07069	11.0
59.04978	2.8
60.04514	8.4
61.02907	9.0
67.05495	41.5
69.03418	42.0
69.07057	37.8
71.01362	2.6
71.04984	4.9
71.08604	3.6
72.02672	1.6
73.02908	51.6
74.06067	34.1
79.05480	26.2
81.03403	7.3
81.07047	98.7
82.06577	1.7
82.07365	2.6
83.04965	5.1
83.08606	11.2
84.04492	2.3
85.02892	100.0
85.06509	5.2
87.04463	10.6
91.03951	4.5
91.05463	13.6
93.07032	42.7
94.06569	2.1
95.04956	8.3
95.08591	77.6
97.02879	55.9
97.06512	7.7
97.10155	10.7
99.04418	5.2
99.08103	4.3
102.05537	20.1
103.03881	2.4
105.07020	17.0
107.08580	40.5
109.02847	9.7
109.06487	6.3
109.10138	49.6
110.10434	2.7
111.04432	8.5
111.08069	3.6
111.11695	7.2
115.03910	36.3
115.45207	1.9
117.06985	2.6
119.08566	19.9
120.06564	79.3
121.06503	4.8
121.10126	34.9
123.11687	31.0
125.05977	8.2
125.09599	3.3
127.03894	29.1
127.07508	2.0
129.06992	2.2
131.08540	6.4
131.94174	1.9
133.04950	26.8
133.10077	13.3
135.08005	4.4
135.11679	18.1
137.09570	2.9
137.13229	11.4
138.09071	4.6
139.07487	2.1
139.11176	3.1
145.04939	44.4
145.10094	7.1
147.11650	10.7
149.09625	4.9
149.13249	20.0
150.07565	2.2
151.07568	2.1
151.11160	4.5
156.10185	2.9
157.06543	3.3
159.11700	3.9
161.09599	3.5
161.13184	9.1
163.05997	18.4
163.11179	6.5
163.14793	14.1
165.09099	12.3
165.12756	2.7
166.09398	2.9
167.01550	2.8
167.10577	4.9
173.04634	2.4
173.13229	6.1
174.05481	11.9
175.11153	2.6
175.14767	4.8
177.12743	5.2
177.16409	7.5
181.12131	2.5
185.13242	2.0
189.16415	3.6
193.12198	2.1
195.01070	8.4
201.04156	4.8
205.12178	2.0
205.19618	2.2
209.40263	2.0
213.16502	2.2
218.08527	2.0
223.05986	3.5
234.07605	2.9
241.07005	6.2
249.00478	2.4
259.07867	2.7
259.24115	4.2
269.22714	3.5
277.09320	2.4
277.25302	6.3
287.23526	4.4
293.19501	2.7
294.99469	2.2
295.10046	2.8
305.24680	5.3
424.30545	20.8
442.09445	4.6
442.24652	11.4
442.31616	10.8
443.16684	2.7
443.26260	2.8
452.89349	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	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18265	1.2
52.54010	1.5
53.03934	1.4
55.01868	7.7
55.05495	1.6
57.03430	14.8
59.04979	1.3
59.56344	1.2
61.02917	14.5
68.34000	1.2
69.03054	2.6
69.03419	36.9
69.07079	1.7
69.32926	6.3
71.01343	3.8
71.04987	2.2
73.02908	68.1
78.19624	1.3
78.88107	1.4
81.03396	5.4
81.07042	3.1
85.02892	100.0
86.09688	1.8
87.04457	5.3
91.03947	6.8
91.05466	2.7
95.08605	3.1
97.02881	53.4
99.04448	4.8
103.03953	2.0
105.07014	1.4
107.08495	1.6
109.02856	8.7
109.10107	1.9
115.03918	25.8
121.10167	1.8
123.77444	1.2
125.72762	1.5
127.03896	34.1
133.04959	31.5
133.10068	1.8
145.04944	55.7
150.07597	2.3
163.05981	19.4
165.09077	9.5
166.09413	2.0
193.04933	1.4
199.05995	1.7
212.76709	1.3
219.66357	1.2
223.05963	6.4
241.06935	6.2
259.07993	6.3
442.25601	1.8
442.33838	6.3
443.13074	2.2
443.22333	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
53.03939	2.9
53.09214	1.4
55.01860	3.7
55.05504	18.8
56.05030	12.3
57.07072	5.1
57.44785	1.4
57.67038	1.3
57.80149	1.3
58.44830	1.3
59.04978	1.7
67.05495	40.2
69.03421	4.4
69.07059	34.3
69.07439	1.8
69.18103	6.1
71.04978	3.5
71.08627	2.4
73.08131	1.3
74.06073	40.5
79.05488	19.1
79.57273	1.3
81.07043	100.0
82.07368	2.4
83.04969	8.1
83.08594	13.0
84.04504	2.4
84.08136	1.8
85.06543	7.5
85.10156	1.7
91.05441	9.1
93.07033	35.7
95.04982	6.7
95.08594	77.8
97.06525	5.0
97.10165	10.4
99.08060	7.9
102.05523	20.0
105.04462	1.6
105.07008	16.4
107.04958	1.6
107.08578	44.2
108.08931	1.6
109.06510	5.5
109.10142	58.7
111.04441	8.8
111.08076	4.1
111.11685	6.5
113.06042	2.5
113.09646	1.6
117.06992	2.8
119.08578	14.0
120.06563	89.0
121.06465	3.5
121.10127	35.4
121.10970	2.0
123.08045	2.4
123.11691	30.0
125.05965	9.3
125.09642	3.5
127.11162	2.3
129.07048	1.3
131.08553	3.4
133.10106	10.5
135.08011	3.6
135.11664	21.3
137.09584	4.0
137.13237	9.4
139.07553	1.9
143.08522	1.8
145.10118	5.0
147.08020	1.4
147.11642	8.2
149.09685	1.7
149.13228	22.0
151.11208	2.1
151.14679	1.7
153.09129	2.7
155.52370	1.3
157.10135	2.0
159.11705	5.7
161.09612	2.8
161.13190	7.1
163.11162	2.3
163.14818	11.6
165.09068	2.6
167.10681	2.6
171.11729	2.0
173.13206	3.0
175.11191	1.9
175.14824	5.9
177.12717	3.3
177.16371	6.7
181.12175	3.3
189.16417	4.1
191.17909	1.5
195.13785	2.2
199.14821	1.7
203.17946	4.1
205.19533	3.5
213.16364	2.6
223.20593	2.4
245.22577	1.6
259.24255	3.9
269.22583	3.8
277.25250	6.3
287.23660	4.9
305.24710	6.5
401.33438	1.3
424.30469	13.7
442.13815	2.0
442.25534	1.5
443.18985	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	443.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41546	1.7
70.06583	0.4
74.76605	0.3
85.02912	0.4
97.02969	0.3
149.89075	0.3
158.74214	0.3
168.06642	0.5
189.09213	0.3
269.57614	0.3
270.60956	0.4
290.98199	0.4
299.07434	1.0
317.84326	0.4
341.08316	1.3
383.09387	3.0
443.11545	100.0
444.11859	6.3
444.17563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66217	0.3
54.06845	0.3
55.96896	0.4
61.12393	0.4
69.07055	0.4
70.06606	0.4
70.79255	0.7
72.08132	0.6
74.00784	0.4
85.02890	0.8
86.79990	0.4
98.23353	0.5
114.48771	0.3
127.17982	0.4
137.02148	0.4
164.65071	0.4
168.06534	0.9
203.01173	0.4
273.71158	0.4
281.06332	0.5
299.07516	1.0
329.08359	0.5
341.08365	1.1
352.05606	0.4
383.09509	2.8
443.11557	100.0
444.11893	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96355	2.3
56.96674	6.3
67.05618	0.5
70.06345	0.7
70.06686	0.7
70.94402	0.9
71.95387	0.6
72.65556	0.5
81.83977	0.5
83.17228	0.5
98.96671	1.8
98.97743	57.3
98.98449	2.1
100.11366	1.0
100.99940	0.6
105.90479	0.5
109.10301	0.7
116.97881	5.3
116.98798	45.9
123.11879	0.5
134.99844	21.6
139.99435	0.6
140.00412	2.2
152.56323	0.6
153.00899	2.4
158.01392	1.2
158.08174	0.6
167.00107	0.6
190.02728	1.3
192.98221	0.6
204.24821	0.6
205.04938	4.1
208.04088	0.6
210.99364	1.7
224.00032	0.7
228.98146	0.9
237.00937	0.8
246.99364	2.3
251.99380	4.1
263.99411	5.1
265.00143	14.8
266.00949	1.3
270.00580	1.4
273.84158	0.6
282.00391	3.3
283.01230	7.9
287.99429	2.5
288.02133	0.6
291.01944	0.6
295.01395	0.7
303.01685	15.0
303.04861	0.9
304.19473	0.8
305.03378	1.2
306.00375	5.2
321.02768	47.7
322.03445	1.3
323.04547	0.7
339.03830	5.7
344.04373	2.9
350.08301	1.6
359.07928	1.5
365.10718	1.0
368.09293	11.6
377.09109	0.9
383.11661	8.2
386.10364	8.2
424.45123	0.6
425.12650	100.0
426.13046	6.4
443.13666	19.3
444.13669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20256	0.7
56.96555	13.3
65.38623	0.8
69.75973	0.9
69.76324	2.5
79.17442	0.8
80.45222	0.7
81.34845	0.8
81.71957	0.9
93.06953	0.9
94.81918	0.8
98.97575	15.8
100.11234	1.3
116.98611	13.7
134.99644	6.8
149.13132	0.9
153.78992	0.8
168.26642	0.9
170.64201	0.8
192.98103	2.5
197.01190	0.9
205.05008	1.0
210.99150	3.4
218.99629	1.6
220.00371	1.3
228.97974	2.2
229.98935	1.3
237.00696	2.6
238.01422	4.4
241.01744	1.1
246.99164	4.3
247.99895	3.0
251.99411	3.2
255.03351	1.4
256.02493	1.3
259.02731	5.6
260.03665	1.1
261.98035	1.1
263.99323	1.1
265.00153	41.3
266.00900	24.3
267.01572	1.7
270.00513	2.1
272.03537	1.8
273.04337	4.8
274.04919	1.4
277.00156	2.5
277.03537	2.1
278.01028	1.0
279.01712	4.1
281.03214	1.4
283.01175	19.4
284.01974	14.9
287.05890	1.2
288.06808	1.7
291.01962	1.3
291.05508	2.6
295.01373	1.8
297.02704	1.6
300.02979	6.9
301.03815	3.8
303.01669	3.4
303.05368	3.2
304.02661	2.3
305.03156	4.1
306.04123	8.8
306.07501	1.3
313.07559	1.1
315.05383	4.4
316.06088	2.1
318.04050	9.4
319.04837	2.8
320.05789	1.8
321.02789	7.9
321.06430	2.4
322.03580	2.4
323.04291	1.5
324.05151	6.8
331.08478	9.5
332.05374	0.9
333.06497	6.4
334.07159	10.8
336.05075	6.0
339.04303	1.0
341.06052	1.5
349.09570	6.2
351.07590	1.8
352.08261	13.9
366.07654	2.1
368.09158	11.2
381.10034	1.8
383.11536	23.9
384.08347	5.8
386.10284	22.0
387.10526	1.2
399.11206	7.8
401.12650	70.7
402.08981	1.7
402.13187	3.4
404.11349	12.6
409.11938	1.7
419.13702	6.4
424.14346	2.9
425.12631	3.5
443.13702	100.0
444.14011	6.3
461.14813	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	443.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27813	0.6
53.03937	1.2
55.01860	6.4
56.05038	0.6
57.03421	1.3
59.04987	2.1
61.02912	1.0
69.03420	11.2
70.02944	0.6
70.06583	4.0
70.76118	0.9
71.04980	1.5
72.08142	2.2
73.02910	1.0
74.03279	0.7
74.06100	0.6
76.71392	0.8
81.03414	3.8
81.07055	0.9
84.08151	0.6
85.02895	10.4
86.03212	1.3
86.09704	4.1
87.04451	5.0
91.03915	0.9
93.07018	0.6
97.02879	14.0
97.06501	0.6
98.03195	0.7
99.04438	1.8
102.07005	0.6
103.05453	1.0
107.04898	0.8
109.02885	4.1
111.04481	0.7
115.03916	100.0
116.04269	1.5
116.07086	1.9
118.42169	0.6
119.08561	0.7
127.03898	6.4
133.04951	10.2
134.06038	0.7
145.04953	5.4
150.05484	2.0
163.06042	0.8
163.07498	1.1
176.07069	1.5
187.05984	1.6
192.06499	1.9
199.18071	0.7
241.07108	1.1
247.11819	1.0
259.07965	5.8
277.09158	1.5
279.34192	0.7
280.11884	1.3
281.12042	1.4
315.38788	0.7
426.13562	1.1
443.14700	1.8
443.19052	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	443.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27813	0.6
53.03937	1.2
55.01860	6.4
56.05038	0.6
57.03421	1.3
59.04987	2.1
61.02912	1.0
69.03420	11.2
70.02944	0.6
70.06583	4.0
70.76118	0.9
71.04980	1.5
72.08142	2.2
73.02910	1.0
74.03279	0.7
74.06100	0.6
76.71392	0.8
81.03414	3.8
81.07055	0.9
84.08151	0.6
85.02895	10.4
86.03212	1.3
86.09704	4.1
87.04451	5.0
91.03915	0.9
93.07018	0.6
97.02879	14.0
97.06501	0.6
98.03195	0.7
99.04438	1.8
102.07005	0.6
103.05453	1.0
107.04898	0.8
109.02885	4.1
111.04481	0.7
115.03916	100.0
116.04269	1.5
116.07086	1.9
118.42169	0.6
119.08561	0.7
127.03898	6.4
133.04951	10.2
134.06038	0.7
145.04953	5.4
150.05484	2.0
163.06042	0.8
163.07498	1.1
176.07069	1.5
187.05984	1.6
192.06499	1.9
199.18071	0.7
241.07108	1.1
247.11819	1.0
259.07965	5.8
277.09158	1.5
279.34192	0.7
280.11884	1.3
281.12042	1.4
315.38788	0.7
426.13562	1.1
443.14700	1.8
443.19052	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	443.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
61.90540	1.6
67.05500	2.1
69.03422	1.8
69.07072	1.9
79.05482	3.1
81.07047	3.8
85.02917	1.7
91.05472	2.4
93.07054	2.3
95.08591	3.4
97.06559	1.3
105.07021	1.6
107.04952	3.1
107.08577	2.6
109.10095	2.8
115.03680	1.4
115.05408	2.2
117.07027	1.8
119.08591	1.8
119.18825	1.4
121.02784	1.3
121.10112	1.9
125.05912	1.7
129.06992	1.7
137.05974	1.7
141.06961	3.4
145.10059	1.5
157.06485	3.8
158.07178	2.8
161.05946	2.0
165.09093	11.3
166.09482	3.0
167.07079	5.2
169.06447	1.9
170.07127	1.9
186.06758	4.2
186.33812	1.4
187.07455	1.6
191.08514	2.8
200.08284	3.1
201.09122	3.7
202.07782	2.6
203.08620	2.6
205.04907	3.8
205.06628	2.0
205.08418	2.1
207.08163	2.0
208.08900	1.5
215.08621	2.0
218.07265	3.0
219.08078	8.2
220.08836	3.7
229.08565	13.9
230.06992	1.7
231.08043	5.3
231.10184	2.0
233.09654	3.9
234.06723	1.6
234.10405	1.9
235.07437	1.8
235.11076	2.0
237.09084	2.0
245.09581	2.3
246.06708	1.8
247.07491	10.9
248.08354	8.6
249.09056	3.2
250.06215	2.1
251.06976	1.5
251.10590	2.1
258.06876	2.0
259.07547	3.3
261.05655	1.5
261.09131	5.4
262.09781	4.1
263.06982	2.1
263.10602	7.2
264.07712	2.4
265.08530	4.0
271.04297	1.5
275.06998	5.5
276.07764	7.6
277.05109	2.0
277.08478	4.5
279.10068	1.9
286.11005	1.5
289.08530	3.3
290.09363	4.7
291.10117	12.2
292.07211	6.0
293.08072	7.0
294.08597	2.5
305.08063	3.2
305.11624	2.7
306.08679	2.0
307.06238	1.8
307.09396	8.1
308.10349	5.5
309.11133	1.9
310.08350	1.7
315.03159	4.1
319.09573	9.0
320.06635	1.9
320.10202	1.8
321.07489	5.6
322.08292	2.4
323.12714	6.7
325.10794	1.6
335.09094	4.3
336.09903	4.9
337.10672	8.0
338.07721	3.3
339.12378	3.3
350.11301	2.2
351.12195	13.4
352.12631	2.4
353.10239	11.2
354.10410	1.6
368.12494	15.5
369.12784	1.9
383.14853	100.0
384.15164	7.7
443.12805	18.7
444.13239	2.5
456.36874	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1685
Annotation	4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
50.26667	0.4
51.32921	0.5
52.64465	0.5
55.05502	1.1
62.86451	0.5
71.08636	1.5
79.05496	0.6
81.07043	0.9
82.06556	0.7
83.04971	0.6
83.08622	1.3
85.02919	0.5
86.09685	0.7
88.11266	1.9
90.25957	0.6
91.05511	0.6
91.47431	0.6
93.06982	0.9
95.04959	0.7
100.07588	0.8
100.11264	2.7
101.41499	0.5
102.10056	0.5
103.05415	0.6
105.06999	1.2
105.09155	0.6
106.05697	0.6
106.07310	0.6
107.04940	0.7
107.08552	0.6
109.06512	0.7
111.04433	1.6
115.05379	0.6
119.08560	0.6
121.06391	0.6
125.05999	0.6
129.07039	0.6
129.10347	0.6
137.06000	1.1
149.09700	0.6
151.07530	1.8
153.05421	0.9
161.05930	0.7
165.09157	0.9
167.07014	9.8
170.15381	4.8
171.15767	1.3
172.05196	0.5
175.07529	4.0
182.15359	3.5
183.15791	0.7
187.07500	1.6
198.14911	3.9
199.07484	0.6
199.15268	1.5
209.16565	0.8
210.14908	3.0
211.15244	1.0
217.04678	4.7
228.15952	1.1
232.07033	57.3
233.07686	4.5
235.07652	0.6
235.79016	0.7
239.09245	1.2
245.07813	0.9
245.18604	0.9
247.07579	0.8
249.09160	1.2
250.08115	0.7
265.08569	0.6
291.10345	1.0
297.25485	1.0
301.89890	0.5
305.08347	0.7
306.08640	0.6
319.09991	0.7
321.11179	0.9
324.13687	0.7
337.21271	1.7
339.12262	8.7
340.12750	1.5
347.78351	0.6
351.12170	2.2
352.12854	0.7
355.22189	0.6
356.22617	0.7
381.13049	0.8
424.31683	1.6
425.32074	1.8
442.32629	1.7
443.16724	100.0
443.33450	2.0
444.17130	7.3
463.60303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1679
Annotation	4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
51.64327	0.7
55.05497	2.4
56.34126	0.7
57.02394	0.6
68.62684	0.7
69.07038	1.1
71.08616	1.6
75.25558	0.8
79.05484	0.7
79.52370	0.7
81.07049	2.1
83.08597	0.7
85.06541	0.8
86.09705	0.9
88.11238	1.0
91.05473	1.6
95.08593	1.9
100.11260	3.5
101.35758	0.7
103.05507	0.7
105.07003	1.5
109.10202	0.9
111.04448	1.8
111.08208	0.8
118.32671	0.8
120.06561	1.7
121.10091	0.8
128.07065	0.9
147.11621	1.0
149.13309	0.7
151.07521	1.7
153.05493	1.0
159.07996	0.9
160.05264	0.8
161.05954	1.0
165.09106	2.4
167.07031	8.3
170.15372	4.6
171.15788	1.7
175.07533	4.7
179.07336	0.7
182.15398	3.3
187.07558	1.9
198.14920	3.1
199.07359	0.8
199.15262	0.9
210.14902	2.4
211.15240	1.1
217.04704	5.3
219.08037	1.0
228.15958	0.9
232.07037	60.4
233.07655	3.6
239.09221	0.8
245.07948	1.4
264.07797	1.0
265.08603	1.2
273.09518	1.0
277.08572	1.0
293.08087	1.1
321.11356	0.9
339.12204	8.1
340.12903	1.3
351.12378	2.0
355.21783	0.8
377.63150	1.0
424.31970	1.7
425.31818	1.5
442.32629	1.5
443.16763	100.0
443.33313	1.8
444.17273	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	443.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25556	0.7
54.43489	0.7
55.05508	1.0
57.87328	0.7
62.88678	0.7
64.12637	0.6
65.60757	0.7
67.05486	1.5
67.39329	0.8
69.03450	0.8
69.07069	1.2
69.40681	3.7
73.68761	0.7
79.05499	1.5
81.03374	1.0
81.07043	2.1
85.02891	2.2
86.09694	0.9
93.07073	0.9
95.08584	1.8
97.97360	0.7
105.06987	1.3
109.10165	2.0
121.10142	1.2
133.10153	1.5
157.10095	0.9
162.05495	1.9
165.09048	3.8
169.04848	0.8
195.13545	3.3
227.05196	1.1
281.17343	1.7
357.18781	8.6
399.19849	44.1
400.20145	2.8
411.89056	0.9
443.18808	100.0
444.19101	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	443.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62226	1.0
67.05502	1.9
69.07067	1.8
71.41953	0.8
71.48064	1.1
72.57166	0.9
74.81100	1.0
79.05482	1.9
81.07044	3.3
86.09724	1.5
91.05483	1.0
91.98499	0.9
93.07049	1.1
93.55305	0.9
95.08607	1.6
95.34352	0.8
105.06981	1.3
107.08580	1.7
109.10151	1.8
109.79076	1.0
118.38867	1.3
121.10131	1.6
124.26458	0.9
130.04977	1.0
131.81799	1.0
133.67015	1.0
135.11676	1.2
137.06030	1.3
139.88573	0.9
151.07492	1.2
167.06979	1.3
172.57253	0.9
177.16377	1.4
195.13477	1.7
216.74864	1.0
227.05344	1.1
245.06224	2.6
271.04062	1.0
289.05273	9.5
318.70642	1.0
339.12311	1.3
357.18814	3.6
365.96558	1.0
399.19809	33.0
400.20349	1.8
443.18805	100.0
444.19421	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	443.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.4
60.05644	7.2
69.03424	1.0
69.07062	9.3
69.15855	2.4
70.06586	20.8
70.77773	0.3
71.05001	0.5
72.08151	1.5
75.21106	0.4
79.05437	0.5
81.07033	0.8
85.02881	1.2
86.09697	100.0
87.10026	1.6
91.05459	0.4
93.07027	0.9
95.04943	0.9
95.08612	0.4
97.02859	0.5
97.06479	0.4
100.52621	0.3
109.06572	0.5
112.08707	3.8
113.07122	0.5
114.09155	0.4
114.10276	0.7
114.74115	0.4
115.08688	3.8
116.07083	8.0
127.03951	0.6
128.10704	16.4
130.09747	2.8
132.04419	2.0
133.09676	1.0
137.09647	1.1
145.04953	0.4
156.10204	0.8
156.11310	8.7
157.10785	0.6
158.09236	6.9
175.11887	18.5
210.61783	0.4
215.07030	1.0
226.15370	0.5
248.13539	0.4
263.16449	1.5
269.18600	1.1
271.17618	9.6
271.20364	0.7
288.20294	0.8
425.28714	0.7
443.29712	87.6
444.29929	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	443.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54365	2.0
55.05494	2.9
62.39871	2.5
67.05496	6.2
69.07056	6.6
76.90817	2.0
81.07039	9.7
93.07052	3.8
95.08592	9.3
95.63627	2.3
98.22707	5.3
107.08574	3.1
109.10125	4.1
119.08550	4.1
121.10097	3.0
123.11696	4.2
137.09604	9.3
149.09567	11.4
163.11151	6.2
165.09093	100.0
166.09395	3.1
170.28552	2.3
177.09116	5.8
191.10603	6.8
205.12198	17.5
228.23892	2.1
319.25293	2.5
353.14285	2.3
443.34714	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
54.86359	1.0
55.05501	16.3
57.07069	7.9
59.04989	2.3
63.75557	1.1
65.03934	3.3
66.31532	1.1
67.05495	41.8
67.57669	0.9
69.03418	1.2
69.07056	32.2
70.06586	1.4
71.04985	28.6
71.08622	3.7
71.20427	1.2
72.05286	1.1
73.06553	4.0
77.59953	1.0
78.17401	1.2
79.05486	27.4
81.07047	85.7
82.07398	1.9
83.08607	15.9
85.06516	1.9
87.08127	1.1
91.05470	21.0
93.06431	2.4
93.07034	59.4
95.04948	5.1
95.08594	89.7
96.08928	1.9
97.06536	2.4
97.10167	6.8
99.08091	9.7
105.04515	1.7
105.07018	32.2
106.07368	1.2
107.04946	1.0
107.08581	72.2
108.08906	1.7
109.06527	2.6
109.10140	100.0
110.10490	1.1
111.08072	2.8
111.11707	2.9
113.09657	2.9
117.07004	3.9
119.08562	38.0
120.08903	1.1
121.10128	53.1
122.10541	1.3
123.07982	1.3
123.11697	34.7
124.11973	1.6
125.09649	2.9
125.13229	1.6
127.11176	36.6
128.11517	1.3
129.07010	1.3
131.08572	10.2
132.08969	1.0
132.28729	1.1
133.10112	28.9
135.08066	1.0
135.11671	59.1
136.12029	1.8
137.09601	1.6
137.13234	12.3
139.11241	1.8
141.12744	5.7
144.09286	1.2
145.10118	15.2
147.11667	30.6
149.13231	41.9
150.13649	2.0
151.11165	2.1
151.14786	3.0
153.12732	21.0
153.13857	2.0
155.14325	1.3
157.10092	2.6
159.11674	20.4
161.13226	25.5
163.14798	27.5
164.15250	1.3
165.09105	3.9
165.12776	2.9
167.14331	5.1
171.11646	3.0
173.13223	10.6
173.14615	1.4
175.14815	16.6
177.16351	17.6
179.14305	2.4
181.15884	3.8
185.13174	1.3
187.14764	10.1
189.16321	14.3
191.17928	10.7
193.15813	3.5
195.17415	6.4
195.55476	1.0
199.14775	2.3
201.16379	9.1
203.17958	13.1
205.15788	1.0
205.19482	2.9
207.17575	2.7
209.19057	3.3
211.20613	2.2
213.16412	1.2
215.17905	11.4
217.19505	13.2
219.17368	1.8
221.19002	2.8
227.17931	1.2
229.19470	7.9
231.21107	7.1
233.18906	1.3
235.20544	2.5
243.21144	1.8
245.22675	2.4
247.20645	2.3
255.21216	1.3
257.22632	3.4
258.79697	1.1
259.24173	5.7
261.21783	1.1
271.24161	3.7
275.23697	1.9
277.25119	1.9
282.31750	1.1
285.25739	5.2
289.25375	1.1
303.26767	6.3
317.28354	2.3
339.30524	3.0
341.28238	2.1
343.29877	2.8
345.31528	3.2
357.31393	10.9
383.33264	1.7
425.37888	22.9
426.38190	1.4
443.20462	1.6
443.33786	6.6
443.39362	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	444.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	3.8
68.05027	1.3
69.03418	1.6
70.06594	1.0
71.40575	0.8
73.02893	1.7
73.04738	3.2
84.04488	1.1
84.08095	1.5
85.02878	2.3
91.05793	9.0
91.72496	1.1
97.02886	1.0
98.97579	3.6
109.07663	3.3
115.03944	2.9
116.00199	2.9
116.98669	1.5
118.03553	1.7
121.02850	2.8
123.04098	1.4
127.03909	1.3
128.98605	1.3
130.03465	1.6
133.04961	1.4
134.01176	1.3
141.05084	5.2
142.03462	3.8
143.06743	1.2
144.05055	3.2
146.99655	1.1
149.04439	1.0
149.05664	0.9
155.06650	1.2
156.04970	1.5
159.06134	3.7
160.04587	3.8
161.01151	2.6
161.07820	1.3
167.05507	2.4
167.06725	3.1
169.04729	1.2
169.08220	1.4
170.99629	2.5
175.03796	7.6
177.00890	2.0
178.01021	1.7
181.02885	1.3
183.06125	5.9
185.07689	1.4
186.06120	0.9
187.05684	4.0
189.00650	15.9
193.04881	1.6
195.06151	4.9
196.04558	1.7
197.07690	1.9
199.03847	2.0
200.02316	2.4
201.07231	2.7
202.01042	1.3
202.03879	1.7
203.00734	1.3
205.06760	1.7
206.07817	3.4
207.01743	1.8
207.04356	1.1
208.02791	1.7
210.06201	1.1
211.03809	1.8
211.05644	2.8
212.02251	3.9
213.07166	18.4
214.07314	1.4
215.02315	1.5
219.02011	2.9
220.02203	3.2
221.01674	1.9
222.01901	2.8
222.07275	2.5
223.05696	2.0
224.02400	1.3
224.08835	6.8
225.07216	3.4
226.03722	3.5
226.05772	1.2
227.03271	2.0
228.01776	1.4
229.04872	2.8
230.03363	3.0
231.01941	1.4
231.08282	2.3
232.02109	1.8
235.03783	1.3
238.06775	1.1
239.05046	3.0
239.65521	1.1
241.04872	1.8
242.03275	1.4
243.02048	1.8
243.06473	3.6
244.02159	3.7
245.01913	1.9
245.04477	3.4
246.02020	1.8
250.06638	1.8
252.08226	5.5
253.04761	5.2
254.03197	2.6
257.01761	1.4
257.06235	1.4
258.03934	1.7
259.06006	3.5
262.03159	3.8
263.02936	2.1
263.06915	1.2
264.03116	1.9
266.03293	1.3
268.07864	2.2
269.04456	3.3
270.09299	4.9
271.05911	7.5
272.04358	1.9
273.03873	1.9
275.98080	1.3
278.06137	1.1
279.06516	3.0
282.03470	1.5
284.04620	1.3
286.07092	1.5
287.05411	9.3
289.07007	10.3
294.03763	1.6
295.05884	1.7
296.04266	1.6
296.07300	14.6
297.04141	1.8
299.97818	2.4
300.04749	4.0
301.97662	1.3
305.07065	1.4
306.04559	1.1
306.08002	1.0
307.05923	9.8
309.07733	2.4
311.04593	2.2
312.04819	10.1
314.08447	7.9
315.04889	11.0
316.05334	1.7
317.98874	2.0
318.05865	1.3
318.98572	2.0
319.06009	2.0
319.98798	1.6
323.05505	2.8
324.05045	2.3
325.07053	4.0
330.05826	3.0
332.96567	1.5
333.05969	8.1
337.06970	4.5
341.02731	1.2
341.06516	4.4
342.05991	2.2
342.99023	1.2
343.08026	1.1
347.04855	1.3
348.07007	4.2
351.04999	3.1
353.06436	2.0
355.08121	1.9
359.02817	4.2
359.07309	2.2
369.06003	19.3
370.06039	1.7
381.06030	2.9
387.07089	7.3
399.07126	3.9
402.96494	1.4
408.06885	2.8
426.08041	21.0
427.07242	3.3
444.09195	100.0
445.09305	10.6
467.19308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.5
52.86229	2.3
53.03933	4.9
55.01863	6.1
55.05500	2.3
63.60270	1.9
65.03917	7.0
67.05497	12.9
69.03416	2.9
69.07056	4.1
69.52209	6.6
69.87130	2.1
77.03903	3.7
79.01846	2.3
79.05479	93.3
79.05945	5.0
81.03413	23.7
81.07044	4.9
81.22767	2.1
85.02876	2.9
86.09655	3.2
87.87395	1.8
89.03871	2.5
91.05398	4.3
91.05876	2.5
93.03423	3.5
93.07035	3.5
93.84030	1.9
95.04958	41.5
95.08582	4.0
97.02872	13.8
97.06519	2.7
98.22640	3.0
103.05415	4.4
105.03379	16.8
105.04456	4.9
105.07001	4.2
107.04932	4.7
107.08555	3.3
109.10136	3.3
115.05442	8.4
117.03349	2.4
117.06995	6.8
118.15553	2.6
119.04903	3.8
119.08538	2.4
121.02092	2.3
121.02835	13.7
121.06506	2.5
123.03503	4.9
123.04409	100.0
124.04778	2.4
128.06194	4.7
129.06990	12.1
131.04912	8.7
131.08554	3.3
132.05678	2.5
133.02827	69.6
133.06477	5.8
134.03204	2.3
135.04405	5.6
141.06937	3.3
143.04901	4.3
145.02846	3.9
145.06493	10.7
145.10063	2.4
147.04384	9.0
147.07976	2.3
149.02322	98.5
149.65031	2.2
150.02664	2.3
151.03882	74.9
155.04887	4.6
157.06436	23.8
157.10081	2.7
158.07245	3.9
159.04411	22.2
159.08008	3.7
161.02319	5.2
161.05981	9.5
163.03870	30.9
171.04361	4.3
173.02299	5.1
173.05951	27.3
175.07460	6.1
177.05415	2.0
179.03339	7.4
183.04382	17.2
184.05054	4.1
185.05936	20.1
187.03862	35.8
187.07500	5.6
189.05551	3.5
191.03302	15.0
197.05960	10.1
199.03873	37.5
199.07440	5.2
201.05440	67.8
201.07292	4.1
202.05824	5.3
203.06979	9.1
203.08740	2.6
205.04945	17.7
207.02792	2.7
213.05428	31.9
215.06976	29.5
217.04961	16.5
219.06490	7.4
229.04913	27.4
231.06461	76.8
232.07118	8.6
233.08102	6.5
236.07016	5.2
241.04953	12.0
241.08513	4.9
243.06477	6.0
247.05975	5.8
247.13348	2.4
259.05933	37.9
271.07370	2.6
277.06952	2.3
287.07004	3.5
301.08536	3.3
303.06476	2.7
305.07907	4.3
317.08054	8.6
319.09534	8.5
321.07367	6.0
327.06424	2.7
335.08981	6.0
337.10733	3.0
345.07483	10.7
347.09064	6.5
349.07050	5.0
363.08551	52.8
365.09909	5.0
373.06851	7.1
381.09747	10.1
391.08072	47.6
392.08417	2.9
409.09085	58.6
410.09341	3.5
427.10239	25.2
443.18805	3.6
443.74918	3.1
444.19037	10.2
444.25256	3.0
445.20526	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	444.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.01862	9.3
55.05510	9.9
60.04512	6.0
64.89482	4.1
67.05500	22.9
69.03419	9.2
69.07053	12.1
69.67830	15.3
73.04743	6.4
79.05476	99.0
80.12202	5.0
81.03416	18.8
81.07037	14.5
85.02863	7.1
91.05389	8.6
91.05867	6.4
93.07024	11.2
95.04952	44.0
95.08587	12.4
97.02899	12.8
98.22729	6.5
101.20886	4.9
103.05458	6.8
105.03376	17.2
105.07018	12.6
107.08555	9.7
109.10121	11.3
115.05466	10.0
117.06995	27.6
119.08559	11.8
121.02872	8.4
121.06437	6.6
121.10165	9.5
123.04405	85.7
127.03896	10.0
128.06192	6.9
129.06969	19.8
131.04912	13.9
131.08571	4.9
132.04492	4.6
133.02832	91.7
135.04390	6.0
139.39908	4.0
141.06955	6.7
144.05695	7.8
145.06473	25.8
147.04381	14.9
149.02315	46.4
149.06004	4.4
151.03868	42.2
155.04884	13.0
157.06468	33.0
159.04437	9.8
159.07974	6.7
161.02260	11.0
161.05933	7.1
162.02164	6.4
163.03867	38.8
165.09047	7.7
172.05228	5.4
173.02338	16.7
173.05977	45.3
175.07588	7.8
183.04388	28.7
184.05081	6.8
185.05984	12.1
187.03873	16.3
187.07472	5.2
189.01852	12.3
199.03851	14.8
201.05432	100.0
202.05972	5.7
203.06972	7.6
213.05478	17.3
215.03358	7.9
229.04907	51.0
231.02925	11.4
231.06339	22.3
249.18462	7.3
259.05853	8.9
271.07437	9.4
273.09012	5.3
275.06900	7.0
277.08472	15.7
299.06985	30.2
301.08386	7.7
303.06345	21.9
317.08051	49.4
319.09531	10.7
321.10999	5.0
329.08173	6.1
331.05994	8.6
335.09213	5.5
337.10587	8.5
345.07516	83.2
347.09238	5.4
349.07227	7.2
363.08585	69.3
365.10168	9.1
383.11227	7.9
391.08112	36.1
409.09094	48.2
443.25284	37.3
444.19568	11.3
444.25238	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	444.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	81.2
69.03437	49.7
69.07050	56.3
70.00898	36.5
70.83401	59.0
73.04736	56.2
79.05473	65.9
79.65129	37.2
81.03423	31.7
81.07047	89.9
85.02884	57.7
91.05831	56.1
93.07047	38.6
95.08615	40.2
98.23440	35.1
98.93893	34.6
107.08557	43.7
109.10155	66.2
119.08601	46.0
120.48343	35.9
127.03922	88.2
135.11594	32.8
138.63382	38.7
165.09099	43.2
220.07509	45.5
247.89818	34.9
317.08218	96.9
359.02878	73.7
377.19455	40.9
409.09045	100.0
427.10233	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
54.02901	1.3
55.01872	1.4
55.05501	5.0
57.03423	4.5
57.07071	62.6
59.05000	4.4
59.93709	1.1
61.02928	7.7
69.03423	31.1
69.07053	1.5
69.11041	8.4
70.06592	2.1
71.04987	2.9
73.02928	8.3
73.04757	2.2
73.06531	2.5
81.03403	6.3
85.02892	40.5
85.06532	100.0
86.06857	2.7
86.09686	1.5
91.03925	2.6
91.05815	2.3
91.14100	1.6
91.21548	1.7
97.02879	24.1
99.04449	5.4
101.06020	9.7
109.02866	9.0
115.03907	4.9
115.07544	12.3
121.02831	3.1
127.03899	33.7
129.10213	1.6
133.04915	1.7
133.08586	12.0
144.04242	1.3
145.04947	22.1
150.05344	1.7
169.08525	2.4
176.96245	1.4
186.38170	1.2
211.09599	9.9
229.10672	13.0
247.11742	87.7
248.12119	3.7
248.32553	1.3
296.82492	1.3
322.61517	1.3
325.50293	1.3
359.02872	2.1
445.13007	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.8
55.05491	2.3
56.73994	1.6
57.03427	21.5
57.07063	11.5
59.04993	100.0
61.02913	13.5
67.05504	2.1
68.70241	1.6
69.03424	34.9
69.03792	2.3
69.07042	2.5
70.06580	4.0
71.01344	2.0
71.04983	4.1
72.08158	2.5
73.02908	54.1
73.04732	2.0
75.72147	1.5
76.80534	1.8
79.05483	2.4
81.03403	7.1
81.07064	2.1
84.08135	2.1
85.02894	76.2
86.09692	10.3
87.04449	5.0
91.03955	2.1
91.05770	5.5
95.04965	3.9
95.08586	3.0
97.02880	60.9
97.06509	4.9
98.23411	4.4
99.04433	4.0
103.03954	1.6
109.02866	7.8
115.03899	24.1
115.11191	36.0
121.02816	2.7
121.06478	2.4
127.03903	29.0
129.10173	2.0
133.04944	33.8
133.12224	50.1
135.04471	1.9
137.05923	2.3
139.03931	2.3
145.04935	31.0
150.07553	1.9
151.03952	2.2
163.03926	8.6
163.06003	11.9
189.05434	2.5
193.05016	2.0
205.08530	8.5
223.06012	6.8
231.10118	4.6
241.07048	8.1
249.11157	6.0
259.07910	9.5
295.10220	3.0
359.02875	3.9
409.10965	1.9
426.32269	1.9
444.17828	2.5
444.23312	3.1
445.19180	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	444.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.4
57.03430	18.1
57.07072	13.4
59.04994	100.0
61.02917	12.9
63.33893	1.6
65.27416	1.4
69.03419	32.8
69.07050	1.8
69.56928	1.4
69.82560	4.6
70.06588	4.1
71.01344	4.1
72.08134	2.2
73.02907	61.1
73.04746	2.3
81.03406	5.9
81.07076	1.7
85.02892	80.4
86.09677	9.5
87.04488	2.9
91.03925	1.7
91.05775	4.6
93.07067	2.2
95.04958	2.3
97.02878	64.3
97.06564	1.7
98.03244	1.7
98.22767	1.9
99.04443	5.5
101.41421	1.3
103.03911	3.2
104.58098	1.4
109.02867	7.8
115.03906	26.5
115.11188	37.8
120.95978	1.5
121.02835	3.0
127.03915	24.0
133.04953	35.6
133.12224	61.9
145.04929	32.9
147.04411	2.9
163.03848	4.4
163.05991	13.2
193.05035	1.6
205.08592	4.5
223.05956	6.4
231.10248	3.6
240.42493	1.5
241.07060	6.9
252.71965	1.6
257.96341	1.7
259.07971	9.5
265.16559	2.1
277.09204	2.1
295.10284	2.4
304.12335	1.6
359.02673	3.1
384.13687	2.1
466.43744	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12310	12.5
59.40808	11.3
60.42825	15.7
67.05480	31.2
69.07075	11.6
70.07552	29.7
70.07888	14.7
71.04969	12.9
73.04715	13.2
75.96514	11.5
76.41872	11.3
77.32968	12.8
78.52018	13.1
79.05501	23.3
81.07047	44.7
91.05795	15.6
95.08637	14.9
98.23389	16.4
99.04456	100.0
105.06998	19.3
117.05487	31.1
119.08528	23.2
121.02880	25.3
130.39896	12.6
135.11621	13.3
145.10098	16.9
157.97856	15.1
159.11786	19.8
176.60396	15.4
190.52058	13.3
195.13802	25.7
207.55844	12.6
213.14832	21.4
228.39323	12.0
250.19025	13.2
275.20032	49.6
307.04599	18.6
322.90088	12.6
359.02472	13.6
450.92886	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	444.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.3
57.07068	61.0
58.07374	1.0
62.05765	1.1
67.05485	1.2
69.07045	2.1
69.95876	1.1
70.06586	1.2
71.08603	1.0
73.34364	1.0
77.03952	1.7
79.05463	1.3
81.07030	1.7
87.04461	3.4
88.07607	1.9
89.06016	65.2
90.10667	0.9
91.05444	8.5
93.07030	15.3
95.04962	7.9
95.08582	1.7
101.55675	1.1
103.05445	4.3
105.04505	2.8
105.06996	1.2
107.07051	1.7
107.08596	2.3
109.10212	1.1
117.06980	1.1
118.07780	3.7
119.04914	3.0
119.08584	3.9
121.06483	72.8
122.06750	1.5
122.83831	1.0
126.99895	0.9
130.08701	1.1
132.10188	1.5
133.07574	1.9
133.08580	37.5
135.08047	2.3
139.07527	1.4
146.11694	1.0
147.08038	9.3
149.09604	2.3
150.06720	1.9
159.11731	2.0
163.11217	2.1
165.09085	31.6
166.09436	4.2
177.11247	8.4
177.12634	1.7
208.40186	1.1
209.11688	16.7
210.11969	1.2
227.12721	5.5
233.18935	13.1
253.14374	1.2
268.91879	1.0
271.15329	3.0
277.21594	13.8
293.23331	1.2
300.29044	1.9
315.17966	100.0
316.18280	5.2
321.24197	3.1
359.02777	1.3
359.19406	2.3
382.36835	2.3
427.30475	22.1
428.30612	2.0
444.40509	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	445.0949
Annotation	Phe4Cl-His-OH
Peak:m/z	Relative Intensity
60.37501	0.4
69.77502	1.3
73.04745	3.1
79.79113	0.3
91.05779	5.5
98.97554	0.6
121.02835	2.9
123.22144	0.4
125.21857	0.5
162.18089	0.4
167.05528	3.3
187.02153	0.6
225.04280	1.0
255.02136	0.4
269.22433	0.4
281.06354	1.0
294.26297	0.4
299.07410	3.0
324.98529	0.5
342.99661	0.9
355.06171	2.3
357.08374	0.5
359.02853	3.9
360.02670	0.6
385.07352	0.9
445.09467	100.0
446.09827	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99858	1.6
61.61180	1.2
69.03421	6.0
70.61166	1.5
73.02922	1.7
73.04744	3.9
79.05486	1.2
82.01479	1.7
82.99823	1.3
84.02988	3.6
84.08163	1.7
85.02890	10.1
87.13205	1.5
91.05790	6.2
94.92976	1.5
97.02876	10.8
98.97581	2.1
100.02485	7.2
101.00866	9.5
102.04035	11.8
105.00382	1.3
112.89619	2.2
113.00877	3.6
115.02432	5.2
115.03928	4.1
116.04993	3.6
116.07069	1.3
116.98637	1.6
118.03506	18.7
118.12823	1.4
119.01902	15.6
120.05066	3.0
121.02881	1.3
121.06568	1.6
125.00835	1.5
125.05633	1.5
127.02425	4.9
127.03920	1.7
128.98563	1.7
130.03554	2.1
131.01910	11.2
132.05057	2.8
132.97983	1.9
133.03459	4.5
136.04546	13.2
137.00920	2.6
139.02422	2.7
141.05074	14.1
142.03461	2.8
143.01901	13.8
143.06648	16.3
144.05084	4.0
145.03444	25.2
145.04683	1.9
145.05057	2.0
146.68852	1.2
147.01408	2.2
150.06061	2.1
151.02385	1.5
155.01874	29.5
157.03445	20.3
159.06151	15.2
160.04523	1.7
161.02927	14.3
161.04028	1.3
161.07701	26.5
162.06129	1.6
163.00769	1.6
163.04546	3.2
166.01268	2.2
167.01947	4.2
167.05617	3.9
169.03397	10.8
169.04591	3.2
171.01361	7.2
171.05049	2.6
173.02939	28.0
174.04523	5.4
174.54689	1.6
175.04523	4.5
179.01918	3.5
181.03496	3.7
183.05042	4.0
184.04608	2.7
185.02943	28.8
185.04440	2.6
187.05637	51.0
188.05692	2.8
189.02429	2.9
193.03394	8.6
196.04558	3.2
197.02934	22.0
198.43097	1.3
199.04520	6.2
203.04015	15.2
205.06665	38.2
205.08461	2.4
206.06854	2.7
209.02904	7.8
210.06186	2.3
211.06012	8.7
212.04010	2.5
213.00641	1.6
215.03928	2.1
217.05579	1.5
221.02948	11.8
221.05093	22.9
223.05664	2.6
225.07222	5.7
225.56607	6.1
226.06799	4.0
226.56500	1.5
227.03972	12.7
228.97916	2.8
229.06676	92.4
230.04990	3.3
230.06918	4.9
231.06073	1.5
239.03925	8.8
241.06827	8.9
243.08255	2.5
245.05005	3.0
251.03967	2.2
253.06650	33.4
257.05103	3.2
259.04080	2.2
259.06653	6.0
265.06635	7.1
269.05045	19.1
271.07684	9.5
283.07700	5.2
287.06058	46.7
288.06296	2.9
289.08740	7.3
299.05978	8.7
306.59088	3.0
307.05084	10.6
307.09067	6.8
307.55078	3.1
308.06744	4.9
313.08768	13.8
317.07123	69.0
318.07468	5.3
331.09827	42.5
359.02850	4.5
371.01379	6.0
428.10544	1.5
445.13028	100.0
446.13156	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	445.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
69.03420	0.6
70.06583	1.0
71.65723	0.3
71.69404	0.4
73.02894	0.5
73.04747	1.7
85.02895	1.0
85.06535	0.4
91.05800	2.2
97.02906	1.0
98.66577	0.4
115.03919	2.0
116.04953	0.5
121.02863	0.7
127.03888	0.6
132.04480	0.5
133.05023	0.8
167.05511	1.0
221.06305	0.5
257.10275	3.1
282.09872	1.5
351.68591	0.5
359.02753	2.0
445.13098	100.0
446.12933	5.0
446.18204	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	1.8
58.07404	0.4
61.64294	0.3
69.03415	1.0
70.00759	0.8
70.01096	0.5
70.06581	1.2
72.08142	0.5
72.78320	0.3
73.04749	3.7
74.28655	0.3
81.03402	0.6
84.08125	0.7
85.02904	2.0
85.06539	3.5
86.06860	0.4
86.09694	1.5
91.05787	5.3
97.02878	1.1
98.22597	0.3
101.07134	0.4
104.96018	0.4
116.01138	0.4
116.07072	0.4
119.92663	0.3
120.04414	0.6
121.02841	2.1
127.03910	1.3
132.04417	1.5
133.05199	0.5
134.80019	0.4
144.06831	0.9
145.04942	0.8
149.04503	0.6
153.42671	0.4
159.09183	1.4
164.07103	0.4
167.05525	2.2
176.05876	0.5
222.87236	0.4
225.04311	1.2
229.10796	1.2
247.11789	2.2
248.12125	1.4
249.12326	0.8
254.10355	0.9
257.10306	13.4
266.12625	1.0
282.09836	7.7
293.11316	0.6
294.07294	0.4
299.12537	0.7
300.10861	0.7
311.51285	0.4
340.77072	0.4
342.99731	0.6
359.02841	3.7
360.02557	0.4
445.13086	100.0
446.13126	4.0
446.17880	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	3.9
57.03426	9.5
59.04992	1.4
61.02919	11.9
69.03419	26.0
69.79314	4.6
70.06594	13.8
71.01311	2.0
71.04974	2.2
72.08124	4.6
73.02907	57.7
73.04746	7.2
79.05459	2.1
81.03384	6.1
85.02892	100.0
86.03203	1.6
86.09692	12.3
87.04436	3.3
91.03952	7.3
91.05794	11.1
96.04461	1.3
97.02274	2.4
97.02878	45.6
99.04398	4.6
103.03931	1.7
106.06532	7.5
107.04261	1.7
107.04932	19.2
109.02856	8.3
109.06132	1.7
115.03922	13.4
116.07054	6.6
121.02850	7.8
127.03896	29.7
128.04218	1.6
133.04936	11.4
134.06000	69.3
134.07021	3.5
135.06331	1.8
145.04935	57.4
150.07495	3.2
152.07033	2.6
163.03868	1.9
163.06004	20.5
167.05492	5.2
176.07048	20.0
188.03622	3.3
217.06976	1.4
218.08076	2.1
223.05888	2.5
225.04279	1.9
241.06888	1.9
249.12346	21.5
259.08051	2.8
261.14206	1.6
266.10043	13.1
266.12564	9.6
267.13220	2.6
278.10114	2.0
295.10263	1.4
296.08105	2.6
296.11215	38.3
301.11813	4.6
343.12793	2.7
359.02838	10.0
383.15814	4.1
445.15839	52.0
446.16476	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	445.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24507	2.2
50.34114	2.2
53.03936	2.6
55.01867	8.1
57.03425	15.8
61.02922	19.1
62.03905	2.0
67.05460	2.6
69.03421	34.1
69.15837	4.6
69.16245	7.8
70.06583	11.3
71.04974	2.9
72.08138	20.9
73.02909	100.0
73.04742	10.4
79.05482	4.1
80.78076	2.6
81.03402	6.7
84.04488	4.5
85.02895	92.8
86.09698	23.0
87.04447	7.2
89.05973	2.4
91.03952	4.2
91.05806	21.3
91.96413	2.2
95.08611	2.3
97.02883	45.2
99.04445	4.3
103.03912	2.5
106.06537	3.0
107.04955	9.3
109.02879	9.3
111.04464	2.7
114.05532	2.6
115.03904	27.3
116.07088	4.0
121.02847	8.5
127.03890	25.9
131.04886	6.9
133.04968	25.7
134.06000	7.6
144.06580	3.3
145.04930	46.6
149.04662	2.2
150.07613	6.7
151.52141	2.4
158.05992	8.9
162.07541	4.0
163.03871	5.7
163.06036	15.7
163.07335	4.1
164.65256	2.4
167.05531	7.9
185.09175	3.3
219.13499	3.0
221.05988	4.5
223.07628	4.8
225.04317	7.2
241.06987	4.4
243.13345	2.8
249.12355	9.7
251.06984	5.8
259.08157	5.5
266.10190	20.9
277.04803	3.7
277.09299	2.6
278.10013	2.5
295.05978	10.2
307.53839	2.5
342.99686	4.1
359.02896	13.9
427.15100	2.9
428.15564	2.7
444.47083	2.6
445.14807	14.0
445.21341	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	445.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
55.05496	1.9
67.05485	3.6
69.07061	1.6
69.96146	3.5
73.04737	1.8
79.05479	3.4
81.07056	6.1
83.08608	1.5
91.05412	3.2
91.05834	3.3
93.07028	1.8
93.29362	1.1
95.04971	3.4
95.08582	8.3
97.06514	1.2
105.03377	21.3
105.07014	4.9
107.08578	3.0
115.05449	2.0
117.07022	4.0
119.08556	5.0
121.10172	1.4
128.06189	2.1
129.06985	18.0
131.04871	2.2
131.08554	5.4
133.02831	100.0
133.06474	3.4
133.10072	2.1
134.03136	1.7
135.11581	1.5
141.06949	1.6
143.04889	1.6
147.08011	1.4
157.06454	22.9
161.05928	7.3
161.13211	6.9
167.05515	2.3
175.07509	7.1
176.07953	1.2
177.08980	1.2
177.12772	1.8
179.14308	6.3
185.05943	8.6
194.11766	3.1
196.99159	1.2
203.07010	16.8
224.10699	1.6
231.06485	32.6
249.07579	2.6
327.98920	1.2
350.42712	1.2
359.02783	3.1
381.70529	1.1
386.70239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.4
57.03424	7.3
57.07071	11.9
66.94382	0.8
67.05491	3.6
69.07058	26.7
71.08611	6.8
73.04743	12.7
77.24700	0.9
79.05475	2.6
81.07059	5.5
83.04984	1.0
83.08611	18.4
85.10168	2.7
88.02197	1.8
90.90328	1.1
91.05791	28.2
93.07033	4.3
94.47974	0.8
95.08607	5.1
97.06538	1.8
97.10159	13.2
98.98441	5.4
100.38882	0.9
107.08579	2.5
109.10152	2.3
111.06273	1.1
111.11708	2.1
114.07359	1.3
119.08508	1.5
121.10104	2.5
134.98167	100.0
135.11678	2.1
149.04495	2.7
152.99232	1.5
155.01038	3.1
167.05553	12.5
176.00826	1.5
182.50330	1.0
183.04224	3.0
225.02351	1.0
225.04250	5.4
227.02266	1.2
311.25745	32.8
312.26303	1.7
333.23956	8.4
342.99731	3.2
351.24887	1.5
359.02774	20.2
360.02966	3.2
445.23279	41.2
446.23355	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	445.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
54.09079	2.2
55.05505	51.1
57.03419	5.4
57.07058	7.1
59.04970	3.2
64.80785	2.4
65.03928	2.6
67.05493	49.9
68.27378	2.2
69.07057	43.0
71.04984	6.3
71.45349	2.7
73.06537	3.0
79.05481	35.3
81.07047	94.5
83.04971	9.3
83.08607	31.3
85.06517	5.5
91.05445	38.6
93.07031	40.7
95.04968	5.9
95.08594	100.0
95.09204	5.9
97.06522	17.9
97.10149	12.1
98.98411	3.9
101.06010	3.0
105.04512	3.2
105.07019	36.0
107.08588	20.6
109.06498	4.7
109.10142	14.6
111.08086	6.7
117.07021	6.0
119.08570	54.1
121.10135	18.6
123.08039	8.2
129.06982	5.2
131.08566	9.8
133.10110	44.4
134.98169	25.6
135.11685	24.9
137.13213	12.9
143.08527	2.7
145.10121	7.7
147.11668	25.0
149.09563	4.4
149.13255	4.0
153.09038	2.2
155.01003	3.2
157.10101	5.5
159.11653	5.6
161.13251	50.6
171.11659	5.0
173.13307	3.7
179.14224	16.2
183.04190	3.2
187.14862	4.2
189.12804	2.8
189.16362	4.6
203.17967	4.2
213.16330	20.0
231.17439	30.0
247.16948	3.1
249.18480	51.1
311.25751	9.2
375.43390	2.3
409.31055	3.4
427.31732	13.2
445.24118	12.1
445.33188	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	445.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.5
55.52107	2.1
55.52403	2.5
56.83608	2.2
57.07058	10.1
67.05494	9.1
69.07057	53.1
71.08615	6.0
75.47344	2.2
77.11472	2.2
79.05473	3.0
81.07047	18.7
83.08607	21.2
93.07038	4.3
95.08567	14.0
97.10146	11.9
105.07063	3.0
107.08572	3.4
109.10154	8.5
111.11706	6.5
118.74649	2.1
119.08603	2.4
123.11667	2.7
125.13283	4.0
135.08020	5.0
137.09578	7.5
139.07510	5.1
149.09612	8.7
151.07536	2.5
153.09106	5.0
159.11726	2.7
163.11160	4.9
165.09088	100.0
166.09468	2.7
169.08560	2.5
175.11111	4.4
177.09006	6.4
181.08575	8.5
189.08994	2.8
189.12794	3.0
191.10663	11.6
193.12132	2.5
203.10652	7.7
205.12117	10.5
219.13713	2.7
221.20367	2.6
231.13760	4.2
265.24902	2.3
332.77316	2.6
427.35489	11.4
445.20200	3.7
445.36835	17.5
470.54333	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	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.9
57.07069	4.9
59.67121	1.4
67.05498	6.2
69.07059	18.5
79.05482	2.3
81.07048	8.4
83.06290	1.2
83.08618	8.1
91.05463	2.1
93.07043	2.6
95.08589	7.2
97.10154	5.4
105.07052	2.1
107.08604	4.2
109.10145	5.4
111.11711	3.5
111.88200	1.3
115.70287	1.1
119.08557	4.2
121.10111	3.2
123.11728	2.4
133.10107	1.6
135.08035	3.0
135.11710	1.4
137.09605	8.2
139.07549	1.8
145.10129	2.1
149.09615	8.2
159.11655	1.8
163.11136	10.1
165.09097	100.0
166.09413	3.6
175.11160	3.7
177.09122	5.8
179.10680	1.4
187.11079	1.6
189.09097	2.1
191.10675	3.9
197.15112	1.4
199.11203	3.7
201.12633	2.0
203.10651	2.4
205.12202	7.2
231.13841	1.4
233.15184	1.5
251.81526	1.5
427.35767	3.9
445.19995	2.9
445.36972	7.0
446.20697	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	41.1
57.07061	9.5
64.02136	2.7
67.05492	7.0
69.07063	33.2
69.19178	10.0
69.19589	6.5
69.77341	2.6
71.08627	6.1
79.05478	3.4
81.07059	16.1
83.04970	66.9
83.08614	31.1
86.90781	2.8
91.05410	2.7
93.07031	17.4
95.04978	4.3
95.08609	21.2
97.10134	14.4
98.23409	6.3
105.07021	3.9
106.86917	2.7
107.08594	9.5
109.06577	7.0
109.10133	6.3
111.08072	6.8
111.11691	4.2
115.45217	2.5
119.08585	7.4
121.06486	39.0
121.10099	3.4
123.08082	9.1
127.07544	12.8
129.36386	3.0
135.08035	20.3
135.11688	3.8
137.09604	12.0
139.07520	91.6
139.08551	5.7
145.06398	3.0
147.11713	3.9
149.09567	5.1
151.07498	4.8
153.09108	11.3
155.00974	5.3
163.07516	17.5
165.09160	5.2
167.10745	4.2
169.08604	3.2
171.01015	2.8
177.08963	2.9
181.08556	30.8
183.04181	3.0
189.12752	4.5
195.10040	3.5
204.01776	2.9
208.23477	2.6
223.13260	3.8
237.14870	12.1
249.14766	3.4
251.16382	4.7
293.21136	4.3
307.22726	9.1
319.22672	5.1
333.24396	4.2
349.27448	3.5
363.28891	7.1
427.35910	5.5
445.36707	100.0
446.37061	13.4
453.03146	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	446.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21537	0.7
69.94095	1.4
69.94424	1.3
94.93003	92.3
98.22744	1.4
136.94005	100.0
138.59425	0.7
138.66795	0.8
143.13716	0.8
148.94177	0.8
176.93515	0.9
178.95053	0.9
219.01773	1.1
223.95081	22.0
225.96735	1.5
232.44902	0.9
237.02872	2.4
246.71219	0.8
265.96140	2.9
267.97958	1.1
281.99332	4.4
312.00342	1.9
314.18414	0.8
348.04767	4.8
362.00989	0.9
372.02383	0.8
374.97137	0.7
386.00311	12.7
386.04944	1.4
396.40411	0.8
446.02463	9.2
446.11441	2.2
447.08817	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	446.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	23.9
69.03416	4.0
69.12726	10.9
70.06573	3.1
73.04730	6.7
79.28194	1.6
81.03395	1.9
84.08131	3.1
84.96006	10.1
85.02903	3.2
86.09697	2.7
91.05787	15.9
97.02873	8.0
98.97562	57.6
110.97550	25.2
112.99116	1.6
115.03878	2.1
116.98602	24.5
119.01885	2.3
121.02832	2.9
121.06503	2.6
124.99080	1.8
127.03958	1.9
128.98581	30.2
129.10280	2.9
132.10216	1.9
134.99640	4.9
140.98566	7.0
143.00116	9.7
144.98087	2.3
146.99605	13.5
151.00752	2.4
152.05638	9.2
152.98572	4.1
155.01872	2.4
158.99637	19.7
161.01137	4.4
167.05537	6.7
168.05522	2.3
168.98021	2.8
170.99643	9.0
172.01306	2.0
173.01221	3.9
173.02963	3.2
174.03040	2.3
177.00691	12.7
182.99690	6.0
186.99170	7.4
189.00732	4.8
193.03598	1.7
194.99545	4.4
197.02977	2.6
201.00699	14.0
203.04060	2.1
205.00330	2.6
206.06871	2.1
208.02519	2.3
213.00706	8.8
216.98679	2.0
219.01720	59.5
219.03764	3.1
225.00682	4.9
225.04179	1.9
229.00340	2.3
231.02046	2.6
237.00882	4.7
237.02779	97.8
238.03255	4.0
243.01753	3.3
248.08109	8.7
255.01576	3.6
255.03882	7.1
259.03848	4.3
259.06494	1.8
259.54068	2.1
260.55301	5.5
267.01892	1.7
269.04865	2.7
285.02774	9.2
287.06125	2.7
288.06229	2.3
290.08914	8.0
299.06158	2.2
303.03714	9.3
307.04822	4.7
307.55038	6.5
308.05661	11.3
315.03784	93.9
316.04144	3.5
317.06769	5.1
318.07352	3.2
333.04861	100.0
334.05280	4.8
356.06641	1.8
359.02875	1.7
360.02686	5.3
361.02435	2.0
446.13516	13.1
446.27005	2.2
447.08859	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	446.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33489	0.3
56.05016	0.6
69.03368	0.3
70.21880	0.4
71.06062	0.6
73.04732	0.7
80.01179	0.3
81.04528	0.4
83.06069	0.6
84.08128	0.4
85.02885	0.3
90.90769	0.3
92.04955	0.4
96.04436	0.4
96.05566	0.4
97.06319	0.6
104.04974	0.6
105.03379	0.5
105.05726	0.6
110.07136	0.8
112.05083	0.4
117.05714	1.1
118.06487	1.0
119.06006	0.7
119.07248	0.4
120.04430	2.0
121.02868	1.8
122.05836	0.3
123.04372	0.4
126.06586	0.8
130.06474	0.5
132.04427	11.9
132.05437	0.6
142.06502	0.3
144.05649	0.8
144.06786	7.6
145.03899	1.4
145.07545	0.5
146.05974	0.9
157.07544	0.9
158.05890	0.6
158.08359	0.5
159.05527	0.3
159.09142	12.7
163.08595	0.9
164.07033	0.6
173.06992	0.4
176.05786	2.0
184.08659	0.7
185.07072	0.8
185.09427	0.5
186.06557	0.7
191.08084	1.4
201.06708	0.4
201.11259	0.8
202.09712	0.6
212.08136	0.5
214.09663	0.5
226.10742	0.5
228.07597	1.3
229.10782	6.4
230.09200	0.5
247.10706	2.0
249.12352	2.6
254.10316	10.9
255.10834	0.4
257.10278	100.0
258.10611	3.8
261.09857	1.7
282.09799	57.3
283.10083	2.4
286.09308	3.0
293.11258	3.5
299.12421	5.4
300.10803	5.2
317.13522	1.0
360.02606	0.5
404.15671	0.7
429.15436	0.4
446.17749	66.0
447.18042	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	447.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79592	0.8
56.07283	0.7
56.96566	1.9
63.38497	0.8
66.86655	0.8
74.91769	0.8
75.06970	0.8
78.08616	0.8
84.96039	1.5
97.99135	1.0
98.97581	6.1
100.43323	0.9
109.99140	1.2
110.97552	2.7
112.25323	0.8
114.89330	2.9
116.98605	2.9
121.06475	3.6
122.77122	0.8
128.00203	1.6
128.98598	2.7
145.02831	1.8
146.01262	2.2
158.99611	1.2
170.99678	1.3
173.02914	1.1
177.00755	1.2
185.02957	1.3
186.03136	0.9
187.02675	1.4
189.01837	2.6
207.02971	1.2
213.00731	1.4
219.01714	5.5
221.05075	1.1
222.05528	0.9
231.02852	3.6
231.06389	2.0
237.00650	1.1
237.02802	10.5
249.03989	2.4
285.02689	1.1
287.06088	2.5
315.03787	4.0
317.07080	5.7
318.07352	1.4
319.07007	2.5
333.05026	7.4
371.01453	3.5
430.06699	1.2
447.08948	100.0
448.09229	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	447.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34021	0.8
56.96561	1.1
60.41293	0.8
61.57286	0.9
63.45392	1.1
68.81512	0.9
70.06567	2.1
73.04739	2.9
78.70878	0.8
84.08138	1.2
84.96024	1.1
91.05791	7.6
93.05455	1.1
98.97565	5.3
104.10722	2.7
110.97571	1.2
116.07096	1.3
116.98624	2.0
119.01932	1.0
128.98618	2.1
129.10207	1.6
131.01889	1.0
139.87807	1.0
140.84868	1.0
145.03531	1.9
149.02254	1.9
153.25966	0.9
157.03484	1.3
161.03041	1.2
163.03955	1.5
167.03369	1.1
167.05530	2.5
169.05316	1.1
173.02917	1.7
175.11902	2.6
177.00775	1.4
182.76064	1.0
185.02907	1.4
185.06230	1.0
197.02937	1.2
216.08286	1.0
216.98657	1.3
219.01830	3.2
221.05075	2.1
227.04114	2.9
231.03027	1.3
234.99748	1.5
237.02750	5.6
271.06018	1.1
287.06146	3.2
315.03809	2.2
317.07162	9.8
333.04773	3.6
344.99503	1.2
354.79111	1.0
361.02271	4.5
447.08911	100.0
448.09512	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	447.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	8.7
68.65534	2.1
70.56714	2.4
70.57040	2.4
70.73190	2.2
84.96009	2.2
98.97571	40.1
110.97569	4.8
114.65988	2.1
116.98612	12.1
127.00711	3.3
128.98631	3.1
152.98663	4.1
158.99651	15.7
170.99626	14.5
177.00740	9.4
189.00658	17.6
194.99648	4.2
207.01839	5.1
213.00687	13.0
219.01729	11.5
229.88669	2.2
231.01796	5.0
237.02660	11.5
255.01678	3.6
315.03900	4.2
333.04861	34.6
351.05905	38.1
413.27457	2.2
447.08948	100.0
447.14185	3.7
448.08868	2.8
459.96930	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	2.8
61.57962	1.0
61.84347	0.9
70.08752	3.0
98.97571	6.2
103.84123	1.0
116.98582	1.9
154.80371	0.9
158.99663	2.1
166.79930	1.0
177.00552	1.0
219.01730	1.3
231.02011	1.3
246.42445	1.0
306.40604	1.1
333.04852	5.2
351.05859	7.5
394.01187	1.1
447.08920	100.0
448.09067	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	447.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01869	9.3
55.05484	4.8
57.03432	20.8
59.05001	1.9
61.02914	19.8
63.43076	1.7
69.03064	2.8
69.03420	35.5
70.06564	2.9
71.01345	5.9
71.04979	3.0
71.44111	2.1
72.08132	3.3
73.02910	100.0
73.04742	2.3
73.05851	1.6
73.06534	5.5
78.42200	1.7
79.64925	1.7
81.03390	5.8
84.04480	1.8
84.08121	3.1
85.02896	95.6
86.09702	9.4
87.04449	4.7
91.03931	4.7
91.05376	2.4
91.05846	2.5
91.07590	5.3
97.02882	55.0
99.04441	4.3
100.33354	1.6
103.03881	2.6
104.75973	1.6
109.02847	8.1
115.03903	36.1
119.04900	4.4
127.03896	29.7
129.05528	2.5
132.04286	2.1
133.02878	1.8
133.04945	36.3
137.05954	9.0
145.04942	59.8
149.02315	2.8
150.07593	6.5
163.05981	23.9
177.05482	3.7
199.05968	3.2
201.94673	1.5
223.06001	6.1
241.07001	8.7
253.45764	1.7
259.08124	10.8
277.09134	2.8
295.10272	3.8
315.14047	6.3
361.02335	2.5
447.18140	59.5
448.11868	3.3
448.18225	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2222
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
55.01851	6.6
57.03440	6.7
59.04983	6.1
59.33093	3.5
62.53772	3.8
67.05497	7.5
69.03411	17.6
69.80006	4.3
69.86920	3.5
71.28086	5.9
73.02900	16.2
73.04737	4.2
79.05496	4.2
81.03392	6.9
81.07040	11.9
83.04979	5.4
85.02913	27.2
91.05467	17.0
93.07034	100.0
95.04953	7.2
95.08588	47.7
97.02864	11.5
97.06544	4.7
99.04457	5.1
105.07030	15.4
107.04936	4.5
107.08590	48.9
109.06491	7.7
115.03944	8.4
119.04914	6.1
119.08554	14.0
120.08115	4.7
127.03899	10.9
129.05444	4.8
131.04967	5.6
131.08542	11.3
133.04961	4.2
135.11664	51.1
143.08559	14.2
145.04924	6.8
145.10097	9.1
147.04419	5.5
153.12781	9.1
157.10098	6.8
161.09538	5.0
167.08490	4.3
221.11722	5.0
224.60875	3.8
239.12679	6.8
273.03949	6.2
283.10306	4.4
297.17120	9.6
313.83725	3.8
315.17947	14.0
316.07947	3.7
355.06503	4.6
361.02518	4.4
393.80862	4.8
447.17142	11.9
469.25314	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	447.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
57.03423	3.5
57.07063	14.9
67.05488	2.6
69.07053	3.4
70.03164	3.3
71.08638	8.7
73.45818	1.2
74.58700	1.3
81.07049	2.8
83.08622	2.0
85.10165	6.3
95.08593	4.7
109.10111	1.6
134.98161	36.7
149.39136	1.5
209.01851	2.5
313.27325	22.6
353.26730	2.0
379.95898	1.4
409.46017	1.5
415.22141	2.6
429.23801	3.6
447.24762	100.0
447.34509	2.9
448.25089	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	447.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01857	4.4
55.05507	24.3
57.03436	27.6
57.07065	7.3
67.05496	48.4
69.07061	25.6
69.19627	12.3
71.04996	2.8
71.08610	4.6
79.05482	27.4
81.07050	41.7
83.08612	20.9
91.05456	13.5
93.07037	34.9
95.04967	2.8
95.08594	36.4
97.06482	2.2
97.10165	7.6
98.22768	3.9
98.98458	31.8
105.06982	10.0
107.08583	24.3
109.06468	2.1
109.10143	16.5
111.11723	2.9
113.00007	100.0
117.07018	4.5
119.08582	7.7
121.10138	19.4
123.11691	9.0
129.17480	1.8
131.08575	6.5
133.10139	5.8
133.77402	1.9
135.11647	10.7
136.63741	1.9
136.99979	32.6
137.13226	2.8
145.10143	5.2
147.11682	6.0
149.02370	2.9
149.13280	7.5
149.30656	2.5
155.01031	23.5
159.11717	4.0
161.13318	3.6
163.14882	5.3
169.02588	36.7
173.13264	3.1
175.14789	2.7
182.51729	1.7
187.03694	10.4
187.14865	2.7
193.02606	5.4
205.60701	1.8
206.35559	1.9
211.03580	5.7
220.36028	1.9
237.22163	6.0
243.21069	7.1
261.19839	2.6
261.22165	21.6
311.25723	19.3
317.24741	7.9
335.25714	64.2
336.26263	3.3
447.25031	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.5
57.03431	10.8
57.07059	6.8
67.05495	51.5
68.05801	2.1
69.07046	11.6
69.58340	6.3
70.06581	11.2
71.08641	2.3
72.08141	2.2
72.50439	2.1
74.34520	2.4
76.18661	2.0
79.05478	22.6
81.07045	57.7
83.08600	7.0
88.07607	4.9
91.05457	15.1
93.07029	28.3
95.04946	4.8
95.08595	45.0
98.98409	3.3
102.09191	5.2
105.06998	10.8
107.08578	18.2
109.06503	2.8
109.10137	26.8
112.99998	100.0
114.15829	2.1
117.06964	4.0
118.38111	2.1
119.08560	12.0
121.10130	16.6
123.11697	8.8
131.08554	9.6
133.10133	7.0
135.11646	10.1
145.10086	8.3
146.11734	3.5
147.11671	5.9
149.02415	2.9
149.13179	6.7
159.11566	3.7
163.14871	5.4
169.02562	20.6
173.13277	4.9
175.14775	3.9
187.03662	12.1
187.14752	5.4
243.21109	6.0
253.39578	2.1
261.22095	18.2
311.25653	3.6
317.24600	9.1
335.25742	84.6
336.26157	3.9
340.35596	10.6
341.36014	3.6
384.38290	14.7
385.38409	8.9
446.41901	43.8
447.25223	4.1
447.42285	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74117	1.1
55.01834	1.0
56.05020	1.4
56.96551	2.0
57.03416	7.2
64.23843	1.1
67.58089	1.1
69.03405	1.9
70.06548	1.1
75.04455	5.9
81.03406	1.3
84.35791	1.1
85.02901	5.8
89.03911	4.8
97.02876	1.8
116.34151	1.2
117.03354	14.8
120.04451	1.3
132.04430	3.7
134.03630	2.4
135.04384	1.6
143.47469	1.3
145.02827	47.0
146.03111	2.0
147.04344	1.5
149.05960	7.9
151.06169	2.3
155.92221	1.3
157.06508	1.2
162.03102	2.3
163.03893	5.8
177.05438	100.0
178.05809	4.3
180.04156	4.9
183.04706	1.2
195.06509	38.5
227.09526	2.8
233.08073	2.0
245.10614	2.2
251.09122	17.6
252.09644	1.4
259.11853	10.3
269.10217	41.8
287.11557	3.6
302.12347	3.3
313.26678	1.2
329.12521	1.6
448.19376	13.9
448.25162	2.2
449.19968	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	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.9
57.03420	1.9
69.03423	1.1
70.06589	1.8
73.02908	1.6
81.03408	2.2
85.02902	3.7
86.09692	2.7
89.03911	4.0
90.63295	0.6
91.05434	1.5
93.05454	1.0
93.45113	0.8
95.04961	0.8
97.02874	1.7
99.04473	1.0
103.05441	1.4
108.20795	0.9
115.03925	2.7
117.03370	16.2
119.04916	2.9
120.08163	0.8
121.02848	0.9
121.06507	1.0
122.02716	1.3
122.06024	1.0
123.04445	1.3
123.06839	0.9
127.03918	1.0
131.04950	1.6
133.02841	17.8
133.04990	1.4
135.04408	1.3
137.05974	4.0
138.05417	1.0
145.02834	49.3
146.03169	1.0
147.04401	1.3
149.05952	6.4
161.05977	2.0
162.03120	8.4
163.03821	0.9
165.05478	3.5
168.06558	1.4
171.04407	1.1
175.03851	1.7
177.05452	100.0
178.05783	2.5
188.68483	0.8
195.06454	1.2
203.06970	1.7
205.08624	1.3
215.07123	1.1
219.06488	10.2
251.09122	62.4
252.09389	3.6
259.11670	0.8
269.10229	0.9
285.12210	2.2
287.05469	11.7
301.11862	1.0
327.12219	3.0
356.71936	0.8
362.02567	1.1
377.12180	1.6
395.13278	1.1
413.14243	5.5
430.16174	1.6
448.17917	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01868	10.3
57.03433	23.0
58.10392	1.4
59.05000	3.1
60.04514	2.4
61.02927	13.9
69.03423	40.7
69.07063	1.6
70.06593	1.5
70.76447	1.9
71.01328	6.9
71.04993	6.0
71.37894	1.3
72.08155	2.1
73.02911	100.0
79.05499	2.4
81.03400	8.1
81.07078	2.6
84.04479	2.5
84.34704	1.4
85.02898	87.3
85.06525	1.7
86.09733	2.0
87.04449	6.9
91.03959	5.5
91.05480	6.4
93.07039	15.2
95.04961	2.3
95.08587	1.7
97.02885	69.2
99.04449	5.3
103.03947	6.1
105.07003	2.8
107.04977	1.7
109.02876	8.1
111.04449	2.2
115.03918	40.2
117.07031	1.9
119.04934	33.5
119.05695	1.2
121.02818	2.2
121.10106	1.6
126.05501	2.1
127.03898	27.5
133.04958	47.8
136.07570	22.1
137.05962	38.2
137.09738	1.7
144.06551	5.4
145.04950	39.6
145.06094	2.7
145.08545	2.3
147.04385	4.4
149.02316	2.0
150.07605	2.4
152.07053	7.2
162.07597	3.2
163.06009	14.3
164.07063	23.1
166.08693	2.0
180.08667	2.7
185.26068	1.5
193.04984	2.3
199.05930	2.2
217.07019	1.7
223.06039	2.9
233.08055	2.6
241.07123	6.6
259.08167	6.4
268.26511	1.7
269.12952	1.7
276.10764	1.9
281.10098	7.0
287.05478	7.9
287.13901	6.1
317.15762	4.2
449.19873	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	448.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18832	0.4
55.08814	0.4
56.04996	1.7
57.05779	0.4
60.05610	1.4
61.02924	0.5
69.03391	0.7
70.06568	0.9
70.75769	0.5
70.76131	0.8
71.04932	0.5
74.06049	0.6
77.20293	0.5
79.05456	0.9
83.06099	2.8
84.04508	0.4
84.08127	0.6
85.02888	1.1
85.79534	0.5
86.09667	1.1
89.03811	0.5
91.05421	0.8
95.04938	0.8
97.07637	0.5
99.05553	0.5
101.23648	0.4
103.24662	0.5
105.03364	2.2
105.05730	1.6
106.06509	2.0
111.05547	7.0
113.07078	1.9
115.03883	0.7
120.04444	17.6
121.02923	0.4
123.04365	0.8
123.05503	1.4
124.05070	0.5
126.06614	11.1
127.07407	0.6
130.06517	0.5
130.86476	0.6
132.04430	23.6
132.08092	0.5
134.05974	10.7
135.04373	0.6
137.04645	1.3
140.08141	1.5
145.02795	0.7
145.03908	0.6
146.02290	0.8
149.07109	0.6
151.06123	10.5
154.90230	0.5
158.05951	0.8
161.07030	0.9
163.03862	4.6
165.09052	2.3
165.23296	0.4
168.08798	3.2
172.39656	0.5
174.07887	0.8
175.08606	0.6
185.07039	1.3
187.07281	0.7
202.09720	16.3
203.10069	0.5
214.09796	0.9
216.11281	4.0
230.09206	9.5
231.12303	0.9
232.10789	4.7
242.09181	4.9
257.10254	5.9
259.11859	87.1
260.12195	3.4
261.73236	0.5
277.13000	2.8
284.11325	5.2
287.05432	5.8
301.14020	9.4
302.12393	32.6
303.12762	1.9
319.15134	2.7
360.16418	0.8
362.18054	0.9
382.48544	0.5
388.15967	0.5
406.17130	14.1
407.17319	1.0
413.15442	0.5
430.18140	1.6
431.16861	1.0
448.19315	100.0
449.13974	1.0
449.19672	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	448.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34708	0.7
52.53234	0.8
55.05496	2.4
57.03431	12.7
61.02927	1.8
69.03423	3.4
69.42311	4.0
71.04987	74.3
72.05296	1.1
73.02913	2.5
73.94601	0.9
75.04475	4.3
81.03398	1.9
83.04968	8.7
85.02896	100.0
86.03234	1.1
87.04456	2.7
91.03976	1.0
97.02885	6.3
98.23486	1.6
99.04442	2.1
101.06031	0.9
103.03927	1.2
105.07021	3.7
109.02890	1.4
110.06068	0.9
111.04421	4.3
112.85580	0.8
115.03929	1.0
115.05452	0.9
127.03881	5.1
129.05464	40.6
130.05843	1.0
131.07040	2.3
133.06477	2.0
136.07616	4.9
137.05980	1.2
145.04945	6.4
147.06509	22.8
151.07515	1.1
152.07022	1.3
152.56944	0.9
153.01859	1.2
161.05923	2.1
163.05983	3.0
164.07016	4.6
164.09148	5.1
167.06998	3.0
177.09099	17.2
189.09125	0.8
193.08578	6.1
194.08801	0.8
221.11665	1.8
255.08609	1.6
267.12219	1.4
273.09726	1.9
275.88031	0.7
287.05487	16.9
407.73837	0.8
463.97946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.6
55.95852	2.6
57.03413	3.3
62.06074	4.2
66.59829	2.4
67.05489	10.3
69.03419	7.4
69.07057	15.6
71.04963	6.8
71.23598	3.1
79.05471	18.6
81.03403	4.5
81.07041	15.2
83.04946	9.1
84.04490	5.3
85.02895	15.1
85.06553	2.7
86.09666	5.2
91.05450	13.2
93.07041	19.7
95.04957	9.4
95.08639	13.2
97.02861	5.8
97.06504	12.5
99.04443	3.8
101.05988	2.7
102.05527	4.2
105.07027	19.6
106.33990	2.7
107.04929	12.7
107.08572	14.4
109.02863	5.0
109.06483	6.6
109.10139	4.6
117.06963	7.0
119.08559	11.3
121.06480	10.6
121.10114	7.9
125.05966	8.2
129.07011	2.6
130.05005	3.8
131.08557	3.8
133.10098	5.4
135.08005	3.8
135.11697	7.9
136.07483	2.9
137.05882	3.8
143.06952	4.5
145.10091	35.2
147.07983	2.6
147.11697	8.2
149.09628	3.1
159.07991	2.9
159.11676	11.1
163.03806	2.9
163.11153	100.0
164.06903	2.7
169.10187	3.1
173.09596	25.4
177.79395	2.5
181.12239	3.3
187.11182	13.1
189.12759	5.2
191.10660	15.0
197.09584	4.4
205.12222	12.2
215.10649	10.2
227.12746	5.1
233.11707	50.1
233.15228	5.5
251.10431	3.0
251.12816	13.2
251.16238	4.5
258.11252	2.7
268.26288	5.2
269.13705	7.7
286.10669	9.5
286.27393	14.2
287.05447	14.0
426.46707	3.1
448.17294	3.8
448.32538	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
55.05492	10.5
55.28860	1.4
65.03926	1.6
67.05503	8.1
69.07057	3.3
69.33398	4.9
71.04982	3.7
79.05482	4.6
81.07038	10.3
83.04955	3.4
85.02877	3.6
91.05474	6.6
93.07029	21.8
95.04963	5.5
95.08587	9.7
96.21595	1.9
97.02882	1.7
97.06512	3.7
98.22602	2.0
99.04450	3.7
105.06995	13.1
107.08585	19.4
108.08961	1.4
109.06513	3.6
109.10141	5.1
117.06984	2.2
119.04919	1.7
119.08572	11.7
121.10130	19.8
123.04389	9.1
123.11588	1.7
131.08559	5.8
133.10103	11.2
135.08014	2.8
135.11641	3.7
143.37744	1.4
145.10075	4.9
147.04419	2.9
147.11633	10.2
149.09575	3.5
149.13226	17.8
159.11653	9.2
161.13315	2.3
165.08992	2.0
173.13223	2.3
177.12680	9.2
177.16359	5.4
185.06003	1.8
187.14812	10.6
195.04332	1.6
205.15860	15.8
213.05408	11.1
215.14362	3.7
223.03719	2.4
224.32103	1.4
233.15338	12.0
241.04904	6.8
251.16377	28.9
253.05092	1.7
260.76248	1.4
269.04379	17.7
270.04935	1.7
271.06064	1.8
285.03925	2.2
287.05566	9.3
297.03891	100.0
298.04715	2.3
311.05481	3.2
327.04837	5.9
402.77048	1.5
449.08588	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0863
Annotation	XL147
Peak:m/z	Relative Intensity
54.13501	0.5
55.01828	0.7
55.05481	1.2
67.05446	1.4
69.03389	0.5
69.19718	2.4
70.06557	0.6
79.05451	0.9
81.03362	0.6
81.07031	3.0
85.02861	0.8
85.68543	0.5
88.60203	0.5
89.22098	0.5
91.05448	2.9
93.07028	2.5
95.04948	1.1
95.08540	2.0
105.03347	0.5
105.06969	2.1
107.04904	1.1
107.08582	2.3
109.02782	0.6
109.06473	1.0
109.10080	1.3
119.04865	1.6
119.08530	1.5
121.06450	1.0
121.10133	3.2
123.04414	10.1
123.08029	0.8
133.10049	1.0
135.08015	0.5
137.05922	1.6
145.06477	0.5
145.10071	1.4
147.04366	3.1
147.07799	0.7
147.11584	0.7
149.05879	0.6
149.09650	0.7
149.13214	1.5
151.07509	0.5
153.01793	0.9
157.08580	0.5
159.11624	1.4
161.12981	0.5
167.04941	0.7
177.12703	1.2
177.16328	0.6
181.04921	1.1
185.05879	1.1
187.14845	1.2
195.04379	2.3
197.05986	0.7
205.15860	1.4
213.05412	13.4
215.14339	0.5
223.03821	2.2
225.05345	0.5
225.12563	0.5
233.15283	1.6
241.04944	8.0
243.02654	0.5
251.16261	2.4
252.16754	0.5
255.06387	0.6
269.04395	16.5
269.07343	0.9
270.05142	1.2
271.06384	0.6
281.04364	0.8
285.03860	2.7
287.05447	13.0
297.03882	100.0
298.04419	5.7
309.03720	0.9
311.05463	3.3
327.04996	4.4
334.77417	0.6
339.04922	0.9
431.98877	0.5
444.24472	0.6
449.08624	57.8
450.08875	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	449.1076
Annotation	Quercetin-7-O-rhamnoside
Peak:m/z	Relative Intensity
52.89361	0.1
55.01873	0.3
59.26480	0.2
62.63558	0.2
65.03931	0.3
65.72448	0.1
67.01864	0.2
67.05493	0.2
68.99780	0.9
69.03417	0.3
69.64474	0.3
69.64862	0.4
70.06576	0.3
71.04975	0.5
72.08132	0.2
81.03403	0.5
85.02899	1.0
86.09673	0.3
91.05446	0.4
93.03401	0.4
94.98451	0.2
95.04949	0.3
97.02851	0.3
103.05412	0.2
105.03371	0.2
109.02867	0.6
111.00782	1.3
119.08603	0.2
121.02856	1.9
123.04423	0.3
127.03876	0.3
129.07021	0.2
133.02904	0.2
135.04393	0.3
136.07564	2.6
137.02324	4.8
137.05991	0.6
145.06442	0.2
149.02348	0.6
149.05916	0.2
151.03903	0.2
152.07056	0.5
153.00621	0.4
153.01811	5.4
153.03058	0.3
155.04890	0.4
157.06512	0.2
161.05956	1.9
163.03880	0.9
164.07031	2.0
165.01811	2.7
166.02554	0.3
166.08673	0.2
171.02965	0.2
173.05962	0.7
175.07501	0.2
183.02864	1.3
183.04382	0.4
187.03868	0.5
189.29201	0.2
191.03523	0.3
195.02808	0.3
201.05435	2.4
203.07011	0.9
205.04961	0.3
211.03790	0.2
213.05460	0.2
219.06406	0.2
221.08252	0.2
228.04402	0.2
229.04941	6.0
230.05214	0.2
233.04263	0.2
247.06046	0.8
253.08385	0.2
257.04410	3.4
258.04831	0.2
274.04620	1.1
285.03912	1.6
287.05542	2.1
287.13818	0.3
288.05716	0.2
299.05502	0.2
299.08939	0.2
303.04947	100.0
304.05298	5.9
304.08792	0.3
315.12241	0.2
345.13013	0.2
439.50818	0.2
449.10342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Quercitrin
Peak:m/z	Relative Intensity
57.03417	0.1
65.03926	0.3
67.01847	0.1
67.05469	0.1
68.99776	0.7
70.06570	0.1
70.60722	0.1
70.72581	0.1
71.04969	0.4
72.08140	0.1
78.68633	0.1
81.03393	0.2
85.02894	0.6
85.72244	0.1
91.05457	0.1
93.03379	0.4
95.04987	0.4
97.02837	0.1
98.22665	0.1
107.04931	0.1
109.02842	0.6
110.07143	0.1
111.00790	0.9
115.55666	0.1
117.06985	0.1
120.08057	0.2
121.02852	1.2
123.04398	0.4
127.03864	0.2
131.04919	0.2
133.37163	0.1
134.95734	0.1
135.04384	0.2
137.02312	3.7
137.03325	0.2
137.05981	0.1
145.06476	0.2
149.02336	0.5
151.03857	0.1
153.01784	4.5
154.02112	0.1
155.04927	0.2
159.04396	0.1
161.05983	0.4
163.03871	0.8
165.01799	2.3
166.02538	0.3
167.07001	0.1
173.05995	0.5
177.01814	0.1
177.05385	0.2
179.03339	0.2
183.02844	0.9
183.04379	0.3
185.48048	0.1
187.03865	0.4
194.02161	0.1
195.02861	0.4
195.58604	0.1
201.05420	2.2
205.04948	0.2
211.03978	0.1
213.05518	0.2
219.02913	0.2
219.06429	0.3
219.14885	0.1
228.04106	0.2
229.04915	5.4
230.05246	0.2
239.03358	0.2
245.04507	0.1
246.05199	0.1
247.05991	0.8
257.04382	3.1
258.04764	0.2
274.04626	0.9
275.05344	0.2
285.03867	1.5
286.04553	0.2
287.05508	0.4
303.04910	100.0
304.05255	4.7
317.15494	0.1
325.70084	0.1
427.06512	0.1
449.10309	0.3
449.19958	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.1
56.78976	0.1
57.03421	0.1
65.03919	0.2
68.99770	0.8
69.03412	0.2
69.09669	0.3
69.10097	0.3
69.89056	0.1
71.04990	0.5
77.57700	0.1
77.82821	0.1
81.03417	0.2
85.02889	0.5
91.05425	0.1
93.03384	0.4
95.04948	0.4
109.02871	0.5
110.03642	0.1
111.00093	0.1
111.00785	1.1
121.02836	1.3
121.06479	0.1
123.04427	0.2
127.03911	0.2
129.05426	0.1
135.04370	0.3
136.07547	0.4
137.02316	3.7
137.03339	0.2
137.05927	0.2
138.02649	0.1
144.67783	0.1
145.06462	0.2
147.04376	0.1
149.02344	0.5
152.07076	0.1
153.01797	5.1
154.02197	0.1
155.04857	0.3
157.06480	0.1
159.04376	0.2
161.05965	0.6
163.03880	0.8
164.07048	0.4
165.01805	2.5
166.02560	0.4
166.32410	0.1
173.02272	0.1
173.05972	0.6
177.05524	0.2
179.03372	0.1
183.02840	1.0
183.04413	0.4
187.03877	0.3
189.09184	0.1
191.03354	0.1
191.07054	0.1
195.02907	0.3
201.05411	2.4
203.07010	0.3
205.04915	0.3
207.02872	0.1
211.03851	0.2
213.05461	0.2
215.03378	0.1
219.02899	0.2
219.06517	0.3
228.04166	0.3
229.04922	5.3
230.05295	0.3
232.03670	0.2
239.03394	0.2
245.04498	0.1
247.05978	0.9
257.04395	3.3
258.04578	0.2
274.04669	0.8
275.05423	0.3
285.03873	1.6
286.04489	0.1
287.05505	1.1
288.05762	0.1
303.04919	100.0
304.05261	4.5
345.06039	0.1
449.10214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
51.32012	0.1
59.00827	0.1
67.01852	0.5
68.99792	0.4
69.03441	0.2
69.58814	0.5
69.59162	0.2
71.04979	0.5
79.05489	0.2
81.03413	0.2
81.07056	0.2
85.02878	0.3
89.03941	0.2
97.02893	0.2
109.02898	0.2
111.00726	0.1
115.03928	0.2
117.03345	0.3
121.02851	0.2
125.02312	0.1
135.04404	1.8
136.07587	0.4
137.02325	0.6
137.05942	0.4
141.35432	0.2
145.08527	0.7
153.01814	5.2
161.02332	0.6
161.05862	0.1
163.86816	0.1
164.06999	0.2
171.02870	0.6
177.05458	0.2
179.03369	0.3
209.06038	0.3
213.05365	0.3
241.04930	0.6
241.08630	0.5
269.04523	0.4
271.10452	0.2
287.05463	100.0
288.05826	4.9
288.08655	0.2
303.04959	0.2
357.57541	0.2
449.14117	0.5
453.26981	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	449.1075
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.01881	0.5
62.64016	0.2
65.03943	0.4
67.01834	0.3
67.05489	0.6
68.99773	1.1
69.03425	0.5
69.10883	1.1
69.11290	0.5
70.06594	0.3
71.04985	0.8
72.08183	0.3
79.05465	0.4
81.03403	0.5
81.07069	0.6
81.73447	0.2
85.02904	0.7
86.09689	0.3
86.33766	0.2
91.05488	0.4
93.03433	0.5
93.07038	0.5
95.04964	0.7
97.02905	0.4
98.23494	0.4
105.07020	0.4
107.04945	0.3
107.08575	0.3
109.02911	0.7
109.10162	0.4
111.00807	0.9
117.07036	0.3
119.08546	0.3
120.08097	0.3
121.02848	1.4
121.06485	0.4
123.04413	4.0
124.07571	0.3
127.03849	0.3
135.04387	1.0
136.07532	1.1
137.02333	4.1
137.05969	1.0
145.06505	0.5
149.02402	0.6
149.06065	0.3
151.07480	0.3
153.01802	7.8
154.02176	0.3
155.04924	0.3
161.02373	0.4
161.05984	0.5
163.03923	0.9
164.07040	0.5
165.01823	2.5
173.05899	0.5
177.05478	0.3
179.03328	0.4
183.02876	1.1
183.04410	0.5
185.06010	0.3
187.03914	0.6
190.86197	0.2
191.03278	0.4
195.02843	0.4
201.05457	2.1
205.04973	0.7
213.05447	0.4
215.03381	0.3
219.06371	0.3
228.04208	0.3
229.04935	6.0
230.05392	0.3
233.56641	0.2
241.04930	0.4
245.04466	0.2
246.14903	0.7
247.06082	1.0
247.09645	0.3
249.11128	0.5
257.04410	4.0
269.04401	0.4
271.06067	1.1
274.04657	1.2
274.66751	0.2
275.05515	0.5
285.03931	1.3
286.04245	0.2
287.05460	38.0
288.05786	1.8
297.03665	1.1
299.12769	0.3
303.04938	100.0
304.05280	4.6
334.19971	0.3
344.18442	0.7
432.24170	0.5
449.09760	0.9
449.17496	0.9
449.30865	4.8
450.24826	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	449.1075
Annotation	Quercetin-7-O-rhamnoside
Peak:m/z	Relative Intensity
60.90796	0.2
67.01805	0.8
67.05441	0.3
68.99746	0.5
69.03366	0.5
69.59305	0.8
79.05434	0.2
81.03426	0.2
81.06997	0.2
85.02837	0.6
91.05415	0.3
93.06961	0.4
95.04910	0.4
97.02856	0.3
98.22749	0.4
101.19790	0.2
105.06966	0.3
107.04936	0.2
109.02813	0.2
109.10081	0.2
119.04902	0.2
121.28721	0.2
123.04330	0.2
127.03821	0.2
135.04396	2.0
136.07527	0.6
137.02258	0.5
137.05923	0.5
138.66637	0.2
141.14874	0.2
151.03830	0.3
152.07042	0.3
153.00659	0.4
153.01813	6.1
161.02252	0.6
164.06969	0.8
171.02812	0.7
179.03328	0.3
203.03229	0.3
213.05363	0.4
241.04793	0.6
269.04407	1.2
271.06076	0.5
287.05463	100.0
288.05804	4.7
297.03897	2.8
303.04962	0.4
354.17215	0.2
449.10767	14.3
450.11023	0.9
474.04593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
57.03428	0.3
61.02914	0.3
67.01851	0.5
68.99451	0.2
68.99794	0.6
69.03431	0.9
71.04990	0.3
71.22727	0.3
81.03406	0.7
85.02893	2.4
89.03866	0.2
91.05465	0.3
95.04954	0.2
97.02892	1.0
98.26386	0.2
99.04443	0.2
107.04951	0.2
109.02867	0.5
111.00780	0.3
119.08566	0.3
121.02845	0.7
123.04384	0.2
124.07565	0.3
127.03893	0.5
133.02824	0.3
135.04413	1.6
136.07556	3.1
137.02321	0.7
145.04932	0.4
147.04393	0.3
152.07031	0.6
153.01802	5.2
161.02368	0.6
163.03885	0.3
164.07056	2.5
165.01828	0.6
171.02934	0.3
174.95815	0.2
175.31729	0.2
177.05557	0.2
179.03299	0.4
182.08090	0.4
183.02879	0.2
185.05917	0.2
213.05429	0.8
221.19345	0.2
229.07806	0.2
231.06419	0.2
241.04948	1.2
241.07137	0.3
258.05322	0.4
259.05753	0.2
263.05582	0.2
269.04434	0.4
287.05450	100.0
288.05783	4.9
303.05066	0.2
305.14752	0.4
346.56613	0.2
369.81885	0.2
449.18195	1.1
449.31158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
53.03929	0.8
55.01855	0.9
55.05494	0.7
57.03426	1.2
61.02906	1.5
65.03920	0.4
67.05495	0.9
68.99776	0.6
69.03419	3.6
69.07043	0.4
70.06581	0.4
70.94928	0.7
71.04977	1.5
73.02892	1.6
79.05474	0.7
81.03427	2.5
81.03807	0.5
81.07039	1.2
84.08128	0.7
85.02892	10.8
86.09672	0.7
87.04444	0.4
91.03942	0.9
91.05472	1.1
93.07011	0.9
93.66592	0.4
95.04954	0.6
95.08591	0.7
97.02881	4.2
97.06521	0.5
99.04431	1.1
105.03413	0.6
105.07056	0.4
107.04946	0.6
107.08622	0.6
109.02859	1.4
109.10133	0.7
109.48804	0.4
111.00782	1.0
115.03860	0.5
119.08569	4.7
120.08070	1.5
120.08913	2.1
121.02850	3.5
121.10104	0.7
123.11662	0.4
124.07554	0.7
127.03860	2.6
130.05011	0.4
133.02859	0.5
133.10120	0.9
136.07552	5.1
137.02299	0.9
137.09653	0.4
145.04930	2.1
145.06505	0.5
145.08589	0.8
145.10036	0.5
147.04367	1.3
147.11406	0.4
148.07536	0.8
149.09630	0.5
152.07053	1.0
153.01808	4.8
157.06430	0.6
164.07050	5.0
165.01831	2.3
177.09100	1.0
183.02866	0.9
185.05942	0.6
193.08589	0.4
210.73904	0.4
213.05519	1.8
231.06541	0.7
241.04852	1.1
249.03876	0.4
258.05212	1.2
259.05762	0.5
287.05444	100.0
288.05780	4.6
303.04874	0.6
449.27380	0.7
463.54456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
51.68042	0.1
55.01859	0.2
60.04505	0.1
61.02900	0.2
68.99779	0.8
69.03402	0.4
69.26728	0.3
69.27114	0.3
70.06593	0.7
72.08141	0.2
73.02900	1.0
79.05473	0.4
84.04458	0.2
85.02894	0.5
86.09705	0.3
90.63312	0.1
91.05480	0.2
93.07040	0.2
95.04961	0.3
97.02866	0.4
103.05479	0.2
105.03368	0.6
107.04941	0.5
109.02874	0.4
111.00796	0.8
119.08528	0.2
120.08083	0.3
121.02851	3.5
121.06449	0.1
127.03891	0.4
133.02811	0.5
135.04402	0.2
137.02307	0.9
137.05975	0.5
137.09572	0.2
138.09102	0.7
141.03813	0.1
145.04924	0.2
145.06493	0.3
147.04407	0.9
149.02333	0.2
149.05980	0.2
153.01802	5.3
154.02127	0.2
157.06464	0.6
161.05954	0.2
163.03867	0.2
165.01804	2.1
171.04376	0.2
175.03896	0.3
179.06975	0.2
183.02907	1.0
185.05899	0.7
203.07172	0.2
213.05405	1.8
217.13280	0.1
231.06445	0.9
241.04892	0.7
241.07141	0.2
242.20642	0.2
258.05182	1.3
259.05936	0.5
269.04266	0.3
269.12827	0.3
270.13464	0.1
287.05447	100.0
288.05795	5.0
300.14407	0.3
329.06290	0.2
335.09506	0.2
345.97858	0.2
349.16177	0.2
426.02612	0.2
449.10876	0.3
449.19821	0.8
450.13293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1417
Annotation	TyrMe-Met-OH
Peak:m/z	Relative Intensity
50.78339	0.6
56.66425	0.6
57.75192	0.6
69.03400	0.8
69.96449	1.9
70.06593	0.7
71.04980	1.1
74.06090	0.9
77.00529	0.6
80.99488	0.6
84.08138	0.8
85.02884	1.9
86.09699	1.9
97.02872	1.1
98.23415	0.8
98.97560	1.2
110.00725	0.7
121.06458	0.7
123.04425	1.1
145.04913	1.0
163.03955	0.7
175.69914	0.7
188.57185	0.7
190.26532	0.6
217.94131	0.7
223.97670	0.7
237.02760	1.2
248.64763	0.6
280.10004	0.6
287.05469	7.8
287.13641	0.7
317.08972	1.6
449.14114	100.0
450.14450	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	449.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72639	0.5
55.01833	0.6
67.42207	0.6
69.03400	2.7
69.55461	2.6
72.08147	1.3
73.02899	0.8
78.09870	0.6
85.02877	2.7
87.04447	1.1
88.60708	0.6
97.02863	1.9
99.47301	0.7
115.03855	1.1
120.33389	0.7
121.06472	1.1
123.04406	0.9
133.04884	1.4
139.03813	0.7
147.52190	0.6
150.07430	0.6
155.06766	2.1
185.04211	0.6
187.07341	0.6
224.53198	0.6
258.10611	0.8
259.11786	0.6
260.11926	1.2
275.07388	4.5
287.05322	2.3
303.12711	0.9
317.08261	10.1
317.11917	3.0
335.09424	17.7
336.09915	0.9
449.15997	100.0
450.16284	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	449.178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57193	0.4
53.03866	0.5
54.58482	0.4
55.01786	0.7
61.02808	1.8
63.06655	0.4
66.92417	0.5
68.99706	0.8
69.03307	2.7
69.18114	0.7
69.18422	2.7
70.28735	0.4
73.02834	0.5
79.05392	0.8
81.03275	1.6
83.44587	0.4
85.02771	8.5
85.03332	1.1
86.09627	0.5
87.60442	0.4
91.03822	1.1
91.05389	0.6
95.04853	0.8
97.02757	3.5
98.22617	0.8
105.03280	0.4
107.04845	0.6
109.02733	1.4
111.00691	0.8
117.06867	0.4
117.64393	0.4
119.08468	0.5
121.02856	2.8
127.03761	1.5
127.04598	0.5
133.02696	0.6
136.07426	1.5
137.02274	0.8
137.05846	0.6
145.04811	1.4
145.06339	0.5
147.04263	1.0
151.03804	0.7
151.07347	0.4
153.01787	5.5
157.06377	0.6
160.03903	2.0
161.04131	1.4
164.06992	1.1
165.01695	1.9
170.05711	0.5
183.02779	0.8
185.04100	0.8
185.05759	0.6
213.05370	1.4
213.24483	0.5
223.05879	0.7
236.61815	0.4
241.04839	1.0
243.06238	0.4
258.05164	1.6
259.05872	0.5
287.05466	100.0
287.12448	59.6
288.05765	6.3
288.12848	3.0
299.05579	0.5
303.04950	1.2
405.13885	0.6
449.18048	71.8
450.18304	4.5
456.05585	0.5
458.72748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
57.03414	0.5
67.01841	0.6
67.05481	0.6
68.99799	0.4
69.03423	2.3
69.16510	2.1
71.04979	15.8
77.03881	0.3
78.04670	0.4
79.05477	1.6
81.03397	0.9
82.60545	0.3
85.02882	1.1
85.06519	2.9
91.05447	2.2
93.07023	1.0
95.04942	1.3
97.02877	2.9
98.22693	0.7
103.05432	1.3
103.07578	0.5
104.06207	0.5
105.07014	7.2
107.04910	0.8
107.08622	0.8
109.02843	0.9
109.06499	0.4
113.05992	2.3
115.03914	1.7
115.05439	2.2
116.06213	0.5
117.06998	2.9
119.04893	1.5
119.08537	0.4
121.06453	1.3
123.04440	1.5
123.08054	1.2
127.03905	1.5
127.07526	7.1
128.06177	1.0
131.04898	0.6
131.07014	5.2
132.05682	0.4
133.05522	0.6
133.06471	8.8
134.07237	0.4
135.04391	1.1
135.08006	0.9
136.07544	4.5
137.05930	0.8
143.06015	0.6
143.08540	1.0
145.08571	40.0
146.08911	1.0
147.04366	0.7
149.06003	0.8
149.09581	0.6
151.07512	8.2
152.04602	0.5
152.07001	1.5
153.01822	3.1
155.07056	0.3
160.05133	0.5
161.05960	7.9
162.06761	2.1
163.07506	0.6
164.07036	3.9
167.07008	13.5
170.39235	0.4
171.02798	0.4
171.08005	1.0
173.06123	0.3
173.08049	0.8
173.09430	0.3
174.06728	0.4
175.07503	2.4
177.09076	100.0
178.06233	0.5
178.09413	3.3
179.07033	0.5
182.08096	0.5
189.09058	0.6
190.06761	0.3
191.07144	0.3
191.09125	1.7
193.08563	38.7
194.08873	0.4
195.10156	5.0
203.10629	2.4
221.11682	15.5
235.09610	0.8
241.04893	0.5
241.10608	0.3
257.10175	0.6
267.12219	7.1
271.05945	3.8
287.05444	60.4
288.05719	3.8
301.03055	0.3
303.04944	1.2
305.14954	0.4
317.12183	0.6
335.13318	0.8
357.16916	0.4
375.18021	0.8
449.18552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54121	2.5
55.05499	18.5
55.60590	2.6
56.07741	3.2
57.03431	33.8
57.07069	18.2
61.54353	2.7
67.05495	41.3
69.07067	19.7
71.04919	2.9
71.08614	9.0
77.80923	2.7
79.05479	10.6
79.61588	2.9
81.07047	46.3
83.08595	14.6
85.10158	6.5
91.05454	6.9
93.07024	13.3
95.08588	41.9
95.88660	2.9
97.10133	10.0
98.98455	37.4
102.97683	2.9
105.07005	8.4
107.08585	5.7
109.10153	18.0
113.00004	100.0
119.08534	6.1
121.10124	6.0
123.11671	8.0
133.10112	4.0
136.99977	34.0
145.10042	3.5
155.01027	40.2
165.35216	2.8
169.02603	49.6
187.03633	5.7
193.02531	4.7
211.03627	9.9
245.22501	6.4
263.23688	9.4
288.26358	3.8
313.27267	33.1
337.27310	86.4
338.27457	9.1
449.26459	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.7
55.05511	20.5
57.03426	23.1
57.07061	13.1
59.44721	2.7
62.08333	3.1
67.05494	37.3
69.07058	25.0
70.69254	4.5
71.08620	9.8
79.05476	12.5
81.07043	42.5
83.08605	11.8
85.31742	2.7
91.05482	9.2
93.07030	13.7
95.08585	34.6
97.10166	7.7
98.98476	15.9
105.07019	6.2
107.08604	5.5
109.10131	13.6
113.00005	100.0
119.08556	4.4
121.10139	3.8
123.11694	8.1
125.16122	3.2
133.10123	5.9
135.11685	4.1
136.99983	11.8
143.65269	3.1
155.01013	13.7
169.02594	31.2
187.03680	5.8
193.02504	3.8
263.23752	7.9
287.05444	13.5
309.14899	3.0
313.27292	13.2
337.27307	92.9
338.27563	5.8
348.32529	3.0
403.23862	2.9
449.26587	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	449.2899
Annotation	Xenortide B
Peak:m/z	Relative Intensity
53.99389	3.2
55.05503	18.1
56.40351	3.3
57.07073	6.9
57.33662	3.7
61.16399	3.9
67.05502	25.3
69.07076	32.4
71.19772	5.1
79.05490	11.9
81.07064	34.4
83.04992	3.4
83.08616	17.9
91.05481	22.9
93.07035	15.1
93.39684	3.8
95.08622	34.1
97.10171	18.0
104.28617	3.3
105.07034	9.3
107.08590	13.0
109.10143	17.6
110.51216	3.6
111.11749	7.4
115.26078	3.9
119.04932	26.0
119.08557	12.1
120.00646	3.3
121.10164	13.1
123.11714	8.9
125.09618	4.6
133.10121	10.0
135.11713	15.3
137.05989	6.3
137.13232	3.9
139.11224	5.4
147.04405	100.0
147.11713	6.7
149.13277	3.6
149.77992	4.2
151.11176	6.9
161.13272	7.5
165.05441	8.2
165.12668	3.6
217.19476	21.5
232.53693	3.5
235.20532	19.2
236.70813	3.7
253.21588	6.7
285.24289	4.9
287.05554	25.3
342.50067	3.9
391.24677	5.6
449.31018	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	449.3259
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
53.03941	1.6
53.46696	0.7
55.01870	3.3
55.05502	10.3
56.96561	3.9
57.03416	1.5
57.07066	4.6
59.04995	1.2
59.63114	0.7
65.03934	0.8
67.05494	10.7
69.03415	1.8
69.07056	16.5
69.25044	4.3
71.03788	0.7
71.04960	0.8
71.08630	4.7
76.84328	0.8
79.05499	4.4
81.07042	15.8
83.04964	7.2
83.08624	3.3
85.06544	1.8
91.05477	8.1
92.05849	0.8
93.07034	34.9
95.04955	8.2
95.08596	28.1
95.09211	1.3
97.06533	3.3
97.10155	1.3
97.96795	0.9
98.22710	1.4
105.04488	0.9
105.07022	8.6
107.04951	1.2
107.08577	12.8
109.06509	3.5
109.10142	6.6
111.08074	10.6
111.11713	2.5
113.05979	0.8
117.07011	1.6
119.04892	0.7
119.08575	5.2
121.06488	5.6
121.10127	9.2
123.04412	6.2
123.08041	4.6
123.11707	3.7
125.09599	1.2
127.07534	1.6
131.08557	3.3
133.10104	6.2
135.08047	1.9
135.11681	5.6
137.06023	1.3
137.09595	2.3
137.13263	1.5
139.07521	13.7
139.11171	6.5
142.07730	1.2
143.08521	1.5
145.10123	7.5
147.08060	1.3
147.11711	3.5
149.09621	1.1
149.13235	2.3
151.07550	1.0
151.11177	2.5
153.09061	3.8
157.08691	1.4
157.10103	2.2
159.11708	3.0
161.09607	7.5
161.13173	1.4
163.11153	8.4
165.09169	1.1
167.10686	1.6
171.11723	1.5
173.13216	0.9
175.11131	4.2
177.12727	1.0
179.10631	13.6
181.12202	22.2
181.13792	1.4
187.11212	1.0
189.12773	1.0
189.16400	1.1
191.10666	1.5
199.11208	1.4
199.14954	0.8
203.10696	2.8
204.10904	0.7
205.12227	3.2
207.10164	6.0
207.17479	1.5
209.11722	3.2
217.12234	3.1
219.13821	1.3
241.15811	1.0
245.15353	1.0
255.17477	0.9
259.16864	2.7
273.18451	3.3
275.20029	1.1
283.16980	2.5
287.05478	3.9
291.19321	1.4
301.18030	2.0
315.16266	15.0
316.16818	1.2
319.19025	12.8
319.22537	0.7
320.19260	1.0
333.17249	1.8
389.20346	0.7
389.30057	0.8
395.29376	2.6
403.31921	1.4
413.30380	9.5
431.31509	100.0
432.31772	9.6
449.32581	33.1
450.32843	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	449.3985
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
55.05504	18.2
57.07050	11.3
67.05483	10.2
69.07046	21.3
70.82384	5.9
71.08609	12.0
81.07029	10.4
83.08611	22.3
85.10172	6.2
91.05450	7.0
93.07034	7.8
93.75156	3.6
95.04958	6.9
95.08588	13.5
95.46442	3.9
97.10140	17.2
107.08617	5.2
109.06454	3.8
109.10136	13.4
111.08066	8.8
119.08544	13.4
119.45049	3.8
121.06528	4.6
121.10182	6.3
123.04400	7.1
133.10094	5.2
135.11755	4.8
137.09576	18.9
139.07521	29.9
147.11586	5.9
151.11142	13.1
161.13214	4.1
165.09087	13.6
165.12701	5.3
167.94890	3.9
179.14258	10.4
193.15811	7.6
207.17514	4.5
236.32440	3.8
296.12119	4.1
312.21411	3.8
347.29187	4.8
403.39236	29.1
431.38739	88.1
432.39047	5.3
449.39835	100.0
450.40103	8.4
462.11850	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	450.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.9
57.03432	23.7
59.05002	3.8
59.27066	1.9
59.80737	2.0
61.02925	19.8
62.77395	1.9
65.03907	2.3
69.03425	43.0
70.06573	2.2
70.08163	2.0
70.08512	6.2
71.01347	6.4
71.04993	3.1
73.02912	100.0
78.20525	2.1
79.05500	3.0
80.38241	1.9
81.03421	4.1
84.08136	2.7
85.02896	84.4
87.04454	6.0
91.03970	6.3
97.02888	70.5
98.97579	3.1
99.04463	3.3
103.03915	3.9
107.04925	3.8
109.02901	7.2
109.06526	2.6
115.03922	40.8
118.31078	2.0
121.02859	74.9
123.04420	4.0
127.03904	29.8
133.04950	42.1
134.05234	2.8
135.04327	2.3
137.05864	2.3
139.03885	96.5
139.04971	4.8
144.06548	5.7
145.04938	37.0
147.04341	2.5
150.07616	5.0
156.06546	3.3
162.07545	2.3
163.06047	11.4
163.07300	2.7
180.08672	3.3
181.04929	11.7
185.36850	2.2
223.06009	4.8
241.07039	8.4
259.08179	6.4
277.09058	2.8
283.08032	4.8
285.30536	2.0
288.05804	2.7
295.30447	2.4
298.37399	2.1
307.71207	2.1
311.57657	1.9
387.21063	2.1
390.14984	2.9
392.94641	2.2
450.14505	6.3
450.27747	2.3
462.70267	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45919	0.7
57.03434	4.2
60.10681	0.8
60.58553	0.7
61.02916	2.2
66.45973	0.8
69.03424	5.7
69.81816	0.7
70.06577	1.3
70.53442	0.8
71.04959	0.8
71.40977	0.8
72.08147	1.3
73.02534	1.4
73.02913	17.6
75.04459	3.8
81.03445	1.0
85.02899	8.9
87.04425	0.8
91.05443	1.4
93.06988	0.9
94.38603	0.8
97.02853	4.6
99.52356	0.7
105.39371	0.8
109.02811	0.7
115.03922	4.2
120.08077	3.7
121.02863	19.0
121.06506	9.2
127.03937	4.8
133.06480	0.9
137.05963	100.0
138.06322	3.3
139.03886	11.9
139.07552	2.0
145.04962	2.5
149.05946	1.7
151.07454	1.1
161.05942	1.4
166.79675	0.7
172.60245	0.8
175.07536	3.5
176.07750	0.8
177.05553	1.1
179.07016	34.0
180.07390	1.1
189.09062	1.5
197.08128	4.8
205.08615	1.2
207.10097	1.7
217.08588	1.3
235.09599	1.9
253.10712	7.7
261.06531	0.9
271.11758	18.7
272.12262	0.9
283.08118	10.3
287.05603	1.5
288.05948	5.0
297.17398	0.8
356.37976	0.7
450.13242	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	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.5
57.03429	19.5
59.04979	2.5
61.02633	1.6
61.02916	20.3
69.03416	40.3
69.79556	3.3
69.79948	3.2
71.01330	4.7
71.04980	2.2
73.02904	89.1
81.03408	8.4
83.04954	2.5
83.56065	1.6
84.08096	1.6
85.02892	100.0
86.09660	2.4
87.04467	6.6
91.03927	4.5
91.05467	3.4
93.07000	3.8
97.02875	65.3
98.03244	1.4
98.23421	1.9
99.04413	5.3
103.03902	3.8
103.05415	2.3
109.02863	8.5
111.04414	1.9
115.03911	33.9
117.06995	2.1
121.06488	59.2
122.06818	2.7
123.04416	4.6
127.03888	27.8
131.08553	2.4
133.04939	39.1
135.04457	1.7
135.09119	1.7
137.05881	1.8
139.03838	2.6
145.04930	48.2
145.06439	9.0
147.08000	1.9
150.07587	6.1
151.03955	1.5
151.07513	1.7
157.06491	2.7
159.08058	6.8
163.03856	2.1
163.05974	17.0
163.07477	4.1
175.07504	11.4
179.03351	1.4
179.07037	2.8
182.35124	1.4
187.07530	20.1
189.09023	1.9
199.05896	2.1
199.07541	2.9
205.08575	17.4
217.07031	1.6
217.08606	18.8
223.06027	6.7
229.08504	5.5
235.09590	9.8
241.06956	7.5
247.09601	7.5
253.10606	3.5
259.08090	10.2
263.38904	1.6
265.10742	6.9
277.09174	1.9
295.10153	4.1
317.01959	1.6
335.09207	1.9
336.09766	1.9
362.88425	1.6
450.16031	20.2
451.16302	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98646	0.6
53.03941	0.6
55.01866	1.8
57.03423	2.4
61.02908	1.9
62.06073	2.8
65.03922	2.1
67.05491	1.8
69.03420	5.0
69.07061	1.1
70.06569	2.1
71.01333	0.9
71.04977	2.9
71.06513	0.7
71.06870	0.7
72.08145	1.6
73.02910	12.0
79.05473	1.0
81.03406	2.1
81.07039	1.2
83.04964	0.7
84.04478	1.1
84.08139	0.7
85.02895	10.7
86.09715	1.7
87.04441	1.3
91.05469	25.6
92.05805	0.8
93.07050	7.6
95.04956	2.3
95.08566	1.2
97.02885	7.9
98.09705	0.9
99.04468	1.1
105.07030	1.2
107.04942	2.8
107.08569	0.8
109.02872	1.5
109.06507	7.4
109.10134	1.0
111.04393	0.9
115.03910	5.4
116.04249	0.9
116.04964	8.6
119.05317	0.8
119.06035	4.7
119.08573	0.9
120.08091	2.4
121.02867	2.4
121.06490	100.0
122.06834	2.0
123.08050	0.7
127.03915	5.8
127.07567	1.0
133.04948	3.1
133.10184	1.0
136.07585	0.7
137.05946	2.1
137.09587	0.9
139.07520	3.1
145.04933	5.1
145.08598	2.2
145.10077	0.9
146.08952	1.2
147.04353	1.4
147.08052	0.9
149.09673	0.9
154.04964	1.7
163.05984	1.9
163.07504	1.1
163.11177	1.0
171.11687	0.8
175.07527	2.3
187.07471	0.8
189.09111	0.8
208.22304	0.6
210.14917	0.7
217.08591	1.1
226.10622	0.8
235.09648	1.6
254.08063	1.0
287.05353	0.8
288.05820	1.2
450.11047	12.9
450.28552	1.7
451.11816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13052	1.7
57.03423	4.9
69.03427	3.1
69.72578	5.9
72.08148	5.5
72.58871	1.9
73.02911	10.5
81.03405	5.0
84.08144	4.0
85.02885	8.0
86.09695	3.0
86.41979	1.6
91.05526	1.9
95.04934	1.6
97.02899	4.0
98.23438	2.5
99.04453	2.3
107.04954	2.3
109.02892	5.1
111.04495	1.6
119.04882	1.7
120.08079	7.0
121.02846	14.6
123.04411	2.4
127.03889	11.2
127.13226	1.7
137.05971	100.0
139.03893	6.2
145.04930	2.3
151.07602	2.5
153.01776	2.6
161.05956	4.3
164.04654	3.6
165.09074	1.9
175.07552	10.2
179.07016	70.0
193.08582	2.2
197.08107	1.6
217.08620	4.0
221.08113	1.8
235.09608	2.4
253.10669	7.7
257.13757	2.1
271.11658	7.0
283.07932	4.2
287.05450	13.0
287.08722	4.0
288.05783	34.9
323.11075	2.1
361.12967	4.6
379.13947	10.7
379.17911	2.1
397.15091	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	450.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37429	0.4
62.34866	0.3
65.03923	0.4
67.05473	0.4
67.73025	0.3
69.09098	2.3
72.18931	0.3
79.05477	1.3
81.07033	0.7
83.55636	0.3
90.04690	0.5
91.05479	2.8
93.07034	0.8
95.04952	0.5
96.46601	0.4
103.05450	0.8
105.03326	0.5
105.07010	0.8
106.04161	0.6
107.04938	5.8
108.05756	2.5
109.06524	0.5
117.06985	0.8
119.08504	0.5
121.06486	1.5
131.04910	1.3
133.06483	1.0
135.04388	1.9
135.08028	1.4
136.05177	6.1
137.05954	2.5
145.06435	1.0
146.07275	1.1
147.08037	4.7
149.05931	0.5
150.06746	1.8
151.07521	100.0
152.07872	2.5
157.06384	0.3
159.08006	0.5
160.08827	0.9
161.05992	0.5
161.09576	0.6
162.06729	0.6
163.07538	3.6
163.09703	0.3
164.08267	0.5
165.09087	8.4
171.08008	0.7
172.08769	0.4
173.06013	0.4
174.06697	0.7
175.07536	1.2
176.08298	0.8
177.09102	9.0
179.10580	0.9
185.09686	0.4
186.10339	0.7
187.07520	0.8
188.08321	1.0
189.09087	2.0
191.10606	2.9
202.09850	1.0
203.10672	2.7
217.12245	3.7
231.13785	0.4
239.54050	0.4
267.48193	0.3
277.12064	0.4
306.07080	0.3
323.16534	0.7
334.20688	0.4
340.16629	12.4
341.16901	0.7
355.19006	13.2
356.19247	0.8
373.20093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27286	4.4
55.05512	7.9
55.84928	4.5
67.05493	52.0
69.07030	7.8
69.64098	5.2
70.06588	9.3
70.12990	11.7
79.05484	10.5
81.07040	56.0
83.08612	6.6
88.07640	7.3
91.05466	18.4
93.07027	9.7
95.08585	49.0
102.09164	7.6
107.08580	7.9
109.10133	29.5
119.04921	29.8
121.10132	9.3
123.11669	11.2
133.10117	8.0
135.11665	8.3
137.09613	7.5
143.03421	6.2
147.04376	100.0
147.05449	8.5
149.02322	41.4
151.11179	6.8
165.05453	13.9
177.05473	7.4
188.40315	4.9
192.70323	4.8
193.04980	39.9
215.17938	17.6
221.08139	13.2
233.19028	15.2
251.20076	38.9
256.26395	6.6
284.29501	15.0
450.32050	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14846	10.8
55.05503	42.5
57.07061	23.3
67.05492	62.1
67.75726	10.6
69.07055	80.8
71.08625	32.9
79.05491	21.6
80.94865	11.3
81.07043	88.7
83.08598	64.2
85.10167	16.0
87.00845	32.9
88.07636	21.0
91.05488	21.4
93.07042	31.3
94.24256	11.5
95.08591	81.7
97.10194	34.3
98.92775	10.6
107.08590	28.1
109.10140	51.4
109.45042	11.6
111.75310	12.0
119.04944	22.1
120.55953	11.4
121.10149	43.9
123.11730	29.5
135.11662	33.5
137.31552	10.1
139.11162	20.1
147.04387	77.2
149.02367	48.7
149.13214	22.6
165.05429	14.7
193.04977	59.2
219.21053	36.4
237.22131	100.0
251.20107	30.4
255.23177	96.1
284.29544	36.0
323.22260	56.8
341.23206	51.5
359.24524	14.9
397.25916	14.5
415.26834	97.8
450.32410	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05755	0.8
60.78252	0.9
60.78594	0.7
62.06086	10.4
69.63876	3.1
78.99290	0.9
85.02879	1.1
98.97576	3.3
115.38165	0.8
127.03879	1.0
143.01917	1.0
145.03412	1.3
158.99628	1.2
161.02959	1.5
172.77039	1.0
173.02925	1.9
189.00739	1.8
197.02773	1.0
217.01718	0.9
217.03662	1.2
219.01837	1.2
221.05023	1.6
237.02820	1.3
239.04852	1.1
245.04926	1.0
257.05090	1.3
262.73642	1.0
271.06519	1.1
292.57932	1.1
317.07220	5.5
319.07004	2.9
333.04929	2.8
335.08066	2.2
351.05981	2.5
445.34341	0.9
451.04788	100.0
451.10904	5.2
452.05136	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	451.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.1
56.96554	13.4
67.05480	5.8
69.07050	6.5
69.86285	3.5
70.57032	5.8
78.92502	2.7
79.05477	3.3
81.07050	6.9
82.31472	3.2
83.04964	4.5
84.95993	4.7
85.02883	4.5
91.05470	7.3
95.04963	3.5
95.08592	7.6
97.06506	24.4
98.97564	42.8
105.07063	3.4
107.08591	3.7
109.10160	6.0
110.97536	14.6
112.99131	4.0
114.28038	3.0
116.98606	19.1
119.08611	3.7
128.98587	15.6
134.99663	6.3
135.04385	3.2
137.05943	8.7
143.00119	4.2
145.10106	3.1
146.99643	5.0
158.99623	4.6
161.01198	3.4
161.02322	4.6
163.03891	12.6
170.99648	4.8
173.02328	7.8
177.00613	5.2
189.00719	3.2
198.30905	2.7
201.00728	3.6
203.02365	4.4
206.53008	3.1
215.06938	8.6
219.01698	22.5
224.03552	7.9
237.02771	45.2
255.03949	3.7
259.09647	23.8
261.02847	7.5
281.06955	6.0
347.07712	3.8
365.09283	9.3
383.09955	27.9
407.10919	9.1
451.09927	100.0
451.19266	6.4
452.10535	5.3
472.90344	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	451.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81604	1.1
56.96280	1.8
56.96554	24.4
63.39152	1.2
64.70279	1.2
69.03416	3.2
69.26929	1.9
69.27337	4.6
70.06570	2.0
70.98107	10.6
72.08132	3.1
73.02921	1.3
84.96018	6.9
85.02899	2.8
86.23891	1.2
88.99120	5.8
91.05472	1.4
93.07032	1.3
97.02887	2.3
98.97562	100.0
107.00119	1.6
110.97522	8.3
112.99123	3.3
116.98598	56.3
120.08081	3.2
121.06487	2.2
122.06786	1.3
127.03923	2.4
128.98579	10.2
129.02182	1.4
129.10197	1.2
131.00143	7.4
134.99631	18.4
140.98634	2.0
143.00090	5.5
144.98100	1.6
146.99655	3.6
147.03241	4.1
149.01163	4.5
153.00652	2.6
158.99628	15.9
160.36490	1.1
161.01157	8.4
161.04875	1.5
162.99094	1.3
163.02711	2.8
164.06955	1.2
169.01614	1.9
170.99567	3.1
173.01228	1.8
177.00679	23.6
177.04259	1.7
179.02237	1.8
182.99622	1.6
187.02759	13.9
189.00687	3.8
191.02263	1.4
194.99640	2.8
195.01648	2.1
201.00684	7.2
203.50462	1.1
205.03796	36.9
213.00705	4.9
219.01709	37.3
220.01965	1.3
223.04866	9.5
229.03761	25.8
233.03328	2.4
237.02785	43.9
243.05380	2.3
247.04852	41.6
255.03754	2.2
255.09335	1.5
261.02802	55.2
261.05737	2.7
262.03009	1.3
265.05881	4.1
271.04645	1.8
275.04248	2.3
279.03806	75.4
280.04202	3.3
289.05872	45.0
297.04898	3.0
302.05408	3.5
303.07437	2.8
305.57776	1.1
307.07043	3.5
321.04886	28.4
322.05563	1.4
330.46271	1.4
331.07108	1.9
451.14142	14.9
451.21301	17.0
451.27283	2.4
452.14240	1.8
452.22803	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10304	1.5
56.96532	2.6
59.03433	1.7
70.06581	3.6
70.61413	3.5
72.08147	2.3
79.89018	1.5
81.53410	1.9
83.04933	1.6
85.02876	2.6
90.92738	1.6
95.04965	2.3
97.02876	2.1
98.67999	1.6
111.04431	10.0
120.08042	1.6
127.03912	1.8
134.99652	1.7
141.76208	1.5
157.04942	100.0
319.13574	2.4
451.12103	11.7
451.17749	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1574
Annotation	AN-7
Peak:m/z	Relative Intensity
51.10994	0.8
54.10576	0.8
56.96558	1.9
57.03418	0.8
63.17350	0.8
67.34922	0.8
69.03413	2.4
70.06591	1.6
72.08145	3.9
73.02909	4.9
75.79030	0.8
79.05478	1.2
81.07050	3.3
85.02888	3.9
86.09736	1.1
91.05475	1.5
93.07027	1.3
93.23723	0.9
95.08594	1.7
97.02898	2.2
97.84563	0.9
98.97582	4.0
104.91537	0.8
105.07027	1.0
110.97571	2.3
115.03918	1.3
116.98629	2.8
120.08096	5.1
121.06501	2.7
121.10094	1.0
122.06809	1.7
127.03905	1.9
128.98592	2.8
133.05025	1.4
135.08080	0.9
136.07596	1.9
137.05951	2.2
140.10696	11.2
144.08087	1.2
145.04968	1.1
146.99672	1.8
153.59662	1.0
159.07985	1.2
159.09213	1.0
175.08713	1.0
219.01738	3.8
237.02802	4.8
240.11823	0.8
265.86456	1.0
272.14951	1.6
302.15887	3.8
305.05521	1.3
313.34851	1.0
355.81766	0.9
410.07651	3.4
451.15744	100.0
452.15970	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	451.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21225	0.3
58.46303	0.3
58.49320	0.3
69.71484	1.1
99.12273	0.4
99.79243	0.3
124.32446	0.3
157.04968	0.7
157.08318	0.7
168.69836	0.3
319.13593	12.1
443.53445	0.3
451.17798	100.0
452.18124	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	451.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01857	3.3
56.34724	1.7
57.03428	9.5
61.02915	14.0
67.05474	3.0
69.03423	23.3
70.06573	5.9
71.01344	3.1
71.04990	2.8
71.43699	1.9
73.02908	73.1
79.05480	2.3
81.03406	5.1
81.07050	3.2
85.02894	100.0
85.92198	2.0
86.03196	4.2
91.03911	2.2
91.05472	2.5
95.04971	3.8
97.02883	44.2
98.03226	3.5
98.97556	2.2
99.04444	4.2
103.03928	6.3
108.08104	8.8
109.02865	12.8
112.07555	3.3
115.03932	10.3
116.04267	2.5
121.06486	16.5
122.06014	5.3
122.06844	10.7
125.05996	3.9
126.05515	4.0
126.09115	2.3
127.03899	35.8
133.04919	7.0
136.07542	9.9
137.05952	6.8
139.07565	2.3
140.07043	74.9
145.04944	38.7
146.05318	3.4
150.07616	3.9
150.09122	3.2
152.07027	15.7
154.08606	5.8
163.06013	37.8
163.07365	1.5
164.07036	16.3
166.08641	1.7
178.08606	17.1
181.07076	2.4
182.08109	86.7
183.08401	2.6
206.08083	43.8
218.08147	4.2
219.01797	2.3
223.06024	2.3
236.09338	7.4
247.09312	1.8
248.09178	10.1
260.08633	3.7
266.10266	3.3
271.11136	2.1
284.11255	9.6
289.11902	2.2
289.54691	1.7
302.12302	27.5
310.52560	1.7
360.54916	1.8
451.14819	9.9
451.20837	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	451.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22663	5.5
79.05496	1.2
81.07044	1.5
91.05476	1.0
93.07026	2.7
95.04914	1.0
95.08584	1.2
105.07025	2.1
145.87346	0.9
147.11729	1.2
150.66911	0.9
164.89359	1.0
201.03612	1.6
203.05229	100.0
204.05643	2.1
244.08029	2.2
271.16650	17.9
289.77692	1.0
330.47437	1.1
338.33313	1.0
451.22931	12.9
452.22754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23988	1.1
93.07005	0.8
95.08513	0.6
96.21525	0.5
140.93633	0.6
185.04155	6.0
271.16647	14.0
289.17685	100.0
290.18021	4.7
333.20325	0.8
451.22983	82.4
452.23138	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	451.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04681	0.7
55.05503	1.1
56.96284	1.4
56.96559	26.7
57.07064	2.2
59.86940	0.6
67.05504	1.6
69.07067	1.2
71.08643	1.5
71.95230	1.1
72.96008	0.8
74.54275	0.6
74.97610	0.9
79.05436	1.1
79.80117	0.7
81.07038	1.7
84.96004	0.8
85.10165	1.0
89.06013	2.5
93.06997	1.0
95.08611	1.6
95.57166	0.7
97.10143	0.7
97.96771	2.6
98.23419	1.8
98.97575	2.1
102.26544	0.7
105.06983	1.0
107.08533	0.7
110.97559	2.6
115.97829	2.2
116.98613	2.0
119.08556	0.9
121.10155	0.7
123.01200	1.4
123.08024	0.7
128.98593	6.5
131.00168	1.3
133.08546	0.9
133.10129	0.8
133.98848	1.5
134.99620	1.3
137.02750	1.6
146.99672	3.8
149.01190	0.9
149.40614	0.8
155.03833	1.3
155.21022	0.7
161.01247	0.7
169.05392	1.2
171.03265	1.2
179.02293	0.7
185.04994	0.8
189.04298	1.2
190.05080	0.8
203.05934	0.7
209.08414	0.7
220.20572	0.7
245.10616	1.3
279.12701	2.1
317.17825	100.0
318.18204	6.1
319.19260	0.9
333.17328	1.6
335.18909	42.2
336.19153	2.3
353.19797	1.0
358.20386	9.0
391.21561	8.2
395.07495	1.8
404.84299	0.7
451.30011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	33.4
67.05499	1.0
68.99491	0.6
69.07049	1.0
69.28539	2.5
71.95242	1.8
72.96040	1.1
74.97608	0.9
81.07043	1.1
83.08594	0.7
84.96004	0.6
88.96410	0.6
92.98631	0.6
95.08614	0.9
97.96790	2.4
98.97557	1.5
105.00129	1.0
107.08560	0.5
109.10110	0.7
110.97563	1.4
112.99136	0.8
113.00041	0.5
115.97851	2.5
116.98609	1.5
119.01706	0.8
122.13502	0.5
123.01163	1.9
128.98587	2.6
130.44266	0.7
131.00162	1.3
133.98846	1.2
134.99663	0.6
137.02754	2.5
141.02237	1.6
146.99617	1.4
148.00479	0.6
149.01218	1.7
151.04263	1.2
155.03804	2.6
159.03265	1.4
161.01202	0.7
161.59427	0.5
167.03740	1.3
169.05330	1.4
169.43051	0.5
171.03354	0.5
172.04059	0.5
173.04823	0.9
177.04416	0.7
181.05284	0.6
183.03362	1.0
185.04834	4.0
193.08913	0.8
195.07039	0.6
197.04808	0.9
203.05847	2.4
210.05585	0.6
211.10031	1.0
237.07994	1.5
255.08994	0.9
259.14307	0.6
317.17825	100.0
318.18152	5.4
319.19437	0.7
333.17136	0.6
335.18884	53.0
336.19342	3.1
353.19653	1.1
358.20486	11.9
359.20746	1.4
361.20035	0.5
373.20557	1.1
391.21564	8.7
392.21411	1.0
395.24356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99830	1.5
59.78625	0.4
67.05485	0.9
69.07033	0.7
71.44128	0.7
75.26103	0.5
77.00900	8.0
79.05465	0.9
81.07011	1.7
91.05446	0.6
93.06995	1.1
95.01421	0.6
95.01936	6.5
95.04915	0.5
95.08567	2.0
105.07042	0.6
109.10107	0.7
123.11709	0.6
134.30243	0.5
155.09138	0.7
169.10759	0.6
211.15331	1.0
213.09621	0.8
217.10707	2.0
219.12256	3.8
224.40178	0.5
225.13365	2.0
231.10655	0.5
235.11766	1.8
237.13309	54.5
238.13506	4.0
243.14360	14.2
244.14635	0.8
253.12909	2.3
255.14374	100.0
256.14581	7.1
260.14935	1.5
261.15390	2.9
266.15967	0.6
273.15436	12.5
278.15982	5.6
278.94235	0.5
296.17020	0.9
400.04968	0.5
451.28961	28.1
452.29446	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3416
Annotation	Stellattasterenol
Peak:m/z	Relative Intensity
53.03941	3.2
54.19566	1.2
55.01869	7.2
55.05503	22.8
57.03437	4.4
57.06802	2.2
57.07069	17.0
58.42950	1.2
59.05000	3.9
67.05495	35.4
69.03431	2.1
69.07058	49.5
71.04988	1.8
71.08626	18.8
77.03907	1.3
79.05489	14.2
81.07048	55.9
83.04974	17.3
83.08619	9.5
85.06538	3.4
91.05463	16.8
93.07030	83.6
94.07362	1.2
95.04945	6.8
95.08593	100.0
97.06508	11.1
97.10165	3.3
99.08072	1.3
105.04507	2.3
105.07021	22.8
107.04953	2.4
107.08576	31.4
109.06507	8.7
109.10148	25.6
110.99159	1.2
111.08073	35.9
111.11691	5.9
113.05992	1.4
117.07003	2.2
119.08566	18.2
121.06496	12.0
121.10133	19.0
123.08066	11.5
123.11684	22.1
125.05978	3.3
125.09639	6.8
127.07547	5.6
131.08556	5.6
133.10104	14.3
135.08043	9.2
135.11664	11.5
136.07306	1.2
137.09618	5.4
137.13220	6.9
139.07526	46.0
139.11166	14.6
143.08556	4.0
145.10126	9.0
147.08009	1.2
147.11705	13.3
149.09572	2.6
149.13213	5.9
151.11133	9.1
153.09077	22.6
157.08649	4.4
157.10155	4.4
159.11670	8.6
159.81139	1.1
161.09732	2.3
161.13243	5.1
163.11163	14.1
163.14822	2.1
165.09109	6.3
165.12778	5.4
167.10661	8.7
171.11710	3.0
173.09637	3.1
173.13330	3.7
175.11188	5.1
175.14804	2.3
177.12721	3.3
177.16330	1.3
179.10651	10.3
179.14320	1.8
181.08690	2.8
181.12210	65.1
183.11731	2.3
185.13141	1.6
187.11177	4.0
187.14758	2.8
189.12712	8.6
189.16388	2.4
191.10619	3.9
191.14314	3.1
191.17783	2.7
193.12286	5.2
193.15868	1.4
195.13782	12.5
203.17883	1.4
205.12209	11.6
207.13783	7.8
209.11703	34.9
209.19017	2.5
219.13823	6.8
221.15392	1.3
221.19008	3.0
223.20602	4.6
225.16716	1.5
229.15860	2.1
233.15395	1.8
237.14769	6.8
239.17975	1.7
245.22542	2.2
247.16953	4.3
249.18509	2.3
249.62784	1.3
257.19037	4.3
259.16983	5.0
261.18539	3.8
267.17389	2.0
273.18457	4.8
275.20032	35.0
276.20386	2.5
277.21634	9.6
277.25110	2.7
285.18387	10.8
287.20044	2.5
293.21121	3.8
303.19507	6.5
303.23138	6.1
321.24261	2.2
331.16006	1.7
369.31647	2.8
371.33133	2.6
373.30893	2.6
379.29962	1.9
391.31967	2.1
397.30945	30.4
398.31262	2.9
404.36484	1.4
415.32028	59.8
416.32254	4.5
433.33057	95.2
434.33502	8.9
451.28476	1.6
451.34146	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	452.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01867	0.3
55.05502	0.5
57.07067	7.5
58.06569	0.3
67.05491	0.3
67.14415	0.2
69.03423	2.7
69.07034	0.3
70.06626	0.2
71.04987	0.3
73.02910	0.3
79.05487	0.2
79.43871	0.2
81.03404	4.3
81.07050	0.5
83.04929	0.2
83.08561	0.3
85.02889	2.0
85.06534	4.4
93.07045	0.4
95.08585	0.3
97.02873	3.3
99.04446	0.7
99.07976	0.2
100.11245	1.2
103.07572	0.5
105.06976	0.3
107.08588	0.3
109.02868	2.3
109.10136	0.4
111.04377	0.3
121.10063	0.3
123.08035	0.2
124.00246	0.2
127.03900	2.8
132.04437	7.4
134.01173	0.2
137.05972	0.4
137.09596	0.4
140.10631	0.5
145.04932	1.0
145.10048	0.3
160.03809	0.5
163.03908	0.3
178.04965	64.4
179.05327	1.9
182.15390	0.4
193.04126	0.2
206.04456	100.0
207.04793	2.9
209.16504	0.4
210.14799	0.4
229.10655	3.8
285.23599	0.3
390.32965	0.2
435.32675	0.3
452.10367	0.5
452.15701	0.9
453.16116	0.6
453.21033	1.0
453.34097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.4
56.05015	8.3
57.03427	9.0
67.05518	12.1
69.03435	8.4
69.48632	8.0
70.06592	13.8
71.30116	8.3
75.88123	8.2
81.03409	9.1
81.07052	14.5
83.08620	20.2
84.04530	7.9
84.08183	7.5
84.08754	7.3
85.02876	10.6
91.05462	12.0
97.02886	13.2
100.11261	65.9
107.04974	8.1
107.08572	9.1
111.04437	13.0
120.08109	8.8
121.02876	14.6
123.11633	9.2
127.03924	10.7
129.06950	15.0
131.04938	11.1
132.04457	18.1
137.05931	82.2
140.10703	9.0
149.05994	11.8
151.07497	64.2
157.06525	11.8
161.06001	20.3
163.07545	16.9
175.07629	9.0
178.04959	60.6
182.15396	20.2
189.09137	29.4
195.08075	11.1
206.04462	100.0
209.16563	14.7
210.14853	24.0
223.07617	10.0
227.10707	13.4
253.08755	9.9
253.12411	9.6
255.09921	9.6
287.12762	24.7
291.11816	9.4
313.14279	42.6
331.15363	30.4
405.18985	37.4
423.15213	8.4
435.33322	12.7
452.19226	8.7
452.25250	15.3
453.16138	10.7
453.20892	32.1
453.26059	8.8
453.34406	81.2
463.97916	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01858	7.5
55.05495	4.3
55.73623	2.5
57.03428	19.8
57.07062	4.3
61.02913	13.5
65.03921	5.2
67.05492	84.9
68.60934	2.0
69.03412	38.5
69.07050	4.8
69.31659	10.7
69.32073	4.2
71.04979	4.7
73.02900	66.3
74.21664	2.4
79.05493	5.4
81.03389	9.5
81.07040	74.6
83.04949	4.8
85.02890	100.0
85.03411	5.1
87.04444	4.5
91.03947	3.0
91.05434	3.1
92.95776	2.3
93.54108	2.5
95.04897	3.7
95.08578	8.4
97.02872	62.8
97.06508	4.3
99.04408	4.7
100.11225	9.1
103.03954	4.5
105.07012	4.5
107.08562	4.0
109.02866	13.1
109.06488	2.6
109.10117	5.6
115.03925	33.9
121.10061	2.8
123.11681	89.8
124.43651	2.3
127.03895	36.3
133.04955	42.4
133.10112	4.1
137.05942	2.5
145.04938	53.7
151.11159	6.0
163.05972	20.9
169.12201	5.9
174.18483	6.3
175.18848	5.3
180.20386	2.5
182.15524	5.2
210.14900	3.4
217.07033	4.5
223.05981	7.8
241.06964	12.5
255.15768	2.8
259.08054	16.3
291.15616	3.1
295.10126	10.7
299.40689	2.5
301.88275	2.6
318.98248	2.5
453.20734	7.9
453.34369	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	452.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01858	7.5
55.05495	4.3
55.73623	2.5
57.03428	19.8
57.07062	4.3
61.02913	13.5
65.03921	5.2
67.05492	84.9
68.60934	2.0
69.03412	38.5
69.07050	4.8
69.31659	10.7
69.32073	4.2
71.04979	4.7
73.02900	66.3
74.21664	2.4
79.05493	5.4
81.03389	9.5
81.07040	74.6
83.04949	4.8
85.02890	100.0
85.03411	5.1
87.04444	4.5
91.03947	3.0
91.05434	3.1
92.95776	2.3
93.54108	2.5
95.04897	3.7
95.08578	8.4
97.02872	62.8
97.06508	4.3
99.04408	4.7
100.11225	9.1
103.03954	4.5
105.07012	4.5
107.08562	4.0
109.02866	13.1
109.06488	2.6
109.10117	5.6
115.03925	33.9
121.10061	2.8
123.11681	89.8
124.43651	2.3
127.03895	36.3
133.04955	42.4
133.10112	4.1
137.05942	2.5
145.04938	53.7
151.11159	6.0
163.05972	20.9
169.12201	5.9
174.18483	6.3
175.18848	5.3
180.20386	2.5
182.15524	5.2
210.14900	3.4
217.07033	4.5
223.05981	7.8
241.06964	12.5
255.15768	2.8
259.08054	16.3
291.15616	3.1
295.10126	10.7
299.40689	2.5
301.88275	2.6
318.98248	2.5
453.20734	7.9
453.34369	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	453.07
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24983	1.0
56.18284	0.9
56.96556	73.5
62.06079	1.8
69.03423	1.0
70.06577	9.7
72.08144	1.3
74.06052	1.4
81.03411	1.2
84.08129	2.0
84.96027	3.1
85.02872	2.1
86.09682	1.0
89.03925	2.8
98.29450	1.0
98.97568	14.5
103.05507	1.0
112.08716	1.7
112.99131	3.4
115.03905	1.2
116.98607	8.1
117.03345	1.9
120.08100	2.5
122.06044	1.2
123.01153	1.4
124.99098	6.2
127.00667	2.0
128.98637	1.6
131.00183	6.3
134.99629	3.1
135.04425	4.9
139.00668	1.7
141.02191	8.4
143.00150	17.6
145.01733	2.0
145.02824	3.5
147.04311	2.3
149.01201	5.9
151.00647	1.1
157.01689	3.0
159.03294	16.6
161.01207	21.9
163.03877	16.6
164.07037	1.2
165.02255	1.3
167.00166	4.1
168.98106	1.7
169.01755	8.2
170.99600	1.9
175.00633	6.9
177.04362	2.5
179.02248	2.5
185.01221	12.9
186.99101	4.0
187.02777	18.0
189.00586	4.9
189.06688	1.2
191.00117	3.9
193.01700	18.7
194.99661	4.2
203.02235	19.7
205.00203	3.6
205.03853	4.2
207.01736	1.1
209.01169	12.4
211.02759	24.1
213.00690	14.3
218.99504	6.5
221.03308	12.1
227.02190	4.8
229.03845	6.2
231.01727	25.5
237.00668	31.0
249.02800	21.8
254.03394	1.6
255.01717	86.2
256.01990	1.7
267.03894	3.5
273.02777	100.0
274.03073	2.4
275.03137	1.3
278.03339	2.5
291.03857	3.2
305.03275	2.5
307.04834	1.6
311.04419	1.3
323.04349	7.3
331.04965	3.3
341.05524	1.7
347.04214	2.5
349.02155	2.5
349.06039	5.6
365.05173	5.9
367.03195	8.8
367.06934	2.2
375.03812	7.2
385.04276	1.6
393.04837	23.9
411.05893	47.2
429.06976	29.6
430.07019	1.8
434.07303	1.5
434.59158	1.2
440.74411	1.0
452.25815	1.2
453.06821	11.3
453.19247	2.7
471.07990	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.6
53.03904	0.5
55.01861	2.6
55.05469	2.1
65.03924	0.6
67.05461	1.8
68.99758	1.6
69.03389	1.7
69.58637	0.5
74.92268	0.5
77.03893	1.2
79.05480	3.9
81.03401	2.3
81.07021	0.5
83.08584	0.7
85.02881	1.1
87.72641	0.5
89.03881	1.8
91.05463	4.9
93.03400	5.1
95.01292	0.8
95.04950	4.6
97.02821	0.7
100.11243	6.7
105.03359	1.3
105.04460	1.0
105.06979	0.8
107.01253	0.6
107.04943	6.9
109.02848	1.3
111.04410	2.5
115.05412	1.5
117.03365	2.2
119.04922	8.7
119.08542	0.5
121.02849	0.8
123.04411	74.2
124.04725	1.2
125.06013	0.4
127.03864	1.1
129.07054	0.6
131.04890	1.5
133.06467	1.2
135.04396	16.5
137.02325	46.0
137.03387	2.4
137.05887	2.5
138.02673	0.8
139.03868	5.1
139.08632	0.6
143.04933	2.9
145.02850	2.9
145.06491	0.5
147.04382	26.2
148.04794	0.5
149.02280	0.5
149.05934	1.0
151.03859	1.4
153.01781	1.9
153.05450	0.7
155.61421	0.5
159.04396	1.0
161.02301	0.6
161.05957	12.3
163.03877	34.7
164.04272	0.8
165.01816	4.9
165.05453	13.8
167.07028	2.0
171.04395	1.8
173.05943	1.6
175.03839	0.9
177.01886	1.1
177.05429	2.6
179.03351	4.5
179.07001	3.3
181.06468	0.5
182.15404	2.2
183.02905	2.5
185.04251	1.5
185.05968	1.1
187.03871	2.9
189.01846	1.0
189.05499	3.0
191.03358	100.0
192.03722	3.2
195.02837	0.9
197.06024	0.6
199.03862	1.0
201.05432	1.0
203.03337	6.6
203.05055	0.9
203.07027	1.1
203.10385	3.0
205.04935	3.4
207.02980	2.7
207.06485	10.2
209.04366	0.7
209.16486	2.0
210.14833	2.5
213.05472	2.2
214.05913	0.5
215.07091	0.7
217.05009	1.5
221.04356	4.4
229.04950	1.3
231.06555	0.6
233.04385	3.2
241.04855	2.4
243.06465	0.7
247.05983	2.1
249.07492	0.6
255.13559	1.0
259.05972	8.0
271.05963	8.0
273.07428	0.6
273.14499	2.9
283.06049	1.4
289.07123	1.4
291.15613	33.2
292.16055	1.2
297.11050	0.5
299.05670	0.7
301.07013	31.8
302.07440	1.8
306.18546	0.6
313.07019	23.3
314.07462	1.5
317.06488	10.0
318.06888	0.9
325.07153	1.6
343.08090	28.0
344.08484	1.6
393.09882	1.7
411.10730	11.7
412.11304	0.7
435.10934	2.7
435.28452	0.5
435.33044	2.2
453.11646	1.5
453.21176	25.0
453.34204	8.8
454.21423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04309	0.6
53.28213	0.5
70.06554	0.7
80.06641	0.6
85.02882	0.7
98.97601	0.6
110.07150	2.1
131.55220	0.6
177.05518	0.9
211.68466	0.8
263.73428	0.6
301.06677	1.2
302.07251	1.3
378.09164	1.2
393.11359	1.3
435.12463	2.6
453.13626	100.0
454.13867	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	453.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01859	1.6
57.03416	1.5
61.02902	2.0
65.03939	1.1
67.05495	1.6
67.45946	0.5
68.99779	1.3
69.03419	6.6
73.02908	1.0
81.03400	2.9
83.04971	1.3
85.02890	19.9
85.03407	1.0
87.04465	0.9
91.03944	0.7
91.05460	0.7
93.03378	1.0
95.04947	2.3
97.02869	5.4
99.04406	1.3
107.04945	1.2
109.02836	2.3
110.60373	0.5
111.00790	0.9
111.04453	3.0
115.05503	0.6
119.04918	4.0
123.04413	52.7
124.04705	0.8
124.46024	0.5
127.03879	3.7
135.04378	2.1
137.05971	1.1
139.03876	100.0
140.04219	1.5
143.04845	0.8
145.04904	1.6
147.03282	1.1
147.04390	14.8
151.03885	2.6
153.05455	2.1
161.05971	2.1
163.03851	3.0
165.05453	14.2
179.07011	1.1
181.04776	0.6
189.05421	1.5
207.06532	2.4
273.07529	3.9
291.08554	10.1
298.19531	0.6
453.13876	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	453.1387
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	1.0
55.01860	2.0
58.00201	0.9
61.02927	1.3
68.70093	0.9
68.99771	1.5
69.03416	4.0
69.16570	0.9
70.96015	1.2
81.03395	1.3
83.04957	1.0
84.78950	0.8
85.02894	8.4
91.05484	2.3
95.04966	2.1
97.02880	4.1
101.71026	0.9
103.52219	0.9
109.02885	1.0
111.04440	3.2
119.04919	2.7
123.04416	56.5
125.32657	1.1
127.03904	2.3
135.04402	1.6
139.03882	100.0
140.04216	2.1
143.04904	2.9
145.04927	1.3
147.04381	16.5
148.51425	1.1
151.03902	2.9
153.05528	1.1
161.05948	3.9
163.03874	5.0
165.05453	13.8
169.04889	1.4
175.03935	1.0
177.05492	1.4
179.07037	1.7
181.05034	1.1
189.05493	1.8
205.04892	1.4
207.06544	3.6
219.33638	1.1
237.93849	0.9
273.07578	2.3
282.41779	1.0
291.08560	22.4
453.13629	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	453.1385
Annotation	Catechin 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01858	2.4
56.96552	1.3
57.03419	1.1
61.02897	1.1
65.03941	2.8
67.05486	2.0
68.99798	1.4
69.03420	4.0
69.53464	3.3
73.02903	1.5
77.03939	1.1
79.05477	1.9
81.03429	1.4
83.04953	1.0
85.02894	11.5
89.03901	1.4
91.05473	3.0
93.03387	2.6
95.04954	3.3
97.02882	3.5
98.23456	2.0
100.11214	1.6
105.03362	1.6
107.04931	2.8
109.02829	1.1
111.04427	9.6
111.15410	0.9
116.98616	1.7
117.03316	1.2
117.10463	0.9
119.04940	6.2
123.04413	92.3
124.04710	1.6
127.03894	3.0
128.70158	0.9
135.04401	16.5
137.02361	2.5
137.05907	1.3
139.03880	100.0
140.04201	2.8
142.08643	2.1
143.04927	1.3
145.04904	1.2
147.04373	21.1
149.06030	1.5
151.03874	8.3
159.04300	1.4
161.05930	3.6
163.03879	25.5
165.05476	14.3
165.06825	2.0
169.04939	1.3
174.41283	0.9
175.03922	1.6
175.07648	1.4
177.05490	1.3
179.03351	1.3
181.04948	1.4
181.06425	1.2
185.06030	1.4
189.05516	2.6
191.03430	1.0
193.04980	1.3
199.07521	1.6
201.05507	1.2
203.06978	3.7
205.04953	1.9
207.06410	2.1
213.05356	1.8
215.06952	1.1
221.04375	2.2
227.07048	1.8
227.17453	1.5
229.04951	2.3
255.06509	1.8
257.04254	1.5
266.03320	1.2
271.05920	5.7
273.07516	23.0
283.05981	5.2
284.06314	1.2
285.07364	1.4
288.64719	1.0
289.07162	1.3
291.08524	19.1
291.13443	1.2
295.05872	1.4
301.07007	16.0
303.08514	3.0
313.06891	1.5
315.08551	1.7
343.07999	1.2
389.11655	1.0
435.10760	3.1
453.13721	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	453.1386
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.27067	0.8
55.37096	0.9
57.03429	1.2
61.02908	1.5
65.03925	1.7
69.03424	3.0
70.70622	1.5
81.03414	2.0
85.02901	8.1
91.05493	1.3
95.04967	2.9
97.02882	4.7
106.07331	0.9
111.04443	3.0
119.04947	4.9
123.04414	53.8
127.03935	1.9
135.04332	0.9
139.03879	100.0
140.04222	1.6
143.04900	1.2
147.04390	18.2
151.03920	3.7
161.05960	3.9
163.03918	3.7
165.05460	14.6
169.04968	1.2
179.06972	2.1
181.04982	1.5
205.04921	1.6
207.06538	3.7
247.06062	1.2
273.07581	2.9
291.08582	23.5
292.09018	1.2
372.43173	0.9
453.13535	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05519	1.1
57.07067	1.2
67.05501	1.7
69.07066	13.5
79.05509	1.6
81.07047	4.0
82.94550	1.4
83.08604	1.4
91.05466	2.2
93.07047	1.2
95.08602	1.7
95.09570	0.9
105.07050	2.0
107.08607	2.1
109.10157	1.4
111.04435	3.2
119.08553	1.6
125.02341	5.4
125.05978	1.4
133.02855	12.7
134.03604	3.0
137.05980	3.6
139.03917	8.1
140.04654	11.9
146.03629	1.1
153.05478	9.5
161.05960	2.4
162.03117	23.4
165.05489	2.9
165.06865	2.1
167.03423	7.6
175.14896	1.0
177.05469	26.0
177.06958	2.3
178.02609	4.5
181.06488	1.3
189.05444	4.4
190.02689	1.4
190.06282	1.3
193.04955	35.6
193.06502	3.0
193.08510	1.7
194.05292	2.0
199.03877	2.0
203.06905	1.5
205.04955	100.0
206.05334	3.8
207.10194	3.2
208.10980	1.1
209.05943	2.1
210.06761	2.0
213.05557	1.5
217.04977	4.4
217.08627	3.5
221.06000	14.5
221.11772	4.1
226.06329	2.2
231.06538	1.7
233.07988	2.4
233.11557	1.7
236.04568	1.6
237.05754	5.2
238.06100	2.4
245.04308	2.0
245.08090	4.6
249.05505	6.7
250.06306	2.3
253.08556	1.7
254.05765	3.9
255.06505	1.6
259.06012	1.5
261.11172	12.3
263.07040	1.5
265.04996	6.9
265.08829	1.0
266.05746	3.2
269.08020	2.2
273.11218	23.3
277.07098	1.1
279.06573	4.0
280.06940	1.3
281.08096	5.7
282.05194	4.2
293.04456	4.9
294.05255	1.4
296.06744	1.4
297.07535	18.0
298.08026	1.2
307.05927	3.2
308.06711	1.7
309.07532	4.2
310.04550	3.4
311.05579	1.1
311.08990	2.3
313.06946	1.6
314.11395	1.7
319.21188	3.3
321.07642	1.1
322.04611	1.6
324.06204	3.0
325.07031	36.5
326.07593	4.0
337.07068	2.9
339.08588	7.9
341.10266	1.5
342.07272	2.3
351.08490	1.4
357.09671	53.3
358.09995	3.2
365.13788	9.1
367.07962	2.9
377.09885	2.4
381.13275	2.2
385.09146	11.4
393.13290	28.4
394.13785	4.1
407.14886	5.8
425.15912	25.7
426.16199	1.8
435.14374	1.6
436.07944	1.2
453.15512	13.8
453.33908	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	453.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01859	0.6
53.03917	0.8
55.01875	1.0
55.05503	9.6
57.03410	0.9
67.05472	3.2
69.03431	3.4
69.07061	3.9
70.06570	1.6
71.04961	1.4
71.44237	0.7
72.08109	2.5
73.02892	0.8
79.05441	2.1
81.03381	2.8
81.07047	9.0
82.06549	2.4
83.04954	1.4
83.08616	7.3
84.04456	1.0
84.08124	1.1
85.02899	6.7
85.06482	1.4
86.09668	1.3
91.05445	2.4
93.07040	3.9
93.75484	0.7
95.04941	1.8
95.08580	5.3
97.02843	2.9
97.06501	1.4
98.09672	0.9
99.04452	0.7
99.08002	0.7
99.28535	0.9
100.07571	2.6
100.11245	24.9
101.11518	0.8
104.10704	1.7
105.06984	3.1
107.08544	2.8
109.02847	2.5
109.06497	1.2
109.10152	5.0
111.04465	4.1
111.07999	0.9
112.07524	0.7
117.13847	0.8
119.08533	3.1
121.10089	2.8
121.41379	0.8
123.11649	1.5
126.09106	0.9
127.03882	2.6
128.07054	3.1
129.06880	0.7
130.05042	0.9
131.08524	2.7
133.10094	2.6
135.07999	0.8
135.11665	1.3
137.09581	3.3
139.08630	1.4
140.06924	1.2
143.08516	1.1
145.04872	1.1
145.10054	1.9
147.07953	1.1
147.11638	2.0
149.09520	1.0
149.13193	2.6
157.10121	0.9
159.11681	1.1
161.13246	0.9
163.14729	1.3
165.09009	1.3
179.03339	0.9
182.15375	9.7
184.07333	1.6
185.04214	0.8
187.14841	0.7
192.14049	0.7
195.14882	2.2
203.05231	0.9
203.10408	4.6
209.16492	6.4
210.14864	11.4
211.14992	1.1
219.09853	1.4
223.14299	0.7
226.19182	2.1
227.17574	1.4
228.15971	1.6
255.17348	1.1
265.11789	1.4
273.14621	2.6
276.72751	1.9
291.15616	100.0
291.26813	2.6
292.15973	4.4
304.04257	0.8
326.28085	1.3
336.22610	1.1
340.25937	1.0
343.30780	1.8
389.81039	1.6
390.31015	1.7
429.71609	0.8
435.33417	4.3
436.31830	1.4
444.33826	1.3
453.20859	65.2
453.34433	14.0
453.83994	0.7
454.20993	4.9
454.33408	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	453.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.8
66.93468	0.5
67.05453	0.7
81.07029	0.7
82.06548	0.8
83.08602	2.2
83.10204	0.4
89.18274	0.5
91.05463	0.6
95.08553	0.7
98.09647	0.8
100.07594	1.2
100.11241	12.4
101.11519	0.5
104.85349	0.5
106.73267	0.5
109.02810	0.7
111.04382	1.9
119.08531	0.6
123.04180	14.6
128.07028	0.9
137.02298	0.8
139.08578	0.8
147.04378	1.0
161.05991	0.5
163.03830	1.2
165.05527	0.6
167.07019	0.5
167.56706	0.6
170.11705	0.6
182.15404	4.6
185.04233	1.0
191.03328	1.8
191.10393	2.7
203.05174	0.6
209.16467	3.4
210.14871	4.1
226.19095	0.9
273.14572	6.8
274.14963	0.5
276.06793	0.5
282.17343	0.5
291.15616	97.7
292.09589	1.3
292.15976	4.9
301.07074	0.5
336.22687	0.6
343.07840	0.7
353.15631	2.0
376.78119	0.5
435.33145	3.9
453.20914	100.0
453.34103	13.9
454.21246	6.3
454.34445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.1
55.85204	2.3
67.05482	2.3
67.32399	2.2
69.03421	2.4
69.07049	2.5
77.00899	3.2
77.12387	2.4
80.94843	100.0
81.07025	7.4
82.94543	26.0
83.04990	10.1
89.14995	2.2
91.05482	2.8
91.51654	1.9
93.07038	5.1
95.02002	2.3
95.08598	4.6
105.07020	2.2
107.08610	3.1
109.10199	3.3
119.08576	2.8
121.10139	3.5
123.11646	1.9
123.39797	1.9
127.21577	2.3
132.03050	2.2
133.02754	10.2
133.14549	2.1
147.04434	3.5
161.13203	2.3
170.54393	2.0
175.04486	8.0
175.43990	2.4
178.02676	5.2
193.04933	42.0
205.05005	3.0
301.20093	20.9
319.21170	35.9
337.22116	9.5
342.22659	2.4
370.41046	2.2
393.25089	28.3
395.27646	87.4
396.28149	5.1
415.40845	2.0
453.16382	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	453.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35509	1.2
53.87345	1.2
55.05507	2.0
67.05508	2.5
71.04402	1.5
77.00912	1.9
79.89970	1.3
80.94849	100.0
81.07043	2.9
82.94557	8.2
83.05020	1.2
88.38873	1.5
91.05482	2.0
93.07033	1.9
95.08636	1.9
98.32503	1.4
105.06999	2.9
107.08614	2.5
109.10172	3.6
119.08599	1.5
120.18908	1.2
121.10146	1.9
123.11743	1.3
127.11246	1.6
137.09473	1.2
147.11615	2.0
159.11671	1.5
171.11670	1.5
175.04495	2.1
193.04970	2.3
199.03900	1.7
259.05899	1.4
301.20029	7.6
307.12833	1.3
319.21234	11.0
337.21982	3.2
361.21814	3.6
393.25235	8.1
395.27686	85.1
396.27997	4.2
453.35355	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22129	2.5
52.92788	2.7
53.03930	5.5
55.01857	6.2
55.05502	42.0
57.03434	5.6
57.07062	8.5
58.03815	2.7
59.37179	2.6
59.63115	2.6
61.02921	7.9
67.05498	30.0
69.03421	31.4
69.07061	31.6
69.15076	2.5
70.06570	5.7
71.04983	8.1
73.02911	7.1
79.05473	19.0
81.03425	16.3
81.07047	100.0
83.04951	6.4
83.08601	21.7
84.04456	5.0
85.02895	73.9
85.06538	14.9
88.37203	2.7
90.37917	2.8
91.05458	18.5
93.07032	44.3
95.04956	10.9
95.08595	62.5
97.02885	20.7
97.06531	5.9
97.10140	13.0
99.04449	7.3
99.08090	7.8
100.07608	4.5
100.11250	47.6
105.07029	34.4
107.08587	45.7
109.02863	12.4
109.06519	6.6
109.10144	44.6
111.04425	10.1
111.08057	4.4
111.11703	5.8
115.03931	3.4
116.67703	2.8
117.07012	4.6
119.08554	33.6
121.06512	3.1
121.10138	33.1
123.08048	5.5
123.11687	18.0
125.09611	10.1
126.09157	3.4
127.03911	15.0
127.11090	3.1
128.07060	4.8
131.08540	13.1
133.10115	23.3
135.08084	3.5
135.11681	19.2
137.09555	8.4
137.13202	5.1
143.08543	5.5
145.04930	11.2
145.10107	22.2
147.08026	3.4
147.11662	14.2
149.09491	4.2
149.13216	33.6
151.14845	3.9
155.08479	4.2
157.10063	10.0
159.07986	4.2
159.11658	20.2
161.09596	3.9
161.13228	11.6
163.11124	3.8
163.14809	23.4
165.09163	6.7
169.10080	5.0
171.11758	3.6
173.09656	3.0
173.13237	11.8
175.11131	4.2
175.14806	7.2
177.16423	9.7
182.15358	13.2
185.13322	4.2
187.14740	8.6
189.16383	12.1
191.17924	4.9
197.02855	2.9
197.13297	3.1
199.14810	6.2
201.16341	11.2
201.55061	3.0
203.17897	15.8
209.16515	10.4
210.14845	15.4
213.16331	4.1
215.17973	8.1
217.19499	3.7
221.19017	3.2
224.01852	2.9
227.17717	3.6
229.19463	3.6
233.15384	2.9
235.20609	3.1
247.17081	4.5
273.25797	5.0
279.26605	3.6
289.25034	3.4
291.19571	4.9
291.26810	60.9
300.37686	2.6
343.31033	3.3
371.09116	2.8
399.28568	3.3
407.32925	6.0
411.54413	2.9
417.29922	3.8
435.32776	13.4
450.70590	3.0
453.20221	5.5
453.25516	8.5
453.33762	48.1
454.24023	26.9
454.33978	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	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.94222	2.7
53.04765	2.4
55.05505	19.5
67.05494	23.0
67.55027	3.0
69.07051	13.6
69.32593	9.1
69.33003	6.0
72.58458	2.8
75.78772	2.5
79.05492	12.5
81.07041	30.7
83.04974	4.9
83.08594	14.9
91.05467	15.9
93.07030	25.6
95.04936	3.2
95.08593	52.7
97.06513	3.4
98.23425	6.2
100.11237	13.8
105.07010	39.0
107.08576	42.7
108.00182	2.6
109.06540	4.0
109.10146	34.4
111.08131	5.3
114.79388	2.7
117.07021	8.1
119.08567	73.8
120.08927	2.5
121.10120	32.5
122.12706	3.1
123.11716	11.0
131.08543	25.3
133.10107	38.2
134.94661	2.4
135.11699	15.1
135.17993	3.0
136.86975	2.7
137.13303	3.3
141.06956	2.6
143.08586	8.0
145.10110	39.0
147.11633	29.8
149.13219	12.8
155.08472	3.1
157.10136	11.9
158.66811	2.5
159.11682	32.6
161.13271	16.5
163.07570	6.4
163.14796	6.0
164.97534	2.7
171.11691	9.3
173.13278	24.4
175.14853	19.8
177.16409	8.7
181.10107	3.5
182.15475	4.5
183.11810	4.9
185.13234	7.7
187.11116	3.2
187.14795	19.6
189.16382	27.9
199.14821	6.6
201.16374	38.5
203.17928	33.6
205.15860	3.8
210.14967	4.2
211.14917	5.0
213.16388	7.8
215.17903	29.4
217.15996	4.4
217.19478	6.9
219.13971	2.5
223.14807	4.7
225.16408	4.4
229.15912	3.7
229.19518	6.7
233.15381	7.2
239.17996	4.7
241.19553	5.2
243.21129	3.5
293.23221	2.7
343.22479	3.0
349.29062	2.7
389.32037	12.0
395.29324	3.6
407.32874	17.3
435.33023	17.7
453.33746	100.0
454.27802	3.9
454.33932	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	453.3354
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.45323	3.8
55.05507	20.5
57.07064	4.3
57.92299	3.1
67.05494	19.1
69.03437	3.6
69.07052	13.5
71.08611	3.8
79.05478	12.1
81.07044	27.8
83.08606	14.9
91.05447	19.8
93.07034	25.7
95.08586	53.2
97.06512	4.2
97.10148	4.3
100.11259	21.9
103.33252	3.1
105.07024	33.4
107.08582	44.0
109.10143	27.8
111.04424	3.7
111.08063	6.1
117.06982	4.1
119.08565	56.0
121.10117	26.9
123.11715	9.5
128.90903	3.6
131.08540	19.2
133.10094	34.8
135.11678	14.4
137.13266	3.5
143.08574	9.7
145.10107	31.2
147.11687	28.7
149.02348	15.4
149.13254	18.6
157.10172	9.4
159.11699	30.8
159.74704	3.6
161.13269	16.9
163.07486	3.6
163.14798	7.1
169.10168	6.9
171.11636	12.1
173.13246	18.6
175.07497	4.5
175.14882	18.3
177.16310	6.9
181.67442	4.2
182.15324	8.0
185.13260	7.8
187.14786	20.1
189.16373	26.2
193.04904	13.6
199.14798	7.9
201.16318	31.9
203.17924	30.0
205.15842	4.2
209.16513	4.8
210.14890	11.7
213.16367	4.3
215.17931	37.8
227.17863	5.6
229.19510	5.8
233.15350	10.0
237.07578	12.8
241.19443	3.6
243.21104	6.4
244.22615	5.5
245.15289	3.9
290.61197	3.8
389.31827	9.2
407.33011	15.8
435.32617	22.3
453.19901	19.4
453.24802	6.0
453.26700	6.4
453.33759	100.0
454.28018	20.7
454.33511	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	454.1341
Annotation	CHEBI:69016
Peak:m/z	Relative Intensity
50.33448	0.6
54.78684	0.5
55.01860	3.1
61.02942	0.6
64.61911	0.5
69.03427	1.1
69.07059	0.8
69.25311	2.4
69.25719	0.9
70.01675	0.6
70.06588	10.7
71.06926	2.0
71.08615	0.6
73.02914	1.6
79.05485	1.6
81.03406	1.6
85.02894	2.4
91.05466	3.7
95.01318	3.1
95.04974	1.8
97.02898	0.8
97.06532	1.0
103.05473	7.3
105.03385	2.2
105.07037	1.3
105.60153	0.6
107.04961	1.2
109.02864	4.9
112.08733	3.0
113.02363	2.1
113.09061	0.9
113.37595	0.5
115.05450	2.4
117.06989	1.5
117.52428	0.5
118.06506	1.1
119.04933	4.4
120.08092	0.9
121.06509	2.3
122.06016	2.8
123.00755	0.8
123.04426	3.1
124.07580	1.0
127.03896	0.8
128.06242	1.1
129.06963	3.4
131.03391	1.1
131.04893	3.5
131.08493	1.1
132.04417	1.2
133.02843	1.5
133.06512	1.3
137.02373	1.1
141.06999	1.5
142.08632	2.5
143.04904	3.0
143.07050	1.4
145.06485	5.9
146.06026	1.4
147.04419	3.9
148.07526	4.7
149.02299	1.5
149.05969	1.2
150.05496	1.6
151.00279	1.4
151.03906	2.0
153.01828	0.8
153.07008	1.1
155.03571	0.6
155.04887	1.4
155.06023	0.8
157.06462	6.1
159.04494	1.0
159.08163	0.9
160.07558	1.1
161.05980	2.5
164.07126	0.6
165.01831	0.9
165.07011	1.2
166.08714	3.0
167.03394	5.1
167.04730	1.0
167.08485	0.8
169.06444	3.6
171.04399	8.2
172.04796	0.6
173.05951	3.7
175.03932	0.9
175.07541	0.8
181.01381	0.9
181.04907	1.8
181.06439	1.3
183.02969	1.1
183.04449	2.6
184.05165	1.4
184.09686	0.9
185.05948	5.9
185.10008	0.9
187.03868	1.2
187.07556	2.0
188.07062	2.6
189.05489	2.2
189.09195	1.5
191.06961	0.8
193.01408	0.7
195.02876	2.3
195.04457	2.1
196.04848	0.6
197.02292	0.6
197.05952	2.8
199.03876	4.1
199.07526	1.3
200.07004	0.8
201.05499	3.2
202.08630	1.2
203.07079	1.1
206.04457	0.9
211.04004	1.8
211.07552	0.7
213.05576	3.7
213.12314	0.7
215.07050	2.5
217.08609	2.1
221.06075	1.0
223.03961	1.9
223.07703	0.7
225.05460	2.6
227.03268	0.8
227.07014	1.8
228.06540	2.6
229.05052	3.2
231.06493	2.3
235.07544	0.8
237.05487	1.4
239.03508	0.9
241.04869	3.4
243.06523	1.6
251.07068	1.8
253.04994	2.5
255.06662	1.2
257.04587	1.9
260.09122	3.4
267.03201	0.8
267.06485	1.9
271.06046	2.0
274.10718	1.0
279.06543	1.2
281.04477	1.3
283.06128	1.1
285.07767	0.9
287.07520	4.0
295.06085	0.8
299.05591	1.1
304.14111	0.9
305.14413	1.2
313.06964	3.3
319.45038	0.6
323.05573	1.4
331.08002	1.4
341.06537	1.6
345.06000	1.1
349.08990	0.9
355.08234	0.7
359.07550	4.3
374.94534	0.6
377.08652	7.2
387.07092	1.7
390.11929	0.7
391.10233	2.6
401.08752	0.8
418.11124	0.9
419.09702	2.2
436.12308	14.0
454.13409	100.0
455.14191	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	454.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01856	2.4
55.05500	12.0
57.03425	3.9
57.07059	4.2
61.02913	2.5
62.28124	1.0
67.05495	3.8
69.03416	9.6
69.07058	24.0
71.04975	3.2
71.08613	1.4
73.02899	2.5
79.05476	2.4
81.03410	6.2
81.07040	8.5
82.06558	1.4
83.04960	3.5
83.08606	8.9
85.02894	22.8
85.06527	1.3
87.00811	9.9
91.05495	2.3
93.07027	6.8
95.04951	1.1
95.08584	8.1
97.02881	9.7
97.06530	11.0
99.04430	4.2
100.07596	1.7
100.11238	16.4
101.11614	2.0
105.01850	8.7
105.07038	1.1
107.08579	9.0
109.02865	7.7
109.10152	5.7
111.04446	2.3
111.08053	3.9
111.11702	3.7
117.01781	1.1
119.08570	1.9
127.03888	12.8
128.07059	2.2
129.01785	1.0
135.11668	30.7
145.03848	1.1
145.04945	3.9
153.12721	49.3
154.13031	2.4
154.37199	1.1
156.13817	4.4
159.02907	2.7
171.13777	100.0
172.14154	2.6
182.15363	5.9
183.15739	2.3
184.13385	1.7
189.14818	6.5
205.05081	2.3
206.05254	1.5
209.16492	2.8
210.14853	5.8
211.15186	2.8
228.15933	1.3
231.04967	2.1
256.09598	1.4
258.11148	1.0
275.16367	1.0
276.73013	1.0
291.15649	3.0
292.15915	7.8
293.17075	3.5
319.57010	1.1
361.20053	1.0
390.30960	1.3
410.29800	2.1
411.30328	2.9
436.33582	1.3
444.83932	2.0
453.34149	1.5
453.84369	3.3
454.21237	9.1
454.27814	2.2
454.34451	7.5
455.22665	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2927
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05502	2.5
57.03438	4.6
57.07073	23.4
62.06086	25.3
63.01754	0.6
67.05511	4.9
69.07065	4.0
69.25794	3.2
71.08268	1.0
71.08632	14.1
81.07059	6.5
82.90178	0.5
83.08621	5.1
85.10188	9.6
89.06023	1.1
93.07042	0.8
95.08588	9.0
97.10143	1.9
98.98460	5.7
99.07996	0.6
103.07624	0.7
109.10146	4.4
120.96624	0.9
123.11685	0.8
124.01600	1.7
129.19142	0.6
142.02612	1.4
155.01021	7.2
184.67589	0.6
191.85643	0.7
198.05287	2.3
216.06303	2.8
239.23695	1.7
244.35802	0.7
257.24835	1.1
282.27893	12.9
294.79739	0.7
313.27347	100.0
314.27664	7.2
393.24005	5.0
436.28140	2.1
454.29175	0.9
455.21677	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53436	0.9
55.05500	2.5
57.07069	36.7
69.07065	1.7
69.41339	0.8
69.89017	2.5
71.08620	26.1
72.52728	0.9
73.06541	5.6
74.50108	0.8
78.42688	0.9
83.08609	2.4
84.82581	0.8
85.09692	1.5
85.10176	21.0
87.04454	4.3
89.06020	100.0
90.06336	1.2
90.92177	1.0
97.10145	3.2
99.11722	3.8
107.07055	2.8
109.49037	0.9
109.97411	0.9
113.13262	1.5
117.09122	2.2
133.08588	44.4
134.08905	1.4
155.17911	3.7
177.11208	12.8
195.12250	2.4
199.20535	2.0
214.83311	0.9
221.13753	0.9
239.14850	1.8
242.71547	0.9
243.23170	7.5
283.17499	11.9
287.25708	2.4
318.26306	0.9
343.26236	0.9
373.94022	1.0
427.63492	1.0
437.34760	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82071	0.6
82.05595	0.6
82.96629	0.6
94.93019	1.3
112.89590	1.1
124.87737	0.7
141.51080	0.6
146.51347	0.6
152.16815	0.7
182.94527	1.2
208.97221	1.2
212.85196	2.7
224.58536	0.6
330.98996	0.7
348.89810	1.1
414.12891	0.7
455.11563	100.0
456.11908	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	455.131
Annotation	Nap-Met-OH
Peak:m/z	Relative Intensity
55.01863	1.3
57.03429	1.3
68.25871	0.8
69.03423	3.7
69.40504	2.5
71.04987	2.0
73.02902	6.3
74.57764	1.0
82.42562	0.8
85.02886	5.4
85.06559	1.1
97.02876	5.3
99.04491	1.0
109.02879	1.1
114.92697	0.8
115.03902	1.8
115.05445	0.9
127.03912	2.8
127.11167	4.7
129.06952	1.1
133.02861	1.3
133.04982	2.2
141.06929	1.0
145.04999	2.6
145.06459	1.9
145.12228	20.7
148.66023	0.9
151.55908	0.8
162.05501	1.1
163.03926	1.5
179.03491	1.4
217.66438	0.9
323.07813	1.5
359.07462	0.9
395.09586	1.5
434.67917	1.0
444.66553	1.0
455.13083	100.0
455.22983	10.0
456.12997	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1697
Annotation	nigrasin C
Peak:m/z	Relative Intensity
55.01868	3.0
55.05505	2.5
65.03931	1.1
66.04720	1.2
66.69789	0.8
68.99773	1.8
69.03416	1.2
69.07064	4.2
69.77818	2.7
74.95641	0.8
77.03918	1.2
78.04700	1.8
79.05496	3.2
80.94820	1.0
81.07059	1.6
82.78712	0.8
83.04970	5.6
89.03897	1.6
90.04687	2.2
91.05464	10.6
93.03416	1.3
93.07036	2.8
95.04958	3.9
102.04660	5.6
102.59044	0.8
103.05451	35.4
104.06223	3.0
105.03381	2.3
105.04490	1.3
105.07017	8.6
106.04156	2.2
107.04924	6.7
107.08604	1.1
115.05453	4.6
117.03394	3.0
117.07004	3.7
118.04140	21.3
119.04945	5.1
119.08601	1.7
120.05746	2.2
121.02858	2.6
121.06507	8.2
122.03583	0.9
123.04454	1.7
124.05247	1.3
128.06209	4.4
129.07030	1.4
130.04144	16.3
131.04912	53.8
131.08510	1.0
131.17130	0.9
132.05705	26.2
133.02850	3.2
133.06467	6.9
133.10149	1.5
134.03633	1.6
135.04393	4.4
135.08058	1.2
137.05960	2.2
140.04663	1.6
141.06937	1.0
143.04904	1.3
143.08525	3.5
144.05615	1.5
145.02846	1.5
145.06470	3.8
145.10129	1.5
146.03607	10.4
147.04405	15.6
147.07996	1.2
148.05153	10.0
149.02283	3.2
149.05971	10.6
151.03902	1.2
153.06990	1.3
158.03651	1.9
158.07285	1.3
159.04387	5.2
159.08070	1.8
160.05168	12.8
160.06215	1.0
161.05968	8.4
161.09537	1.0
162.03082	1.7
162.06723	1.8
163.03879	21.6
163.07541	5.1
165.05438	3.3
165.06850	1.0
166.06250	1.6
167.07008	26.8
169.06517	1.6
171.04501	1.4
171.08044	3.6
173.05949	7.5
175.03922	3.6
175.07527	2.2
176.04657	24.9
176.06175	1.8
177.01817	16.2
177.05447	25.6
178.06239	16.5
179.03430	0.9
179.06999	4.8
180.07751	6.6
181.08607	1.8
185.06105	1.5
187.03876	2.5
187.07408	1.8
189.05499	3.4
189.09039	4.5
190.06204	1.5
191.03371	40.0
191.06996	63.1
192.04059	2.5
192.07771	53.1
193.04907	2.8
193.08543	4.8
197.06032	1.7
199.07507	2.2
200.04683	1.8
201.05458	2.7
201.09093	1.6
202.06300	1.1
203.03349	17.2
203.07126	1.2
204.04189	1.1
204.08064	0.9
205.04964	2.6
208.07285	1.2
209.06297	0.9
209.08112	3.7
211.07483	1.1
213.09055	1.3
215.03447	1.7
215.07008	7.5
216.04141	2.6
217.04948	2.6
217.08517	7.3
219.10162	2.6
227.07057	2.0
229.04897	1.4
229.08592	2.5
230.05688	3.1
230.09424	1.9
231.06488	2.1
231.10297	1.7
245.08081	14.9
246.08728	1.0
247.09570	11.2
257.08063	3.2
260.90927	0.9
268.61481	0.9
271.09448	1.0
274.97476	1.1
279.06708	0.9
287.09061	2.3
289.10709	2.3
301.10736	1.1
349.07169	1.8
367.57162	0.9
369.09753	3.5
381.09613	7.0
387.10754	1.8
399.10745	12.1
400.11060	1.1
405.13281	2.9
407.11353	2.6
425.15723	5.2
437.15887	100.0
438.16113	5.4
455.16922	56.4
456.17010	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	455.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
67.05475	3.5
69.69137	1.9
79.05460	1.7
81.07044	5.5
91.05467	2.5
93.07034	4.3
95.08586	7.0
98.23396	1.7
105.07020	4.6
107.04968	1.2
107.08604	5.6
109.10165	4.0
111.08057	3.4
113.88934	1.0
119.08569	3.4
121.10126	4.0
121.17548	1.1
131.08586	1.4
133.10091	2.6
135.11714	2.2
145.10098	2.2
146.25131	1.1
147.11684	4.3
149.13229	1.8
151.07474	7.1
151.14572	1.2
159.11784	1.4
161.13283	1.4
164.27425	1.4
165.09116	1.5
173.13263	1.8
177.08928	1.4
177.16353	1.9
180.50113	1.2
187.14832	1.6
189.16356	3.6
201.16449	1.3
203.17963	2.7
314.77176	1.1
391.98413	1.3
395.18268	21.9
396.18420	1.7
409.34518	3.5
437.34296	1.3
455.20352	100.0
455.34641	3.5
456.20584	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	455.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.9
56.96546	2.4
69.07066	2.6
69.43180	4.6
69.43552	4.0
70.06567	3.4
83.08640	3.1
85.02899	3.2
86.09715	3.0
89.75805	2.4
95.08545	2.9
98.22674	2.4
100.11233	7.2
106.50544	2.1
107.08572	4.5
109.10077	3.1
114.09120	6.0
119.08557	3.5
121.10107	4.0
126.50591	2.4
137.05997	2.3
169.04765	5.3
196.39388	2.5
244.74709	2.3
253.82539	2.4
309.03757	16.7
345.04404	5.8
387.28394	3.0
416.46558	2.7
455.09045	8.8
455.20789	100.0
455.35056	9.7
456.21402	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	455.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.5
60.24215	1.4
69.03401	1.6
70.06585	2.0
73.43101	1.3
80.43643	1.2
81.07043	2.3
85.02880	1.6
86.09688	2.7
93.07033	1.5
95.08543	1.9
98.04459	1.5
100.11203	2.0
105.07021	2.0
123.11681	1.6
167.56828	1.5
207.06494	3.3
275.16214	1.9
293.17053	1.9
309.03549	5.0
455.20490	100.0
455.34439	4.4
456.20801	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	455.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97694	0.3
55.05484	0.4
67.05466	0.4
69.03372	0.3
69.07010	0.3
73.02837	0.3
81.07005	0.7
83.08577	0.5
85.02878	0.3
93.07014	0.5
95.08549	1.0
100.11198	1.0
103.00880	0.3
105.06993	0.6
107.04874	0.4
109.10101	0.6
111.04416	0.4
119.08537	0.5
121.10139	0.4
133.10094	0.5
134.59309	0.3
137.13174	0.4
147.04372	0.4
152.51219	0.3
159.11687	0.4
168.05522	0.3
182.15329	0.4
185.04158	0.8
191.17880	0.4
203.05231	0.5
210.14833	0.4
229.00258	0.4
275.16171	2.0
277.73010	0.4
293.17178	100.0
294.17514	4.0
454.34491	0.4
455.22464	74.4
456.22748	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
58.66792	0.3
59.04985	1.2
59.23192	0.3
64.83384	0.2
67.05488	0.8
67.62632	0.3
69.03412	0.8
69.07042	1.0
71.04990	0.5
74.29070	0.3
79.05487	1.0
81.03418	0.7
81.07040	1.8
83.08616	0.7
85.02894	1.5
85.06527	0.9
91.05461	0.6
93.07025	1.4
95.08582	2.0
97.02898	0.4
97.06508	3.2
97.57924	0.3
100.11238	0.5
105.07024	1.2
107.04928	0.5
107.08557	1.7
109.10130	1.3
115.11234	0.5
116.18114	0.3
117.06950	0.4
119.08554	1.4
121.06465	0.6
121.10123	1.4
125.09470	0.3
126.93638	0.3
131.08553	0.5
132.08939	0.3
133.10126	1.0
135.08015	0.6
135.11757	0.6
137.09619	0.8
139.11165	0.7
145.10078	0.9
147.11620	0.8
149.09627	0.5
149.13197	0.4
151.11215	0.4
157.10141	0.6
159.11658	0.7
161.09541	0.6
161.13264	0.6
163.11162	0.4
165.09071	0.3
171.11638	0.4
173.09669	0.4
173.13226	0.6
175.14830	0.5
185.13304	0.4
189.16342	0.3
191.14268	0.3
191.16508	0.5
197.13235	0.4
199.14813	0.6
201.03583	0.7
203.05229	0.4
203.17961	0.3
228.87204	0.3
259.09317	0.4
275.16071	0.5
275.20032	1.4
293.17188	2.7
293.21011	0.9
335.18069	0.3
359.65121	0.4
455.22433	100.0
456.22690	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	455.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35809	0.4
55.54468	0.4
61.13618	0.3
64.52811	0.4
67.19589	0.3
69.03428	0.6
69.07085	0.4
69.08048	2.2
69.08454	0.7
70.06587	0.5
85.02895	0.6
86.09682	0.6
90.92326	0.3
96.77613	0.4
97.02889	0.4
98.22660	0.6
101.61247	0.4
107.08557	0.4
110.07165	0.4
115.03967	0.5
121.10153	0.4
127.03929	0.6
144.08067	0.8
145.02983	0.4
160.07608	0.4
163.03920	0.5
185.04201	0.6
201.03778	0.5
203.05284	0.7
204.10237	0.4
228.05936	0.4
228.13359	0.5
275.16428	0.7
277.18134	0.4
293.13632	1.2
355.17252	0.5
425.21478	0.9
437.21387	1.5
455.22528	100.0
456.22900	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	455.24
Annotation	Trp Ile His
Peak:m/z	Relative Intensity
53.48994	0.4
56.06163	0.4
70.20588	1.0
76.09480	0.4
78.79297	0.4
88.44131	0.4
88.92427	0.4
174.49728	0.6
187.03667	0.9
229.83435	0.5
274.60709	0.4
291.19254	13.7
292.19681	0.5
326.24567	0.5
373.41602	0.5
411.27020	1.0
455.23969	100.0
456.24371	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	455.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54531	0.8
93.29852	1.0
109.13691	0.9
119.08588	0.9
161.56882	0.9
191.96500	1.1
291.19318	6.3
337.23520	1.5
351.25229	2.5
369.26038	11.4
393.26114	2.4
411.27090	72.8
412.27682	3.2
455.26044	100.0
456.26028	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	455.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52923	1.0
56.18675	1.1
63.32415	0.9
69.68311	2.8
71.64057	1.0
75.61415	1.0
81.07032	1.3
92.17724	1.0
105.07030	1.1
116.59547	0.9
119.08614	1.2
174.00652	1.0
291.19391	1.2
339.34445	1.0
351.25140	3.7
369.26013	16.2
411.21426	1.7
411.22571	1.2
411.27094	80.9
412.27667	5.6
455.26099	100.0
456.26495	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	455.3515
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.82505	3.2
55.01805	3.0
55.05503	16.0
57.07073	5.1
67.05496	18.0
69.07056	20.1
70.72285	4.3
75.57124	3.1
77.01430	3.4
79.05469	19.6
81.07043	66.2
83.08604	10.6
91.05469	21.2
93.06446	4.3
93.07030	56.5
95.04958	5.9
95.08589	98.1
97.10134	3.9
98.51286	3.3
105.07014	76.0
107.07912	6.0
107.08575	69.1
109.06499	10.5
109.10137	55.6
111.08066	81.1
117.06995	3.7
119.08559	70.9
121.10132	62.8
123.08163	3.6
123.11691	18.0
124.47488	3.2
125.09624	4.1
131.08537	23.5
133.10110	64.0
135.11670	34.6
137.09656	3.6
139.11197	6.5
143.08514	8.3
145.10109	39.2
147.11652	84.3
149.09540	4.5
149.13229	68.0
149.58041	4.1
153.09111	4.3
157.10095	10.2
159.11658	33.6
160.12134	4.5
161.09596	4.3
161.13239	55.1
163.11232	5.9
163.14790	39.3
167.10732	3.7
171.11688	7.6
173.13255	23.5
175.14778	38.6
176.62807	3.3
177.16348	52.9
185.13167	3.7
187.14815	28.8
189.16356	99.0
190.16626	5.7
191.17899	20.9
199.14763	4.7
201.16328	51.8
202.16783	4.1
203.14308	7.7
203.17935	93.8
205.15807	13.2
205.19514	17.1
207.17410	34.4
213.16460	9.2
215.17938	23.0
217.19466	7.4
219.17325	15.5
221.15393	4.6
221.18961	9.5
227.17958	7.5
229.19490	8.2
231.17383	10.0
233.19002	5.8
235.16876	7.8
243.21132	6.8
245.22711	4.6
247.16980	6.6
249.18468	20.0
255.20905	5.3
302.67316	3.9
351.30270	7.5
391.33472	14.4
397.30756	19.9
409.34610	100.0
410.34781	7.2
425.33701	6.2
427.35553	6.5
437.34036	41.7
455.35211	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3514
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
55.05498	16.7
64.79285	4.0
67.05493	22.3
69.07059	27.7
79.05468	19.7
81.07040	65.6
83.08588	6.5
91.05463	24.6
93.07021	62.1
95.04955	6.5
95.08586	96.8
97.10152	7.1
105.07011	77.3
107.08570	75.0
109.06484	9.4
109.10126	54.9
111.08064	67.7
117.07011	9.1
119.08554	76.8
121.10121	57.1
123.11671	20.1
131.08530	18.0
133.10086	57.5
135.11650	30.6
137.09549	5.7
137.13220	4.9
139.11282	5.5
143.08517	9.7
145.10091	40.0
147.11650	79.2
147.12715	7.5
149.13226	66.8
153.09186	4.6
157.10027	5.6
159.11656	33.8
161.13210	51.7
163.14821	29.5
171.11572	9.0
173.13214	26.7
175.14810	41.2
177.16360	53.2
185.13252	5.1
187.14799	25.7
189.16330	100.0
191.17934	20.5
199.14766	5.4
201.16348	36.2
203.17917	99.6
204.18144	4.5
205.15880	13.6
205.19499	12.7
207.17412	37.0
213.16353	9.0
215.17976	17.8
217.15942	5.2
219.17413	12.5
221.18996	13.0
227.17920	6.5
231.17282	7.4
233.18971	7.5
235.16907	14.3
235.76328	4.1
241.19405	4.3
243.20807	4.2
245.22577	4.8
247.16901	5.4
249.18492	14.8
255.20947	6.6
261.21838	4.0
351.30325	7.5
391.33569	13.1
397.30856	12.7
409.34561	92.2
410.34860	9.3
421.25510	26.6
425.34235	9.0
437.25027	24.8
437.33963	33.5
438.25510	4.0
440.19818	4.0
455.29233	6.5
455.35114	58.0
481.99902	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	455.3511
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
54.68316	2.0
55.02388	1.8
55.05267	3.2
55.05499	16.6
57.07067	5.1
67.05490	20.5
69.07061	24.3
69.64803	7.7
71.11720	1.8
77.03942	2.5
79.05487	16.2
81.07046	55.6
83.08606	9.7
91.05467	19.8
93.07033	50.7
95.04960	4.8
95.08595	100.0
97.06546	2.5
97.10164	6.9
105.07016	71.4
107.08575	74.3
109.06512	7.7
109.10139	50.4
111.08067	66.8
111.08826	4.1
111.11660	2.7
117.06989	5.5
119.08566	78.1
119.09416	4.3
120.24580	2.1
121.10129	57.9
123.08031	2.7
123.11687	19.3
125.09605	2.8
131.08542	22.0
133.10114	56.0
135.08083	2.1
135.11681	31.3
137.09613	4.7
137.13258	4.2
139.11172	7.7
143.08536	4.2
144.09312	3.7
145.10095	34.8
146.10736	1.9
147.11662	73.3
148.11992	4.2
149.09624	4.3
149.13234	59.1
151.11125	3.4
153.09105	5.7
154.76343	1.8
157.10120	7.7
158.70464	2.1
159.11671	32.6
161.09663	3.6
161.13234	50.1
162.13646	2.7
163.11163	5.6
163.14796	36.0
165.09216	2.3
165.12749	3.5
171.11665	5.7
173.13239	23.0
175.14807	34.3
177.16367	46.4
185.13260	6.4
187.14799	25.4
189.12761	3.6
189.16357	94.5
190.16695	4.1
191.17908	18.3
199.14793	7.0
201.16373	41.2
203.14134	2.6
203.17928	85.9
204.18367	4.0
205.15883	16.9
205.19496	16.1
207.17409	31.4
213.16391	8.8
215.17914	21.5
217.15889	7.5
217.19504	5.1
219.17438	16.6
221.15369	4.1
221.18993	8.8
226.30220	2.6
227.17917	2.8
229.19502	5.4
231.17416	7.4
231.21098	2.0
233.19034	6.3
235.16953	10.9
241.19380	4.0
243.21062	6.1
245.22581	4.4
247.16899	6.0
249.18517	15.5
255.21120	4.1
261.18558	2.8
261.21991	3.3
289.21854	2.5
351.30408	6.8
372.09665	2.2
391.33420	12.9
397.30890	10.5
409.34579	91.1
410.35071	6.9
425.34146	9.7
427.35776	3.8
437.34045	29.6
438.34567	3.0
455.13782	2.3
455.28912	1.8
455.35132	46.4
456.35373	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	455.3514
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.03915	2.0
55.05500	13.9
57.07049	3.1
62.15238	1.9
62.24834	2.0
65.03927	1.8
67.05488	23.4
69.07052	18.1
76.36812	1.9
77.03911	2.7
79.05471	22.5
80.36670	2.0
81.07038	61.4
81.44822	1.8
83.04994	1.8
83.08611	11.9
86.25188	1.9
91.05453	23.4
91.66820	2.0
93.07022	56.0
95.04939	5.9
95.08588	100.0
96.08894	2.9
97.10143	6.1
105.07012	82.8
107.08572	63.0
109.06496	8.2
109.10142	44.3
111.08066	58.1
111.11697	2.8
117.06957	4.3
119.08557	74.1
121.10116	60.3
123.08060	3.4
123.11668	14.6
125.09599	2.5
129.06973	4.1
131.08530	20.1
133.10098	56.5
135.11664	30.4
137.13242	3.3
139.11166	6.2
143.08545	4.3
145.10091	37.6
146.35187	1.8
147.07956	2.8
147.11661	70.6
148.11992	3.6
149.09650	2.8
149.12079	4.0
149.13229	55.3
151.11157	3.4
153.09079	6.1
157.10104	6.9
159.11673	32.8
161.09662	3.8
161.13228	53.7
163.11157	6.0
163.14792	30.5
165.16383	2.4
167.10733	2.7
171.11685	6.5
173.13210	22.4
175.14781	29.1
177.12973	3.0
177.16350	44.7
179.14333	2.1
187.06393	2.1
187.14784	27.9
189.12703	2.7
189.16344	93.9
190.16713	4.2
191.17897	13.1
194.54568	2.2
199.14833	6.8
201.16324	30.8
203.14177	3.8
203.17912	84.0
204.18268	5.0
205.15875	15.5
205.19485	13.5
207.17418	24.4
211.19867	2.6
213.16353	7.1
215.17914	20.1
217.15791	4.5
217.19435	5.8
217.85706	1.9
219.17435	11.0
221.19006	8.0
227.17967	4.3
229.19466	5.0
231.17430	9.6
233.18948	8.6
235.16895	10.7
241.19389	2.8
243.21095	4.9
245.22684	6.5
247.16861	5.9
249.18433	13.1
255.20970	3.8
261.18387	2.6
302.21143	2.0
351.30487	4.9
381.35440	2.4
391.33578	12.8
395.81818	1.9
397.31003	9.8
399.32416	3.0
409.29068	3.8
409.34570	80.2
410.34885	7.0
425.33841	4.5
427.35593	5.6
437.34052	30.1
438.34390	3.1
455.13223	2.2
455.29214	3.0
455.35205	37.1
456.35632	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	455.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42941	2.1
53.03925	2.9
55.05495	29.3
57.07059	7.7
67.05494	24.4
69.07057	25.5
71.23910	2.7
72.71334	2.5
79.05468	17.0
81.07043	52.4
82.07392	2.8
82.94958	2.3
83.04965	3.3
83.08607	33.5
84.04481	3.8
91.05452	20.3
93.07025	50.4
95.04955	5.7
95.08588	72.5
97.06486	2.5
97.10125	6.3
101.75567	2.8
105.07008	37.2
107.08571	52.2
108.16855	2.4
109.06505	4.6
109.10126	44.4
110.60830	2.5
111.08063	2.6
115.03932	2.6
117.07015	7.5
119.08557	97.9
119.09416	4.9
120.08972	2.5
121.10125	48.2
123.08035	4.5
123.11679	21.0
125.09644	3.7
130.05093	2.7
130.07703	3.4
131.08536	19.5
133.06546	2.7
133.10107	48.4
135.08041	2.5
135.11673	31.8
137.12386	2.3
137.13219	14.8
143.08531	4.9
145.10086	45.3
147.11671	30.5
149.09634	2.4
149.13239	20.8
151.07521	5.3
151.14850	3.0
157.10092	7.5
159.11659	28.7
161.13231	25.3
163.07484	13.8
163.11154	3.7
163.14824	7.9
165.09103	9.3
171.11674	6.0
172.12326	3.1
173.09541	5.5
173.13177	11.6
174.13797	2.6
175.14787	13.6
177.09087	7.2
177.16290	8.1
179.14227	4.6
185.13200	4.7
187.11214	3.0
187.14783	23.9
189.16345	23.3
191.10713	2.8
191.17909	100.0
199.14806	8.8
201.16313	42.2
203.17923	44.8
204.18196	3.6
205.12285	3.1
205.15799	3.9
205.19475	16.5
213.16364	9.3
215.17906	4.2
217.15869	3.6
217.19417	17.0
219.17386	17.1
225.16422	3.5
227.17755	2.5
228.80188	2.5
229.15858	11.8
231.17456	4.4
231.21106	3.0
233.15364	13.6
233.18983	2.7
241.19626	3.6
245.15242	4.0
245.22726	3.7
247.16879	34.0
253.19516	4.2
257.22409	3.0
259.16891	3.3
265.17789	6.9
277.18085	4.4
334.05463	2.6
391.33356	5.6
409.34561	3.6
415.51340	2.6
437.33932	8.2
455.28409	6.4
455.35129	38.9
456.35123	4.8
464.69949	2.7
468.02368	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	455.3518
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
55.05505	14.1
57.07067	4.6
65.03947	3.5
67.05495	32.1
69.07053	23.9
69.18896	15.4
71.04987	7.1
79.05482	18.9
81.07043	60.8
81.07497	5.0
82.07386	3.5
83.08614	12.7
85.02899	11.6
91.05454	23.0
93.07030	52.2
95.04964	5.6
95.08594	100.0
95.68149	3.1
97.10175	9.1
100.11299	3.2
105.07018	76.5
107.08572	80.0
107.09243	4.5
108.08932	3.1
109.06526	8.1
109.10140	62.8
111.08064	63.2
117.06997	7.1
119.08563	76.0
120.08913	3.1
121.10127	68.6
121.10984	4.4
123.08083	4.0
123.11673	18.7
129.05496	3.6
129.06984	3.7
130.07811	4.2
131.08530	23.0
133.10104	64.5
135.11681	31.5
137.13266	5.1
139.11186	5.7
143.08504	5.0
145.10101	45.8
147.11667	76.2
149.09662	2.9
149.13231	61.8
151.11218	4.7
153.09120	7.7
157.10120	6.9
159.11659	39.0
161.13242	59.0
163.11182	4.2
163.14803	36.6
171.11644	8.5
173.13232	19.5
175.14815	32.2
177.16354	56.7
179.10660	3.0
179.14351	4.0
181.46185	3.5
185.13293	5.3
187.14790	33.0
189.12785	4.7
189.16357	98.2
190.16701	4.6
191.17920	19.4
199.14828	10.8
201.16344	35.7
203.17915	97.1
204.18271	2.9
205.15868	15.6
205.19545	14.6
207.17395	26.7
213.16397	11.2
215.17961	25.8
217.15874	6.5
217.19531	8.1
219.17453	17.2
221.18982	5.9
227.17918	5.5
229.19630	5.8
231.17464	10.0
231.21005	4.4
233.19063	7.9
235.16910	8.1
241.19458	6.3
243.21083	5.7
245.22598	7.0
247.16959	5.9
249.18425	16.2
258.48648	2.7
259.20349	3.2
261.22067	4.1
263.53543	2.8
288.79544	2.7
293.17328	3.2
349.28754	3.4
351.30450	5.1
391.33493	14.3
397.30826	13.4
409.34613	91.5
410.34940	7.7
425.33975	7.3
427.35419	3.4
437.34094	35.8
438.34286	3.7
455.20847	43.7
455.35141	52.3
456.35977	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	455.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	17.2
57.03428	5.2
57.07070	4.9
66.23899	3.4
67.05494	31.2
69.03407	7.0
69.07072	21.2
69.07393	3.3
69.69176	9.4
69.69523	6.5
71.04989	20.9
75.04462	3.6
77.03887	3.2
79.05473	20.8
81.07049	70.7
83.04966	7.0
83.08619	10.4
85.02901	34.3
85.06561	5.0
86.09712	3.8
91.05470	24.2
93.07033	48.0
95.04957	7.4
95.08594	100.0
97.10160	7.6
101.05994	3.0
105.07011	63.8
107.08582	65.1
109.06517	6.6
109.10142	46.4
111.08060	48.6
117.06999	10.7
119.04937	10.3
119.08562	77.8
121.06457	4.5
121.10126	55.3
123.08118	4.5
123.11687	16.6
125.09634	3.3
128.84271	3.0
129.05440	8.1
129.06989	4.5
131.08548	19.1
133.10100	54.3
135.11688	29.4
137.09610	5.8
137.13206	5.1
139.11169	9.3
143.08601	7.2
145.10103	31.4
147.04376	47.2
147.06462	3.9
147.11664	69.2
149.13234	49.1
151.11180	8.2
153.09085	6.4
157.10168	5.6
159.11661	33.5
161.09665	4.0
161.13243	44.6
163.03989	4.5
163.11162	5.0
163.14786	30.9
171.11772	3.7
173.13243	19.0
175.14801	32.7
177.16330	36.7
181.38852	3.3
185.13147	4.9
187.14795	23.2
189.12749	6.1
189.16356	78.4
189.17995	5.3
190.16673	3.9
191.17981	11.1
193.15793	4.3
199.14857	5.6
201.16347	28.3
203.17940	69.1
204.18237	5.3
205.15889	13.6
205.19507	8.9
207.17406	22.9
213.16411	6.1
215.17964	15.8
217.15906	5.5
219.17473	9.9
221.18907	4.3
227.17999	5.0
229.19476	6.0
231.17438	7.9
233.18916	6.5
234.82906	3.8
235.16873	10.7
243.21065	4.9
249.18497	11.2
255.21054	4.9
259.20551	7.8
275.19711	4.1
293.17233	5.3
309.09760	4.9
391.33618	7.9
397.30792	7.8
409.34595	66.2
410.34665	9.8
411.19693	3.7
427.35809	4.4
431.34879	3.2
437.34143	22.8
455.22266	50.8
455.35223	41.1
467.17978	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	455.3514
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
55.05499	18.8
57.03427	3.2
57.07055	2.5
58.26558	2.0
67.00777	1.9
67.05495	27.3
69.07054	24.0
69.49352	7.5
71.04978	9.0
71.20411	2.0
72.62497	2.1
79.05476	18.8
81.06555	3.4
81.07042	65.7
83.04960	5.1
83.08607	9.6
85.02886	17.6
85.06530	2.2
87.27568	1.7
91.05467	19.1
93.07026	53.5
95.04974	6.7
95.08590	92.8
97.10178	6.0
99.16125	1.8
105.06477	1.3
105.07011	72.0
107.08575	72.7
109.06504	8.7
109.10137	56.0
109.63535	2.0
111.04436	3.1
111.08064	66.4
111.11689	3.7
114.30936	2.0
117.06999	5.6
119.08562	79.3
119.09420	3.8
121.06454	1.9
121.10122	58.9
123.08000	2.0
123.11707	19.1
125.09613	3.1
129.05447	6.5
129.06956	2.4
130.07744	1.9
131.08534	21.3
133.10109	56.6
135.07993	2.3
135.11673	34.8
139.07518	2.2
139.11150	5.8
143.08527	4.6
145.10103	43.9
147.08063	3.1
147.11664	79.7
149.09590	2.4
149.13231	66.9
149.90942	1.8
151.11209	3.7
153.09128	5.4
157.10103	8.4
159.11673	34.6
161.09624	3.1
161.13235	61.5
163.11183	4.3
163.14789	32.6
167.10687	3.5
171.11676	6.9
173.13223	25.5
175.14777	33.0
177.16350	53.9
178.16660	2.7
185.13213	4.5
187.14796	30.9
189.16354	100.0
190.16673	4.3
191.17908	16.5
193.12277	2.0
199.14783	8.1
201.16354	41.8
203.14297	6.9
203.17915	82.6
204.18263	3.2
205.15848	17.1
205.19461	17.0
207.17407	34.2
213.16347	9.1
215.17915	23.9
217.15897	4.6
217.19467	7.3
219.17325	12.1
221.15392	3.7
221.18922	6.1
227.17876	4.3
229.19475	5.9
231.17386	13.3
233.18958	6.6
235.16930	11.2
241.19479	5.2
243.21019	2.6
245.22607	5.2
247.16896	5.4
249.18446	15.1
255.21106	3.6
257.22580	2.1
261.18323	2.6
261.22134	5.5
269.22839	2.6
285.21677	2.7
295.24136	2.8
321.34256	2.3
351.30350	7.0
391.33438	14.6
397.30978	13.0
409.34576	99.9
410.34872	6.3
411.20496	2.0
419.32388	3.6
425.34064	8.6
427.35843	4.0
437.34055	39.2
438.34518	2.8
455.18552	2.7
455.35150	43.6
456.35614	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
52.74136	4.0
53.03947	4.6
55.05502	16.2
56.09237	5.3
57.07057	5.2
64.13512	3.9
65.04161	4.3
67.05486	30.3
69.07060	22.4
71.31101	4.3
79.05473	24.3
80.48512	3.9
81.07043	67.7
82.80971	5.0
83.08615	9.1
91.05460	30.1
93.07027	64.1
93.77126	4.2
95.08593	100.0
96.41526	3.9
97.06573	5.1
97.10188	5.2
105.07018	71.4
107.01177	3.9
107.08586	76.1
107.97421	4.8
109.06516	12.6
109.10126	58.4
111.08080	76.9
112.73442	4.6
119.08550	85.2
121.10126	66.9
123.11706	20.4
131.08557	21.5
133.10114	60.3
135.08185	4.5
135.11661	35.7
137.09576	4.6
137.13214	5.7
145.10138	46.8
146.02516	4.9
147.11673	85.8
149.09628	6.5
149.13237	62.6
151.85893	5.1
157.10118	9.8
158.46613	4.7
159.11697	34.8
161.13223	55.3
163.14815	35.5
171.11688	6.8
173.13235	22.6
175.14798	34.9
177.16377	39.4
179.14281	5.1
187.14803	29.2
189.16373	91.9
191.17998	15.7
199.14813	6.9
201.16364	41.8
203.17928	91.0
205.15836	16.9
205.19476	11.6
207.17398	24.5
213.16376	10.2
215.17885	23.9
217.15800	5.6
219.17462	14.9
221.18938	9.0
229.19528	9.2
231.17398	11.4
233.19095	5.5
235.16962	9.3
243.21075	6.0
245.22575	6.1
249.18497	12.7
342.26569	5.4
351.30313	8.0
391.33444	13.2
397.30930	15.0
409.34531	84.1
410.34821	6.8
425.34082	4.8
427.35364	5.3
437.34372	33.5
455.35181	50.9
456.35880	4.7
461.42459	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	455.3517
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
55.01873	2.0
55.05499	18.5
67.05498	28.2
69.07059	25.7
71.04974	6.9
75.15234	2.5
79.05475	22.9
81.07047	70.0
83.04946	2.6
83.08601	10.1
85.02876	11.6
91.05466	23.5
93.07030	57.5
95.04964	7.7
95.08596	100.0
96.08907	2.8
97.06475	3.6
97.10166	5.2
99.05849	2.3
105.07018	75.8
107.08583	75.2
108.08876	2.5
109.06485	10.4
109.10138	57.6
111.08075	68.5
117.07006	7.1
119.07737	4.9
119.08564	79.4
120.08898	2.3
121.06438	2.5
121.10128	66.7
123.08044	3.7
123.11719	16.3
129.05421	3.7
129.06992	2.6
130.07820	3.7
131.08556	24.6
133.10114	59.1
135.08055	3.5
135.11684	31.1
137.09657	2.6
137.13229	4.5
139.11165	5.5
143.08517	5.6
144.09325	2.5
145.10106	39.9
147.11667	71.8
149.09616	4.2
149.12102	4.2
149.13248	69.7
150.13583	2.5
151.11159	3.9
153.09084	9.1
157.10133	9.3
159.11682	34.6
161.09596	4.1
161.13225	51.8
163.11153	9.5
163.14807	33.7
171.11693	6.5
173.13239	28.7
175.14809	40.0
177.16364	51.8
178.16583	2.6
185.13217	5.5
187.14799	28.8
189.12733	3.2
189.16360	99.1
190.16615	2.9
191.17940	16.8
193.15863	2.4
199.14806	7.9
201.16351	36.0
201.18047	2.6
203.14256	2.9
203.17932	84.9
203.19852	4.7
204.18407	3.8
205.15842	13.4
205.17834	2.2
205.19455	15.0
207.17432	24.5
213.16415	10.6
215.17941	25.0
217.15849	4.3
217.19478	4.7
219.17374	11.1
221.19061	5.6
227.17905	5.7
231.17427	14.9
233.18991	6.7
235.16911	6.2
241.19525	4.4
242.13818	2.5
243.21001	5.5
244.49414	2.8
245.19250	2.6
245.22583	5.3
247.16988	4.4
249.18475	17.7
255.21191	3.9
257.22571	3.5
317.47366	2.3
330.11758	2.1
351.30823	3.3
391.33636	13.5
397.30917	11.6
409.34619	82.6
410.34735	5.9
419.33328	2.6
425.33817	5.1
427.36078	2.5
437.34070	27.6
438.34412	3.2
455.21878	2.7
455.35233	43.8
456.35275	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	456.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23896	0.4
53.03929	0.9
57.03409	1.2
57.07080	0.4
69.03419	4.5
70.06576	0.8
71.04971	0.8
73.02902	1.0
75.04467	4.1
81.03404	4.1
82.70939	0.4
85.02889	25.5
85.06511	1.7
91.41385	0.4
97.02881	5.7
98.97551	1.1
99.04427	1.2
103.03923	4.3
103.07564	3.1
108.07280	0.4
109.02863	2.9
111.10088	0.5
115.03914	1.4
116.48655	0.4
116.98602	0.7
117.05471	100.0
118.05811	1.6
126.03394	0.4
127.03886	7.0
127.07582	0.6
136.29323	0.4
139.03915	0.5
141.01245	0.4
145.04927	17.8
145.08589	1.1
157.04971	0.7
163.04599	0.9
163.05986	18.2
163.09650	1.3
217.07016	1.3
229.07037	1.0
247.08139	0.6
271.08072	1.5
289.09079	3.3
295.04782	0.6
307.10138	3.8
403.11896	0.5
456.15137	1.2
457.11655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23896	0.4
53.03929	0.9
57.03409	1.2
57.07080	0.4
69.03419	4.5
70.06576	0.8
71.04971	0.8
73.02902	1.0
75.04467	4.1
81.03404	4.1
82.70939	0.4
85.02889	25.5
85.06511	1.7
91.41385	0.4
97.02881	5.7
98.97551	1.1
99.04427	1.2
103.03923	4.3
103.07564	3.1
108.07280	0.4
109.02863	2.9
111.10088	0.5
115.03914	1.4
116.48655	0.4
116.98602	0.7
117.05471	100.0
118.05811	1.6
126.03394	0.4
127.03886	7.0
127.07582	0.6
136.29323	0.4
139.03915	0.5
141.01245	0.4
145.04927	17.8
145.08589	1.1
157.04971	0.7
163.04599	0.9
163.05986	18.2
163.09650	1.3
217.07016	1.3
229.07037	1.0
247.08139	0.6
271.08072	1.5
289.09079	3.3
295.04782	0.6
307.10138	3.8
403.11896	0.5
456.15137	1.2
457.11655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
55.01847	3.4
57.03428	4.9
60.04511	0.7
61.02903	2.5
67.05491	0.9
68.99763	1.1
69.03416	17.1
69.07047	1.2
70.06578	2.3
71.04981	31.7
73.02911	7.2
81.03407	13.8
81.07043	0.8
85.02893	40.2
85.06518	4.6
86.03212	0.8
86.09727	1.2
87.00336	1.3
87.00825	14.7
87.04440	1.9
89.03889	1.1
91.03938	1.6
91.05433	0.7
93.67685	0.7
97.02876	19.2
99.04456	6.4
105.01850	14.9
108.04472	3.3
109.02863	18.4
109.10122	1.2
113.05993	2.7
115.03927	6.4
117.01830	1.8
117.03385	1.3
126.05470	0.8
127.03899	28.4
127.07539	11.6
127.11166	7.5
129.01816	1.4
131.07019	16.3
133.04939	2.0
135.04393	1.3
136.07570	1.1
144.04395	2.5
145.02872	0.9
145.04947	14.4
145.08574	100.0
145.12216	28.6
146.08937	2.2
146.12576	0.8
147.02844	1.0
156.95958	0.8
158.23326	0.8
159.02864	7.0
163.03905	7.0
173.08095	4.6
191.09123	19.0
203.06970	0.8
208.11740	1.3
212.10196	1.0
213.03888	1.2
230.06607	1.3
231.04926	6.7
245.50711	0.7
248.07576	1.3
455.22357	1.0
456.12680	3.7
456.23090	6.5
457.19781	1.7
457.25027	1.1
483.38730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
56.22919	0.4
56.96556	1.6
57.03425	1.1
61.02913	1.6
69.03423	30.0
73.02872	1.0
81.03392	1.8
85.02893	18.8
91.03942	0.9
97.02882	47.3
98.97566	4.8
99.04472	0.8
109.02824	1.2
110.97552	1.1
115.03916	100.0
116.04269	1.3
116.98597	1.7
119.01833	0.5
119.94575	0.5
122.58530	0.5
127.03896	4.2
128.98592	2.1
145.04936	8.1
146.99573	0.7
163.06018	3.0
172.94336	0.6
173.01289	0.8
174.97630	2.1
188.55551	0.5
190.95267	0.7
192.98618	1.0
198.49059	0.6
198.97591	2.4
210.97568	1.7
216.98682	16.2
218.98373	1.0
219.01956	1.8
220.02057	1.0
228.98732	4.0
232.96524	0.6
234.99712	6.0
235.99721	0.8
236.99580	1.4
240.98680	2.0
243.00166	4.0
245.66521	0.6
246.99821	1.8
250.97495	0.7
252.98703	1.4
256.02139	0.5
258.99756	7.1
259.08206	1.7
270.99881	5.4
274.97495	1.3
277.00903	1.8
277.09061	4.6
282.99747	1.9
287.52078	0.5
288.98502	0.7
289.00931	2.1
292.98569	0.8
301.00784	5.2
314.95248	0.8
315.03870	0.7
317.57794	0.7
319.01837	5.7
325.11456	0.7
331.00070	2.0
332.00290	0.6
332.06842	0.7
332.96396	0.9
337.02939	1.2
348.08206	0.7
349.00607	0.5
350.08041	1.0
367.02002	0.7
385.02893	3.9
403.03793	1.2
415.04056	0.6
456.09518	0.7
457.04657	4.2
474.08328	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66208	1.4
51.02421	1.5
53.03943	2.0
53.36802	1.4
53.91264	1.6
55.01875	10.5
55.05496	2.9
57.03432	25.3
57.07069	19.1
58.12124	1.6
59.04973	2.2
61.02917	17.2
65.70087	1.4
69.03059	2.9
69.03421	38.3
69.07063	1.6
69.31314	8.0
69.66239	1.5
71.01337	5.0
71.04983	1.9
72.04490	2.0
73.02908	100.0
81.03403	5.6
81.07040	3.7
85.02892	91.4
87.04436	3.7
91.03937	3.5
93.07041	2.1
97.02882	64.2
99.04425	3.5
99.11715	7.1
100.11189	1.9
103.03888	3.9
105.07076	2.5
109.02882	6.9
115.03910	44.6
116.93446	1.9
119.08576	1.9
121.10123	1.7
125.09637	1.9
127.03896	27.6
127.11161	7.1
133.04951	48.1
144.06528	5.9
145.04935	40.7
145.12238	7.5
150.07619	5.0
156.06535	2.3
162.07619	3.0
163.06001	15.5
175.51924	1.8
180.08607	4.1
223.05945	3.0
229.91273	1.6
232.90372	1.5
241.07051	7.2
241.14406	1.7
259.07971	4.0
259.15445	2.9
289.16489	3.8
294.11728	1.8
370.18985	2.4
456.22629	2.3
456.28784	2.2
457.19635	3.6
457.24710	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	456.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01869	9.3
55.05508	1.5
57.03429	21.1
57.07060	5.5
59.04993	2.4
61.02920	15.9
67.05492	2.5
69.03058	2.7
69.03419	38.0
69.07059	1.6
70.00726	3.2
70.01061	1.7
71.01344	4.5
71.04990	2.4
73.02907	100.0
79.05463	2.1
81.03414	6.8
81.07044	3.1
83.08583	2.1
84.04482	1.6
85.02892	77.9
86.09673	3.0
86.71910	1.4
87.04449	4.6
91.03946	3.5
91.05468	2.5
93.07039	2.5
95.08583	3.9
97.02879	62.0
97.06499	2.9
98.22798	1.8
99.04430	3.5
103.03938	3.7
105.07014	2.0
107.08598	2.6
109.02847	5.1
109.10139	10.5
115.03104	2.8
115.03912	41.4
119.08527	2.3
121.10136	2.5
122.80230	1.4
127.03902	26.7
127.11178	10.2
133.04948	43.4
144.06555	4.9
145.03838	2.2
145.04951	37.1
145.12183	3.2
150.07594	3.5
156.06520	2.5
162.07640	4.0
163.03882	2.0
163.05991	13.5
180.08633	2.3
193.05025	1.5
199.05894	2.3
217.07094	1.7
223.06018	6.8
241.07065	6.5
259.07889	3.1
259.15604	2.6
276.10742	1.6
277.09109	1.7
289.16364	7.3
294.11685	1.5
295.77560	1.3
301.21759	1.7
301.78809	1.5
456.23224	7.5
457.23770	4.9
457.33008	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	456.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44707	0.6
55.01851	2.3
55.05498	1.6
57.03420	4.4
57.07064	1.7
57.36038	0.7
61.02915	3.9
69.03419	9.2
69.07069	0.8
69.82828	0.8
69.83155	1.3
70.06594	1.2
70.24894	0.6
71.01348	1.5
71.04978	11.2
73.02905	21.0
73.06528	1.9
81.03414	1.7
85.02894	18.4
87.04446	1.3
91.05469	0.7
97.02256	0.8
97.02879	16.2
99.04428	1.4
103.03917	0.7
109.02863	1.6
109.10141	3.6
115.03905	7.7
117.06990	0.6
125.78067	0.8
127.03893	6.5
127.11169	21.3
133.04930	8.6
137.05939	1.1
145.04938	7.7
145.06438	1.4
145.12212	100.0
145.39496	0.7
146.12555	2.7
151.07475	0.9
155.88911	0.6
163.06027	3.5
163.07309	0.8
174.30373	0.7
223.06012	1.4
241.07007	1.4
259.08063	1.4
456.13318	6.8
456.22992	1.6
457.13458	1.2
457.19693	1.3
463.99988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72137	0.7
53.03930	0.8
53.06213	0.6
53.85519	0.6
55.01847	1.5
55.05486	0.9
57.03428	5.3
57.07065	2.4
59.04996	0.9
62.76632	0.7
67.05490	1.1
69.03419	20.7
69.07076	3.6
69.99150	1.8
70.06573	1.3
70.85796	0.6
71.04984	13.9
72.08170	0.8
73.02901	2.7
73.06549	1.4
75.04472	1.3
81.03403	3.1
82.45776	0.7
85.02402	0.9
85.02896	16.2
85.06517	0.9
86.09719	0.7
86.48444	0.7
87.00812	1.9
87.03950	1.2
87.04458	11.6
89.03914	0.8
97.02878	16.3
99.04456	1.9
105.01842	2.6
109.02872	3.8
109.10153	4.1
113.05987	0.8
113.83736	0.8
115.03922	15.5
117.03352	0.9
122.05984	0.8
127.03909	7.2
127.07533	2.1
127.11176	21.5
131.07033	2.1
133.04948	12.8
135.04350	1.7
144.04419	1.2
145.02850	1.3
145.04948	3.3
145.08568	11.4
145.12215	100.0
146.12544	1.6
150.07565	1.1
159.02879	0.8
161.02609	0.9
163.03877	10.8
188.07298	0.7
191.09140	2.6
231.05054	0.7
241.79266	0.7
259.11713	1.2
443.74316	0.7
456.12823	2.4
456.22946	4.5
457.19284	2.3
457.23999	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	456.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.2
57.07069	28.3
58.06583	3.0
67.05494	3.9
67.55518	0.6
69.07057	4.0
70.06584	24.7
70.55273	1.3
71.04992	0.7
71.08264	1.2
71.08622	15.8
72.08129	0.8
73.02919	1.9
79.05502	0.7
81.07045	3.9
83.08615	3.8
85.10175	4.6
88.07617	30.7
93.07037	1.4
95.08595	5.9
97.10154	2.0
102.09164	21.8
102.09834	1.4
106.08649	0.8
107.08521	0.6
109.10133	3.1
116.03619	0.7
121.10127	0.7
135.44305	0.6
138.17242	0.6
156.17557	0.8
197.08109	1.1
198.08414	0.7
200.20062	68.7
201.20427	1.9
218.21107	6.9
227.20026	2.1
283.26276	77.3
284.26654	2.6
288.30225	0.8
456.44052	100.0
457.44394	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	457.1116
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03939	4.0
55.01873	1.7
57.03431	13.1
57.07059	4.3
59.05006	6.5
61.02903	1.4
66.35397	1.1
67.05493	2.3
69.03426	16.8
70.06590	3.0
71.04990	10.1
71.43787	1.4
73.02916	8.7
73.51411	1.1
80.56185	1.1
81.03408	26.4
84.08118	1.9
85.02900	8.4
85.06541	4.0
86.06050	1.4
86.09685	1.7
88.04931	1.3
95.04955	1.9
97.02888	6.2
98.98465	21.0
99.04442	15.8
103.07578	13.1
106.06545	14.3
113.05997	1.3
115.03927	3.5
117.05472	10.4
118.42914	1.1
124.07555	2.3
127.03918	2.0
127.07533	5.4
129.10268	1.5
130.06577	1.7
130.54431	1.3
133.04930	3.4
134.06032	7.6
136.07550	1.4
138.14018	1.2
145.04959	2.2
145.07571	3.3
145.08563	1.8
147.05809	1.3
147.09157	3.4
152.07068	3.8
157.07584	2.4
159.09138	6.6
159.40672	1.2
163.03923	2.5
163.09604	8.5
164.41452	1.1
170.07095	2.1
172.08678	30.4
173.07095	3.8
175.08720	2.5
184.08659	2.1
185.10748	1.5
186.10252	1.6
190.09743	2.4
191.08231	1.4
197.09438	2.2
198.06570	7.9
198.10266	2.6
200.08191	5.0
209.10892	1.4
210.10179	2.2
214.09778	5.1
216.07661	20.5
218.09282	2.4
219.07700	1.8
224.11763	1.6
226.09796	1.5
243.08757	54.2
244.07097	3.0
252.11334	1.8
285.09799	1.8
295.13333	1.9
296.11218	7.5
297.09763	2.1
316.13086	2.7
323.11447	3.2
334.09833	1.9
334.13959	1.6
334.34903	1.3
341.12460	9.2
359.13254	38.6
360.13593	2.0
377.14557	4.2
396.09503	7.9
397.07938	2.2
403.07886	1.9
414.10553	10.0
421.08868	6.9
439.10083	100.0
440.10437	6.2
457.10300	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	457.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50407	1.2
57.03421	2.1
67.88010	1.2
69.03407	4.6
70.06594	2.9
71.06084	1.4
72.08169	1.7
73.02896	1.5
77.00599	1.4
78.03771	1.2
79.05463	4.6
81.03394	3.2
83.08601	1.5
84.08884	1.3
85.02888	5.6
86.06055	14.2
86.09685	4.3
95.91631	1.5
97.02874	5.4
99.04405	2.8
101.00572	1.3
103.03930	2.2
103.99597	1.3
106.06536	56.3
109.02910	1.4
115.03868	2.0
115.08670	5.7
116.07054	1.6
118.03209	8.0
124.07548	2.1
127.03914	5.4
129.05449	2.1
134.05992	31.6
136.84793	1.4
145.04970	2.0
147.05838	18.6
149.07382	2.2
152.07034	15.9
161.02641	2.4
167.19395	1.2
172.08673	2.7
192.10045	1.8
216.07646	1.8
243.08783	3.7
257.06836	2.0
263.10580	1.7
267.67886	1.4
272.77930	1.4
277.09604	1.6
295.13217	21.7
296.11188	36.8
296.26883	1.2
327.40729	1.4
337.14133	1.7
359.13477	3.0
439.10110	8.8
457.14386	100.0
457.19931	3.7
458.16119	9.8
476.16837	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10684	0.5
61.92607	0.5
64.66532	0.5
70.22742	0.5
90.08234	0.4
97.02892	0.8
98.23470	1.4
123.45467	0.5
137.05977	1.1
148.10721	0.5
167.70580	0.5
272.90140	0.5
273.09354	2.9
277.17700	1.5
308.91776	0.5
371.95233	0.6
427.17282	1.6
457.18161	100.0
457.24069	39.0
458.18463	6.8
458.24478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.8
56.93057	0.9
57.03430	16.8
57.07071	13.0
59.04984	2.3
61.02909	3.5
61.39535	1.0
64.27678	1.1
67.05489	2.0
69.03420	9.9
70.06596	3.3
71.01366	1.3
71.04980	2.9
73.02914	15.2
78.81770	1.0
79.05507	1.5
81.03404	1.9
85.02895	29.7
85.06526	14.9
86.09693	2.3
86.89884	1.0
87.04449	1.4
91.03972	1.2
95.04967	4.2
97.02885	16.3
98.22870	1.0
98.97569	6.7
101.06016	4.8
103.03952	2.4
103.07570	100.0
104.07917	1.5
106.06525	11.0
109.02874	2.2
109.37456	1.0
113.06011	4.3
115.03914	5.5
116.98609	2.9
117.05463	5.7
118.05820	2.4
124.42333	1.0
127.03870	7.8
127.07549	10.4
129.10243	1.2
131.07037	3.6
133.04965	13.0
134.05992	5.2
145.04922	9.2
145.08606	6.9
152.07072	2.3
158.99649	1.2
163.06104	2.2
163.09637	54.7
164.10037	1.6
172.15488	1.1
177.00789	1.5
238.01430	1.9
241.07109	1.7
267.06384	1.6
295.04883	3.4
296.11194	5.9
307.70602	1.0
312.08615	1.2
324.67422	1.0
337.05853	2.3
442.18735	1.2
458.15945	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
57.03429	19.6
57.07069	14.3
61.02916	3.0
62.68071	0.9
67.39153	1.1
69.03419	14.4
69.27712	4.4
71.01337	1.0
71.04974	3.1
73.02901	13.6
85.02892	23.3
85.06528	20.1
87.04475	2.5
91.03912	1.2
95.04971	4.3
97.02882	14.0
98.22752	1.6
99.04440	1.5
101.06022	4.4
103.07565	100.0
104.07947	2.4
104.69043	1.1
106.06517	1.7
113.05990	4.7
115.03912	7.5
127.03902	6.8
127.07545	11.8
131.07077	3.0
133.04955	11.2
145.04907	6.0
145.08554	7.8
163.06047	1.7
163.09630	49.1
241.07089	1.8
280.58694	1.2
296.11188	2.6
309.35287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01862	5.0
55.05499	9.1
55.34628	2.8
59.31435	2.5
60.50255	2.0
67.05490	9.2
69.03426	17.0
69.07061	13.5
70.06574	3.3
72.08134	3.2
73.02911	2.6
79.05487	14.1
81.03428	12.9
81.07053	22.5
83.04957	6.0
83.06088	6.3
83.08613	3.0
84.04498	10.1
85.02904	20.7
85.06537	2.6
86.09718	11.3
87.00814	8.0
91.05473	9.9
93.07043	12.4
95.04959	5.7
95.08601	15.1
97.02885	9.4
97.10142	3.0
99.04420	6.0
101.07182	2.7
102.05513	2.6
105.07027	16.4
107.04942	4.2
107.08590	31.3
109.02875	7.3
109.06474	10.9
109.10164	17.3
111.08030	3.0
115.03936	3.1
115.05406	2.6
117.06970	2.5
119.08556	9.7
121.02809	3.4
121.06486	4.0
121.10127	26.5
122.07295	7.1
123.08054	5.0
123.11731	4.8
127.03974	10.7
129.06581	10.7
130.05008	12.3
131.08554	2.8
133.10120	100.0
134.10463	2.3
135.08043	9.5
135.11702	6.3
137.05975	2.6
137.09601	58.3
137.13193	3.2
139.11182	4.6
143.08553	2.4
145.04965	4.6
145.10094	5.6
147.07706	6.4
147.11665	6.3
149.09608	9.8
149.13255	13.4
151.11151	30.2
153.57651	2.0
159.02824	3.1
159.08095	3.3
159.11615	2.8
161.13289	2.8
163.03879	12.2
163.07539	2.9
163.11113	3.5
163.14801	3.8
165.09135	3.1
165.12758	21.3
165.42235	2.8
173.09651	2.2
173.13264	7.1
191.14272	36.7
193.15939	4.3
203.88998	2.1
209.15355	62.4
236.07010	2.5
277.17926	3.1
306.44104	2.4
353.55573	2.6
369.23642	2.4
457.24371	87.5
458.24048	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01862	5.0
55.05499	9.1
55.34628	2.8
59.31435	2.5
60.50255	2.0
67.05490	9.2
69.03426	17.0
69.07061	13.5
70.06574	3.3
72.08134	3.2
73.02911	2.6
79.05487	14.1
81.03428	12.9
81.07053	22.5
83.04957	6.0
83.06088	6.3
83.08613	3.0
84.04498	10.1
85.02904	20.7
85.06537	2.6
86.09718	11.3
87.00814	8.0
91.05473	9.9
93.07043	12.4
95.04959	5.7
95.08601	15.1
97.02885	9.4
97.10142	3.0
99.04420	6.0
101.07182	2.7
102.05513	2.6
105.07027	16.4
107.04942	4.2
107.08590	31.3
109.02875	7.3
109.06474	10.9
109.10164	17.3
111.08030	3.0
115.03936	3.1
115.05406	2.6
117.06970	2.5
119.08556	9.7
121.02809	3.4
121.06486	4.0
121.10127	26.5
122.07295	7.1
123.08054	5.0
123.11731	4.8
127.03974	10.7
129.06581	10.7
130.05008	12.3
131.08554	2.8
133.10120	100.0
134.10463	2.3
135.08043	9.5
135.11702	6.3
137.05975	2.6
137.09601	58.3
137.13193	3.2
139.11182	4.6
143.08553	2.4
145.04965	4.6
145.10094	5.6
147.07706	6.4
147.11665	6.3
149.09608	9.8
149.13255	13.4
151.11151	30.2
153.57651	2.0
159.02824	3.1
159.08095	3.3
159.11615	2.8
161.13289	2.8
163.03879	12.2
163.07539	2.9
163.11113	3.5
163.14801	3.8
165.09135	3.1
165.12758	21.3
165.42235	2.8
173.09651	2.2
173.13264	7.1
191.14272	36.7
193.15939	4.3
203.88998	2.1
209.15355	62.4
236.07010	2.5
277.17926	3.1
306.44104	2.4
353.55573	2.6
369.23642	2.4
457.24371	87.5
458.24048	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	457.2044
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
55.05499	2.5
57.07071	0.8
57.59494	0.4
61.10916	0.6
65.09495	0.5
67.05499	2.9
68.69608	0.6
69.03411	1.4
69.07047	2.3
71.05003	0.9
73.02892	0.9
74.06042	0.6
79.05492	3.5
81.07052	5.8
83.04967	0.7
83.08612	1.3
85.02902	1.1
91.05483	2.5
92.91455	0.6
93.07039	3.1
95.04924	0.9
95.08604	5.4
97.02879	0.7
97.06481	1.0
97.10141	0.8
105.07032	4.2
107.08578	4.3
109.06467	0.6
109.10139	3.7
117.06987	0.7
119.08566	2.4
121.06519	0.8
121.10116	2.5
122.10437	0.6
122.18250	0.5
123.08064	1.0
123.11684	1.1
125.09619	0.6
130.79466	0.5
131.08539	1.0
133.10107	2.2
135.04369	0.5
135.08005	1.9
135.11653	1.3
137.09607	1.2
139.11090	0.5
143.08492	0.9
145.10100	1.8
147.11629	1.2
149.09619	0.8
149.13202	1.7
157.10074	0.8
159.08055	0.5
159.11641	1.1
160.94182	0.5
161.09576	0.8
161.13245	0.8
163.03889	2.4
165.07623	0.5
165.09087	2.1
169.10179	1.0
173.09599	0.9
175.11206	0.8
177.16220	0.6
187.11122	0.8
209.15262	0.6
213.12772	1.0
223.09366	5.6
249.14566	1.0
257.09967	4.7
295.15051	1.4
317.21042	0.7
349.33496	0.5
421.27072	0.7
457.20230	100.0
457.33170	11.6
458.20673	5.5
458.33423	0.6
481.56381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44551	1.6
69.03400	2.1
70.74802	2.8
79.05502	1.8
81.07051	2.6
86.12643	1.4
91.05436	1.5
95.08604	2.1
105.07056	2.4
107.08577	2.2
119.08572	1.9
135.08072	2.2
165.09123	3.6
214.47754	1.5
220.29112	1.6
230.05724	1.8
265.69553	1.7
295.18741	4.1
304.05881	1.6
323.15018	1.7
337.16876	3.2
340.38275	1.4
340.44406	1.3
392.47153	1.5
457.21957	100.0
458.22333	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	457.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07073	0.5
81.07069	0.5
95.08590	0.6
98.28132	0.4
102.12867	0.4
105.08179	0.4
106.06499	0.5
116.55446	0.5
121.02940	0.4
144.04457	0.5
179.52129	0.5
198.12177	0.4
201.03726	1.3
203.05229	9.2
242.62083	0.4
257.22488	0.4
277.17731	14.3
279.19269	9.1
282.88031	0.5
382.01791	0.4
457.24036	100.0
458.24423	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	457.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37608	1.8
67.05505	2.1
70.04049	1.7
70.66126	1.9
81.07047	2.5
90.95109	1.7
95.08586	3.5
103.54021	1.5
109.10124	2.0
109.24988	1.5
119.08555	2.0
120.88424	1.6
124.56466	1.8
135.11746	1.9
161.02112	1.7
161.06100	2.0
164.22868	1.7
165.09036	3.0
167.20404	1.6
174.12111	2.1
176.15253	1.8
182.23459	1.5
186.28537	1.4
229.04996	3.2
230.85783	1.6
231.32417	1.7
277.56906	1.6
295.18784	93.7
296.19135	4.6
371.83902	1.6
421.77835	1.6
437.89841	1.6
457.24036	100.0
458.24411	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	457.2406
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
50.35469	0.5
52.70906	0.5
54.55339	0.5
69.07211	3.2
70.06599	1.0
79.05500	0.6
81.07053	0.7
85.06630	0.5
91.05414	0.4
97.06521	0.6
98.23439	1.1
107.08631	0.6
121.10042	0.5
165.06961	0.6
183.35504	0.5
201.03722	1.3
203.05237	8.4
204.36931	0.5
224.82173	0.5
229.15355	0.5
277.17728	12.8
278.18106	0.8
279.19284	9.2
359.20105	1.1
397.41589	0.6
413.16928	0.5
457.24075	100.0
458.24432	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	457.2405
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
52.99306	0.5
53.03951	0.9
55.01864	1.3
55.05509	2.2
57.03449	0.5
57.07063	0.7
61.02922	0.7
67.05496	3.0
68.65386	0.5
69.03427	4.2
69.07069	3.3
70.06593	0.9
71.04995	1.8
72.08153	0.8
73.02917	1.5
78.57587	0.5
79.05487	1.8
81.03411	2.0
81.07047	4.8
83.04970	2.7
83.08604	1.2
84.04073	0.5
84.04520	1.4
85.02902	4.0
85.06535	0.8
86.09707	3.1
87.00826	1.5
91.05487	2.0
93.07027	3.9
95.04989	1.4
95.08588	7.3
97.02891	1.6
97.06556	1.7
97.10149	0.7
97.19640	0.5
99.04475	1.0
99.08094	2.0
105.07014	4.3
107.04981	0.6
107.08574	9.8
107.25446	0.5
109.02879	1.5
109.06506	2.9
109.10146	6.7
111.08083	1.0
115.03926	1.1
117.07008	0.8
119.08582	2.9
121.06513	0.6
121.10124	9.8
121.10971	0.7
122.07281	0.8
123.08061	2.1
123.11710	1.1
125.09605	4.1
127.03944	1.8
129.06874	0.5
130.04951	1.2
131.08554	2.4
133.10115	5.0
135.04398	0.9
135.08060	4.4
135.11725	2.4
136.08835	0.6
137.05977	0.9
137.09605	3.8
139.11189	1.9
145.10123	1.6
147.11633	2.6
149.06027	0.5
149.09598	4.0
149.13254	4.5
151.07596	0.6
151.11166	21.9
152.11537	0.7
153.09100	0.9
157.10049	0.7
158.10909	0.8
159.02928	0.8
163.03868	3.8
163.14799	4.5
163.44965	0.5
165.09024	0.7
165.12766	1.3
173.09618	0.6
173.13226	4.2
175.14871	0.6
191.14284	19.7
192.14677	0.9
209.15332	17.9
215.14409	0.5
241.09128	0.5
268.19257	0.7
295.18881	2.0
297.16403	0.6
392.19168	0.6
439.22998	1.2
457.24167	100.0
458.17459	0.6
458.24591	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2407
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
69.03414	0.4
69.09292	1.9
69.09689	0.8
70.06588	1.6
71.04986	0.6
81.03432	0.4
85.02895	0.8
86.09694	1.0
86.34151	0.4
91.05488	0.4
93.64570	0.5
97.02913	0.5
106.54125	0.5
110.27203	0.4
111.04307	0.4
115.03983	0.5
120.08171	0.4
126.83763	0.4
127.03948	0.4
128.07089	0.5
130.41536	0.4
133.05000	0.5
136.07600	0.6
137.05933	0.5
145.12268	1.5
146.12593	0.8
147.04440	0.6
163.03928	0.5
178.08653	0.6
201.03665	0.4
203.05244	3.4
210.14963	0.7
226.06230	0.7
273.09427	9.3
277.17685	4.4
279.19260	4.0
279.21710	0.4
280.06009	5.4
295.11816	0.6
295.15359	0.5
295.18872	0.7
397.12048	0.5
413.17889	0.4
439.32870	0.8
457.24197	100.0
458.07327	1.1
458.24521	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	457.2406
Annotation	Lys Tyr Phe
Peak:m/z	Relative Intensity
69.03428	1.1
70.06582	1.2
71.04987	1.2
79.05473	0.8
81.03407	1.1
85.02905	1.8
87.00826	1.0
97.02892	1.2
100.79809	0.6
102.40824	0.6
103.97211	0.6
105.01866	0.9
109.02882	0.8
117.47211	0.6
127.03915	1.3
130.00302	0.6
131.07028	0.8
145.08577	3.5
146.08943	2.0
147.04352	0.9
147.96822	0.6
149.09619	1.5
179.69514	0.5
190.87366	0.6
201.03712	2.3
203.05270	4.9
211.38182	0.5
277.17654	6.4
279.19238	11.2
295.15268	2.4
295.18631	0.8
331.10263	0.6
396.74829	0.6
439.22849	0.6
457.24695	100.0
458.14993	0.7
458.25128	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	457.3673
Annotation	Dulcioic acid
Peak:m/z	Relative Intensity
51.27100	20.1
59.56866	19.9
71.42884	24.4
95.08594	29.9
131.19441	22.0
137.13297	25.5
140.94095	22.5
175.14806	30.6
200.20103	39.5
214.38246	20.6
218.69670	22.3
250.36626	21.0
288.46667	21.8
322.31256	22.5
341.75677	24.3
360.90292	29.4
397.15109	23.6
411.36279	40.3
439.35602	100.0
457.44257	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	458.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01853	3.0
61.02921	1.2
67.05482	3.2
69.03423	2.4
69.51012	4.1
69.51351	1.4
70.06575	2.7
71.04957	0.9
72.08137	2.0
77.03897	1.8
79.05475	7.8
81.03428	1.4
81.05653	1.0
81.07021	1.3
83.04939	1.2
84.08079	1.2
85.02886	4.0
86.09676	3.9
87.04447	1.3
91.05469	14.9
93.05779	1.6
93.07030	32.1
95.04961	8.8
95.08591	7.3
96.08115	1.7
97.02863	3.2
98.22701	1.4
99.04432	1.3
103.05453	100.0
104.04961	1.1
104.05730	1.7
105.04491	3.7
105.05201	0.9
105.06454	1.1
105.07024	14.6
106.06505	1.4
106.07856	1.0
107.04915	3.1
109.02882	1.1
109.10155	1.0
110.06009	2.6
115.03925	10.5
115.05398	2.2
116.04959	1.6
117.03348	1.0
117.06983	2.0
118.06514	10.8
119.04907	3.7
120.05600	1.2
120.08084	6.7
120.08834	1.3
121.06492	27.8
121.10152	1.5
122.05985	3.6
123.08052	14.8
124.07553	1.6
127.03848	1.2
128.06197	2.1
129.06970	4.4
130.06476	4.4
131.04909	31.7
132.04401	4.5
133.02802	1.3
133.05066	0.9
133.06477	1.7
133.10100	1.5
134.06007	5.2
135.04335	1.1
136.07527	1.9
137.09627	1.2
144.08060	1.4
145.06470	2.4
146.05992	6.1
147.04382	3.6
147.08002	1.3
147.10167	1.3
148.07550	95.3
149.05960	40.3
149.07814	1.5
150.05450	3.3
153.78807	1.0
155.04866	1.9
156.08029	3.6
157.06488	6.6
158.06024	1.5
159.04289	1.2
161.05936	1.2
163.03882	9.0
164.07004	2.8
166.08612	69.9
168.13847	1.3
172.07545	3.7
173.02269	1.7
173.05908	1.9
175.07462	1.5
176.06973	1.2
182.05940	2.8
183.04398	1.9
184.07512	3.9
185.05930	3.0
187.03819	4.2
191.03362	47.1
191.07004	1.5
191.14275	1.0
192.03627	2.0
192.14694	1.2
200.07018	4.3
202.08653	7.3
214.08620	1.3
215.03345	5.9
215.06935	2.4
217.08556	1.4
218.08067	2.0
219.02827	2.5
220.09630	7.7
221.04362	2.6
228.06488	3.3
229.04893	1.0
230.08066	1.7
233.04424	1.6
243.03000	1.2
245.07942	2.0
246.52306	1.1
247.05984	4.2
260.09125	2.2
261.03952	8.9
261.09879	3.4
262.10742	2.6
263.05301	1.1
265.06891	1.8
275.05463	3.1
278.10153	2.8
280.06076	4.5
293.06284	6.2
317.07901	1.4
321.07394	1.3
331.05966	1.5
345.07425	3.3
349.07281	1.9
423.10403	1.2
426.11591	3.0
440.13345	10.1
457.23862	3.6
458.14258	47.8
458.24933	7.2
458.31171	2.2
459.14993	2.6
459.22000	4.2
475.61145	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19983	1.5
52.43316	2.0
53.03950	8.4
55.01862	3.0
56.96564	2.5
57.03417	3.7
61.02913	7.0
69.03418	32.0
70.75402	3.0
71.04977	7.2
72.08153	2.1
73.02910	10.1
75.04468	3.2
81.03403	24.2
84.96007	1.7
85.02892	56.9
91.03951	4.5
97.02882	59.8
98.97590	6.7
99.04443	11.9
99.79552	1.6
101.02377	7.3
104.02607	1.7
105.01869	5.5
108.04492	1.7
109.02864	41.4
110.97549	2.2
115.03925	10.0
116.98592	5.1
117.72009	1.6
118.90140	1.6
119.03396	100.0
127.03894	71.0
129.05449	2.0
138.75171	1.7
145.04932	44.4
153.38528	1.7
163.06024	2.2
165.03931	61.7
165.05368	3.0
169.01299	11.1
194.66103	1.6
201.03918	2.4
207.04915	2.2
219.01749	5.2
219.05035	6.2
237.02765	9.0
239.04811	2.3
245.06551	5.1
263.07639	5.6
273.06003	10.4
291.07019	19.5
309.08060	5.0
352.06998	3.2
370.07993	4.0
405.10150	4.2
458.10172	3.9
458.16980	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	458.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03941	0.9
55.05494	0.5
56.69172	0.5
56.96562	0.8
57.03434	0.7
58.31717	0.4
58.49908	0.3
65.03911	0.5
70.06580	1.8
71.04951	1.1
71.40742	0.6
71.41112	0.5
72.08147	1.2
73.02914	0.5
76.16098	0.4
79.05487	5.8
80.04996	0.5
81.03411	0.7
84.08148	1.8
85.02898	3.0
85.06567	0.6
86.09713	2.0
95.04965	3.4
96.04484	0.9
96.08105	0.4
98.97575	3.6
99.04443	1.9
103.03945	4.1
103.07574	1.5
105.04504	1.1
106.06548	100.0
107.06878	2.0
110.07171	0.5
116.07123	0.5
116.98610	1.9
123.06832	0.4
124.07590	5.0
127.03910	4.4
127.07539	0.7
129.10226	1.1
134.06007	49.2
134.99652	0.7
135.06351	0.7
145.04941	1.7
145.08592	2.5
148.07574	1.6
152.07054	20.7
153.07387	0.4
158.99600	0.5
163.05989	0.6
163.09642	0.6
170.08109	0.6
176.07013	0.5
184.83961	0.4
185.16533	0.4
192.10164	3.3
194.08081	0.6
218.08157	0.7
234.11240	0.6
236.09196	3.4
249.05441	0.7
261.09766	0.7
267.06433	1.1
278.04340	0.5
278.10162	1.3
295.05124	0.8
296.05487	1.8
296.11264	60.6
297.11450	1.9
303.01572	0.4
338.06488	0.6
399.13028	0.7
424.91486	0.4
452.51837	0.5
458.16574	10.3
458.30273	0.8
459.16687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1653
Annotation	Calanthoside
Peak:m/z	Relative Intensity
53.03940	0.8
58.24820	0.6
62.89323	0.5
69.74713	1.6
70.06591	0.7
71.04973	1.4
72.08141	0.6
77.03910	0.8
79.05481	6.2
82.06548	0.5
84.08123	0.8
85.02898	2.9
86.09709	0.6
95.04971	3.3
96.04446	0.6
99.03886	0.5
99.04443	2.9
100.06532	0.5
103.03928	3.6
105.04514	0.9
106.06542	100.0
107.06862	1.6
111.24567	0.6
123.06813	0.5
124.07567	6.2
127.03915	3.2
129.10225	0.5
134.05997	49.5
135.06337	1.2
145.04956	1.2
145.08569	1.4
148.07568	1.8
152.07054	19.5
163.06068	0.6
170.08118	0.7
176.07047	0.8
192.10144	3.6
197.89220	0.5
217.04837	0.5
218.08090	0.8
234.11259	1.1
236.09229	3.1
243.08652	0.9
244.09033	0.7
278.10257	1.4
296.11249	61.4
297.11572	2.0
314.12170	0.6
327.31494	0.6
360.13785	0.7
381.22607	0.5
382.10272	0.6
440.10294	1.3
458.10800	0.6
458.16531	10.4
459.08975	0.8
459.15472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88639	0.3
57.03438	0.4
62.13647	0.2
67.05499	0.4
69.03419	0.4
69.19942	1.1
70.06583	0.3
75.84171	0.2
79.05481	0.3
81.07059	0.5
85.02916	0.9
86.09687	0.5
91.05474	0.3
93.05802	0.3
93.07014	0.6
95.04974	0.6
97.02891	0.5
98.22666	0.6
99.04426	0.3
104.04970	4.5
105.07011	0.5
105.09582	0.3
107.08554	0.4
109.02850	0.4
115.03918	0.5
118.06509	0.6
121.86287	0.3
131.08580	0.3
132.04433	100.0
133.00691	0.3
133.04747	2.0
136.07550	0.7
146.06000	0.4
164.07040	45.2
165.07402	0.7
174.05525	0.3
203.56143	0.3
204.81024	0.2
311.14468	0.3
316.14297	0.3
326.12061	0.3
334.15176	0.5
357.95630	0.3
404.64328	0.3
457.23782	1.1
458.16620	0.7
458.23544	3.0
459.18304	2.2
459.24078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50886	1.0
53.03934	1.6
54.16060	1.3
55.01865	2.5
55.05504	2.5
57.03427	8.7
61.02902	4.0
67.05499	1.6
69.03412	17.4
71.01326	2.8
71.04979	30.7
73.02903	13.1
75.04452	3.7
79.05484	1.5
81.03416	4.0
81.07045	1.7
83.04966	12.7
85.02888	100.0
91.03960	1.7
93.07027	1.4
95.04961	2.6
95.08586	2.9
97.02873	28.1
99.04446	2.7
105.07018	2.0
106.07375	1.4
107.08574	2.0
109.02857	3.4
109.10165	1.3
111.04428	11.1
113.06023	1.4
115.03906	26.1
119.08530	1.6
123.04395	1.6
127.03899	7.4
129.05453	34.1
133.04945	4.2
133.10132	1.2
139.03874	4.9
145.04907	11.0
147.05348	1.4
147.06511	21.9
153.05396	2.6
157.04927	2.2
162.13596	1.7
163.06010	2.4
165.07561	2.7
169.04845	1.3
171.06497	3.7
183.06541	1.7
195.06505	2.3
204.18275	1.2
225.07550	10.9
243.08620	11.0
255.08693	1.4
261.09622	4.0
278.12323	1.3
279.10706	12.6
411.35211	1.8
439.34464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.43178	0.6
56.96550	0.9
57.03442	0.7
60.10548	0.5
69.03422	5.9
70.47488	1.1
71.04981	12.8
71.98666	0.5
73.02883	0.8
81.03411	2.4
85.02892	10.5
86.56384	0.5
89.90511	0.5
92.19885	0.7
97.02875	9.5
98.97592	0.6
99.04439	100.0
100.04768	2.1
107.33717	0.5
109.02846	2.5
115.03911	1.4
117.05470	20.3
120.08072	2.5
127.03893	6.0
145.04921	5.0
146.06010	0.7
147.04446	0.6
166.08583	1.3
243.08670	4.1
261.09680	12.0
296.06583	1.0
305.06888	1.0
311.02872	1.1
329.03845	0.7
381.14191	0.6
458.09198	1.2
458.14761	1.6
476.10602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01861	1.7
55.05503	2.3
57.03432	1.7
59.87554	1.2
67.05494	8.3
69.07050	2.9
72.34639	1.3
79.05469	4.4
81.03388	4.6
81.07043	11.2
91.05466	3.0
93.07032	6.3
95.04948	2.8
95.08579	4.0
105.07004	3.4
107.04944	3.3
107.08577	2.7
111.08040	1.3
115.05441	18.3
117.07011	2.5
119.08583	2.3
121.06469	1.7
121.10091	1.5
123.08057	3.9
129.05695	3.7
131.08458	1.7
133.06563	1.3
133.10110	1.6
141.06892	1.6
142.06503	23.6
144.08099	10.3
145.06471	2.7
145.10110	2.2
156.08025	1.5
157.05165	1.9
158.06018	1.9
160.07558	5.9
161.09502	1.2
167.07254	1.5
168.08052	3.0
170.05983	100.0
171.06299	2.8
180.08076	8.0
182.09554	2.8
188.07036	49.9
189.23964	1.2
193.08781	2.0
194.09668	2.1
196.07457	3.4
198.09045	2.3
206.09547	1.8
208.07556	1.4
215.08626	1.5
218.09660	1.8
220.11119	2.3
222.09084	2.4
224.10648	3.0
226.08609	8.6
236.10645	3.8
244.09674	5.1
250.12086	1.9
304.17316	2.4
304.20465	3.4
330.18503	11.4
343.44241	1.5
348.19531	26.7
366.20587	10.9
404.22165	5.0
422.23276	2.2
458.25272	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	458.2534
Annotation	Roquefortine E
Peak:m/z	Relative Intensity
51.87077	0.6
53.03938	1.9
55.01864	2.0
55.05510	3.6
57.03428	5.7
65.03961	0.7
67.05492	9.7
69.03394	0.9
69.07072	1.6
71.20813	0.7
73.09388	0.6
77.03925	0.6
79.05475	6.1
81.03403	5.8
81.03786	0.7
81.07046	14.5
81.07502	1.2
83.04982	2.8
83.08609	1.5
84.11473	0.7
85.02921	1.1
85.06532	0.8
91.05466	5.4
93.07048	7.6
95.04958	4.3
95.08595	8.3
97.06554	0.7
97.10183	1.1
98.22698	1.4
105.07028	5.9
106.06542	6.9
106.07225	0.9
107.04961	5.8
107.08590	3.9
109.06512	3.1
109.10158	1.8
111.04444	2.1
111.08044	0.8
115.05457	1.1
117.07011	3.4
117.24252	0.8
119.04925	1.0
119.08595	2.9
121.06511	1.3
121.10137	2.6
122.06001	1.2
123.04424	0.7
123.08063	2.9
123.11698	0.8
125.09538	0.9
128.06233	1.3
129.07030	1.9
131.08540	3.3
133.06535	2.2
133.10144	1.6
134.06006	5.7
135.08017	1.5
135.11682	4.3
137.13174	0.8
141.06995	2.4
143.08546	1.6
145.06531	4.8
145.10126	2.5
146.06018	1.5
147.08080	1.1
147.11671	1.1
149.02354	0.9
149.13252	1.8
152.07028	1.0
153.92969	0.7
155.08543	1.3
157.06558	1.0
157.10126	1.4
159.08089	1.2
159.11705	3.0
163.06268	1.5
167.08594	1.0
169.10117	3.3
171.04501	0.8
171.08063	1.4
171.11569	0.6
173.05997	0.8
177.12794	2.3
179.08549	0.9
181.10098	1.1
183.08063	1.6
183.11586	0.8
185.09610	1.2
187.11137	3.7
189.09149	1.3
190.08595	1.3
193.05009	0.9
193.10155	1.3
195.08122	1.0
195.13858	0.7
197.09702	0.9
209.09691	1.3
211.11224	0.8
223.13312	1.1
233.15396	0.8
234.11212	8.1
236.07126	0.9
241.14352	2.2
268.09717	1.8
289.17892	1.7
306.00336	0.7
321.18820	1.0
367.19073	2.1
405.88806	0.7
420.11032	0.8
440.24356	2.7
458.25354	100.0
459.25702	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75992	9.6
53.03937	16.3
55.05495	13.6
55.13669	8.8
57.03420	10.3
57.07083	11.5
60.75683	9.6
67.05487	52.5
69.03415	33.4
69.07051	35.3
71.08606	10.2
72.69565	8.2
76.30256	9.8
79.05491	45.4
79.32619	8.1
81.03407	44.4
81.07051	56.0
85.02891	30.3
85.81390	10.2
91.05446	29.2
93.07034	68.5
93.67835	9.3
95.04962	11.3
95.08572	52.8
97.02866	37.7
99.04430	9.9
105.07014	32.2
107.04946	10.2
107.08588	33.1
109.02839	16.9
109.10134	26.5
111.04401	8.7
117.06975	9.1
118.30985	9.3
119.08576	30.2
120.96468	8.0
121.10103	22.9
127.03905	17.2
129.07014	14.5
131.08542	26.4
133.02838	100.0
133.10080	11.2
135.11693	20.1
135.69199	10.1
145.10052	14.7
147.11551	11.7
157.10202	12.9
159.11653	10.1
159.31847	10.5
161.13210	15.0
173.13191	11.3
180.72523	9.6
196.26785	9.3
261.22137	17.4
341.24677	11.9
369.24225	19.2
387.08057	11.0
387.25159	14.4
405.26212	22.0
458.36050	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	458.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01866	11.0
55.05509	7.1
57.03439	6.7
57.07063	12.4
67.05492	47.5
69.03428	25.6
69.07056	8.4
69.20389	20.4
71.04977	4.6
71.08616	5.2
72.53716	4.2
73.02892	5.7
77.31245	3.8
79.05505	23.2
79.85267	3.6
81.03400	29.2
81.07049	36.6
85.02893	7.2
89.60314	3.5
91.05489	14.1
93.07034	28.3
95.04969	6.7
95.08598	35.2
97.02856	34.1
97.10139	3.8
99.04436	51.9
105.07038	9.6
107.08569	14.5
109.02845	26.5
109.10140	17.5
117.06972	3.9
119.08554	9.4
121.10144	14.1
122.14262	4.0
123.11662	6.5
127.03899	55.3
130.32835	3.9
131.08484	6.7
133.02844	13.2
133.10143	7.2
135.11667	8.9
142.05806	3.9
145.04926	12.8
145.10117	6.4
146.98111	24.7
147.11667	6.3
149.13234	6.7
159.11684	4.5
161.13319	4.3
198.73656	3.8
217.08186	4.8
261.22141	9.6
313.27411	11.8
382.40613	4.7
423.27396	7.7
459.24799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.9
56.96561	3.0
57.03412	5.3
60.36170	2.2
61.02934	5.9
69.03410	18.6
70.06573	10.8
72.08141	6.6
72.58935	2.4
73.02896	7.6
81.03409	4.6
82.54219	2.6
85.02903	29.8
88.61612	2.3
91.11269	2.3
94.93005	45.4
97.02877	19.9
97.21103	2.3
98.97581	10.2
108.77799	2.2
109.02878	4.2
112.89601	3.0
115.03912	8.3
116.07061	14.1
116.98569	4.2
118.08661	4.9
119.01875	3.2
121.48029	2.6
127.03906	13.3
128.98611	3.0
132.03394	3.0
133.12624	2.5
136.93987	3.6
137.05972	5.1
138.03435	3.4
143.01929	3.5
145.03426	6.7
145.04965	6.2
153.03931	3.0
155.01866	5.2
158.99593	4.9
159.03928	7.7
165.03802	2.7
173.02943	4.9
174.04495	10.4
177.00716	3.7
182.94554	100.0
183.05013	4.6
185.03001	6.7
189.00754	3.6
197.02931	3.8
203.03998	3.6
206.88565	5.7
219.01691	3.3
221.05083	6.1
231.06026	24.9
231.56163	5.2
237.02696	4.7
240.06537	22.9
240.56685	6.9
240.95102	3.8
242.95837	4.2
244.04250	2.7
245.05095	7.7
248.89645	43.7
256.98312	4.2
257.05084	5.1
269.05008	4.8
287.06064	13.4
288.07495	4.9
297.08344	3.6
314.98944	5.5
315.04617	4.3
317.07104	28.1
318.07526	2.9
321.09229	5.4
321.59653	2.9
325.30783	2.4
331.03516	5.1
352.94604	8.7
359.08099	15.1
373.13428	2.5
458.83221	3.3
459.09436	2.3
459.12680	2.7
460.07761	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	459.154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.9
59.74794	0.2
59.75089	0.2
69.03404	0.4
70.04929	0.6
70.06573	0.3
71.04981	6.4
72.08129	0.2
73.59059	0.2
75.04489	0.3
76.67776	0.2
83.04972	0.7
83.06104	1.3
84.91167	0.2
85.02889	9.3
86.09725	0.2
97.02890	0.5
97.03983	0.5
108.27401	0.2
111.05546	17.2
127.03859	0.3
129.05460	2.8
134.06032	0.3
138.06598	100.0
139.06943	1.3
147.04439	0.3
147.06512	2.1
160.04262	0.9
164.09203	0.6
176.06943	0.3
192.06549	0.4
213.15211	0.2
216.03699	0.3
216.52344	0.2
234.44278	0.2
234.71384	0.3
274.09207	0.3
297.10101	40.2
298.10385	1.1
459.15176	2.7
460.14575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61265	0.7
53.03946	0.8
53.19600	0.8
53.39366	0.6
54.12955	0.6
55.05499	1.7
57.03431	9.9
59.05004	0.8
61.02934	1.7
63.04514	0.7
69.03435	1.6
70.06578	1.4
70.93318	0.8
71.01361	0.8
71.04987	68.4
73.02908	2.4
75.04477	5.3
75.30902	0.7
77.11060	0.7
81.03438	0.6
83.04974	5.4
85.02897	100.0
86.03217	1.1
87.04456	2.3
97.02885	3.0
99.04460	1.3
101.06046	1.1
103.03941	1.0
106.06554	3.3
107.06886	1.9
111.04440	3.7
111.05569	1.5
115.13250	0.9
127.03914	2.9
129.05466	40.3
134.05991	2.6
135.06352	1.3
138.06622	8.0
142.55438	0.8
145.04953	3.5
146.08116	1.2
147.06512	22.2
148.06795	0.7
152.07014	0.8
164.09244	5.3
176.07042	2.0
181.12239	0.7
255.08664	1.0
274.62936	0.7
296.11362	1.2
297.11530	2.4
309.11905	0.7
413.96597	0.8
459.13147	1.3
459.18109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26066	0.8
53.03939	0.9
55.01865	1.3
55.05496	2.5
56.53873	0.8
57.03427	8.8
61.02909	3.2
64.87482	0.9
69.03429	7.2
70.06602	1.9
70.77491	1.7
71.04984	58.3
72.08137	3.9
73.02889	2.2
75.04460	3.9
81.03403	1.9
83.04966	13.1
84.04453	1.4
85.02894	100.0
86.09694	10.0
87.04440	3.0
91.03950	1.1
91.05450	1.1
95.34187	0.8
97.02873	11.6
99.04437	2.9
101.06004	0.9
103.03956	2.4
106.06499	2.5
107.04960	6.3
109.02869	2.9
111.04433	7.9
127.03885	9.2
128.07114	1.0
129.05464	29.1
134.05998	20.9
145.04938	15.6
146.08070	1.6
147.06503	15.3
163.05966	5.0
164.09152	3.9
166.08569	1.1
176.07042	9.2
185.16367	1.6
189.61922	0.9
218.07976	0.9
237.07468	1.3
247.12827	1.7
255.08495	2.5
273.09653	1.6
280.11789	11.5
296.11258	8.9
459.18042	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01861	1.5
55.05511	6.6
57.03431	1.7
57.07049	1.2
59.74536	1.0
61.21970	0.9
67.05494	9.1
69.03414	9.4
69.07054	5.7
71.05000	1.5
73.02894	1.6
74.06037	1.1
79.05472	3.0
81.03405	3.9
81.07052	10.7
83.04966	3.9
83.08615	4.6
85.02895	14.8
85.06516	1.6
86.09693	1.8
87.00819	6.1
91.05444	2.7
93.07026	7.6
95.04981	1.5
95.08607	17.8
97.02869	3.4
97.06529	2.3
97.10155	1.9
98.22631	2.6
99.04440	2.1
101.78648	1.0
103.05550	1.1
105.01846	5.8
105.07011	4.7
107.08585	10.2
109.02863	4.6
109.06503	3.8
109.10143	31.2
109.10889	2.0
111.08059	11.3
113.09632	1.7
117.06999	1.5
119.08568	16.9
121.10127	8.1
123.08057	11.8
123.11662	6.1
125.09630	1.9
127.03910	8.1
133.10115	16.5
135.11678	21.5
137.05960	2.5
137.09596	27.0
137.13208	1.4
138.10330	3.5
145.04881	1.1
145.10091	2.0
147.11668	2.8
149.13226	5.3
151.11130	2.2
151.14796	3.2
156.14697	1.1
159.02861	1.1
165.09138	2.2
165.12752	3.0
165.16284	0.9
175.14795	26.2
177.09007	1.1
187.07516	1.1
193.15857	22.9
202.09129	1.0
204.19714	1.0
211.16901	100.0
212.17203	2.8
221.35933	1.0
222.54074	1.0
231.04929	1.7
459.25851	1.7
460.60251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.6
55.05508	9.8
56.45657	1.9
57.03413	1.9
57.07069	3.7
67.05496	17.4
69.03416	14.1
69.07066	16.0
69.22281	13.9
71.05004	5.0
79.05484	5.1
81.03416	6.0
81.07054	22.0
83.04957	6.4
83.08604	8.2
83.84028	1.9
85.02905	10.6
85.06560	3.1
87.00819	5.8
91.05453	5.8
93.07040	12.3
95.08594	37.5
97.02866	4.8
97.10159	2.5
99.08083	7.8
100.11274	2.1
105.01876	2.3
105.07014	9.4
107.08576	24.4
109.02852	4.1
109.06510	8.2
109.10146	98.2
111.08047	4.2
119.08572	43.7
121.10152	14.6
122.29662	2.3
123.08048	7.8
123.11707	6.2
127.03921	4.2
133.10107	25.8
135.11676	100.0
137.06000	4.5
137.09584	17.5
149.13232	4.1
151.11200	9.6
151.14809	9.3
153.12755	4.2
159.02783	2.5
165.16418	3.3
175.14781	52.2
175.16158	4.2
193.15855	59.3
193.17532	4.1
211.16898	66.8
225.29874	2.2
459.21393	4.7
459.29483	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	459.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01848	10.6
55.05256	4.4
55.05500	60.8
60.86968	2.2
65.03926	5.0
67.05486	49.2
67.05818	4.4
69.03411	6.2
69.07049	17.0
70.62225	2.3
77.14523	2.3
79.05476	48.9
81.03376	2.8
81.07043	40.1
81.73808	2.3
83.04967	5.0
83.08602	27.7
91.05463	41.2
93.07018	28.7
95.04950	9.6
95.08576	12.3
97.06506	3.9
97.10150	48.0
99.76237	2.4
103.05457	22.4
105.07024	36.4
107.04952	6.8
107.08566	25.3
109.06479	6.0
109.10150	10.8
111.08080	3.9
115.05443	9.7
117.06996	68.6
119.08579	19.5
121.06469	6.3
121.10118	5.1
123.08041	4.5
125.09610	41.0
128.06206	7.7
129.06975	30.0
131.04874	6.2
131.08543	42.2
133.06473	8.3
133.10138	7.0
135.08008	12.3
137.09621	2.4
141.06935	12.5
143.08537	18.5
143.10686	2.8
145.06438	16.9
145.10115	15.1
147.08057	5.7
149.09570	7.2
153.09090	5.4
155.08525	21.1
156.09294	3.7
157.06483	3.5
157.10095	8.3
159.07994	4.7
159.11696	4.5
165.09120	3.2
167.08519	6.3
169.10110	14.8
171.07965	4.1
171.10202	5.1
171.11661	6.3
173.09625	4.8
181.10110	4.7
183.08015	3.0
183.11635	5.7
185.13239	4.9
187.14729	17.2
189.11201	34.7
189.12773	3.0
195.11687	8.0
197.13191	22.1
199.11153	2.7
213.12759	8.0
215.14276	100.0
216.14497	2.9
227.12683	33.9
233.15358	3.0
241.12184	4.8
245.13788	3.7
271.16980	9.3
273.14719	3.3
321.21902	4.8
325.39716	2.7
339.23190	6.3
349.21567	16.4
366.24469	2.7
367.22638	38.4
385.23615	23.1
403.24783	6.8
423.25067	4.1
431.28174	3.2
441.26315	60.5
442.26273	3.7
459.27316	86.9
460.27713	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	459.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.3
56.05022	2.0
57.86546	0.4
64.47440	0.3
67.05493	1.6
67.43072	0.3
69.03407	0.8
69.07060	6.5
70.06586	0.3
74.06067	5.2
79.05495	0.4
81.03401	1.4
81.07040	1.7
83.12247	0.3
85.02889	0.9
85.12617	0.4
86.09694	100.0
87.10020	1.4
91.05479	0.7
93.07024	0.6
95.08588	1.0
97.02888	0.9
97.06515	0.6
98.06039	1.0
101.62005	0.3
105.06978	0.5
107.08601	0.6
109.02863	1.1
109.06501	0.4
109.10146	2.6
111.04405	0.4
115.03930	0.4
116.07078	0.5
119.08591	0.8
120.00583	0.3
121.10135	0.7
126.05506	5.7
127.03902	0.6
131.08461	0.3
132.10187	5.7
133.10086	0.6
137.05911	0.3
137.09598	4.9
138.09061	0.4
144.06546	0.8
155.10678	0.4
157.13347	3.3
163.03906	0.8
165.09116	4.6
183.10168	0.4
185.12851	3.7
195.11328	1.2
201.11230	0.9
203.13907	6.8
211.14362	0.8
239.13869	20.3
240.14302	0.6
257.14914	13.0
258.15167	0.4
277.11484	0.3
300.19177	0.7
309.13312	0.8
310.17130	0.4
316.22336	0.6
317.08466	0.4
328.18619	4.4
369.58313	0.4
459.21463	2.8
460.32336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.7
56.13216	0.5
57.07058	1.2
67.05506	6.5
69.03423	1.0
69.07068	12.3
69.92316	1.1
79.05482	2.5
81.07053	11.7
83.04975	1.1
83.08605	2.4
85.26308	0.6
91.05464	1.9
93.07033	4.5
95.04958	0.8
95.08601	5.9
97.06516	1.4
97.10112	0.6
99.08080	0.7
105.07021	1.7
107.08586	4.4
109.06476	0.9
109.10147	7.9
111.11700	2.6
115.05717	0.7
118.51852	0.5
119.08588	3.5
121.06472	0.7
121.10145	3.4
122.07267	2.1
123.08047	1.2
123.11689	6.2
132.76192	0.6
135.08078	1.7
135.11679	3.5
136.08957	0.5
137.09602	11.4
145.10110	0.8
147.11674	1.2
149.09613	2.4
151.07536	6.7
153.12740	2.1
163.11159	1.6
165.09108	100.0
166.09416	2.8
170.37544	0.6
173.09648	1.2
174.10204	0.6
175.07388	0.6
175.11253	1.1
176.08261	0.6
177.09077	1.8
187.11313	0.6
187.13263	0.7
189.09042	1.3
190.10062	0.7
191.10667	10.3
199.11227	1.2
203.10683	3.8
205.12212	6.9
219.13654	0.7
243.06023	0.6
265.26819	0.6
297.18524	1.1
301.14053	4.5
312.01993	0.6
315.19476	0.8
338.92667	0.7
343.22455	0.6
347.82120	0.6
441.33868	0.9
459.23871	0.7
459.29205	1.0
459.34598	2.6
469.31174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95871	0.2
55.05492	0.3
57.03434	1.1
59.18138	0.2
60.04511	0.2
61.02915	0.3
69.03399	0.7
70.02937	0.4
70.24190	0.3
71.01338	0.2
71.04981	5.0
72.08121	0.2
73.02872	0.3
75.04465	0.5
77.03910	0.4
79.05479	7.6
79.05933	0.4
81.03384	0.4
81.07060	1.2
83.04971	0.5
84.08157	0.2
84.35922	0.2
85.02892	9.1
86.09682	0.3
87.04429	0.4
89.03902	0.2
91.05466	2.3
95.04932	1.2
97.02847	0.8
99.04427	0.3
105.04512	0.4
106.06538	11.8
107.04938	19.4
108.05238	0.2
109.02881	0.2
109.06499	2.0
111.04459	0.3
118.06532	0.2
122.05996	0.3
124.07569	1.3
127.03938	0.3
129.05484	1.0
129.10225	0.2
134.05995	10.3
135.04393	10.6
136.07530	0.3
145.04941	0.3
147.06548	0.3
152.07039	100.0
153.05466	0.4
153.07396	2.2
156.63596	0.2
164.07100	0.2
176.07063	0.2
187.72079	0.2
194.08086	2.6
280.11874	0.3
296.11288	1.9
298.12854	3.0
314.12280	10.3
315.12717	0.3
321.29434	0.2
442.16940	0.6
455.59189	0.2
460.18082	9.1
461.18399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03731	0.8
53.03941	9.2
55.01870	9.0
55.05508	0.8
57.03429	7.4
60.04508	1.4
61.02909	6.1
65.03905	1.0
68.99788	3.3
69.03419	32.3
69.34046	3.6
71.01341	1.5
71.04674	0.7
71.04981	6.6
73.02908	8.7
79.05463	1.2
80.04972	1.5
81.03407	35.9
83.01325	0.9
84.04506	1.4
85.02893	85.9
86.03211	0.9
87.00816	36.9
87.04435	1.5
91.03915	2.7
91.05482	1.5
93.07070	1.0
94.90560	0.7
95.04954	1.2
95.08530	0.7
97.02881	34.0
98.06007	1.3
99.04443	16.2
101.02391	0.8
102.05547	0.8
103.03941	0.7
103.05461	7.3
105.01852	29.7
105.07000	2.1
107.04936	10.2
107.08553	1.1
108.04462	10.6
109.02863	34.9
109.10158	0.9
112.35196	0.8
115.03890	1.1
115.05457	1.2
117.01836	4.1
117.07037	0.9
120.05746	0.9
126.05508	5.9
127.03899	60.6
128.04184	1.0
129.01825	4.6
130.04967	0.9
131.04886	1.6
135.08025	8.5
139.03871	5.9
145.04936	28.4
147.02849	3.7
154.06227	36.3
159.01588	1.5
159.02861	21.1
163.07509	30.2
165.09117	1.2
167.06952	1.9
177.03951	1.2
180.07793	1.3
189.03952	1.4
193.08565	0.9
195.10133	100.0
196.10451	2.0
212.05484	1.2
213.03899	2.9
230.01878	1.6
230.06532	2.2
231.02730	1.4
231.04886	10.2
248.07678	5.5
249.06047	1.4
266.08499	0.8
281.25378	0.7
285.11188	1.1
299.05536	0.8
303.12234	1.5
393.07819	3.2
448.57114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01841	0.2
55.05489	0.5
56.43651	0.3
57.03409	1.0
62.06062	0.8
64.54050	0.2
65.03891	0.3
69.03397	1.1
70.02919	0.5
70.06590	0.5
70.31875	0.2
71.04981	6.4
72.08130	0.7
73.02888	0.7
75.04456	0.4
79.05485	7.4
81.03413	0.5
81.07025	1.0
83.04934	0.7
83.72808	0.2
84.04494	0.3
84.08119	0.6
85.02412	0.5
85.02895	9.1
86.09676	0.6
87.04443	0.4
89.80980	0.2
90.15275	0.2
91.05476	1.6
95.04944	1.3
97.02861	1.1
105.04456	0.6
106.06542	10.7
106.24432	0.2
107.04942	18.3
108.05255	0.5
109.06483	2.1
111.04398	0.4
115.24960	0.2
118.06506	0.5
122.05946	0.3
124.07559	0.9
127.03893	0.7
129.05473	1.3
129.10197	0.5
134.06003	9.3
134.99312	0.4
135.04402	10.6
136.07515	0.4
137.07945	0.2
138.06534	0.4
145.04913	0.3
147.04489	0.3
147.06506	0.8
148.11235	0.4
152.07045	100.0
153.05464	0.5
153.07390	2.9
158.29317	0.3
163.03789	0.2
166.12267	0.3
176.07045	0.3
192.06584	0.3
194.08119	2.4
228.27087	0.3
278.10019	0.3
296.11209	2.4
298.12866	2.8
314.12314	11.0
315.12561	0.5
372.01669	0.2
442.16754	0.4
460.18164	9.2
461.12042	0.7
461.17160	1.1
475.73367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.4
57.03433	13.6
60.74287	2.1
61.02924	6.6
69.03410	16.4
70.06574	4.3
71.04978	20.1
72.08149	4.2
73.02908	31.9
74.43543	2.1
75.22051	1.9
79.05486	9.5
81.03421	3.2
82.54416	2.2
84.04507	3.4
84.08138	10.5
85.02896	48.4
86.09701	9.4
87.04488	4.3
89.05453	3.6
89.06019	75.7
91.05458	2.6
95.20844	1.9
97.02876	29.6
99.04442	12.9
106.06545	12.8
107.04938	22.6
109.02858	3.1
109.06528	3.1
115.03918	14.7
117.05498	4.4
127.03911	14.7
129.10231	10.5
131.06972	10.7
133.04964	19.0
134.06018	9.7
135.04378	10.7
137.05998	9.7
145.04904	17.2
149.08075	91.4
152.07048	100.0
163.06084	4.3
176.07118	2.5
194.08246	2.7
202.17001	2.2
216.13498	2.1
259.08173	6.0
280.11850	3.5
295.10205	3.2
298.12906	8.4
305.16275	2.5
314.12329	13.2
425.71158	2.5
438.02487	2.2
460.18317	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	460.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
61.02912	0.9
67.05470	0.9
69.03414	2.0
70.06593	0.9
72.08151	1.9
81.03421	1.5
81.07060	1.1
84.08098	0.8
85.02906	5.0
86.09687	1.6
87.38079	0.8
93.07021	1.4
95.04961	1.9
95.08607	5.5
97.02888	2.3
97.06512	3.0
104.51774	0.8
105.07050	0.8
107.04979	1.1
109.02869	1.2
111.04440	1.7
121.02859	20.7
121.03757	1.5
121.06484	0.9
123.04367	4.1
123.08051	58.2
127.03902	1.0
131.08549	0.9
133.02855	1.9
135.08054	1.3
137.05923	1.7
138.09071	1.0
139.03874	2.8
145.04979	1.1
146.05980	7.9
147.08040	1.6
149.05968	1.2
159.08043	1.4
159.11618	0.9
165.09093	100.0
166.08499	1.5
167.07016	1.3
175.11218	1.2
177.05482	0.8
179.03365	10.7
187.11220	1.0
199.11095	2.1
203.10730	1.4
204.07440	1.3
205.04715	1.2
205.08586	0.9
215.10620	1.7
227.10692	0.9
233.11743	2.4
245.11710	1.2
252.67435	0.8
263.12759	22.6
265.07031	1.6
299.13846	2.5
413.02936	0.8
460.12177	1.0
460.17603	4.0
461.09848	9.8
461.19626	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	460.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
61.02912	0.9
67.05470	0.9
69.03414	2.0
70.06593	0.9
72.08151	1.9
81.03421	1.5
81.07060	1.1
84.08098	0.8
85.02906	5.0
86.09687	1.6
87.38079	0.8
93.07021	1.4
95.04961	1.9
95.08607	5.5
97.02888	2.3
97.06512	3.0
104.51774	0.8
105.07050	0.8
107.04979	1.1
109.02869	1.2
111.04440	1.7
121.02859	20.7
121.03757	1.5
121.06484	0.9
123.04367	4.1
123.08051	58.2
127.03902	1.0
131.08549	0.9
133.02855	1.9
135.08054	1.3
137.05923	1.7
138.09071	1.0
139.03874	2.8
145.04979	1.1
146.05980	7.9
147.08040	1.6
149.05968	1.2
159.08043	1.4
159.11618	0.9
165.09093	100.0
166.08499	1.5
167.07016	1.3
175.11218	1.2
177.05482	0.8
179.03365	10.7
187.11220	1.0
199.11095	2.1
203.10730	1.4
204.07440	1.3
205.04715	1.2
205.08586	0.9
215.10620	1.7
227.10692	0.9
233.11743	2.4
245.11710	1.2
252.67435	0.8
263.12759	22.6
265.07031	1.6
299.13846	2.5
413.02936	0.8
460.12177	1.0
460.17603	4.0
461.09848	9.8
461.19626	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	460.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38123	0.6
55.01860	3.1
55.05506	0.9
57.03431	10.0
59.04993	47.5
60.82556	0.6
61.02920	6.3
68.22191	0.6
69.03421	14.1
69.15469	3.3
70.06602	1.1
71.01346	1.2
72.08147	2.4
73.02483	1.0
73.02905	26.6
73.06544	100.0
74.06891	1.5
76.62115	0.7
79.05496	0.7
81.03407	2.0
84.08128	1.3
85.02891	31.0
86.09689	5.1
87.04452	1.5
97.02252	1.5
97.02878	24.7
99.04471	1.4
99.08101	0.8
103.03898	0.9
103.07550	1.7
104.07922	1.5
106.06532	1.9
107.06897	1.0
109.02856	2.8
115.03915	8.7
117.09113	10.1
127.03898	9.0
129.10245	1.4
131.10664	11.7
133.02808	1.1
133.04944	9.9
144.52733	0.7
145.04939	9.4
147.04410	1.2
148.06059	0.7
149.11708	86.9
150.12056	2.1
152.07053	2.2
163.06039	3.5
166.08676	0.8
209.06065	0.7
223.06033	1.6
237.05388	1.2
241.07063	1.9
249.05569	1.9
259.08167	3.0
265.04962	0.8
267.06586	2.3
277.09091	0.9
291.47809	0.7
298.11377	0.6
402.09415	1.2
408.55936	0.7
419.35428	0.8
460.19482	1.1
461.11899	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51332	1.2
52.52205	1.1
52.97986	1.1
56.59970	1.1
85.02913	1.4
89.23962	1.2
91.05796	1.7
98.97584	2.0
110.81482	1.0
110.97563	1.2
127.03807	1.2
131.04218	1.2
146.65950	1.1
151.95406	1.1
181.61139	1.2
219.01726	1.3
237.02760	2.3
239.04927	3.3
296.06665	1.8
300.11966	1.2
315.03812	1.9
332.49875	1.3
351.02332	1.4
359.02768	1.4
461.06833	100.0
461.12338	6.2
462.07123	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	461.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49280	1.3
58.22857	1.2
69.03425	1.4
69.41908	5.3
70.06548	1.3
71.04938	1.6
72.08152	7.7
75.94063	1.6
84.04471	3.5
84.08109	3.6
85.02853	5.0
86.09695	12.4
89.94003	1.5
90.21313	1.3
97.02808	1.6
98.22744	2.6
98.97514	2.1
102.05513	1.6
106.06524	1.4
107.04935	2.0
116.04940	2.7
127.03842	1.6
129.10149	1.7
138.06575	2.4
145.04916	1.3
146.06013	6.5
152.07007	1.8
153.05374	1.6
163.03793	1.5
166.08635	6.3
173.12784	2.3
178.63098	1.3
185.55861	1.3
201.12149	1.5
222.11086	1.3
243.13242	1.5
247.12769	2.0
299.07050	4.0
335.09354	2.4
359.02325	2.1
401.10294	2.8
461.10706	100.0
462.11151	6.5
482.52484	1.3
486.39725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1055
Annotation	Tenuecyclamide B
Peak:m/z	Relative Intensity
61.25146	1.2
70.06573	2.7
71.40778	1.8
72.08135	4.0
73.02902	1.4
73.20866	1.1
84.04469	1.6
84.08134	1.2
85.02885	1.9
86.09695	12.0
91.05791	2.2
107.04937	1.7
111.22627	1.2
129.10196	1.8
146.05951	3.5
149.11749	1.9
155.03273	1.5
166.08565	2.5
170.05737	4.8
177.05354	1.7
191.03302	1.2
278.88644	1.2
359.02783	1.8
388.59497	1.2
401.10577	1.7
461.11185	100.0
462.11478	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04959	0.4
60.34704	0.4
65.09460	0.3
69.03409	0.6
69.07046	0.6
70.87645	0.7
72.08133	0.9
73.04784	0.4
84.04461	0.4
85.02889	0.8
86.09695	1.6
88.61687	0.3
91.05804	0.9
97.02879	0.5
121.02917	0.4
123.04405	0.5
135.20258	0.3
140.07014	0.4
146.05959	2.9
152.32085	0.3
155.03209	0.4
163.03879	0.5
166.08585	1.8
168.06544	1.4
170.05803	0.4
179.03285	0.5
185.04236	0.4
186.98143	0.4
189.40475	0.3
203.14473	0.3
299.07440	0.4
317.08319	1.5
329.08359	1.6
359.02820	0.7
359.09430	0.5
401.10422	2.5
461.12518	100.0
462.12723	5.6
462.18384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44240	0.4
59.04993	1.0
69.03422	0.5
70.06548	0.4
70.43787	0.8
72.08136	0.4
73.06538	0.8
85.02914	0.9
86.09697	0.7
86.33678	0.4
88.96044	0.4
94.95608	0.4
97.54175	0.4
113.70632	0.4
115.92900	0.4
140.07129	0.5
145.04903	0.5
146.06021	1.1
149.11745	0.6
155.03232	0.4
163.03917	0.5
166.08673	0.7
168.06503	1.1
170.05679	0.5
185.04228	0.7
317.08508	1.0
329.08432	1.6
359.09348	0.6
399.95859	0.4
401.10406	3.2
461.12564	100.0
462.12985	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
58.63546	0.5
67.05490	0.8
69.03413	2.3
69.58550	0.9
69.58896	2.1
73.02920	1.0
77.48975	0.6
81.03416	1.2
81.07057	0.7
85.02892	3.1
86.09687	1.4
87.00832	0.8
91.05425	1.0
93.07040	1.6
95.04988	0.8
97.02848	1.5
105.07019	0.7
107.04921	1.3
109.02880	1.2
110.76799	0.6
115.03870	1.0
121.10135	1.1
123.04420	0.6
127.03895	1.0
133.25903	0.6
137.05946	2.0
145.04916	0.9
147.04381	0.6
149.09598	1.1
151.07545	1.3
161.05930	0.7
177.05510	0.7
179.06982	1.1
205.04854	0.7
207.06566	0.9
213.07303	45.2
214.07744	0.9
225.09155	0.9
253.08647	2.1
263.06931	1.1
271.04214	3.7
281.08087	1.3
299.08939	1.2
375.12546	3.2
417.13617	32.3
418.13931	1.9
443.50180	0.6
461.12622	100.0
461.19019	5.0
462.12845	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	461.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01875	1.6
55.05497	2.6
60.04500	1.1
63.06538	0.7
67.05495	2.4
69.03421	4.4
69.07068	3.6
70.03734	0.8
70.06586	1.0
71.04970	1.1
71.44309	0.6
73.02891	1.6
79.05479	1.7
79.38786	0.7
81.03410	3.0
81.07037	5.0
82.03684	0.7
83.04956	1.4
84.04491	0.8
85.02884	8.3
85.06539	1.1
86.03222	1.0
87.00815	2.8
90.38395	0.5
91.05451	1.3
93.07031	3.5
95.04958	1.5
95.08598	4.5
97.02859	3.9
97.10162	0.9
99.04452	1.9
99.08093	0.8
100.11233	0.9
103.05434	0.8
105.01878	1.8
105.07018	1.9
107.08559	3.3
109.02861	2.2
109.10121	2.1
110.03226	0.8
115.03923	0.8
119.08598	1.6
121.06516	0.9
121.10106	2.2
123.11671	1.2
127.03876	3.5
128.04250	1.5
130.05046	0.8
131.08499	0.7
133.10107	2.5
135.08073	1.5
135.11694	0.9
137.06007	1.4
139.11125	0.9
145.04944	1.7
145.10121	0.9
146.05247	0.9
149.09634	0.8
149.13223	0.7
154.06255	2.0
155.06584	0.8
157.10095	0.8
159.02905	0.8
159.08192	0.7
161.09689	0.7
163.07503	1.5
163.14809	0.8
165.09096	1.9
177.16327	1.1
182.15376	0.9
185.04181	6.2
195.10175	4.1
196.10490	2.6
210.14824	0.8
229.01010	0.8
230.01826	33.2
231.02603	38.0
232.03053	0.9
248.03113	0.9
249.03836	1.1
253.10388	1.2
272.05106	0.8
281.24704	1.3
299.05508	8.7
299.08841	1.1
299.13171	0.7
299.25876	0.8
317.08282	1.1
359.02704	1.0
392.07089	9.0
392.64905	0.6
393.07855	100.0
394.08270	3.0
461.14093	10.0
461.20026	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	461.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	31.9
59.04972	7.0
60.04507	5.8
61.02916	5.3
69.03418	100.0
69.03799	4.8
69.87349	2.4
70.02953	2.6
70.15215	5.8
70.15546	3.4
71.04985	7.2
72.08142	11.2
73.02901	5.7
73.04731	3.0
75.04457	3.1
84.04501	9.3
84.08131	3.1
85.02888	80.6
86.03284	2.7
86.09696	11.9
87.04035	1.7
87.04455	73.8
88.03989	7.7
91.05788	7.3
97.02882	82.8
97.03487	5.8
102.05521	8.3
107.04932	3.9
111.05567	6.9
114.05534	3.5
115.03910	86.0
119.04922	3.5
121.01109	7.2
122.05991	7.6
123.04398	42.9
127.03884	7.9
127.12322	2.8
129.10194	3.2
132.10223	2.8
133.04945	92.5
138.06599	53.4
139.06941	6.3
140.07018	3.5
145.02768	4.7
145.04951	10.0
146.06079	4.7
147.04395	6.3
149.00523	14.9
150.05548	21.9
150.07568	30.5
151.03912	6.8
152.07037	5.2
163.03928	3.9
163.06030	2.9
165.00082	3.8
165.05464	5.8
168.06586	6.5
174.05493	4.5
177.05495	15.7
179.03271	3.0
186.05490	3.9
187.99409	2.5
192.06535	65.3
195.01070	35.9
212.73990	2.5
228.06648	3.3
282.09665	93.9
283.10120	5.2
297.10245	6.0
299.09927	15.9
300.05286	11.4
312.10776	6.4
329.12497	3.7
349.65753	2.7
354.11710	6.1
359.03082	4.2
379.64984	2.8
429.09454	5.7
444.14871	37.5
461.11020	11.4
461.17200	24.7
462.21661	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88047	0.5
67.05499	0.5
70.05843	0.5
70.06169	1.0
71.04971	1.1
85.06536	0.5
86.09704	1.2
87.44648	0.5
91.05831	0.4
93.07021	0.6
95.04981	0.6
97.02888	0.7
100.11242	1.1
103.05449	1.1
105.07034	0.5
119.08575	0.5
121.02856	0.7
127.07536	0.7
131.04926	1.3
133.09142	0.5
137.05980	2.1
140.50690	0.4
145.08585	4.2
147.04404	0.8
148.62137	0.4
151.03760	0.6
151.07521	1.1
167.07053	0.8
181.04948	2.0
182.15372	0.5
183.05476	0.7
189.05252	2.7
203.06889	1.0
219.06252	6.6
220.06772	0.5
234.08594	35.5
235.09267	2.3
247.09518	0.6
249.07420	0.7
351.37354	0.4
413.15652	0.8
431.16675	0.6
438.01703	0.5
461.17773	100.0
462.18076	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	461.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03429	3.1
61.02906	2.6
67.05498	0.7
69.03418	7.0
69.07047	2.0
69.20657	0.6
71.01331	0.9
71.05016	0.8
72.08138	0.8
73.02907	17.8
81.03407	1.7
84.04486	0.8
85.02888	16.5
86.09673	1.8
87.04443	1.1
89.06001	1.1
91.03965	1.0
95.04959	0.8
97.02878	10.9
99.04414	0.9
105.09127	1.5
109.02857	2.1
115.03921	5.2
127.03899	6.3
133.04935	6.6
145.04953	10.2
150.07603	1.0
151.03918	0.8
163.06009	4.2
204.01479	0.7
222.04869	0.7
223.06000	1.0
241.07043	1.5
259.08157	1.4
329.15616	10.9
417.13492	0.8
425.74698	0.7
461.19855	100.0
462.20148	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	461.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03424	1.2
61.02187	0.3
61.02906	1.1
62.29052	0.4
69.03421	2.1
69.07053	0.9
70.59565	0.4
71.04969	0.7
72.08128	0.3
73.02905	6.9
73.56481	0.3
81.03373	0.6
81.07055	0.5
85.02888	6.7
86.09695	0.8
87.04433	0.7
89.06020	1.0
91.03944	0.4
95.08607	0.4
97.02880	3.4
99.04437	0.6
105.09138	0.6
109.02917	0.8
115.03919	2.8
121.10138	1.1
127.03879	2.1
133.04927	2.0
145.04933	3.7
150.07594	0.7
163.06046	1.3
167.10686	0.6
175.47180	0.4
190.87941	0.3
223.06032	0.6
232.12808	0.4
241.07112	0.4
246.00539	0.4
259.08041	0.5
284.64786	0.4
329.11935	0.4
329.15619	10.9
330.15912	0.4
451.80246	0.4
461.19855	100.0
462.20148	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	461.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92787	0.6
55.05510	1.2
55.65469	0.5
59.13120	0.6
59.85245	0.7
60.04506	2.2
67.05482	1.9
69.23741	2.8
69.24143	1.1
72.08118	0.7
77.14265	0.6
78.10000	0.6
79.05483	2.3
81.07047	2.4
93.07028	2.2
94.06590	0.6
95.04951	1.3
95.08595	1.6
98.23416	1.3
105.07021	1.1
107.04942	0.7
107.08558	1.3
109.10135	1.3
119.08543	1.1
120.08128	1.3
121.06561	0.6
121.10126	1.2
123.11752	0.7
124.33741	0.6
133.10066	0.9
137.09650	0.8
138.09081	1.0
145.10150	0.7
154.59003	0.6
165.09088	2.0
166.09430	1.0
169.04739	0.7
213.14569	8.5
222.39282	0.7
229.15727	0.6
238.42947	0.6
241.14084	6.6
299.08966	1.5
309.55331	0.7
341.18991	0.7
342.32242	0.7
357.18933	2.0
357.65891	0.6
375.19836	21.6
375.24591	1.1
376.20157	0.8
393.56564	0.7
417.20898	57.0
418.21191	2.5
442.31500	0.8
443.31836	1.6
460.32578	1.1
461.19879	100.0
462.20197	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	461.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.9
67.05499	6.4
67.19208	4.5
69.03416	10.2
69.07071	7.2
70.74135	5.3
71.04970	5.4
79.05476	7.1
81.07052	16.3
83.08637	5.8
84.04483	6.5
85.02900	11.4
86.09709	12.4
91.05493	4.7
93.07024	12.3
95.08602	28.0
97.10150	6.7
99.08078	9.7
105.07024	7.0
107.08575	23.9
109.10158	9.7
111.07972	5.1
121.10117	42.9
125.09614	4.6
131.04831	5.7
133.10011	6.0
135.11678	11.5
135.41135	4.3
167.07010	5.2
177.16356	100.0
181.04988	4.7
195.17378	23.0
213.18457	37.6
315.02084	4.6
461.16321	7.3
469.91348	4.2
474.92554	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27679	11.9
55.05508	45.0
67.05486	100.0
69.07057	34.8
69.68545	14.0
69.68907	42.8
75.84107	12.7
79.05492	92.9
81.07050	89.7
83.08611	26.2
91.05444	92.4
93.07037	75.6
95.04984	23.0
95.07997	11.3
95.08573	58.0
97.06507	13.8
100.33114	11.0
100.49760	10.9
105.07008	78.4
107.04939	13.6
107.08582	20.4
109.10151	24.1
117.07047	61.2
119.08572	50.8
121.06544	21.3
121.10117	25.9
128.06261	12.6
129.06982	73.5
131.08563	84.9
133.06462	22.5
133.10077	29.5
140.01450	11.7
141.06973	23.2
143.08572	57.7
145.10104	28.8
147.07994	15.2
147.11720	15.4
155.08551	40.1
157.10110	48.6
159.11690	21.0
160.64780	11.6
167.08565	26.9
169.10088	27.2
171.11705	21.3
181.10123	26.4
183.11691	15.3
195.11707	29.9
215.14354	18.6
233.98564	13.3
235.56491	12.7
239.14310	17.2
341.24683	21.7
343.89883	13.7
351.23264	62.9
369.24091	65.9
387.25427	15.7
443.27911	52.3
461.28738	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	461.3621
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
53.03953	2.1
55.05501	12.2
57.07068	19.1
59.05001	2.9
60.61292	1.3
65.03954	1.4
67.05504	14.3
69.07050	16.7
69.95678	2.2
69.96041	3.7
71.08620	24.4
79.05480	12.0
81.07047	100.0
82.07403	1.5
83.04972	4.8
83.08620	5.0
85.10169	9.0
86.09693	1.6
87.83968	1.3
89.57307	1.3
91.05467	7.0
93.07026	16.6
95.04959	2.2
95.08595	49.9
97.10174	3.9
97.38032	1.5
99.04471	2.0
99.08060	8.5
105.07020	7.9
107.08598	11.1
109.06506	4.3
109.10159	10.4
111.08098	1.5
111.11746	4.2
113.09628	1.8
117.07013	1.7
119.08607	8.8
121.06499	6.2
121.10119	13.6
123.08061	6.2
123.11699	7.4
125.05988	4.0
127.07542	7.2
128.07118	1.5
131.08557	3.5
133.10088	6.8
135.08035	10.0
135.11673	6.7
137.06010	2.1
137.09612	4.4
137.13214	18.6
139.07542	17.3
143.08545	2.6
145.10124	5.5
147.11700	5.5
149.09619	6.3
149.13284	3.1
151.07564	5.9
153.09122	4.0
155.14290	5.0
157.10117	5.4
159.11693	6.1
161.09636	6.0
161.13263	5.8
163.07567	5.0
165.09105	18.1
169.08722	2.4
169.10085	1.6
171.11700	4.0
172.71556	1.4
173.13220	2.3
175.11192	5.8
177.09111	2.4
177.12726	4.3
181.08626	3.5
185.13301	1.5
187.11192	3.9
187.14874	1.6
189.12744	3.0
191.10686	1.4
197.13306	1.5
199.11153	2.1
201.12721	5.3
203.14287	2.0
207.13707	1.5
213.16371	2.0
215.14381	2.1
221.11630	1.4
225.22081	8.5
231.17529	1.9
247.20605	2.0
255.17401	7.8
271.20673	4.0
273.18573	3.9
289.21606	7.5
307.22617	4.5
317.21216	2.3
383.32990	5.9
389.13104	1.6
391.22885	1.4
401.34027	6.6
407.33295	1.4
415.35593	4.9
420.45694	1.5
425.34079	13.5
443.35193	48.6
444.35425	4.5
461.36206	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	461.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.9
57.07073	3.9
59.14945	1.4
62.98261	1.9
67.05507	14.6
69.07067	16.6
69.33128	6.4
71.08636	2.0
79.05478	5.9
81.07053	29.1
83.04967	3.9
83.08607	6.4
85.06546	1.8
91.05463	2.1
93.07027	7.9
95.08614	25.9
97.10178	4.0
99.28494	1.7
105.07047	3.0
107.08595	6.5
109.10155	16.9
111.08084	3.3
111.11703	1.7
117.38105	1.6
119.08573	6.9
121.06454	1.7
121.10130	5.6
123.08164	1.8
123.11684	6.8
125.09634	2.0
127.07585	2.8
133.10114	2.3
135.08022	4.2
137.09634	10.5
137.13232	5.4
139.07515	3.5
142.07767	1.6
147.11734	2.4
149.09619	8.7
149.13271	2.5
151.07570	1.7
153.09088	4.7
163.11189	3.4
165.09106	100.0
166.09419	2.6
169.08546	2.2
173.09589	3.1
175.11186	3.4
177.09084	5.1
180.62991	1.9
181.08568	1.7
185.13208	2.8
189.12721	3.8
191.10663	6.3
201.12811	2.3
201.89674	1.9
203.10651	7.2
203.14420	1.9
205.12270	9.7
219.13885	2.5
231.13885	4.3
260.67889	1.5
332.38821	1.7
365.16562	1.8
376.99609	1.7
425.33731	2.2
443.35101	6.8
461.27963	1.7
461.36511	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	461.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05285	3.1
55.05500	20.1
57.07066	18.8
60.59332	3.1
67.05500	35.0
69.07053	37.3
69.28399	3.5
71.04993	29.8
71.08625	20.2
79.05486	25.6
81.07052	96.6
83.04958	4.4
83.08626	17.6
90.42551	3.1
91.05448	21.6
91.79854	3.1
93.07034	58.4
95.04979	6.8
95.08598	100.0
96.08955	3.9
99.08075	9.9
102.89360	3.6
105.07031	37.0
107.08595	79.3
109.10147	97.0
111.11698	4.9
119.08566	31.8
121.10134	43.2
123.11676	31.5
125.05991	4.7
125.09626	4.6
127.11170	44.8
131.08533	10.6
133.10135	28.4
135.08031	7.0
135.11664	46.1
137.06010	3.9
137.09586	3.8
137.13257	11.5
139.07535	8.0
141.12688	3.4
145.10117	14.1
147.11658	25.8
149.13214	27.3
151.07556	8.1
153.12743	24.7
157.10132	5.7
159.11656	13.2
161.13264	18.8
163.14847	23.3
165.09128	13.1
167.07039	4.8
171.11778	3.6
173.13281	14.3
175.14734	18.3
177.16351	14.2
179.14290	4.1
187.14801	11.1
189.12836	4.4
189.16379	7.3
191.17929	8.1
191.37250	4.4
195.17416	7.6
201.16414	5.5
203.17935	11.2
215.18042	7.5
217.19502	13.6
229.19464	4.1
271.24292	4.7
272.72318	3.7
275.23404	3.9
303.26807	9.3
329.15823	3.5
357.31400	10.5
425.37698	13.8
443.34802	24.8
461.28644	12.2
461.35547	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	462.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24640	0.8
55.45754	0.9
62.23943	0.9
65.63864	0.9
69.03426	1.2
69.81404	1.2
69.81754	2.3
73.04747	1.6
85.02885	4.5
86.98637	1.1
87.05575	1.6
91.05783	3.2
94.21474	1.0
97.02866	1.0
97.56375	0.9
109.02869	2.2
111.04430	3.2
113.02356	4.4
115.31683	0.8
123.04490	1.2
127.03893	6.6
137.05978	1.5
139.03885	6.1
140.04660	1.5
141.05489	2.0
153.05444	2.0
155.03369	22.8
167.05539	2.1
169.04932	3.3
170.05724	100.0
171.06468	6.2
176.04713	1.8
177.05475	2.9
183.06509	1.7
184.62297	0.9
187.03996	1.2
197.08130	2.6
204.04259	1.8
209.04431	17.2
215.03459	1.3
216.04233	1.2
222.05397	0.9
237.07538	15.2
237.09755	1.3
245.10371	1.4
247.05981	10.6
252.38518	1.1
255.08609	15.4
265.07123	4.1
267.06662	1.1
283.08118	3.6
359.02747	4.0
429.09268	1.7
462.21548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.05490	1.0
56.05019	0.3
56.62586	0.2
57.00945	0.3
57.03425	0.7
61.02908	0.4
65.49718	0.3
67.05502	0.3
69.03410	1.1
70.06587	0.4
71.04982	0.8
73.02916	0.9
73.04756	0.5
77.92738	0.2
79.05493	0.7
81.03412	0.4
81.07032	1.3
82.06549	0.3
83.08580	0.3
85.02909	3.6
86.03215	0.3
86.09679	0.3
91.05814	0.3
93.07024	0.2
94.00458	0.2
97.02892	1.3
97.05257	0.4
98.06033	0.4
98.09694	0.4
99.04423	0.6
101.25469	0.3
103.03918	0.8
107.08591	0.5
108.08100	0.7
109.02858	0.6
109.06513	1.3
109.10150	0.4
111.06838	0.4
117.05489	3.4
121.02818	0.4
121.06474	0.4
122.02727	1.0
126.09132	1.0
127.03909	1.0
132.60492	0.2
139.06276	1.0
145.04932	1.2
151.11128	0.4
152.07053	0.7
152.19232	0.3
154.08612	100.0
155.08966	2.1
163.06006	1.1
166.08586	0.3
167.05525	0.3
287.05597	0.3
297.20383	0.3
316.13843	0.8
331.17041	0.5
359.02670	0.4
462.19952	1.1
463.21616	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	463.0867
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
52.17295	0.1
54.03794	0.2
57.03428	1.0
65.03925	0.2
68.99780	0.6
69.03429	0.6
70.79342	0.2
71.01341	1.6
71.35226	0.2
73.02905	2.8
75.04466	0.3
79.05476	0.5
83.01366	0.2
85.02889	8.6
95.01321	1.3
96.43508	0.1
97.02863	0.6
99.00793	0.6
101.02364	0.4
103.03929	0.5
105.03367	0.5
105.06989	0.2
107.04938	0.5
109.02834	0.3
111.00773	0.9
111.04382	0.3
113.02351	4.0
121.02846	3.4
121.03851	0.2
121.04018	0.2
123.00782	0.2
126.74004	0.2
131.03378	1.9
133.02875	0.3
137.02301	0.7
141.01788	1.8
145.06523	0.3
147.04388	0.4
153.01796	4.9
157.06454	0.5
159.02872	1.4
161.05951	0.3
165.01820	1.7
171.04422	0.2
183.02881	1.2
185.05937	0.5
189.05417	0.2
213.05382	1.6
231.06442	0.7
241.04976	0.9
258.05176	1.2
259.05966	0.5
285.03824	0.3
287.05444	100.0
288.05792	4.4
339.32816	0.2
463.21466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1227
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
62.85839	0.2
69.22308	1.2
73.02862	0.3
79.05430	0.2
81.06997	0.3
95.08521	0.2
98.22740	0.4
133.10049	0.3
153.01767	0.5
184.04935	0.2
210.14835	0.2
229.04922	0.5
258.05200	14.9
259.05524	0.6
286.04663	33.9
287.05231	2.2
301.07013	100.0
302.07312	3.5
314.12622	0.2
327.07846	0.2
330.04248	0.2
463.12372	0.4
478.14328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89504	6.0
57.03424	18.8
59.04976	5.6
61.02909	7.7
69.03417	70.0
72.08145	6.3
73.02897	23.8
73.04736	10.9
79.05469	25.9
81.03413	6.9
83.23184	5.2
83.54040	5.9
85.02897	83.8
87.04440	31.8
91.05859	29.9
92.05702	9.9
97.02876	60.8
106.06545	29.8
107.04921	25.8
115.03910	61.6
116.04947	33.5
118.06511	9.5
123.51550	6.7
127.03915	12.5
131.04913	10.8
133.04953	90.7
134.05974	29.5
135.04385	8.8
145.04948	16.8
152.07027	100.0
163.06032	8.0
167.05537	18.1
176.07051	7.8
180.86360	6.8
251.08937	9.2
266.10120	31.4
284.11224	15.6
296.11087	9.7
359.02835	6.7
360.02722	30.0
430.08740	17.9
431.14984	21.9
463.11694	43.5
463.17630	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2148
Annotation	Lys Asn Ser Asp
Peak:m/z	Relative Intensity
55.05514	0.6
61.02929	0.3
69.03432	0.9
69.07068	0.5
70.01675	0.3
70.06570	0.6
71.04994	0.4
71.59024	0.4
72.08139	0.3
73.02914	0.6
79.05497	0.5
81.07053	0.7
85.02873	1.7
86.09686	0.9
91.05784	0.6
93.07021	0.8
95.04922	0.3
97.02856	0.8
97.74688	0.3
103.05453	0.3
107.04955	0.4
107.08546	0.3
109.02953	0.4
112.07650	0.3
115.03883	0.7
120.08109	1.0
121.06443	0.4
123.11709	0.5
127.03886	0.6
129.34166	0.3
132.68137	0.3
151.06258	0.4
163.39523	0.3
169.12276	0.4
255.44995	0.3
269.08173	0.4
269.86057	0.4
287.05487	6.8
288.05704	0.6
331.17130	5.2
335.09613	0.5
363.53455	0.3
427.80536	0.3
463.21472	100.0
464.21838	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	463.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.9
62.08518	1.7
69.03419	2.3
69.69553	2.8
69.69939	2.9
72.08141	1.9
73.02903	2.6
79.18309	1.4
83.04976	100.0
85.02876	3.9
86.09702	2.4
97.02879	3.0
98.94688	1.6
120.08098	2.0
132.75171	1.4
151.11165	8.2
164.07326	1.6
171.05832	1.6
214.17995	1.5
377.77164	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
67.05494	2.1
70.55746	1.5
79.05494	0.9
79.49478	0.8
81.07042	3.4
95.08610	3.2
109.10165	2.0
125.15594	0.7
157.69070	0.8
163.03909	2.5
181.04919	0.9
215.17964	1.0
224.71535	1.0
227.10623	0.7
233.19048	1.0
251.20058	0.9
277.46664	0.8
463.26584	100.0
464.27222	6.1
467.54361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	2.7
73.65829	1.1
74.18959	1.3
75.96152	1.1
81.07034	2.0
93.07024	2.0
95.08582	2.6
121.10094	1.3
165.79315	1.3
250.96799	1.4
279.45209	1.2
424.42459	1.1
445.29187	100.0
446.29623	6.2
463.25458	20.9
463.30084	73.4
464.26068	2.5
464.31073	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01842	6.5
55.05502	34.8
55.21471	2.2
57.03427	11.1
57.07066	3.5
65.03922	5.5
67.05492	72.9
69.07054	28.2
70.85214	2.6
71.04972	6.4
79.05031	5.9
79.05478	69.4
79.40408	2.4
81.03425	2.9
81.07041	80.6
83.04980	4.4
83.08616	15.3
85.06516	3.8
85.60828	2.3
91.05463	100.0
93.07020	66.1
95.04974	15.2
95.08584	51.3
97.06521	7.6
97.10178	4.4
99.08073	5.1
103.05444	3.8
105.04501	6.5
105.07011	85.9
107.04938	8.2
107.08573	33.3
109.06511	7.8
109.10159	17.9
111.08032	4.9
115.05477	6.4
116.06214	3.4
117.06998	43.4
119.08563	53.2
121.06480	12.9
121.10126	20.2
123.08047	4.5
128.06194	5.5
129.06976	24.9
131.08539	63.6
133.06477	4.4
133.10104	33.9
135.08051	8.0
135.11656	10.4
141.06964	7.3
142.07707	4.2
143.08528	28.7
145.06476	4.6
145.10107	38.0
147.08037	11.0
147.11703	6.3
149.09622	7.0
149.13307	4.9
151.11119	2.8
154.07773	3.1
155.08534	11.9
157.10069	17.6
159.11652	18.3
161.13202	3.9
167.08519	5.0
169.10057	19.4
171.08022	3.3
171.11670	11.7
173.13222	6.1
175.11064	3.1
181.10161	10.7
183.11713	10.8
185.13293	9.2
187.11172	4.5
187.14766	6.1
189.12706	3.0
195.11710	5.0
197.13252	9.5
199.14809	6.8
201.12747	3.8
209.13263	6.0
211.14777	8.6
213.12686	2.6
215.14284	3.2
219.13625	2.7
223.14767	6.5
233.15292	4.2
255.17358	3.0
259.16837	7.7
261.18588	5.0
268.99002	2.5
273.18393	5.2
313.25143	2.5
325.25198	12.9
335.23694	12.0
343.26285	16.8
353.24661	41.2
354.24850	3.6
371.25735	58.8
389.26776	55.7
390.27155	5.4
427.28293	6.3
445.29492	74.5
446.29599	7.9
463.30539	51.9
464.30692	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	463.3779
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01871	2.4
55.05501	13.5
57.07057	6.8
67.05485	2.8
69.07053	18.9
71.08591	3.5
71.98976	2.2
72.07479	1.8
81.07043	10.5
83.04972	36.0
83.08615	11.5
86.33455	2.3
91.05455	3.8
93.07010	7.2
95.08595	9.1
97.10156	5.5
99.41433	2.2
107.08562	3.3
109.06495	2.4
109.10132	5.6
111.08055	4.6
111.11699	2.7
121.06490	18.8
123.08025	2.6
127.07538	7.4
135.08034	7.1
135.78464	2.0
137.09586	7.3
139.07521	50.1
147.39078	2.5
150.49271	2.6
151.07483	3.6
153.09053	6.1
163.07506	10.0
165.09088	10.1
171.13797	7.5
181.08560	14.0
189.12762	2.8
237.14699	2.3
298.13770	2.2
307.22525	2.5
308.61459	2.0
319.22556	2.6
322.28864	2.4
345.10266	2.4
363.29016	2.3
445.36682	100.0
446.36874	7.4
463.31641	3.7
463.37793	19.4
464.37808	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	463.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	5.0
55.05508	51.1
57.07073	37.4
67.05499	20.8
69.07062	64.2
69.32562	21.8
71.08620	19.8
79.05481	17.4
81.03337	5.2
81.07050	100.0
83.04987	12.9
83.08609	54.6
85.10177	9.2
89.06020	6.9
91.05475	11.4
93.07038	31.4
93.07519	5.0
95.08604	77.6
97.10161	39.0
98.23531	5.2
104.88491	4.3
105.07023	22.2
107.08575	24.7
109.06535	11.9
109.10152	28.3
111.08086	9.3
111.11720	13.2
113.06019	5.3
115.26151	4.7
119.08564	19.7
119.99217	5.7
121.06522	13.3
121.10140	29.6
123.08045	28.0
123.11681	18.6
125.05996	14.6
127.07572	25.4
131.08546	5.9
133.10133	21.8
135.08041	16.8
135.11664	15.7
137.06009	7.7
137.09576	12.2
137.13216	12.2
139.07541	35.2
145.10123	14.1
147.11679	14.3
149.09621	9.4
149.13254	13.9
151.07532	33.5
153.09122	15.1
157.10109	11.4
159.11662	15.5
161.09584	13.2
161.13245	6.5
163.07553	15.7
163.11148	10.6
165.09082	45.6
169.08585	17.8
171.11638	10.7
173.13205	11.0
175.11212	15.6
175.14864	5.1
177.09004	6.4
177.16420	7.1
181.08580	23.3
185.13190	7.7
189.12759	18.4
191.10608	6.1
191.14287	7.9
193.12172	6.5
201.12704	6.0
203.14352	5.9
205.12276	10.8
213.12648	6.7
219.13873	9.6
223.13315	9.2
231.13780	7.5
237.14861	10.5
249.14874	13.4
252.37636	5.5
263.16397	6.1
263.27390	6.4
301.21756	8.9
307.22699	7.0
319.22769	7.6
364.26712	5.9
365.71344	6.0
385.34741	8.6
399.35806	5.7
409.34546	7.6
427.35706	43.7
445.36801	36.7
463.30313	41.4
484.87335	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	464.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52469	0.6
55.01851	0.7
55.05503	0.7
65.03922	0.6
67.05486	1.2
69.03403	2.2
69.46365	1.0
69.46757	1.7
72.08138	0.6
79.05476	2.4
81.07030	1.8
83.01349	0.9
83.04995	0.8
85.02867	1.0
89.12682	0.6
91.05461	1.5
92.88918	0.6
93.07018	3.4
95.04916	1.4
95.08597	1.9
97.06474	0.6
97.21287	0.6
99.04369	0.7
105.07001	2.4
107.08588	4.0
109.06511	1.0
109.10102	1.3
111.02648	0.9
111.08106	0.8
115.03876	0.7
119.08577	0.8
121.06466	4.3
121.10093	3.4
131.04893	4.4
133.02870	0.6
133.10094	3.1
137.06001	1.2
147.11568	0.7
149.05939	2.0
151.11186	0.8
155.00194	0.7
159.04425	3.2
162.03082	5.2
163.03758	0.8
163.07584	0.8
169.14877	0.7
173.06044	0.7
173.65161	0.7
174.72989	0.7
177.05426	2.4
190.01016	1.2
190.02600	16.5
190.04350	0.8
191.06981	1.6
193.04906	0.9
199.03705	0.8
205.04927	100.0
206.05307	3.1
213.05472	1.1
217.04825	0.9
219.06482	13.4
219.08409	1.2
220.06839	0.7
221.04381	1.2
231.06512	1.9
233.07996	2.7
245.08025	3.0
247.05995	2.4
247.09535	0.8
259.09808	0.9
273.11194	10.0
283.09564	1.5
297.11063	0.7
301.10663	0.9
302.07428	0.7
313.13977	0.8
325.14316	11.8
343.15344	43.5
344.15591	1.9
357.11359	2.1
375.12277	1.6
384.41333	0.6
432.09933	0.7
432.15625	0.8
446.16403	1.6
457.59323	0.7
464.17191	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	464.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01861	8.4
57.03429	16.3
59.04984	2.4
61.02914	11.9
65.03969	1.6
67.05501	1.5
69.03420	28.5
69.03795	1.8
71.01349	3.2
71.04990	1.4
73.02908	62.2
81.03419	5.6
85.02892	61.4
87.04452	3.9
91.03940	3.2
95.04965	1.4
97.02879	46.3
99.04449	4.9
103.03919	3.4
103.05450	1.2
106.46983	1.1
107.08589	2.5
109.02872	5.3
111.00813	1.7
111.04403	1.2
115.03114	2.1
115.03909	26.1
117.05471	14.8
121.02846	41.5
124.52841	1.1
127.03898	20.0
131.04918	5.3
133.04948	31.4
135.04399	1.7
136.07558	3.1
137.02351	4.2
139.03897	1.3
145.04936	32.0
151.03876	2.0
152.77113	1.1
153.01817	5.0
153.05443	61.2
154.05800	2.7
157.05083	1.2
160.03917	1.8
161.05981	1.7
163.03903	2.3
163.06026	10.8
163.07483	3.2
165.01819	2.0
181.05029	1.7
183.02502	1.1
193.08632	1.4
201.05473	2.9
223.06032	4.4
229.04962	4.4
229.07053	1.9
241.07053	4.5
257.04465	2.8
259.08154	4.7
277.13391	1.3
279.79822	1.3
285.04175	1.2
303.04941	100.0
319.04291	1.4
409.11395	1.4
463.21420	4.9
464.16006	2.0
464.21811	55.4
465.22632	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	464.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97249	4.6
57.03426	31.8
69.03419	62.4
70.60350	8.4
80.30943	4.9
85.02883	55.7
87.04450	53.8
97.02879	67.6
98.23366	7.6
115.03912	98.3
116.24506	4.7
117.05502	6.0
121.02847	53.8
127.03887	9.8
133.04941	100.0
145.04890	10.3
153.05453	77.4
160.03893	43.5
163.03947	4.8
175.97276	5.3
241.06982	5.5
303.04916	75.6
464.15521	17.9
464.21851	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	464.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05497	0.8
57.03426	1.2
61.02914	1.4
69.03423	3.9
70.04077	3.4
70.08270	0.5
70.08634	1.5
70.22823	0.4
71.05003	3.3
72.08138	1.2
73.02900	2.1
79.05473	0.8
81.03413	1.6
83.04993	0.5
83.08596	1.1
85.02898	11.6
87.04460	0.6
89.03150	0.6
89.06027	0.7
93.07014	1.0
95.04922	0.5
95.08585	1.5
96.04458	2.8
96.08108	1.6
97.02882	4.9
97.05243	1.3
97.06513	0.8
99.90620	0.5
100.07612	1.0
110.06029	5.7
110.09668	3.7
111.08019	0.6
120.08070	2.6
121.06446	0.5
125.36580	0.5
126.09133	6.8
127.03897	2.0
129.05426	1.1
135.04384	0.8
138.05508	0.5
138.09125	18.5
139.07506	0.9
145.04944	2.0
147.06541	0.7
152.10657	0.7
156.10178	100.0
157.10583	2.7
168.10208	1.5
170.12868	9.1
180.10170	1.2
188.03728	1.7
198.11172	0.9
222.11215	0.6
260.11249	0.9
266.13824	0.7
301.11713	1.2
302.12146	3.6
303.04996	0.6
318.15421	32.0
319.15692	1.4
332.18115	6.6
464.15961	0.7
464.22440	0.6
465.19873	2.5
465.25726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01871	1.1
55.05501	1.6
57.03428	11.4
59.04964	0.9
61.02912	1.6
69.03411	3.3
71.01340	1.2
71.04981	71.1
71.45176	1.0
72.05336	0.7
73.02900	2.8
75.04454	4.7
81.03409	0.8
83.04965	8.2
85.02891	100.0
85.25746	0.8
87.04456	1.9
91.05796	0.8
97.02885	4.7
99.04469	1.6
103.03924	1.6
105.03398	1.3
109.02869	1.3
111.04415	4.6
115.05337	0.7
121.06490	9.5
123.04418	1.1
127.03894	6.2
129.05458	39.7
145.04909	4.4
145.06487	2.8
146.08119	1.8
147.06500	21.4
158.11781	3.0
159.08051	1.5
163.03908	1.1
163.06084	1.4
163.07474	1.8
164.09161	6.2
171.06433	0.8
175.07561	1.0
179.06979	1.0
187.07518	5.5
188.03735	1.8
190.72433	0.8
192.33264	0.7
205.08556	4.8
225.07739	0.8
229.08678	1.1
231.10121	2.2
237.07506	0.9
241.07394	0.9
247.09636	1.2
249.11327	1.1
255.08675	2.1
265.10559	0.9
267.12189	0.9
272.06561	0.8
273.09573	1.3
302.19601	1.2
303.04965	3.2
309.11987	1.5
333.15097	1.3
361.02847	0.9
464.14825	1.2
464.25217	1.0
465.19293	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	464.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06856	1.4
55.01871	2.4
55.05499	1.9
57.03441	9.2
61.02916	2.4
63.71790	1.9
66.14723	1.7
69.03423	5.4
69.23348	5.5
69.23756	3.3
71.04981	69.1
73.02890	2.8
75.04465	7.1
81.03397	2.0
83.04964	10.8
85.02891	100.0
87.04453	2.6
91.05788	3.6
95.04957	2.0
97.02881	7.1
98.22709	3.7
111.04435	7.1
117.06964	1.9
121.06496	9.0
123.04417	28.2
127.03915	9.2
129.05446	40.3
131.04930	1.7
139.03833	2.4
145.04953	4.7
145.06445	5.7
147.06491	23.0
151.03963	1.7
159.08012	2.1
163.03885	3.0
163.07527	3.8
165.05574	1.7
175.07515	2.2
177.01704	1.7
183.02876	3.8
187.07486	7.4
205.08632	9.8
207.02853	2.6
231.10249	3.1
233.04430	3.2
249.11070	3.2
255.08524	2.8
261.03827	1.7
267.04910	2.9
267.12207	2.7
271.06039	1.6
273.09521	2.6
273.42490	1.6
279.04837	2.8
297.05969	3.7
313.05576	5.4
325.05396	3.5
361.02734	2.5
405.14264	3.2
464.16653	2.1
465.19562	9.2
486.43137	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	464.2172
Annotation	Sclerotiamide
Peak:m/z	Relative Intensity
50.44605	0.9
55.05493	1.6
56.05032	40.0
57.03428	4.3
60.04518	4.1
61.01146	23.8
65.03931	3.9
68.05016	1.2
69.03404	1.4
69.07066	10.2
70.02942	1.9
70.06580	2.3
71.04987	33.3
72.59927	1.1
73.02893	1.3
73.04739	1.4
74.02433	5.1
74.06065	1.2
74.25549	0.9
75.04470	2.3
82.06604	1.2
83.04970	6.0
84.08150	2.1
85.02894	43.4
86.09695	87.2
87.04455	1.9
87.05581	26.9
87.10047	1.7
88.03970	1.6
91.05792	1.2
93.03397	5.4
96.38019	1.3
97.02891	1.8
98.06055	3.6
104.05315	100.0
107.08580	1.1
108.08181	1.1
111.04432	21.4
116.03463	2.5
127.03899	2.4
129.05467	23.5
133.06071	64.0
139.03882	59.8
140.04266	1.4
143.08139	38.5
144.74854	1.0
147.06503	6.9
152.07108	3.5
153.07472	1.4
155.11775	1.8
163.03914	1.2
173.12822	9.7
183.11246	4.8
191.08461	15.2
199.07141	1.3
201.12317	15.8
219.07968	12.2
239.82495	1.0
247.07462	5.1
264.10117	54.8
265.10333	1.9
269.13101	2.4
269.43896	0.9
285.09753	1.3
287.14389	1.2
314.15320	15.7
316.09521	1.6
332.16278	1.5
334.10660	2.1
351.13318	12.6
361.02509	1.1
447.18976	1.5
457.56833	1.3
464.15234	6.8
464.21536	3.6
465.19910	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52217	2.3
55.05503	13.1
57.03422	3.1
57.07056	3.9
60.09885	2.2
65.03940	2.9
67.05163	3.9
67.05498	55.8
69.07060	11.1
69.32021	5.2
69.32426	8.2
79.05489	14.3
81.07047	67.7
83.08621	14.9
87.08125	2.0
91.05475	22.8
93.07037	21.9
95.08020	3.9
95.08598	53.2
97.06514	7.8
97.10163	7.8
98.98470	8.3
102.25065	2.2
102.94514	2.2
104.63953	2.3
104.78380	2.5
105.07008	6.4
107.08584	13.2
109.10139	30.4
109.17405	2.2
111.08054	5.3
117.26595	2.2
119.04941	29.5
119.08582	9.9
121.10136	21.5
123.11705	15.6
129.09148	2.9
131.08455	4.0
133.10127	21.4
135.11682	18.9
137.09598	7.9
137.13240	4.8
145.10072	5.5
147.04393	100.0
147.11617	6.1
149.13246	9.4
151.11163	15.4
155.00995	5.4
159.11639	3.9
165.05493	11.2
165.12701	2.1
169.12274	4.5
173.13271	4.2
183.13751	4.3
187.14778	3.6
195.13933	2.4
210.68004	2.2
215.17940	39.4
233.18973	27.6
237.22023	2.2
251.20061	35.0
265.21667	15.1
283.22684	7.1
311.25769	13.0
312.98364	2.4
464.33658	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1003
Annotation	Irieol C
Peak:m/z	Relative Intensity
71.43441	1.0
92.76022	1.1
98.97589	1.8
99.00963	1.2
135.03885	0.9
145.36314	1.0
333.04752	2.3
351.05869	2.3
447.08795	2.4
465.09949	100.0
466.10519	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	465.1021
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
53.03924	0.7
55.01868	1.0
55.05504	0.6
57.03433	1.7
59.04979	0.4
61.02921	1.7
65.03931	0.4
65.54359	0.3
67.05485	0.8
68.99796	1.0
69.03421	6.5
69.07075	1.6
69.44770	0.4
71.04993	1.7
73.02881	0.4
79.05473	1.1
81.03423	1.7
81.07047	2.0
83.08601	0.4
85.02899	13.0
86.09683	1.7
87.04449	1.7
91.03937	0.4
91.05464	1.0
93.07036	2.1
95.04958	1.1
95.08601	1.1
97.02880	6.3
97.06515	0.5
99.04449	0.8
105.07022	1.2
107.04937	0.4
107.08577	1.8
109.02864	1.6
109.06512	0.9
109.10179	0.8
111.00786	1.5
112.11291	0.4
115.03927	2.8
119.08544	1.1
120.08110	1.0
121.02843	1.2
121.06522	0.5
121.10141	0.8
123.04417	0.6
125.13229	0.4
127.03898	2.0
131.08554	0.5
133.04947	2.3
135.11667	2.0
137.02336	4.2
137.05965	0.5
137.13298	0.4
143.08609	0.4
145.04921	1.8
145.10150	0.5
147.08086	0.4
149.09489	0.5
153.01811	4.2
153.12729	7.0
159.08034	0.4
161.06004	1.0
161.09593	0.5
163.03868	1.1
165.01849	2.0
173.05984	0.6
183.02933	0.7
187.03854	0.7
201.05434	2.3
219.06418	0.4
229.04956	5.0
231.13811	0.3
244.88370	0.3
257.04388	2.9
257.12683	0.4
274.04816	0.8
275.05130	0.5
285.03864	1.6
285.16934	0.4
287.14301	0.3
303.04953	100.0
304.05310	4.3
345.05621	0.5
349.41037	0.4
465.33755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03921	0.5
55.01873	0.7
55.05487	0.1
57.03428	1.1
61.02683	0.1
61.02923	1.6
65.03938	0.3
67.05476	0.3
68.99786	0.8
69.03423	3.6
69.53358	0.4
71.04984	0.7
73.02909	0.7
79.05473	0.2
81.03406	2.1
81.07021	0.2
82.06551	0.1
83.01321	0.3
84.02673	0.1
85.02894	10.2
86.03209	0.3
86.09690	0.5
87.04441	0.5
91.03941	0.5
91.05434	0.2
93.03388	0.4
93.07005	0.4
95.04966	0.7
97.02879	3.7
98.23433	0.1
99.04443	0.6
103.03946	0.1
107.08582	0.3
109.02870	1.3
111.00793	1.1
111.04446	0.2
115.03892	0.4
120.08096	0.4
121.02845	1.4
121.10172	0.2
123.04406	0.3
127.03909	1.7
131.04860	0.3
134.55644	0.1
135.04375	0.4
135.08041	0.2
135.11699	0.2
136.07552	0.3
137.02330	3.9
137.03391	0.2
145.04922	1.8
145.06480	0.3
147.11655	0.2
149.02322	0.4
153.01801	4.4
153.12724	0.4
155.04912	0.4
161.05984	0.8
161.09596	0.2
163.03915	0.8
164.07027	0.3
165.01817	2.2
166.02626	0.2
167.07050	0.3
171.13820	0.2
173.05965	0.6
177.05634	0.1
183.02855	1.0
183.04439	0.4
187.03914	0.3
189.09074	0.4
191.03381	0.3
191.06909	0.1
195.02826	0.3
201.05411	1.9
205.04927	0.2
205.84802	0.1
207.10159	0.5
211.03925	0.2
215.03387	0.2
219.02948	0.2
219.06451	0.4
228.04140	0.4
229.04929	4.7
239.03386	0.2
243.11223	0.2
247.05855	0.9
257.04388	2.9
257.07123	0.2
274.04730	0.8
275.05530	0.2
285.03897	1.7
285.12283	0.4
286.04636	0.2
303.04938	100.0
304.05267	3.7
315.04941	0.3
345.05966	0.5
428.26605	0.2
465.17477	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid
Peak:m/z	Relative Intensity
50.01600	0.5
51.02376	1.0
53.03931	0.7
55.01868	3.0
55.74211	0.4
61.02925	0.7
66.75263	0.5
67.05485	1.2
68.99783	2.4
77.03912	1.8
81.03395	1.1
83.01346	1.0
85.02892	1.6
91.05466	0.6
93.03442	0.5
95.01319	1.3
95.04960	2.3
97.02876	1.1
98.23528	1.0
99.04472	0.6
103.05511	0.6
105.03390	2.2
107.04929	3.0
107.71217	0.5
109.02894	1.1
111.04435	1.3
119.04936	0.7
121.02869	2.9
123.04412	100.0
124.05212	1.8
127.03897	21.4
131.04919	1.3
135.04391	11.2
137.02333	1.4
137.05952	4.0
139.03882	12.2
140.04211	0.6
141.06950	0.9
145.02863	0.6
146.03580	0.9
147.04387	2.2
149.02333	2.3
149.05969	1.1
150.03070	1.2
151.03885	2.6
155.04938	0.6
159.04376	1.1
161.05943	1.3
163.03889	18.2
165.01784	1.9
167.03395	3.5
167.04750	0.8
169.06467	0.8
171.04433	0.6
173.05949	1.2
175.03914	1.0
177.01839	8.9
177.05473	1.2
179.03352	8.9
179.04788	1.0
187.03894	2.1
189.05440	1.1
191.03355	7.1
193.04980	1.2
195.02863	5.5
197.05931	1.4
199.03723	0.6
201.05479	1.1
203.03374	4.4
205.01329	2.1
205.04898	3.2
207.02832	1.5
209.04413	0.7
213.03468	0.5
215.03407	1.4
217.05022	1.5
219.02869	9.5
221.04361	2.3
223.02328	11.8
227.06915	0.6
229.04938	1.2
231.02803	1.7
233.04436	3.7
237.05540	0.7
243.02695	0.8
243.06436	1.0
245.04501	1.5
247.02124	0.7
249.03801	0.8
251.05324	0.8
253.05057	1.2
255.06306	2.4
257.04657	0.7
259.02448	1.5
261.03876	4.4
271.05966	52.5
272.06708	18.0
273.07245	2.6
279.04941	16.6
281.04340	0.7
283.06018	1.0
285.06079	0.8
289.03906	0.7
289.06781	3.0
295.04510	1.7
297.05936	7.4
299.05219	0.7
303.04959	4.3
307.04373	3.6
309.03760	0.8
311.05441	1.9
319.04434	4.8
323.05292	1.1
325.05447	14.8
337.05661	4.9
339.04865	0.5
349.07407	0.5
355.04230	0.8
383.07611	0.7
411.06934	1.9
419.09668	0.6
429.07959	4.5
447.09103	2.1
449.76544	0.6
465.14832	8.0
489.16525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1177
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
51.14769	0.5
68.99804	0.7
69.07050	0.7
69.64908	2.1
79.20446	0.5
81.49973	0.5
83.04929	0.6
91.05453	2.8
102.04660	1.6
105.07030	0.8
110.03650	0.9
119.04926	1.8
123.04436	0.6
130.04141	2.2
131.04832	0.6
135.04405	0.9
136.05151	1.4
137.05936	1.0
145.02925	0.5
146.03610	4.1
147.04359	3.6
148.05174	4.9
153.01787	7.6
161.05966	3.2
162.06740	0.7
163.03804	1.2
203.03377	6.0
213.05397	1.0
229.04912	7.6
241.04994	1.4
242.05695	14.6
253.04976	5.1
255.06392	0.6
257.04404	60.7
258.05167	24.8
259.05756	0.7
269.04434	2.7
270.05228	6.4
271.05902	1.9
283.05872	0.7
285.03894	5.6
286.04660	36.4
287.05429	19.2
288.05859	0.7
295.05688	1.0
297.03891	7.0
299.05426	2.3
326.41895	0.6
327.04919	2.0
341.06668	1.3
359.09061	0.8
368.06403	0.7
373.07358	0.9
375.08890	0.7
387.08524	1.4
403.08069	1.5
414.87482	0.6
415.08060	0.5
432.08209	2.6
435.10657	4.8
447.10663	15.2
448.11102	0.8
465.11728	100.0
466.11963	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	465.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	0.6
69.14903	3.4
74.52380	0.5
81.07032	1.5
85.02873	0.7
93.07077	0.7
95.08610	1.1
97.02863	0.5
97.06568	0.5
107.08625	0.6
109.10104	0.7
111.52721	0.5
112.04623	0.5
126.99955	0.9
133.10075	0.8
136.44716	0.5
143.08490	0.5
201.05183	1.2
216.07547	12.0
216.09496	0.9
216.45784	0.5
217.08331	11.3
227.05229	2.4
271.04163	4.1
337.57657	0.6
379.13547	5.2
421.14642	40.2
422.14856	2.1
465.13626	100.0
466.14041	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	465.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27795	1.1
69.28206	0.5
69.75974	0.3
71.04980	0.4
85.02911	0.5
98.22713	0.8
98.97565	0.4
151.46014	0.3
171.06293	0.7
222.63542	0.4
273.09448	1.2
317.08459	0.9
333.07742	0.3
333.11487	10.5
405.13623	6.0
465.15704	100.0
466.16190	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	465.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01857	1.5
55.05488	1.4
57.03437	10.5
61.02912	2.3
67.05505	1.2
69.03427	3.0
70.06577	1.5
71.04986	84.1
71.43943	1.4
73.02898	3.8
75.04453	3.8
81.07040	1.5
83.04958	5.0
85.02896	100.0
86.03255	1.5
86.09709	1.3
87.04477	2.6
93.07027	1.0
97.02869	3.2
110.06032	2.7
111.04444	2.9
115.03921	1.2
120.79616	1.3
122.05986	2.5
124.07578	2.2
127.03940	1.4
129.05466	46.2
137.05882	1.5
140.03410	2.2
140.07054	1.7
141.12714	1.2
142.08617	4.2
144.13863	2.3
145.04955	2.3
147.06508	19.8
153.12779	2.5
162.05496	14.9
164.09186	9.7
171.13800	1.7
198.04909	1.2
217.13269	1.1
257.07980	1.3
285.12506	1.9
303.13342	8.9
429.16718	1.2
447.17603	2.1
465.18359	3.6
465.27264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01857	1.5
55.05488	1.4
57.03437	10.5
61.02912	2.3
67.05505	1.2
69.03427	3.0
70.06577	1.5
71.04986	84.1
71.43943	1.4
73.02898	3.8
75.04453	3.8
81.07040	1.5
83.04958	5.0
85.02896	100.0
86.03255	1.5
86.09709	1.3
87.04477	2.6
93.07027	1.0
97.02869	3.2
110.06032	2.7
111.04444	2.9
115.03921	1.2
120.79616	1.3
122.05986	2.5
124.07578	2.2
127.03940	1.4
129.05466	46.2
137.05882	1.5
140.03410	2.2
140.07054	1.7
141.12714	1.2
142.08617	4.2
144.13863	2.3
145.04955	2.3
147.06508	19.8
153.12779	2.5
162.05496	14.9
164.09186	9.7
171.13800	1.7
198.04909	1.2
217.13269	1.1
257.07980	1.3
285.12506	1.9
303.13342	8.9
429.16718	1.2
447.17603	2.1
465.18359	3.6
465.27264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00917	0.3
60.67924	0.3
69.03422	0.4
70.06570	0.6
72.08121	0.3
78.93530	0.3
85.02885	0.9
98.17129	0.3
105.03385	0.4
138.09137	0.5
148.55945	0.3
171.09923	1.7
261.10150	0.4
275.07462	0.5
303.04883	2.4
303.13425	0.5
317.08640	0.5
333.15149	17.5
333.33121	0.3
334.15619	0.7
383.58081	0.3
405.14191	1.1
406.53113	0.3
465.19385	100.0
466.19791	6.0
466.26385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89785	6.3
60.34521	7.1
69.07064	7.1
69.74858	6.4
79.05477	11.7
84.76587	6.7
86.14339	6.5
91.05472	27.5
92.83852	6.9
93.07039	18.7
95.04965	15.6
105.06966	14.4
107.04932	23.6
107.08586	11.5
121.06509	20.3
123.04417	10.8
129.06990	20.9
131.08446	7.3
135.11668	12.9
137.05946	13.2
140.04659	9.4
151.07512	15.0
153.05519	8.6
155.07074	14.9
155.11441	7.2
157.06487	15.1
161.05991	62.5
161.09586	15.2
163.07535	19.8
165.09100	9.1
166.04942	12.1
167.06998	100.0
174.06706	9.8
175.07445	11.1
179.07056	9.3
181.08589	82.5
189.09073	83.0
207.10112	22.1
219.10127	13.2
223.07542	8.1
225.09099	11.5
237.09094	8.4
244.60500	8.0
253.08478	14.9
283.09579	11.5
285.11404	28.3
288.70447	7.4
303.13449	35.4
315.12238	19.0
317.13760	30.5
329.13925	12.0
343.15378	43.0
360.15576	42.5
361.16443	93.1
435.19684	9.7
465.16641	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	465.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01854	1.3
55.05503	1.5
57.03434	2.5
57.07052	0.5
59.04985	1.1
61.02918	2.8
65.03938	0.6
67.05490	1.0
68.99783	1.1
69.03424	10.6
69.07054	3.1
71.04981	3.8
71.42536	0.3
73.02905	0.9
73.06542	0.5
75.04463	0.4
79.05484	1.5
81.03410	2.9
81.07059	3.4
83.04967	0.7
83.08617	0.7
85.02893	17.8
86.09695	2.7
87.04461	4.0
91.03958	0.6
91.05463	1.6
93.07034	3.9
95.04951	1.6
95.08588	1.5
97.02885	8.4
97.06501	0.9
99.04435	1.1
103.03963	0.4
105.07033	1.2
107.04942	0.6
107.08579	3.7
109.02866	2.1
109.06513	2.1
109.10155	1.7
111.00781	1.0
111.04394	0.4
111.08102	0.4
115.03919	5.4
117.07000	0.5
119.08591	1.6
120.08101	0.9
121.02848	1.7
121.06523	0.7
121.10132	0.6
123.04421	0.6
123.08019	0.4
125.13224	1.1
127.03892	2.9
131.08546	0.9
133.04950	6.6
133.06485	0.6
133.10069	0.4
135.04407	0.7
135.11679	5.3
137.02322	3.9
137.05956	0.6
137.13228	0.4
139.11157	0.4
143.08585	0.6
145.04964	3.5
145.10112	0.5
147.11678	0.7
151.07481	0.4
151.11153	0.7
153.01793	5.3
153.12724	15.6
154.13072	0.6
155.04892	0.4
159.07951	0.4
161.05969	1.2
161.09557	0.6
163.03880	0.9
163.07545	0.4
165.01849	2.5
165.12729	1.0
173.05981	0.7
173.09598	0.4
177.12706	1.0
183.02902	1.0
189.09077	0.8
189.12723	0.5
195.13745	0.5
201.05415	2.4
207.10210	0.7
219.13768	0.3
228.04196	0.5
229.04932	5.4
231.13872	0.7
247.05884	0.7
249.15010	0.4
257.04407	3.5
267.15927	0.9
274.04706	0.8
284.28333	0.3
285.03964	1.5
285.16974	0.8
303.04947	100.0
304.05255	7.1
315.17831	0.6
319.02731	0.5
396.85974	0.3
465.17068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2332
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01854	7.2
55.05505	8.3
57.03429	9.8
61.02919	7.4
66.08694	4.5
67.05487	7.5
69.03429	32.3
69.07050	6.1
71.04993	32.6
72.08145	25.7
73.02908	15.0
79.05486	9.4
80.06503	5.4
81.03404	11.9
81.07052	12.9
84.04485	13.0
85.02893	60.4
86.09704	70.3
87.04453	11.0
91.05456	11.8
93.07037	28.9
95.08580	14.1
96.36369	6.0
97.02876	34.4
101.07132	5.3
101.79369	6.2
103.05466	8.3
105.07028	16.9
107.04987	10.5
107.08586	32.8
109.42718	5.4
115.03932	20.6
119.08549	9.4
120.08103	80.2
121.08382	7.0
127.03891	18.1
127.07577	12.7
129.07066	5.9
131.04884	7.1
133.04941	23.3
133.06519	7.4
135.11685	19.7
136.07553	14.2
137.02298	7.4
137.05942	10.1
139.24342	5.2
145.04982	16.5
145.08578	67.5
151.03856	5.0
153.01849	9.3
153.12747	39.1
154.72469	5.7
161.05957	56.1
161.09581	12.8
163.03905	9.1
163.06055	8.8
164.07074	11.9
166.08646	8.2
167.07018	13.9
173.12938	6.9
175.07512	8.5
189.09074	33.1
191.09164	6.4
207.10153	39.2
211.09703	12.5
224.15245	4.9
229.04941	9.5
233.16559	15.2
285.04095	7.5
303.04944	100.0
361.16479	12.7
367.09985	10.8
421.14655	14.9
465.13696	34.1
465.22241	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	465.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.2
55.05505	8.3
57.03429	9.8
61.02919	7.4
66.08694	4.5
67.05487	7.5
69.03429	32.3
69.07050	6.1
71.04993	32.6
72.08145	25.7
73.02908	15.0
79.05486	9.4
80.06503	5.4
81.03404	11.9
81.07052	12.9
84.04485	13.0
85.02893	60.4
86.09704	70.3
87.04453	11.0
91.05456	11.8
93.07037	28.9
95.08580	14.1
96.36369	6.0
97.02876	34.4
101.07132	5.3
101.79369	6.2
103.05466	8.3
105.07028	16.9
107.04987	10.5
107.08586	32.8
109.42718	5.4
115.03932	20.6
119.08549	9.4
120.08103	80.2
121.08382	7.0
127.03891	18.1
127.07577	12.7
129.07066	5.9
131.04884	7.1
133.04941	23.3
133.06519	7.4
135.11685	19.7
136.07553	14.2
137.02298	7.4
137.05942	10.1
139.24342	5.2
145.04982	16.5
145.08578	67.5
151.03856	5.0
153.01849	9.3
153.12747	39.1
154.72469	5.7
161.05957	56.1
161.09581	12.8
163.03905	9.1
163.06055	8.8
164.07074	11.9
166.08646	8.2
167.07018	13.9
173.12938	6.9
175.07512	8.5
189.09074	33.1
191.09164	6.4
207.10153	39.2
211.09703	12.5
224.15245	4.9
229.04941	9.5
233.16559	15.2
285.04095	7.5
303.04944	100.0
361.16479	12.7
367.09985	10.8
421.14655	14.9
465.13696	34.1
465.22241	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	465.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
53.08424	1.9
55.05496	8.9
57.03428	9.2
57.07066	2.8
59.05016	3.1
61.02919	4.1
65.03928	2.2
67.05505	5.1
69.03424	25.0
69.07066	11.7
71.01379	2.3
71.04988	21.7
71.44704	2.4
73.02904	7.9
73.06562	5.6
79.05481	9.7
81.03404	6.0
81.07052	26.8
83.04993	6.6
83.06084	3.9
83.08600	6.3
84.04524	11.7
85.02901	23.8
85.06541	2.4
86.09694	8.3
87.04471	10.0
91.05449	6.7
93.07033	24.6
95.04962	6.3
95.08617	11.1
97.02881	25.1
97.06528	3.6
97.10151	5.0
99.04410	2.5
101.07092	2.9
102.05521	2.5
105.07022	7.8
107.04962	2.9
107.08590	21.0
109.06512	5.7
109.10144	6.7
115.03925	24.8
119.08587	5.5
120.08068	3.0
121.06512	3.6
121.10128	8.8
123.11659	2.7
125.13185	4.4
127.03899	6.9
129.06613	6.7
130.05019	10.2
133.04935	19.6
133.10136	3.2
134.81279	2.0
135.08054	2.2
135.11668	29.2
145.04959	3.8
145.08592	4.0
145.10109	5.2
147.07631	7.2
147.11696	2.8
151.07553	3.3
151.65117	2.2
153.12730	100.0
159.11708	5.8
159.98274	2.2
163.06012	2.6
165.12730	7.5
170.11774	2.5
171.13742	3.7
175.11243	2.4
193.12250	3.1
194.15973	2.2
199.14799	2.9
211.13307	2.6
215.70134	2.0
229.15775	2.5
231.13835	3.0
285.12189	2.9
285.16907	6.5
301.21509	6.3
319.22552	5.6
447.28961	5.0
465.22333	2.1
465.29773	8.6
466.14780	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	465.2329
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
53.03938	0.7
55.01860	1.3
55.05495	2.0
57.03431	3.1
59.05006	2.2
61.02909	1.7
64.22635	0.4
65.03934	0.4
67.05494	1.3
67.31257	0.4
69.03424	10.1
69.07046	2.4
69.38056	0.4
69.61626	1.0
71.01322	0.6
71.04982	17.4
73.02913	6.9
73.06539	4.1
79.05480	4.2
81.03408	1.9
81.07050	19.1
83.04958	0.7
83.08600	0.6
85.02895	18.7
85.06534	0.9
86.09695	0.8
87.04464	0.8
91.03973	0.5
91.05481	1.8
93.07037	13.1
94.02742	0.6
95.04951	1.3
95.08596	2.6
97.02879	12.9
97.06522	1.6
99.04447	1.2
103.03947	0.5
105.06998	1.2
105.35692	0.4
107.04909	0.7
107.07914	0.8
107.08585	9.0
109.02839	1.8
109.10147	2.8
111.08044	0.7
113.05966	0.4
115.03917	4.8
120.08092	2.5
127.03912	5.0
127.07521	1.7
131.04900	0.5
131.07040	0.8
131.08577	0.5
133.04955	5.1
135.11676	20.8
137.05946	0.8
145.04938	5.5
145.08577	8.9
146.78296	0.4
149.05962	0.6
151.07597	0.7
153.12723	100.0
154.13054	2.6
157.06413	0.4
161.05931	1.2
163.05991	2.1
163.07370	0.4
167.07031	2.4
181.08585	1.2
189.09096	1.7
191.09143	0.7
199.38307	0.4
223.05936	1.1
241.07037	1.5
259.08154	1.5
279.16745	0.5
285.10968	0.5
287.05334	0.7
295.10138	0.5
303.04883	0.7
343.15152	0.6
361.16425	2.3
441.61462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05282	1.2
55.05508	11.1
58.55249	0.9
65.03934	1.2
67.05492	4.6
69.03425	2.0
74.04893	1.0
79.05490	21.5
81.03429	1.3
81.07054	100.0
82.07377	1.9
83.04975	66.8
84.05288	1.1
91.05470	13.3
91.05978	1.3
93.07034	8.3
95.04949	2.9
95.08604	2.3
96.92188	1.5
98.22602	2.1
105.04496	1.7
105.07029	2.3
107.04941	1.5
107.08590	1.3
109.06521	19.6
109.10143	12.0
119.04937	1.6
119.08578	0.9
121.06461	2.3
121.10140	2.9
123.08076	1.3
123.11713	1.9
131.04903	1.0
135.11658	1.1
137.05963	3.3
143.09433	1.2
149.09619	2.5
152.19939	1.0
153.05403	1.1
165.05482	7.8
167.06953	1.3
175.07500	1.8
177.09068	2.0
189.09125	1.4
190.02512	1.2
191.06934	1.7
205.04939	4.9
205.08601	5.9
207.06480	4.9
207.10149	18.2
219.06400	1.4
219.10159	3.8
225.69421	1.2
233.07970	1.8
236.46251	1.0
243.10130	10.2
245.11642	1.7
247.09631	5.2
259.09610	2.3
261.11215	1.9
273.11273	1.2
287.16470	2.2
303.15588	1.8
315.15839	3.7
325.14291	1.3
327.15839	1.3
343.15399	37.3
344.15759	3.1
365.21072	5.8
429.77890	1.2
465.26239	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
67.05489	0.7
69.07067	0.7
69.54590	1.6
81.07055	0.8
93.07041	0.5
98.23493	0.4
145.10031	0.4
151.09059	0.4
157.29752	0.4
205.04874	0.5
218.70349	0.4
284.12817	0.4
465.28189	100.0
466.28500	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	465.3937
Annotation	Certonardosterol D3
Peak:m/z	Relative Intensity
50.10938	1.1
53.00318	1.1
55.01855	1.2
55.05257	1.3
55.05506	21.0
56.30151	0.9
57.07068	10.0
67.05488	10.5
69.06703	2.1
69.07057	28.0
71.08606	5.8
75.12320	1.2
79.05474	3.1
81.06620	1.3
81.07046	15.8
83.01337	2.0
83.04974	2.9
83.08608	25.3
85.10165	1.5
89.06020	11.5
91.05470	4.9
93.07024	8.5
95.04945	4.9
95.08586	17.1
97.06515	1.9
97.10151	18.5
105.07015	3.8
107.08566	6.8
109.06495	1.9
109.10126	13.1
111.08064	8.4
111.11713	3.9
119.08569	12.2
121.06484	4.8
121.10145	6.1
123.04409	8.7
123.08047	3.0
123.11702	7.4
125.05979	1.7
125.09609	2.5
131.08562	2.1
133.08571	6.0
133.10085	2.6
135.07913	1.4
135.11673	5.8
137.05873	2.1
137.09599	15.8
137.13217	2.5
139.07518	30.4
139.11145	1.6
145.10057	2.0
146.28670	1.0
147.08022	1.8
147.11681	2.3
149.13248	3.0
151.11148	7.8
151.14819	1.6
153.09065	2.6
155.08476	1.1
159.11678	1.3
161.13269	1.6
163.11137	1.6
165.09096	15.1
165.12730	6.0
167.10645	1.7
173.13287	1.1
175.14867	1.3
176.71577	1.1
177.11215	1.4
177.12706	1.8
179.10640	2.0
179.14268	5.5
183.10092	1.8
191.14297	2.2
193.15784	5.2
205.15854	2.1
207.13837	2.2
207.17400	2.6
219.13744	1.1
221.15271	1.6
228.07578	1.1
261.25809	1.1
263.23569	1.2
277.21854	1.2
289.77139	1.1
300.47797	1.5
319.26666	1.1
401.37756	8.7
403.35284	1.4
429.37207	49.0
430.37527	4.2
447.38272	100.0
448.38550	7.7
465.15219	2.4
465.33340	1.6
465.39276	31.4
466.28125	1.7
466.39438	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.394
Annotation	Certonardosterol D3
Peak:m/z	Relative Intensity
52.56066	1.8
53.03965	2.1
55.05505	19.4
56.59917	1.8
57.07077	9.4
67.05496	10.8
69.07066	26.8
69.07446	2.5
69.39365	4.5
69.39764	7.0
71.08624	9.2
79.05523	5.3
80.14265	1.9
81.07053	17.5
81.07430	1.7
83.04985	3.2
83.08620	21.5
85.10217	5.2
89.06030	17.4
91.05509	6.2
93.07063	8.0
95.04948	3.8
95.08595	18.2
97.06589	1.8
97.10167	15.8
105.07041	3.2
107.08593	5.3
109.10152	11.3
111.08073	9.6
111.11710	3.8
117.07040	2.4
119.08556	11.8
121.06476	4.2
121.10183	4.9
123.04426	6.2
123.08069	4.1
123.11728	6.6
133.08640	8.8
133.10136	3.0
135.08012	2.3
135.11700	4.2
137.09621	12.5
137.13290	3.4
139.07527	25.9
145.10117	3.2
147.08072	2.3
149.13223	2.8
151.11194	5.4
153.09079	2.1
165.09097	16.9
165.12764	5.1
179.14384	3.9
183.10268	2.3
193.15881	3.8
221.15340	2.0
289.85486	2.3
292.58371	1.9
345.27841	3.4
385.29156	9.1
401.37781	8.2
429.37296	40.4
430.37534	4.2
447.38315	100.0
448.38696	7.0
465.33676	3.0
465.39380	34.3
466.39758	3.2
492.66275	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	466.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.4
51.02364	0.7
53.03930	0.5
55.01855	0.5
55.05517	0.3
61.17473	0.3
61.96376	0.3
65.03934	0.5
67.05492	1.9
69.03404	0.6
69.28633	1.7
72.54721	0.3
75.51571	0.3
77.03919	1.3
81.07050	0.7
85.02899	1.0
91.05463	1.0
93.07034	0.8
95.01287	0.3
95.04967	2.8
95.08587	0.6
97.02891	0.4
98.23494	0.6
105.03382	2.4
105.04475	0.9
105.07028	0.4
107.08558	0.4
109.10152	0.7
115.03947	0.8
119.04887	0.4
120.08112	0.4
121.06521	0.5
123.04414	100.0
124.04747	1.2
127.71838	0.3
131.04904	0.4
133.02777	0.4
135.04416	0.7
137.02333	1.0
137.05998	0.6
145.06418	0.3
147.04359	0.9
153.01793	0.5
155.04907	1.0
157.06482	0.4
159.11586	0.5
163.03903	1.0
163.05328	0.3
167.07014	0.5
173.05931	0.5
175.03934	1.5
175.07571	0.4
181.06523	0.5
183.04462	0.9
187.03902	0.4
191.03445	0.9
197.05969	0.4
201.05434	1.1
203.03378	1.1
209.05870	0.4
210.40906	0.3
211.03909	0.7
213.05457	0.5
221.04410	6.9
229.04858	2.7
232.52293	0.3
237.05290	0.4
241.04836	0.4
243.06593	0.8
255.06526	0.7
257.04474	0.6
269.04312	0.6
269.13904	0.8
271.05991	0.5
281.04462	0.5
283.06061	0.7
297.03751	0.5
299.05563	3.5
303.05026	0.4
303.12045	0.8
304.05222	1.1
304.12454	0.8
305.13470	0.6
311.05450	1.6
317.12149	0.4
393.09415	0.4
403.08109	0.7
449.08694	5.1
466.11160	1.8
466.17639	0.8
466.28391	0.9
467.18216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80895	0.8
53.03937	3.2
55.01869	1.6
55.05508	4.4
56.05044	0.9
57.03423	2.5
67.05488	2.9
69.03424	7.5
69.07062	2.8
70.06590	1.7
71.04987	3.0
73.02914	4.7
79.05470	2.6
81.03404	8.7
81.07053	5.4
83.04962	4.2
83.08617	1.6
84.04488	2.3
85.02393	1.6
85.02895	22.8
85.06538	1.5
86.03229	1.0
86.09704	1.3
87.04459	1.0
91.05462	1.9
93.05752	0.9
93.07033	4.0
95.04939	2.3
95.08582	5.0
97.02882	8.9
97.10176	2.1
99.04442	21.6
102.05536	1.0
103.03929	14.8
105.03380	1.0
105.07018	2.6
106.06532	1.0
107.04943	2.6
107.08576	4.2
109.02867	14.1
109.06516	1.3
109.10139	3.5
113.06013	0.9
115.03909	1.7
115.05421	0.8
117.05691	1.1
117.06960	1.1
118.06525	1.2
119.08572	2.6
120.08069	2.9
121.08337	1.1
121.10168	2.0
121.48915	0.8
127.03894	32.2
127.07587	0.8
129.06705	0.9
130.05016	1.1
130.06511	5.3
131.08551	1.8
132.03607	1.0
132.04424	4.3
133.05124	0.9
133.10101	1.8
134.05997	9.6
135.07977	1.2
135.11682	1.8
137.09576	2.3
143.08452	1.0
143.51785	0.8
144.04453	2.0
145.05032	10.6
145.08607	2.1
145.10008	0.9
146.05995	7.9
147.11702	1.6
148.06003	1.2
149.09595	1.3
151.11223	0.9
152.07021	1.6
156.04424	13.3
156.07961	1.4
158.05992	8.7
159.08018	1.0
159.11707	1.1
160.03920	42.0
161.04321	0.9
161.09709	0.8
164.07089	1.8
165.09076	2.0
165.12735	1.2
167.07014	1.6
169.05051	2.1
170.05984	5.0
172.03912	17.3
172.07562	3.2
173.04698	6.9
173.13164	1.1
174.05489	16.4
175.23322	1.0
176.07036	1.1
178.04964	8.8
183.06642	1.1
184.03903	19.8
184.07458	4.0
186.05472	5.1
187.05963	1.6
188.03389	1.6
188.07112	1.0
190.04971	9.5
194.06018	1.4
196.07655	1.7
198.05421	4.2
199.05981	1.3
200.03404	3.4
200.07080	2.6
202.04964	100.0
203.05290	2.8
204.02885	1.1
208.03912	2.1
212.07053	8.8
214.04961	5.5
214.08554	2.0
216.06546	2.7
218.04395	1.3
220.06013	15.8
220.08003	1.1
222.05461	1.9
224.07056	2.3
226.04945	8.1
228.02925	1.5
228.06555	1.9
229.07072	1.4
230.04382	1.2
233.15340	1.7
238.04924	1.0
240.06590	6.7
242.04454	1.2
242.08067	1.1
244.06023	10.6
245.10117	1.0
250.04903	0.9
251.16344	1.5
256.06024	3.9
257.13229	1.0
268.05991	23.0
274.07187	1.0
286.07095	10.7
287.05313	3.9
288.05765	9.7
289.06012	7.5
290.06296	8.9
304.08185	5.8
319.22659	1.7
322.09192	2.7
368.11292	2.0
370.09076	0.9
386.12338	1.0
404.13379	7.9
412.10077	2.7
430.11200	2.5
448.12216	4.0
448.27017	2.0
466.13229	21.2
466.28378	4.1
484.14590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52185	2.0
57.03423	6.8
57.32259	2.4
58.06584	6.5
58.98617	1.7
69.03425	4.3
70.06578	2.9
70.61904	3.6
71.04979	42.0
75.09231	6.7
76.09553	2.8
83.04987	6.0
85.02890	62.4
95.94814	2.2
97.02878	2.9
98.97588	4.8
111.04464	2.9
115.03960	3.1
119.69211	2.5
123.03506	4.8
123.04413	100.0
127.03899	4.0
129.05463	29.3
146.90717	2.3
147.06506	14.8
157.04950	3.5
165.05577	2.3
233.07993	2.9
239.04996	4.5
249.42310	2.2
281.43802	2.4
296.06445	14.7
304.04822	3.7
387.92706	2.2
422.13943	2.3
446.34476	2.2
448.26666	5.0
466.11032	74.6
466.27982	16.5
467.11194	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	466.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25494	0.5
57.30295	0.6
61.02910	0.8
64.81159	0.6
65.31823	0.6
67.05499	0.8
69.03427	4.8
69.35699	1.2
69.36091	2.2
71.04985	37.2
72.05315	1.3
73.02895	0.9
73.06512	0.7
79.05470	0.7
81.03394	1.7
81.07052	3.3
85.02898	4.3
85.06533	4.8
93.07015	1.7
94.07413	0.7
95.04971	1.8
97.02877	8.0
103.07619	0.6
107.08600	1.2
109.02862	2.4
113.06009	5.1
115.03926	6.2
127.03899	2.9
127.07543	17.6
128.07825	0.6
131.07019	10.0
135.11665	2.1
136.12001	1.6
137.05923	0.9
137.09619	0.6
145.08580	100.0
146.08942	1.8
153.12721	7.3
154.13048	7.2
161.05948	1.3
167.07030	1.3
168.07405	0.8
173.08066	3.2
185.08107	1.0
189.09056	1.4
190.09428	1.0
191.09120	14.3
257.10135	1.7
275.11295	1.2
299.11218	0.7
317.12289	2.6
318.14264	1.3
335.13242	5.3
344.15790	0.9
361.16336	0.8
362.16611	1.4
425.74744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01857	1.5
55.05490	1.0
57.03427	3.7
57.07060	1.5
59.04974	0.5
61.02911	1.9
65.03918	0.6
67.05149	0.5
67.05491	3.9
69.03416	6.9
69.07065	2.9
71.01347	0.8
71.04952	0.4
73.02908	10.9
79.05480	8.0
80.05811	0.3
81.03398	1.6
81.07045	100.0
82.07384	1.5
85.02890	18.5
87.04459	0.7
91.03956	0.5
93.07032	1.2
95.04952	0.4
95.08591	16.1
97.02879	14.0
99.04462	1.2
103.03916	0.6
105.61963	0.4
105.62721	0.4
107.08590	0.9
107.91715	0.4
109.02880	1.7
109.10159	1.0
115.03918	6.4
120.94179	0.4
127.03901	7.6
133.04945	10.4
133.05910	0.6
133.10197	0.4
137.13235	20.0
138.13615	0.6
145.04929	10.2
161.06038	0.4
163.06004	4.9
164.06453	0.5
193.04918	0.6
199.06061	0.4
205.05011	1.4
217.07138	0.7
223.05992	2.1
241.07033	2.2
259.08084	2.8
277.09326	0.9
295.10236	1.7
427.05960	0.5
452.25641	0.4
466.28165	1.0
471.95200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35997	0.5
53.01155	0.5
53.03930	0.9
55.01862	2.6
55.05510	1.0
57.03424	5.3
57.07043	0.7
61.02929	3.2
61.23885	0.5
67.05488	2.4
69.03413	11.2
69.07047	1.4
69.13634	2.3
69.14042	1.6
71.01328	0.9
71.04988	0.7
73.02907	18.8
75.04537	0.7
79.05480	5.6
81.03402	2.3
81.07043	100.0
82.07372	1.5
85.02892	26.8
87.04458	1.1
91.03909	0.7
91.05511	0.6
93.07039	1.2
95.04936	0.8
95.08589	9.4
97.02874	16.6
99.04447	1.6
103.03914	0.7
107.08576	1.2
109.02870	3.0
109.10131	1.1
115.03909	8.8
119.08540	0.6
127.03900	9.4
133.04947	13.6
133.10214	0.7
137.05988	0.6
137.13228	39.3
138.13544	0.7
145.04945	12.4
163.05975	7.4
180.08592	0.6
201.11253	0.7
212.97551	0.6
217.07060	0.7
223.06015	2.5
241.06937	4.7
259.08038	7.3
277.09238	1.8
295.10196	4.3
299.18466	0.7
317.19583	1.4
352.60089	0.6
448.18747	0.6
448.27335	0.7
466.27994	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	8.9
58.57608	1.3
59.05008	2.6
60.04529	1.9
67.05501	4.1
69.03423	37.7
69.39813	5.7
73.02919	4.3
79.05480	7.1
81.03404	2.3
81.07049	100.0
82.07378	2.1
85.02890	37.4
87.04453	23.0
90.91261	1.3
91.56544	1.2
93.07030	2.0
93.93502	1.3
95.08600	10.8
97.02885	31.2
99.04475	1.8
99.43361	1.3
109.02858	2.5
115.03921	46.9
120.86284	1.2
121.17397	1.6
127.03910	6.0
133.04956	42.8
137.13235	91.0
138.13596	2.4
145.04915	10.7
150.07610	7.0
163.06026	5.6
169.04945	1.4
186.00868	1.4
223.06017	1.7
241.07060	2.8
259.08093	3.8
277.09070	2.9
283.77075	1.5
295.10184	6.0
317.19504	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
57.03430	5.9
57.07064	2.3
58.23139	0.6
59.04998	1.1
60.04508	1.2
61.02916	0.7
67.05502	3.8
69.03425	19.1
69.07059	3.9
70.28518	0.5
72.91228	0.6
73.02897	0.7
75.04481	0.9
79.05488	8.9
81.07048	100.0
82.07381	1.1
83.05009	0.7
85.02895	14.5
87.04459	14.1
93.07040	1.5
95.04994	0.9
95.08593	20.8
97.02882	18.6
99.04455	1.3
105.04478	0.6
107.08569	1.1
109.10145	1.5
111.11722	0.9
115.03913	29.1
116.04294	0.8
120.25657	0.6
127.03922	2.4
133.04951	35.3
137.13239	24.7
137.14307	1.2
145.04944	3.5
150.07576	4.5
163.05963	1.3
169.04991	0.8
241.07155	1.3
259.08139	1.9
277.09253	0.9
295.10303	1.9
447.36041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	6.3
66.46761	2.8
67.05498	47.9
69.07057	5.0
71.04972	3.6
79.05482	18.2
81.07041	54.9
83.08613	10.0
88.07610	5.3
89.03915	5.4
91.05458	11.2
92.47195	3.0
93.07032	13.4
95.08596	58.8
97.06481	2.8
97.10147	6.4
98.23448	6.1
105.07011	4.0
107.08570	11.2
109.10143	27.1
111.08057	4.7
115.32507	2.9
117.03362	7.4
121.10162	13.7
123.11687	10.8
124.83368	2.8
131.08553	5.1
133.10130	13.3
135.04404	16.8
135.11674	12.3
136.43675	3.2
137.09618	7.5
137.13196	5.6
139.40520	2.6
145.02811	18.1
145.10130	4.1
149.02327	14.0
149.13211	3.7
151.11180	11.0
155.10664	6.3
159.11647	3.1
163.03877	100.0
164.04285	3.2
173.13403	3.7
181.04932	12.3
193.04932	19.2
198.02361	2.9
210.10532	2.7
215.17911	22.1
233.18945	20.4
237.07530	10.1
251.20033	64.9
252.20366	4.1
256.26321	10.2
371.71625	3.3
419.20001	3.3
450.79034	3.5
466.31427	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	466.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	22.1
57.07079	87.5
62.07616	16.3
62.48509	18.1
67.05502	34.9
69.07070	43.1
70.55348	38.5
71.08632	53.8
79.05497	16.0
81.07045	100.0
83.47752	17.3
85.10172	63.4
85.40832	16.8
89.06020	87.1
95.08627	45.6
97.10127	20.6
98.98454	50.2
101.50565	17.0
109.06519	24.7
109.10178	35.8
130.86469	16.8
133.08640	49.4
137.09630	22.1
147.27866	18.3
155.01019	55.0
313.27414	92.4
337.27399	26.4
447.38562	25.9
448.38623	87.5
466.27869	27.3
466.33347	52.6
467.31293	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	467.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69521	1.1
70.06596	1.2
71.43875	1.3
71.44279	1.2
84.08117	2.0
98.97552	1.4
107.58426	1.1
131.99237	1.1
135.09962	1.0
136.07573	2.9
269.12790	3.1
286.04224	1.1
287.13919	1.7
296.06445	2.3
305.04269	2.1
305.14954	7.0
466.27829	3.4
467.09427	100.0
467.15347	13.4
467.27612	2.4
468.09863	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	467.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19160	0.7
58.06568	0.7
66.00835	1.3
68.99551	1.3
70.06609	0.7
71.04977	0.8
71.25919	0.8
71.89648	0.7
75.60428	0.6
81.03180	1.4
82.03946	1.7
83.01093	3.8
84.01866	4.1
84.04501	1.7
85.02876	1.2
86.09711	2.3
88.32007	0.7
95.01088	12.1
96.01851	5.5
97.02843	0.8
100.62212	0.8
110.07196	1.2
111.00571	1.3
112.01340	6.5
112.04967	1.3
113.02121	17.8
119.01058	1.5
126.02902	4.3
135.00546	3.6
136.07568	1.3
139.03647	0.8
141.01654	1.1
141.05255	1.5
156.04005	1.8
157.04713	2.9
162.05498	1.1
163.03899	3.7
166.08705	0.8
167.03174	2.8
171.04430	1.8
177.01576	6.4
185.04198	18.8
192.03914	100.0
193.04517	3.1
199.03929	2.1
201.03676	6.5
201.09056	1.4
202.04453	7.7
203.05257	7.7
227.03304	1.0
257.04355	1.0
275.05524	4.3
280.12671	0.8
289.91730	0.8
297.05786	10.7
298.06555	75.0
299.07303	25.1
305.14847	1.8
466.27936	3.1
467.11597	15.1
467.18985	3.0
467.28592	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	467.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.6
58.06593	1.2
59.19012	0.6
66.00835	1.1
68.99559	0.8
70.06574	0.8
72.08133	1.7
81.03159	1.3
82.03944	1.9
83.01103	4.8
84.01861	4.4
85.02864	1.0
86.09695	2.1
91.05447	0.9
95.01071	10.1
96.01865	4.6
110.07143	0.8
111.00557	0.7
112.01318	6.5
112.04941	1.8
113.02119	14.6
119.01031	1.6
126.02863	4.1
132.08054	0.6
135.00514	1.9
136.07520	0.8
141.01611	1.1
141.05148	0.8
156.03894	1.8
157.04662	3.0
163.03885	1.8
166.53435	0.6
167.03122	1.6
177.01572	5.3
185.04190	22.8
192.03903	100.0
193.04449	3.0
201.03650	6.7
202.04459	9.1
203.05231	8.0
269.12912	0.6
275.05463	3.3
297.05756	12.2
298.06546	75.4
299.07297	26.9
300.07925	0.8
305.14737	0.6
448.26978	0.6
449.27301	0.7
466.27924	4.5
467.11569	11.6
467.18567	0.9
467.21497	0.8
467.28424	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	467.152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04063	0.6
56.96558	0.7
70.06576	1.5
71.05990	0.7
81.03405	0.7
85.02871	1.1
85.92136	0.6
93.87378	0.6
96.06984	0.6
98.97554	1.2
104.41383	0.6
108.08102	1.2
110.05995	1.0
110.09678	0.6
119.07304	0.7
120.08066	2.3
122.06065	0.7
124.07549	1.4
136.07558	8.9
146.06003	0.7
148.07568	0.8
150.56554	0.8
164.07040	3.6
198.11418	0.8
199.73944	0.6
201.10156	0.8
225.10204	1.0
226.10881	1.3
241.09705	0.9
241.13319	4.7
259.14395	5.2
269.12833	8.7
287.13867	7.7
288.14459	0.9
305.11368	1.2
305.14908	23.9
306.15121	0.9
318.15225	0.7
467.15198	100.0
468.15247	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	467.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.96564	0.4
58.64103	0.2
68.99475	0.2
68.99823	0.5
69.07058	0.6
69.85789	0.7
76.22451	0.2
81.07038	0.4
83.04974	0.6
91.05470	0.4
96.92224	0.4
99.04478	0.2
101.57059	0.2
108.95364	0.2
109.10128	0.3
119.04911	0.3
121.02855	0.5
140.72058	0.2
147.04381	0.4
149.01210	0.3
149.02338	3.6
149.03430	0.4
153.05470	0.3
164.04668	12.9
165.05083	0.4
175.03909	0.5
177.01810	11.9
191.03421	0.2
192.04146	36.9
193.04555	0.8
205.04915	0.5
207.06493	100.0
208.06784	2.3
262.26236	0.2
264.73590	0.2
277.85980	0.2
285.01462	0.2
315.16220	1.0
324.06055	0.4
325.06900	0.2
333.17389	1.4
339.08484	0.7
351.18546	0.4
367.08200	0.4
371.49792	0.2
399.10672	3.7
407.21445	0.2
423.18463	0.2
424.03580	0.2
467.17047	5.1
468.17557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
60.44122	1.3
68.19489	1.2
69.03426	2.5
69.44587	4.9
70.06583	2.3
71.04994	9.5
72.05324	1.7
79.05472	1.3
81.07028	1.1
85.02887	3.2
85.06530	2.5
91.05464	2.0
93.07044	3.2
95.04964	2.3
97.02886	2.5
108.08088	1.7
109.02908	4.0
120.08102	1.3
121.10082	1.3
122.06018	3.4
124.07590	6.6
126.05530	1.6
127.03882	1.8
127.07538	3.6
131.07040	3.4
136.07553	89.3
137.07965	1.2
140.07065	1.6
145.04970	1.4
145.08583	26.1
146.08920	7.7
151.22166	1.2
152.07039	22.8
157.12154	1.8
164.07040	100.0
165.07413	3.5
167.07022	3.1
176.55597	1.4
182.08139	4.0
191.09235	2.0
191.44936	1.3
212.09061	1.6
224.09143	1.7
275.05396	1.7
287.13846	23.3
305.15176	2.5
326.12427	1.4
340.94510	1.3
347.15988	4.6
395.15903	2.7
413.16812	1.9
431.17941	2.9
467.17844	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67525	0.9
56.96560	23.6
57.84584	0.8
57.92305	0.8
63.56964	0.8
67.05472	0.8
69.30364	0.9
71.95266	1.9
72.33490	0.8
81.07019	0.9
93.07037	0.8
96.09111	1.0
96.09684	1.0
111.02772	0.8
124.03832	0.9
128.98639	1.1
137.02718	1.4
213.08086	1.7
223.10161	2.8
231.09138	1.2
235.09953	1.8
241.11075	35.6
251.09482	1.2
253.11082	66.4
254.11452	1.6
259.12134	39.4
259.14871	2.0
260.12357	1.2
264.12555	1.1
269.10587	3.8
271.12125	100.0
272.12415	2.8
276.12527	1.1
277.13129	0.9
282.13754	1.7
287.11621	1.0
289.13135	4.2
294.13708	5.4
351.18491	3.2
360.27768	1.0
369.19427	9.0
387.20441	4.5
467.19791	1.2
467.26822	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	467.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66858	1.8
55.05493	5.4
57.03431	14.3
57.07069	36.5
67.05501	11.3
69.07049	6.2
71.08636	23.9
74.90658	1.7
81.07041	13.3
83.08601	9.7
85.10177	13.5
89.06010	6.1
91.05455	6.1
93.07018	2.9
93.12800	1.6
95.08593	20.3
97.10160	4.4
98.98460	50.1
99.11740	1.8
109.10136	8.6
123.11700	2.8
124.93798	2.4
133.08592	2.5
133.10107	10.1
136.99979	3.7
137.84848	2.0
138.01505	2.1
155.01022	59.1
156.96371	2.1
229.04564	2.1
239.23676	6.0
283.17505	4.0
313.27338	100.0
313.67352	2.1
314.27893	4.7
321.22693	3.4
349.67990	2.2
393.23895	2.7
449.26474	13.9
467.21280	5.6
492.00259	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	468.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69986	1.5
57.14786	1.4
57.74562	1.5
58.90044	1.4
63.65676	1.9
67.05492	3.5
68.99777	4.4
73.18240	1.4
79.16267	1.6
82.36246	1.5
83.41242	1.5
85.02912	4.7
95.04964	7.7
97.02881	1.8
98.97592	2.6
109.10985	1.5
110.97518	1.6
111.00811	1.8
111.04425	2.9
116.15965	1.4
119.04932	3.7
122.50838	1.5
123.04411	100.0
127.03919	2.1
131.04906	3.3
133.06410	1.6
135.04462	3.6
139.03877	45.1
146.05978	6.0
149.05971	2.1
151.03867	11.4
155.03363	15.7
159.04396	9.7
161.05879	1.5
163.03883	20.6
163.05165	2.5
165.05446	2.7
167.07013	2.0
173.05914	2.1
174.05415	2.4
177.05481	5.1
185.06018	1.9
187.03900	5.6
188.07115	3.7
197.05965	3.7
201.05382	2.7
212.43448	1.5
215.07175	1.6
216.06352	1.9
225.05408	2.1
229.04927	2.4
237.00833	1.6
243.06451	2.5
253.05060	1.7
257.51450	1.5
271.05753	3.3
289.07010	70.6
290.07404	3.2
306.09821	2.7
307.07858	2.1
426.07162	2.2
468.14780	13.6
468.29492	2.3
469.13013	1.6
472.91089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01842	0.4
55.05506	2.4
57.03416	1.1
59.04979	1.5
64.78299	0.3
69.03071	0.3
69.03423	4.6
69.07065	0.5
70.06583	0.9
71.04983	2.1
72.08139	0.3
73.02888	1.0
79.05502	0.3
81.02952	0.5
81.03403	4.2
81.07058	0.4
83.04963	4.9
85.02892	6.6
87.04447	0.6
87.41470	0.3
93.07016	0.3
96.44310	0.3
97.02874	5.7
99.04423	1.5
101.06005	1.2
107.08538	0.3
109.02870	3.5
109.10126	1.2
115.03922	0.8
121.10126	2.0
127.03900	4.7
127.11194	0.9
132.03514	0.5
132.04420	5.9
133.04890	0.4
139.11136	1.5
144.04428	4.2
145.04930	2.6
157.12234	3.3
160.03877	0.4
178.04964	58.8
179.05269	1.0
187.05991	2.1
206.04456	100.0
207.04782	2.1
227.09087	1.0
245.10165	0.5
287.13846	0.5
306.09665	0.4
306.20547	0.5
432.90231	0.3
450.13879	0.4
468.09915	0.9
468.15536	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	468.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43549	3.1
55.05509	13.3
57.03426	26.4
57.07068	15.2
69.03426	93.0
69.07067	14.0
81.03426	6.7
81.07053	11.8
83.04977	4.6
83.08620	42.7
85.02900	79.8
87.04456	59.8
87.04948	5.7
91.05404	4.1
93.07034	6.1
95.08579	7.5
96.94975	3.6
97.02886	62.7
97.10179	7.0
99.04454	4.3
99.80249	3.7
105.07001	5.4
107.08601	4.5
109.02883	4.3
111.08058	3.6
115.03924	100.0
121.10049	5.2
127.03876	10.8
133.04951	96.9
145.04970	9.6
150.07626	13.3
157.15865	39.9
185.47284	3.5
202.68625	3.2
211.05856	3.2
235.16922	5.2
253.17981	6.7
283.89453	3.3
288.91336	3.6
420.49478	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	468.3082
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.29896	0.8
56.05022	1.4
57.07072	4.4
57.78036	0.8
57.92746	0.9
58.06600	1.7
60.08154	16.7
69.07060	0.9
71.07367	7.5
71.08618	2.1
81.07046	1.5
84.91096	0.8
85.10166	1.3
86.09694	47.2
95.08586	2.0
97.60867	0.8
98.98444	3.6
104.10731	100.0
124.62901	0.8
124.99982	28.0
129.45505	0.8
132.92581	0.8
136.24768	0.8
184.07320	92.4
185.07706	1.1
236.20770	0.8
258.10971	1.7
285.24292	2.4
450.29730	9.8
468.30792	22.7
469.31152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.1
57.03433	4.0
57.07070	69.0
59.37609	2.4
62.06080	23.5
67.05508	5.1
69.07047	7.4
69.17012	3.7
69.17426	10.7
71.08624	54.2
73.06524	3.5
78.46346	2.0
81.07043	7.8
83.08597	6.8
85.10177	33.6
89.06021	79.1
91.05505	1.9
95.08614	10.4
96.92223	2.5
97.10159	4.2
97.94507	2.0
98.03628	1.9
98.98437	7.3
99.11707	8.1
103.99927	2.1
107.07065	3.1
109.10119	2.8
111.11731	3.5
113.13248	4.7
117.09108	2.7
119.08710	1.8
124.01492	1.8
133.08595	50.0
135.10124	2.3
155.01042	9.0
169.19626	1.9
177.11191	18.0
216.06296	4.1
218.07372	2.2
221.13768	2.0
227.47464	2.4
228.78667	2.0
239.14847	2.4
257.24576	2.5
283.17480	27.0
296.29413	10.2
301.27423	2.6
327.28903	100.0
328.29178	4.7
407.25275	5.7
451.36307	24.3
454.66211	2.1
468.30075	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	468.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52587	3.0
55.05505	11.9
57.03419	9.0
57.07066	10.1
67.05494	44.6
69.07073	7.0
70.24564	3.5
71.04979	28.0
71.08614	7.6
79.05474	29.8
81.07045	38.7
83.08592	4.3
89.06023	45.2
91.05479	11.3
93.07043	20.7
95.08616	28.2
99.04440	100.0
105.07023	9.5
107.08574	12.6
109.10139	15.0
119.08569	5.4
121.10118	6.5
124.93778	4.6
131.08543	4.1
133.08583	20.4
133.10089	6.8
135.11673	5.9
147.11694	3.3
154.71594	3.0
155.41728	3.5
173.08054	18.2
173.13332	3.7
177.11272	5.2
257.49597	3.4
261.22153	8.7
283.17557	14.1
335.25769	98.9
336.26202	5.4
433.29480	19.9
437.20456	6.4
465.57455	3.2
468.29330	8.4
469.23090	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	468.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99144	1.9
53.64979	1.6
54.18958	1.9
55.05486	5.4
57.03414	3.0
57.07066	72.2
62.06099	8.9
67.05488	4.6
69.07058	9.6
71.08622	55.5
73.06538	4.5
81.07034	3.9
83.08597	7.0
85.10165	36.9
87.04441	3.6
87.22243	1.8
89.06014	100.0
93.07008	2.4
95.08584	7.5
97.10134	6.3
98.98437	8.5
99.11722	11.1
107.07043	1.9
111.11679	5.6
113.13257	3.8
117.09044	2.2
133.08585	53.6
155.01006	7.4
177.11174	21.3
182.26070	1.9
195.12244	3.4
221.13806	3.5
239.14824	5.4
257.24710	6.8
283.17435	26.2
296.29523	4.1
301.27139	4.3
314.27499	13.3
327.28848	40.2
407.33472	2.1
451.36246	25.4
469.22882	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	469.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
69.03416	1.1
69.34779	0.8
69.35175	0.9
72.98694	0.3
83.79418	0.3
85.02887	0.9
88.89757	0.3
97.02900	0.5
102.89168	0.3
108.94796	0.3
137.05995	0.6
143.64032	0.3
175.03607	1.6
179.77728	0.3
229.06845	0.4
307.15115	1.1
317.08377	9.2
317.11871	0.6
337.09036	0.6
469.13113	100.0
470.13416	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	469.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.0
69.03402	0.5
70.06576	0.5
71.41070	0.5
72.66026	0.4
73.02894	1.6
85.02908	0.4
85.73686	0.4
95.04954	0.7
100.11236	0.8
101.22475	0.4
123.04421	0.8
131.07018	1.5
137.05928	0.9
175.03641	1.6
181.63805	0.4
183.06520	0.8
185.04170	1.5
185.05733	0.4
229.06766	1.8
232.07059	1.5
289.12839	0.6
317.08398	14.8
337.08716	1.7
352.61551	0.4
388.49014	0.5
409.16858	0.5
433.31680	0.6
437.10645	0.9
451.32578	1.2
469.12973	100.0
470.13364	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	469.1676
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
62.75107	0.3
69.03428	0.6
70.06557	0.3
71.45341	0.3
73.02879	0.3
73.67285	0.3
76.37129	0.3
78.33064	0.3
81.03169	0.3
82.03943	0.6
83.01096	1.0
84.01868	0.7
84.16517	0.3
87.83099	0.3
95.01080	2.9
96.01857	1.2
103.53692	0.3
111.04328	0.3
112.01359	1.5
113.02105	3.8
123.04424	1.0
126.02882	0.6
130.30997	0.3
137.05980	0.5
139.03827	0.8
157.04652	0.5
161.05949	0.5
163.03914	0.4
167.03146	0.7
179.05234	0.4
185.04187	5.4
201.03697	1.3
202.04373	0.5
202.06142	0.5
203.05257	1.0
206.04385	0.4
217.04695	2.1
228.07481	0.6
232.07024	15.8
233.07614	0.9
243.08514	0.6
246.28560	0.3
259.07843	2.9
260.05710	0.3
275.08807	1.6
276.43845	0.3
299.05450	0.3
307.11584	0.4
331.09454	0.5
438.15131	2.5
439.15494	1.5
469.16724	100.0
470.17099	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	469.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48343	1.3
64.87265	1.4
67.05487	2.0
69.92494	3.3
69.92823	1.7
81.07055	2.2
83.06078	1.5
84.04491	1.9
89.56475	1.3
91.05446	1.8
91.07865	1.6
93.07020	2.8
95.04947	2.2
95.08585	2.7
107.08541	1.8
109.10135	2.1
121.10164	1.7
123.11650	1.7
129.06583	2.0
130.04959	3.8
137.05933	2.2
143.07002	1.7
147.07629	4.3
228.02315	1.4
307.12512	27.4
350.48563	2.0
419.07712	1.6
469.18335	100.0
470.18710	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	469.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
53.37895	0.7
54.54087	0.8
55.05511	9.1
57.03437	7.4
57.07073	0.8
58.06578	1.0
60.19207	0.7
65.03918	1.2
67.05499	32.7
69.07061	9.8
69.79889	1.9
71.04974	1.4
79.05043	1.1
79.05486	18.0
80.21323	0.7
81.06563	1.3
81.07048	26.9
82.97926	0.7
83.04977	1.0
83.08604	2.4
87.17945	0.7
91.05471	9.1
93.07036	18.6
95.04974	3.5
95.08599	18.1
97.06509	0.9
105.04459	0.8
105.06371	0.7
105.06980	3.5
107.08564	7.3
108.08948	0.8
109.06503	0.7
109.10139	6.3
117.07024	1.0
119.08578	3.1
121.10083	6.0
123.11701	1.7
131.08569	2.8
133.10123	1.5
134.98170	100.0
135.11717	1.5
145.10097	1.6
147.11694	1.1
149.13246	0.7
152.99236	2.0
153.57776	0.7
170.99013	1.5
173.13161	0.8
176.00777	0.9
189.00127	2.3
209.01857	2.8
227.01610	1.9
301.20108	1.2
335.25766	37.3
336.26157	1.7
357.23975	16.4
367.95535	0.8
375.24896	1.8
420.79257	0.7
437.20236	1.2
451.21964	1.0
469.23196	52.6
470.03787	0.7
470.23334	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	469.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47070	1.2
56.96283	2.4
56.96563	37.9
62.54498	1.1
67.05492	1.8
67.07779	1.1
71.95258	1.2
74.97605	1.3
79.05514	1.2
81.07044	2.4
87.35153	1.1
88.28175	1.2
93.07021	1.9
95.08594	3.1
96.80205	1.2
97.96773	1.5
98.22691	2.5
98.51019	1.1
98.91936	8.1
109.10145	1.2
110.97583	1.4
115.00717	2.3
115.97836	1.1
119.08564	2.1
123.01205	1.3
128.98575	3.0
134.98180	4.5
137.02742	2.4
146.99619	2.3
155.03801	1.8
159.03270	1.8
159.11617	1.1
171.03253	1.3
189.07910	2.9
195.06876	1.4
197.08328	1.1
203.09425	1.2
207.08905	1.9
213.07965	5.5
217.07491	1.5
223.09955	1.1
225.07947	2.0
227.09488	1.8
229.11855	1.1
231.09036	4.1
239.09445	8.9
241.11145	6.5
243.12651	1.5
245.10565	2.7
253.11087	21.6
257.10556	5.7
259.12204	6.1
259.73190	1.1
269.10571	11.1
271.12201	8.6
276.12793	1.5
287.11624	5.0
292.11932	1.3
305.17902	3.0
307.19156	1.5
317.17950	4.0
323.18893	6.4
325.44730	1.2
335.18887	49.2
335.25171	2.1
336.19098	1.9
353.19965	100.0
354.20279	5.6
358.20386	1.7
371.21109	8.6
376.21655	11.2
409.22562	10.8
452.42929	1.2
469.33401	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	469.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01859	6.1
55.05503	31.8
55.59959	2.2
57.03423	8.4
57.07071	19.8
58.19880	2.6
58.28828	2.4
60.95532	2.2
67.05482	7.1
69.03424	20.7
69.07062	28.1
70.06580	3.0
71.04982	2.6
71.08619	3.8
72.62566	2.4
73.02918	12.3
79.05481	7.8
81.03407	13.1
81.07058	15.8
83.04970	4.2
83.08611	91.8
84.04498	5.8
84.08159	3.2
85.02896	26.2
85.06541	2.4
86.43436	2.4
86.49526	2.5
89.03902	9.5
91.05487	7.3
93.07027	7.4
95.04964	5.6
95.08601	10.6
97.02898	18.3
97.06522	5.9
97.10157	31.9
98.09679	3.8
98.97594	3.0
99.04431	6.0
100.11250	4.0
105.07019	8.3
107.04929	3.2
107.08581	9.3
109.02844	4.8
109.06499	4.3
109.10139	8.9
110.07133	2.9
113.10989	2.7
115.03934	5.3
117.03365	9.1
119.08550	7.2
121.10148	5.3
123.11692	5.8
124.07513	3.3
125.09625	2.5
127.03886	7.3
128.07048	2.7
130.05031	3.1
130.06511	5.0
133.04967	4.1
133.06529	4.1
133.10129	5.0
135.04384	23.9
135.08055	2.8
137.09676	3.0
145.02850	12.9
145.04958	7.7
145.10139	4.9
147.09172	3.4
157.10104	2.5
157.15858	74.4
159.11647	4.2
163.03888	100.0
173.02303	3.5
175.16933	13.1
191.08142	22.7
210.14807	4.0
215.07005	6.6
237.10939	4.6
251.88042	2.3
277.10608	7.8
307.12323	16.6
307.15518	6.7
307.18765	3.6
308.09149	3.6
308.12982	2.5
399.16293	5.8
409.15164	5.0
469.13864	5.6
469.19882	44.4
470.14099	6.7
470.20334	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	469.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.01863	11.9
55.05504	24.3
57.03431	29.0
61.02917	75.0
64.53345	4.6
67.05490	88.1
69.03423	55.1
69.07050	19.5
71.01344	8.7
71.04974	11.6
73.02895	40.3
79.05476	91.1
79.86900	4.4
81.03398	27.1
81.07037	100.0
83.04952	5.5
83.08611	14.0
85.02888	78.6
89.10695	5.1
91.03944	38.7
91.05465	47.7
93.07031	87.0
95.04966	17.7
95.08586	68.5
97.02865	63.4
97.06487	8.7
101.02375	14.4
103.03923	16.8
105.07008	39.0
107.08572	40.9
109.02847	12.7
109.06523	7.2
109.10123	30.1
111.04437	6.3
111.08072	5.8
117.06990	14.1
117.82028	5.1
119.08554	26.1
121.06540	6.2
121.10128	50.4
122.26712	5.0
123.08047	11.8
123.11666	7.2
125.09574	6.7
126.82430	5.5
127.03915	23.9
129.05478	9.8
129.06978	12.8
131.08572	25.5
133.06451	6.7
133.10100	27.8
135.11664	26.9
137.09647	7.5
143.08580	9.6
145.04982	10.6
145.10089	21.9
147.11685	21.1
149.13261	16.6
151.11096	5.8
157.10219	8.9
159.11696	20.5
161.13258	5.5
163.11188	7.0
171.11627	6.8
173.13286	14.9
177.12752	6.4
183.30815	5.7
189.12636	4.9
213.16365	6.3
215.17972	12.8
219.99393	4.8
233.18961	11.0
277.98230	4.6
307.22629	64.9
339.03088	7.1
378.32773	5.3
469.27710	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	469.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01863	3.6
55.05503	13.9
56.05028	2.9
57.07060	4.4
57.51387	1.2
67.05154	1.8
67.05498	25.5
69.03418	4.9
69.07061	21.6
71.04976	1.2
73.51519	1.2
79.05479	18.3
81.03430	1.2
81.07046	60.6
83.04983	2.7
83.06092	18.3
83.08625	7.8
84.04494	65.2
85.02914	2.1
85.06519	4.7
91.05470	9.9
93.07037	25.3
95.04950	7.6
95.08593	46.9
97.06511	3.9
97.10146	5.4
99.04449	1.9
101.07126	11.6
102.05521	3.7
105.04488	1.7
105.07007	11.9
107.08580	25.5
109.06509	4.1
109.10136	33.6
111.04421	4.6
111.08041	2.2
111.11715	1.9
119.08558	10.2
121.06474	2.9
121.10134	20.0
123.08077	1.5
123.11707	16.7
125.05945	6.8
125.09596	2.3
129.05835	0.7
129.06578	56.0
130.04984	92.7
131.08540	3.2
133.10130	7.9
135.08049	2.4
135.11687	8.4
136.07547	1.5
137.09653	2.2
137.13261	6.3
139.11082	1.4
143.08563	2.3
145.10048	2.9
147.07623	100.0
147.11639	7.8
149.02362	1.3
149.09552	1.6
149.13248	12.7
151.11177	2.6
151.14732	1.2
153.09077	2.2
157.10139	2.1
159.11681	3.8
161.09578	1.9
161.13234	4.8
163.11180	3.4
163.14803	6.4
166.08659	1.9
167.10687	2.8
173.13258	1.9
175.14810	2.2
177.12730	1.6
177.16389	4.1
189.16348	4.0
193.12169	1.5
195.13770	1.9
203.03360	2.2
203.18022	2.0
209.04448	3.1
213.16161	1.8
222.07539	1.7
259.24225	2.3
277.25308	4.2
287.23608	4.8
305.24539	4.9
307.15280	2.1
362.09998	1.3
411.07504	1.7
411.40265	1.4
416.28268	1.7
434.29138	6.7
451.31528	24.5
469.10941	3.4
469.33090	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	470.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01837	0.7
55.05499	1.0
57.03429	48.6
67.05497	0.7
69.03421	3.6
69.77396	1.6
70.06574	2.1
71.04979	0.9
73.02877	1.2
79.05483	0.8
81.03403	4.8
81.07027	1.6
85.02892	4.2
85.06529	1.1
86.09698	1.0
89.06007	1.8
91.05411	0.5
91.28109	0.6
93.07047	0.8
97.02875	5.1
97.93848	0.6
98.23383	0.7
99.04444	9.7
99.08069	1.1
100.11241	3.2
108.23247	0.5
109.02866	2.8
109.10152	0.8
110.90220	0.5
113.05964	0.8
113.09607	0.5
115.03902	2.3
117.05473	11.6
117.09093	0.7
123.04391	0.8
127.03888	3.3
131.07019	100.0
132.07365	1.1
133.04918	0.9
136.07614	0.5
137.09648	0.6
140.81712	0.5
141.05461	1.3
144.06558	0.6
145.04945	2.7
159.06488	6.1
159.10164	1.1
177.07556	11.9
177.09004	1.1
177.11194	0.6
179.03331	5.4
187.07558	0.5
210.14862	0.8
243.08568	0.8
250.29189	0.6
285.09711	1.0
291.10660	0.8
303.10794	3.1
308.08920	0.8
308.22162	1.0
318.08789	0.9
321.11682	4.0
339.14081	1.3
431.80444	0.7
452.32663	0.8
470.13354	10.3
470.20526	0.6
470.23260	1.1
471.18298	12.2
471.35196	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15347	1.4
53.15651	1.3
69.64968	3.4
69.65356	3.4
70.38818	1.4
73.43714	1.4
75.44277	1.6
76.12730	1.4
78.87864	1.6
91.10364	1.5
95.64145	1.6
98.22792	2.5
112.73966	1.5
115.05451	2.6
117.05813	1.8
117.06995	1.6
118.06536	24.4
129.06979	6.6
132.08078	6.7
141.06929	1.7
143.07329	1.9
144.08078	13.0
146.05980	65.0
147.06400	2.0
149.05963	2.3
151.21269	1.5
157.06483	6.2
159.09195	4.2
167.32164	1.6
170.06030	5.4
174.09145	1.9
185.05966	6.6
188.07043	100.0
189.07401	2.7
202.08624	7.2
203.07051	10.0
205.09692	37.6
213.05417	4.9
230.08066	7.4
231.06757	1.9
249.07654	1.8
266.10269	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	470.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06355	4.9
54.91603	5.4
55.01873	10.1
55.05507	17.4
57.03421	23.4
57.07067	15.2
59.05009	8.7
61.02914	6.4
61.90298	4.8
66.54089	6.0
67.05498	19.9
69.03425	55.6
69.19875	21.8
69.20277	10.9
70.06587	12.4
71.04987	47.6
71.73375	4.9
73.02912	42.2
79.05463	8.4
81.03409	21.5
81.07045	38.4
82.06556	5.6
82.07397	5.4
83.08627	6.2
85.02892	100.0
85.06520	12.7
86.09710	15.0
89.06008	14.3
91.05463	13.3
93.07049	9.0
95.04932	7.8
95.08577	8.9
97.02869	58.4
97.06515	8.6
98.09657	14.2
99.04448	13.4
99.08095	7.4
100.07607	10.7
100.11260	17.5
103.03949	7.4
105.07040	5.7
109.02852	18.2
109.10116	10.4
110.23846	4.8
111.04436	13.0
115.03939	26.1
116.10712	6.9
119.08589	7.1
123.11702	32.8
127.03904	37.4
128.07100	7.9
130.05775	6.4
132.04445	7.1
133.04970	34.7
133.10121	8.0
137.09579	6.7
141.12724	90.5
145.04929	37.4
158.09566	6.1
159.13770	30.5
160.03934	19.4
163.06023	15.8
164.06987	6.0
165.09052	10.3
174.05498	15.7
178.05008	8.5
182.15388	16.8
183.15695	8.0
192.06543	24.7
193.04936	87.6
198.14856	12.8
199.15166	11.4
202.04939	27.6
210.14941	17.4
211.15236	13.7
223.06094	10.3
226.14430	17.9
227.14655	6.6
249.10165	5.5
259.08139	23.9
268.05948	7.1
295.10117	17.1
308.15646	6.9
337.21283	8.4
338.21429	9.1
354.24216	7.1
355.24084	11.0
452.32257	7.7
453.31308	10.7
470.16431	25.5
470.23788	6.8
470.33963	21.9
471.21161	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	470.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.05498	21.6
56.04992	2.7
57.07066	6.4
67.05493	38.8
69.03416	8.0
69.07052	35.1
69.20652	11.3
69.21061	5.6
71.04993	4.4
77.32096	2.3
79.05480	22.3
81.07047	100.0
83.08609	14.0
83.56396	2.9
84.04494	48.9
85.02872	5.2
85.06527	8.1
91.05463	11.5
93.07027	34.8
95.04930	8.4
95.08019	4.9
95.08591	79.0
97.02921	3.2
97.06519	6.8
97.10138	8.0
98.23566	3.9
99.08073	2.7
102.05541	17.9
105.07015	24.8
107.08578	55.1
109.06505	7.6
109.10140	53.9
111.04432	5.5
111.08057	4.5
111.11692	5.5
115.03916	3.7
119.08530	17.2
121.06491	6.3
121.10119	36.4
123.08083	3.9
123.11685	29.2
125.05968	8.5
125.09600	2.7
130.04968	30.0
133.10104	17.1
135.08084	5.5
135.11702	23.3
137.09572	5.4
137.13199	16.6
139.07550	4.0
145.10139	6.7
147.11652	10.4
148.06020	94.1
149.09599	4.3
149.13237	20.8
159.11662	9.3
161.09581	4.8
161.13225	7.9
163.11154	5.9
163.14799	11.2
165.09088	6.5
171.11644	3.7
175.14752	4.3
177.12766	5.1
177.16371	7.9
189.16402	6.5
195.13870	4.0
213.16386	5.1
231.17393	2.8
259.24341	4.3
269.22668	3.7
277.25198	7.3
287.23596	7.7
305.24704	10.0
371.03116	2.8
452.30017	30.5
470.23276	4.1
471.13348	4.2
471.26273	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	470.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.4
67.05497	28.6
69.07051	11.4
71.04977	21.1
72.04500	57.6
79.05486	10.2
81.07050	32.2
83.08602	6.6
91.05491	7.3
95.08600	23.4
99.04448	60.3
100.59341	6.6
100.97443	6.9
109.10135	8.1
173.08086	14.8
207.08342	15.1
214.93451	7.0
235.07852	14.9
279.22128	6.8
311.83789	7.8
337.27301	100.0
354.20615	7.8
392.76883	7.8
410.26938	13.2
435.30862	37.1
470.23187	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	471.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64572	0.3
53.07434	0.4
57.03424	0.4
58.70876	0.4
69.76830	0.7
69.77194	0.7
71.04896	0.5
72.08766	0.3
81.07040	0.4
84.08122	0.5
84.63201	0.4
85.02890	0.5
86.09681	0.5
95.08582	0.5
98.22681	0.4
100.11253	0.6
121.06492	0.5
131.70389	0.4
137.05980	0.6
140.35448	0.4
152.07050	1.5
175.78745	0.4
181.16599	0.4
181.91048	0.4
182.15437	0.6
210.14920	0.7
213.07237	0.4
222.14998	0.4
281.06311	0.7
299.07370	1.6
309.08884	0.4
309.16599	0.6
341.08438	2.0
403.45770	0.5
411.12488	6.5
471.14697	100.0
472.14871	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	471.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05497	2.5
57.03433	8.9
61.58024	1.3
65.32014	1.1
66.75462	1.2
69.03409	4.0
70.06591	1.4
71.04988	58.0
75.04474	5.2
77.11203	1.2
79.05461	2.0
81.03424	3.0
83.04983	3.7
85.02899	73.9
86.09708	1.5
89.03913	5.5
91.05479	2.9
95.08610	2.6
97.02901	3.5
105.07018	1.5
109.10168	1.6
111.04429	2.4
115.11195	1.3
117.03361	5.0
119.04915	4.3
119.08591	1.4
121.10122	2.2
127.03918	4.1
127.42760	1.3
129.05470	19.0
132.30444	1.2
135.04402	11.8
137.09656	1.5
145.02811	10.8
147.04396	28.1
147.06514	3.8
163.03889	100.0
181.04936	2.0
215.07001	3.6
233.07993	3.3
255.67664	1.4
307.08081	1.7
309.09647	2.1
325.09100	15.0
470.37943	1.6
471.15198	1.7
471.21722	6.2
471.26871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75494	0.3
54.52406	0.3
55.05494	1.1
69.03375	0.3
70.03393	0.8
70.06559	0.7
76.88579	0.3
82.03949	0.4
83.01051	0.6
83.08585	0.5
84.01875	0.7
84.08111	0.4
85.02893	0.6
86.09670	0.5
95.01090	2.2
95.04925	0.4
96.01855	0.8
100.11238	4.2
103.38533	0.3
111.04380	0.6
112.01329	1.1
113.02110	3.1
123.04396	0.4
124.25841	0.3
126.02882	0.6
128.07057	0.3
133.02824	0.7
139.03882	0.8
141.05200	0.4
147.04381	0.6
156.03824	0.4
157.04732	0.9
163.03874	1.1
167.03156	0.7
179.03368	0.4
182.15364	1.4
185.04172	4.3
189.05171	1.4
201.03711	1.0
203.05254	1.1
209.16388	0.6
210.14804	1.5
219.06219	3.3
234.08586	17.3
235.09224	1.1
243.08278	0.5
252.09575	0.3
259.07813	2.8
276.43369	0.3
277.10455	1.9
309.13025	0.7
411.18552	1.3
440.16412	0.5
441.17261	2.3
471.18243	100.0
471.35226	5.4
472.18738	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	471.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29865	0.4
51.13562	0.4
69.99159	0.5
69.99468	0.9
70.06575	1.3
78.02670	0.4
83.01097	0.6
84.01859	0.9
84.08125	0.6
85.02864	0.5
86.09696	1.2
87.12415	0.4
95.01093	2.0
96.01871	0.7
98.22812	0.5
105.16015	0.4
105.26160	0.4
112.01334	0.9
113.02119	1.9
129.10217	0.5
131.64325	0.4
157.04781	0.6
167.03134	0.8
173.67635	0.4
177.39905	0.4
185.04179	3.9
189.05261	1.4
201.03752	0.9
203.05132	0.9
219.06267	2.5
234.08603	16.0
235.09247	1.2
243.08376	0.5
252.58670	0.4
259.07883	3.0
277.10547	1.7
309.12897	0.4
396.13907	1.2
411.18234	0.5
440.16553	0.7
441.17349	2.3
471.18320	100.0
472.18604	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	471.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34866	0.5
52.86690	0.5
53.03925	1.3
55.05494	1.9
57.03414	0.6
65.03925	0.5
67.05498	4.2
69.03421	2.9
69.07045	1.8
70.06577	0.9
71.04978	1.6
72.60509	0.5
79.05470	1.8
81.03407	7.2
81.07047	6.7
82.93456	0.5
83.04943	0.8
83.08611	0.6
84.04465	1.3
85.02889	1.7
86.09663	0.6
91.05463	2.1
93.07028	2.3
95.04955	1.2
95.08579	3.4
95.57001	0.5
97.02888	1.2
97.10146	0.8
99.04433	1.4
105.07015	2.0
107.08598	3.1
109.02847	3.3
109.06515	0.9
109.10143	6.9
111.04416	0.8
111.08062	0.5
117.03391	0.5
117.07045	0.7
119.08549	2.3
121.10133	2.1
123.11722	0.8
127.03909	2.4
130.05000	0.7
131.08499	0.7
133.10075	1.2
135.11641	1.1
137.05975	0.9
137.09586	8.7
143.08554	1.0
145.10078	1.0
147.11697	1.0
148.05992	1.1
149.09601	1.3
149.13321	0.5
151.11208	0.5
157.10127	0.8
159.11621	0.6
163.03853	2.5
165.09097	13.3
170.39456	0.6
171.11723	0.9
173.09659	0.6
175.11200	0.8
201.03696	1.1
203.05237	1.8
275.07468	1.8
286.33618	0.5
333.07861	59.9
334.08170	1.3
335.09421	33.4
336.09973	0.9
453.17841	1.0
471.21872	100.0
472.22220	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	471.2199
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
52.64238	0.4
55.05505	0.9
67.05489	1.1
69.07056	1.4
69.80665	1.6
70.06589	0.5
79.05475	1.3
80.79134	0.4
81.03400	0.9
81.07050	2.5
83.04980	0.7
85.02861	0.8
86.09702	1.1
91.05443	0.6
93.07023	1.0
94.82550	0.4
95.04954	0.5
95.08587	1.8
97.02885	0.6
99.04474	0.5
105.07027	1.0
107.08587	0.9
109.10146	1.8
115.05389	0.4
119.08605	1.1
121.10158	1.0
123.04424	0.5
123.11652	0.5
126.35545	0.5
127.03923	0.5
132.64868	0.4
133.10138	0.6
135.11659	0.6
137.09622	1.3
144.43317	0.4
145.10110	0.6
147.11650	0.6
149.13194	0.5
165.09090	2.5
173.13322	0.4
214.04994	0.6
308.48111	0.4
317.08655	0.6
333.07947	2.5
335.09402	6.9
339.17697	0.6
341.11264	0.4
422.08340	2.0
471.21930	100.0
472.22327	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	471.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11808	0.7
69.03419	0.7
69.24951	4.0
70.06586	1.0
86.09689	1.7
93.07028	0.7
97.02851	0.7
100.11244	1.9
106.06553	1.4
111.04227	1.3
123.04402	0.9
131.27095	0.7
137.05969	1.3
139.03891	0.6
147.04442	0.6
153.32370	0.6
156.20107	0.7
179.03188	0.7
182.15404	0.8
191.77771	0.6
202.74953	0.6
203.10420	1.5
213.07333	1.1
228.76068	0.7
247.16644	1.5
248.21040	0.7
281.06204	1.5
291.15588	9.2
296.11545	0.8
309.16693	86.5
310.16998	3.8
411.12186	0.9
471.14587	56.1
471.21820	100.0
471.35651	2.2
472.15131	3.4
472.22189	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	471.2197
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05497	1.0
67.05499	1.0
69.03442	0.4
69.07064	0.5
70.06608	0.4
70.10264	1.0
77.85562	0.4
79.05476	0.8
79.76682	0.3
81.03411	0.9
81.07042	1.7
83.08609	0.5
85.02898	0.6
85.06534	0.5
91.05488	0.5
93.07035	1.6
95.04974	0.5
95.08609	1.8
97.06522	0.6
99.08082	0.4
103.30779	0.5
105.07009	1.1
106.30289	0.5
107.08563	1.2
109.06486	0.7
109.10129	2.4
111.04319	0.4
119.08565	0.7
121.06483	0.4
121.10146	0.4
123.11729	0.6
127.03905	0.8
133.10170	0.4
135.11687	0.6
135.86090	0.4
137.09627	1.4
145.10071	0.6
147.11676	0.5
165.09090	3.5
169.82828	0.4
203.05273	0.6
220.12747	0.4
223.09470	0.6
259.07828	1.2
309.16711	1.5
333.07465	0.5
471.21939	100.0
472.22302	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	471.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11808	0.7
69.03419	0.7
69.24951	4.0
70.06586	1.0
86.09689	1.7
93.07028	0.7
97.02851	0.7
100.11244	1.9
106.06553	1.4
111.04227	1.3
123.04402	0.9
131.27095	0.7
137.05969	1.3
139.03891	0.6
147.04442	0.6
153.32370	0.6
156.20107	0.7
179.03188	0.7
182.15404	0.8
191.77771	0.6
202.74953	0.6
203.10420	1.5
213.07333	1.1
228.76068	0.7
247.16644	1.5
248.21040	0.7
281.06204	1.5
291.15588	9.2
296.11545	0.8
309.16693	86.5
310.16998	3.8
411.12186	0.9
471.14587	56.1
471.21820	100.0
471.35651	2.2
472.15131	3.4
472.22189	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	471.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	34.3
60.96939	0.6
67.05453	0.8
69.07038	0.7
69.48560	2.1
71.95208	1.9
72.96020	1.4
74.97576	1.1
77.31189	0.5
78.25233	0.6
79.05421	0.5
80.01942	0.6
81.07013	0.7
84.95966	0.6
96.92176	0.6
97.96765	2.6
98.23400	1.3
98.91956	4.3
98.97550	1.4
107.08514	1.0
109.10108	1.0
110.97546	3.1
115.97783	1.3
118.44643	0.6
119.01566	0.6
121.10101	0.6
123.01130	0.7
128.98590	5.1
131.00127	0.7
132.91714	0.6
133.10155	0.5
133.98833	0.9
137.02670	2.1
143.00075	0.9
145.76602	0.5
146.99625	3.1
147.11723	0.6
148.76271	0.6
155.03802	0.8
161.01172	2.0
165.00677	0.6
169.05324	0.7
171.03242	1.6
173.04785	0.7
185.04765	0.9
189.04297	1.2
190.05064	0.8
192.43451	0.6
204.06631	0.8
207.10587	0.7
208.06091	0.6
222.07762	0.8
223.10048	3.5
239.09509	1.0
241.11095	34.5
242.11568	1.0
253.10918	0.7
257.10663	0.9
259.12146	37.7
264.12674	2.2
266.11951	0.7
267.12555	0.7
282.13837	1.3
297.13620	0.7
319.19403	43.0
320.19714	1.9
325.20621	1.3
335.18893	0.8
337.20465	100.0
338.20792	4.2
355.21524	87.8
356.21848	3.6
360.22220	5.2
373.22552	2.3
378.23260	9.3
381.22955	1.5
393.23157	0.7
397.16309	0.8
411.24121	16.5
412.24594	1.0
453.33719	1.3
471.25650	1.0
471.35129	1.0
497.83655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86998	0.6
55.05453	1.1
56.96490	29.5
56.96801	3.6
57.76144	0.7
59.37175	0.6
67.05420	1.0
69.07025	0.8
71.44382	0.5
71.95207	1.6
72.88354	0.6
72.95988	1.5
74.97540	0.8
76.35143	0.8
78.92712	0.6
79.05411	0.8
81.06964	1.9
84.95975	0.7
89.05926	1.1
93.06954	1.0
95.08530	1.5
97.06463	1.0
97.96736	2.4
98.91941	4.6
98.97528	0.8
105.06946	1.2
107.08504	0.9
109.10126	0.8
110.97488	2.8
115.97787	1.5
119.08485	0.8
123.01123	0.9
128.98595	5.1
131.08429	0.8
133.10002	0.9
133.98770	0.9
137.02597	2.1
141.02119	1.1
146.99654	3.3
147.00545	0.7
147.86107	0.7
151.04239	0.9
155.03673	0.9
169.05371	0.8
171.03169	1.2
185.04811	0.8
189.04324	1.1
190.05038	0.9
199.06277	1.4
201.54265	0.7
223.10013	3.0
225.11588	1.2
239.09349	1.0
241.11098	32.3
257.10391	0.8
259.12164	34.6
264.12634	1.6
266.11850	0.9
282.13611	2.1
297.13776	0.9
298.27481	0.8
319.19400	41.7
320.19647	1.5
325.20401	1.7
335.19089	1.1
337.20453	100.0
338.20734	4.2
355.21515	90.2
356.21909	3.4
360.22064	5.6
373.22568	2.1
377.19946	0.8
378.23074	9.4
381.23044	1.2
397.16016	1.4
411.24103	18.1
411.29483	0.9
412.24445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3464
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
50.44193	4.7
55.05507	25.8
64.94756	5.1
67.05481	24.4
69.03423	5.3
69.07055	27.2
69.44813	24.2
76.02209	7.5
78.78838	5.1
79.05470	26.7
79.22065	5.7
81.07047	41.6
83.08594	17.8
85.02950	7.2
86.09634	6.2
89.90421	4.5
91.05462	27.1
91.76472	5.3
93.07027	52.1
95.04935	12.2
95.08592	68.0
105.07008	62.0
107.08578	61.6
109.06469	5.1
109.10145	34.7
109.87412	5.0
111.08063	52.2
117.06997	11.4
119.08571	100.0
121.10142	47.7
123.11678	9.0
131.08560	24.0
131.16705	5.0
133.10103	57.0
135.07994	10.1
135.11674	19.7
137.09624	7.6
137.13249	5.6
139.11163	7.9
143.08530	12.1
145.10101	50.7
147.11652	50.6
149.06050	5.4
149.09499	5.7
149.13264	35.5
157.10062	15.1
159.07973	5.6
159.11713	32.1
161.13213	41.2
163.07486	9.0
163.14792	19.1
169.20724	5.7
171.11722	9.6
173.13249	40.9
174.55467	6.2
175.14749	34.3
177.16345	24.0
179.14211	6.2
183.11702	5.2
187.14793	39.5
189.16371	40.9
199.14780	12.5
201.16376	49.6
203.17899	33.4
205.15793	11.5
207.17365	16.0
213.16307	8.9
215.17914	6.8
219.17395	19.3
221.19106	5.9
227.17973	5.9
229.19302	6.6
233.15312	8.9
233.19014	5.5
243.20975	6.7
245.15407	6.2
273.83231	5.6
275.19949	8.4
389.31946	10.4
407.32941	39.1
413.30389	10.7
425.34222	27.4
435.32678	10.8
441.33505	9.3
445.07260	5.7
453.33783	27.3
471.19879	11.8
471.26083	9.6
471.34491	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	471.3463
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
50.97815	3.7
55.05506	16.8
67.05496	21.2
67.11140	3.9
69.03410	4.8
69.07053	19.7
69.10660	4.1
70.92631	4.6
70.92979	7.7
79.05486	24.4
81.07059	47.8
83.08601	13.6
84.91209	4.5
85.02868	13.6
91.05451	22.6
93.07030	39.7
95.04954	7.1
95.08589	78.2
97.06498	5.6
105.07009	41.3
105.07642	4.9
107.08585	87.7
109.06498	4.8
109.10129	43.2
117.07056	8.4
119.08569	100.0
121.10146	47.0
123.11697	14.7
125.09602	9.2
129.06952	5.6
131.08572	35.6
133.10127	61.3
135.11678	37.7
143.08572	8.7
145.10112	57.2
147.06450	4.7
147.11673	39.7
149.13232	15.4
157.10100	10.9
159.11681	45.4
161.13249	33.2
163.07579	10.8
163.11171	12.5
163.14792	16.8
171.11620	8.6
173.13214	32.4
175.14787	28.8
177.16362	17.3
183.11621	5.8
185.13206	17.1
187.14796	54.2
189.16359	52.0
191.14287	7.7
191.17976	11.4
193.15852	4.9
199.14786	13.1
201.16360	94.1
202.16771	5.4
203.17885	25.3
205.15907	25.6
207.17392	14.9
213.16406	12.4
215.17815	23.4
217.15891	6.3
219.17389	23.7
227.17915	6.5
229.19592	5.9
231.17686	5.5
233.15201	5.3
233.18828	5.1
235.16812	6.1
241.19434	6.9
247.16916	11.6
255.21190	6.2
261.18509	5.4
283.24283	9.5
351.89178	5.3
389.32062	13.5
407.33060	88.9
408.33414	5.0
409.34189	5.9
425.33990	18.7
435.32355	18.3
453.08673	5.0
453.33279	23.9
471.34726	63.2
472.34869	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	471.3463
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05507	22.2
67.05502	25.8
69.03413	13.2
69.07065	29.8
71.43055	5.1
75.56509	5.7
76.49223	4.8
79.05490	23.6
81.07048	77.0
83.04989	6.8
83.08613	11.6
90.21146	4.8
91.05479	28.5
93.07034	65.9
95.04946	7.0
95.08592	98.5
97.05943	4.5
97.06538	13.9
103.05392	5.6
105.07017	71.3
107.08582	94.5
109.06465	5.2
109.10140	61.5
117.07012	14.7
119.08565	88.0
121.10130	73.1
123.08107	7.8
123.11730	26.9
125.09632	20.7
129.07043	6.7
131.08537	42.3
133.10118	90.2
135.11679	68.4
143.08585	8.9
145.10112	58.4
146.10982	6.5
147.11646	51.9
149.09587	7.4
149.13264	19.9
151.11171	5.9
157.10136	17.0
159.11678	48.5
161.13223	28.2
163.11171	6.1
163.14787	19.9
164.04298	5.1
166.75972	5.8
171.11656	14.5
173.13239	33.8
175.14781	70.9
177.16345	40.5
185.13272	17.1
187.14777	70.8
189.16342	27.5
191.17941	9.2
193.15898	20.3
199.14771	24.9
201.16370	97.8
203.17943	17.8
203.28644	5.2
205.04971	6.1
205.15883	17.7
213.16342	29.8
215.17943	25.0
229.19527	8.5
231.17513	9.4
233.15300	8.7
233.19046	5.8
241.19547	7.1
259.17007	5.3
261.18335	5.1
269.22995	5.1
281.22821	9.0
283.24261	4.9
292.66516	4.8
307.50723	5.3
387.38260	5.7
389.31937	16.7
407.33002	100.0
429.90475	5.8
435.32361	38.3
453.33725	12.0
471.34787	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.8
61.02920	0.4
69.03414	1.7
70.06585	0.5
71.43400	0.5
73.24014	0.4
81.03395	0.5
84.08126	1.2
84.96014	0.4
85.02887	2.2
97.02860	2.1
98.93431	0.4
98.97565	3.3
99.85131	0.4
107.04974	0.4
110.97548	1.0
115.03918	7.8
116.98608	1.4
117.03384	0.4
119.01817	0.4
120.08052	2.0
128.98627	1.5
129.10226	0.7
130.93309	0.5
133.04951	1.6
134.99638	0.7
145.04935	0.4
146.99634	0.9
148.04488	0.4
149.02084	2.4
158.99600	0.7
161.03024	0.4
163.03903	1.9
166.08607	0.7
170.99725	0.4
173.01276	0.6
177.00716	0.8
185.04192	0.7
191.02234	0.7
194.04913	1.2
194.99422	0.5
195.05179	0.5
201.00664	0.5
203.05244	1.4
212.05893	3.5
213.00586	0.6
213.06277	2.1
215.02155	0.4
217.96021	0.4
219.01744	2.1
226.95436	0.4
228.96989	2.8
230.06985	2.6
231.07251	0.9
232.96542	0.6
236.05887	1.1
237.00702	0.6
237.02823	2.3
237.06361	0.5
238.03140	0.7
239.04906	0.8
246.97986	2.7
250.97568	0.4
254.07097	0.5
255.03795	0.5
255.07178	0.5
259.07986	2.6
277.09073	2.0
282.98212	0.5
288.99054	0.5
293.02905	0.6
296.06458	2.0
296.56781	0.6
299.01270	0.5
300.98907	0.7
308.99469	0.5
311.03760	0.4
311.07416	0.9
327.00552	4.8
330.93213	1.4
333.04941	0.7
345.01773	1.2
347.09445	13.6
348.09909	0.5
348.94299	0.6
356.10269	2.6
357.04544	0.6
357.06030	0.5
357.10477	4.6
374.11145	0.9
375.05716	0.5
375.11349	1.5
376.03952	0.6
394.04810	0.8
430.98669	1.0
472.25815	0.4
473.12604	100.0
474.07297	9.3
474.13214	4.1
492.08182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1264
Annotation	Compound WIN VIII
Peak:m/z	Relative Intensity
50.49765	0.3
69.85754	0.3
69.86099	1.0
72.08162	0.4
85.02914	0.3
86.09705	0.6
115.03915	2.5
129.68097	0.3
133.04945	0.5
168.98550	0.3
179.03188	1.1
259.08228	0.4
277.09198	0.4
317.08395	0.7
341.04218	0.5
341.08395	11.7
473.12598	100.0
474.12958	5.1
478.76660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.4
55.17585	0.6
64.83677	0.7
65.03925	1.3
66.29977	0.7
67.05489	2.7
68.99785	0.6
69.03423	3.5
69.07055	1.9
74.37093	0.7
74.63540	0.6
77.03930	0.8
78.46631	0.6
79.05463	1.2
80.61647	0.7
81.07045	3.1
83.01325	1.5
91.05466	2.3
93.07024	2.9
95.04951	1.6
95.08603	5.3
97.02868	2.4
103.05460	1.0
105.07001	2.7
107.08575	2.4
109.06504	0.8
109.09455	1.0
109.10138	4.9
116.08474	0.6
119.08557	1.8
121.06489	6.2
121.10117	2.4
123.11774	0.6
130.99789	0.6
131.04903	2.7
131.08530	0.9
132.43602	0.6
133.10188	0.8
134.03571	0.9
135.11664	0.9
137.09621	6.4
147.04359	1.3
147.11653	0.9
149.02335	29.0
149.03436	1.9
149.05971	2.7
149.09601	1.2
153.07036	0.6
153.09061	0.8
159.04411	0.8
159.11694	0.8
162.03101	8.0
163.03542	0.6
165.09105	13.7
165.23293	0.7
177.05457	3.7
177.16249	0.8
190.02586	18.4
193.04947	22.5
194.05170	0.7
205.04941	100.0
206.05301	2.5
207.06535	1.0
219.03224	0.7
219.06490	12.3
231.06567	1.0
233.08058	5.9
237.07550	1.2
243.06541	0.9
245.04407	1.2
245.08072	1.9
247.05991	1.2
255.08279	0.8
271.09659	1.3
281.10159	2.9
283.09601	0.9
285.11221	1.1
297.03967	1.4
299.12817	1.3
313.14288	34.8
314.14783	1.6
323.12592	4.1
341.06686	3.5
341.13748	7.1
359.07590	2.7
385.09180	14.5
386.09424	0.9
429.11819	4.2
473.14319	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	473.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	0.6
69.03419	1.5
69.07065	0.8
69.46828	0.3
70.06572	1.3
71.04962	0.8
71.60204	0.4
72.08132	1.1
73.02890	0.7
79.05457	0.8
81.03396	0.6
81.07031	0.9
83.04967	0.6
84.04480	0.8
85.02884	1.5
86.09692	4.8
86.99707	0.4
91.05463	1.2
93.07034	1.0
95.08618	0.6
97.02879	0.9
97.06481	0.6
98.23499	0.9
103.86232	0.4
105.06997	1.0
106.06583	0.9
107.04939	0.4
107.08583	1.7
109.02917	0.7
109.06487	0.5
109.10159	0.9
115.03923	1.5
119.08510	0.5
121.10130	0.6
123.08067	1.3
127.03921	0.9
129.06772	0.4
133.06429	0.4
135.04456	0.4
135.08031	0.5
137.05940	0.4
137.09619	1.0
145.04893	0.5
145.08583	1.7
145.10077	0.7
151.11121	0.4
157.64247	0.4
163.03874	0.8
163.07495	0.8
165.09125	0.9
178.04985	0.4
185.43500	0.4
201.12390	0.5
201.65294	0.4
207.13765	1.1
223.09436	0.8
225.14742	0.6
229.11845	1.0
245.18610	0.7
273.09402	1.7
311.14572	3.1
311.18283	1.1
311.21982	0.4
427.08264	0.4
473.19824	100.0
474.20239	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	473.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.5
56.16745	2.3
57.03435	9.3
61.02920	6.1
63.23736	1.8
67.05513	1.7
69.03417	15.6
69.07056	4.7
70.06580	2.9
70.55704	3.3
71.01318	3.1
72.08144	16.3
73.02908	40.0
73.45798	1.7
81.03419	7.0
84.04485	3.2
85.02898	32.2
86.09705	18.6
86.57621	1.6
87.04459	2.7
89.03937	1.8
91.05508	1.8
96.32657	1.6
97.02879	25.5
103.03947	2.5
109.02872	4.4
115.03928	13.5
127.03905	7.3
130.06523	4.2
133.04961	10.3
143.07298	8.0
144.08072	100.0
145.04962	8.1
145.08403	2.8
156.08041	8.8
157.08823	3.2
158.09633	39.3
160.07571	7.8
162.07690	7.0
162.09106	63.1
163.03899	3.5
168.08119	10.7
170.09641	2.4
171.14944	3.2
172.07596	2.7
174.09142	7.6
184.07509	4.3
185.16484	2.6
186.09126	41.8
194.09712	2.7
198.09140	2.9
199.14436	3.4
199.46918	1.7
204.10178	66.0
205.10530	3.4
212.12608	1.8
216.10107	2.7
222.09488	1.8
228.10185	2.9
240.10172	6.4
258.11285	8.4
261.14532	2.1
270.11258	3.8
275.15964	6.0
276.12231	22.8
288.12250	13.0
294.13263	7.9
306.13269	22.6
318.13467	1.8
323.14355	1.7
324.14346	4.9
335.09421	5.1
336.14374	2.0
388.91245	1.9
399.58493	2.1
420.16409	4.9
438.17532	11.0
456.18060	2.8
473.18924	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	473.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.5
53.97133	3.9
55.01870	6.0
55.05500	21.9
57.03416	10.8
57.66010	3.8
67.05163	4.2
67.05495	53.7
69.03419	70.0
69.07046	32.8
69.91414	10.2
70.17576	3.6
71.04954	15.2
79.05476	44.5
81.03399	58.3
81.07043	94.3
83.04970	23.5
83.08594	14.2
85.02895	22.2
85.06516	14.8
91.05456	37.6
93.07024	48.1
95.04950	16.8
95.08591	97.8
97.02876	47.6
97.06535	22.7
97.10145	10.7
99.04423	10.8
99.08087	8.8
105.07018	42.0
107.04909	5.9
107.08579	19.8
109.02869	22.4
109.06511	6.7
109.10136	22.1
109.96987	3.9
111.04402	7.4
111.08062	9.5
115.03905	52.0
117.07045	7.9
119.08556	51.3
121.06480	13.0
121.10126	15.9
123.08047	9.6
123.11680	7.0
127.03894	45.3
131.08531	12.4
133.10103	29.1
135.08038	11.2
135.11659	17.8
135.83214	4.4
137.09578	5.4
137.13246	8.6
143.08502	4.2
145.04970	6.5
145.10104	7.1
147.08026	8.4
147.11655	5.8
149.05986	5.4
149.13348	6.5
151.07535	18.1
159.11676	7.8
161.13213	66.9
173.11810	5.8
179.14265	36.4
191.14240	3.9
195.13705	7.4
197.15305	11.9
207.13820	4.3
209.15280	5.3
225.14742	6.9
233.15291	5.8
237.14835	13.3
263.16315	5.5
269.15488	6.2
277.17780	7.2
287.16360	16.0
305.17477	36.5
310.67087	3.9
323.18457	100.0
341.19519	28.5
473.14063	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	473.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16499	0.4
55.05505	1.0
56.05022	1.7
57.05816	0.4
57.07050	0.5
57.65226	0.4
67.05485	1.1
69.03414	0.5
69.07058	6.4
70.06557	0.4
74.06068	4.6
79.05449	0.5
81.03410	0.5
81.07050	1.2
86.09693	100.0
87.10015	1.1
91.05470	0.5
93.07049	0.6
94.15932	0.4
95.04958	0.5
95.08601	1.4
97.06526	0.8
97.10175	1.6
98.06073	0.9
105.06982	0.7
107.08566	0.7
109.10146	1.3
115.03914	0.6
116.07101	1.2
119.08561	0.8
121.10136	0.8
126.05499	5.9
133.10126	0.7
137.09612	1.4
143.10652	0.6
144.06546	0.5
146.11745	14.0
155.06992	0.5
157.13348	2.8
165.09099	8.9
185.12881	3.4
195.11333	0.8
197.09227	1.8
200.13049	0.4
205.12296	0.7
211.14413	0.7
215.10373	0.9
217.15439	8.3
229.15562	0.5
239.13872	21.5
257.14923	14.5
258.15234	0.4
282.18292	0.4
299.52414	0.4
300.19266	1.2
328.18616	5.8
369.77231	0.4
473.14502	2.9
473.27194	24.3
474.13708	0.6
474.27469	1.6
499.56335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32754	4.7
50.78035	4.9
54.93841	5.1
55.01856	7.9
55.05497	40.0
57.03406	9.9
57.07063	8.4
66.30946	4.9
67.05496	41.4
69.03423	36.5
69.07064	40.0
70.06356	13.7
71.04980	14.7
71.08619	10.1
79.05482	28.0
81.03408	23.9
81.07046	97.7
83.04957	18.5
83.08603	23.4
85.02895	38.1
85.06526	15.5
91.05472	21.3
93.07036	39.5
95.04935	13.5
95.08595	100.0
97.02881	23.3
97.06519	17.0
97.10152	18.8
99.04483	7.8
99.08093	9.2
105.07011	35.0
107.08602	28.2
109.02880	13.5
109.06505	15.5
109.10133	42.6
111.04415	10.2
111.08045	11.1
111.11703	11.6
115.03906	32.9
115.46508	5.6
119.08558	31.6
121.06524	7.9
121.10121	21.5
123.08047	9.8
123.11692	15.2
125.06032	6.1
127.03902	19.6
131.08545	14.6
133.10081	16.7
135.08029	7.0
135.11736	17.5
137.13245	8.2
137.39954	5.3
143.97102	6.1
145.04900	6.7
145.10054	8.4
147.11641	11.2
149.02301	8.3
149.13220	8.2
151.07544	8.8
159.11734	7.0
161.13225	20.8
163.03850	6.5
165.09053	8.8
173.13351	5.7
179.14273	18.1
191.78046	5.1
219.80524	5.4
225.14671	7.0
233.57297	5.2
251.85753	5.2
287.16425	6.3
305.17432	19.2
323.18637	35.3
341.19568	13.8
473.14108	50.2
473.23154	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01862	6.1
55.05503	32.5
57.03421	8.3
57.07065	13.6
65.03922	3.3
67.05499	42.2
69.03403	14.4
69.07056	45.3
71.04975	11.3
71.08617	5.8
73.02887	4.0
77.03935	2.8
79.05482	22.7
81.03419	10.0
81.07045	100.0
83.04958	3.3
83.06105	3.2
83.08609	29.1
85.02893	31.8
85.06526	18.1
85.10175	3.7
86.09699	6.7
87.04479	5.0
91.05450	14.4
93.07034	30.5
95.04956	7.2
95.08588	100.0
97.02889	12.3
97.06510	6.9
97.10154	23.9
99.08047	5.4
105.07029	15.7
107.08572	24.0
109.06493	7.5
109.10147	50.2
111.04452	4.8
111.08072	13.0
111.11714	11.6
113.09639	4.2
115.03916	9.2
117.07005	5.2
119.08570	19.8
121.06480	6.4
121.10131	15.8
121.64938	3.1
123.08035	4.3
123.11686	26.7
125.09609	3.5
125.13256	8.0
127.03875	6.1
127.07554	5.1
127.11214	4.1
130.04974	4.5
131.08569	6.6
133.10129	12.2
135.08020	6.3
135.11668	13.1
137.09602	10.4
137.13249	14.8
143.08586	3.6
145.08586	18.2
145.10143	10.4
147.07927	3.4
147.11737	7.7
149.09573	6.3
149.13235	17.5
151.07504	4.3
151.14848	6.6
157.10135	5.4
159.07983	4.0
159.11668	5.5
161.09616	5.5
163.11203	3.6
163.14824	10.9
165.09109	18.9
167.19017	3.2
175.14795	6.2
177.16313	3.9
189.09050	4.1
195.09961	29.6
205.12057	3.4
254.20815	3.0
293.28387	5.6
311.15024	4.2
311.18286	36.0
311.29355	4.7
321.27557	3.8
357.15338	15.2
377.30237	3.3
401.30331	7.8
473.13986	15.0
473.23523	37.9
473.33728	4.4
473.81012	3.1
474.24478	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	473.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.0
55.32649	0.8
57.07060	2.3
60.08091	0.8
61.25374	0.7
67.05495	7.4
68.45438	0.8
69.03418	2.1
69.07058	7.0
69.72247	1.4
69.72646	2.6
70.04076	2.4
71.04989	1.0
73.02903	0.9
79.05478	4.7
81.03410	2.2
81.07050	17.5
83.04989	1.3
83.08607	5.2
85.02888	5.2
85.06539	3.5
85.10123	0.7
86.00260	0.8
86.09682	1.0
88.59549	0.7
91.05469	2.9
93.07049	5.7
95.04963	2.1
95.08591	17.0
97.02892	2.0
97.06531	1.8
97.10155	3.7
99.08076	3.6
104.48046	0.7
105.07018	3.7
107.08595	5.5
109.10155	11.9
111.08080	2.0
111.11715	3.4
117.07018	1.1
119.08583	3.4
121.10117	3.9
123.08064	1.0
123.11707	4.4
125.09603	1.5
125.13214	1.0
127.03954	1.5
127.98669	0.9
129.05511	0.9
131.08495	1.9
133.10120	2.3
135.08081	1.2
135.11646	2.0
137.09627	2.7
137.13240	1.8
145.10089	1.6
147.11668	1.6
149.09566	1.3
149.13274	2.8
151.14781	1.8
157.10086	0.9
159.11729	1.7
161.13214	1.5
163.14790	1.2
164.24490	0.8
165.09073	4.6
165.12738	0.8
173.05984	0.8
173.13271	0.9
183.10156	1.0
183.11725	0.9
199.20401	0.8
205.19580	1.1
233.22539	0.9
293.28381	1.6
311.18198	1.2
334.08487	1.1
473.14304	4.3
473.23520	100.0
474.24017	9.7
482.47299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.362
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03949	5.7
55.05500	36.7
57.07059	5.9
67.05489	39.3
69.07055	35.9
69.68993	13.5
71.04995	4.2
72.02859	3.3
79.05471	32.4
81.07043	80.1
83.04985	8.0
83.08614	23.1
91.05463	31.7
93.07034	41.4
94.34846	3.7
95.04982	6.9
95.08597	100.0
95.09203	5.6
97.06509	16.1
97.10161	10.1
98.22757	4.7
99.08090	5.7
101.06036	3.5
105.06999	33.4
105.07522	2.9
107.08571	22.0
109.06461	3.2
109.10130	15.5
111.08103	4.6
113.09659	4.2
115.03916	4.8
115.07586	3.9
117.06999	6.5
119.08556	47.6
121.10098	21.6
123.08066	8.5
128.60323	3.5
131.08528	6.2
133.10098	28.9
135.11668	25.1
137.09636	6.6
137.13243	11.9
141.09148	3.6
145.10130	4.7
147.11674	6.9
149.13242	10.4
157.66833	3.3
161.13225	46.6
175.14728	4.7
179.14304	14.9
241.19554	7.2
251.45457	4.4
259.20538	15.1
277.21570	30.6
295.57043	3.8
437.34113	4.9
455.35104	16.1
473.35977	12.6
498.60547	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	474.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03415	1.2
58.99572	0.7
61.02920	0.7
63.42331	0.4
68.99792	0.9
69.03416	2.1
71.04965	0.5
71.42651	0.6
72.08138	0.6
73.02892	1.0
74.25785	0.4
75.98907	0.4
76.02220	1.8
79.05473	1.2
79.43408	0.5
79.83449	0.4
80.54539	0.4
81.03391	1.8
81.07042	2.5
84.03091	0.5
85.02396	0.9
85.02895	13.3
85.06501	0.7
86.09667	0.8
86.99052	0.7
88.03980	3.0
91.05489	0.9
93.07037	1.9
97.02882	3.6
100.02158	1.2
103.05443	1.9
105.00075	1.1
105.06999	0.6
107.04962	2.6
107.08594	0.7
109.02864	1.9
116.04951	1.3
117.07014	0.5
121.05708	0.9
121.06503	10.1
121.59193	0.5
122.02711	14.8
123.04423	7.6
127.03918	2.7
131.04880	3.4
135.04433	1.0
135.08046	1.4
145.04912	1.7
145.06436	0.6
145.10092	0.8
146.02696	0.8
147.04398	1.4
148.05127	0.6
149.05960	70.7
150.06331	1.4
159.05542	2.8
161.05960	1.6
162.06721	2.0
163.03925	1.1
163.07532	3.3
163.11108	1.1
173.05917	1.1
173.09581	2.1
176.08311	0.9
185.05923	0.5
187.07562	0.8
189.09056	1.2
191.10645	100.0
192.11015	3.6
203.10655	1.2
215.10629	5.3
225.09436	0.6
225.40150	0.5
227.10587	1.2
233.11565	2.7
242.28160	0.5
257.11749	2.9
281.11893	0.8
284.07788	2.4
312.12567	2.9
317.13751	0.7
321.29883	0.6
443.76797	0.5
474.17453	2.6
474.23709	1.1
490.10257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01868	1.2
57.03428	1.3
57.07070	0.7
58.31616	0.4
58.99586	1.4
61.02914	1.3
67.05492	0.6
68.99786	1.1
69.03420	2.8
70.06593	0.5
71.16144	0.4
73.02903	0.9
76.02206	2.8
79.05473	1.1
81.03415	1.3
81.07039	1.9
85.02896	10.7
86.09717	0.8
86.99023	1.1
88.03964	0.6
91.05472	1.2
93.07040	2.1
95.04990	0.7
97.02863	3.0
99.04431	0.4
100.02185	3.5
102.60246	0.4
103.05458	2.8
105.00069	1.9
107.04929	2.3
107.07057	0.5
107.08593	0.6
109.02855	1.5
116.07101	0.6
119.04922	0.5
121.06490	11.3
122.02713	22.5
123.04414	4.5
127.03915	1.6
131.04883	4.1
135.04381	1.1
135.08032	1.4
137.05840	1.0
145.04970	1.1
145.06409	0.7
145.10121	1.5
146.02687	2.8
147.04384	1.0
148.05183	0.6
149.05959	71.1
150.06305	1.9
158.07286	0.5
159.05518	4.3
159.07800	0.4
161.05954	0.5
162.06725	2.1
163.07512	3.6
163.11153	1.1
163.13306	1.9
164.03757	0.9
173.09608	1.6
176.08295	0.6
179.95132	0.4
188.03720	0.5
191.10640	100.0
192.11005	3.0
215.10594	1.0
233.11703	0.9
248.05844	1.1
263.08847	0.5
284.07941	10.0
312.12613	6.0
317.13712	0.5
450.23724	0.5
474.17685	0.7
474.24661	3.7
475.19376	9.5
475.25818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01871	5.0
55.42889	0.7
57.03429	1.3
59.04992	1.8
61.02920	0.7
69.03422	8.3
70.36203	1.2
81.03398	2.3
85.02898	10.0
87.04463	4.1
97.02879	12.8
97.69099	0.6
98.23386	0.9
98.97549	0.9
109.02860	3.3
115.03921	100.0
116.04236	1.1
127.03898	5.2
133.04958	18.2
145.04930	4.5
151.42650	0.6
172.94409	0.9
201.00810	0.7
216.01373	0.7
220.96219	0.7
232.96593	0.8
241.07120	1.5
259.08130	13.3
277.09143	23.7
277.12186	1.2
317.07135	1.0
345.03992	0.6
423.06781	0.6
478.99072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01867	3.9
57.03426	1.3
59.04987	1.2
61.02913	1.1
65.57885	0.4
69.03430	7.3
69.66857	1.8
71.04977	1.1
73.02914	0.8
81.03407	2.1
85.02900	9.4
87.04449	3.9
91.03946	0.6
97.02884	11.1
98.03244	0.4
99.04445	1.1
109.02851	2.6
115.03922	100.0
116.04243	1.8
127.03911	5.7
133.04955	17.0
133.05923	1.0
136.80159	0.5
145.04945	4.3
163.89647	0.6
223.06143	0.6
241.07077	0.8
259.08118	10.8
277.09174	21.8
277.12241	1.1
278.09534	0.7
282.30942	0.5
287.90915	0.5
386.45413	0.5
395.05032	0.5
421.26685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68435	0.4
53.03940	0.8
55.01865	5.2
57.03421	1.5
59.04990	1.7
61.02922	0.9
69.03060	0.6
69.03417	8.6
69.94711	1.0
69.95078	1.0
73.02898	1.2
79.51101	0.4
81.03391	2.8
85.02892	10.1
87.04462	4.5
95.32281	0.5
96.50772	0.4
97.02877	13.9
98.23409	0.7
99.04455	1.3
109.02869	3.1
115.03913	100.0
116.04218	0.8
119.92215	0.4
127.03899	4.7
133.04945	16.3
145.04948	4.9
177.73567	0.5
177.75856	0.5
187.06046	0.6
194.87965	0.5
241.07024	1.3
248.05505	0.6
259.08115	9.1
260.08371	0.6
277.09128	18.9
341.58966	0.4
454.31458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01865	4.0
57.03426	1.4
59.04995	1.3
61.02920	1.1
69.03419	10.8
71.04988	2.0
71.40761	0.7
73.02914	1.0
81.03405	2.1
84.08102	1.0
85.02898	12.4
85.94714	0.7
86.09717	1.1
87.04475	4.6
93.07049	1.8
94.96374	0.9
95.29858	0.8
97.02881	11.5
99.04453	1.1
100.32317	0.8
103.05439	5.8
107.04952	1.6
109.02879	3.1
115.03915	100.0
116.04282	1.1
120.08088	98.8
121.08401	2.0
127.03910	5.9
129.68274	0.8
131.04941	1.4
133.04951	20.0
145.04929	5.2
149.05971	1.7
166.08620	43.6
167.08986	1.2
241.07051	1.2
259.08102	10.9
277.09152	21.4
278.09567	1.1
287.44778	1.0
318.07178	1.0
350.32776	0.9
352.69525	1.0
474.26132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.9
57.03430	19.3
57.07064	10.8
57.89529	2.3
61.02930	11.9
69.03428	30.8
69.58329	9.8
70.06596	7.9
71.04978	3.3
72.08150	6.3
73.02585	2.8
73.02917	28.4
81.03439	6.0
84.04533	3.4
84.08134	7.4
85.02899	69.4
85.06538	9.9
86.09698	19.1
87.04463	5.7
88.03977	2.3
89.21780	2.3
95.04952	5.4
97.02882	42.1
98.22730	3.1
99.04462	3.4
101.06049	3.3
102.05553	2.6
103.07571	100.0
107.04959	6.0
109.02840	6.1
115.03917	63.0
116.07057	2.6
127.03889	21.5
127.07548	13.0
129.10251	5.6
131.07027	5.6
133.04950	24.1
134.06012	21.1
145.04964	33.6
145.08589	9.0
163.06009	13.1
163.09641	89.7
176.07025	4.9
185.52115	2.8
259.08109	8.9
277.09067	17.8
296.11307	12.7
419.37268	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	474.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31290	1.7
55.01880	1.5
55.05478	1.2
69.07063	2.1
70.05186	4.6
70.21896	1.5
81.07050	3.6
91.05507	2.0
93.07049	1.8
95.08588	1.9
96.92055	1.4
97.02870	1.8
105.07008	1.8
121.06466	7.1
125.05738	1.4
131.04898	1.8
135.11697	1.7
147.04424	2.1
149.05928	3.4
162.03085	6.0
165.09024	2.0
177.05571	2.3
190.02582	18.0
193.04968	2.3
200.19933	1.7
205.04932	100.0
206.05264	1.9
219.06407	7.4
237.07535	13.4
247.06010	6.3
256.26135	2.1
329.17313	4.5
361.20035	5.1
474.32608	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35197	0.4
55.01865	3.5
55.05507	5.3
57.03430	5.6
57.07066	7.7
57.40937	0.5
59.04982	1.1
61.02920	6.3
62.85053	0.4
65.99368	0.4
69.03419	11.0
69.19282	2.2
70.06559	0.5
71.01331	1.3
71.04984	0.7
73.02908	31.1
74.06055	0.5
81.03416	2.3
81.07040	0.7
82.56437	0.5
83.01334	0.5
83.08598	2.9
84.04459	0.4
85.02893	21.8
86.09681	1.0
87.04453	1.8
89.06019	25.0
91.03971	0.5
97.02246	0.9
97.02879	17.8
99.04441	0.8
101.09640	9.9
103.03955	1.2
104.48049	0.5
107.07055	26.4
109.02876	2.2
114.51762	0.4
115.03915	9.7
121.06488	0.8
122.02696	1.7
124.10014	0.5
127.03896	6.6
131.04900	0.8
133.04945	8.5
137.05988	0.8
137.09727	0.5
145.04947	8.5
145.12199	0.7
149.05971	4.3
163.06064	2.3
163.13274	100.0
164.13625	1.7
179.03302	0.5
191.10655	5.8
223.06001	1.2
230.07664	0.6
241.07065	1.8
259.08133	1.9
296.86035	0.5
470.84903	0.5
474.19269	0.5
474.24515	0.9
475.18494	0.7
475.25198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
57.03424	5.9
57.07070	9.2
58.06593	40.2
58.15191	0.7
59.07374	12.6
60.07912	0.9
60.08162	11.2
63.13250	0.9
67.05489	3.1
69.07050	2.3
71.08620	5.2
71.09968	1.1
73.02882	1.0
75.04465	3.0
79.05477	1.6
81.07048	5.0
83.08620	2.2
85.02874	1.4
85.10172	2.9
87.04456	4.6
90.03224	0.8
93.05512	0.8
93.07056	1.1
95.08594	4.7
97.10192	1.1
98.92119	0.8
98.98430	1.2
109.10171	2.0
111.34287	0.9
121.10171	1.1
123.11694	0.9
136.99928	1.6
144.10199	8.5
154.97035	0.7
155.00992	0.9
162.11224	1.6
169.02274	0.8
172.95262	1.3
218.14020	0.8
236.14890	85.8
237.15146	1.3
244.06082	0.8
288.69736	0.9
313.27261	1.8
321.87512	0.8
456.18863	1.0
456.36755	26.4
474.20105	1.9
474.37839	100.0
475.38568	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1223
Annotation	6,7-Dihydroxy-3'-methyoxy-4',5'-methylenedioxyisoflavone 6-O-rhamnoside
Peak:m/z	Relative Intensity
55.01870	1.4
55.05498	2.0
57.03436	2.2
61.02910	2.6
67.05489	2.7
69.03419	43.4
69.07057	3.1
69.88733	3.1
70.06613	1.7
71.04986	2.6
79.05497	2.1
81.03400	2.9
81.07058	2.9
83.04967	5.2
85.02923	6.7
86.78333	1.4
91.05481	3.4
93.07069	2.8
95.04956	1.6
95.08589	3.4
97.02887	5.0
105.07014	3.4
107.04338	1.6
107.04969	6.1
107.08598	4.4
109.10165	1.8
111.04421	4.9
115.03967	6.0
117.07035	1.6
121.02847	41.2
121.10162	1.8
127.03902	1.6
129.05450	6.8
133.02811	1.8
135.04395	2.1
135.08069	2.2
137.05991	3.9
137.09608	1.5
145.10139	4.0
147.04356	2.5
151.05646	1.4
151.07562	2.9
153.01776	2.5
157.03915	1.6
157.06512	2.0
163.03905	1.9
163.07565	2.2
165.01849	5.7
165.09076	2.7
165.22528	1.4
169.06465	1.8
173.06023	2.9
183.02887	1.7
189.05403	1.8
195.02754	3.2
199.07503	1.4
201.05449	2.1
203.03365	1.8
217.04866	1.9
221.04112	1.4
229.04993	4.1
231.06543	1.6
243.06503	1.5
245.04495	4.2
254.05565	2.5
255.06512	2.3
259.06030	5.5
263.05511	4.1
271.05905	3.9
272.06766	4.1
278.08154	3.2
283.05981	10.4
285.03983	3.0
286.04642	10.3
287.05441	44.8
288.05670	2.2
295.06073	2.1
295.09702	1.7
299.05450	73.9
300.06100	22.0
301.07193	1.8
311.05475	16.5
313.06894	1.8
313.12534	2.4
325.07095	6.4
327.05008	5.5
327.08609	3.4
329.06497	67.2
330.06824	2.5
335.09219	2.8
337.06958	7.0
339.04922	2.6
341.06454	2.3
341.10162	2.1
343.07852	1.8
351.08713	9.0
353.06357	6.7
355.08340	3.3
369.09714	3.4
371.07675	2.0
379.08026	27.6
397.09113	79.9
398.09631	4.4
415.10226	1.8
439.10168	3.8
457.11252	24.1
458.11612	2.3
475.12286	31.8
475.22290	2.9
475.32535	100.0
476.12363	1.8
476.32791	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	475.123
Annotation	Apigenin 7-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
67.01863	0.4
68.29743	0.1
68.99479	0.1
68.99760	0.4
69.03407	0.1
69.92594	0.2
81.03384	0.2
85.02882	0.1
91.05444	0.4
92.69137	0.1
97.02889	0.1
109.02863	0.2
111.00765	0.1
119.04922	1.8
121.02850	0.6
129.01797	0.2
145.02814	0.6
153.01804	5.0
163.03877	0.5
165.09062	0.1
171.02859	0.5
181.06476	0.1
187.03954	0.1
187.05927	0.1
191.03345	0.2
197.06021	0.1
203.07074	0.1
225.05426	0.3
229.04930	0.3
243.06606	0.2
247.06154	0.1
252.98793	0.1
271.05957	100.0
272.06293	4.2
313.14175	0.1
475.12241	0.9
475.32309	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	475.1233
Annotation	Kaempferol 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
55.05510	4.8
60.02566	1.5
61.05967	1.9
65.07207	2.3
65.80956	1.4
69.03421	60.2
71.01341	1.6
71.04997	5.0
74.17068	1.6
81.07079	2.5
83.04989	12.5
85.02885	6.2
97.02880	1.7
101.87142	1.8
103.53001	1.5
111.04420	13.4
120.38293	1.4
121.02858	3.2
129.05467	26.8
153.01830	5.2
161.65402	1.9
189.07521	6.1
205.06602	1.6
287.05450	100.0
288.05786	3.1
320.52963	2.1
329.06528	3.2
379.07794	2.2
397.09219	3.7
475.17389	2.0
475.23026	14.0
475.32526	35.6
485.80994	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	475.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03675	0.9
53.03938	1.0
55.01853	2.1
55.05494	1.1
57.03201	0.9
57.03424	8.2
61.02919	6.1
67.25877	0.8
68.55769	0.8
69.03416	11.6
69.36887	1.0
70.06590	1.4
70.38786	2.0
71.04980	40.2
72.08131	3.1
73.02904	5.7
75.04461	3.3
81.03415	4.9
81.03823	0.9
83.04989	4.9
84.04506	1.6
84.08144	1.4
85.02889	100.0
86.03233	1.7
86.09679	4.1
87.04453	3.3
90.52229	0.9
91.03936	2.8
91.05437	0.9
97.01163	1.2
97.02874	17.2
99.04434	4.2
103.03928	1.4
103.07571	1.9
106.06536	1.4
107.04913	4.1
109.02865	2.9
110.82706	0.8
111.04438	3.2
115.03915	2.1
119.04932	2.6
119.23126	0.8
127.03892	14.9
129.05452	24.0
129.10255	1.0
134.06000	22.3
135.06451	0.9
136.07631	0.9
144.06577	0.9
145.04936	24.8
147.06490	10.5
154.74011	0.8
163.06003	10.8
163.09615	1.5
164.09126	2.1
165.05472	2.3
176.07050	4.0
192.06520	3.5
199.05309	2.6
229.11754	0.9
250.02420	1.1
255.08577	1.1
296.11249	13.8
309.12164	1.0
311.30576	0.8
341.64313	0.9
458.89636	0.9
475.17703	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	475.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05509	1.4
55.28864	0.6
57.03434	9.9
59.04989	0.8
61.02898	1.6
69.03409	3.3
70.06593	0.9
71.04986	71.6
72.08136	0.8
73.02901	2.4
75.04478	4.7
81.03397	1.1
83.04974	6.9
85.02896	100.0
86.03233	0.9
86.09673	1.0
87.04446	2.1
94.31236	0.7
95.04932	1.3
97.02870	5.0
98.44608	0.6
99.04444	2.1
103.03927	1.4
107.04922	1.0
111.04426	3.5
111.94305	0.7
115.03888	0.6
122.06039	2.2
123.04427	6.3
127.03934	3.2
127.24384	0.7
128.07056	0.9
129.05464	44.9
130.05792	1.0
133.06471	1.0
135.37718	0.6
139.03902	0.8
145.04955	4.1
146.08090	1.6
147.04547	1.0
147.06519	16.5
150.05475	9.1
151.03918	1.1
163.03931	1.1
163.05984	1.5
164.09177	6.8
192.06483	7.4
234.07549	0.9
250.30368	0.6
255.08585	1.5
260.09311	0.7
296.11264	5.1
308.83212	0.7
309.11780	0.9
312.10785	2.3
458.16495	4.1
475.17789	5.5
475.25055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75184	0.3
57.03462	0.3
61.02919	0.4
69.03434	0.4
70.06581	0.3
70.48641	0.6
75.99534	0.3
85.02897	0.6
86.09711	1.2
89.06029	2.4
91.05473	0.8
95.08600	0.3
107.04990	0.3
115.03962	0.5
121.10178	0.3
127.03939	0.4
127.11211	0.3
133.08585	0.9
137.05966	1.6
151.07536	1.0
152.07063	0.6
158.65286	0.3
175.03650	4.4
175.07646	0.3
177.11237	0.3
180.24387	0.3
187.07578	0.3
189.05319	0.5
191.14284	0.3
204.07521	2.1
217.08531	0.5
219.06303	0.8
227.16452	0.8
230.19414	0.3
263.08862	5.2
275.08755	0.3
277.10434	3.8
353.05350	0.3
367.53952	0.3
427.16776	0.3
457.18478	0.3
459.28137	0.4
475.19345	100.0
476.19736	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	475.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75184	0.3
57.03462	0.3
61.02919	0.4
69.03434	0.4
70.06581	0.3
70.48641	0.6
75.99534	0.3
85.02897	0.6
86.09711	1.2
89.06029	2.4
91.05473	0.8
95.08600	0.3
107.04990	0.3
115.03962	0.5
121.10178	0.3
127.03939	0.4
127.11211	0.3
133.08585	0.9
137.05966	1.6
151.07536	1.0
152.07063	0.6
158.65286	0.3
175.03650	4.4
175.07646	0.3
177.11237	0.3
180.24387	0.3
187.07578	0.3
189.05319	0.5
191.14284	0.3
204.07521	2.1
217.08531	0.5
219.06303	0.8
227.16452	0.8
230.19414	0.3
263.08862	5.2
275.08755	0.3
277.10434	3.8
353.05350	0.3
367.53952	0.3
427.16776	0.3
457.18478	0.3
459.28137	0.4
475.19345	100.0
476.19736	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	475.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13932	0.4
58.17294	0.5
59.57833	0.4
60.30473	0.4
69.03419	0.4
69.22298	2.4
72.22179	0.3
85.02909	0.6
86.09692	0.8
89.05999	1.3
91.05455	0.6
101.26250	0.4
106.84806	0.5
133.08571	0.9
137.05933	1.6
147.04295	0.4
151.03944	0.5
151.07492	0.7
152.07005	0.5
161.05943	0.5
161.37798	0.5
163.07362	0.5
175.03632	5.2
179.03351	0.5
204.07524	1.9
219.06299	0.9
263.08893	4.9
277.10422	4.7
331.95490	0.5
333.07968	1.3
450.49219	0.4
457.17001	0.6
475.19299	100.0
476.19724	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	475.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01861	1.3
55.05487	0.4
57.03429	1.9
57.07051	0.4
59.04976	0.2
61.02921	3.4
61.28651	0.2
61.64235	0.3
67.05209	0.2
67.05499	2.5
68.99757	0.3
69.03066	0.5
69.03422	8.9
69.07042	0.6
69.26687	0.3
69.27031	1.2
71.04963	0.7
71.43447	0.2
73.02882	1.1
77.03911	0.3
79.01828	0.3
79.05479	2.4
81.03413	3.5
81.07050	3.2
83.01339	1.6
85.02895	20.3
87.04455	1.7
87.52036	0.2
91.03951	1.3
91.05468	1.9
93.07026	1.4
95.04946	0.9
95.08595	2.9
97.02884	8.0
99.04435	1.6
103.05444	0.3
105.07006	0.9
107.04950	4.3
107.08588	1.0
109.02867	2.5
109.10145	8.6
110.10414	0.4
117.06989	0.3
119.04916	1.0
119.08539	0.6
121.06522	0.3
121.10123	4.5
123.11697	6.7
127.03900	4.6
129.06995	0.4
131.04901	0.7
135.04405	7.7
135.11656	0.6
137.02252	0.4
137.05934	2.3
137.09604	0.3
145.02832	0.3
145.04930	3.5
145.06175	0.3
145.06537	0.3
149.05965	0.6
151.07526	2.4
153.01802	1.0
159.04414	0.5
161.02307	0.5
163.03888	11.8
163.07520	0.8
164.04298	0.3
165.09070	2.5
171.02943	0.3
173.05957	0.3
175.03876	0.5
175.07448	0.3
177.05429	0.9
177.09160	0.4
179.03346	1.2
191.03363	100.0
192.03749	2.3
193.04964	2.0
203.03279	0.3
205.04948	6.2
215.03442	0.3
217.04999	0.7
219.06477	2.5
231.06528	0.9
232.05983	0.3
233.04581	0.3
233.08031	1.6
243.06516	0.3
245.08066	0.6
255.10233	0.3
257.08078	2.9
271.05972	23.2
271.09448	1.7
272.06287	1.1
305.45132	0.2
313.14288	54.1
314.14636	2.6
337.14496	0.2
475.10239	0.4
475.21823	1.2
475.32501	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	475.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
55.01844	1.1
55.05486	0.4
57.03410	0.8
57.07053	0.2
61.02898	1.1
67.05494	3.0
67.89240	0.2
69.03416	3.2
69.07046	0.4
69.81876	0.2
71.04958	0.3
73.02876	0.6
77.03917	0.4
79.01832	0.6
79.05477	2.4
81.03400	1.5
81.07040	4.9
83.01328	1.9
85.02412	0.4
85.02889	6.1
87.04449	0.6
89.03920	0.3
91.03917	0.4
91.05439	0.9
93.07026	1.3
95.04941	1.1
95.08588	5.0
97.02879	3.4
99.04435	0.6
105.04462	0.3
105.07019	0.6
107.04232	0.5
107.04936	5.5
107.08577	0.8
109.02840	1.3
109.10136	14.0
117.06967	0.4
119.08541	0.3
121.10122	3.5
123.11682	9.1
124.11989	0.4
125.02318	0.3
127.03912	1.3
131.04936	1.3
133.10168	0.3
135.04390	9.0
135.11636	1.2
136.04703	0.3
137.02325	0.6
137.05991	0.2
145.02759	0.4
145.04927	0.7
145.06496	0.4
147.04379	0.7
149.02277	0.3
149.05907	0.7
151.03856	0.7
159.04446	0.5
161.05997	0.3
163.03874	15.8
164.04187	0.3
173.05928	0.3
175.03795	0.4
177.05408	0.9
189.05392	0.4
191.03352	100.0
192.03708	3.3
193.04932	1.4
199.03902	0.3
203.03365	0.5
205.04930	9.4
217.04906	1.4
219.06441	3.2
228.83217	0.3
229.04871	0.7
229.08766	0.3
231.06549	0.6
232.06042	0.3
233.08060	2.8
243.06451	0.5
245.08025	1.5
251.09186	0.4
257.08051	3.7
271.09607	2.0
279.08554	0.7
280.18442	0.3
302.35034	0.2
311.12698	0.3
313.14270	37.8
314.14636	2.3
473.33112	0.3
475.19534	0.6
475.32526	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	475.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.01850	1.0
58.17144	0.4
58.19065	0.4
65.03926	0.8
67.05486	1.1
69.03418	0.7
79.05491	2.1
81.07052	0.9
91.05462	15.9
93.07030	1.2
95.04939	1.4
95.08585	1.5
103.05452	3.0
104.06216	1.8
105.03452	0.5
105.07040	3.6
107.04928	2.3
107.08613	0.6
108.05772	0.5
109.06533	0.8
115.05443	8.0
117.07001	8.8
119.04937	4.3
119.08566	10.2
120.05682	1.6
121.06499	7.0
121.10130	0.6
122.03641	1.0
123.04366	0.5
123.08051	1.2
123.53954	0.4
123.76922	0.4
128.06195	3.7
129.07004	5.9
131.04904	3.1
131.08543	1.0
132.05705	8.0
133.06462	1.3
133.10057	0.4
135.04398	1.0
135.07996	0.6
135.11725	0.5
136.05125	1.1
137.05960	18.6
137.09578	0.4
138.06322	0.6
141.06982	6.8
143.04926	0.5
143.08559	0.6
145.06464	4.3
146.03503	0.4
146.07111	0.6
147.04369	0.7
147.08032	15.9
148.05173	0.7
149.05980	2.9
149.09630	1.9
151.07521	18.7
152.07835	0.4
155.06000	1.1
157.06442	1.1
158.07304	0.5
159.08014	0.6
160.05171	6.9
161.05943	3.0
162.06725	1.6
163.07524	12.0
165.06969	0.9
165.09111	3.8
166.07751	0.6
167.08502	1.0
169.06476	7.8
170.06996	0.4
171.07909	0.5
173.06049	0.5
174.06729	1.3
175.07523	100.0
176.07845	3.2
177.09090	25.7
178.09384	0.7
179.10667	1.1
181.06416	0.5
183.08005	0.5
186.06799	0.5
187.07550	1.7
189.09084	7.0
191.03377	1.6
191.08545	0.6
191.10556	0.6
193.06506	0.7
195.07980	1.6
201.09093	8.1
203.10664	0.8
205.06505	1.0
207.08034	0.6
209.09483	0.5
210.06773	0.7
213.09084	0.5
219.08109	1.0
221.05910	1.2
223.07504	1.4
225.09151	1.0
227.10654	1.1
235.07523	0.6
236.08150	0.5
237.09154	1.2
249.05646	0.5
249.08997	0.9
251.10539	0.7
253.08469	1.0
254.08891	0.4
255.10074	2.4
261.09186	0.8
264.07700	0.4
265.08527	3.1
266.09546	0.4
267.10162	0.9
269.11682	0.6
279.10126	3.3
281.08392	0.5
281.11905	0.7
285.11288	2.4
287.12750	9.2
291.10367	0.5
293.11661	0.4
296.10391	1.4
297.11081	2.3
299.12640	0.7
307.13126	0.5
309.11179	1.4
311.12738	4.7
313.14294	7.3
325.14288	0.6
351.15829	1.4
399.07739	0.4
411.15460	0.7
443.18530	1.2
475.14294	0.5
475.21164	5.5
475.32358	5.2
476.21771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01871	1.4
62.64256	0.5
63.02407	0.6
65.03931	1.6
67.05516	0.8
69.03415	1.4
69.07040	0.9
69.65084	1.9
70.06573	1.0
77.03945	0.9
79.05492	2.3
81.03410	1.1
81.07040	1.8
85.02911	1.7
86.09684	0.9
91.05472	14.3
93.07030	2.0
94.04180	2.7
95.04964	2.6
95.08584	1.1
97.02843	0.9
98.22674	0.7
99.04437	0.9
103.05447	6.5
105.07014	2.7
107.04949	2.4
107.08582	2.6
109.06503	1.6
109.10110	1.1
115.05463	3.3
117.06985	3.2
119.04939	6.7
119.08542	4.3
121.06512	2.5
121.10169	1.0
122.03653	6.9
123.11707	0.9
124.49692	0.6
127.03896	0.8
128.06204	1.9
129.06976	2.7
131.04904	12.4
132.05698	2.8
133.02829	2.9
133.06433	0.9
135.08022	1.9
136.05203	1.5
137.05963	100.0
138.06296	1.0
139.03952	0.8
141.06973	4.2
143.04846	0.8
145.06479	2.3
146.07156	0.8
147.04475	1.1
147.08044	5.7
149.05972	2.3
151.03925	1.3
151.07530	26.7
157.06468	1.2
160.05180	2.2
161.05962	3.8
161.09596	1.0
163.03873	1.2
163.07526	24.9
164.07852	0.7
165.05455	2.6
165.09062	2.1
169.06490	4.4
174.06699	1.3
175.07526	37.3
176.07901	0.9
177.05362	1.0
177.09093	11.1
178.09589	0.7
179.08415	0.8
183.06497	2.7
183.07927	0.7
185.05956	1.1
187.07475	3.1
189.09085	7.6
190.07747	1.0
191.03410	4.2
192.03773	0.7
193.04955	1.2
195.08008	0.9
199.07614	0.8
201.09058	5.0
205.04858	1.6
205.10098	1.7
207.08043	0.7
211.05945	0.7
213.09052	1.1
218.07124	0.8
219.06221	0.7
219.08112	1.2
222.10445	0.9
224.08327	0.7
229.07082	2.4
233.09634	3.4
244.08540	0.7
247.07562	0.7
248.08275	0.6
249.08916	1.6
250.09789	1.1
251.10423	0.7
255.10162	1.1
261.09091	2.7
265.08502	1.1
265.12192	4.5
267.10172	1.1
275.10803	0.7
278.09363	1.5
279.10117	1.9
284.08472	0.6
285.11166	1.0
287.12836	3.3
293.11661	10.8
295.09650	0.8
296.10336	1.4
297.10977	0.8
299.12985	0.9
305.11639	0.7
309.11118	1.1
310.11942	1.0
311.12662	2.5
313.06769	22.8
313.14288	5.9
313.19830	2.1
314.07089	1.2
325.14349	20.1
337.14160	0.8
351.15787	1.8
475.11124	5.5
475.21127	19.1
475.32312	32.6
476.21146	0.8
476.32645	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03757	3.2
53.59568	3.4
55.05500	6.4
60.64084	3.6
61.03522	3.2
63.78942	3.3
65.58167	3.1
67.05492	5.0
69.03426	22.9
69.07062	9.9
70.59502	7.8
72.08134	4.7
79.05483	8.5
81.03411	8.9
81.07059	15.9
85.01622	3.5
85.02886	19.8
85.47908	3.1
86.29117	3.2
87.00833	7.5
91.05492	10.0
93.07050	10.7
95.08607	9.6
97.02885	11.4
97.06513	4.0
99.04452	6.8
105.01837	3.7
105.07044	13.0
107.04906	6.6
107.08604	17.9
109.02857	8.0
109.06548	5.5
109.10142	16.8
110.72369	4.6
111.07391	3.4
111.08111	5.0
115.03951	4.0
117.07040	5.3
119.08588	7.6
121.10134	13.6
123.11681	8.3
125.05986	5.5
125.09617	25.5
127.03919	14.1
133.10120	20.4
135.08072	12.5
135.11700	6.4
136.07579	3.6
137.05988	7.8
137.09610	5.8
139.28668	3.8
145.04951	7.4
145.10152	12.8
147.07945	5.1
147.11716	3.3
149.13255	4.7
151.07472	4.0
151.11171	15.5
153.09090	27.4
163.03911	3.6
163.11296	3.8
163.14783	6.8
164.07124	4.6
164.66765	4.0
165.09114	8.3
167.07040	5.4
173.13203	7.0
175.07523	7.2
175.14859	8.8
181.15767	3.6
191.14265	21.9
209.15343	43.7
227.16412	8.6
287.05478	13.3
299.05438	9.4
302.39130	3.4
314.79645	3.8
329.06430	7.9
334.57492	4.0
397.09183	9.5
475.22076	29.7
475.32779	100.0
476.32162	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	476.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
57.79947	0.5
61.02908	0.7
69.03427	2.7
70.06568	0.7
71.04978	3.5
71.43846	0.6
72.05303	0.6
79.05473	7.1
79.27188	0.5
81.03409	1.4
81.07029	1.0
85.02896	10.1
86.03208	0.5
91.05451	1.0
92.82974	0.6
95.04973	2.1
97.02871	3.4
105.04472	0.5
106.06542	9.0
107.04940	20.5
109.02862	1.3
109.06504	1.8
115.03917	1.1
123.04398	0.6
123.43382	0.6
124.07616	0.7
126.87376	0.5
127.03901	1.2
129.05464	1.5
130.05807	0.7
134.05060	0.6
134.05998	9.3
135.04393	10.0
145.04938	0.9
147.06505	0.6
152.07043	100.0
153.07379	1.8
169.29529	0.5
176.07022	1.1
194.08112	2.1
296.11304	2.1
314.12259	2.9
358.23206	0.6
358.45074	0.5
458.16489	1.3
476.17590	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.8
55.01844	0.9
57.03396	3.3
59.00986	0.5
59.51698	0.5
61.02921	3.6
69.03425	13.0
70.02908	1.8
71.04980	3.6
71.33897	0.5
73.02909	2.9
77.03903	0.7
79.05491	13.2
81.03418	5.4
81.07019	1.4
84.04445	0.8
84.08079	0.6
85.02895	29.0
86.03199	0.7
86.09684	0.7
87.04473	4.7
91.03899	1.7
91.05470	13.3
95.04914	2.2
97.02885	11.7
99.04397	1.8
106.06546	34.9
107.04946	33.5
108.05212	0.6
109.02827	2.5
109.06500	2.6
115.03891	2.4
118.06531	4.6
120.08088	0.7
124.07523	2.1
127.03904	7.8
129.05434	0.8
134.06004	27.7
135.04399	22.3
136.07581	3.3
145.04922	4.0
152.07054	68.0
153.05379	1.0
153.07346	1.0
158.42435	0.6
176.07024	2.5
194.08116	1.7
196.76114	0.5
296.11270	2.5
314.12296	100.0
315.12674	2.4
356.13358	4.3
442.82083	0.6
458.16537	6.4
476.17599	58.8
477.17947	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90206	1.8
56.42392	2.6
57.03430	21.0
59.04996	3.8
60.04512	2.9
61.02936	2.1
62.45764	2.2
69.03421	73.1
69.38364	11.1
76.55367	1.9
79.05496	4.0
81.03411	3.2
85.02897	56.6
87.03963	4.0
87.04460	51.8
92.53632	2.7
97.02888	65.6
103.05404	2.1
105.07043	7.2
107.04939	3.8
109.06558	2.3
115.03922	100.0
116.04248	1.8
118.25336	2.0
124.05199	10.8
127.03902	7.3
133.04951	93.6
133.06506	7.0
137.05966	17.1
144.06554	2.7
145.04964	9.2
150.07623	9.0
165.09103	35.4
189.09088	4.7
201.09113	3.0
207.10081	2.4
241.07040	3.0
243.10147	3.0
259.08182	3.3
261.10995	2.3
475.32413	12.6
476.15210	2.7
476.26599	3.3
476.32822	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	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.05502	4.8
57.03437	1.8
57.07053	1.0
59.05016	1.0
60.04516	3.6
67.05496	19.6
68.91211	0.9
69.03426	8.8
69.07060	4.6
69.10497	4.1
69.10889	2.2
71.04977	3.0
73.02917	1.9
79.05476	5.7
81.03407	16.9
81.07045	19.3
83.04996	1.4
83.08585	2.0
85.02902	11.1
87.00825	3.0
89.97701	0.9
91.05471	4.2
93.07032	9.4
95.04986	4.5
95.08598	15.3
97.02874	8.8
97.10159	2.1
98.22736	1.6
99.04453	4.6
99.08070	4.4
100.11276	1.8
105.01856	4.0
105.07006	5.7
106.05013	1.1
107.08569	10.0
109.02856	17.3
109.06496	3.7
109.10141	44.8
110.10478	1.5
111.04461	1.3
113.09648	1.8
115.03951	2.3
117.06998	1.5
119.08566	40.2
121.10124	3.0
123.11712	3.3
125.05970	2.1
126.40141	1.0
127.03898	14.1
132.18571	0.9
133.10107	62.7
134.10439	1.6
135.08073	2.8
135.11673	10.8
137.09596	100.0
138.09952	1.8
139.11180	1.4
145.04987	3.4
145.10098	1.2
147.08051	1.4
147.11699	4.0
151.11121	1.2
155.10625	5.5
165.09096	89.0
166.09439	1.9
173.79008	0.9
175.14793	59.4
176.15207	1.9
183.10191	5.5
193.15874	15.8
200.14227	4.6
201.11163	12.8
201.12709	1.1
203.10564	1.1
210.14818	1.1
211.16885	13.1
219.12248	1.2
231.04956	1.5
255.16791	1.0
291.12286	5.6
309.13254	46.2
310.13522	2.0
327.14334	18.2
345.15488	1.1
422.25452	2.5
434.38879	1.1
458.31042	1.8
475.32449	10.8
475.82693	28.0
476.23877	1.6
476.33145	10.6
477.17310	3.2
477.24020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68100	2.2
69.81561	7.6
70.81726	2.2
71.04987	15.0
73.82700	2.5
91.05457	3.3
98.07118	2.6
99.04436	100.0
106.04951	2.6
109.06466	3.6
120.74578	2.2
121.10108	3.2
137.05978	9.5
151.07529	6.2
157.06456	3.3
189.09122	5.4
193.10118	3.5
268.43924	2.6
270.37549	2.6
285.11273	5.3
313.14246	10.1
331.15253	7.8
370.31244	2.5
429.19009	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01875	1.6
55.05501	1.5
57.03431	1.2
58.43159	1.2
67.05498	2.7
69.03436	5.4
69.07063	1.6
69.47476	2.1
69.47858	2.1
71.04981	2.2
73.02916	1.2
79.05464	2.5
81.03422	5.4
81.07046	9.1
85.02891	13.2
87.00819	6.4
91.05473	5.1
93.07023	4.8
95.04913	1.2
95.08591	13.0
97.02883	4.7
98.23426	2.3
99.04459	2.0
99.08092	6.8
100.07674	1.3
105.01877	6.8
105.07024	8.4
107.08580	8.7
109.02863	4.5
109.10155	5.1
119.08566	57.0
123.11697	4.7
127.03912	6.8
133.10114	100.0
134.10463	1.8
135.11676	18.1
136.48956	1.1
137.09613	7.8
145.04942	4.6
145.10152	1.3
147.11708	2.2
159.02856	2.4
165.09096	6.4
175.14801	97.8
176.15099	2.5
193.15866	23.0
201.11191	1.2
211.16910	21.1
231.05011	2.2
232.26341	1.2
309.13419	2.6
316.37143	1.2
327.14108	1.4
471.28641	1.3
475.82611	22.8
476.32669	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	476.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.4
55.80021	0.8
59.50954	0.7
67.05498	1.7
69.07055	1.5
69.94403	0.8
70.22778	1.9
71.04976	1.9
79.05465	1.0
81.07039	5.3
91.05457	4.6
93.07034	5.2
95.08611	6.3
103.05477	1.3
105.07000	4.5
107.08572	8.7
109.10142	2.3
119.08556	17.0
123.11701	2.7
133.10110	100.0
134.10429	3.1
135.11676	18.9
147.11707	4.2
175.14801	75.8
176.15108	1.7
193.15860	46.8
194.16223	1.2
239.06688	0.8
277.22311	0.8
292.24338	0.9
358.52747	0.8
476.32312	3.9
477.24579	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89424	1.4
54.02249	1.3
55.05505	7.6
57.03427	4.5
62.06087	33.6
65.03922	1.1
67.05504	31.1
69.07065	8.5
69.12003	2.6
69.12411	6.2
71.08257	1.0
79.05486	20.0
81.07052	26.8
81.80214	1.1
83.04985	1.4
83.08620	2.2
86.15308	1.0
91.05473	11.3
92.45602	1.0
93.07038	24.0
95.04974	1.3
95.08607	20.6
96.51135	1.1
97.06551	1.8
98.06047	2.4
98.98463	11.1
101.34369	1.1
105.04573	1.3
105.07013	8.6
107.08600	11.1
109.10150	7.4
117.06989	2.8
119.08568	6.4
121.10129	8.1
123.11687	1.9
124.01596	1.8
131.08568	3.5
132.77765	1.2
133.10107	5.4
135.11684	4.5
142.02609	1.8
145.10124	1.7
147.11734	2.1
149.13280	2.3
155.01044	3.9
159.11719	2.7
161.13301	2.4
163.14809	1.3
167.67139	1.2
168.91368	1.2
173.02124	2.9
173.13280	2.1
198.05263	1.5
216.06436	2.7
236.26295	1.1
243.21170	2.7
261.22153	7.0
299.58899	1.2
304.26254	14.7
317.24719	1.9
335.25766	100.0
336.26099	3.8
347.54657	1.2
476.27249	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.277
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
50.00354	0.3
50.50286	0.3
53.03935	0.7
55.05261	0.6
55.05507	8.0
57.03183	0.5
57.03435	7.0
57.07058	0.8
62.06090	0.5
64.86059	0.3
65.03924	1.1
67.05499	29.1
68.05804	0.4
69.03429	0.4
69.06705	0.5
69.07061	7.3
70.55838	0.4
71.04977	1.1
77.03915	0.4
79.05482	15.1
80.05782	0.4
81.07047	24.9
82.07374	0.3
83.04951	0.8
83.08610	2.6
85.06475	0.3
91.05473	8.0
93.07033	15.3
95.04960	2.1
95.08595	18.6
96.08923	0.3
97.06525	1.0
97.10159	0.5
98.06060	0.5
98.98457	0.8
105.04523	0.6
105.07021	4.2
107.08584	6.8
109.06535	0.7
109.10136	6.6
111.08050	0.6
112.70830	0.4
113.81468	0.3
117.06993	1.1
118.54999	0.3
119.08556	3.1
121.10137	4.7
123.08043	0.4
123.11706	1.7
124.01593	0.7
131.08557	2.0
133.10104	2.0
135.11664	2.8
137.09566	0.3
137.13248	0.5
145.10135	1.1
147.11661	1.0
149.13254	1.4
159.11690	0.6
161.13225	0.7
163.14857	0.4
173.13274	0.6
185.14296	0.3
198.05048	0.4
216.06323	0.7
237.16029	0.3
238.95760	0.3
242.44250	0.3
261.22098	0.6
304.26257	2.4
335.25757	100.0
336.26041	5.0
336.86328	0.3
380.25760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.3
69.03411	0.6
71.45041	0.4
71.64838	0.3
73.02909	0.4
73.06549	1.6
85.02878	0.8
85.60460	0.3
87.04455	7.0
89.06013	100.0
90.06334	0.8
91.05429	0.3
91.07574	0.6
93.03207	0.3
95.08585	0.4
97.02878	0.3
107.07045	2.2
110.58495	0.3
113.16692	0.3
117.09102	0.7
123.04394	0.5
126.20274	0.3
127.03907	0.3
130.08588	0.4
131.07033	2.0
133.08577	61.5
134.08914	1.0
135.10106	0.8
137.05948	0.5
145.02855	0.5
147.08020	1.1
151.09563	0.4
153.05428	0.6
165.08994	0.5
165.86893	0.3
175.07347	0.4
175.09604	1.4
177.05408	0.6
177.11186	22.3
177.61526	0.3
178.11539	0.6
181.04892	2.3
221.08043	1.1
221.13850	3.4
233.11700	0.4
239.14850	1.1
251.09210	0.3
261.11194	0.4
265.16348	0.9
279.12100	0.8
283.17368	1.1
297.09619	1.7
309.18839	0.5
327.20013	0.6
371.22781	1.1
415.25439	1.6
459.21402	0.6
459.27859	9.7
460.28043	0.5
476.19620	1.2
476.25558	0.6
477.09863	0.4
477.17191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04113	1.4
70.10755	4.0
72.37077	1.5
73.38558	1.4
98.23455	1.8
98.97578	4.8
216.98668	1.7
237.02847	1.8
247.57318	1.3
256.30493	1.3
298.45099	1.3
391.97134	1.3
477.09970	100.0
478.10037	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	477.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92942	1.2
56.96553	3.3
57.03439	1.8
58.30772	1.0
61.02910	1.5
69.03413	4.0
70.06562	1.2
73.02882	1.1
82.34760	1.0
84.08155	1.2
85.02875	5.1
90.06693	1.0
91.93551	0.9
97.02869	7.2
98.97575	6.2
107.04938	1.0
110.97548	3.3
115.03909	2.1
116.98624	2.3
128.98627	2.4
137.05988	3.4
143.00140	1.4
143.01970	1.3
143.95570	1.1
145.04907	1.7
147.04419	1.4
158.99678	1.4
160.00407	1.5
170.99660	1.6
175.11903	2.8
177.00713	1.6
185.02998	1.2
189.00768	1.3
201.00652	1.5
204.01187	1.1
213.00713	1.5
218.94678	1.9
219.01666	5.5
220.02174	1.1
223.05016	1.5
230.49857	1.1
236.95718	2.4
237.02812	7.0
248.07187	1.2
279.03973	2.4
287.06299	1.1
289.05984	1.3
307.05048	4.5
315.04132	3.4
317.07355	2.5
318.07190	1.5
319.07059	3.1
320.97928	1.5
321.05389	1.3
324.04306	1.3
333.04755	3.4
340.05588	1.3
476.17764	1.2
477.09967	100.0
478.10239	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	477.1024
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
56.20323	0.3
61.25161	0.3
70.80029	0.4
72.08126	0.2
73.02931	0.3
79.38390	0.2
81.03418	0.4
81.07046	0.6
85.02897	0.6
86.09690	0.3
97.02872	0.4
112.49060	0.3
118.72485	0.3
119.08544	0.3
123.63790	0.3
127.03912	0.5
137.06010	0.7
138.75330	0.3
151.03879	0.4
153.01851	0.4
158.53606	0.3
163.41177	0.3
187.14473	0.3
229.04967	0.6
258.05215	14.9
259.05539	0.6
286.04684	34.0
287.05017	1.1
301.07031	100.0
302.07382	4.0
476.32767	3.5
477.10095	2.1
477.19424	0.8
477.32864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89510	1.5
53.81669	1.6
57.92963	1.3
62.63313	1.4
67.05503	2.5
69.51426	4.5
81.07051	2.9
86.18119	1.3
93.07014	1.9
95.08611	1.9
95.80719	1.7
104.32578	1.4
105.07063	2.4
107.08625	2.2
109.10164	4.5
112.41940	1.5
137.05995	1.4
147.11674	2.7
157.85953	1.7
166.52803	1.4
167.07022	2.0
179.03403	6.3
201.01680	1.4
205.04851	2.1
245.99231	63.4
247.00027	7.7
301.76892	1.5
315.15692	1.8
343.19394	1.4
408.04465	27.6
409.05240	100.0
410.05472	3.8
476.31094	16.3
477.11472	21.0
477.24783	3.3
477.31296	9.4
493.74008	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62793	1.4
57.95318	1.5
69.03419	3.6
69.87125	2.9
71.08891	1.5
79.05463	2.1
81.03386	1.7
85.02903	8.4
85.85759	1.7
86.09724	1.7
93.07012	2.7
94.06552	1.9
95.07328	3.0
96.08103	3.5
97.02891	3.7
98.23305	1.9
106.06505	2.6
108.08105	9.5
110.09690	7.5
116.39877	1.6
120.04449	9.6
120.08084	8.2
127.03917	2.0
134.06029	1.6
136.07558	23.9
138.09135	10.3
148.07547	5.7
152.07013	2.0
154.08627	23.7
162.05493	100.0
163.05743	1.5
166.08635	28.2
169.47287	1.7
227.11800	5.5
229.04736	3.3
255.11281	4.2
269.12823	4.0
273.12469	3.6
287.13721	3.3
297.12341	9.7
315.13370	56.3
316.13528	3.1
320.54355	1.6
477.09930	5.8
477.20129	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	477.1985
Annotation	Kanokoside A
Peak:m/z	Relative Intensity
58.69487	0.8
63.74730	0.7
64.15298	0.8
67.05501	1.6
69.94012	2.7
72.59701	0.8
81.07040	1.1
87.24432	0.8
87.77178	0.7
102.30167	0.7
104.65105	0.8
119.11781	0.7
120.96587	1.8
122.36499	0.7
124.93748	71.8
128.66660	0.7
142.94788	36.0
160.95982	0.7
198.97375	4.9
216.74449	0.8
265.12024	0.8
306.27930	2.2
375.24966	1.1
434.23312	1.5
459.11707	1.6
459.18683	13.3
460.18893	1.2
477.19818	100.0
478.20108	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	477.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
55.48504	0.9
57.07054	1.5
62.90198	0.8
66.73293	0.9
67.05497	1.7
69.03422	4.7
69.07066	9.6
69.67569	1.3
69.67897	2.2
70.06596	1.6
72.02993	1.2
73.02929	1.5
73.09121	1.1
79.05479	2.6
81.03396	1.6
81.07050	14.5
83.04974	2.3
84.08125	1.0
85.02896	4.2
85.06541	3.0
86.69035	1.0
87.04478	0.9
93.07073	1.0
95.08606	2.7
97.02847	1.7
97.06533	2.1
99.04455	2.2
99.08088	9.5
105.07023	1.1
107.08583	3.3
109.06506	3.3
111.08083	1.2
113.06015	1.9
113.37491	1.0
116.07079	0.9
117.05499	1.1
121.10130	7.5
123.08096	1.3
123.11694	3.4
125.09617	6.3
127.07552	2.8
137.05965	6.7
137.09576	1.2
139.11171	7.2
139.49403	0.9
147.11627	1.1
151.03914	1.2
153.11211	1.0
163.03860	1.2
165.12816	2.2
183.13791	100.0
184.14075	2.6
249.09897	2.6
249.12280	1.5
280.29538	1.1
315.13251	1.5
345.19141	7.2
429.95270	1.1
477.17368	4.1
478.12994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20723	1.0
52.38642	1.2
55.05510	1.2
57.03432	1.5
59.03112	1.2
59.89165	1.1
60.45790	1.0
67.05489	3.9
69.03414	3.5
69.07070	2.8
70.06588	6.6
71.44297	1.3
72.08141	2.4
73.02904	3.5
74.06095	1.4
77.03062	1.0
79.05492	3.0
81.03387	1.5
81.07048	5.0
85.02905	6.2
85.06529	2.3
86.09705	2.3
88.78473	1.1
89.03931	1.1
89.06030	2.1
91.05481	2.7
93.07056	1.9
95.08585	6.2
97.02874	4.8
97.06512	3.8
99.08089	2.2
105.03361	2.9
107.04930	1.9
107.08583	6.8
109.06503	3.5
109.10152	7.7
111.08076	3.5
115.03905	1.2
119.04954	1.5
119.08591	1.5
120.08105	3.8
121.10127	8.2
123.08070	2.7
123.11699	5.0
127.03907	1.4
133.04964	1.2
135.11705	2.0
137.06023	1.7
137.09605	8.6
137.13228	3.2
139.11143	9.1
147.11652	4.0
149.05975	4.8
152.07095	1.6
153.07352	1.3
162.05562	1.9
163.03918	2.1
164.07065	2.2
165.09131	4.7
165.12746	6.6
167.07059	1.8
182.08199	1.8
183.10326	3.1
183.13782	100.0
184.14131	2.4
231.11272	1.4
255.11012	1.2
315.13101	2.1
422.90097	1.4
435.72134	1.3
449.80936	1.3
459.13922	1.1
477.10065	3.6
477.17453	4.8
477.24319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2457
Annotation	BAY-60-7550
Peak:m/z	Relative Intensity
52.78478	0.3
55.05513	0.4
67.05489	0.4
67.76419	0.3
69.03422	0.4
69.07059	0.5
70.04069	0.4
71.04979	0.4
72.08145	0.6
81.07056	0.8
85.02879	0.6
91.05460	0.4
93.07037	0.9
95.08615	0.6
99.04452	1.3
105.07008	0.5
107.08572	0.4
109.10167	0.5
119.08549	0.8
131.08553	0.5
145.10143	0.4
147.11694	0.6
148.12010	0.3
161.68054	0.3
162.05513	0.3
165.09053	0.6
210.99976	0.3
255.59361	0.4
273.12317	0.7
277.04681	0.4
311.01849	0.4
315.13321	1.2
315.19327	0.8
384.28632	0.4
393.72940	0.4
447.23584	3.2
477.24542	100.0
478.24850	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	478.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	19.8
58.39065	3.5
66.29469	3.7
67.60249	4.7
69.03424	9.2
71.04984	65.2
73.02929	4.5
75.04439	4.7
76.96159	3.9
83.04977	8.6
85.02889	100.0
87.80768	3.6
97.02862	9.9
115.03941	8.5
121.02850	12.2
127.03845	4.4
129.05464	36.0
147.06531	21.8
149.09604	4.7
153.05461	16.2
175.16838	4.5
181.04938	11.3
182.05272	5.8
183.05508	7.4
233.40315	3.7
243.08736	6.7
244.09532	22.1
299.10382	5.4
313.24771	4.2
317.06537	33.4
379.16174	9.9
398.24728	4.2
479.31857	6.4
504.98022	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	478.228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91642	3.3
57.03437	4.1
69.03105	4.7
69.03425	48.2
69.49763	15.4
75.04488	4.0
79.05466	4.9
79.88910	4.3
81.07034	3.8
85.02898	4.8
85.47742	3.7
91.05489	6.8
93.07034	46.3
97.02881	68.2
103.20488	4.3
115.03917	100.0
121.10126	37.9
137.05957	5.4
138.94724	3.2
149.09596	8.5
167.10614	6.6
189.07521	10.6
266.08969	3.4
281.13815	55.8
464.78317	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	478.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55043	2.6
53.03916	2.5
57.03425	5.5
69.03419	61.7
75.04425	3.3
77.77304	2.3
79.05480	9.4
81.03364	2.4
81.07031	3.7
85.02903	7.3
91.05456	9.4
93.07029	55.4
95.04952	5.0
95.08620	2.6
97.02879	99.3
98.22710	8.1
105.07027	4.9
107.08588	3.5
111.08159	2.8
115.03914	100.0
119.05097	2.9
121.10124	47.1
149.09605	8.1
167.10684	10.3
189.07550	9.0
198.54135	3.2
265.15289	3.1
281.13788	86.3
312.79471	2.4
479.15372	8.6
481.36203	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	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.14454	0.7
53.03928	1.0
53.32674	0.7
55.05504	11.3
57.03440	7.3
57.07069	1.5
59.96087	0.7
62.06076	0.8
65.03897	0.8
67.05500	27.0
67.35818	0.7
69.06701	1.2
69.07062	15.8
69.95899	0.8
69.96233	1.8
71.04994	0.9
74.34952	0.8
79.05486	6.6
81.07047	27.0
82.07372	1.1
82.21307	0.7
83.04957	2.0
83.08613	7.7
85.06575	0.8
91.05474	4.0
93.07023	7.6
95.08594	17.3
97.06504	1.7
97.10156	3.1
98.23395	1.1
103.08496	0.7
105.07021	3.1
107.08582	4.3
109.10139	7.7
110.45200	0.9
113.14376	0.7
119.08553	2.6
121.10128	1.6
123.11685	2.9
133.10156	1.2
135.11644	1.2
137.13223	1.4
147.11641	1.2
149.13274	1.1
151.14816	0.9
161.13286	1.1
263.23563	1.4
306.27921	3.8
337.27325	100.0
338.27802	4.3
346.44272	0.7
380.50525	0.8
474.25327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05507	12.1
57.03437	4.1
57.07095	1.6
62.06086	33.1
67.05500	26.2
69.07053	12.3
70.09558	1.9
70.09873	2.8
79.05478	5.9
81.07055	29.5
83.08600	4.5
91.05469	4.3
93.07024	8.1
95.08592	23.7
97.06543	2.1
97.10162	4.0
98.06057	2.5
98.98453	8.9
99.08062	1.7
105.07031	3.9
107.08575	5.3
109.10154	10.0
119.08549	2.3
121.10120	2.5
123.11660	2.9
124.01648	3.0
133.10161	2.6
135.11679	3.2
147.11691	2.2
154.99925	1.6
155.00969	8.4
173.02116	2.4
245.22658	2.5
263.23645	5.3
306.27960	15.0
337.27335	100.0
338.27689	4.9
460.27832	4.2
463.45053	1.8
478.29001	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	479.0819
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
52.37164	0.3
53.03930	0.3
55.01859	0.4
57.03420	1.2
68.99785	1.0
69.03415	0.8
71.01346	3.0
73.02908	3.9
75.04471	0.5
81.03414	0.4
85.02896	9.5
86.09721	0.4
91.36949	0.3
93.03413	0.4
93.07053	0.4
95.01310	1.3
95.04954	0.7
97.02872	1.1
99.00814	0.7
99.04482	0.3
101.02353	0.8
103.03943	0.9
103.67690	0.2
107.04975	0.2
109.02888	0.4
111.00793	1.1
111.04296	0.2
111.86223	0.2
113.02359	3.8
121.02847	1.0
121.10117	0.7
123.04427	0.6
124.39214	0.2
127.03891	0.6
131.03386	2.1
135.04410	0.5
137.02325	4.1
137.03363	0.4
137.05962	0.5
141.01810	1.7
145.06474	0.2
149.02367	0.6
153.01819	4.5
155.04860	0.4
159.02933	1.3
161.05937	1.2
163.03894	1.1
165.01840	2.5
173.05949	0.7
177.05409	0.4
183.02875	1.0
183.04387	0.5
187.03905	0.5
187.06004	0.4
195.02896	0.3
201.05447	2.9
203.07021	0.8
205.04924	0.3
219.06563	0.3
227.94109	0.3
228.04224	0.4
229.04924	5.3
247.05934	0.6
257.04431	3.1
258.04910	0.3
274.04730	0.9
275.05420	0.4
285.03888	1.6
303.04947	100.0
304.05301	3.9
309.79568	0.3
315.05112	0.3
478.38898	0.3
479.14627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.23060	0.5
54.09632	0.4
55.01853	0.6
57.03419	1.5
58.23304	0.4
61.02913	1.2
61.29235	0.5
68.99740	0.5
69.03425	3.0
69.71350	1.0
69.71712	0.9
70.64592	0.5
71.04971	0.6
72.08133	0.8
73.02916	0.7
81.03400	1.9
85.02895	9.8
91.03944	0.9
91.05473	1.4
93.03381	1.0
93.07065	0.9
94.79873	0.5
95.62999	0.5
97.02892	4.4
99.04456	0.9
103.05408	0.6
105.06990	0.8
107.04934	0.6
109.02873	1.2
117.07008	0.6
121.02881	0.9
121.10047	0.7
127.03907	1.4
133.02827	1.5
137.05971	2.5
139.03891	1.1
145.04942	1.8
151.03917	1.3
151.07530	1.6
153.01808	6.3
156.60397	0.5
161.05988	1.6
165.01721	0.5
165.09087	1.2
177.05403	0.7
189.09064	0.6
195.10110	0.7
201.05473	0.8
205.04926	5.5
216.94492	0.5
218.05885	0.7
228.04105	1.5
229.04951	3.1
229.08551	0.5
235.16837	0.5
245.04506	0.8
246.05165	1.2
253.08537	0.5
257.04483	1.8
273.03891	1.6
274.04715	3.7
285.03958	3.1
301.07022	0.5
302.04184	14.2
317.06512	100.0
318.06815	3.8
341.13953	2.4
393.74475	0.5
479.15536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
56.96558	0.7
57.03445	0.6
61.02930	0.8
69.03407	3.4
70.03771	0.4
71.04993	1.0
71.40868	0.6
73.02916	1.0
75.54641	0.4
81.03424	0.9
81.08427	0.4
85.02885	3.9
87.04497	0.7
97.02885	6.6
98.97582	0.8
101.00887	0.8
102.96886	1.3
103.39628	0.5
109.02901	0.6
115.03956	1.6
116.01400	0.7
119.01917	0.6
127.03934	1.4
128.51454	0.5
129.10231	0.5
130.74487	0.5
131.01913	1.2
134.01381	0.5
135.02213	0.6
137.01866	2.8
137.51941	0.8
143.01877	3.4
143.51932	0.8
144.02696	1.1
145.03447	1.3
145.04951	1.1
146.99590	0.8
149.01929	2.3
150.02719	0.8
152.02434	1.3
155.01811	2.9
156.02733	1.4
157.03491	1.2
158.02467	2.1
158.52571	0.7
161.01848	1.1
161.03040	1.9
162.02716	0.9
164.02400	2.7
164.52518	0.6
165.03252	1.5
169.02373	0.7
169.03578	1.1
169.52660	0.5
170.02446	2.1
170.52567	0.8
170.99753	0.6
171.03265	1.0
173.02936	3.9
174.98877	0.9
176.02448	2.0
177.03333	0.7
178.03000	1.0
179.03020	2.0
182.02466	0.5
185.02914	2.8
186.03789	0.7
187.04480	1.0
187.10075	0.5
188.03506	0.9
189.00659	0.8
191.02934	1.2
192.99989	0.7
194.03477	0.6
197.02965	1.5
200.03462	4.0
200.53632	1.1
201.03487	0.6
203.04054	2.2
204.03810	0.9
207.04352	1.1
209.04085	2.2
211.04594	0.9
213.04335	1.3
215.04027	1.9
219.01900	0.8
220.54347	0.5
220.61549	0.5
221.05052	1.6
222.04884	0.6
223.01271	0.6
223.04440	0.7
227.04089	2.0
228.04849	0.9
230.04681	1.1
231.01942	0.9
236.04620	1.9
237.03012	0.9
237.05232	0.6
241.02249	0.6
241.04541	0.6
242.04768	0.8
243.05190	0.6
245.05026	3.5
248.05472	0.7
249.56015	0.7
250.05051	3.3
250.55249	3.5
251.05211	1.7
255.02014	1.1
257.04883	0.5
260.05515	1.2
260.55875	1.0
271.06735	2.0
272.05576	0.7
287.06186	1.8
288.06177	0.5
294.06927	1.5
299.06113	4.6
308.06631	3.1
308.56866	0.8
309.06329	0.5
315.07480	1.0
317.07108	11.3
317.57269	1.6
318.07410	0.5
329.07101	3.1
330.07303	0.5
333.04977	1.8
335.08353	0.9
338.07620	8.9
338.11292	0.7
338.57773	3.6
339.07889	1.2
344.07712	0.5
344.57886	0.5
353.08240	1.7
357.05493	0.6
359.08218	16.6
359.58234	4.4
360.08423	2.1
368.08780	1.7
368.59012	1.4
374.08713	3.0
374.58737	1.1
389.09741	5.9
389.59442	1.8
390.09311	0.6
397.60388	0.7
419.11591	4.6
461.12506	0.8
478.62790	3.1
479.13739	100.0
480.13940	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	479.1732
Annotation	ZHD-0501
Peak:m/z	Relative Intensity
54.42334	0.4
56.05030	0.3
69.03416	0.3
70.06588	1.0
71.05014	0.3
79.05506	0.3
81.17471	0.3
84.08143	0.4
85.02901	0.4
86.09726	0.4
91.22024	0.3
98.97594	0.3
106.30080	0.3
110.07201	0.4
120.08119	0.3
121.02921	0.3
121.06451	0.4
131.39452	0.3
134.03650	0.3
136.07617	0.4
137.06013	0.3
138.09178	0.4
143.08144	0.3
145.19182	0.3
151.06314	0.5
168.06635	0.8
185.07889	0.5
287.08081	0.3
287.11057	1.4
317.08536	1.1
317.14813	0.4
317.18109	0.6
347.13095	9.3
348.13464	0.3
419.15289	7.1
464.14435	0.3
479.17441	100.0
480.18369	4.8
495.04526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
57.03425	9.6
61.02908	1.4
69.03400	2.6
69.45422	5.6
71.04984	83.8
72.08144	1.4
73.02890	3.0
74.18023	1.1
75.04467	4.4
81.07035	1.8
83.04972	6.9
85.02892	100.0
86.09716	2.6
87.04454	2.8
88.72578	1.2
93.07044	2.8
95.08582	2.2
97.02872	3.0
99.04401	1.7
102.27104	1.1
105.07001	1.8
107.08572	1.9
109.10182	1.8
111.04427	3.9
113.02393	1.1
120.08096	3.5
121.10143	3.3
123.08034	1.6
123.11663	1.4
127.03947	2.4
129.05466	44.2
130.05823	1.2
136.07552	4.4
137.04688	3.0
137.05946	1.8
145.04947	3.4
147.06506	16.2
152.07013	1.4
154.04955	14.2
164.06964	1.4
164.09224	6.6
169.12082	1.5
189.09106	1.4
347.16730	2.3
374.99136	1.3
479.19293	43.0
479.31250	2.1
480.20273	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	479.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.9
62.66177	0.9
65.03941	1.1
67.05485	2.4
68.20795	0.8
69.03416	1.6
70.00402	1.6
70.00719	1.3
71.83759	0.9
79.05490	5.8
81.03416	1.2
81.07036	2.8
91.05470	18.9
93.07021	3.9
94.04198	4.2
95.04958	3.2
95.08585	1.5
97.06565	0.9
98.22795	1.5
103.05437	2.0
105.04476	1.3
105.07024	4.0
107.04950	3.4
107.08569	2.5
108.05721	2.4
109.06519	2.8
115.03886	1.1
115.05434	5.8
117.07020	4.4
119.04931	10.7
121.06479	6.8
122.03619	8.8
123.04389	1.9
123.08049	5.7
123.11701	1.3
125.09620	1.1
128.06181	1.9
129.06995	5.7
131.04910	3.7
131.08540	1.8
132.05750	1.0
133.06461	1.4
135.08012	3.3
136.05162	3.2
137.05959	100.0
138.06372	1.3
143.04893	3.3
145.06476	4.0
147.04398	1.1
147.08044	1.1
149.05978	4.2
149.09650	2.8
151.03925	4.4
151.07523	65.1
152.07890	1.7
153.06883	1.7
157.06503	2.7
159.08009	1.1
161.05952	22.0
161.09610	3.6
162.06718	1.0
163.07474	5.7
165.06975	2.4
165.09103	4.4
166.07637	1.3
167.07106	0.9
167.08601	1.2
174.06734	3.1
175.07553	6.0
177.06972	1.0
177.07581	0.8
177.09084	7.3
178.07768	1.1
179.08508	2.0
181.06407	2.1
182.07230	1.3
187.07545	3.5
189.09062	12.4
191.06993	1.0
191.08562	1.2
192.04494	0.8
193.06488	2.0
194.07314	1.8
194.54729	1.2
195.08104	3.1
195.10127	38.5
197.05963	1.4
201.73845	0.9
205.04878	1.9
205.06493	4.0
205.08571	2.5
206.07204	1.0
207.08096	2.4
207.10149	6.9
210.06718	1.6
211.07536	3.1
217.10182	1.2
219.08031	2.7
221.05948	1.9
222.06706	2.4
223.07477	1.9
224.08185	1.7
225.08994	2.1
226.09827	1.1
227.10660	1.0
233.05934	3.8
234.06694	1.4
235.07469	2.0
237.09019	9.0
238.06133	1.2
239.06990	1.2
239.10631	1.2
240.07845	0.9
241.08571	1.6
245.09711	1.9
247.07484	1.5
249.09151	2.2
250.06197	2.6
251.07002	2.3
251.10518	1.0
253.08586	5.6
254.09277	1.0
255.06270	1.1
255.10123	1.8
263.07028	0.9
263.10632	1.0
264.07477	1.1
265.08582	18.8
266.09076	1.4
267.10098	3.7
268.07309	1.6
269.07941	2.7
269.11795	1.1
270.09003	1.2
273.08850	1.3
273.11392	1.5
277.08575	1.6
277.12042	1.3
279.10156	2.6
281.08118	1.3
283.09534	8.4
284.10345	1.2
285.11212	11.7
287.12769	1.6
291.10495	0.9
297.11203	18.7
298.11819	1.3
299.12772	3.4
305.11652	3.3
309.11386	1.9
311.12720	12.0
317.13852	7.2
323.12927	5.2
337.14273	3.8
341.14127	1.5
355.15125	3.0
366.20059	1.1
433.16736	1.2
437.65961	1.0
479.20132	3.1
479.25980	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	479.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64009	0.7
67.05497	1.4
69.07042	1.0
70.67960	1.3
73.14854	0.6
78.38869	0.7
79.05486	1.1
81.07055	1.8
91.34155	0.8
93.07043	1.2
95.08598	2.0
109.10156	1.0
109.33609	0.7
124.93768	66.5
142.94814	36.2
142.95966	0.9
159.11745	0.7
162.85245	0.6
173.13165	0.8
198.97424	5.4
211.72353	0.7
213.93880	0.7
220.70987	0.7
220.87503	0.7
305.68753	0.8
308.29501	1.7
461.20383	16.6
461.42288	0.7
479.21445	100.0
480.21869	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	479.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41855	2.6
69.82433	2.2
71.41383	2.4
72.08148	100.0
77.98935	2.4
85.02882	12.8
89.07150	3.1
89.10787	45.6
89.46054	2.0
90.05546	5.2
92.43047	2.6
97.02904	4.9
115.03965	6.8
127.03918	3.1
139.03903	4.0
145.04930	2.7
158.99648	2.9
240.43539	2.5
274.28250	2.6
317.08377	3.9
445.69003	2.6
449.06506	2.4
479.13705	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	479.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63245	73.4
69.63651	45.0
81.07071	28.9
86.09702	43.0
95.08607	44.2
107.09796	24.9
124.93787	58.2
149.02362	44.4
179.03670	25.6
194.92413	31.8
262.21027	25.8
314.56628	31.9
322.68384	37.9
408.10510	28.6
479.13943	42.4
479.20657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89677	1.3
70.05064	3.6
81.07012	1.5
82.64976	1.1
96.75017	1.3
134.07860	1.1
154.99709	1.0
185.04185	5.7
185.58635	1.3
209.72702	1.1
299.19778	12.4
317.20825	93.2
318.21179	3.3
479.14597	2.8
479.26077	100.0
480.26096	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	479.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.6
63.05645	0.6
67.16859	0.6
69.03423	1.7
69.20779	1.6
69.21188	2.0
81.07037	1.0
85.02895	1.3
87.04476	0.7
95.08614	1.8
107.04952	0.6
107.08618	0.7
115.03914	1.4
123.11710	1.8
133.04933	1.1
137.05916	0.7
145.34018	0.6
165.09129	2.1
224.61011	0.6
280.05652	0.6
317.20755	0.8
449.25089	1.6
479.13986	4.9
479.26083	100.0
480.26428	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	479.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11575	0.4
55.01868	0.5
55.05504	0.6
56.51646	0.5
56.99657	0.4
57.02282	0.4
59.37963	0.4
59.38260	0.4
65.03956	0.5
66.92603	0.5
67.05485	0.5
69.03419	0.9
69.07063	0.5
69.53738	0.4
70.03127	0.6
70.03453	1.0
70.19080	0.4
79.05492	1.8
81.07039	0.8
87.04446	0.7
91.05473	7.1
93.07036	0.9
94.04173	1.2
94.32673	0.4
95.04967	1.3
97.02899	0.5
103.05465	1.1
105.07016	1.1
107.04960	1.1
107.08565	0.9
108.05784	0.8
109.06543	1.1
111.77439	0.4
112.15530	0.4
115.03954	0.9
115.05482	1.4
116.06259	0.5
117.07015	1.5
119.04930	4.1
120.60232	0.4
121.06485	2.5
122.03635	3.2
123.08064	2.0
124.26769	0.5
128.06262	0.6
129.07018	1.9
131.04951	1.2
131.08588	1.1
133.04927	0.9
133.06491	0.5
135.08066	0.9
136.05211	0.8
137.05965	34.9
143.04922	0.6
145.06482	1.1
146.03670	0.4
147.08018	0.6
149.06003	1.2
149.09604	0.9
151.03891	0.9
151.07523	24.1
157.06503	1.3
158.75883	0.5
160.05223	0.6
161.05962	6.3
161.09535	1.2
163.07486	2.8
165.07059	0.9
165.09143	1.6
167.08575	0.5
174.06790	1.3
175.07570	1.7
177.07036	0.9
177.09065	3.0
178.07738	0.5
179.08528	1.0
181.06541	0.7
182.07281	0.6
187.07559	1.0
189.09102	4.6
191.08652	0.6
191.10667	0.6
194.07254	0.6
195.08260	0.9
195.10129	11.9
201.03596	0.6
204.79076	0.5
205.06497	1.9
205.08437	0.9
207.08276	0.7
207.10193	1.9
210.06812	0.5
213.09201	0.6
219.08005	0.8
221.05995	1.4
222.06784	0.9
223.07558	0.8
225.08968	1.0
233.05951	0.9
234.06583	0.8
237.08984	2.2
238.06241	0.5
240.07727	0.6
241.08493	0.6
245.09573	0.7
247.07645	0.6
249.08940	0.6
250.06389	0.7
251.07098	0.8
253.08499	2.2
265.08557	5.4
266.09402	0.7
267.10129	1.1
269.08084	1.1
269.11697	0.6
271.09644	0.6
273.11484	0.8
277.08652	0.6
283.09421	2.4
285.11154	4.0
291.10080	0.5
293.11780	0.5
297.11197	6.5
298.11725	0.8
299.12781	0.5
301.21210	0.8
305.11588	1.0
309.11136	0.8
311.12744	4.2
317.13742	1.9
317.20538	0.5
323.12744	1.3
337.14349	1.5
343.15335	0.5
355.15091	0.5
403.15393	0.7
429.16635	0.5
435.17896	0.7
449.24979	1.5
461.19611	0.5
479.14188	3.6
479.26108	100.0
480.26346	5.0
504.66663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74257	0.6
71.32683	0.9
86.09682	1.4
98.23325	0.7
104.10721	1.4
126.18317	0.6
178.39420	0.7
219.17570	1.0
387.24869	1.9
393.22418	16.1
461.28671	42.7
462.28967	3.6
479.29739	100.0
480.30011	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	480.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70754	0.4
58.97815	0.3
70.06596	0.5
77.10559	0.3
84.04527	0.4
84.08138	1.0
85.02900	0.9
86.09696	0.6
86.42075	0.4
89.94466	0.5
103.05408	0.5
105.07003	0.5
113.88520	0.4
120.08076	0.8
121.06506	0.9
126.40524	0.4
129.10226	0.4
131.04927	1.2
133.02805	0.8
136.07584	0.8
137.05952	0.5
145.04939	0.4
147.04381	0.5
161.05963	1.7
162.06750	0.7
187.07507	0.7
193.03235	1.0
219.04785	1.0
283.06149	0.4
331.09995	1.0
459.40912	0.4
480.14694	100.0
481.15155	5.1
481.22006	0.6
490.54361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
55.99994	1.3
57.03432	1.5
59.01422	1.4
64.23859	1.4
65.03936	5.4
66.77854	1.6
69.03442	3.3
70.06598	3.8
71.04962	1.3
71.41537	2.4
72.08154	2.1
73.02915	6.4
74.06091	3.8
79.05473	7.2
81.07049	4.8
85.02905	6.5
86.09701	2.7
91.05473	58.7
91.06067	2.9
93.07059	4.5
94.04187	1.7
95.04974	6.2
95.08611	1.5
97.02882	4.2
103.05437	7.9
105.03399	12.1
105.07018	12.2
106.06555	3.8
107.04952	12.2
107.08582	1.9
109.02946	1.7
109.06483	14.3
110.07170	2.2
115.03941	4.0
115.05501	2.8
118.04173	1.8
119.04932	76.8
119.08605	1.7
120.05203	1.5
120.08094	11.8
121.02924	1.6
121.06476	7.3
122.03638	3.7
123.04420	1.8
123.08079	5.8
123.11723	6.1
127.03947	1.5
130.04117	1.7
131.04924	6.9
131.05913	2.4
133.02840	2.2
133.06497	7.8
133.10083	2.9
134.05991	2.3
135.04408	3.4
135.08101	1.8
137.05963	100.0
138.06361	2.7
145.06523	3.7
147.04393	32.8
147.07948	2.3
149.05946	7.4
149.40886	1.6
151.07520	38.7
151.11143	8.3
152.07039	20.0
152.08035	1.8
157.06601	1.6
159.08080	2.9
160.05162	2.2
161.05963	33.6
162.06735	15.4
163.03922	2.0
163.07542	3.1
165.05443	2.2
167.07025	2.3
169.12215	11.3
173.05914	1.8
174.03488	1.5
175.07541	20.4
179.07008	38.4
185.14546	1.7
187.07550	12.9
189.09177	1.7
190.06221	1.5
191.08553	2.1
193.03143	7.6
193.08563	7.8
195.65144	1.5
203.08585	2.5
205.08597	19.4
219.08086	4.7
231.08018	2.6
235.09621	3.6
247.07703	2.6
248.08434	1.5
251.10660	3.4
259.07605	2.3
279.10156	6.0
290.38998	1.6
291.10101	2.7
297.11237	3.1
309.11142	15.0
311.12631	7.8
323.12802	2.8
329.13840	3.4
341.13800	4.3
436.97464	1.7
480.13498	6.7
480.19781	2.8
480.29333	3.6
481.16553	2.1
501.06653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.2
65.03930	4.7
70.58608	2.6
70.58927	2.5
71.04955	1.9
77.87259	1.8
79.05484	5.7
81.07058	2.0
85.02888	2.6
91.05477	59.7
93.07047	4.1
94.04183	2.7
94.95413	2.0
95.04976	5.1
98.89581	1.8
103.05466	7.2
105.03413	10.1
105.07024	11.9
107.04953	7.7
109.06508	17.3
115.05507	2.3
117.07008	2.0
118.04168	1.8
119.04930	77.6
120.05338	1.9
121.06495	7.0
122.03652	7.2
123.08051	6.0
130.04089	2.0
131.04961	5.9
133.06500	11.2
135.08055	3.8
137.05965	100.0
138.06340	2.1
145.06470	2.1
147.04398	27.6
149.06007	8.7
150.06738	3.3
151.07530	46.7
159.08070	4.3
160.05110	3.3
161.05980	39.2
161.07309	2.9
162.06778	10.9
163.07596	2.6
165.05475	3.2
169.12294	3.1
175.07526	22.4
177.09218	2.6
179.07021	43.8
179.08456	2.0
187.07562	13.1
193.03120	11.2
193.08601	7.3
203.08682	2.3
205.08563	19.1
217.08603	2.6
219.08069	4.0
235.09723	3.5
248.08479	2.6
251.10817	2.5
263.10760	3.2
265.08502	2.0
279.10178	5.8
282.98880	1.9
289.89658	2.1
291.10321	2.7
309.11139	15.7
311.12741	5.9
318.36975	2.0
329.13855	4.4
341.13855	6.5
350.55774	1.9
432.63901	2.0
479.31821	8.5
480.32449	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	480.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	8.1
57.73424	2.4
61.02918	2.9
64.34420	1.9
69.03421	26.0
69.19289	13.8
71.04984	46.3
73.02898	3.4
75.04484	4.6
80.69727	2.2
81.03397	5.0
83.04985	4.6
84.08111	3.2
85.02893	100.0
87.04459	4.0
88.16930	1.9
91.05485	3.5
97.02882	15.6
99.04450	2.4
99.20807	2.1
109.02853	3.7
111.04415	5.7
121.02884	5.9
121.06487	20.3
124.69887	2.0
127.03871	13.3
129.05486	19.1
132.08078	2.4
133.06432	2.6
137.05933	15.1
145.04898	14.2
147.06555	12.4
151.07509	4.3
161.05978	4.6
163.06007	6.6
165.05421	3.8
167.07033	2.8
179.07053	12.0
187.07486	8.1
188.06915	2.4
205.08595	5.9
221.08022	4.6
229.08513	2.3
244.26735	2.2
247.09554	14.8
265.10678	8.4
283.08017	2.6
295.06055	2.8
313.07062	3.0
480.14377	9.1
480.28802	4.4
481.77094	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36172	3.1
55.01869	11.3
55.05501	9.4
57.03426	21.6
57.07046	3.7
59.04998	3.8
61.02911	19.8
67.05496	30.2
69.03419	40.6
69.07057	12.2
70.09901	9.6
71.01361	4.6
71.04980	6.8
71.08640	4.1
73.02496	4.6
73.02909	93.2
79.05486	4.5
81.03414	14.0
81.07052	54.8
83.04976	7.8
83.08631	4.9
85.02895	94.1
87.04475	9.2
88.50736	4.1
91.03981	4.2
91.05480	6.2
93.07033	13.5
95.04985	7.4
95.08598	59.5
97.02885	73.1
99.04456	5.3
99.08114	7.8
100.11243	5.8
105.07026	7.7
107.08594	9.1
109.02895	9.7
109.06534	5.4
109.10139	43.1
113.39711	3.7
115.03925	32.5
119.08612	5.8
121.06482	4.5
121.10152	6.1
123.11702	100.0
125.06044	4.9
127.03912	29.7
131.08534	4.5
133.04944	43.2
133.10114	5.1
137.05988	6.6
137.09599	24.4
145.04930	35.8
149.13303	3.7
151.11162	37.3
151.13687	6.2
151.14789	45.0
152.11580	3.7
152.13040	3.8
154.12288	4.2
155.10648	4.4
159.11609	3.4
163.05988	12.1
165.09096	24.7
169.12170	31.1
169.15800	21.4
183.10228	6.1
186.45517	4.4
201.11183	11.9
223.05946	7.1
241.07083	8.9
247.13188	7.0
259.08237	8.1
265.14590	4.6
269.17490	12.6
283.15463	7.5
480.19348	7.2
480.25449	6.2
480.26801	8.0
481.37122	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	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	10.0
58.05575	5.6
59.65645	6.5
60.04501	7.5
60.66222	6.6
69.03422	19.9
69.10059	45.4
71.04985	11.4
73.02896	18.6
73.74171	6.2
81.07044	45.1
82.59513	6.6
83.04968	100.0
85.02898	32.3
86.09699	38.0
87.04470	8.4
91.05445	18.9
93.07047	48.1
95.08603	7.7
97.02888	18.3
105.07007	9.8
107.08571	14.5
109.06506	7.3
109.10130	10.6
111.08069	10.5
115.03934	16.7
118.06563	6.1
120.08088	92.8
121.10168	7.8
123.11685	40.2
133.04956	9.3
133.10136	11.6
137.05952	21.9
138.09193	7.5
146.05981	7.8
151.11176	48.4
166.08601	15.5
169.12210	28.0
173.12820	27.4
182.35321	6.6
201.12329	8.2
234.12296	7.6
242.44933	6.7
272.12177	6.4
281.11160	9.9
307.02246	6.0
327.13364	9.8
402.58994	7.7
480.13449	9.4
480.27826	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	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	15.7
67.05493	6.6
69.03418	57.6
69.07063	32.3
69.07381	5.9
69.19604	7.3
69.20007	18.7
73.02886	4.7
79.05476	6.1
81.07046	23.0
85.02905	43.9
87.04469	35.1
87.64494	4.2
91.05460	29.7
92.05818	8.9
93.07023	7.8
94.01313	3.7
95.08600	13.2
97.02882	44.9
98.22686	10.4
105.07028	9.1
106.07423	5.1
107.08666	6.8
109.06542	5.7
109.10157	10.3
115.03901	52.2
119.04936	6.6
119.08563	4.8
121.06479	7.1
121.10172	7.0
122.03671	8.4
123.08015	5.2
123.11685	30.5
127.03922	7.1
130.04765	4.4
131.04938	4.8
133.04953	63.9
133.06467	6.9
133.10106	5.8
135.08061	5.4
137.05959	100.0
138.06302	39.2
145.04945	7.8
151.07506	66.2
151.11179	25.4
152.07874	27.6
159.07936	6.3
161.06004	14.6
161.09546	5.3
170.56464	5.1
175.07524	6.6
177.09029	5.4
178.09415	5.0
179.68584	4.7
189.09123	9.0
190.09389	8.5
195.10185	17.3
196.10481	13.0
205.06316	6.2
207.10162	6.7
235.07445	5.5
238.09221	4.8
253.08687	5.1
265.08688	7.6
266.08917	14.6
269.44000	5.2
281.71475	5.7
285.10977	10.5
286.11575	11.6
297.11142	4.9
298.11487	14.7
312.12997	9.4
320.35721	4.8
338.14734	6.2
480.25223	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	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32559	5.1
57.03431	20.6
59.73473	5.1
67.05506	7.7
69.03421	60.3
69.07063	10.8
69.50435	23.6
77.12930	5.0
81.07049	31.1
85.02899	55.4
87.04467	41.6
95.08607	18.2
97.02883	64.1
99.04450	6.2
101.88270	5.8
102.29345	7.0
109.06542	8.4
109.10171	12.9
115.03918	94.3
115.98673	5.8
123.11690	100.0
127.03919	7.5
133.04958	73.4
137.05943	27.5
145.04845	6.5
151.07558	7.6
151.11183	30.9
151.14798	14.6
161.05994	7.6
167.07030	9.8
169.12198	39.6
169.15916	8.4
174.21132	5.5
215.92137	5.4
265.14297	7.1
277.09149	5.6
278.43021	6.1
313.10590	6.0
359.14801	31.3
480.26398	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	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05611	0.6
54.91144	0.6
55.05498	1.0
56.05042	3.5
58.06583	2.7
60.26437	0.6
61.25340	0.6
70.06583	1.6
71.04975	1.6
72.08149	5.2
74.06074	21.6
77.34293	0.5
83.04925	0.7
84.04498	7.2
85.02889	3.4
86.06069	0.6
87.05570	4.0
91.05469	3.1
93.07011	1.2
95.04948	0.8
96.04482	2.5
96.87556	0.6
97.02888	0.8
101.07126	0.9
103.05454	3.9
107.04944	0.9
111.04430	1.5
113.07131	5.2
115.05024	3.0
118.08633	0.7
120.08095	100.0
121.08436	3.2
128.04701	0.8
130.94522	0.6
132.08064	1.6
136.07562	0.7
137.02313	0.7
137.05969	0.9
139.03873	2.5
141.06541	3.8
144.08076	0.9
146.05969	1.0
146.09621	3.8
152.08249	0.8
154.06129	0.7
158.09641	5.2
159.07628	1.0
160.07509	1.1
160.11224	1.5
163.03912	2.1
167.07057	1.3
170.09254	6.2
171.07663	0.8
175.12354	1.2
186.09148	2.4
188.10327	1.4
189.10298	1.3
198.08725	10.2
198.44769	0.7
199.08728	1.5
203.11754	4.3
206.08163	0.9
213.11235	1.2
216.09776	9.8
217.09825	1.0
219.14961	1.2
221.12846	5.1
231.11278	2.7
249.12250	5.7
260.13919	1.9
265.15454	13.9
287.14816	1.3
299.05594	0.9
300.13272	1.0
300.99991	0.7
301.12827	1.2
317.16037	17.7
320.19458	1.0
335.17014	4.0
345.15524	10.5
348.19073	1.9
363.16583	2.7
416.23041	1.0
418.20691	1.4
462.23392	2.3
480.14597	12.1
480.28192	1.0
481.14539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77530	0.5
61.48394	0.5
65.03933	0.5
71.44696	0.7
75.04448	1.2
78.04734	0.8
79.05473	1.6
80.06299	0.5
87.74670	0.5
90.04660	0.7
91.05449	3.9
94.59229	0.5
95.04936	1.3
96.89117	0.5
103.05439	0.8
105.07024	1.0
107.04926	6.9
108.05740	3.0
109.06493	1.1
114.63325	0.6
117.07018	0.8
118.04138	0.7
121.06467	1.5
129.07072	0.7
131.04936	0.8
133.06467	1.4
135.04436	2.6
135.08032	1.2
136.05183	6.0
137.05943	2.6
138.06700	1.5
139.07550	0.7
143.08626	0.8
145.06465	2.2
146.07236	1.8
147.08029	2.0
148.05147	6.4
149.05997	0.6
150.06746	1.2
151.07510	100.0
152.07892	1.9
158.07286	0.6
159.08037	1.5
160.08800	1.0
161.05952	3.5
161.09583	1.0
163.07515	4.2
164.08286	1.4
165.05470	1.2
165.09073	5.2
166.06224	9.8
167.07027	2.9
171.07999	0.8
172.08774	0.8
173.05986	1.4
174.06680	1.1
175.07487	1.3
176.08267	2.8
177.09081	9.6
179.07047	1.0
179.10632	1.9
180.07736	1.2
181.08557	58.6
182.08920	1.4
186.10349	1.4
187.07516	1.3
188.08244	2.6
189.09045	4.0
190.09789	1.2
191.06914	0.6
191.10619	4.6
193.08528	3.4
195.10112	2.0
201.09158	1.0
202.09886	2.9
203.10561	4.8
204.11261	0.7
205.08624	0.6
206.09308	0.6
207.10138	2.3
216.11369	1.3
217.12218	4.9
221.11652	1.6
232.10789	0.6
233.11681	1.9
235.79796	0.6
247.13225	2.3
321.15149	0.7
329.17145	0.7
353.17361	1.8
354.18250	3.7
370.17676	11.8
385.19998	25.3
386.20303	1.6
403.21063	8.7
462.22809	0.7
480.23450	2.4
480.29388	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	480.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74321	1.3
55.01852	1.5
55.05518	1.3
56.37301	1.5
57.03426	3.1
61.02916	2.3
67.05491	6.0
67.57147	1.3
69.03423	6.8
69.07053	3.1
70.14770	4.3
73.02914	9.1
79.05479	7.6
81.03386	1.5
81.07047	100.0
85.02892	16.2
93.07027	1.5
95.04889	1.9
95.08598	14.7
97.02872	11.0
109.02887	1.9
109.10167	2.1
115.03913	6.8
127.03905	8.4
133.04941	8.8
135.11607	1.7
137.05978	8.4
137.13235	23.2
145.04933	12.4
163.05997	4.2
168.17465	4.2
223.05978	2.5
240.40663	1.7
241.07076	3.4
257.04437	4.8
259.08145	6.0
289.05338	3.6
295.10043	1.7
324.94656	1.5
364.31848	1.4
377.14200	1.5
402.91525	1.8
413.71146	1.7
473.21667	1.7
480.26968	4.9
481.07425	2.8
481.20053	3.7
508.62805	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.01852	4.6
55.05496	3.3
57.03430	13.2
57.07082	3.0
59.04982	2.1
61.02933	9.7
61.21436	1.4
67.05498	16.8
69.03419	27.8
69.07051	6.5
71.01347	3.8
71.04972	2.3
71.08611	5.6
73.02909	52.8
73.06546	2.9
77.21094	1.2
79.05476	4.3
81.03400	6.2
81.07042	35.7
83.04980	1.9
83.08622	1.7
85.02894	72.9
87.04469	2.6
91.03925	1.8
91.05456	2.4
93.07008	4.0
95.08591	100.0
97.02879	50.4
98.23518	3.7
99.04452	2.4
99.08091	2.9
103.03944	2.6
105.07019	2.5
107.08559	2.0
109.02851	7.4
109.06500	1.6
109.10143	31.3
111.04484	1.5
115.03911	23.4
123.11716	2.3
127.03895	23.9
133.04944	25.4
145.04942	30.0
150.07600	2.7
151.14801	87.0
163.06003	11.1
165.09029	1.9
169.15860	30.2
223.06007	6.2
236.21521	1.7
241.06966	10.5
254.90582	1.4
259.08102	12.6
277.09131	3.3
295.10205	3.1
339.94992	1.6
480.18793	3.5
480.28125	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	480.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.6
55.01869	7.0
55.05507	14.7
57.03429	6.4
57.07072	5.0
57.17910	2.0
61.02927	7.0
65.03943	2.7
67.05492	23.2
68.18088	2.0
68.99778	2.7
69.03419	40.3
69.03793	2.2
69.07054	8.0
71.04985	6.8
71.49534	2.0
72.04367	2.1
73.02908	3.1
78.73728	1.9
79.05492	9.5
81.03415	22.2
81.07045	56.6
83.08623	13.9
83.09019	2.0
84.04473	2.4
85.02895	100.0
86.09717	2.1
87.00817	46.1
87.01313	3.3
91.05460	5.1
93.07022	11.3
95.04983	3.6
95.08596	68.3
97.02880	31.4
97.10159	20.9
99.04419	14.4
105.01854	94.8
105.07030	3.9
107.04950	6.0
107.08603	7.5
108.04493	3.1
109.02867	31.1
109.10144	80.1
111.04474	2.2
111.45450	2.2
115.03918	6.2
115.11214	3.1
121.10131	6.4
123.11691	83.3
127.03903	75.3
129.01822	3.3
133.10167	5.4
135.08046	2.3
135.11682	6.5
137.06023	3.1
137.13237	29.5
145.04961	30.0
145.10103	5.2
152.07051	21.6
159.02858	10.8
163.03816	2.6
163.11177	9.2
176.36575	2.1
179.17921	65.1
184.05841	4.3
189.03906	4.5
197.18977	47.9
197.20644	3.5
213.03955	5.6
227.12814	12.3
231.04976	32.5
249.06032	17.0
251.13660	4.0
265.17990	3.0
283.15427	22.2
297.14291	9.7
302.03867	2.8
303.04453	3.9
318.06924	8.7
322.17178	2.7
368.17856	16.7
436.11066	2.5
436.20255	3.9
480.19278	12.7
480.25269	3.6
481.16647	12.1
481.26251	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	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
56.05027	1.9
57.03412	0.8
58.06590	2.3
60.08155	17.6
67.05499	1.8
69.07016	0.9
69.10093	3.5
69.10503	2.2
70.06563	1.0
71.07360	6.8
72.25759	0.9
75.63486	0.9
76.10913	0.8
79.05471	1.7
81.07035	2.4
83.08611	1.3
86.09691	50.0
91.05439	1.6
93.07011	2.3
95.08588	2.0
97.06513	1.3
98.23423	2.2
98.98443	3.5
103.50630	0.8
103.77628	0.8
104.10723	100.0
104.52844	0.9
105.11076	1.9
107.08538	0.9
124.99982	24.1
128.06189	1.3
129.05482	0.9
129.06979	4.7
130.64307	0.9
135.11627	0.8
141.06987	1.4
146.05981	3.5
146.98087	1.2
157.06503	4.8
163.03864	2.6
174.09128	1.3
181.02550	1.0
184.07318	97.5
185.05968	2.6
185.07730	1.1
202.08551	0.9
207.06461	2.6
258.11084	1.8
297.23932	1.0
307.18857	1.1
321.46283	0.9
331.45322	0.9
436.27252	3.2
450.21021	0.9
451.49191	0.9
462.29733	9.6
480.31403	22.8
481.30984	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06293	0.8
55.05515	13.8
57.03436	6.0
57.07069	6.7
58.90086	0.9
63.78786	0.8
64.69592	0.8
67.05500	11.4
69.07063	20.2
71.08619	4.7
71.43447	0.8
73.36783	0.8
79.05489	4.6
81.07060	11.3
83.04951	0.9
83.08612	13.5
85.10184	2.5
86.09689	1.5
93.07047	6.3
95.08611	12.6
97.06530	3.0
97.10172	7.4
107.08609	4.3
109.10155	5.8
111.08095	1.0
111.11701	2.4
118.98365	1.0
119.86853	1.0
121.10136	5.1
123.11698	1.4
126.65896	0.8
130.54166	0.8
135.11688	3.8
136.76520	0.8
149.13277	2.3
223.99931	0.8
238.67867	0.9
265.25330	1.1
306.71609	0.9
308.29416	1.9
339.28918	100.0
340.29343	4.8
480.33124	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	480.3083
Annotation	1-18:1-lysoPE
Peak:m/z	Relative Intensity
55.05514	11.2
56.54199	1.2
57.03447	2.9
57.07060	4.6
62.06085	26.1
67.05500	8.0
69.07060	16.8
69.71999	5.7
79.05470	2.5
80.94831	1.6
81.07070	10.7
81.14149	1.2
83.08610	10.5
93.07029	5.8
95.08612	11.4
97.10155	5.9
97.69820	1.4
98.22610	1.3
98.98462	6.9
105.07027	1.5
107.08585	3.8
109.10151	3.3
111.11752	2.2
120.91440	1.2
121.10137	5.6
124.93783	4.0
135.11685	3.7
142.02615	1.5
143.14549	1.3
149.13318	2.3
155.01056	6.2
173.02097	1.3
198.05273	1.9
216.06213	2.5
221.45695	1.3
247.24298	1.7
255.81815	1.5
265.25192	3.8
298.96884	1.7
308.29419	23.0
326.72165	1.4
339.28906	100.0
340.29218	3.7
419.25488	1.9
462.29620	2.5
462.36304	1.7
480.21469	4.7
480.30875	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	481.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.3
58.65190	2.2
67.05463	3.6
69.25122	4.6
69.25510	9.6
70.84308	2.2
79.05462	2.8
81.07039	6.7
83.75452	2.2
85.02905	3.8
91.05469	4.4
93.07011	5.6
95.08575	4.7
98.97572	5.0
107.08557	4.1
109.10168	4.3
116.98669	2.4
119.08599	2.6
121.10071	3.2
123.11667	3.3
128.98596	3.3
131.08586	3.4
133.10139	2.5
137.05951	6.4
147.93927	2.0
161.09540	2.2
161.13245	2.7
176.08191	2.2
219.01712	3.1
237.02742	5.9
254.04498	2.8
311.08090	2.4
395.09500	2.9
413.10828	3.5
437.12106	17.7
438.98672	2.0
480.30106	2.3
481.10956	100.0
481.29031	26.4
482.11572	5.6
495.12979	2.1
497.02719	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	481.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09492	4.4
70.06597	0.9
71.67152	0.6
74.75194	0.6
85.02900	1.5
146.06009	0.7
165.09213	0.8
207.02724	0.8
277.13034	2.0
319.15152	1.8
340.56888	0.8
421.10254	0.9
481.13123	100.0
482.13141	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	481.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45882	0.5
57.03418	0.5
57.07045	0.7
67.05501	0.7
69.03417	2.1
70.35632	0.7
70.35954	0.7
71.04977	0.9
73.02903	1.9
79.05522	0.8
79.07852	0.6
81.03403	1.3
81.07024	1.5
85.02885	2.3
85.06534	1.8
91.05465	1.5
93.07025	1.4
94.04237	0.5
95.04931	1.5
95.08597	1.0
97.02881	2.2
107.04942	0.6
107.08552	0.9
109.02881	0.8
109.10171	1.2
111.04405	0.7
113.05997	1.3
119.08554	0.7
121.06536	0.7
122.03642	1.7
123.04475	1.1
123.11713	1.0
127.03898	1.2
133.02963	0.6
133.04916	0.8
137.05960	22.0
143.21356	0.6
145.04999	0.7
151.07445	0.7
151.11182	1.3
153.12762	1.8
163.03763	0.6
165.07018	0.5
171.13730	1.0
175.03687	2.3
179.03400	2.9
179.06941	0.6
185.04172	1.6
194.07204	0.8
202.44633	0.6
205.04947	4.6
206.05293	2.8
222.06761	0.6
265.08609	1.5
267.08365	1.5
267.80234	0.5
269.06592	0.6
277.08517	0.7
285.11194	2.4
297.11240	2.0
329.08426	8.9
337.08978	2.2
341.13943	1.0
379.09958	0.7
379.96484	0.7
387.10089	0.6
419.13062	5.5
421.11111	4.1
433.16202	0.8
463.12247	0.8
481.13062	100.0
482.13367	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	481.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31505	1.4
52.46867	1.3
67.05479	2.2
69.03410	2.3
70.77948	1.4
71.44313	1.3
79.05475	4.0
80.74522	1.2
81.07030	2.5
83.27214	1.6
85.06515	1.8
91.05453	3.5
93.07026	3.3
95.04983	2.1
95.08600	3.4
103.05450	1.7
105.07014	4.2
107.08576	5.6
109.10143	2.5
119.46265	1.6
121.06464	5.8
121.10108	3.6
122.03606	2.3
131.04918	5.3
134.03633	1.9
137.05966	36.4
147.04395	1.6
149.05972	4.2
151.03856	4.4
151.07561	1.5
153.05472	1.6
159.04463	2.7
162.03185	7.2
163.07503	1.6
165.05458	1.9
167.07027	1.8
177.05386	2.6
182.15433	2.2
190.02606	17.5
191.07095	1.9
205.04938	100.0
219.06441	15.3
229.04944	1.9
233.08032	2.3
245.08195	2.1
247.06108	3.1
257.04358	10.0
273.10999	7.6
283.09540	2.5
285.11102	2.7
297.11246	2.8
325.14316	14.7
343.15372	37.8
344.15808	2.2
481.07657	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	481.1675
Annotation	Albiflorin
Peak:m/z	Relative Intensity
55.23779	0.3
69.03388	0.2
70.06567	0.2
81.07026	0.3
95.04962	0.4
95.08591	0.3
114.98003	0.3
127.03688	0.9
137.05998	0.4
147.04283	0.3
152.82896	0.3
169.04724	0.3
173.04213	0.3
186.06508	0.6
215.05197	0.7
229.06834	0.8
245.06236	0.3
259.05655	0.4
297.11203	0.2
317.08395	2.8
349.12433	0.7
440.12912	0.6
481.16718	100.0
482.17065	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	481.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
57.28947	0.4
58.06624	0.5
67.05500	0.8
69.03423	0.5
69.07069	0.4
69.21836	2.5
75.48587	0.5
76.18739	0.5
79.05498	0.9
79.84792	0.4
81.07061	1.7
90.09641	0.5
93.07028	1.1
95.08624	1.4
97.02842	0.8
98.23500	0.9
103.09200	0.5
105.07019	0.8
107.08581	1.2
107.81213	0.6
109.10163	0.6
119.08549	0.9
133.10127	1.6
137.06001	3.0
147.11525	0.5
207.38039	0.5
233.15134	1.6
289.05237	0.6
367.13690	1.4
395.20377	4.8
437.21429	19.3
438.21429	0.9
480.80469	1.1
481.16812	100.0
482.16229	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	481.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43632	0.1
51.16326	0.1
55.24935	0.1
63.00394	0.1
67.05501	0.2
69.30070	0.7
70.06565	0.4
73.02892	0.1
79.05472	0.1
81.03442	0.1
81.07043	0.2
85.02927	0.2
91.05434	0.2
93.07031	0.2
98.22747	0.2
109.02635	0.2
109.10153	0.1
112.07610	0.2
127.03660	0.9
131.04912	0.1
137.05962	0.7
137.89735	0.1
151.11147	0.2
155.03120	0.2
168.11110	0.1
169.04681	0.2
171.02596	0.3
173.04207	0.4
186.06467	0.8
187.05901	0.1
187.07431	0.2
215.05235	0.8
229.06760	0.5
230.05420	0.2
245.06406	0.2
257.06332	0.2
259.05756	0.5
275.07407	0.2
277.06870	0.2
291.08353	0.4
301.11795	0.6
302.49631	0.1
317.08371	2.9
318.08517	0.1
319.12833	0.3
349.12573	1.0
440.12750	0.4
449.01981	0.1
481.16708	100.0
482.17026	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	481.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	1.2
70.04878	1.4
71.43063	1.2
81.07027	2.5
89.41739	1.3
91.05472	2.2
93.07033	2.4
95.04990	1.6
95.08566	2.3
102.73602	1.6
105.07037	3.2
109.02874	1.6
109.06542	1.4
119.08525	1.6
122.03642	1.6
123.04413	14.2
125.67692	1.3
133.10126	1.9
137.05960	23.9
147.04396	3.1
149.06052	1.7
177.89278	1.2
179.03386	1.8
205.04994	2.4
213.05447	2.4
233.15096	3.9
241.04962	7.1
264.87418	1.4
265.08426	1.4
269.04459	21.9
270.04977	2.1
282.05154	2.0
285.11176	2.0
297.03879	12.7
297.11264	1.9
329.06516	3.2
341.06488	16.3
377.19934	1.7
395.20389	11.6
437.21423	39.1
438.21573	2.5
481.16382	100.0
481.20718	84.0
482.15585	6.6
482.21881	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	481.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08624	46.3
76.51556	23.6
81.07036	31.9
83.04969	40.2
84.96016	30.8
85.10183	30.0
86.21470	23.8
89.06009	75.9
106.32568	27.8
115.18088	25.9
119.08624	27.1
127.13274	25.3
133.08615	28.2
146.80946	26.6
157.02945	25.9
210.17207	25.2
258.26572	25.9
309.29788	83.6
341.20654	86.6
481.26126	100.0
481.32971	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.3
69.03418	1.2
71.44891	1.3
73.28755	1.1
74.26467	1.1
74.45915	1.1
85.02920	1.9
93.49646	1.2
95.04971	1.9
105.03384	1.4
107.04934	1.7
107.58627	1.2
109.02863	2.8
119.04990	2.6
123.04411	100.0
123.33404	1.2
125.02388	1.2
127.03922	1.4
135.04417	4.9
137.02293	5.8
137.05933	5.9
138.06273	1.2
139.03859	8.8
141.01837	2.2
146.06044	1.2
147.04401	8.1
149.02310	6.4
149.05959	2.0
151.03864	8.1
151.07513	1.4
159.04417	1.6
162.80470	1.2
163.03828	5.7
165.01813	36.4
165.05476	3.5
166.02135	1.3
169.28992	1.2
171.06491	1.1
175.00200	1.3
175.03928	1.7
177.01860	9.7
177.05421	8.5
179.03342	7.3
181.08597	3.7
183.02873	20.9
187.03984	2.1
188.07027	1.8
189.05504	1.3
189.07306	1.4
191.03326	7.7
193.94189	1.1
203.03378	2.8
205.01338	7.5
205.03125	1.4
205.04901	7.8
207.01241	1.4
207.02866	7.2
215.03368	2.7
217.04890	1.4
219.02841	1.4
221.04321	6.8
223.02353	13.7
231.02754	1.8
233.04390	19.3
235.02339	2.8
237.03708	1.4
249.03851	10.1
261.03964	14.2
267.04874	8.5
277.03458	8.8
279.05011	4.6
295.04385	11.6
297.06012	18.3
304.54297	1.5
313.05478	85.5
314.05820	2.6
325.05560	5.8
359.07739	1.9
401.08530	1.6
411.07120	2.4
429.08145	6.5
447.09152	13.7
461.83673	1.5
465.10355	6.6
502.18463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
58.41423	1.1
65.03913	1.5
67.05485	1.3
67.22485	1.2
69.03429	2.5
69.62854	4.4
70.06574	2.5
71.44933	1.0
71.49719	1.2
79.05481	4.2
83.08636	1.5
85.02906	2.5
91.05472	19.7
93.07041	3.3
94.04178	2.5
95.04952	4.5
95.08599	2.1
97.02895	1.3
103.05467	15.0
103.06116	1.8
103.19618	1.1
105.07006	10.6
107.04941	29.2
107.05666	1.5
107.08599	2.0
109.06502	1.9
109.10145	1.7
111.56553	1.3
115.03940	1.7
115.05476	4.9
117.07051	2.5
119.04936	19.3
121.06514	4.8
122.03638	5.5
129.07010	4.8
130.04132	1.8
131.04907	11.2
133.02914	1.9
133.04980	2.1
133.06465	5.8
135.04376	2.2
135.08073	8.9
135.11699	3.8
136.05151	1.8
137.05962	70.2
138.06314	2.6
145.06468	1.8
146.07243	1.3
147.04393	14.6
149.00607	1.6
149.05951	5.8
150.06755	2.3
151.06346	2.4
151.07523	29.9
153.12750	2.4
157.06470	2.7
161.05960	71.0
161.09579	13.2
162.06764	8.3
163.07521	39.8
164.07875	1.6
165.06952	2.4
165.09070	1.6
167.08537	3.4
169.09676	2.7
171.13797	2.5
174.06786	2.8
175.07489	8.5
178.07758	1.7
179.07027	5.3
179.08466	1.2
181.07059	1.9
181.08563	12.3
189.09088	38.0
190.09471	1.4
193.03192	8.2
193.06496	1.9
193.10143	1.5
195.08060	4.8
207.10138	59.4
208.10593	2.2
219.10089	6.5
221.09587	2.3
222.06732	1.5
223.07645	2.1
224.08070	1.5
225.09140	1.6
227.10745	6.9
235.07481	1.3
237.09033	2.2
240.72627	1.1
249.09102	2.3
253.08585	1.8
253.12296	3.3
255.10143	6.7
265.08771	1.7
267.10281	1.4
272.10471	1.1
281.11801	1.8
285.11179	8.0
287.12732	25.7
297.11261	2.9
299.12704	3.4
311.12772	14.0
313.14331	22.2
325.14224	2.3
331.15332	25.1
332.15591	1.5
343.15460	4.5
481.26169	22.9
482.26492	100.0
483.18967	2.1
483.26740	5.5
499.22772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00032	1.2
55.01862	3.5
55.05519	2.7
56.19674	1.3
57.03431	4.8
57.07068	66.3
61.02924	3.4
67.05499	2.1
69.03419	15.1
69.07057	3.5
70.73882	2.6
71.04977	3.8
73.02905	20.1
75.38632	1.3
79.05502	3.5
81.03403	2.5
81.07040	7.3
83.04957	1.3
85.02894	27.8
85.06532	100.0
91.03940	1.6
91.05470	2.9
93.07028	13.3
95.04965	1.8
95.08581	6.5
97.02885	26.7
97.06525	4.1
99.04466	2.2
107.08580	11.1
109.02885	3.4
115.03925	12.4
121.27856	1.3
127.03905	10.6
133.04926	9.5
135.11656	10.5
137.05940	17.2
138.06322	5.3
145.04958	11.8
153.12723	82.8
158.99170	1.2
163.05971	3.4
163.26283	1.1
171.13780	22.9
177.05466	1.7
181.06735	1.4
190.02489	1.5
192.96594	1.5
199.09619	2.3
205.04982	7.8
217.10747	4.6
223.05974	2.3
224.73537	1.5
241.39276	1.3
243.13039	1.6
247.11751	4.9
257.13803	1.9
259.08060	3.7
295.10229	1.5
318.07043	1.6
478.33960	1.5
482.13467	23.1
483.18295	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.5
55.56525	7.0
57.03422	30.4
61.02928	9.4
67.05502	10.0
67.90009	7.7
69.03419	29.9
69.45561	6.3
70.26052	20.6
71.04983	15.3
73.02911	51.9
79.05460	11.6
81.07050	69.8
85.02894	86.9
85.06536	21.0
87.04470	9.7
91.05487	15.8
93.07037	100.0
95.08585	32.8
97.02898	48.5
103.39122	7.3
105.07030	15.2
107.08575	56.2
109.02878	13.1
111.90273	8.2
115.03919	34.5
127.03900	21.3
133.04942	75.6
135.11665	87.9
137.05946	9.3
137.13246	27.2
137.83179	8.1
145.04945	27.9
153.12773	10.9
163.06006	10.5
179.05453	21.6
202.61630	8.3
241.06979	11.0
295.10101	14.0
338.73929	7.7
391.92163	8.1
461.00751	8.1
482.17032	22.8
483.18069	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01858	5.3
57.03426	7.5
61.02908	8.7
61.20342	2.9
65.01853	2.5
69.03420	38.1
70.06542	2.5
71.04958	4.4
73.02915	4.3
81.03411	28.8
81.07050	5.2
83.08609	6.3
85.02895	100.0
85.03410	6.2
87.00813	47.4
93.07074	3.3
97.02875	29.9
98.22717	6.4
99.04443	12.9
105.01855	61.8
107.08617	2.9
109.02861	33.6
121.10128	4.7
127.03904	74.4
129.01901	2.4
134.02698	2.5
145.04965	22.6
149.02429	3.0
159.02888	12.1
163.14757	12.2
181.15886	11.8
189.03877	4.2
191.56892	2.4
193.04967	6.0
199.16936	15.6
213.03915	4.4
228.23265	4.6
231.04970	19.8
237.07562	3.4
249.05957	3.5
310.93054	2.5
380.17386	6.2
413.64990	2.4
482.11340	5.2
482.31049	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01855	1.0
55.05508	1.1
55.06984	0.2
57.03425	2.8
57.07061	0.4
59.04995	1.5
61.02918	2.0
62.29671	0.2
65.03919	0.2
66.00474	0.2
67.05486	0.6
69.03058	0.4
69.03419	6.1
69.07062	1.5
69.29101	0.6
69.29503	0.5
71.01343	0.5
71.04980	10.4
73.02906	6.9
73.06547	2.8
74.06037	0.2
79.05487	2.8
81.03397	1.3
81.07044	13.5
83.04979	0.3
83.08579	0.3
85.02892	13.4
85.06535	0.4
87.04438	0.6
91.03931	0.6
91.05469	1.0
93.07029	8.8
95.04939	0.4
95.08597	2.0
97.02877	10.5
97.06512	1.1
99.04426	0.5
103.03915	0.4
105.07000	0.4
107.08575	7.2
108.08922	0.2
109.02855	1.0
109.10137	1.5
111.08056	0.4
111.99812	0.2
115.03915	4.2
127.03891	5.0
133.04942	5.0
135.11670	16.5
136.12032	0.4
143.64214	0.2
145.03810	0.4
145.04945	5.7
151.03960	0.2
151.69363	0.2
153.12717	100.0
154.13057	2.2
154.38292	0.2
163.06007	2.9
171.13748	1.1
206.68445	0.2
208.40071	0.2
210.98024	0.2
217.06985	0.2
223.06023	1.6
241.07065	1.6
259.08066	2.6
277.09189	0.6
285.16974	0.2
295.10162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80311	1.6
55.01879	7.8
55.05505	4.0
57.03431	10.5
57.07085	1.6
59.04997	3.2
61.02912	7.4
67.05493	3.1
68.37327	1.5
69.03424	29.6
69.07063	10.5
69.23056	8.2
71.04978	17.4
73.02907	34.5
75.76893	1.7
79.05484	6.9
81.03414	5.9
81.07043	16.2
83.04998	2.3
83.08611	2.6
83.25131	1.8
85.02895	64.1
87.04460	3.3
91.03954	2.6
91.05482	4.0
93.07031	18.9
95.04951	2.7
95.08604	6.0
97.02873	38.8
99.04450	5.7
103.03905	2.0
105.07025	5.5
107.08569	18.4
109.02878	5.0
109.06514	4.5
109.10164	6.1
115.03902	19.9
117.07012	2.1
119.08559	9.5
121.10069	2.0
125.13251	4.3
127.03909	18.6
131.08551	2.9
133.04939	26.4
135.08078	2.2
135.11676	25.2
137.13200	2.0
145.04935	25.9
147.08011	2.3
147.11671	1.8
153.12727	100.0
154.13120	1.9
157.04956	1.8
159.08044	2.7
163.06004	13.9
165.12726	6.6
171.13785	2.1
173.09645	3.0
173.13174	2.5
177.12766	4.4
181.12262	1.7
182.84393	1.9
219.13828	2.1
223.06018	5.3
229.53743	1.7
231.13786	2.8
241.07083	5.4
259.08075	13.2
261.14825	3.8
277.09171	2.9
277.44476	2.2
279.15878	3.4
285.17017	5.1
295.10278	4.8
297.16971	4.9
297.49734	1.8
315.18002	17.1
333.19086	6.4
373.65778	1.9
458.08469	1.6
482.26221	1.7
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
54.06236	1.4
55.01853	4.1
55.05511	1.9
56.07993	1.4
56.42129	1.4
57.03429	8.8
59.05006	1.8
61.02923	6.6
63.08345	1.3
67.05506	2.6
69.03428	15.8
69.07064	2.6
69.43323	2.5
69.43732	4.4
71.01344	1.9
73.02911	31.9
75.53149	1.6
79.05486	19.1
81.03411	3.3
81.07053	1.8
85.02896	36.4
87.04455	1.8
91.05492	5.7
93.07034	41.1
95.04979	4.2
95.08588	5.7
96.66260	1.3
97.02888	25.6
99.04449	1.9
105.07019	2.4
107.08584	33.5
108.37964	1.4
108.56004	1.3
109.02850	3.1
109.10143	3.1
115.03944	9.1
117.07015	2.2
121.10136	1.3
127.03921	10.0
133.04932	14.5
133.10060	2.7
135.11679	100.0
136.07628	2.3
136.12041	2.1
145.04950	15.2
153.09062	2.1
153.12746	4.1
157.05092	1.5
163.05980	6.7
164.06943	1.4
223.06059	2.4
231.13751	1.5
241.07045	2.8
242.50339	1.5
259.08154	7.1
267.15942	3.6
277.09048	2.4
279.16022	1.9
295.10275	5.9
297.17050	1.9
358.69971	1.7
482.16217	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	482.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48085	2.9
55.05504	3.7
57.03428	19.0
57.43870	2.6
61.02918	5.1
62.37275	2.5
67.05469	3.3
69.03424	42.0
69.07053	12.9
69.71549	9.1
71.01324	2.6
71.04974	13.5
73.02906	10.5
79.05486	5.3
81.03403	3.5
81.07044	20.6
83.08617	3.1
85.02888	43.0
87.04467	35.8
91.05463	4.6
93.07037	19.9
95.08598	9.2
97.02879	45.0
97.06528	4.7
98.23512	4.9
105.07021	7.4
107.08567	22.7
109.02840	3.9
109.06519	5.2
109.10123	10.8
115.03910	43.1
119.08575	5.5
123.08034	2.9
127.03891	8.4
131.08577	3.7
133.04947	43.2
135.10718	3.9
135.11687	32.5
145.04936	8.6
153.12717	100.0
154.13124	3.6
161.09560	3.2
165.12730	4.9
168.62027	3.1
177.12694	3.6
207.13855	4.3
219.13817	3.9
241.07091	3.2
249.14803	3.3
259.08157	3.1
267.16028	3.5
285.16864	6.9
295.10098	2.9
315.18030	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90267	3.8
53.03939	6.1
54.36555	3.8
55.01864	4.6
55.05506	12.9
57.03431	4.2
57.07071	14.4
57.68779	4.3
61.02917	6.7
69.03421	26.0
69.07064	68.4
69.29301	14.0
69.29703	10.7
70.01640	4.7
71.04993	7.7
71.08623	10.4
73.06538	10.5
81.03418	19.6
85.02901	50.5
87.00825	30.6
89.06026	32.6
96.78703	3.8
97.02887	33.9
97.06514	4.2
99.04456	12.5
105.01848	35.7
109.02878	19.6
111.04369	5.2
111.11717	89.4
118.64579	4.5
127.03900	33.9
129.12746	100.0
129.13684	6.9
145.04976	21.3
159.02869	7.9
199.16954	16.3
217.18022	13.5
220.04289	4.7
231.04990	11.6
359.17084	5.2
373.25250	4.9
463.01419	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	8.7
57.07061	12.2
64.09722	5.5
64.88890	5.6
67.05517	6.7
69.03413	19.1
69.07061	51.1
69.27325	12.1
69.27734	22.4
73.06516	9.2
73.16565	5.9
81.03396	16.9
85.02890	53.0
87.00804	31.7
89.06023	29.6
89.59772	5.6
97.02877	34.0
98.23442	13.5
99.04453	7.8
105.01852	33.7
109.02868	18.0
111.11698	75.0
127.03875	39.7
129.12723	100.0
129.31667	6.0
145.04944	16.3
159.02859	9.0
199.16866	21.2
217.17856	9.8
221.79160	7.0
231.05034	13.5
305.01111	6.4
436.18283	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	482.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79238	0.4
54.96189	0.5
55.05502	0.9
56.05009	1.5
57.03419	0.6
57.07077	3.2
57.30360	0.5
58.06592	1.2
59.07415	0.5
59.11009	0.4
60.08155	16.6
67.05485	0.5
69.07063	0.6
70.06581	0.6
70.06934	1.1
71.07362	6.6
71.08612	2.3
71.14864	0.4
81.07042	1.0
83.08623	0.6
85.10174	0.7
86.09692	48.3
95.08577	1.3
98.98454	4.5
104.10727	99.0
105.11044	0.8
124.99982	27.2
163.01550	0.5
184.07314	100.0
185.07613	1.0
237.00197	0.4
258.10956	1.0
299.25775	2.4
354.51794	0.4
464.31290	7.5
482.32336	23.7
483.32593	1.0
501.57407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	1.0
57.03424	0.5
57.07065	1.7
58.06585	1.1
60.08154	13.7
69.07063	0.3
71.07366	3.9
71.08619	0.8
75.04468	1.0
83.08587	0.5
84.04066	0.3
85.10172	0.4
86.09692	26.3
98.98457	2.9
102.23382	0.3
104.10726	100.0
105.11058	1.4
110.71584	0.4
113.69640	0.4
124.99986	15.9
132.61513	0.3
172.59387	0.3
184.05647	0.8
184.07314	16.0
257.18167	0.4
272.15854	0.4
482.35992	22.4
483.36566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
57.07070	66.3
62.61943	1.2
69.07061	6.9
69.14790	2.2
69.15191	4.7
71.08624	56.9
72.79689	1.1
73.06534	1.9
76.22252	1.2
81.07095	1.1
83.08603	3.6
85.10176	36.1
87.04464	2.3
89.06023	100.0
96.18670	1.2
97.10152	3.7
98.22703	2.6
99.11729	7.5
107.07052	2.0
111.11709	4.0
113.13282	5.8
117.09142	1.8
125.13226	2.2
127.14795	4.2
131.07031	1.2
133.08589	63.0
135.51346	1.2
142.19850	1.2
167.62900	1.3
177.11208	23.0
177.12529	0.8
183.21106	1.3
195.12268	4.6
221.13788	3.7
227.23622	1.5
239.14911	3.1
244.19562	1.4
271.26276	4.4
283.17493	30.4
315.28815	2.0
392.07352	1.3
414.85773	1.2
415.91876	2.2
417.90381	1.3
461.70709	1.4
465.37900	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	483.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06572	1.6
71.41373	1.0
75.10955	1.0
86.09720	0.9
99.99243	0.9
110.07172	1.4
110.98345	1.2
172.01257	1.1
181.00232	0.9
208.01308	100.0
209.01643	1.7
217.01022	2.1
218.01837	3.3
219.70129	0.9
231.39262	1.1
313.03003	1.1
314.03946	41.1
315.04712	4.9
315.16373	1.1
335.74188	1.4
357.33249	1.0
378.28275	1.2
483.08755	2.5
483.18530	3.1
483.24780	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.0
60.36172	0.3
67.05460	1.0
69.03400	0.6
79.05459	0.5
81.07002	0.6
83.04947	0.4
83.08576	0.5
85.02880	0.4
91.05434	0.9
93.06998	0.8
95.08559	0.5
100.11211	0.7
105.06967	0.6
109.06451	0.4
109.10101	0.4
110.09644	0.4
111.04389	0.4
111.08094	0.7
119.04890	2.4
121.10117	0.4
123.04418	12.8
128.10646	0.4
137.05919	1.3
145.02736	0.5
147.04372	5.4
149.02333	0.5
151.03865	0.6
153.01790	1.0
165.05443	0.9
166.00114	0.3
175.03880	1.1
177.05426	1.7
179.03317	0.4
182.15399	0.9
201.05423	1.3
203.03349	7.3
205.04878	0.5
210.14838	1.8
211.15044	0.4
228.15871	0.4
229.04927	5.9
230.05550	0.4
238.14301	1.0
241.04984	0.6
245.04414	15.2
245.18370	0.5
246.04657	0.6
257.04404	100.0
258.05014	5.4
259.06018	0.8
269.04352	3.7
271.05936	1.0
285.04111	0.4
287.05481	9.3
299.07742	13.1
321.12988	0.7
331.08063	8.6
333.07120	0.4
337.21027	0.6
341.06287	0.8
391.08066	1.9
409.09109	50.8
409.36829	0.4
410.09381	2.4
434.53549	0.4
439.19266	1.3
467.97412	0.4
483.18295	12.7
483.31812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.9
67.05476	1.1
69.03413	0.4
69.07016	0.4
71.43720	0.3
79.05466	0.4
81.07021	0.6
83.08581	0.5
85.02870	0.6
91.05451	1.6
93.07002	0.9
95.04948	0.6
95.08608	0.8
95.09168	0.4
95.92549	0.4
97.02853	0.4
97.06505	0.4
99.06319	0.4
100.11207	1.2
107.08527	0.4
111.04384	0.7
117.03373	0.6
119.04927	2.9
119.08513	0.4
123.04416	12.7
128.10652	0.3
131.04903	0.5
137.05930	1.0
142.27185	0.3
145.02809	1.0
147.04378	6.6
151.03842	0.4
153.01773	1.2
153.12698	0.6
159.11671	0.5
162.06747	0.4
163.03801	0.5
165.05431	0.6
175.03865	1.2
177.05457	1.6
182.15382	0.9
195.02847	0.6
201.05411	0.9
203.03345	8.2
206.05260	0.4
207.02881	0.4
210.14832	1.3
211.15211	0.3
213.05356	0.9
229.04938	6.8
230.05667	0.7
238.14436	0.5
241.04956	0.9
245.04424	16.1
246.04636	0.6
257.04410	100.0
258.05020	6.7
259.05795	0.6
269.04395	4.2
271.06085	1.6
274.27063	0.4
287.05450	8.2
299.07767	10.2
321.13132	0.6
331.08069	6.9
341.06555	0.9
391.07999	1.8
409.09113	45.9
410.09622	2.5
410.14594	0.5
439.19489	0.6
473.71326	0.4
483.18301	10.1
483.24634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
57.03413	0.4
67.05501	0.6
69.03410	1.3
69.07026	0.4
69.87569	1.4
71.04975	3.7
78.69422	0.4
79.05493	0.4
81.03395	0.7
85.02901	3.8
85.06517	0.7
91.05464	0.7
95.04958	1.1
95.08605	0.6
97.02888	1.5
98.23380	0.6
98.24899	0.4
105.07018	0.5
107.08614	0.4
109.10128	1.1
114.45253	0.4
115.03955	0.5
118.17771	0.4
118.96873	0.4
119.08569	0.7
122.07092	0.5
123.04429	0.5
126.34461	0.4
127.07558	2.1
136.07545	0.8
137.05919	2.2
140.82841	0.4
145.08580	4.3
145.09668	0.5
145.10097	0.6
147.04398	0.7
149.05994	0.7
149.09691	0.6
151.03889	0.5
151.07521	0.4
161.05930	0.7
163.07533	0.8
163.11034	0.4
164.07108	1.4
175.03645	1.8
177.05481	0.8
179.07057	0.9
185.04213	1.2
187.10962	0.4
189.12737	0.8
197.05936	0.5
201.09122	0.6
208.06024	0.5
215.07022	0.8
229.08672	1.0
247.09615	0.7
257.08054	0.8
275.09003	0.5
293.10162	0.6
303.19580	0.6
318.44272	0.5
331.09976	8.3
337.08820	2.8
394.91632	0.4
432.70300	0.4
483.14645	100.0
484.14954	6.0
484.25433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1835
Annotation	Trp Asp Tyr
Peak:m/z	Relative Intensity
66.83214	0.3
69.03412	1.0
69.78195	0.5
69.78572	0.7
71.05003	0.5
73.02904	0.6
79.05508	0.5
81.07038	0.4
83.04989	0.4
85.02879	0.7
91.65611	0.3
92.40477	0.4
93.07054	0.9
97.02855	0.7
97.06514	0.5
107.04923	0.4
109.10162	0.5
115.03925	0.5
119.08581	0.4
127.03888	0.6
128.07141	0.5
133.04964	0.6
137.05959	0.9
139.03883	0.5
145.08607	0.5
147.04436	0.4
153.05476	0.5
153.12663	0.8
155.03127	1.0
162.28156	0.4
167.07034	0.5
205.04958	1.0
207.09898	0.5
243.46100	0.4
289.59854	0.3
299.07257	0.4
321.16794	0.6
329.33401	0.4
351.14084	1.2
382.23309	0.5
409.08102	0.4
465.17236	1.7
483.18326	100.0
484.18750	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	483.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01866	2.5
55.05500	5.0
57.03441	3.3
59.04963	2.9
63.58967	2.1
67.05498	5.8
69.03439	2.8
69.07055	27.1
71.04980	5.5
71.86526	1.8
72.84286	1.9
73.19682	2.3
79.05478	15.7
81.03402	3.0
81.07045	10.0
83.04975	3.4
83.08588	2.3
84.04490	3.6
85.02895	8.8
85.06527	2.3
89.03914	3.6
91.05444	4.6
93.07085	2.9
95.04999	5.2
95.08595	6.2
97.02850	2.3
97.06519	97.0
101.02520	2.2
105.07030	8.3
107.08582	5.5
109.10171	5.1
117.03395	4.5
119.08565	3.6
121.10146	3.8
129.06630	1.8
129.09058	2.6
130.05025	3.3
133.02864	2.4
135.04417	7.1
135.11720	3.5
145.02829	9.4
147.04408	3.2
147.11765	2.4
155.08549	4.4
159.04411	9.0
159.11728	2.7
161.02316	36.8
162.31491	2.5
163.03876	67.3
173.02321	63.1
173.03783	4.5
173.09665	2.2
185.05917	2.8
187.07600	2.9
191.03416	7.4
197.05954	3.1
213.09007	2.5
215.07008	94.6
221.58368	2.1
222.79819	2.3
233.08069	4.2
241.08502	19.1
259.09613	32.2
273.11227	19.4
275.59897	2.1
291.12231	100.0
292.12637	3.5
391.94781	2.2
397.21725	3.9
439.22870	15.7
483.21951	79.8
484.22485	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	483.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78577	0.4
69.07249	2.9
96.08119	0.4
98.23532	0.8
180.50363	0.4
298.93726	0.5
321.16733	1.9
483.21927	100.0
484.22409	5.5
491.47772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.22
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08206	0.5
57.07043	0.5
68.36696	0.4
69.38927	2.1
98.00511	0.5
100.11269	0.7
127.44128	0.5
137.05948	0.5
138.06320	0.6
156.13834	0.8
172.83492	0.5
181.57991	0.5
203.05339	1.0
211.73538	0.5
259.07870	1.2
267.83087	0.5
319.10132	0.5
321.16708	1.7
461.71555	0.5
482.83612	0.8
483.21988	100.0
484.22263	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	483.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	26.7
57.03430	7.4
57.07058	14.5
58.07429	4.9
66.36429	4.7
67.05472	5.5
69.07064	29.3
70.42076	8.6
71.08642	10.0
81.07052	7.0
83.08609	19.7
86.07288	4.3
93.07048	8.0
95.08579	8.2
97.10148	20.8
98.98441	14.3
108.47929	4.3
111.11862	4.5
121.10124	6.9
130.17752	4.8
135.11690	5.7
139.52559	4.6
155.01015	10.0
193.32367	4.3
224.43304	5.0
255.44757	4.7
256.26114	4.4
281.19470	5.0
296.61517	5.5
311.25732	100.0
344.45514	6.0
422.88718	4.8
447.24844	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	483.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	20.0
57.07052	5.5
65.03923	2.2
67.05150	2.7
67.05489	29.5
68.74591	1.3
69.03427	2.0
69.07053	11.6
69.15204	3.5
69.15616	5.8
71.08631	1.7
72.85343	1.4
75.73402	1.3
79.05486	22.6
81.07044	37.5
82.84761	1.5
83.04987	2.5
83.08594	12.6
91.05466	20.0
93.07030	36.9
95.04935	7.0
95.08594	40.8
97.06532	2.7
97.10150	5.4
103.51585	1.5
105.04512	1.6
105.07004	34.9
107.04958	1.7
107.08578	52.6
108.08919	2.1
109.06496	5.1
109.10133	40.2
111.08054	3.8
115.05405	2.2
117.07018	8.3
119.04980	2.1
119.08563	17.4
121.06493	21.3
121.10110	26.6
123.08052	6.5
123.11684	24.2
128.06187	2.5
129.06982	4.5
130.07773	3.0
131.08549	16.7
133.06476	10.1
133.10092	11.0
135.08041	14.5
135.11691	7.2
137.13225	2.8
139.07524	3.6
141.06976	2.7
142.07764	5.6
143.04889	2.0
143.08533	13.8
144.09308	1.9
145.06483	3.1
145.10107	26.3
147.08072	8.2
147.11659	10.8
149.09604	5.6
149.13231	6.2
155.08539	5.7
156.09315	2.9
157.06500	8.5
157.10095	15.8
159.08026	37.2
159.11671	13.8
161.09544	9.7
161.13176	3.8
163.14813	4.9
167.08531	2.2
169.10129	5.1
171.08032	4.7
171.11664	7.6
173.09595	74.4
173.13261	6.3
175.11156	17.4
175.14821	2.2
177.16353	14.2
181.10022	4.9
182.10898	1.6
183.11636	9.6
185.09579	10.4
185.13252	5.4
187.11162	15.0
187.14825	6.4
189.12750	4.4
195.11681	6.2
197.13263	4.3
199.11172	9.0
199.14793	6.4
200.11995	1.6
201.12721	9.6
201.16418	2.0
207.11659	3.5
209.13258	5.6
211.14796	5.5
213.12701	8.7
213.16330	3.3
215.14267	24.7
219.11633	1.9
221.13133	2.6
223.14839	4.1
225.16356	2.4
227.14276	9.0
229.15848	10.0
233.13312	2.0
233.15268	8.7
235.14680	1.9
237.16455	3.0
239.17870	2.4
241.15822	11.1
243.17371	2.5
245.15344	2.7
247.16864	11.2
249.16359	2.0
251.17923	2.6
253.19560	3.0
259.16940	23.9
261.18524	5.8
263.17950	4.2
265.19565	2.6
267.17453	1.6
269.22626	2.3
273.18402	3.2
279.21368	1.7
281.18915	9.6
283.16885	5.1
283.20523	10.1
285.18478	4.2
293.22668	2.4
297.18478	22.2
297.22134	11.1
299.20001	55.6
299.23438	2.8
301.21619	16.3
311.20087	9.6
311.23129	1.8
313.21503	9.9
315.23111	5.6
317.22556	2.3
321.22089	2.0
325.21561	7.9
327.23038	10.6
335.23700	3.8
339.23212	6.4
341.24670	6.1
353.24625	14.8
367.26205	6.3
381.27744	2.0
387.30273	2.6
405.31268	8.2
423.32504	36.6
424.32816	2.8
441.33237	2.7
483.34595	100.0
484.35004	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	484.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05491	0.6
62.21278	0.4
62.93274	0.5
67.05477	0.6
69.03423	1.9
71.04979	38.8
73.02886	0.7
78.81268	0.4
79.76202	0.3
81.03400	2.6
81.30197	0.4
84.92939	0.5
85.02893	2.8
85.03321	0.4
85.06527	5.3
86.24939	0.4
95.04935	1.3
97.02879	3.6
99.04430	0.6
100.11244	1.0
103.07539	0.7
107.04965	2.1
109.02871	3.4
113.05990	6.3
115.03897	1.4
123.04401	1.6
127.03911	3.4
127.07535	19.8
131.07024	8.4
139.03868	0.9
145.04962	2.1
145.08569	100.0
146.08919	1.7
147.04417	0.4
153.05460	1.3
153.12700	1.0
155.06978	0.9
173.08095	2.4
182.15359	0.5
185.08086	0.7
187.06055	0.5
191.09103	8.1
242.55705	0.4
257.10178	1.3
275.11063	0.7
299.11115	1.3
317.12219	1.5
333.07935	1.0
335.13266	2.9
431.15302	0.5
453.34137	0.8
472.41605	0.5
484.18845	0.5
485.19855	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	484.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62708	0.5
52.46397	0.3
56.57354	0.5
57.03432	0.7
62.39797	0.4
67.05492	0.9
69.03416	3.8
69.07032	0.5
70.06584	0.5
70.68948	0.5
71.04983	35.8
72.05299	0.9
73.02899	0.7
81.03410	2.0
85.02892	3.2
85.06538	5.3
87.04431	0.5
95.04957	1.2
97.02891	4.4
97.06471	0.4
99.04473	0.8
109.02856	1.6
113.05994	6.9
114.09105	0.5
115.03883	0.9
116.98570	0.5
123.04420	0.5
127.03894	2.9
127.07536	17.0
131.06094	0.6
131.07028	9.7
132.07236	0.4
133.04961	2.4
145.08577	100.0
146.08891	1.3
155.06995	0.7
173.08115	3.2
182.08046	0.4
187.02802	0.4
191.09135	10.7
194.91760	0.5
225.11589	0.4
241.08572	0.9
252.10098	0.5
257.10233	0.9
258.77795	0.4
275.11084	0.7
275.41544	0.5
299.11359	0.7
317.12210	1.8
335.13266	7.2
414.75217	0.4
485.19708	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	484.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01860	5.9
55.05501	2.7
57.03416	3.2
59.04992	2.7
67.05495	5.4
69.03066	1.5
69.03424	25.4
69.07055	1.4
69.27742	7.1
71.04985	39.9
72.14441	1.4
73.02911	5.8
79.05487	1.6
81.03416	10.7
81.07043	3.6
83.08621	2.2
85.02892	13.1
85.06534	9.8
85.17187	1.3
87.04445	4.8
87.21656	1.4
95.04945	3.3
95.08588	3.6
95.90033	1.2
97.02880	18.2
97.10188	1.3
99.04442	5.9
103.03913	2.7
104.64861	1.3
109.02872	10.9
109.10155	2.6
113.05987	8.6
114.09161	1.8
114.14777	1.2
115.03922	81.2
122.05985	1.4
123.04418	5.0
125.09618	1.5
127.03902	40.8
127.04839	2.0
127.07552	20.7
127.11147	2.0
129.06955	1.6
131.07039	5.5
131.08582	1.6
133.02910	1.4
133.04955	5.3
136.07545	5.5
137.05959	7.2
137.07906	2.4
137.13194	1.6
141.05453	2.1
143.10658	2.1
145.04971	10.1
145.08588	100.0
146.08911	1.4
155.06998	6.9
155.10663	3.1
155.14291	3.4
157.04938	2.9
163.05933	2.7
164.07074	10.5
165.07397	4.7
173.08075	3.3
173.11754	2.9
179.03362	18.1
182.08159	3.2
191.09171	4.7
225.09589	2.2
235.67447	1.4
241.07016	5.4
257.10153	2.9
259.08102	7.8
277.09207	3.3
287.11282	1.7
301.09109	2.8
317.12418	2.0
326.12323	2.7
335.13239	2.2
413.14383	3.7
431.15533	8.1
449.16431	20.7
466.24240	1.8
484.16025	2.6
484.25229	9.2
485.19446	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	484.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72964	0.9
53.03941	1.4
55.95312	0.8
67.05489	1.3
67.94226	0.9
69.03424	4.7
69.22964	3.2
69.23373	2.1
71.04982	35.8
81.03406	2.0
81.07050	1.1
85.02889	5.3
85.06532	3.9
85.99191	0.8
94.28275	0.9
95.04932	1.9
97.02876	8.7
98.23416	1.6
99.04421	1.6
103.07571	1.3
107.08576	1.7
109.02885	1.6
110.30117	0.9
113.05999	5.1
115.03891	3.7
125.09609	1.7
127.03903	2.6
127.07551	17.6
131.07036	11.0
135.04352	0.9
141.05453	1.1
143.10608	3.4
145.04933	3.5
145.08574	100.0
146.08841	1.6
155.06999	2.3
166.04916	1.4
173.08067	3.2
180.06512	1.1
191.09106	13.4
315.50989	1.0
320.97156	0.9
335.13327	2.7
407.97821	0.9
485.19601	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	484.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13008	1.6
51.86239	1.5
53.03935	1.8
55.01854	4.1
55.05492	5.5
56.14530	1.4
56.96555	3.0
57.03423	8.5
57.07067	5.8
59.04994	12.2
60.53513	1.6
60.87511	1.4
61.02637	1.9
61.02907	9.0
63.86896	1.6
65.80993	1.6
65.83425	1.5
67.05493	13.6
69.03411	22.7
69.07059	16.2
69.61353	1.5
70.06583	3.9
70.95526	1.5
71.04987	8.6
73.02903	18.9
74.06075	2.7
79.05463	3.7
81.03418	8.9
81.07043	20.2
83.04986	3.3
83.08599	12.4
85.02892	84.8
85.06525	10.9
87.04444	4.3
88.41930	1.5
91.03947	3.2
93.07037	2.5
95.04956	4.1
95.08600	5.3
97.02876	39.5
97.06473	1.5
97.21445	1.6
98.97560	22.5
99.04443	7.0
99.08050	2.0
101.05988	2.3
105.07021	1.7
107.08577	16.7
109.02850	6.7
109.10137	46.6
109.76557	1.6
110.10447	1.6
113.06004	13.4
115.03926	8.2
116.98598	6.8
124.07530	1.6
124.28217	1.8
124.31425	1.6
125.09612	80.4
127.03893	20.8
127.07526	2.3
127.11195	16.9
128.69655	1.7
129.09094	19.9
133.04984	5.7
134.99634	3.6
137.09625	4.4
143.10649	41.4
145.04926	24.1
155.07001	2.3
155.10635	55.4
158.99603	3.6
163.06099	8.2
173.11708	100.0
177.00684	2.7
192.84355	2.0
237.02747	2.2
251.12808	3.3
263.09500	4.9
269.13821	7.6
281.10480	4.2
287.14926	15.4
305.10562	3.4
305.15881	22.6
323.11563	6.8
365.12836	4.8
394.02570	1.7
425.14706	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	484.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.4
57.03419	6.6
59.04990	2.1
59.70015	1.3
67.05483	3.7
69.03415	23.8
69.07061	7.7
69.42417	1.3
70.04575	2.5
70.06554	1.8
71.04973	2.4
71.08620	44.0
73.02912	3.2
79.05486	2.2
80.54952	1.3
81.03399	2.3
81.07054	7.9
81.07458	1.5
83.08591	1.4
85.02884	14.0
85.03358	1.9
85.06538	1.6
86.09673	2.6
87.04446	13.8
91.05486	3.2
93.07014	3.7
95.08585	3.7
97.02866	20.4
97.06499	7.8
97.10190	2.3
98.06846	2.6
99.08077	100.0
105.06985	3.4
107.08555	5.1
109.10120	3.7
115.03907	20.8
116.23726	1.5
119.08565	2.9
121.10129	3.3
127.03892	2.7
129.12730	10.1
133.04948	19.6
135.11612	1.8
137.13229	2.3
145.04927	3.3
151.06126	1.3
151.66393	1.5
155.08539	3.0
155.14259	3.6
161.02266	1.8
161.09555	2.4
162.02232	1.7
163.03885	2.6
173.02299	2.0
173.15346	77.5
174.02695	1.6
175.02341	1.5
177.09061	1.6
215.07031	4.1
216.07199	3.5
256.45273	1.5
260.09827	1.6
291.12296	1.7
292.12534	5.4
299.07394	9.0
484.21072	4.9
485.19781	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	484.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61582	0.8
55.01855	2.9
55.05489	1.5
57.03426	7.7
57.33469	1.0
59.04980	1.8
61.02924	4.6
67.05487	1.5
69.03419	13.3
69.07046	6.8
71.01348	1.7
71.04977	1.2
71.08617	48.5
71.31858	0.9
73.02905	22.4
79.05470	1.1
81.03406	2.4
81.07031	2.6
83.04939	1.2
84.04484	1.0
85.02888	24.7
86.09680	1.4
87.04439	2.0
90.12228	0.8
91.03948	1.3
93.07011	1.6
95.08595	1.8
97.02878	19.9
99.04424	1.7
99.08074	100.0
100.08383	1.3
103.03928	1.2
107.08587	1.9
109.02855	1.9
109.10141	1.7
115.03911	9.6
119.08572	1.2
127.03890	8.2
129.12737	12.0
133.04939	10.0
145.04924	7.8
145.08562	1.0
151.81758	0.8
155.08521	26.7
155.14252	4.5
156.08826	0.9
161.09525	1.1
163.05994	3.6
173.15343	83.3
174.15709	1.9
184.07231	1.2
241.06978	2.3
259.07935	1.6
350.40311	0.9
355.73755	0.9
423.71338	0.9
484.21786	1.8
485.18561	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38438	0.9
55.05495	2.8
57.07066	26.9
69.07051	1.6
71.08621	25.4
73.06544	7.3
83.08605	2.5
85.10171	23.8
87.04458	3.5
89.06017	100.0
98.06703	1.2
99.11713	2.0
104.99270	2.9
105.03365	1.1
107.07059	3.6
108.87042	1.0
117.09108	3.9
119.08514	1.2
127.02990	0.9
133.02847	7.1
133.08588	42.9
141.16360	4.5
150.05652	1.1
165.12787	1.4
177.11195	15.6
185.18982	5.9
206.39310	1.1
221.13799	2.6
229.21567	6.5
239.14778	1.6
273.24033	5.0
283.17291	1.6
327.20087	7.7
334.27322	2.0
336.28903	6.6
467.35675	7.9
484.47238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
57.07064	12.4
58.06586	1.5
60.40171	0.5
64.80084	0.6
67.05500	1.0
69.07055	1.5
70.06578	11.0
71.08620	5.0
73.02907	0.9
81.07055	1.5
83.08606	1.2
85.10171	2.7
88.07619	13.1
95.08588	2.4
97.10167	0.7
102.09166	9.6
102.59545	0.6
106.08702	0.6
109.10147	0.9
122.24152	0.6
133.10152	0.7
136.93816	0.6
153.17833	0.6
180.20560	0.7
199.73383	0.6
228.23184	35.0
231.62186	0.6
240.27985	0.6
246.24254	2.4
255.23126	6.1
256.26248	4.7
257.35785	0.6
283.26260	38.2
284.26645	1.8
484.47165	100.0
485.36792	2.7
485.47476	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	484.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01413	0.8
54.06391	0.7
55.05506	2.3
57.07071	24.6
58.06584	2.7
67.05492	2.8
69.07058	4.3
69.37392	1.7
69.37784	1.2
70.06583	23.0
71.08623	13.9
72.08139	0.8
73.02911	3.0
73.75925	0.7
81.07055	4.2
83.08614	2.7
85.10165	6.7
86.06061	0.6
88.07621	34.4
95.08603	5.1
97.10150	2.1
102.09164	23.2
105.45634	0.6
106.08652	1.5
109.10184	1.6
111.08064	0.7
149.71587	0.7
157.68314	0.7
181.45183	0.8
184.20544	0.7
191.92159	0.6
200.20070	40.8
201.20554	1.1
218.21158	4.1
228.23186	36.4
229.23538	1.6
246.24342	3.3
255.23178	2.9
256.26404	2.4
283.26279	43.7
284.26669	1.3
311.29391	37.3
312.29868	1.7
484.47192	100.0
485.36435	4.4
485.47507	6.5
498.37332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
57.07069	20.8
58.06590	1.4
65.02697	0.5
67.05503	2.6
69.07051	3.8
69.07621	3.9
70.06583	16.9
71.08624	10.4
73.02901	1.6
74.06065	0.6
81.07049	3.6
83.08604	2.4
83.50688	0.6
85.10178	5.7
85.25409	0.5
88.07619	25.8
89.07993	0.5
95.08588	3.7
97.06573	0.5
97.10149	2.0
98.23427	1.1
102.09168	18.2
106.08653	1.1
109.10157	1.3
200.20062	12.6
202.21602	0.6
218.21121	1.4
219.92593	0.6
228.23190	54.2
229.23598	1.5
246.24239	5.3
255.23155	3.9
256.26288	3.3
274.27359	0.7
283.26285	58.0
284.26581	2.1
311.29443	12.9
340.50586	0.6
484.47189	100.0
485.20288	0.8
485.47589	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	485.1055
Annotation	rostratin C
Peak:m/z	Relative Intensity
56.96538	2.3
63.82987	0.9
64.54893	1.1
69.03403	1.6
69.48740	0.9
69.95419	2.9
85.02873	2.0
98.97547	4.6
103.03954	1.1
127.03825	1.5
143.00160	1.9
158.99490	2.4
159.00638	1.6
161.01227	1.8
164.06985	1.2
170.96071	1.0
177.00739	2.5
179.03395	2.2
185.01241	1.8
189.00789	1.3
203.02161	1.7
219.01712	3.0
317.08374	6.2
321.05621	2.0
333.04892	2.2
453.09937	15.8
485.10461	100.0
485.19205	3.9
486.10648	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	485.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82209	0.8
55.05488	0.9
56.96559	19.0
71.41441	0.9
79.79436	0.9
84.96029	1.6
86.09712	0.9
90.50220	0.8
98.97574	100.0
110.97556	2.9
116.98610	41.4
124.99117	1.2
126.30165	1.0
127.63775	0.8
128.98581	3.2
134.99654	11.0
143.00139	4.1
146.99677	1.4
158.99634	15.9
161.01225	3.7
161.36890	0.9
177.00685	17.0
177.02231	1.2
179.03743	3.2
183.03337	1.0
189.12743	2.3
197.04839	3.5
199.06354	1.0
211.06424	2.4
219.01759	7.3
219.06932	2.9
221.08519	1.0
225.04214	1.1
237.02797	5.0
237.07965	4.4
239.05927	1.0
239.09604	1.2
245.08493	4.3
263.09515	23.5
279.03824	3.4
279.08859	1.1
281.10574	18.2
287.09564	2.3
299.11816	1.8
305.10565	48.7
306.10828	1.7
323.11609	35.8
323.15338	2.3
333.07913	2.1
341.12701	6.3
346.13156	1.2
365.12653	16.8
398.55328	1.0
407.13666	1.0
425.14795	63.2
426.14969	2.6
443.15881	4.6
485.10333	12.8
485.16803	6.2
485.25491	1.6
486.10910	1.9
486.17313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.6
56.96543	2.1
66.14700	1.3
67.56146	1.3
69.07059	8.0
69.32365	7.9
73.06551	1.5
76.53522	1.4
78.04700	1.9
79.05505	4.1
81.07037	1.5
83.04958	5.5
90.04714	2.1
91.05452	8.2
93.07062	2.1
95.04964	3.0
103.05460	14.6
104.06263	8.8
104.23831	1.4
105.03381	1.9
105.07015	18.5
107.04942	4.1
114.04655	1.6
115.05450	9.8
117.03347	2.0
117.07026	1.7
118.04121	4.4
119.04990	7.0
121.06464	2.8
128.06201	2.2
130.04140	4.0
131.03947	3.3
131.04915	55.9
131.08553	4.1
132.05698	54.6
133.02823	6.0
133.06473	16.8
135.04410	2.1
137.05978	3.4
141.06982	2.2
143.08548	2.0
145.06505	3.0
146.03587	4.3
147.04396	6.0
148.05142	3.3
149.05960	8.7
151.07489	2.7
158.07269	3.6
159.04390	2.9
159.07991	3.8
160.05173	22.2
161.05963	54.5
162.03003	2.1
162.06721	5.0
163.03899	5.6
163.07533	5.0
165.05423	7.1
167.07025	5.2
169.06468	3.5
171.08009	1.6
173.09483	2.6
175.03835	1.8
175.07520	4.6
176.04561	2.8
177.05457	24.6
178.06294	3.2
179.03378	6.4
179.07011	6.5
180.07771	14.1
181.08414	2.6
182.09361	2.0
187.03888	2.4
187.07552	2.7
191.03410	2.2
191.07008	51.9
192.07785	100.0
193.08577	19.1
197.05948	2.3
201.09094	2.7
205.04930	3.5
207.02921	6.8
209.08095	5.7
210.08827	5.5
211.09619	2.6
215.07071	2.9
219.02943	1.7
219.10356	1.9
221.04338	1.8
229.07463	4.5
247.09544	3.2
275.09219	10.5
278.51419	1.5
285.09955	2.2
307.06201	3.5
326.86664	1.5
335.05353	2.2
336.06299	2.7
351.08704	1.8
360.52151	1.6
367.07956	8.8
379.08054	31.2
399.10617	5.6
411.10593	5.7
417.11710	3.9
435.14371	50.0
436.14639	3.1
467.16888	13.9
485.18127	28.1
485.32355	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	485.1991
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
51.08462	0.4
52.64145	0.5
67.05459	0.5
69.03429	0.5
69.14989	1.0
69.15398	1.5
81.07066	0.6
84.64087	0.4
85.02877	0.8
98.22713	1.0
105.07058	0.4
109.10136	0.5
121.10116	0.5
122.31090	0.4
155.03104	0.6
185.04219	0.9
191.10416	0.6
229.06870	0.8
317.08408	37.4
318.08801	0.9
335.09604	0.8
485.19901	100.0
485.26544	4.6
486.20300	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	485.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69022	1.3
71.04984	2.0
80.41978	0.7
83.04986	1.3
88.60095	0.6
117.05486	1.0
127.07533	0.8
137.06033	0.8
141.72830	0.5
145.08582	3.0
179.03391	2.6
275.07660	0.6
333.07870	17.2
333.11688	1.1
335.09467	6.9
353.15680	1.0
485.19876	100.0
486.20227	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	485.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.7
73.12373	1.3
75.66528	1.1
81.07092	1.3
85.02893	4.5
87.11510	1.3
94.06552	2.5
97.02881	1.4
97.92223	1.1
98.97618	1.6
108.08114	6.0
110.06060	1.2
118.06509	1.7
119.07298	2.2
120.08089	4.7
122.06011	1.5
124.07567	5.8
124.86568	1.1
126.46264	1.1
132.61743	1.4
136.07558	36.8
141.84711	1.2
142.08614	4.7
144.79834	1.3
145.02762	1.4
146.05975	1.9
146.08397	1.6
146.99594	1.6
148.07581	3.3
153.57657	1.2
154.08694	1.5
155.17763	1.5
158.57845	1.3
161.10364	1.4
163.03922	6.4
164.07042	17.7
173.10732	2.8
198.11488	2.6
201.10196	3.3
213.10226	5.1
213.32320	1.3
219.01721	2.4
224.10768	1.8
225.10083	1.4
226.10840	5.9
237.02815	4.1
240.12706	2.0
241.09653	3.3
241.13354	11.6
254.10553	1.8
259.14365	16.0
269.12830	32.7
270.13336	1.5
277.15524	1.4
287.13867	28.8
305.14917	100.0
306.15268	2.6
325.45303	1.4
430.22635	1.5
470.60858	1.3
485.11505	1.8
485.18277	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	485.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11262	0.6
67.05531	0.7
95.08527	0.7
98.22715	1.5
136.05203	0.7
145.62299	0.5
151.07521	3.4
181.08536	3.8
189.05278	0.7
191.70424	0.7
353.07468	0.6
365.22992	1.0
404.05475	0.5
425.19281	18.8
426.19492	0.9
470.19028	0.9
485.21411	100.0
486.21924	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	485.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.7
57.03425	2.1
61.02910	1.2
67.05497	3.0
67.55458	1.0
68.84702	0.9
69.03420	100.0
69.07060	5.5
70.03756	1.4
71.04993	5.7
71.44790	1.3
73.02937	2.6
79.05486	5.1
81.03397	1.4
81.07050	7.8
82.07378	1.5
83.04971	3.0
83.08636	1.6
84.04495	2.4
85.02892	13.7
85.06534	2.6
87.04458	1.4
91.05480	5.0
93.07036	5.9
95.04961	4.0
95.08576	5.2
96.05357	1.5
96.08155	1.1
96.08945	1.1
97.02881	14.2
97.06512	3.5
103.03924	1.1
105.07007	8.4
107.08579	18.7
108.08907	1.4
109.02854	1.4
109.06519	3.4
109.10160	5.0
111.04443	1.8
111.08065	1.9
113.06047	1.1
114.09181	2.5
115.03949	4.1
116.04227	2.1
117.07016	1.5
119.08582	8.0
121.10129	25.8
121.10983	2.3
123.08099	3.0
123.11690	1.8
127.03918	3.1
130.05006	2.3
131.08574	3.0
133.04942	2.3
133.10106	20.5
134.05963	1.2
135.08034	6.8
135.11667	21.8
136.12010	2.1
137.09575	9.6
145.08557	5.4
145.10129	2.8
146.08937	3.4
147.11713	4.8
149.09602	4.3
149.13228	1.9
153.12747	5.1
154.13049	5.4
155.13342	1.7
155.14442	1.6
161.07037	1.6
161.13258	1.7
163.11153	14.5
163.14793	13.2
173.13190	7.8
175.14844	1.6
189.06628	1.9
191.14276	35.4
209.15364	2.7
212.28119	1.2
215.06985	1.2
215.14313	2.2
233.15294	3.1
245.10266	1.4
259.09604	3.0
276.05743	1.3
288.11710	1.9
305.17505	1.8
306.12643	3.8
309.03720	6.1
320.78625	1.3
321.00668	1.2
323.18289	2.5
463.45291	1.3
485.19006	17.9
486.19879	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2869
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05502	6.6
57.03428	5.4
57.07065	27.6
62.46797	2.5
65.48428	2.2
67.05493	7.7
69.07047	7.4
69.34158	5.6
69.34562	9.2
71.08627	27.0
81.07034	10.2
82.01991	2.2
83.08597	7.1
83.09055	2.7
85.10158	7.9
89.06006	6.3
95.08592	8.3
97.23390	2.4
98.98475	14.7
105.07050	3.9
109.10146	6.2
121.06436	4.0
155.01051	7.9
237.86781	3.3
239.23479	2.5
247.05966	2.7
256.84222	2.6
287.74136	2.8
313.27313	100.0
314.27640	4.7
327.24203	2.5
331.14737	2.6
378.73981	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	485.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	1.7
59.66480	0.4
65.03935	1.1
67.05486	0.9
69.23654	0.9
69.24064	1.9
78.04691	0.5
79.05474	1.1
81.03366	0.5
81.07052	0.9
83.31789	0.5
89.06036	0.7
90.40459	0.4
91.05468	52.1
92.05823	0.9
92.75753	0.4
93.07004	1.0
95.04951	0.5
95.08595	0.7
102.09175	0.6
103.05445	0.8
104.06226	4.2
105.07014	9.8
111.08060	1.0
123.08004	0.5
131.08536	0.5
133.10110	100.0
134.10457	2.2
147.08035	3.0
147.08995	0.5
149.09563	0.8
154.94157	0.7
168.95692	0.7
186.52876	0.5
186.96791	1.1
204.97842	0.8
313.27170	2.8
317.17795	1.3
435.54398	0.4
453.17227	0.5
469.61414	0.5
471.17905	0.8
484.47672	0.9
485.47528	1.2
494.08661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2889
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.86832	0.2
55.05497	0.8
57.07071	1.1
60.96555	0.2
65.03917	1.1
67.05486	0.3
69.07072	0.3
70.73190	0.4
71.08601	0.2
73.65012	0.2
78.04697	0.3
79.05479	0.7
81.03411	0.5
81.07045	0.8
85.02915	0.2
85.06534	0.4
91.05470	43.8
92.05804	0.5
93.07006	0.3
95.04955	0.4
98.98472	0.6
103.05479	0.3
104.06243	2.9
105.07018	7.6
111.08038	0.6
123.08052	0.3
127.07529	0.4
131.08548	0.7
133.10110	100.0
134.10432	1.5
139.97784	0.2
147.08029	3.1
149.09586	1.0
155.00992	0.3
169.08403	0.3
171.10150	0.7
313.27277	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	485.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
57.07070	2.9
64.78082	0.4
65.03930	1.1
65.09007	0.4
67.05486	1.5
69.07051	1.1
69.45358	1.5
69.71554	0.4
70.84631	0.6
71.08617	2.0
78.04692	0.6
79.05465	1.1
81.03394	0.8
81.07037	1.5
83.08620	1.0
85.06541	0.4
85.10159	1.0
87.04448	0.9
89.06038	0.5
91.05466	48.3
92.05795	0.8
95.08602	1.8
98.22722	1.0
98.98440	1.9
99.00053	0.4
103.05444	0.5
104.06229	3.9
105.07016	9.6
109.10168	0.8
109.67503	0.5
123.08019	0.6
123.11707	0.6
133.10107	100.0
134.10455	1.7
147.08067	2.9
148.99718	0.6
149.09651	0.7
155.01033	1.3
226.24831	0.4
313.27325	11.9
449.26563	0.6
484.47247	0.7
485.26614	0.6
485.35696	2.1
485.46985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82568	2.1
60.48518	2.2
66.17731	2.1
66.20672	2.2
79.04751	2.2
87.04464	2.9
133.10098	5.5
156.62463	2.2
212.77850	2.1
214.95294	2.7
307.58710	2.5
363.58160	2.4
485.35956	100.0
486.36307	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	486.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09897	0.5
55.05495	0.7
67.05467	0.8
69.03413	0.8
69.94550	1.0
70.06590	0.5
72.08123	0.5
79.05493	1.1
81.07049	2.2
83.04948	0.5
83.08582	0.5
84.04492	1.2
85.02923	0.5
86.09685	1.4
91.05444	0.5
91.93656	0.5
93.07041	0.9
95.04935	0.9
95.08580	1.2
97.02866	0.8
97.06487	0.7
97.10112	0.6
99.04430	0.6
102.05529	0.5
105.07018	1.0
106.06541	1.0
107.04935	2.2
107.08582	1.2
109.10105	1.0
111.08097	0.6
116.04926	0.5
119.03672	0.6
119.08540	1.2
120.04429	1.4
121.05212	2.7
121.10126	0.9
123.11709	0.5
129.06621	0.6
130.04977	1.1
131.08484	0.5
131.79771	0.5
132.04358	0.5
133.05219	1.7
133.10036	0.5
134.06027	2.6
137.05907	0.7
145.10149	0.6
146.66301	0.5
148.03926	7.0
149.04701	22.2
162.05479	23.1
163.03854	1.5
163.06281	5.3
164.07037	100.0
165.07423	2.1
171.96782	0.4
177.07843	1.0
201.05238	0.6
208.07591	0.7
220.07591	1.5
221.06978	3.3
222.05452	0.8
222.07735	1.1
224.09460	0.7
233.07133	0.6
235.08617	2.4
236.07057	1.1
236.09410	0.6
237.06526	3.5
237.61237	0.5
248.06927	0.4
249.06538	11.3
250.07303	9.7
251.05879	0.6
251.08080	3.7
252.06497	7.8
252.08934	2.9
261.06573	1.8
263.08087	2.9
264.08792	1.3
265.06039	4.0
265.09674	5.9
266.06842	1.4
267.07590	0.8
276.05222	2.0
277.06061	2.1
278.06754	4.3
279.07590	35.2
280.08313	4.5
291.07593	7.0
292.05399	0.5
292.08185	2.7
293.05502	12.9
293.09140	9.3
294.06253	4.6
294.09930	5.7
295.07095	15.3
295.10437	0.9
307.07095	10.4
308.07840	24.0
309.08630	20.1
310.09305	1.9
323.10208	53.9
324.10971	16.8
325.11752	34.7
326.12097	1.9
339.27274	0.6
486.14545	1.6
486.20258	0.7
487.20477	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
51.74183	0.1
53.03918	0.3
55.05498	0.4
57.03466	0.2
57.07062	0.2
59.96468	0.2
67.05487	0.7
69.03421	0.4
69.07054	0.5
70.02923	0.2
70.57502	0.3
71.04985	2.0
77.03916	0.5
79.05482	8.1
79.82722	0.1
81.03396	0.3
81.07050	2.5
82.07375	0.2
83.06072	0.5
84.04494	1.4
85.02892	0.6
85.06522	0.6
91.05470	2.0
93.07020	0.6
95.04948	1.9
95.08588	0.8
97.02884	0.3
97.10174	0.2
99.04448	0.2
101.07148	0.4
102.05546	0.3
105.03336	0.2
105.04512	0.3
105.07006	0.5
106.06542	11.4
107.04940	19.8
107.08566	0.5
108.05267	0.2
109.02827	0.2
109.06512	2.1
109.10138	0.6
113.05975	0.5
118.06576	0.2
119.08527	0.2
121.10139	0.3
122.06007	0.2
123.11693	0.5
124.07600	0.9
127.03877	0.4
127.07529	0.8
129.06570	1.0
130.04987	1.1
130.06827	0.3
131.07014	0.4
133.05225	0.2
134.06000	10.0
135.04401	10.3
136.04742	0.2
145.08578	2.9
145.09784	0.3
147.07635	0.6
147.11682	0.3
148.03949	0.3
149.04710	1.4
152.07045	100.0
153.04361	0.2
153.05458	0.7
153.07393	1.9
153.99028	0.2
162.05440	1.4
163.03860	0.5
163.06207	0.3
164.07039	6.2
166.53938	0.2
176.06979	0.2
177.07817	0.2
194.08110	3.1
214.49922	0.2
224.09198	0.2
236.09248	0.2
237.06586	0.2
249.06543	0.9
250.07382	0.9
252.06575	0.4
252.08910	0.2
259.09711	0.3
265.06314	0.4
265.09613	0.3
276.05347	0.2
278.07196	0.2
278.10205	0.4
279.07632	2.1
280.08160	0.2
291.07739	0.3
292.08374	0.3
293.05545	0.8
293.09174	0.5
294.06390	0.2
294.09909	0.4
295.06955	1.0
296.11218	0.4
304.23575	0.2
307.07162	0.6
308.07846	1.2
309.08527	1.1
310.09283	0.2
323.10223	3.0
324.10886	1.1
325.11761	2.2
438.30035	0.2
450.17584	0.3
468.18674	2.2
486.19629	10.8
487.20425	0.7
487.31863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33580	0.3
69.00378	0.3
70.11426	0.6
70.11771	0.6
71.04983	0.4
77.27202	0.3
85.02914	0.7
100.74250	0.4
124.93968	0.4
156.40508	0.4
163.03902	3.4
169.04773	0.5
178.02319	2.9
179.03143	15.7
236.32834	0.4
243.08397	0.4
325.09146	0.4
331.09946	7.0
332.10202	0.5
341.08420	2.3
404.36865	0.4
441.13507	0.6
459.14645	0.8
487.14172	100.0
488.14441	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	487.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98257	0.6
57.03433	0.9
59.87106	0.6
61.02914	1.2
69.03418	6.9
70.17699	1.6
71.04981	1.1
72.09876	0.7
81.03405	1.3
85.02901	9.6
89.03903	4.7
97.02869	2.9
99.04471	0.9
107.04925	1.4
109.02856	0.9
116.45750	0.6
117.03367	6.0
117.21773	0.6
125.02326	0.6
127.03904	3.0
135.04405	13.9
145.02834	10.4
163.03883	100.0
164.04225	1.6
169.12134	0.7
181.04964	2.9
187.80351	0.7
244.07625	0.7
245.12900	0.7
307.07999	2.1
325.09198	9.0
344.00427	0.6
397.19507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
57.03421	1.2
57.39369	0.4
61.02898	1.5
63.02334	0.4
69.03418	6.8
71.04992	0.6
71.24442	0.7
73.02902	0.6
79.05483	0.5
80.29629	0.4
81.03388	1.6
85.02890	7.9
89.03896	4.4
91.03910	0.6
91.05444	0.5
97.02869	3.1
99.04443	0.5
107.04934	1.7
109.02845	0.8
117.03369	5.5
127.03898	4.1
127.08434	0.4
130.96686	0.4
135.04388	12.5
142.79771	0.6
145.02823	9.2
145.04915	1.1
163.03876	100.0
164.04221	2.3
181.04944	2.1
307.08017	2.2
325.09125	7.8
379.50400	0.5
487.13614	1.3
490.90649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33580	0.3
69.00378	0.3
70.11426	0.6
70.11771	0.6
71.04983	0.4
77.27202	0.3
85.02914	0.7
100.74250	0.4
124.93968	0.4
156.40508	0.4
163.03902	3.4
169.04773	0.5
178.02319	2.9
179.03143	15.7
236.32834	0.4
243.08397	0.4
325.09146	0.4
331.09946	7.0
332.10202	0.5
341.08420	2.3
404.36865	0.4
441.13507	0.6
459.14645	0.8
487.14172	100.0
488.14441	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	487.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.76878	0.3
57.03432	1.6
61.02922	0.4
61.44397	0.4
69.03403	0.6
69.09756	0.3
69.26161	1.2
70.06556	0.6
71.01315	0.3
71.04984	7.1
72.08144	0.9
73.02877	0.3
81.03406	0.5
83.04971	1.4
84.08125	1.3
85.02896	9.7
86.09686	1.4
89.03907	0.5
95.04959	0.3
97.02884	0.9
98.23416	0.7
109.02833	0.4
111.04426	0.8
123.04420	6.7
127.03853	0.5
129.05472	3.2
129.10231	0.5
133.01884	0.3
133.02823	6.5
135.04407	1.6
151.03864	2.9
155.93144	0.3
161.09328	0.3
163.03879	3.5
176.21733	0.3
179.03368	100.0
180.03719	2.2
185.36044	0.3
307.85849	0.4
341.08633	9.9
487.17368	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	487.1441
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
50.38560	0.2
55.13147	0.2
57.03424	0.5
66.92421	0.2
67.01861	0.3
69.03418	1.5
74.48643	0.2
75.92232	0.2
85.02905	1.5
87.04455	0.8
89.03973	0.2
91.05463	0.2
95.04960	0.2
97.02867	1.0
98.55885	0.2
98.97571	0.6
109.02898	0.2
115.03912	0.8
123.04383	0.2
125.05989	0.3
127.03905	0.3
130.06493	0.2
133.02841	0.7
133.04938	0.7
135.04439	0.2
137.05901	0.4
145.49754	0.2
147.04378	0.5
151.03835	0.4
153.01781	0.3
163.03853	0.6
169.04910	0.4
175.03955	0.3
176.07091	0.2
177.05452	0.2
179.03410	0.9
193.04933	100.0
194.05269	2.5
205.04964	0.3
206.38075	0.2
206.67862	0.2
218.08107	0.2
235.05974	0.2
248.45807	0.2
325.09814	0.2
355.10165	7.3
356.10593	0.2
427.16379	0.3
487.17456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86785	0.3
55.05513	0.5
57.03423	1.4
59.16141	0.3
61.71787	0.3
69.03425	0.7
69.27611	0.8
69.28020	0.8
70.06590	0.6
71.04986	7.6
73.02876	0.4
75.04473	0.4
83.04978	1.9
84.08129	1.8
85.02897	10.2
86.09682	1.3
87.04466	0.4
89.03883	0.6
94.60514	0.3
95.04945	0.5
97.02848	0.7
98.17320	0.4
105.03363	0.6
109.98969	0.3
111.04433	0.7
117.03365	0.4
117.05489	0.7
123.04416	8.5
127.03899	0.5
129.05458	2.5
129.10211	1.0
133.02844	7.2
135.04411	1.6
146.05992	0.8
147.06519	0.6
151.03880	3.5
161.00803	0.3
163.03807	1.5
164.07039	0.4
178.45717	0.3
179.03372	100.0
180.03764	2.3
226.11720	0.6
243.14403	0.4
301.46338	0.3
338.21478	0.3
341.08640	9.5
342.08813	0.5
356.23013	0.6
487.17703	2.9
487.32391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01860	1.1
55.05503	0.8
57.03431	1.1
61.02915	1.0
69.03419	6.5
69.15189	3.8
70.06596	0.7
71.04986	2.0
72.34675	0.7
76.11116	0.9
79.05495	1.2
81.03390	2.8
81.07037	0.8
85.02897	12.5
86.09694	1.2
89.03905	4.2
94.69006	0.7
97.02879	3.7
99.04415	0.7
107.04929	1.7
107.08576	1.1
109.02856	1.4
111.04424	1.8
117.03380	5.0
127.03907	4.2
129.05396	1.5
135.04378	11.8
135.08035	1.6
137.05936	1.1
140.83960	0.7
145.02832	9.6
145.04875	0.7
149.13260	0.6
163.03885	100.0
164.04210	2.0
167.10625	0.8
181.04955	3.3
195.10083	1.0
204.00330	0.7
251.93753	0.7
307.08035	1.7
325.09167	8.3
487.21774	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	487.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01854	2.3
57.03428	3.4
60.58956	1.1
69.03422	14.8
69.45435	6.7
70.08945	1.4
71.04972	4.9
81.03406	17.8
82.96254	1.3
85.02883	3.4
85.06525	1.4
86.09670	2.1
97.02905	1.6
98.22745	2.9
99.04418	6.1
117.05503	2.7
118.06535	2.9
127.35804	1.3
133.02808	3.4
145.07581	3.0
147.09128	5.4
147.13071	1.4
163.03862	9.6
173.07005	8.0
173.08279	1.5
175.08655	6.3
175.56268	1.2
191.08115	100.0
192.08438	2.3
193.04893	2.8
200.08003	1.4
272.13461	2.0
307.12790	30.2
325.13879	84.5
326.14215	4.3
487.20624	1.7
489.49289	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.194
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	1.6
69.03437	1.4
69.79008	4.7
74.95763	1.3
76.38612	1.4
79.05474	2.5
81.07043	3.9
84.04453	2.0
85.02880	2.4
85.06527	1.5
86.09707	1.6
88.48895	1.4
89.70657	1.4
89.73745	1.4
91.05433	1.8
93.07047	2.7
95.08613	2.6
98.22765	2.6
99.04501	1.5
105.07065	2.6
107.08566	2.0
108.64677	1.5
109.06501	1.4
109.10141	2.6
110.97532	1.5
119.08539	2.4
121.10120	2.0
127.03889	1.8
135.04376	1.8
137.05843	2.2
159.11656	3.4
163.03931	11.8
170.99437	1.4
181.89265	1.4
203.17911	1.5
231.01711	1.4
246.25179	1.4
249.02782	3.3
249.63724	1.5
291.04010	2.2
349.05045	7.2
487.19437	100.0
487.32434	13.3
488.19748	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	487.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47034	0.3
70.79009	0.6
79.05476	0.3
85.02905	0.4
86.09688	1.4
87.36004	0.3
93.03303	0.3
95.08576	0.6
98.91384	0.3
109.06565	0.3
109.10146	0.4
135.04314	0.4
135.08035	0.4
149.09605	0.5
163.03874	0.9
215.58147	0.4
243.13283	0.4
335.09256	0.6
363.11945	0.7
367.11508	0.9
379.11359	0.6
381.12915	0.5
382.13626	1.6
383.14804	0.4
394.13840	1.4
397.12579	2.2
411.13971	0.6
412.14883	7.5
413.15466	0.8
426.02396	0.4
457.18185	1.6
469.23950	1.1
487.19324	100.0
488.19800	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	487.1941
Annotation	Rutaevin
Peak:m/z	Relative Intensity
53.12609	1.5
55.05501	3.4
56.04367	1.4
67.05496	3.7
69.03439	1.7
69.07048	2.9
71.04980	2.1
71.44091	1.9
72.69758	1.5
73.79414	1.7
79.05472	3.4
81.07045	8.6
82.67543	1.5
83.04962	2.4
84.04488	3.6
85.02881	2.9
91.05460	3.4
91.69772	1.5
93.07024	5.0
94.85656	1.7
95.08585	5.1
105.07030	3.9
107.08556	4.7
109.10151	3.1
119.08585	4.3
120.56330	1.5
121.10096	4.5
123.80078	1.5
129.06570	1.7
130.04996	3.8
133.10109	3.1
135.08076	2.0
135.11732	2.2
137.06015	1.6
137.09552	2.6
145.02824	2.1
145.10123	2.4
147.07655	5.9
147.11731	1.7
159.11690	3.2
161.09409	1.9
163.03870	12.9
163.55679	1.8
165.09132	1.9
175.14798	1.8
390.81595	1.6
469.32632	3.4
487.19299	100.0
488.19458	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	487.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	0.2
59.45170	0.2
63.04842	0.3
86.09709	0.3
97.16764	0.2
107.45193	0.2
155.03154	0.3
163.03912	0.9
193.79352	0.2
196.17076	0.2
201.03641	1.2
203.05374	0.7
210.51906	0.2
249.59055	0.3
265.03854	0.3
275.07352	1.2
317.08517	0.4
333.07886	17.1
334.08252	0.6
335.09457	8.6
355.17136	1.2
487.21457	100.0
488.21838	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	487.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50376	0.4
57.91138	0.3
70.91586	0.4
90.75329	0.3
128.48557	0.4
131.78090	0.4
178.49545	0.4
200.14851	0.4
203.05263	1.1
275.07431	1.8
276.63446	0.4
335.09433	14.1
336.09637	0.5
355.17242	7.3
487.21442	100.0
488.21823	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	487.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.5
60.24335	0.4
61.11139	0.5
62.50882	0.4
66.91871	0.5
69.03424	1.3
70.51761	0.9
79.05480	0.5
81.07034	0.9
82.01402	0.4
84.08142	0.5
84.89654	0.5
85.02893	0.9
85.06533	0.4
86.09702	1.3
95.08584	0.7
97.06519	0.5
98.97580	1.1
107.08557	0.6
116.98620	0.6
120.08212	0.5
121.10226	0.4
124.07571	0.4
132.40379	0.5
135.07980	0.5
141.61327	0.4
153.85258	0.5
161.05887	0.5
163.03853	2.9
203.05223	0.6
275.07397	1.2
307.11844	0.5
325.13141	1.0
333.07828	8.0
333.11563	0.5
335.09445	11.5
355.17163	2.7
487.21399	100.0
488.21777	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	487.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00544	0.5
56.96549	2.1
69.41886	0.4
69.48572	1.6
70.10751	0.5
71.00485	0.4
71.04965	0.4
85.02911	0.4
86.09708	0.8
93.07013	0.5
98.22708	0.4
98.97572	13.8
116.98604	5.0
121.02843	0.6
134.99684	1.0
158.99593	2.2
163.03922	1.8
177.00717	1.5
191.98691	0.4
201.03691	0.9
203.05292	0.8
206.04396	0.9
247.10187	0.8
265.11075	6.0
275.07489	0.6
283.12161	3.6
307.12097	7.0
325.13199	5.0
325.16727	0.5
332.81219	0.4
333.07861	18.0
335.09457	12.6
367.14297	1.5
370.49765	0.4
427.16382	4.1
487.21460	100.0
488.21802	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	487.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63542	0.5
67.05497	0.7
68.02299	0.5
69.07044	0.8
69.97481	1.5
79.05494	0.9
81.07053	0.9
84.04492	0.8
84.08125	0.6
86.09697	7.5
91.05466	0.8
98.22788	0.6
119.08558	0.6
123.04430	0.6
126.58340	0.6
133.10179	0.5
135.08076	0.8
137.05968	1.7
151.07565	0.6
163.03920	2.4
163.07568	1.2
175.07642	1.3
177.09074	0.6
180.34904	0.6
215.13873	0.8
231.08652	0.8
243.13347	1.5
245.18600	0.6
295.33759	0.6
333.07944	3.4
335.09467	8.5
355.17166	1.7
414.17593	0.6
487.21381	100.0
488.21765	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	487.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45762	0.4
57.92550	0.4
67.05518	0.5
70.04144	1.2
71.09964	0.4
74.06651	0.4
81.07056	0.6
82.19612	0.4
95.08601	0.6
98.22819	0.7
105.06997	1.2
107.08595	0.9
108.72207	0.4
109.10161	0.5
114.03015	0.4
119.08575	0.6
145.10045	0.7
154.12643	0.4
167.03162	0.7
185.04114	0.5
206.99579	0.5
227.05251	0.6
239.16196	1.0
247.17067	0.6
271.04272	0.6
313.16110	2.3
355.17197	4.1
399.16190	3.4
401.21384	3.3
427.31827	0.6
443.22443	16.9
444.22766	0.6
487.21405	100.0
488.21887	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	487.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	22.1
56.19073	4.2
57.03428	5.7
57.07064	6.7
67.05499	92.7
69.03406	6.8
69.07053	13.4
69.98814	10.0
69.99201	9.3
71.04980	8.1
79.05483	87.9
81.03420	5.7
81.07050	79.6
83.04983	6.1
83.08614	10.0
83.40025	4.9
85.02903	5.6
85.06500	6.1
91.05470	42.7
93.07039	100.0
95.04966	19.6
95.08591	56.0
97.06554	6.1
99.08071	6.8
105.07043	31.6
107.08585	49.3
108.91544	4.4
109.06528	5.8
109.10150	31.6
113.09628	6.8
115.54950	4.5
117.07005	19.6
119.08567	28.9
121.10132	56.1
123.08043	6.4
123.11670	19.4
130.07756	4.6
131.08568	30.4
133.10104	32.4
135.11676	65.1
145.10114	27.9
147.11667	19.9
149.09575	6.9
149.13208	35.7
159.11659	21.8
161.13168	6.7
163.03809	4.6
163.11156	5.9
171.11736	6.4
173.13356	23.2
187.14801	9.2
205.15941	5.0
205.19502	10.9
215.17932	65.2
218.95587	5.0
233.18964	61.6
266.65543	5.3
307.22549	9.2
343.04446	4.2
487.26709	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	487.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83491	4.6
55.05492	24.9
57.03421	10.9
61.02903	7.1
63.26984	5.3
65.03926	6.0
67.05160	8.7
67.05495	99.7
69.03391	10.2
69.07043	19.1
71.04986	7.9
71.19229	5.8
72.28616	5.7
79.05483	100.0
81.03399	7.3
81.07047	98.9
83.04961	6.2
83.08600	6.2
85.02921	12.3
85.06515	10.9
87.04897	6.3
91.05456	43.5
93.07032	92.4
95.04980	12.0
95.08586	80.6
97.02897	12.0
97.10171	7.6
99.08056	11.1
105.05940	5.6
105.07018	41.1
107.08580	53.3
109.10120	27.5
117.06982	18.0
119.08553	33.6
121.10117	60.3
123.11682	26.3
125.09621	9.6
131.08537	37.2
133.10117	35.3
135.11674	68.2
137.31592	6.9
145.10100	34.8
147.11642	18.7
149.09610	7.5
149.13251	28.1
159.11681	31.6
161.13333	6.1
163.11137	6.9
171.11650	6.5
173.13235	21.8
189.16307	7.1
205.19473	11.5
215.17906	78.7
233.18944	63.1
234.92943	5.6
243.84087	5.5
307.22617	28.0
338.13199	6.0
352.83365	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	487.3414
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.01867	5.6
55.05503	14.2
67.05500	20.7
67.53398	4.7
69.03420	10.5
69.07066	15.6
77.03958	4.8
79.05487	27.4
81.07040	59.8
83.08611	4.7
84.20513	4.9
91.05466	27.9
93.07035	45.8
95.04992	7.9
95.08598	90.8
97.06532	12.4
105.07009	83.9
107.08580	65.3
109.10149	64.1
111.08067	11.6
117.07009	11.0
119.08555	86.4
121.10130	55.1
123.08056	6.4
123.11726	18.6
125.09628	17.4
129.06979	11.7
130.07742	4.5
131.08554	51.2
133.10115	63.3
135.11691	60.0
143.08563	28.7
145.10109	100.0
147.11664	55.1
149.13283	16.7
155.08615	6.8
157.10120	42.1
159.11653	67.8
161.13234	44.1
163.11208	5.5
163.14816	13.0
169.10204	10.7
171.11581	24.5
172.12259	5.0
173.13260	35.5
175.14807	44.7
177.16403	14.8
179.14256	10.7
183.11649	12.7
185.13229	40.5
187.14798	80.1
189.12625	5.0
189.16307	28.7
191.14325	17.9
191.17908	7.3
193.15860	11.9
197.13252	12.1
199.14784	55.1
201.16374	58.5
202.16821	4.7
203.14293	20.3
203.18001	5.9
205.15839	44.9
211.14795	14.4
213.16354	27.4
215.18001	10.0
217.15851	36.0
219.17439	36.4
223.14671	5.6
225.16396	9.9
227.14165	5.0
227.17888	12.4
229.15872	5.8
231.13704	5.4
231.17497	25.0
233.15358	15.0
233.19040	13.4
237.04611	4.8
245.15356	11.8
245.19086	10.2
247.16730	7.0
281.22440	5.2
295.20813	6.3
299.23615	13.6
309.22168	6.4
311.23584	7.3
387.30145	10.5
393.31317	20.4
405.31488	47.1
421.31021	5.4
423.32599	63.9
424.33316	6.8
433.30862	11.3
439.31818	9.8
451.32010	41.4
469.33051	15.8
487.34229	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.05502	0.8
56.96561	0.6
57.03429	0.8
65.03929	2.4
67.05482	0.7
67.38695	0.3
69.03421	1.9
69.07102	0.5
69.15311	1.0
69.15720	1.0
70.06576	0.6
72.08141	4.0
73.02904	0.6
81.03409	6.5
84.08112	0.5
85.02888	1.7
86.09686	4.7
91.05493	0.8
93.03371	0.3
95.04953	2.4
95.08597	0.3
97.02887	3.3
98.97567	0.8
99.04461	0.9
107.04924	0.4
109.02865	2.7
110.03230	0.4
111.04402	2.0
115.03894	0.7
116.98627	0.4
119.08595	0.4
121.02853	73.1
121.03880	2.6
121.28061	0.3
122.03187	1.3
124.07526	0.3
127.03903	1.2
132.04436	10.0
137.05956	0.8
137.09576	0.6
139.03893	6.0
145.04918	0.7
154.04945	0.8
163.03825	1.9
164.04221	0.7
165.09091	0.4
178.04970	74.7
179.05296	1.5
185.16299	0.5
190.04985	0.6
201.12308	0.6
206.04463	100.0
207.04794	2.9
221.05934	0.7
222.06250	1.3
239.31281	0.3
249.05313	0.5
250.05707	0.8
265.07034	8.0
280.05988	0.8
282.18088	1.2
283.08090	2.3
295.06006	1.3
296.06372	2.4
300.19135	0.6
317.08282	0.9
326.12122	0.6
335.09494	0.8
336.10071	0.4
428.16623	1.3
435.95816	0.4
469.57318	0.4
487.21521	2.1
488.21780	8.5
489.17374	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05685	1.0
54.29349	1.1
55.01847	2.2
55.05495	3.9
57.03434	6.1
57.11625	1.1
59.60006	1.1
61.02912	4.3
69.03419	10.8
71.04984	35.7
73.02911	3.0
75.04451	2.7
81.03407	3.0
83.04469	1.5
83.04967	27.9
85.02892	100.0
86.95943	1.0
87.04443	2.3
91.03951	3.1
91.05502	1.6
95.04970	1.4
95.08552	1.2
97.02873	15.3
99.04430	2.6
107.91562	1.4
109.02866	3.3
109.10128	1.6
111.04421	15.1
127.03897	17.0
129.05450	30.9
145.04936	22.6
147.06493	13.2
160.03931	2.0
163.05998	10.2
164.09146	1.2
195.74081	1.2
219.85707	1.2
237.07535	2.3
255.08620	4.6
273.09662	3.4
309.11597	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.05500	1.4
55.77580	1.3
57.03428	1.8
60.88889	1.2
61.02911	3.8
63.55808	1.3
67.05490	3.0
69.03419	14.6
69.07058	2.7
69.15086	7.9
70.06581	2.0
71.04988	4.9
73.02904	3.7
73.31380	1.3
79.05472	2.1
81.03399	14.3
81.07046	3.4
83.04951	3.1
85.02896	61.8
86.09710	2.3
91.05467	1.8
93.07031	2.2
95.04945	1.3
95.08595	5.3
97.02882	37.8
97.03484	2.5
99.04443	35.6
103.03926	64.0
105.07017	1.9
107.81838	1.2
109.02869	19.6
109.10133	3.9
115.03918	3.5
117.07001	2.2
119.08557	1.9
119.55164	1.3
121.06467	1.2
121.10134	2.3
123.08094	1.5
127.03899	100.0
131.08475	1.8
132.04398	1.5
135.08028	3.4
135.11711	1.6
135.22539	1.2
137.05963	1.1
145.04947	60.7
152.79492	1.3
159.11682	16.6
163.03871	2.8
163.06012	26.0
165.09119	2.4
167.10684	1.7
169.04938	2.3
177.12851	1.3
187.05980	3.6
195.10159	3.7
217.07037	1.8
231.09969	1.6
271.08115	8.9
271.10580	1.4
273.18195	1.4
289.09155	4.7
309.34601	1.3
472.37833	1.4
488.21606	6.0
489.20953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.6
57.03429	15.0
57.07075	11.1
58.06582	6.0
61.02923	2.1
61.45807	2.1
69.03404	4.1
70.06585	4.3
70.77768	1.9
71.04985	80.4
72.08138	6.4
73.02898	2.8
75.04463	5.0
75.97269	1.9
83.04960	10.0
83.79372	1.8
84.04498	7.3
84.08122	5.4
85.02896	100.0
85.06541	12.2
86.09694	18.8
87.04459	3.5
95.04956	5.3
97.02894	5.3
101.06015	3.5
102.05510	2.5
102.67599	2.3
103.07569	76.3
104.68344	1.8
111.04446	4.4
113.05994	2.9
122.02711	2.6
127.03891	4.2
127.07519	6.9
129.05469	39.4
131.07002	3.4
133.02852	4.2
145.04851	2.2
145.08614	7.3
147.04358	9.5
147.06487	21.6
161.02115	1.9
163.03893	2.8
163.09647	55.4
205.08565	3.6
255.08540	2.3
255.12279	4.5
265.03329	2.7
268.22144	1.9
303.46292	2.0
309.15573	1.9
424.22568	1.8
429.11700	2.0
441.03375	1.9
447.98950	2.4
448.11276	2.1
457.34207	1.8
464.08545	1.8
470.26740	2.1
489.18115	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	488.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01861	5.9
57.03423	13.5
58.06607	2.4
61.02921	7.0
61.96172	2.2
62.79744	2.1
67.05498	12.3
69.03414	22.0
71.04967	7.2
71.08620	19.2
72.08142	10.2
73.02911	31.4
75.69083	2.3
79.05481	3.0
81.03410	10.6
81.07066	13.0
83.04953	3.9
84.04492	2.7
85.02898	34.9
85.06525	4.7
86.09689	12.8
87.04460	2.8
91.05513	2.3
95.04964	5.5
95.08597	4.0
97.02878	34.6
98.97536	5.7
99.04466	3.4
99.08082	16.6
107.08606	2.6
109.02873	8.2
109.06504	7.4
109.10180	16.4
115.03907	14.8
117.09115	100.0
127.03918	16.0
127.07545	4.2
129.10263	4.5
131.04887	3.3
133.04955	17.6
136.08417	3.6
137.05930	3.2
137.09583	36.8
141.09093	17.0
145.04945	15.7
145.08600	6.9
148.74776	2.7
155.34787	2.4
159.10127	9.2
163.03903	9.9
163.05956	4.4
163.07283	3.0
163.39693	2.8
164.04274	8.2
165.09096	31.2
177.05403	5.9
177.11198	86.0
177.12744	4.3
185.16298	3.3
201.11162	3.6
208.89130	2.4
213.16037	3.3
241.07076	4.7
259.08078	4.3
269.47189	2.3
270.18381	3.7
295.05838	2.2
326.06592	2.4
327.14197	6.4
488.15625	3.3
488.21863	39.2
489.19083	7.2
489.26529	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	488.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.7
57.03428	16.9
58.06578	1.9
59.04989	4.4
61.02914	8.5
68.07958	2.0
69.03422	26.7
69.07047	3.1
70.06575	4.4
70.54848	1.9
71.04971	12.3
71.08620	62.0
72.08144	3.5
73.02904	38.9
79.05474	4.3
81.03403	5.8
81.07050	19.8
83.04974	5.1
84.08137	8.8
85.02892	50.6
85.06548	5.2
86.09702	14.6
87.04474	2.6
91.05503	2.4
95.04958	5.3
96.05289	2.7
97.02876	39.2
98.97576	7.0
99.04430	3.5
99.08078	26.0
109.02854	6.4
109.06497	17.7
109.10136	3.3
115.03910	16.0
116.98646	3.9
117.09113	64.6
120.55211	1.8
127.03911	16.1
127.07559	6.3
129.10187	2.9
133.04939	19.3
135.08078	3.3
137.09595	5.0
141.09084	100.0
145.04939	19.5
145.08553	14.8
145.12370	2.4
155.33327	2.3
158.99709	2.6
159.10121	13.7
163.03874	4.2
163.06006	6.5
165.09004	3.0
177.00677	2.9
177.11194	95.0
178.11621	2.9
223.05942	2.7
241.07083	4.8
255.12399	2.5
259.08066	4.8
273.13327	6.6
291.14304	8.5
299.07227	2.8
308.12424	3.2
326.13385	3.3
408.45523	2.3
428.16592	5.2
488.21902	11.5
489.15442	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.0
54.66181	1.2
55.05516	1.2
57.07068	87.5
61.80534	1.1
68.78468	1.0
70.05319	2.5
71.08613	2.2
87.04452	9.2
89.06019	100.0
91.05470	9.3
93.07025	18.0
95.04967	7.0
98.22713	1.3
103.05437	3.7
105.04524	1.7
105.07053	1.4
107.07046	2.2
107.08593	2.2
109.06542	1.6
117.07016	1.2
118.07755	4.9
119.04930	5.8
119.08582	6.9
121.06487	64.9
122.06828	1.9
123.29382	1.1
131.06964	1.4
133.08589	63.8
133.10103	2.4
135.08025	3.6
135.11661	3.0
147.08014	14.3
149.09612	4.4
150.06732	2.9
159.11691	2.1
163.11133	1.5
165.09094	39.2
167.10703	2.3
177.11214	27.0
177.12711	2.5
185.99796	1.2
191.10669	1.9
209.11714	16.1
221.13921	2.6
233.18965	20.0
235.13211	1.7
253.14328	4.2
259.20618	1.7
271.15320	6.5
274.24506	1.1
277.21588	33.8
299.46649	1.1
315.17953	4.4
321.24274	6.9
359.20584	79.0
360.20798	3.2
427.64532	1.1
471.33109	33.7
472.33359	2.5
488.35632	2.5
491.85434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86672	0.7
56.96556	12.1
57.13728	0.7
58.84254	0.6
67.38912	0.7
69.37180	0.8
69.40465	1.4
69.40877	2.3
69.53912	0.7
69.93294	0.6
71.87916	0.7
72.08174	0.8
76.22575	0.6
84.04490	0.7
84.96024	7.2
98.97574	36.7
107.19482	0.7
110.97557	19.0
112.99113	2.1
116.98616	10.4
124.99167	1.8
128.98596	17.3
131.00171	1.4
134.99667	1.5
140.98552	9.8
143.00145	5.3
144.98073	1.8
146.99641	6.0
152.98576	3.4
158.99644	12.7
161.01208	2.7
165.00601	1.1
168.98080	1.4
170.99634	6.7
177.00713	7.2
182.99666	3.4
186.99165	4.0
187.24391	0.8
189.00702	3.5
194.99628	3.6
197.01247	0.9
201.00667	9.8
202.01161	0.8
209.01129	1.3
213.00713	6.7
218.53850	0.9
219.01735	49.6
225.00681	3.8
227.02220	1.4
231.01799	1.2
237.00783	3.4
237.02785	70.2
238.03206	2.3
243.01749	2.6
255.01581	1.4
255.03925	4.7
272.59042	0.7
273.02905	1.5
281.51654	1.0
285.02744	8.5
303.03821	7.1
306.64398	0.8
315.03821	100.0
316.04230	4.4
333.04877	90.7
334.05344	4.1
356.06827	2.0
397.21835	0.7
504.84103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1003
Annotation	NESS 0327
Peak:m/z	Relative Intensity
56.96553	1.0
67.06346	0.6
70.06566	0.7
71.44246	0.6
71.49344	0.5
81.18324	0.6
81.57993	0.6
84.04496	0.6
84.08137	0.8
86.09692	0.9
92.71239	0.6
97.17339	0.7
98.97554	1.0
110.97597	0.7
146.90546	0.6
166.08614	0.7
178.08635	0.8
189.00748	0.7
206.11748	2.2
223.14423	0.8
223.59720	0.7
230.77431	0.6
237.02817	0.9
250.49522	0.6
256.87360	0.6
274.87830	0.6
280.40649	0.6
317.87622	0.8
333.04971	0.6
410.15866	0.7
489.09961	100.0
489.21841	3.5
490.10266	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	489.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	1.1
67.37643	0.3
67.71716	0.4
88.85296	0.4
91.05455	0.5
91.81262	0.4
99.06590	0.4
137.05963	1.1
137.61201	0.4
179.07158	0.4
189.13802	0.4
213.07445	0.6
317.08414	1.7
357.11615	2.1
359.09354	1.5
429.13678	5.1
430.14005	0.4
489.15729	100.0
490.16043	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99223	0.3
57.20232	0.3
70.06569	0.4
70.62170	0.6
71.04961	0.3
74.24635	0.3
79.43491	0.3
85.02916	0.4
86.09695	0.9
137.05898	0.8
145.08621	0.8
153.05229	0.5
155.03104	0.4
213.07300	1.4
238.93951	0.3
299.07236	0.7
317.08374	1.1
327.13339	1.3
357.11496	1.3
359.09387	1.2
369.14267	0.6
423.60056	0.4
429.13354	4.9
471.17950	0.4
489.15665	100.0
490.15973	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	489.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84509	0.3
69.03423	1.1
70.06582	0.9
70.72283	0.6
71.04984	0.8
79.05494	0.8
81.03421	0.6
83.04908	0.4
85.02897	0.6
86.09680	1.6
90.33845	0.4
93.07042	0.4
95.04942	0.6
95.84075	0.4
97.02870	1.2
104.05332	0.4
105.63757	0.4
109.02888	0.5
109.10120	0.5
122.35914	0.4
127.03939	0.7
129.56285	0.4
133.02829	0.6
137.05959	1.4
137.09598	1.4
145.08533	0.4
147.28314	0.4
155.03148	2.2
165.09099	1.3
167.26616	0.3
177.16185	0.4
186.40668	0.4
213.07272	5.4
229.45670	0.4
261.08966	1.0
299.07443	2.5
317.08289	0.8
327.06943	0.5
327.13742	0.4
339.10260	0.4
353.53915	0.4
353.58630	0.5
357.11514	3.6
359.09299	0.9
387.05194	0.4
429.13745	1.5
475.98798	0.4
489.15646	100.0
489.25983	2.9
490.15878	4.5
505.30377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42484	0.2
53.03926	0.4
55.01854	0.6
55.05485	0.4
57.03406	0.3
61.02905	0.8
65.03915	0.2
67.05490	2.9
68.99775	0.5
69.03420	1.9
69.07063	0.3
69.78685	0.7
71.04971	0.3
73.02885	0.3
75.74927	0.2
78.04665	0.3
79.05475	0.9
81.03387	0.7
81.07041	2.8
83.01327	0.9
85.02891	3.6
87.04456	0.2
88.82120	0.2
91.03944	0.3
91.05464	1.9
93.07031	2.2
95.04939	0.8
95.08585	3.0
97.02869	1.4
98.23447	0.4
103.05453	0.6
105.03342	0.2
105.04489	0.3
105.07001	0.8
106.04141	0.4
107.04868	0.2
107.08563	0.8
109.02876	0.3
109.06505	0.4
109.10137	10.6
117.06963	0.2
119.04885	0.4
121.02823	0.3
121.06487	6.2
121.10128	2.4
123.11673	2.8
125.69003	0.2
127.03888	0.9
129.06906	0.2
130.01027	0.2
131.04900	2.8
131.33177	0.2
133.06511	0.2
134.03587	1.1
135.11688	0.5
145.04910	0.5
147.04401	0.7
149.05933	2.7
159.04405	1.0
162.03093	10.9
163.03703	0.4
163.07504	0.4
165.05464	0.3
175.07561	0.2
177.05453	2.6
189.05388	0.5
190.02573	20.5
191.03064	0.7
191.07034	0.5
193.04922	0.4
199.03926	0.4
203.03320	0.3
204.04282	0.4
205.04919	100.0
206.05258	2.4
207.06511	2.0
217.04918	0.4
219.06470	9.9
220.06821	0.3
227.06944	0.4
231.06470	0.7
233.08063	3.3
243.06529	0.3
245.08073	0.7
246.07802	0.3
247.09628	3.2
257.07913	0.3
259.09607	1.4
271.09570	4.7
272.09924	0.2
283.09625	0.4
285.11166	1.7
297.11349	0.3
320.32062	0.2
327.15836	16.8
328.16025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
67.05495	1.9
69.03426	1.7
69.07066	1.3
70.06573	1.6
70.10017	1.5
73.02908	0.8
79.05491	0.9
81.03407	0.7
81.07040	4.1
83.08615	0.7
84.04494	1.3
85.02883	1.8
85.06515	0.7
86.09680	1.1
88.07651	0.5
91.05481	1.6
91.83645	0.6
93.07030	1.8
95.08584	2.2
97.02860	1.3
97.06494	0.7
98.22794	0.8
100.16422	0.6
102.05504	0.7
105.07000	1.4
106.09892	0.6
107.08575	0.7
109.02821	0.8
109.10142	2.8
111.08115	0.7
115.03901	0.7
119.08577	1.5
121.10123	1.2
123.11714	1.0
125.09611	0.6
125.97224	0.5
127.03938	1.0
130.04982	1.5
135.11635	0.9
137.05974	2.1
137.09570	2.7
145.04927	1.0
147.07697	0.7
148.06052	1.2
149.06247	0.6
149.13286	0.9
163.03903	1.5
165.09021	4.4
175.07576	0.6
327.14465	0.6
357.18719	8.6
489.23026	100.0
490.23318	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	489.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18962	2.0
55.01867	2.4
55.05503	11.8
57.03430	15.8
57.07072	3.0
67.05493	51.7
69.07063	11.8
79.05483	41.0
81.07045	64.5
82.73442	1.8
83.08617	7.5
91.05473	23.7
93.07034	50.2
94.07361	1.7
95.04948	5.0
95.08591	51.9
97.06494	1.8
97.10165	3.3
98.98454	82.0
105.04491	2.0
105.07010	18.0
107.08573	35.5
107.09254	3.1
109.10143	21.7
111.08075	2.7
117.07014	7.7
119.08571	18.2
121.10127	27.2
123.11710	9.4
125.09641	2.3
131.08546	15.7
133.10081	14.0
135.11664	21.0
136.99977	5.7
137.13191	2.6
145.10092	14.1
147.11691	12.2
149.13242	12.2
151.71498	1.7
155.01018	72.3
159.11703	11.6
161.13242	8.7
163.14799	6.5
172.38165	1.8
173.13245	12.4
175.14801	3.9
177.12608	2.9
177.16367	1.9
183.11526	1.9
187.14783	5.9
205.15816	2.2
211.03635	7.3
229.04707	6.9
233.22641	3.3
243.21069	20.5
261.22104	39.4
299.23621	3.6
300.21924	2.0
308.26678	1.8
317.24680	17.4
335.25739	100.0
336.26019	6.6
415.22232	2.3
471.24927	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	489.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90145	0.3
53.03941	0.4
53.91794	0.3
55.01855	1.2
55.05507	4.2
56.11090	0.4
57.03419	1.7
57.07042	0.4
59.34143	0.4
65.03920	1.1
67.05496	12.0
69.07048	2.6
69.39806	1.3
71.04980	0.6
77.33060	0.4
79.05488	5.7
81.07047	13.2
83.08600	2.2
84.40276	0.4
85.06530	0.4
87.76373	0.4
91.05466	12.2
91.70983	0.5
93.07029	6.1
95.04943	1.2
95.08013	0.8
95.08597	10.0
97.06528	1.6
97.10148	1.3
98.22744	0.8
102.64301	0.4
105.07005	1.5
107.08576	4.0
109.10145	4.0
111.08076	1.3
117.07021	0.5
119.04929	20.1
119.08574	1.7
121.10127	5.0
121.70097	0.3
123.08080	0.5
123.11700	2.1
125.09647	0.4
129.05533	0.4
131.08546	1.4
131.19115	0.4
133.10117	3.5
135.11685	2.8
137.09570	0.8
137.13158	0.6
145.10098	0.7
147.04390	100.0
148.04707	2.2
149.13245	1.6
151.11179	1.4
165.04059	0.9
165.05463	18.4
173.13281	0.7
175.49883	0.3
215.17946	3.1
221.08112	1.1
233.18964	2.1
251.20081	2.6
292.74673	0.4
325.23697	15.1
326.24033	0.7
489.28333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20159	6.1
55.05507	20.8
57.07065	11.3
57.38371	6.4
62.09972	6.8
67.05497	100.0
67.29640	6.2
69.07056	28.4
71.08612	6.5
79.05489	30.4
81.07040	98.6
83.08606	14.4
85.02917	5.9
85.10178	7.7
91.05464	31.6
93.07027	34.9
95.08599	98.8
97.02930	7.4
97.10173	14.9
99.08074	8.9
105.07000	16.5
107.08576	25.6
109.10166	25.5
119.08610	17.8
121.10146	23.4
123.08067	8.5
123.11697	20.8
133.10117	26.5
135.11684	24.6
137.09581	8.5
137.13252	17.7
147.11690	13.1
150.43120	6.0
151.14835	13.5
161.13211	17.0
165.09082	31.8
217.19472	68.4
225.61734	6.4
235.20543	64.0
309.24207	29.4
376.71393	7.9
431.21902	9.4
489.26682	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01863	1.2
55.05508	17.2
57.03421	3.5
57.07062	1.4
59.04988	3.8
62.04042	0.8
64.72314	0.7
65.03923	2.6
67.05495	100.0
69.03412	2.0
69.07061	11.3
71.04970	2.1
77.03883	1.0
79.05037	1.8
79.05483	31.9
81.07047	41.1
83.04960	2.0
83.08613	10.6
85.06520	2.4
87.04467	0.8
91.05469	24.5
93.07033	32.2
95.04959	6.6
95.08595	28.2
95.09210	1.4
97.06509	1.4
97.10151	3.4
98.22628	1.6
99.08045	1.3
105.07008	17.2
107.08570	19.2
107.09245	1.4
109.06557	1.9
109.10143	57.6
111.08064	3.5
117.07007	6.4
119.08563	26.3
121.10133	15.2
123.08092	0.9
123.11675	2.4
125.09615	1.7
125.43386	0.8
129.06989	2.9
131.08546	14.2
133.10129	11.7
135.11678	10.2
137.09607	3.5
137.13205	1.0
139.11119	1.8
139.26309	0.8
141.06950	1.1
143.08551	3.8
145.10103	12.3
147.11684	9.1
149.13237	4.8
155.08507	1.3
155.10654	2.4
157.10112	3.4
159.11670	8.9
161.13248	6.0
163.14845	1.5
169.10118	1.6
171.11697	3.2
173.11737	14.4
173.13261	5.0
175.14790	1.6
183.11668	2.1
185.13258	3.7
187.14836	3.0
189.11336	0.8
189.16371	1.2
197.13245	2.0
199.14754	1.9
201.16362	2.0
211.14835	1.1
214.07664	0.7
221.13376	0.8
227.17824	1.0
229.14311	1.5
239.17947	1.2
243.21127	2.7
259.20483	1.0
261.22031	7.8
273.22299	1.2
275.20215	1.3
275.54349	1.1
283.79926	0.9
285.22025	1.2
289.21280	1.1
299.23721	1.3
317.24750	3.2
377.26584	1.3
379.29849	5.8
391.28464	1.7
397.30988	8.0
415.32153	2.5
433.32895	1.6
471.34604	6.5
489.35693	83.4
490.36133	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	489.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
54.20892	1.2
55.01865	2.7
55.05509	19.9
57.03440	5.9
57.07062	3.5
59.04996	4.3
59.59795	1.0
65.03942	3.4
67.05497	100.0
69.07056	15.8
70.57739	2.4
71.04980	3.1
79.05480	32.6
81.07047	48.1
83.04967	3.6
83.08604	10.6
83.14265	1.2
85.06540	3.1
91.05466	27.9
93.07030	36.5
93.07594	2.2
95.04946	6.9
95.08595	27.5
97.06527	3.5
97.10156	4.9
99.08109	2.0
103.05489	1.4
105.04530	1.8
105.07017	26.7
105.07710	1.9
106.07288	1.3
107.08588	24.5
109.06515	2.6
109.10141	54.8
111.08096	2.7
117.07004	10.4
119.08571	27.7
120.12624	1.2
121.10123	16.1
123.11719	2.4
125.09634	2.4
128.06242	1.6
129.06996	3.5
131.08546	19.3
133.10110	16.2
135.11673	11.8
137.09633	2.3
138.60358	1.3
139.11150	1.8
141.06960	1.9
143.08533	3.7
145.10104	14.6
147.11658	12.8
149.09634	1.5
149.13264	5.5
151.65302	1.2
155.08575	2.9
155.10626	2.7
156.94841	1.2
157.10172	3.4
159.11678	12.6
161.13240	8.6
163.14844	1.8
169.10103	1.8
171.11697	5.1
173.11748	13.9
173.13271	7.9
175.14842	3.4
183.11792	2.7
185.13260	3.7
187.14847	4.4
189.16402	1.8
195.11690	1.2
197.13289	2.8
199.14818	2.1
201.16405	2.1
203.21034	1.2
211.14932	1.7
213.16505	2.3
241.19498	2.4
243.21263	1.6
243.34309	1.3
253.90417	1.3
261.22092	8.4
285.22083	2.6
299.23688	2.1
311.23657	1.2
315.23502	1.4
317.24744	4.3
369.66489	1.3
377.26855	1.9
379.29922	10.6
397.31024	11.8
415.32092	3.8
471.34576	10.0
489.35724	89.2
490.35654	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	490.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
59.04992	0.6
69.03405	0.7
71.04984	1.5
79.05476	0.9
85.02885	0.9
89.03896	0.7
89.06009	0.5
91.05470	2.1
93.06997	0.7
93.13246	0.5
97.02846	0.6
98.22721	1.5
105.07014	1.5
109.10159	0.7
111.96625	0.5
115.05410	1.4
117.03362	1.8
119.08578	3.3
119.51417	0.5
123.04414	1.1
127.03904	0.6
127.07529	0.9
128.06235	1.2
131.04938	0.6
132.05716	1.0
132.82368	0.5
133.02867	0.6
133.06468	2.1
133.10117	1.2
137.05954	1.7
143.08557	3.5
145.02795	3.4
145.08572	4.8
146.07278	1.1
147.04404	3.0
149.06035	0.7
160.05182	30.7
161.05957	20.4
161.09622	3.8
162.06392	0.6
165.09016	0.9
171.08017	1.3
174.06731	10.7
177.05435	4.9
189.09082	100.0
190.09381	3.7
191.03348	1.7
192.03748	0.6
201.09264	0.5
201.18687	0.7
224.79335	0.5
287.05344	0.7
311.09494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
57.03419	0.9
58.99576	0.5
60.53343	0.4
61.02897	0.7
69.03419	3.7
70.06572	1.2
76.02228	1.1
79.05468	0.7
81.03412	1.4
81.07021	0.6
85.02885	7.7
86.99042	0.5
91.05467	2.8
93.07029	0.7
95.04981	0.5
97.02868	3.0
99.52356	0.5
100.02194	2.1
103.05431	0.8
105.00127	0.8
105.03421	0.5
105.07009	1.9
107.04913	1.4
109.02850	1.3
115.05457	2.1
116.07069	1.0
117.06987	0.7
119.04925	0.9
119.08582	4.8
121.06479	2.7
122.02713	10.6
123.04389	1.3
127.03876	1.4
128.05304	0.4
128.06200	2.0
131.04913	1.3
132.05670	1.0
133.06461	2.8
133.10109	0.9
134.02637	0.5
135.04413	0.7
137.05966	3.2
143.04869	0.7
143.08546	3.1
145.04921	1.4
145.06421	0.5
146.02673	1.9
146.07254	0.9
147.04402	4.5
148.05151	0.9
149.05959	20.6
151.03870	0.6
160.05174	30.0
161.05951	22.5
161.09572	3.2
162.06367	0.8
163.03841	1.3
163.07504	2.6
164.03751	0.8
171.08017	1.0
171.46451	0.4
174.06729	12.4
177.09081	2.3
189.09073	100.0
190.09401	3.1
207.10126	14.3
248.05847	1.4
272.95804	0.5
282.92783	0.5
284.07898	8.0
284.10675	0.7
328.12073	13.3
329.12305	0.6
421.62152	0.5
490.18167	0.6
513.86292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01872	0.6
57.03423	0.6
57.50093	0.5
67.05494	1.3
69.03413	2.3
71.04979	31.5
75.66398	0.7
79.05467	1.0
81.03397	2.4
81.07016	0.7
83.04948	0.6
85.02893	3.2
85.06525	5.6
91.05453	0.8
93.07043	0.7
95.04945	1.3
95.08563	0.8
97.02875	4.0
97.06493	0.5
103.07554	0.7
105.07020	0.5
109.02878	2.5
109.10123	1.4
113.05974	5.4
119.08521	0.6
121.02843	3.4
124.03883	0.5
127.03916	2.6
127.07536	18.4
131.04869	0.8
131.07025	7.4
137.05962	2.3
145.04916	2.4
145.08572	100.0
146.08878	0.9
147.87476	0.6
149.05952	2.0
155.06995	1.1
163.03851	1.7
171.63792	0.6
173.08095	1.3
179.03395	1.1
191.03326	3.2
191.09105	6.6
191.10663	1.9
205.04901	1.3
207.02834	3.3
257.10129	1.1
309.11243	0.6
317.12180	1.1
329.13672	2.8
335.13281	0.6
490.26913	0.7
491.30466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01880	0.8
55.05499	1.2
57.03430	10.8
59.04990	0.9
60.04511	0.6
61.02909	1.4
69.03416	2.6
69.37824	1.4
69.38204	1.4
70.06579	0.8
71.01354	1.0
71.04983	78.5
73.02898	2.1
74.43916	0.6
75.04470	4.3
78.41385	0.7
79.05486	1.0
81.03426	1.5
83.04974	6.4
84.34247	0.6
85.02893	100.0
86.03220	1.1
87.04448	2.7
91.03985	0.7
91.05463	1.0
95.04961	1.1
95.08590	0.7
97.02898	4.1
99.04446	2.2
101.05984	0.9
103.03917	1.0
105.07028	2.4
107.04934	1.5
109.02880	1.7
109.06556	0.8
111.04449	3.6
123.08052	2.9
124.05213	2.5
127.03900	3.4
128.74246	0.6
129.05461	42.8
131.04918	1.1
133.02792	5.4
133.06450	1.5
135.04367	0.7
137.05960	5.5
138.06267	0.7
145.04958	2.8
146.08128	1.5
147.06491	17.7
148.03909	14.6
148.06781	0.6
151.03815	0.8
152.07019	3.4
161.05971	0.7
162.07599	0.9
163.06264	18.5
163.07349	0.7
164.07005	2.7
164.09164	4.9
165.05455	1.3
165.09087	9.5
167.07013	1.7
180.08624	1.3
181.04948	1.4
225.14771	1.3
231.10196	0.8
236.07013	19.9
237.07483	0.6
252.06337	0.7
255.08583	1.1
268.09625	1.4
276.49869	0.6
296.09067	9.1
297.09402	0.8
328.11624	1.3
363.38394	0.6
407.49271	0.7
433.07245	0.6
481.86102	0.7
490.23151	1.4
490.33911	4.4
491.22955	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01863	2.6
55.05497	0.9
56.00331	0.5
57.03425	2.2
58.44616	0.4
61.02915	2.6
67.05513	2.3
68.97079	0.4
68.99778	1.0
69.03423	11.4
69.07057	1.7
71.04983	5.7
71.44655	0.5
73.02914	2.9
76.39327	0.4
79.05470	1.5
79.90015	0.4
81.03407	8.0
81.07034	2.2
83.04967	2.3
85.02892	26.6
85.06522	1.2
87.00818	11.1
87.04459	0.6
91.03905	0.7
91.05482	1.2
93.07037	2.3
95.04958	2.1
95.08596	3.7
96.08919	0.5
97.02876	12.3
97.06521	1.2
99.04448	4.5
99.08066	2.9
103.03915	0.5
105.01856	12.0
105.07022	1.8
107.04935	0.8
107.08593	2.0
109.02863	7.4
109.06493	5.7
109.10136	1.6
110.10495	0.7
111.04423	3.1
111.06413	0.4
111.08091	0.6
113.06021	0.7
115.03940	1.2
117.01833	1.0
119.08556	1.8
121.02840	0.5
121.06489	1.9
121.10127	4.4
123.08051	100.0
124.08389	1.7
125.09595	1.1
127.03899	17.3
127.07520	2.6
129.01813	0.8
131.07014	1.1
133.10141	0.7
135.11716	0.9
137.05991	0.7
137.09644	1.6
139.07521	0.5
139.74976	0.5
145.04932	8.4
145.08578	11.4
145.10062	0.8
147.02841	0.7
147.11659	1.2
148.03960	0.6
149.09601	4.5
151.07549	0.7
151.11122	1.5
155.01953	0.4
159.02884	4.1
161.13260	1.1
163.03989	0.4
163.06236	0.6
163.11172	1.1
165.09103	1.0
165.12691	0.5
167.10649	2.0
175.14835	0.5
181.12201	9.7
189.03864	0.8
189.12720	2.0
191.09259	0.5
197.08060	0.5
207.13782	8.7
225.14825	28.3
226.15202	1.1
231.04951	3.8
249.05928	0.9
264.55612	0.4
296.09021	0.5
298.96982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30398	1.9
55.85453	2.1
56.28837	1.7
57.50675	1.8
66.92586	2.1
69.03415	4.5
70.06591	3.7
70.92470	3.0
71.04979	2.2
75.71402	1.8
81.03397	2.6
81.07047	4.2
85.02898	33.8
85.81834	2.1
86.09709	4.2
87.00820	4.6
91.05463	7.5
93.07035	3.5
94.95438	1.8
95.04941	2.4
97.02864	5.7
99.04433	2.5
105.07014	10.4
107.08587	5.5
109.02868	5.0
109.06513	2.7
109.10166	2.6
117.07053	3.6
119.08561	13.9
120.66782	1.7
121.10091	2.4
123.11694	16.1
127.03931	4.2
130.07732	2.8
131.08551	3.2
133.06476	5.8
135.08044	1.9
137.05942	21.0
138.06290	4.8
145.10086	17.0
147.04385	3.8
147.11682	24.5
149.09608	2.3
151.07504	3.5
156.09335	5.7
159.08054	3.0
161.05928	3.8
171.01788	2.0
171.11702	4.8
174.10530	2.2
179.01607	2.4
179.07057	5.9
187.07513	3.2
188.08360	3.2
189.12730	100.0
203.91255	1.6
203.98767	1.8
207.13829	20.3
213.12918	2.2
221.04474	2.0
221.06256	12.5
225.14845	4.5
225.16789	1.9
255.91556	2.0
286.11572	3.0
310.11166	3.9
328.12515	5.0
449.30566	2.6
490.18033	3.1
491.16403	2.2
491.31989	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	490.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	1.9
60.08157	16.8
67.05497	2.8
70.95091	1.9
71.07368	8.1
79.05500	5.6
81.07076	2.1
86.09695	52.1
86.10207	3.1
91.05492	1.5
93.07059	2.6
95.08598	2.4
98.98486	5.2
104.10730	100.0
107.16015	1.5
108.23884	1.2
119.08556	1.4
124.99979	30.8
140.12761	1.6
145.10190	1.9
149.02324	14.4
176.36598	1.4
184.07317	97.5
193.04938	9.3
249.80400	1.4
272.33386	1.5
341.06604	3.8
385.09180	7.0
429.11691	2.2
472.28085	6.8
473.14502	11.0
474.14703	2.3
490.29349	20.3
490.36411	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88580	1.0
67.05492	3.7
67.97834	1.1
79.05482	4.0
80.72997	1.2
81.07055	3.4
81.82806	1.2
91.05478	6.4
93.07036	5.3
95.04987	2.7
95.08565	2.7
96.99581	1.6
102.04670	5.0
103.05481	3.5
105.03394	1.5
105.06998	7.1
107.04943	4.2
107.08572	2.7
109.10136	13.6
115.05398	1.4
119.04926	6.3
121.06480	2.7
121.10135	16.8
130.04138	18.0
131.04956	6.4
131.66312	1.1
133.02858	4.1
133.06494	4.8
133.10080	1.4
134.09589	1.6
135.04375	12.7
135.11661	1.7
137.05951	12.8
143.05992	2.3
143.62294	1.5
147.04387	29.4
149.05969	2.8
150.06741	25.1
151.07480	1.5
155.04893	1.5
159.04419	3.8
161.02330	5.4
161.05954	26.3
162.06746	100.0
163.03894	9.6
163.07298	4.9
165.05498	2.2
175.03944	2.2
178.07776	2.2
179.03305	1.6
179.07011	1.8
179.08499	2.5
180.07739	2.0
187.03922	1.5
189.06931	1.3
191.03374	32.5
193.05026	1.2
199.07614	1.7
203.03378	4.6
205.04935	5.9
207.08051	5.5
212.90501	1.2
215.03352	2.4
217.04971	2.0
222.06691	1.3
223.07655	1.5
227.06923	1.5
229.05013	2.5
235.07478	9.9
236.05342	1.3
237.09050	1.3
243.06589	1.4
245.08139	2.8
247.07520	1.4
251.06828	1.6
255.06526	2.6
263.07080	13.2
269.08081	5.2
273.05365	5.0
274.06274	1.6
275.06897	1.9
283.09692	1.5
291.06543	6.5
307.09595	2.2
311.12695	22.5
319.05984	15.8
333.07602	1.5
339.08539	27.1
351.08530	15.3
365.10300	1.7
369.09747	14.0
459.43616	1.3
461.19580	5.0
491.21130	7.2
491.33167	3.5
496.78000	1.7
518.78491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.0
57.03418	1.9
62.63168	0.9
62.71184	0.9
62.98252	5.8
66.01653	0.9
67.05496	6.7
69.07074	1.3
70.50640	2.0
76.50631	0.9
79.05471	2.3
81.07052	5.7
81.55142	1.0
91.05466	1.6
93.07044	3.1
95.08597	4.3
98.98451	7.4
109.10161	1.5
119.08598	1.5
121.10160	1.5
124.93752	31.5
155.00987	5.9
156.96364	43.1
212.98993	3.9
263.23788	1.2
269.37396	1.1
323.19470	2.0
323.93701	1.0
337.27261	8.7
375.24399	1.2
459.18707	12.9
460.19040	1.3
473.26978	1.2
491.21384	100.0
492.21677	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	491.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20757	10.4
60.73299	7.9
60.86879	7.9
69.03418	66.2
69.80399	9.3
81.07047	27.5
91.05460	14.4
95.08599	25.8
97.02870	100.0
115.03920	93.0
119.08543	11.2
144.99777	10.7
147.11577	11.9
179.14334	13.4
249.20351	13.8
272.13141	10.1
311.18408	64.7
396.71579	10.0
398.14343	10.0
458.52075	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	491.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	32.9
56.57528	10.4
60.97206	9.6
67.05492	48.2
69.07066	40.2
69.62434	9.9
71.33928	16.0
79.05483	34.0
81.07049	100.0
83.08607	25.0
85.02885	13.3
85.06565	18.0
89.70254	11.6
91.05459	26.3
93.07045	34.8
95.04956	17.8
95.08599	66.7
97.02858	20.0
97.06520	16.5
97.10177	14.1
99.07993	11.8
105.07001	31.8
107.08604	31.1
109.02851	14.1
109.06504	12.6
109.10141	51.0
117.07059	12.6
119.08510	13.2
121.10131	23.3
123.11700	29.3
133.10155	22.6
135.11740	23.4
137.05954	18.3
137.13252	15.1
166.61685	12.3
191.10666	11.3
202.07693	10.2
243.47752	12.0
293.28281	13.4
491.26166	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	492.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01883	0.5
57.08332	0.4
57.38755	0.4
58.08472	0.4
67.05492	1.0
69.03424	2.3
69.17164	2.4
71.04983	34.4
73.02927	0.5
81.03407	2.6
85.02911	2.0
85.06537	6.3
86.09714	0.5
91.05497	0.5
95.04958	1.1
97.02876	4.1
99.04441	0.9
103.03892	0.6
107.08558	1.4
108.04485	0.6
108.63273	0.4
109.02868	3.0
112.10030	0.3
113.06004	5.7
115.03928	0.4
120.08139	0.4
127.03933	2.7
127.07536	14.9
131.07031	7.6
135.08029	3.0
137.45731	0.4
141.05455	0.5
145.04971	1.9
145.08577	100.0
146.08920	1.5
155.06982	1.2
158.11400	0.4
163.03886	1.0
163.07535	1.7
173.08080	1.6
177.05325	0.5
181.08549	0.8
191.09109	5.6
192.03615	0.5
203.08904	0.4
207.02866	0.4
207.06601	1.2
231.06525	1.5
249.07649	2.3
257.10245	2.5
275.11154	3.7
283.15582	0.4
299.10983	0.8
317.12201	1.4
335.13382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72447	0.7
57.03429	4.7
59.04990	0.9
61.02905	0.9
69.03419	14.2
70.06583	0.9
71.01324	0.7
71.43980	0.7
73.02918	3.4
80.92435	0.6
83.04977	1.0
84.04482	0.8
84.08147	0.9
85.02890	12.8
86.09702	0.8
87.04453	9.0
88.94468	0.7
91.05439	0.8
92.07507	0.7
95.04936	1.3
97.02882	11.1
103.05455	35.7
107.04909	0.8
115.03908	13.8
120.01273	0.8
123.04427	0.9
127.03923	1.3
131.04909	100.0
132.05234	2.2
132.48959	0.7
133.04950	12.2
134.06096	1.0
135.04382	3.6
137.05980	1.0
139.03894	2.8
143.04897	1.0
144.06509	1.3
145.04921	2.5
149.05968	1.4
150.05531	0.8
150.07613	2.3
151.03848	0.7
161.05859	1.5
163.03871	7.2
163.07518	44.9
164.07869	1.3
179.03391	0.9
181.04933	5.1
185.05901	1.3
187.03825	0.8
189.05472	1.3
203.07146	1.0
205.04889	1.4
213.05447	2.4
231.06425	4.5
259.05994	7.4
265.07162	1.7
277.07108	2.8
295.08072	1.4
350.79480	0.7
369.57755	0.7
418.84439	0.7
491.76105	0.9
492.15186	1.3
492.21848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43795	0.6
53.35370	0.5
57.03414	1.4
67.17177	0.5
69.03430	5.1
70.06597	2.6
73.02865	0.5
75.04457	0.5
77.03876	0.5
85.02887	3.5
86.09695	1.8
87.04456	2.5
91.81460	0.5
93.85069	0.6
94.14803	0.5
95.04929	0.7
97.02891	3.2
97.60278	0.6
103.05452	34.0
115.03202	0.5
115.03926	3.1
120.08032	0.5
127.03857	0.6
131.04907	100.0
132.05243	2.0
133.04974	3.1
150.07616	0.6
159.09128	0.9
163.03868	2.0
163.07520	45.7
164.07845	0.7
250.08925	0.5
252.27422	0.6
345.22455	0.7
492.29068	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	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
55.01865	4.3
55.05504	6.4
57.03434	15.1
61.02913	5.1
65.12543	2.0
67.05505	7.6
68.99793	2.5
69.03423	26.7
69.07053	7.3
70.06587	2.6
71.04982	6.3
71.44076	2.7
72.08168	2.8
73.02907	7.3
74.17544	2.0
79.05466	11.0
81.03412	17.7
81.07035	11.9
83.04971	13.7
85.02894	62.9
85.06524	4.1
86.09688	2.9
87.00816	27.6
87.04430	2.2
89.92208	2.1
91.05479	8.8
93.07035	9.4
94.06573	2.2
95.04959	4.7
95.08597	10.1
96.08096	2.3
97.02877	26.6
97.06539	6.2
99.04448	15.6
99.08086	3.3
100.45854	2.1
105.01862	43.5
105.07018	9.0
107.08580	63.4
108.08114	2.8
109.02860	22.8
109.06487	4.8
109.08466	2.4
109.10133	8.6
110.09679	2.6
111.08060	10.7
115.03899	2.3
117.05485	3.4
119.08552	5.9
120.08077	4.3
121.06496	5.2
121.10124	15.8
123.08072	2.7
123.11703	2.8
125.09614	3.0
127.03014	4.4
127.03893	48.6
131.07005	25.5
131.08540	3.8
133.05159	3.2
133.10118	33.9
135.08054	8.4
135.11673	6.3
136.07472	2.2
137.05991	3.4
137.09592	12.2
145.04953	17.3
145.10120	5.0
147.11664	6.2
148.07562	10.3
149.09636	2.6
149.13231	9.2
151.11183	11.2
153.09081	14.9
159.02910	2.8
159.85332	2.2
163.03838	3.6
163.11163	7.2
163.14810	8.1
166.08591	5.1
168.06418	2.3
173.13281	8.4
181.45776	2.1
191.14282	100.0
192.14699	3.0
199.16934	5.2
209.15355	22.0
209.57797	2.2
213.03860	4.2
231.04951	13.8
249.06087	4.6
293.09302	2.5
327.09750	3.0
339.09656	3.8
492.17960	8.2
492.31778	9.9
493.16663	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	492.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57810	0.7
69.46970	2.8
79.05476	1.0
91.05459	3.4
93.07039	1.0
95.05002	1.1
98.40431	0.7
105.07024	1.6
107.04956	5.2
108.05729	1.7
116.79634	0.8
121.06496	1.9
129.06958	1.0
133.06461	1.4
135.04390	3.1
135.07991	1.5
136.05167	8.2
137.05974	2.4
145.06467	0.8
147.08017	3.4
150.06718	2.6
151.07516	100.0
152.07851	2.0
157.06509	0.9
159.08014	1.3
159.76808	0.9
160.08797	0.8
163.07452	1.3
165.09088	9.4
171.08060	1.0
172.08733	1.1
174.06731	0.9
175.07504	1.0
177.09077	5.4
179.10654	1.1
186.10428	1.9
188.08292	3.0
189.09056	3.0
191.10677	2.9
201.08981	1.0
202.09885	3.2
203.10599	5.9
217.12193	10.3
278.38977	0.8
281.26703	0.8
295.27103	0.8
323.16287	2.2
340.16721	11.2
355.18954	15.6
398.67810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
67.05483	2.7
69.03420	1.0
69.07048	2.0
71.04984	13.4
71.44610	1.1
79.05485	3.3
80.98558	0.9
81.03382	2.3
81.07054	7.4
83.08611	1.8
85.02891	3.2
91.05467	3.3
93.07024	2.9
93.93091	0.8
95.08591	10.8
97.02835	1.8
97.06500	1.2
99.04443	100.0
99.08108	1.1
100.04782	1.0
105.07014	3.3
107.08580	2.4
109.02904	1.0
109.10110	1.4
112.07553	1.5
117.05479	10.4
119.08553	5.2
121.10131	1.6
123.08093	1.1
127.03890	1.7
133.10120	3.8
135.11671	2.1
137.13225	1.7
138.55360	0.8
145.04907	1.1
161.13242	10.6
175.07407	0.8
179.14291	24.2
197.15331	3.6
259.16870	1.1
260.18393	0.9
295.19037	1.4
492.12769	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42941	0.3
53.38955	0.3
54.41618	0.3
69.03426	0.5
69.27485	0.3
69.66972	0.3
69.67328	1.4
70.06582	0.5
85.02899	0.7
91.05486	0.4
98.22736	0.5
103.05499	0.4
103.81155	0.3
109.10159	0.3
137.05956	0.5
137.09576	0.4
146.17043	0.3
147.04465	0.5
163.03923	0.4
165.09061	0.7
199.09492	0.3
301.12512	1.2
313.12048	0.5
317.08450	0.4
331.12668	1.6
336.08453	0.4
353.29181	0.3
361.14645	7.9
433.16833	7.1
493.18826	100.0
494.19223	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04518	0.3
61.59796	0.3
66.69030	0.3
69.03447	0.5
69.29070	0.8
69.29456	0.6
70.06585	0.4
72.08146	1.7
81.07036	0.3
85.02900	1.6
86.03246	0.3
91.05439	0.4
93.07047	0.4
98.23465	0.6
109.10094	0.4
117.05471	1.3
118.05848	0.3
120.08089	0.5
127.03928	0.5
137.05952	0.4
145.04977	0.6
199.09454	0.4
301.12592	2.4
317.08554	0.4
361.14603	9.6
433.16751	10.5
493.18845	100.0
494.19092	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	493.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.8
61.02915	1.3
69.03429	2.0
69.82236	1.8
69.82601	1.6
72.69319	0.8
73.02915	1.6
79.05482	11.0
81.03397	1.0
85.02892	8.8
91.05489	3.0
95.04971	2.1
95.52980	0.8
95.81910	0.7
97.02888	2.8
98.23436	1.2
99.81217	0.8
106.06537	16.1
107.04939	19.6
109.06503	1.2
116.04962	5.7
124.07560	0.9
127.03896	2.2
134.06001	12.3
135.04370	8.5
145.04933	2.0
152.07042	100.0
153.05446	0.8
153.07294	1.6
194.08083	4.7
216.22809	0.8
236.06290	1.3
247.00214	0.8
296.08450	1.1
296.11322	6.4
314.12296	38.7
315.12637	2.6
333.42252	0.8
444.16055	0.9
476.17670	4.5
493.18918	1.3
513.53564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
54.21310	0.4
55.01846	0.9
55.05484	1.4
57.03413	1.0
61.02902	1.7
62.53280	0.5
67.05468	1.5
67.06236	0.4
69.03421	3.8
69.07056	0.7
69.31084	1.9
71.04982	2.1
73.02906	0.9
79.01831	0.4
79.05466	1.4
81.03423	2.0
81.07054	2.2
83.01335	1.1
83.08587	0.9
85.02898	9.0
87.04442	1.1
91.03923	0.8
91.05461	1.9
93.07041	0.6
94.04172	1.0
95.04937	1.3
95.08575	1.7
97.02876	3.3
99.04427	0.9
100.11236	2.7
103.05437	1.2
105.07011	0.8
107.04929	3.0
107.08544	0.5
109.02858	1.1
109.10139	4.6
119.04919	1.2
121.06494	0.5
121.10142	1.0
122.03612	1.6
123.04403	1.1
123.11677	2.9
126.09177	0.4
127.03903	1.8
129.06978	0.8
131.04889	2.3
133.06458	0.4
133.10184	0.5
135.04408	5.8
135.08138	0.5
135.11722	0.7
137.05969	20.6
141.06967	0.4
141.12738	0.8
145.04930	1.7
145.06381	0.5
147.04375	1.0
149.05962	1.7
151.07512	5.2
153.12729	1.0
158.29744	0.4
159.04356	0.5
159.08051	0.4
161.05984	1.0
163.03885	8.7
163.05264	0.4
163.07535	3.1
165.05518	1.0
165.06946	0.7
165.09081	3.6
167.08508	1.1
168.13751	1.5
174.06525	0.6
175.03886	0.4
175.07463	1.0
177.05449	3.1
177.09056	0.6
179.03362	1.2
182.15364	1.8
187.07384	0.6
189.09068	1.2
191.03366	100.0
192.03720	1.8
193.05013	0.7
193.06580	0.5
195.08057	1.7
196.37160	0.4
199.07335	0.4
201.09096	0.6
203.06960	2.4
205.04964	7.0
207.02832	5.0
207.06332	0.4
210.14859	1.1
217.04915	0.8
219.06474	2.2
221.06013	0.7
223.07555	0.8
225.09088	0.6
227.06969	0.6
227.10643	1.0
228.16010	0.5
231.06380	0.8
233.08138	3.6
243.06566	0.5
245.08055	1.8
253.08566	1.5
255.10136	2.0
257.08118	1.9
261.11212	11.3
267.21512	0.5
271.09625	0.8
285.11209	1.6
287.12756	3.3
295.20065	0.9
309.21741	0.8
313.14316	14.1
314.14676	0.9
319.59793	0.4
329.10165	1.2
331.15353	61.5
332.15695	2.9
351.15948	0.7
444.16739	0.4
493.11212	0.5
493.37439	3.4
494.22736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2062
Annotation	Palmatoside G
Peak:m/z	Relative Intensity
55.01850	0.5
55.05503	0.5
56.18231	0.3
59.72412	0.3
61.02908	0.6
67.05467	1.1
69.03410	0.9
69.65562	1.1
71.04987	2.0
79.01820	0.3
79.05461	1.3
81.03414	0.4
81.07034	1.3
83.01328	0.8
83.45363	0.3
85.02871	1.7
95.04921	0.3
95.08561	1.5
97.02869	0.8
98.23352	0.6
107.04921	2.1
107.08585	0.5
109.10129	3.9
115.05354	0.4
121.06424	0.4
121.10110	0.7
123.11665	3.0
127.03864	0.5
131.04884	0.5
135.04391	6.6
135.11687	0.6
137.02316	0.4
137.05933	0.8
140.15714	0.3
141.12756	0.4
147.04434	0.4
149.05914	0.5
153.12698	1.0
159.04359	0.6
163.03880	8.8
175.03920	0.7
177.05453	1.0
179.03355	0.7
191.03351	100.0
192.03748	2.0
199.07544	0.8
205.04900	6.8
207.02939	0.6
215.03322	0.3
215.51897	0.4
217.04929	0.6
219.06493	2.1
227.06909	0.7
231.06444	0.6
233.08043	2.8
243.06564	0.5
245.07953	1.6
257.07990	2.8
261.11188	11.4
262.11404	0.3
271.09729	0.9
280.74384	0.4
313.10632	0.8
313.14246	12.5
313.17709	0.7
314.14597	0.5
322.71329	0.4
331.15326	52.4
332.15643	2.8
388.26553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.207
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
54.53903	0.4
55.01862	0.7
57.03414	0.5
58.73909	0.4
61.02898	0.7
67.05473	1.6
69.03434	2.9
69.07061	0.7
71.04974	2.6
71.44708	0.4
71.45092	0.4
79.01846	0.5
79.05468	2.2
81.03379	1.3
81.07037	2.6
83.01317	0.6
85.02454	0.5
85.02894	4.3
91.05449	1.7
93.06997	1.8
95.04935	0.7
95.08569	1.6
97.02876	2.7
99.04405	0.5
103.05424	0.7
105.04478	0.5
105.06993	1.1
107.04939	3.0
107.08588	2.4
108.08889	1.2
109.02839	1.2
109.10130	4.7
115.03876	1.1
115.05412	0.6
117.39867	0.4
121.06485	3.5
121.10143	0.9
122.03642	0.5
123.04411	0.5
123.11684	4.2
127.03893	1.5
131.04881	1.1
131.08568	0.5
133.02798	1.8
134.48238	0.4
135.04395	7.3
135.08003	1.7
135.11676	0.7
136.08357	1.3
137.02322	0.4
137.05963	4.1
139.07423	0.7
141.06992	0.4
141.12700	0.9
145.08545	0.8
146.08893	0.6
147.04411	0.4
149.05954	0.6
151.07518	1.3
153.12715	0.9
161.05997	0.6
161.66833	0.5
163.03876	10.4
163.07520	2.2
164.07903	1.0
167.06865	0.6
171.07980	0.8
175.03877	0.6
177.05461	0.7
177.09102	1.1
178.02512	0.5
179.03383	0.6
183.13689	0.7
189.05548	0.6
191.03360	100.0
192.03722	2.5
193.04942	12.0
195.08356	0.5
199.07404	0.5
205.04948	6.0
217.04863	1.1
217.15965	0.5
219.06526	2.4
220.77319	0.4
227.07037	0.7
231.06395	0.5
233.08086	2.8
245.08029	2.0
247.09482	0.8
257.08038	1.9
261.11191	12.6
265.08575	0.5
267.12283	0.6
268.12543	1.9
271.09595	0.8
313.14340	13.7
314.12946	2.9
331.15347	56.3
332.15759	2.8
474.11313	0.5
493.23975	2.5
493.30621	1.8
494.31039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41476	0.4
51.09214	0.4
51.66983	0.3
55.01845	0.7
65.03915	0.6
67.05489	0.7
69.18221	1.1
69.18647	1.3
71.05004	0.5
73.32477	0.5
79.05475	2.2
81.07066	0.9
83.01382	0.5
85.02921	0.4
91.05465	6.8
93.07031	1.8
94.04168	0.4
95.04944	1.4
95.08589	0.7
97.02950	0.4
103.05444	1.4
105.07015	2.3
107.04919	2.5
107.08571	1.2
107.76770	0.5
108.05762	0.5
109.06486	1.1
109.10098	0.5
111.04363	0.4
115.05479	2.4
117.07004	3.8
119.04931	3.6
119.08571	1.0
120.05657	0.4
121.06478	1.8
122.03632	1.1
123.04418	0.9
123.08065	3.2
128.06201	1.6
129.06973	1.1
131.04900	1.2
132.05716	0.8
133.06471	1.9
134.07222	0.8
135.04346	1.1
135.08028	1.7
136.05167	1.0
137.05954	10.1
141.06943	1.0
143.04868	0.6
143.08542	1.1
144.40565	0.4
145.06467	1.4
146.03705	0.5
147.04356	0.9
147.08038	1.4
149.05963	1.1
149.09569	0.9
151.03883	0.6
151.07518	18.3
153.07004	0.4
155.04863	0.5
159.08131	0.5
160.05145	0.9
161.05959	3.1
162.06767	2.2
163.03922	1.2
163.07529	4.0
165.05580	0.7
165.06976	2.6
165.09113	1.7
167.07056	0.4
169.06485	1.0
171.08014	1.3
174.06705	1.0
175.07518	12.8
176.07941	0.5
177.09081	100.0
178.09418	2.4
179.08514	0.8
181.06427	0.8
182.07277	0.7
187.07501	2.0
189.09105	2.7
190.07759	0.6
191.03366	8.7
191.08511	3.1
191.10324	0.6
193.06442	1.6
194.07137	0.6
195.08192	0.8
195.10100	4.9
197.09486	0.4
199.07430	0.5
201.09042	1.5
203.07062	1.8
203.08649	0.5
203.10547	0.9
205.04854	0.8
205.06517	1.1
206.07222	0.5
207.08081	1.3
209.05914	0.7
209.09610	0.6
209.11626	0.9
210.06636	1.9
211.07556	0.8
213.09117	0.6
218.07167	0.8
219.08032	3.3
219.10132	1.6
220.08864	0.9
221.05939	3.4
221.11688	9.6
222.06674	1.0
222.12099	0.6
223.07495	0.8
224.08278	1.3
225.09093	2.2
227.07030	0.9
233.05949	0.7
234.06764	0.5
235.07489	1.7
236.08307	1.4
237.09055	2.2
247.07579	1.9
249.09076	0.5
250.06322	1.5
251.10664	3.5
252.07788	0.6
253.08511	2.3
255.06451	0.4
255.10156	0.9
261.11322	0.7
263.07092	0.5
263.10516	0.5
264.07727	1.3
265.08548	12.8
266.09042	0.7
267.10187	2.7
273.08920	0.6
275.85840	0.4
277.08725	0.5
278.09387	0.5
279.10107	5.9
280.10767	0.5
281.07971	1.5
285.11160	5.2
287.12833	2.1
289.08704	0.4
291.10123	0.7
295.09595	1.3
296.10315	1.5
297.11142	11.2
307.09592	0.5
311.12711	15.7
312.13123	0.8
313.11133	0.5
313.14227	2.5
317.13751	1.1
323.12677	1.6
325.14291	0.6
329.10141	0.9
331.15378	5.1
331.18985	0.7
335.09125	0.9
346.62039	0.5
351.15958	0.7
353.10226	1.6
355.15356	2.8
369.16943	2.0
371.72906	0.4
384.13571	0.4
421.25012	0.4
475.21268	0.9
493.14603	0.7
493.22250	3.1
493.29468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2301
Annotation	GW 9578
Peak:m/z	Relative Intensity
57.37379	1.0
62.98249	5.6
64.39076	1.1
65.16844	1.0
67.05473	1.3
79.83571	1.1
107.08556	1.0
116.89484	1.3
124.93759	31.4
132.80807	1.0
142.94847	1.4
156.96373	41.9
157.27350	1.0
191.94676	1.0
212.99025	3.9
220.78278	1.1
234.01564	1.1
269.57010	1.1
325.21182	1.7
461.20334	9.6
493.22971	100.0
493.42249	4.1
494.23260	4.7
507.83401	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	493.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73640	0.5
53.03937	0.6
54.49669	0.5
67.05486	1.6
69.03407	1.5
70.06570	0.9
71.04977	0.7
72.08112	0.7
79.05470	1.4
81.03410	0.7
81.07032	1.7
83.05004	0.6
84.20773	0.7
85.02884	1.2
85.16299	0.5
86.09691	1.8
91.05447	1.4
93.07043	0.7
95.04985	0.9
95.08574	1.4
97.02850	1.0
105.07001	1.0
107.08566	1.2
109.02841	1.2
109.10153	3.9
119.08572	1.0
120.08073	0.6
127.03878	0.7
136.07549	1.0
137.05969	0.8
137.09593	7.3
145.08524	0.8
151.07523	0.7
163.03841	1.1
165.09085	6.7
178.05005	0.7
178.19711	0.6
187.14301	0.7
187.60878	0.6
228.62944	0.6
245.08171	0.7
273.09369	9.6
305.18921	0.7
309.13327	2.2
327.14487	0.7
331.18735	1.0
413.55975	0.7
493.16785	12.4
493.23938	100.0
494.24188	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	493.2804
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.96530	0.2
55.05500	3.4
57.03427	0.3
57.05814	0.6
60.08110	0.3
64.18485	0.2
67.05485	0.3
70.57549	0.6
72.08140	45.7
73.08476	0.3
79.05473	0.3
81.07053	0.3
91.05468	0.5
93.07025	1.0
95.04951	0.3
99.06311	0.2
100.07599	0.4
103.05457	2.7
104.10720	0.6
109.10166	0.3
117.06958	0.3
120.08081	100.0
121.08415	1.3
124.99940	0.3
126.12760	0.3
166.05576	0.2
171.14914	6.0
174.12726	2.8
184.07320	0.4
199.14380	6.8
219.14877	15.7
220.15291	0.4
222.12764	0.7
229.13301	0.3
247.14371	18.5
248.14658	0.7
267.14868	8.1
267.17062	0.2
273.19550	1.0
295.14346	12.8
295.17725	0.6
296.14725	0.4
301.19089	3.0
321.19504	0.8
322.61810	0.3
325.60257	0.3
328.20081	0.4
331.24408	0.4
346.21179	6.2
349.19061	2.1
353.26669	0.6
394.21237	3.9
395.21213	0.3
448.25821	0.6
465.28323	0.7
493.29593	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	493.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.7
55.81917	4.8
57.03439	11.1
57.07065	73.4
65.81227	5.5
67.05492	25.7
69.07056	21.1
71.08630	51.6
77.66577	5.0
81.07058	18.2
83.08614	18.0
85.10166	29.9
86.98476	5.6
95.08593	40.6
97.10144	12.4
109.10160	20.3
111.11687	7.6
137.13239	6.7
163.61197	4.9
165.74384	5.3
167.15767	5.6
199.85974	5.3
239.23669	49.3
287.66586	6.2
313.27304	100.0
314.27554	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	493.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85487	3.5
54.06629	3.4
55.05494	8.4
57.03431	3.5
57.06814	4.5
57.07071	61.9
60.19662	3.1
61.02893	3.9
62.98239	3.5
67.05493	21.2
69.07043	14.7
70.57897	7.9
71.04997	3.6
71.08618	46.6
76.39121	3.2
79.05470	3.7
81.07049	26.6
83.08602	21.9
85.10152	23.5
95.08585	40.4
97.10118	6.3
100.99763	3.9
104.26825	3.7
109.10123	13.3
123.11698	4.6
124.93752	7.2
128.86047	3.9
138.92065	3.4
148.83508	3.8
156.96335	10.9
198.39424	3.5
216.26949	3.9
221.22482	4.0
236.47227	3.7
239.23685	41.3
246.65591	3.5
257.18326	4.0
313.27319	100.0
331.28586	6.3
493.22906	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	494.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
54.10544	1.1
55.01847	1.2
55.27877	1.1
57.03431	6.3
61.02922	8.6
64.12623	0.9
69.03422	16.1
69.15205	5.3
71.04982	1.8
73.02887	3.1
81.03400	6.2
85.02893	100.0
86.09709	0.8
87.04443	1.7
91.03947	6.4
97.02882	24.2
98.22684	1.9
99.04443	4.0
109.02874	9.4
115.03909	1.7
121.02852	28.0
127.03892	24.4
139.30072	1.1
139.57599	1.1
145.04935	42.9
153.05446	32.6
163.06007	14.6
163.07326	1.6
165.93953	1.1
350.73099	0.9
449.45081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13849	0.6
53.03931	2.2
55.01870	2.4
57.03425	5.9
61.02921	8.9
63.93651	0.6
64.05135	0.6
69.03419	13.7
69.26629	1.8
69.27036	2.1
71.04988	2.2
73.02914	4.1
81.03407	5.7
82.43503	0.7
85.02897	100.0
86.09689	1.3
87.04477	2.1
87.18130	0.7
91.03943	5.6
97.02883	24.7
98.03194	0.8
99.04453	3.4
105.07008	0.8
106.30364	0.7
108.08128	1.6
109.02879	6.8
109.65023	0.7
115.03935	1.0
120.08079	1.1
121.02852	24.3
122.03137	0.9
127.03909	23.0
136.07637	0.8
145.04944	41.7
152.07089	1.3
153.05449	31.6
154.05713	0.9
163.05988	14.6
163.07317	1.4
165.09116	4.0
271.05338	0.7
304.35168	0.8
494.19360	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	494.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15457	1.8
55.05502	3.2
57.03425	11.9
69.03422	2.0
71.04980	65.3
71.07717	3.6
73.02914	3.1
75.04464	5.3
81.03413	2.6
83.04971	8.9
85.02889	100.0
86.17779	2.2
91.58391	2.1
97.02882	6.4
105.06998	2.9
108.07569	2.3
111.04444	5.3
113.65128	1.8
120.08083	2.6
124.23405	1.9
126.45913	2.0
127.03919	5.1
129.05460	40.1
137.02330	26.2
137.05898	2.7
145.04953	2.2
147.06499	23.4
151.03909	2.1
165.08977	2.3
169.04936	22.0
178.87190	2.3
202.24084	1.8
205.63455	1.9
291.58075	2.1
293.91718	2.0
313.79388	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35799	2.1
55.05478	2.1
57.03424	10.6
69.03432	2.6
69.12051	3.1
70.06595	3.0
71.04981	74.3
73.02872	3.9
75.04471	6.1
83.04988	12.3
85.02891	100.0
87.04440	6.1
97.02885	4.1
104.07084	5.3
111.04425	7.1
123.04410	30.8
127.03924	6.2
129.05455	44.5
145.04947	3.1
146.22308	2.5
147.04390	9.5
147.06502	24.5
151.03885	13.2
152.07047	11.2
163.03806	3.2
164.09145	3.3
165.05377	4.5
169.04947	18.5
175.03964	4.4
187.07532	3.1
189.05475	5.7
193.04977	4.6
211.06018	3.0
235.05956	3.9
261.07632	4.3
279.08878	3.2
283.21490	2.6
332.11371	4.5
494.30777	5.5
495.11182	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	494.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.1
57.03421	1.1
60.04527	5.7
67.05497	11.1
69.03433	5.1
69.07068	0.9
69.83481	2.5
71.04989	1.6
79.05492	2.1
81.07053	4.7
85.02890	3.7
93.07040	2.6
95.04959	2.3
95.08593	6.8
95.59753	0.9
97.02882	8.3
107.08578	1.8
109.02900	1.0
109.06498	1.7
109.10140	27.0
110.10438	1.0
115.03909	4.3
119.08591	3.1
127.03893	1.2
131.99454	0.7
137.09598	82.7
138.09933	2.1
145.08650	2.3
160.03937	9.6
165.09097	100.0
166.09465	1.9
201.11156	0.8
211.16962	1.0
225.47014	0.9
225.62117	0.9
297.13315	29.8
315.14310	6.0
332.27954	6.8
464.32828	1.5
494.16626	1.2
494.24710	0.8
494.32928	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	494.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.8
55.05502	3.5
57.03437	9.8
59.69701	1.1
60.04521	2.3
61.05599	1.1
67.05502	1.8
69.03427	3.5
69.96167	2.8
70.06590	2.7
71.04988	77.4
72.08147	2.6
73.02895	3.6
74.06087	1.6
75.04478	4.1
79.05479	2.5
81.03378	1.4
81.07054	7.1
83.04983	11.7
84.04497	1.8
85.02898	100.0
86.09691	6.6
87.04453	1.8
91.05482	5.2
93.07062	2.9
94.04179	2.7
95.04964	2.1
95.08644	1.3
97.02882	5.1
98.22773	2.5
99.04464	2.0
106.09593	1.3
107.04972	2.3
109.06511	17.3
109.10175	1.5
111.04445	4.6
115.03923	1.6
119.04877	1.3
119.08607	1.5
120.08076	8.5
121.06484	4.5
121.08411	1.4
127.03920	3.6
128.69702	1.2
129.05469	32.0
135.11958	1.2
136.06169	2.1
137.05965	33.1
137.09563	1.5
144.06525	2.5
145.04980	2.9
146.08090	2.0
147.04472	1.6
147.06505	14.3
149.06000	1.8
154.06200	2.8
164.09201	3.2
165.09131	1.7
169.08580	62.4
180.08731	1.9
181.08589	11.5
195.06506	4.1
211.09641	1.8
235.09683	2.0
261.11249	7.0
279.12259	6.7
289.48798	1.4
381.21304	1.5
451.19522	3.1
494.28683	2.8
495.18588	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	494.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01833	1.3
55.05492	2.3
57.03411	1.1
67.05493	17.3
69.03432	4.8
69.07032	1.1
70.94489	0.9
71.04961	1.8
79.05489	2.2
81.03406	14.7
81.07047	9.5
83.04974	0.9
85.02889	2.8
91.05458	1.1
93.07043	3.3
95.04942	3.6
95.08594	6.1
97.02870	3.3
99.04427	2.7
105.07052	0.9
107.08574	2.9
109.02859	16.4
109.06490	2.2
109.10137	42.0
111.04406	0.9
115.03926	1.5
119.08562	2.1
121.10101	1.0
125.05936	2.0
127.03884	7.0
135.08018	1.6
137.09592	100.0
138.09932	1.4
147.07925	0.8
155.10635	7.1
163.07610	1.0
165.09088	89.9
166.09483	1.7
172.00600	0.8
177.09039	1.0
183.10118	7.6
201.11226	10.5
258.93216	0.7
279.06177	0.7
291.12231	6.6
309.13278	47.6
309.57919	0.8
310.13547	1.3
327.14285	15.3
331.57590	0.8
345.15390	2.4
345.50336	0.7
423.16498	0.8
456.44354	0.7
494.17593	1.1
494.23792	4.1
494.30865	1.0
495.18338	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	494.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
56.05024	0.5
58.06591	0.8
60.08151	6.9
61.33650	0.3
69.07056	0.6
71.07354	4.0
71.33962	0.3
81.07040	0.4
83.08591	0.6
86.09689	34.1
98.98457	3.3
104.10022	0.4
104.10723	8.7
124.99977	22.2
139.79803	0.3
143.08488	0.3
149.02330	0.7
184.07306	100.0
185.07603	0.8
193.04959	0.6
237.07510	0.6
311.25690	0.5
476.31244	1.7
494.16873	0.5
494.32339	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	494.3238
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05513	2.2
56.05025	2.2
57.07063	1.4
58.06599	1.4
60.08157	17.2
67.05495	1.5
69.07056	2.9
69.69431	0.8
70.06580	1.3
70.14453	1.7
70.84051	0.8
71.07360	6.8
71.13998	0.7
79.05495	1.1
81.07045	2.0
83.08618	1.1
83.45492	0.7
86.09696	45.5
95.08595	1.8
97.10215	0.8
98.98443	5.3
104.10732	100.0
106.78290	0.9
109.10133	1.1
123.11681	1.0
124.99990	28.7
127.20039	1.0
132.68437	0.9
137.05991	1.1
149.02342	2.9
162.06744	2.4
163.07114	1.4
177.70613	1.0
178.54482	0.8
184.07323	93.7
185.07724	1.4
193.04912	1.5
214.36407	0.9
223.10991	1.0
237.07570	1.9
258.10980	1.6
281.69434	0.9
284.29489	1.7
311.25943	2.2
318.40842	0.8
340.08890	1.5
352.09235	1.0
369.09766	1.3
370.10034	1.9
436.49341	0.9
476.31174	8.2
494.22745	1.9
494.32336	24.2
495.31949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.05027	0.5
58.06596	0.6
59.03171	0.4
59.63674	0.3
60.08157	6.3
62.06079	0.6
66.22414	0.4
67.05506	0.4
69.07064	0.9
69.77157	0.7
69.77492	0.6
71.07361	2.9
81.07021	0.5
84.51182	0.4
86.09694	31.2
87.09985	0.4
88.07622	0.5
91.05486	0.5
93.07037	0.4
95.08567	0.4
98.98457	3.9
104.10727	2.9
107.08530	0.5
124.99989	22.4
145.81967	0.4
149.02304	1.0
184.07318	100.0
185.07819	0.9
193.04938	1.1
237.07541	0.9
253.17825	0.4
284.29486	0.9
392.10480	0.4
476.31012	0.8
494.34189	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	494.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
56.47138	1.0
58.06597	2.8
60.08158	20.0
63.23726	0.9
67.05515	1.8
69.07062	3.0
70.06557	1.2
70.13155	1.5
70.13474	1.6
71.07381	6.6
81.07053	2.0
83.08631	2.7
86.09702	52.7
93.07018	1.1
95.08569	1.7
98.23517	1.0
98.98463	4.7
104.10737	93.1
104.65215	1.1
121.10072	1.3
124.99993	28.4
149.02319	1.6
184.07329	100.0
185.07613	1.1
193.04985	2.1
225.34528	1.1
258.11017	1.3
311.25778	1.1
322.22974	2.1
340.23743	1.9
378.19885	2.6
434.22568	2.8
476.31543	7.7
494.25244	1.4
494.32397	25.9
495.33682	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	494.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01873	1.6
55.05506	3.3
56.05027	4.5
57.03430	3.1
57.07061	1.3
60.04519	91.5
61.02919	3.5
65.03931	1.2
67.05501	8.7
68.05026	0.7
69.03420	9.2
69.07061	3.9
69.42861	0.6
70.06602	0.9
71.04993	2.4
72.04512	2.9
73.02919	2.3
74.06078	4.8
77.68611	0.7
79.05476	6.8
80.05023	1.2
81.03400	4.2
81.07047	11.5
82.06579	1.7
83.05001	0.9
83.08623	1.4
84.04497	1.6
85.02895	25.7
86.06054	2.5
87.04463	2.0
90.05549	1.2
91.03954	1.1
91.05471	4.9
93.07029	5.2
94.06551	1.6
95.04971	2.5
95.08585	9.0
96.08118	0.9
97.02882	6.9
97.10172	0.8
98.05994	1.0
98.23494	1.6
99.04456	2.2
101.02354	0.9
102.05556	2.0
104.07079	3.4
105.07042	2.2
107.04903	0.9
107.08585	4.0
109.02879	3.0
109.10128	4.7
111.08091	0.8
112.07569	0.9
116.07078	1.3
119.08556	2.6
121.10088	3.3
123.11718	2.0
127.03885	5.2
131.04976	0.9
131.08562	1.2
133.10135	1.8
135.11713	2.2
137.06017	2.0
137.09572	0.8
137.13170	0.8
143.08524	0.7
144.06528	0.7
145.04944	2.7
145.10156	1.1
147.11685	1.5
149.13286	1.5
151.07402	0.8
152.07033	1.1
159.11749	0.8
161.05972	1.0
165.05452	4.8
188.09160	1.3
192.03711	0.8
193.04985	1.5
193.08508	0.8
203.07144	1.1
206.10136	1.3
211.05992	2.3
224.11287	2.7
248.23798	0.8
260.23740	1.8
261.22134	0.9
271.05777	0.8
278.24716	6.3
296.25806	8.4
314.26819	13.3
332.27896	100.0
333.28195	4.0
356.27786	0.9
374.28867	2.7
440.29941	1.6
441.62387	0.7
458.31165	1.9
476.32303	3.9
494.16824	2.3
494.33176	47.1
495.33475	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83199	0.7
60.49627	0.8
93.87038	0.8
93.94299	0.7
105.18586	0.8
213.21976	0.8
225.46257	0.8
369.83990	0.8
370.73843	0.8
495.11041	100.0
496.11383	5.3
523.46429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59486	0.6
53.92924	0.6
60.41966	0.6
66.65244	0.6
70.92731	0.8
98.97569	1.8
114.70020	0.6
137.77280	0.5
169.54799	0.6
177.00723	0.8
189.00723	0.9
219.01819	1.4
237.02789	2.2
255.01807	0.6
315.03998	1.1
333.04822	1.3
375.05997	0.7
426.37479	0.6
495.11044	100.0
496.11499	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	495.1283
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
67.01823	0.4
68.99770	0.6
70.50760	0.8
71.15652	0.4
84.22146	0.4
91.05445	1.8
95.04953	0.9
95.42214	0.3
102.04660	0.5
103.05450	3.4
105.07030	0.7
107.04929	0.7
115.05441	0.6
117.03352	0.6
117.06941	0.6
118.04122	1.6
121.06437	1.6
123.04422	0.7
130.04100	1.4
131.04922	4.2
132.05688	2.2
133.02840	0.6
133.06462	0.6
135.04395	0.9
140.04677	2.4
146.03577	2.3
147.04341	0.8
148.05157	0.9
149.05946	1.5
151.03981	0.7
153.00635	0.5
153.01810	6.8
153.05553	0.5
153.27550	0.4
155.07011	0.5
160.05150	1.4
161.05872	0.9
162.03082	1.2
163.03812	0.6
163.07513	0.6
165.05392	0.5
166.06348	0.6
167.07039	1.8
171.02812	0.4
173.05952	0.5
176.04614	2.0
177.05414	3.5
178.06259	3.6
180.07765	0.5
181.03438	0.4
191.07014	4.4
192.07751	1.8
193.05072	0.6
193.12001	0.5
201.05391	0.5
203.03337	5.8
213.05511	0.9
229.04910	7.1
241.04980	1.1
242.05717	11.8
253.04961	2.4
257.04413	58.5
258.05167	17.1
259.05859	0.7
269.04343	2.5
270.05200	5.2
271.05914	3.2
283.05859	0.5
285.03900	6.4
286.04663	28.9
287.05450	21.9
288.05902	0.7
297.03830	4.5
299.05563	2.3
300.06259	1.5
301.07016	0.5
311.05380	0.7
323.05560	0.7
327.05014	3.2
328.78568	0.4
333.20276	0.5
341.06516	2.3
345.07822	0.5
359.09164	0.6
373.06924	0.7
388.09329	0.5
416.09229	1.0
417.09811	0.6
419.07538	1.2
420.51331	0.5
444.08691	0.4
445.09183	0.7
447.07053	2.2
462.09415	0.7
465.11899	3.5
477.11765	15.6
478.12076	0.9
495.12769	100.0
496.13193	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	495.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92723	0.2
60.84489	0.2
69.87725	0.3
114.64851	0.3
142.80177	0.3
146.03345	0.2
169.04646	0.3
185.04311	0.4
186.06534	0.4
187.05743	0.4
222.60713	0.3
229.06992	0.4
243.08406	0.4
259.05740	0.4
331.09579	1.7
349.12473	3.3
437.13934	0.3
454.13846	0.3
495.18289	100.0
496.18652	4.9
499.76389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23597	0.3
50.78610	0.3
51.24403	0.3
57.66212	0.4
69.72973	0.5
69.73299	0.7
70.06584	0.5
72.08156	0.4
75.06287	0.3
81.04522	0.4
84.04483	0.4
84.08154	0.3
85.02898	0.8
86.09687	0.6
108.77677	0.4
109.20618	0.3
134.06039	0.4
138.17688	0.4
147.31230	0.4
166.26993	0.4
168.04503	0.4
171.07539	0.3
191.73741	0.3
197.06824	0.3
199.69681	0.3
201.10962	2.8
231.75450	0.4
263.06918	0.4
317.08896	0.5
328.12506	0.4
363.16214	15.0
364.16394	0.6
408.63678	0.3
457.46365	0.4
495.20468	100.0
496.14337	0.6
496.20883	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	495.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01860	0.6
65.03934	0.5
67.01856	0.6
67.05489	1.5
69.03414	1.5
69.07053	0.6
69.20694	2.6
73.49863	0.4
75.54002	0.4
79.05476	1.4
81.03387	1.3
81.07048	4.7
85.02899	3.7
88.31052	0.4
91.05469	1.3
93.07037	1.0
94.04167	0.8
95.04971	0.6
95.08592	0.8
97.02870	1.6
97.06578	0.4
98.23463	0.8
99.04427	0.4
105.07016	0.7
107.04946	1.9
107.08557	0.7
109.02860	0.7
109.06519	1.1
109.10143	3.7
121.02821	0.5
121.10130	1.3
122.03638	1.2
123.08054	0.5
123.11690	0.9
127.03902	0.7
135.11618	0.9
137.05948	3.5
138.06323	0.4
147.04352	0.5
149.05907	0.5
150.03108	1.8
155.23396	0.5
163.07521	0.4
165.05453	100.0
166.05777	2.3
167.07024	2.1
177.05460	0.9
179.07005	1.2
190.06158	0.5
191.07019	1.3
193.04945	21.7
205.05052	0.7
205.08586	7.1
207.06502	0.5
207.10118	1.7
211.05984	32.0
212.06288	0.5
217.08401	0.4
219.10077	1.3
231.10173	2.3
235.06010	0.7
249.07527	0.7
251.09113	11.2
251.11581	0.9
259.09567	0.8
277.10675	1.2
287.16354	7.4
288.16635	0.6
289.17828	0.6
299.16257	0.7
315.15753	1.1
330.71991	0.5
333.16788	1.5
349.23633	0.4
375.38318	0.5
408.63107	0.4
495.18094	1.2
495.25430	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.9
56.73268	1.6
56.96286	2.8
56.96560	53.2
66.82909	1.7
67.05495	3.8
71.06786	2.5
71.95248	2.1
72.96029	2.8
73.83546	1.7
79.05467	2.1
81.07059	2.9
91.05463	2.7
93.07027	2.9
95.04928	2.5
95.08604	2.4
105.07025	3.0
107.08553	2.0
109.10123	2.9
119.08548	1.7
121.06440	1.9
121.10143	3.0
125.09573	1.6
137.02684	2.5
137.31737	1.6
147.07979	1.5
149.09541	1.6
151.64215	1.7
153.65517	1.7
155.03741	1.6
157.01671	1.7
159.03273	3.7
171.03346	3.5
176.14383	1.7
183.06985	1.6
199.02728	2.0
203.05994	2.2
210.19978	1.7
217.03758	1.9
217.07520	1.6
223.10013	5.5
241.11070	100.0
249.07948	1.9
250.23903	1.6
255.08766	1.8
259.12134	99.4
260.12482	4.0
264.12656	5.6
267.08942	18.7
282.13794	3.3
285.10056	90.1
286.10449	3.0
290.35406	1.9
303.11093	55.1
308.11664	5.7
326.12738	2.6
414.16635	1.8
477.21118	3.2
495.22488	57.6
496.23022	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15254	1.1
55.05492	1.7
56.84505	1.1
57.03417	1.4
67.05489	1.7
69.03381	1.1
69.07081	1.1
71.16106	1.1
73.28207	1.0
79.05497	2.4
81.03376	1.7
81.07040	2.6
83.04966	1.5
91.05439	2.6
93.07034	2.7
95.08619	1.8
105.07034	2.5
107.08575	1.5
138.53241	1.2
139.24341	1.1
145.10040	1.3
201.12752	1.2
221.23723	1.2
274.14227	1.0
333.20340	26.0
334.20599	1.4
495.25546	100.0
496.26010	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	495.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.8
57.03428	2.7
61.02913	3.1
61.36666	1.4
67.05482	4.8
69.03419	2.8
69.07031	1.7
69.73292	3.1
69.73669	2.9
72.17366	1.5
73.02888	1.6
75.67173	1.5
77.90872	1.5
79.05466	5.1
80.55300	1.3
81.03399	2.5
81.07042	9.0
85.02887	3.5
89.79292	1.4
91.05467	5.1
92.95251	1.6
93.07037	3.9
95.04939	1.6
95.08599	2.4
97.02868	3.3
105.07028	4.5
107.08577	4.5
109.10129	1.8
117.07030	2.3
119.08553	3.8
121.10126	2.5
129.07007	2.6
131.08546	3.0
133.10107	2.3
145.04927	1.4
145.10091	2.6
147.11708	1.4
157.10100	2.1
159.11661	1.8
161.13235	1.8
171.11618	1.8
173.13261	1.6
185.04141	2.5
209.40800	1.4
217.91122	1.4
259.20438	1.9
301.21423	1.7
333.20306	91.9
333.23868	3.7
334.20691	4.2
366.18604	1.5
375.92612	1.5
441.26010	2.3
459.27026	3.6
477.28281	1.9
495.25412	100.0
496.25885	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	495.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01863	13.2
55.05498	18.8
57.03429	32.3
58.53900	3.0
61.02916	74.4
64.04429	3.1
65.03914	5.3
67.05162	4.9
67.05499	78.1
68.85986	3.3
69.03419	35.8
69.07053	18.1
69.10556	6.1
69.10961	15.9
70.11391	2.9
71.01337	6.3
71.04974	7.0
73.02908	36.9
79.05042	4.9
79.05480	69.7
81.03397	28.9
81.07043	71.0
83.04961	12.5
83.08595	7.4
85.02891	73.0
85.06490	5.9
87.04461	4.6
91.03950	50.3
91.05466	100.0
91.43871	2.7
93.07026	64.6
95.04947	13.4
95.08587	46.9
97.02876	58.8
97.06520	10.8
98.23498	6.4
99.04425	13.0
101.02335	14.1
102.09164	4.2
103.03924	9.1
105.04509	4.1
105.07010	67.2
107.08588	33.1
109.02855	10.7
109.06489	5.7
109.10139	15.7
111.04472	4.6
111.08096	4.7
115.03927	4.6
117.07009	23.9
119.08567	45.8
121.06477	3.6
121.10136	36.1
123.08059	4.6
123.11663	3.8
127.03896	23.4
129.05431	8.7
129.06978	18.4
131.08525	29.9
133.10136	29.3
135.07948	6.8
135.11691	19.0
137.09586	5.8
143.08504	12.4
145.04922	10.2
145.10123	18.4
147.08054	4.9
147.11630	20.5
149.02359	4.7
149.09583	6.4
149.13248	9.0
155.08522	4.7
156.56535	3.7
157.10092	10.5
159.11670	19.2
161.09686	4.0
161.13239	32.8
163.11200	5.2
163.14738	4.9
169.10138	6.2
171.11641	15.9
173.09616	3.5
173.13251	13.5
175.14818	11.0
183.06529	3.4
183.11595	4.0
185.13220	7.5
189.12712	4.8
191.33742	3.2
193.04993	4.9
197.13162	3.7
198.29832	3.5
210.18269	3.3
213.16377	5.1
238.07991	3.8
241.19453	12.0
259.20798	7.4
315.15909	4.4
329.82205	3.1
333.24258	35.8
407.08490	3.4
495.29053	11.8
495.34885	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	496.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
54.11901	2.5
55.01858	7.9
57.03430	18.6
61.02921	5.6
69.03413	26.8
70.08370	7.8
71.01353	2.9
73.02901	36.2
73.03285	3.0
79.05482	14.9
81.03413	4.6
81.07031	26.7
85.02888	44.1
91.05479	8.5
93.07030	37.4
95.04946	3.6
95.08583	13.8
97.02872	37.8
98.22791	3.6
99.04465	3.0
105.07059	8.8
106.92979	3.0
106.93723	2.5
107.08574	10.9
109.02812	2.9
109.06471	3.0
111.04392	4.3
115.03917	15.1
121.06520	4.0
121.10125	100.0
123.11685	31.4
124.59190	2.9
125.05959	7.5
127.03896	13.8
131.08528	4.2
133.04980	19.6
133.73595	3.0
135.11674	5.1
137.05951	4.6
139.11151	12.1
145.04938	10.6
149.05977	3.6
149.09615	22.9
162.05516	4.7
163.06068	3.4
167.10660	65.2
185.11702	11.3
193.61652	2.8
203.03392	2.8
205.04865	3.2
241.07129	3.5
263.12778	3.9
269.71939	2.7
281.13684	4.8
292.94580	3.7
299.14893	31.4
329.15820	2.9
408.77649	3.1
459.34360	2.7
474.16095	3.2
496.15689	4.5
496.22415	5.9
497.20328	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.7
55.05492	2.3
57.03422	12.9
60.04509	2.4
61.02904	8.1
67.05482	7.3
69.03417	21.2
69.07062	4.2
69.54073	2.4
69.54420	8.2
71.01368	2.6
73.02531	3.1
73.02908	34.0
79.05482	12.8
81.03413	3.7
81.07043	25.5
85.02892	43.2
85.88081	1.6
87.04450	5.1
91.03916	1.8
91.05474	7.4
93.07040	32.2
95.04937	4.3
95.08593	16.4
97.02885	34.6
97.06563	3.7
99.04438	2.4
103.03931	2.4
105.07024	8.3
107.08582	11.3
109.02849	3.6
109.06480	7.3
109.10138	3.6
111.04423	2.5
111.08085	2.4
115.03929	15.2
117.16995	2.1
121.06526	9.4
121.10126	100.0
123.08056	2.1
123.10860	3.1
123.11684	30.8
125.05972	7.1
127.03900	12.9
131.08548	7.3
133.04935	14.7
137.05913	2.8
137.09599	1.7
139.11168	14.4
140.10696	2.2
145.04964	13.0
149.09610	24.7
149.13309	2.1
162.05472	4.7
163.03937	2.0
163.05946	5.1
167.10655	64.9
184.08543	1.8
185.11717	8.1
208.86522	1.9
209.63136	1.9
241.06940	2.6
245.41888	1.7
281.13638	2.8
299.14825	19.3
329.15936	4.9
419.55988	2.3
496.17126	6.0
497.20068	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	496.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.3
55.05504	1.3
55.40519	0.7
57.03431	1.8
58.77975	0.7
59.04999	1.5
61.02932	1.1
69.03418	3.8
69.07069	1.9
70.06572	1.0
71.04981	11.6
73.02908	7.6
73.06536	1.9
79.05482	3.0
81.03436	1.4
81.07040	11.7
83.04940	0.8
85.02893	13.9
91.05474	2.2
93.07033	8.0
95.04967	1.7
95.08591	1.8
97.02870	7.8
107.08580	6.8
109.10168	1.6
115.03939	4.6
127.03845	3.9
129.05435	1.3
133.04985	4.7
135.11671	15.4
137.05936	0.9
145.04893	4.5
153.12723	100.0
154.13057	2.7
163.03914	1.2
163.06010	2.0
241.07108	0.9
259.08218	2.1
280.97662	0.8
295.09958	1.0
496.27194	9.7
497.19980	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.8
57.03431	10.0
59.04993	5.0
59.69081	3.0
69.03450	3.6
69.07062	8.9
69.15369	12.8
70.06573	3.5
71.04984	67.5
73.02920	4.6
74.61112	2.4
75.04464	7.2
79.05489	8.2
81.03409	5.0
81.07047	11.0
83.04981	12.1
85.02895	100.0
86.09712	3.4
87.04491	2.4
89.16451	2.6
91.05465	7.0
93.07034	17.3
95.08617	8.9
97.02885	8.4
98.22660	5.6
99.00801	2.6
99.04457	3.1
103.05471	3.2
105.07029	3.7
106.57661	2.3
107.04916	4.4
107.08594	11.2
109.02844	3.4
109.10170	5.7
111.04420	8.2
111.08052	2.9
119.08564	5.7
121.06538	3.2
121.10133	6.3
123.04383	2.5
123.07984	2.8
127.03914	8.8
129.05460	38.2
131.04955	3.2
131.08591	4.4
133.10129	4.2
135.11674	18.1
137.05931	3.4
137.80844	2.5
140.55472	2.5
145.04919	4.6
147.06490	19.7
149.09547	3.3
151.11174	6.3
153.12723	54.4
162.05487	2.6
163.03947	4.2
165.12726	5.8
167.10703	6.1
173.09669	3.2
177.12683	2.9
217.15875	3.5
299.14871	15.6
299.18567	8.2
309.11835	8.8
315.17896	6.7
496.26575	7.9
497.16776	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	496.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.3
55.05504	1.3
55.40519	0.7
57.03431	1.8
58.77975	0.7
59.04999	1.5
61.02932	1.1
69.03418	3.8
69.07069	1.9
70.06572	1.0
71.04981	11.6
73.02908	7.6
73.06536	1.9
79.05482	3.0
81.03436	1.4
81.07040	11.7
83.04940	0.8
85.02893	13.9
91.05474	2.2
93.07033	8.0
95.04967	1.7
95.08591	1.8
97.02870	7.8
107.08580	6.8
109.10168	1.6
115.03939	4.6
127.03845	3.9
129.05435	1.3
133.04985	4.7
135.11671	15.4
137.05936	0.9
145.04893	4.5
153.12723	100.0
154.13057	2.7
163.03914	1.2
163.06010	2.0
241.07108	0.9
259.08218	2.1
280.97662	0.8
295.09958	1.0
496.27194	9.7
497.19980	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3392
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05017	1.1
57.03403	0.9
57.07070	3.4
57.28915	0.6
58.06590	1.6
60.07869	0.9
60.08157	17.1
67.05490	0.7
69.07169	3.4
71.07361	7.2
71.08617	1.5
72.81316	0.5
76.24146	0.6
81.96727	0.6
85.10181	0.9
86.09696	52.4
87.10014	0.7
95.08612	1.3
98.98452	5.5
104.10729	100.0
105.11039	0.8
117.57484	0.5
124.99989	30.5
156.45702	0.6
158.64563	0.6
163.01587	0.9
184.07318	95.8
185.07701	1.2
200.22945	0.6
211.75150	0.7
258.11041	1.3
265.51938	0.6
267.24985	0.6
282.76328	0.6
313.27417	1.0
478.32877	8.0
479.33069	1.1
496.33899	24.6
497.33984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16541	0.1
55.05500	0.1
56.05028	0.6
57.03431	0.2
57.07066	0.8
58.06617	0.4
59.07387	0.1
60.08153	6.3
67.05486	0.2
69.07062	0.2
69.35208	0.3
69.35616	0.3
70.06553	0.2
71.07360	2.9
71.08627	0.3
81.07027	0.1
85.10178	0.3
86.09689	30.2
87.10053	0.3
95.08602	0.3
98.98447	3.1
104.10719	3.1
109.10165	0.1
124.99981	21.6
130.17305	0.1
141.79866	0.1
143.00984	0.2
171.10107	0.1
183.77333	0.1
184.07307	100.0
185.07687	0.9
313.27335	0.5
385.80524	0.1
478.32666	1.1
496.33936	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.0
56.96573	4.6
57.07055	1.6
60.08172	1.5
67.05497	3.5
68.35018	1.5
69.03413	4.5
69.07053	2.5
69.78790	5.1
70.06586	7.0
70.38288	1.9
71.04987	3.3
79.05487	2.2
81.03407	1.7
81.07044	6.4
82.06591	3.0
83.06097	3.7
83.98381	1.4
84.04501	5.8
84.96021	2.6
85.02894	4.5
86.09715	3.2
89.03878	2.3
93.07030	3.8
93.29426	1.7
95.04955	3.6
95.08598	4.7
97.02869	2.2
97.10169	2.3
98.23379	3.1
98.97573	8.3
102.05582	2.1
103.18707	1.7
105.07009	2.7
107.04976	2.1
107.08595	3.3
107.70686	1.4
109.10155	3.5
110.07156	1.7
115.03954	2.0
116.98607	2.2
117.03349	1.9
119.08604	1.6
121.10110	2.9
124.99132	1.6
128.07056	4.0
128.98596	1.9
129.06599	3.3
130.05002	2.7
133.10103	1.9
135.04373	2.7
135.54193	1.4
137.05963	3.9
137.08475	1.7
143.00146	2.5
145.02817	1.7
145.08598	4.4
147.04379	2.4
158.99706	3.2
159.11670	1.5
163.03880	16.1
164.07143	2.7
170.99632	2.3
177.00693	5.3
179.03459	1.7
185.01132	1.5
185.15344	2.2
201.00772	2.0
213.07332	2.8
219.01746	4.6
226.36340	1.6
237.02907	2.4
333.05005	1.8
351.06003	4.4
383.10101	1.8
437.14130	1.8
497.13913	100.0
498.14972	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	497.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93770	0.2
76.02220	0.5
91.05443	0.2
107.08542	0.3
115.53751	0.3
125.02113	1.4
126.02883	0.5
137.05965	0.9
141.05249	0.3
151.00027	0.3
153.05200	1.1
162.02895	1.8
163.03870	0.4
168.07556	0.3
169.04712	2.7
177.05453	0.6
179.04843	0.5
189.09189	0.3
205.04951	0.3
213.07295	3.9
255.08299	1.5
279.68118	0.3
297.09460	0.4
309.09442	0.2
313.12613	0.3
325.08871	0.3
341.12015	1.7
357.11542	3.1
364.86655	0.2
367.09897	0.8
410.10486	0.2
437.14246	3.1
470.91660	0.3
497.16174	100.0
498.16519	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01858	0.5
55.05497	1.2
57.03448	0.9
61.02916	1.1
65.03931	1.1
67.05497	3.1
69.03419	3.9
69.07056	54.7
70.06584	0.5
70.07402	0.8
71.04980	0.8
71.44415	0.4
73.02902	0.6
79.05477	1.4
80.04996	0.4
81.03410	2.0
81.07042	4.6
82.06558	0.6
84.08108	0.4
85.02891	7.0
87.04493	0.7
91.05460	1.1
92.04949	0.8
93.05771	0.8
93.07033	1.1
94.06561	2.2
95.04942	1.5
95.08596	0.8
96.08122	0.5
97.02884	3.0
97.05885	0.5
97.06512	10.2
98.09654	0.6
99.04440	0.6
99.08089	0.6
100.11259	0.6
107.08593	0.8
108.04482	0.7
108.08118	0.5
109.02852	0.9
109.06514	1.3
109.10179	0.6
111.04425	0.7
115.03944	0.8
116.10710	0.5
119.03667	0.5
120.08091	0.5
121.05211	0.4
121.06548	0.5
121.10097	0.7
122.06008	4.9
124.07568	1.3
125.05975	0.8
126.09163	0.4
127.03896	1.6
133.10132	0.6
134.06009	0.7
135.11613	0.5
137.05919	2.0
138.05473	4.0
140.07019	5.7
142.08636	0.5
143.07298	0.6
143.08452	0.5
144.08054	1.1
145.04927	0.9
145.08835	2.1
145.10046	1.0
146.09613	1.8
147.06764	1.0
148.03932	0.9
150.05476	63.1
151.05850	1.5
152.03394	0.8
152.07050	1.0
157.08842	1.5
159.10399	1.0
160.07553	0.6
160.11142	0.6
161.08353	2.9
162.09074	2.4
164.03426	0.6
165.04187	1.1
166.04965	16.3
168.06493	1.2
170.09575	0.5
172.07561	0.6
172.11215	3.1
173.06903	0.5
173.08310	1.0
174.09131	1.4
174.12790	4.3
176.03369	4.1
176.97141	0.4
177.04202	0.6
178.05000	1.6
182.04480	0.8
182.09650	0.5
182.15385	0.9
185.08372	1.0
186.07582	1.0
188.07008	0.5
188.10692	1.6
190.08617	0.7
190.12239	5.8
191.10774	0.4
192.02922	0.7
192.06467	2.2
194.04475	2.1
198.09216	0.6
198.14810	0.5
199.06218	0.8
200.07101	0.6
200.10709	5.2
202.12210	5.3
204.06458	0.5
206.07890	0.5
206.11748	0.7
210.14928	0.6
213.10196	1.3
216.10110	3.5
218.08275	1.1
218.11720	19.4
219.12056	0.8
226.08707	0.5
226.14386	0.5
228.10176	11.3
229.13303	1.2
229.15692	0.4
230.11685	0.7
234.11295	2.2
242.10512	1.3
243.11229	1.2
244.06001	0.7
244.09663	1.5
245.12801	1.0
246.11198	17.2
246.54909	0.4
247.11526	0.6
253.09653	0.6
255.11328	0.7
256.09665	1.1
257.09216	0.8
261.08676	0.6
261.12216	0.9
269.09299	0.8
271.10712	4.3
272.09109	3.6
273.12250	2.4
274.10703	2.8
287.10211	7.1
288.08130	0.5
289.11728	7.4
290.10129	1.7
291.13181	0.6
299.10208	5.5
317.11264	30.8
318.09641	1.5
335.12308	100.0
336.12701	4.1
337.21274	0.6
369.65121	0.5
382.23050	0.6
411.19626	1.5
423.19376	0.5
453.20746	3.9
497.20013	12.0
497.26981	1.5
509.10022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76350	2.1
55.05506	2.8
60.04530	2.4
63.56290	2.2
67.05496	2.9
69.03414	3.4
70.64063	4.5
71.04987	8.5
73.74706	2.1
76.40958	2.2
79.05491	6.2
79.12511	1.9
81.03404	2.7
81.07038	2.6
82.59989	1.9
85.02914	3.7
85.06524	3.4
89.03905	3.0
91.05440	4.6
93.38828	2.2
94.04187	4.8
95.04942	3.3
95.08598	2.2
97.02885	2.4
100.11285	3.6
103.05460	2.8
107.04969	6.4
107.28463	2.3
110.31218	2.5
111.04440	2.8
117.03397	2.4
122.03651	7.5
127.07548	4.9
131.04900	2.5
135.04399	6.3
137.05960	100.0
139.03752	3.3
145.02782	3.5
145.08556	17.5
149.05968	31.7
151.03912	8.8
151.07591	4.1
152.06166	3.6
153.05490	3.9
155.07101	2.5
155.08752	2.3
161.06015	7.1
163.03893	24.2
163.07520	2.1
165.06989	4.9
169.06473	2.5
177.05441	42.1
180.05753	4.5
183.08064	2.8
197.05977	4.3
201.05380	3.8
202.06076	8.5
208.05093	4.1
211.07547	8.7
212.08369	4.9
221.06053	3.7
223.07574	5.8
225.05475	7.3
225.09027	2.9
227.06926	2.5
234.06789	3.7
236.04724	4.1
237.09120	3.6
239.07115	3.9
240.07730	10.5
241.08348	2.9
249.09023	4.4
251.07112	7.1
253.08607	2.7
255.10205	2.6
259.09769	2.5
262.06107	3.5
265.08499	4.0
268.07324	7.6
271.09363	2.2
277.08612	9.7
279.06497	4.8
283.09650	8.8
285.11310	2.9
297.11340	3.8
299.09146	8.3
302.07617	2.5
309.11069	3.3
311.09058	27.3
313.10730	5.8
315.08762	7.4
325.10516	4.6
329.10339	11.7
373.13928	3.3
377.78119	2.7
401.13840	8.3
421.16336	6.7
431.14529	2.6
433.16425	44.1
434.16757	2.8
449.15817	6.1
451.17203	3.1
459.93201	2.4
461.15704	5.0
479.16553	5.3
496.89908	2.2
497.13004	12.1
497.27765	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	497.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84374	0.3
66.90117	0.3
69.26305	1.9
77.26176	0.3
91.05489	0.3
107.04940	0.7
107.76571	0.4
136.05141	0.7
142.24139	0.4
151.07512	11.1
152.07849	0.4
164.92007	0.5
165.09090	0.6
176.29204	0.3
203.10742	0.8
217.12080	0.5
319.11771	0.4
332.35339	0.3
340.16855	0.5
355.18826	0.5
395.13367	0.3
395.18246	1.4
425.53284	0.4
437.19266	5.2
438.19678	0.6
497.21359	100.0
498.21713	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24739	0.5
54.13408	0.5
61.45530	0.5
69.03435	0.9
69.20370	3.1
86.49588	0.5
89.90027	0.6
91.05469	1.0
92.65202	0.5
97.02894	1.5
98.22564	0.9
115.03904	0.9
120.97082	0.7
125.12895	0.5
135.76956	0.5
139.03676	2.3
141.98096	0.6
161.13203	0.7
185.04207	1.2
192.00529	0.5
219.71072	0.6
223.35684	0.5
300.27026	0.6
307.94684	0.6
330.97845	0.5
335.18234	100.0
336.18539	4.1
497.22806	76.2
498.23184	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	497.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38078	0.7
67.68915	0.8
70.06573	1.9
70.71129	1.4
81.07027	0.7
85.02888	1.5
86.09709	1.1
91.05500	1.2
93.41162	0.7
95.04993	1.0
97.02858	1.2
110.07138	1.3
120.08102	1.5
121.02813	1.0
127.03927	1.9
130.06622	0.8
136.07611	1.2
137.05948	2.7
149.06082	1.3
155.03400	0.8
156.07794	0.9
167.07144	0.8
177.05501	0.8
177.53780	0.7
365.24838	1.0
378.98361	0.9
497.16751	8.2
497.23557	100.0
498.24060	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	497.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48624	0.9
53.73834	1.0
66.70651	0.9
70.06548	1.0
70.31660	2.2
73.28996	0.9
81.07066	1.5
86.31703	0.9
107.08609	1.4
120.68681	1.0
131.08481	0.9
132.18588	1.1
136.65245	1.1
185.04230	2.8
335.21866	100.0
336.22324	3.4
365.28311	1.0
365.69373	1.0
482.39386	1.0
497.27237	76.9
498.27420	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25552	1.0
53.07523	1.1
58.07856	1.3
58.35291	1.1
70.84295	1.6
77.90840	1.0
209.95171	1.0
224.61447	1.0
237.00882	1.0
297.07339	1.0
306.50562	1.1
335.21863	100.0
336.22180	3.5
456.39786	1.0
492.26288	1.3
497.27460	83.2
498.27362	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	497.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11381	4.1
52.17612	3.7
53.03931	12.2
55.01856	10.9
55.05507	32.4
57.03431	30.9
57.07045	4.2
61.02914	37.0
65.03910	6.3
67.05494	96.3
69.03416	55.0
69.07055	22.1
71.01337	4.5
71.04958	7.6
73.02905	22.6
75.66412	3.4
79.05474	70.2
81.03410	27.8
81.07040	100.0
83.04967	10.7
83.08605	13.2
85.02889	42.3
87.04505	4.6
91.03937	28.8
91.05464	63.3
93.07029	74.4
95.04951	13.6
95.08590	74.6
97.02877	37.9
97.06518	7.6
97.10141	5.6
99.04416	11.2
101.02362	9.3
103.03920	9.6
103.65218	3.9
104.20116	4.4
104.89808	3.4
105.04522	5.3
105.07008	46.5
107.04924	6.8
107.08576	44.3
107.96062	3.6
109.02843	7.4
109.06494	4.9
109.10126	36.8
110.10487	4.4
111.04419	6.6
115.03921	7.9
115.05399	6.5
117.06986	23.5
119.08543	40.4
121.06437	6.8
121.10107	37.5
123.08057	10.0
123.11691	13.0
127.03923	14.1
129.05475	5.9
129.06985	11.0
131.08543	30.5
133.10089	28.0
135.08054	6.7
135.11659	24.1
141.06979	5.8
143.08517	11.5
145.04927	5.8
145.10112	20.3
147.08049	4.2
147.11649	18.1
149.09631	6.4
149.13226	13.0
155.08543	6.7
157.06415	5.1
157.10098	8.8
159.11644	21.9
161.09576	8.4
161.13217	11.2
163.14766	4.8
169.10118	6.1
171.11620	8.9
173.13278	14.9
175.11122	4.7
175.14853	8.0
181.57098	4.2
183.11693	3.8
185.13231	5.8
187.14752	4.9
259.20520	5.1
261.22150	14.1
295.73227	4.3
301.21707	6.7
327.23145	4.9
335.25732	42.2
341.24905	4.8
351.22937	11.6
369.23993	13.0
387.25024	7.3
443.27820	7.6
461.28836	6.9
479.29758	12.7
497.30655	17.6
497.37051	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	497.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46431	2.4
52.13152	2.3
62.71938	2.4
75.19403	3.1
81.07040	4.6
89.06009	5.2
95.08584	3.5
96.62225	2.8
123.11743	3.2
124.49297	3.6
168.56403	3.0
173.13260	3.1
185.13243	3.6
208.08638	3.0
215.14267	3.9
268.88699	3.0
278.51178	2.8
427.05771	3.1
437.34097	100.0
438.34427	5.3
450.89185	3.0
458.63803	3.6
522.35980	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	498.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71349	0.4
70.17440	1.0
72.51864	0.4
77.00625	0.3
84.08140	0.3
101.00877	0.7
114.91808	0.4
119.01934	0.7
135.39034	0.3
143.01894	2.8
161.02957	3.9
201.03683	0.6
203.03906	1.1
203.05522	0.6
207.05255	0.3
245.05174	0.4
276.07169	0.3
319.10312	0.5
320.10962	1.0
336.10495	3.9
354.10370	0.7
385.00806	0.3
498.15787	100.0
499.16150	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	498.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.2
55.05499	5.7
57.03419	5.2
67.05494	8.2
68.15408	2.6
69.03427	9.0
70.06587	100.0
70.94763	3.2
71.04974	7.2
72.08146	27.4
73.02904	8.0
79.05504	5.5
81.03410	8.3
81.07056	9.0
83.08596	5.2
85.02901	27.4
86.09680	23.5
91.05468	5.5
93.07030	7.6
95.04967	3.7
95.08583	9.2
96.08100	4.1
97.02873	13.9
97.06529	3.5
99.04478	14.4
100.58958	2.8
103.03963	17.0
105.07002	3.2
109.02867	15.6
109.10125	4.4
115.03942	5.5
117.03392	5.6
120.08063	5.4
121.10127	4.1
123.11687	3.8
124.07569	20.1
127.03902	34.1
127.08687	14.7
129.10199	10.5
131.04903	3.6
132.04463	6.9
132.10202	3.5
133.05135	4.2
134.06001	5.6
135.04379	10.5
135.11684	3.6
137.05940	4.3
138.09106	7.2
139.11118	4.0
142.34595	3.4
144.04456	21.3
145.02866	8.1
145.04927	17.0
145.08627	5.0
146.06032	5.9
155.08133	42.2
157.09758	5.5
160.03925	21.0
163.03896	47.2
163.06001	6.9
164.07037	4.3
169.12201	8.1
174.05510	17.3
178.04965	9.1
183.14963	6.2
184.04002	3.6
187.13303	7.6
192.06535	19.8
193.04953	13.6
202.04993	25.5
211.14372	6.3
216.06575	3.6
222.11259	4.0
226.15588	5.9
234.07623	6.4
254.14909	11.3
261.12692	4.3
268.06012	7.4
268.16556	5.5
273.12100	4.9
281.37573	3.3
300.08670	2.9
319.08066	3.9
339.23880	21.5
367.23273	11.1
385.24466	16.5
401.21188	7.7
462.48193	3.8
498.18091	4.5
498.32693	19.5
499.21320	6.6
499.33133	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	498.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29354	1.3
55.01851	6.7
55.05503	2.2
57.03425	17.0
57.44610	1.4
59.04990	12.0
59.94956	1.7
60.86145	1.4
61.02907	9.6
62.54934	1.7
65.55020	1.4
67.05490	4.9
68.43310	1.5
69.03420	44.8
69.07056	4.9
69.62126	6.0
70.03738	1.5
70.06594	2.1
71.01343	4.1
71.04978	11.2
73.02906	59.9
79.05475	6.3
81.03407	3.5
81.07046	33.4
83.04978	2.6
83.08627	2.5
85.02892	58.7
85.03411	3.0
85.06532	4.7
87.04468	21.5
87.04957	2.9
90.14906	1.8
91.05471	1.9
93.07021	7.6
95.04969	4.0
95.08595	3.1
97.02880	45.5
97.03484	3.3
97.06522	15.5
97.66422	1.4
98.22723	2.0
99.04435	3.9
99.08083	1.6
99.38985	1.5
105.07027	3.5
107.08593	12.1
109.02856	4.7
109.06503	5.2
109.10141	19.8
111.08031	2.3
113.05979	1.8
115.03919	43.0
121.10098	3.7
123.07929	1.6
123.11679	21.6
125.09608	2.2
127.03901	14.9
133.04947	39.3
133.10117	4.1
137.06013	1.9
139.11166	8.7
143.10652	4.8
145.04956	17.6
151.11150	34.6
153.39931	1.6
154.30296	1.4
157.12253	6.9
163.05984	3.6
169.12221	100.0
170.12595	2.9
174.05428	1.7
179.06975	2.2
187.13272	70.8
188.13522	1.7
223.06013	2.4
241.07008	2.7
259.07925	2.3
271.09360	1.6
277.09085	1.8
498.16498	2.0
498.25153	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	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01856	1.4
57.03434	4.6
61.02914	4.5
67.05503	1.3
69.03430	10.4
69.07053	2.4
69.27141	4.9
70.06593	1.4
71.04983	9.3
73.02911	13.6
79.05492	17.0
81.03426	2.2
81.07049	86.7
82.07365	1.2
83.04987	7.5
85.02901	19.6
87.04478	1.3
89.06012	1.6
91.05477	1.1
93.07046	1.2
95.04974	1.3
95.08598	1.2
97.02888	12.9
97.06529	3.0
99.04470	2.1
100.11262	1.5
104.22617	0.9
105.07018	1.4
107.08608	3.3
107.76871	0.8
109.02885	2.2
109.06483	1.1
109.10139	4.6
115.03917	5.9
121.10155	1.1
123.11676	5.4
126.05798	0.8
127.03896	6.9
128.25941	0.9
133.04956	6.1
133.10135	1.1
137.05983	1.2
139.11191	3.3
145.04967	7.6
147.04430	1.0
151.11133	7.9
163.03899	3.5
163.06010	3.6
169.12224	100.0
170.12593	2.6
174.05386	1.1
183.08824	1.3
187.13388	4.5
223.06056	1.6
229.05017	1.9
241.07072	2.2
259.08170	4.1
279.11481	1.1
498.12909	6.7
498.25937	3.2
499.13284	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	498.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67286	0.7
57.03428	1.5
57.07065	1.1
58.06594	7.1
59.07389	1.8
60.08155	5.2
62.98251	10.1
67.05499	1.8
69.07054	1.0
69.26544	4.2
75.04482	1.3
79.05509	1.1
81.07040	0.9
85.10175	1.1
86.09698	3.9
86.54349	0.8
87.04461	1.5
89.06028	1.9
95.08602	1.4
97.33212	0.8
104.10732	6.2
105.11079	1.8
124.93751	32.6
125.00002	2.2
129.35020	0.8
142.94748	3.6
144.10213	1.8
167.97952	34.8
179.35529	0.8
184.07317	5.7
185.07698	1.8
185.98918	3.9
186.07840	1.6
186.65250	0.8
198.97466	1.1
230.77415	0.7
236.14865	31.6
266.22192	0.7
437.20337	100.0
438.20502	4.5
455.21286	1.1
480.36890	6.1
498.25620	68.2
498.37479	17.6
499.25845	3.0
499.38162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
53.40292	0.5
55.01860	2.6
59.34842	0.7
63.05089	0.6
64.13700	0.6
67.05495	1.6
69.07039	0.6
77.03923	1.5
79.05479	2.5
81.07044	1.6
90.30405	0.6
91.05463	3.2
93.07019	1.6
95.04955	2.3
95.08609	1.5
105.03379	13.1
105.04501	1.4
105.06985	1.1
107.08549	0.8
110.18237	0.5
115.05408	1.1
117.07022	0.7
119.08589	0.7
121.10131	0.6
128.06174	1.2
129.06993	10.1
131.04919	1.2
131.08557	4.6
133.02835	100.0
133.06425	3.6
133.08588	0.7
134.03131	1.3
141.06984	0.6
142.34961	0.5
147.08003	0.6
157.06473	13.8
161.05937	7.1
171.04294	0.6
175.07520	5.1
180.38429	0.6
185.05986	2.4
189.05234	0.6
203.07019	8.9
215.17958	0.8
231.06476	14.6
249.18533	0.7
251.20100	1.2
411.11438	0.6
430.84039	0.6
441.72806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
55.05504	2.3
57.03427	7.8
58.06592	30.6
58.84088	0.4
59.07372	8.3
60.08156	9.6
62.13693	0.4
62.98210	1.2
67.05494	4.9
69.07047	2.4
69.94045	1.2
69.94400	0.5
73.02876	1.3
75.04463	3.6
79.05457	1.3
81.06635	0.4
81.07050	4.8
83.08614	0.7
85.02876	2.3
87.04448	6.5
89.05984	0.6
93.06993	1.7
95.08604	2.5
97.10123	0.5
98.23340	0.6
103.03891	0.8
105.05433	0.8
107.08538	0.7
109.10113	1.2
124.93749	5.4
131.06999	1.6
142.94804	0.7
144.10176	7.3
162.11224	4.6
167.97935	5.9
185.98938	0.6
198.97423	0.7
200.12837	0.5
218.13824	0.8
236.14885	100.0
237.15182	1.7
334.43848	0.5
436.37720	0.7
437.20334	14.9
438.20905	0.5
480.36749	25.6
481.37054	1.4
498.26614	10.2
498.37793	70.6
499.37958	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	498.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75826	0.6
55.05492	3.1
57.07064	38.4
66.88811	0.6
69.07058	2.0
69.30847	2.5
69.31255	1.1
71.08615	26.8
73.06548	6.5
74.35511	0.6
81.07037	0.8
82.93953	0.7
83.08602	2.3
85.10165	22.4
87.04459	4.5
87.32597	0.7
89.06013	100.0
95.08593	1.2
97.10175	3.3
99.11708	4.6
106.86907	0.6
107.07027	3.1
113.13287	1.4
117.09127	4.4
130.08647	2.1
131.07063	1.5
133.08578	48.9
135.10100	0.9
151.09694	1.2
153.86794	0.7
155.17926	4.2
177.11174	17.9
189.82858	0.6
199.20544	4.2
221.13689	3.4
239.14870	2.9
243.23172	9.9
261.41071	0.7
283.17505	2.3
287.25769	6.2
327.20032	9.1
372.85980	0.7
437.34589	1.3
464.73874	0.7
481.37177	10.0
482.37543	0.7
494.32373	0.8
498.39798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24548	0.7
56.96552	2.6
57.61609	0.6
71.43425	0.7
74.65697	0.6
79.10504	0.7
88.96491	0.7
98.96994	0.5
98.97568	14.6
101.00855	0.7
116.98608	9.5
122.02763	0.6
130.93291	4.3
134.99648	4.1
136.82697	0.7
148.94373	0.9
160.69868	0.7
172.94337	7.9
174.97603	2.4
177.00890	2.0
188.92348	1.1
190.95378	13.4
192.98694	2.4
198.14690	0.7
206.93356	2.0
208.96474	5.4
214.95435	6.0
216.98701	2.7
219.01945	1.6
224.94440	1.5
230.93338	11.3
232.96461	32.1
234.99840	5.4
236.00040	1.2
243.01909	1.2
248.94417	21.7
250.97539	16.8
251.97569	0.7
256.96585	9.9
258.99884	3.9
260.00037	1.3
260.79846	0.8
260.99911	1.5
261.03046	6.3
262.03207	2.5
263.02875	1.7
266.95438	7.1
272.94385	16.4
272.97293	0.8
273.94537	1.3
274.97629	29.6
275.97815	2.5
276.97989	0.8
277.00970	3.7
278.01111	2.0
278.96945	0.9
279.00726	1.4
280.96698	0.8
282.99881	4.5
284.00024	2.5
284.99799	3.4
288.92368	1.0
290.95465	38.4
291.95587	2.3
292.98572	7.6
293.98923	1.1
296.94373	1.5
297.94669	0.8
298.97699	18.3
299.97800	2.5
300.97675	1.2
301.00922	7.3
302.01233	3.5
303.00824	5.4
306.93417	2.6
308.96460	9.4
309.96402	1.1
313.95477	1.3
314.95435	32.2
314.99155	1.8
315.95398	3.1
316.96191	1.0
316.98764	27.7
317.98944	3.3
318.98468	1.2
330.93573	3.4
331.96429	1.6
332.96500	47.7
333.96387	2.9
340.98865	1.3
348.94623	3.9
350.97662	3.0
354.93515	0.7
356.96722	6.8
358.99844	2.3
372.94653	6.7
374.97583	14.7
375.98047	0.8
390.95587	13.7
391.95419	0.9
392.98456	2.1
396.94882	2.1
397.99762	0.9
414.95599	9.5
425.00305	1.0
427.01038	0.8
432.96564	17.8
433.97141	0.8
438.95206	5.0
440.98993	0.8
444.02399	1.7
445.02097	2.5
445.49911	1.1
445.99887	1.9
447.00107	1.3
450.97781	0.9
455.00702	0.7
456.96576	100.0
457.96780	10.4
458.96146	0.7
474.97583	37.8
475.97665	4.2
492.98633	0.9
497.99536	2.2
498.97678	9.1
499.97406	2.0
517.01154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1417
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
57.82277	0.5
69.85255	1.3
85.02892	0.8
89.80116	0.6
125.63502	0.5
175.03653	0.8
185.04243	1.1
203.05237	1.6
207.59911	0.6
258.86981	0.5
259.07877	1.2
264.81528	0.5
337.08929	1.1
347.09439	12.5
348.09436	0.5
405.87943	0.6
421.97293	0.6
499.14139	100.0
500.14456	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	499.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
62.36645	0.3
67.05481	0.3
69.03412	1.2
69.76433	0.6
69.76797	0.6
70.06568	0.9
71.04982	0.3
72.21544	0.3
78.38857	0.3
81.07053	0.9
85.02888	1.3
86.09703	0.3
93.07036	0.3
97.02863	1.2
98.23315	0.5
111.04417	0.7
120.08059	0.3
123.11684	0.4
137.02309	2.0
139.03889	1.4
151.11148	0.4
155.03387	1.5
163.03929	0.6
167.03342	1.1
169.12224	0.6
175.03658	1.2
185.04201	0.4
187.13272	0.8
188.56464	0.4
203.05214	1.1
227.42416	0.3
258.56439	0.3
259.07919	1.3
267.17914	0.3
269.52292	0.3
305.08456	0.4
337.08875	0.9
347.09433	13.2
436.66382	0.4
499.14127	100.0
500.14471	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	499.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51775	1.7
70.06566	0.5
76.46437	0.3
85.02905	0.4
139.03719	0.4
141.05269	0.4
169.04707	1.4
169.06081	0.3
177.01593	1.3
185.04214	2.6
192.03903	12.5
193.04665	1.9
222.39957	0.4
227.05273	1.3
242.07692	0.4
267.08417	1.3
269.06357	0.4
313.08994	0.5
329.08304	3.0
355.09845	2.8
397.11111	0.5
437.14133	4.7
439.12204	3.4
467.11798	0.5
468.12436	0.8
499.14099	100.0
500.14328	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	499.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43753	0.3
56.78457	0.3
63.33805	0.3
69.03429	0.6
70.06578	1.0
70.33730	0.4
71.06906	0.4
71.51237	0.4
73.02909	0.4
75.16663	0.3
80.04116	0.3
85.02907	1.0
91.29379	0.4
97.02886	0.4
122.06088	0.5
123.04350	0.7
130.75998	0.4
139.03848	0.8
140.04425	0.3
147.04453	0.5
151.11185	0.9
161.19862	0.4
163.03960	0.4
169.04723	1.2
172.03954	0.5
177.01633	1.6
185.04225	2.9
192.03917	13.2
193.04709	1.7
203.04895	0.7
206.04639	0.4
227.05278	1.0
246.41373	0.4
267.08310	0.7
313.08948	0.9
329.08514	3.6
355.09937	1.7
397.10971	0.5
407.13058	0.5
437.14163	4.6
439.11908	2.1
469.13184	0.8
481.13043	0.5
499.14127	100.0
500.14267	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	499.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01857	0.8
55.05494	0.7
56.16647	0.6
57.03420	0.6
61.19781	0.6
67.05502	0.7
68.99769	1.0
69.03420	3.8
69.07057	0.7
69.29869	3.6
70.06577	0.9
71.04976	1.5
73.02881	0.8
75.04477	1.1
78.04700	0.8
79.05467	1.3
81.03406	3.4
81.07034	1.9
83.04985	0.9
83.08604	0.6
84.04472	1.0
85.02889	11.3
86.09674	0.6
89.03899	3.3
91.05477	4.0
93.07024	1.4
95.04958	1.7
95.08593	0.9
97.02894	3.5
98.22684	1.1
99.04436	1.7
103.03911	1.9
105.07010	1.0
107.08576	1.5
109.02853	2.9
109.10187	0.8
111.04383	0.8
115.03927	1.6
117.03364	3.4
117.05478	27.7
119.04904	1.2
121.06491	0.9
121.10133	0.7
123.04388	1.2
123.11725	0.6
127.03909	3.2
131.04910	0.6
133.02837	14.6
134.03668	1.3
135.04359	1.4
137.05984	7.3
139.03854	1.1
140.04648	3.5
145.02815	2.7
145.04907	3.3
147.04402	2.3
149.05936	4.4
151.03815	1.4
151.07603	1.2
153.05385	1.5
155.06978	1.7
161.02225	0.7
161.05894	0.9
163.03896	5.7
163.05981	1.7
163.07372	0.8
165.05444	2.6
167.07045	1.7
170.46942	0.7
175.03897	1.5
175.07532	1.0
177.05443	8.1
178.02574	7.2
179.07051	1.2
181.04884	0.9
191.06918	0.6
193.04938	100.0
194.05330	2.8
201.05530	1.0
205.04907	8.6
207.06494	2.6
223.05904	4.4
237.07536	1.4
271.08093	1.2
285.82816	0.6
301.08850	0.7
305.07703	0.8
311.06171	0.6
337.16235	0.7
367.10153	0.9
424.47607	0.7
481.14120	0.8
499.14493	4.4
499.21951	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	499.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
67.05463	2.3
67.92674	0.5
69.03410	0.8
69.07049	0.9
69.78754	2.0
79.05470	1.2
81.07045	2.9
82.92668	0.6
83.06071	1.5
83.08602	0.5
84.04470	2.0
85.06524	0.6
91.05452	2.4
93.07029	3.0
95.08575	2.7
97.02914	0.7
98.23435	0.8
98.97567	1.1
105.07023	3.0
107.08560	2.3
109.06496	0.7
109.10121	2.0
110.92347	0.6
112.06102	0.6
119.08546	2.0
121.06462	1.2
121.10121	3.0
123.08064	0.8
123.11702	1.4
129.06551	1.0
130.04956	0.8
131.08562	1.5
133.10094	1.6
135.08081	0.7
137.09505	0.8
143.08514	0.6
145.10059	1.6
147.07816	1.1
147.11665	1.2
149.09567	1.1
155.08479	0.7
159.08063	1.5
159.11601	0.9
161.09630	0.9
161.13258	1.0
173.09547	0.8
175.11029	1.1
175.14772	0.8
177.09055	1.1
185.04109	1.0
187.11151	0.9
187.14703	0.6
215.14191	0.7
223.09358	2.2
229.15720	0.7
237.02788	1.3
241.09209	1.2
259.10440	0.7
259.16876	0.6
281.18707	0.8
289.05188	0.6
289.21487	2.0
293.13712	1.1
299.07324	65.5
299.19867	1.6
300.07590	1.7
307.22571	1.9
311.14957	0.8
335.21823	1.0
352.24539	2.3
413.18185	1.4
431.19250	2.3
439.31924	1.1
455.18271	4.7
463.27585	0.9
499.17569	100.0
500.18106	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	499.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54335	0.3
53.19764	0.3
67.05482	0.8
70.06579	0.5
70.53403	0.5
72.08105	0.4
73.78636	0.3
81.07011	0.5
84.04485	0.7
86.09695	0.5
91.05463	0.6
91.33923	0.3
93.07006	0.7
93.30469	0.3
95.08574	0.7
105.06976	0.6
107.08551	0.4
109.10149	0.8
113.32685	0.3
121.10143	0.4
125.05992	0.3
129.06592	0.3
130.04987	0.5
131.07033	0.3
137.09599	0.4
155.03093	0.8
223.09384	0.8
317.08115	0.4
337.12592	0.5
338.06903	0.4
367.13458	3.1
499.17657	100.0
500.18036	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	499.1939
Annotation	Interiotherin B
Peak:m/z	Relative Intensity
55.05502	2.2
57.07071	1.0
67.05486	3.7
69.03405	0.8
69.07050	3.2
71.44398	0.7
79.05486	2.9
81.07037	5.6
83.08609	1.2
83.92767	0.6
91.05460	4.2
93.07037	4.3
95.08607	5.3
105.07017	5.7
105.07657	0.8
107.08556	5.1
109.06505	1.1
109.10135	5.8
109.69839	0.7
117.07011	0.9
119.04901	0.7
119.08559	3.1
121.06492	3.0
121.10105	3.2
123.04358	0.7
123.07976	0.8
123.11707	3.1
125.16059	0.6
129.06937	0.9
131.08528	1.2
133.06482	1.9
133.10107	1.5
135.08008	0.7
137.13261	0.7
143.08487	1.6
145.06493	0.9
145.10115	3.1
147.07874	0.7
147.11679	1.0
149.13322	1.0
155.08511	0.7
157.06412	0.9
157.10123	1.4
159.04172	3.0
159.08003	1.5
159.11670	1.0
161.09587	1.2
169.10028	0.9
171.08089	1.0
171.11594	0.8
173.09592	5.0
173.13307	1.3
175.11145	1.6
175.64861	0.6
185.09631	1.1
187.11203	1.5
195.11711	1.0
197.09454	0.8
197.13261	1.0
199.11234	0.9
201.12730	1.5
207.06616	0.7
213.12729	1.8
227.14273	1.1
245.15494	0.8
251.58372	0.7
263.16391	1.1
273.11041	0.9
275.16409	0.9
287.08868	1.0
295.89981	1.1
301.10260	1.1
302.11356	3.2
313.18161	0.8
315.19562	5.5
317.20987	2.4
329.21115	0.9
341.20996	0.9
357.24133	0.9
369.24011	0.8
439.31906	2.0
455.22650	1.9
499.19293	100.0
499.33887	3.2
500.19708	4.5
509.65823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2149
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
67.54191	0.2
70.06587	0.8
70.88287	0.4
79.05484	0.4
82.92755	0.3
85.02921	0.7
97.02893	0.3
122.80826	0.3
123.06818	0.4
123.32798	0.3
127.08679	0.4
134.03627	0.5
137.05978	1.2
151.06273	1.9
151.07300	0.3
161.02299	0.3
161.06029	0.3
163.03908	1.1
169.12267	0.5
170.12549	0.3
229.04945	0.4
241.41919	0.3
257.04489	0.3
271.06046	0.3
271.09622	0.5
286.17511	0.3
313.18051	0.3
337.99139	0.3
347.09631	0.3
367.17245	2.0
385.16882	0.3
467.67844	0.3
499.21448	100.0
500.21838	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	499.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27269	1.8
52.85244	1.7
53.03939	5.4
54.53481	1.6
55.01859	2.6
55.05500	31.9
57.07064	9.3
59.04996	3.0
64.06061	1.9
65.03926	5.7
67.05492	66.4
69.03423	9.9
69.07052	27.8
70.06572	2.5
71.04964	3.1
71.44501	2.4
73.02925	3.5
77.03905	2.9
79.05482	54.4
81.03413	3.4
81.07041	100.0
83.04972	2.9
83.08597	24.0
85.02885	2.7
89.24409	1.9
91.04929	4.1
91.05464	55.3
93.03426	1.9
93.07030	69.4
94.07392	2.9
95.04962	16.7
95.08589	90.0
97.02889	3.3
97.06526	4.4
97.10166	5.8
97.61971	2.0
99.04446	2.1
99.08081	1.9
103.05443	4.3
105.03339	2.1
105.04501	3.3
105.07010	84.5
106.07284	2.1
107.04939	10.7
107.08573	90.8
109.02844	2.8
109.06499	14.1
109.10140	77.8
111.08060	3.9
111.11712	3.5
115.05441	2.1
116.87699	2.1
117.07005	16.1
119.04961	7.2
119.06078	2.8
119.08557	47.5
121.06502	38.6
121.10122	49.7
123.08040	15.3
123.11684	52.6
125.05972	3.6
125.09622	2.3
127.03919	2.5
128.06212	5.8
129.06995	16.3
129.12758	3.4
130.07773	6.7
131.08548	30.6
133.06491	10.2
133.07364	2.0
133.10114	27.0
135.08051	18.4
135.11664	13.5
137.09621	4.8
137.13200	5.1
141.06978	4.5
142.07780	9.3
143.08543	34.9
144.09320	5.5
145.05020	2.2
145.06471	14.9
145.10098	49.6
145.11205	3.1
147.08026	19.0
147.11659	16.2
149.09590	12.7
149.13228	13.5
151.11157	2.5
152.07062	4.0
153.06944	2.2
154.07787	4.2
155.07167	4.5
155.08531	13.6
156.09319	4.9
157.06476	7.6
157.10081	26.1
158.10925	3.1
159.08012	23.0
159.11676	26.9
161.09566	21.7
161.13223	6.4
163.11151	3.8
163.14793	16.7
165.06927	4.6
166.07755	2.8
167.08553	6.4
169.10048	16.8
170.10521	10.0
171.08018	13.1
171.11688	18.4
172.08878	2.2
173.09583	94.6
173.13176	12.3
175.11150	34.1
175.14777	3.7
177.16379	13.3
179.08531	3.1
180.09329	3.0
181.10143	10.1
182.10780	2.6
183.08078	3.2
183.11665	12.1
184.08781	3.9
185.09578	16.7
185.13197	16.8
187.11140	27.7
187.14795	6.0
189.12700	11.0
191.08655	2.5
191.10558	2.9
191.18042	2.0
193.10124	4.6
194.10869	4.6
195.11653	15.3
196.12439	3.4
197.09615	7.3
197.13260	9.6
198.10318	3.7
199.11142	16.3
199.14734	10.8
201.12712	23.2
203.14262	3.3
206.10942	3.1
207.11653	3.5
209.09589	2.3
209.13287	9.0
210.10361	2.8
210.13994	2.2
211.11163	7.2
211.14825	5.3
213.12712	29.5
213.16362	3.6
215.14290	7.5
217.15771	2.3
221.13251	6.5
223.14767	4.6
225.12711	4.0
227.14297	25.0
231.11722	2.8
231.13754	14.0
232.12473	2.7
233.13216	4.4
235.14792	5.3
237.12698	3.3
237.16385	3.5
239.14323	7.3
241.15895	7.3
245.13261	2.7
245.15288	13.3
247.14737	2.3
249.14848	6.1
250.13329	2.6
253.15826	3.5
257.15359	5.5
259.16983	3.4
261.14575	2.8
263.16119	15.1
270.17834	1.9
275.16324	17.1
277.18073	6.6
279.17361	2.5
283.20578	7.4
289.17990	7.9
293.19037	2.3
295.16949	3.6
297.18576	3.9
297.21930	17.3
299.16367	2.7
301.17871	2.4
303.19598	5.8
311.20032	2.2
313.17966	17.3
315.19482	75.3
317.21014	28.7
327.19345	10.2
329.20956	16.2
331.22614	9.2
341.21097	7.1
343.22607	18.3
345.24231	4.8
351.23138	3.7
355.22574	10.7
357.24066	9.1
369.24139	24.7
383.25812	4.5
403.30020	3.0
421.30963	11.7
439.31995	32.4
440.32028	3.9
457.32864	4.2
499.21341	7.4
499.28354	4.4
499.34314	36.9
500.31918	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	499.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51480	3.3
55.05502	10.3
59.29623	3.2
67.05493	16.2
68.06287	2.8
69.03411	5.3
69.07053	7.8
71.06216	3.3
79.05471	15.7
81.07042	23.4
83.04973	3.9
83.08629	8.0
85.02879	3.3
91.05476	12.4
93.07013	19.6
95.04963	7.5
95.08589	28.5
97.10154	4.5
105.07014	21.3
107.08591	23.7
109.06507	5.7
109.10142	21.4
117.06982	3.7
119.08575	16.2
121.06491	11.2
121.10125	16.7
123.08047	5.4
123.11670	14.9
123.26862	3.6
128.06151	3.7
131.08554	7.6
133.10120	6.3
135.08026	7.8
143.08577	4.5
145.10138	11.8
147.08075	6.6
147.11632	5.0
157.10146	7.1
159.04166	4.9
159.08022	6.2
159.11710	7.3
161.09639	5.9
171.11742	4.1
173.09578	21.3
175.11217	10.1
183.08043	4.2
183.11671	4.7
185.09200	4.9
185.13293	4.8
187.11177	7.2
189.12794	3.8
201.12764	6.9
213.12769	9.3
216.11061	7.6
227.14278	8.3
231.13864	4.0
263.16360	5.5
302.11340	5.0
313.17850	2.9
315.19516	22.7
317.20956	9.3
319.22928	4.1
329.21033	5.8
355.22668	3.5
369.24304	6.7
383.25983	3.2
397.97974	3.8
402.54309	3.2
439.31635	5.3
448.64630	3.5
499.19351	100.0
499.28058	11.2
499.34360	7.2
500.19601	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	499.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31043	2.8
53.03936	6.5
55.05503	33.5
57.07061	7.8
63.20032	3.3
65.03924	4.1
66.92313	3.4
67.05497	57.0
69.03407	4.9
69.07062	32.9
71.44463	3.5
79.05474	51.6
80.06216	3.7
81.07040	100.0
83.04951	5.1
83.08608	21.8
84.04488	6.2
91.05460	48.3
93.07032	68.5
95.04947	18.1
95.08013	7.0
95.08592	93.8
97.06503	7.8
97.10144	10.4
102.05485	3.9
103.05482	4.3
105.04520	6.0
105.07004	74.5
107.04920	9.5
107.08572	81.9
109.06506	14.6
109.10137	88.2
111.08064	3.9
111.11694	3.6
117.06995	19.7
119.08559	47.9
121.06477	41.9
121.10125	48.4
123.08064	13.0
123.11704	51.5
125.05991	3.7
128.06230	6.9
128.87761	3.2
129.07001	16.2
130.04994	3.9
130.07741	8.6
131.08559	27.2
133.06473	17.1
133.10098	22.0
135.08014	19.4
135.11642	15.7
137.09592	5.2
137.13240	3.9
139.11159	8.5
140.71800	3.1
142.07784	9.3
143.08527	32.1
144.09261	5.4
145.06480	10.7
145.10114	55.0
147.08022	22.3
147.11649	22.8
149.09584	9.1
149.13252	12.2
155.08543	11.5
156.09312	7.2
157.06474	7.6
157.10115	26.2
159.08041	19.7
159.11635	26.9
159.12787	3.9
161.09572	21.6
161.13181	6.9
163.11119	3.7
163.14716	17.2
165.07042	3.6
167.08444	6.4
169.10124	13.9
170.10855	6.0
171.08041	15.8
171.11650	20.2
172.45184	3.3
173.09587	95.6
173.13225	12.5
174.10078	4.7
175.11148	34.1
175.14853	5.7
177.16324	18.3
179.08543	4.6
180.09280	3.9
181.10144	10.6
182.11096	3.4
183.08049	7.8
183.11678	11.1
185.09608	15.5
185.13245	13.0
187.11151	30.7
187.14806	4.4
187.76010	3.4
189.12729	9.1
194.10893	4.0
195.11681	10.5
197.09647	9.7
197.13249	9.6
198.10381	3.8
199.11156	12.4
199.14790	9.1
201.12703	25.7
203.14331	6.5
207.11830	7.1
209.13266	14.3
211.14848	10.2
213.12727	35.9
215.14307	10.6
217.15659	3.8
221.13385	4.9
223.14726	5.2
225.12691	8.0
227.14346	22.4
229.15907	5.5
231.11827	4.1
231.13776	21.1
235.14619	5.2
237.16350	7.2
239.14252	11.0
241.15923	9.5
245.15332	12.9
249.14690	8.9
253.91656	3.3
255.17453	4.9
257.15384	4.8
261.14722	4.9
263.16287	23.6
272.36414	3.3
275.16409	24.9
277.17963	10.9
279.17566	5.9
281.19037	4.5
283.20477	6.8
289.17816	7.0
295.16583	6.3
297.18576	7.3
297.22125	18.9
301.17822	7.4
303.19669	6.0
313.17926	25.7
315.19495	94.7
317.21005	36.4
327.19571	12.6
329.20853	19.8
331.22739	9.4
341.21109	8.3
343.22562	18.0
351.23254	6.5
351.88809	4.1
355.22589	12.4
357.24088	12.6
369.24225	22.9
383.25745	11.2
392.41412	3.7
403.29865	4.9
421.30804	10.3
439.31979	37.3
457.32843	4.9
478.76462	3.9
499.26190	9.3
499.34082	51.6
500.33228	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	499.3757
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
69.58269	3.0
70.35167	0.7
76.69178	0.9
76.72549	1.1
77.04146	0.8
81.07045	0.9
85.48833	0.8
92.97041	1.1
95.55685	0.8
96.31858	0.8
98.23419	0.9
180.89456	1.2
191.10432	3.0
331.26071	5.3
341.20535	1.4
395.13977	0.8
417.19205	2.0
439.17523	6.9
499.37564	100.0
500.38013	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	500.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
55.05495	5.1
57.03436	12.9
59.04991	30.9
61.54261	1.9
63.21122	2.1
69.03415	70.9
70.06573	5.5
71.04978	61.6
73.02914	4.1
81.03397	3.2
83.04965	23.1
84.08149	2.6
85.02887	91.6
87.04459	9.1
87.24230	2.4
97.02871	9.6
99.04410	4.8
101.06006	11.5
111.04416	16.6
115.03104	5.0
115.03910	87.7
127.03852	4.8
129.05449	86.4
135.04352	3.0
141.05519	2.7
143.02252	4.6
143.03372	93.6
145.04909	3.0
147.06497	18.4
157.04877	2.9
159.09966	2.6
163.03903	7.0
175.05989	100.0
255.08597	3.5
280.65759	2.4
371.08939	3.0
381.62268	2.4
500.13904	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	500.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84213	0.4
69.03431	0.7
70.06586	0.6
71.41380	0.5
81.03403	0.8
85.02899	2.8
88.28805	0.5
91.05469	0.7
94.04181	1.9
95.04959	0.9
97.02891	0.8
99.54306	0.5
107.04950	1.0
109.02876	0.8
119.04980	0.5
121.06491	2.0
122.03618	4.6
123.04414	0.6
127.03870	0.7
137.05965	100.0
138.06308	1.7
139.03914	0.6
145.04982	0.7
147.04398	0.7
149.05972	5.4
151.07574	2.3
152.06213	0.6
153.06969	3.2
163.03949	0.9
167.03409	0.9
175.05945	0.6
179.07091	0.9
181.06467	6.2
195.07938	0.8
198.06755	0.7
208.75980	0.5
209.05989	1.6
213.09109	5.7
241.08598	5.8
242.09087	0.5
253.08705	1.1
273.11191	31.1
274.11545	1.4
285.11276	1.0
303.12271	0.6
365.57986	0.5
406.90353	0.6
500.13373	0.5
501.13364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04704	0.3
69.35480	1.3
74.00644	0.3
79.05477	0.3
79.43901	0.2
81.03391	0.4
85.02882	1.0
91.05457	0.5
94.04162	1.5
95.04955	0.3
97.02883	0.6
98.90498	0.2
121.06486	0.4
122.03628	3.4
127.03929	0.3
137.05951	100.0
137.22202	0.2
138.06285	2.0
138.27077	0.2
141.09100	0.2
149.05980	0.6
150.67892	0.3
152.06090	0.2
153.06935	0.6
178.03952	0.2
179.07004	1.0
181.06424	1.4
198.06696	0.3
209.05997	0.3
213.09128	0.8
225.09131	0.3
241.08606	1.1
253.08490	0.5
273.11151	3.7
285.11090	2.1
303.12039	1.2
358.41061	0.2
500.15378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05504	3.0
57.03430	3.7
57.52426	1.2
59.04988	2.5
61.02918	2.2
68.20702	1.2
69.03417	10.9
69.07069	1.9
70.06602	2.1
71.04981	16.1
72.11716	1.1
73.02921	10.6
73.06548	3.4
79.05482	4.2
81.07044	23.2
83.08624	1.4
84.08115	2.0
85.02898	22.4
86.09711	2.5
87.04468	4.5
89.26833	1.2
91.05468	1.8
93.07029	15.2
95.04980	1.6
95.08625	2.7
97.02870	17.3
97.06486	1.2
99.04432	1.8
104.07104	2.6
105.07035	1.5
107.08575	10.6
109.02863	2.3
109.10170	2.8
115.03924	10.2
119.04939	2.0
127.03905	6.6
133.04947	13.7
135.11674	24.8
137.02351	2.8
139.03900	1.8
145.04942	9.6
147.04391	7.9
153.12729	100.0
154.12981	2.3
155.03375	2.0
163.05997	6.0
166.08629	2.7
193.04947	1.8
197.60779	1.4
200.40738	1.2
223.05974	2.2
241.06816	2.5
259.08047	7.8
295.10272	3.6
303.13388	2.4
308.05893	1.3
316.36249	1.3
482.16125	3.1
500.17349	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	500.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
58.06610	0.4
67.05486	1.2
69.07035	0.8
69.51112	1.6
70.00336	0.4
70.06171	0.4
76.78621	0.3
81.07034	1.3
89.06000	0.4
95.08596	0.8
98.06075	1.2
115.03666	1.6
120.96619	0.9
146.01833	0.4
157.27322	0.5
176.99242	2.3
195.00281	100.0
196.00658	0.5
240.85730	0.5
306.27887	4.6
328.26120	1.4
346.27118	1.1
398.46240	0.5
440.17603	0.7
444.23224	0.8
457.23145	2.4
499.37357	0.9
500.27478	10.9
500.37622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	4.1
62.05114	0.4
67.05467	0.4
69.03410	0.8
69.07043	0.6
76.62479	0.3
79.17246	0.4
81.03368	0.4
81.06999	0.4
85.02867	0.9
85.12498	0.3
91.05469	0.5
93.06947	0.9
95.08569	0.6
97.02153	0.3
101.05986	1.3
102.05358	0.3
105.06999	0.8
107.08532	0.5
109.10118	0.6
110.07040	0.4
115.03924	0.6
119.08569	0.5
121.10107	0.6
127.03786	0.4
129.05460	5.3
129.76576	0.4
133.06493	0.5
133.10141	0.4
137.05919	0.9
139.34767	0.3
145.02794	0.5
147.06488	0.7
171.07965	0.4
177.05437	1.0
186.52615	0.4
232.22495	0.4
263.28036	0.4
295.09543	0.5
339.08337	100.0
340.08731	4.0
501.13550	34.6
502.13849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1881
Annotation	Singapurensine D
Peak:m/z	Relative Intensity
53.27203	12.3
54.08121	13.9
54.26579	12.8
61.49550	12.8
69.50674	19.8
69.51013	61.2
77.04620	15.3
97.06577	16.4
110.97843	14.8
201.80035	14.8
246.71129	16.9
254.89790	13.5
317.39255	14.2
501.18918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25529	0.4
60.08558	0.4
65.09795	0.4
66.27522	0.4
69.03411	0.7
69.18732	0.4
70.06566	0.4
70.44241	1.0
74.99533	0.4
81.07030	0.4
84.08114	0.6
85.02853	0.6
86.09711	0.6
88.26653	0.4
92.02837	0.4
93.07029	0.4
105.06992	0.6
120.00180	0.4
130.08994	0.4
132.70651	0.4
133.10046	0.5
155.03203	0.6
173.04253	0.6
182.48180	0.4
191.14279	0.5
207.09897	12.9
213.37469	0.4
229.06735	2.2
278.15894	0.5
317.08383	38.6
318.08719	0.6
335.09366	1.4
369.19028	0.6
483.22049	0.5
501.19193	100.0
502.19510	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	501.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25529	0.4
60.08558	0.4
65.09795	0.4
66.27522	0.4
69.03411	0.7
69.18732	0.4
70.06566	0.4
70.44241	1.0
74.99533	0.4
81.07030	0.4
84.08114	0.6
85.02853	0.6
86.09711	0.6
88.26653	0.4
92.02837	0.4
93.07029	0.4
105.06992	0.6
120.00180	0.4
130.08994	0.4
132.70651	0.4
133.10046	0.5
155.03203	0.6
173.04253	0.6
182.48180	0.4
191.14279	0.5
207.09897	12.9
213.37469	0.4
229.06735	2.2
278.15894	0.5
317.08383	38.6
318.08719	0.6
335.09366	1.4
369.19028	0.6
483.22049	0.5
501.19193	100.0
502.19510	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	501.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
54.71387	0.4
55.05502	0.7
57.03398	0.4
58.92909	0.4
67.05469	1.1
69.03408	2.5
69.07040	0.8
71.04981	33.1
79.05471	0.8
81.03408	2.1
81.07022	1.2
81.32982	0.3
84.04486	1.0
85.02885	3.5
85.06529	5.5
86.09692	2.3
91.05475	0.4
93.07038	0.6
95.04937	1.3
95.08588	1.2
97.02866	3.6
97.10096	0.4
99.04446	0.8
103.07552	0.5
105.07002	1.6
107.08589	1.3
109.02850	2.3
111.84172	0.4
113.06001	5.9
115.03864	0.4
119.08603	0.8
121.10107	0.5
122.06023	0.9
123.04403	1.1
127.03893	3.0
127.07537	18.5
128.07903	0.4
130.04962	0.5
131.07025	7.6
133.10109	1.3
141.05386	0.5
145.04962	2.3
145.08574	100.0
146.08907	1.2
150.05473	4.3
155.07101	0.5
161.09671	0.5
173.08086	1.1
179.10742	0.6
185.08112	0.7
189.12624	0.4
191.07465	0.8
191.09106	7.3
192.06496	3.6
243.13361	0.6
257.10114	1.9
275.11444	0.8
299.11279	0.6
299.80054	0.4
312.10840	0.4
317.12259	1.4
335.13397	1.6
339.25436	0.6
484.18286	1.8
501.19797	1.4
501.22107	1.4
501.30524	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	501.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.8
57.03423	6.4
57.07083	2.2
61.34110	1.8
67.05486	5.4
69.03425	19.7
69.07050	7.5
69.41470	8.0
69.41847	3.8
70.06584	2.3
71.04987	4.1
73.02909	2.8
79.05474	7.3
81.03403	4.3
81.07049	21.6
83.04974	3.5
84.08161	2.2
85.02894	100.0
86.09690	2.9
87.04449	5.4
91.05470	7.0
93.07046	11.9
95.04935	2.8
95.08598	9.2
97.02878	99.0
98.22709	2.4
99.04449	4.2
105.07036	13.5
107.08577	2.3
109.02933	2.0
109.06509	5.4
109.10152	13.4
111.04447	5.1
115.03936	10.1
119.08551	11.9
121.06435	2.1
121.10128	31.8
123.11691	90.5
124.12010	2.7
125.05978	77.8
126.06314	1.9
127.03950	9.1
130.07762	1.9
131.08556	3.8
133.06523	2.0
133.10109	3.1
135.04430	2.1
137.05977	4.7
138.00693	2.0
138.06119	2.1
139.03860	3.5
139.07533	14.5
145.04945	3.5
145.10092	4.5
147.08014	2.8
147.11632	13.2
149.05991	5.6
149.09595	49.0
151.07552	8.9
156.09323	3.7
157.04852	2.3
159.11723	3.8
161.09569	2.6
167.10655	74.0
171.11707	3.1
173.13264	2.9
175.06105	2.3
179.21484	1.8
189.12752	15.3
193.04945	23.7
194.54608	2.2
201.12706	5.4
207.13783	78.7
213.12585	2.3
217.12233	4.2
219.13828	8.4
225.14825	47.6
231.73790	2.0
247.09505	3.3
303.15979	2.7
321.16916	19.3
335.09601	3.5
339.17929	7.9
351.17978	7.5
369.19095	4.2
393.20941	2.0
402.25055	2.4
473.61423	1.9
501.18158	15.1
501.23157	37.2
502.23190	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	501.355
Annotation	Morinin K
Peak:m/z	Relative Intensity
51.10297	0.7
56.54061	0.7
66.97237	0.7
71.19568	1.3
89.06014	1.0
98.18432	0.7
118.90456	0.9
458.33664	2.8
501.35416	100.0
502.35770	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	501.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60541	3.6
55.05261	5.0
55.05511	70.0
57.03437	41.5
57.06820	5.5
57.07079	65.3
62.98252	7.2
66.84625	3.4
67.05163	5.4
67.05504	82.8
69.07066	98.8
71.04987	5.2
71.08634	41.6
72.47318	4.1
73.06539	3.8
75.04475	14.3
79.05497	25.5
81.07051	100.0
81.07500	7.4
82.07335	4.0
83.04972	9.1
83.08620	81.7
85.10186	26.1
91.05473	11.0
93.07040	37.5
95.04964	8.0
95.08605	92.1
97.06521	29.9
97.10171	50.9
98.23500	8.6
101.06047	4.6
105.07026	5.8
107.08553	27.8
109.10148	53.8
111.08089	15.6
111.11714	13.9
115.07573	7.3
117.46575	3.9
119.08579	3.7
121.10138	45.5
123.11716	23.0
125.09693	8.5
125.13313	4.4
129.09167	5.5
131.07030	8.4
133.10127	7.0
135.11690	34.1
137.13257	8.4
139.11177	13.3
143.10660	4.7
149.13301	20.2
153.12764	8.1
163.14835	12.2
164.92981	23.4
167.14339	7.5
170.73000	4.0
174.85786	4.6
177.16356	6.8
181.15868	9.0
185.15419	3.8
191.17992	4.4
195.00250	23.9
195.17480	3.9
198.97386	11.0
207.17621	3.9
220.95615	10.7
251.23811	5.8
289.28864	16.4
299.27023	4.5
307.29895	20.6
317.28439	13.3
335.29449	50.1
371.31592	96.9
409.33115	62.4
427.34109	78.4
461.20468	9.5
483.36807	31.7
494.76526	4.6
501.19794	35.1
501.37991	65.0
506.30710	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	501.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
57.07064	0.6
67.05491	0.9
68.04957	0.2
69.07056	0.8
69.39365	1.1
71.08620	0.7
79.05483	0.2
81.07039	0.9
83.08610	0.3
85.10165	0.2
89.05975	0.3
93.07046	0.5
95.08602	1.0
97.10144	0.5
107.08576	0.3
109.10188	0.4
121.10145	0.4
177.19740	0.2
185.29056	0.2
192.20494	0.2
289.28925	0.2
307.30121	0.3
371.31448	0.4
395.93045	0.2
399.04315	0.2
427.34225	0.6
483.37143	0.3
501.39108	100.0
502.39426	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	502.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83239	1.2
56.61898	0.9
59.04994	69.8
63.16566	1.0
69.03440	6.4
69.03749	1.0
69.69952	1.0
71.44176	1.0
73.02908	2.2
79.93811	0.9
81.03405	5.1
81.07074	1.4
85.02899	4.4
87.04462	2.6
91.05470	1.5
97.02869	5.5
99.04453	1.2
101.06003	17.3
105.07034	2.0
107.08601	1.7
108.04491	1.6
109.02886	4.6
109.10126	1.3
115.03908	12.6
124.65278	0.9
127.03911	4.1
129.05460	100.0
133.10147	1.2
137.06033	1.6
145.02866	4.0
145.05029	1.7
145.10222	1.4
147.06493	16.8
147.07600	1.4
167.07022	1.3
172.66539	1.0
177.05461	7.2
204.55455	1.0
259.08102	2.7
273.09698	5.7
291.10736	2.0
339.08426	3.8
340.08719	10.5
341.09906	15.5
502.13480	3.4
502.20306	5.7
503.15170	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	502.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.8
57.03433	3.7
58.66778	0.7
61.02911	3.2
69.03420	8.4
69.72968	2.6
70.06584	1.3
71.04984	29.1
72.08154	0.9
73.02910	20.8
78.05980	0.8
81.03403	1.3
81.04056	0.7
81.32710	0.7
84.04490	1.1
84.08134	4.4
85.02899	11.0
85.06531	4.5
86.09707	4.2
87.04454	1.7
95.04948	0.8
97.02883	11.2
98.04342	0.8
99.04446	1.3
103.07561	1.0
109.02896	1.1
113.05989	5.5
115.03911	5.6
127.03884	4.2
127.07543	16.2
129.10231	1.5
131.07011	11.7
133.04971	5.0
145.04938	4.6
145.08580	100.0
146.08963	0.8
148.74657	0.7
150.07570	1.0
162.41997	0.7
173.08061	4.4
191.09125	31.5
240.13464	1.0
243.13596	1.0
259.07999	1.1
287.10959	0.7
333.07874	2.8
335.09412	3.8
335.13312	12.7
366.15186	0.8
366.79028	0.8
445.16528	1.4
502.14847	4.3
503.14688	1.2
503.21021	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	502.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	7.2
59.04976	1.4
61.02903	1.1
69.03065	1.2
69.03420	21.9
71.04980	29.1
73.02901	1.3
80.44463	0.8
81.03360	0.9
85.02888	18.3
85.06530	3.6
87.04455	16.1
97.02877	24.3
113.05997	5.5
115.03914	24.3
127.03888	1.3
127.07547	12.7
131.07013	17.4
133.04942	20.6
145.04941	2.3
145.08572	100.0
146.08948	1.4
150.07619	2.6
173.08025	7.8
179.87735	1.0
191.09113	35.6
229.21001	0.9
240.19218	0.9
264.07248	0.8
302.08234	0.9
305.12180	1.1
421.98907	1.0
502.19437	1.2
503.20865	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	502.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.4
57.03424	12.6
59.05002	3.1
61.02915	2.8
69.03430	6.7
69.07047	1.8
70.06589	1.8
71.04987	83.5
71.08627	31.3
73.02912	3.8
75.04458	3.4
79.05506	2.6
81.03416	2.3
81.07036	7.2
83.04960	10.6
85.02897	100.0
85.06517	2.2
86.03204	1.5
86.09706	3.3
87.04468	2.6
95.08586	1.9
97.02882	6.9
98.23496	3.7
99.04467	3.1
99.08092	15.7
105.07027	2.7
107.08595	1.8
109.02844	1.7
109.06516	10.2
111.04446	10.0
113.52840	1.6
115.03905	2.4
117.09122	39.3
121.02856	2.8
127.03905	5.6
127.07580	4.7
129.05453	39.8
129.06415	2.0
133.10114	5.6
137.05995	4.7
141.09084	63.4
145.04970	4.4
145.08568	10.3
147.06514	19.7
159.10204	10.9
162.05498	1.6
173.13245	2.3
177.11198	56.0
191.14360	3.8
202.10779	2.6
269.13782	3.5
502.19498	5.2
503.20398	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	502.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.8
57.03426	13.4
57.99411	6.9
61.02917	8.0
69.03434	44.6
69.07039	16.0
70.08138	11.2
70.08469	13.3
74.89063	6.7
78.12294	7.8
79.05479	12.4
81.03397	49.5
81.07065	12.4
85.02883	100.0
87.00814	35.4
93.07024	28.6
95.08591	17.5
97.02883	49.4
98.23318	8.9
99.04446	27.5
101.71490	8.2
105.01840	40.3
105.07011	27.0
107.08559	24.7
108.26768	7.6
109.02840	43.1
119.08566	19.2
121.10098	10.5
127.03911	60.7
133.10158	9.6
135.11670	15.2
145.04912	21.9
145.10115	34.1
147.11646	11.2
159.02867	33.3
159.11696	21.3
161.13156	12.5
163.11270	9.6
173.13110	7.8
175.14838	10.9
201.16351	54.3
219.17386	24.4
222.34195	8.2
239.10643	26.5
240.10956	30.7
254.12645	11.3
326.07278	8.1
510.31812	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	502.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.0
53.03933	3.3
54.18705	2.0
55.05499	12.5
64.73598	2.2
67.05503	20.4
69.03430	6.7
69.07071	5.7
69.30702	12.0
71.04987	4.6
79.05479	35.6
81.03417	3.4
81.06613	4.1
81.07047	44.1
83.08574	4.6
84.04483	2.5
85.02888	13.3
87.00829	3.7
91.05460	39.1
93.07032	68.3
95.04957	8.8
95.08595	37.2
97.02895	5.2
97.06544	3.6
98.23445	5.2
105.07018	88.2
107.08582	45.5
109.02870	4.8
109.06450	2.4
109.10136	19.3
110.77206	2.4
115.05473	4.4
117.07008	31.0
119.08568	44.7
121.10123	32.5
123.08035	2.7
127.03897	7.0
128.06174	2.6
129.07007	4.7
130.07782	10.3
131.08548	53.0
133.10109	23.8
135.11670	11.9
143.08521	6.0
144.09338	3.7
145.04961	3.7
145.10106	100.0
146.10405	3.4
147.11690	12.0
149.13210	4.9
157.10057	4.7
159.11673	61.3
161.13220	17.3
163.11157	4.2
173.13228	23.8
189.16318	5.8
191.17949	4.9
201.16341	58.4
207.17366	2.4
216.98065	2.3
219.17415	7.7
226.85272	2.1
236.20088	6.6
361.53201	2.4
459.36237	2.3
461.54837	2.7
502.31119	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	502.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.6
55.05498	7.1
57.07060	15.5
64.14499	4.5
67.05489	11.0
71.08608	14.9
74.09547	4.2
77.42677	4.5
79.05467	13.8
81.07049	15.9
83.08589	7.2
85.06532	10.3
85.10171	6.3
89.06023	27.4
91.05464	20.0
93.07032	17.4
95.04982	5.4
95.08592	7.6
102.28768	4.8
105.07020	16.8
109.06474	7.4
111.08049	12.8
120.08878	4.6
121.06465	23.8
127.07564	6.7
133.08563	16.4
133.10121	100.0
135.07906	5.7
147.08061	8.9
149.09587	12.7
153.09116	8.9
165.09090	12.2
171.10147	13.7
178.81020	4.0
189.11154	17.7
189.71317	5.2
221.13867	5.5
284.40707	4.7
291.22949	11.6
359.20468	19.5
483.27719	5.1
502.35977	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	502.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03935	2.8
55.01860	1.4
55.05499	11.2
56.22864	1.0
57.03423	2.8
57.07053	3.6
61.02912	2.6
63.52611	1.1
64.91557	0.9
65.03919	3.0
67.05489	84.6
69.03419	4.6
69.07047	12.7
70.06552	1.1
71.04974	1.7
71.08620	1.1
75.95202	1.1
79.05474	31.4
81.03403	2.7
81.07040	100.0
82.07372	1.7
83.04953	1.2
83.08606	7.9
85.02888	14.2
85.06525	3.2
88.06197	1.1
91.03918	1.0
91.05450	18.9
93.07024	36.8
95.04925	5.0
95.08583	71.7
97.02855	6.8
97.06506	3.3
97.10143	2.6
99.08085	2.2
105.04498	1.3
105.06998	13.4
107.08569	22.1
109.02875	1.4
109.06497	1.4
109.10130	41.5
111.08074	1.9
111.11705	1.1
117.07008	5.9
119.08544	13.1
121.10112	22.4
123.08073	1.7
123.11673	25.4
123.34598	1.0
125.09603	1.5
127.03896	2.9
131.08525	10.4
133.02835	10.1
133.10101	9.6
135.11659	18.7
137.09579	3.3
137.13248	9.8
139.11105	1.6
145.10086	10.9
147.11652	9.3
149.09528	1.1
149.13222	10.8
150.05467	1.3
151.11172	2.1
151.14778	3.1
159.11679	8.7
161.13239	9.5
163.11066	1.4
163.14775	8.4
165.12698	2.9
173.13205	10.5
175.14807	2.7
177.12679	1.8
177.16364	6.3
179.14261	2.5
187.14763	8.6
191.14244	2.6
201.16344	3.0
205.15810	2.2
219.17476	1.3
228.23169	1.8
243.21028	24.0
256.26257	1.5
261.22083	47.8
262.22418	2.1
289.74783	1.0
323.25739	30.6
369.24081	1.2
432.88342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04807	0.8
57.87069	0.8
70.06596	1.0
70.55541	1.3
84.08141	1.3
85.02865	1.3
86.09708	1.1
98.97581	1.3
103.30144	0.8
111.11369	0.8
124.04321	0.8
125.41215	0.7
129.10242	0.8
167.05435	0.9
195.00613	1.7
219.01640	0.9
231.01712	1.2
235.14763	0.7
245.82339	0.9
279.98004	0.7
286.03812	1.0
299.06107	1.2
357.16229	0.9
420.04959	0.8
503.11557	100.0
504.11981	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	503.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04972	0.6
60.26547	0.3
67.05479	0.5
69.03442	0.4
69.07017	0.3
79.05429	0.4
81.03397	0.4
81.07031	0.6
84.04468	0.4
85.02875	0.5
85.06539	0.3
91.05429	0.5
93.07012	0.8
95.08548	0.4
97.02844	0.4
105.07001	0.8
107.08576	0.5
109.10148	0.5
113.79851	0.3
115.03875	0.3
119.08546	0.3
121.10102	0.3
121.57501	0.3
122.03579	0.5
129.05449	0.8
133.10095	0.4
137.05949	2.3
145.10115	0.4
147.11670	0.4
151.03830	0.3
151.07477	0.4
153.05412	0.4
159.11693	0.4
161.05890	0.7
163.03825	0.5
163.07469	0.4
167.05536	0.5
172.93272	0.3
173.05952	0.4
175.07487	0.6
177.05342	0.4
187.07494	0.4
201.05452	2.2
204.57840	0.4
205.04948	0.7
223.07451	0.4
251.06931	0.4
271.05997	0.3
297.11008	0.6
297.17499	0.3
299.06036	0.4
320.68967	0.3
340.08521	0.5
341.09894	100.0
342.10257	3.8
349.10696	0.3
354.47290	0.3
503.15097	35.6
503.32214	1.2
504.15585	1.4
506.88110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86873	3.8
57.03426	5.3
61.02919	3.5
66.89254	3.3
69.03422	8.2
69.29985	17.2
71.05034	3.4
84.04531	3.5
85.02908	20.9
86.09682	11.4
97.02897	11.2
98.22765	7.3
116.08036	3.4
131.93443	3.3
132.04446	6.1
133.05127	10.5
148.07550	6.1
159.83391	4.2
160.03909	47.1
163.03918	11.7
178.04968	15.1
184.03769	4.2
191.85768	3.6
192.06544	100.0
234.07602	4.8
278.64026	3.8
324.10513	5.5
335.09656	4.4
503.20688	65.9
504.20532	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	503.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38885	0.5
69.03413	0.7
93.07072	0.6
121.56068	0.6
133.10133	0.7
137.05981	1.7
145.08601	0.5
191.14339	0.7
201.05501	1.2
204.04214	0.6
209.15343	1.1
279.00446	0.6
306.03860	0.7
306.07391	0.6
309.03201	0.6
349.05261	2.0
467.24710	0.6
503.18835	100.0
504.19516	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	503.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69353	1.1
86.09692	0.6
88.02229	0.6
98.47404	0.5
107.08588	0.9
120.08157	0.5
121.10087	0.6
129.05528	0.5
133.10135	2.6
137.09557	0.9
148.91519	0.5
165.12770	0.6
191.14337	1.6
209.15367	2.3
260.04941	0.5
268.84366	0.6
285.00677	0.6
341.24530	0.9
472.74686	0.7
503.18832	100.0
504.18893	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	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	1.9
61.02921	2.1
69.03410	7.1
69.05926	7.3
69.66920	1.6
71.05005	1.4
79.05507	2.2
81.03415	3.4
81.07058	3.1
85.02898	14.6
90.93143	1.6
91.05473	6.2
94.04185	4.2
95.04949	1.5
95.08623	2.2
97.02880	6.5
98.22624	2.5
103.05457	2.3
105.07021	5.6
107.04933	2.0
107.08633	2.1
109.02867	1.7
109.06574	3.2
115.05444	2.8
115.37797	1.2
117.06962	3.2
119.08568	4.1
121.10107	1.9
122.03635	6.1
127.03912	2.8
128.06223	2.2
129.06851	1.5
131.04927	5.6
132.05710	2.1
133.06470	3.3
133.10075	1.5
137.05960	100.0
138.06274	1.6
141.07098	1.6
145.05019	1.9
146.03610	2.1
147.04361	1.9
147.08044	3.9
148.22470	1.7
149.05951	3.5
151.03987	2.4
151.07562	1.9
156.05684	1.4
159.08012	1.4
160.05177	3.5
161.05963	10.5
163.03874	1.6
163.07552	7.5
167.05544	2.1
169.06451	2.8
171.08026	1.4
175.07544	34.4
177.05418	1.4
177.09084	1.4
179.07036	1.9
187.07552	5.9
190.72673	1.4
191.08543	4.6
191.14288	3.9
199.07541	14.0
201.05336	1.6
201.08981	1.7
202.07803	3.6
203.08507	9.0
209.15364	2.3
219.08023	8.0
220.08733	2.5
231.08063	8.7
232.08672	3.3
235.07576	1.3
245.09608	1.8
247.07498	2.3
248.08298	4.7
248.97072	1.5
251.10590	8.2
253.08612	1.4
258.35498	1.4
259.07544	4.4
260.08228	1.8
263.10654	4.8
275.06876	1.5
276.07669	3.4
277.08582	2.6
279.10245	9.2
291.10150	13.5
292.10831	4.4
293.22107	1.3
299.06085	1.9
308.10260	1.7
309.11142	1.6
311.12756	14.8
312.12912	1.4
323.12650	16.3
325.14508	2.7
335.09418	5.3
335.13132	1.7
344.97934	1.4
347.22147	1.4
379.15292	1.9
502.91010	1.5
503.19153	33.3
503.31781	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.03455	0.4
57.58839	0.4
58.32668	0.4
65.03930	0.5
66.04707	0.9
69.03421	2.3
69.48287	1.7
71.04953	0.5
79.05468	1.9
81.03397	1.2
81.07022	1.1
85.02896	5.8
87.04447	0.6
91.05457	4.4
93.07004	0.5
94.04165	3.6
95.04952	0.9
97.02907	1.8
103.05451	1.5
104.06238	0.5
105.07020	6.3
107.04926	1.3
108.37159	0.4
109.02882	0.4
109.06499	2.3
115.03895	0.4
115.05440	4.5
117.07016	1.4
118.04113	0.5
119.04906	1.2
119.08575	2.0
121.06496	1.1
122.03630	9.0
123.04443	0.4
127.03905	1.4
128.06174	2.1
129.07002	1.9
131.04898	1.3
132.05692	2.4
133.02765	0.5
133.06465	4.6
133.10127	0.5
137.05951	100.0
138.06291	2.0
141.06960	0.8
143.04831	0.7
144.05692	0.9
145.04951	0.5
145.06424	1.2
146.03583	1.1
147.04372	1.4
147.08037	3.2
149.05988	2.0
151.07492	0.7
155.04857	0.8
155.06027	0.5
156.05673	0.7
157.06462	0.5
159.08009	2.8
160.05180	1.8
161.05956	14.2
163.03827	0.4
163.07489	1.1
165.06960	0.7
166.74176	0.4
167.07062	0.4
168.05695	0.7
171.08054	0.8
172.05168	1.4
173.13278	0.6
175.07510	27.3
176.07857	0.6
177.05423	0.4
177.09027	0.5
179.06963	1.3
184.05185	1.3
185.05954	0.8
187.07512	8.9
187.09201	0.5
189.06955	0.9
189.09064	1.2
190.07765	3.0
191.08522	8.1
191.14426	0.4
193.04924	0.5
199.07506	8.2
201.05440	1.2
202.07727	2.8
203.08536	5.2
204.09137	0.4
205.06523	0.7
207.08061	0.8
208.08815	1.2
217.08441	0.7
218.07239	2.2
219.08009	11.1
220.08794	1.9
221.09717	0.5
231.08031	6.1
232.08826	1.5
233.09511	0.6
235.07600	1.2
235.11128	0.9
236.08260	1.6
237.08916	0.5
247.07474	4.7
248.08322	3.5
249.09152	0.8
251.10654	12.3
253.08586	0.7
258.06644	0.6
259.07523	3.0
260.08301	1.6
261.09036	0.6
263.10699	2.4
264.07724	1.2
265.08521	1.3
276.07822	1.7
277.08487	2.4
279.10083	10.7
280.10938	1.1
281.08090	1.3
291.10114	8.6
292.10889	1.7
293.08038	0.8
293.11249	0.4
295.09686	0.5
295.13220	0.9
296.10410	1.0
308.10379	1.2
309.11218	0.6
311.12711	23.9
312.13168	1.0
317.08530	0.9
323.08984	0.8
323.12711	12.4
341.13736	1.2
395.14401	0.4
474.55612	0.4
503.05731	0.4
503.19785	4.7
504.21042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12209	0.5
69.32150	2.1
73.02901	0.9
84.04495	1.0
85.02882	0.8
96.67152	0.5
97.02854	0.5
98.23431	0.9
98.97583	0.6
100.13216	0.5
117.05483	0.7
127.14973	0.6
130.04968	0.7
135.35065	0.6
137.05962	0.9
142.05000	0.6
147.07671	0.6
205.04723	0.9
210.70647	0.5
212.77220	0.5
249.02652	0.7
252.70898	0.5
335.09415	0.6
369.32599	0.6
371.16684	1.6
503.18918	100.0
504.19366	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	503.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00341	0.3
63.24629	0.3
67.01768	0.3
81.07073	0.4
85.02897	0.8
86.09705	0.4
103.05451	0.5
109.02885	0.4
115.05434	0.4
115.54649	0.3
117.03413	0.7
131.04955	0.5
135.04407	1.2
137.05956	3.5
144.04443	1.5
145.02846	1.2
161.06007	0.4
163.03888	6.8
169.84959	0.4
175.07664	0.5
179.03394	1.2
201.05466	0.5
203.05206	0.8
209.11514	0.5
215.69025	0.3
275.07352	1.2
307.08206	0.4
308.96960	0.3
311.12732	0.4
317.08405	0.5
323.12787	0.6
335.09467	10.7
371.16760	5.4
418.89117	0.4
459.18863	0.7
474.76337	0.4
499.56781	0.4
503.20932	100.0
504.21225	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	503.2096
Annotation	LY223982
Peak:m/z	Relative Intensity
51.00341	0.3
63.24629	0.3
67.01768	0.3
81.07073	0.4
85.02897	0.8
86.09705	0.4
103.05451	0.5
109.02885	0.4
115.05434	0.4
115.54649	0.3
117.03413	0.7
131.04955	0.5
135.04407	1.2
137.05956	3.5
144.04443	1.5
145.02846	1.2
161.06007	0.4
163.03888	6.8
169.84959	0.4
175.07664	0.5
179.03394	1.2
201.05466	0.5
203.05206	0.8
209.11514	0.5
215.69025	0.3
275.07352	1.2
307.08206	0.4
308.96960	0.3
311.12732	0.4
317.08405	0.5
323.12787	0.6
335.09467	10.7
371.16760	5.4
418.89117	0.4
459.18863	0.7
474.76337	0.4
499.56781	0.4
503.20932	100.0
504.21225	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	503.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74989	0.7
57.54738	0.6
58.92561	0.8
58.95060	0.6
63.92150	0.7
69.44375	2.8
76.46004	0.7
88.32810	0.6
88.89510	0.6
93.50165	0.7
145.08597	1.5
155.03006	0.7
161.30977	0.7
193.59039	0.8
203.05269	1.1
275.07562	1.0
308.99225	0.8
333.07916	12.5
335.09464	48.0
336.09869	1.6
356.46854	0.7
371.16898	0.7
391.41217	0.6
445.16785	12.6
503.20984	100.0
504.21225	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	503.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16852	0.8
67.05456	1.1
69.03426	1.0
70.64436	1.0
71.04984	21.7
73.02877	0.9
79.05478	9.2
81.03403	2.8
81.07036	2.0
83.05015	0.8
85.02876	2.6
85.06525	3.6
86.09681	1.1
89.70171	0.8
91.05465	2.8
91.37490	0.9
94.33711	0.9
95.04950	2.5
95.08563	1.2
97.02869	2.2
106.06538	10.6
107.04929	14.9
109.02840	1.9
109.06509	1.6
113.05994	3.8
116.04946	3.4
124.97993	1.0
127.03883	2.1
127.07542	9.6
129.06570	1.4
131.07005	5.1
134.06017	9.0
135.04390	9.0
137.05923	3.0
145.08574	43.0
152.07045	100.0
153.07370	2.2
155.07043	1.3
167.06847	1.0
176.07167	1.0
191.09033	2.3
194.08122	4.6
299.06027	1.4
337.10330	1.0
341.15915	2.3
468.18347	4.1
486.19717	16.4
487.19803	1.2
503.17603	1.4
503.24417	2.7
503.31760	15.8
504.31125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2476
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.01857	3.3
55.05504	3.3
57.03423	10.9
57.81319	1.2
61.02910	9.0
63.48416	1.3
67.05505	2.3
69.03410	12.1
69.07059	7.3
70.05786	3.0
71.01336	1.8
71.04971	2.0
73.02908	68.5
73.17484	1.5
79.05486	2.2
80.29424	1.7
81.03391	1.8
81.07052	5.2
83.08593	1.8
85.02891	24.0
87.04453	5.3
91.05424	2.7
93.07029	5.4
95.04960	6.0
95.08587	7.4
97.02887	17.2
97.06509	2.8
99.04448	4.0
105.07035	4.9
106.21976	1.4
107.08559	6.8
109.02856	1.9
109.06524	6.5
109.10155	3.2
115.03915	20.5
119.08575	6.0
120.49319	1.2
121.06498	2.1
121.10137	3.3
122.07307	2.6
123.08051	14.4
123.11631	1.6
127.03922	4.9
133.04939	17.7
133.10114	5.2
135.08028	22.1
135.11682	5.3
145.04921	9.4
145.10139	2.7
147.11673	3.2
149.09645	2.3
159.11789	1.6
163.05992	2.0
165.12746	15.8
167.05592	2.1
173.13237	3.2
175.14830	4.0
176.11882	2.1
191.14278	73.9
192.14612	2.7
193.15817	10.6
207.13875	1.4
209.15289	13.5
210.14990	1.6
275.44501	1.4
299.06274	1.9
312.33441	1.4
341.19574	4.9
351.51855	1.7
371.20587	3.6
503.24692	100.0
503.31332	6.4
504.25186	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	503.2482
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.05490	3.4
59.50652	2.0
67.05499	3.0
69.03413	6.4
69.07045	6.5
69.14098	5.0
69.14506	9.7
71.04970	2.1
76.62666	2.2
79.05472	3.5
81.07024	4.3
83.04973	8.4
83.08613	2.3
85.02903	3.4
91.05489	2.2
93.07036	5.0
95.04955	3.8
95.08610	14.6
97.06512	3.2
99.08067	5.7
99.99982	2.2
105.07010	3.9
107.04950	2.4
107.08597	21.9
109.06480	3.9
109.10147	14.8
121.10095	16.6
123.08061	4.0
123.11716	4.0
125.09617	8.5
131.08495	3.6
133.10077	10.3
135.08037	7.8
135.11690	3.8
138.96382	2.8
139.11171	4.9
147.11682	6.2
149.09613	8.5
149.13229	12.6
151.11153	63.6
153.09119	3.2
161.12279	2.2
163.14803	9.9
165.12732	6.1
173.13269	9.6
191.14290	61.6
193.70300	2.4
209.15338	100.0
267.21402	2.4
457.93799	2.1
503.18918	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2482
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
54.57996	1.0
61.02933	1.2
67.05519	1.2
69.03423	6.4
70.83173	1.5
73.02914	1.6
79.05495	1.6
81.03405	4.1
81.07036	2.3
85.02887	12.3
85.15572	1.0
93.07037	1.1
95.04985	2.1
95.08591	2.8
97.02894	2.5
99.08109	1.5
105.07029	3.6
107.08567	5.9
109.02834	1.4
109.06506	3.4
109.10197	1.5
113.82954	1.0
115.03937	1.4
119.08594	2.7
121.06435	1.4
121.10125	6.0
123.08051	3.3
123.11688	1.8
127.03909	2.3
133.10106	2.4
135.08017	2.3
137.09560	6.7
145.04929	2.5
147.11652	2.1
149.09604	6.3
149.13237	3.7
151.11153	9.8
161.09654	1.1
165.12737	28.9
173.13240	1.2
191.14290	11.2
193.15852	1.6
193.74507	1.1
209.15341	100.0
210.15623	1.8
252.48109	1.1
371.20572	3.8
503.20355	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14792	1.1
61.27280	1.0
63.91356	1.0
67.05493	1.2
69.03416	6.8
69.07072	1.7
70.51512	1.5
71.05002	1.4
73.02908	2.2
73.38809	1.1
79.05475	2.6
81.03421	3.5
81.07049	3.3
85.02896	13.3
86.09692	1.2
91.05491	1.7
93.07025	1.5
95.04935	2.3
95.08611	2.1
97.02878	4.4
103.83972	1.3
105.07008	3.1
107.08587	5.2
109.02917	1.5
109.06505	3.8
109.10126	1.8
115.03912	1.2
117.05436	2.8
119.08646	2.0
121.10136	7.4
123.08048	3.5
127.03922	2.4
130.04929	1.1
133.10088	9.0
135.08078	2.6
135.11787	1.2
137.05966	2.2
137.09624	7.1
145.04965	4.5
147.11678	1.5
149.09579	5.9
149.13249	4.3
151.11154	11.5
155.59175	1.3
163.05984	1.4
165.12735	33.7
173.13274	3.4
175.07541	1.5
183.79709	1.3
191.14290	12.0
209.15337	100.0
210.15717	1.7
289.51471	1.3
358.98651	1.7
371.20593	3.5
503.20187	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	503.3326
Annotation	GW 7647
Peak:m/z	Relative Intensity
55.01864	4.3
55.05508	14.5
56.05029	7.1
57.03429	5.8
57.07060	4.0
58.06589	3.7
59.05011	6.1
67.05498	19.7
69.03419	14.2
69.07069	24.4
70.06576	6.4
71.04974	9.5
73.02937	4.6
79.05476	17.6
81.03406	4.5
81.07045	48.5
83.05006	8.7
83.06081	30.0
83.08607	6.2
84.04488	72.3
85.02909	22.7
86.09711	5.5
87.04442	4.5
91.05473	12.8
93.07021	33.5
94.04170	4.5
95.04959	9.9
95.08580	22.6
97.02879	10.4
97.06536	8.9
97.10152	21.4
101.07130	12.8
102.05520	9.8
105.07004	26.6
105.89734	3.2
107.08572	23.4
109.02858	6.0
109.06500	11.4
109.10118	22.5
115.05460	4.6
115.15386	3.5
119.08569	13.9
121.06535	4.9
121.10126	22.0
122.03642	7.1
123.11662	21.2
125.09608	5.9
129.06564	56.3
130.04987	64.2
131.08578	4.1
133.06477	9.1
133.10144	14.0
135.07999	4.0
135.11658	10.3
137.05956	100.0
137.09726	4.0
137.13217	5.5
138.06239	3.9
139.11148	9.8
145.10092	7.3
147.04388	4.6
147.07616	34.8
147.11659	11.1
149.05981	3.9
149.09584	5.9
149.13239	5.8
151.07574	3.8
151.11133	7.5
153.12793	4.2
159.08038	7.4
159.11662	3.6
161.05951	15.5
163.03941	4.8
163.11198	8.0
165.09103	8.2
165.12714	4.4
167.05684	3.7
167.07092	6.6
173.13312	5.5
175.07536	22.2
179.03374	3.9
187.07568	10.4
191.08565	10.9
191.14268	7.8
199.07492	6.7
200.31319	3.4
202.14444	4.7
203.08524	6.6
209.15370	13.4
219.07994	8.0
231.08167	4.3
234.09515	10.7
235.09734	15.9
247.07483	4.0
251.10672	15.3
253.10831	3.9
275.23874	3.3
279.10153	11.9
281.14700	5.1
291.10056	7.3
291.23221	3.7
295.16449	5.5
303.23270	8.4
311.12671	19.5
323.12744	10.6
335.09290	7.5
356.13586	11.2
371.20215	5.1
419.28769	6.0
431.29361	4.9
437.29999	7.6
449.30179	10.6
485.19888	5.9
503.17996	19.6
503.25049	62.3
503.31989	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.3
55.05508	14.5
56.05029	7.1
57.03429	5.8
57.07060	4.0
58.06589	3.7
59.05011	6.1
67.05498	19.7
69.03419	14.2
69.07069	24.4
70.06576	6.4
71.04974	9.5
73.02937	4.6
79.05476	17.6
81.03406	4.5
81.07045	48.5
83.05006	8.7
83.06081	30.0
83.08607	6.2
84.04488	72.3
85.02909	22.7
86.09711	5.5
87.04442	4.5
91.05473	12.8
93.07021	33.5
94.04170	4.5
95.04959	9.9
95.08580	22.6
97.02879	10.4
97.06536	8.9
97.10152	21.4
101.07130	12.8
102.05520	9.8
105.07004	26.6
105.89734	3.2
107.08572	23.4
109.02858	6.0
109.06500	11.4
109.10118	22.5
115.05460	4.6
115.15386	3.5
119.08569	13.9
121.06535	4.9
121.10126	22.0
122.03642	7.1
123.11662	21.2
125.09608	5.9
129.06564	56.3
130.04987	64.2
131.08578	4.1
133.06477	9.1
133.10144	14.0
135.07999	4.0
135.11658	10.3
137.05956	100.0
137.09726	4.0
137.13217	5.5
138.06239	3.9
139.11148	9.8
145.10092	7.3
147.04388	4.6
147.07616	34.8
147.11659	11.1
149.05981	3.9
149.09584	5.9
149.13239	5.8
151.07574	3.8
151.11133	7.5
153.12793	4.2
159.08038	7.4
159.11662	3.6
161.05951	15.5
163.03941	4.8
163.11198	8.0
165.09103	8.2
165.12714	4.4
167.05684	3.7
167.07092	6.6
173.13312	5.5
175.07536	22.2
179.03374	3.9
187.07568	10.4
191.08565	10.9
191.14268	7.8
199.07492	6.7
200.31319	3.4
202.14444	4.7
203.08524	6.6
209.15370	13.4
219.07994	8.0
231.08167	4.3
234.09515	10.7
235.09734	15.9
247.07483	4.0
251.10672	15.3
253.10831	3.9
275.23874	3.3
279.10153	11.9
281.14700	5.1
291.10056	7.3
291.23221	3.7
295.16449	5.5
303.23270	8.4
311.12671	19.5
323.12744	10.6
335.09290	7.5
356.13586	11.2
371.20215	5.1
419.28769	6.0
431.29361	4.9
437.29999	7.6
449.30179	10.6
485.19888	5.9
503.17996	19.6
503.25049	62.3
503.31989	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	504.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38205	5.9
56.67950	6.0
58.06597	56.6
59.40212	5.9
69.03435	8.9
70.97247	5.6
72.08157	6.9
85.02899	24.0
86.09707	12.3
97.07487	5.5
116.91142	5.6
122.02707	16.4
123.04454	12.3
129.05518	6.7
138.02124	10.0
138.46553	5.9
147.04393	38.6
151.03879	8.2
175.07555	13.4
177.05376	7.5
179.03372	76.7
190.04984	13.1
196.13373	7.9
198.20399	6.9
203.07011	15.3
221.08122	24.5
237.09210	11.5
265.08624	37.6
270.13278	6.7
282.08859	11.0
297.11258	40.8
302.30756	6.1
310.10516	6.0
341.08539	21.1
342.10156	16.0
342.16968	100.0
492.24689	7.3
504.15497	6.6
504.21820	50.5
505.17484	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	504.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.9
58.06599	27.3
64.29337	1.6
69.03420	7.5
70.28118	2.3
71.04981	3.7
74.06069	3.9
81.03411	7.8
81.88706	1.6
83.04996	1.6
84.08112	1.9
85.02901	10.3
86.09716	3.7
91.05477	11.0
97.02895	8.9
99.04449	2.7
103.05466	2.0
105.03352	1.8
109.02174	1.5
109.02885	6.5
113.02405	1.4
115.03940	3.2
119.04938	6.7
122.02700	2.0
123.04429	3.2
127.03905	5.4
129.10263	3.1
131.04874	1.6
133.02841	56.0
136.07571	8.2
137.05954	1.6
137.07884	2.4
147.04402	33.2
151.03894	7.1
161.05948	3.0
163.03915	1.8
165.05521	3.0
166.37605	1.9
175.03894	100.0
176.04240	1.6
177.05498	1.8
179.03384	21.3
189.05556	2.5
191.08627	2.6
193.04953	10.0
193.09801	2.5
209.09500	2.2
211.06006	5.8
217.04932	14.7
221.08177	4.5
222.06584	2.0
235.05930	13.8
237.09081	4.4
241.04953	2.6
249.05429	2.5
253.06956	2.1
259.05807	1.9
265.08688	13.1
267.06543	7.2
273.07474	3.3
282.08850	4.7
283.05865	4.3
283.12820	1.8
297.11200	18.9
299.12665	3.7
301.07135	10.9
319.08102	23.6
337.09189	29.6
341.08630	4.0
342.10300	2.2
342.16977	40.3
368.65021	1.5
395.24353	1.6
458.30804	1.6
470.40381	1.9
504.22116	11.7
505.16901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18324	0.5
56.05000	0.7
58.06593	60.6
69.47037	1.3
69.47422	1.1
71.04978	0.6
72.25629	0.5
74.06041	0.6
81.03372	0.5
85.02853	1.5
85.09810	0.5
87.67126	0.5
92.40588	0.5
122.06061	0.6
133.02818	2.6
136.07539	1.7
138.62302	0.5
147.04330	1.2
147.06444	0.6
165.06917	0.9
175.03879	3.4
179.03366	5.4
179.08563	1.3
181.06226	0.6
181.10103	1.1
189.06876	0.6
190.07726	0.8
191.08493	5.9
193.09839	0.8
194.07211	1.7
195.07953	1.2
205.06401	1.9
206.07068	0.6
207.08028	4.6
208.08737	1.3
209.09552	4.4
218.07103	0.8
219.08005	6.4
221.05913	0.9
222.06667	7.0
223.07414	0.9
224.08157	0.6
233.05939	1.3
235.07523	3.1
236.08218	1.7
237.09048	10.0
239.06966	0.7
247.07486	2.4
249.05461	1.3
250.06198	1.6
253.08643	0.7
255.10161	1.0
263.06830	1.0
265.08554	35.3
266.08911	2.4
267.06476	2.9
267.10089	1.1
269.11749	0.8
279.10086	1.8
281.11905	0.7
282.08807	12.3
283.09204	1.1
284.10565	2.6
297.11169	41.2
298.11493	1.7
299.12787	4.0
311.12656	0.8
337.09229	1.2
341.08594	1.1
342.16937	100.0
343.17188	4.9
486.20233	0.6
504.22171	30.0
505.22443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46989	1.4
54.53129	1.5
56.92396	1.7
67.05500	2.6
69.03426	5.0
69.90150	2.8
69.90481	2.8
70.06583	3.2
71.04987	3.3
72.08130	2.5
85.02900	4.4
85.06520	2.0
94.94353	1.5
95.03860	1.5
97.02872	4.1
105.03338	1.9
105.07022	2.7
119.04948	3.1
122.02720	1.8
128.06177	3.3
129.06993	2.2
131.04868	2.7
131.08540	2.6
133.06526	2.5
133.10132	1.7
143.08533	11.4
145.06459	4.7
147.04413	9.2
147.08040	2.4
155.08530	2.3
157.06508	5.0
158.07233	2.0
159.08038	7.7
161.05983	6.2
161.09570	8.2
171.08057	9.9
173.05952	10.5
173.09573	13.1
174.06734	9.5
175.07503	4.8
183.08051	3.9
185.05997	4.5
186.06743	1.9
187.07503	5.4
189.09065	69.5
190.09424	2.1
191.10706	5.5
192.09267	1.7
199.07524	19.1
200.08278	5.6
201.09070	26.3
211.07494	2.0
211.11159	2.3
213.09192	1.9
215.14409	4.5
217.08574	29.2
221.08055	4.2
227.10648	2.6
243.10255	2.0
243.11246	2.8
243.13734	31.6
245.11545	2.1
253.12199	7.9
261.14850	18.9
271.13235	100.0
272.13699	3.0
289.14301	18.1
291.51846	1.8
307.15326	82.5
308.15799	2.5
342.09940	3.1
487.23203	1.8
505.16772	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	504.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46989	1.4
54.53129	1.5
56.92396	1.7
67.05500	2.6
69.03426	5.0
69.90150	2.8
69.90481	2.8
70.06583	3.2
71.04987	3.3
72.08130	2.5
85.02900	4.4
85.06520	2.0
94.94353	1.5
95.03860	1.5
97.02872	4.1
105.03338	1.9
105.07022	2.7
119.04948	3.1
122.02720	1.8
128.06177	3.3
129.06993	2.2
131.04868	2.7
131.08540	2.6
133.06526	2.5
133.10132	1.7
143.08533	11.4
145.06459	4.7
147.04413	9.2
147.08040	2.4
155.08530	2.3
157.06508	5.0
158.07233	2.0
159.08038	7.7
161.05983	6.2
161.09570	8.2
171.08057	9.9
173.05952	10.5
173.09573	13.1
174.06734	9.5
175.07503	4.8
183.08051	3.9
185.05997	4.5
186.06743	1.9
187.07503	5.4
189.09065	69.5
190.09424	2.1
191.10706	5.5
192.09267	1.7
199.07524	19.1
200.08278	5.6
201.09070	26.3
211.07494	2.0
211.11159	2.3
213.09192	1.9
215.14409	4.5
217.08574	29.2
221.08055	4.2
227.10648	2.6
243.10255	2.0
243.11246	2.8
243.13734	31.6
245.11545	2.1
253.12199	7.9
261.14850	18.9
271.13235	100.0
272.13699	3.0
289.14301	18.1
291.51846	1.8
307.15326	82.5
308.15799	2.5
342.09940	3.1
487.23203	1.8
505.16772	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	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55688	11.2
55.05503	30.1
67.05495	52.2
69.07061	41.9
70.14550	33.9
79.05478	38.0
81.07047	92.1
83.08584	15.7
85.02895	33.0
87.00770	14.3
91.05474	47.5
92.94955	12.9
93.07045	85.6
95.08588	96.7
97.02852	19.2
105.01871	23.1
105.07014	99.9
107.08576	100.0
109.10157	86.5
119.08566	95.0
121.10139	53.6
123.11740	26.9
127.03889	27.9
129.47342	12.9
133.10095	59.7
135.11699	21.3
145.04968	30.0
147.11656	80.1
149.13269	14.5
161.13217	27.0
165.12706	12.6
175.14847	12.1
203.17979	66.7
205.04996	17.4
231.05136	16.9
505.30170	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	504.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.7
55.05509	12.5
65.64787	4.8
67.05502	28.2
68.15409	3.9
69.07060	19.9
78.87271	3.8
79.05482	17.5
81.07051	56.1
83.04999	4.2
83.08620	7.4
91.05470	32.2
93.07036	100.0
95.04967	10.8
95.08605	38.8
98.23052	4.6
103.68111	4.1
105.04506	4.4
105.07027	44.0
107.08572	44.9
109.10143	60.0
111.08076	31.2
118.88150	4.7
119.08553	37.0
121.10118	24.1
123.11720	16.5
132.55132	3.9
133.10135	19.6
135.11696	56.1
137.05981	5.3
147.11655	44.0
161.13191	9.2
165.12778	5.4
175.14833	4.4
203.17892	33.9
205.05042	7.2
401.04031	5.7
478.76868	4.7
523.74860	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	504.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.8
57.07093	5.2
62.06086	41.5
65.16446	4.7
67.05489	35.5
69.07063	10.0
69.56665	19.4
70.60694	4.5
70.85625	4.6
79.05469	24.2
81.07040	36.3
83.08621	8.7
83.83360	4.3
88.04021	5.7
91.05503	16.5
93.07034	31.7
95.04948	5.4
95.08605	22.7
98.98450	11.8
105.07033	6.4
107.08591	14.5
109.10165	8.0
119.08563	8.9
121.10130	10.9
125.85706	4.7
131.08527	7.0
137.01906	6.1
149.02292	24.2
193.04932	18.8
216.06329	6.6
332.29428	9.6
338.34094	11.8
363.28830	100.0
363.33038	8.0
504.36725	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	504.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.0
57.03439	6.2
57.07079	5.3
61.02908	8.0
67.05497	74.2
69.07058	7.9
69.22360	24.3
79.05489	77.7
81.07049	70.9
83.08619	8.0
85.02894	11.7
85.06528	7.0
91.03948	4.7
91.05453	28.6
93.07031	74.9
95.08586	44.6
105.07014	24.8
107.08581	44.7
109.10160	28.3
111.08084	5.6
117.07017	13.5
119.08564	11.2
121.10137	41.4
123.11692	17.1
125.09571	6.3
131.08542	26.9
133.10146	25.6
135.11673	64.7
137.13277	7.9
145.10074	24.8
147.11659	12.4
149.13203	25.6
159.11665	26.3
163.11212	5.7
173.13255	17.9
187.14717	11.2
205.15858	6.4
205.19330	9.6
209.22937	5.0
215.17937	76.0
233.18956	100.0
307.22812	7.7
325.23547	30.2
375.88379	5.5
377.23303	6.7
445.58301	4.8
513.81885	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	504.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59512	11.0
55.05496	17.6
57.07042	10.2
60.27877	11.3
66.20657	11.2
67.05499	74.8
69.07058	11.1
69.24847	18.6
69.25256	42.4
74.90097	8.7
79.05476	61.0
81.07050	64.5
83.08576	9.9
85.02895	9.5
85.06562	9.9
91.05479	37.0
93.07031	79.1
95.08603	51.1
98.22690	21.5
105.07011	20.2
107.08579	38.2
109.10149	23.7
117.06969	11.7
119.08591	42.5
121.10124	56.0
123.11704	27.4
124.11177	11.2
125.09624	11.3
131.08530	29.0
133.10173	20.9
135.11638	50.7
145.10132	16.9
147.11694	14.9
149.13251	40.0
159.11633	28.9
173.13188	23.7
173.44217	10.1
175.73737	9.9
187.14853	21.8
205.04863	11.5
215.17906	83.1
233.18910	100.0
307.22675	29.8
313.79791	10.8
325.24063	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	505.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50555	0.5
56.96554	0.7
57.03421	1.2
67.05454	0.8
69.03418	5.3
69.07053	1.0
69.73292	0.7
69.73638	1.8
79.05491	0.6
81.07056	3.6
85.02898	3.5
87.04456	2.1
91.05457	2.1
93.07026	1.8
95.08596	4.2
97.02866	4.0
98.97548	0.7
103.05457	1.9
104.05768	0.7
105.07008	3.9
107.08582	3.5
110.50156	0.6
113.09564	0.7
115.03905	4.7
117.03349	0.7
117.05464	2.7
119.08556	12.0
120.32272	0.5
123.51363	0.6
127.03886	0.7
128.39691	0.6
131.04892	6.8
132.05272	2.0
133.04948	2.7
133.10110	14.0
135.11659	3.2
137.05951	3.9
145.01796	0.6
145.02858	1.4
147.11667	1.3
149.05995	1.0
160.60037	0.6
161.05951	1.0
163.07532	3.1
164.07872	1.4
175.14798	28.0
176.15215	1.1
177.05412	1.2
189.00700	0.6
193.15863	2.7
205.04965	1.6
211.16969	2.4
235.10037	0.6
238.35692	0.6
343.15347	1.4
375.05951	1.1
487.76392	0.7
505.13077	100.0
506.13522	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	505.1314
Annotation	Scoparin 6''-acetate
Peak:m/z	Relative Intensity
67.05492	0.9
67.15002	0.9
70.06574	1.1
79.73630	0.9
81.07043	1.2
84.04536	1.1
86.03509	1.0
93.07079	1.0
98.22740	2.8
105.06973	0.9
107.08564	1.4
119.08549	1.3
137.05956	1.3
147.04399	0.9
148.10815	0.9
163.03900	1.2
163.07352	0.9
179.03360	2.1
179.06839	0.8
205.04692	10.0
232.07036	1.0
232.71553	0.9
262.75916	0.9
293.10025	1.5
307.11542	1.0
317.08215	0.9
334.64044	0.9
358.49039	0.9
505.13065	100.0
505.20374	33.3
506.13510	3.4
506.20850	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1338
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.16073	0.2
52.75424	0.2
52.96781	0.2
67.05454	0.2
69.03383	0.4
69.07016	0.2
70.06549	0.1
71.04951	0.2
79.05435	0.2
81.03349	0.2
81.07037	0.2
85.02829	0.2
91.05398	0.4
93.06956	0.2
95.08549	0.2
100.24323	0.1
103.58594	0.2
105.06963	0.2
107.08544	0.3
109.02883	0.2
117.03279	0.2
119.04934	0.2
119.08612	0.2
121.06432	0.2
123.61112	0.1
127.03909	0.3
133.10149	0.2
137.05942	1.4
145.02710	0.2
145.10011	0.2
147.11586	0.2
149.05911	0.4
151.03830	0.2
153.01781	0.4
161.05910	0.2
163.07451	0.2
165.09109	0.2
175.07486	0.2
177.05345	0.3
181.04805	0.1
205.04933	0.4
221.04422	0.3
229.04813	0.4
249.08852	0.2
257.04483	0.2
258.05188	14.3
259.05487	0.4
286.04657	34.9
287.04919	1.0
301.07004	100.0
302.07352	3.6
465.16830	0.2
505.12766	1.3
505.20230	0.2
505.28860	0.2
505.37311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
52.31504	0.2
53.03926	0.7
55.01864	1.2
56.05010	0.3
57.03432	0.5
59.41636	0.3
63.01807	0.2
65.03931	0.9
66.04719	0.5
67.05515	0.2
69.03427	3.9
71.04988	0.7
71.41595	0.3
73.02906	0.3
77.03899	0.4
79.05476	2.1
81.03403	6.0
81.07018	0.3
83.04964	0.4
84.04492	3.2
85.02886	3.8
91.05469	9.3
93.07001	0.4
94.04170	2.0
95.04955	1.6
97.02893	1.4
99.04439	1.1
100.02008	0.3
103.03925	0.4
103.05439	3.1
105.03391	0.9
105.07014	7.0
107.04929	1.7
108.05751	0.3
109.02876	3.0
109.06495	1.3
111.04422	0.5
113.02358	0.3
115.05441	1.1
117.07002	1.0
119.04925	9.4
121.06501	0.8
122.03630	4.8
123.08053	0.7
124.05165	0.5
127.03899	3.4
128.06186	0.5
129.06979	1.0
130.04996	4.2
131.03415	1.2
131.04915	4.1
133.06462	8.0
135.04388	0.4
135.07993	0.3
136.00092	0.3
136.05179	1.1
137.05954	100.0
138.06299	1.9
141.07014	0.5
143.04871	0.7
143.08493	0.3
144.05571	0.4
145.04916	0.4
145.06456	1.5
147.03285	0.5
147.04387	5.8
147.07608	5.8
148.05154	0.3
149.05977	1.8
150.06714	0.3
151.03979	1.2
151.07518	35.6
152.07854	0.9
153.05504	0.3
153.06953	0.4
157.06456	0.9
159.08015	0.7
160.05200	0.3
161.05962	4.8
162.06764	1.4
163.07497	4.7
164.04648	0.9
165.05478	0.9
165.09088	3.7
167.06961	0.7
167.08359	0.5
169.06483	0.7
171.07980	0.4
173.05899	0.3
173.09778	0.3
174.06717	0.6
175.07513	5.0
177.05490	1.1
177.09079	2.4
179.07002	34.0
179.45605	0.3
180.07333	0.6
181.06529	0.4
181.08540	0.7
185.05884	0.3
186.06630	0.2
187.07527	1.8
189.09094	2.0
191.06984	2.0
191.10527	0.3
193.08557	2.4
193.15826	0.3
195.08022	0.4
195.10210	0.4
197.05870	0.7
199.07553	0.6
201.09084	1.4
203.06999	1.2
203.10660	0.6
205.08528	1.3
207.10071	1.2
209.07996	0.6
213.09059	0.6
215.06981	0.7
217.08530	0.9
219.06505	0.4
219.10149	0.7
221.05841	0.3
223.09505	0.5
227.10532	0.5
229.08549	0.9
231.07986	0.3
231.10164	0.7
235.09682	0.6
241.08603	0.9
245.07910	0.4
245.11736	0.4
247.09645	0.4
249.11224	0.4
255.10149	0.3
259.09772	0.5
261.11157	0.6
265.08530	0.5
267.10080	0.4
273.11182	1.8
279.10205	0.6
284.10370	0.3
291.12201	0.9
293.11392	0.4
297.11282	1.2
299.12817	0.6
309.11157	0.9
310.12024	0.5
311.12714	1.1
323.12613	0.5
325.14240	0.8
341.13864	0.5
343.15341	1.9
376.30655	0.3
385.15524	0.3
413.49689	0.3
461.19583	0.4
505.21851	2.6
505.29797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
67.05482	3.3
69.03421	4.9
70.06583	3.2
70.63404	3.2
72.84745	1.5
79.05476	3.4
81.07034	5.5
83.16080	2.0
85.02905	6.6
86.52338	1.8
91.05440	4.5
93.07033	3.2
95.04988	2.7
95.08586	4.6
97.02882	3.5
97.07211	1.7
97.71451	1.7
105.07021	4.3
107.04938	2.5
107.08590	3.4
107.62829	1.9
109.06503	7.3
109.10123	8.9
116.98906	1.8
117.70177	1.7
119.04945	2.4
119.08548	2.2
121.06490	5.2
121.10149	5.2
122.03631	2.1
123.11630	3.1
137.05954	19.4
145.06352	2.3
147.04395	4.0
149.13081	1.9
151.03908	3.3
161.05966	3.9
165.05450	30.7
165.09071	5.5
179.07014	2.2
189.01540	3.9
193.04912	5.8
194.43158	1.7
199.67854	2.4
205.04948	7.0
206.02072	3.2
221.04413	100.0
223.06046	2.5
235.05882	4.8
258.05286	2.6
286.04633	9.5
287.09256	4.0
297.93964	2.0
301.07034	26.0
301.10492	3.4
315.55487	2.2
343.11420	13.0
343.15353	14.6
365.10233	2.3
505.16562	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	505.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
56.05019	2.1
65.03918	3.6
69.03407	2.9
70.06580	2.4
70.78034	2.1
70.78360	2.3
71.04967	2.2
79.05488	5.4
81.07032	2.4
84.04497	52.2
84.08111	2.0
85.02892	3.0
86.09687	4.2
86.84221	2.0
91.05468	57.1
93.07034	2.8
95.04963	5.3
96.08138	2.0
97.02881	3.3
99.04446	11.1
101.07125	4.6
102.05453	1.8
103.05457	6.8
105.03387	13.6
105.04462	2.2
105.07018	7.6
107.04968	9.3
108.05690	2.3
109.06520	11.1
110.09646	2.6
115.05452	2.5
118.04109	2.3
119.04933	77.8
119.08549	2.6
120.08105	2.5
121.06481	6.3
122.03611	3.1
123.08023	4.5
125.06030	2.2
130.04990	81.2
131.04904	6.4
133.02834	5.2
133.06483	8.7
135.04335	2.1
135.08015	4.2
137.05966	63.1
138.09129	2.9
144.04462	1.9
147.04405	22.5
147.07626	100.0
149.05962	4.8
151.07516	37.2
159.07979	4.1
161.05954	24.4
162.06714	7.8
163.03860	2.5
163.07527	2.1
165.05522	3.5
166.08592	14.0
172.03915	7.4
175.07520	14.1
179.07019	35.0
187.06024	2.2
187.07549	7.3
190.04962	19.1
193.08583	5.3
205.08560	12.2
219.08026	2.9
235.09529	5.1
238.05717	1.8
268.06937	2.4
279.10117	3.6
309.11255	8.1
311.12802	3.4
329.13843	3.0
341.13873	2.7
343.12689	2.5
343.17188	2.6
392.96698	1.8
420.34015	2.1
436.96146	2.1
461.19754	5.7
505.22391	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.2
50.42586	0.2
53.03919	0.2
60.02852	0.2
65.03596	0.3
65.03935	0.9
67.05480	0.5
69.19733	1.3
75.04454	0.5
77.03505	0.2
77.03922	0.4
78.04685	0.9
79.05467	1.7
80.06262	1.0
81.03391	0.3
81.07038	0.5
89.03922	0.4
90.04682	1.0
91.05455	6.3
92.06282	0.3
93.03387	0.4
93.07020	0.9
95.04946	1.8
96.51926	0.2
97.10130	0.3
103.05437	1.0
105.03370	1.0
105.04504	0.5
105.06997	1.0
106.04147	1.1
107.04935	9.1
107.05663	0.4
108.05730	4.5
109.06482	1.6
115.05434	1.1
117.06989	1.0
118.04137	0.4
119.04927	0.7
119.06026	0.4
119.08562	0.3
120.05703	0.8
121.02850	0.3
121.06493	3.4
122.07235	0.2
123.04396	1.2
123.08046	1.4
128.06177	0.6
129.06961	0.9
131.04897	1.2
131.08543	0.4
133.06465	1.0
135.03439	0.4
135.04385	3.6
135.08032	1.6
136.05171	8.3
137.05963	3.8
137.09605	0.4
138.06714	1.8
139.07494	0.8
141.06958	0.2
142.07742	0.2
143.04904	0.4
143.08530	0.5
144.05661	0.6
145.06447	2.7
146.07230	1.4
147.04387	0.3
147.08023	2.1
148.05153	9.6
149.05945	1.3
149.09581	0.3
150.06726	1.8
151.04068	2.3
151.07507	100.0
152.07832	2.2
153.05458	0.3
153.09041	1.1
157.06441	1.2
158.07253	1.4
159.08015	2.7
160.05170	0.3
160.08807	0.9
161.05948	3.0
161.09662	0.5
162.06650	0.4
163.07500	3.5
164.08319	1.7
165.05463	1.9
165.07678	0.3
165.09085	9.9
166.06224	15.8
167.07011	2.7
168.07741	0.5
169.08655	0.3
171.08012	2.8
172.08812	2.1
173.05937	2.9
173.09550	1.6
174.06735	2.1
175.07501	2.0
176.08287	2.2
177.05490	0.4
177.09073	7.8
178.09726	0.3
179.06964	0.7
179.10628	1.9
180.07762	1.7
181.08554	73.6
182.08994	1.9
183.10104	0.6
185.09566	0.4
186.06679	0.5
186.10349	1.6
186.82440	0.3
187.07504	3.4
188.08279	4.9
189.09061	6.4
190.09822	1.4
191.06985	0.5
191.10619	3.9
192.07788	0.2
193.08539	2.3
195.10123	4.2
201.09065	5.2
202.09843	5.1
203.06952	1.0
203.10637	11.3
204.07788	0.6
204.11110	0.5
205.08505	0.7
205.12213	0.3
206.09344	0.6
207.10124	2.6
209.11586	0.3
215.10651	0.9
216.11404	3.3
217.08928	1.4
217.12192	8.8
218.09312	0.7
218.12579	0.5
219.10172	1.4
221.11609	1.3
231.10104	0.7
232.10904	1.0
233.11697	3.7
247.13242	7.8
277.11935	0.3
293.15256	0.6
307.13080	0.3
321.14810	0.8
322.15500	0.6
323.12784	0.4
338.14920	0.3
339.15829	0.6
353.17343	2.3
354.18134	6.1
355.18854	0.9
370.17661	22.2
371.17917	1.3
383.18347	0.4
385.20007	20.2
386.20288	1.3
403.21017	1.0
495.45535	0.2
505.28171	0.3
526.16418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.1
57.03434	3.9
57.07071	5.8
62.06078	1.0
67.05502	5.6
69.07066	12.0
71.08629	2.3
71.43629	1.0
79.05485	2.2
81.07054	4.0
83.04978	1.2
83.08613	8.2
91.05429	2.0
93.07027	2.2
95.08614	1.9
97.10150	6.0
105.07025	1.4
107.08569	1.4
109.10166	2.9
111.11700	1.3
115.03662	1.3
119.08550	1.5
121.10131	1.7
133.10118	1.5
134.49318	0.9
135.11659	1.2
151.07565	1.0
156.97426	1.5
167.51588	0.8
170.79980	0.9
176.99229	3.9
195.00275	100.0
196.00760	0.9
226.20625	0.9
229.14398	2.6
310.49332	1.1
311.25772	16.3
333.23938	2.0
365.30521	1.2
505.25266	9.3
505.35812	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	505.2641
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.05492	6.6
65.03953	3.1
65.32224	2.5
67.05492	13.5
68.27593	2.5
69.03408	9.7
69.07056	9.1
70.06575	8.9
71.04987	19.8
71.42516	2.9
72.08169	4.1
73.02901	3.9
75.95982	2.5
77.92162	2.3
79.05465	4.3
81.03381	3.6
81.07061	13.2
83.04958	7.9
83.08632	3.6
85.02908	9.2
85.06516	6.0
86.09690	4.5
86.82123	2.1
90.65594	2.1
91.05455	5.3
93.07042	10.5
94.64036	2.3
95.04926	3.1
95.08588	23.8
95.13569	2.5
97.02885	6.7
99.04448	21.5
99.08086	5.8
100.04771	4.2
102.05566	2.3
105.07003	7.3
107.04951	2.6
107.08565	14.7
107.23679	2.2
109.02944	3.6
109.06504	8.4
109.10143	73.6
111.08037	2.7
113.05977	3.9
115.03903	3.8
117.06971	2.8
119.08560	39.4
121.02808	3.3
121.10116	8.7
123.04408	3.2
123.08042	8.7
123.11702	8.5
127.03922	2.9
127.07526	10.0
131.04895	2.9
131.07030	5.5
133.02809	2.7
133.10114	29.2
135.11673	87.2
137.05934	15.0
137.09592	10.1
138.27876	2.3
145.04988	2.8
145.08572	50.3
147.04387	8.6
149.13231	6.8
151.03909	3.1
151.11113	6.6
151.14810	8.9
153.12830	2.6
157.26518	2.9
161.02422	3.0
161.05940	3.4
165.16379	3.7
167.07031	11.4
175.13354	4.9
175.14795	57.8
181.04855	2.4
185.74786	2.7
189.05379	3.3
193.15868	68.8
202.06029	3.9
211.16882	100.0
212.17354	2.4
224.77798	2.2
261.12650	2.5
313.07019	4.2
343.15106	2.9
365.83392	2.3
380.28220	2.4
461.20950	3.0
505.19629	21.6
506.20038	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
55.05503	4.3
57.03430	2.6
62.63881	0.5
63.71055	0.5
67.05490	13.4
69.07058	3.5
71.04980	0.9
71.37860	0.5
71.41895	0.5
73.19723	0.5
79.05478	8.2
81.07041	15.4
83.08607	3.2
89.03904	5.6
90.74928	0.5
91.05450	4.3
93.07034	6.5
95.04966	1.0
95.08593	13.1
97.06507	1.9
97.10154	1.9
102.12232	0.5
105.07035	2.6
107.04928	1.7
107.08583	3.9
109.10131	5.1
111.08037	1.3
117.03359	6.8
119.08553	1.3
121.10104	5.6
123.11666	2.7
131.08566	1.3
133.10143	4.0
135.04390	15.5
135.11681	3.7
137.09532	1.2
145.02811	11.9
145.03932	0.9
145.10094	1.3
147.11670	1.1
149.13245	1.1
151.11147	1.4
159.11641	1.3
163.03874	100.0
164.04214	1.7
173.13197	0.9
181.04930	13.6
215.17938	2.0
233.18980	2.4
237.07532	1.8
251.20062	2.9
325.23712	16.2
326.23944	1.0
341.72690	0.5
505.27884	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.9
57.03421	1.4
57.07060	0.4
63.02364	0.3
67.05511	2.3
69.07059	3.6
78.04688	0.4
79.05476	1.3
81.07048	1.8
83.08615	1.7
89.03904	5.6
91.05460	0.9
93.07040	1.0
95.08580	1.2
96.52482	0.3
97.06504	0.5
97.10162	0.9
105.02367	0.4
107.08594	0.5
109.10163	0.8
117.03363	17.1
121.10098	0.6
134.03601	1.2
135.04378	1.0
145.02831	43.8
146.03152	1.3
149.05954	5.8
149.13101	0.4
163.03906	1.1
163.83868	0.4
172.84001	0.3
177.05449	100.0
178.05820	1.7
186.05470	1.3
191.03326	0.5
195.00259	5.7
195.06506	1.7
217.02737	0.4
237.22037	0.4
311.25702	1.4
344.27567	0.4
350.56671	0.3
359.64795	0.4
387.11450	0.4
505.24936	0.6
505.31418	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56097	3.0
55.01849	11.6
55.05501	26.3
57.03434	21.6
57.07071	7.9
60.47028	3.0
67.05492	66.4
69.07046	22.9
71.04938	3.8
71.08617	3.7
73.07503	2.9
79.05486	35.7
81.03435	3.8
81.07044	69.2
83.08604	17.1
84.13287	3.0
85.06512	18.0
85.47222	3.4
91.05461	31.5
93.07033	36.6
95.04952	50.2
95.08589	58.2
96.25233	3.2
97.06509	10.0
97.10146	8.8
105.07004	28.4
107.04965	6.1
107.08577	21.2
109.06504	60.1
109.10122	11.6
111.08041	5.7
113.05984	51.3
117.03326	5.0
117.07003	9.9
119.08555	29.2
121.06451	3.8
121.10114	11.7
123.08018	8.7
128.06248	3.3
129.06979	6.8
131.08534	14.7
133.10074	19.0
135.08031	50.0
135.11678	11.7
137.13252	7.4
142.89694	3.4
143.08501	8.5
145.02829	13.0
145.10106	7.7
147.08037	9.7
147.11674	5.9
149.09558	5.5
149.13205	6.2
157.10181	4.1
159.11629	6.3
161.09590	4.7
161.13203	23.7
177.05460	32.0
177.12761	6.2
179.14276	9.2
195.00304	11.4
205.52058	2.9
217.15843	13.3
245.18956	4.7
273.18454	45.1
291.19485	100.0
291.22656	7.0
292.19870	4.6
353.58386	3.6
433.30234	4.4
469.33533	8.1
487.33704	11.4
505.24969	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	506.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.7
63.51331	0.6
67.05487	1.7
69.03393	1.0
69.07038	1.1
70.06579	0.8
71.04987	0.9
79.05463	1.3
81.07041	2.1
84.30508	0.6
85.02869	1.5
85.06508	0.7
86.09687	1.1
91.05460	0.9
93.07021	1.8
95.08573	1.8
97.06510	1.4
105.06977	1.1
107.08568	0.8
109.10120	2.1
111.18962	0.6
119.08553	1.0
121.10094	1.0
127.03955	0.8
131.08528	0.8
137.05911	0.8
137.09564	1.2
145.04938	0.7
145.10040	0.8
149.13063	0.8
155.91811	0.8
159.11665	0.8
165.09097	1.8
193.89653	0.7
195.07996	0.9
213.07277	1.7
224.46198	0.7
344.18530	0.7
357.11435	4.8
446.14124	2.0
465.40594	0.7
482.10376	0.8
506.16266	100.0
507.16428	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	506.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
61.02908	1.1
65.03928	0.7
65.62253	0.3
69.03425	2.1
70.06570	0.4
70.95263	0.3
71.41603	0.3
81.03407	0.8
85.02895	9.9
91.05467	6.8
92.05788	0.4
97.02888	3.4
99.04468	0.5
103.92156	0.3
109.02840	1.0
109.51093	0.3
119.04930	19.2
120.05257	0.3
123.04419	0.9
127.03945	2.3
138.28781	0.3
145.04977	3.3
147.04388	100.0
148.04727	2.4
162.07503	0.4
163.06044	0.8
165.05455	48.0
166.05801	0.7
168.46597	0.3
180.08617	1.1
181.05009	0.3
182.08076	0.3
201.56671	0.3
203.88734	0.3
210.13696	0.3
309.09549	0.7
335.85468	0.3
344.13309	0.6
384.68561	0.4
506.16806	1.3
522.68176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
57.03424	13.6
57.79832	1.3
69.03402	3.6
69.34194	6.6
70.06568	3.8
71.04980	74.1
73.02900	2.4
75.04464	3.6
80.96804	1.2
81.03403	2.7
83.04960	16.0
84.08116	1.5
85.02891	100.0
86.09691	2.6
87.04455	2.1
89.03902	1.7
91.05482	4.4
97.02873	5.9
99.04419	3.6
102.05541	1.5
107.04943	1.9
109.02883	1.8
111.04431	5.9
117.03366	2.7
119.04916	7.5
123.04438	2.1
127.03902	3.6
129.05455	42.2
129.10356	1.5
131.04901	3.2
133.02832	1.9
135.04376	7.0
145.02837	4.6
145.04924	2.8
147.04387	55.0
147.06396	14.5
152.07056	1.7
161.05902	1.8
163.03871	58.2
165.05495	3.0
171.04440	1.5
177.05476	1.8
181.04915	22.9
195.06458	1.4
249.07533	2.1
255.08638	1.6
273.07495	2.2
291.08731	2.0
309.09631	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	506.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.03431	8.6
59.70975	0.8
61.02948	1.1
69.03398	1.5
69.31712	2.3
69.32114	3.3
71.04983	60.5
73.02894	1.3
75.04471	2.9
83.04965	8.1
85.02890	70.2
87.04442	1.1
89.03986	1.2
95.04952	1.0
97.02888	3.3
99.04459	1.3
103.05451	34.8
109.02870	1.5
111.04429	3.8
117.03349	1.9
117.98795	1.0
127.03911	2.2
129.05458	32.6
131.04906	100.0
132.05270	1.8
135.04422	1.4
145.02863	2.5
145.04929	1.7
146.08069	1.4
147.06496	14.0
163.03888	24.4
163.07512	55.0
164.07919	1.4
164.09186	3.4
181.04935	11.4
201.86140	1.1
223.39655	1.1
273.07703	1.1
309.09637	2.4
355.66931	1.1
359.61047	1.2
433.80508	1.0
433.94165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05505	1.4
57.03437	1.0
57.07064	0.7
57.33006	0.5
67.05490	4.9
68.05827	1.1
69.03420	3.5
69.07063	2.5
69.25367	1.5
69.25780	1.6
70.07396	0.9
71.04985	32.2
73.02908	1.4
74.03236	0.6
75.32685	0.5
79.05479	1.0
81.03406	2.7
81.07047	4.5
82.07365	0.9
83.04967	1.9
83.08606	1.6
84.08957	0.9
85.02901	3.7
85.06526	6.1
86.09711	0.7
87.97462	0.6
91.05440	1.1
93.07068	2.7
94.07368	0.5
95.04962	1.6
95.08595	7.9
96.08925	1.7
97.02885	4.5
97.10141	0.8
99.04415	0.7
99.08049	0.8
103.07587	0.5
105.07015	1.9
107.08589	5.2
108.08915	1.8
109.02882	2.5
109.06495	2.3
109.10146	21.2
110.10486	8.4
111.08079	1.2
113.06001	6.1
115.03889	0.7
119.08568	7.6
120.08109	0.9
120.08910	3.9
121.10109	2.8
122.10485	1.1
123.08051	3.5
123.11706	1.9
124.08372	1.3
124.12015	0.9
127.03908	3.1
127.06578	0.8
127.07538	16.1
131.07018	7.7
133.04881	0.7
133.10118	5.7
134.10413	2.8
135.11678	20.0
136.12018	10.6
137.02351	3.3
137.05983	0.7
137.09593	4.4
138.09943	1.7
145.04930	2.4
145.08580	100.0
146.08876	1.3
148.12047	0.5
149.13271	1.4
150.13536	0.8
151.11169	2.3
151.14809	2.3
152.11475	0.8
152.15117	1.4
155.07001	1.0
166.16733	0.5
173.08083	1.7
175.14803	6.2
176.15140	6.4
185.87112	0.5
191.09129	6.7
193.15866	13.4
194.16188	11.2
211.16901	19.9
212.17238	16.8
231.44693	0.6
254.24251	0.5
257.10202	1.5
259.01981	0.6
275.11404	0.7
299.11221	0.6
317.12183	1.5
335.13406	1.0
506.18729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70182	0.6
67.05499	1.2
69.03416	1.7
69.77088	1.7
70.86906	0.7
71.04983	32.1
72.08138	0.7
81.03412	1.6
85.02891	2.4
85.06534	5.9
93.07043	0.6
95.04948	1.3
97.02885	3.3
109.02880	1.9
109.10151	0.6
113.05991	5.8
120.08054	1.4
127.03896	2.6
127.07539	15.2
127.08421	1.3
131.07018	8.2
137.05962	2.3
145.04919	1.8
145.08575	100.0
146.08937	1.4
167.08563	0.6
173.07970	1.5
177.09094	1.1
185.08118	0.8
186.88264	0.6
191.09114	6.8
222.21144	0.6
232.69844	0.6
257.10141	1.8
314.07529	0.9
335.13110	0.9
344.39227	0.6
435.88654	0.7
457.31473	0.7
474.21005	2.0
503.98959	0.6
507.21881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48069	0.5
55.05504	0.7
57.03433	2.9
58.06596	0.6
58.26682	0.5
69.03407	0.7
70.06573	2.0
71.04980	21.8
71.06585	1.1
73.02890	0.7
75.04460	1.4
83.04959	1.6
84.08146	0.8
85.02891	29.5
86.09688	0.9
95.04964	1.1
97.02883	1.3
98.97540	0.9
103.05449	33.3
107.15346	0.5
107.54061	0.5
109.02835	0.7
111.04411	1.3
126.22158	0.6
127.03864	0.9
129.05450	9.0
131.04904	100.0
132.05229	1.8
137.05962	0.7
147.04324	0.7
147.06479	3.9
148.72702	0.6
163.03905	1.1
163.07513	47.7
164.07893	1.0
164.09163	3.2
177.05527	0.6
183.59325	0.6
202.97130	0.5
209.87350	0.6
262.95013	0.6
309.09882	0.5
506.21579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73847	1.8
57.03423	3.2
69.03416	3.3
70.06574	4.3
71.04979	7.5
81.03419	2.1
81.11680	1.9
85.02894	14.2
103.05448	39.7
112.38209	1.9
120.78064	1.9
123.35757	1.9
129.05489	4.4
131.04910	100.0
133.02873	2.1
153.49104	2.3
156.08061	4.1
163.03922	4.7
163.07506	46.5
169.10338	2.3
173.07506	1.9
174.89038	2.7
177.05531	2.6
184.07611	3.9
189.95290	2.9
230.08107	3.8
240.23518	2.0
267.09280	2.1
345.14972	2.7
507.16559	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	506.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33508	0.3
53.55807	0.3
55.01850	0.3
55.39699	0.3
66.04705	0.4
67.05488	0.5
69.03410	1.1
70.77226	0.5
71.04985	7.1
79.05477	0.7
81.03412	1.0
81.07055	0.5
85.02895	1.3
85.06543	1.2
91.05474	0.7
93.07039	0.5
94.04167	2.7
95.04943	0.9
97.02866	1.0
105.07026	0.3
107.04926	0.8
107.08566	0.4
108.04449	0.4
109.02872	0.5
109.10123	0.4
110.09674	0.4
110.13943	0.3
113.05973	1.4
115.03883	0.3
121.06490	0.5
122.03632	5.7
127.03905	0.5
127.07543	3.5
131.04916	0.4
131.06984	1.4
135.04430	0.3
137.05956	100.0
138.06319	1.8
145.04964	0.6
145.08575	17.1
163.03912	0.7
166.08606	1.0
190.02625	0.5
191.03363	1.5
191.09045	0.9
203.06931	0.4
205.04936	2.3
206.05325	1.2
207.02939	0.7
214.04898	0.3
257.10278	0.3
274.11450	0.7
298.07220	0.3
299.12799	0.3
320.38477	0.3
326.14517	0.6
344.15573	0.3
368.15411	0.3
429.13150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51832	2.8
55.05502	21.0
57.03428	8.4
57.07063	9.3
62.06075	36.6
67.05493	39.4
69.07063	21.1
69.76042	10.4
71.08621	5.5
72.01038	3.0
79.05480	11.3
81.07043	31.8
81.26558	3.3
83.08622	11.8
91.05478	5.5
93.07027	9.7
95.08588	31.3
97.06584	2.9
97.10142	7.5
98.23458	6.7
98.98457	12.3
105.07063	4.4
107.08575	7.3
109.10133	16.1
121.10158	10.3
123.11713	3.7
124.01586	4.3
131.34102	2.8
135.11700	4.4
141.50249	3.2
149.13196	3.1
155.00977	8.2
155.95856	3.8
156.95984	3.8
195.00255	42.3
195.01933	4.4
245.60487	3.2
255.47069	2.9
291.26794	4.8
292.64200	2.9
312.26172	4.3
313.27267	5.9
334.31061	14.1
365.30432	100.0
366.30762	6.1
372.12442	2.9
381.98599	3.5
430.00964	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	506.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90702	0.5
55.05505	0.5
55.78600	0.4
57.25783	0.4
58.06598	0.7
60.07874	0.6
60.08159	7.5
63.86941	0.5
67.05495	1.5
69.07053	0.5
71.07069	0.4
71.07372	4.0
71.42140	0.4
81.07022	0.6
86.09692	33.7
98.98454	3.7
104.10708	3.6
105.07053	0.5
113.83836	0.6
124.99989	22.7
184.07315	100.0
185.07672	1.4
211.07600	0.4
254.05708	0.5
266.36954	0.5
300.51233	0.6
323.25815	0.5
488.31345	1.0
506.32327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.2
57.07059	12.5
67.05489	100.0
68.05856	8.1
69.07040	19.7
69.24998	24.3
69.25404	13.3
74.06959	6.2
79.05476	24.9
81.07043	97.7
83.08617	15.1
88.98331	7.5
91.05448	35.2
93.07030	31.6
95.08591	75.1
99.08073	10.4
101.58887	6.1
105.07020	20.7
107.08572	18.9
109.10106	39.1
119.08569	26.9
121.10089	18.3
123.11684	24.0
133.10120	26.4
135.11639	22.3
137.13232	21.9
137.26411	8.0
147.11667	13.1
149.13255	9.2
151.14801	20.8
161.13254	19.8
184.04895	7.0
217.19501	93.7
229.14328	10.9
235.20522	97.2
260.20834	7.7
281.59915	6.6
309.24176	21.4
337.81433	6.5
401.36618	7.1
474.52554	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	506.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.5
57.03424	6.4
57.07061	6.8
60.08162	17.7
61.02909	6.1
67.05500	47.7
67.93635	3.2
69.07069	17.3
69.07384	4.0
71.07365	5.7
79.05479	19.5
81.07043	55.4
83.08617	11.0
85.02879	4.4
85.06523	4.7
86.09698	55.7
90.39350	4.0
91.05465	12.5
93.07041	16.5
95.08594	52.4
97.02908	5.3
98.98455	4.1
99.08079	4.9
104.10734	85.9
105.06989	9.6
107.08553	10.6
109.10152	16.4
119.08572	8.5
120.08086	14.3
121.10159	10.7
123.11689	11.8
124.99990	31.3
132.12711	3.9
133.10118	14.9
135.11679	10.7
137.13237	14.3
147.11667	8.5
151.14830	10.2
156.38815	3.5
161.13223	9.6
175.14783	5.2
184.07312	100.0
188.20204	3.5
217.19505	52.4
219.14883	4.2
235.20497	52.5
309.24173	23.6
321.31116	4.1
328.25357	3.6
472.03784	4.1
488.31320	4.3
506.32071	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	507.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51049	0.6
60.06878	0.6
69.42481	1.1
69.42896	1.9
70.06538	0.9
72.08143	0.8
73.12823	0.7
81.07017	1.0
84.04469	0.9
85.02859	1.6
86.09663	2.6
102.52097	0.7
109.87870	0.6
114.26717	0.6
120.09258	0.6
153.42456	0.6
182.88985	0.8
213.07312	35.5
214.07724	0.6
229.06815	2.3
245.07657	0.7
315.61560	0.6
315.74417	0.6
317.08398	80.5
318.08841	2.2
472.25836	0.6
507.16803	100.0
507.23178	4.2
508.17023	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	507.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09050	0.7
69.42088	3.4
70.06618	1.0
85.02907	0.7
86.09714	2.8
105.20194	0.9
120.08072	1.1
137.05992	1.1
153.05318	0.9
205.66014	0.8
213.07314	80.3
214.07690	1.3
260.75885	0.7
297.07458	1.8
317.08405	47.1
318.09009	1.2
447.14725	1.4
451.60373	0.8
507.16858	100.0
507.23941	11.0
508.16931	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	507.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26442	1.6
68.29193	1.7
69.27431	3.2
69.27842	7.4
80.85211	1.7
83.04995	1.7
137.05981	2.9
203.05225	2.1
241.15666	5.5
243.04755	5.6
243.17215	7.7
245.06395	5.5
259.16632	20.9
260.16983	1.9
287.03723	44.6
289.05243	49.0
421.21902	3.3
463.23102	24.9
507.21924	100.0
508.22141	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	507.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63066	0.1
55.01848	0.4
55.05484	0.2
55.66651	0.2
59.91007	0.2
63.16671	0.2
67.05499	0.9
68.89859	0.2
68.99767	0.4
69.03400	0.3
69.07070	0.3
71.04987	1.2
71.21167	0.1
71.44454	0.2
78.78147	0.2
79.05473	0.5
81.03342	0.2
81.07043	1.0
83.01339	1.1
85.02871	0.7
91.05477	1.2
93.07050	1.3
95.04920	0.5
95.08578	1.0
96.59258	0.2
97.02869	0.5
103.05443	0.4
105.07030	0.5
106.04124	0.2
107.08559	0.2
107.13542	0.2
109.06506	0.4
109.10145	3.0
119.04980	0.2
119.98165	0.2
121.06487	4.0
121.10123	0.6
123.11663	0.8
127.11179	0.4
131.04904	1.8
133.02788	0.2
134.03606	0.5
135.11664	0.5
137.05945	0.6
143.08551	0.2
147.04379	0.5
149.02319	0.5
149.05965	1.9
153.12688	0.7
159.04393	0.7
161.05920	0.3
162.03090	6.2
163.07495	0.4
165.05405	0.2
165.09132	0.3
171.08202	0.2
177.05417	2.1
179.03320	0.2
189.05490	0.5
190.02580	16.0
191.03113	0.5
191.06999	0.2
193.04942	0.8
196.66180	0.2
198.43401	0.2
199.03839	0.4
199.07585	0.4
205.04930	100.0
206.05263	2.2
207.02731	0.4
207.06450	0.5
217.04808	0.2
219.06496	6.0
221.04431	0.9
227.06958	0.5
229.04935	0.2
231.06541	0.6
233.08055	2.0
243.06416	0.3
245.08139	0.3
246.07617	0.3
247.09612	2.6
257.08136	0.3
259.09641	1.7
261.11148	0.3
271.09583	1.8
273.11148	0.4
275.12732	8.9
276.12720	0.2
285.11218	0.6
287.12668	0.2
327.15848	10.3
328.16251	0.5
345.16910	37.0
346.17282	1.2
485.38440	0.2
507.18726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
55.80324	0.4
57.03434	5.7
57.07069	15.8
61.25106	0.4
67.05496	3.6
69.07057	2.9
70.94447	0.7
71.08626	11.6
79.05469	0.6
81.07043	4.8
83.04945	0.5
83.08611	3.2
83.99930	0.4
85.10175	5.5
89.06008	0.9
93.06998	0.5
95.08590	6.6
97.10139	1.4
103.07556	1.1
107.08553	0.6
109.10143	2.8
115.03664	1.2
117.83497	0.4
120.96643	0.7
123.11757	1.0
166.26328	0.4
171.61162	0.4
174.98534	0.6
176.99216	4.2
195.00273	100.0
196.00627	0.8
212.99994	0.8
239.23685	1.1
257.24765	0.6
269.03906	1.1
313.27335	27.2
314.27573	1.2
353.26797	0.7
404.01303	0.5
415.22092	0.6
489.25891	0.9
507.26801	13.4
507.34161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2703
Annotation	Asn Phe Ala Arg
Peak:m/z	Relative Intensity
54.78726	0.5
55.05501	1.2
57.03435	1.2
57.07069	6.5
67.05502	1.6
68.30479	0.5
69.07056	1.0
69.24626	2.1
71.08627	4.2
81.07050	1.9
83.08608	1.2
85.10168	2.1
86.47947	0.6
95.08588	3.3
97.10173	0.7
98.22674	1.2
100.99244	0.5
107.08633	0.6
109.10168	1.5
114.37856	0.5
115.03687	0.6
117.03634	0.5
129.43279	0.5
133.10106	0.7
133.61711	0.5
176.99213	9.6
195.00272	25.6
225.71741	0.5
258.73114	0.6
266.16174	0.6
269.03976	1.5
313.27316	10.3
353.26743	1.3
415.22122	3.9
433.23248	1.2
447.34399	0.6
489.25674	3.4
507.26987	100.0
507.32877	3.6
508.27319	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	507.2718
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.92296	4.8
52.57808	4.9
55.05508	11.6
57.03424	8.3
58.59507	4.4
60.08689	4.7
61.44837	5.2
63.70341	4.8
67.05499	54.4
69.07058	7.6
70.50147	5.1
70.50481	8.9
79.05476	22.1
81.07047	46.2
83.08606	5.6
86.09684	6.4
90.27322	4.7
91.05481	9.2
93.07033	30.4
94.71809	5.0
95.08596	34.4
98.98463	75.1
105.07014	14.5
107.08582	11.5
109.10170	14.3
117.07079	5.5
119.08595	8.0
121.10131	12.4
129.06999	9.0
142.29108	5.2
146.06035	8.0
147.22855	5.0
149.13300	5.8
155.01059	8.1
157.06503	10.6
173.02084	12.2
184.07365	20.2
201.16238	5.2
261.22058	9.6
335.25745	100.0
426.56561	5.8
508.30734	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	507.2799
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
51.11867	2.1
54.78205	2.1
55.01863	3.5
55.05512	6.6
57.03422	6.4
57.56149	2.3
67.05495	2.6
69.03420	15.1
69.07066	9.9
69.19366	4.6
69.19768	8.9
70.00770	2.5
73.02900	10.8
79.05471	4.3
81.03402	2.7
81.07048	11.2
83.08624	5.8
85.02898	26.6
85.06542	2.4
91.05471	4.6
93.07040	9.3
95.08586	26.1
95.37792	2.1
97.02886	19.4
97.10146	4.9
99.08089	18.1
105.06999	3.0
107.08585	25.9
109.02919	4.7
109.10131	5.4
111.08081	6.3
115.03932	3.8
120.08112	3.9
121.10128	42.8
123.11750	2.3
125.09592	3.6
127.03890	5.9
131.07089	3.2
132.07347	2.3
133.04962	6.4
135.11679	7.4
137.13228	3.5
138.75038	2.0
140.75935	2.2
145.04977	6.9
149.13300	3.4
163.06032	3.1
172.37303	2.0
177.16357	100.0
195.17465	20.9
213.16148	3.3
213.18442	37.8
214.01120	2.3
259.08145	2.7
275.18204	2.4
301.17673	2.5
507.10931	5.3
507.21823	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	507.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44110	2.3
55.05495	6.9
57.07057	2.6
59.00988	2.0
67.05484	4.9
67.43797	2.8
69.03416	6.4
69.07059	18.6
70.26096	2.7
70.26428	4.8
71.04975	10.4
73.02903	3.0
79.05482	4.7
81.03396	2.7
81.07051	20.6
81.87694	2.4
83.08622	3.5
85.02888	6.7
85.06528	4.8
86.09696	23.5
90.45601	2.4
91.05460	5.8
93.07022	7.5
95.04951	3.0
95.08612	11.8
97.02882	5.4
97.06544	3.3
97.10133	3.3
99.08068	5.4
104.14034	2.3
105.07011	5.9
107.08577	8.7
107.61051	2.1
109.10137	8.6
118.50428	3.0
119.08550	3.0
120.08068	4.2
121.10114	10.4
122.03642	5.5
123.11673	6.1
125.09676	2.7
127.03909	3.1
127.07529	4.0
131.07033	2.3
135.04378	4.4
135.11642	4.6
137.05954	100.0
137.13242	2.5
137.34010	2.0
138.06291	51.4
139.11148	5.6
145.02682	2.3
145.08566	15.6
146.08931	7.4
149.13219	6.1
151.07498	4.6
161.05965	2.6
163.03876	9.2
165.09105	3.3
166.08638	2.8
177.16339	6.3
195.09930	2.1
195.17419	5.7
199.18039	4.3
213.08841	2.1
213.18466	8.9
227.17474	2.4
281.11179	3.4
291.26645	2.8
309.27747	4.5
345.10733	4.6
346.58600	2.8
374.88162	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2795
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
53.44110	2.3
55.05495	6.9
57.07057	2.6
59.00988	2.0
67.05484	4.9
67.43797	2.8
69.03416	6.4
69.07059	18.6
70.26096	2.7
70.26428	4.8
71.04975	10.4
73.02903	3.0
79.05482	4.7
81.03396	2.7
81.07051	20.6
81.87694	2.4
83.08622	3.5
85.02888	6.7
85.06528	4.8
86.09696	23.5
90.45601	2.4
91.05460	5.8
93.07022	7.5
95.04951	3.0
95.08612	11.8
97.02882	5.4
97.06544	3.3
97.10133	3.3
99.08068	5.4
104.14034	2.3
105.07011	5.9
107.08577	8.7
107.61051	2.1
109.10137	8.6
118.50428	3.0
119.08550	3.0
120.08068	4.2
121.10114	10.4
122.03642	5.5
123.11673	6.1
125.09676	2.7
127.03909	3.1
127.07529	4.0
131.07033	2.3
135.04378	4.4
135.11642	4.6
137.05954	100.0
137.13242	2.5
137.34010	2.0
138.06291	51.4
139.11148	5.6
145.02682	2.3
145.08566	15.6
146.08931	7.4
149.13219	6.1
151.07498	4.6
161.05965	2.6
163.03876	9.2
165.09105	3.3
166.08638	2.8
177.16339	6.3
195.09930	2.1
195.17419	5.7
199.18039	4.3
213.08841	2.1
213.18466	8.9
227.17474	2.4
281.11179	3.4
291.26645	2.8
309.27747	4.5
345.10733	4.6
346.58600	2.8
374.88162	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2922
Annotation	Ixabepilone  
Peak:m/z	Relative Intensity
56.45511	0.3
67.05496	0.5
69.45425	1.3
79.05472	0.4
86.09663	0.4
91.23061	0.3
92.71452	0.3
92.95520	0.3
104.10732	0.5
131.08653	0.3
184.07368	0.8
420.42337	0.3
507.29202	100.0
508.29431	6.3
508.36255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01865	9.5
55.05502	37.3
57.03429	28.3
57.07068	7.3
61.02929	13.2
64.83422	4.1
67.05497	43.6
69.03426	53.5
69.07069	51.0
71.04980	11.3
73.02917	8.8
75.14507	3.7
79.05498	16.5
81.03413	20.8
81.07046	63.2
83.08612	35.4
85.02892	100.0
85.06561	6.3
87.04484	8.8
87.95991	3.9
89.21935	4.6
91.05491	12.8
93.07034	32.5
95.04936	5.9
95.08591	56.1
97.02884	29.7
97.06553	12.9
97.10174	23.3
99.04450	10.1
99.08101	5.9
105.07035	17.5
107.08610	15.0
109.02879	17.1
109.06493	3.9
109.10134	28.6
111.08080	6.9
111.11723	12.5
111.69854	4.4
119.08582	14.3
120.69890	4.3
121.10136	24.6
123.11718	14.3
127.03885	27.5
129.05470	4.3
131.04906	4.3
133.10130	12.5
135.10779	4.7
135.11662	22.3
137.06015	10.4
137.09505	5.8
137.13220	9.8
139.11241	5.8
145.04904	5.8
147.11688	8.4
149.13237	6.0
151.11205	5.8
151.14758	5.6
153.12772	5.2
153.29338	4.3
161.05991	6.0
165.12872	6.0
178.48235	4.4
179.14398	4.4
205.04927	13.1
217.19402	20.9
235.20518	24.5
251.70233	3.9
253.21599	13.9
260.50290	4.5
309.24170	15.6
327.25195	82.2
345.26352	38.4
388.44040	4.2
445.10181	4.6
460.89764	4.7
507.16531	31.2
507.23273	5.7
507.31375	10.1
508.16812	5.1
525.67242	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	507.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.1
57.07064	11.1
67.05492	29.3
69.07059	41.9
70.05977	7.5
70.06291	3.2
70.06602	3.4
71.04984	6.2
79.05466	16.2
81.07047	100.0
83.08620	16.6
85.02925	16.8
85.06552	15.1
91.05494	13.4
93.07024	30.5
95.04971	8.7
95.08599	64.8
97.02891	5.5
97.06543	9.3
97.10143	4.7
99.08079	15.8
105.07027	10.0
107.08584	32.0
109.06494	4.0
109.10136	35.5
111.08059	22.9
111.11681	15.1
117.07008	3.7
119.08588	9.2
120.08050	3.7
121.10128	17.8
122.06013	9.2
123.11691	25.4
125.09599	4.7
127.03927	4.4
127.11185	5.8
133.02850	10.1
133.10098	5.5
135.11720	16.3
137.05962	12.8
137.09641	4.3
137.13232	22.6
145.10159	4.0
146.60423	3.1
147.11639	6.1
149.13255	31.8
151.07567	4.6
151.14870	4.2
153.11685	3.2
153.12648	15.2
155.14326	4.7
159.11658	3.5
163.14870	6.9
165.09073	5.0
167.14285	7.3
171.13847	4.6
173.15399	4.5
177.16377	4.0
195.13779	4.6
195.17386	3.3
199.13461	3.4
208.65678	3.3
273.25681	3.4
279.26785	10.8
291.26883	15.7
297.27573	3.8
309.27881	39.0
327.28717	5.0
345.29877	9.1
408.06516	3.4
507.21158	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	508.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.5
70.06593	0.7
71.44055	0.5
72.08170	0.5
72.19524	0.4
85.02882	1.0
96.78435	0.4
97.02852	0.6
101.92115	0.4
102.60927	0.4
112.65496	0.4
129.10274	0.9
135.04344	0.4
137.05983	0.8
147.04440	0.6
167.07027	1.4
182.83238	0.5
214.04749	1.4
215.05312	1.0
256.05804	1.4
275.07306	6.5
286.06763	1.4
317.08514	0.5
376.05154	0.6
376.09973	8.9
508.14194	100.0
509.14581	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	508.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38687	0.3
54.75389	0.2
55.98210	0.3
56.16445	0.3
57.89777	0.2
67.05484	0.5
69.07049	0.4
69.49459	0.9
69.49858	0.4
79.05503	0.5
81.07037	0.8
83.08590	0.3
86.09702	0.3
91.05435	0.4
91.36991	0.3
93.07011	0.5
95.04976	0.3
95.08564	0.6
97.68814	0.3
98.31943	0.3
105.07041	0.4
107.08562	0.5
111.07996	0.4
120.08068	0.4
121.59280	0.3
125.02112	0.4
125.25103	0.3
125.51977	0.3
151.00348	0.3
153.05219	0.4
177.16431	0.3
179.14307	0.7
213.07372	0.7
247.34361	0.3
313.08902	0.9
318.09097	0.3
336.10486	1.5
357.11658	0.8
373.11047	2.3
375.12500	0.4
378.11514	2.0
448.15771	7.2
449.15811	0.4
487.45828	0.3
508.17816	100.0
509.17926	4.9
509.24152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05527	1.7
57.03427	2.4
58.99573	6.4
61.02924	1.7
64.75130	1.5
67.05497	3.5
69.03423	5.5
69.07059	2.5
69.14986	6.7
71.04974	2.3
73.02912	1.4
74.37471	1.2
76.02222	13.1
81.03400	2.4
81.07065	7.3
83.04973	2.5
85.02892	16.7
86.99052	5.6
88.03955	1.7
91.05479	3.6
93.07032	3.4
95.04921	1.8
95.08598	12.3
97.02878	4.5
98.22701	3.1
99.04450	2.5
100.02195	4.1
104.09702	1.4
105.00079	10.4
105.07024	9.1
107.08579	13.2
109.02849	2.1
109.06533	2.4
109.10184	2.5
119.08563	6.0
120.08100	1.6
121.06480	1.6
121.10137	4.6
122.02714	100.0
123.03200	1.3
123.04428	1.5
123.08039	7.3
127.03896	3.2
129.10231	1.5
133.10104	8.8
135.11658	9.6
137.05952	4.3
137.09627	3.5
137.13257	8.0
139.98959	1.3
145.04951	2.7
146.02699	2.9
147.11693	2.4
149.05965	1.7
149.09613	4.7
151.07567	3.8
152.07066	1.8
160.58266	1.2
161.09605	4.4
161.13243	9.8
163.11172	2.1
164.03734	1.8
165.09039	1.7
165.12668	3.2
166.29010	1.2
167.10675	4.6
173.31847	1.4
179.10649	16.7
179.14226	7.0
189.12766	6.3
197.11696	52.2
207.13774	33.7
225.14754	6.8
248.05864	2.9
284.07956	5.7
311.10336	1.5
318.08493	1.4
328.15671	2.3
346.16788	42.2
347.12479	2.5
347.16858	1.6
359.16962	10.0
508.16943	20.8
508.24228	9.8
509.17398	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	508.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	24.8
55.94700	15.4
67.05464	45.0
69.03416	49.2
69.07030	25.3
73.02876	22.2
81.07014	39.2
82.52880	16.8
83.08582	32.9
85.02886	63.9
87.00825	33.7
91.05453	23.6
95.08589	52.5
96.31817	14.9
97.02854	54.3
97.10170	25.3
100.80903	15.7
105.01846	27.8
105.07019	23.7
109.02818	17.3
109.10107	38.6
119.08541	19.2
123.11655	21.5
127.03872	43.0
133.04996	20.1
133.10121	38.7
145.04900	18.4
169.43205	16.1
187.08597	15.5
189.16353	70.9
207.17429	100.0
225.18617	28.2
313.21829	17.6
488.47729	19.2
508.30685	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01867	5.9
55.05512	1.4
57.03433	1.1
59.04993	1.5
61.25056	0.6
67.05495	1.7
67.17803	0.5
69.03421	12.0
69.07047	0.9
73.02908	1.3
74.56286	0.5
79.05467	0.9
80.33119	0.6
81.03410	3.8
81.07035	3.2
85.02893	7.0
87.04453	4.6
91.05479	1.3
93.07041	1.7
95.08591	3.3
97.02888	11.6
97.06528	0.9
98.22659	1.1
99.04482	1.1
101.24284	0.6
105.07040	1.3
107.08562	0.6
109.02869	3.2
109.10098	0.7
111.72641	0.5
113.09536	0.7
115.03916	100.0
116.04237	0.9
119.08529	1.1
123.08073	0.7
127.03877	6.0
131.08525	0.6
133.04944	12.6
133.10086	1.2
135.11696	1.0
137.05960	1.7
145.04938	2.8
145.10110	0.7
151.07512	1.5
161.13223	4.2
163.03893	2.0
179.14304	5.3
187.06006	0.6
194.02136	0.6
197.15350	3.2
213.18497	0.6
259.08090	6.8
260.22330	0.6
277.09241	7.6
305.17474	1.1
323.18549	0.9
508.21570	1.7
508.29382	2.0
509.32367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
57.87654	1.5
60.08165	2.8
64.69405	1.6
67.05492	5.9
69.84058	6.3
79.05482	7.1
81.07050	3.9
83.01335	2.1
86.09676	10.2
91.05441	11.5
93.07029	7.4
95.08600	4.8
103.05463	3.1
104.05003	1.9
104.10709	2.2
106.06541	3.7
107.08586	2.5
110.79831	1.6
115.05444	7.1
117.06998	2.6
118.06522	2.5
119.04945	2.7
120.05796	2.3
125.00016	7.2
128.04970	7.0
128.06183	14.6
129.06982	88.2
130.06514	3.1
131.08540	14.6
132.04517	2.0
132.08073	4.5
134.06007	5.7
137.26540	1.6
139.05411	4.9
141.06981	17.1
145.06442	8.6
146.05984	48.5
147.06770	3.8
147.07925	2.3
148.05188	1.7
155.06013	4.0
156.08073	22.6
157.06465	99.2
158.06857	2.2
159.08078	2.6
163.03935	1.9
166.06561	2.0
167.04886	1.7
169.06471	3.9
174.09109	24.0
184.07416	46.5
185.05962	38.0
185.07573	3.0
187.07541	2.3
199.01595	1.9
202.08615	17.6
203.07054	5.6
207.06517	2.3
212.07033	1.8
213.05461	6.0
230.08063	4.3
231.06500	1.9
248.09163	3.7
330.78027	1.9
435.61246	1.9
486.00153	1.8
508.30502	100.0
509.30963	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	508.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	31.0
60.05626	7.4
67.05494	48.7
69.03413	12.6
69.07066	34.0
70.06078	7.4
70.06432	20.7
71.05007	7.3
79.05482	43.2
81.03426	12.8
81.07044	88.6
83.04968	9.2
83.08614	24.0
85.02890	22.1
91.05471	43.6
93.07037	57.8
95.04980	17.4
95.08616	36.6
97.02896	11.9
97.06512	15.8
97.10175	16.0
98.23380	12.7
105.07031	38.2
107.04973	7.8
107.07951	8.8
107.08563	50.2
109.06517	14.0
109.10153	19.5
111.08083	11.7
117.07009	13.0
119.08572	29.5
121.10133	18.9
123.11737	11.7
125.09631	15.4
131.04965	7.1
131.08556	20.3
133.10135	29.4
135.08046	8.2
135.11662	17.2
137.09641	7.2
145.10091	17.4
147.11679	17.0
149.09610	14.3
149.13266	19.1
157.10150	11.4
159.11703	17.2
161.13255	9.2
163.11197	10.1
165.09047	15.9
170.28232	6.8
173.11749	10.9
176.96294	7.1
177.12759	9.8
189.11205	15.6
195.13777	59.9
196.69360	6.4
213.14832	56.3
257.18951	14.4
275.20059	100.0
293.21091	25.5
311.22153	7.0
346.58426	6.4
508.29330	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	508.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17293	10.5
55.05490	47.1
57.07067	21.3
67.05490	49.4
69.07054	54.1
79.05489	28.6
81.07048	50.0
83.08613	28.9
86.09702	31.6
93.07026	27.6
95.08598	52.7
97.10151	27.5
98.98467	13.3
104.10717	60.3
107.08564	16.1
121.10136	40.5
123.11723	12.4
124.99969	14.9
125.09493	9.8
129.06985	32.8
134.09416	10.0
135.11662	35.6
137.13210	10.6
146.06036	22.3
149.13202	11.7
156.08009	13.2
157.06462	22.3
184.07364	66.2
185.06003	20.7
219.21019	53.2
237.22079	100.0
255.23140	24.2
311.25717	78.1
329.26837	27.7
508.30682	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	24.1
57.03402	6.1
57.07067	9.3
60.08143	8.7
67.05488	25.3
69.07053	25.2
69.14051	4.9
71.07330	7.3
72.26377	5.6
79.05469	18.7
81.07043	48.1
83.08604	22.4
86.09684	34.9
91.05447	12.7
93.07012	18.5
94.61469	6.1
95.08593	22.1
97.06531	8.6
97.10155	14.5
104.10731	47.4
107.08569	17.9
109.10159	9.8
115.05327	6.6
119.08553	6.9
121.10142	27.6
124.99982	16.9
128.04907	7.0
128.06177	22.1
129.06987	85.6
131.08565	18.2
131.21451	5.2
135.11670	13.1
141.06963	17.1
145.06458	6.0
146.06001	52.7
149.13275	8.7
155.22850	5.6
156.08090	21.6
157.06479	93.3
159.08183	9.0
163.03922	6.4
167.04636	6.3
174.09151	26.8
184.07385	97.3
185.05905	30.2
202.08615	14.9
213.05502	7.0
219.21051	24.8
237.22107	45.0
255.23120	11.8
311.25809	61.8
323.21921	6.7
329.26840	12.9
508.30191	100.0
509.31100	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	508.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	19.6
57.07062	7.3
60.08155	18.3
66.88250	5.7
67.05483	24.2
69.07047	16.3
79.05470	16.4
81.07046	34.9
83.08602	19.1
86.09697	44.0
93.07032	20.8
95.08591	30.4
98.98441	17.8
104.10726	100.0
107.08562	16.5
109.10139	15.6
121.10126	27.7
124.99986	29.5
128.06136	14.2
129.07002	57.3
131.08508	10.8
135.11642	18.5
146.05952	30.3
149.13275	6.3
156.08029	11.1
157.06487	54.6
174.09134	15.7
184.07350	98.0
185.05972	22.9
202.08513	8.0
219.21004	22.0
237.22107	35.8
255.23125	10.4
311.25726	26.3
329.26761	8.5
336.26190	16.2
350.67682	6.4
351.26129	5.9
490.32947	10.5
508.30951	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77070	0.4
55.01865	1.1
63.10930	0.4
65.03926	0.4
69.03398	0.4
72.63588	0.4
79.05481	1.0
81.07043	1.3
84.04527	0.5
85.02889	1.6
86.09704	4.0
91.05478	0.6
91.51898	0.4
93.07010	1.3
95.08540	0.5
97.02837	0.6
97.06563	0.5
99.04469	0.4
107.08611	0.5
108.04488	0.5
111.26376	0.4
118.24290	0.5
120.08102	5.3
121.10136	3.1
122.78133	0.4
123.11707	0.5
129.07021	0.4
130.16331	0.4
139.81314	0.4
145.04889	0.5
149.09613	0.5
162.05498	0.7
166.08664	0.7
167.10654	0.9
168.06604	0.6
176.07095	0.6
178.04996	1.8
185.07082	0.5
185.10712	0.6
186.09171	0.5
187.05069	1.1
199.08606	2.2
201.06609	1.3
201.10233	1.0
209.10773	0.6
210.09134	0.9
211.08620	0.7
212.10789	0.6
213.06616	2.7
213.10240	1.7
227.08134	4.9
227.11748	1.6
229.09723	1.8
231.07674	2.5
233.16470	1.2
236.77608	0.4
237.10216	1.7
238.08655	0.9
239.08130	0.8
241.09727	2.9
245.09094	0.8
251.08101	0.5
255.07602	5.7
255.11200	3.8
257.09195	1.6
257.12802	1.5
259.10831	0.8
265.09619	2.5
266.08017	0.8
267.07614	1.4
269.09201	4.8
273.08704	3.3
273.11493	0.6
283.10733	10.2
287.10303	1.7
293.09161	3.7
301.11606	2.4
302.11780	0.4
311.10233	23.4
312.10519	1.2
319.12997	0.6
329.11270	36.5
330.11630	1.0
347.12344	100.0
348.12613	3.2
487.34503	0.5
509.16229	5.0
509.23950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77070	0.4
55.01865	1.1
63.10930	0.4
65.03926	0.4
69.03398	0.4
72.63588	0.4
79.05481	1.0
81.07043	1.3
84.04527	0.5
85.02889	1.6
86.09704	4.0
91.05478	0.6
91.51898	0.4
93.07010	1.3
95.08540	0.5
97.02837	0.6
97.06563	0.5
99.04469	0.4
107.08611	0.5
108.04488	0.5
111.26376	0.4
118.24290	0.5
120.08102	5.3
121.10136	3.1
122.78133	0.4
123.11707	0.5
129.07021	0.4
130.16331	0.4
139.81314	0.4
145.04889	0.5
149.09613	0.5
162.05498	0.7
166.08664	0.7
167.10654	0.9
168.06604	0.6
176.07095	0.6
178.04996	1.8
185.07082	0.5
185.10712	0.6
186.09171	0.5
187.05069	1.1
199.08606	2.2
201.06609	1.3
201.10233	1.0
209.10773	0.6
210.09134	0.9
211.08620	0.7
212.10789	0.6
213.06616	2.7
213.10240	1.7
227.08134	4.9
227.11748	1.6
229.09723	1.8
231.07674	2.5
233.16470	1.2
236.77608	0.4
237.10216	1.7
238.08655	0.9
239.08130	0.8
241.09727	2.9
245.09094	0.8
251.08101	0.5
255.07602	5.7
255.11200	3.8
257.09195	1.6
257.12802	1.5
259.10831	0.8
265.09619	2.5
266.08017	0.8
267.07614	1.4
269.09201	4.8
273.08704	3.3
273.11493	0.6
283.10733	10.2
287.10303	1.7
293.09161	3.7
301.11606	2.4
302.11780	0.4
311.10233	23.4
312.10519	1.2
319.12997	0.6
329.11270	36.5
330.11630	1.0
347.12344	100.0
348.12613	3.2
487.34503	0.5
509.16229	5.0
509.23950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80767	0.6
55.01867	1.1
55.85982	0.7
65.03932	1.5
67.05490	1.4
76.33633	0.6
79.05492	4.0
81.07053	1.0
87.24820	0.7
91.05466	15.2
93.07035	1.3
94.04188	4.4
95.04957	3.2
95.08519	0.6
98.39604	0.6
103.05455	3.9
105.04515	0.9
105.07002	7.5
105.46217	0.7
107.04952	7.6
107.08575	1.1
108.05733	0.9
109.06493	2.5
111.04388	1.0
115.05421	6.4
117.07018	3.9
118.04131	1.3
119.04925	8.3
119.08589	0.8
121.02830	0.7
121.06503	5.9
122.03624	6.6
123.04388	0.8
123.08047	2.3
125.05991	0.7
128.06209	3.2
129.06999	8.9
131.04929	7.2
131.08537	2.1
132.05695	1.1
133.02806	1.3
133.06494	2.7
133.10135	0.8
134.03535	0.8
135.04434	1.0
135.07994	3.5
136.05208	2.4
137.05962	84.9
138.06300	1.5
141.06946	1.4
143.04924	3.0
143.08525	0.9
144.05682	1.1
145.06470	3.4
146.03622	2.8
146.07254	4.7
147.04385	2.4
147.08025	2.4
148.05177	4.5
149.05948	4.8
149.09583	1.8
151.03857	3.0
151.07523	35.4
155.06006	1.1
157.06473	5.0
159.04472	0.7
159.07982	1.4
160.05280	1.5
161.05962	100.0
161.09590	19.8
162.06339	3.1
163.07524	7.7
165.05653	0.8
165.06946	3.1
165.09091	3.4
167.07065	1.4
169.06439	1.0
173.05959	1.4
174.06790	4.9
175.07530	20.5
177.05432	1.0
177.06924	0.9
177.09137	4.7
178.07806	1.1
179.07072	1.2
179.08595	2.1
180.28844	0.7
181.06462	2.5
182.07224	1.0
185.05969	1.1
187.07570	2.0
189.07272	1.7
189.09079	52.7
190.09373	1.1
191.06978	1.4
191.08556	1.4
193.06488	1.6
194.07309	1.9
195.08066	2.3
195.10132	15.9
199.07553	0.9
202.07858	1.0
203.08464	0.9
205.06436	3.1
205.08363	1.0
206.07155	1.8
207.08229	3.0
207.10129	61.7
208.10561	1.6
209.06020	1.1
210.06763	1.6
211.07486	1.2
212.08258	0.8
213.09131	1.5
217.10036	0.8
218.07294	1.2
219.07974	2.8
219.10014	1.0
220.08755	1.4
221.06000	3.3
221.09569	1.4
222.06712	2.3
222.15742	0.7
223.07608	2.4
223.11246	0.8
224.08250	1.9
225.09140	3.4
227.06921	1.6
233.05920	1.9
233.09631	1.1
234.06693	1.9
234.10292	1.0
235.07433	3.5
236.08340	1.8
237.05493	1.0
237.09074	3.5
238.06099	1.4
239.07024	2.0
239.10689	0.9
241.08604	2.0
245.05983	1.0
245.09557	1.5
247.07527	2.4
248.08269	2.0
249.09062	4.7
250.06204	1.9
251.06998	2.9
251.10594	1.8
252.07838	1.6
253.08560	4.5
255.06488	1.6
255.10159	1.4
255.62868	0.8
259.07538	0.9
261.05914	0.7
261.08945	1.6
262.06219	1.7
263.06909	1.0
263.10785	0.9
264.07697	1.4
265.08530	11.2
266.09271	1.2
267.10162	3.8
268.07474	1.5
269.08075	2.5
269.11591	1.1
270.08844	2.8
273.08920	0.8
274.09949	0.9
277.08569	6.4
277.11984	1.4
277.18045	0.7
278.09216	1.0
279.10165	3.1
280.07495	1.0
280.10715	1.1
281.08133	2.2
282.08813	1.4
283.09613	5.2
284.10452	1.3
285.11249	8.1
287.12769	1.1
291.10132	1.8
293.08124	1.6
293.11514	0.9
294.08847	1.5
295.09427	3.8
296.10312	1.7
297.11133	12.8
298.12009	1.0
299.12827	3.5
305.11758	2.5
306.12381	1.0
308.10513	1.1
309.11188	5.5
310.12088	0.9
311.12772	14.2
313.10632	0.9
317.13821	2.4
323.12897	3.7
325.14285	1.3
327.12219	1.1
329.13943	1.4
337.14297	11.3
341.13760	2.2
343.15518	1.6
349.14267	2.1
355.15414	9.3
367.15302	4.5
387.76047	0.7
429.17285	1.2
433.16064	1.0
435.18057	0.7
447.17990	1.3
461.19116	1.3
465.19159	0.9
470.67468	0.8
473.19781	0.8
479.20551	4.7
491.20343	1.5
492.93237	0.7
509.21228	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.20386	0.7
65.03898	1.0
66.04733	0.8
67.05503	1.5
69.21306	3.4
69.21737	1.3
75.30099	0.7
79.05473	3.4
79.90311	0.9
81.07056	1.5
91.05467	10.5
93.07030	2.4
94.04177	3.4
95.04956	2.2
95.08610	1.1
98.23497	0.8
103.05436	1.8
105.07014	2.9
106.84019	0.9
107.04939	2.2
107.08609	1.3
109.06494	2.3
115.03938	2.5
115.05422	3.2
117.06989	2.2
119.04927	5.3
121.06481	3.8
122.03616	7.9
123.08047	2.9
128.06157	0.8
129.06976	3.2
131.04939	2.9
133.06479	0.9
135.04430	0.9
135.08031	2.3
136.05154	1.8
137.05957	100.0
138.06267	1.8
143.04907	1.0
145.06430	1.7
146.03589	1.4
146.07176	0.7
147.04391	2.4
149.05969	2.0
149.09573	1.5
151.03883	2.1
151.07518	41.5
152.07828	1.1
157.06482	2.7
159.11731	0.8
160.05188	1.2
161.05963	13.5
161.09566	1.3
163.03885	2.6
163.07478	3.7
165.06984	2.0
165.09094	1.9
167.07130	1.0
167.08582	1.3
167.10652	0.9
174.06712	1.7
175.07492	6.0
177.06937	0.9
177.09076	5.8
178.07715	1.0
179.08517	2.0
181.06496	2.0
187.07516	3.1
189.09088	7.2
191.08418	1.0
193.06660	1.1
193.08472	0.9
193.10150	0.9
194.07314	1.0
195.08255	1.6
195.10135	28.0
197.06030	0.8
199.07466	0.8
205.06461	3.3
205.08379	1.3
207.08165	1.6
207.10143	3.7
208.08646	1.0
209.09601	1.7
210.06711	1.5
213.57584	0.8
217.09990	0.8
219.08008	1.8
221.06009	1.7
221.09375	1.1
222.06693	2.7
223.07394	1.1
224.08301	1.3
225.08980	1.6
226.06290	0.9
233.05890	2.0
233.09277	0.8
234.06700	1.9
235.07494	2.6
236.08287	1.3
237.05342	1.0
237.09062	6.9
238.06261	1.0
239.07062	0.9
239.10497	1.8
241.08519	1.0
245.09685	1.1
249.09039	2.4
250.06268	0.8
252.07832	0.8
253.08551	4.1
254.09395	1.0
261.09180	1.6
264.07587	0.9
265.08508	12.9
266.09183	1.7
267.06424	0.8
267.10089	2.5
269.08041	1.4
271.09506	0.8
273.09006	1.1
277.08527	5.4
277.12146	1.0
279.10123	1.6
281.08029	1.2
282.08801	0.8
283.09555	4.5
283.93533	0.8
284.10376	1.2
285.11102	10.0
291.10123	0.9
295.09537	1.4
296.10413	1.1
297.11154	20.5
298.12021	0.9
299.12781	2.8
305.11676	2.7
309.11133	2.6
311.12732	12.7
317.13828	6.0
323.12680	3.2
325.14114	0.8
337.14334	3.3
341.13788	2.0
343.15472	2.3
355.15359	1.7
403.15353	0.9
447.18231	1.1
461.19281	1.9
479.20596	3.0
491.20767	1.7
509.20477	1.4
509.31985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81286	2.1
52.97253	1.8
55.01883	2.0
65.03952	4.1
69.03425	3.0
69.60796	8.3
79.05489	6.4
81.07056	3.9
85.02901	2.8
91.05467	21.9
93.07037	3.7
94.04178	4.0
95.04962	5.5
95.08614	2.0
103.05436	5.8
103.11970	1.6
105.07024	11.9
107.04946	7.8
107.08607	3.5
109.06536	3.9
113.22182	1.8
115.05444	7.5
119.04929	11.4
121.06513	7.9
121.10107	1.8
122.03656	8.4
123.08064	4.7
128.06230	4.4
128.11513	1.8
129.06972	12.0
131.04060	1.7
131.04901	9.3
131.08536	3.9
133.02896	2.5
133.06474	5.1
135.04385	3.7
135.08080	3.3
136.05231	3.4
137.05965	100.0
143.04907	2.4
145.06519	6.0
146.07259	5.9
147.04401	5.1
149.05966	7.9
149.09604	2.1
151.03922	6.2
151.07526	59.6
157.06479	5.5
159.08083	3.7
161.05969	89.2
161.07339	4.3
161.09602	19.4
163.07498	6.9
163.11243	2.3
165.06985	3.3
165.09087	4.9
167.07071	2.3
170.83124	1.9
174.06737	7.0
175.07515	21.1
177.05486	2.5
177.09103	8.3
182.07150	2.0
187.07518	3.8
189.09082	52.3
191.03331	10.4
191.07050	4.7
195.08319	2.8
195.10103	15.4
205.04846	2.1
207.03156	1.9
207.08185	2.9
207.10136	51.2
209.11839	2.9
210.06657	2.3
211.07558	2.3
213.09129	4.5
219.08084	4.7
221.05917	3.1
222.06703	2.9
223.07507	2.4
225.09035	4.3
227.10666	2.4
235.07576	4.5
237.09111	5.0
249.09135	6.8
251.06935	3.1
251.10703	4.3
253.08559	5.7
255.10182	2.8
264.08002	1.9
265.08560	10.2
266.09201	3.1
267.10120	6.1
269.08090	3.1
270.08835	2.7
271.09680	4.2
273.11224	2.3
277.08707	9.0
277.11523	1.9
278.09320	1.9
279.10153	4.2
281.07996	2.6
283.09634	8.5
285.11209	10.6
291.10120	3.6
293.11691	2.9
294.09009	2.3
295.09726	4.3
296.10190	2.3
297.11200	16.3
299.12906	4.6
309.11142	8.7
311.12732	22.9
313.10687	2.3
323.12796	9.6
325.14435	2.7
328.13025	6.1
329.13779	6.3
337.14294	16.5
341.13977	2.6
349.14301	5.1
353.13849	4.7
355.15329	11.8
364.74002	2.2
367.15381	6.2
371.14777	4.8
433.16479	1.9
461.19727	2.1
479.20667	6.2
509.20282	9.6
510.25446	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	509.217
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.8
69.03422	1.1
79.05486	4.9
81.07066	2.2
85.02895	1.0
86.24265	0.9
91.05470	19.6
93.03465	1.1
93.07035	1.9
94.04186	3.0
95.04957	3.6
103.05468	3.5
105.07022	6.4
107.04934	6.1
107.08579	2.6
109.06517	3.7
115.05417	5.7
116.06237	1.6
117.06998	3.1
118.04073	1.3
119.04955	7.5
121.06488	5.8
122.03641	8.2
123.08073	3.8
125.05996	1.2
128.06212	4.3
129.06996	9.7
131.04912	7.4
131.08549	4.0
133.06483	2.6
133.10101	1.8
135.04382	1.4
135.08066	3.1
136.05206	1.6
137.05960	100.0
138.06277	1.2
143.04921	3.6
144.05696	1.8
145.06470	3.7
146.03598	1.7
146.07245	2.6
147.04395	2.9
147.08041	3.2
148.05208	2.9
149.05943	6.1
149.09673	1.8
150.06776	1.7
151.03917	2.7
151.07529	44.2
157.06470	6.5
159.08040	1.9
160.05167	2.2
161.05959	74.5
161.09578	14.6
162.06345	2.5
163.07545	9.1
165.07030	2.1
165.09085	2.6
167.07120	1.1
167.08517	1.4
173.05997	1.2
174.06726	5.9
175.07533	27.4
177.09023	5.3
178.07771	1.3
179.08524	2.5
181.06516	2.4
187.07506	2.5
189.07222	2.0
189.09081	32.3
190.07750	1.8
191.06989	1.7
191.08542	2.1
194.07274	2.4
195.08093	3.0
195.10117	21.1
197.09644	1.1
199.07614	1.3
205.06519	3.2
205.08450	1.2
206.07230	1.4
207.08070	3.8
207.10115	30.9
209.05984	1.2
209.09590	2.3
211.07483	1.4
218.07263	1.8
219.08011	5.0
219.10089	1.6
220.08792	1.2
221.06007	4.3
221.09546	1.9
222.06744	2.9
223.07666	2.3
225.09068	1.2
231.07990	1.2
233.05984	2.3
234.06761	2.8
235.07552	4.5
236.08401	1.2
237.09087	6.6
238.09909	1.2
239.06967	2.4
239.10654	2.8
241.08479	1.9
247.07463	2.6
248.08342	2.2
249.09013	6.6
250.06154	1.5
251.07080	2.6
251.10677	3.7
252.07840	2.0
253.08481	6.2
255.06458	1.9
255.10201	1.8
259.07394	1.1
261.09033	1.5
263.07077	1.4
263.10629	1.7
264.07791	1.3
265.08569	12.1
265.11481	1.4
267.06635	1.2
267.10162	3.0
269.08090	2.2
270.08865	3.6
277.08569	8.2
277.11658	2.1
278.09146	1.7
279.10165	4.1
281.08035	2.1
283.09695	6.1
283.12872	1.4
284.10291	1.4
285.11115	9.9
291.10181	2.2
295.09714	3.6
296.10281	1.5
297.11115	12.9
299.12692	6.5
305.11761	3.4
308.10281	1.8
309.11249	6.3
311.12744	16.8
313.14597	1.8
317.13785	3.6
323.12793	7.7
327.11978	1.6
329.13809	2.2
337.14273	14.1
341.13931	2.0
343.15546	2.0
347.18393	2.0
349.14294	3.3
355.15445	11.9
367.15369	6.1
369.14813	1.4
479.20419	3.2
509.21405	5.2
509.29068	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01864	0.9
55.05492	3.4
57.03411	1.0
59.21714	0.7
62.25053	0.7
67.05503	5.3
69.07053	3.1
69.19022	2.0
69.19443	3.2
71.04968	1.7
77.21870	0.7
79.05465	4.6
81.07043	9.8
82.07368	1.1
83.08588	1.2
83.56996	0.7
85.02887	1.1
91.05468	3.6
91.21761	0.8
93.07022	6.7
95.04942	2.8
95.08610	5.9
96.08947	1.6
97.02895	0.9
97.06531	1.7
97.10152	1.2
99.20927	0.9
105.07015	5.1
107.04953	1.9
107.08578	4.3
109.06508	1.6
109.10142	1.7
109.56969	0.8
111.08125	0.9
115.03922	5.4
119.08591	3.9
121.10107	2.5
125.09602	0.9
131.08546	1.5
133.10104	2.7
135.11687	1.3
145.10120	1.2
147.11662	1.4
152.07069	2.0
161.13239	3.0
162.13600	2.3
165.09122	1.0
175.04288	0.8
179.14314	4.1
179.43008	0.8
180.14673	4.1
194.45488	0.8
203.05266	2.1
243.04697	2.7
245.06273	7.5
248.56493	1.0
261.18268	2.4
271.04208	1.2
287.03662	22.9
289.05228	66.5
290.05560	1.1
423.23450	1.1
447.23511	1.7
459.26730	0.8
465.24536	22.7
491.22263	9.6
507.96130	1.0
509.23462	100.0
510.23853	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	509.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05464	1.0
57.90821	0.7
64.04134	0.7
67.05487	0.9
69.07043	1.0
69.25301	3.4
81.07016	1.5
81.63901	0.7
91.05389	0.6
93.06996	2.0
95.08562	0.8
96.25485	0.6
105.07001	1.1
107.08546	1.2
119.08570	1.5
121.10074	0.7
135.11655	1.0
203.05231	3.0
217.57971	0.7
227.05244	1.0
229.03140	0.9
243.04800	1.4
245.06319	8.2
261.18204	1.2
271.04272	1.3
279.28302	0.6
287.03693	13.4
289.05258	100.0
290.05585	1.5
423.23328	1.1
443.64679	0.6
447.23080	0.9
451.65616	0.7
465.24609	12.4
486.21191	0.7
491.22482	6.8
509.23544	74.8
510.23975	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	509.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63944	0.2
70.72548	0.4
70.72867	0.3
83.11908	0.2
86.32627	0.2
98.97222	0.2
101.51409	0.2
108.83482	0.2
160.49594	0.2
185.04181	0.5
258.77667	0.2
304.24350	0.3
304.73953	0.2
352.38123	0.3
360.54880	0.2
509.27124	100.0
510.27539	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	509.2717
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
63.02470	0.5
63.83040	0.5
64.16539	0.5
69.91322	0.9
69.91692	1.1
76.47945	0.5
79.05494	0.5
85.22805	0.5
98.22684	0.7
108.70927	0.4
203.05347	1.1
205.04880	0.6
216.45453	0.5
226.71616	0.6
237.86398	0.7
250.65665	0.5
283.44507	0.5
341.06021	0.6
367.83951	0.6
415.35309	0.6
491.07904	0.7
509.27158	100.0
510.27411	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	509.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27710	3.3
55.05503	8.6
57.03424	8.3
67.05505	31.2
69.07061	12.8
79.05487	10.7
81.07046	31.7
83.08628	8.1
86.88263	3.1
91.05467	7.3
93.07037	10.1
95.08610	23.8
97.10193	5.2
98.98453	54.7
107.08559	4.9
109.10139	11.9
111.04442	4.9
119.08614	3.2
121.10146	4.3
123.11684	7.7
133.10168	5.8
151.03847	3.1
155.01004	4.8
173.02098	10.7
184.07362	5.7
213.05188	3.7
227.06815	8.1
228.07448	4.7
242.05527	3.4
255.06453	7.9
256.06805	6.9
257.04514	3.8
272.06656	3.8
273.07300	7.8
287.09171	8.1
288.09525	9.1
301.06891	4.1
315.08536	34.8
316.08954	41.4
317.09702	10.6
337.27322	82.0
338.27762	4.0
439.21091	17.6
440.21478	100.0
441.22278	23.2
509.28488	12.0
509.34467	8.9
509.41122	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	509.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.9
60.04946	0.9
61.62961	0.7
61.93682	0.7
67.05489	1.9
68.46877	1.0
69.07070	1.3
71.33747	1.2
74.91628	0.7
79.05467	1.4
81.07069	2.2
83.04987	0.9
84.66660	0.9
85.02917	1.4
85.58725	0.8
89.67054	0.7
91.05450	1.2
93.07056	1.8
95.04981	1.2
95.08614	1.9
97.02898	0.9
97.06491	0.7
105.07080	1.2
107.08582	1.3
109.10128	1.5
121.10139	1.4
123.05343	1.4
123.11671	1.3
133.10124	0.9
136.59581	0.9
137.06026	1.6
141.20341	0.8
145.93794	0.8
149.13309	0.8
151.04753	11.8
151.07524	0.9
152.03185	7.6
165.09116	3.0
166.09453	1.1
169.05823	10.1
181.10191	2.8
210.14867	0.8
277.15784	0.8
284.77066	0.8
362.26672	5.8
363.24979	4.9
381.26028	4.3
491.31198	6.2
492.29456	2.3
496.77426	0.9
509.32007	100.0
510.32590	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	510.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01855	2.5
57.03423	0.7
60.04509	4.1
65.03924	3.6
67.05482	1.8
69.03410	1.5
70.06600	0.9
70.55256	1.2
73.02903	0.9
75.04471	3.6
77.03922	1.1
78.04690	3.5
79.05488	2.6
79.71157	0.5
81.03395	0.8
84.08075	0.6
85.02886	5.5
87.04476	0.7
88.03995	0.6
89.03899	1.3
89.06007	1.2
91.05466	24.9
93.03389	12.2
93.07025	6.2
95.04948	6.1
95.08577	0.9
97.02854	1.9
97.06520	2.6
103.05464	4.3
105.04494	1.9
105.07016	2.2
106.04156	28.0
107.04939	1.9
107.08582	1.7
109.02830	0.6
109.06496	1.1
115.03878	1.0
117.03352	1.1
119.04911	4.1
120.05657	0.7
120.08115	0.6
121.06487	31.2
121.10120	1.8
122.07291	0.7
123.04417	1.3
123.08028	0.7
124.05170	1.1
125.05975	8.0
127.03938	0.7
131.04880	0.8
131.05925	0.7
133.02809	0.8
133.06485	0.7
134.03604	4.3
135.04349	0.7
135.05998	0.6
135.08018	2.1
137.05956	8.5
138.06763	1.3
139.07494	1.8
145.01486	0.5
145.02740	1.2
147.04405	4.3
148.05122	1.7
149.05957	43.0
150.06369	0.7
151.07489	3.0
152.06886	1.0
152.71948	0.6
153.05447	2.1
153.09079	11.8
161.05959	1.3
161.32637	0.6
163.03978	0.7
163.07498	5.2
166.06235	1.6
167.06996	0.7
168.99510	3.1
174.41939	0.6
177.05438	23.0
178.00816	0.8
179.06955	1.6
180.07928	0.7
181.08562	22.7
181.12065	1.1
191.06967	1.4
193.03168	6.4
199.09669	1.1
209.08054	100.0
210.08485	2.6
240.03172	1.6
257.87988	0.5
258.04205	0.6
316.74036	0.6
330.26352	2.5
339.12167	1.6
348.09064	1.2
348.27264	1.4
432.54312	0.6
492.31604	1.4
510.13629	2.1
510.23996	0.7
510.32257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.65492	0.7
55.01858	1.3
57.03427	0.7
60.04520	4.7
64.63417	0.8
65.03933	2.6
67.05481	2.2
69.03413	1.6
69.44604	0.9
69.44997	2.0
70.06544	0.8
73.02894	0.7
75.04465	2.5
78.04697	3.4
79.05491	1.7
81.03371	0.9
81.07043	1.4
83.42837	0.6
85.02903	4.1
89.03908	1.2
89.05980	0.8
91.05468	20.8
93.03402	9.3
93.07040	6.8
95.04976	5.6
97.02882	1.3
97.06511	2.4
98.23420	0.8
103.05451	6.0
104.52791	0.7
105.04503	2.1
105.07053	1.5
106.04161	27.8
107.04991	1.0
107.08519	1.0
109.10245	0.6
111.04380	0.8
113.93821	0.7
116.82035	0.6
117.03348	1.5
117.06978	0.8
119.04976	4.1
120.08138	1.0
121.06490	25.5
123.04418	1.2
123.08092	1.4
125.05968	6.9
127.03905	0.9
131.04906	1.3
133.02826	1.4
133.06465	1.2
134.03613	3.4
135.04395	1.1
135.08076	1.4
137.05937	8.0
139.07489	2.9
145.02858	1.0
145.04944	0.8
146.06018	0.8
147.04376	3.8
148.05145	2.0
149.05963	42.2
151.07521	2.1
152.07050	0.9
152.08209	0.7
153.05429	1.9
153.09088	12.8
161.05916	0.9
163.07507	4.7
163.11249	0.7
165.05484	0.9
166.08601	1.1
167.07059	1.1
168.99535	2.1
177.05447	22.4
178.00714	1.0
179.06989	1.6
181.06972	1.1
181.08571	22.1
181.12199	0.7
191.06950	1.6
193.03177	7.2
199.09512	0.8
209.08058	100.0
210.08296	1.4
301.11755	0.9
330.26282	3.1
339.12137	1.3
348.03748	0.6
348.27472	2.3
356.05206	1.0
492.31860	1.1
510.13315	2.4
510.31461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.9
61.02913	2.5
65.03934	20.5
69.03406	9.4
70.06582	3.5
71.43724	2.3
72.16910	2.1
78.53178	1.9
78.95678	2.1
81.03396	2.8
85.02896	38.3
86.09692	5.0
91.03922	2.7
93.03391	14.4
93.13653	1.9
97.02868	5.3
109.02881	4.7
110.03609	4.1
111.04424	41.0
123.56832	1.9
123.75848	2.0
125.05975	31.7
127.03883	10.5
128.74518	2.2
135.84558	2.3
145.04935	12.1
151.03893	37.1
151.05020	5.0
163.03889	5.4
163.05992	13.9
169.04942	100.0
177.05736	2.6
181.04883	14.4
334.05408	2.0
510.13342	4.8
510.30475	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	510.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.2
61.02887	0.4
69.03416	0.4
71.04982	14.0
71.14173	0.5
75.04436	0.4
78.04686	1.9
79.05482	0.6
83.04942	0.8
85.02892	15.2
87.04471	0.5
95.04958	0.4
97.02893	0.6
99.04436	0.4
102.70215	0.3
106.04144	1.2
111.04420	0.4
123.04408	5.0
124.05188	1.7
127.03891	0.5
129.05467	4.2
137.05989	0.5
144.06577	0.4
146.08083	0.5
147.06509	2.1
151.03888	0.7
152.04672	1.2
162.07553	0.5
164.09146	1.0
167.07010	100.0
168.07356	1.6
180.08708	0.5
235.13379	0.4
256.21426	0.4
277.10684	0.5
282.42664	0.4
349.09000	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	510.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47518	1.3
51.24911	1.1
51.69674	1.3
53.78955	1.8
54.29229	1.2
54.85119	1.4
55.01867	3.1
55.05518	3.7
67.05491	4.1
69.07053	3.9
71.43728	1.7
79.05489	5.5
81.07050	23.6
83.04961	3.1
83.08614	2.8
86.09685	3.4
91.05468	3.2
93.07036	5.8
95.04939	1.4
95.08592	6.3
98.98430	1.8
100.74738	1.3
104.10718	6.8
105.06982	4.1
107.08570	4.2
109.06499	8.9
109.10135	4.3
111.04427	13.1
111.08089	1.6
117.07001	2.4
118.06494	1.4
119.08572	5.2
121.10109	3.3
123.08098	1.7
123.11704	2.8
124.99995	3.7
125.05982	4.0
129.07051	1.6
130.06490	1.9
131.08556	2.9
133.10132	4.5
135.07997	2.3
135.11681	4.7
137.05959	100.0
137.09566	2.3
147.11682	6.3
149.09607	3.3
151.07481	3.1
157.10104	2.5
161.09590	7.1
161.13268	2.9
163.11089	2.6
165.09120	4.0
173.13239	1.5
174.99718	1.3
175.11154	4.0
184.07323	7.7
191.03212	1.5
203.17986	6.3
213.16342	2.5
221.18892	3.5
231.17352	7.6
249.18552	5.0
277.17935	51.2
295.18903	9.2
320.22125	1.6
351.21625	52.6
368.14658	1.4
369.22656	30.2
492.24069	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
54.98669	1.4
55.01859	3.9
55.05497	4.5
57.03420	5.3
57.07066	2.1
59.04993	14.9
60.04506	3.7
61.02923	10.3
67.05508	7.2
69.03061	2.0
69.03419	22.0
69.07063	2.2
70.06573	1.6
70.72060	2.2
70.85790	1.4
71.04987	16.0
73.02914	3.8
79.05479	9.7
81.03400	8.7
81.07050	34.1
81.07507	3.3
85.02895	100.0
87.04436	2.7
91.03929	3.8
91.05482	5.5
93.07043	17.7
95.04947	5.1
95.08599	5.4
97.02894	27.6
97.10178	2.4
99.04426	4.4
103.46413	1.3
105.07018	5.0
107.08578	15.5
109.02866	8.4
109.06501	13.1
109.10152	28.0
111.08096	9.6
121.10156	2.6
123.08070	2.0
123.11691	37.3
127.03889	20.5
131.08542	2.8
133.10112	15.2
145.04942	32.1
151.11165	97.6
152.11491	1.9
153.12717	2.9
163.06015	12.5
163.11198	2.1
169.12213	30.7
178.05028	5.5
206.04442	9.7
280.25494	1.5
295.15256	2.4
313.16541	7.7
325.11154	4.5
330.26404	2.2
331.17416	8.2
508.60590	1.8
510.31464	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98112	1.5
55.05515	1.5
55.96427	1.5
56.14494	1.5
56.27396	1.3
57.03417	1.4
58.06607	1.7
58.54436	1.7
61.02897	2.5
67.05493	2.6
68.80751	1.5
69.03447	2.2
69.07068	1.6
70.06579	4.4
73.02901	4.0
79.05500	5.1
79.90987	1.7
80.84796	1.7
81.07031	2.6
85.02889	7.2
86.09680	2.7
87.39096	1.5
91.05455	2.1
93.07040	8.0
95.04974	3.6
95.08584	2.9
97.02890	6.5
101.40437	1.7
105.07007	3.5
107.08585	5.1
109.06500	2.2
109.10146	5.2
110.05997	1.6
110.07119	2.9
115.03934	1.7
119.08562	3.6
121.10130	77.2
122.10421	2.0
125.05986	3.3
127.03868	1.8
128.97734	1.6
130.68300	1.6
135.07983	2.1
135.11682	6.2
136.07607	1.8
139.11156	2.3
145.00807	1.5
145.10071	1.9
151.11179	2.2
163.11162	10.5
169.12314	2.0
181.12209	56.1
181.13789	3.3
182.12788	1.6
199.13271	100.0
200.13506	3.3
209.15279	2.6
215.01260	1.7
242.48160	1.5
270.92426	1.7
295.05832	2.6
313.06714	1.8
313.11349	2.5
437.04672	2.2
510.17862	20.0
510.24500	3.3
511.18320	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	510.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.10416	2.5
57.03415	3.4
60.07427	1.8
67.05495	2.1
69.03416	12.1
69.07059	8.7
70.06605	3.0
72.08138	3.1
79.05495	3.4
81.07043	4.3
83.04980	4.9
84.08147	2.5
85.02882	11.0
86.09723	5.0
87.04479	6.3
88.95393	1.9
91.05476	7.3
93.07053	6.0
95.08594	6.7
97.02873	12.7
97.06519	15.7
99.08093	1.9
105.07029	2.5
107.08584	8.0
109.10162	8.2
111.08044	3.4
115.03928	9.5
119.04913	3.6
119.08612	3.8
121.06516	9.5
121.10154	7.2
123.08088	5.7
125.05978	5.4
133.04971	7.5
133.10130	2.1
135.08043	3.3
135.11725	3.9
137.09619	6.3
145.05019	2.2
145.10121	2.7
149.06000	3.0
151.11198	3.0
163.11163	15.9
167.07106	4.4
175.59123	2.0
177.05450	3.6
181.08646	5.5
181.12215	89.9
182.12552	3.1
191.06963	1.9
199.13263	100.0
203.12465	1.8
205.08669	3.8
207.06544	3.0
209.08061	6.4
260.46466	2.3
312.10535	4.4
313.07239	2.3
329.11319	2.9
347.12543	3.7
348.12668	10.1
370.79755	2.7
385.50305	2.9
510.16788	10.1
511.16583	6.2
523.04755	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3543
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05498	0.8
56.05016	1.5
56.15478	0.3
57.03417	1.0
57.07069	3.9
58.06601	1.5
59.07365	0.5
60.08154	17.0
67.05486	1.2
68.30999	0.3
69.07034	0.6
71.07364	6.0
71.08617	2.6
75.04436	0.3
81.07056	2.0
83.08591	1.3
85.10160	1.2
86.09691	50.5
87.10018	0.3
95.08599	2.3
97.10165	0.5
98.98454	4.1
104.10726	100.0
105.11038	0.9
105.83742	0.3
105.98598	0.4
109.10122	0.8
115.27072	0.4
124.99982	28.5
132.07567	0.4
143.01074	0.4
163.01530	0.8
166.34633	0.3
173.23265	0.4
184.07312	91.9
185.07678	0.8
210.70459	0.3
211.94740	0.3
239.23691	1.0
258.11047	1.1
276.71753	0.3
313.27280	2.7
321.39032	0.4
327.28854	1.5
338.27634	1.2
433.27078	0.4
492.34338	6.5
493.35068	0.7
510.35507	24.6
511.35684	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.3
57.03458	4.0
57.07070	66.7
60.08157	16.6
67.05499	12.2
69.03436	12.4
69.07051	8.0
69.33301	16.4
71.07346	4.1
71.08625	44.6
81.03417	6.4
81.07053	29.7
83.08613	15.8
85.02897	21.5
85.10182	29.8
86.09699	44.1
95.08611	46.8
95.52193	4.0
95.66035	4.8
97.02882	11.8
97.10181	7.9
98.22729	5.5
98.98466	4.4
104.06973	4.1
104.10735	100.0
105.73537	3.9
109.02867	6.3
109.10146	18.8
123.11723	11.4
124.99989	29.7
127.03911	15.6
145.04907	11.8
151.90610	4.0
155.77071	4.1
181.62953	4.4
184.07341	96.7
239.23672	67.5
241.25137	5.3
313.27267	25.2
383.27802	29.2
401.28967	50.8
492.34290	6.4
510.35632	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	510.436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	42.0
64.05434	11.1
71.06187	26.6
71.08620	34.7
73.72505	12.2
89.06019	100.0
101.41666	12.5
133.08577	57.4
170.77431	11.9
177.11197	17.9
181.66617	12.5
253.59077	12.2
283.17441	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	511.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22372	0.5
55.17693	0.4
60.41733	0.4
60.93396	0.4
62.04750	0.4
63.96931	0.4
71.04969	1.6
71.13137	0.5
73.84686	0.4
85.02884	1.9
95.60741	0.5
107.04926	0.5
109.32239	0.4
129.05492	0.7
167.07014	10.3
168.07359	6.9
185.04181	1.3
187.03658	1.9
187.07544	1.0
201.74844	0.4
212.22952	0.4
257.05975	0.5
279.58017	0.6
281.22314	0.5
321.81516	0.5
349.08890	100.0
350.09207	3.6
511.14102	23.0
511.19815	1.1
512.14410	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.6
70.88767	0.8
137.05963	1.9
138.06310	0.6
148.47656	0.6
151.03862	0.7
167.07050	0.7
177.09135	0.8
213.07352	2.4
266.99170	0.5
285.11453	0.6
329.14001	0.6
357.11511	5.9
475.11777	0.8
493.13089	23.7
494.13519	1.4
511.14160	100.0
512.14447	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	511.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	3.0
58.48512	2.0
67.05499	3.3
70.06591	2.5
70.50816	1.9
71.04967	2.2
72.45579	2.2
79.05492	2.4
81.07062	3.7
85.02885	3.0
91.05476	2.3
94.95261	2.1
95.08601	3.6
96.33326	2.6
97.02905	3.0
98.97605	5.3
107.08551	3.7
110.97595	2.7
116.98597	2.8
121.45988	1.9
131.04901	2.5
137.05954	8.5
138.06294	3.4
163.07494	4.2
219.01773	4.2
219.10193	3.1
237.02777	6.9
298.82443	2.3
301.09000	2.5
306.18057	2.3
383.10168	3.5
397.35489	2.3
493.20392	4.3
511.16019	100.0
511.24579	22.8
512.15826	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	511.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
76.76701	0.3
93.94031	0.3
98.23431	1.0
119.94575	0.3
131.30717	0.3
150.36812	0.3
176.56183	0.3
185.04161	0.5
209.33655	0.3
241.89444	0.4
333.70569	0.4
349.23615	0.4
451.31149	0.4
511.28696	100.0
512.29059	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28514	0.3
50.44905	0.2
55.36718	0.2
66.04152	0.2
66.35265	0.2
69.24295	0.7
69.24694	0.5
75.13086	0.2
95.65742	0.2
185.04126	0.4
188.89558	0.3
195.84383	0.3
203.05310	0.9
259.07932	0.3
303.70758	0.2
372.86020	0.2
511.28693	100.0
512.29120	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	511.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.8
55.05500	5.2
57.03430	15.1
57.07067	3.8
57.98020	3.4
61.02913	17.0
66.12771	3.7
67.05491	18.6
69.03428	12.6
69.07051	6.7
69.56863	16.7
73.02918	7.0
79.05494	15.8
81.03399	6.9
81.07047	21.5
83.04980	5.5
85.02897	15.8
91.03949	10.0
91.05465	29.0
93.07041	16.7
95.08601	13.5
96.95428	3.2
97.02885	13.3
99.04451	7.2
101.81657	3.2
105.07006	23.8
107.04892	3.6
107.08590	8.0
109.06481	5.7
115.03926	3.8
117.07000	10.0
119.08581	12.3
121.10135	11.4
127.03895	6.8
131.08514	16.7
133.10139	8.1
135.11688	4.2
145.10133	6.1
147.11659	4.9
159.11734	5.9
163.35191	3.5
197.13062	3.6
201.16408	4.9
202.70598	3.5
203.14229	5.9
219.17400	100.0
219.19453	6.0
255.62880	3.8
275.20053	16.7
303.61737	3.7
349.23688	14.3
467.73764	4.1
470.96356	4.4
511.29395	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	512.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
60.04520	1.6
67.05497	12.1
69.03083	1.0
69.03411	5.7
69.82639	1.4
69.82970	3.0
70.06590	1.6
79.05486	2.3
81.03412	1.1
81.07042	9.1
83.08612	1.1
85.02898	2.4
91.05470	3.2
93.07033	3.2
95.04933	2.6
95.08593	4.8
97.02875	9.1
99.04507	1.6
105.07021	1.8
107.08581	2.7
109.06505	1.8
109.10136	39.6
109.10883	1.9
112.00277	1.5
115.03899	2.9
125.05973	2.3
127.03919	1.2
131.23956	1.1
137.09598	100.0
138.09933	1.9
155.10657	7.8
165.09096	87.9
166.09419	2.9
169.08588	1.0
183.10175	6.3
183.13736	1.4
201.11201	16.4
201.14696	1.8
242.21716	1.2
297.13306	38.4
315.14267	11.6
350.10217	1.2
512.25677	2.3
512.34106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01859	1.7
55.05503	3.7
57.03433	2.3
61.02922	2.4
65.03929	2.6
67.05500	3.3
69.03432	8.2
69.07063	4.2
70.06576	2.3
76.99986	1.8
77.03902	1.8
78.04710	2.4
79.05479	14.8
81.03407	2.9
81.07034	7.2
84.04515	1.4
85.02897	30.8
87.04482	1.6
91.03960	1.7
91.05478	25.4
93.07037	84.8
94.55206	1.4
95.04980	9.8
95.08604	13.2
97.02861	8.3
97.06570	1.8
99.04435	2.8
103.05473	4.9
105.04505	3.2
105.07005	11.2
106.04235	1.9
107.04943	6.8
107.08584	100.0
108.08922	1.9
109.02838	2.1
109.06534	4.4
109.10134	3.3
119.08568	2.6
121.06529	5.4
127.03918	11.0
128.62537	1.7
129.06996	1.9
131.04929	5.5
135.11676	87.2
136.12030	1.7
137.05988	2.9
137.13263	2.1
145.04950	16.0
147.04448	1.5
148.05191	2.6
149.05994	5.7
151.07536	2.0
153.12717	15.7
161.05975	26.3
161.09634	5.3
163.06015	6.9
163.07558	7.9
167.07013	9.8
175.07526	2.1
177.05420	4.4
178.08583	2.0
180.07796	1.6
181.08594	9.5
189.09087	20.3
191.07074	6.8
192.07779	4.3
204.85681	1.5
207.10141	27.7
209.07971	8.6
223.04193	3.2
263.35382	1.4
266.55188	1.7
285.11276	1.9
302.54117	1.8
317.13690	3.6
322.49362	1.5
325.11206	1.7
341.13910	2.1
343.10577	2.6
361.16443	4.6
375.73947	1.5
394.08713	1.7
512.14612	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	512.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01861	1.4
55.05498	5.2
57.03420	1.8
61.02911	2.3
61.65794	1.2
65.03915	1.2
67.05489	3.6
69.03423	7.8
69.07056	5.9
70.06567	2.5
70.52996	1.1
71.04995	1.7
71.20378	1.0
73.02898	2.1
74.26644	1.0
76.87145	1.2
77.03938	1.7
79.05480	11.3
81.03403	4.4
81.07047	11.1
83.04964	6.5
83.08621	1.6
85.02895	41.9
85.03402	3.1
87.04467	1.4
91.03944	2.9
91.05462	20.6
93.07030	83.7
95.04943	6.9
95.08588	11.9
97.02887	13.1
97.05950	1.9
97.06512	14.8
99.04417	1.9
105.04482	3.3
105.07027	8.0
107.08579	100.0
108.08898	2.0
109.02879	2.7
109.06492	5.0
109.10139	3.5
115.03870	1.4
117.07073	1.4
119.06033	1.9
119.08568	1.3
121.10113	3.6
127.03902	11.4
133.10069	1.3
135.08072	1.4
135.11670	85.4
136.11967	1.9
137.13239	2.3
143.98694	1.1
145.04942	19.2
147.04376	3.9
153.12709	23.1
153.13858	1.9
163.06013	7.2
165.12709	1.3
178.08630	3.1
183.13734	3.1
201.14784	1.4
228.66272	1.2
231.99428	1.2
307.07840	1.2
344.36115	1.2
512.27496	1.4
513.17645	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	512.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.7
55.78188	1.7
57.07069	60.7
67.05502	3.7
69.07065	7.6
70.06584	7.5
71.08620	43.7
71.42953	2.0
71.43905	1.8
73.06546	4.5
81.07074	2.0
83.08598	3.5
85.10170	31.0
86.09733	2.3
87.04470	4.1
88.07157	2.7
88.07600	14.0
89.06016	100.0
95.08601	2.2
97.10161	5.0
99.11712	6.3
102.09145	9.8
104.37119	2.0
107.07061	3.0
111.11711	5.6
113.13280	3.5
117.09110	5.6
122.24751	2.2
133.08583	62.2
135.10182	2.5
177.11212	24.0
213.22263	2.2
221.13777	4.7
228.23201	2.7
239.14886	4.2
256.26303	30.2
257.24765	4.5
283.26282	31.6
283.50024	2.3
301.27383	7.3
327.20047	17.8
333.61935	2.2
495.38889	16.7
512.50317	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.1
57.07066	32.2
58.06583	2.5
67.05487	4.2
67.93995	0.9
69.07065	3.7
70.06578	29.8
70.73071	1.3
71.08617	16.2
73.02904	3.4
75.88977	0.8
81.07042	3.5
83.08594	4.5
85.10165	9.1
88.07614	40.1
89.06026	1.8
95.08584	6.1
97.10149	1.9
102.09161	30.1
106.08643	1.7
109.10133	2.5
151.31529	0.8
163.79788	1.0
189.58130	0.9
212.23854	1.7
228.23170	5.9
256.26312	85.3
257.26703	1.7
274.27417	7.5
283.26263	100.0
284.26639	2.6
311.29385	6.0
512.50305	96.1
513.50739	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	513.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39880	12.8
113.87948	16.9
145.02840	22.1
189.01846	28.1
207.02831	38.4
211.00597	14.0
212.85219	44.9
231.02913	31.1
237.02934	16.6
252.24451	15.0
258.26624	16.6
351.07059	29.5
433.58597	16.6
497.42639	15.7
513.12115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1368
Annotation	Gemixanthone A
Peak:m/z	Relative Intensity
67.05466	2.2
69.03403	3.2
69.07011	2.3
69.37310	8.9
73.54146	1.7
79.05465	2.9
81.07012	1.9
86.09613	1.9
91.05434	4.6
92.96729	1.5
95.08545	2.6
98.97571	2.7
105.06976	3.8
109.02820	3.8
109.10120	1.9
120.83148	1.6
121.06467	2.1
122.27222	1.6
127.03810	1.7
128.07347	1.7
131.04897	1.6
133.10057	2.2
137.05882	5.4
151.03819	2.0
159.06436	2.3
177.05289	2.7
179.03398	18.9
227.24266	2.1
237.02583	2.2
272.86768	1.7
299.12656	1.8
513.13159	100.0
513.26105	13.5
514.13403	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	513.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
67.05499	1.0
69.03416	2.1
69.25562	1.1
69.25951	0.9
71.04984	23.3
81.03402	2.7
85.02914	2.2
85.06530	4.6
89.03908	0.4
95.04972	1.6
97.02445	0.3
97.02909	3.8
98.23437	1.0
99.04414	0.7
103.07594	0.5
105.03391	0.6
105.07000	0.5
107.04972	0.4
109.02847	3.3
109.10144	0.5
113.05981	5.1
123.04414	11.8
127.03917	3.2
127.07542	12.0
131.07025	6.5
133.01889	0.8
133.02834	9.9
135.04411	1.7
141.05457	0.9
145.04932	2.3
145.08580	69.1
146.08902	0.8
150.67270	0.4
151.03880	5.2
155.07007	0.8
173.08095	0.7
179.03371	100.0
180.03726	1.8
185.08020	0.6
187.06027	0.7
191.09071	1.9
193.04968	1.2
257.10104	1.4
265.90552	0.5
299.11154	1.3
317.12253	0.8
335.13416	0.8
513.18280	0.7
513.26715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.4
69.03417	2.6
69.07049	0.9
71.04979	36.6
73.02951	0.8
78.85101	0.8
81.03415	4.7
81.07043	1.2
83.04958	0.9
85.02892	3.4
85.06527	9.0
86.06913	0.8
91.05493	2.0
93.07034	1.0
95.04955	2.4
97.02847	4.6
99.04495	0.9
105.07020	1.3
107.08578	3.0
109.02851	3.2
109.10131	1.2
113.05962	6.7
118.06496	1.8
123.04395	10.5
127.03905	3.6
127.07520	19.2
128.85547	0.9
131.07018	7.7
133.02829	9.6
135.04372	1.5
135.08069	1.4
137.05925	1.1
137.09561	1.0
145.08565	100.0
146.08910	1.3
151.03902	3.9
163.07527	4.9
173.07999	1.0
179.03357	86.3
180.03737	1.5
181.08598	3.6
185.08052	1.4
191.09111	2.2
199.09657	2.0
205.66553	0.8
257.10080	1.8
299.11203	2.0
316.15369	1.5
317.12244	1.0
335.13559	1.0
341.43402	0.9
351.11945	1.2
441.18268	0.8
471.18002	0.8
513.17316	3.5
513.26398	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	513.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75314	0.3
70.08743	0.8
98.23038	1.1
99.80717	0.3
142.62988	0.3
143.31776	0.3
184.91321	0.4
351.11975	100.0
352.12286	3.1
353.51389	0.3
513.17285	47.7
514.17371	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38680	43.4
53.80540	42.4
54.49989	51.7
57.18311	37.2
69.67587	100.0
70.28757	39.3
75.12910	48.5
81.49410	39.3
99.81246	44.3
100.83794	36.4
283.26202	55.7
287.89551	38.7
335.53448	43.6
355.07877	63.4
512.50269	54.6
513.18542	88.9
513.35577	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	513.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56270	0.6
62.80741	0.6
67.05469	0.7
70.00851	2.0
70.06570	0.8
79.05502	0.7
81.07031	1.6
84.04504	0.7
85.06518	0.8
91.05490	1.1
95.04975	1.1
95.08562	0.9
105.06966	0.7
107.08594	0.8
109.10155	1.0
131.08583	1.0
139.07652	0.6
141.98616	0.7
157.10220	0.8
160.14317	0.7
187.41408	0.7
237.14584	1.7
299.07315	16.8
351.21448	4.8
397.93976	0.7
431.11499	4.1
513.19409	100.0
514.19788	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	513.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
59.26527	0.4
62.85662	0.3
67.55202	0.3
68.86122	0.4
71.41785	0.4
88.69769	0.3
98.71519	0.4
100.11243	0.7
155.03172	0.5
317.08401	2.5
351.17752	2.0
351.21594	1.1
513.22980	100.0
514.23450	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	513.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	1.9
68.91325	0.7
69.03406	0.9
69.07040	1.5
70.52391	0.6
71.44270	0.9
79.05474	1.3
81.06998	2.0
84.04468	0.9
85.02884	0.8
91.05437	0.8
93.07002	1.4
95.08587	1.4
97.06496	0.7
105.06991	1.1
107.08558	1.1
109.10106	0.8
131.48705	0.7
154.58148	0.7
159.11607	0.7
182.15482	0.8
183.11632	1.0
184.11946	1.0
196.93147	0.7
321.15915	0.7
351.21451	7.6
418.31705	0.8
513.22614	100.0
514.23376	6.9
520.71808	0.9
533.90845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84283	0.3
67.05494	0.7
78.03957	0.4
79.05479	0.4
81.07056	0.7
85.02904	1.0
86.09705	0.5
91.05492	0.4
92.05693	0.4
95.04978	0.6
95.08574	0.4
97.02836	0.4
98.17784	0.4
105.07010	0.8
105.43164	0.4
107.10199	0.4
109.10172	0.5
116.04994	1.7
119.08556	0.5
133.10020	0.5
137.09627	0.6
145.08623	0.4
145.10101	0.4
152.07091	0.5
164.07050	0.4
165.09167	0.9
182.68839	0.4
237.87825	0.4
253.14215	0.7
297.75204	0.5
310.76932	0.4
311.14810	0.8
351.21561	1.8
368.90649	0.4
505.13046	0.4
513.26685	100.0
514.27063	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	513.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00151	4.7
55.05500	18.9
57.03424	6.4
57.07067	7.8
67.05495	47.2
69.03421	10.2
69.07053	11.1
71.04984	21.7
81.07047	57.1
83.08614	33.8
85.02897	17.9
85.06544	11.8
93.06998	7.2
95.08012	7.6
95.08597	100.0
97.02893	12.4
97.10143	15.3
99.04455	5.3
105.07024	17.6
107.75657	4.4
109.10147	93.3
123.11685	17.6
127.03901	5.4
133.10123	10.0
136.07620	4.5
161.09601	14.1
163.14082	4.9
165.16365	15.1
183.17432	35.2
201.18474	89.7
215.14703	4.7
219.19554	17.9
298.45096	5.3
513.19354	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	513.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	1.7
68.70269	0.6
69.86059	1.6
70.06586	1.1
71.08616	0.6
81.00653	0.6
84.08101	0.6
85.10175	0.6
88.07608	1.8
89.06017	0.7
95.07844	0.5
95.08548	1.1
102.09161	1.6
150.37228	0.6
216.99876	0.5
256.26352	3.8
274.27478	0.7
283.26227	4.3
284.26657	0.7
416.16473	0.6
512.50201	6.0
513.30157	100.0
513.50623	3.3
514.30713	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	513.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73445	0.8
52.68343	0.9
57.07047	2.2
60.82389	0.9
69.12601	2.8
69.13007	2.4
70.06561	2.2
71.08574	1.0
77.52123	0.7
84.30813	0.9
85.10113	1.3
88.07582	3.2
99.37141	0.8
102.09167	2.0
125.24645	1.1
155.19193	0.9
170.15895	1.0
203.05289	1.4
256.26376	7.4
257.26532	2.0
283.26254	6.0
284.26468	1.4
512.50250	11.1
513.29877	100.0
513.50433	8.2
514.30322	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	513.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	1.8
59.90560	0.6
67.05485	0.9
67.46475	0.5
70.06576	1.4
70.44031	1.0
71.08588	0.8
88.07621	1.3
102.09144	1.4
172.42397	0.6
198.16856	0.6
203.05289	0.6
222.41875	0.6
227.70689	0.7
256.26254	3.0
257.26691	0.8
259.08115	0.7
283.26303	3.4
512.50397	4.9
513.30261	100.0
513.50433	3.4
514.30530	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58069	16.8
58.73615	15.2
61.02908	27.6
67.05482	35.4
69.03432	14.7
69.07073	15.6
71.42828	14.9
79.05486	44.4
79.45108	13.5
81.07048	62.7
84.25467	15.2
85.27782	15.5
91.05495	30.5
93.07046	29.4
95.08587	25.5
105.07018	50.0
107.08559	24.2
119.08543	34.1
121.10133	26.6
133.10129	41.2
135.11604	19.5
145.10106	16.7
153.25372	15.6
161.13258	28.2
241.19589	17.5
259.20593	50.8
351.25247	100.0
464.92853	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	515.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.8
60.00633	0.7
67.72489	0.6
70.06581	1.0
71.44827	0.7
79.55704	0.6
98.97565	5.5
114.78672	0.7
116.98603	0.7
124.99133	0.9
143.00159	1.9
147.04414	0.7
158.99646	2.8
161.01224	1.2
177.00673	1.3
185.01205	1.1
185.40300	0.7
219.01750	2.3
245.03271	1.2
255.05365	0.8
353.06631	2.0
363.06210	1.0
398.50519	0.7
408.83801	0.8
492.06091	0.7
495.54355	0.8
515.11523	100.0
516.12079	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	515.1732
Annotation	Phthalocyanine
Peak:m/z	Relative Intensity
53.53894	0.5
55.07782	0.5
57.05189	0.5
60.17090	0.4
65.37872	0.4
70.06585	0.6
74.90529	0.4
85.02874	0.7
100.80102	0.4
169.04819	0.7
185.04224	1.3
192.52527	0.4
206.05516	5.2
207.06267	2.5
220.11731	1.4
221.12141	0.6
228.88135	0.4
243.08372	0.5
331.09927	6.2
369.11475	2.9
430.08743	0.5
438.53467	0.5
515.17322	100.0
516.17493	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	515.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
69.22134	3.9
80.60440	0.7
85.02911	1.0
86.09712	0.7
92.63683	0.8
93.07037	0.8
105.07036	1.0
137.06017	1.2
147.11707	0.9
249.07272	1.9
305.45203	0.8
343.90125	0.8
361.10489	3.4
363.12103	0.9
365.10043	1.3
377.09973	3.2
379.11700	1.4
380.12091	4.2
381.13235	1.5
384.50800	0.9
392.12375	5.4
395.11096	7.0
409.12079	1.0
410.13309	46.1
411.13806	7.9
453.15228	2.8
463.31360	1.7
472.31442	4.0
472.81750	2.0
473.32266	0.8
483.16217	46.1
484.16580	2.6
515.18860	100.0
515.27795	12.5
516.18970	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	515.1888
Annotation	Kadsuphilol H
Peak:m/z	Relative Intensity
56.21117	0.8
71.42049	1.0
95.08627	1.1
117.74806	0.9
147.11620	1.0
147.95166	0.8
155.31302	1.0
161.40935	0.9
172.63647	1.0
177.05333	1.8
178.13669	1.0
249.07367	2.5
256.94064	1.0
361.10635	3.1
365.09857	1.8
377.09955	2.3
379.11716	1.2
380.12411	2.0
381.12851	1.1
392.12363	5.1
395.10944	7.0
409.12912	1.1
410.13318	40.0
411.14221	5.1
451.15710	1.2
453.15033	2.5
454.30594	1.5
472.31943	6.5
472.81735	4.9
483.16226	35.8
484.16595	1.3
515.18872	100.0
515.27966	16.7
516.19214	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	515.189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73140	0.7
69.03352	0.8
70.03051	1.4
76.35789	0.5
81.07011	0.7
95.04939	1.0
105.06915	0.7
107.08533	0.7
121.10107	0.5
122.34172	0.6
131.08432	0.6
137.05885	0.9
141.05391	1.2
160.62910	0.6
165.09058	0.6
243.06448	1.1
269.07779	0.6
271.06122	0.6
329.08954	0.8
335.12430	2.2
353.13528	100.0
354.13959	4.1
383.14731	0.9
383.78726	0.6
464.35056	0.5
515.18884	52.4
515.27893	7.6
516.19177	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2826
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
50.97357	0.4
67.05504	0.5
69.03440	0.5
69.07054	0.4
70.06588	0.7
70.67455	0.6
73.02902	0.5
81.07050	0.8
84.04506	0.4
85.02924	0.6
91.05473	0.9
93.07012	0.7
95.08577	0.5
95.82653	0.3
97.10188	0.3
105.07039	0.8
109.06511	0.5
109.10151	0.5
114.46753	0.4
119.08548	0.4
121.06483	0.4
121.10183	0.4
123.28379	0.4
137.09627	0.5
168.13937	0.4
172.65865	0.4
243.10919	0.3
331.78549	0.3
353.22897	1.4
466.51892	0.4
515.28265	100.0
516.28802	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	515.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97546	11.0
55.05500	20.6
67.05492	46.8
69.03427	29.8
69.07060	34.5
69.53712	24.7
72.78437	12.6
79.05493	31.7
81.07042	49.6
85.02888	30.0
91.05453	40.3
93.07044	80.9
95.04919	14.7
95.08598	41.1
105.07012	49.0
107.08578	57.2
109.10155	97.5
115.03856	14.3
119.08570	62.1
121.10137	14.6
133.10147	29.1
135.11685	38.5
143.08492	12.5
145.10069	13.1
147.04404	26.4
147.11674	35.7
201.16452	17.3
203.17906	39.2
353.23090	28.9
356.32925	13.0
515.17560	17.3
515.27771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24833	2.5
79.56946	0.4
83.34896	0.4
89.06039	0.7
204.96048	0.4
205.04970	0.8
249.88947	0.5
299.84119	0.5
338.98431	0.4
380.10501	0.5
451.77359	0.4
514.51184	0.9
515.31836	100.0
516.32251	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	515.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
58.06577	0.4
67.05487	0.7
69.07043	0.5
71.45356	0.4
79.05482	0.8
79.71291	0.3
81.07073	0.5
88.71875	0.4
91.05436	0.5
93.07016	0.6
95.08596	0.6
105.07024	0.5
117.06984	0.5
185.04106	0.4
198.45638	0.4
203.05219	1.4
222.82507	0.4
259.07843	0.5
261.21893	0.4
312.26199	0.5
515.31818	100.0
516.32251	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16760	6.6
55.05502	21.4
57.00526	7.1
57.07068	8.4
67.05496	77.3
69.03416	9.9
69.07066	13.2
69.58514	23.9
74.17354	7.1
79.05482	72.2
81.07050	94.6
91.05449	37.5
93.07034	76.8
95.08598	81.2
98.23390	15.8
105.07007	30.0
107.08611	41.7
109.10137	39.4
117.07001	14.4
119.08566	28.5
121.10137	36.4
123.11686	11.7
126.67110	6.8
127.56531	7.2
131.08546	28.2
133.10106	13.5
135.11685	29.8
136.96423	7.2
145.10104	15.5
147.11705	17.9
149.13239	27.1
159.11664	15.9
161.13298	16.0
163.14790	20.8
172.95099	11.5
173.13269	25.6
187.14847	11.2
205.05128	7.8
243.21112	20.2
261.22113	79.8
333.07269	7.2
335.25827	14.4
515.37286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65447	4.8
52.96748	4.4
53.03933	4.8
55.01850	6.3
55.05498	21.9
57.07062	4.6
61.02906	7.7
67.05489	97.5
69.03403	9.5
69.07071	24.7
70.27576	9.8
71.04996	9.5
75.04503	4.7
77.03923	5.9
79.05472	51.1
81.03405	8.4
81.07048	100.0
81.41953	4.6
83.08592	10.1
89.52567	4.2
91.05455	41.8
93.07034	73.4
95.04980	9.8
95.08591	64.1
98.23417	4.8
105.07015	35.6
107.08567	41.5
109.06528	12.7
109.10143	42.7
114.14755	5.3
115.34410	4.4
117.07010	18.4
119.08573	19.2
121.10110	41.0
123.11663	10.3
125.05928	4.4
125.09593	5.6
129.06999	9.0
131.08553	32.7
133.10104	17.8
135.11659	32.2
137.09644	4.8
137.13249	8.4
145.10118	32.4
147.11670	15.9
149.13229	18.1
159.11682	18.5
161.13237	14.2
163.14864	14.0
173.13274	18.4
175.14781	6.7
187.14795	11.3
201.16516	4.6
205.15771	4.5
214.73524	4.6
233.22462	5.8
243.21118	26.3
261.22116	85.0
263.79532	4.9
273.04892	4.8
301.21793	5.9
317.24683	5.5
335.25803	12.9
353.26587	12.7
366.07159	5.0
415.17050	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.3
57.03420	12.0
60.22998	3.2
61.02916	6.5
67.05497	89.0
69.03416	5.5
69.07062	18.3
70.11583	7.5
71.04983	5.7
79.05484	53.7
81.07043	100.0
83.04966	4.3
83.08620	9.9
85.02888	8.0
89.82445	2.8
91.03905	4.3
91.05467	30.7
93.07033	67.1
95.04958	7.3
95.08587	73.9
97.02877	5.0
97.06545	4.2
97.10170	3.4
99.08093	2.7
105.04546	3.4
105.07019	26.8
107.08583	46.4
109.10152	34.5
111.08105	3.1
117.06999	12.4
119.08564	22.6
121.10127	30.5
123.11708	19.6
123.65956	2.5
131.08528	26.0
133.10123	17.8
135.11693	23.9
137.09615	4.7
137.13254	8.7
141.06996	3.1
143.08569	4.9
145.10150	19.5
147.11623	14.0
149.13228	20.6
157.10159	3.5
159.11711	20.3
161.13255	13.1
163.14822	14.0
171.11662	3.6
173.13284	17.9
187.14854	9.6
197.28253	3.1
201.16396	5.0
240.33681	2.7
243.21112	19.3
261.22101	67.6
279.23193	5.6
313.43008	3.2
335.25714	17.8
345.24359	3.7
353.26883	10.5
395.27542	7.2
419.28107	3.2
423.27451	3.4
497.31039	3.7
515.05084	3.3
515.36542	6.5
544.46136	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	21.3
57.03418	8.4
57.07053	6.6
61.02909	8.3
65.03923	5.4
67.05495	87.7
69.03407	6.9
69.07052	19.9
69.21715	22.3
71.05005	5.1
71.85063	4.0
79.05476	52.3
81.03391	4.1
81.07047	100.0
83.04972	5.2
83.08591	10.8
85.02895	9.3
85.06531	3.8
91.05457	30.3
93.07027	63.2
95.04942	11.3
95.08589	65.1
97.02892	4.9
97.06528	8.7
97.10147	4.2
105.07011	26.4
106.17898	3.2
107.08590	42.5
109.06493	7.0
109.10126	37.4
111.08080	5.0
117.07032	16.5
119.08551	21.1
121.10124	33.1
123.08025	4.1
123.11723	18.5
127.03835	3.5
129.07021	3.7
131.08537	27.7
133.10107	19.1
135.07982	4.3
135.11679	28.9
137.13228	7.2
143.08546	4.0
145.10091	21.1
147.11665	13.3
149.13223	17.7
159.11728	19.4
161.13251	7.4
163.11050	3.8
163.14807	12.5
173.13235	16.1
177.16470	3.8
185.13190	4.2
187.14810	7.2
210.50409	3.4
224.34604	3.5
226.10184	3.3
233.94209	3.4
243.20995	20.6
261.22089	62.2
272.75015	3.8
279.23163	4.0
301.21539	4.8
303.23129	3.8
335.25867	20.0
337.91095	5.3
353.26773	11.9
369.24158	4.3
497.30984	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	515.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33633	3.8
55.05504	31.1
57.07064	4.8
65.03922	7.1
67.05497	43.6
67.44054	4.3
69.03416	10.0
69.07056	33.0
69.27733	4.8
70.06622	5.3
70.73289	9.4
71.04991	26.5
79.05482	54.7
81.03371	5.1
81.07050	76.1
83.08615	11.8
85.02908	11.2
85.06536	11.1
86.09679	6.1
91.05468	61.2
93.07030	72.7
95.04969	13.4
95.08584	85.0
97.02879	13.2
97.06517	17.8
97.10137	8.7
99.04426	7.1
105.04516	6.5
105.07011	100.0
107.04942	8.4
107.08569	78.1
109.06521	27.0
109.10136	36.8
111.08056	13.2
115.05431	4.7
117.07000	18.3
119.04907	10.0
119.08561	70.6
121.06474	54.8
121.10121	70.8
123.08051	31.2
123.11684	18.3
125.09566	4.5
127.03891	5.3
127.07551	8.9
129.06972	12.5
131.07060	5.2
131.08549	36.6
133.04965	7.0
133.06470	14.9
133.10114	31.3
135.08063	34.5
135.11676	17.4
137.09615	11.1
139.11151	7.1
142.07767	11.3
143.08514	32.7
145.06471	12.3
145.08569	49.7
145.10094	41.7
147.08015	23.7
147.11658	30.1
149.09625	12.5
155.08568	13.8
155.10329	5.0
156.09351	6.0
157.06477	12.3
157.10098	30.0
159.08025	23.1
159.11630	23.6
161.09569	19.4
161.13248	20.9
163.03889	10.2
163.11261	6.5
165.07050	4.7
168.09138	4.7
169.10104	15.6
171.08057	9.8
171.11671	19.1
173.09593	64.7
173.13239	17.0
175.11157	36.3
175.14787	19.9
179.03462	7.2
181.10199	7.3
183.08046	6.2
183.11687	16.3
185.09581	21.3
185.13223	16.5
187.11143	26.9
187.14874	4.6
189.12743	7.3
194.10878	5.0
195.11664	17.7
196.12575	5.1
197.09608	10.0
197.13248	14.2
198.10399	5.0
199.11150	7.6
199.14780	11.7
201.12692	31.4
203.14290	6.9
207.11577	5.9
209.13322	9.9
211.11180	8.5
211.14780	11.0
213.12704	35.3
215.14304	8.1
221.13293	8.5
225.12799	8.2
227.14304	21.8
227.17838	8.5
229.15784	4.8
231.13678	25.3
235.14886	7.4
239.14325	16.7
245.15303	19.3
249.14699	7.8
257.15329	10.2
261.14728	7.3
263.16089	26.6
275.16254	27.4
277.17883	5.5
281.19116	7.2
289.17975	9.3
291.19757	6.7
295.16934	13.9
295.20288	4.9
297.18408	8.9
303.19659	5.3
315.19455	32.9
317.08453	13.1
317.20950	28.1
329.21097	14.5
331.22632	6.0
343.22647	20.1
345.24237	14.0
353.22818	9.5
357.23981	7.0
397.27335	13.1
401.28244	7.7
419.29333	18.5
427.31863	12.7
437.30569	26.9
455.31635	47.5
473.32327	5.5
515.20917	78.7
515.27838	61.0
515.33850	11.0
516.20959	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	515.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57098	5.7
55.05491	33.2
65.03922	7.8
67.05495	45.7
69.03427	11.4
69.07054	34.6
79.05477	51.1
81.07050	74.4
83.08617	9.7
85.02887	6.3
85.06555	6.7
88.00554	5.3
91.05452	61.5
93.07041	78.2
95.04968	14.8
95.08601	97.5
97.06535	12.7
97.10170	6.8
103.05452	7.1
105.04503	7.7
105.07020	100.0
107.04964	7.7
107.08576	68.8
109.06502	23.0
109.10143	45.6
111.08070	13.3
115.05454	8.7
117.07001	16.4
119.06062	7.4
119.08572	75.6
121.06485	46.1
121.10126	81.8
123.08061	26.8
123.11690	20.8
129.07013	12.8
130.07858	5.1
131.08536	38.5
133.06467	19.7
133.10109	27.7
135.08028	29.3
135.11697	24.3
137.09576	12.2
139.11194	7.7
141.06920	7.3
142.07750	8.3
143.08546	32.2
145.06403	10.4
145.10123	43.6
147.08018	23.4
147.11662	37.6
149.09593	20.5
149.13260	9.9
155.08470	10.4
157.06390	10.5
157.10077	32.6
159.08037	18.9
159.11690	30.1
159.89264	5.6
161.09637	25.4
161.13239	22.4
165.09723	6.0
165.16476	8.7
168.09375	6.0
169.10124	21.2
171.08022	18.0
171.11722	22.1
173.09604	55.7
173.13269	12.7
175.11192	39.5
175.14876	20.1
178.21545	5.5
180.09346	6.2
183.11673	19.7
185.09599	16.6
185.13254	21.6
187.11189	33.1
189.12741	16.9
194.11041	7.7
195.11696	16.9
197.13251	19.1
199.11217	15.2
199.14815	16.3
201.12767	19.4
209.13223	16.5
211.11176	9.2
211.14920	11.4
213.12677	17.3
215.14258	10.3
221.13229	12.4
223.14612	5.3
227.14349	24.7
231.13829	16.0
237.16399	11.0
239.14247	19.7
241.15834	8.4
245.15393	15.9
253.15591	6.7
255.17311	8.9
257.15527	7.4
263.16318	33.5
275.16455	24.4
277.18005	9.9
289.18112	8.5
291.19312	6.9
295.16971	13.1
297.18512	10.4
299.20050	6.4
313.18024	11.4
313.21408	8.2
315.19510	46.1
317.21072	41.3
329.21069	16.9
331.22354	7.4
341.21100	8.4
343.22733	22.7
345.24246	13.4
353.22650	7.2
355.22964	6.9
357.24109	8.0
397.27234	20.6
419.29739	12.4
427.31949	7.8
437.30399	24.7
455.31512	48.2
486.18768	7.3
515.27051	44.2
515.34735	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25846	0.4
57.03403	0.5
67.05491	1.7
69.03410	1.7
70.31524	0.4
70.31870	0.9
71.04983	33.9
73.02889	0.4
81.03415	2.1
81.07035	0.4
85.02885	2.4
85.06524	6.2
86.52587	0.4
91.05471	0.5
95.04960	1.4
97.02883	2.6
99.04434	0.7
103.07583	0.6
107.08585	0.5
109.02852	2.2
113.05991	5.3
115.49680	0.4
118.57845	0.4
119.04929	2.4
122.05980	0.4
127.03896	2.6
127.07536	18.2
131.07022	9.6
133.02823	0.9
140.01013	0.4
141.05476	0.7
145.04898	1.6
145.08574	100.0
146.08936	0.9
147.04373	9.3
151.06187	0.8
155.07018	1.6
173.08063	2.4
187.05965	0.4
191.09120	9.9
210.93338	0.4
257.10153	1.4
275.11176	1.0
299.11270	0.9
317.12149	2.0
335.13336	2.3
481.16702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.05506	25.3
57.03435	3.4
57.07066	15.1
59.34995	1.7
61.02915	4.7
65.03917	2.3
69.03423	10.8
69.07061	19.5
71.04972	2.7
71.08633	2.7
72.08149	4.0
73.02897	2.4
79.05509	2.0
81.03415	4.0
81.07047	5.0
81.43050	1.8
83.08607	82.8
84.04511	4.3
84.08136	3.0
85.02889	41.2
85.40873	1.9
86.09691	5.2
87.04478	1.7
93.21365	1.7
93.72562	1.6
95.08595	2.3
97.02875	14.8
97.10149	27.0
99.04450	3.6
102.05576	2.9
105.07005	2.6
107.04945	13.0
109.02882	5.5
115.03954	2.4
115.08672	3.1
119.08570	1.7
122.34518	1.7
127.03880	10.1
131.08578	2.1
132.51665	1.6
137.13263	1.7
143.08167	3.7
145.04926	15.3
151.11182	3.0
157.15857	100.0
158.16257	2.6
163.06017	5.6
165.12756	6.2
175.15625	2.1
175.16895	8.2
187.07581	3.0
191.14362	2.3
209.15305	16.4
240.03305	1.8
272.12323	6.9
487.12704	2.2
516.20874	3.0
516.31647	8.9
517.22308	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	516.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83162	0.5
56.05016	0.8
60.08162	6.0
67.05477	0.6
69.07101	2.8
69.07513	0.9
71.07372	2.8
83.11423	0.5
86.09696	30.2
98.23444	1.0
98.98436	3.6
104.10745	2.6
104.31984	0.5
124.99995	21.0
136.41057	0.5
172.69946	0.5
184.07321	100.0
185.07771	1.0
498.29861	0.6
516.30450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60328	0.2
69.03433	0.3
69.67240	0.4
69.67620	0.5
81.03420	1.0
85.02882	0.7
97.02936	0.3
99.04413	0.3
103.05452	0.4
109.02854	0.6
130.06506	100.0
131.06862	1.6
144.07980	0.3
160.83334	0.2
172.07553	0.4
176.07079	4.1
320.11237	2.6
338.12259	7.7
517.13037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2642
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
53.60876	2.5
54.80499	2.3
55.05499	7.5
55.73936	2.3
67.05496	10.6
69.03433	11.6
69.07064	16.7
70.06586	4.9
71.04986	7.3
79.05481	8.3
81.07050	24.7
83.04969	11.7
83.06100	19.4
84.04485	38.5
85.02907	16.5
85.06550	2.7
91.05463	9.1
93.07040	16.2
95.04964	4.8
95.08596	25.1
97.02869	3.0
97.06496	4.7
97.10185	8.9
99.08073	4.8
101.07140	9.4
102.05538	7.1
105.07021	10.3
106.88602	2.5
107.04974	2.9
107.08588	29.8
109.06518	3.8
109.10136	28.5
111.08067	4.9
111.11704	2.4
117.05469	8.7
119.08569	11.0
121.06503	7.6
121.10129	34.1
123.08073	3.2
123.11674	7.2
125.09624	10.3
129.06599	31.4
130.04994	33.8
131.08560	7.5
133.05162	3.9
133.10104	15.6
135.08032	12.2
135.11674	8.3
137.09598	14.9
139.11145	9.5
145.04926	2.8
145.10130	6.2
147.07628	22.3
147.11661	9.1
148.07539	14.5
149.09584	14.1
149.13261	18.0
151.11153	66.9
156.13811	2.8
159.11624	5.2
161.09584	5.8
163.03888	9.1
163.11223	3.4
163.14876	12.4
165.09128	4.5
165.12778	8.6
173.13225	10.9
173.68285	2.6
175.11162	4.1
177.09149	4.5
184.13286	4.1
191.14268	56.3
201.12668	3.5
209.15344	100.0
234.31534	2.4
267.16943	2.9
281.87558	3.1
289.21591	9.8
291.23120	2.5
299.19992	5.3
307.22614	4.1
308.25885	2.7
316.22537	3.1
317.08377	3.7
317.21060	8.1
334.18112	3.7
352.24854	5.5
481.28873	6.7
482.28165	5.2
499.29739	4.5
517.21985	55.0
517.29688	57.3
518.16138	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	517.2641
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
50.25555	2.1
55.05493	6.8
57.03431	3.8
59.04984	3.4
62.12204	2.1
67.05497	8.6
69.03431	12.4
69.07070	12.0
70.06591	4.2
70.12032	2.4
71.04984	8.8
79.05472	7.8
81.03409	2.9
81.07061	16.9
83.04977	7.7
83.06085	13.0
84.04480	23.1
84.08144	3.1
85.02898	12.6
91.05460	6.1
93.07046	11.8
95.04939	6.3
95.08590	25.8
97.02898	5.5
97.06524	6.8
97.10161	8.9
99.08069	6.2
101.07113	5.1
102.05522	3.8
105.07029	10.7
107.08585	31.1
109.06499	7.9
109.10146	19.6
111.08083	3.0
117.05477	10.2
119.08564	9.2
121.06488	4.1
121.10125	26.5
123.08055	4.2
123.11692	5.4
125.09605	12.2
127.03902	2.8
129.06563	26.0
130.04979	19.0
131.08553	5.6
133.10124	9.0
135.08022	12.7
135.11665	6.5
136.95181	2.1
137.06000	4.5
137.09595	9.8
139.11084	10.9
145.10010	3.6
147.07648	11.9
147.11671	10.6
148.07591	3.7
149.09604	14.5
149.13260	13.1
151.11162	63.0
161.09570	5.0
163.03893	3.2
163.14803	8.3
165.09094	3.1
165.12683	5.7
173.13261	10.5
175.07404	2.2
177.09131	3.4
179.03195	2.2
179.10728	4.7
191.14290	58.2
201.05400	2.3
202.14503	2.4
209.15338	100.0
210.15685	3.9
251.24414	2.2
289.21539	4.6
291.23434	2.7
295.16373	3.3
299.19904	3.0
317.21164	4.2
352.24353	4.0
421.26413	2.9
472.10437	2.4
477.98328	2.3
481.29028	2.6
517.22540	47.4
517.29718	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	517.3119
Annotation	Adynerin
Peak:m/z	Relative Intensity
53.03952	1.6
55.05497	13.9
56.05029	5.5
57.07072	1.9
67.05495	15.8
69.03416	8.2
69.07056	29.2
69.18826	2.0
69.19126	6.8
71.04990	2.9
72.35867	1.4
73.02923	1.4
74.42686	1.0
77.46043	1.0
79.05501	5.7
81.07041	30.1
83.04990	3.5
83.06089	45.0
83.07735	1.0
83.08611	3.2
84.04491	100.0
84.08109	1.3
85.02895	4.0
87.61043	1.0
91.05447	7.9
93.07027	21.2
95.04950	6.7
95.08596	24.0
97.06530	7.2
97.09580	2.1
97.10155	22.9
98.23421	2.2
99.04439	1.1
101.07130	18.5
101.73206	1.1
102.05527	16.1
105.07021	15.2
107.04968	1.6
107.08583	26.2
107.64263	1.1
109.06496	4.6
109.10137	35.4
111.08019	2.0
111.11705	9.2
113.09605	1.4
115.03921	1.7
115.05388	1.2
117.06982	2.6
119.08559	13.0
121.06483	3.1
121.10131	15.1
123.08054	4.2
123.11684	12.7
125.09605	2.7
129.06577	89.8
130.04984	80.5
130.47382	1.5
131.08542	6.7
133.06418	1.1
133.10110	17.3
135.08011	5.3
135.11678	10.8
137.05980	2.9
137.09579	16.8
137.13220	1.6
139.11156	22.7
143.08513	1.8
145.00880	1.4
145.10123	7.1
147.07622	54.1
147.11650	7.7
148.07581	1.3
149.09592	12.8
149.13234	3.1
151.11186	13.5
153.12714	1.4
156.13811	10.0
157.10126	2.4
157.12234	10.1
159.07994	5.1
159.11630	5.9
161.09587	11.3
161.13261	3.0
163.11133	3.0
163.14758	1.4
165.09108	11.3
165.12711	1.3
167.10652	4.9
169.07590	1.2
171.11662	1.8
173.09608	3.8
173.13199	5.9
175.11134	7.5
175.14810	1.8
177.09074	11.9
179.10661	8.0
181.12262	1.8
183.11746	1.9
184.13326	8.6
185.13321	1.2
187.14807	1.3
189.12677	2.2
191.10660	3.7
193.12218	2.1
197.13254	1.5
201.12717	6.0
202.14375	5.2
203.12688	2.7
215.17822	1.9
219.13918	1.1
225.12801	1.6
229.19576	1.7
243.21091	5.1
247.20659	1.4
253.19693	1.1
261.22107	2.9
263.23703	2.5
267.17072	10.4
268.15384	3.1
271.20544	6.9
273.22095	4.8
275.20105	2.4
281.18958	4.2
285.18042	2.5
289.21576	16.7
290.24551	1.8
291.23114	7.8
293.21118	1.6
295.16446	11.3
299.19983	14.1
307.22543	8.4
308.25919	2.2
313.17581	3.1
316.22629	3.1
317.08557	1.4
317.21042	21.0
334.23700	7.6
335.22009	8.7
352.24747	16.5
353.23221	1.4
370.25885	5.1
392.27792	2.3
418.25659	2.0
419.29153	2.4
420.27362	3.1
427.25705	3.3
436.26559	2.2
437.30182	2.7
445.26938	8.0
463.27850	11.8
464.26379	4.7
481.23419	1.2
481.29208	14.2
482.27368	3.0
499.30179	8.7
517.21356	3.4
517.29541	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	517.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	25.1
57.03437	5.6
57.07057	8.6
61.02920	6.2
62.67457	3.8
67.05148	8.0
67.05492	81.2
69.03430	5.2
69.07050	27.1
71.08601	6.1
79.05481	33.3
81.03404	5.2
81.07042	100.0
83.08620	21.3
86.09713	7.2
91.05477	24.0
93.07040	30.3
95.04948	6.0
95.08590	82.1
97.02898	6.9
97.06528	5.7
97.10149	7.8
104.10735	12.1
105.00305	4.5
105.07026	17.9
107.08570	19.0
109.10153	32.6
113.00027	10.6
113.09650	4.9
119.08572	14.1
121.10129	23.0
123.11674	16.7
133.10112	14.6
135.11650	8.5
137.09567	5.5
137.13286	6.2
147.11667	12.8
147.92114	4.1
149.13202	9.9
151.14836	6.1
161.13263	9.8
163.14728	6.0
167.78036	4.6
175.14867	7.7
184.07271	9.7
197.21303	4.5
245.22583	35.8
248.85591	4.5
263.23651	46.9
279.22592	4.2
336.28720	4.4
337.27289	38.6
357.72736	5.4
405.29990	6.8
433.09698	5.7
499.32892	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	517.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.3
55.05509	27.0
55.31495	3.9
57.03423	4.9
57.07070	8.4
65.03899	3.9
67.05157	5.5
67.05496	79.6
69.07060	28.6
70.04530	5.6
70.04848	3.9
70.65244	3.4
71.08613	7.0
79.05485	33.9
81.03384	5.1
81.06564	5.1
81.07043	100.0
83.08595	13.6
85.02888	6.6
86.09686	6.2
88.24757	3.4
91.05471	26.1
93.07034	36.0
95.04948	11.2
95.08582	70.6
97.02904	4.2
97.06535	8.7
97.10145	9.3
99.08080	3.5
104.10712	19.1
105.04489	4.0
105.07009	21.9
107.08596	17.3
109.10155	32.5
111.08064	6.5
117.07026	4.2
119.08547	19.7
121.10114	21.5
123.08136	4.3
123.11694	15.3
131.08461	4.4
133.10089	18.2
135.11656	12.9
137.13177	5.4
147.11623	11.3
149.13249	13.5
161.13231	14.8
163.14781	8.0
165.16324	6.2
175.14801	6.8
211.13200	4.9
245.22591	39.0
263.23627	41.2
337.27274	24.3
351.30396	4.0
459.24942	6.9
499.33279	4.4
517.34363	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	517.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40748	4.0
55.01852	7.8
55.05502	47.0
57.03426	14.3
57.07069	5.3
67.05153	6.8
67.05491	80.3
69.07052	21.7
69.28188	4.0
71.04976	6.1
71.45280	3.9
79.05480	64.1
81.03393	29.9
81.07050	69.8
83.04975	7.6
83.08614	28.5
91.05460	53.0
93.07024	49.1
95.04955	28.9
95.08585	44.9
97.06516	6.7
97.10141	24.8
105.07016	40.7
107.04932	7.5
107.08562	32.1
109.06507	9.5
109.10141	28.4
109.11344	4.3
111.08052	6.7
117.06979	12.9
119.08537	27.5
121.06477	14.9
121.10126	22.2
123.08033	5.8
123.11681	14.1
125.09599	19.0
129.06961	10.6
130.97356	4.4
131.08527	29.9
133.10120	29.9
135.08020	12.2
135.11653	21.9
137.09558	4.8
139.11205	4.7
141.06950	7.0
143.08524	11.8
145.10109	24.7
147.07956	7.0
147.11644	21.3
149.13158	9.1
155.08560	6.1
157.10117	12.7
159.08003	5.8
159.11665	17.2
161.13235	6.8
163.11192	5.6
171.11630	6.6
173.09387	5.0
173.13197	17.4
175.14789	8.2
177.12863	4.6
179.14420	5.2
183.11655	7.9
187.11278	5.9
187.14825	9.0
189.11148	12.8
193.12180	8.8
197.13216	6.5
199.14691	6.1
201.12791	5.0
215.17909	16.0
227.12694	13.3
229.15727	4.4
233.18980	26.5
234.19998	4.0
255.20953	6.6
256.99133	4.4
257.19016	6.4
267.15805	24.0
273.22092	21.8
287.19809	4.4
289.21707	4.7
307.22589	14.3
311.71091	4.1
312.30121	5.0
313.21381	6.2
331.22784	5.2
339.00122	4.4
395.68796	5.2
407.29483	10.9
425.30426	23.5
443.31256	15.7
499.34128	61.4
500.34518	8.1
517.35217	100.0
518.35803	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	517.3863
Annotation	3beta-Acetoxy-12beta,13beta-epoxy-11alpha-hydroperoxyursane
Peak:m/z	Relative Intensity
56.12896	0.5
62.89922	0.5
69.94843	0.5
70.25690	0.6
83.28811	0.6
90.55376	0.5
125.41109	0.5
184.07329	0.8
185.00650	0.5
188.33157	0.6
194.12816	1.3
202.48184	0.5
205.04991	0.9
261.16364	0.5
262.79147	0.5
277.17813	0.9
293.09137	0.6
368.56308	0.5
464.99603	0.6
499.37701	1.3
517.38696	100.0
518.39014	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	517.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.6
58.06596	0.5
60.07870	0.4
60.08162	7.1
67.05491	0.5
71.07368	4.2
79.05463	0.3
81.07056	0.5
86.09701	36.6
88.07619	0.3
91.05453	0.4
93.07016	0.4
95.08585	0.3
98.98463	4.0
104.10742	3.7
111.64774	0.2
124.99046	0.5
124.99309	0.5
124.99997	24.7
184.07329	100.0
189.84387	0.2
200.20103	0.5
205.04955	0.5
209.11470	0.5
256.26462	0.8
331.25995	1.4
405.47720	0.2
499.37503	0.3
500.31412	1.0
517.38782	32.3
518.32495	0.8
518.39087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.6
58.06596	0.5
60.07870	0.4
60.08162	7.1
67.05491	0.5
71.07368	4.2
79.05463	0.3
81.07056	0.5
86.09701	36.6
88.07619	0.3
91.05453	0.4
93.07016	0.4
95.08585	0.3
98.98463	4.0
104.10742	3.7
111.64774	0.2
124.99046	0.5
124.99309	0.5
124.99997	24.7
184.07329	100.0
189.84387	0.2
200.20103	0.5
205.04955	0.5
209.11470	0.5
256.26462	0.8
331.25995	1.4
405.47720	0.2
499.37503	0.3
500.31412	1.0
517.38782	32.3
518.32495	0.8
518.39087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67247	0.8
53.03938	1.6
55.01846	1.3
55.05504	15.2
57.03438	4.9
57.07062	3.0
64.72104	0.6
65.03935	2.0
66.92493	0.7
67.05495	38.0
69.07060	18.8
69.51559	2.9
71.04968	3.0
71.08623	1.1
77.03962	0.7
79.05483	28.0
79.05944	1.8
81.07044	44.3
83.04972	1.7
83.08606	9.5
85.06537	2.4
91.05466	25.2
93.06438	1.7
93.07034	34.6
94.07357	1.2
95.04966	4.8
95.08591	36.9
97.06518	4.1
97.10154	4.7
99.08056	1.1
101.06011	0.9
104.15862	0.9
105.03399	1.8
105.04509	1.6
105.07014	27.5
107.08580	24.3
109.06498	2.3
109.10148	15.7
111.08067	1.5
115.05445	0.8
117.07000	9.2
119.08564	28.1
120.08913	0.7
121.10134	20.1
123.08018	1.9
123.11703	5.9
125.09634	1.5
129.06976	4.9
131.08548	22.2
132.04474	1.7
133.02831	15.7
133.04732	1.0
133.10106	21.5
135.08003	1.1
135.11676	12.6
137.05939	1.1
137.09573	1.1
137.13237	1.2
139.11198	0.9
141.07016	1.2
143.08554	7.1
145.10100	18.3
147.11661	17.4
149.09602	0.9
149.13232	8.9
149.50594	0.8
151.11211	1.0
155.08560	2.3
157.10097	8.1
159.11674	16.3
161.09479	0.8
161.13222	10.1
163.11185	1.5
163.14809	3.2
165.05450	4.7
165.12807	0.8
169.10147	2.8
171.11656	7.8
173.13231	12.2
175.14809	4.9
177.12799	0.8
178.08261	0.8
183.11674	3.7
185.13243	5.9
187.14793	6.6
189.16405	2.8
197.13252	2.8
199.13258	1.1
199.14851	4.3
201.16418	3.7
203.14304	1.1
203.17908	0.9
211.14783	1.1
213.14627	1.0
213.16386	3.1
217.15828	0.9
217.19502	1.1
219.17381	1.1
225.16365	2.0
227.18048	1.1
229.19582	1.0
231.17455	1.4
233.19087	1.0
235.16960	1.2
239.16132	0.9
241.17686	3.6
245.19116	1.3
257.18991	1.2
259.20609	4.5
261.22092	2.0
263.20111	1.1
264.98608	0.8
273.22192	1.6
275.20071	1.3
279.19653	0.9
281.21378	1.0
285.22107	1.5
287.23792	2.3
289.21646	0.9
297.22141	1.0
299.23645	2.5
301.25110	1.7
303.23004	0.8
311.23877	0.9
313.25168	1.5
315.23114	1.0
317.24728	1.3
319.26230	1.1
327.26938	1.6
331.26300	1.5
333.24271	2.0
335.25620	0.8
337.25113	0.9
405.30093	2.6
407.28149	1.4
407.32751	4.2
419.31805	1.1
425.28992	1.5
425.34171	14.0
443.35049	8.5
461.36404	1.1
463.35425	1.8
481.36557	1.0
499.37802	16.3
500.37897	1.7
517.38831	100.0
518.39252	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	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03930	1.7
55.05504	14.8
57.03428	6.5
57.07068	2.6
65.03965	1.6
67.05154	3.1
67.05499	35.7
69.07066	19.6
74.49205	1.4
79.05484	28.3
81.07052	41.2
83.04957	1.6
83.08625	9.2
89.09727	1.4
91.05467	21.7
93.07035	31.4
95.04993	3.6
95.08601	30.4
97.06530	4.1
97.10163	4.6
99.66810	1.5
105.07015	25.2
106.68990	1.5
107.08572	20.6
109.06506	2.2
109.10123	15.3
113.00016	2.5
117.07014	9.9
119.08580	26.3
121.06537	2.6
121.10125	16.0
123.08064	2.2
123.11698	5.6
128.06197	2.4
129.06984	5.3
130.60001	1.6
131.08534	19.9
133.02837	10.6
133.10115	19.4
135.08000	2.2
135.11688	10.7
143.08549	9.0
145.10123	18.3
147.11665	14.5
149.13257	8.6
157.10126	6.3
159.11649	14.9
161.13257	7.3
163.14822	2.0
165.05545	2.1
169.10185	1.9
171.11650	8.0
173.13251	9.3
175.14847	4.8
183.11731	3.7
185.13286	5.6
187.14790	4.1
189.16341	2.7
199.14847	4.6
201.16402	2.6
213.16406	2.8
214.05084	1.7
215.80338	1.5
217.15868	1.8
217.60059	1.5
241.19753	2.0
253.35693	1.8
259.20731	2.5
261.21942	1.6
273.22189	1.8
299.23682	1.7
301.25406	2.3
313.25177	3.7
324.09991	1.6
325.21405	1.5
333.24069	2.9
345.03430	1.6
405.30038	4.1
407.32968	3.9
425.34158	14.1
443.34869	8.0
499.37888	19.1
517.38831	100.0
518.39233	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	518.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01869	1.7
57.03432	10.3
61.02920	4.2
69.03420	11.1
69.50594	1.9
70.06575	1.5
71.04975	1.3
72.08118	0.8
73.02901	1.3
81.03394	4.9
83.01339	0.8
84.04519	0.8
84.08112	1.4
85.02892	30.0
86.09669	1.4
87.04428	1.1
91.03917	1.5
95.08604	1.1
97.02875	13.0
98.23461	1.6
99.04432	4.5
101.02341	1.0
103.05447	1.1
109.02863	4.0
110.07115	0.8
111.04427	0.8
115.03894	1.5
117.05496	2.4
123.04387	1.8
127.03896	9.0
129.10199	0.7
131.04904	2.3
131.07013	26.5
132.52849	0.7
135.04355	1.4
145.02861	1.4
145.04935	9.8
147.04375	10.1
149.02342	3.7
149.06001	0.8
159.04372	0.9
159.06529	1.7
161.05962	1.7
163.03867	12.3
163.05975	1.2
164.04254	1.4
171.89063	0.8
175.03926	1.9
177.01797	5.9
177.05424	2.9
177.07516	5.1
180.08583	1.4
183.04379	0.8
185.05882	1.1
187.03841	2.4
189.05513	2.3
195.03006	0.9
203.03357	100.0
204.03708	2.6
205.04961	7.1
213.05434	1.1
215.03340	8.1
217.04861	0.9
219.02892	1.4
221.04396	1.1
229.04903	2.7
231.02832	13.8
233.04387	7.0
243.10201	1.4
256.06033	0.7
259.05984	1.3
261.03888	11.6
264.61942	0.7
271.05707	5.2
275.05438	0.9
279.04962	20.9
291.04950	27.4
292.05423	0.7
303.04968	3.2
317.01663	0.8
321.06012	9.4
321.11649	5.2
339.07047	34.4
356.09674	2.6
357.07901	1.1
518.15503	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	518.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18412	0.8
54.95803	0.8
55.05488	1.5
56.04997	1.1
61.76424	0.9
65.03926	1.6
65.10497	0.7
66.40091	0.8
67.05467	3.1
69.03422	1.6
72.65863	1.0
74.06072	75.5
75.06380	1.1
79.05453	2.2
80.04979	1.5
81.03406	0.9
81.07047	1.2
83.04967	5.3
84.04465	1.3
85.02366	0.8
85.02882	1.6
88.24379	0.8
91.05433	3.2
93.07024	1.0
95.04912	1.9
102.05471	1.6
103.05457	0.9
104.04919	2.3
105.05769	4.2
105.07012	1.2
106.06527	0.9
107.04893	1.2
111.04435	5.5
119.08505	1.1
120.06557	2.1
120.08077	4.5
121.10147	0.8
122.06038	1.1
123.06765	2.3
131.04877	1.2
133.02792	2.9
133.05225	36.5
134.06029	5.2
136.07498	2.6
137.05923	2.9
139.03912	1.2
141.06934	4.5
145.82156	0.9
146.03246	1.0
147.06699	2.2
148.07555	100.0
149.07886	1.9
150.05470	2.6
151.06189	2.2
152.07086	1.1
153.06885	2.0
155.04895	1.3
157.06496	1.4
163.03934	1.2
164.06963	2.5
165.07916	4.8
166.08519	1.1
169.06487	5.5
171.07927	1.1
173.05995	0.8
178.05049	0.9
179.03304	3.6
181.06413	4.2
183.04353	1.7
191.03238	1.3
195.35323	0.8
197.05957	11.1
198.06267	0.9
199.07327	1.0
201.05383	1.8
213.05351	1.1
215.06961	0.9
225.03392	1.4
225.05432	20.1
229.05008	1.0
237.05301	1.5
243.06523	1.5
249.05341	2.2
253.04938	72.7
254.05402	3.6
267.06497	4.5
271.05969	12.4
276.06482	1.8
281.08002	1.0
294.07327	2.2
308.09131	4.1
312.08484	2.2
326.10251	7.1
350.22900	1.2
368.24023	2.2
399.10461	2.0
445.11172	10.2
500.15540	4.9
517.29291	2.3
518.16064	29.1
518.29468	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	518.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08242	0.5
60.04515	0.5
64.53727	0.4
69.03418	3.7
69.07088	0.5
69.17754	2.9
75.04456	3.7
76.10796	0.4
81.03410	3.6
84.04494	2.4
85.02894	25.1
91.05464	0.6
93.07043	0.8
95.08592	0.6
97.02875	5.2
99.04466	1.2
103.03926	5.1
108.04539	0.6
109.02869	3.1
115.03873	0.7
115.05486	0.6
117.05479	100.0
118.05808	1.4
127.03910	6.5
129.06642	0.6
130.04971	1.1
137.05968	2.5
137.57549	0.5
145.02887	3.7
145.04935	15.5
149.05984	0.7
163.05998	13.9
175.07570	0.5
177.05447	7.9
198.52164	0.5
199.06113	0.7
206.49042	0.4
217.07002	1.2
229.07040	1.2
238.43578	0.5
249.18355	0.5
271.08057	1.8
289.09143	3.5
307.10168	2.7
349.83273	0.6
354.22794	0.7
368.53473	0.5
482.28351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08712	0.4
50.35202	0.4
53.03933	1.1
55.01868	4.7
56.96569	0.8
57.03422	1.3
59.04986	1.4
69.03421	10.0
71.04992	0.6
73.02897	1.1
74.45676	0.4
81.03400	3.6
84.08138	0.5
85.02896	7.8
87.04455	4.8
91.03938	0.4
97.02879	11.8
98.97504	0.6
99.04431	1.5
109.02866	2.9
111.03120	0.4
113.74984	0.4
114.47223	0.4
115.03915	100.0
116.04252	0.9
116.98584	0.5
127.03900	7.4
133.04953	14.7
145.04919	3.3
157.74931	0.4
158.26366	0.4
159.06490	1.0
163.03888	1.0
176.49661	0.5
187.06026	0.9
189.03964	0.4
190.01929	0.4
203.03383	1.8
207.04869	0.4
221.10654	0.4
223.05890	0.5
223.98639	0.5
241.07129	1.8
256.70129	0.4
259.08084	13.2
277.09137	18.2
279.04962	0.4
303.07257	0.9
303.10547	0.6
321.11673	1.6
339.06955	0.6
356.53363	0.5
497.04709	0.4
518.12524	0.6
533.37244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60281	2.0
70.70558	2.5
85.02876	2.4
89.18453	2.0
91.05482	4.1
111.35291	2.3
118.06525	21.8
131.06979	2.8
131.08475	1.9
132.08101	5.6
143.07259	3.6
144.08075	14.2
144.09010	2.2
146.06003	65.4
159.09183	5.3
160.04218	2.9
170.05957	4.4
188.07063	100.0
203.03392	3.1
205.09700	33.4
219.01967	2.0
265.30945	2.1
281.72906	2.3
420.24512	2.2
472.65039	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	518.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01858	1.5
57.03421	3.3
61.02931	2.5
67.05475	1.3
69.03416	13.2
69.07073	1.1
70.04539	2.9
71.04984	6.4
73.02910	5.3
81.03405	18.9
81.07044	3.7
83.04019	1.1
83.04959	1.2
85.02894	65.0
87.04475	1.2
91.03893	1.3
91.88551	1.2
93.07027	1.6
95.08600	2.0
97.02880	34.4
98.23345	1.4
99.04441	45.2
103.03924	71.0
105.07014	3.4
107.04926	1.1
107.08590	1.8
108.04449	2.1
109.02863	21.6
109.06480	1.0
115.03937	2.0
117.07006	1.2
119.08545	2.3
121.10128	1.5
127.03895	100.0
133.10126	1.7
135.08075	1.5
145.04939	63.2
148.06044	1.2
154.06224	6.0
161.05891	1.4
163.06010	34.3
163.07489	5.0
167.07118	2.2
173.05937	1.8
187.05978	6.3
189.84578	1.2
195.10144	12.1
205.06953	2.1
207.10208	4.0
209.07823	1.1
247.08138	1.5
270.27509	1.6
271.08069	9.7
273.77463	1.3
285.11313	2.0
289.09210	4.6
303.12207	2.7
307.10229	3.7
320.75986	1.1
339.14133	2.6
518.19824	53.3
518.32690	2.6
519.19971	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	518.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10988	10.9
55.05494	17.5
56.19558	9.8
67.05489	19.7
69.03412	13.0
69.07055	37.2
69.87250	18.0
69.87559	17.2
71.04953	9.7
75.72071	10.8
79.05489	33.5
81.07050	47.4
83.08622	17.6
85.02918	12.9
86.16983	9.7
91.05470	19.9
93.07045	78.5
95.08612	59.5
105.01926	14.9
105.07011	54.6
107.08597	100.0
109.02885	13.5
109.10189	19.5
111.11752	11.4
119.08568	59.8
121.06493	11.7
121.10146	37.5
125.05997	14.0
133.10136	89.5
135.11629	73.3
137.05960	17.7
145.10150	14.5
147.11655	57.7
161.09636	14.9
161.13338	15.7
167.05525	14.4
173.13240	18.3
175.14833	13.4
175.82526	10.6
179.10684	32.7
189.16339	77.2
217.15784	26.2
225.43932	13.2
235.17007	38.4
265.10376	15.1
307.98740	11.8
470.16473	11.1
518.26495	24.2
518.49451	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
55.62833	0.1
55.68807	0.1
56.05030	1.0
57.03433	0.8
57.07067	5.0
58.06570	0.9
59.07348	0.1
60.08152	5.5
67.05489	1.7
69.07063	0.9
69.35413	0.6
71.06966	0.2
71.07360	4.3
71.08219	0.2
71.08612	3.2
79.05476	0.4
81.07043	2.0
83.08612	1.1
85.10161	1.7
86.09689	20.4
87.66969	0.1
89.05991	0.2
91.05464	0.5
93.07021	0.4
94.07328	0.2
95.04903	0.2
95.08585	2.5
97.10139	0.5
98.22704	0.3
104.10722	100.0
105.07002	0.2
105.11063	0.6
107.08559	0.4
109.10123	1.1
112.05048	0.2
117.07007	0.1
119.08559	0.2
121.10092	0.3
123.11675	0.5
131.08508	0.3
145.10129	0.2
146.98149	10.3
149.22069	0.1
153.12770	0.1
164.99226	0.3
165.39534	0.1
173.54648	0.1
176.99179	0.5
183.78123	0.1
184.07394	0.2
191.06935	0.1
208.40054	0.1
239.23653	0.2
257.24786	0.2
308.22864	0.2
313.27289	5.8
415.22183	0.6
459.24719	47.5
460.25116	1.3
500.34372	0.6
518.31970	17.3
519.32477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01902	0.5
55.05497	0.8
56.05019	1.1
58.06598	1.4
59.07353	0.5
60.08155	19.1
60.08461	1.1
67.05499	2.8
69.07058	0.7
70.06570	0.6
71.07367	5.9
79.05476	1.8
81.07027	1.7
83.57949	0.5
86.09690	49.8
88.86423	0.4
91.05466	1.1
93.07013	1.6
95.08595	1.9
98.23501	1.1
98.98440	3.5
104.10725	100.0
105.11038	0.5
107.08607	0.5
124.99981	29.0
135.11612	0.4
137.35231	0.5
163.01546	0.8
184.07309	94.3
258.11090	1.1
335.25809	0.7
384.36508	0.5
482.84888	0.5
500.31216	7.2
518.32343	21.4
519.32623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.1
56.05025	0.5
57.03416	0.1
58.06622	0.3
60.08153	6.4
67.05500	0.7
70.06563	0.1
71.07360	3.4
79.05476	0.4
80.97390	0.1
81.07032	0.6
86.09687	31.3
87.10014	0.2
91.05463	0.2
93.07024	0.3
95.08588	0.3
98.98445	3.2
104.10723	3.1
107.08588	0.2
109.10160	0.1
124.99979	21.9
143.00957	0.1
184.07303	100.0
185.07642	0.9
221.59373	0.1
258.10999	0.2
287.25745	0.1
335.25720	0.2
500.31110	1.0
504.82748	0.1
518.32275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
56.05032	1.2
58.06590	1.4
60.08154	17.9
67.05503	2.6
69.07059	0.9
69.65859	1.3
69.72973	0.3
71.07365	7.8
75.03573	0.4
79.05475	2.4
81.07047	2.1
83.08596	0.6
86.09693	50.5
86.90251	0.3
87.10015	0.4
91.05476	1.6
91.92140	0.3
93.07033	2.6
95.08592	1.3
98.23384	0.7
98.98453	4.2
104.10726	94.7
105.07008	0.7
105.11086	1.1
107.08562	1.4
109.96567	0.4
117.07026	0.5
119.08553	0.6
124.99980	30.7
163.01590	0.5
184.07310	100.0
185.07686	0.9
258.11032	1.6
264.47519	0.4
295.88144	0.4
311.37112	0.5
335.25714	0.8
500.31253	7.3
501.31744	0.5
518.32300	19.3
519.32733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73875	6.0
55.05509	9.7
67.05498	37.6
69.07060	9.2
69.11740	5.2
69.88127	4.9
71.42015	5.4
79.05466	30.2
81.07056	40.8
83.08625	9.3
85.02877	8.9
85.06522	5.9
91.05454	19.8
93.07042	47.9
95.08575	40.0
95.66033	4.8
97.02876	5.5
97.06493	4.6
99.08094	6.6
104.07103	10.6
104.10748	9.2
105.06981	16.0
107.08564	23.3
109.10144	22.1
109.18771	5.6
119.08548	22.3
121.10110	31.2
123.11692	17.1
131.08534	22.3
133.10120	18.6
135.11693	55.2
137.13306	7.1
145.10072	20.5
147.11668	14.6
149.13240	29.4
159.11690	13.1
171.21361	5.8
173.13266	21.1
205.19583	12.1
215.17892	94.4
233.18982	100.0
244.01042	5.8
249.20743	5.9
259.66870	5.8
307.22516	24.7
325.23642	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	518.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	7.5
61.02919	9.8
65.36887	5.1
67.05486	40.7
71.04958	6.0
77.36032	4.6
79.05482	34.0
81.07044	38.6
83.08621	5.7
85.02892	8.0
85.06480	5.6
90.58416	4.7
91.03912	5.4
91.05471	17.7
93.07027	43.2
95.04948	6.4
95.08603	23.1
105.07004	14.1
107.08580	23.4
109.10133	24.2
113.09674	6.2
117.06935	7.1
119.08551	13.4
121.10089	35.2
123.11684	15.5
131.08560	15.6
133.10117	20.4
135.11685	48.8
137.09612	6.7
137.13310	4.9
141.25610	4.9
142.36559	4.7
145.10110	12.8
147.11713	14.6
149.13226	32.8
159.11682	19.0
161.13248	5.6
167.23277	4.7
173.13287	17.8
175.14786	5.9
192.35591	4.6
205.19571	10.0
205.63008	5.6
215.17937	85.6
215.19981	6.1
233.18991	100.0
307.22452	8.3
321.36246	5.1
325.23822	18.8
387.39651	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	519.113
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03938	0.1
53.99162	0.1
67.01848	0.4
68.99799	0.4
69.03416	0.2
81.03406	0.1
81.07045	0.2
84.04491	0.1
85.02887	0.2
91.05411	0.5
95.08592	0.1
97.02881	0.1
105.07027	0.2
109.06473	0.1
115.05404	0.1
119.04926	1.7
121.02866	0.6
122.03645	0.2
123.11701	0.1
127.03873	0.2
129.01794	0.2
129.07001	0.1
131.04912	0.1
137.05977	1.3
145.02808	0.7
145.06596	0.1
153.01810	4.1
157.09709	0.1
161.05969	0.3
163.03870	0.4
169.06502	0.1
171.02859	0.6
175.07558	0.1
187.03867	0.2
187.07512	0.4
203.07065	0.2
225.05458	0.5
229.04965	0.3
243.06360	0.2
247.06248	0.2
271.05963	100.0
272.06329	2.9
297.11142	0.1
299.06229	0.1
433.11197	1.0
487.17145	0.1
518.30023	0.1
519.11224	1.4
519.18726	0.2
519.30743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89154	0.8
53.21321	0.7
69.61713	1.5
69.62093	1.9
85.02901	1.1
97.02873	0.7
97.65743	1.0
99.04478	2.0
116.98573	0.9
133.05186	1.0
134.05962	1.0
151.06682	0.7
163.03896	2.3
176.07072	1.3
189.34821	0.9
190.89957	0.7
195.11157	1.0
206.08270	1.8
213.96643	0.8
271.05737	100.0
272.06143	3.5
299.06165	1.0
303.55695	0.8
519.20782	3.8
529.81335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
67.77686	0.3
69.42712	1.8
70.78236	0.3
77.35452	0.4
84.08112	0.5
85.02850	0.6
86.09655	0.5
130.72667	0.5
137.05997	0.5
145.02824	0.6
177.05486	0.7
206.01656	0.4
207.13800	0.7
271.05682	6.3
272.06265	0.5
349.05215	1.6
351.07071	0.6
357.15057	0.6
423.96255	0.5
461.14185	7.5
519.18329	100.0
520.18707	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
67.77686	0.3
69.42712	1.8
70.78236	0.3
77.35452	0.4
84.08112	0.5
85.02850	0.6
86.09655	0.5
130.72667	0.5
137.05997	0.5
145.02824	0.6
177.05486	0.7
206.01656	0.4
207.13800	0.7
271.05682	6.3
272.06265	0.5
349.05215	1.6
351.07071	0.6
357.15057	0.6
423.96255	0.5
461.14185	7.5
519.18329	100.0
520.18707	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.05493	0.5
56.03135	0.3
57.03416	0.4
58.06588	0.7
65.03918	0.5
67.05492	0.5
69.03410	1.8
70.06579	1.0
73.02901	0.8
79.05478	0.7
81.03384	1.3
81.07037	0.9
83.04957	0.4
83.06065	0.7
84.04479	1.8
85.02885	1.6
89.03903	1.6
91.05468	1.3
93.07018	1.5
94.06544	1.1
95.04939	0.9
95.07329	1.1
95.08600	0.9
96.08112	2.2
97.02877	0.7
97.06514	0.6
103.05443	0.9
105.03378	0.6
105.06998	1.1
107.08572	0.8
108.08088	1.6
109.10178	0.6
110.09663	4.3
116.04961	6.0
119.08539	0.5
120.08089	3.1
121.10104	0.5
122.06005	3.5
123.08041	1.6
127.03886	0.7
129.06601	0.9
130.04916	1.2
131.04898	1.2
132.04378	0.6
133.06482	0.5
133.10098	0.5
134.05997	0.5
136.07570	4.4
137.05965	3.4
138.09120	4.3
144.04433	11.5
145.04976	0.6
146.05991	1.5
147.07669	0.6
147.11705	0.6
148.03972	0.9
148.07542	1.6
149.55362	0.4
151.07474	0.6
161.05969	0.7
162.05486	4.5
163.03792	0.4
163.07579	0.5
165.12703	0.5
166.08604	10.0
167.54283	0.4
172.03909	50.7
173.04318	1.2
174.05473	1.0
175.07545	0.7
187.01534	0.4
187.07420	0.9
190.04962	7.3
199.07529	0.6
204.06531	100.0
205.06880	2.4
207.13724	1.1
217.08487	0.8
225.14693	0.5
249.05501	0.6
251.11786	0.8
319.22476	0.6
321.11273	1.0
325.11746	1.3
329.14923	1.1
334.09009	2.4
339.13196	1.7
340.13950	0.5
343.12863	0.5
357.14404	8.2
366.11667	0.6
413.84341	0.5
447.28149	0.5
462.68350	0.4
469.15854	0.7
472.09351	0.4
487.16650	0.7
501.18829	1.3
519.18097	2.9
519.25446	0.7
519.31409	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	519.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49068	0.4
61.02893	0.5
65.42861	0.5
69.03422	1.6
70.06574	1.0
70.19306	0.4
73.02891	0.5
79.05464	0.6
81.03393	1.5
85.02901	1.8
85.95235	0.5
89.03902	1.0
91.05441	0.8
92.09452	0.4
93.07037	1.2
94.06553	1.2
95.04964	0.8
95.07355	0.7
95.66796	0.6
95.71423	0.6
96.08112	2.3
97.02862	1.5
108.08099	1.4
110.09670	3.5
116.04957	5.4
116.67076	0.5
120.08090	3.3
122.06019	3.0
125.86474	0.6
127.03928	1.3
134.06001	0.7
136.03835	0.5
136.07579	4.9
137.05951	5.4
138.09131	4.8
144.04425	11.2
145.02762	0.8
146.05977	1.3
148.03952	1.0
148.07545	1.5
149.05977	0.6
151.07578	0.6
161.05952	0.9
162.05508	3.3
163.03963	0.6
166.08635	10.1
172.03912	52.1
173.04308	0.9
174.05519	1.1
177.05453	1.4
190.04968	8.3
199.07625	0.5
203.07050	0.5
204.06534	100.0
205.06789	2.0
205.08549	0.6
222.07639	0.5
241.13110	0.5
256.67181	0.5
279.11172	0.7
309.11462	0.7
325.11749	2.0
329.14960	1.5
334.09018	2.8
339.13364	3.2
343.12964	0.8
357.14340	9.4
366.11780	0.8
409.03815	0.6
487.16965	0.7
501.18640	1.3
519.17719	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	519.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31673	0.9
55.01844	1.2
56.18633	0.9
69.14372	1.0
71.42522	1.1
79.05504	5.1
80.28187	1.0
81.07058	1.2
89.03905	10.4
91.05445	1.8
94.04182	1.6
95.04958	2.6
103.05444	5.7
105.07018	21.9
105.07722	1.4
107.04942	1.2
117.03357	20.6
122.03596	5.6
124.05159	1.4
131.04915	9.7
133.06476	19.4
134.03618	3.2
135.04398	1.3
137.05959	46.6
145.02824	55.7
147.08160	1.0
149.05943	7.5
161.05957	2.9
163.07526	3.9
165.09090	14.8
177.05440	100.0
178.05739	1.3
179.07079	1.3
186.05571	1.3
189.05402	1.6
189.06927	2.2
206.07245	1.4
217.06456	1.9
220.05096	4.7
234.06654	6.5
235.07475	15.0
245.05907	1.2
248.04732	1.1
249.09081	10.1
251.07072	1.7
262.06235	2.6
263.07001	29.8
264.07578	1.1
265.08408	1.2
277.08539	17.2
278.08746	1.1
279.06799	1.3
280.07147	1.2
295.09616	30.9
296.10040	1.7
299.06335	1.4
309.11203	17.2
322.08319	1.2
323.12830	1.4
337.10626	20.5
341.13818	3.8
347.25751	2.4
355.11511	2.1
365.26852	4.1
411.12927	1.0
421.29489	8.1
439.30179	2.0
519.19885	5.7
519.26514	1.9
519.38989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39624	0.5
55.05523	0.5
56.99903	0.5
57.03403	0.8
61.02930	0.7
67.05497	1.2
69.03402	2.8
70.06593	1.0
70.49140	0.7
73.02911	1.6
79.05490	1.2
81.07043	1.1
83.04979	0.7
84.04501	0.5
85.02897	2.0
85.06499	0.6
85.15144	0.6
86.09683	0.8
91.05409	0.6
91.73602	0.6
92.28834	0.6
93.07031	1.5
95.02073	0.6
95.04945	0.6
95.08617	0.9
97.02908	1.2
97.06543	0.7
99.04490	0.7
105.07028	1.2
107.08585	0.9
109.06549	0.8
109.10166	1.2
115.03948	0.7
119.08601	1.0
121.10138	0.7
122.03646	1.5
123.08079	0.8
125.06004	0.9
127.03907	0.6
130.42389	0.6
131.04945	0.6
133.02928	0.6
133.04956	1.1
133.10133	1.8
137.05956	13.7
137.09581	0.7
141.09074	0.6
143.04887	0.7
143.44621	0.5
147.04492	0.8
147.11639	1.1
149.09715	0.9
151.03894	1.2
151.07527	0.7
153.09096	0.7
161.05937	1.0
163.11198	0.8
165.12776	1.0
172.03911	0.7
173.13261	0.6
175.07466	0.6
177.05513	0.6
179.06982	1.1
187.07521	0.7
189.09183	0.7
189.12785	1.1
191.07018	0.7
191.14268	1.4
203.05313	1.1
204.06548	0.9
207.13783	3.5
225.14784	0.7
259.07907	0.9
317.52838	0.7
321.11118	0.7
347.12549	1.2
357.18768	2.2
459.22202	1.0
487.21585	1.6
501.09286	0.8
519.17999	3.6
519.24164	100.0
519.30792	4.5
520.24280	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	519.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.0
57.03435	2.7
57.75869	1.2
67.05511	1.8
68.40063	1.2
69.03416	7.9
69.07062	1.7
71.92979	1.3
72.56924	1.4
79.05527	1.8
81.07043	4.5
83.04969	3.5
85.02900	15.6
86.06135	1.2
87.04480	3.0
91.05475	2.5
93.07043	3.1
95.04980	2.6
95.08592	3.1
97.02884	7.3
97.06551	1.7
103.90188	1.4
105.07048	3.9
107.08586	4.9
109.06512	10.7
109.10164	2.5
111.08089	5.4
115.03926	5.5
119.08604	5.5
121.10138	9.7
123.08076	3.7
123.11684	9.2
131.08600	2.1
133.02827	2.3
133.04968	7.1
133.10152	2.3
135.08064	1.3
137.05986	6.7
137.09595	15.5
137.13271	2.2
145.10109	2.8
147.11696	8.6
149.09648	4.1
151.07570	4.3
158.91101	1.3
161.13263	3.5
163.11278	1.3
165.12732	48.5
167.07077	1.5
171.11725	2.3
179.14317	4.0
189.12744	8.3
207.13760	44.2
217.07840	1.5
335.12750	1.4
357.18936	2.4
487.21429	2.4
519.24231	100.0
519.30859	5.4
520.24390	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	519.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
57.03429	4.3
61.02913	2.5
67.05504	3.8
69.03418	8.6
69.07057	8.3
70.06585	8.7
71.44320	1.8
72.08144	3.1
73.02897	9.9
81.03415	2.1
81.07027	3.2
85.02907	12.9
86.09701	13.3
91.05453	4.3
93.07047	2.2
95.08598	24.9
97.02884	6.5
100.11244	84.7
105.03376	2.0
105.07021	9.4
107.04960	1.7
107.08590	4.9
109.06519	2.2
109.10131	3.3
115.03893	2.9
115.05434	1.7
117.07026	2.1
119.08582	15.2
121.10123	6.6
122.03638	5.1
123.08048	6.9
127.03876	2.9
133.04945	2.5
133.06453	3.9
133.10121	11.4
135.11694	16.3
136.07568	3.2
137.05963	100.0
137.09624	4.7
138.06212	2.5
143.04922	7.1
145.04868	3.0
145.10144	3.7
147.07959	3.9
147.11670	15.8
149.09602	12.4
151.03914	14.1
151.04964	3.2
151.07550	3.0
151.11137	3.0
161.05968	2.0
161.09572	2.0
161.13240	30.7
162.05510	1.8
171.11688	3.2
174.10472	1.9
175.07565	4.1
188.10738	2.9
189.11157	3.4
189.12714	39.2
201.03705	2.2
203.06924	2.3
204.06601	2.5
205.08615	3.1
207.13773	51.9
208.14113	1.8
211.14450	4.6
225.14876	5.1
287.39981	1.9
327.12204	13.9
357.13251	9.0
370.12573	1.7
420.21173	16.6
519.17554	29.8
519.24158	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	519.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02921	3.7
51.92836	3.7
55.05479	3.9
57.35767	3.5
67.05502	13.0
69.03428	8.8
70.96996	4.9
79.05477	4.4
85.02899	10.9
85.06530	9.4
92.04560	4.2
93.07043	8.1
95.08593	71.3
95.09137	6.8
97.02895	4.7
100.94795	4.1
105.07013	10.7
107.08596	6.5
113.06001	12.5
119.08585	13.4
121.10155	8.3
123.08069	24.0
124.07573	4.3
135.11740	10.7
137.05952	4.6
147.11632	7.5
149.09610	49.0
161.13251	13.9
163.11166	14.2
165.12769	11.3
189.12703	22.3
207.13795	100.0
208.14310	4.0
233.11636	3.9
519.17798	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	520.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.6
67.05494	1.1
69.03416	3.0
70.03757	1.2
70.04070	0.7
71.04979	36.2
72.05316	0.6
73.02863	0.6
81.03403	2.3
81.07043	0.9
85.02874	4.4
85.06049	0.6
85.06537	8.2
93.07025	1.1
95.04951	2.0
95.08607	1.1
97.02884	4.9
99.04456	1.1
105.07030	0.7
109.02859	2.8
109.06495	2.4
113.05982	5.8
115.03922	1.3
119.08526	0.8
125.34542	0.7
127.03871	3.4
127.07539	17.2
128.92020	0.8
131.07011	8.1
131.08562	1.5
133.05003	0.8
133.10117	3.5
135.07976	0.8
137.05914	0.8
145.04926	3.0
145.08577	100.0
146.08879	1.4
151.03877	1.2
155.07007	0.8
158.10895	0.8
173.08089	1.8
173.13248	2.9
185.08055	1.4
191.09116	4.7
191.14258	6.2
209.15363	1.8
257.10165	1.2
275.11197	0.9
299.11124	0.9
309.26651	0.7
311.29135	0.7
317.12442	0.7
335.13388	0.8
365.72156	0.7
436.21463	0.6
440.34924	0.7
497.07455	0.8
505.93024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05499	2.1
57.03431	13.3
58.06597	1.4
58.41644	0.7
60.04496	1.6
61.02917	1.2
65.03921	0.9
65.29814	0.9
69.03425	5.0
69.14005	0.9
71.04985	90.0
73.02902	2.3
75.04462	4.9
79.05484	1.6
81.07044	3.1
83.04523	1.3
83.04974	13.5
84.04486	2.0
85.02895	100.0
87.04452	2.9
91.05456	2.3
93.07019	2.0
95.04959	1.5
95.08611	1.6
97.02855	3.0
97.55654	0.8
98.22711	2.7
99.04437	3.7
103.03854	0.9
103.05434	5.1
105.07005	3.6
107.04982	5.7
107.08567	1.7
109.02912	1.0
109.10145	1.8
111.04440	5.4
117.06998	1.0
117.62385	1.0
119.08559	1.8
120.08053	1.1
121.06527	1.0
123.08012	1.4
127.03901	3.4
129.05461	38.2
131.04871	1.8
131.06999	1.4
131.08511	1.5
133.02838	3.1
133.06424	1.1
133.10138	1.6
135.08060	5.9
137.05963	6.5
139.03883	2.9
145.04955	1.9
145.08580	5.3
145.10048	1.2
146.08066	1.3
147.04507	0.9
147.06502	17.0
151.03929	1.2
151.07585	1.3
154.06236	24.7
159.11601	0.9
162.07617	2.4
163.07520	18.9
164.09164	3.9
167.07002	1.8
170.69682	0.9
173.05937	2.0
173.62480	0.9
175.07491	1.4
176.74391	0.9
180.07526	1.0
180.08821	1.4
195.10139	62.8
205.08505	1.6
207.10126	4.8
219.10204	2.2
219.17471	1.3
221.08041	2.4
226.86513	1.0
259.13293	2.0
269.98843	1.0
271.06140	1.5
272.06281	1.8
287.12582	1.9
305.13901	6.9
479.45355	0.8
520.22778	3.0
520.31512	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	520.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05505	9.0
57.03434	7.2
57.07057	0.8
60.04531	0.8
60.08151	1.6
65.03909	1.4
67.05492	34.3
68.18949	0.7
68.28883	0.6
69.07051	7.4
69.18317	1.8
69.18724	1.7
71.04971	0.7
73.43819	0.6
79.05483	16.3
81.06557	1.4
81.07042	28.3
83.08601	2.4
86.09698	3.5
87.10006	1.2
88.03974	7.1
91.05466	9.1
93.07030	17.1
95.04942	3.2
95.08590	22.2
98.98451	8.3
104.10721	5.1
105.07003	4.8
105.11024	1.2
106.05025	2.2
107.08575	8.8
109.06494	1.2
109.10139	8.5
117.06987	1.3
119.08571	2.7
121.10130	6.0
123.11711	2.4
124.23408	0.7
124.93739	1.8
124.99996	3.2
131.08524	2.0
133.10109	2.5
135.11674	3.6
137.09648	0.8
137.13220	1.0
145.10112	1.8
147.11644	1.2
149.13266	1.0
161.13229	0.9
163.14708	0.8
167.97992	1.3
168.88620	0.7
173.02110	1.4
184.07338	4.9
185.07635	2.0
186.07797	1.5
261.22165	1.7
335.25742	100.0
336.25998	4.6
348.25290	2.3
459.18835	5.5
502.32059	1.0
520.24011	4.3
520.32422	2.3
540.89050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
55.05497	2.7
57.03424	3.7
57.07060	1.9
59.05013	1.4
59.78168	1.4
60.81382	1.2
61.02927	1.2
61.92580	1.1
67.05491	2.8
69.03420	37.8
69.07056	3.9
70.06549	1.4
70.55913	2.1
71.04983	3.6
73.02905	4.8
79.05480	4.2
81.07043	5.2
83.04967	4.1
84.04523	1.8
85.02886	10.6
85.06528	2.9
87.04466	2.5
91.05461	5.8
93.07029	3.0
95.08586	7.6
97.02867	8.8
97.06526	2.6
99.04443	3.8
99.66721	1.3
105.07021	4.1
107.08582	39.2
109.02850	1.4
109.06517	5.3
109.10158	3.7
111.08074	3.4
115.03922	3.8
119.08569	3.9
121.06540	2.1
121.10117	12.2
123.04504	1.2
123.08076	2.4
123.11699	5.2
125.09612	17.3
127.03938	3.4
127.07537	1.3
131.08539	7.3
133.04939	6.2
133.10101	8.0
135.08041	10.7
135.11674	4.8
137.05936	1.5
140.97398	1.2
143.08565	1.3
145.04979	1.7
145.08578	4.0
145.10114	2.1
147.11696	3.9
149.09616	5.4
149.13258	4.6
151.11180	2.0
153.09064	7.1
158.10841	3.0
163.11179	2.6
163.14807	4.7
165.12761	2.3
165.58659	1.2
173.13235	18.6
177.05498	1.7
191.14281	86.5
192.14651	1.7
209.15346	100.0
210.15793	2.1
286.23541	1.2
380.92172	1.3
520.24573	22.3
520.31909	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	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02199	5.1
55.01865	7.5
55.05513	24.5
57.03433	10.8
57.07059	15.6
59.04988	7.2
67.05498	30.8
69.03426	15.1
69.07059	25.6
69.67855	4.7
71.04992	13.3
79.05495	27.7
81.03403	16.9
81.07043	70.5
83.04966	14.9
83.08620	7.2
85.02898	34.2
87.00835	15.1
91.05444	32.3
93.07034	66.8
94.73263	4.8
95.04951	26.2
95.08595	44.7
97.02882	14.8
97.06512	10.9
99.04457	10.3
105.01855	21.5
105.07021	65.4
107.08587	57.2
109.02876	11.5
109.06456	9.1
109.10142	60.0
111.08058	5.2
117.07011	12.5
119.08567	57.3
121.10130	100.0
123.08053	8.6
123.11696	10.0
125.09621	13.7
126.53378	5.1
126.92511	4.6
127.03870	16.5
127.11151	9.7
129.06976	6.0
131.08551	30.8
133.10112	33.3
135.11681	41.2
137.05971	32.3
138.06323	11.6
143.10657	14.1
145.04930	12.5
145.10124	57.7
147.11655	10.3
149.09607	4.9
149.13228	17.9
151.11154	13.6
159.10159	16.6
159.11646	25.2
161.13255	14.9
163.11191	9.3
172.13235	5.0
173.13211	6.7
175.14783	10.7
179.14290	6.1
183.39297	4.7
191.17999	7.0
201.16350	43.3
203.77925	4.7
207.77472	5.2
219.17447	45.8
226.81670	4.8
231.04984	9.1
237.18559	6.8
260.15463	5.4
287.01297	5.7
378.14191	5.7
419.21783	4.6
520.27814	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	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68411	1.8
53.03937	2.1
55.05505	58.4
57.07071	2.7
58.06606	2.2
67.05499	5.7
69.03433	5.6
69.07060	29.1
70.45174	1.9
71.04984	2.4
79.05479	13.4
81.07049	30.4
83.04966	7.4
83.08599	2.6
85.02890	4.6
85.06536	7.2
86.09664	2.5
91.05445	10.2
93.07040	33.8
95.04964	3.8
95.08589	12.4
97.02869	2.3
97.06544	3.6
97.10162	8.5
98.93164	1.9
99.04445	2.7
99.08070	6.0
103.05472	2.9
105.01865	2.0
105.07020	24.7
107.08588	19.9
109.06526	15.6
109.10131	7.4
111.11691	10.3
111.46444	2.0
117.06998	2.9
119.08587	16.3
120.08078	3.1
121.06529	2.8
121.10133	100.0
123.08026	4.7
123.11683	8.2
127.07568	8.9
131.08566	4.1
133.10155	6.5
135.11682	23.2
137.05945	11.0
137.09607	2.9
137.13243	2.3
139.11191	13.0
139.50337	2.0
141.13348	2.0
143.58301	1.9
143.97758	2.2
145.10144	14.3
146.66428	2.1
147.11626	3.7
149.13297	2.0
151.11183	9.6
155.06903	2.1
155.10664	4.2
159.11702	10.2
161.13214	5.8
163.11159	6.8
175.14931	3.7
177.16394	7.1
181.12149	2.4
191.17845	3.3
201.16348	8.6
219.17358	26.3
252.07779	3.5
266.46182	2.0
526.78448	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73538	0.5
57.03427	0.5
59.04989	0.9
69.03426	0.5
69.29316	2.0
69.29731	0.9
70.06593	0.5
73.02895	0.8
73.06541	1.6
74.44526	0.4
79.06005	0.4
81.03437	0.4
85.02870	0.5
87.04455	10.2
89.06021	100.0
90.06341	0.9
99.04443	0.5
105.06992	0.6
107.07050	1.7
115.21676	0.4
117.09119	1.1
125.74972	0.4
131.04930	0.9
131.07028	2.9
133.08589	60.5
134.08917	0.8
135.10152	0.7
137.05962	2.6
138.06314	1.0
145.10287	0.4
147.21027	0.4
151.03899	1.5
161.05981	1.5
161.08073	1.8
163.07439	0.6
175.09601	1.5
177.11197	20.7
219.12080	0.5
221.13840	3.8
223.15414	0.5
239.14902	1.0
265.16461	1.1
283.17450	1.5
327.19965	0.9
328.12006	0.5
353.21909	0.7
358.13248	0.7
371.22531	0.6
408.45178	0.5
415.25134	0.6
459.27725	1.3
503.30527	7.1
520.18341	0.8
520.34216	2.5
521.13092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
56.05022	0.6
57.03418	0.1
58.06620	0.4
59.07385	0.2
60.08152	6.8
61.01094	0.1
67.05481	0.5
69.07048	0.3
69.12350	0.3
69.12776	0.2
70.06577	0.1
71.07359	3.4
76.55618	0.1
79.05482	0.2
80.97414	0.1
81.07030	0.6
83.08591	0.1
86.09689	33.3
87.10013	0.2
93.07025	0.2
95.08566	0.4
98.22703	0.2
98.98448	4.0
104.10722	3.2
105.06995	0.1
109.10145	0.2
124.99979	24.3
143.01024	0.2
184.07306	100.0
185.07681	0.9
253.64038	0.1
258.10916	0.3
315.30103	0.1
337.27066	0.2
502.32962	0.8
507.16162	0.1
520.33826	1.1
525.38031	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05503	1.3
55.17965	0.7
56.05024	1.6
56.64506	0.7
58.06602	1.8
60.00357	0.6
60.07865	1.2
60.08161	19.7
67.05505	3.2
69.07066	1.2
70.63548	1.4
71.07010	0.8
71.07373	7.6
74.32899	0.6
81.07066	3.1
82.14341	0.6
83.08601	0.6
86.09699	50.4
88.10346	0.6
93.07056	1.0
95.08588	1.5
98.98459	3.3
104.10737	100.0
105.11072	0.8
113.75143	0.8
124.99996	27.9
141.33534	0.6
184.07330	95.2
185.07652	1.1
245.45110	0.6
258.10995	1.3
268.61758	0.6
292.91138	0.7
337.27316	0.9
344.56131	0.6
502.32947	7.9
520.33966	27.3
521.34399	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62425	0.3
65.02993	0.3
70.10847	0.3
81.07053	0.4
86.09706	0.3
93.07042	0.3
105.06981	0.4
107.08632	0.4
129.82022	0.3
129.92455	0.3
137.05988	1.1
153.05193	0.4
161.05965	0.4
167.07045	0.3
177.09076	0.6
198.35818	0.4
213.07307	1.2
267.93024	0.3
289.05325	0.3
297.09210	0.4
357.11569	3.0
391.09912	0.4
461.14111	2.2
521.16241	100.0
522.16547	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	521.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.2
55.01853	1.0
59.12448	0.9
65.03940	1.4
67.05499	5.9
70.51359	2.1
76.36743	1.0
78.04710	1.0
79.05476	6.3
81.07049	5.1
83.01324	1.2
83.08582	0.9
89.03919	1.1
91.05451	8.2
93.03435	1.1
93.07038	6.1
95.04959	3.4
95.08593	3.9
98.22767	1.1
103.05450	8.7
104.06248	4.5
105.03409	3.2
105.04507	1.3
105.07011	10.2
106.04196	2.7
107.04935	6.7
107.08588	4.1
109.06491	1.0
109.10142	21.6
114.04634	1.3
115.05440	1.8
117.03347	1.4
119.04939	4.4
119.08558	2.2
121.06492	4.6
121.10121	24.9
121.54245	0.9
122.10451	1.0
123.04396	1.4
123.08080	1.3
123.11674	1.1
131.04904	34.1
132.02122	1.2
132.05693	34.4
133.02815	6.7
133.06514	5.6
133.10144	2.6
134.03610	1.0
135.04396	10.4
135.11673	2.3
137.05971	5.7
145.02834	1.8
145.06448	1.5
147.04372	6.0
148.05154	2.9
149.05934	9.5
150.06721	1.2
151.07483	2.0
159.04411	4.8
160.05180	17.5
161.02281	4.4
161.05957	7.1
163.03880	15.7
163.07516	3.3
165.05457	10.4
165.06807	1.7
167.07010	20.7
167.08446	1.5
173.06036	2.1
175.03897	4.1
176.04665	2.4
177.05432	23.3
177.06946	1.5
178.06230	5.3
179.07076	6.3
179.08499	1.6
180.07777	21.8
181.06355	1.6
181.08556	2.0
182.09410	3.4
187.03918	1.9
189.05457	6.1
190.06218	5.7
190.07689	0.9
191.03358	60.1
191.06985	26.7
191.08380	1.4
192.07774	100.0
193.04935	1.9
193.08459	5.7
194.07312	1.1
195.08055	2.2
199.03523	0.9
199.07535	1.0
203.03365	8.3
205.04924	9.8
209.06250	1.4
209.08037	6.9
210.08865	5.3
215.03354	8.1
217.04958	3.8
219.08095	1.5
221.05939	1.2
227.06976	0.9
229.04904	4.6
233.06212	1.0
235.07458	1.3
243.06519	3.6
247.07494	3.2
250.06291	1.8
255.06453	4.4
261.05371	4.2
263.06961	3.0
269.08026	10.6
275.06744	1.2
277.04953	1.3
278.05652	3.0
280.07010	1.1
289.04938	9.9
291.06448	2.6
293.08167	1.4
293.11578	1.7
303.06387	1.9
305.04523	2.1
306.05328	1.9
311.12729	37.0
311.16360	2.0
312.13159	2.6
317.04416	2.7
318.05023	1.6
319.06030	1.3
321.07495	3.9
334.04694	1.4
337.06747	1.4
337.13968	1.1
349.07010	11.5
351.08725	1.3
363.08594	1.8
369.09610	26.2
377.18637	1.0
381.09637	18.9
382.10052	1.2
383.11185	2.1
387.10623	2.4
399.10699	14.8
401.12277	1.0
413.12204	1.3
427.13672	1.5
491.20581	6.6
503.20258	1.5
503.29987	1.2
521.21509	7.0
521.29462	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.217
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	3.3
79.05476	2.3
81.07019	2.5
81.82075	1.2
83.01311	1.3
93.07016	2.4
93.23876	1.1
95.01369	1.2
95.04957	2.6
98.23423	2.9
103.05439	3.1
105.03371	4.6
105.07033	0.9
107.04943	3.6
107.08577	1.5
107.86495	0.9
109.10153	5.4
115.05440	1.4
119.04933	1.5
120.02081	1.2
121.10113	3.0
123.04417	2.3
123.11710	5.5
131.04916	2.6
133.02821	1.8
135.11674	1.8
137.05948	1.9
140.04616	1.6
147.04408	1.1
153.05545	1.2
155.06966	1.2
159.04385	4.2
161.05951	1.6
163.03949	2.0
165.06931	1.2
167.07027	29.3
178.07671	1.7
179.08560	3.0
181.04945	5.1
181.06364	1.4
187.03864	11.6
187.05377	1.3
191.06978	1.4
192.05682	1.1
193.06421	1.6
195.07976	1.4
197.05981	1.6
199.03844	1.7
205.04906	1.7
205.06586	1.8
206.07240	2.2
207.06303	1.9
207.08025	15.7
209.05992	5.4
210.06761	1.2
215.03329	12.0
219.08047	1.2
220.05212	2.4
221.05928	1.6
223.07617	1.1
225.05399	1.5
227.07025	1.9
234.06721	3.0
235.07547	14.4
237.05472	3.7
238.06161	2.0
241.08495	1.4
247.07457	1.7
248.04686	5.9
249.05257	1.4
252.07767	1.2
253.08466	2.4
257.08066	1.7
262.06250	2.9
263.06995	20.6
264.07730	1.4
265.05032	1.9
266.05746	3.1
267.06439	1.7
267.10141	2.4
269.08112	1.8
276.04221	2.4
277.04883	2.3
278.05481	1.8
280.07236	1.9
281.08096	4.8
287.57571	1.1
290.05661	3.4
291.06494	37.8
293.04492	2.2
294.05118	1.3
295.09714	2.6
297.07516	1.9
305.04340	3.0
308.06790	2.5
309.07584	5.6
310.08224	2.1
311.05460	1.3
315.08502	1.4
318.18198	1.3
319.05997	6.1
321.07083	1.3
323.09128	6.0
327.08572	2.9
336.06210	8.4
337.06961	9.0
338.07718	2.9
341.10211	3.5
349.07092	2.2
351.08585	30.0
363.08426	1.6
369.09644	100.0
370.09940	3.6
381.09875	2.4
383.11102	2.2
399.10699	35.4
413.12146	1.8
435.14383	1.8
441.15329	1.7
465.15402	1.2
521.21246	5.3
521.29565	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	521.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.0
60.08142	1.8
63.13401	0.5
63.43328	0.5
67.05482	0.9
68.99770	0.6
69.07063	1.1
70.92267	0.5
71.07355	0.9
79.05500	0.7
81.07037	1.6
83.01347	1.3
86.09703	5.3
91.05480	2.2
93.07044	3.0
95.04962	1.5
95.08609	1.3
103.05457	1.1
104.10088	0.9
104.10735	10.1
105.03403	1.1
107.01296	1.0
109.10146	1.4
115.05433	1.6
117.06965	0.8
118.22900	0.6
119.08580	0.8
121.06483	4.3
123.08057	2.3
123.11718	1.3
124.99972	3.1
131.04909	3.9
131.08490	0.8
133.02835	10.6
133.06464	1.4
134.03601	1.0
135.04408	0.8
135.08032	1.1
137.05949	2.2
143.04950	6.0
143.05966	0.9
145.06424	0.9
147.04413	0.8
147.08011	0.9
149.05981	3.7
153.05466	6.0
159.04439	1.9
160.05261	0.9
161.05972	2.0
161.59779	0.6
162.03116	8.7
163.07602	1.0
165.05495	1.7
167.07008	1.6
171.04417	8.4
173.05939	0.9
175.07529	2.5
177.05463	4.1
178.02596	4.1
184.07332	11.5
185.02278	0.7
185.05943	0.5
188.04622	2.7
189.05458	1.1
190.02588	17.4
191.07031	1.6
193.04953	43.8
194.05542	0.6
199.03877	24.3
200.04407	0.9
203.07039	2.7
205.04945	100.0
206.05255	1.7
207.06427	1.0
216.04086	3.6
217.05017	0.6
219.06490	13.2
219.09892	0.8
231.06520	13.6
233.08035	2.7
243.06523	0.9
245.08133	4.5
247.09633	2.9
259.06000	15.3
259.09659	1.2
261.11185	2.5
273.11188	2.8
277.07007	9.8
283.09601	1.3
285.11288	1.3
299.12714	2.4
309.11221	1.4
327.12244	11.6
327.16058	0.8
329.17404	4.8
339.15851	0.9
341.21179	0.6
353.17239	0.9
357.14191	0.6
360.35663	0.6
380.25970	0.6
397.09143	1.2
470.39667	0.7
477.19043	0.7
503.20789	2.9
521.21747	12.4
522.35095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2167
Annotation	Benzoylgomisin O
Peak:m/z	Relative Intensity
55.01856	4.7
60.55239	2.0
67.05479	2.9
68.99780	27.0
69.07056	11.9
70.03314	5.1
74.04424	1.9
79.05493	5.1
81.07057	3.2
83.01338	2.3
83.04957	2.7
86.09692	4.7
87.10046	2.3
91.05453	6.1
93.07014	6.3
95.04977	2.9
103.05444	4.7
103.66709	2.0
104.10718	8.6
105.03379	6.8
105.07014	6.8
107.04936	7.2
109.06516	13.9
110.16301	2.8
115.05457	24.3
117.07065	2.1
119.08556	3.0
121.06462	10.9
121.98093	2.1
124.99968	2.7
128.06212	2.9
129.06982	3.8
131.04942	10.5
133.02873	2.7
133.06471	9.0
135.04419	2.8
137.05977	2.5
143.04909	18.9
145.06525	2.5
147.04401	5.1
147.08032	3.4
149.05956	7.6
151.58632	2.3
157.06577	2.0
159.04440	5.2
159.08023	5.9
161.05981	7.9
162.03168	5.7
163.03880	8.4
163.07552	2.7
164.04671	2.2
167.06949	2.5
171.04396	85.7
171.07924	2.5
172.04843	2.6
175.03903	9.9
175.07600	4.4
176.04648	3.6
177.05444	60.9
178.02589	4.0
178.06259	3.2
179.07115	2.5
183.08101	3.2
184.07304	9.8
185.05978	6.2
185.07724	2.6
185.09518	3.4
187.03766	2.5
187.07602	2.8
188.04672	4.8
189.05444	3.7
190.06348	2.9
191.03372	14.8
191.07022	3.8
193.04951	17.8
199.03877	88.0
199.07561	4.2
201.09012	2.8
203.03349	36.9
203.06969	3.4
204.04083	5.8
205.03035	4.3
205.04948	84.0
205.08414	5.7
206.05568	4.9
207.06467	7.3
207.10153	7.9
213.05479	6.6
213.09068	5.0
213.77951	2.3
215.07106	2.5
216.04294	4.4
217.04929	7.5
218.05707	8.6
219.06468	6.2
219.10141	2.9
221.11708	3.3
227.03311	2.5
227.07005	6.8
229.08499	4.0
231.06511	46.5
231.09969	3.5
233.08073	3.3
241.08470	3.1
245.08026	6.0
245.11734	6.1
246.08904	10.4
257.04459	8.2
258.08777	3.3
259.06049	14.2
259.09641	7.0
261.11200	77.4
273.11118	17.3
277.07034	2.8
287.12878	2.3
288.17264	3.8
325.07013	3.3
331.05746	2.1
357.16998	4.6
409.09225	2.3
431.20694	2.3
453.15561	12.9
460.19757	2.7
465.15363	17.7
503.19421	6.0
521.21570	100.0
522.21472	3.2
523.85919	2.3
539.52985	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
55.05497	4.2
57.03423	3.8
59.88920	2.1
61.02908	2.0
65.03934	1.6
67.05501	2.5
69.03420	16.2
69.07054	3.0
69.31001	9.5
73.02906	9.7
79.05479	4.2
79.68523	1.5
81.03414	2.0
81.07062	3.6
82.80090	1.7
83.04965	8.0
85.02892	11.9
91.05468	6.4
93.07033	5.8
95.04954	3.5
95.08591	6.9
97.02879	9.8
97.06497	2.0
99.04417	1.8
105.07020	4.3
107.08588	47.7
109.06514	3.8
109.10143	5.4
111.08122	2.1
115.03909	6.2
119.08566	5.7
121.06490	2.8
121.10125	11.5
123.08016	2.6
125.09605	3.6
127.03909	3.0
131.08534	4.2
133.04942	7.0
133.10136	22.4
135.08035	7.0
135.11685	3.4
137.05951	6.2
137.09615	8.6
145.04922	3.9
145.10117	3.3
146.83656	1.9
147.11635	4.9
149.09573	3.8
149.13248	7.2
151.07457	2.5
151.11218	8.5
153.09131	3.5
158.10835	3.0
161.05946	2.5
163.14796	3.9
173.13222	9.5
191.14282	100.0
192.14626	3.9
209.15323	18.8
219.13289	2.1
227.16444	4.0
259.07666	2.2
294.39227	1.8
521.20532	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	521.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	3.9
65.47495	3.7
68.81572	3.4
69.03438	21.6
69.07052	5.1
70.06596	5.6
70.71564	5.8
73.21149	3.2
81.03410	3.8
81.07047	5.1
83.05019	6.1
83.08627	5.7
84.04494	3.7
85.02915	12.9
93.07034	10.0
95.04978	6.5
95.08624	9.9
97.02892	6.6
97.10143	7.3
99.08104	6.1
100.29912	3.4
103.05457	54.6
105.07004	8.8
107.08603	14.8
108.13158	3.7
109.02863	4.2
109.06509	6.1
109.10146	5.4
110.88769	3.6
111.08115	4.2
120.08140	3.4
121.10159	8.4
123.04420	7.6
125.09618	52.5
127.03905	6.0
129.16252	3.8
131.04916	95.1
133.02847	4.4
133.10124	4.0
135.08076	5.6
137.05968	15.0
145.04951	4.0
147.04381	4.6
147.11630	4.8
149.02356	7.6
149.09599	48.5
151.03917	5.1
151.11182	14.0
153.09116	16.1
161.05994	15.9
163.03873	49.8
163.07518	24.4
163.14795	5.2
167.04628	4.5
173.13231	6.0
177.05486	6.7
179.03384	5.9
181.04939	29.4
191.14247	25.3
209.15341	100.0
227.16429	13.3
327.08731	5.1
337.32770	3.5
521.20062	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2592
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01875	2.3
55.05497	4.2
57.03423	3.8
59.88920	2.1
61.02908	2.0
65.03934	1.6
67.05501	2.5
69.03420	16.2
69.07054	3.0
69.31001	9.5
73.02906	9.7
79.05479	4.2
79.68523	1.5
81.03414	2.0
81.07062	3.6
82.80090	1.7
83.04965	8.0
85.02892	11.9
91.05468	6.4
93.07033	5.8
95.04954	3.5
95.08591	6.9
97.02879	9.8
97.06497	2.0
99.04417	1.8
105.07020	4.3
107.08588	47.7
109.06514	3.8
109.10143	5.4
111.08122	2.1
115.03909	6.2
119.08566	5.7
121.06490	2.8
121.10125	11.5
123.08016	2.6
125.09605	3.6
127.03909	3.0
131.08534	4.2
133.04942	7.0
133.10136	22.4
135.08035	7.0
135.11685	3.4
137.05951	6.2
137.09615	8.6
145.04922	3.9
145.10117	3.3
146.83656	1.9
147.11635	4.9
149.09573	3.8
149.13248	7.2
151.07457	2.5
151.11218	8.5
153.09131	3.5
158.10835	3.0
161.05946	2.5
163.14796	3.9
173.13222	9.5
191.14282	100.0
192.14626	3.9
209.15323	18.8
219.13289	2.1
227.16444	4.0
259.07666	2.2
294.39227	1.8
521.20532	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	522.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
57.03410	0.8
61.02903	0.7
69.03409	1.7
69.55747	1.5
70.06577	0.7
79.05473	0.8
81.03408	0.7
85.02887	7.2
89.03889	3.4
93.15426	0.5
97.02858	2.4
98.22814	0.7
101.67142	0.4
103.05501	0.7
107.04961	1.2
108.56538	0.4
109.02811	0.6
117.03356	4.9
122.47789	0.5
127.03906	2.3
128.11345	0.4
131.04904	1.9
135.04396	12.9
139.03854	0.9
145.02818	10.2
145.04863	2.3
163.03870	100.0
164.04233	1.7
172.55507	0.5
181.04919	45.0
182.05283	0.5
182.83792	0.4
191.07175	0.5
201.10355	0.4
203.06914	0.7
208.09654	0.7
309.43826	0.5
335.09308	0.6
336.09781	0.8
426.20874	0.5
521.21771	0.8
522.22321	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	522.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13266	0.4
55.89200	0.4
57.03425	0.8
61.02898	0.9
69.03424	2.2
71.42805	0.6
73.02908	0.7
79.05482	0.7
81.03425	1.0
85.02895	9.2
89.03893	4.9
95.04976	0.7
97.02872	2.1
99.04447	0.6
103.05463	2.6
107.04932	1.6
109.02859	0.6
117.03364	5.6
127.03884	2.0
129.75987	0.4
130.89857	0.4
131.04909	7.4
132.05260	0.7
133.77261	0.5
135.04398	15.8
137.85910	0.5
139.03885	1.3
145.02835	12.0
145.04881	2.9
163.03880	100.0
163.07452	2.5
164.04245	2.2
173.05940	0.5
180.08633	1.4
181.04930	43.2
182.05301	1.1
193.81880	0.5
220.65521	0.5
282.29407	0.5
325.09189	0.6
360.12674	0.8
522.22656	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	522.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
56.05009	0.4
57.03425	1.3
61.02903	1.0
64.14832	0.3
65.93121	0.3
67.83356	0.4
69.03418	5.7
72.08138	1.2
72.08536	0.4
73.02908	0.6
79.05505	0.9
79.06839	0.4
81.03406	1.2
84.04496	0.5
84.08139	0.5
84.86797	0.4
85.02893	7.7
86.09686	1.7
93.07010	0.5
95.04937	1.1
97.02882	2.4
99.04482	0.5
103.05448	3.8
104.05758	2.0
109.02888	0.5
115.03917	0.4
119.04909	0.5
119.08552	0.4
120.08075	0.8
127.03900	4.8
129.10236	0.4
131.04904	5.6
132.05222	3.4
133.02838	2.8
135.04379	2.8
136.07570	0.7
137.05951	1.4
145.04935	2.3
146.06006	0.9
147.04329	0.6
148.03917	0.7
149.02315	19.2
150.63948	0.4
151.03818	0.4
161.05922	0.8
163.03876	100.0
163.07440	1.8
164.04163	1.8
166.08591	1.3
179.07039	0.5
181.03453	0.8
181.04939	9.1
190.05026	0.5
197.11685	0.9
213.07396	0.5
215.03380	0.6
313.06918	0.5
323.38104	0.4
325.09109	8.0
360.14401	1.0
391.19135	0.6
522.19257	0.7
523.14191	1.9
523.23157	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	522.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.19503	0.4
55.01887	0.5
61.02925	0.5
68.13438	0.4
68.47319	0.3
69.03424	1.2
69.52360	1.6
77.03925	0.6
81.03413	0.9
84.36665	0.4
85.02890	4.4
89.03912	1.1
91.03902	0.4
95.04966	0.9
97.02872	1.5
98.22754	0.8
103.05453	36.1
104.05766	1.0
117.03329	0.7
118.88125	0.4
127.03898	1.2
131.04909	100.0
132.05196	1.7
133.06456	0.5
133.15686	0.3
135.04362	2.2
137.05992	0.4
138.72449	0.4
145.02846	1.9
145.04922	1.2
163.03883	15.7
163.07516	49.1
164.07875	1.1
180.08693	0.6
181.04933	6.4
212.67581	0.4
396.99646	0.4
522.22614	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	522.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02837	0.9
55.01850	1.1
59.25714	1.1
62.07610	0.9
79.05501	3.0
79.42779	1.0
94.39098	0.9
95.04934	1.0
103.05453	3.1
105.07021	35.1
106.07316	1.1
115.05438	6.8
118.04121	1.8
131.04929	1.6
132.05698	1.8
133.06482	33.0
138.36998	0.9
143.06038	2.7
161.05960	37.4
178.06264	2.1
193.08578	100.0
194.08887	2.4
201.97081	1.0
224.28848	1.2
237.28557	1.2
253.10747	18.4
462.17712	1.1
465.98682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.2
55.05508	3.5
67.05487	10.2
69.03417	16.0
69.07059	5.9
79.05473	5.6
81.07051	20.0
83.05000	3.0
85.02893	4.9
85.36900	3.0
87.86932	2.3
91.05486	10.1
93.07063	4.1
93.74999	2.8
95.08611	4.1
97.02884	46.9
97.06540	6.2
100.11253	6.1
105.07015	8.7
106.79557	3.0
107.08591	5.1
109.06455	2.9
115.03871	14.9
119.08569	12.6
121.10070	3.3
123.11650	6.9
127.30670	3.2
147.11652	24.3
148.07541	3.8
157.10173	3.0
165.12729	17.4
193.12204	6.6
229.14290	6.0
305.37479	2.9
310.03201	3.5
313.56848	2.9
325.16400	100.0
326.16891	3.8
390.38644	3.3
456.16855	2.9
505.50760	3.2
522.27368	8.0
522.41028	9.8
536.29761	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	522.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04004	0.8
55.05500	3.1
57.03431	1.6
62.98245	1.3
67.05494	5.3
69.07056	3.3
70.21321	0.6
71.42891	0.7
78.01762	0.6
79.05470	1.0
81.07049	5.2
83.08611	1.6
84.08161	0.7
86.09693	2.8
88.03972	1.1
91.05458	1.3
93.07051	1.2
95.08575	3.9
98.98463	1.1
105.07033	0.9
109.10133	1.5
119.08614	0.7
121.10058	0.8
123.11721	0.8
124.93754	65.1
125.00008	1.9
135.11671	0.8
142.94801	13.6
142.95842	1.1
149.82616	0.7
162.16264	0.7
167.97957	38.7
175.27621	0.6
176.99229	1.7
184.07358	6.6
185.07680	2.6
185.99017	14.4
186.07846	1.4
198.97470	2.5
215.85826	0.7
245.14264	0.7
294.18582	0.6
307.60895	0.6
337.27380	18.8
338.27591	1.3
391.44992	0.6
448.20801	0.7
461.20340	11.4
466.21631	1.1
479.21262	4.8
522.25604	100.0
523.19299	0.7
523.25793	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	522.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67658	2.3
70.15089	5.5
70.15447	3.1
75.82083	2.7
87.82871	2.3
88.54880	2.4
91.05441	2.8
107.04967	6.2
108.05779	3.7
136.05191	10.0
147.65164	2.5
148.05164	6.6
151.07524	100.0
163.07605	3.0
165.09126	8.2
166.06250	11.7
174.06769	2.7
177.09109	8.7
181.08583	73.0
184.63054	3.1
188.08289	5.8
189.09120	4.7
191.10654	2.8
193.08655	2.8
195.10164	3.0
201.09052	5.9
202.09917	3.1
203.10677	9.0
207.10271	4.0
216.11307	3.0
217.12230	7.3
233.11714	6.1
247.13297	9.9
354.18314	3.7
370.17673	15.3
385.20074	48.3
389.15787	2.7
403.21158	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	522.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.3
57.03432	6.7
57.07059	2.4
60.04496	0.7
60.08155	5.8
63.27580	0.6
65.94801	0.6
67.05492	25.5
69.06705	1.0
69.07058	16.1
69.70364	0.8
70.83060	1.0
71.07355	2.1
76.42345	0.7
77.94619	0.7
79.05025	1.0
79.05475	9.3
81.07041	26.7
83.04988	0.9
83.08591	9.5
85.06520	1.3
86.09688	17.7
87.09536	0.8
87.10012	5.0
88.03969	8.6
91.05472	4.9
93.07023	8.2
95.04928	1.0
95.08589	21.9
97.06525	1.4
97.10131	3.6
98.98453	6.6
99.06310	0.7
100.98878	0.7
104.10724	32.4
105.07003	2.7
105.10413	1.2
105.11052	9.1
106.04981	1.7
106.11166	1.5
107.08578	3.5
109.10130	6.0
109.54078	0.7
111.11658	1.2
114.06585	0.7
114.35298	0.7
119.08558	3.1
120.36716	0.8
121.10120	3.1
123.11685	2.5
124.99983	11.8
126.00286	1.4
127.00409	1.8
131.08583	0.7
133.10120	3.3
133.44461	0.7
135.11679	1.8
137.13234	0.7
147.11644	2.2
149.02298	2.2
149.13124	0.7
161.13228	0.8
163.14600	0.8
173.02078	1.7
184.07306	26.9
185.07668	10.1
186.07741	7.1
193.04961	2.8
233.15263	0.9
258.10516	0.9
263.23724	1.7
337.27298	100.0
338.27805	3.6
350.26868	2.5
360.28027	1.4
464.21484	0.8
504.33340	3.2
521.33765	0.9
522.33411	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	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	5.0
57.03419	4.7
59.25315	4.2
69.03413	12.1
69.07063	9.8
71.04947	5.2
73.02911	19.2
79.05457	7.0
81.07041	11.1
83.08591	7.0
85.02897	33.2
93.07027	10.7
94.04189	6.4
95.08593	11.9
97.02880	24.0
97.06506	11.3
105.07023	10.8
107.08589	12.9
109.06480	10.9
109.10139	6.6
113.03765	4.8
115.03903	6.2
115.18961	4.8
119.08556	19.7
119.91285	5.1
121.10104	5.7
123.08043	8.8
123.11739	10.2
133.04956	9.5
133.10117	24.3
135.11665	17.7
137.05949	72.7
137.09656	5.7
138.06326	26.7
145.04897	7.4
147.11740	6.9
149.13231	12.6
151.03883	52.2
151.04962	7.8
151.07474	8.0
152.04208	14.9
175.07535	9.4
175.14795	42.9
179.07185	8.3
193.15865	65.6
211.16891	100.0
280.28183	5.6
284.71790	4.4
289.05380	6.1
352.12714	5.6
450.33295	5.7
479.33459	4.9
504.21149	9.4
516.65845	5.7
522.21313	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	522.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
55.05492	1.9
57.03424	2.7
61.02908	1.3
67.05483	1.6
68.11450	0.6
69.03410	7.6
69.07051	7.0
69.79587	1.2
69.79948	1.4
71.01331	0.6
73.02905	5.7
81.03345	0.7
81.07030	1.9
83.08590	1.5
85.02888	10.1
87.04458	4.0
91.05434	3.0
92.38794	0.7
93.07037	1.6
93.78503	0.6
94.08530	0.7
95.08577	4.8
97.02876	9.7
98.77835	0.6
99.81802	0.6
105.07012	8.8
107.08571	2.4
109.10133	3.5
115.03905	8.4
117.07016	0.8
119.08558	31.2
121.10126	2.3
127.03893	2.1
131.08528	0.9
133.04932	7.0
133.10106	30.4
135.11662	1.6
137.09555	1.3
145.04922	2.9
145.10068	1.6
147.11693	3.5
160.12260	0.6
163.06003	0.9
173.13251	1.2
175.14789	100.0
176.13699	0.6
176.15047	2.8
188.73946	0.7
193.15851	6.5
241.06992	0.9
259.07993	1.1
305.84262	0.6
379.89999	0.7
409.45255	0.6
455.77209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05127	0.9
50.38224	0.8
54.38774	0.9
55.01850	3.1
55.05496	1.3
57.03426	4.8
57.74236	0.9
58.37717	0.8
59.04976	1.7
61.02914	1.7
67.05485	2.6
68.16972	1.0
69.03423	11.6
69.07054	4.4
71.04975	5.0
73.02910	15.2
79.05503	1.5
81.03407	1.9
81.07046	6.0
83.04948	1.0
83.08615	2.0
85.02896	25.4
86.09698	1.1
87.04478	1.8
91.05458	1.4
93.07033	5.7
95.08593	5.7
97.02879	16.1
97.06538	4.8
98.03305	1.0
98.22706	1.9
99.04417	1.5
101.02307	0.9
105.07015	3.7
107.08579	5.4
109.02859	2.0
109.06500	4.0
109.10128	4.0
115.03923	6.7
115.07541	1.7
119.08524	5.4
121.10115	4.3
123.08050	4.5
123.11674	12.0
125.09559	1.5
127.03896	7.2
133.04961	8.2
133.10118	13.5
135.11673	12.1
137.09572	2.4
137.13254	1.3
145.04945	10.0
147.11630	1.3
149.13249	9.4
153.12723	1.8
155.10678	1.6
163.05959	2.9
175.14798	16.9
193.15848	19.1
193.17523	1.4
211.16901	100.0
212.17242	3.2
223.05936	1.8
241.06995	3.0
259.08130	2.9
277.09088	1.3
316.46838	1.0
373.21875	1.2
433.66977	1.1
438.05515	1.2
464.89154	0.9
522.19244	1.9
522.27887	2.8
523.28674	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	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
57.03424	6.8
59.04996	1.8
61.52647	1.2
61.68786	1.1
64.37349	1.1
69.03420	26.6
69.07059	1.3
70.55705	2.2
71.04984	2.3
73.02895	2.3
79.05489	1.1
81.07033	6.3
82.51385	1.2
85.02885	20.0
87.04454	17.8
91.05466	3.3
93.07035	5.7
95.08588	10.8
97.02882	20.7
99.04427	1.3
99.08084	5.4
105.07010	8.2
107.08599	8.8
109.10162	1.8
113.09644	3.1
115.03919	27.9
119.08565	46.7
123.11652	2.2
127.03869	2.5
133.04961	28.0
133.10106	84.7
135.11653	20.9
137.05997	3.2
145.04958	4.3
147.11713	2.9
150.07556	6.2
169.02968	1.1
175.14801	100.0
176.15160	2.4
193.15849	22.0
206.39735	1.2
211.16908	60.6
212.17152	1.5
219.06596	1.4
259.08026	2.0
277.09058	2.6
295.10226	2.4
381.39520	1.4
523.14240	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	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67440	0.3
52.77792	0.3
55.05499	1.9
56.05031	1.6
57.03423	0.7
57.07064	0.6
58.06570	1.6
60.08154	18.9
67.05487	1.2
69.07053	2.3
69.35486	1.5
70.06558	0.3
70.17590	0.3
71.07363	7.0
79.05502	0.5
81.07035	1.5
83.08607	1.4
86.09691	51.9
87.10024	0.4
93.07011	0.5
95.08591	1.6
97.10162	0.8
98.98456	4.8
100.00195	0.3
104.10725	93.9
105.11067	0.5
107.08610	0.4
121.10162	0.3
124.99983	28.8
135.11624	0.5
143.01044	0.4
163.01518	0.6
184.07310	100.0
185.07655	1.0
258.11014	1.1
306.09048	0.3
339.29001	0.9
445.26926	0.3
504.34302	7.7
522.35437	25.0
523.35779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33402	0.2
51.99839	0.2
54.27678	0.2
55.05496	0.5
56.05029	0.5
57.03410	0.2
58.06599	0.3
60.08153	6.7
60.08463	0.3
63.86806	0.2
69.07057	0.4
69.72568	0.3
69.72936	0.3
71.07364	3.3
73.31427	0.2
75.29424	0.2
81.07045	0.3
83.08595	0.3
86.09694	29.7
93.07030	0.2
95.08572	0.2
97.10217	0.2
98.98447	3.6
99.08060	0.2
104.10724	2.9
124.99985	21.8
125.12936	0.2
182.91689	0.2
184.07314	100.0
185.07622	0.7
249.10657	0.2
258.10962	0.2
271.62378	0.2
284.08929	0.2
395.13449	0.2
504.34515	0.9
522.35461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
56.05014	1.2
57.03410	0.5
57.07072	0.6
58.06599	1.4
59.07384	0.5
60.08155	18.4
67.05483	1.2
69.07053	2.2
71.07362	7.5
77.41334	0.4
79.05481	0.7
80.66836	0.4
81.07034	1.7
83.08616	1.5
83.15006	0.4
86.09692	53.6
87.10049	0.8
93.07032	1.2
95.08598	1.5
97.10145	1.0
98.22592	0.9
98.98464	5.1
104.10727	100.0
105.11016	0.9
107.08559	0.6
109.79745	0.4
121.10122	0.6
124.99987	31.4
145.46635	0.4
184.07314	98.0
185.07660	0.7
216.55490	0.4
258.10910	1.0
266.62570	0.5
339.28928	1.2
504.34415	7.6
522.35529	22.3
523.36145	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.4
58.72626	0.3
71.43632	0.5
82.77024	0.3
85.02889	0.3
91.87276	0.3
98.97546	0.6
99.04430	0.4
101.00869	0.5
103.02444	0.5
110.97569	0.5
113.00912	0.4
117.80602	0.3
119.01905	0.8
121.03451	0.4
131.01912	1.0
133.03436	0.6
135.04236	0.4
143.01904	0.9
145.03430	2.2
147.01321	0.4
149.02954	0.5
155.01952	1.8
157.03450	3.1
159.05045	1.0
161.02986	0.9
163.04465	0.6
173.03003	1.2
175.04538	1.4
187.04541	1.2
198.97742	0.4
199.04462	0.7
203.03999	0.8
205.05591	0.4
216.98666	1.8
219.01772	0.4
221.04976	2.2
232.96304	0.3
234.99815	0.4
247.06618	4.5
248.06868	0.3
255.16029	0.3
258.99765	0.8
265.07657	7.2
266.08005	0.7
270.99783	1.1
271.07916	0.4
273.06445	0.3
282.99860	0.5
301.00909	0.7
307.08679	4.5
317.08420	2.0
319.02173	0.4
327.00531	0.4
343.01917	0.5
359.08484	0.7
361.03015	0.6
361.10977	6.8
363.11340	0.8
433.11786	3.4
523.16278	100.0
524.16754	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	523.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	0.5
69.03417	0.3
69.07058	0.5
69.22883	0.6
69.23287	1.0
81.07026	0.5
85.02902	0.4
85.06508	0.5
91.05475	0.5
92.51350	0.4
93.07021	0.4
95.04948	0.4
95.08611	0.9
98.22762	0.6
100.68804	0.3
102.99564	0.3
105.07008	0.3
107.08614	0.7
109.10182	0.4
119.08558	0.5
121.10090	0.4
123.80482	0.3
125.02090	0.4
131.08559	0.4
137.05936	0.4
141.05186	0.4
161.13242	0.3
167.03111	0.5
169.04712	1.4
175.14836	0.6
176.04419	0.4
176.15158	0.4
178.16803	0.3
185.04210	2.2
199.71918	0.4
201.05249	1.2
216.07541	8.5
216.09499	0.5
217.08316	2.5
218.02957	0.4
227.05327	0.7
259.66797	0.3
262.28561	0.3
267.08365	0.9
269.06207	0.7
299.07205	0.4
311.07312	0.4
329.08398	5.6
376.24557	1.8
377.22989	1.4
379.13428	2.0
395.23788	1.7
421.14731	0.6
445.23108	0.3
461.17722	5.5
463.15656	2.7
505.16568	0.4
523.17792	100.0
523.29236	13.1
524.18201	5.1
524.29901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
55.05499	2.9
56.41191	2.5
57.03413	4.4
57.17280	2.2
65.31875	2.3
69.03419	17.7
69.30345	13.2
70.06564	2.3
79.05498	6.3
81.03416	15.9
85.02892	20.6
86.09690	6.1
86.39704	2.4
91.05460	10.1
93.07053	3.9
95.04969	7.0
95.69939	2.2
97.02866	5.4
99.04450	3.7
103.03870	3.9
103.05439	9.7
105.07030	5.3
107.04939	7.2
109.02882	4.0
109.06451	2.5
115.03909	2.6
115.05435	6.0
117.06992	3.0
119.04922	13.3
120.08013	2.7
121.06484	5.5
122.03622	6.9
127.03886	9.4
128.06242	2.5
129.06987	5.5
131.04929	15.9
131.08578	2.8
133.06491	7.2
135.04364	2.6
137.05963	100.0
141.06915	3.7
141.71526	2.5
145.06465	7.9
147.04387	24.8
147.08043	5.5
149.05969	9.1
151.07523	49.7
157.06450	8.0
161.05920	11.3
161.09589	2.9
163.03824	3.3
163.07489	23.4
165.09044	4.6
166.80324	2.4
167.07085	3.8
167.08545	2.8
169.06436	3.7
169.75330	2.4
171.08038	3.0
174.06715	4.4
175.07463	17.6
177.05453	10.8
177.09012	11.8
179.07011	25.7
187.07578	5.7
189.09013	16.9
191.06998	8.9
195.08067	3.6
195.09947	5.3
199.07474	3.5
201.09076	5.2
203.07010	5.9
203.10641	4.6
205.08556	2.4
207.10112	13.5
213.09067	3.7
215.07042	3.6
217.08546	4.7
225.11172	4.0
229.08566	6.8
231.10056	3.9
235.09650	2.5
245.08144	4.8
247.09630	3.6
249.11198	5.2
255.10117	3.0
262.09473	2.5
273.11172	8.7
275.12711	4.1
287.12726	2.8
291.12134	12.8
297.11191	2.8
343.15549	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	523.2326
Annotation	Euchretin M
Peak:m/z	Relative Intensity
58.07298	1.2
69.47104	5.3
77.67736	1.2
81.07055	1.5
83.01332	2.0
97.69850	1.1
103.05467	1.6
105.02722	1.0
105.03340	6.6
107.04935	2.2
109.26084	1.1
115.05475	1.7
119.04907	1.9
123.04414	2.0
123.11727	1.5
131.04909	3.6
153.06918	1.5
159.04366	3.5
163.03902	1.4
165.06924	1.6
167.07014	22.0
177.06941	1.5
178.07687	2.4
179.08536	3.9
180.07790	1.3
181.04947	2.2
181.06512	1.3
187.03922	10.7
189.07011	1.7
191.07040	1.9
207.06381	1.9
207.08063	12.3
209.05940	5.6
215.03397	9.7
217.04851	2.5
220.05194	2.6
221.06030	1.5
227.07011	1.5
233.06020	1.5
235.07512	12.2
237.05478	2.9
238.06276	2.0
248.04700	4.9
249.05479	1.5
251.07024	1.4
253.08527	1.7
257.07941	1.9
262.06219	3.2
263.07004	18.8
265.05020	2.8
265.08481	1.1
266.05594	1.9
267.06287	1.4
267.10187	3.3
269.07776	1.4
276.04184	1.8
277.04898	3.4
280.07169	1.9
281.07977	3.7
290.05640	2.7
291.06467	29.9
293.04544	1.8
294.05008	2.4
295.06213	1.4
295.09668	3.4
297.07410	2.3
305.04501	2.9
308.06616	1.4
309.07578	3.6
319.06042	7.3
323.05621	1.7
323.09192	5.5
326.07587	1.4
336.06219	7.6
337.07034	8.9
338.07523	2.6
341.10107	2.9
349.07095	1.9
351.08578	26.0
351.12619	1.2
369.09641	100.0
370.09903	4.0
381.09506	2.2
399.10654	29.2
427.13730	1.6
441.15311	1.6
523.22931	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	523.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82451	2.0
55.01886	1.9
60.90969	1.8
65.03953	2.4
79.05478	4.2
81.07043	5.7
83.01327	4.6
91.05456	6.0
95.04945	4.4
95.08572	3.8
98.04176	1.9
103.05444	7.5
104.06280	2.3
105.03381	5.6
105.07030	5.0
106.04210	2.7
107.04941	9.3
109.10191	3.1
115.05441	2.1
119.04929	3.5
121.06475	4.8
123.04428	4.2
123.11680	9.8
131.04906	20.0
132.05708	12.1
133.06470	3.2
135.04384	4.5
140.04709	2.0
147.04407	7.6
149.05959	8.0
153.05478	2.4
154.06288	2.0
159.04425	5.9
160.05202	6.5
161.02411	2.5
161.05977	8.0
163.03984	9.8
163.05174	1.9
163.07515	3.4
165.05469	8.0
167.07031	31.5
175.03900	3.8
177.05455	14.7
178.06192	2.1
179.07117	2.2
179.08641	1.9
180.07780	10.5
181.04984	3.8
187.03926	8.0
189.05399	13.4
189.06889	2.0
190.06245	3.4
191.03365	11.1
191.07018	16.6
192.07765	41.3
193.08591	6.1
195.06419	3.2
199.03859	3.8
203.03349	5.8
205.04982	6.0
207.06371	3.4
207.08101	5.1
209.08031	5.6
210.08887	3.9
215.03351	28.7
217.04892	3.9
219.08170	4.3
235.07524	6.3
239.06731	2.2
241.08498	2.6
247.07649	2.5
248.04591	2.5
262.06171	2.9
263.06949	8.5
267.06497	2.1
275.07013	3.1
279.06564	2.6
281.07959	2.4
289.05023	6.0
291.06445	20.0
293.08124	3.6
294.05048	2.8
297.07486	2.5
303.06433	2.6
306.05502	2.0
313.14334	9.0
319.05966	5.6
320.06650	3.2
321.07529	6.3
323.09171	2.6
331.06046	3.0
336.06216	3.5
337.07062	5.7
339.15860	3.3
349.07040	13.4
351.08603	7.3
353.10123	3.9
363.08707	3.6
369.09689	46.2
370.10165	2.8
381.09668	27.9
399.10693	60.2
400.11111	2.6
411.27750	2.8
413.12134	3.7
417.22400	2.4
427.13672	4.3
468.62820	2.5
523.23145	100.0
524.23590	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	523.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55916	14.6
67.05497	15.7
70.57722	15.0
73.87845	14.1
81.07057	18.7
86.09688	34.7
86.93716	13.9
104.10707	16.6
124.53369	19.6
124.99968	16.7
150.24503	17.2
184.07320	84.9
185.07645	19.5
191.25749	14.7
231.29434	15.0
301.20160	23.0
523.26440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87988	0.6
51.47704	0.6
54.35650	0.6
55.05495	1.0
67.05479	1.2
69.03423	2.1
69.07054	0.9
79.05460	0.7
81.03372	0.6
81.07033	2.3
83.04965	0.7
85.02877	1.1
85.06529	0.7
91.05478	1.1
93.07011	2.1
95.08588	2.0
97.02851	1.1
99.08078	1.8
102.70303	0.6
103.05480	0.7
105.07011	1.2
107.08594	1.2
109.10140	1.1
116.52439	0.7
119.08535	1.2
127.03828	0.6
131.08543	0.8
135.11746	0.6
137.05971	1.6
161.05939	1.5
165.09189	0.8
189.05409	0.9
193.15921	2.1
194.16219	2.2
211.16919	0.7
229.17914	0.7
235.13422	0.6
343.22491	0.8
345.24033	1.3
353.15750	0.8
361.23529	0.7
369.15302	0.7
456.05429	0.7
523.28735	100.0
524.29053	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	523.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80289	0.3
59.56001	0.4
62.49448	0.3
67.05443	0.4
70.57167	0.7
96.41290	0.4
128.61948	0.3
139.55513	0.3
153.41811	0.3
159.44414	0.3
185.04303	0.5
203.05247	0.8
259.07974	0.5
265.27646	0.4
271.11493	0.4
282.17413	0.4
523.28705	100.0
524.28943	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	523.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45009	0.4
80.52638	0.4
82.95081	0.4
93.76951	0.4
97.42052	0.4
99.11920	0.4
125.60823	0.4
144.51923	0.4
148.31355	0.4
184.04915	0.4
273.91913	0.4
523.28693	100.0
524.29016	4.9
526.51031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01873	7.5
56.96559	0.9
57.03418	2.2
69.03420	12.5
73.02907	5.5
81.03414	8.4
81.36729	0.7
83.01331	0.8
85.02896	19.2
87.04467	1.4
91.05487	1.4
93.06970	0.9
97.02892	7.1
98.97580	1.7
99.04463	2.8
100.22046	0.7
101.02349	4.4
103.05453	2.0
108.04482	2.0
109.02869	7.0
115.05457	0.9
117.07005	0.9
119.04952	1.2
121.06445	1.1
123.00759	1.4
123.04465	1.3
125.02386	1.1
127.03896	7.5
128.04950	2.3
128.06244	1.5
128.98598	0.8
129.06145	0.8
129.06996	4.4
132.04453	0.9
134.06024	3.5
135.04353	1.3
136.06143	0.8
141.07030	2.1
145.05026	0.8
145.06467	2.8
146.05983	25.5
147.04410	4.5
149.05962	0.9
151.03903	2.8
152.06174	1.5
153.06975	4.4
155.04919	1.4
155.06023	1.4
155.08566	2.7
157.06476	5.1
159.04379	2.0
162.05473	0.9
163.99098	0.8
165.06909	4.5
167.08562	2.3
167.19637	0.8
169.06487	1.1
171.08060	2.6
172.07559	1.4
173.05923	3.9
178.07860	1.7
179.03386	3.3
179.08513	6.0
181.06447	16.5
181.10069	1.6
182.05931	1.4
183.04478	3.6
183.06689	0.8
183.08023	3.7
185.05998	1.4
191.08606	3.3
193.06494	2.8
194.07269	2.7
195.07988	5.7
197.06023	3.3
197.09610	1.9
199.07544	2.5
200.06976	1.5
201.05475	4.3
203.07013	1.0
207.08032	9.2
209.05988	2.1
209.09695	2.5
211.03850	0.7
211.07538	3.3
219.08054	2.8
221.06000	4.2
223.07507	2.4
225.09116	3.0
226.02405	1.4
226.08609	0.8
227.07030	1.6
228.06511	0.9
234.09044	1.7
235.07513	13.6
237.09000	3.7
238.08733	1.4
239.06955	4.5
247.07399	1.4
249.05447	3.4
253.08580	7.5
262.08575	1.0
263.07062	8.2
265.08521	1.8
266.08066	0.9
280.09637	2.2
281.08020	7.0
291.06516	1.7
296.06503	1.3
298.10754	1.0
299.09076	1.8
308.09180	1.4
309.07635	2.9
326.10297	2.1
327.08701	1.7
350.02542	1.2
354.04877	0.9
362.12299	2.5
404.13599	1.4
470.14157	4.0
488.15433	4.1
506.16498	33.9
507.17197	1.5
524.17572	100.0
525.18024	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	524.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01873	7.5
56.96559	0.9
57.03418	2.2
69.03420	12.5
73.02907	5.5
81.03414	8.4
81.36729	0.7
83.01331	0.8
85.02896	19.2
87.04467	1.4
91.05487	1.4
93.06970	0.9
97.02892	7.1
98.97580	1.7
99.04463	2.8
100.22046	0.7
101.02349	4.4
103.05453	2.0
108.04482	2.0
109.02869	7.0
115.05457	0.9
117.07005	0.9
119.04952	1.2
121.06445	1.1
123.00759	1.4
123.04465	1.3
125.02386	1.1
127.03896	7.5
128.04950	2.3
128.06244	1.5
128.98598	0.8
129.06145	0.8
129.06996	4.4
132.04453	0.9
134.06024	3.5
135.04353	1.3
136.06143	0.8
141.07030	2.1
145.05026	0.8
145.06467	2.8
146.05983	25.5
147.04410	4.5
149.05962	0.9
151.03903	2.8
152.06174	1.5
153.06975	4.4
155.04919	1.4
155.06023	1.4
155.08566	2.7
157.06476	5.1
159.04379	2.0
162.05473	0.9
163.99098	0.8
165.06909	4.5
167.08562	2.3
167.19637	0.8
169.06487	1.1
171.08060	2.6
172.07559	1.4
173.05923	3.9
178.07860	1.7
179.03386	3.3
179.08513	6.0
181.06447	16.5
181.10069	1.6
182.05931	1.4
183.04478	3.6
183.06689	0.8
183.08023	3.7
185.05998	1.4
191.08606	3.3
193.06494	2.8
194.07269	2.7
195.07988	5.7
197.06023	3.3
197.09610	1.9
199.07544	2.5
200.06976	1.5
201.05475	4.3
203.07013	1.0
207.08032	9.2
209.05988	2.1
209.09695	2.5
211.03850	0.7
211.07538	3.3
219.08054	2.8
221.06000	4.2
223.07507	2.4
225.09116	3.0
226.02405	1.4
226.08609	0.8
227.07030	1.6
228.06511	0.9
234.09044	1.7
235.07513	13.6
237.09000	3.7
238.08733	1.4
239.06955	4.5
247.07399	1.4
249.05447	3.4
253.08580	7.5
262.08575	1.0
263.07062	8.2
265.08521	1.8
266.08066	0.9
280.09637	2.2
281.08020	7.0
291.06516	1.7
296.06503	1.3
298.10754	1.0
299.09076	1.8
308.09180	1.4
309.07635	2.9
326.10297	2.1
327.08701	1.7
350.02542	1.2
354.04877	0.9
362.12299	2.5
404.13599	1.4
470.14157	4.0
488.15433	4.1
506.16498	33.9
507.17197	1.5
524.17572	100.0
525.18024	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	524.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01868	7.3
57.03418	2.1
65.89782	0.8
69.03417	22.1
69.17490	1.9
69.17899	3.1
70.06583	2.0
70.27070	0.8
71.04967	0.9
73.02901	2.9
76.81793	0.9
79.05497	0.8
81.03405	7.6
84.08134	6.7
85.02889	36.9
87.04457	0.9
91.05457	4.8
93.07047	1.1
95.04958	2.2
97.02248	1.7
97.02876	30.9
99.04445	4.3
101.02358	4.5
103.05461	7.2
105.07035	2.0
108.65287	0.9
109.02866	8.3
109.83237	0.8
115.03923	16.0
115.05424	2.1
116.07074	2.2
117.07008	3.2
119.04917	1.0
119.08595	1.5
120.08056	1.7
121.06516	3.4
122.06001	6.0
127.03889	9.9
128.06181	2.0
129.06985	11.6
129.10240	2.4
131.08528	6.7
132.04442	2.6
132.08095	2.8
133.06473	3.0
134.04535	1.2
134.08139	1.0
141.06984	3.2
143.03502	0.8
143.04893	2.7
145.04971	2.9
145.06467	8.4
145.62793	0.8
146.05989	1.1
147.04370	1.8
147.08011	10.5
148.07564	3.2
149.05981	2.0
150.05504	3.2
155.06064	1.0
156.08098	2.3
157.05139	1.3
157.06461	19.0
159.08058	8.7
160.07573	3.5
161.05959	5.6
166.08641	1.6
169.06427	0.9
171.04333	3.7
174.09135	5.2
175.07512	9.9
177.09039	1.1
181.06400	0.8
184.07535	5.1
185.05952	22.0
187.07570	3.4
202.08603	15.7
203.06993	21.1
203.08870	1.8
205.08571	1.4
213.05460	2.4
220.09583	1.3
223.14418	2.6
227.05318	1.0
230.08067	17.1
231.06557	4.7
239.04955	1.2
248.09157	6.5
249.07513	1.2
290.61862	0.9
296.06683	1.4
329.10260	1.1
347.11319	3.2
357.09723	1.4
392.13251	1.9
410.14441	8.4
427.23315	0.8
428.15237	1.0
461.14359	2.1
524.17542	100.0
525.17877	4.3
547.63977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	24.4
59.04978	2.9
60.04510	2.4
61.02909	2.9
67.05496	1.6
69.03418	80.4
69.28638	7.5
71.04986	2.2
73.02895	8.0
75.04471	2.8
79.05499	2.6
81.03400	4.1
83.08614	1.8
85.02892	61.1
87.04452	51.7
91.03954	2.5
91.22751	1.5
95.08592	1.6
97.02875	68.5
97.06521	1.9
99.04436	2.5
100.97122	1.7
109.02855	3.5
115.03913	87.5
116.04255	1.9
125.01501	12.8
127.03897	10.8
133.04942	100.0
134.05316	1.8
145.04927	16.5
150.07628	11.8
151.06000	1.9
162.07581	2.3
163.05894	1.7
167.06197	17.3
169.04898	2.0
180.08688	3.1
195.11627	11.7
213.06761	3.5
223.14371	1.8
241.07060	2.9
248.97534	1.4
259.08026	2.4
357.10873	5.2
524.29199	4.6
525.29773	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	524.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01866	9.5
55.05502	0.7
57.03431	23.4
59.04996	2.5
60.04518	1.7
61.02917	18.7
67.23937	0.5
69.03419	34.7
71.01344	5.9
71.04994	1.8
72.04525	1.3
73.02908	100.0
74.03232	0.7
75.04470	0.7
81.03413	7.4
83.01376	1.0
84.04482	0.6
85.02894	87.6
86.03217	1.2
87.04469	4.7
91.03954	4.1
96.04478	1.9
97.02880	60.1
98.03191	0.9
98.06062	0.8
99.04446	3.8
99.51648	0.6
101.02398	0.7
103.03921	2.2
109.02861	6.8
115.03917	35.8
125.01529	12.7
126.05451	1.1
127.03899	26.3
132.06558	1.3
133.04953	37.6
144.06529	4.3
145.04939	37.2
146.05286	0.6
150.07590	6.7
156.06476	1.5
157.04936	0.8
162.07570	3.1
163.06003	10.6
167.06200	18.0
180.08649	5.0
181.04941	0.6
184.19308	0.6
193.04912	1.5
199.05931	1.1
213.06773	3.3
217.07059	1.2
223.06006	4.1
241.06993	5.4
259.08069	3.9
262.93219	0.5
276.10776	1.3
277.09064	0.9
281.63318	0.6
294.11728	1.4
312.13065	0.6
327.09802	1.0
357.10858	0.9
433.21725	0.7
524.29419	1.4
525.30078	1.0
525.40979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01862	1.4
56.61796	0.6
57.03425	2.1
61.02919	4.5
69.03419	8.7
71.04990	0.8
73.02908	1.7
79.51596	0.6
81.03404	4.5
83.04980	1.2
83.51796	0.5
85.02894	39.7
85.22275	0.5
87.04444	1.1
91.03946	1.9
91.05467	1.1
97.02881	10.8
99.04437	2.0
100.33191	0.7
109.02864	4.1
111.04427	0.6
119.04898	1.0
123.04414	100.0
124.04742	1.5
127.03897	8.1
131.46130	0.6
137.05945	7.4
139.03941	0.6
145.04936	16.1
157.06505	0.6
161.05893	0.7
163.03877	1.0
163.06001	4.2
164.04208	0.7
165.05457	75.0
166.05788	1.8
178.05000	4.8
180.08620	3.4
183.06516	21.5
189.05434	1.2
206.04482	7.9
225.07443	0.6
229.08531	1.8
231.06519	2.5
249.07538	2.0
273.07480	1.0
291.08655	1.7
309.09790	1.4
315.67554	0.6
321.59070	0.6
327.10660	1.8
362.12173	1.0
427.03860	0.6
524.12860	2.3
525.17242	1.4
545.28204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22007	0.9
55.01860	1.6
55.05501	1.8
57.48486	0.8
61.02918	1.8
67.05495	12.7
69.03426	10.1
69.51861	3.4
69.66524	1.1
79.05478	2.5
81.03413	2.9
81.07052	6.5
83.04949	1.6
85.02897	19.3
90.08421	1.0
90.43135	0.9
91.05476	3.1
93.07037	3.4
95.04947	4.0
95.08601	6.0
97.02898	8.3
98.23409	1.3
99.04453	2.2
105.07011	1.6
107.08570	2.5
109.02863	3.5
109.06541	1.7
109.10147	31.3
115.03904	1.7
119.08549	2.7
121.10084	1.0
125.05957	1.3
125.56842	1.0
127.03923	5.5
133.10136	2.0
135.08014	1.7
137.06000	1.9
137.09601	99.6
138.09955	1.4
145.04965	1.9
155.10657	6.8
161.52798	0.9
163.07553	8.5
165.09102	100.0
166.09515	2.1
177.12029	1.3
183.10167	13.8
183.17606	1.0
195.10052	2.7
201.11189	25.0
213.05501	2.3
223.95253	1.1
231.06471	2.1
247.73648	0.9
259.16599	1.1
287.03656	2.7
289.05246	5.8
291.12378	2.2
309.13309	10.8
327.14343	10.4
345.15396	16.8
481.23666	2.2
515.17291	1.0
521.74182	1.0
525.22906	14.1
551.83612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
69.60481	3.2
78.71017	0.7
79.05492	4.1
91.05441	0.9
97.03880	0.8
103.05466	4.6
104.06231	1.5
105.07022	42.5
107.04942	0.8
115.05442	8.5
118.04161	3.2
131.04947	1.4
132.05724	1.6
133.06473	39.7
143.05055	1.1
143.06024	4.3
152.60655	0.8
160.05179	1.6
161.05966	37.9
165.53836	1.0
167.07040	1.3
167.27843	0.9
178.06273	1.4
193.08578	100.0
194.08957	2.7
253.10698	9.8
303.92474	0.9
432.95886	0.8
470.17474	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	524.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52048	3.7
53.54239	3.5
55.05502	12.0
57.03406	5.4
57.07060	12.8
61.57462	3.3
67.05499	6.0
69.03430	18.2
69.06704	5.7
69.07059	81.8
69.60405	9.0
69.60800	8.1
71.04987	4.6
76.33128	3.6
78.02871	3.9
79.05485	7.1
81.07045	12.8
83.08622	8.8
84.04480	7.1
85.02894	17.1
87.04452	10.1
93.07031	8.8
95.08601	15.2
97.02875	21.3
97.06507	8.7
97.10161	9.6
99.11715	6.5
100.65310	4.2
107.08569	15.9
109.10156	3.9
111.08089	6.0
111.11684	27.5
115.03912	13.6
120.08108	5.4
121.10136	18.5
122.77874	3.9
125.09628	7.8
125.79450	3.8
133.04955	13.0
135.11668	22.5
137.06021	5.4
137.09644	9.0
139.11174	28.9
145.08603	15.9
146.08987	4.0
151.07545	6.8
165.09026	9.2
177.16351	33.9
195.07947	4.3
195.13792	7.9
195.17438	58.4
206.04509	4.8
213.14839	12.7
213.18448	100.0
319.38770	4.9
327.14420	4.4
331.15186	7.4
336.50522	4.0
466.77893	4.4
469.34195	3.9
525.15405	6.1
525.22797	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.7
55.05505	12.9
57.03415	16.6
57.07066	13.8
61.02919	6.0
66.92062	3.2
67.05492	9.3
69.03419	39.2
69.07056	73.1
70.94810	5.2
71.04988	3.8
73.02901	30.6
74.36188	3.3
79.05481	6.7
81.03396	6.8
81.07047	25.3
83.04982	5.0
83.08607	10.5
85.02891	53.8
85.06523	5.6
87.04455	17.8
91.05478	9.4
93.07016	23.1
95.08587	29.5
97.02889	53.8
97.06532	4.4
97.10154	11.8
99.11747	3.5
105.07047	6.7
107.08584	27.6
109.02864	3.8
109.10146	12.5
111.08069	4.8
111.11703	22.6
115.03931	39.3
119.08615	4.9
121.10130	43.4
123.11686	8.9
124.05609	3.5
125.09643	9.7
127.03910	16.0
131.04854	3.4
131.08575	3.8
133.04933	37.2
135.11681	17.7
137.06010	4.3
137.13257	15.6
139.11174	26.2
145.04927	14.2
149.13226	4.9
150.07697	3.7
163.05997	8.0
177.09140	5.8
177.16370	96.2
177.17914	5.1
178.09464	4.5
185.05975	4.2
190.04973	6.0
195.13840	7.5
195.17406	72.4
213.14909	5.5
213.18462	89.0
213.20500	5.2
214.18761	4.2
230.08112	4.9
241.06961	5.3
259.07974	5.4
309.20700	3.9
335.09402	8.0
478.05084	3.7
524.19086	7.3
525.15198	7.3
525.22998	100.0
525.30176	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	524.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	6.0
57.03417	8.4
59.11676	6.2
61.59874	5.0
66.31667	4.6
67.05479	7.1
69.03417	20.6
69.07054	12.7
69.26021	23.9
73.02907	10.5
76.16187	5.0
76.67891	4.4
79.05480	5.1
81.07030	11.1
83.08607	5.8
85.02919	24.9
93.07032	15.2
95.08586	20.0
97.02885	30.0
98.22730	10.8
99.08076	12.0
100.62206	4.5
107.08575	26.4
109.10133	9.9
111.08081	5.9
115.03894	8.0
119.08566	11.1
121.10117	46.4
125.09600	5.8
127.03886	10.9
133.04945	11.4
134.10419	9.1
135.11650	13.2
137.13211	6.3
144.28383	5.6
145.04915	9.3
168.75909	4.3
175.14812	17.2
176.15146	14.2
177.16368	100.0
183.13524	6.1
195.17421	18.6
213.18449	45.7
219.37050	4.5
244.02493	4.5
245.62927	5.3
261.42715	5.1
336.01572	5.6
525.22974	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	524.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.8
57.03438	0.6
57.07067	3.0
58.06577	1.5
59.07379	0.6
59.56603	0.3
60.08159	18.4
67.05507	0.8
67.62687	0.3
69.07043	0.5
69.20583	0.3
69.20914	1.9
70.61221	0.3
71.06965	0.4
71.07367	7.1
71.08620	2.0
81.07047	1.0
83.08616	0.5
85.10159	0.9
86.09697	53.2
95.08603	0.7
95.84740	0.3
97.10140	0.4
98.98467	4.0
104.10731	95.9
105.11080	1.2
109.10120	0.4
123.11642	0.3
124.99989	29.0
163.01546	0.9
181.02631	0.5
184.07321	100.0
185.07678	0.7
258.11087	0.8
341.30426	1.4
373.32556	0.3
506.36093	7.1
507.36276	0.4
524.37061	22.2
525.37018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04757	2.6
57.07072	23.2
60.21841	2.4
61.02917	3.9
67.05493	7.0
69.07050	6.5
71.08620	24.8
71.44948	2.8
77.91819	2.2
79.12296	2.1
81.07056	11.9
83.08603	9.7
85.02880	6.3
85.10165	12.8
89.06016	3.1
91.03925	4.1
95.08594	20.3
97.10162	6.0
109.10122	12.0
118.17762	3.2
123.11671	4.7
133.08545	2.6
137.13361	3.1
145.04962	2.4
167.26759	2.5
172.95238	2.9
181.56284	2.6
210.97623	5.3
239.23648	29.2
286.77463	2.6
313.27304	100.0
331.28345	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.9
56.66793	9.3
57.03429	13.5
67.05492	100.0
70.41370	16.3
79.05468	24.0
81.07033	33.7
93.07044	29.0
95.08589	39.7
99.31595	12.0
108.67802	10.4
109.10129	55.2
170.11732	15.6
173.11711	24.6
229.14256	58.2
262.68634	12.2
335.25653	64.1
466.88382	12.7
489.35403	37.8
490.35538	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	525.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02903	1.4
117.46212	1.0
163.81305	1.1
182.94554	100.0
199.66678	0.9
210.97171	1.0
242.95769	3.2
247.54077	1.0
321.37814	1.2
381.03217	1.6
381.07721	8.3
458.66083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51500	0.6
55.05510	0.7
55.58868	0.6
62.13712	0.6
79.05465	1.0
81.07017	0.6
85.06574	0.7
86.28674	0.6
91.05463	0.9
93.07042	0.9
96.08095	1.1
100.11292	0.7
107.04939	1.6
108.08129	0.9
108.77562	0.6
109.10138	0.5
109.64481	0.6
110.09661	0.7
117.05450	0.7
120.08115	1.2
131.04912	0.7
136.07635	0.6
137.05975	2.6
138.09145	1.5
140.64761	0.6
149.05919	1.1
151.03876	1.8
161.05942	0.9
163.03899	0.8
166.08620	3.1
175.07457	0.6
179.03275	0.7
179.40556	0.6
181.04933	0.7
186.03429	0.6
188.03688	0.8
201.05310	1.5
205.04887	0.8
213.07356	1.6
216.07523	7.1
217.08374	2.8
221.04118	0.6
287.08932	0.8
311.12714	0.7
331.09924	6.0
357.11652	3.0
379.13690	3.7
463.19440	0.8
525.19983	100.0
525.32172	3.0
526.19366	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	525.2098
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
50.96928	2.5
55.05497	4.7
57.03426	9.1
61.02916	4.2
69.03429	12.8
73.02908	29.1
74.03230	4.7
79.05482	3.1
81.03439	3.5
81.07043	4.1
84.88121	2.6
85.02898	24.3
86.03234	3.2
89.99467	2.7
93.07059	4.4
95.08604	2.7
96.16614	2.9
97.02863	17.0
98.03210	3.9
98.97585	7.3
100.11221	2.8
115.03912	17.9
116.98611	4.0
119.08605	2.9
127.03883	6.6
131.00201	3.0
135.11629	2.6
144.06528	4.1
145.04915	5.6
158.99634	4.5
167.06172	3.0
172.35748	2.5
177.00604	3.0
277.14728	5.1
305.02640	22.9
319.15826	6.6
393.18936	3.1
400.57666	3.3
439.20081	11.2
481.22015	12.8
487.28378	2.7
507.19742	3.2
525.21503	100.0
525.30292	42.2
526.21747	4.1
552.44592	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	525.2105
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
56.96559	18.6
66.83858	2.0
75.17903	2.0
77.13190	2.2
84.96029	7.2
97.34860	2.0
98.97579	64.0
112.99136	5.1
116.98606	32.7
131.00110	5.0
134.99712	11.8
135.00554	2.5
149.01190	5.9
158.99623	5.5
159.03395	2.3
173.01242	6.9
177.00705	10.1
191.02258	6.6
219.01595	2.7
243.26743	2.7
277.14740	4.3
295.15741	4.0
303.01230	3.6
305.02631	8.0
305.14038	4.1
319.15768	100.0
320.16003	2.6
333.17166	6.5
337.16858	11.3
342.18304	2.4
361.16748	29.4
369.26254	2.3
384.93500	2.3
435.76163	2.6
438.32516	2.8
481.22205	8.2
525.20862	63.5
525.28241	5.5
526.21484	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	525.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
65.83754	2.2
67.05495	16.5
69.03419	3.9
70.51275	3.8
75.63727	2.0
79.05476	3.5
81.07049	18.0
85.02882	14.6
93.07051	8.3
95.04981	4.5
95.08595	12.3
97.02902	4.3
99.04468	4.4
109.02897	2.5
109.10149	56.8
109.10892	3.9
119.08556	5.4
121.10136	14.8
123.08110	2.6
123.11691	2.8
125.05997	6.4
127.03923	6.7
137.09599	95.6
145.04991	5.6
149.09642	3.5
155.10652	28.5
163.03943	2.7
165.07704	2.9
165.09100	52.5
165.10405	3.9
167.10645	3.7
183.10130	24.4
201.11203	100.0
219.12367	3.2
287.52512	2.1
365.75531	2.4
445.22577	2.9
525.20026	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	525.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11986	0.2
60.64381	0.2
69.83518	0.7
72.08128	0.2
78.16593	0.2
81.07073	0.2
93.70164	0.2
99.91062	0.2
103.25390	0.2
120.08798	0.2
150.66093	0.2
155.03111	0.4
158.78130	0.2
166.08716	0.2
169.04758	0.3
203.05408	0.4
275.07404	0.8
301.08801	0.3
317.08224	0.6
333.07819	1.2
335.09430	4.4
393.18732	2.4
525.23010	100.0
526.23413	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	525.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.05514	1.4
67.05491	1.0
70.71210	0.9
75.97205	0.5
91.05478	1.5
93.07030	2.0
100.80618	0.6
105.07019	1.2
107.08644	1.0
121.10166	2.1
135.11679	0.8
137.04773	0.7
137.05952	0.7
165.57004	0.7
179.01009	0.6
203.05225	3.6
243.04733	1.8
245.06305	8.0
250.72951	0.7
259.16678	4.9
261.18167	3.1
271.04288	0.9
277.17810	1.8
277.29361	0.6
287.00540	1.2
287.03702	19.9
288.04105	0.8
289.05258	80.0
290.05661	1.5
306.13593	0.6
342.01743	0.7
404.24759	0.6
439.23096	2.3
444.65466	0.6
481.24075	20.6
481.30984	1.3
482.24716	0.7
507.21951	1.9
525.23065	100.0
525.29663	5.0
526.23828	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	525.2304
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
66.05277	0.4
75.16596	0.4
107.08615	0.6
121.31094	0.4
147.82701	0.4
155.24742	0.6
214.47270	0.6
275.07358	0.8
291.33578	0.4
333.08075	1.3
335.09427	3.4
393.18765	1.9
525.23041	100.0
526.23206	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	525.2305
Annotation	Mascaroside
Peak:m/z	Relative Intensity
54.01719	0.2
55.05497	0.3
57.03429	0.4
57.07058	0.3
63.60420	0.2
67.05499	0.3
69.03419	1.1
69.15479	1.6
69.27751	0.2
73.02910	1.4
81.03445	0.3
81.07043	0.7
85.02898	2.2
95.08598	0.9
97.02901	1.6
103.92677	0.3
105.07032	0.3
107.74924	0.2
109.02883	0.4
109.10133	1.2
114.62006	0.3
115.03897	0.9
120.08142	0.3
123.11679	0.8
126.09962	0.2
127.03876	0.7
133.04903	0.6
133.80907	0.3
137.13182	0.3
145.04935	1.2
163.05989	0.4
169.04733	0.4
179.17935	1.2
197.19078	0.6
258.45093	0.3
275.07501	0.8
317.08524	0.5
333.07919	1.4
335.09402	5.6
363.10529	0.4
364.57703	0.3
393.18829	3.2
474.13309	0.3
525.23016	100.0
526.23267	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	525.2327
Annotation	Icariside E3
Peak:m/z	Relative Intensity
60.72866	2.2
70.32413	3.3
79.05504	2.7
81.07081	2.0
92.88320	1.8
93.06997	2.8
95.08621	4.1
98.23297	2.4
108.72198	2.1
109.10138	7.4
121.06491	4.8
133.06537	2.3
137.05991	2.9
149.05952	3.3
162.03067	6.6
175.62926	2.1
177.05492	2.6
188.74658	2.3
190.02597	16.9
193.04970	3.5
205.04935	100.0
206.05441	3.2
218.41856	2.0
219.06488	6.1
265.21439	2.1
275.12753	3.1
327.15918	17.7
345.16928	35.3
381.20978	2.2
507.21274	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2329
Annotation	Mascaroside
Peak:m/z	Relative Intensity
51.93119	2.7
70.56234	5.7
72.00111	2.7
84.65125	2.7
93.07028	4.0
96.76833	2.8
108.99685	2.6
109.10126	5.3
121.06454	3.9
131.04984	5.4
162.03107	9.5
164.22704	3.0
164.30266	2.7
190.02528	16.8
196.25409	2.8
205.04932	100.0
205.06818	5.8
209.69827	4.4
219.06538	5.5
228.50070	3.0
275.12762	7.3
327.15872	15.3
345.13052	5.1
345.16925	35.8
358.25577	2.6
525.29535	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	525.2667
Annotation	Ser Gln Tyr Lys
Peak:m/z	Relative Intensity
56.30592	1.2
69.31807	1.0
69.77935	1.2
71.44606	1.2
87.47147	1.1
88.46429	1.2
117.52770	1.1
127.16309	1.2
146.75801	1.3
153.65746	1.1
182.91463	1.3
185.04198	1.8
203.05237	1.6
220.02579	1.6
240.71544	1.2
259.07974	2.2
325.36282	1.4
331.09961	1.6
345.23932	2.7
363.25079	7.6
415.15640	2.2
525.26471	100.0
526.26813	5.9
545.82361	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.5
60.44579	0.4
69.44478	1.3
77.37372	0.4
78.65768	0.4
85.02869	0.9
85.84623	0.4
91.05477	0.6
98.23444	0.7
116.05679	0.4
119.04963	0.6
120.08111	1.0
123.04410	0.7
132.04460	0.4
137.05994	2.1
142.00861	0.4
147.04387	0.4
151.03839	0.7
165.05548	0.5
166.05769	0.4
166.08612	0.8
166.99579	0.4
167.07045	0.5
167.08951	0.5
177.09109	0.5
189.09094	0.5
205.84584	0.5
273.11444	0.6
299.12769	0.7
317.13745	1.1
359.90216	0.4
411.18097	0.4
525.19891	7.7
525.28741	100.0
526.21240	0.7
526.29089	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	525.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26605	0.5
51.96815	0.5
61.64898	0.5
65.30118	0.5
69.07072	0.6
69.79584	2.2
74.29048	0.6
84.24433	0.5
86.02876	0.7
191.97411	0.6
192.49503	0.6
335.50116	0.7
340.44962	0.6
525.30292	100.0
526.30658	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	526.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34221	1.2
60.04504	1.2
60.08150	2.9
62.06079	6.3
69.03419	6.3
70.06576	3.0
71.07378	3.4
71.41669	1.7
79.05518	2.0
81.03404	3.6
84.76962	1.5
85.02891	16.4
86.09698	16.0
87.04459	1.4
89.77106	1.3
91.05470	9.8
93.07049	2.7
95.04947	1.8
97.02886	5.2
97.67989	1.4
99.04484	2.1
103.05502	2.3
105.07032	1.8
106.94256	1.4
107.04961	4.9
109.06520	1.7
119.04906	6.9
121.05478	1.3
121.06499	4.6
121.10155	1.8
123.04418	35.8
124.99995	4.8
127.03900	2.9
128.76515	1.5
129.06982	5.9
131.04955	3.9
135.04395	7.5
135.08020	2.3
137.02342	1.6
137.05963	81.4
139.07469	1.9
145.05008	2.1
145.06509	3.5
147.04404	6.9
149.05945	13.1
150.06668	1.9
151.07556	7.5
157.06485	6.3
160.03926	3.2
161.06015	6.1
161.09593	1.9
163.07539	11.6
165.06982	3.3
167.08511	6.8
174.06787	3.7
175.07536	6.9
177.09135	2.7
184.07268	8.6
189.09070	21.9
193.06462	2.8
193.10095	2.2
195.07986	11.6
207.10182	2.3
210.06844	1.8
211.07484	5.4
213.09067	12.8
221.06018	5.1
221.09570	6.6
223.07481	4.0
225.09203	3.3
226.06197	2.3
227.10594	4.6
239.07034	9.8
239.10641	12.0
241.08559	16.3
249.09163	3.1
253.08655	6.0
255.06525	2.0
255.10175	3.4
258.08945	1.8
267.10199	5.6
270.08887	2.3
271.09613	16.6
273.11172	44.5
285.11157	3.6
299.12738	47.7
300.13196	1.8
317.13788	100.0
318.14182	4.0
329.14020	2.2
401.45599	1.4
479.19183	3.4
526.14777	2.6
526.17120	3.4
526.22382	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	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05511	1.0
57.03426	1.1
57.07071	1.0
59.05009	1.2
59.81318	0.8
60.85126	0.8
61.02907	1.0
67.05499	2.6
69.03422	4.0
70.01136	2.4
70.06584	1.5
73.02940	0.8
77.03925	0.9
79.05479	10.1
81.03414	2.0
81.07049	21.8
83.04964	1.0
85.02891	10.4
87.04476	1.2
91.05468	7.7
91.38699	0.8
93.06455	1.0
93.07035	18.0
95.04955	1.9
95.08600	12.3
97.02881	4.2
97.06522	3.2
103.05473	1.1
105.07016	6.4
107.04962	1.6
107.08611	6.1
110.34924	0.8
111.04420	0.9
111.08090	1.6
119.08586	2.3
121.06481	2.1
121.10136	100.0
122.10452	1.9
123.08053	1.4
123.11694	22.8
125.05968	5.7
127.03908	3.3
133.06573	0.9
133.07576	1.1
135.08090	0.9
137.05994	1.2
139.11169	13.3
145.04955	4.0
149.09595	12.9
163.06071	1.7
163.07489	1.4
163.18848	0.9
167.10663	66.9
168.10966	1.0
177.05524	0.8
185.11697	4.2
191.06894	1.1
191.72687	0.9
214.80981	0.9
306.99640	0.8
311.14581	4.9
329.16006	1.8
352.60626	0.8
526.22552	2.8
527.17365	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52373	1.1
57.03409	1.9
61.02927	1.2
61.32073	0.9
64.07707	1.1
67.05489	5.4
69.03441	2.1
69.07061	1.3
73.02908	1.7
75.04462	1.1
79.05488	8.6
81.03432	1.4
81.07048	24.9
81.07500	1.9
85.02898	9.1
87.04430	0.9
89.95276	0.9
91.05459	6.2
93.07034	39.8
95.04926	1.7
95.08595	11.1
97.02892	1.9
97.06527	3.3
103.70145	1.1
105.07022	5.5
107.04964	1.5
107.08562	6.3
109.02872	1.8
109.06512	3.3
109.10126	1.9
111.04427	1.2
111.08107	2.3
119.08569	1.4
121.06513	2.4
121.10128	100.0
122.10472	1.3
123.08064	1.9
123.11694	32.6
125.05214	1.1
125.05959	5.6
127.03896	1.8
131.08577	3.7
136.46774	1.1
139.11154	14.3
145.04956	2.7
146.70192	1.1
149.09605	16.5
163.06012	1.2
167.10657	59.8
168.11060	1.2
177.05458	1.0
185.11739	8.9
193.55087	0.9
222.78618	1.1
293.13815	1.2
300.72852	1.3
311.14923	2.4
329.16000	6.6
478.50034	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
63.29255	1.2
67.05495	1.3
69.61066	4.8
71.08646	1.2
81.07037	1.3
85.59026	1.0
89.06021	7.7
91.05471	1.7
93.07058	1.4
95.04971	2.9
95.08628	1.6
105.03378	11.4
105.04488	2.2
109.10101	2.0
115.05399	1.5
117.07021	1.6
128.06235	1.6
129.06973	8.7
131.08559	3.8
133.02837	100.0
133.08585	2.9
134.03239	1.5
157.06438	10.2
161.05943	6.9
175.07596	4.4
177.11160	1.5
185.06029	2.2
185.25082	1.1
203.07068	7.9
231.06500	13.1
327.20059	2.7
436.72009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
51.02372	0.8
53.03928	0.8
54.80644	0.2
55.01860	2.6
55.05491	0.5
57.03416	0.2
60.24223	0.2
61.71564	0.2
67.05486	1.9
68.99766	0.6
69.07053	0.4
69.64588	0.8
77.03920	1.2
77.73841	0.2
79.05491	1.2
81.07035	1.8
89.06013	0.9
91.05467	2.5
93.07018	1.2
95.04943	1.9
95.08588	1.5
96.85775	0.2
97.02866	1.1
103.05444	0.3
105.03373	13.4
105.04505	0.8
105.07009	1.0
107.04935	0.6
107.08567	0.9
108.09370	0.3
109.10129	0.9
112.00872	0.2
112.34377	0.2
115.05429	1.2
117.06994	0.4
118.06565	0.2
119.04902	0.4
119.08545	0.6
121.10127	0.8
123.11700	0.4
128.06189	1.8
129.06981	9.8
129.17079	0.2
131.04884	1.0
131.08536	4.1
133.02824	100.0
133.06444	2.4
133.08566	0.6
133.10101	0.3
134.03166	1.4
135.04362	0.6
135.11650	0.7
136.12422	0.5
140.92650	0.2
141.06956	0.5
144.05794	0.2
145.10101	0.5
147.04420	0.4
147.08035	0.8
147.11658	0.3
149.13203	0.6
157.06462	13.4
158.06819	0.2
161.05952	7.6
161.13173	0.2
163.14786	0.2
171.04346	0.7
175.07516	5.2
185.05933	2.6
189.05394	0.6
203.06979	9.7
213.05463	0.7
228.42307	0.2
231.06474	17.4
232.06796	0.4
246.75117	0.2
259.20590	0.6
261.22049	0.4
277.21524	1.2
278.22369	1.0
279.23224	0.7
327.19962	0.5
445.27371	0.3
473.26831	0.4
548.51709	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	526.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37577	3.8
55.05502	19.4
57.03426	23.9
61.02914	6.5
67.05514	19.5
67.05817	4.5
69.03059	5.9
69.03416	74.6
69.07052	12.1
69.80536	13.1
73.02899	19.3
79.05463	6.5
81.03399	7.3
81.07040	50.9
81.89088	4.7
83.08605	18.7
85.02892	92.1
85.48379	5.2
87.04450	34.8
91.05459	20.0
93.07017	12.3
95.08595	56.9
97.02876	74.9
97.10162	23.0
99.04430	6.0
100.11240	13.1
105.07062	7.4
107.08574	7.0
109.02883	11.3
109.10142	67.0
111.04419	7.1
111.61842	4.1
115.03913	71.4
119.08571	9.3
120.08073	4.8
121.10152	9.2
123.11693	70.7
127.03893	22.5
133.04942	82.5
133.10106	10.2
135.11653	4.4
137.13219	33.1
145.04947	32.2
150.07634	7.4
161.13235	24.6
163.06081	8.3
179.14304	35.7
179.17906	73.7
182.15317	9.8
197.15315	35.4
197.18980	100.0
201.50897	4.0
209.16396	4.6
210.14880	7.7
211.15268	4.9
215.16360	20.5
217.83562	5.4
241.06935	5.1
259.08005	9.5
293.21017	5.1
295.10129	11.2
422.00589	4.5
466.07986	4.0
512.55890	5.7
517.58594	4.3
526.15552	7.5
526.23071	17.4
526.30042	13.3
527.24805	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	526.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.7
55.05506	6.9
57.03434	15.2
57.07067	3.6
59.04989	3.0
61.02911	6.1
67.05508	8.0
69.03419	64.0
69.07061	6.6
69.19846	7.7
71.04991	2.1
73.02898	17.2
79.05488	1.8
79.09848	1.7
81.03398	3.4
81.07046	21.5
83.08613	7.2
85.02892	77.7
87.04454	32.7
87.04939	2.7
95.08596	27.4
97.02882	66.5
97.10166	9.3
98.22670	4.0
98.53496	1.5
99.04428	4.8
102.39666	2.0
103.03896	1.9
109.02882	6.0
109.10146	32.4
115.03923	56.6
121.10150	2.1
123.11679	37.2
127.03911	17.7
133.04953	71.1
137.13239	14.2
145.04942	27.4
150.07608	7.2
161.09094	1.6
163.05995	15.1
169.04904	2.4
177.16371	2.8
179.17932	40.4
195.17491	3.1
197.09636	1.6
197.18977	33.4
197.20604	1.4
213.29254	1.8
223.05940	3.4
224.66560	1.6
241.07060	6.0
259.08142	6.2
262.06601	1.7
277.09277	2.3
287.96597	1.6
295.10233	4.8
301.59213	2.0
311.21979	2.4
329.23196	4.5
335.09180	2.4
336.09647	1.7
359.24176	2.4
394.19119	3.0
526.23334	100.0
527.23779	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	526.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
57.07070	63.4
69.07063	8.4
69.86800	3.7
71.08624	50.9
73.06548	4.7
79.91290	1.0
83.08615	3.2
83.73288	1.2
85.10171	31.8
87.04459	4.0
89.06023	100.0
90.06368	1.0
97.10180	2.7
99.11720	7.4
107.07066	2.5
111.11696	3.4
113.13274	6.6
117.06975	0.9
117.09109	4.2
117.90834	1.0
118.17053	0.9
125.13260	1.7
127.14812	3.6
130.08676	1.2
131.07062	1.7
133.08592	68.3
151.09630	1.1
161.11705	1.3
177.11186	23.4
183.21065	2.4
195.12389	1.3
221.13770	6.1
229.11557	1.0
239.14835	3.9
271.26254	2.9
283.17542	3.1
283.39081	1.1
285.38477	1.1
315.28879	5.2
327.20078	18.5
421.35260	1.1
428.05899	1.2
509.33502	1.6
509.40491	16.8
526.43182	2.7
548.45642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24785	1.0
71.20654	1.0
71.43640	1.3
92.77895	1.0
142.01709	1.2
162.96092	1.0
184.94394	1.7
203.03424	1.1
211.39294	1.1
234.71701	1.1
374.39200	1.5
527.13672	100.0
528.14014	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15505	0.3
53.03938	0.4
67.05488	0.5
69.03416	0.9
69.57117	1.1
71.04983	14.6
77.03909	0.3
81.03402	1.6
85.02891	1.0
85.06535	2.4
89.03910	0.3
94.04190	0.4
95.04961	1.0
97.02872	1.5
98.22689	0.3
99.04427	0.3
103.07573	0.4
105.03390	0.5
109.02875	1.1
113.05997	3.3
115.94968	0.3
117.03391	0.3
121.79587	0.3
122.03626	1.1
127.03917	1.3
127.07540	7.4
131.07010	3.3
133.02834	14.9
137.05972	3.5
145.08577	35.7
146.08952	0.5
149.05978	1.4
150.03114	0.8
155.07016	0.5
165.05435	1.8
178.02588	8.0
191.09099	0.7
191.13196	0.2
193.04938	100.0
194.05272	1.8
257.10095	0.7
299.11356	0.6
317.12369	0.5
340.05664	0.3
438.34384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62553	0.5
69.07006	0.7
71.04957	0.5
71.24366	0.4
72.86634	0.4
78.45457	0.4
83.04884	0.5
83.72427	0.5
105.06929	0.7
107.04939	0.5
111.11678	1.0
129.12659	0.8
137.05981	0.7
161.05934	0.6
163.07416	0.7
181.08514	0.5
193.04935	15.2
288.33386	0.6
310.00711	0.5
365.13547	100.0
366.14014	3.6
527.18793	16.4
527.31622	1.1
545.81158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16779	0.6
69.92447	1.2
69.92834	1.3
79.64485	0.5
81.07032	0.5
140.94844	0.7
167.93610	0.6
185.04254	0.7
193.04997	1.3
227.05182	1.1
279.19394	4.4
423.23486	2.2
430.87396	0.6
441.24579	7.0
465.24564	4.8
466.00565	0.6
483.25620	18.9
484.26199	1.1
509.23544	23.9
510.23615	1.4
527.24591	100.0
528.25012	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	527.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63617	0.2
56.91065	0.2
65.40643	0.2
65.85152	0.2
69.19244	0.5
69.19633	1.2
82.79451	0.2
93.18583	0.2
98.22711	0.5
150.12534	0.2
191.79039	0.2
253.37231	0.2
275.07440	0.9
317.08279	0.3
333.07816	0.5
335.09421	2.3
368.79880	0.3
395.20328	2.9
396.21265	0.3
527.24554	100.0
528.24872	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	527.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92472	0.2
69.03448	0.2
69.07056	0.2
70.03766	0.2
70.04116	0.4
74.08524	0.2
81.07074	0.3
85.02892	0.2
93.07052	0.2
95.08633	0.2
97.02882	0.2
107.08546	0.2
119.08593	0.2
121.10100	0.2
123.08080	0.3
133.10124	0.3
135.11736	0.2
137.09621	0.2
142.87274	0.2
145.10133	0.2
183.23903	0.2
196.01772	0.2
233.15182	0.3
275.07333	0.5
287.33234	0.2
317.08456	0.5
335.09326	1.2
350.25055	0.2
395.20355	9.2
396.20874	0.4
424.57709	0.2
527.24561	100.0
528.24951	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	527.2612
Annotation	Glu Asn His Lys
Peak:m/z	Relative Intensity
56.96558	1.8
65.59241	1.3
67.05473	1.8
69.87661	2.5
69.88037	3.1
70.21312	1.3
81.07054	2.0
93.07002	1.8
98.97573	3.9
103.89660	1.4
105.07019	1.6
116.98641	2.5
119.23621	1.3
131.00153	2.9
147.58875	1.2
149.01254	2.0
158.99579	1.6
161.01350	1.4
174.57857	1.4
188.77332	1.3
194.00073	1.3
293.05356	3.2
300.42194	1.4
309.17368	3.0
331.31424	1.4
365.08481	1.5
527.26068	100.0
528.26556	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	527.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88400	9.2
69.88760	7.8
78.56814	5.0
81.07074	7.8
93.07056	6.1
98.23364	5.8
119.88240	4.6
168.49309	4.3
278.39273	5.1
527.26117	100.0
527.37616	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	527.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77714	0.6
57.07066	0.7
58.66391	0.6
67.05479	1.8
69.07069	0.7
69.30230	2.6
70.06579	0.7
79.05472	1.0
81.07047	1.2
91.05417	0.6
93.07001	1.2
95.08593	0.9
102.09160	0.6
105.07015	0.9
107.08563	0.6
116.87323	0.5
119.08548	0.6
124.93766	2.0
128.82312	0.5
147.11691	0.6
169.08609	0.8
195.35081	0.6
198.97400	17.2
200.61827	0.7
200.83344	0.6
216.98477	0.8
235.63409	0.6
256.26331	1.7
257.26694	0.9
365.16934	0.7
435.18585	1.3
526.40210	0.8
527.23639	10.3
527.31696	100.0
528.24969	0.8
528.32117	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	528.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14933	0.3
53.13040	0.3
54.32690	0.3
65.03931	2.9
67.05492	0.4
69.03412	0.5
69.69727	0.2
73.09005	0.3
75.52105	0.3
85.02888	0.8
88.20852	0.3
91.05472	100.0
92.05814	1.5
93.23391	0.3
95.04945	0.3
97.02872	0.5
125.00500	0.3
130.99773	0.3
153.00046	1.2
165.05482	0.7
167.01627	1.0
168.99535	9.9
172.19101	0.3
195.01151	0.9
241.01585	4.8
249.07527	0.4
259.04205	0.5
265.21417	0.3
279.69028	0.3
289.05252	0.3
303.06607	0.3
331.06308	3.1
349.07352	12.4
350.07635	0.5
499.97217	0.3
528.25183	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01858	1.5
55.05502	3.3
57.03427	1.7
57.07059	3.3
65.03951	1.0
67.05497	17.3
69.03431	5.5
69.07056	8.1
69.09318	2.2
69.09716	4.9
70.06578	2.2
71.04983	4.4
74.20580	1.0
78.33878	0.8
79.05482	2.3
81.03413	1.9
81.07050	33.0
83.06655	0.9
83.08603	1.3
85.02908	8.4
85.06045	1.4
85.06537	23.6
86.09699	1.7
91.05465	1.0
92.14793	1.0
93.07024	2.7
95.04962	9.4
95.08604	2.5
95.61142	0.9
97.02880	3.2
105.07010	1.4
107.08566	2.5
109.02854	1.3
109.06487	2.0
109.10147	38.1
111.08071	6.0
113.05973	0.9
123.11696	27.4
125.09607	5.7
127.03867	3.3
127.11184	59.3
128.11528	1.0
133.10112	2.5
137.05977	4.7
145.04955	1.4
146.88866	1.0
151.11169	7.3
169.12224	100.0
178.31165	1.1
179.06946	3.3
187.04897	2.0
187.13286	13.7
215.08220	1.3
242.15318	0.9
278.60345	0.9
331.17493	9.1
392.36667	1.1
528.27637	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	528.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.5
55.05505	7.4
57.07054	8.3
59.04993	2.4
61.02909	3.7
69.03413	9.0
69.07063	59.9
71.04994	4.9
71.08617	8.1
73.02908	23.5
73.06546	4.8
81.03395	3.3
83.08644	3.0
83.10555	2.4
84.04524	3.7
85.02891	25.5
85.10168	6.2
89.06026	27.8
97.02877	16.1
108.20027	3.3
111.11708	100.0
115.03918	6.7
127.03891	7.9
128.07080	2.5
129.11787	5.5
129.12746	91.6
133.04942	6.2
145.04942	8.3
199.16898	27.7
217.17943	29.9
219.93282	2.5
249.98689	2.9
323.56845	2.6
334.87369	2.7
364.14774	2.5
528.32043	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	528.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.6
57.03431	5.6
57.06812	1.2
57.07069	14.4
59.04998	4.0
60.04550	0.7
66.60585	0.7
68.84126	0.9
69.03421	19.5
69.07059	59.5
70.09001	1.9
71.04978	5.9
71.08622	11.0
71.08990	1.4
73.06540	11.4
83.08610	2.3
85.02888	14.2
85.10179	4.9
87.04453	11.5
89.06017	36.4
93.51685	0.8
97.02878	14.6
99.11707	2.0
111.11703	88.3
112.12079	1.5
115.03915	15.0
127.03911	1.5
129.12735	100.0
130.13092	1.4
133.04950	11.1
145.04930	2.1
163.06071	1.0
194.49330	0.8
199.16893	21.0
200.25969	0.8
217.17966	24.1
247.11722	1.0
277.09039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55921	1.0
55.05494	2.8
56.38739	1.0
57.07066	31.9
63.85971	1.0
70.00862	2.3
71.08625	26.9
73.06546	8.7
80.48028	0.9
83.08599	3.3
85.10168	26.3
87.04461	4.1
89.06018	100.0
97.10150	1.6
99.11707	2.7
107.07047	2.9
107.08541	0.9
108.78101	0.9
117.09113	5.9
131.07057	1.4
133.08585	49.5
139.97450	1.6
141.16296	4.9
152.22272	0.9
161.11710	1.3
177.09718	1.5
177.11201	19.6
185.19051	4.9
211.53845	1.1
221.13766	3.7
229.21591	11.9
273.24167	4.2
283.17377	2.4
327.20038	2.1
351.16986	1.0
371.22617	5.4
423.33542	1.4
511.38123	6.9
528.41504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00858	0.6
69.18155	3.6
73.02952	1.9
76.79247	0.6
85.02924	1.1
97.02920	1.2
98.23441	1.4
105.07024	0.7
107.60631	0.6
120.71659	0.6
155.03197	0.9
173.04280	0.6
185.04237	1.3
229.06889	3.2
253.11111	2.2
271.12189	1.3
317.08401	79.2
318.08710	0.9
415.16229	2.5
488.59222	0.6
528.31720	1.3
529.14130	100.0
529.20612	11.4
529.31573	6.0
530.14368	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	529.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57005	0.4
69.77464	1.1
69.77851	1.0
71.04990	2.4
71.05287	0.5
85.02795	0.5
85.06512	0.5
89.03868	0.6
94.87992	0.4
96.92252	0.5
100.22667	0.4
116.28477	0.6
117.03313	0.6
127.07510	1.2
131.06981	1.0
137.05911	0.9
145.02820	1.9
145.08568	5.7
161.09567	0.7
177.05455	2.7
179.49460	0.5
189.09071	0.6
191.08974	0.6
303.43652	0.5
310.52554	0.5
361.07129	0.5
367.11465	100.0
368.11722	2.8
443.18405	0.5
520.36456	0.6
529.16718	51.7
529.33057	3.5
530.17084	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47501	0.3
63.63782	0.3
64.16692	0.3
69.88759	0.9
75.20583	0.3
86.81886	0.3
89.54615	0.4
98.22647	0.6
120.69908	0.3
142.65288	0.3
279.02264	0.3
283.09262	1.0
306.97092	0.3
312.88916	0.3
334.95135	0.3
349.14078	3.5
367.15112	100.0
368.15488	4.0
529.20404	34.5
530.21088	1.7
538.48450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47501	0.3
63.63782	0.3
64.16692	0.3
69.88759	0.9
75.20583	0.3
86.81886	0.3
89.54615	0.4
98.22647	0.6
120.69908	0.3
142.65288	0.3
279.02264	0.3
283.09262	1.0
306.97092	0.3
312.88916	0.3
334.95135	0.3
349.14078	3.5
367.15112	100.0
368.15488	4.0
529.20404	34.5
530.21088	1.7
538.48450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2039
Annotation	Physalin Y
Peak:m/z	Relative Intensity
56.24273	0.4
69.07053	0.5
70.15625	0.7
98.23183	1.0
117.07617	0.5
119.99677	0.4
201.03694	1.4
203.05293	0.8
211.36554	0.4
217.44737	0.5
300.52890	0.4
349.14063	2.0
351.15604	27.1
352.16098	1.1
365.99411	0.4
367.15073	3.2
367.24512	0.6
440.09647	0.5
529.20392	100.0
529.33429	4.0
530.20618	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	529.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59113	0.8
67.05492	1.1
71.43472	1.0
76.07655	0.8
79.05534	1.2
84.64799	0.8
91.05450	1.0
96.41613	0.8
105.06996	1.5
107.08620	1.1
111.53604	0.8
137.06020	1.2
161.00395	1.0
190.02634	1.4
203.05234	4.0
205.04895	6.5
227.03201	1.7
271.05850	1.4
349.14044	48.2
350.14468	2.1
351.15634	19.5
367.11331	3.3
367.15268	5.4
375.16916	1.0
447.03250	1.0
529.20422	100.0
529.32843	23.2
530.21167	3.8
554.28607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46244	0.7
52.23558	0.6
56.86295	0.6
57.56844	0.6
67.05498	0.9
69.03408	0.9
69.10493	1.1
69.10901	3.3
78.88400	0.7
91.05468	1.6
93.06994	0.7
94.51357	0.8
95.04945	0.6
98.23225	3.3
105.07030	1.8
109.02892	0.7
119.04995	0.7
121.06517	1.7
133.10155	1.1
137.05995	1.6
146.07347	0.7
161.09637	2.8
174.59259	0.8
174.60692	0.7
179.03406	2.3
181.05061	0.6
184.47330	0.6
189.09138	1.5
190.02565	0.8
203.05228	6.6
205.04938	4.1
227.02989	0.9
317.08319	3.9
331.24692	0.8
349.14035	67.4
350.14618	2.3
351.15570	11.3
367.09579	8.6
367.15244	12.8
367.24423	1.4
367.85358	0.7
368.15576	0.9
529.14819	6.5
529.20557	100.0
530.20886	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	529.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.2
57.03446	3.8
57.07082	0.8
65.03944	1.2
67.05492	17.6
69.07055	3.8
69.12114	5.3
71.97856	0.8
79.05491	7.7
81.07043	14.8
83.08585	1.0
85.48964	0.7
91.05462	5.2
93.07037	9.8
95.04944	2.3
95.08585	9.8
105.07006	3.5
107.08574	4.2
109.10121	3.7
115.03652	1.5
117.06953	1.4
119.08562	3.0
121.10143	2.4
123.07982	0.9
131.08498	0.9
133.10097	1.1
134.93498	0.8
135.11697	1.8
145.10167	1.3
147.11662	1.4
156.97430	0.9
174.98537	1.0
176.99190	5.1
185.00410	0.7
195.00270	100.0
213.00102	2.4
245.68501	0.9
248.68488	0.8
266.59351	0.9
280.40988	0.9
285.00928	0.7
335.25714	18.4
353.19479	1.1
357.23840	1.3
375.25171	1.0
437.20584	1.0
455.20535	1.1
493.16263	1.0
498.78806	0.9
528.40643	1.0
529.25244	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	529.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44071	0.3
55.05493	0.3
61.93947	0.3
65.77615	0.2
70.74667	0.2
72.08136	0.4
81.07053	0.3
93.41403	0.2
105.06995	0.3
107.08589	0.3
121.10126	0.5
129.72061	0.2
137.05981	0.5
141.66472	0.2
159.37894	0.3
203.05110	0.5
217.94554	0.3
275.07318	1.8
335.09421	5.5
367.11661	0.4
367.20663	0.4
397.21896	2.4
399.62372	0.3
466.97888	0.2
529.26123	100.0
530.26550	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	529.277
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05533	0.9
78.14335	0.8
80.04050	0.7
84.04517	0.7
89.18687	0.9
147.04449	0.8
147.05661	0.8
159.85651	0.9
325.98135	0.9
365.22943	19.9
512.28149	1.0
529.27655	100.0
530.27832	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	529.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49463	0.4
57.26079	0.4
61.05215	0.5
68.96266	0.5
69.27262	2.7
71.30219	0.5
98.23534	0.5
98.45627	0.5
119.08579	0.4
122.72746	0.4
122.91695	0.5
274.27628	0.4
365.22934	13.3
529.27661	100.0
530.28003	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	529.277
Annotation	Unknow
Peak:m/z	Relative Intensity
72.53779	6.2
76.95171	6.0
81.07054	12.5
85.19521	6.6
88.91176	6.3
93.07070	12.1
95.08623	7.4
152.00395	6.9
176.99265	6.8
195.00273	31.1
197.31223	6.7
256.26379	12.1
284.82834	8.9
335.25809	7.4
437.13562	7.2
493.16489	9.9
511.12784	9.6
529.27393	100.0
539.20142	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	529.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93443	0.3
62.03997	0.3
64.20204	0.3
69.78339	1.2
69.78672	0.3
75.83714	0.3
76.01553	0.4
116.65906	0.5
124.43010	0.3
143.36659	0.4
156.58144	0.4
189.67256	0.3
203.05275	1.1
215.29956	0.4
259.07794	0.9
367.24469	0.5
464.54239	0.5
529.29749	100.0
530.29919	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	529.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80166	0.3
61.92655	0.4
67.05511	0.6
68.84812	0.3
69.03425	0.4
69.36396	0.6
69.36796	1.3
70.51001	0.4
74.09916	0.3
79.05450	0.6
80.98458	0.4
81.07043	0.8
85.02859	0.6
86.09734	0.4
91.05471	0.6
93.06995	0.5
95.08580	0.7
100.11234	0.4
101.81253	0.4
107.08591	0.7
109.10155	0.5
109.19198	0.4
119.08594	0.6
121.10064	0.5
131.08627	0.5
134.95547	0.3
135.11597	0.4
149.02391	0.3
149.09605	0.4
165.38397	0.3
223.43057	0.4
257.31516	0.4
281.58133	0.4
443.02774	0.4
529.33405	100.0
530.26117	0.5
530.33643	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	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01854	2.2
55.05502	19.3
57.03424	2.1
57.07065	5.0
65.03923	3.3
67.05492	62.3
68.05809	1.7
69.07059	19.9
69.35428	7.8
71.04974	3.2
79.05482	47.3
81.03388	3.2
81.07044	70.3
83.04970	5.1
83.08627	10.4
87.04473	2.9
88.14977	1.7
90.56371	2.0
91.05463	32.0
91.05985	2.9
93.07030	63.6
95.04953	14.1
95.08583	32.5
95.09127	3.0
97.06514	9.7
97.10150	2.7
98.23365	3.0
99.08081	1.9
102.09189	1.6
105.04482	5.1
105.07008	22.2
107.08574	30.0
109.06515	4.5
109.10123	12.6
111.08099	5.7
117.06976	9.0
119.08556	17.9
121.06461	1.9
121.10117	25.2
123.11705	3.1
129.06935	3.9
131.08553	17.2
133.10066	10.6
135.11639	14.2
137.13222	2.0
143.08534	5.2
145.10080	10.0
147.11655	7.3
149.13234	26.4
157.10127	5.4
159.11674	16.9
161.13242	5.0
163.11139	2.1
171.11659	4.9
173.13261	4.3
177.12767	5.1
195.13785	6.3
256.26355	2.8
261.22168	5.4
271.31137	2.0
276.59109	2.0
317.24600	2.5
419.33282	2.9
437.34204	3.8
455.35489	1.9
462.79681	1.8
529.38782	100.0
530.38989	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	530.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08300	3.2
58.12256	3.1
67.05492	4.8
69.07039	3.6
70.07963	5.9
79.05484	3.2
81.07050	6.1
85.02924	3.5
91.05515	5.4
107.08584	3.7
109.10138	9.1
110.08189	3.0
113.72231	3.8
127.03941	3.8
137.05937	7.3
147.04370	5.1
165.05452	100.0
175.07472	3.8
177.05476	5.8
180.59419	2.9
193.04900	21.7
202.02420	3.3
202.39967	3.3
203.06850	3.7
204.90547	4.3
205.08589	21.9
207.06563	3.0
207.10181	3.7
211.05984	41.0
230.95049	2.9
231.10132	6.2
235.06035	6.0
251.09164	19.4
271.05933	6.4
287.16409	13.7
299.16626	3.2
315.15790	4.3
333.16931	13.7
339.12134	3.9
369.13129	14.4
500.53186	3.7
531.18176	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	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.4
58.43671	11.1
60.10245	10.0
61.02905	15.5
63.41119	10.3
64.84331	10.7
65.87500	11.9
67.05489	93.1
69.07058	30.3
79.05483	73.1
79.41473	11.4
81.07047	73.9
82.77860	11.3
91.05464	97.0
93.07035	82.4
95.04944	15.2
95.08594	60.2
96.98705	11.8
97.06471	13.2
105.07039	100.0
107.08582	34.6
109.10145	33.6
112.88882	11.6
117.07024	26.8
117.59508	12.0
119.08569	73.6
120.35404	10.3
121.10139	48.6
123.11682	12.5
129.06955	23.6
131.08545	42.0
133.10121	52.1
135.11668	35.2
143.08630	13.8
145.10112	34.6
147.11691	33.8
149.13223	18.7
157.10136	17.3
159.11667	22.2
161.13222	68.2
163.11127	12.9
163.14806	15.1
171.11652	24.5
173.13269	19.6
175.14830	41.9
181.27234	11.5
185.13219	23.0
193.78116	11.6
199.14897	19.5
221.03398	12.1
229.44058	11.3
231.21104	17.1
241.19524	44.4
256.26157	13.6
259.20514	78.0
270.97269	12.2
312.87381	15.5
317.20294	15.5
351.25528	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	530.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.1
55.85195	8.3
57.07060	11.1
67.05494	63.7
69.07058	22.6
69.95227	20.7
74.84186	10.2
79.05479	82.0
80.75820	9.0
80.76717	8.4
81.07036	75.1
83.04934	9.5
83.08624	9.6
84.51514	8.4
85.02900	16.4
85.06549	10.8
91.05470	100.0
93.07029	91.6
95.04978	13.8
95.08597	51.9
98.23404	11.1
105.07023	75.5
107.08585	61.9
109.10142	45.2
117.06985	31.8
119.08569	90.3
121.10132	50.4
129.07007	20.1
131.08583	32.4
133.10126	60.3
135.11662	28.6
143.08507	17.8
145.10088	31.0
147.11659	42.0
149.09619	18.3
149.13278	12.1
157.10104	17.6
159.11694	38.5
161.13235	64.2
163.14822	16.2
168.10138	9.9
171.11658	32.5
173.13239	25.3
175.14801	60.1
185.13243	23.1
189.12617	12.7
199.14893	12.7
205.04962	16.2
213.16374	11.0
237.11607	9.3
241.19493	69.6
259.20526	71.7
333.24286	14.0
351.25150	23.1
354.40384	8.7
393.26117	10.1
530.31635	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2048
Annotation	Phenazostatin B
Peak:m/z	Relative Intensity
65.08361	0.3
70.06562	0.5
81.03329	0.4
85.37138	0.4
86.09694	1.8
103.59593	0.3
132.00095	0.4
161.25833	0.3
162.48103	0.4
185.04153	0.9
203.05257	2.7
207.09895	1.3
237.07501	1.1
308.09683	0.4
369.15155	100.0
370.15509	3.2
408.76068	0.4
522.50110	0.4
530.40411	0.4
531.20422	57.7
532.20898	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2924
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
60.75638	1.1
62.74094	1.0
69.27018	7.0
88.12282	1.7
98.23441	2.1
164.34895	1.2
315.03241	1.3
334.71051	1.3
367.24527	16.4
531.29156	100.0
532.29712	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	531.2926
Annotation	Asn Ile Glu Arg
Peak:m/z	Relative Intensity
57.07071	5.0
67.05485	3.8
70.06570	3.3
70.56794	3.1
71.08628	3.2
77.56664	1.6
81.07054	5.4
85.07806	1.8
87.04449	4.4
88.07609	6.9
93.06989	2.3
95.08606	2.1
95.87999	1.9
97.10149	1.9
102.09172	3.5
105.00086	6.7
106.78844	2.0
121.06454	4.9
136.06171	11.6
137.06473	3.2
177.12686	3.4
207.10312	2.6
256.26331	19.7
257.26678	22.3
258.27032	2.6
468.39105	2.1
531.29272	100.0
532.29431	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	531.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32962	0.2
69.03415	0.3
70.35089	0.4
82.20411	0.3
83.52919	0.3
85.02874	0.3
164.76248	0.3
195.64835	0.2
203.05304	1.1
234.48412	0.3
235.32852	0.3
306.83670	0.3
317.08514	0.4
400.46881	0.3
513.33942	0.5
531.34967	100.0
532.35339	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	531.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48284	0.3
54.62734	0.3
70.57814	0.7
85.02866	0.4
173.19646	0.4
181.76648	0.3
203.05241	17.8
220.18880	0.3
321.27594	0.6
351.28598	3.3
516.20514	0.4
531.34973	100.0
532.35327	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	532.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69754	0.2
53.03936	0.5
67.05505	0.6
68.10725	0.2
69.03420	2.4
69.20088	1.3
71.04982	38.5
73.02885	0.5
79.70371	0.3
81.03391	2.1
84.61771	0.3
85.02897	2.4
85.06531	5.3
95.04955	1.0
96.49066	0.2
97.02882	3.6
98.22588	0.5
99.04449	0.5
103.07547	0.5
109.02859	2.6
113.05984	5.4
127.03895	2.2
127.07533	16.4
131.07014	8.2
131.07994	0.3
134.10463	0.2
135.04404	0.7
141.05461	0.3
145.04944	1.5
145.08575	100.0
146.08939	1.2
155.06995	1.4
163.03882	5.7
173.08078	1.7
181.04829	0.3
185.08087	0.6
187.05933	0.5
191.09119	7.6
257.10211	1.3
275.11139	0.4
299.11160	1.2
317.12238	1.9
327.99527	0.3
335.13321	2.8
449.97626	0.3
450.67636	0.3
455.17709	0.3
480.35464	0.3
497.16623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05488	0.6
66.53445	0.5
67.05479	1.4
69.03415	3.0
70.06560	0.8
70.68711	0.8
71.04983	41.1
73.02866	0.5
79.05484	1.0
81.03408	3.5
81.03827	0.6
84.04472	1.0
85.02894	3.1
85.06536	6.9
86.09722	1.0
91.05476	0.6
93.07013	0.8
95.04948	1.4
95.08592	0.8
97.02885	5.0
97.06531	0.7
99.04449	0.6
103.07529	0.6
107.08559	1.1
109.02864	2.9
111.38243	0.5
113.05982	6.5
119.08569	0.7
127.03893	2.8
127.07536	17.9
131.07022	8.4
135.04396	1.1
145.02870	0.8
145.04921	2.0
145.08572	100.0
146.08887	1.4
155.06998	0.9
163.03879	5.5
173.08092	2.6
178.04898	0.6
184.39630	0.5
191.09117	6.1
257.10046	1.8
287.05472	0.6
317.12347	1.3
335.13126	0.9
532.18274	1.0
532.28113	1.0
533.25287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54890	1.0
53.03939	1.1
55.01862	4.7
59.04992	1.4
69.03416	8.5
71.43718	1.0
77.61386	0.9
81.03411	2.6
85.02897	8.2
86.78673	0.9
87.04474	5.6
94.99419	1.0
97.02888	12.5
99.04470	1.4
109.02875	2.7
115.03919	100.0
118.46680	0.9
127.03944	6.2
133.04959	17.3
145.04959	3.6
167.07129	0.9
207.93564	1.0
219.01875	0.9
236.95926	0.9
241.07173	1.1
259.08093	12.9
277.09158	22.9
317.12234	2.2
335.13312	2.1
344.14987	1.0
440.49649	1.0
503.07806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46231	0.5
54.78465	0.5
55.50694	0.5
57.03421	0.6
61.02905	1.8
69.03419	4.8
70.97485	0.8
71.04982	31.2
73.02930	0.5
81.03408	1.7
85.02890	12.0
85.06541	4.1
88.24372	0.5
91.03938	0.5
95.04959	0.7
97.02876	5.2
99.04441	0.9
104.00582	0.5
109.02859	1.1
110.85253	0.5
113.05981	4.8
127.03904	5.0
127.07534	14.9
131.07018	7.4
145.04930	4.1
145.08574	100.0
146.08963	1.0
155.06984	0.6
163.05977	1.2
165.61443	0.5
173.08073	4.4
181.95966	0.6
191.09108	15.0
231.08559	0.6
239.43216	0.6
275.11310	0.8
317.12329	1.1
335.13300	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	532.223
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39471	0.5
61.02909	1.9
61.29241	0.5
69.03419	7.5
69.25774	1.1
69.26174	2.3
70.23728	0.6
71.04981	33.0
73.92465	0.5
81.03410	1.7
85.02892	11.0
85.06526	4.2
94.40832	0.6
95.04932	0.9
97.02864	5.2
99.04453	1.1
103.07555	0.8
109.02853	1.2
113.05997	5.6
127.03913	4.1
127.07529	14.5
131.07014	8.8
145.04939	2.9
145.08574	100.0
146.08865	0.7
173.08083	3.9
176.93040	0.6
191.09116	17.6
191.10902	0.9
317.12198	1.5
328.62766	0.7
335.13297	18.8
394.82318	0.7
541.86786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04883	0.4
50.58077	0.3
52.90936	0.4
53.03946	0.4
53.47320	0.3
54.98079	0.4
56.91140	0.3
57.03419	0.4
64.80997	0.3
67.05482	0.7
67.44900	0.3
69.03414	1.2
71.04982	21.7
72.35280	0.4
73.38636	0.4
78.64464	0.4
81.03393	1.6
81.07066	0.4
85.02908	1.9
85.06530	2.3
93.07023	0.4
95.04969	2.3
95.05520	0.4
97.02881	2.1
99.04435	0.4
103.05453	35.6
105.04504	0.4
108.04453	0.9
108.37472	0.4
109.02837	1.3
113.05997	2.9
125.16910	0.4
127.03901	1.8
127.07537	7.8
131.04909	100.0
132.05254	1.4
141.05423	0.4
145.04915	0.7
145.08578	37.6
146.08914	1.0
155.06990	0.6
163.07518	46.2
164.07848	0.6
172.19681	0.3
173.08092	0.4
174.09608	0.4
182.86839	0.3
191.09151	1.4
191.14319	0.4
196.09341	0.4
257.10364	0.4
299.11075	0.5
335.13208	0.6
370.16226	1.7
442.20413	0.4
532.21637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63528	4.7
53.03929	11.3
55.05500	11.1
57.03422	10.4
57.07067	85.6
61.02882	5.2
67.05495	41.9
69.03417	53.8
69.07066	22.5
69.21294	24.6
71.08617	71.4
79.05480	6.0
80.56841	5.7
81.03407	78.0
81.06583	6.3
81.07031	38.1
83.08591	21.8
85.02892	52.3
85.10174	34.9
91.05482	6.2
93.07036	6.0
95.08585	71.9
95.59628	4.9
97.02876	72.8
97.10121	8.0
99.04430	14.6
104.10711	14.7
105.00127	6.0
108.69827	4.6
109.02862	47.6
109.10139	23.7
123.11716	9.7
127.03893	100.0
127.90303	5.7
134.91219	4.7
145.04919	31.7
146.51631	4.8
153.03600	4.7
182.30896	5.4
239.23642	92.8
239.25902	8.2
241.21576	4.8
325.12570	4.8
383.27826	63.0
401.28885	76.9
416.34467	5.7
473.29962	13.1
532.37323	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	532.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	79.7
60.42987	1.4
61.04898	1.4
69.29041	5.4
69.29446	2.7
73.06522	2.1
87.04454	9.0
89.06017	100.0
91.05479	8.9
93.07028	9.6
95.04944	5.6
96.30238	1.4
98.23379	2.2
102.85481	1.5
103.05440	2.3
105.07005	1.7
107.07028	1.7
107.08555	2.4
113.36548	1.4
114.87429	1.3
118.07785	5.4
119.04933	4.9
119.08562	5.2
121.04707	1.5
121.06485	43.9
121.07317	2.8
131.07010	4.7
133.08589	64.4
135.08031	3.5
135.11700	2.2
147.08014	13.7
149.09627	4.4
150.06749	2.6
163.11108	3.2
165.09084	22.2
167.10735	1.5
177.11198	24.6
177.12653	2.4
191.10669	2.5
195.00252	1.7
205.04898	2.0
209.11731	12.9
211.13443	1.7
221.13838	3.4
233.18956	25.8
259.20627	2.0
271.15442	2.4
277.21600	32.2
279.16092	1.6
315.18045	4.6
321.24228	10.1
359.20523	4.3
403.23181	35.6
515.35754	25.9
532.38184	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	533.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60895	0.2
67.01856	0.6
68.89249	0.2
68.99770	0.5
69.03420	0.3
69.17122	0.7
69.17532	0.7
70.06538	0.2
75.91190	0.2
81.03403	0.4
83.04974	1.8
84.05286	0.3
85.02886	0.6
91.05437	0.7
97.02876	0.8
105.06988	0.3
109.02820	0.3
119.04917	1.8
121.02831	0.6
127.03886	0.5
128.75272	0.2
145.02832	0.6
153.01788	4.2
163.03862	0.6
171.02831	1.1
199.87341	0.2
225.05412	0.6
229.05045	0.3
236.97385	0.2
243.06374	0.3
250.13063	0.2
269.91354	0.3
271.05954	100.0
272.06290	1.9
368.53552	0.2
434.19885	0.3
458.04138	0.2
466.99887	0.2
515.15503	1.4
520.66003	0.2
533.16150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05435	0.5
69.03373	1.2
71.43069	0.6
79.96022	0.5
84.58633	0.5
85.02824	1.9
86.09631	0.5
86.41845	0.5
91.05420	1.3
95.04926	0.5
95.05567	0.5
95.08570	0.6
97.02831	0.8
103.05413	0.5
105.06933	1.7
107.04886	1.8
107.08552	1.0
109.02817	0.6
115.05376	1.1
119.04887	0.9
121.10078	0.5
123.04359	2.1
126.38087	0.5
131.04851	0.8
132.05769	0.6
132.06847	0.6
133.06387	0.6
135.04317	0.7
137.05934	3.0
145.02724	0.7
145.06435	0.6
147.04323	0.9
149.05948	0.9
151.03790	1.6
151.07498	0.6
161.05881	2.0
167.07031	6.3
173.05943	1.2
175.07527	2.9
177.05409	1.3
186.03133	0.6
187.07491	1.3
189.05441	7.1
190.04939	0.5
190.07622	0.6
191.06943	1.5
193.08566	1.1
199.07381	1.1
201.05443	11.1
202.05768	0.7
203.07098	0.7
213.05534	0.6
221.25537	0.6
228.04079	0.8
243.06505	2.2
247.07431	0.7
249.09090	0.5
255.06361	1.2
261.12531	0.6
263.06882	0.7
281.11734	0.6
289.08469	0.6
309.11050	1.2
310.11972	0.7
321.11298	1.0
339.12296	0.7
341.13892	0.9
353.13666	3.5
361.10461	0.7
363.06747	0.8
371.14600	100.0
372.14850	3.4
381.09653	1.8
393.10007	0.7
533.19904	69.2
533.25916	2.5
534.20923	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	533.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56427	1.2
55.01867	2.8
57.03428	4.1
57.50136	1.2
61.02912	3.6
63.68813	1.4
69.03426	10.6
69.07072	1.1
70.06599	1.4
71.01346	1.8
71.41358	1.3
73.02916	3.1
81.03421	3.8
84.04528	1.2
85.02900	20.3
87.04474	2.8
91.05486	2.5
93.07022	1.4
95.05000	1.8
96.02092	1.4
97.02882	7.2
99.04491	1.9
101.02338	1.4
105.07071	1.7
107.04967	3.1
109.02912	2.6
115.05424	1.8
118.60701	1.4
119.04920	2.7
127.03909	3.6
128.72516	1.4
129.06567	1.5
130.04196	1.9
130.05058	1.4
131.04872	2.0
133.10147	4.0
135.04427	1.4
135.08028	1.9
137.05972	4.0
137.09624	2.7
144.05695	1.9
147.04419	3.4
148.78658	1.3
151.03917	1.8
159.08015	1.6
161.05972	4.0
162.06775	5.4
163.03981	1.8
165.06996	1.8
167.07027	6.6
173.09615	2.1
175.07529	2.9
177.05537	2.2
178.07825	2.1
179.07080	2.9
179.08492	1.4
187.07353	1.9
190.78984	1.2
191.06953	1.3
194.07352	1.7
211.07687	1.5
215.08522	1.6
222.06636	1.3
223.07501	1.8
224.08316	2.0
225.09125	1.4
232.08830	1.8
232.58076	1.3
233.09628	3.0
235.07594	6.0
236.08301	2.7
237.09134	3.1
239.06923	2.1
249.09099	5.7
250.06200	2.6
250.09796	2.9
251.07065	3.0
252.07893	3.2
260.08490	1.8
261.09302	2.4
263.06958	3.3
263.10724	2.4
264.07816	2.2
264.11493	1.6
265.08630	9.2
265.12115	1.3
266.09375	5.1
267.10214	4.1
277.08545	4.2
278.09277	1.8
279.06509	1.5
280.07355	3.8
280.10611	1.9
281.07944	4.6
291.10217	1.8
292.07571	1.5
292.10852	5.1
293.08063	3.6
293.11777	7.2
294.09021	1.6
295.09702	3.9
296.10507	3.8
297.07635	2.0
297.11081	1.8
306.09018	2.0
309.07870	1.7
309.11243	3.4
311.12738	4.2
312.10043	2.6
314.11447	1.8
320.10529	1.6
321.11197	5.6
323.09128	3.9
323.12708	2.4
325.10632	9.1
327.12253	5.4
327.15906	2.3
337.10626	2.0
338.11725	1.7
339.12241	38.1
340.12689	2.2
341.10159	2.8
341.13876	4.3
353.13852	12.7
355.15265	1.8
356.12399	2.2
371.14877	100.0
372.15131	4.3
373.16476	12.7
383.14667	2.6
395.14651	1.7
413.15881	2.9
533.16052	2.8
533.26971	2.4
549.39319	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60518	0.4
69.07026	0.5
79.05498	0.6
81.07047	0.7
81.22609	0.3
83.01330	0.6
85.01138	0.3
91.05442	1.8
93.07021	1.0
95.04939	0.4
95.08629	0.4
105.06963	0.4
105.95533	0.3
106.04185	0.4
109.06487	0.6
109.10132	0.7
119.04872	0.5
121.06493	3.9
123.11699	0.9
131.04906	2.8
134.03632	0.8
147.04388	0.6
149.05994	2.0
159.04364	0.9
161.20969	0.3
162.03081	6.2
171.04420	0.4
173.06026	0.5
177.05441	1.6
184.67259	0.4
189.05357	0.7
190.02570	13.6
193.04912	1.2
199.03818	2.0
205.04926	100.0
206.05328	2.3
207.06476	1.4
207.83850	0.5
213.05405	0.7
217.04951	0.6
217.08559	0.5
219.06490	8.4
227.06909	0.8
231.06544	2.5
233.08081	2.9
243.06497	0.9
245.07999	1.2
247.09650	3.4
256.26111	0.4
259.09622	2.4
261.11188	7.7
273.11163	13.6
273.14096	0.9
287.12827	1.8
327.15836	1.1
329.17407	13.2
341.17346	0.8
451.13748	0.5
463.14813	0.4
533.21686	5.8
533.37946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55425	0.6
67.42436	0.6
69.12314	3.8
70.06550	1.2
84.08096	0.5
85.02845	1.1
86.09664	1.1
97.37564	0.6
104.78638	0.5
107.67305	0.5
115.03893	0.5
120.08091	0.7
129.93098	0.6
137.05884	1.4
150.67809	0.5
151.03830	0.7
163.03874	1.1
185.04129	1.0
221.06053	0.6
295.06131	1.5
323.05606	0.8
371.16733	100.0
372.17154	2.6
533.22009	78.4
534.22211	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	533.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13831	2.4
86.56635	0.4
92.72035	0.4
97.04214	0.4
110.95563	0.4
151.06325	0.4
259.26111	0.5
275.07297	1.0
313.16235	2.1
317.08362	1.0
335.09378	3.9
401.21527	1.2
445.20392	24.7
446.20923	0.8
521.12433	0.5
533.25629	100.0
534.26080	4.3
537.50549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2563
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
51.01927	0.3
56.23630	0.3
57.03398	0.3
67.15740	0.3
87.04443	0.4
103.21810	0.2
134.76350	0.3
235.06848	0.3
313.16165	0.5
317.08463	0.8
333.07806	0.3
335.09470	2.2
404.07886	0.3
445.20380	24.2
446.20773	0.8
533.25616	100.0
534.25946	5.0
537.06708	0.3
542.56714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01853	3.6
55.05501	1.4
57.03214	0.7
57.03427	6.8
59.04986	0.8
61.02920	9.9
67.05489	2.3
69.03419	29.3
69.07056	7.1
69.22784	2.6
71.04981	4.6
73.02904	4.0
74.90151	0.7
79.05482	2.9
81.03400	13.6
81.07053	4.5
83.01319	1.0
83.04978	0.8
83.08604	2.5
85.02892	100.0
86.03219	0.9
87.04456	4.1
91.03934	5.0
91.05462	2.0
93.07019	2.9
95.04952	6.6
95.08602	3.5
97.02879	36.0
97.06524	4.0
99.04446	7.0
101.02348	0.7
103.03967	0.9
105.07015	3.9
107.04939	1.4
107.08575	5.7
109.02869	10.2
109.03565	1.3
109.06492	5.4
109.10129	2.4
111.04385	0.9
111.08084	0.9
113.05927	1.0
115.03918	1.1
119.08611	3.1
121.06497	3.0
121.10126	2.5
122.07291	3.8
123.07156	0.8
123.08050	21.0
127.03898	25.8
127.07516	1.2
131.08568	1.4
133.10121	5.9
135.08034	28.9
135.11674	3.0
137.05946	0.7
137.09605	1.5
145.04941	41.8
145.10110	1.8
147.11650	3.3
148.08800	1.0
149.09627	2.2
149.13229	1.4
161.09691	0.9
163.05994	6.7
163.14696	0.8
165.12729	18.9
171.06546	2.8
173.13268	1.6
175.11162	0.7
175.14764	4.6
176.11932	4.5
177.12810	0.7
184.64850	0.7
189.07581	2.5
191.14278	93.7
192.14641	2.8
193.15840	12.0
207.13815	3.0
209.15344	15.6
240.28017	0.7
302.76709	0.8
319.64136	0.6
335.18484	0.9
353.19583	2.6
363.61450	0.7
371.20581	9.4
388.50751	0.8
533.25861	26.7
534.26898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86451	0.9
55.05494	1.2
57.03436	2.0
60.15507	0.8
70.06584	4.2
71.04987	19.0
72.08144	1.5
72.25970	0.8
83.08597	1.0
84.04504	2.0
85.02894	2.7
86.09700	7.3
91.21925	0.8
93.07008	1.5
99.04442	100.0
100.04787	1.1
100.11241	3.7
102.05569	1.2
103.05448	1.5
105.07024	5.4
107.04974	1.0
120.08077	1.9
133.06464	11.5
137.05957	13.1
145.08611	0.9
145.10175	1.0
150.06708	1.4
151.03864	1.8
163.07553	1.2
165.09064	7.5
166.52295	0.9
173.08083	23.2
173.09564	2.2
175.07552	2.6
183.10091	2.8
191.66208	0.8
203.10652	7.1
203.13826	1.0
206.04482	2.2
207.10092	1.1
221.11667	3.2
239.15036	2.8
257.13776	5.1
281.13788	3.4
305.13638	1.0
307.09341	1.1
309.11325	1.1
319.15280	1.2
337.16434	18.7
446.92920	1.0
517.18304	0.9
534.43677	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	534.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
57.07067	3.1
64.24137	0.5
67.05480	0.9
69.03412	2.3
69.68987	1.4
69.69353	0.9
70.06591	0.5
71.04986	35.5
73.02921	0.6
75.62291	0.5
79.98025	0.5
81.03409	3.1
81.07028	1.1
85.02884	3.0
85.06533	6.5
95.04951	1.1
97.02887	3.4
99.04435	1.1
103.03937	1.1
108.04462	0.8
109.02859	2.9
113.06001	5.0
116.07061	0.6
127.03925	3.2
127.07537	17.4
131.07019	9.2
136.04422	0.5
137.05951	1.2
141.09081	1.5
145.04913	1.9
145.08580	100.0
146.08942	1.3
151.03902	1.3
155.07011	1.1
159.10153	6.3
163.06140	0.7
168.70520	0.5
173.08075	1.5
175.14818	0.9
176.04648	0.5
185.08116	0.7
191.09142	8.5
191.10725	1.0
201.05565	0.7
209.93617	0.6
229.04927	2.1
257.10202	1.5
273.11389	0.7
275.11166	1.2
288.29202	0.6
291.12274	0.9
299.11258	1.1
317.12289	1.7
335.13348	3.7
534.19714	2.1
535.21143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66045	0.3
54.23608	0.3
56.05019	0.8
58.06587	1.1
60.08153	4.9
62.19970	0.3
67.05473	0.5
69.47609	0.8
69.48029	0.7
71.07359	3.9
81.07004	0.4
86.09689	21.8
104.10722	100.0
105.11028	0.7
162.95540	0.8
184.07339	0.7
212.23816	0.3
475.22128	22.3
476.22412	0.7
534.29480	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	534.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.01867	2.1
55.05502	25.6
57.03419	5.0
57.07073	9.9
61.02909	3.3
62.11884	1.7
65.03941	2.8
67.05492	90.3
69.03416	8.4
69.07049	28.5
69.20356	5.5
69.20782	7.3
71.04969	3.8
71.08621	5.2
72.02249	1.9
73.02923	2.2
79.05480	27.7
79.58833	1.9
81.03417	6.4
81.07040	100.0
81.46595	2.2
83.04951	2.6
83.08596	19.6
85.02890	10.2
85.10182	3.3
91.05463	26.4
91.06000	3.5
93.07017	38.1
95.04972	3.0
95.08587	76.6
97.02863	3.8
97.06504	6.3
97.10152	12.1
99.04435	3.2
99.08080	3.4
101.89451	1.9
104.10728	5.5
105.07009	11.9
107.08588	24.1
109.06504	2.3
109.10133	38.9
111.08068	4.8
111.11678	3.9
113.09628	2.8
116.06154	1.8
117.06983	3.4
119.08521	13.4
119.33392	1.9
121.06542	3.0
121.10116	23.3
123.11680	18.0
127.03886	2.5
131.08588	2.3
133.10097	15.6
135.11684	9.4
137.09615	2.3
137.13200	10.1
139.59406	1.9
141.12685	3.2
142.31543	2.4
145.10071	3.5
147.11632	10.0
149.13257	12.0
151.11058	2.9
151.14798	6.1
155.14272	2.3
157.10146	1.9
161.13222	17.2
163.14798	10.2
165.12805	2.0
165.16364	6.4
167.14334	2.5
171.15118	2.1
173.32048	2.3
175.14816	12.1
179.17943	6.2
181.15845	2.4
189.16335	3.1
210.88159	1.9
245.22585	48.0
263.23660	58.5
284.77267	2.1
293.24750	2.8
337.27371	25.2
347.25879	2.8
353.24649	5.4
371.25638	9.4
389.26477	6.3
407.27820	8.4
425.28705	4.3
454.22556	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	534.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
56.05029	1.3
57.07066	2.0
60.08152	7.8
60.58066	0.7
67.05497	9.4
67.92253	0.7
69.07041	2.1
69.18945	1.2
69.19346	3.1
71.07364	6.2
79.05468	2.1
81.07039	10.9
83.08627	1.9
86.09695	26.5
89.06007	1.3
89.98669	0.7
91.05470	1.6
93.07027	3.0
95.08599	9.0
97.06515	0.8
97.10153	1.1
98.98473	0.9
104.10731	100.0
105.07008	1.4
105.11057	1.1
107.08593	1.7
109.10146	3.4
113.09622	1.0
119.08591	1.5
121.06499	1.0
121.10138	1.7
123.11684	2.4
124.99975	3.7
133.10112	2.1
135.11662	1.0
147.11702	1.4
161.13257	1.7
162.95557	1.0
163.14735	1.1
165.16368	1.2
175.14758	1.0
177.11168	0.7
184.07310	11.2
184.08846	0.9
205.04851	0.9
245.22591	5.5
263.23685	4.6
337.27258	6.0
475.22180	21.2
476.22806	0.9
534.29120	7.8
534.35132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76978	0.3
58.78437	0.3
69.33279	1.8
73.04734	0.4
74.59571	0.3
79.05486	1.4
85.02885	0.9
91.05823	0.4
93.07051	1.6
95.04951	0.5
97.02903	0.5
98.23364	0.5
103.05450	7.6
107.04954	1.6
109.02791	0.3
118.06587	0.5
120.08086	100.0
121.08440	1.7
128.04973	0.8
130.06508	0.8
131.04910	2.7
132.08058	0.3
142.06494	0.3
145.71823	0.4
146.05983	34.5
147.06305	0.6
148.03914	0.4
149.05942	1.7
158.06004	1.0
160.07565	1.3
163.03856	0.5
166.08612	43.1
167.05530	1.0
167.08919	0.9
184.07500	0.4
188.07047	4.4
190.04958	6.0
208.06033	5.1
212.07097	0.9
240.98000	0.4
252.01982	0.3
299.06085	1.9
308.11282	0.6
324.97977	0.3
344.97601	0.5
352.10187	0.6
383.34656	0.3
552.31201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.3
64.67533	2.4
65.03937	3.4
67.05488	2.8
69.55209	10.8
73.04756	4.3
79.05480	10.1
85.02880	2.9
88.51490	2.2
91.05443	9.9
94.04182	2.9
95.04977	14.2
96.46803	2.6
97.88552	2.3
103.05432	6.9
105.03423	3.6
105.04399	2.3
105.07036	13.5
107.04939	17.8
111.04481	4.3
115.05425	7.2
117.03289	2.6
119.04920	7.3
121.06463	5.6
122.03647	12.5
123.04402	6.2
129.06995	4.0
131.04906	10.9
132.05698	3.5
133.02814	6.3
133.06458	8.2
135.04384	9.6
137.05965	90.0
145.06427	4.1
147.04358	4.9
147.08066	5.2
149.05948	7.8
150.03111	2.5
151.03905	79.9
151.05031	12.1
155.04846	3.4
159.08022	5.9
160.05203	5.1
161.05945	19.2
163.03874	2.9
163.07603	2.8
165.05475	14.3
165.06671	2.5
166.06172	2.6
167.05511	7.0
167.07047	9.3
172.05235	5.1
175.07533	19.3
177.05458	8.4
178.06285	3.4
178.07727	4.9
179.06999	6.4
179.08507	2.5
185.05968	9.7
186.06734	5.4
187.07553	21.5
189.05385	6.7
189.06894	4.6
190.07751	6.9
191.06985	5.5
191.08560	8.2
195.06519	31.2
198.06744	5.7
199.07509	9.1
201.05527	4.5
202.07741	7.9
203.06924	5.1
203.08604	6.5
205.06381	8.2
206.07237	8.7
207.08127	3.7
215.06827	3.3
215.08641	6.2
216.07750	21.6
217.08600	3.8
218.07220	12.0
219.08081	15.4
220.08847	4.0
221.09586	14.4
223.95062	3.0
229.06470	3.3
231.08008	7.5
232.08728	4.1
233.09546	8.5
234.06750	9.9
235.07515	11.4
236.08311	3.5
243.08179	2.8
245.05786	3.9
246.06660	7.6
247.07518	12.7
248.08316	9.3
249.09113	21.2
251.07179	3.3
251.10661	8.0
252.07764	3.1
258.06873	2.9
259.07516	4.6
260.08331	3.9
261.09027	13.1
262.06302	4.1
262.09674	3.5
263.07123	6.1
263.10535	4.3
264.07816	4.5
265.08600	5.6
275.07040	6.2
276.07788	3.8
277.08560	28.4
278.09229	10.6
279.10043	11.2
281.11664	4.7
283.09799	3.6
289.08319	13.3
290.09344	7.7
291.10065	8.4
293.11694	11.5
294.08789	3.5
295.09567	3.6
297.11316	5.1
297.26321	3.1
299.06250	18.7
303.10135	3.2
305.08066	3.9
307.09589	13.6
309.11194	100.0
310.11880	10.1
311.12610	6.7
313.10495	3.1
319.09753	3.8
321.11160	49.2
322.12042	17.2
323.12701	4.9
335.12320	2.6
337.10611	13.1
351.12173	6.1
363.12051	6.8
401.76913	2.4
415.03595	3.2
457.16705	3.2
469.16119	3.5
487.17377	6.6
499.17548	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	535.2147
Annotation	piperaquine
Peak:m/z	Relative Intensity
62.03975	0.5
63.32074	0.4
69.03436	0.8
69.21590	2.7
73.04784	0.5
73.72311	0.4
77.90910	0.4
79.18110	0.4
80.20152	0.5
85.02896	0.9
87.86700	0.4
92.81277	0.5
93.07037	0.9
97.02869	0.6
103.05484	0.6
105.07009	0.6
107.08608	0.5
124.47324	0.5
128.40514	0.5
137.05975	2.8
143.03195	0.6
144.77496	0.5
145.02824	0.9
145.08708	0.6
149.04449	0.5
149.05971	0.7
151.03908	1.5
151.07475	0.7
155.78925	0.5
161.05998	1.3
167.05643	0.8
167.07054	1.5
173.02112	2.0
176.04488	1.1
177.05498	1.8
189.05243	1.6
195.06581	0.5
203.07031	0.6
221.04335	1.0
233.04193	8.5
287.05347	1.1
299.06229	1.3
305.06604	0.5
309.11148	0.8
313.10815	0.9
313.14081	4.0
328.16446	1.7
336.64609	0.5
338.09668	1.5
355.11005	0.7
355.15121	9.1
373.16165	38.3
374.16470	0.7
471.99570	0.5
517.20447	9.0
535.21442	100.0
536.21741	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	535.2704
Annotation	GV 150013X
Peak:m/z	Relative Intensity
88.02220	2.2
93.91974	1.3
96.59341	1.4
98.23472	2.5
141.05099	1.6
147.63431	1.5
175.12852	1.5
216.65028	1.5
389.18033	1.8
405.20822	8.5
419.22464	10.6
420.22675	3.3
433.19403	2.6
433.24411	2.4
434.24713	4.7
435.25204	12.0
447.21384	10.6
461.23325	1.6
507.27499	6.5
535.26953	100.0
536.27362	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	535.2747
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.02516	4.0
55.05498	10.0
57.03436	4.7
59.26803	4.2
67.05499	20.0
69.03426	12.2
69.07053	15.6
69.40325	16.8
69.40730	7.0
71.05019	3.8
79.05474	9.7
81.07057	27.5
83.04973	10.4
83.08614	5.5
84.08130	4.2
85.02917	18.7
86.09689	5.1
90.04585	4.1
91.05846	7.5
93.07022	14.3
95.04990	5.1
95.08586	32.5
96.16090	3.8
97.02886	7.1
99.08128	5.1
103.05490	4.8
105.07026	11.1
107.08578	34.0
109.06516	8.1
109.10136	96.7
111.04414	4.1
111.08099	4.9
115.03924	4.6
119.08560	47.3
120.08877	4.8
121.06443	4.8
121.10128	14.0
123.08041	14.5
123.11681	7.7
127.03909	5.0
130.87744	3.8
131.08615	4.9
133.10110	22.9
135.11668	93.6
136.03815	3.9
137.05981	16.2
137.09573	15.4
144.56151	4.4
149.13226	8.4
151.07489	4.7
151.11179	8.0
151.14807	9.6
159.11749	6.0
160.12047	4.8
161.06078	4.9
163.03955	5.0
163.07480	4.8
165.09286	4.9
167.05511	11.3
169.95892	3.9
175.14783	34.5
177.12781	8.7
178.12973	4.8
193.15878	62.9
205.12250	7.8
206.12567	9.9
210.14931	4.7
211.16888	100.0
223.13251	13.2
224.13617	12.3
299.06168	22.8
409.15561	4.1
535.27002	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	535.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77756	0.5
69.75169	1.7
73.04745	0.8
73.19970	0.5
91.05767	2.0
93.06994	0.6
98.23409	0.6
101.63583	0.5
109.02372	0.5
117.80153	0.6
121.65298	0.5
167.05562	1.9
201.59053	0.5
254.53178	0.5
299.06094	4.3
344.97919	0.7
535.28699	100.0
536.28894	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	535.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74916	0.3
59.45689	0.3
63.91894	0.3
67.05527	0.3
69.68616	0.3
71.43761	0.3
73.04724	0.4
76.95119	0.4
84.91936	0.3
85.81519	0.3
91.05790	0.6
123.08109	0.3
164.92094	1.1
167.05550	1.2
185.04216	0.4
193.04921	0.5
203.05287	0.8
205.04939	2.2
207.06528	0.8
216.77013	0.3
218.35400	0.3
219.06548	0.4
259.07880	0.6
283.03122	0.5
299.06183	2.0
338.79764	0.3
344.97772	0.5
393.17932	0.3
415.03784	0.4
535.28741	100.0
536.29187	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	536.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27757	0.5
69.03416	0.8
69.43157	0.6
73.04749	3.8
81.03400	3.8
83.75854	0.5
84.08144	0.8
85.02892	1.6
91.05782	8.8
97.02883	1.1
99.04446	1.0
107.04938	15.2
109.02863	4.8
114.63329	0.6
124.01379	0.6
127.03905	1.7
139.03885	0.8
145.02853	1.2
149.04472	1.8
167.05545	9.0
177.05486	2.9
187.06032	1.0
205.07019	1.2
223.06293	0.9
225.04251	2.0
239.09460	1.7
242.10028	4.3
266.99911	2.0
281.05176	1.2
283.03015	3.7
287.11026	2.1
299.06128	16.0
300.06326	0.9
308.93372	0.5
317.08466	1.2
333.11548	1.2
339.10724	6.4
344.97665	3.0
359.02817	2.4
404.15213	12.3
405.15573	0.8
415.03671	3.0
419.15137	16.6
465.15955	0.9
536.19421	100.0
537.20264	3.8
537.51910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54849	5.3
57.03429	53.7
57.29230	5.5
63.33319	7.8
69.51073	25.8
70.06586	16.4
71.04987	15.8
72.08174	6.0
73.02901	14.1
73.04756	26.5
75.61504	5.9
81.07031	6.4
83.04961	5.5
84.04488	7.7
85.02909	33.8
85.03349	6.7
86.09711	6.4
87.58397	5.8
91.05817	42.5
93.07059	7.9
95.08569	7.2
97.02888	6.3
107.08620	5.5
109.06521	15.2
115.03905	5.8
117.47020	6.5
119.08553	8.2
121.54344	5.3
123.08051	6.4
131.07040	8.0
137.05951	18.0
145.04980	7.1
149.04466	9.8
151.03882	7.9
161.05850	6.0
167.05598	44.0
177.05481	24.2
185.58867	6.1
207.13773	26.6
211.09630	96.5
225.04398	7.7
225.14890	37.5
239.09531	8.2
266.99866	14.4
283.03091	14.9
299.06088	100.0
310.26605	6.4
316.51025	6.4
344.97614	19.9
415.03595	13.8
425.38260	6.2
503.10312	6.5
536.22443	9.0
537.19421	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	536.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54849	5.3
57.03429	53.7
57.29230	5.5
63.33319	7.8
69.51073	25.8
70.06586	16.4
71.04987	15.8
72.08174	6.0
73.02901	14.1
73.04756	26.5
75.61504	5.9
81.07031	6.4
83.04961	5.5
84.04488	7.7
85.02909	33.8
85.03349	6.7
86.09711	6.4
87.58397	5.8
91.05817	42.5
93.07059	7.9
95.08569	7.2
97.02888	6.3
107.08620	5.5
109.06521	15.2
115.03905	5.8
117.47020	6.5
119.08553	8.2
121.54344	5.3
123.08051	6.4
131.07040	8.0
137.05951	18.0
145.04980	7.1
149.04466	9.8
151.03882	7.9
161.05850	6.0
167.05598	44.0
177.05481	24.2
185.58867	6.1
207.13773	26.6
211.09630	96.5
225.04398	7.7
225.14890	37.5
239.09531	8.2
266.99866	14.4
283.03091	14.9
299.06088	100.0
310.26605	6.4
316.51025	6.4
344.97614	19.9
415.03595	13.8
425.38260	6.2
503.10312	6.5
536.22443	9.0
537.19421	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	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28840	0.6
55.05487	1.0
57.03434	5.1
59.04990	1.7
59.41306	0.7
61.02910	0.8
67.05506	1.8
69.03423	15.6
69.07043	1.1
70.06581	2.3
71.04971	1.3
73.02885	1.4
73.04739	5.7
76.16587	0.8
79.05480	1.8
81.03403	1.2
81.07034	2.0
83.04955	3.2
84.08126	1.1
85.02891	11.7
86.09721	1.5
87.04460	10.7
91.05812	11.1
91.63724	0.8
93.07029	1.4
95.04948	3.2
95.08595	3.3
97.02880	14.1
97.06499	1.8
99.04443	2.9
103.03901	1.0
103.05408	0.7
103.68808	0.8
105.07021	1.9
105.20612	0.7
106.06544	2.0
107.04917	0.9
107.08541	3.9
109.06516	4.7
110.06073	0.9
111.04430	1.9
112.52693	0.7
115.03922	14.9
117.03397	0.7
119.08587	1.5
120.08087	2.0
121.02924	0.7
121.06526	1.5
121.10129	5.6
123.08053	100.0
123.11610	1.3
124.07576	1.0
124.08379	1.5
125.09602	0.8
127.03882	1.4
131.04903	3.1
131.08551	1.0
133.04948	15.0
133.10103	1.4
135.04372	2.2
135.11742	1.5
137.05948	2.9
137.09608	1.3
142.54268	0.7
143.08556	0.7
145.02802	1.4
145.04930	1.6
145.10120	0.9
149.04474	2.0
149.09616	2.2
151.03859	1.4
151.06360	0.9
151.07513	3.5
151.11185	7.6
152.07018	1.3
155.34625	0.7
161.05949	0.8
163.03854	9.2
163.07513	1.3
163.11156	2.1
165.12749	2.2
166.08612	0.9
167.05540	12.2
167.06880	1.0
167.10634	3.5
169.05046	0.9
177.05292	0.8
181.12190	10.2
183.08925	4.0
183.13771	0.8
189.12831	2.2
207.13754	10.9
223.06245	1.0
225.04298	2.1
225.14818	46.7
226.15192	1.0
239.09576	2.1
249.05411	1.7
249.14940	2.0
259.08029	1.1
266.99863	2.7
267.06494	1.4
270.38528	0.7
281.05048	1.4
283.03021	3.6
295.05994	0.8
295.10089	0.9
299.06125	24.4
325.11130	0.8
344.97580	5.1
359.02701	1.9
415.03473	4.0
503.10516	2.0
536.18781	1.5
536.29315	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	7.8
69.14855	10.6
70.06577	7.6
73.02911	2.9
73.04752	5.8
79.05471	2.3
84.04478	2.4
85.02902	8.9
87.04441	4.9
91.05789	8.9
92.90160	2.1
93.06997	2.1
95.04922	4.6
97.02890	4.7
99.04488	3.1
105.07029	21.0
107.08566	4.7
109.06506	2.2
115.03919	5.5
117.06985	3.2
119.08560	12.9
120.08065	2.2
121.10094	4.3
123.08068	4.7
127.03868	3.0
131.04909	2.6
131.08514	2.2
133.04933	6.4
133.06464	6.1
133.10092	3.3
136.07620	2.0
137.05974	2.8
143.08510	2.8
145.10126	13.0
146.04514	2.1
147.07994	3.4
147.11670	19.3
150.69553	2.1
151.07579	3.5
156.09308	3.2
161.09602	6.1
163.03867	3.1
163.11136	3.0
167.05516	11.0
167.10599	2.8
171.11635	2.2
179.04884	2.2
183.08850	5.6
188.05605	2.6
189.09041	3.2
189.12712	100.0
190.13048	3.8
207.13824	15.7
220.37848	2.0
225.14857	5.7
249.05545	3.3
259.08133	2.2
266.99982	2.9
267.06519	4.2
283.02997	2.3
291.15256	2.1
295.10156	4.1
299.06216	23.2
344.97592	5.3
415.03448	3.1
495.00562	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	536.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96770	1.9
55.01850	2.4
55.05502	3.6
57.03427	8.2
59.04979	3.2
69.03415	20.9
69.07047	4.1
69.23032	9.3
69.23435	4.6
70.92204	2.1
73.02900	2.8
73.04749	4.9
81.07037	5.7
83.04987	7.4
85.02888	32.8
87.04455	14.8
91.05814	10.7
93.07044	3.2
95.04967	5.4
97.02882	19.0
97.06532	3.2
105.07013	10.2
107.08586	5.5
109.06487	12.6
109.10178	4.2
111.08048	7.0
115.03907	20.3
119.08575	8.9
120.08114	4.5
121.10143	14.0
123.08064	7.3
123.11672	13.5
125.09677	2.7
129.10246	2.5
133.04944	21.2
133.06511	8.2
133.10123	3.6
135.11646	2.2
135.63472	2.1
137.05934	14.2
137.09584	25.2
145.04961	2.7
145.10121	3.8
147.11665	13.5
149.04388	2.6
149.09604	7.1
151.07581	4.1
161.09521	2.2
161.13217	8.8
163.11250	4.0
165.09119	7.5
165.12730	89.2
167.05513	10.8
171.11671	4.3
174.10390	4.2
175.09656	2.5
179.14307	6.4
183.10205	2.8
189.12706	18.0
207.13771	100.0
208.14169	2.5
225.04248	4.3
225.14908	5.7
239.09570	3.0
257.13730	12.6
266.99979	5.0
299.06165	22.2
344.97546	6.0
359.02859	2.6
409.75259	2.2
413.65701	2.2
415.03391	5.0
536.21960	5.4
536.29816	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	536.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78093	0.6
53.03930	0.9
55.01867	2.0
55.05505	0.8
57.03428	5.7
58.13040	0.7
59.04991	0.8
61.02919	4.1
67.05488	1.7
69.03420	13.7
69.07053	0.7
69.08727	2.8
69.09142	1.3
70.06578	1.9
71.01348	1.7
71.04977	1.4
73.02910	23.2
73.04751	4.9
74.15905	0.6
79.05458	0.8
81.03411	1.7
81.07053	0.7
83.04980	3.2
85.02893	21.3
86.09695	1.3
87.04437	3.3
91.05368	0.5
91.05801	6.8
91.39775	0.7
93.07050	1.5
95.04945	1.8
95.08598	2.6
97.02888	20.3
97.06524	2.0
98.22706	1.7
99.04440	2.0
105.07012	1.5
107.08593	1.7
109.02838	1.3
109.06496	2.2
111.04449	1.0
115.03916	11.4
119.08568	2.1
121.06518	0.9
121.10139	5.3
123.08054	100.0
124.08396	1.8
127.03903	6.7
128.87193	0.6
131.04955	0.6
133.04947	10.5
133.10182	0.6
135.11697	1.0
136.07564	0.7
137.05975	1.8
145.04915	7.5
145.10036	0.8
147.11655	1.1
149.04453	1.4
149.09637	2.4
150.07628	0.9
151.03864	0.6
151.07556	0.8
151.11156	7.2
159.54364	0.6
163.05966	3.4
163.11188	2.8
166.08672	0.7
167.05562	8.2
167.06921	1.3
167.10651	2.6
168.30260	0.6
177.05458	0.6
181.12225	10.4
189.12675	2.0
207.13791	7.7
223.06192	2.1
225.04239	1.1
225.14821	39.2
230.28728	0.7
239.09390	0.8
241.07036	2.5
251.72864	0.6
259.08017	3.5
266.99826	1.4
277.09338	0.8
281.05313	0.7
283.03064	2.1
295.10364	0.8
299.06131	14.0
313.12198	0.6
314.99380	0.6
344.97589	2.8
359.02866	1.3
391.26666	1.2
415.03442	2.7
493.33591	6.1
519.31580	3.1
536.34155	9.2
537.34418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71193	2.3
68.91090	2.1
69.03414	7.6
70.06577	13.4
73.02902	4.4
73.04739	6.1
79.05478	2.1
81.07043	2.8
81.77907	2.9
85.02905	11.8
86.09707	2.1
87.04457	6.2
91.05844	4.2
93.07033	3.5
95.08588	2.4
97.02875	7.7
99.04459	3.4
105.07008	14.1
105.71403	2.2
107.08583	5.8
109.06529	4.2
115.03898	6.7
119.08569	16.3
121.10098	3.5
123.08080	5.0
129.10242	2.1
131.08510	3.5
133.04984	9.1
133.06453	5.3
133.10109	5.6
145.04988	2.5
145.10110	17.3
147.07976	2.6
147.11673	27.9
149.09610	6.3
151.07477	5.3
156.09309	5.6
159.08099	2.6
161.09619	4.4
161.96312	2.4
167.05568	6.6
167.10745	3.7
171.11642	6.0
178.35794	2.1
189.12720	100.0
207.13777	24.4
225.14862	5.3
281.05304	2.3
283.02817	3.1
295.10013	2.7
299.06110	13.1
321.16885	3.4
327.93356	2.1
483.85611	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23235	2.0
50.86660	2.1
55.05504	2.5
57.03426	3.4
57.07053	2.0
57.26024	1.8
67.05498	2.3
69.03405	11.7
69.33585	10.7
70.06585	3.3
73.04748	14.1
81.07045	9.6
84.08140	6.0
85.02900	53.7
87.04455	6.5
91.05815	24.1
97.02892	12.1
99.04440	2.4
105.07030	12.9
107.08574	2.8
109.06474	2.8
109.10143	8.0
111.04439	2.3
115.03925	15.1
117.07023	2.7
119.08562	15.7
121.10113	5.8
123.11697	44.1
125.05984	3.8
129.10303	2.9
131.08594	2.3
133.04916	10.4
133.06494	5.9
137.05936	2.8
145.04933	2.5
145.10083	16.4
147.08029	2.3
147.11674	28.4
149.04491	3.7
149.09668	5.1
153.05453	2.1
156.09364	3.0
167.05533	29.3
167.06845	2.8
171.11649	4.9
174.10416	4.2
177.05473	6.2
189.07652	3.2
189.12729	100.0
190.12971	2.6
207.13773	53.5
223.06339	2.5
225.04329	6.7
225.14796	13.3
239.09521	6.3
266.99869	7.2
281.05136	5.9
283.03036	8.7
288.08572	3.9
289.09375	24.6
299.06122	57.6
299.09235	4.2
300.06403	3.4
344.97687	12.3
359.02762	6.1
415.03641	11.2
455.56839	2.5
503.10959	2.6
536.16632	3.6
537.17169	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	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87790	4.8
57.03431	10.2
58.02948	8.2
69.03410	12.6
69.82020	5.0
69.82365	16.5
70.06573	10.7
71.05001	7.0
71.19752	4.6
73.02898	10.3
73.04745	29.4
81.03403	6.2
81.07033	5.0
81.21222	4.8
83.92036	4.6
84.04475	5.7
85.02892	29.5
86.02433	5.6
86.09679	6.9
86.29487	5.4
89.16988	4.8
91.05858	30.1
97.02888	11.7
98.23396	5.2
100.04008	7.3
101.02362	11.2
105.07009	22.2
106.06538	5.6
107.04926	9.6
107.08601	5.6
107.16080	5.0
109.02859	6.4
111.04346	5.3
115.03940	6.7
117.03367	7.6
119.08556	15.1
120.08099	7.3
121.10135	7.9
128.03430	11.5
129.01830	7.7
131.07045	5.5
133.04994	11.7
133.06438	10.4
133.10072	8.4
134.05992	22.4
137.06024	7.4
145.02742	6.2
145.10101	18.6
146.04504	26.0
147.11665	23.3
148.07578	8.6
149.04408	9.5
149.09613	17.0
156.02898	5.4
160.06001	7.4
161.09595	14.7
163.11128	6.1
164.07060	5.3
167.05551	43.9
167.06931	7.3
167.10683	10.8
171.11636	7.1
174.03983	9.9
176.07111	5.6
177.05533	13.3
188.05498	16.2
189.12720	100.0
206.06598	16.3
207.13773	43.8
225.04234	6.5
225.14880	5.5
239.09525	7.2
249.05467	7.0
254.05635	21.6
266.99878	7.6
267.06558	32.5
283.03033	11.6
299.06128	66.1
331.49335	5.1
336.43045	5.9
344.97476	14.3
359.02969	6.1
415.03403	11.7
536.19067	6.4
536.31433	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	536.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06089	13.1
64.22251	2.7
67.05480	3.1
71.45012	3.0
73.04752	20.4
91.05804	44.7
99.60667	2.5
107.04919	3.9
125.00050	2.7
136.05136	5.3
148.05156	4.3
149.04463	9.7
151.07504	60.6
163.07486	4.3
163.65895	2.6
165.09052	6.2
166.06241	10.9
167.05521	59.7
167.06876	5.0
168.05862	2.6
176.29579	2.8
177.09068	6.0
181.08569	46.3
182.09021	4.5
184.07372	7.8
188.08261	3.2
195.10233	3.7
203.10645	8.0
216.11400	3.1
217.12202	7.5
223.06299	6.6
225.04312	11.0
239.09521	8.9
247.13235	7.4
266.99847	14.4
283.02908	18.7
285.00986	3.6
299.06131	100.0
300.06128	3.0
344.97623	20.4
345.97565	3.6
359.02841	8.9
370.17682	11.6
385.20047	54.6
415.03503	19.2
503.10620	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	536.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	24.8
56.90525	3.9
57.07069	14.0
61.02941	6.4
63.90870	4.0
67.05501	34.1
69.07063	43.2
69.88918	6.1
71.08627	11.8
73.04762	25.1
79.05477	12.6
81.07051	39.6
83.08604	29.4
85.02909	4.3
86.09702	23.0
91.05800	55.5
93.07031	13.9
95.08593	38.7
97.06493	4.9
97.10177	18.6
98.23492	4.8
104.10722	43.2
107.08579	16.7
109.10141	20.7
111.08079	4.5
111.11720	8.3
121.10120	23.5
123.11713	8.8
124.99976	11.9
135.11716	24.1
140.73108	4.4
149.13242	11.8
167.05521	62.7
184.07353	34.7
225.04271	15.5
239.09496	5.1
247.24196	24.6
250.91254	4.4
265.25195	70.0
266.99878	18.0
281.05054	5.7
283.03015	17.4
283.26328	12.6
299.06119	100.0
300.06216	8.3
339.28857	73.6
344.97601	21.0
357.30087	14.2
359.02768	12.3
359.45328	5.2
368.75571	5.2
415.03595	14.9
503.10217	5.0
536.36682	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	537.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66959	0.4
73.04762	0.4
79.05495	0.4
80.35445	0.3
88.61781	0.3
90.48569	0.3
91.05791	0.8
97.56315	0.3
103.05464	2.1
114.58767	0.2
123.04435	0.4
125.02104	0.8
131.04915	5.2
137.05942	1.9
147.04346	0.4
149.04504	0.2
150.99985	0.3
153.05179	0.4
160.40184	0.3
161.06017	0.3
163.07520	2.0
167.05566	1.0
167.06847	0.3
169.04741	0.6
174.80402	0.2
180.60228	0.3
187.07455	0.3
193.63824	0.3
203.03188	0.9
213.07300	2.3
255.08284	0.7
285.09360	0.5
297.09479	0.4
299.06137	1.2
300.06241	1.1
315.10629	0.4
341.12207	0.6
345.97583	0.4
357.11557	6.1
358.12143	0.3
375.21609	0.4
416.03833	0.4
442.54807	0.3
477.13647	1.6
518.62292	0.3
537.15735	100.0
538.16052	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	537.1786
Annotation	Ro 4927350
Peak:m/z	Relative Intensity
59.65933	0.3
69.03375	0.4
70.06561	0.6
73.04711	0.6
85.02872	0.5
85.41682	0.3
91.05802	0.5
135.11607	0.3
137.06009	1.0
153.05396	0.4
162.06210	0.4
167.05566	0.7
173.02904	0.5
203.05272	0.3
205.08562	0.4
213.07294	2.1
245.04910	0.4
245.06381	1.0
255.08403	1.0
275.07458	0.4
299.06152	1.2
300.06161	1.4
305.08380	5.3
329.08395	0.9
347.09467	4.3
357.13312	0.7
365.10504	0.5
375.12555	0.9
407.11487	0.3
416.03482	0.3
477.15765	1.4
519.16498	1.0
528.30609	0.4
537.17822	100.0
538.18195	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	537.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98363	0.4
69.03410	0.4
69.07065	0.4
69.83463	0.4
69.83791	0.9
73.04753	0.9
81.03396	0.5
81.07016	0.5
85.02892	0.7
87.52563	0.4
91.05803	1.4
93.46423	0.4
98.22686	0.5
107.08617	0.4
107.77667	0.4
123.11687	0.4
123.85047	0.4
125.02123	1.4
126.02816	0.5
131.04921	0.4
133.10144	0.4
137.05991	0.8
151.00084	0.6
153.05258	1.2
161.05989	0.6
167.05534	1.8
169.04721	1.8
177.09111	1.0
202.06061	1.3
213.07266	3.1
239.11960	0.4
255.08432	1.6
297.09348	1.0
299.06064	1.8
300.06232	1.6
313.12598	0.5
341.12228	1.6
357.11539	3.8
375.21445	0.9
407.13159	0.9
477.17212	2.1
537.19409	100.0
537.26776	7.4
538.19818	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	537.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90190	1.0
53.03944	1.0
55.01876	1.3
61.02903	1.3
65.03927	5.9
69.03429	2.3
70.06583	1.8
70.91280	1.1
70.91642	1.4
73.02904	1.8
73.04784	1.1
75.62844	0.9
76.02235	2.1
79.05479	1.3
81.03411	4.0
81.07050	1.6
84.04519	2.0
84.08141	1.3
85.02895	6.0
86.09679	2.9
89.03954	1.5
91.05801	2.2
92.04990	4.0
93.07025	2.3
94.06534	1.2
95.04951	2.5
95.07320	1.7
95.08585	1.5
96.08131	2.5
97.02868	3.6
103.05507	1.2
105.07016	2.2
108.08100	6.2
109.02865	1.7
110.09654	6.7
116.04971	3.6
120.04446	6.8
120.08070	4.1
122.06013	4.7
124.07579	3.1
125.29796	0.9
129.06975	1.2
131.04915	1.4
131.17052	1.0
133.10033	1.1
136.07568	7.8
137.05952	9.9
138.05463	1.6
138.09100	8.9
144.04453	8.5
147.04288	1.3
148.03912	100.0
148.07570	2.6
149.04399	1.3
151.03885	7.4
154.08688	2.1
162.05531	8.1
163.03923	4.1
166.04984	19.0
166.08624	19.7
167.05501	3.5
172.03915	37.8
179.04854	3.2
179.07007	2.3
180.05122	1.3
190.04950	10.0
203.07030	1.6
204.06534	82.0
205.06818	1.6
205.08569	3.6
212.09550	1.3
212.13577	1.2
222.07652	1.8
227.11652	2.1
237.45525	1.1
255.11227	16.2
255.13664	1.4
267.06488	1.8
273.12296	16.0
283.10785	18.3
284.02887	1.3
299.06134	2.9
300.06235	3.3
301.11777	75.1
301.56458	1.1
302.12286	1.4
308.09171	1.5
319.12878	3.8
325.11731	3.2
329.15060	2.5
334.08990	1.6
339.13071	1.5
339.62396	1.1
343.12845	51.8
344.13226	2.6
357.14316	14.4
375.15320	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	537.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22549	0.5
62.19836	0.4
67.05482	0.8
68.99789	0.5
71.04990	1.1
73.04743	1.4
79.05500	0.6
81.07049	0.8
83.01328	1.4
83.04977	0.7
91.05827	3.7
91.21979	0.5
93.07041	1.8
95.04948	0.6
95.08637	0.7
95.67252	0.5
100.76959	0.5
100.86043	0.6
105.07037	0.7
106.04153	0.6
107.08566	0.5
109.10163	2.6
121.06506	4.4
123.11698	1.2
130.57841	0.5
131.04900	2.0
133.02832	3.3
134.03586	0.7
135.11656	0.7
137.05948	0.9
147.04402	1.0
149.05977	2.8
153.12726	1.0
159.04434	0.6
162.03104	7.6
167.05562	4.4
177.05487	2.3
178.02594	2.2
190.02591	16.8
191.18539	0.5
193.04961	17.2
205.04953	100.0
206.05238	3.0
207.06509	1.2
219.06482	6.4
221.04416	0.8
233.08063	1.7
239.09476	0.7
245.08096	0.6
247.09692	2.8
259.09625	1.6
260.97485	0.5
261.11340	0.9
271.09686	1.6
275.12778	8.7
283.03036	0.7
297.79288	0.5
299.06165	4.6
300.06122	4.4
301.05920	0.7
327.15866	11.9
327.19583	1.0
334.86041	0.5
344.97565	1.0
345.16953	31.3
345.97604	1.2
346.17236	1.8
359.02966	0.5
405.65024	0.6
416.03540	1.0
498.75525	0.6
537.29376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
56.95798	1.0
73.04735	3.9
79.05501	2.5
81.07072	1.3
84.83266	1.2
91.05444	4.1
91.05838	3.3
94.04178	4.8
95.04960	1.9
98.23071	1.3
103.05470	2.0
105.07021	5.6
107.04926	1.3
109.06463	1.3
115.05450	3.2
119.04846	1.7
119.08572	3.0
121.06506	3.4
122.03617	7.0
128.06207	2.1
129.06963	3.1
131.04909	4.7
132.05711	3.8
133.02823	1.5
133.06480	2.8
135.04347	1.2
137.05960	100.0
138.06242	1.3
144.05679	1.2
145.06465	1.1
146.03520	1.6
147.04391	2.1
147.08026	3.7
149.04463	1.5
149.06007	2.2
151.03903	2.6
151.07555	2.2
157.06447	1.5
159.08066	1.5
160.05217	3.1
161.05966	12.9
161.31064	1.1
163.07512	1.7
165.05591	1.4
165.07022	4.0
166.07722	2.3
167.05547	5.1
167.06917	2.2
168.05472	1.3
174.06738	1.4
175.07521	28.5
177.06999	1.1
177.09001	1.0
178.07727	2.1
179.07019	3.0
179.08502	1.9
180.07817	2.4
187.07542	7.2
189.09032	2.5
190.07747	1.2
191.03247	1.8
191.06998	1.7
192.07719	1.8
193.06709	1.6
193.08577	5.5
194.07277	9.7
195.08023	1.3
199.07503	2.3
205.04825	1.6
205.06487	3.3
205.08485	1.6
206.07190	2.5
207.07982	1.1
208.08836	1.3
209.08034	2.3
210.06691	1.9
210.08626	1.3
211.07520	1.3
215.08606	1.2
219.08086	1.6
221.05925	2.8
222.06723	4.6
225.04346	1.1
225.09106	1.2
231.08101	1.6
233.05966	1.9
234.06702	1.7
237.09094	2.0
247.07394	1.2
248.08240	1.6
249.08986	3.0
250.06213	2.0
253.08575	1.5
254.09402	1.8
255.65063	1.2
261.09000	1.3
263.06851	1.3
265.08557	17.1
266.09106	1.5
267.10114	2.2
271.07285	1.1
275.10663	2.0
277.08563	4.1
279.06543	1.3
281.11780	1.2
283.02969	1.1
283.09592	3.3
284.03171	1.6
285.11188	10.1
291.10068	2.2
295.09705	2.8
297.11188	28.0
299.06165	6.9
300.06125	7.0
301.06024	1.7
303.10101	3.8
309.11121	4.9
321.11179	3.1
323.12766	4.1
335.12671	4.3
341.13910	2.6
353.13852	3.0
375.21487	2.9
416.03421	2.0
427.15198	2.6
439.14963	1.7
457.16238	2.5
459.17786	3.7
471.17960	4.4
477.17599	1.8
489.19141	1.4
526.50702	1.1
537.19257	27.8
537.26453	4.9
538.19659	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	537.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35242	1.4
70.04418	2.1
70.04745	3.6
73.04742	7.1
73.81762	1.7
91.05785	12.3
92.05688	1.6
98.23441	1.9
127.43298	1.7
128.35704	1.6
131.96640	1.7
149.04503	2.8
167.05515	14.2
168.05579	5.0
225.04193	2.4
237.31711	1.6
261.14624	3.9
266.99979	2.6
284.03058	3.5
299.07343	49.2
300.06152	19.2
338.63455	1.7
345.97760	3.8
359.02185	2.0
360.03070	2.1
394.19543	1.6
416.03693	2.2
490.78012	1.7
493.23895	3.6
537.22876	100.0
538.23340	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	537.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94232	0.7
54.00731	0.7
69.19299	3.9
73.04746	2.9
80.68481	0.7
91.05801	5.8
121.10136	0.6
134.05170	0.8
149.04518	0.9
167.05508	8.2
168.05577	2.0
225.04301	0.9
266.99899	1.0
267.99786	1.0
283.02841	1.1
284.03073	0.9
299.07346	56.1
300.06082	7.6
301.05856	1.2
335.09222	0.9
344.97556	1.3
345.97495	1.9
360.02716	0.9
416.03510	2.5
417.03662	0.7
493.23798	3.6
537.22864	100.0
538.23450	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	537.3028
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
55.62432	0.6
67.56306	0.5
73.04745	0.8
91.05779	2.7
104.28903	0.6
104.91125	0.6
119.20061	0.6
149.49274	0.6
167.05563	4.1
168.05598	1.1
173.50534	0.6
186.62332	0.6
239.09502	1.3
264.11624	0.6
266.99902	0.8
299.06168	5.0
300.06116	3.1
345.97464	1.4
416.03647	1.1
537.30219	100.0
538.30475	4.7
549.80121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91184	0.6
53.03933	1.1
55.01857	2.5
55.05508	4.6
57.03425	2.5
61.02908	2.0
67.05476	1.4
68.51661	0.7
68.73176	0.7
69.03415	7.2
69.07039	1.1
69.41674	2.1
71.04968	1.1
73.02906	8.1
79.05482	1.7
81.07037	2.8
83.04970	3.6
83.08623	3.4
85.02892	13.0
87.04431	1.2
91.05459	4.7
93.07021	3.2
94.04163	2.8
95.04963	4.1
95.08581	1.4
97.02876	9.0
97.06525	3.6
97.10183	0.9
98.49274	0.7
99.04428	1.9
103.05440	2.6
105.07009	7.3
107.04943	1.5
107.08585	3.4
109.02843	1.3
109.06493	7.4
109.10137	2.8
111.08047	1.7
112.47945	0.7
115.03922	2.5
115.05450	2.7
115.07522	1.5
117.06995	1.6
119.08560	2.9
121.06496	2.1
121.10151	3.7
122.03638	5.2
122.52923	0.7
123.08047	1.3
123.11711	1.7
125.09625	1.2
127.03890	3.8
129.07008	1.8
131.04958	1.2
131.08536	1.3
132.05699	1.2
133.04953	2.6
133.06453	3.0
133.10101	6.6
135.08043	1.4
135.11670	0.9
137.05957	100.0
138.06284	1.3
139.11086	0.8
143.04901	1.1
145.04950	2.4
145.06494	3.1
147.04375	1.4
147.08011	1.3
147.11647	4.4
149.05940	4.6
149.13249	1.4
151.04176	0.7
151.11183	4.7
153.09076	3.0
159.08003	1.8
160.05125	1.6
161.05957	16.3
162.06734	2.4
163.06010	1.5
163.07524	1.1
163.14830	1.2
165.12698	0.9
167.14336	4.7
173.05975	0.9
173.13251	4.7
175.07523	26.5
177.09116	1.0
179.07034	0.8
187.07526	6.7
190.07719	1.3
191.08539	4.5
191.14313	6.7
193.08527	5.2
199.07564	2.5
203.08543	2.3
205.06859	0.7
205.08575	3.1
207.07994	1.2
209.15331	30.3
218.07233	1.8
219.08040	7.9
220.08751	1.0
225.14951	1.0
227.16373	19.0
231.08089	2.6
232.08792	0.8
235.07484	0.9
236.08437	1.2
247.07465	3.7
248.08372	1.4
251.10625	10.8
253.08656	1.2
259.07733	2.1
260.08200	0.8
263.10721	1.3
269.11667	0.9
274.83255	0.8
276.07782	0.8
277.08740	0.8
279.10126	10.7
280.10791	0.8
281.07962	1.1
291.10071	4.2
292.10962	1.2
309.11353	1.2
311.12714	22.3
311.16333	1.2
312.13168	1.3
323.12689	8.8
324.12766	0.8
329.13834	3.8
341.13779	8.5
358.48718	0.8
359.14969	0.7
379.37552	0.7
385.14462	0.9
417.09775	0.7
506.19101	0.9
548.32324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31272	0.6
55.01854	1.2
55.05499	1.2
57.03418	0.8
61.02913	1.2
65.03918	1.3
67.05490	1.0
69.03418	2.9
69.39584	2.8
70.06572	2.0
71.05008	0.7
73.02918	1.5
73.04755	0.8
79.05460	1.2
81.03378	1.5
81.07040	1.8
81.40151	0.6
84.85094	0.7
85.02898	8.2
91.05450	1.8
94.04170	1.5
95.04932	0.8
95.08599	1.7
97.02868	3.1
99.04420	0.8
100.11201	0.9
103.05425	1.2
105.07007	1.1
107.08565	1.6
109.06480	1.6
109.10117	2.0
111.04426	1.2
115.05441	5.5
116.21671	0.7
117.06995	2.3
120.08067	0.7
121.10117	0.9
122.03632	3.0
123.04349	0.9
125.06002	1.4
125.09612	0.9
127.03915	1.9
127.44943	0.7
128.06200	1.5
129.06987	5.4
131.04924	4.0
133.04846	1.0
133.10060	1.1
137.05962	80.9
142.08621	0.9
143.04907	10.2
144.05653	1.8
145.04941	1.8
145.06494	1.4
151.07562	0.8
151.98329	0.8
153.05455	3.3
157.06491	5.8
160.05174	12.8
161.06053	3.5
163.07492	1.9
163.14813	0.8
167.05695	1.2
172.05211	2.1
172.84319	0.8
173.06015	1.3
174.06781	2.9
175.07526	100.0
176.07841	2.4
177.09178	0.8
179.14328	0.8
180.08589	1.3
187.07513	34.3
189.09065	7.1
205.06638	1.4
205.08574	21.7
206.08929	1.0
209.15297	4.5
211.07501	1.1
217.08583	3.9
227.16278	1.4
231.07986	2.2
235.07315	1.2
235.09628	17.3
239.07097	1.0
247.07504	1.6
248.08264	0.8
253.08685	1.1
259.07581	0.9
263.10596	3.4
264.07571	0.8
270.08887	1.9
271.09674	3.9
279.09979	1.6
283.09579	1.2
285.11169	1.3
291.10178	4.9
301.06155	1.0
311.12830	4.3
323.12787	5.0
341.13812	7.5
442.52924	1.0
538.27228	0.8
539.28235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30998	0.8
52.21747	1.0
57.03425	1.0
61.69018	1.0
67.05512	1.3
69.03419	2.2
71.44164	1.0
73.04736	2.4
79.05471	2.0
85.02898	5.4
91.05485	3.9
93.07048	1.5
95.04957	1.8
95.28163	0.9
97.02855	2.4
103.05468	7.9
104.53893	1.1
107.04917	1.6
107.08568	1.3
115.05512	1.0
116.08125	1.0
116.08894	1.0
117.06989	2.1
119.04937	4.7
121.06468	1.6
121.10123	1.0
129.06973	2.1
131.04930	13.4
133.06468	1.1
135.04396	31.4
135.08017	1.6
137.05963	7.7
145.06470	1.9
147.04449	1.0
149.05960	28.0
151.07516	7.8
157.06476	3.0
159.04420	5.3
161.05951	49.5
162.06650	2.3
163.07491	5.0
165.06950	1.7
167.05571	2.5
167.08545	4.4
173.06009	1.2
174.06754	1.2
175.07552	4.6
177.09084	100.0
178.09415	1.9
187.07588	1.4
189.09099	5.6
193.10213	2.0
195.08049	9.1
195.10112	4.7
196.57292	1.0
203.08620	1.0
207.10094	1.7
210.06682	1.6
221.05978	1.9
221.09578	4.8
221.11702	15.1
221.76964	1.2
222.12125	1.4
223.07516	4.0
225.09019	9.5
227.02086	0.9
227.10635	3.9
227.16347	1.0
228.17493	2.7
235.07439	1.6
238.06454	1.1
249.09143	2.5
251.06978	5.2
251.10602	6.4
253.08606	9.3
255.10179	6.0
259.99637	1.2
265.08521	2.0
279.10132	2.4
282.08817	1.9
283.09589	10.3
285.11157	40.6
286.11450	1.4
297.11166	1.5
299.06204	2.9
299.12628	1.3
300.06018	2.0
301.05835	4.2
311.12729	17.2
329.13788	60.6
330.14124	1.6
341.13916	3.9
346.97372	1.6
377.22983	2.5
506.19394	1.2
538.27637	2.9
539.27753	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
55.05497	1.5
57.03428	2.4
61.02624	0.7
61.02924	1.8
62.72128	0.7
65.03911	1.0
65.81962	0.8
66.61269	0.7
67.05509	1.8
69.03412	5.4
69.07053	2.4
70.06588	1.6
70.94406	1.3
71.04983	2.3
73.02908	5.3
73.04753	2.1
79.05481	3.3
81.03411	2.9
81.07036	6.1
82.61398	0.7
83.04979	1.4
83.08610	0.7
85.02893	14.0
85.06528	1.3
86.09680	0.9
91.03957	1.0
91.05455	2.2
93.07052	5.1
94.04210	1.3
95.04962	1.4
95.08584	3.9
95.67356	0.7
96.08056	1.1
97.02886	6.9
97.06526	1.2
99.04446	3.6
100.11227	1.6
101.06021	0.9
103.05449	1.9
105.07023	3.9
107.04932	0.9
107.08575	7.2
108.08076	1.4
109.02866	1.8
109.06505	3.1
109.10138	2.6
111.04440	2.7
115.03902	1.8
115.05431	5.7
117.07030	2.6
119.08591	2.5
120.08111	1.8
121.06506	1.2
121.10148	5.4
122.03629	3.4
122.05933	0.9
123.08082	1.1
123.11678	1.7
125.05975	2.1
127.03871	4.8
128.06219	0.9
129.06984	5.6
131.04895	3.3
131.08554	1.5
133.04962	2.1
133.10086	2.3
135.08041	1.1
135.11664	2.2
137.05959	81.4
138.09117	1.8
141.06839	0.8
143.04916	10.2
144.05704	1.3
145.04953	3.1
145.06506	1.6
145.10110	1.6
147.11670	1.4
149.05994	0.8
149.09628	1.1
149.13264	1.5
151.07567	1.7
151.11163	1.0
153.05424	2.3
157.06453	6.0
160.03859	0.9
160.05183	15.9
161.05983	2.6
161.13245	2.2
163.06049	1.1
163.07527	3.4
163.11188	3.1
163.14839	1.8
166.08603	4.2
167.05562	2.2
167.10635	1.6
169.08594	2.5
172.03897	1.6
172.05182	2.2
173.13197	1.5
174.06839	1.5
175.07523	100.0
176.07874	1.5
177.09148	1.2
179.12955	0.8
179.14262	4.5
180.08647	1.2
181.12292	1.3
187.07518	33.2
189.09116	7.8
191.10623	1.1
191.14301	6.9
197.15388	2.2
203.08627	1.1
204.06671	0.8
205.08578	21.9
209.11691	2.2
209.15344	11.8
211.07489	1.3
217.08688	3.9
219.07951	1.6
227.12782	4.5
227.16451	4.9
231.08063	2.6
233.06319	0.9
235.07304	1.7
235.09596	21.3
239.07086	1.3
247.07420	1.8
248.08333	1.7
251.10706	1.2
255.06453	1.6
259.07739	1.2
261.08926	1.0
263.10687	1.8
270.08899	1.4
271.09592	3.8
276.07889	1.2
279.10358	2.5
283.09500	1.1
291.10190	5.6
299.06195	2.5
300.06262	1.1
301.05899	2.7
308.10608	0.8
309.11560	1.0
311.12860	2.4
323.12625	6.1
325.11710	0.9
335.09708	1.2
341.13965	7.2
353.11185	1.6
446.25793	0.9
450.21729	1.0
474.48544	0.9
495.34985	1.3
506.19153	2.8
538.27905	1.3
539.20746	7.4
539.28070	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47824	1.0
63.96577	1.1
69.07062	6.5
69.60072	2.4
69.60468	2.4
70.07328	1.0
73.04745	1.1
75.85672	1.0
82.96902	1.0
86.09698	1.3
90.05090	1.0
91.05776	4.9
93.07022	1.1
99.80106	1.0
121.06489	3.9
122.03647	1.1
131.04906	1.4
131.11322	1.0
133.02844	11.6
137.05965	2.1
144.05597	1.1
149.05930	1.9
151.03809	0.9
162.03113	7.5
165.05460	1.6
167.05513	3.9
169.05176	1.3
177.05411	4.2
178.02580	5.6
178.17641	1.0
189.05441	2.5
190.00967	1.8
190.02579	15.3
193.04948	60.9
194.05247	1.9
205.04941	100.0
206.05367	2.4
217.04912	5.4
219.06433	5.0
225.04178	1.3
231.06445	1.6
242.65761	1.1
245.04350	2.2
259.09589	2.4
261.11182	31.0
262.11639	1.3
268.99753	1.6
273.11227	11.6
289.10681	1.2
299.06223	5.6
300.06323	2.3
301.05838	7.1
309.07681	2.0
320.06659	1.4
325.06851	1.2
329.17377	3.2
337.06958	3.3
346.97565	1.9
351.08545	5.3
353.10165	3.1
357.09430	1.3
369.09665	4.1
379.08060	4.1
393.13309	3.3
397.08969	7.3
417.03278	1.8
425.02292	1.2
425.15790	5.4
435.14078	1.4
453.15530	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	538.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33171	0.7
59.51393	0.8
69.07058	8.1
69.37805	3.2
73.04713	1.1
75.56109	0.7
86.09685	1.0
91.05807	1.5
97.02841	1.0
111.04436	2.3
113.36812	0.8
125.02348	8.8
133.02815	6.6
134.03621	2.0
137.05971	1.8
139.03891	4.4
140.04660	21.8
147.04378	0.9
149.05974	1.2
153.05434	5.4
159.04424	0.9
161.05891	1.2
162.01826	1.5
162.03098	15.1
163.03961	0.7
165.05530	1.7
165.06999	2.6
167.03387	6.6
167.05579	2.0
172.30359	0.8
177.05447	25.9
178.02563	3.3
180.70981	0.8
181.06479	0.9
190.02542	1.5
191.03403	1.1
193.04936	30.8
193.06447	2.3
203.03403	2.4
205.04932	100.0
206.05313	2.8
209.06105	1.1
210.06714	1.4
213.05441	1.2
217.04848	4.3
218.05675	0.9
221.05975	17.7
226.06219	1.6
227.07016	1.3
231.06409	1.9
235.07487	0.9
236.04668	1.4
237.05521	5.1
238.06139	3.2
240.04240	0.8
245.04398	2.1
246.08777	0.8
249.05440	9.5
250.06076	2.2
251.07077	0.9
253.08675	2.3
254.05652	2.3
255.06502	2.5
261.08340	1.5
261.11191	31.3
263.07059	1.4
264.04102	1.8
265.04901	10.2
266.05637	3.1
269.04813	0.7
269.08032	3.4
273.11121	3.8
279.06439	3.8
281.04745	1.2
281.08051	2.9
282.05142	3.2
283.05829	2.3
292.03528	1.0
293.04398	5.6
294.05112	0.8
296.06479	1.0
297.07501	19.0
298.04803	1.0
299.06085	1.8
300.06137	1.4
301.05884	2.5
307.05997	3.6
308.06754	1.5
309.03683	1.0
310.04660	5.8
311.05490	1.6
311.08841	1.1
313.07016	1.7
314.95001	0.8
324.06277	2.6
325.07028	37.7
326.07660	3.8
329.10156	1.2
339.08655	6.0
341.06485	1.2
341.10095	1.0
342.07263	1.8
353.06277	1.1
357.09634	57.6
358.09863	1.5
367.08014	2.1
370.06915	1.0
385.09097	32.5
386.09341	1.0
393.13211	2.9
409.16684	1.0
417.03336	1.7
425.15689	3.5
453.15393	1.0
537.30194	3.5
538.23114	2.0
538.30585	23.4
538.38788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73155	0.6
55.01855	0.6
55.05498	1.1
57.03428	7.4
57.07061	1.7
58.95083	0.7
59.04995	1.3
60.04507	0.6
61.14171	0.5
67.05495	4.6
69.03424	23.3
69.07057	1.2
69.78401	2.1
71.04986	5.1
75.04462	0.9
79.05476	5.4
81.03419	0.5
81.07052	1.1
83.04958	2.4
85.02900	15.1
85.06532	38.2
87.03960	1.2
87.04459	13.3
87.18140	0.6
91.05470	4.4
93.07037	5.4
95.04947	2.4
97.02882	16.6
97.06518	1.0
98.23466	0.7
99.04426	0.8
99.08088	2.3
105.07021	5.5
107.04931	2.7
107.08586	6.7
109.02920	0.7
109.06493	1.6
111.04433	4.2
115.03928	18.0
117.07022	1.4
119.08560	5.4
121.06504	4.4
121.10143	5.6
123.07987	0.7
125.05984	2.3
127.03871	1.4
129.07021	1.4
131.08553	21.8
133.04953	16.3
133.10068	0.7
135.11656	2.4
137.05948	1.0
137.09592	2.0
139.03889	0.9
145.04964	2.0
145.06470	0.6
145.10097	10.6
147.08047	1.2
149.05945	0.6
149.09612	22.2
150.07561	4.1
153.05406	1.6
155.06973	0.8
163.07480	1.2
163.11169	6.7
165.09053	4.3
167.10655	11.8
167.72983	0.7
169.04994	0.8
173.09642	2.3
191.10641	26.1
191.14267	0.9
197.11684	1.2
209.11710	36.9
227.12749	100.0
228.13065	1.8
259.08038	1.0
276.03845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84151	0.7
57.03428	6.7
57.07062	1.2
59.04998	1.2
60.04492	1.0
64.98014	0.6
67.05483	5.4
69.03417	18.4
69.97753	1.9
70.71635	0.6
71.04980	5.1
73.02894	0.9
79.05482	5.3
81.03392	1.1
81.07034	0.8
83.04964	2.3
85.02888	12.4
85.06526	32.1
87.04443	11.2
88.53786	0.6
91.05441	4.0
92.98276	0.7
93.07029	4.4
95.04945	1.5
97.02879	15.3
97.06513	1.3
97.81934	0.7
99.04446	1.0
99.08070	2.0
102.23608	0.7
105.07010	4.8
107.04935	2.4
107.08576	7.3
109.06478	1.4
111.04439	3.5
115.03912	14.6
117.06992	1.7
119.08551	5.0
121.06498	3.8
121.10128	5.4
123.04386	1.0
125.05943	2.1
127.03875	1.1
129.06963	3.1
131.08539	17.4
133.04939	15.2
133.10158	0.9
135.08012	0.8
135.11652	2.1
137.09589	3.2
139.03944	0.8
145.04907	1.9
145.10103	9.0
147.07974	1.5
149.05931	1.1
149.09589	18.2
150.07565	2.8
153.05460	0.8
154.98492	0.7
155.07045	0.9
163.05927	1.1
163.11156	6.1
165.09091	3.1
167.10657	10.5
173.09593	2.1
179.10570	0.9
191.10626	21.6
209.11673	31.9
210.12119	1.1
227.12727	100.0
228.13086	1.7
259.07977	0.9
277.08878	0.7
453.21643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
55.05514	9.0
57.03436	17.0
57.07066	6.0
58.06597	2.9
59.05000	2.6
60.21893	1.8
61.02925	2.7
67.05519	4.6
69.03429	42.0
69.07068	9.1
70.06584	12.7
71.01350	2.7
71.04996	8.6
71.30286	2.6
72.08114	2.3
73.02917	21.4
73.04748	5.0
75.04481	2.1
79.05486	8.0
81.03384	3.4
81.07050	11.3
82.30844	1.7
83.04979	6.5
83.08608	6.3
84.08127	3.3
85.02898	39.6
85.06537	3.3
86.09691	5.6
87.04465	15.8
88.65907	1.9
91.05437	6.6
91.05878	2.9
93.07044	11.8
93.86166	1.8
95.04964	56.5
95.08598	6.5
97.02893	32.9
97.06532	19.2
99.04445	18.1
99.08102	3.0
105.07030	20.5
107.04955	9.8
107.08583	21.1
109.02894	3.1
109.06516	33.7
109.10136	17.4
111.08073	4.4
115.03928	24.8
115.05428	2.4
119.08585	9.5
119.31407	1.6
121.10135	19.4
123.08024	8.5
123.11708	4.2
125.09598	2.5
127.03896	6.5
131.08548	11.7
133.04950	19.5
133.10120	61.3
135.08076	9.7
135.11665	8.1
136.07579	4.6
137.05966	4.3
139.10162	3.3
139.11171	48.1
145.04951	6.2
145.10127	9.9
147.11681	17.8
149.05928	2.4
149.09666	2.9
149.13306	11.4
151.03839	2.7
151.11168	4.5
153.09103	40.0
158.10905	4.8
163.03894	2.8
163.07484	4.6
163.14809	4.0
165.12784	7.1
167.05562	6.8
167.06912	4.1
167.14299	3.0
169.05211	2.2
173.13237	29.3
191.12544	3.0
191.14297	62.7
192.34622	2.2
195.10167	27.4
209.15364	100.0
210.15675	3.4
227.12743	4.3
227.16418	70.7
229.11829	7.6
255.03047	2.0
299.06122	9.6
300.06259	4.9
301.05975	8.0
346.97189	2.7
417.03040	2.3
538.17438	3.1
558.29218	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	538.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01850	2.9
55.05503	18.3
57.03436	4.5
57.07054	0.9
58.06585	6.4
59.04979	0.9
61.02926	3.1
66.92758	0.6
67.05482	2.5
69.03417	12.4
69.07050	1.5
69.19558	3.6
71.01340	1.2
71.04967	2.2
73.02906	19.7
73.04726	0.9
78.83229	0.6
79.05485	2.4
81.03407	1.8
81.07056	4.9
83.04968	18.4
83.08603	13.1
85.02895	19.7
85.06537	0.9
87.04440	1.6
91.05460	2.1
93.07030	4.6
95.04948	4.5
95.08586	3.1
97.02880	12.3
97.06514	3.3
97.10151	2.3
99.04429	2.1
103.03948	1.0
105.07020	3.8
107.04895	0.8
107.08575	11.2
109.02861	1.4
109.06491	3.6
109.10138	8.2
111.04430	0.9
111.07381	0.7
111.08065	3.6
115.03920	5.6
119.08543	2.6
121.06511	0.9
121.10123	4.3
123.11678	3.3
125.09612	5.5
127.03905	5.6
131.08545	1.4
133.04944	5.4
133.10091	4.1
135.08025	5.1
135.11647	1.4
137.05934	1.8
137.09621	0.8
139.11209	1.6
144.04376	0.6
144.06502	0.9
145.04959	5.9
145.10068	4.1
147.11642	1.9
148.03917	2.6
149.04272	0.9
149.09575	1.7
149.13239	2.6
150.07610	1.1
150.68800	0.7
151.03934	0.7
151.11160	24.7
153.09094	2.0
155.06985	1.0
163.05983	3.3
163.11118	4.5
166.08601	1.2
167.05534	0.8
167.14288	26.4
169.12233	1.1
172.03886	1.3
173.08070	1.3
173.09566	0.8
173.13211	1.4
175.14796	1.3
181.12195	2.2
191.10605	4.8
191.14261	4.1
204.06526	2.8
205.06827	2.3
209.15335	100.0
210.15694	1.7
219.50800	0.7
223.06041	1.5
227.12747	1.0
227.16386	3.5
237.09079	0.7
241.07043	1.8
256.11374	0.8
259.08163	3.9
265.08331	0.8
276.57608	0.7
295.10175	2.8
297.11203	1.1
301.05914	1.4
301.11798	1.5
302.12167	2.0
311.82550	0.7
323.11118	1.8
341.12180	2.0
341.19568	3.0
343.12643	0.9
344.13065	1.4
394.46948	0.7
538.24390	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	538.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47216	0.6
53.03935	1.1
55.01860	2.2
55.05495	0.8
57.03429	7.7
58.06591	1.2
59.04980	1.5
61.02921	4.7
65.03924	0.7
67.05490	1.9
69.03421	15.1
69.07034	1.4
70.06573	1.2
71.01349	1.6
71.04967	2.3
72.30566	0.6
73.02911	23.8
73.04752	1.3
79.05479	1.8
81.03409	2.6
81.07051	3.2
83.04970	1.7
83.08613	1.0
84.08111	0.9
85.02892	25.3
85.06535	0.8
86.03281	0.6
86.09689	1.1
87.04459	2.5
89.06022	1.7
91.05373	1.0
91.05855	1.2
93.07038	4.9
93.57452	0.6
95.04943	3.3
95.08598	4.3
97.02885	21.0
97.06503	2.6
99.04431	2.1
103.03958	1.6
103.05457	0.7
105.07012	7.4
105.74194	0.7
107.04942	1.0
107.08580	9.0
109.02872	2.7
109.06531	3.0
109.10146	6.9
111.08081	1.3
115.03923	10.4
115.07519	0.7
119.04899	0.8
119.08569	4.1
120.08084	1.6
121.06502	1.1
121.10133	52.6
122.10487	0.8
123.04424	0.8
123.08052	1.8
123.11685	3.5
125.09577	1.1
127.03900	8.9
131.04875	0.7
131.08534	2.7
132.00487	0.6
133.04950	11.3
133.07568	0.8
133.10114	6.5
135.08031	2.2
135.11664	2.3
137.05968	3.2
137.09616	3.7
139.11153	2.8
140.30681	0.6
140.42773	0.7
145.04951	10.6
145.10098	2.0
147.11691	5.7
149.09579	1.4
149.13252	3.6
151.03911	2.4
151.11174	4.2
153.09071	3.5
158.10927	1.0
163.03937	0.9
163.05995	4.3
163.11179	1.5
163.14824	3.4
164.07005	0.8
165.12688	1.0
167.05524	1.8
169.12151	3.4
173.13252	10.5
191.10632	1.4
191.14290	23.4
193.04875	0.9
209.15341	20.3
210.07596	0.9
217.07091	0.8
223.06030	1.8
225.04291	0.7
227.16386	100.0
228.16721	2.9
241.07048	2.5
259.08112	4.3
277.09149	1.1
295.10172	2.0
299.06076	3.3
300.05920	0.8
301.05850	3.3
305.10297	0.6
314.68234	0.7
323.18588	2.0
341.19516	1.5
538.18652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47877	5.6
55.05503	18.1
57.03437	13.4
57.07070	15.8
67.05489	8.8
69.03423	17.3
69.07056	74.9
70.06586	32.0
71.04978	68.1
71.44173	7.5
73.02896	7.0
73.04747	9.0
79.05482	11.1
81.03404	7.4
81.07062	18.0
83.04497	5.7
83.04945	35.1
85.02898	100.0
86.32576	6.3
86.86408	5.3
91.05788	14.2
93.07053	13.5
95.05001	6.4
95.08604	24.4
97.02888	11.8
97.06516	7.8
97.10164	17.9
105.07009	11.4
107.08588	20.9
109.02880	6.9
109.10166	13.3
111.04430	60.6
111.08067	7.4
111.11730	17.6
115.03915	7.2
118.81121	5.5
121.06464	7.0
121.10151	23.8
125.09621	16.5
127.03909	6.6
129.05463	38.1
135.11728	12.2
137.05965	18.4
139.11165	24.0
143.10686	7.0
144.93188	5.7
145.04965	9.6
145.10213	8.0
147.06538	19.7
149.09610	6.7
149.13231	12.6
152.07082	10.1
163.11166	10.4
165.12714	9.3
166.08678	8.2
167.05551	23.5
169.08571	6.6
169.13368	9.2
173.13258	8.7
174.09810	5.3
175.07562	7.3
177.16377	24.0
178.04999	26.5
191.10741	10.0
191.14319	21.9
195.17375	50.8
196.17822	7.0
197.12784	14.3
206.04462	49.5
209.11748	10.0
209.15393	21.0
213.18442	94.7
227.12756	14.0
227.16431	20.8
229.15408	12.3
260.07077	6.4
299.06085	16.0
300.06210	7.2
301.05923	22.9
310.20972	7.8
417.03363	7.3
426.06787	6.8
539.20807	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	539.137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61523	0.5
55.57285	0.4
56.96564	1.1
57.28584	0.5
60.24228	0.5
63.49419	0.5
69.77924	1.2
82.14551	0.5
84.96049	0.5
98.97590	2.3
116.98611	0.7
121.71806	0.5
128.98627	0.9
158.99684	0.6
161.01241	0.8
163.03818	0.6
173.01266	0.8
177.00969	0.6
183.01360	0.5
190.95470	0.6
191.02319	0.6
213.50534	0.5
214.95346	0.6
219.01779	2.2
232.96577	0.9
237.02774	2.9
248.90109	0.5
263.04379	1.7
274.97644	0.7
277.01050	0.6
281.05319	4.3
286.97223	0.5
316.98767	0.7
323.06451	4.3
416.99210	0.7
459.00903	0.6
497.01547	1.9
498.01477	0.6
539.13654	100.0
540.13800	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	539.1523
Annotation	Didmolamide A
Peak:m/z	Relative Intensity
55.05505	3.3
56.49486	2.5
63.51859	2.4
67.05497	4.4
69.03430	2.9
73.04755	2.8
81.07039	4.0
85.02920	3.5
89.16695	2.5
95.08602	4.0
97.02888	3.1
105.07019	5.1
105.24249	2.6
109.10186	3.0
121.10091	5.0
147.11742	2.9
163.03972	3.1
203.05374	3.0
245.07851	19.2
299.06323	3.2
300.06268	3.4
317.08380	26.1
377.23022	12.9
521.26715	3.0
524.86597	3.1
539.15405	100.0
539.27808	65.0
540.15741	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	539.2094
Annotation	Briarlide C
Peak:m/z	Relative Intensity
55.05498	0.4
67.05498	0.4
72.50727	0.3
73.04765	0.3
86.30091	0.3
91.05480	0.5
98.22632	0.7
100.11240	0.6
107.08612	0.4
109.02821	0.3
118.69252	0.3
121.06499	0.4
121.10137	0.3
125.02106	1.0
126.02880	0.5
131.04903	0.4
134.15627	0.3
137.05972	3.5
149.05956	0.5
151.07597	0.3
153.05331	1.3
161.05951	0.7
167.05568	0.5
167.06950	0.6
168.07651	0.3
169.04781	1.1
175.07610	0.4
177.05476	0.3
187.04033	0.3
193.04984	0.4
203.06982	0.4
204.07532	0.8
205.03262	0.3
205.04927	1.7
213.05545	0.6
213.07339	3.6
222.18594	0.3
252.07747	0.3
254.82870	0.3
255.08424	1.1
285.11292	0.6
297.09274	0.6
300.43292	0.3
341.12195	1.4
357.11487	4.0
367.13974	0.6
409.14685	0.6
453.82776	0.3
479.18683	3.7
521.30762	0.9
539.20959	100.0
540.21326	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	539.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04821	3.4
54.33792	3.1
79.05495	6.9
91.05460	11.5
93.07044	5.0
95.04964	5.6
103.05452	15.0
104.06206	4.6
105.07001	16.4
107.04957	9.3
107.08585	4.8
109.10165	7.9
119.04928	3.9
121.06516	10.0
121.70749	3.3
131.04922	36.3
132.05685	31.7
133.02827	9.2
133.06468	15.5
135.04399	6.2
137.05913	4.2
147.04422	8.2
149.05972	15.6
153.12758	5.5
154.06274	6.9
159.04353	4.1
160.05214	16.4
161.05954	36.6
163.03879	16.1
165.05463	11.7
167.06999	52.8
175.03815	4.9
177.05447	24.7
178.06230	5.3
179.07019	6.6
180.07768	25.4
182.09392	16.0
189.05469	6.8
190.06210	7.9
191.03362	57.4
191.07010	30.3
192.04025	3.9
192.07779	100.0
193.08563	38.9
203.03348	8.8
205.04898	11.3
209.06233	5.0
209.07999	21.0
210.08855	21.6
215.01505	3.7
215.03400	14.1
215.06892	3.3
217.04987	5.2
229.04733	4.2
231.06468	6.1
241.08510	4.7
243.06503	8.2
246.06873	3.7
247.07523	4.3
257.08170	3.7
259.09619	44.2
261.05426	5.7
263.07034	6.4
278.05811	7.6
289.04898	10.2
291.06433	8.9
299.06119	4.9
300.06277	3.9
301.06091	4.4
302.06244	4.8
311.12704	13.1
321.07742	4.2
322.15591	3.8
329.13812	25.7
349.06924	11.6
351.08609	5.8
369.09692	41.8
374.84268	3.6
381.09644	35.0
399.10715	69.6
439.17703	3.8
491.20514	5.3
509.21597	27.8
521.21613	5.8
539.22577	16.4
539.30353	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	539.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18990	6.8
69.19390	4.0
70.06599	2.2
73.04737	1.9
79.05486	5.2
81.07050	2.0
91.05442	12.9
93.07011	3.8
94.04181	5.2
95.04967	3.0
103.05467	2.9
105.07015	5.2
107.04932	5.6
107.08574	2.5
109.06527	4.0
110.09698	1.7
115.05462	5.9
117.07030	4.7
119.04930	8.0
120.08117	2.2
121.06506	5.8
121.10171	1.9
122.03594	8.4
123.08056	3.8
128.06163	3.2
129.06987	6.6
131.04958	8.1
132.05666	2.1
133.06485	5.0
135.08032	3.9
137.05962	100.0
138.06348	2.2
143.04913	2.2
145.06409	3.0
146.03633	3.1
146.07181	1.8
147.04364	3.4
147.08038	2.6
149.05988	4.8
151.03914	5.5
151.07533	44.2
152.03154	2.5
152.06189	2.6
153.05434	2.4
157.06473	3.9
159.92839	1.5
160.05182	2.9
161.05963	41.0
161.09586	3.9
163.07523	12.5
165.06989	3.4
165.09117	4.1
166.08672	4.0
167.05659	2.4
167.07068	4.8
168.05623	1.9
169.05589	2.0
174.06732	4.6
175.07538	32.5
176.08055	2.6
177.09113	7.0
189.09082	19.2
190.00282	3.1
191.07129	2.7
193.06468	1.9
194.07268	5.0
194.30794	1.9
195.08182	4.0
195.10155	18.7
199.07715	1.7
201.09111	2.3
205.06506	6.1
205.08559	2.2
207.08226	2.2
207.10161	5.6
209.09621	2.8
210.06676	3.1
211.07616	4.2
219.08093	2.9
219.10112	4.4
220.08754	3.2
221.05971	4.4
222.06712	3.6
223.07530	2.8
224.08255	2.3
225.09128	5.4
227.07045	1.8
233.05920	2.3
234.06718	3.7
235.07478	4.4
236.08255	2.9
237.09149	4.5
239.06937	2.5
247.07483	1.8
248.08380	1.9
249.09068	8.1
250.06332	3.1
251.07014	4.2
251.10698	3.0
253.08583	5.2
264.07806	2.3
265.08603	18.5
267.10144	4.9
269.08026	2.9
270.08975	1.7
271.09879	2.7
277.08612	10.6
277.12057	2.2
279.10092	4.0
281.07983	2.3
283.09616	5.9
283.75439	1.8
284.10388	2.8
285.11136	10.2
287.12860	2.3
289.08981	1.6
291.10294	3.0
293.08322	1.9
295.09570	3.8
296.10532	2.0
297.11252	26.9
299.12747	3.0
300.06128	2.3
305.11703	3.0
306.09030	2.0
309.11243	6.8
311.12747	21.4
313.10785	2.4
315.12195	7.8
317.13776	5.0
323.12613	10.0
329.13724	2.3
330.23911	4.5
337.14279	21.1
341.13766	4.6
349.14212	5.6
355.15411	23.6
367.15439	13.6
461.19266	4.1
473.19235	2.2
477.29266	5.1
479.20605	5.6
491.20630	4.1
509.21555	7.6
539.17145	2.2
539.20831	2.3
539.29279	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10326	1.4
69.83245	3.8
79.05473	2.3
81.07023	2.8
91.00694	2.0
91.05409	8.2
93.07027	2.0
94.04163	5.1
95.04949	2.2
98.22859	3.4
103.05444	2.4
105.07015	3.9
107.04898	2.1
107.08560	4.4
109.06485	3.1
111.04401	2.3
115.05457	2.4
117.07002	2.7
119.04918	6.5
121.06483	4.1
122.03625	6.1
123.08061	3.6
128.06233	2.1
131.04898	2.8
132.05663	1.8
133.06500	2.8
135.08031	3.5
137.05957	100.0
138.06294	6.0
139.06509	2.4
143.04922	2.7
145.06415	2.3
149.06001	3.2
149.09642	2.1
151.03920	2.9
151.07524	41.1
157.06479	2.2
161.05946	12.0
161.09557	2.8
162.06238	1.7
163.07510	4.9
165.06964	2.8
165.09090	2.3
167.05553	2.7
167.06903	1.7
170.15382	4.7
175.07532	7.2
177.09081	4.7
179.08478	1.8
182.15286	1.7
187.07462	2.5
189.09077	3.6
193.06549	1.9
194.07196	4.1
195.08333	2.7
195.10115	19.7
198.14851	4.6
205.04814	2.1
205.06569	3.3
205.08432	1.9
207.10117	1.9
210.06578	2.5
211.07481	3.1
219.09918	2.1
221.05998	2.1
222.06743	4.3
225.09155	3.8
226.14360	2.4
234.06720	1.5
235.07446	2.6
237.09062	6.3
241.08595	2.2
249.09023	2.7
253.08575	3.2
264.07178	1.6
265.08524	18.2
266.09189	3.4
267.09909	1.9
277.08395	3.9
283.09628	4.3
285.11258	9.4
291.10449	1.6
297.11191	30.3
298.11618	2.9
299.12155	2.8
301.05847	2.3
309.11307	2.1
311.12711	15.1
313.89822	1.7
317.13834	3.3
323.12717	4.3
337.14447	4.0
341.13824	2.1
343.15186	1.8
353.26547	3.8
355.15482	2.9
370.09732	1.5
377.22888	4.7
384.10800	1.7
395.27274	2.3
430.44788	1.7
459.18088	2.1
461.19223	4.5
471.29721	1.5
479.14346	2.0
479.20724	6.6
491.20761	2.6
521.31128	10.8
526.38232	1.7
539.19452	3.7
539.32336	34.7
539.41425	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	539.2644
Annotation	Okaramine O
Peak:m/z	Relative Intensity
57.07046	0.6
60.94850	0.6
61.90128	0.6
70.57882	0.8
70.58196	0.9
71.07699	0.7
89.05981	1.0
92.60128	0.6
104.64966	0.7
124.44826	0.8
148.74617	0.7
256.26401	0.8
311.29324	0.8
322.51685	0.8
377.17654	2.2
378.18445	2.1
379.19009	2.1
391.19196	3.1
392.19891	3.8
393.20685	11.2
405.20541	1.7
406.21558	1.4
407.14688	0.8
407.16641	1.0
407.22244	13.8
421.23883	6.6
422.17374	2.0
423.18118	3.1
435.18454	0.9
436.19040	2.0
437.19626	12.7
438.20334	2.1
448.22482	1.2
451.21252	23.4
452.21579	1.5
465.22559	3.4
466.23489	3.2
477.26309	5.1
479.24133	1.0
480.25247	0.8
494.26675	1.3
495.20511	1.1
495.27328	10.1
503.24490	2.8
510.22513	6.3
511.23227	0.8
514.43018	0.7
520.72089	0.7
521.25433	2.5
523.24127	0.8
524.24298	1.4
539.26428	100.0
540.26740	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	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53350	0.2
70.56087	0.4
74.00648	0.2
75.66586	0.2
79.05481	0.2
81.07037	0.3
95.08578	0.3
114.57703	0.2
117.65190	0.2
185.04221	0.4
203.05252	0.7
226.85960	0.2
233.32104	0.2
259.07947	0.5
268.89441	0.2
300.06067	0.2
498.65030	0.3
539.31891	100.0
540.32159	4.6
553.07672	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	539.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33173	0.2
57.91035	0.2
67.10563	0.2
97.33012	0.2
100.42502	0.2
123.78030	0.2
158.69453	0.2
185.04184	0.4
188.68797	0.2
293.17239	0.3
349.15781	0.3
377.26785	0.2
423.68719	0.2
539.31836	100.0
540.32141	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43133	0.5
57.07066	0.7
62.62137	0.6
71.08614	0.5
71.44485	0.5
71.45073	0.7
71.86769	0.5
72.04515	0.6
73.04710	0.6
79.48249	0.7
151.56073	0.6
176.88312	0.6
247.14294	0.6
261.39929	0.6
298.83734	0.6
301.05795	1.1
308.27005	0.6
344.24008	0.7
379.57086	0.7
452.28555	0.7
539.31836	100.0
540.31982	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	540.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
57.02890	0.3
63.10029	0.2
67.05507	0.7
67.70686	0.2
69.03427	1.4
70.06556	0.4
71.04988	10.3
81.03409	2.2
81.07047	0.3
85.02883	1.8
85.06547	2.2
91.05470	1.3
95.04303	0.2
95.04955	1.2
95.08567	0.3
97.02870	1.8
99.04416	0.4
100.11216	0.7
100.24876	0.2
103.05441	0.5
103.07561	0.3
105.07030	0.6
107.04927	0.6
109.02879	1.5
109.06509	0.4
111.18321	0.3
111.93951	0.3
113.05987	1.6
119.04920	0.8
121.06508	0.3
124.63335	0.3
127.03877	1.3
127.06667	0.5
127.07536	5.0
128.10675	0.4
129.07005	1.0
131.04895	0.6
131.07018	1.7
132.03522	0.5
132.04439	6.7
135.08075	0.4
137.05965	5.2
141.05437	0.3
142.12225	0.4
145.04951	0.8
145.08578	20.7
149.05952	0.8
151.03825	0.6
151.07530	6.8
155.06955	0.4
156.10114	0.5
157.06462	0.6
160.03877	0.5
161.05978	1.1
163.06366	0.3
163.07513	1.8
165.06956	0.4
165.09096	0.5
167.08530	0.5
174.06755	0.7
175.07518	0.5
177.09108	1.2
178.04971	64.7
179.05313	1.0
187.05881	0.3
189.09074	2.5
193.10217	0.3
193.15901	0.5
195.08038	1.2
206.04463	100.0
207.04836	2.0
207.10138	0.5
209.16553	0.3
211.16931	0.5
219.10112	1.1
221.09515	0.7
223.07562	0.8
225.08974	0.4
227.10686	2.0
237.08965	0.5
240.07820	0.3
247.13159	0.3
253.08530	0.7
253.12221	1.0
255.10132	2.4
257.10150	0.5
269.08060	0.3
269.18463	0.4
281.11667	0.3
285.10916	1.3
287.12708	3.3
299.11145	0.5
313.14334	3.7
331.15359	10.8
343.15363	0.3
414.14316	0.3
501.90720	0.3
540.17126	2.2
540.29120	0.4
540.40833	0.8
541.22498	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	540.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01854	1.3
57.03418	1.7
61.02920	3.0
65.03940	1.7
66.37627	1.0
67.05492	2.0
69.03423	4.1
70.20900	1.8
81.03402	3.5
85.02895	21.4
87.20139	0.9
95.04957	20.5
97.02883	7.4
98.22813	1.1
98.97575	1.6
105.04513	1.9
109.02816	2.3
110.03619	1.3
116.98635	1.4
121.02858	1.8
122.46712	1.0
123.04417	13.9
125.02313	5.0
127.03909	4.5
128.98610	1.2
139.48308	1.0
140.04662	86.9
141.05002	1.3
145.04909	7.4
155.07007	39.2
163.06010	2.9
164.13879	1.0
167.03409	1.4
170.99683	1.0
173.08070	2.8
180.08681	1.3
181.04939	16.9
193.30315	1.0
199.05988	100.0
200.39018	1.1
237.02820	1.7
264.01663	1.2
303.25690	1.0
366.04724	1.6
413.83191	1.1
447.80527	1.1
462.82874	1.3
473.98599	1.0
480.08740	2.1
521.12799	1.3
540.10614	6.7
544.48822	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01846	2.7
57.03428	1.4
61.02904	2.8
67.05488	3.2
67.08256	0.6
69.03111	0.8
69.03416	8.6
71.04966	2.6
71.24650	1.0
73.02898	1.0
79.05479	9.0
81.03416	3.7
81.07047	3.8
83.01329	3.4
85.02885	23.9
91.03918	1.2
91.05457	7.5
93.03394	0.8
93.07014	2.0
93.54801	0.6
95.04915	1.3
97.02879	7.0
97.06501	3.2
99.04442	4.3
101.02370	0.9
105.07012	4.4
107.04935	1.7
107.08569	35.9
109.02841	1.5
109.06486	2.3
109.10118	1.6
115.05424	1.4
117.06998	4.4
119.06021	0.8
119.08505	1.0
121.06491	1.4
122.06895	0.6
125.09612	2.2
127.03889	5.5
129.06960	1.8
131.08519	2.4
133.10129	0.7
134.26115	0.7
135.08023	37.6
137.05946	1.6
141.06949	2.4
145.04947	8.5
153.09081	2.6
157.06448	1.9
158.07230	1.1
159.08011	1.8
163.07498	100.0
164.07851	1.6
169.06465	1.3
170.07237	0.8
174.06717	5.0
175.07506	1.4
180.08578	1.8
181.08557	85.3
182.08885	1.8
186.06651	1.4
189.09030	9.5
191.10661	0.9
199.09622	34.0
201.09103	3.5
219.10115	41.1
237.11087	0.8
281.37579	0.8
307.11908	0.7
325.12790	3.4
343.13831	2.3
430.34235	0.7
458.65625	0.8
540.17090	1.2
541.15405	1.4
541.22382	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	540.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.4
55.05497	0.8
57.03410	1.2
61.02896	0.7
67.05481	2.0
69.03414	5.1
71.04956	1.3
71.28581	0.8
73.02904	1.3
79.05490	8.0
81.03388	2.0
81.07034	2.6
85.02892	15.8
85.03399	0.8
87.04432	1.7
91.05460	9.5
91.19258	0.7
93.07033	3.0
97.02877	7.3
97.06518	1.7
99.04453	2.5
105.07013	5.4
107.04945	2.0
107.08574	49.6
108.08906	0.9
109.02868	1.4
109.06525	4.1
109.10144	2.3
111.04454	1.3
115.03916	1.9
115.05460	3.4
117.07007	7.5
118.96706	0.7
118.97652	0.8
119.06038	2.0
119.08556	1.1
125.09600	4.4
127.03867	4.8
133.04924	2.2
133.10106	4.3
135.08026	100.0
136.08366	2.2
137.05975	1.8
139.53470	0.8
145.04935	7.5
147.11652	0.8
151.07515	0.9
151.10025	0.7
151.11140	4.2
153.09113	5.1
155.06944	1.4
161.05983	0.7
163.07507	91.7
164.07802	1.9
180.08682	1.0
181.08562	59.9
182.08864	1.1
193.12280	2.4
199.09618	32.3
200.09921	1.1
211.13251	5.1
219.10078	1.0
229.14340	8.1
240.06189	0.7
241.07060	0.8
307.11710	1.5
325.12805	4.3
343.13828	2.5
391.70139	0.9
540.17340	4.8
541.21954	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	540.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13950	6.8
85.02893	6.3
91.05470	9.2
95.04958	2.6
98.22729	2.6
103.80014	1.4
107.04955	2.3
109.06495	2.2
115.05421	1.9
119.04927	6.1
121.06497	2.2
122.03650	2.1
128.06227	2.0
129.06978	11.7
131.04910	2.5
131.08548	5.3
135.08035	2.5
136.05141	1.8
137.05963	44.6
141.06996	3.3
145.04919	1.9
145.06470	2.3
145.32671	1.2
149.05956	4.7
151.07523	52.4
157.06390	7.3
158.07214	1.8
159.08025	2.7
161.05971	5.6
163.07547	11.5
165.07045	2.3
165.09164	2.9
167.08504	4.8
169.06480	2.0
174.06740	11.2
175.07513	4.3
177.09113	3.8
186.06712	1.7
189.09084	30.8
190.66792	1.4
193.06454	2.0
193.10075	3.4
195.08015	11.1
196.08633	1.7
201.09018	3.9
204.89326	1.4
207.10147	1.9
209.09593	1.6
210.06950	1.7
211.07497	1.5
212.08376	1.7
219.10129	58.6
221.05917	2.4
221.09592	6.0
223.07520	6.3
225.09064	3.9
227.10686	15.1
231.37096	1.4
240.07771	1.9
249.08987	2.9
251.19829	1.5
253.08475	4.4
253.12291	7.0
255.10135	14.9
267.10193	2.1
269.08066	2.6
281.11700	3.7
285.11191	11.1
286.53021	1.5
287.12720	37.9
299.12772	2.0
306.40179	1.5
313.14270	31.9
314.14627	1.9
331.15353	100.0
332.15762	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	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44220	0.7
55.05507	1.3
56.18965	0.7
57.03418	0.9
59.04985	0.6
67.05488	1.2
69.03412	3.1
69.07050	0.9
69.09158	5.8
70.06574	1.3
71.04979	2.2
73.02894	1.0
79.36983	0.7
81.03414	1.5
81.07047	1.7
83.08603	0.7
85.02893	7.9
85.06529	1.1
91.05466	1.3
93.07000	1.4
95.08592	3.5
97.02876	4.1
99.04461	0.7
105.07010	1.2
107.08553	1.9
109.02872	0.9
109.06538	1.0
109.10139	4.4
115.03910	1.0
115.05412	1.0
116.06217	0.8
119.08559	3.3
121.10081	1.1
123.08036	2.1
127.03873	1.5
128.06213	1.6
129.06981	7.9
131.04857	1.2
131.08531	7.2
132.04405	1.4
133.04945	0.8
133.10075	2.6
135.08014	0.8
135.11655	2.2
137.05969	4.5
141.06979	6.7
144.05721	0.9
145.04893	1.9
145.08578	2.0
145.10036	1.0
146.21736	0.8
151.11124	1.0
153.09055	1.0
157.06465	5.3
158.07251	3.5
159.07999	6.5
160.05237	1.1
161.05992	0.8
161.09584	1.2
163.11139	1.4
165.16400	1.0
169.06462	3.4
170.07259	1.6
174.06726	13.1
175.07481	2.9
175.14754	3.7
178.04973	11.3
181.12125	1.0
186.06735	3.6
188.08273	0.9
189.07478	1.6
189.09074	26.0
191.10635	3.6
193.15858	6.5
196.61545	0.8
201.09067	9.8
206.04454	16.2
207.10095	2.2
209.15204	0.8
211.16870	2.9
219.10121	100.0
220.10439	2.1
229.17973	5.1
237.11107	1.1
349.60660	0.8
381.15442	1.4
395.80405	0.8
448.82135	0.8
470.30035	0.8
520.77643	0.9
540.27521	1.4
541.21954	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97576	0.8
56.29052	0.8
68.38469	0.9
69.03418	2.8
69.25217	5.1
71.12062	0.7
78.65350	1.0
79.05428	0.7
81.03413	1.7
82.85526	1.0
85.02901	8.8
89.10866	0.8
91.05463	9.0
94.04162	0.9
95.04970	1.6
96.92954	0.9
97.02897	1.9
103.05451	1.3
105.07026	1.7
107.04944	2.6
109.06538	1.5
111.04341	1.0
119.04932	8.0
121.06496	2.4
122.03631	2.1
122.06240	0.8
123.08123	0.8
129.06978	4.6
131.04903	2.3
133.06448	1.5
135.08018	1.7
136.05157	1.3
137.05957	37.8
137.55859	0.8
138.06317	0.9
149.05980	5.9
151.03911	1.6
151.07524	44.8
151.32768	0.9
152.07825	0.9
157.06506	5.0
161.05998	7.0
161.09584	1.5
163.07523	12.1
165.06885	1.7
165.09108	1.4
167.08562	6.2
174.06691	2.5
175.07533	4.1
177.09052	3.7
182.07169	1.0
189.09074	14.4
193.06465	2.7
193.10091	2.4
195.08047	9.0
197.06038	1.0
207.10132	2.5
209.09610	1.4
210.06741	2.0
211.07423	1.1
221.05977	2.8
221.09630	3.6
223.07552	4.6
223.98694	0.8
224.08226	1.0
225.09059	3.0
227.07056	0.8
227.10612	13.4
237.09059	1.1
238.06216	1.6
240.07875	1.9
249.09053	2.3
253.08525	5.9
253.12238	6.8
255.10144	13.4
267.10159	3.0
269.08002	2.3
269.11737	1.4
272.10571	1.3
281.11615	2.6
284.10220	1.1
285.11133	8.8
287.12735	26.5
299.12741	1.2
313.14304	24.9
314.14612	1.2
331.15356	100.0
332.15729	2.7
343.15268	3.3
377.84628	0.9
410.81387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17799	0.8
55.03497	1.2
61.02911	1.6
69.03420	3.3
69.22552	6.0
70.05154	0.9
70.06592	1.3
71.04971	2.4
73.02910	1.3
78.67848	0.9
81.07037	1.5
85.02895	4.7
91.05492	4.4
93.07024	1.7
95.08600	2.0
97.02902	2.9
98.21967	1.3
103.05453	7.9
105.06989	2.0
107.04980	1.1
107.08594	2.3
108.57913	1.0
109.02875	1.5
109.10163	1.4
112.21958	0.9
115.05459	1.1
117.06993	1.7
119.04942	2.7
119.08540	1.0
121.06470	1.5
121.10112	1.4
122.03652	1.8
124.51156	0.8
129.06958	1.3
131.04926	12.8
133.10147	1.7
135.08116	1.7
137.05960	26.3
137.09578	1.0
145.08534	1.5
149.05972	2.9
151.07532	14.7
157.06401	1.1
161.05934	2.9
162.06740	2.8
163.07518	34.3
174.06821	1.3
175.07539	4.2
177.09081	100.0
178.05005	3.3
178.09294	1.1
189.09108	4.4
193.15906	2.1
195.08040	2.9
195.10164	2.8
206.04422	7.0
211.11124	1.2
211.16891	3.3
212.08301	1.0
221.11696	13.1
225.09085	1.4
227.10681	3.7
253.08536	1.4
253.12218	2.3
255.10236	3.1
281.11661	1.2
285.11203	2.7
287.12692	8.6
311.12939	1.5
313.14316	8.2
331.15350	19.6
332.15631	1.0
343.15295	3.0
395.85773	1.2
504.14227	0.9
540.29205	7.6
541.19897	2.2
541.27136	1.8
565.55908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.0
79.05489	2.2
81.07034	3.1
83.08589	2.6
85.02884	5.4
88.58897	1.9
91.05476	6.5
93.07032	2.0
95.04945	3.6
97.02870	2.2
100.11251	18.2
103.05465	10.0
105.07022	2.0
107.04954	2.0
109.06544	2.4
111.04395	2.3
117.06966	4.1
119.04937	7.2
121.06504	2.6
122.03618	5.0
129.06996	4.1
131.04912	17.4
133.06487	2.9
135.08072	2.4
137.05966	46.3
138.06354	2.5
149.05917	4.8
151.03883	4.1
151.07527	37.3
157.06456	4.3
161.05911	7.9
162.06685	2.8
163.07538	44.9
167.07008	3.3
167.08559	2.8
168.06538	4.2
170.15366	8.9
174.64630	1.9
175.07544	6.9
177.09090	100.0
178.09395	2.4
189.09117	12.7
195.08061	7.0
198.14883	6.7
205.04860	4.6
209.16478	4.5
210.06740	2.1
210.14905	5.4
219.10188	2.4
221.05858	2.0
221.09703	3.4
221.11728	11.5
223.07529	4.5
225.09093	2.3
227.10606	12.4
249.09105	2.1
253.08543	6.3
253.12213	7.2
255.10022	10.4
267.10202	3.5
274.08176	1.7
281.11664	2.8
285.11154	6.4
287.12741	19.1
299.12573	2.3
301.06125	1.8
311.12744	3.7
313.14301	17.2
331.15359	56.4
331.19336	3.2
343.15323	4.0
343.30341	1.8
373.08621	1.8
424.14493	1.8
505.58279	1.8
540.28448	5.9
540.44794	37.6
541.17377	1.7
541.29547	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	540.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63690	3.3
54.49313	3.6
55.05522	4.4
60.38438	3.1
62.46661	3.0
67.05508	3.9
69.03416	6.9
69.17745	20.3
71.04977	5.0
79.05479	6.5
81.07044	4.4
81.39790	3.2
85.02908	4.2
91.05485	5.3
93.07003	5.1
97.02856	4.7
97.88800	3.3
100.11227	13.2
103.05406	4.0
105.07052	4.8
107.04978	6.0
107.08588	5.8
121.06539	4.2
122.03625	5.6
131.04909	10.0
137.05969	46.5
147.04443	4.6
151.07553	7.6
154.66890	3.1
161.05977	7.5
163.03909	5.4
163.07521	8.9
166.84448	3.1
175.07539	9.3
177.05496	4.6
177.09148	8.8
182.15317	5.3
190.02591	9.4
191.03365	24.1
193.04938	12.4
199.03908	6.7
205.04932	100.0
210.14833	5.1
211.07654	3.8
219.06511	20.0
221.04456	8.3
231.06390	8.8
245.08005	4.1
247.09636	27.1
249.99141	4.1
259.09747	5.1
269.07849	3.3
271.09625	24.6
273.11148	42.7
283.09555	9.5
287.12918	3.8
315.15845	5.2
325.14270	40.8
329.13492	3.8
343.15347	67.9
344.15512	6.2
452.52756	3.6
459.18555	3.8
530.88934	3.5
540.17450	20.9
540.27441	6.4
541.16431	3.9
555.64441	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	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58451	2.7
51.14108	2.8
51.47087	2.5
57.56470	2.4
65.64166	2.5
69.03432	3.3
69.43656	13.2
71.04956	4.5
71.31286	2.8
79.05508	2.7
91.05444	4.3
93.07030	8.0
94.01708	2.8
95.04938	3.5
97.02913	4.1
98.22757	4.9
105.07001	4.2
110.07112	3.1
121.06476	8.6
131.04932	6.2
135.11673	5.0
137.05981	12.1
138.06281	2.9
149.06035	4.7
151.07570	5.3
152.07855	2.8
161.05943	4.4
161.15114	2.9
162.03197	4.4
163.03850	7.4
163.07581	4.6
167.05745	2.9
167.07057	9.2
170.16446	3.0
175.07552	3.4
177.05481	4.4
177.09065	4.8
187.23767	3.0
189.05374	2.9
190.02574	10.2
191.03325	19.1
193.04942	3.2
195.39757	2.7
196.10634	2.6
201.09093	3.6
205.04933	100.0
214.06194	2.8
217.04808	3.2
218.54088	2.7
219.06522	6.4
225.05484	3.5
229.08603	13.0
231.06442	2.9
245.08096	21.6
247.09665	26.5
257.07996	23.1
263.09113	8.8
271.09604	3.3
273.11111	19.0
275.09186	4.4
297.11514	3.5
325.14349	6.5
343.15384	89.9
361.16278	9.6
522.31104	3.1
540.16437	32.5
540.31232	10.1
541.29718	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	540.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04274	1.8
54.01000	2.1
54.29200	2.5
55.01867	2.3
55.05510	2.8
57.03415	6.8
61.02927	3.0
65.25327	2.0
67.05485	9.6
69.03421	24.2
69.07041	3.8
69.41128	2.4
69.60574	9.0
70.06571	4.4
71.04986	28.6
79.05478	11.7
81.03419	3.3
81.07035	9.1
85.02895	24.1
85.06523	3.2
87.04454	16.4
91.05463	34.8
93.07036	11.7
95.04936	3.3
97.02875	26.9
97.06491	2.4
104.01879	2.3
105.07026	21.0
107.04953	3.3
107.08582	32.4
108.88315	2.6
109.06496	6.6
109.10114	2.2
115.03902	16.6
115.05386	2.9
115.11145	1.9
117.07014	6.9
118.35119	2.1
119.08571	6.7
120.13896	2.0
121.10105	4.0
122.06715	2.1
125.05982	2.9
127.03884	4.8
131.08542	8.8
133.04948	15.4
133.06467	4.9
133.10103	81.8
135.08035	56.5
137.05931	8.9
145.04961	5.3
147.07970	4.9
147.11694	17.1
149.09569	5.8
149.13322	3.9
150.07539	3.7
151.07570	2.3
151.11143	27.8
153.09094	2.5
155.07007	5.7
163.07513	82.5
165.12683	4.5
171.32147	2.4
175.11169	15.5
181.08578	39.1
193.12215	64.1
199.09604	9.0
211.13261	100.0
212.13631	4.5
229.14320	60.5
229.16597	3.0
271.05560	2.3
325.12784	12.6
541.22375	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	540.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01857	2.3
55.05489	5.5
57.03424	3.6
59.04992	1.6
61.02909	3.4
67.05500	12.1
69.03428	6.6
69.07048	6.4
70.06570	1.7
71.03646	2.0
71.04974	2.7
73.02908	11.4
79.05489	6.2
81.03402	2.4
81.07037	9.2
81.80122	1.3
83.04977	3.2
83.08596	4.8
84.27296	1.2
85.02894	20.2
85.06531	5.4
91.03948	1.4
91.05448	3.2
93.07042	6.6
95.04928	2.1
95.08589	39.7
96.08962	1.4
97.02872	12.2
97.06523	2.5
97.10156	2.6
99.04433	1.4
99.08061	3.4
101.06016	2.5
105.07010	4.2
105.51716	1.2
107.08585	10.0
108.18858	1.2
109.02830	1.5
109.10141	22.4
111.08089	3.4
115.03915	4.7
115.07533	4.8
119.08573	9.7
121.10139	7.4
123.08018	2.1
123.11682	6.7
125.09577	2.0
127.03892	3.6
131.04857	1.7
133.04945	4.4
133.10112	10.3
135.08028	1.3
135.11661	12.0
137.05945	3.9
137.09576	9.3
137.13240	1.7
139.11156	3.1
145.04919	3.9
147.11670	2.5
149.13231	5.0
151.07503	3.2
163.14781	10.0
165.16423	2.4
175.14795	16.8
178.05009	1.9
181.15813	9.9
182.98759	1.5
189.09055	1.9
193.15860	27.3
206.04362	1.6
211.16891	100.0
212.17258	2.0
229.17943	34.1
331.15585	2.4
335.09467	2.0
343.20950	3.5
457.20114	1.5
482.10260	1.4
510.19858	1.4
540.27972	2.3
541.21985	26.9
541.30548	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	540.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01857	2.3
55.05489	5.5
57.03424	3.6
59.04992	1.6
61.02909	3.4
67.05500	12.1
69.03428	6.6
69.07048	6.4
70.06570	1.7
71.03646	2.0
71.04974	2.7
73.02908	11.4
79.05489	6.2
81.03402	2.4
81.07037	9.2
81.80122	1.3
83.04977	3.2
83.08596	4.8
84.27296	1.2
85.02894	20.2
85.06531	5.4
91.03948	1.4
91.05448	3.2
93.07042	6.6
95.04928	2.1
95.08589	39.7
96.08962	1.4
97.02872	12.2
97.06523	2.5
97.10156	2.6
99.04433	1.4
99.08061	3.4
101.06016	2.5
105.07010	4.2
105.51716	1.2
107.08585	10.0
108.18858	1.2
109.02830	1.5
109.10141	22.4
111.08089	3.4
115.03915	4.7
115.07533	4.8
119.08573	9.7
121.10139	7.4
123.08018	2.1
123.11682	6.7
125.09577	2.0
127.03892	3.6
131.04857	1.7
133.04945	4.4
133.10112	10.3
135.08028	1.3
135.11661	12.0
137.05945	3.9
137.09576	9.3
137.13240	1.7
139.11156	3.1
145.04919	3.9
147.11670	2.5
149.13231	5.0
151.07503	3.2
163.14781	10.0
165.16423	2.4
175.14795	16.8
178.05009	1.9
181.15813	9.9
182.98759	1.5
189.09055	1.9
193.15860	27.3
206.04362	1.6
211.16891	100.0
212.17258	2.0
229.17943	34.1
331.15585	2.4
335.09467	2.0
343.20950	3.5
457.20114	1.5
482.10260	1.4
510.19858	1.4
540.27972	2.3
541.21985	26.9
541.30548	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	540.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
56.05022	0.9
57.03427	0.7
57.07049	0.5
58.06593	0.9
60.08157	5.7
65.77417	0.3
66.71891	0.3
67.05497	3.9
69.07057	1.2
69.62582	0.7
69.62959	1.1
71.07368	4.5
71.08626	0.4
76.59591	0.4
79.05484	3.4
81.07049	3.8
83.08624	0.6
85.61577	0.3
86.09696	21.9
87.06169	0.3
91.05459	2.4
93.07028	4.5
95.04959	1.0
95.08584	2.2
98.23365	0.7
99.14320	0.4
104.10732	100.0
105.07000	1.2
105.11071	0.9
107.08581	1.5
109.10123	0.7
117.06989	0.5
119.08580	0.6
121.10132	1.0
146.98167	12.0
176.99226	0.5
193.12006	0.3
246.68550	0.3
335.25781	0.9
357.23987	0.8
437.20160	0.4
481.23227	48.7
482.23630	2.0
540.30573	13.4
541.18268	0.5
541.30536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98625	0.4
55.50569	0.3
56.96555	6.3
58.88405	0.3
59.81367	0.4
67.35448	0.3
69.55694	1.6
71.95239	0.5
73.47883	0.4
98.97565	68.2
116.98602	44.4
116.99239	0.7
126.60748	0.4
130.93269	0.5
134.99632	15.0
140.00192	0.5
146.51297	0.3
153.00679	1.7
172.94334	2.6
174.97536	0.4
175.98711	0.4
190.95412	2.8
208.96422	1.0
209.88838	0.4
214.95421	2.8
216.98685	0.4
218.82272	0.4
232.96440	8.8
235.00055	0.4
240.98650	0.6
250.97563	4.8
256.96384	16.4
257.96854	0.4
258.99734	7.8
274.97464	100.0
275.97739	1.8
276.97913	0.6
277.00772	10.9
278.00998	1.0
282.99985	1.1
284.00092	0.7
290.95422	0.8
292.98511	61.5
293.98813	0.8
297.99106	1.3
298.97681	2.1
301.00940	2.2
302.01422	1.0
303.00873	0.5
314.95441	0.9
316.00034	1.0
316.98724	3.2
319.81931	0.4
332.96484	1.0
359.00021	0.5
374.97675	1.8
382.99908	0.9
392.95145	0.4
398.97574	20.8
399.97617	1.0
401.00983	3.5
402.01099	0.4
416.98608	48.5
417.98859	2.4
419.02026	0.5
432.96573	0.6
434.94302	0.5
434.99713	9.7
440.00153	1.0
444.02203	1.0
456.96732	1.7
458.99698	0.6
498.97656	0.6
522.98798	0.6
540.98846	15.1
541.91620	0.5
541.99048	1.7
558.95679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.6
56.30113	1.7
57.64409	1.7
59.34394	1.5
67.05482	2.7
67.88251	1.7
69.03410	2.3
69.07035	1.8
70.06559	1.6
70.14452	3.8
71.04955	3.0
75.12312	1.8
79.05453	2.0
81.03373	2.5
81.07036	4.1
85.02888	4.0
91.05453	4.0
92.58171	1.6
93.07006	3.1
95.08575	3.2
100.11221	4.9
105.06969	3.3
107.08569	4.0
107.57469	1.6
109.02846	2.5
109.10122	2.9
119.08531	2.2
120.08062	2.4
127.11140	1.7
133.10088	2.5
137.05927	4.1
145.10112	1.6
151.03856	1.9
165.05447	1.6
206.04396	2.5
211.16815	2.8
212.16364	1.9
335.09039	2.8
335.26865	1.8
361.23303	2.3
540.28802	3.3
540.44354	6.3
541.16296	100.0
541.29541	53.8
541.43066	2.5
542.17053	2.5
542.29211	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	541.1893
Annotation	IRIGENIN, DIBENZYL ETHER
Peak:m/z	Relative Intensity
68.25372	0.6
70.06583	1.0
97.02921	0.7
108.86631	0.6
132.39253	0.5
137.05962	1.4
149.05974	0.8
151.03873	0.5
153.71034	0.5
161.05869	0.7
169.04674	0.8
174.06682	0.8
177.05238	0.9
185.04184	0.9
189.09062	0.7
201.71179	0.6
206.04465	0.9
219.10121	1.1
220.10327	1.2
229.22462	0.6
232.07043	0.8
233.07848	3.1
331.09970	12.0
364.10165	0.6
395.13043	1.0
541.18750	100.0
542.19080	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	541.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52650	0.5
69.06005	0.6
70.06583	1.3
71.04472	0.6
73.93682	0.5
79.73848	0.5
84.04518	0.7
98.97719	0.6
111.55064	0.6
125.02098	1.2
137.05997	1.1
153.05263	0.9
169.04736	0.9
175.03711	1.3
208.35663	0.6
213.07320	3.6
219.10158	1.2
230.76471	0.5
247.13023	1.1
255.08463	0.9
297.09439	1.0
335.09662	2.6
335.13184	0.6
357.11566	4.3
409.18216	3.6
411.12372	0.7
481.16724	4.2
500.20352	0.6
541.19177	100.0
542.19513	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	541.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52220	0.4
58.54194	0.4
59.02001	0.5
59.95036	0.4
69.07068	0.6
69.73125	1.7
70.06618	0.4
71.04990	0.9
73.02928	0.6
76.10329	0.5
79.12967	0.5
81.07059	1.3
83.06110	0.5
84.04505	1.1
85.02898	1.0
91.05479	0.6
93.07016	0.6
95.04974	0.5
95.08623	1.8
98.22791	0.5
105.07035	0.6
107.08648	0.8
109.02874	0.5
109.10144	1.0
115.05420	0.4
119.08610	0.5
130.05009	1.1
135.08051	0.5
137.05984	1.0
137.09558	0.8
145.08615	0.8
147.07658	0.7
149.09660	0.5
151.07597	0.7
175.07484	0.7
175.14932	0.6
178.05052	1.7
179.05359	1.1
194.16159	0.5
206.04446	3.2
207.04852	1.9
211.17015	1.9
212.17355	1.1
229.11960	0.8
247.13196	1.7
332.15674	0.7
333.08044	0.7
335.09436	6.5
357.11432	0.5
395.25653	0.6
409.18634	1.3
541.21790	100.0
542.21979	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	541.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52220	0.4
58.54194	0.4
59.02001	0.5
59.95036	0.4
69.07068	0.6
69.73125	1.7
70.06618	0.4
71.04990	0.9
73.02928	0.6
76.10329	0.5
79.12967	0.5
81.07059	1.3
83.06110	0.5
84.04505	1.1
85.02898	1.0
91.05479	0.6
93.07016	0.6
95.04974	0.5
95.08623	1.8
98.22791	0.5
105.07035	0.6
107.08648	0.8
109.02874	0.5
109.10144	1.0
115.05420	0.4
119.08610	0.5
130.05009	1.1
135.08051	0.5
137.05984	1.0
137.09558	0.8
145.08615	0.8
147.07658	0.7
149.09660	0.5
151.07597	0.7
175.07484	0.7
175.14932	0.6
178.05052	1.7
179.05359	1.1
194.16159	0.5
206.04446	3.2
207.04852	1.9
211.17015	1.9
212.17355	1.1
229.11960	0.8
247.13196	1.7
332.15674	0.7
333.08044	0.7
335.09436	6.5
357.11432	0.5
395.25653	0.6
409.18634	1.3
541.21790	100.0
542.21979	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	541.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	0.4
69.93655	0.7
70.06575	0.3
80.30955	0.2
81.03442	0.3
83.11416	0.2
85.02908	0.5
87.62317	0.2
91.05457	0.5
107.04932	0.2
109.10159	0.7
111.04474	0.2
119.04926	0.3
121.06549	0.3
123.11728	0.4
127.03921	0.6
131.04953	0.2
135.07973	0.3
137.05956	1.5
137.09647	0.5
138.06300	0.6
139.03905	0.2
147.04375	0.4
149.05948	0.5
151.07593	0.6
161.05995	1.0
163.07384	0.4
165.09140	0.5
173.78777	0.2
175.07430	0.2
177.05508	0.5
179.07100	0.7
180.07361	0.4
189.09050	0.8
191.06989	0.4
201.11295	0.2
207.10234	0.8
208.10458	0.2
208.76628	0.2
229.12096	0.8
229.17973	0.3
247.12968	0.6
317.08441	0.9
335.09442	1.2
367.62445	0.2
409.18274	3.4
417.13553	1.9
496.49091	0.2
539.36896	0.2
541.22522	100.0
542.22925	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	541.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00069	0.3
56.10701	0.3
69.03439	0.7
69.07072	0.4
70.49719	0.4
72.78742	0.4
74.16724	0.3
78.80631	0.3
79.05482	0.3
81.07057	0.9
81.64306	0.3
83.08622	0.5
85.02920	0.6
85.06537	0.3
91.05491	0.9
95.08605	0.8
100.11230	0.5
105.07041	0.3
107.01082	0.4
107.08626	0.4
109.10190	0.5
113.64576	0.4
119.08578	0.4
120.05158	0.3
120.08143	0.4
121.10139	0.6
123.11719	0.7
133.10147	0.3
137.05992	1.3
138.06413	0.6
151.07555	1.0
152.07904	0.6
163.07617	0.3
167.08519	0.3
189.09155	0.8
215.44016	0.3
219.10162	0.3
228.11099	0.5
233.09842	0.3
243.08502	0.5
247.13020	0.8
256.10431	0.4
275.07373	0.7
287.12711	0.5
288.13019	0.6
314.14618	0.6
331.15482	0.7
332.15649	2.2
335.09460	3.7
335.12833	0.4
394.25754	0.8
395.24005	0.4
409.18192	3.0
413.25137	0.3
540.42053	0.5
541.22565	100.0
542.22943	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	541.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33440	0.2
67.05479	0.3
70.92497	0.3
75.70602	0.3
77.06110	0.2
85.02897	0.4
97.02901	0.5
102.37305	0.2
107.08608	0.7
108.08883	0.4
109.10133	0.3
119.39066	0.3
135.08025	1.7
136.08424	0.6
137.09613	1.2
140.68433	0.3
142.58765	0.3
151.03857	0.4
163.07570	1.2
164.07922	1.0
165.09178	0.8
181.08632	0.7
181.35387	0.3
182.08949	0.4
189.09036	0.4
199.09705	0.5
229.11975	0.4
247.13025	0.3
329.12305	0.3
335.09378	1.7
346.63135	0.3
366.25168	0.3
409.18256	1.8
417.13568	0.9
523.21606	0.5
541.22559	100.0
542.22858	4.7
564.27490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55332	0.6
57.03442	0.7
65.03959	0.7
67.05501	1.2
68.01934	0.6
69.03417	1.0
69.07085	0.6
69.31427	2.8
69.31828	0.9
70.06599	0.9
79.05513	0.6
81.07047	1.9
83.13475	0.5
85.02891	1.1
85.06528	0.9
86.03187	0.7
88.14581	0.5
93.07051	1.4
95.08611	2.5
97.02879	1.3
99.08071	0.6
105.07007	1.3
107.08578	1.0
109.06496	0.7
109.10171	2.2
119.08588	1.4
122.56374	0.6
123.11725	0.8
133.10089	0.7
134.91875	0.6
135.11690	1.4
136.07565	3.5
137.06004	1.1
137.09578	1.0
138.39633	0.6
146.56485	0.7
147.11697	0.9
151.11200	0.7
152.07047	1.0
164.07086	3.0
175.14624	0.6
183.13818	0.9
193.15712	1.1
211.16859	1.2
212.17345	0.9
222.96274	0.6
229.17960	2.0
230.18358	1.8
239.20050	2.2
247.13072	0.9
293.46475	0.6
325.27213	0.9
335.09418	2.3
343.28461	0.6
357.11459	0.8
361.17514	2.6
409.18378	2.9
481.16406	0.9
541.22913	100.0
542.23145	4.2
564.40881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.1
57.07064	3.3
65.22426	0.7
67.05487	0.9
69.53084	0.7
70.06571	3.2
71.08611	2.0
88.07611	3.7
102.09183	2.6
108.70628	0.7
109.79294	0.8
119.20198	0.8
172.40488	1.0
231.20107	0.9
253.15581	0.8
256.26337	6.9
283.26282	1.7
284.29559	1.1
311.29453	5.7
312.29681	1.4
531.74628	1.1
540.53564	8.6
541.33319	100.0
541.53284	8.7
542.33649	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	541.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	1.4
58.88797	0.6
70.06587	0.9
70.55863	0.9
80.58745	0.7
80.92902	0.7
85.90410	0.7
98.30997	0.7
203.05145	0.9
229.30177	0.7
256.26443	1.1
260.48752	0.8
311.29248	1.4
312.29721	0.7
331.90958	0.8
398.43164	0.7
540.53424	1.4
541.33405	100.0
542.34058	4.9
557.22614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	1.4
81.07053	0.9
86.38113	0.7
88.07639	1.2
88.33277	0.6
95.08607	0.9
229.31641	0.8
244.89914	0.6
256.26492	2.1
257.26788	0.7
284.29541	0.8
285.61624	0.7
311.29602	2.1
409.74359	0.7
412.57166	0.8
540.53595	4.5
541.37134	100.0
541.53662	3.9
542.37244	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	541.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	2.0
67.05488	0.9
69.07059	1.3
70.06583	1.7
70.57109	0.9
71.08624	1.0
74.68380	0.6
81.07043	1.1
83.08599	0.7
85.10129	0.8
88.07625	2.6
89.07975	0.6
95.08585	1.4
102.09192	2.1
112.61905	0.6
113.69383	0.5
150.61960	0.7
256.26361	3.8
257.26868	0.6
262.43164	0.6
283.26355	1.5
284.29669	1.1
311.29407	4.3
312.29764	1.5
324.43188	0.7
353.23669	0.6
377.90836	0.6
480.73581	0.8
540.53485	9.0
541.37091	100.0
541.53735	8.4
542.37421	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	541.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14503	0.7
57.07081	2.0
57.96664	0.8
59.04252	0.6
64.24265	0.8
67.32564	0.6
69.43027	1.2
69.43428	3.4
70.06593	1.2
71.08627	1.0
75.50946	0.8
81.07076	1.0
83.78909	0.8
88.07629	1.6
89.06026	0.8
93.06302	0.7
95.08616	1.0
100.63054	0.6
102.09165	2.0
105.07050	0.8
127.25389	1.0
129.71201	0.7
153.62878	0.8
240.89914	1.0
256.26404	2.8
257.26901	1.0
311.29422	3.1
312.29910	0.9
330.51535	0.8
397.28784	0.7
540.53455	3.7
541.37091	100.0
541.53662	6.6
542.37781	4.5
566.31586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98983	1.3
51.02381	2.7
53.03938	5.9
55.01863	3.6
55.05500	28.5
57.03424	4.0
57.07066	16.6
58.06592	1.5
58.07385	1.4
65.03943	6.1
67.05494	83.5
69.03405	2.7
69.07059	20.4
69.07434	1.5
70.06581	9.7
71.04982	3.2
71.08631	5.2
72.08980	1.3
73.02905	1.4
73.06531	1.3
77.03916	3.0
79.05479	100.0
79.76416	1.1
81.03406	7.9
81.07044	65.8
83.04955	11.4
83.08615	10.4
85.06528	3.5
85.10179	2.1
87.04453	1.6
88.07617	12.2
89.07941	1.6
91.05466	68.0
92.05810	1.4
93.07027	95.4
95.04954	28.9
95.05520	2.0
95.08593	43.8
97.06524	4.9
97.10183	5.1
98.22645	1.9
102.09152	9.0
103.05428	1.6
105.04506	7.7
105.07011	47.0
107.04961	5.6
107.08577	28.6
107.09238	1.7
108.48177	1.2
109.06531	6.3
109.10127	10.7
111.08091	2.0
115.05445	2.3
117.06996	11.7
119.08562	30.4
121.06497	3.3
121.10130	16.4
123.08057	4.1
123.11708	3.5
128.06216	2.6
129.06969	16.8
130.07809	1.9
131.08540	11.8
133.10091	15.1
135.08029	1.8
135.11670	12.1
137.33218	1.2
141.07027	1.4
143.08542	8.7
145.10100	13.0
147.08063	2.0
147.11661	32.6
149.13277	3.7
155.08527	3.5
157.10170	2.6
159.11682	7.2
161.09613	3.1
161.13235	13.1
163.14743	1.8
169.10118	2.1
171.11647	22.8
173.13234	4.0
183.11703	2.4
185.13280	1.5
187.14799	2.1
189.12704	9.0
197.13184	2.1
199.14842	1.7
207.13762	23.5
208.14081	1.3
225.14851	1.9
229.24835	1.7
256.26340	16.9
257.26651	6.9
261.22043	2.0
283.26410	4.0
284.26630	2.1
284.29410	3.2
285.29831	1.8
311.29434	12.3
312.29822	10.5
317.24731	2.9
338.32294	1.5
449.34146	2.3
465.85220	1.4
467.35217	1.9
523.06482	1.2
540.53394	17.0
541.38861	75.2
541.53650	57.8
542.39148	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	542.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01865	9.4
57.03424	3.0
61.72252	1.1
62.66796	1.0
69.03419	19.9
70.53953	1.1
70.66413	2.2
71.01325	1.0
71.04984	2.6
73.02905	8.0
79.05470	1.3
81.03408	10.8
83.04999	1.2
85.02893	31.8
85.85801	1.1
85.86287	1.1
87.04497	1.2
91.05475	4.1
93.53648	1.0
95.04958	3.3
97.02893	14.0
98.97579	1.5
99.04436	4.4
101.02374	8.7
101.76255	0.9
103.05433	11.8
105.07034	2.7
107.04948	2.4
109.02883	9.4
115.03929	14.5
115.05458	2.5
117.06995	2.5
118.06507	2.4
119.03422	1.5
119.08573	1.6
120.08078	1.4
120.74667	1.1
121.06526	6.7
121.26320	1.0
122.05981	7.2
123.04409	1.1
127.03892	14.1
128.06216	2.7
129.06981	14.3
130.06522	1.6
131.04910	6.3
131.08545	8.0
132.04430	2.2
132.08049	1.2
133.06519	2.6
134.04475	1.8
136.06117	1.5
141.05910	1.0
141.06979	3.8
143.04964	2.7
145.04962	3.8
145.06473	11.2
147.08034	7.6
148.07581	6.5
149.06000	3.4
150.05510	3.2
156.08086	1.9
157.06464	20.6
158.06949	1.3
159.08049	11.2
160.07564	4.5
161.05991	5.7
166.08640	3.7
171.04413	3.4
174.09111	8.5
175.07524	10.0
184.07565	5.5
185.05951	26.4
185.07542	1.9
187.07533	4.2
188.07036	1.3
194.69139	1.1
202.08603	18.5
203.07016	22.8
203.08864	2.2
213.05409	2.7
220.09711	1.4
221.08226	1.2
230.08089	18.4
231.06448	6.5
239.05020	1.5
245.06313	1.2
248.09102	5.3
249.07657	1.1
266.10355	1.3
329.10059	2.5
347.11243	4.2
365.12219	1.4
374.12231	3.5
388.63065	1.2
392.13419	6.4
393.12164	1.7
410.14377	31.6
524.17432	1.9
542.18610	100.0
543.18909	6.8
550.04333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
51.17658	0.3
52.61237	0.3
53.03934	0.7
55.01857	0.7
58.49007	0.4
61.16018	0.3
61.82508	0.3
69.03417	1.1
69.13011	0.3
69.52377	1.2
73.02888	0.7
77.03912	0.5
79.05495	0.8
81.03394	0.6
85.02892	1.5
91.05474	4.0
93.07024	2.3
95.04954	1.9
97.02874	1.1
101.02388	0.7
102.59840	0.3
103.05453	78.3
104.05077	0.3
104.05780	1.8
105.04503	0.9
105.07016	7.0
107.28585	0.4
109.02874	1.0
111.78098	0.4
112.09868	0.3
114.05553	0.4
115.03941	0.7
117.05697	0.4
118.06530	8.2
120.08089	4.7
121.06495	0.7
127.03916	1.3
130.06506	4.3
130.49048	0.3
131.04906	23.7
132.05215	0.3
143.00096	0.3
145.04953	0.3
148.07547	100.0
149.06055	0.4
149.07899	1.6
166.07213	0.7
166.08577	0.4
266.10291	0.5
276.80759	0.4
313.54810	0.3
394.68518	0.3
410.14285	3.7
438.08301	0.4
524.18518	0.6
542.18640	44.7
543.18909	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01875	0.9
55.05510	1.5
57.03429	2.2
58.00652	0.7
59.05014	0.8
61.02899	1.9
66.48898	0.8
67.05493	18.5
69.03410	4.3
69.07052	3.4
69.26646	1.5
69.27052	3.4
71.04984	2.7
79.05470	1.2
81.03397	5.4
81.07045	9.2
85.02891	15.3
89.17281	1.0
93.07050	5.8
95.04948	4.7
95.08589	13.7
97.02882	6.5
98.23448	1.2
99.04433	6.3
99.08086	2.8
107.08566	2.4
109.02858	4.6
109.06512	1.0
109.10133	82.3
110.10457	1.7
111.04387	1.1
113.05993	1.3
115.03921	3.0
119.08567	2.3
121.10119	4.8
125.05962	1.9
127.03897	6.9
130.06505	59.5
131.06850	1.1
137.06006	1.8
137.09589	52.3
138.09973	1.0
144.08066	3.7
145.04933	6.6
147.08018	3.3
155.10645	20.3
155.78932	0.8
159.54521	0.7
163.05997	2.8
163.07390	1.2
165.09085	100.0
166.09428	2.4
172.07503	9.5
177.09024	1.0
183.10138	90.5
184.10435	1.9
200.07129	0.8
201.11183	36.8
266.07959	0.9
271.57837	0.9
281.38803	0.9
291.12222	1.6
309.13214	7.0
327.14352	3.4
333.78293	0.9
345.15186	1.1
362.12094	1.1
542.18512	2.9
543.24207	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	542.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03421	2.0
61.02912	2.7
67.05489	2.5
69.03412	5.7
69.07065	1.1
70.06569	0.9
71.04992	0.9
81.03407	2.2
81.07046	2.7
83.08650	0.8
85.02397	1.5
85.02895	23.7
87.04440	1.1
91.03902	1.5
91.05461	2.1
93.06995	1.1
94.04175	2.6
95.04934	0.9
95.08587	3.2
96.08159	0.8
97.02888	8.2
99.04447	1.6
99.08091	0.7
103.05464	5.1
105.07018	5.6
107.04933	1.4
107.08559	1.5
108.08092	1.0
109.02855	2.3
109.06515	1.0
109.10130	9.7
110.09689	2.2
115.03923	2.0
117.46351	0.7
120.08080	1.2
121.06490	3.0
121.10122	3.1
122.03619	6.5
125.05997	1.1
127.03905	4.9
128.06197	1.0
131.04906	8.7
133.04926	0.9
133.06477	17.3
135.07990	4.9
135.11676	0.9
137.05957	100.0
137.09579	13.7
138.06313	1.4
138.09074	2.0
139.11156	2.7
143.08539	1.2
145.04962	6.6
145.06352	4.1
147.08005	1.2
149.05974	1.8
151.03882	0.9
151.07538	6.4
155.10649	4.8
157.06448	1.4
163.06020	2.2
163.07504	28.2
165.09103	7.9
166.08643	3.5
171.08032	1.7
174.06712	0.9
175.07457	2.4
177.16339	4.3
183.10124	3.6
188.08289	1.0
189.09100	2.5
195.17368	3.7
198.03822	1.0
201.11189	21.9
203.10623	5.1
221.11778	1.0
245.09564	0.9
263.10522	1.8
279.42422	0.7
281.09198	1.0
295.10318	0.7
295.13263	13.7
327.15887	18.8
328.16040	1.2
335.09293	0.8
342.96652	0.9
345.16910	1.5
359.12146	1.1
399.13217	0.7
416.65710	0.7
492.17786	1.8
542.22577	2.3
543.24097	8.0
543.32019	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50484	1.5
62.18052	1.5
70.88509	2.8
85.02894	4.0
91.05471	2.3
94.04144	3.9
98.07649	1.4
103.05450	7.4
104.04357	1.5
105.07012	4.2
107.04939	1.5
115.05423	1.4
119.04923	1.5
120.08087	2.3
121.06485	1.8
122.03620	5.4
122.69148	1.5
131.04921	8.7
133.06496	18.2
135.08055	5.3
137.05971	100.0
137.09586	2.1
145.06409	3.4
147.08009	1.8
151.07524	5.8
163.07521	30.2
165.09206	2.1
175.07550	2.4
177.09175	8.4
181.08621	1.7
189.09109	2.3
201.11221	2.7
203.10753	3.3
221.11705	3.2
245.45189	1.4
263.10605	1.6
267.74496	1.6
295.13290	13.2
327.15793	19.1
425.85431	1.6
542.22461	5.6
543.24426	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	542.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55637	0.3
62.01397	0.3
62.37178	0.3
69.03407	0.4
70.06580	0.5
72.39434	0.3
79.05482	0.4
81.07042	0.3
85.02875	1.1
86.04700	0.3
86.09730	0.3
91.05468	0.6
94.04169	0.9
95.08591	0.4
103.05465	0.4
109.10130	0.3
116.95464	0.3
119.04856	0.5
120.08076	0.3
122.03632	2.6
128.07042	0.8
131.04887	0.6
133.30472	0.3
137.05956	100.0
138.06290	1.7
151.07530	0.3
163.07458	1.8
181.08574	13.3
199.03896	0.9
212.16545	0.3
259.70297	0.3
512.28540	0.3
542.21686	1.0
542.30682	2.0
543.23724	1.0
543.31274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.6
57.07065	33.4
67.05481	1.4
69.07045	4.0
71.08615	27.5
73.06536	8.3
79.05460	1.0
81.07043	2.3
83.04930	1.0
83.08605	2.4
85.10168	21.7
87.04452	5.4
87.08099	4.2
88.07626	0.8
89.06013	100.0
91.05479	1.2
91.07579	0.8
93.07014	2.2
95.08582	1.7
97.10157	3.8
97.74712	0.7
98.23410	2.1
99.11705	4.2
107.07052	3.1
107.72932	0.7
111.11678	1.3
113.13277	1.4
115.07535	0.6
117.09100	6.5
121.10095	0.8
130.08624	1.4
131.07037	0.7
133.08580	48.3
135.10124	1.0
135.11659	0.9
151.07500	0.9
151.09659	0.9
155.17934	2.9
161.11710	1.3
169.08607	1.6
175.09654	1.1
177.11180	19.1
199.18977	0.7
199.20500	4.4
209.51685	0.6
217.13145	0.7
221.13689	3.3
239.14816	1.3
240.23201	0.9
243.23137	8.6
267.12128	1.3
283.17426	1.9
287.25677	4.2
297.16946	2.2
301.20123	0.7
315.52591	0.8
327.20102	1.9
371.22635	5.8
481.37274	0.8
525.39996	7.0
542.40344	3.9
542.54218	1.2
543.20959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25869	0.7
67.94377	0.7
69.18076	3.9
70.93391	0.7
94.87341	0.8
94.93013	1.1
101.54716	0.7
212.85287	0.7
220.38547	0.7
235.47319	0.7
243.68575	0.7
248.89645	1.3
277.34363	0.8
363.06845	3.7
381.07892	17.8
442.85327	1.2
495.92410	0.9
543.13141	100.0
544.13385	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40352	0.4
69.03424	0.6
69.33801	1.9
69.34219	0.7
70.06572	0.4
73.28319	0.4
77.29258	0.4
79.27398	0.4
85.02914	1.2
97.02905	0.6
98.22659	0.8
111.04440	0.5
123.04411	5.4
127.03908	0.5
135.04379	0.6
137.74533	0.4
139.03857	4.1
140.04329	0.5
151.02496	0.4
163.03905	1.4
166.57318	0.4
173.05981	0.5
175.03644	1.7
185.04176	3.0
201.05453	1.4
219.06549	2.2
229.04808	0.5
235.30515	0.4
236.59619	0.4
257.06345	0.5
271.06085	0.6
295.05563	0.5
329.08414	3.4
381.11670	0.7
386.83621	0.4
393.09799	1.5
417.09613	1.7
483.14487	2.0
543.16772	100.0
544.17175	3.7
562.88892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01488	0.2
55.82835	0.2
65.63873	0.3
69.07143	0.3
70.68977	0.5
78.84938	0.2
109.52429	0.2
110.20791	0.2
116.42489	0.3
136.42856	0.2
144.22388	0.3
146.15092	0.3
146.91438	0.2
203.03670	0.2
213.50401	0.3
265.76273	0.3
281.07925	0.4
283.09229	0.2
354.73172	0.3
381.13019	100.0
382.13412	3.2
534.84265	0.3
543.18286	44.5
544.18738	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	543.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28208	0.4
70.73190	0.8
85.02869	0.9
86.09686	0.5
115.03811	0.4
133.04953	0.5
137.05893	0.7
140.22723	0.5
166.19687	0.5
185.04080	1.8
191.38097	0.4
199.03752	0.7
225.01379	0.4
309.09406	0.7
311.54135	0.5
335.09335	1.0
408.72113	0.5
489.79684	0.5
542.29449	0.8
543.17841	100.0
544.18140	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	543.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77715	0.3
69.03437	0.4
71.42531	0.4
84.05476	0.3
88.50527	0.3
97.02850	0.3
98.23267	0.3
107.08578	0.3
126.81690	0.3
185.04224	0.3
203.05281	0.4
213.68576	0.3
223.29900	0.3
289.57526	0.3
363.25058	0.6
381.26080	3.5
500.05936	0.3
543.18280	100.0
543.30536	10.9
544.18652	5.8
544.31158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46613	0.3
69.33887	0.9
69.34281	0.6
71.14794	0.3
98.22725	0.6
113.38040	0.3
177.61700	0.3
178.53366	0.3
219.06512	0.4
249.10959	0.8
264.69861	0.4
317.08386	0.6
329.39117	0.3
335.09357	0.4
411.16150	8.1
473.02869	0.3
543.20331	100.0
544.20587	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	543.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.3
67.05499	3.1
69.03415	4.6
71.04984	39.3
79.05493	2.2
81.03408	2.5
81.07053	2.3
85.02897	3.9
85.06553	6.8
86.09709	1.4
91.05490	2.1
93.07047	1.4
95.04974	2.6
97.02887	5.4
97.06531	1.2
101.20821	1.2
102.41642	1.0
105.07020	1.5
109.02876	1.7
109.10136	1.2
113.06004	6.8
119.08555	2.5
127.03944	2.8
127.07542	18.0
131.07036	10.6
132.04391	2.3
133.05202	1.7
145.04947	2.2
145.08580	100.0
146.05960	2.1
146.08917	1.6
155.07021	2.0
156.04453	1.2
160.03917	16.4
173.08167	2.7
174.05458	5.1
178.04976	3.3
184.03915	3.4
191.09106	7.1
192.06508	10.6
198.05493	1.4
202.04971	15.4
213.18279	1.1
214.17857	1.2
216.06555	4.5
226.04895	2.0
234.07629	8.1
257.10150	1.8
258.07614	4.6
262.92130	1.2
268.06030	3.0
300.08572	1.1
305.07806	1.1
306.47220	1.0
335.13281	1.4
381.09552	3.5
452.15286	2.4
494.16626	14.2
542.30524	1.4
543.15894	1.4
543.22620	2.2
543.31549	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2201
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
51.26618	0.5
55.05518	0.5
66.28693	0.5
67.05512	0.5
68.67576	0.5
69.03443	0.7
70.19408	0.6
70.19730	0.6
73.02895	0.7
81.07056	0.7
84.04479	0.7
84.59663	0.5
85.02914	1.5
86.09725	0.6
93.07040	0.5
95.08603	0.6
97.02921	1.2
98.23357	0.6
98.97598	0.7
105.06996	0.7
109.10114	0.5
115.03976	0.5
119.08575	0.4
127.03970	0.7
137.06012	0.9
147.90567	0.5
185.04271	0.6
194.88852	0.5
199.03905	2.7
200.04266	2.7
201.63776	0.5
213.05473	0.6
245.10318	0.8
267.12146	0.5
289.05350	0.9
331.15448	0.6
335.09357	2.4
411.20056	1.6
414.25507	1.0
542.29608	1.7
543.23108	100.0
544.23108	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	543.241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84819	0.3
55.49443	0.3
58.12067	0.3
60.43565	0.3
69.03413	0.4
70.06590	1.9
71.06905	0.4
78.45625	0.4
84.08158	0.6
85.02900	1.0
86.09713	0.8
97.02869	0.6
107.04947	0.5
107.08602	0.4
109.10141	0.4
120.08114	0.7
121.10183	0.4
137.05971	0.5
137.09680	0.4
151.03941	0.4
156.79747	0.3
157.34819	0.3
213.03130	0.3
317.08411	0.4
335.09555	2.3
341.10367	0.4
346.01581	0.3
411.19867	7.5
411.24768	0.5
523.92719	0.4
543.24237	100.0
544.24438	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	543.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64321	0.3
70.56731	0.7
78.56449	0.4
86.09724	0.5
93.07041	0.4
95.91695	0.3
107.04937	0.4
108.42492	0.3
137.05951	0.9
170.50146	0.4
249.14635	0.4
275.33841	0.3
286.29959	0.4
289.05325	0.4
333.07919	0.6
335.09543	2.5
411.19937	1.1
499.21307	3.3
525.23083	0.6
543.24017	100.0
544.24487	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	543.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16053	0.3
55.52040	0.3
56.94970	0.3
70.06580	1.3
70.74780	0.3
70.92973	0.7
72.08130	0.5
84.08157	0.8
85.02892	0.4
86.09676	0.5
91.05454	0.4
97.02872	0.6
110.44611	0.3
137.09569	0.6
138.10016	0.5
165.09001	0.5
166.09428	0.5
224.71776	0.4
275.07437	0.5
317.08282	0.5
333.08038	1.8
335.09451	2.9
411.19839	4.2
447.01279	0.4
525.23285	0.8
543.24066	100.0
544.15466	0.6
544.24335	4.7
567.60449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08872	0.3
53.96923	0.3
55.99875	0.2
56.80532	0.2
58.53888	0.2
67.05490	1.0
69.03411	0.4
69.07061	0.3
70.06576	0.6
70.87933	0.3
71.04968	0.3
71.44390	0.3
79.05524	0.3
81.03398	0.5
81.07051	0.6
82.03699	0.3
84.08145	0.3
85.02898	0.6
86.09712	0.3
93.07041	0.3
95.08593	0.9
97.02895	0.3
98.48701	0.2
99.04456	0.3
109.02892	0.8
109.10138	1.9
110.10478	0.8
111.04447	0.3
111.08094	0.3
121.10144	0.5
127.03915	0.4
137.09593	2.2
138.09962	1.1
145.05061	0.3
155.03177	0.3
165.09036	1.7
165.50584	0.3
166.09441	1.0
177.05658	0.2
195.13794	0.3
196.14153	0.3
201.11160	0.2
201.18466	0.9
203.05409	0.4
213.14891	0.9
214.15201	0.8
232.80879	0.3
275.07352	0.8
307.84958	0.2
310.13495	0.4
328.14755	0.8
330.04150	0.3
333.07852	1.3
335.09427	5.2
393.81976	0.3
411.19928	2.1
453.75574	0.3
454.17703	0.4
472.18878	0.4
543.24036	100.0
544.24347	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	543.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00745	2.2
55.05497	10.5
57.07061	3.1
57.58535	2.3
58.99578	6.8
65.03921	2.8
67.05493	19.6
69.03407	4.8
69.07050	12.3
76.02216	15.5
79.05467	17.3
81.07032	25.1
83.04932	3.9
83.08598	3.3
84.04490	66.1
85.02870	4.3
86.99049	5.0
91.05477	14.2
93.07040	22.2
95.04965	5.1
95.08575	17.9
97.06505	5.0
97.10173	3.5
102.05502	4.2
105.00077	7.6
105.07011	23.7
107.04939	5.9
107.08583	13.4
109.06497	11.0
109.10140	9.2
117.07012	8.1
119.08568	16.4
121.06483	9.5
121.10159	4.4
122.02702	73.2
123.08086	5.1
127.03813	2.5
129.06870	2.8
130.04987	30.0
131.08562	14.4
133.10121	16.8
135.11711	5.4
142.03198	12.8
142.20619	2.8
143.08546	6.0
145.10100	8.8
147.07951	2.9
147.11664	10.3
149.09554	4.7
151.11203	4.1
157.10095	4.9
159.11670	9.3
161.13240	4.1
163.11180	6.3
173.13216	6.5
175.11145	3.6
183.11792	5.9
188.03737	11.7
197.13341	3.4
207.13713	4.9
219.13857	3.7
233.05817	4.7
234.04291	16.4
251.04222	3.6
251.06909	91.3
257.19028	10.2
275.20023	100.0
291.19351	2.6
292.89810	2.3
293.21036	68.4
352.46204	2.6
543.27484	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3137
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
53.03922	1.0
55.23775	0.8
56.92367	0.8
60.23738	1.0
69.03433	1.1
71.04974	6.6
71.53230	0.9
75.09566	0.8
81.03411	1.5
83.02081	0.7
85.02905	1.5
85.06524	1.7
95.05005	1.0
105.07033	0.8
121.10136	0.9
127.07539	3.2
131.06996	1.1
137.05948	1.8
145.08586	15.5
160.03963	1.3
163.03909	3.0
185.04161	1.6
191.03264	0.9
191.55365	0.9
192.06596	1.3
193.04901	1.6
205.04942	1.8
209.04430	21.9
210.80875	0.8
225.70229	1.1
271.05954	1.1
363.25003	8.3
371.09537	1.3
381.13110	2.5
381.26065	60.4
382.26636	2.5
386.01257	0.9
481.80997	1.0
506.31400	1.0
543.18829	9.5
543.31342	100.0
544.31567	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	543.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.7
56.05023	7.6
57.07082	3.0
61.02923	1.1
67.05510	6.4
69.03412	1.9
69.07066	6.4
71.04993	3.5
71.08640	1.7
78.04260	1.0
79.05485	2.9
81.07047	8.9
83.06094	29.0
83.06578	1.4
83.08634	3.4
84.04493	100.0
85.02911	2.1
85.10186	1.7
91.05478	1.5
93.07060	3.5
95.04954	1.0
95.08582	7.7
97.06538	1.7
97.10176	3.0
101.07128	16.2
101.07793	1.0
102.05527	5.1
104.01293	0.8
105.06972	1.6
106.61163	0.9
107.08563	4.3
109.10151	5.8
111.11721	2.4
112.03958	1.7
121.10165	3.5
123.11730	2.0
124.11219	1.1
125.09640	1.2
128.82198	0.9
129.06578	31.8
130.04987	44.3
130.13193	1.1
133.10135	1.5
135.11732	3.2
138.12811	2.1
140.07741	0.9
145.08531	5.9
146.08972	2.1
147.07628	25.4
149.09578	1.1
149.13283	2.3
152.14389	1.6
166.15996	2.7
205.19566	2.1
207.06551	1.3
213.47226	0.9
215.08690	2.1
222.22270	3.3
251.20110	2.1
268.22675	43.7
286.23715	8.5
287.22321	2.5
306.24213	1.1
318.24429	1.0
328.32852	1.2
334.23871	1.0
336.13943	1.0
336.45947	0.9
351.26517	2.1
352.25076	3.2
361.24829	4.1
379.25848	36.2
380.25671	1.2
381.26056	11.4
381.30301	1.1
396.28784	1.9
397.26920	12.3
414.29559	7.8
415.28217	2.2
501.38095	1.0
507.31693	1.6
508.30621	2.0
525.32599	3.2
526.30927	4.2
543.31573	41.5
544.22552	1.0
544.31842	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	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.1
53.03910	2.3
53.87967	0.6
54.28286	0.6
55.01831	2.8
55.05498	12.2
57.03399	1.8
57.07052	1.6
65.03897	1.9
67.05491	33.0
69.03398	1.6
69.06711	0.7
69.07055	10.2
71.04983	3.3
71.21552	0.9
73.02872	0.7
79.05477	41.8
81.03368	1.9
81.07040	31.7
83.04961	4.3
83.08607	6.3
91.05463	20.6
93.07026	55.2
95.04958	10.2
95.08586	44.1
95.09207	1.7
97.02847	2.7
97.06479	3.0
97.10119	1.5
99.04429	2.9
105.04456	2.1
105.06372	0.9
105.07009	14.7
107.04953	5.7
107.08575	31.5
109.06465	2.4
109.10143	7.4
111.04392	0.8
111.08044	1.1
115.05376	0.9
117.06998	11.6
119.07762	0.9
119.08556	13.6
121.06495	4.2
121.10123	19.8
123.08035	1.0
123.11671	1.1
125.05949	3.0
129.06978	1.1
130.07726	2.1
131.08568	5.4
133.10100	7.7
135.07996	2.3
135.11661	45.8
136.11987	0.8
139.07422	1.5
143.08485	0.7
145.10095	25.5
147.11601	2.9
149.13217	3.6
153.12634	0.6
159.11664	3.4
161.13254	2.0
163.11147	55.1
173.09567	0.8
173.13222	2.4
175.14813	0.8
179.14426	0.9
181.12187	12.5
187.14769	1.4
209.11667	1.4
219.17455	0.8
227.12727	100.0
228.13097	1.9
243.21054	1.4
261.22034	5.8
317.24701	2.2
322.90009	0.7
468.40906	0.8
543.36719	45.1
544.37054	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.6
53.03904	1.7
55.01865	2.7
55.05504	12.5
55.05748	0.6
57.03390	2.2
57.07047	1.3
64.02264	0.6
65.03890	1.8
67.05495	30.3
67.05838	1.2
69.03378	1.6
69.07055	7.7
70.76706	0.7
71.04935	2.5
71.65658	0.5
73.02906	0.8
77.03878	0.7
79.05482	39.7
81.03351	1.3
81.07046	29.1
83.04961	3.4
83.08612	7.1
85.06499	0.7
91.05467	19.2
93.07029	49.7
95.04427	0.7
95.04955	9.5
95.08590	38.6
97.02885	3.4
97.06531	3.5
97.10120	1.2
98.22684	1.1
99.04458	3.4
103.05415	1.1
105.04473	2.4
105.07017	13.4
107.04355	0.6
107.04939	6.5
107.08576	32.6
109.06451	2.2
109.10132	5.6
111.04388	0.8
111.08035	1.5
115.05421	1.1
117.06304	0.7
117.07004	9.9
119.07749	0.9
119.08554	12.4
121.06505	5.6
121.10125	18.5
121.65366	0.5
123.08009	1.2
123.11620	1.5
125.05917	2.4
129.06950	1.0
130.07712	1.7
131.08530	5.1
133.10097	5.0
135.08043	2.8
135.11671	41.4
136.11960	0.6
139.07501	1.3
143.08488	1.0
145.10103	23.9
147.11642	2.0
149.13239	3.1
153.12704	0.9
159.11600	2.1
161.13190	1.9
163.11159	46.3
173.13202	1.7
181.12195	12.3
187.14851	0.9
209.11714	2.1
227.12737	100.0
228.13095	2.3
241.04576	0.6
243.20953	1.4
257.72360	0.6
261.22107	6.6
317.24805	1.2
543.36780	47.3
544.37463	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	544.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37194	0.5
55.76179	0.6
57.03420	1.8
63.02370	0.8
69.03413	1.3
70.06573	2.2
70.71752	0.5
75.10170	0.5
85.02888	0.7
86.09672	0.6
89.03894	7.2
91.05451	1.1
97.02855	1.4
115.03905	3.5
117.03358	23.7
123.04382	0.5
134.03592	2.4
135.04385	1.4
137.05954	1.0
145.02823	70.1
146.03134	1.3
147.04376	1.1
149.05965	8.7
162.03099	7.0
163.03838	1.8
174.03065	1.1
175.03859	2.2
177.05443	100.0
178.05798	1.8
195.59155	0.5
201.05458	0.5
203.07089	0.9
213.12245	0.8
219.06490	14.8
251.09109	84.3
252.09387	2.5
283.93863	0.6
331.61929	0.6
377.12177	1.0
395.13000	0.7
413.14429	3.2
465.74603	0.6
544.24634	4.4
545.19373	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98226	1.5
55.05501	5.6
57.03432	6.2
57.07063	8.7
59.04995	51.1
61.02908	3.9
64.38850	1.8
67.05505	2.9
69.03412	12.2
69.07061	45.8
70.06580	7.3
70.26340	4.1
71.01339	1.9
71.08622	9.8
73.02913	20.2
73.06535	7.9
77.06035	3.6
79.94491	1.5
81.03403	2.4
81.07054	2.4
83.08598	2.3
84.04499	1.8
85.02888	24.0
85.10167	6.0
86.09689	5.3
87.04450	14.7
91.05470	2.6
93.07018	1.9
95.08577	2.1
97.02865	17.0
99.04459	3.1
102.17366	1.7
103.03955	2.8
105.05495	37.4
105.06994	2.1
109.02827	2.4
109.10155	4.2
111.11703	54.2
115.03914	7.0
117.05499	3.4
127.03905	6.8
127.11173	5.0
129.12732	100.0
133.04958	5.7
145.04955	6.7
163.03874	2.3
163.05992	4.5
213.68456	1.7
215.16388	31.0
233.17482	13.4
241.06871	2.4
259.08145	1.8
362.35437	1.7
394.48749	2.0
456.35071	1.9
463.46600	1.8
544.23639	10.2
544.31415	23.9
545.16223	2.4
545.25122	4.1
545.32904	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	544.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.4
57.03421	10.1
57.07056	7.8
67.05496	13.5
69.03432	7.8
69.07053	44.1
69.35517	16.5
70.06565	5.5
71.08631	4.4
81.07037	4.7
83.08597	19.7
85.02904	20.8
85.10175	5.2
86.09688	3.4
87.04482	4.4
91.05516	4.6
95.08627	3.2
97.02901	4.5
97.06513	4.9
97.10155	45.4
98.23465	4.7
105.07047	4.4
109.10139	37.4
111.11699	11.9
112.12244	3.2
115.03922	4.8
115.11169	23.0
124.30759	3.1
125.13269	4.1
127.03908	8.1
127.11173	100.0
128.11476	4.3
129.37663	3.1
133.04926	3.7
137.05984	2.9
145.12227	18.0
163.05983	5.8
185.18976	36.4
233.17432	43.3
238.49641	3.0
329.15790	7.8
544.23914	10.3
544.31470	28.3
545.25958	6.2
545.33099	42.6
551.26489	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	544.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.3
57.03426	5.1
57.07074	9.0
59.04996	67.4
60.06005	1.0
61.02906	1.1
67.05492	2.1
69.03421	18.8
69.06704	2.4
69.07061	33.0
69.07443	1.6
70.06570	3.0
71.08640	5.6
71.98333	1.0
72.08144	1.5
73.02903	3.0
73.06553	9.4
77.06024	3.9
79.05473	2.9
81.03417	1.8
83.08623	1.3
84.04492	4.5
85.02898	15.7
85.10167	3.6
86.09658	1.6
87.04463	18.7
92.22694	1.0
93.07040	1.8
97.02874	14.3
99.04457	1.4
102.05515	3.1
105.05492	31.1
109.02884	2.4
109.10146	3.0
111.11702	36.0
115.03925	11.8
117.05468	1.3
119.08565	1.0
121.06455	1.1
123.06533	1.7
127.03878	2.1
127.11176	3.8
129.12743	100.0
131.08607	1.0
133.04945	9.9
137.09631	1.1
143.08607	1.4
145.04898	2.7
163.03889	2.2
163.05977	1.5
179.04836	2.2
215.16370	9.9
216.16780	1.0
233.17389	9.5
398.92078	1.1
544.23346	3.6
544.31250	5.7
545.25232	9.1
545.32886	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	544.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.9
56.05026	7.6
57.07066	2.3
58.21744	0.6
67.05490	4.0
68.60555	0.6
69.07054	4.0
69.13094	4.2
70.69272	0.6
71.08628	0.9
79.05485	1.3
81.07041	5.4
83.06096	14.9
83.08618	2.9
84.04490	100.0
85.02895	2.0
85.06556	0.6
85.10184	1.3
87.52950	0.6
91.05495	1.1
91.79375	0.5
93.07038	1.7
95.08586	4.7
96.08075	0.7
97.06544	0.7
97.10155	1.7
101.07123	7.5
102.05524	22.2
105.06979	0.7
107.08585	2.4
109.10138	3.1
110.09660	0.7
112.03928	1.0
116.88839	0.6
119.08587	0.8
121.10126	1.9
123.11697	1.5
124.11179	0.6
129.06580	17.2
130.04984	39.2
135.11665	2.5
138.12733	1.1
145.10112	0.6
147.07626	15.4
148.06006	5.4
149.13210	1.5
149.57375	0.6
152.14313	1.3
153.12596	0.7
163.14775	0.7
166.15912	2.0
180.17383	0.7
195.66454	0.6
205.19490	2.4
215.17889	0.7
222.22093	1.7
223.20628	1.7
232.20572	0.9
251.20103	1.2
268.22659	21.0
286.23657	3.0
287.22113	9.9
310.78021	0.6
334.23856	1.1
351.26495	0.8
352.24802	5.4
370.25772	0.9
379.25870	15.4
380.24612	2.1
397.26837	4.6
398.25378	7.5
415.27850	5.1
480.30469	1.0
481.28735	1.4
498.31467	1.8
499.30286	1.1
509.29251	0.8
526.31213	2.3
527.29535	1.1
544.31842	2.7
545.33032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.05506	18.0
56.05022	2.7
57.03175	0.7
57.03434	9.5
57.07069	7.9
57.97136	0.5
63.15010	0.4
67.05498	14.7
69.07059	27.4
69.51461	0.8
69.51823	1.7
70.07368	0.5
71.04972	1.3
71.07361	10.8
71.08616	4.4
79.05480	6.6
81.07047	15.5
83.04967	1.1
83.08607	16.7
85.06502	0.7
85.10168	1.7
86.09694	62.6
91.05474	0.9
91.35830	0.5
93.07030	10.1
95.08595	16.2
97.06514	2.5
97.10152	9.4
99.08060	0.5
104.10727	5.5
107.08577	5.8
109.10126	6.8
111.08068	1.4
111.11683	2.4
121.10129	8.7
123.11689	1.5
124.99986	0.8
125.09628	1.3
135.11673	6.2
139.11154	0.9
146.98157	100.0
149.13260	2.3
163.14822	1.0
164.99182	2.7
188.00806	1.6
191.18050	0.5
205.04843	0.6
240.20218	0.4
247.01656	0.4
247.24234	0.9
265.25317	0.8
268.23056	0.4
339.28900	23.5
340.29288	0.8
361.26962	3.2
435.44608	0.5
441.22946	0.5
485.26328	94.4
486.26678	3.4
544.33661	42.2
545.33752	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	544.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
56.05028	0.5
57.03419	0.5
57.07062	0.9
58.06585	1.0
60.08159	5.2
67.05489	1.7
69.07059	3.2
69.43102	1.2
71.07362	3.5
81.07047	2.0
83.08617	2.2
86.09700	19.1
93.07025	0.9
95.08588	2.2
97.06500	0.4
97.10166	0.6
98.23437	0.6
104.10732	100.0
105.11080	0.3
107.08591	0.6
109.10125	0.7
111.11740	0.5
121.10117	0.5
135.11693	0.6
146.98158	10.7
146.99341	0.6
148.57658	0.3
176.05959	0.4
176.99223	0.6
179.31900	0.3
191.46162	0.4
215.33896	0.4
238.07799	0.3
247.24512	0.3
339.28830	3.1
382.84900	0.3
441.23611	0.7
485.26349	49.4
486.26788	1.7
544.33698	16.1
545.33386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1437
Annotation	7,3',4'-Trihydroxyflavan-(3->O->4,4->O->3)-7,3',4'-trihydroxyflavan
Peak:m/z	Relative Intensity
55.05494	1.2
56.05822	0.7
67.05499	2.3
69.07061	1.0
69.84515	0.5
71.07376	0.9
78.81999	0.5
79.05508	0.6
79.57467	0.5
81.07051	1.7
82.07388	0.7
86.09698	3.3
87.10030	0.7
93.07037	0.7
95.08587	1.2
96.52751	0.6
121.18861	0.5
143.95366	0.6
144.31905	0.6
146.98154	4.7
147.98482	0.7
148.98662	1.5
166.71349	0.5
187.31447	0.6
198.66711	0.6
205.04955	1.0
262.59482	0.6
263.61331	0.5
341.04459	0.6
342.04977	0.7
343.05807	0.7
354.05072	0.6
355.06122	1.7
367.05927	1.9
370.08344	0.6
371.05365	1.5
383.05316	6.0
384.06186	1.1
385.07040	2.5
387.04913	2.0
395.05594	1.0
396.06140	1.1
397.06900	0.8
398.07990	1.5
399.08649	2.5
401.06485	14.7
402.06891	1.1
409.07272	1.4
410.07874	0.7
411.04742	2.1
412.05350	1.0
413.06369	4.7
414.07336	5.3
415.08173	11.3
423.04596	0.6
425.06506	1.8
426.07043	5.1
427.08078	9.8
428.08929	2.8
429.05954	4.9
429.10208	2.6
430.06186	5.9
438.07321	2.1
439.08038	0.6
441.10544	4.0
442.10724	0.9
443.07361	1.1
444.08325	6.5
445.09070	9.4
452.08987	0.7
453.09924	0.7
454.06940	1.3
455.07596	3.0
456.08392	5.3
457.05362	1.5
459.10669	20.4
460.11206	1.9
470.09872	6.0
471.10703	11.1
472.07541	4.5
484.24979	0.6
485.25342	5.0
486.25839	1.0
487.10168	11.0
502.12579	4.9
503.13104	1.0
513.11774	0.9
544.32727	2.1
545.14355	100.0
546.14722	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	545.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14758	1.0
60.90924	0.9
69.72861	2.7
72.04514	1.6
75.01109	1.0
79.05511	1.0
85.02901	1.8
86.52576	1.0
87.00407	0.9
88.02210	1.8
88.20608	0.9
93.07019	1.0
95.08634	1.6
101.16386	0.9
105.07016	1.4
107.08595	1.3
117.93555	0.9
119.08550	1.1
124.72278	1.0
132.04774	1.5
132.59819	1.0
142.08540	1.6
145.08586	1.0
159.05899	1.5
195.21019	1.2
240.92438	1.2
261.12619	11.8
271.06003	5.6
273.09607	1.6
365.13495	5.1
367.15253	1.1
383.13062	17.6
540.79376	1.0
545.19489	100.0
545.32611	41.8
546.19427	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	545.199
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
53.82125	0.3
58.99687	0.4
60.46517	0.4
88.94836	0.3
98.23466	0.7
117.59545	0.4
157.11430	0.4
170.89894	0.3
203.05276	0.7
283.09406	0.5
311.08914	0.8
365.13489	0.8
383.14624	7.4
384.14716	0.5
428.61993	0.4
488.34381	0.4
492.06824	0.4
545.19843	100.0
546.20300	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	545.1988
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
52.73137	0.3
56.31752	0.4
61.47915	0.4
69.76579	0.4
71.03387	0.5
71.59892	0.3
107.04970	0.6
127.25461	0.3
147.04337	0.4
159.09192	0.4
185.04152	0.6
207.02869	0.8
222.05270	0.9
237.07538	3.7
383.14597	2.1
399.12793	0.4
515.18494	0.6
545.19727	100.0
546.20038	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	545.1992
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
67.82585	0.4
69.03417	0.6
70.69489	0.7
81.07027	0.5
95.08602	0.4
97.02848	0.5
107.08619	0.5
110.37175	0.5
116.91908	0.4
137.05919	0.6
139.03838	0.6
230.03743	0.5
241.04727	3.2
335.09485	1.1
365.13562	0.9
383.14600	42.7
384.14993	1.4
515.18329	1.0
530.17194	0.4
545.19745	100.0
546.20190	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	545.1993
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
64.00571	0.3
70.06578	0.9
70.54541	0.9
84.08099	0.3
86.09703	0.6
107.60641	0.4
117.03348	0.6
121.42796	0.3
128.53908	0.4
137.05971	1.0
145.02852	1.0
146.03140	0.5
154.92490	0.4
159.04231	0.5
175.90068	0.4
177.05493	1.3
178.05856	0.6
185.04320	0.5
187.67497	0.4
227.93916	0.4
251.09174	0.6
252.09554	0.8
383.14603	0.7
500.19406	0.5
545.19763	100.0
546.20081	4.6
553.39758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96454	0.3
55.05506	0.6
64.91840	0.3
69.89673	0.7
69.90031	0.4
70.06586	0.6
72.08153	1.3
79.05514	0.3
81.07044	0.4
85.02922	0.7
86.09696	2.6
87.10054	0.4
93.07030	0.4
95.08629	0.4
95.10481	0.3
97.02892	0.3
109.10143	1.0
146.71184	0.3
157.13295	0.3
203.05286	0.3
213.16124	0.4
214.16409	0.4
275.07407	1.2
284.19656	0.6
285.20239	0.4
317.08310	0.4
333.07959	1.4
335.09433	10.8
383.20572	0.8
395.20432	0.6
413.21332	2.5
515.24628	9.9
516.24939	0.3
527.24683	2.6
545.25635	100.0
546.26147	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	545.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96454	0.3
55.05506	0.6
64.91840	0.3
69.89673	0.7
69.90031	0.4
70.06586	0.6
72.08153	1.3
79.05514	0.3
81.07044	0.4
85.02922	0.7
86.09696	2.6
87.10054	0.4
93.07030	0.4
95.08629	0.4
95.10481	0.3
97.02892	0.3
109.10143	1.0
146.71184	0.3
157.13295	0.3
203.05286	0.3
213.16124	0.4
214.16409	0.4
275.07407	1.2
284.19656	0.6
285.20239	0.4
317.08310	0.4
333.07959	1.4
335.09433	10.8
383.20572	0.8
395.20432	0.6
413.21332	2.5
515.24628	9.9
516.24939	0.3
527.24683	2.6
545.25635	100.0
546.26147	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	545.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96454	0.3
55.05506	0.6
64.91840	0.3
69.89673	0.7
69.90031	0.4
70.06586	0.6
72.08153	1.3
79.05514	0.3
81.07044	0.4
85.02922	0.7
86.09696	2.6
87.10054	0.4
93.07030	0.4
95.08629	0.4
95.10481	0.3
97.02892	0.3
109.10143	1.0
146.71184	0.3
157.13295	0.3
203.05286	0.3
213.16124	0.4
214.16409	0.4
275.07407	1.2
284.19656	0.6
285.20239	0.4
317.08310	0.4
333.07959	1.4
335.09433	10.8
383.20572	0.8
395.20432	0.6
413.21332	2.5
515.24628	9.9
516.24939	0.3
527.24683	2.6
545.25635	100.0
546.26147	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	545.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60475	0.4
53.68037	0.3
54.23326	0.3
56.15065	0.4
63.80495	0.4
69.46543	1.4
69.46901	0.7
70.81564	0.4
80.05891	0.3
91.88022	0.4
108.48920	0.3
175.62646	0.4
351.72556	0.5
365.22900	12.4
366.23380	0.4
545.27124	100.0
546.27570	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	545.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.5
56.05030	8.0
56.96544	0.6
57.07078	1.9
57.63474	0.5
67.05489	2.9
69.07070	3.3
71.08627	1.3
79.05482	1.5
81.07047	4.5
82.44006	0.6
83.08605	2.6
84.04495	100.0
85.02903	2.0
85.10139	0.5
91.05449	0.9
93.07043	2.1
95.08609	4.0
95.18105	0.5
97.06522	1.0
97.10133	1.8
98.23496	1.2
102.05531	36.5
104.49987	0.5
105.07000	0.6
107.08591	1.9
109.10152	2.5
121.10143	2.2
123.11699	0.9
124.08675	0.6
125.09702	0.6
130.04987	33.0
135.11684	2.0
138.12808	0.6
139.11163	0.8
144.86266	0.6
148.06027	15.1
149.13261	1.8
152.14288	0.6
166.15996	0.7
180.17590	0.5
181.92197	0.5
197.01266	1.0
205.19450	1.6
215.02324	0.7
222.22221	1.4
223.20410	1.3
241.00276	1.3
251.19936	1.1
259.01337	1.0
268.22672	7.0
269.20865	0.7
287.22134	12.4
328.43015	0.6
331.42380	0.6
352.24835	6.8
370.25879	1.3
380.24249	1.7
397.64059	0.6
398.25357	11.4
398.30432	0.4
433.04517	0.7
459.05948	2.9
461.04456	0.7
481.29126	1.4
499.29858	2.8
527.29596	1.9
538.91388	0.5
545.30627	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	545.3084
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
52.86081	0.8
67.05491	1.4
67.35876	0.8
69.31493	4.7
81.07041	2.1
88.81753	0.9
93.07046	1.2
98.22715	2.1
104.10725	1.2
105.07022	0.9
122.08158	0.9
132.80618	1.0
166.59914	0.8
218.20132	1.0
246.05495	0.9
265.84189	1.0
276.03638	0.8
332.34784	0.9
356.21460	0.9
545.30768	100.0
546.31464	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	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01855	6.5
55.05501	39.6
57.03424	9.6
57.07062	4.7
59.05041	2.9
63.24118	2.8
65.03928	4.5
67.05158	5.3
67.05495	69.8
69.03417	4.9
69.07056	19.8
69.81283	8.4
71.08601	4.1
79.05484	56.3
81.03403	32.7
81.07049	64.8
83.04971	6.6
83.08616	22.4
84.81702	3.1
85.06512	3.9
89.06026	6.2
91.05477	42.7
92.35497	3.0
93.07034	40.2
95.04946	22.3
95.08588	43.1
97.06499	5.0
97.10173	24.6
98.22691	3.2
105.07021	37.8
107.04939	8.9
107.08565	27.2
109.06494	7.4
109.10144	29.3
115.05399	4.1
117.06979	15.1
119.08559	29.7
121.06477	12.8
121.10133	19.3
123.08061	6.4
123.11713	8.6
125.09630	24.9
129.06981	14.3
131.08553	25.0
133.06454	5.7
133.08546	4.2
133.10104	19.9
135.08037	5.3
135.11665	14.3
143.08557	8.4
145.10135	17.3
147.08002	4.7
147.11641	12.0
149.09628	5.3
149.13206	6.8
155.08536	4.1
157.10100	10.9
159.11668	15.7
161.13258	10.0
161.97487	3.9
163.11076	4.7
169.10114	5.9
171.11661	7.2
173.13228	6.6
175.14784	5.9
187.14825	5.7
189.11218	11.9
191.14206	4.4
193.12274	10.2
195.11630	4.1
197.13242	5.1
208.86354	2.9
211.13087	3.5
211.65942	3.2
214.94798	31.7
227.12759	13.3
243.21013	4.6
247.20435	4.9
261.18512	3.8
261.22104	18.4
267.15927	22.6
285.22021	5.1
301.25125	19.6
317.24771	4.0
335.25848	15.5
435.32468	10.9
453.17661	3.6
453.33450	14.1
471.34662	12.3
515.36987	3.8
527.37262	45.0
545.22589	47.9
545.38361	100.0
546.39050	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01862	8.9
55.05504	48.6
57.03431	14.8
57.07055	4.7
59.05005	3.5
60.08149	10.5
60.49041	2.1
62.83154	2.6
65.03944	6.1
67.05494	90.5
69.03403	5.4
69.07059	22.6
71.04980	5.5
71.07352	5.8
79.05481	53.4
81.03406	35.2
81.06561	4.3
81.07042	83.2
83.04967	10.9
83.08609	21.9
85.02914	3.6
85.06544	5.1
86.09692	24.0
91.05474	53.7
93.07038	62.5
95.04950	26.0
95.08596	56.9
97.06522	7.7
97.10155	23.5
98.22591	4.9
98.98457	2.6
104.10731	48.4
105.07012	46.8
107.04940	9.1
107.08571	42.8
107.09241	3.6
109.06539	6.1
109.10146	32.9
111.08050	7.5
117.07001	16.1
119.08562	43.0
121.06470	8.4
121.10124	26.9
123.08042	3.1
123.11687	10.4
124.99994	18.1
125.09624	14.9
128.06206	3.2
129.07016	10.0
130.07770	3.3
131.08537	37.1
133.06474	3.1
133.10104	29.5
135.08046	7.6
135.11639	15.6
137.09599	5.6
137.13307	3.6
143.08560	8.7
145.10101	26.8
147.08093	6.4
147.11649	22.4
149.09622	5.4
149.13281	8.1
155.08548	5.1
157.10085	16.2
159.11653	15.2
161.09712	3.8
161.13251	9.8
163.11169	5.7
163.14842	6.8
165.32626	3.0
169.10115	6.4
171.11734	8.7
173.09647	3.2
173.13139	12.5
175.11160	5.7
175.14861	3.1
183.11725	5.5
184.07304	48.2
185.13251	7.7
187.14798	6.3
189.11192	15.5
189.16469	3.4
193.12260	14.0
195.11792	3.1
197.13243	4.1
199.14815	3.9
211.13115	4.2
211.14917	3.4
213.16376	4.2
227.12787	14.8
243.21088	4.3
247.16924	4.5
261.22134	19.2
267.15860	23.8
285.21918	5.9
301.25159	21.2
317.24466	5.3
335.25555	18.9
359.26169	2.8
431.89484	2.5
435.32639	7.3
453.33292	18.7
471.34683	11.6
472.34833	2.8
473.79980	3.0
527.37299	65.7
528.35565	3.2
545.38293	100.0
546.35303	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01860	6.1
55.05506	41.8
57.03435	10.9
57.07072	4.9
59.04987	1.6
65.03934	4.1
67.05495	78.1
69.03433	3.9
69.07053	18.7
71.01309	1.5
71.05000	3.8
79.05483	49.7
81.03405	29.9
81.07045	73.6
81.17879	1.6
83.04967	9.6
83.08613	23.1
85.02912	2.1
85.06519	4.0
89.06028	2.5
91.05474	41.2
93.06438	2.2
93.07036	44.2
95.04952	25.2
95.08595	50.6
97.06529	5.6
97.10159	23.5
99.08080	2.1
105.04514	2.9
105.07014	37.2
107.04935	8.0
107.08583	36.0
109.06487	6.6
109.10146	31.1
109.54818	1.4
111.08080	7.2
115.05476	2.0
117.07017	17.6
119.08565	36.1
121.06508	10.7
121.10136	19.2
123.08063	5.4
123.11664	11.3
125.09622	19.8
128.06219	3.0
129.06984	11.4
131.08554	32.2
133.06509	3.7
133.08582	1.8
133.10101	20.2
135.08069	7.7
135.11678	14.5
137.09637	3.0
137.13245	2.9
141.07033	2.9
142.07808	2.0
143.08542	11.6
145.06538	3.1
145.10103	20.5
147.07994	6.6
147.11682	14.3
149.09584	6.6
149.13226	9.1
151.11179	1.7
153.09091	1.6
153.12756	2.0
153.37599	1.3
155.08563	5.6
157.10124	10.8
159.07965	2.4
159.11685	18.3
161.09592	2.1
161.13228	9.7
163.11191	4.0
163.14859	2.6
165.09076	1.7
165.12816	1.6
167.08597	1.8
169.10135	5.5
171.11688	8.0
173.11818	2.6
173.13200	12.6
175.11148	6.6
175.14836	4.8
176.29143	1.8
177.12781	1.6
177.16235	1.9
177.85406	1.8
181.10129	3.9
181.12288	1.4
183.11707	5.3
185.13145	7.2
187.11264	1.8
187.14816	5.9
189.11209	12.0
189.16339	2.1
193.12175	11.0
195.11674	1.5
197.13306	2.7
199.14864	5.2
201.16405	3.2
205.15880	1.9
209.13232	1.5
211.13142	2.5
211.14903	2.1
213.16333	3.0
214.94827	3.9
215.14322	1.4
215.17915	1.4
219.17438	1.8
221.13371	1.7
221.15361	2.1
223.14935	1.5
227.12714	18.4
233.15396	2.5
243.15875	1.7
243.21120	3.6
247.16916	2.5
249.14893	2.0
261.19366	2.2
261.22083	18.5
263.16260	1.5
267.15863	29.1
279.23300	4.0
281.21063	1.5
285.22177	4.8
287.20132	2.9
293.21005	1.7
299.23694	4.4
301.21890	3.2
301.25189	25.9
303.23212	3.3
317.24838	4.0
321.20477	2.0
327.23157	1.8
329.20865	1.5
335.25757	23.6
341.24881	1.9
357.27948	2.3
359.25787	4.1
401.26941	1.8
403.24304	2.5
417.31366	2.4
421.25723	3.1
435.27573	3.2
435.32553	9.5
453.33569	17.8
471.34595	13.1
489.35965	2.3
491.35327	2.1
509.36432	2.7
527.37268	59.8
528.37415	5.6
545.22308	5.2
545.38287	100.0
546.38812	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	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42030	1.4
53.03926	3.3
55.01852	7.2
55.05504	39.6
57.03431	11.1
57.07053	5.4
59.04979	1.8
65.03924	4.6
67.05494	68.6
69.03413	6.5
69.07055	18.8
69.89459	3.0
70.42537	1.8
71.04984	5.0
71.08604	5.2
73.06549	1.6
79.05479	50.6
81.03405	31.6
81.03880	1.5
81.07044	73.3
83.04974	6.8
83.08608	21.8
84.08967	1.7
85.06528	4.0
85.10181	2.2
86.65568	1.4
87.04436	1.8
89.06017	8.6
91.05462	37.1
91.06342	1.8
93.07030	56.9
95.04953	27.6
95.08595	47.4
97.06529	5.3
97.10151	25.6
98.23585	1.6
105.07014	39.0
107.04929	8.7
107.08574	31.3
109.06499	6.4
109.10141	26.7
111.08055	5.8
115.05522	1.7
117.06993	15.7
119.08566	29.6
121.06481	16.1
121.10130	22.2
123.08051	5.6
123.11694	10.9
125.09615	19.8
128.06194	2.4
129.06989	11.8
129.32578	1.6
131.08559	26.3
133.08591	6.6
133.10101	22.8
133.11047	2.7
135.08018	8.2
135.11673	15.7
137.09598	3.9
137.13286	2.2
141.07001	1.8
142.07747	1.9
143.08524	10.1
143.10677	1.8
145.06412	2.3
145.10124	21.2
147.08041	6.4
147.11667	16.6
149.09602	8.1
149.13280	4.7
151.11049	1.8
153.12708	1.8
155.08559	3.6
157.10100	10.4
159.11688	12.7
161.09676	2.4
161.13219	10.4
163.11192	4.7
163.14793	2.7
165.09106	2.3
169.10071	3.7
171.11678	6.7
173.09583	1.8
173.13220	11.3
175.11182	5.4
175.14784	6.4
177.11314	3.5
177.12836	2.7
181.10072	2.0
183.11783	3.0
185.09563	1.7
185.13286	6.3
187.11159	2.8
187.13211	1.6
187.14844	5.1
189.11191	13.2
189.12672	2.5
189.16379	2.6
193.12219	15.5
197.13264	3.8
199.14786	4.3
201.16257	2.0
205.12137	1.9
205.15808	2.6
211.13281	6.3
211.15067	2.2
213.16347	2.8
214.94841	7.5
227.12715	15.6
233.15404	3.9
239.03157	1.7
243.15912	2.2
243.21053	4.6
247.17032	3.3
249.14752	2.3
261.22092	19.2
267.15839	23.0
279.23236	2.7
283.24289	3.0
285.22186	4.4
301.25183	21.5
303.22977	1.9
317.24838	3.5
329.21313	2.2
335.25711	20.6
341.24741	2.0
359.25711	2.8
403.24164	2.7
417.26202	2.1
417.31241	3.3
421.25751	2.9
435.27249	3.3
435.32544	9.9
453.33603	14.1
471.34723	13.1
509.36270	2.5
527.37244	59.1
528.37372	2.2
545.22693	11.4
545.38293	100.0
546.38654	3.6
568.91522	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01867	6.6
55.05502	48.0
57.03437	12.2
57.07074	4.4
65.03933	2.5
67.05493	76.1
69.03429	1.7
69.07051	26.9
69.57755	5.6
69.58114	3.0
71.05000	5.4
71.07358	1.9
79.05477	49.7
81.03407	27.4
81.07040	65.9
83.04997	7.7
83.08606	23.7
86.09686	12.8
87.10046	1.8
91.05462	37.0
91.05972	2.6
93.07030	47.6
93.07578	2.8
95.04956	25.9
95.08590	46.0
97.06561	5.9
97.10155	25.0
97.10722	1.8
99.08096	1.7
103.05454	1.9
104.10752	4.0
105.04457	2.0
105.07011	39.3
107.04330	1.4
107.04939	8.6
107.08578	34.3
107.09239	2.4
109.06538	6.0
109.10123	27.5
111.08084	7.3
115.05490	2.7
117.06994	17.3
119.08562	35.1
121.06522	7.0
121.10126	24.3
123.08083	5.7
123.11694	8.6
125.09597	15.1
126.45232	1.6
129.06967	11.2
131.08548	32.6
133.06496	2.3
133.10103	23.1
135.08081	5.0
135.11681	12.0
137.09645	3.3
137.13245	1.9
141.06952	2.3
142.07811	2.3
143.08527	8.3
145.06511	2.2
145.10092	22.8
145.11008	2.0
146.98152	18.1
146.99136	1.6
147.08076	4.0
147.11644	13.5
149.09642	5.2
149.13237	9.7
155.08601	5.9
157.10123	14.6
159.08087	3.2
159.11678	13.6
161.09656	2.4
161.13313	7.7
163.11217	2.9
163.14896	3.8
169.10130	4.0
171.10347	1.7
171.11723	6.0
173.09756	2.1
173.13216	10.7
175.11246	5.2
175.14845	6.0
181.10204	2.4
183.11781	3.1
185.13322	6.5
187.11426	2.0
187.13385	2.0
187.14894	7.1
189.11198	11.5
189.12639	1.6
189.16493	2.0
193.12149	8.9
195.11768	3.2
197.13368	3.0
199.14897	4.7
201.12712	1.9
201.16472	1.8
209.13412	2.2
213.12807	2.5
213.16437	3.6
216.48079	1.9
227.12660	14.7
243.21162	2.8
247.17140	2.8
251.16386	2.4
261.22110	15.9
261.24573	1.7
267.15833	27.6
267.18231	1.7
275.20270	2.0
277.21576	1.8
279.23337	2.9
285.22195	4.7
301.25204	19.9
303.23349	4.9
315.23331	2.0
317.24847	5.1
335.22131	2.6
335.25778	16.6
340.29404	4.3
341.01657	1.6
345.68646	1.7
357.27646	2.2
359.25671	2.1
361.24011	2.0
369.45789	1.9
373.27606	2.0
417.32053	2.6
421.26105	4.5
434.72452	1.7
435.27664	3.6
435.32886	9.5
453.33594	19.0
471.34637	13.5
486.26553	16.3
509.36078	4.1
527.37286	59.2
528.37506	3.2
545.38562	100.0
546.38965	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	546.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38115	0.4
53.03943	0.8
55.05474	0.4
57.03430	0.5
58.04269	0.3
67.05499	0.8
69.03415	2.6
71.04984	40.3
71.25891	0.6
72.05327	0.5
80.44209	0.4
81.03404	2.7
81.30323	0.4
85.02892	2.5
85.06532	6.9
85.28928	0.4
95.04939	1.8
97.02892	3.6
99.04416	0.5
108.04464	0.4
109.02878	2.8
113.05990	6.2
117.03357	0.8
127.03902	2.7
127.07537	18.7
127.13333	0.4
131.07024	10.1
133.10054	0.4
141.05470	0.9
144.96848	0.4
145.02823	2.8
145.08577	100.0
146.08914	1.1
155.06984	1.0
173.08067	1.5
177.05464	7.5
185.08011	0.5
185.66016	0.4
187.05995	0.6
191.09122	6.1
212.01074	0.5
257.10162	1.7
275.11188	0.7
299.11185	1.0
317.12341	2.0
335.13293	1.7
527.76135	0.4
546.20294	0.6
546.32568	0.9
547.30298	2.2
548.83197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.9
57.03414	0.9
59.04990	2.6
59.95765	0.7
65.86717	0.6
67.05499	1.6
69.03420	2.5
69.07066	2.2
70.06570	1.2
71.04983	36.4
71.20106	0.9
72.05300	0.7
73.02906	0.8
79.05488	1.2
79.85490	0.6
81.03397	2.9
81.07041	0.9
85.02911	4.2
85.06524	7.3
86.09683	1.3
91.05499	1.2
95.04958	1.4
95.08645	1.1
97.02896	4.3
99.04427	1.0
105.07030	1.5
109.02848	2.3
113.05993	4.8
115.03873	0.8
116.10678	0.7
117.09142	1.1
119.08585	0.8
127.03899	3.2
127.07536	17.7
129.10275	0.8
131.07037	7.5
137.05963	0.9
141.05515	0.8
143.08566	1.0
143.50972	0.7
145.02815	2.5
145.04939	1.8
145.08578	100.0
146.08928	1.2
151.07512	0.7
157.10135	1.0
161.15178	0.7
164.83484	0.7
173.08060	1.2
177.05403	5.1
191.09116	4.9
199.14757	1.3
201.93053	0.6
217.15900	1.8
217.54974	0.8
253.95940	0.8
257.10272	1.2
299.11014	1.1
317.12161	1.7
325.80374	0.7
545.32831	2.7
546.25659	5.5
546.33130	12.0
547.34308	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	546.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.58104	0.3
57.03431	0.5
61.90172	0.4
67.05492	1.0
69.03421	3.1
69.87843	0.4
69.88174	1.1
70.06561	0.6
71.04980	32.4
73.88550	0.3
81.03394	1.6
85.02885	2.6
85.06526	5.5
89.03917	0.5
93.07064	0.5
94.80995	0.4
95.04946	1.4
97.02879	2.5
99.04461	0.7
100.11231	1.2
103.07552	0.6
109.02857	0.9
113.05997	5.8
115.03921	0.4
116.07021	0.4
117.03346	2.0
127.03887	2.6
127.07531	16.7
131.04919	0.4
131.07019	6.7
135.04381	0.4
137.06035	0.4
145.02853	4.4
145.08574	100.0
146.08899	1.5
149.05946	0.8
155.07016	0.8
163.03821	0.5
173.08070	1.5
177.05437	8.6
191.09120	5.1
195.06522	1.5
210.14877	0.8
241.99988	0.4
257.10107	0.6
275.11230	1.0
317.12253	0.7
335.13315	5.0
368.15308	0.7
384.14963	1.9
385.16171	0.8
419.94427	0.4
545.33276	1.6
545.84631	1.2
546.20087	12.8
546.33020	4.5
547.21375	2.2
547.34198	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89297	0.3
53.03933	0.5
55.01900	0.3
57.03421	0.5
67.05487	0.5
67.33121	0.3
69.03423	2.2
70.55663	0.7
71.04983	37.8
81.03418	2.5
83.06878	0.3
85.02892	2.7
85.06528	6.5
85.06994	0.7
85.50444	0.3
95.04941	1.4
97.02879	3.3
99.04444	0.7
103.07552	0.7
108.04434	0.6
109.02855	2.8
113.05984	6.8
127.03902	2.9
127.07539	18.2
131.07027	8.0
137.05960	1.6
141.05489	0.5
145.04953	1.7
145.08575	100.0
146.08902	1.1
155.07028	1.0
173.08084	1.5
185.08040	0.9
187.06000	0.4
191.09090	6.9
191.10658	0.5
229.45299	0.4
257.10107	2.1
275.11166	1.0
299.11261	1.1
317.12109	1.7
335.13348	2.4
371.95248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.7
56.21846	6.9
58.64059	7.0
58.92519	6.8
67.05499	21.3
67.99107	6.9
69.07047	15.8
70.04259	22.1
79.05463	13.3
81.03429	7.1
81.07061	18.3
85.02950	10.3
88.29118	6.7
90.38179	6.6
91.05482	22.8
93.07030	14.4
95.04975	7.9
95.08570	8.8
105.07028	14.8
107.08575	14.7
109.06531	11.1
111.08128	8.0
112.94007	6.7
119.08571	13.2
121.10163	11.6
131.08533	12.0
133.10117	14.8
145.10066	10.3
145.32813	8.7
147.11667	10.2
165.32205	6.9
211.13194	11.4
239.93027	7.6
275.20047	54.0
283.15268	11.6
286.40616	8.9
293.87012	7.5
349.23642	100.0
367.24710	29.3
396.10938	9.4
433.48087	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	546.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.8
58.06591	1.6
60.07868	1.6
60.08156	16.2
67.05498	4.5
69.50185	1.8
69.50599	2.1
71.07371	7.5
79.05488	3.0
81.07026	4.1
86.09693	50.5
88.02216	2.5
91.05478	2.4
93.07046	3.1
95.04943	1.2
95.08603	3.5
98.23477	1.3
98.98454	4.2
104.10729	100.0
105.07033	1.7
107.08592	1.9
109.10147	1.5
116.05278	2.0
119.08563	1.1
121.10155	1.1
124.99990	27.6
131.08554	1.1
143.08647	0.8
145.10091	0.9
162.21033	0.8
163.01556	1.0
184.07318	99.0
411.51974	0.9
528.34393	6.2
537.04767	1.0
540.98279	0.8
546.35248	19.6
547.35864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.6
60.08155	5.5
67.05488	0.5
69.77982	0.5
69.78352	0.5
71.07364	3.5
79.05481	0.8
81.07040	0.5
86.09696	30.4
89.06005	0.5
91.05480	0.3
93.07037	0.6
95.08604	0.6
97.02872	0.8
98.22713	0.4
98.98469	2.9
104.10742	3.2
111.95646	0.3
112.45578	0.3
116.05296	0.7
124.99991	21.7
151.65085	0.3
172.95296	0.4
184.07323	100.0
185.07721	0.4
197.06015	0.3
228.23111	0.7
256.26373	0.5
318.46143	0.4
390.29810	0.3
454.82870	0.4
456.86145	0.4
475.57761	0.3
528.34357	0.8
546.35254	1.6
570.25763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77430	1.7
55.05499	6.9
55.17975	1.6
56.41560	1.7
57.03434	3.6
57.07053	3.0
61.02920	11.3
67.05161	3.3
67.05495	45.4
69.03405	3.8
69.07047	9.2
69.30385	5.4
69.30775	3.9
73.02878	2.0
79.05480	33.1
81.07043	50.9
83.08613	5.4
85.02894	11.0
85.06548	2.4
91.03942	7.1
91.05463	16.0
93.07030	39.3
95.04954	2.8
95.08592	42.8
97.02881	8.4
97.06525	2.9
97.10144	3.2
105.07006	14.2
107.08581	25.8
109.06627	2.7
109.10145	27.2
117.07014	6.0
119.08549	13.8
121.10126	26.0
123.08083	2.4
123.11684	16.8
127.11129	2.1
131.08551	14.6
133.10094	11.5
135.11679	22.2
137.13248	6.8
140.85542	1.8
145.04918	1.9
145.10081	13.1
145.54965	1.8
147.11668	10.3
149.13239	18.9
151.14786	2.7
159.11652	11.6
161.13181	10.8
163.14790	14.4
165.12689	2.6
173.13229	13.6
175.14749	4.4
177.12709	3.0
177.16377	6.8
187.14833	10.1
205.16014	2.1
241.69220	2.3
243.21048	36.2
259.95935	1.9
261.22092	100.0
262.22476	3.2
279.23224	4.5
280.88507	2.0
300.09464	2.2
335.25742	17.1
341.26111	2.0
353.26770	28.3
382.49808	2.1
413.74554	1.9
433.36487	2.2
456.56735	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	546.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.4
57.03446	3.9
57.07072	4.4
61.02934	5.9
62.92191	3.8
65.61564	3.8
67.05502	45.1
69.07079	9.1
75.04477	4.2
79.05491	24.2
81.07048	53.8
83.08620	10.0
85.02943	9.0
91.05469	18.3
93.07033	33.3
95.08599	45.8
98.22675	7.1
105.07031	11.9
107.08591	29.0
109.10165	27.2
117.07038	7.4
119.08592	9.0
121.10130	27.4
123.11706	18.9
131.08586	12.3
133.10127	12.6
135.11662	24.2
137.13266	8.1
145.10123	10.7
147.11603	7.5
149.09416	4.9
149.13254	15.4
159.11696	11.8
161.13260	11.5
163.14821	15.1
168.89861	4.2
173.13264	10.9
187.14807	8.9
194.27499	3.6
205.05074	6.7
243.21011	29.8
261.22092	100.0
262.22620	3.9
279.23438	6.0
335.25760	30.1
341.51218	4.2
353.26761	25.4
390.73383	4.4
498.32184	4.2
546.14612	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	547.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.6
69.27126	3.1
70.06575	1.3
72.08123	1.4
84.04469	0.8
85.02884	1.5
86.09673	2.0
97.02875	0.7
98.23514	0.9
105.04470	0.5
107.04873	0.7
120.35638	0.6
121.06397	0.7
165.09099	1.0
185.04185	2.5
223.09380	100.0
224.09756	1.6
245.44778	0.7
250.40610	0.6
312.33795	0.6
325.12634	1.1
373.79636	0.6
385.14642	88.0
386.14850	2.1
441.40115	0.6
547.19763	57.8
548.20422	2.2
568.87500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07254	0.8
53.03918	1.2
61.02907	2.2
65.03922	1.5
67.05497	2.2
69.03416	2.4
69.15469	1.3
69.15878	3.2
71.04984	40.4
73.02898	0.7
76.51258	0.7
79.05481	3.0
81.03400	3.2
85.02882	4.0
85.06532	7.1
91.05481	0.8
93.03395	2.3
95.04961	2.4
97.02873	4.1
98.97585	1.1
99.04474	1.6
107.04936	6.6
109.02863	2.5
110.03645	4.7
111.04419	2.5
113.05981	6.8
121.06487	2.8
122.03626	1.1
125.05977	21.9
127.03892	3.0
127.07534	18.0
131.07031	8.3
133.02835	3.3
135.04410	6.7
137.06003	2.0
145.08578	100.0
146.08942	1.4
149.05994	5.6
150.03082	2.2
151.03891	26.5
151.04948	1.5
153.05420	4.0
163.03906	2.2
165.05450	13.0
167.07045	6.8
177.05420	8.1
191.09235	3.8
195.06523	8.5
205.12221	3.5
213.07550	56.9
214.07915	0.9
223.13229	1.0
257.10123	1.1
258.97964	0.7
274.38641	0.7
299.11182	1.3
317.12399	1.3
415.19751	1.2
547.25568	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	547.2147
Annotation	Bistratamide E
Peak:m/z	Relative Intensity
53.03922	0.4
54.78990	0.3
64.47002	0.3
65.27931	0.3
67.05495	0.6
69.03418	2.5
69.17593	0.6
69.17995	1.4
71.04982	45.9
72.05312	8.0
77.07990	0.3
81.03403	3.0
82.03739	0.7
85.02887	2.5
85.06532	6.4
86.03234	0.4
86.06855	1.7
95.04952	1.6
96.05276	0.4
97.02878	3.5
98.03227	1.2
98.22659	0.4
99.04461	0.6
99.66496	0.3
103.07572	1.0
108.04498	0.3
109.02864	3.1
110.03183	0.9
113.05993	6.4
113.06737	0.6
114.06312	2.3
115.03869	0.5
117.03383	0.7
117.72231	0.3
118.03751	0.5
127.03895	3.3
127.07537	16.7
128.04256	0.8
128.07877	7.4
131.07018	8.8
132.07356	2.4
137.05939	0.3
139.70224	0.3
145.02864	2.1
145.08574	100.0
146.03154	1.5
146.08914	41.9
147.09059	0.7
149.05956	0.4
155.07059	0.8
173.08035	2.0
174.08466	0.9
177.05444	5.6
178.05791	3.8
185.08147	0.8
187.06076	0.7
191.09123	6.0
191.10677	0.5
192.09451	3.6
205.04982	0.7
257.10168	0.7
258.10461	1.0
265.43768	0.3
271.05960	1.7
278.80066	0.4
299.11334	0.6
300.11609	0.9
317.12390	1.1
318.12714	1.4
335.13583	0.8
336.13773	1.3
367.15219	1.7
385.16370	1.9
516.38074	0.3
547.21503	21.8
547.33856	2.0
548.21710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2151
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
55.31244	0.3
69.03423	0.4
69.29484	1.7
70.06571	0.4
72.08150	0.4
82.03732	0.3
84.64143	0.3
96.10556	0.3
107.85145	0.3
127.03905	0.5
137.05937	1.1
147.91177	0.3
159.04158	3.5
179.07030	1.4
180.07448	0.7
185.04128	0.8
223.09479	0.7
347.09418	1.1
385.15961	2.0
547.21429	100.0
548.21899	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	547.2149
Annotation	Bistratamide E
Peak:m/z	Relative Intensity
51.75842	0.2
53.43684	0.2
69.37608	1.3
82.85964	0.2
89.60702	0.3
97.46873	0.3
101.96282	0.2
119.18904	0.3
136.54645	0.3
137.05893	0.4
154.44713	0.3
300.23062	0.3
310.99033	0.3
316.07739	0.3
367.15192	1.9
383.14594	0.4
385.16150	100.0
386.16531	3.7
401.15417	0.3
416.55798	0.3
539.25983	0.3
547.21466	48.9
548.21838	2.4
555.44299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2145
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
56.88138	0.3
61.50448	0.3
64.74489	0.3
68.41003	0.3
70.68987	0.5
77.61066	0.3
180.61086	0.3
184.81937	0.3
203.05278	0.6
205.04993	0.3
275.54721	0.3
328.27731	0.3
367.15121	17.5
368.15652	0.4
385.16098	4.2
458.61374	0.4
470.13480	0.3
486.84763	0.3
547.21423	100.0
548.21704	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	547.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93428	0.8
51.34526	0.7
57.15969	0.8
58.01497	0.7
60.06952	0.8
68.29990	0.7
69.45741	3.8
75.37724	0.7
97.02850	0.8
98.23428	1.7
139.60526	0.7
234.83034	0.8
243.53731	0.8
277.43320	0.8
371.31555	0.8
547.30542	100.0
548.30969	5.3
552.30450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93428	0.8
51.34526	0.7
57.15969	0.8
58.01497	0.7
60.06952	0.8
68.29990	0.7
69.45741	3.8
75.37724	0.7
97.02850	0.8
98.23428	1.7
139.60526	0.7
234.83034	0.8
243.53731	0.8
277.43320	0.8
371.31555	0.8
547.30542	100.0
548.30969	5.3
552.30450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59340	1.0
67.05490	1.2
70.05849	1.6
70.06186	1.5
71.22604	1.0
81.07073	1.1
98.23393	1.9
105.07073	1.2
118.40402	1.1
225.73875	1.0
267.92841	1.2
459.22250	1.6
547.32666	100.0
548.32819	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	547.3242
Annotation	Westiellamide
Peak:m/z	Relative Intensity
53.52007	1.7
55.05523	1.5
79.05473	2.0
93.07054	4.2
95.08619	2.0
107.08640	2.3
119.08646	2.3
133.02876	7.4
165.05479	2.6
184.07603	3.2
202.08612	3.3
203.08980	2.8
213.07393	8.4
227.05405	2.0
337.24146	3.4
357.11493	28.6
367.25461	2.3
397.26355	4.9
521.60535	1.9
546.39355	1.9
547.20044	11.6
547.32574	100.0
548.33392	2.5
571.92279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58180	0.2
55.05508	0.2
67.05492	0.4
69.03421	0.3
69.95602	0.5
69.95969	0.4
71.04964	0.5
74.93308	0.2
79.05531	0.3
81.03421	0.2
81.07066	0.4
81.98023	0.2
85.02879	0.5
91.05476	0.4
93.07016	0.2
95.08591	0.3
97.02901	0.4
104.42775	0.2
105.07038	0.5
107.08619	0.2
119.08578	0.3
127.07526	0.4
131.07057	0.2
133.10143	0.4
135.04431	0.3
145.08560	1.3
152.95818	0.2
163.03891	1.1
174.94475	0.2
367.28149	0.6
439.99887	0.2
487.18228	0.4
529.33289	0.5
547.34436	100.0
548.34833	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	547.345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05485	0.2
67.05496	0.4
67.87463	0.3
69.03428	0.3
70.73249	0.5
71.04974	0.3
77.09837	0.2
79.05477	0.4
80.62971	0.3
81.07034	0.4
85.02899	0.4
85.06516	0.3
95.04951	0.3
95.08569	0.3
97.02856	0.4
105.07018	0.5
109.10139	0.5
117.07002	0.3
119.08575	0.3
124.39464	0.3
145.08562	0.3
147.11755	0.3
154.51228	0.3
163.03925	0.4
203.05370	0.4
243.72571	0.3
252.32446	0.3
367.28146	0.5
385.29208	0.7
387.19864	1.4
529.33160	0.6
547.34436	100.0
548.34845	8.5
568.29413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
93.07024	0.5
94.83413	0.4
95.08607	0.5
123.08041	0.4
149.09612	0.5
153.05292	0.4
161.05980	0.4
167.07047	0.5
185.54556	0.4
204.15575	0.4
205.04950	0.7
213.07356	1.3
219.17493	0.5
221.39011	0.4
237.18420	0.9
341.12152	0.5
357.11688	0.8
364.70206	0.4
488.15335	0.9
547.35114	1.4
548.17310	100.0
549.17474	5.9
549.33484	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06667	0.5
53.02715	0.4
53.03934	0.4
55.05492	0.8
61.02897	0.4
67.05490	0.9
69.03410	2.2
71.04984	31.9
73.02904	0.6
76.85027	0.5
76.90569	0.4
81.03403	2.2
85.02888	2.4
85.06530	5.1
93.07048	0.7
95.04955	1.4
97.02881	2.9
97.12781	0.4
99.04464	0.8
99.08111	0.5
103.07569	0.6
105.06985	0.5
108.04507	0.9
109.02865	3.1
109.10165	0.5
113.05985	6.7
119.08573	0.7
121.10087	0.4
127.03893	2.4
127.07539	16.7
131.07022	9.3
137.05998	0.7
145.04895	1.3
145.08577	100.0
146.08925	0.9
147.04453	0.4
167.07016	0.6
173.08075	1.7
185.08145	0.6
191.07460	0.8
191.09119	7.0
210.14917	0.5
219.17441	0.5
224.76660	0.5
237.18437	0.5
255.06435	1.1
257.10147	1.6
275.11334	1.1
295.09656	0.5
299.11145	1.1
317.12265	1.9
335.13266	1.9
454.82080	0.5
492.66385	0.4
547.34460	4.7
548.21863	4.6
548.34747	9.1
549.15973	0.6
549.23364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27556	1.3
55.05503	6.8
56.05035	6.9
57.03426	1.7
60.03063	1.5
60.04520	16.7
61.01398	1.3
63.37960	1.6
69.07059	7.9
70.06567	2.2
70.56495	2.7
72.08149	82.9
74.06075	35.5
82.54289	1.5
84.04500	3.4
84.08141	2.2
86.09698	74.0
87.10055	1.5
89.08393	1.4
98.06046	3.6
99.05566	1.4
101.07137	2.9
112.11234	4.1
113.14532	1.4
114.09159	100.0
116.07063	6.9
119.16202	1.4
125.07093	9.0
137.06003	3.9
142.08623	48.8
142.17259	1.3
143.08177	7.8
153.06573	5.0
161.09288	3.1
169.09721	5.8
171.07654	10.3
171.08908	2.4
187.14398	10.3
189.08714	1.9
201.12448	1.9
211.10757	16.7
215.13924	3.4
219.13434	5.4
224.09807	2.4
229.11870	3.9
238.15474	4.2
266.14981	4.8
268.12833	3.1
275.98096	1.6
276.13507	2.3
284.16083	9.4
286.14014	2.9
293.62515	1.7
294.14447	33.4
302.17102	4.1
312.15497	76.2
313.15616	2.0
330.16553	17.1
371.19235	4.1
379.23495	3.6
385.14456	2.2
386.14661	3.2
389.20700	1.8
397.24042	2.2
407.22284	3.7
425.23831	20.7
512.26550	1.7
548.18964	11.1
549.15723	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07800	11.4
53.48843	12.6
53.75816	12.6
54.80786	13.8
57.03428	22.2
67.05493	40.7
79.05476	44.3
79.09438	13.0
81.07052	67.4
91.05452	43.7
93.07037	69.7
94.13589	11.9
95.08598	41.3
98.22687	25.4
105.07018	30.6
106.36569	14.1
107.08556	34.1
109.10107	24.3
116.01071	12.8
116.89861	12.7
117.06985	12.7
119.08559	40.5
121.10119	37.5
129.62868	11.9
131.08519	13.6
133.10088	22.7
135.11694	24.8
145.10043	18.9
147.11723	18.8
148.47188	11.9
159.11708	19.9
185.00911	12.3
259.20526	28.4
277.21588	21.5
351.25171	100.0
380.40012	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	548.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
56.05039	2.7
58.06598	2.0
60.08158	19.2
62.04883	0.8
63.22298	0.7
67.05503	3.0
69.07058	1.6
69.15345	4.5
71.07369	8.5
77.62277	0.9
79.05501	1.5
81.07051	1.8
86.09698	55.6
93.07036	1.3
95.08600	2.6
98.98472	3.7
104.10735	100.0
104.16320	0.8
108.37706	0.9
109.10120	1.0
124.99992	29.5
130.59529	0.8
172.95180	0.8
180.57802	0.8
184.07329	98.7
365.30524	1.3
442.14102	0.9
448.77744	0.8
530.36072	8.3
548.28943	1.6
548.37097	23.5
549.37073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.7
57.03418	4.1
57.07056	9.7
61.02927	5.6
67.05495	48.4
69.07068	15.3
71.08607	6.6
79.05476	13.0
81.07046	63.1
83.08607	15.2
85.02879	7.6
85.10156	4.1
85.25623	2.8
91.03937	5.7
91.05464	14.5
93.07030	17.5
95.08593	52.5
97.02843	5.0
97.06498	4.8
97.10153	10.5
100.91581	3.3
103.73796	3.1
105.06990	8.7
107.08573	11.3
109.10120	27.4
111.08057	3.8
116.12791	3.5
119.08546	12.0
121.10117	14.0
123.11698	17.3
133.10107	11.1
135.11655	12.1
136.35753	3.5
137.13197	8.1
141.12709	5.7
147.11638	8.6
149.13231	9.1
151.14796	8.6
155.14236	3.2
161.13210	14.9
163.14784	10.8
165.16368	9.8
175.14803	12.4
179.17908	9.7
180.66353	3.5
245.22604	60.9
263.23666	100.0
275.86481	3.4
335.25815	4.9
337.27292	45.0
355.28152	4.7
543.21344	3.9
543.77704	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	548.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47466	3.2
50.85984	3.3
55.05502	16.2
57.03402	4.3
57.07054	8.6
61.02905	11.4
65.77606	3.0
67.05492	65.2
68.24801	3.4
69.07053	21.4
71.08611	6.7
71.45284	3.1
79.05488	23.6
81.07044	77.9
83.08602	23.1
85.02876	8.5
91.03954	4.9
91.05454	19.9
93.07005	23.6
95.01251	3.8
95.08583	61.3
97.02883	5.3
97.06496	7.1
97.10142	13.3
105.06991	6.8
107.08580	18.3
109.10130	39.3
111.08047	6.3
111.11674	4.9
113.09677	4.0
119.08549	12.6
121.10117	23.0
123.11684	20.3
125.09666	6.0
127.03950	3.5
133.10094	12.9
135.11662	19.7
137.13240	10.5
144.50056	3.7
147.11670	9.6
149.13226	12.5
151.11118	4.2
151.14801	9.8
155.14290	6.4
161.13225	15.0
163.14790	11.6
165.16357	14.7
167.18123	3.4
168.71292	3.3
172.95139	4.8
175.14812	8.1
177.16379	4.3
179.17888	5.0
189.16345	7.8
203.17955	3.5
245.22595	80.8
263.23679	100.0
266.68008	3.4
274.74255	3.7
283.79297	3.9
337.27328	73.5
355.28616	6.9
500.03311	3.9
548.38696	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	549.1235
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
69.03384	0.3
69.08670	0.7
73.02901	0.1
75.71735	0.1
81.07004	0.2
85.02867	0.4
87.00823	0.1
87.04418	0.2
91.05447	0.2
93.06996	0.2
94.04139	0.1
95.04951	0.1
97.02849	0.4
98.22685	0.2
103.05431	0.2
105.06998	0.2
106.42759	0.1
107.19482	0.1
112.83855	0.1
115.03870	0.2
115.05400	0.1
117.06966	0.2
119.04864	0.1
119.08581	0.2
122.03585	0.4
127.03873	0.2
131.04881	0.2
133.04938	0.2
133.06482	0.1
137.05956	5.8
143.04843	0.2
145.06451	0.1
147.04349	0.1
149.05931	0.3
151.03857	0.9
153.01799	0.7
153.05438	0.1
158.35410	0.1
161.05928	0.1
161.09514	0.1
163.07465	0.2
167.06998	0.8
173.05956	0.1
175.03900	0.1
181.04926	1.1
181.08322	0.1
188.38615	0.1
189.09082	0.1
191.07005	1.0
205.08495	0.1
229.04877	0.3
233.08086	0.1
235.09596	0.2
241.50983	0.1
257.04523	0.2
258.05197	14.9
259.05536	0.3
271.05975	0.4
286.04669	35.2
287.05014	0.8
301.07016	100.0
302.07361	2.9
348.58197	0.1
357.13315	0.9
369.13174	0.1
387.14255	0.6
445.20456	0.2
463.12250	1.5
505.13507	0.2
517.18597	0.2
531.11530	0.3
548.35358	0.6
548.86566	0.2
549.12134	2.2
549.19720	1.9
549.24518	0.3
550.12415	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	549.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52684	0.2
65.03914	0.8
69.25359	1.2
74.96055	0.2
77.10755	0.2
91.05457	1.3
93.03392	0.4
95.04982	0.4
98.23511	0.4
98.83067	0.2
103.05473	0.4
105.07009	0.8
105.99990	0.2
107.04924	0.3
110.03632	0.4
111.04411	0.6
115.05390	0.3
119.04936	0.8
121.06495	0.5
125.02099	0.4
125.06003	0.8
129.06969	0.4
131.04874	0.2
133.06483	0.4
137.05956	0.8
145.06506	0.3
147.04382	0.6
149.05951	0.3
151.07491	0.5
153.05428	2.8
161.05948	0.6
167.07018	1.6
169.04671	0.6
172.05376	0.3
174.06743	0.6
175.07538	0.6
177.05507	0.3
179.06969	0.3
185.05914	0.3
187.07553	0.7
199.07571	0.3
209.08017	0.4
213.07306	2.8
215.03130	3.9
216.07739	0.3
217.08659	0.3
219.08113	0.4
229.08585	0.5
251.10643	0.6
258.05283	0.3
261.09128	0.3
263.06873	0.2
264.07727	0.6
265.08414	0.2
278.09485	0.3
279.10123	0.3
286.04675	0.9
294.67874	0.2
297.09491	0.6
301.06979	2.7
307.09671	1.8
308.10233	0.3
321.11014	0.2
339.12344	2.1
340.13226	0.7
352.12921	0.3
357.11493	7.4
358.11935	0.3
361.27191	0.2
368.15671	0.4
369.15634	0.6
387.17007	0.3
419.09674	0.6
489.13376	1.2
492.04788	0.2
503.15247	0.2
548.21588	0.8
548.34875	0.5
549.15643	100.0
549.22040	4.3
550.15973	5.6
550.23724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1575
Annotation	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
Peak:m/z	Relative Intensity
57.03412	0.5
58.22773	0.5
62.75517	0.5
67.05499	0.6
79.05499	0.8
81.07043	0.9
91.05435	0.7
93.07028	0.8
98.06083	0.5
105.07018	0.7
109.74073	0.4
119.08617	0.5
125.01998	0.6
137.05936	1.2
161.05931	0.6
167.06961	0.8
213.07260	1.8
215.03087	1.1
305.11163	0.6
357.11487	3.1
489.13785	0.7
548.22278	1.1
548.34436	2.6
549.15607	100.0
549.22113	5.8
550.15875	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	549.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80257	0.4
56.05025	0.7
58.17429	0.4
59.58805	0.5
68.07690	0.4
69.03429	0.4
69.40355	0.4
84.04516	0.5
84.08116	0.5
86.09723	1.2
95.08604	1.3
104.05337	0.7
127.08718	1.2
137.05965	3.9
140.07126	0.4
149.09615	0.5
167.07129	0.5
175.09026	0.6
181.04854	0.5
185.04207	2.3
189.05212	12.9
189.06892	0.7
190.05995	2.0
199.48743	0.4
207.13867	1.6
233.14905	0.6
352.11276	1.2
387.14105	9.3
507.70135	0.4
532.24695	0.6
549.19409	100.0
550.19806	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	549.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80257	0.4
56.05025	0.7
58.17429	0.4
59.58805	0.5
68.07690	0.4
69.03429	0.4
69.40355	0.4
84.04516	0.5
84.08116	0.5
86.09723	1.2
95.08604	1.3
104.05337	0.7
127.08718	1.2
137.05965	3.9
140.07126	0.4
149.09615	0.5
167.07129	0.5
175.09026	0.6
181.04854	0.5
185.04207	2.3
189.05212	12.9
189.06892	0.7
190.05995	2.0
199.48743	0.4
207.13867	1.6
233.14905	0.6
352.11276	1.2
387.14105	9.3
507.70135	0.4
532.24695	0.6
549.19409	100.0
550.19806	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	549.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
65.03922	1.2
66.04700	0.5
69.03437	1.9
71.04972	1.5
73.02902	0.5
79.05486	1.2
81.03403	1.4
81.07034	0.8
82.56361	0.3
85.02903	4.1
85.06522	0.4
87.04427	0.5
91.05492	1.3
94.04191	2.9
95.04943	1.3
97.02869	1.6
98.22538	0.7
103.05450	4.5
105.07018	1.1
107.04933	1.3
108.87496	0.4
109.02871	1.1
109.06485	0.6
111.04458	0.5
115.05466	2.4
116.18153	0.3
117.07007	1.7
118.04166	0.9
119.04945	0.8
119.08559	0.5
121.06499	0.4
122.03644	6.5
123.04441	0.9
125.05984	0.4
127.03900	0.8
127.07574	0.4
131.04935	5.2
131.07076	0.4
133.02866	0.5
133.06490	1.1
135.08063	0.7
137.05962	100.0
138.06284	1.6
143.04933	3.3
145.06496	2.8
145.08557	3.5
147.04396	0.8
147.08028	0.5
148.05168	1.9
151.03896	14.4
151.04956	1.0
151.07547	0.4
152.04636	0.4
153.05446	1.0
155.06059	1.0
157.06415	0.4
159.08229	0.4
161.05972	1.1
163.03909	1.2
163.07568	3.5
165.05458	0.7
167.07024	11.2
171.06540	1.2
173.05966	4.1
175.07513	2.0
177.05476	0.7
181.04930	15.6
182.05264	0.4
187.07471	0.5
191.07010	14.9
203.07024	1.2
205.06955	0.5
205.08502	2.3
207.10205	0.4
209.08080	0.6
217.08525	0.5
221.08014	0.5
233.08069	1.5
235.09673	2.6
247.07468	0.5
263.09225	0.9
269.11600	0.4
309.11490	0.4
329.13742	0.5
351.12057	0.6
357.13266	13.8
358.13730	0.6
369.13300	1.1
387.14307	8.4
517.18671	2.3
519.18750	0.5
549.19604	26.2
550.19916	1.4
573.36646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
52.93921	0.2
53.03933	0.3
55.01850	0.4
55.72289	0.2
57.03411	0.4
65.03918	1.4
66.04714	0.6
69.03416	2.2
69.40492	1.1
73.02907	0.4
77.77639	0.2
79.05475	0.8
81.03416	0.6
81.07037	0.3
82.04219	0.4
84.08113	0.3
85.02901	2.8
87.04430	0.4
88.88580	0.3
91.03936	0.2
91.05449	0.8
93.03439	0.3
94.04179	2.8
95.04948	0.5
97.02886	1.3
97.06547	0.3
98.22655	0.5
99.04469	0.3
103.05466	0.3
103.13882	0.2
107.04935	0.7
109.02866	0.4
110.03628	0.4
111.04430	0.3
111.24870	0.2
115.05456	1.7
115.14911	0.2
117.07019	1.4
122.02793	0.4
122.03642	7.4
123.04399	0.2
125.05951	0.3
127.03889	0.6
131.04945	0.5
131.95616	0.3
137.05965	100.0
138.03143	0.3
138.06284	1.3
143.04909	2.9
145.05009	0.4
145.06465	2.5
147.08014	0.4
151.03886	2.0
151.07440	0.3
152.04578	0.3
153.05457	0.6
155.06007	1.0
161.05962	0.6
167.07025	8.5
171.04361	0.4
171.06505	1.1
173.05960	3.6
175.07561	1.1
177.05466	0.6
181.04942	14.5
191.06972	0.3
203.07040	1.1
205.08577	2.1
207.10193	0.3
207.13986	0.3
207.15866	0.3
221.08014	0.3
229.35873	0.2
231.81273	0.3
233.08147	1.0
235.09619	3.2
357.13281	16.3
358.13614	0.5
387.14346	10.0
519.18811	1.0
549.19672	42.6
550.20142	2.5
568.44141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51519	7.1
61.27916	7.3
61.72984	7.1
65.03934	37.9
66.84265	7.5
67.05492	14.9
79.05486	14.5
91.05484	54.0
93.03407	21.4
95.04965	18.9
96.36938	7.8
103.05449	11.9
105.04467	13.1
105.07022	22.4
106.04186	17.8
107.04949	14.7
110.03663	28.7
111.04434	29.6
115.05427	10.4
118.04176	7.8
119.04921	45.5
121.06479	12.4
125.05995	33.9
129.07014	10.2
131.04898	20.6
133.06485	21.0
134.47575	8.0
137.05971	18.4
145.06462	16.5
145.08626	11.1
146.08833	8.7
147.04420	14.3
149.05907	14.4
150.39082	8.4
150.57071	8.9
151.07516	22.1
153.05438	100.0
159.08087	14.1
161.06009	25.8
161.09624	9.3
167.07034	78.6
172.05176	12.0
174.06744	39.7
175.07516	21.5
177.05473	10.5
178.07742	8.3
179.06952	13.3
181.08708	8.9
186.06718	14.8
187.07552	35.0
191.06946	8.5
199.07578	14.5
209.08086	25.6
216.07747	17.5
218.07275	11.3
219.08041	15.9
221.09657	11.8
229.08566	22.4
235.07487	21.1
236.08366	19.1
247.07588	15.7
248.08405	10.0
249.09166	13.7
251.10750	22.8
252.07463	8.5
260.08408	9.9
261.09036	8.1
264.07837	14.2
265.08469	16.8
277.08459	9.9
278.09259	9.1
279.10077	36.3
289.08496	9.2
292.07178	8.4
293.07764	9.6
295.09607	9.3
295.76172	8.5
307.09637	84.0
319.09564	11.2
321.10883	10.6
339.12195	83.6
340.13068	45.7
351.12012	14.5
357.89456	9.9
374.26358	7.7
549.20477	12.4
578.77209	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	549.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13449	4.2
55.01900	4.6
60.83495	4.2
65.03938	27.9
69.64490	17.0
77.33531	4.3
78.04192	4.1
78.04672	4.7
79.05495	10.0
91.05466	40.6
93.03394	15.1
98.22731	5.8
102.78766	4.7
103.05471	9.9
105.03365	5.5
105.07024	16.8
106.04137	7.4
107.04942	15.7
109.06536	7.6
110.03652	14.8
111.04450	18.3
115.05453	9.0
117.07015	5.1
119.04913	39.5
121.06481	12.7
123.04496	5.6
125.05981	24.8
128.06186	6.6
129.06998	5.7
131.04942	11.8
133.06493	15.2
135.04443	5.1
137.05971	17.9
145.06496	10.3
147.04387	11.1
147.08099	5.9
149.05975	16.5
151.07489	24.9
153.05447	100.0
159.08006	9.0
161.05977	25.4
167.07010	65.8
172.05180	6.8
174.06747	22.6
175.07526	23.9
177.05489	9.9
179.07086	6.0
181.04994	4.9
185.06029	5.6
187.07521	34.6
191.06953	5.1
191.08517	7.9
199.07558	9.8
203.08583	6.0
204.07768	8.0
209.08047	21.3
216.07828	16.9
218.07280	8.5
219.08061	17.0
220.08865	8.0
221.06064	8.5
221.09688	8.4
229.08604	14.8
231.08081	5.3
233.06065	7.0
235.07570	10.7
236.08449	11.3
245.05795	5.1
246.06842	5.4
247.07532	12.4
248.08237	5.3
249.09119	8.0
251.10611	24.6
261.05524	5.3
261.09143	8.5
263.07068	7.2
264.07803	20.9
265.08575	13.3
275.07013	4.1
276.07697	12.1
277.08673	14.8
278.09320	12.8
279.10159	13.5
281.07999	5.0
281.11545	4.3
286.04654	10.3
289.08600	5.5
291.10049	6.1
293.08170	9.6
296.10242	5.1
301.07004	23.9
306.08881	5.9
307.09592	64.0
308.10260	15.8
309.11115	6.3
319.09583	5.2
321.11227	12.0
339.12204	82.1
340.12930	26.4
341.13818	9.0
351.12357	10.4
501.19220	5.1
517.17926	6.0
549.15076	28.9
549.30640	9.2
552.80951	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	549.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02285	0.3
64.08735	0.3
67.05500	0.6
69.03422	0.7
69.07069	0.4
70.29485	0.6
81.07037	0.6
83.04973	0.8
85.02898	0.4
97.02868	1.1
109.10137	0.5
115.03937	0.6
119.08560	0.5
137.05949	0.4
145.10176	0.7
214.77960	0.4
327.65030	0.4
406.18869	0.4
549.23041	100.0
550.23370	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	549.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29741	0.5
62.44508	0.6
69.03417	0.7
69.78972	1.7
86.46992	0.6
110.47133	0.6
121.10126	0.6
124.72476	0.7
137.05989	0.6
224.20082	0.6
385.11731	0.6
526.73749	0.6
549.23004	100.0
550.23468	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	549.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
67.05490	0.4
68.30742	0.3
69.03423	0.8
69.07059	0.5
71.44395	0.4
73.02911	1.1
79.05467	0.5
80.19231	0.4
81.03325	0.3
81.07058	0.8
84.04527	0.3
85.02901	1.4
86.09766	0.4
87.04492	0.3
91.05479	0.7
91.51672	0.3
93.07056	0.5
95.08569	0.5
97.02874	0.8
105.07053	0.3
107.08600	0.4
109.10162	0.8
127.03683	0.8
132.04442	0.6
135.04506	0.3
137.05962	0.8
137.09598	1.0
138.02831	0.3
145.10158	0.4
147.04491	0.4
163.03929	0.5
165.09007	0.4
167.07118	0.6
178.04987	2.7
206.04457	4.2
271.05954	8.8
275.07361	0.9
313.16208	1.4
317.08365	3.6
333.07880	1.7
335.09396	4.7
417.20718	0.9
445.20364	20.2
446.20602	0.7
461.19965	0.7
463.21451	0.8
548.34576	0.7
549.25104	100.0
550.25562	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01867	3.6
55.05507	1.7
57.03428	9.6
57.07071	1.8
59.04990	1.8
61.02902	9.1
65.03904	1.5
67.05502	3.9
69.03423	34.3
69.07066	1.9
70.57223	1.1
71.04986	3.2
73.02901	3.5
74.83038	1.0
75.92997	1.0
79.05473	5.2
81.03398	11.6
81.07055	6.5
83.04974	3.7
85.02895	100.0
86.03221	1.3
86.09684	2.3
87.04460	4.0
91.03961	5.6
91.04462	1.0
91.05468	5.3
92.47851	0.9
93.07034	3.9
95.04951	3.1
95.08592	8.5
97.02884	35.1
97.06506	5.4
99.04462	6.1
101.62087	0.9
103.03949	1.1
105.07018	7.7
106.55759	1.0
107.08570	5.1
108.05705	1.1
109.02892	9.7
109.06524	5.1
109.10174	2.0
111.04427	1.0
111.08051	1.1
115.03949	1.2
117.06978	1.2
119.08580	5.1
120.08125	1.5
121.06494	3.7
121.10149	5.3
123.08058	45.2
125.06003	2.7
127.03893	30.2
131.08542	2.8
133.06502	3.1
133.10098	4.8
135.08029	1.8
135.11678	2.4
135.26686	1.0
137.05966	7.2
137.09590	1.2
145.04944	41.4
145.10101	3.0
147.08020	1.3
147.11699	5.7
149.09656	1.5
149.13353	1.2
151.07524	75.9
152.07855	1.0
153.09100	3.9
156.09290	1.9
161.13266	2.7
163.06006	6.5
163.11163	20.4
165.09117	1.6
165.12735	1.2
167.07057	2.5
171.06546	2.8
171.11700	2.9
173.13362	1.4
174.10301	1.2
181.04985	1.3
181.12247	8.1
184.01036	1.0
189.07588	1.8
189.12737	19.7
191.14317	3.7
206.04294	2.5
207.13785	79.9
208.14124	2.5
209.15465	6.2
223.13293	2.0
225.14859	13.7
243.75706	1.1
313.13019	1.1
322.61032	1.0
336.94254	1.0
351.18170	1.3
369.18909	3.9
387.14960	2.8
387.20044	8.9
412.70691	1.1
531.24103	3.3
549.26282	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52958	1.1
54.71666	1.1
55.01857	1.4
57.03392	1.4
58.73106	1.0
61.02905	1.2
63.14207	1.1
69.03423	3.7
69.14470	5.3
69.14870	2.6
73.02911	1.3
81.03391	2.4
85.02894	12.6
95.01292	2.9
97.02866	2.5
117.03362	3.4
123.04433	1.2
126.28040	1.2
127.03873	2.2
127.18197	1.0
135.04395	12.4
138.03127	1.9
139.03938	2.9
145.02847	8.7
145.04988	2.8
147.04396	2.5
148.41364	1.2
149.02318	2.6
153.05450	100.0
163.03883	83.7
164.04216	2.3
175.03926	2.4
177.01825	4.4
177.03929	1.1
177.05408	1.8
181.04991	3.6
187.03915	2.5
189.05455	2.0
195.06494	45.3
203.03366	46.2
204.03841	1.5
205.04924	4.5
215.03337	6.4
219.02899	1.3
228.02010	1.1
229.04985	1.3
231.02922	6.2
233.04462	4.3
251.05750	1.4
257.04691	1.3
261.03836	6.2
275.05515	2.2
279.04977	12.6
283.16907	1.2
291.04962	13.5
303.05066	2.0
321.06018	6.7
330.04391	1.2
339.07047	52.5
371.09616	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	550.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.2
53.03936	0.4
55.01867	0.3
55.05509	0.6
57.03419	0.5
59.38522	0.2
62.44049	0.2
65.03942	0.4
65.59544	0.2
67.05497	4.8
69.03427	1.3
69.07047	0.5
69.36864	1.1
71.04987	0.3
72.22721	0.2
74.30634	0.2
79.05463	0.8
81.03412	4.3
81.07046	2.4
85.02886	0.8
87.04490	0.4
91.05454	0.7
93.07027	0.8
95.04948	0.9
95.08599	1.7
95.94041	0.2
97.02897	1.4
98.22700	0.6
99.04421	0.5
99.08145	0.3
105.06984	0.5
107.08559	0.7
109.02869	1.7
109.06483	0.3
109.10146	8.9
115.03913	0.5
119.08569	1.1
127.03903	1.2
132.04427	6.4
133.04886	0.4
133.10091	0.3
137.09601	18.5
138.10030	0.4
155.10638	0.9
155.62338	0.3
160.03867	0.5
165.07658	0.4
165.09105	14.2
178.04973	53.6
179.05307	1.2
183.10136	1.1
201.11319	1.4
203.17928	0.5
205.67151	0.2
206.04463	100.0
207.04771	2.2
244.13216	0.5
271.05960	0.5
272.06281	0.5
309.13449	0.6
327.14371	3.1
486.06049	0.3
532.17871	0.3
550.18268	2.1
550.26617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01860	0.8
57.03410	0.6
65.03938	0.6
67.05482	0.8
69.03421	3.5
69.22813	2.4
70.06565	1.7
70.43005	0.5
71.04983	37.8
81.03407	2.5
85.02895	4.8
85.06530	5.1
93.03400	1.3
95.04949	1.4
97.02889	4.6
99.04430	1.1
103.05504	0.5
105.07021	1.5
109.02888	2.2
111.04433	3.9
113.06001	5.0
115.03922	3.6
115.05478	0.5
119.08602	0.6
121.10107	0.5
127.03893	2.0
127.07537	18.3
131.07010	8.9
133.06456	1.1
137.06000	3.6
138.06279	0.7
139.03885	12.7
141.05455	0.6
145.04926	2.0
145.08578	100.0
146.09023	1.1
147.11685	1.0
155.07034	1.6
163.03882	4.2
165.09132	0.8
166.13034	0.7
173.08055	2.7
181.04933	5.7
185.08124	1.0
189.07506	0.6
191.09111	14.0
206.04488	0.7
207.13676	1.1
208.14133	1.1
248.01331	0.5
257.10120	1.3
261.11182	0.8
271.05911	0.6
275.11234	1.1
283.13184	0.6
299.11023	1.3
307.08231	0.5
309.11057	0.6
317.12323	2.4
335.13239	4.1
349.63120	0.6
401.95883	0.5
407.23236	1.2
425.24316	1.0
444.85223	0.5
448.01093	0.5
491.29117	8.0
497.16483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
57.03434	2.6
57.32306	1.5
58.06592	6.0
67.05482	3.9
69.03423	6.0
69.07066	1.8
69.22128	9.1
70.06573	5.8
71.04986	35.6
79.05482	2.5
81.03410	4.2
81.07057	2.7
83.04961	1.7
85.02878	7.6
85.06526	5.6
86.09681	1.8
91.05470	2.5
93.07046	3.9
95.04945	3.1
95.08582	2.7
96.99134	1.3
97.02875	7.8
98.23425	3.5
99.04425	1.9
105.07021	3.2
107.04955	1.5
107.08591	3.4
109.02872	5.4
109.06512	1.6
109.10136	5.8
113.06007	6.1
114.12773	7.5
115.03925	3.3
115.13133	2.8
116.07092	1.6
119.08553	4.0
121.10156	3.0
122.44916	1.5
123.11676	1.6
124.07639	1.7
127.03892	4.0
127.07529	18.2
131.04924	1.8
131.07034	8.9
133.04959	1.5
135.11652	2.2
137.05968	12.9
137.09599	1.5
138.06233	2.5
145.04976	2.9
145.08572	100.0
147.11665	2.7
151.07552	2.3
155.07060	1.5
163.07535	2.1
165.12622	1.7
167.06979	2.6
173.74048	1.7
175.14870	2.0
178.05006	2.1
181.08548	1.5
184.91600	1.4
191.07356	2.0
191.09084	9.8
193.70103	1.6
194.04443	1.5
203.14362	1.4
203.18013	2.5
206.04472	4.4
209.15387	2.8
211.16920	3.2
216.09909	1.5
221.15349	3.0
239.09215	2.1
257.10120	2.1
279.10938	1.8
295.10129	1.8
317.12418	2.5
335.13339	3.6
383.12430	5.3
550.24164	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	550.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.4
57.03430	12.4
66.92922	4.2
67.05481	15.4
69.03425	40.8
69.66306	5.1
69.66635	15.5
73.98487	4.6
79.05460	10.6
81.07047	26.5
85.02889	21.5
85.89050	4.2
87.04455	26.3
91.05460	18.4
93.07028	20.7
95.08578	39.0
97.02901	27.1
98.22742	9.2
105.06995	28.0
107.08579	30.2
109.10151	29.3
115.03925	39.7
119.08575	21.3
121.10117	15.3
123.11721	7.7
127.03865	7.2
133.04968	27.2
133.10062	8.0
135.11674	7.9
137.06009	7.5
147.11647	25.5
161.13255	12.9
167.61896	5.2
201.16289	4.5
203.17952	47.7
221.18890	7.4
351.25040	6.6
352.25323	12.1
382.81775	5.5
392.64307	4.9
398.73096	5.2
440.79922	6.0
532.32947	17.3
550.17676	77.0
550.33826	100.0
550.45294	5.4
551.17590	14.9
551.25739	6.3
551.35004	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	550.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01865	2.8
55.05502	6.9
57.03424	1.6
57.07056	2.2
59.05001	2.9
67.05493	15.0
69.03414	4.5
69.07062	10.5
69.16956	8.1
73.02913	3.6
79.05483	10.9
81.07047	29.9
83.04990	1.9
83.08618	3.7
85.02888	7.7
85.06547	4.3
91.05452	14.8
91.14977	1.4
93.07029	51.3
95.04976	6.9
95.08599	20.4
97.02879	6.0
97.10172	1.7
105.04520	1.7
105.07013	25.6
107.08578	26.7
109.06479	1.5
109.10144	34.7
109.10884	2.4
111.08075	14.0
115.03922	4.0
119.08564	19.8
121.10136	18.6
123.11685	7.5
127.03889	2.9
131.08533	1.6
133.04959	4.3
133.10098	11.7
135.11673	23.4
135.89714	1.4
139.11165	1.8
145.04997	3.0
145.10143	2.7
147.11662	21.1
148.50433	1.4
149.09442	1.7
161.13242	7.0
163.05978	2.5
163.14783	2.1
165.12767	1.6
175.14905	1.9
203.17946	25.4
213.07347	2.7
221.19081	3.4
259.08182	2.0
295.10080	1.9
299.19989	2.6
317.20895	2.3
335.22156	6.5
357.11597	4.5
491.15393	1.8
546.95276	1.7
550.15973	2.7
550.40112	3.5
551.17218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.4
57.03431	12.7
57.67675	10.8
67.05494	35.8
69.03407	26.7
69.07028	11.8
70.65251	22.1
79.05489	25.6
81.07052	52.9
85.02882	32.5
87.04486	13.4
91.05454	17.8
93.07023	77.7
95.08612	62.2
97.02876	26.0
103.05421	13.4
104.10764	14.0
105.07011	33.4
107.08579	53.5
109.10136	100.0
113.43546	10.9
115.03941	19.4
119.08563	49.2
121.10128	31.7
127.03865	12.7
133.04956	22.4
133.10077	20.0
135.11649	62.4
137.05962	28.3
147.11647	47.0
161.13242	23.4
166.65781	10.3
167.07014	20.3
203.17950	83.3
221.19031	15.0
239.20024	19.5
315.08502	11.5
317.20822	15.0
437.72397	13.7
550.22308	37.4
551.17450	45.8
551.25421	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	550.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
56.05008	1.2
57.03411	0.6
57.07056	1.1
58.06591	1.4
59.66093	0.4
60.08156	17.1
67.05472	1.1
69.07052	2.2
69.74634	0.8
71.07365	6.6
71.08614	0.5
71.94983	0.3
79.43769	0.4
81.07030	0.7
82.42699	0.3
82.51443	0.3
83.08617	1.1
86.09692	49.9
87.09997	0.5
93.07034	0.7
95.08571	1.1
97.10176	0.9
98.98450	4.2
104.10727	100.0
105.11049	0.9
124.99985	28.5
149.13283	0.4
163.01526	0.6
184.07312	96.9
185.07602	0.5
197.90381	0.4
258.11032	0.6
367.31958	0.6
532.37463	7.5
550.38568	30.9
551.38770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.9
69.03439	0.7
79.26527	0.4
81.07066	2.0
85.02859	0.6
85.06559	0.3
91.05458	0.5
93.07052	1.9
95.08599	1.1
97.02856	0.5
98.23510	0.7
102.39470	0.4
105.07029	1.2
107.08594	1.3
109.10134	2.0
117.88740	0.4
119.08559	1.3
121.10130	0.9
125.02114	0.7
133.10132	0.5
135.11694	1.3
147.11667	1.2
148.11972	0.6
150.99940	0.4
153.05226	0.6
161.05942	0.6
169.04651	0.8
175.07437	0.9
190.05199	0.4
203.00842	0.5
203.17889	0.7
204.18312	0.5
213.07263	3.0
217.04861	0.6
235.09644	0.4
255.08324	0.5
283.09790	1.0
297.09512	0.6
336.22278	0.6
341.11896	0.9
343.11768	0.6
357.11523	4.1
374.55829	0.4
421.10916	0.5
491.15439	2.1
551.17279	100.0
552.17645	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	551.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47644	0.4
56.00946	0.3
59.70622	0.4
60.04775	0.4
91.06380	0.4
98.23454	1.3
102.29353	0.4
120.08147	0.4
125.02095	0.7
126.02882	0.5
133.41786	0.4
137.05937	0.9
145.06079	0.4
147.00870	0.4
153.05212	0.5
166.08580	0.5
167.07069	0.5
169.04706	1.1
213.07324	1.8
245.08134	1.5
254.00801	0.4
255.08289	0.6
265.09866	0.5
279.11285	0.6
339.13461	1.6
354.11807	0.4
357.11401	3.6
358.11404	0.4
367.12924	1.3
421.11276	0.8
491.15210	1.0
491.29041	1.1
491.78784	0.6
520.20691	5.0
551.17291	100.0
552.17462	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	551.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39867	0.5
70.06583	0.8
75.97540	0.6
84.08134	0.6
85.02884	1.1
86.09684	1.0
92.78726	0.5
97.02980	0.5
99.04458	1.2
102.36532	0.5
103.05441	0.6
105.07019	0.7
112.81160	0.4
113.45286	0.5
114.92648	0.6
123.08026	0.5
124.59475	0.5
137.05949	1.2
137.20135	0.5
138.02884	0.7
141.12675	0.5
165.01662	0.7
174.06502	1.1
175.85881	0.5
177.05527	0.6
181.05031	0.7
191.07019	0.6
205.04692	0.6
218.85158	0.6
227.16426	1.6
281.06311	3.4
363.10629	1.2
371.14990	1.5
379.09741	0.6
447.12747	0.9
461.10501	1.1
475.12115	1.0
476.12833	1.2
551.17249	100.0
552.17584	5.4
567.18286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.6
65.03941	6.2
71.01354	6.4
71.41786	3.4
79.05487	8.3
81.07032	4.2
91.05447	5.6
95.04966	20.2
105.37861	3.5
107.04967	11.6
112.57771	3.2
118.04151	3.7
121.06496	5.8
123.04429	18.4
125.05994	3.8
131.04915	13.1
133.02802	7.8
133.06453	4.3
135.04420	11.1
137.05963	28.7
137.74043	3.7
138.89145	3.3
147.04373	3.8
149.05952	10.7
150.06679	4.0
151.03906	100.0
151.05040	11.0
161.06018	9.8
161.27420	3.6
165.05600	4.4
165.06944	5.0
167.07043	14.6
175.07536	5.6
177.05495	7.9
178.06244	12.6
189.06956	6.2
194.07231	4.8
195.06491	15.0
195.08084	5.6
196.07236	5.1
203.07037	9.8
205.04807	16.3
205.06529	10.0
206.07268	7.3
207.07896	4.2
215.07002	9.9
217.06447	5.6
218.07350	3.6
219.08101	7.9
221.09660	6.3
222.06743	5.0
223.07379	3.7
226.61613	3.2
231.08099	7.8
233.06079	4.6
234.06702	9.7
235.07506	9.0
237.09004	9.3
240.36064	3.5
247.07489	10.3
248.08423	8.2
249.09103	11.3
250.06236	3.9
251.06880	4.8
259.07373	5.6
260.08295	4.3
261.09045	6.0
262.06268	4.9
263.06830	5.0
264.07864	7.1
265.08582	22.7
276.07620	4.0
277.08539	12.0
281.08200	7.3
287.06854	3.4
290.09332	4.5
291.10135	10.1
292.07227	5.3
293.08054	27.4
294.08746	7.0
305.08014	20.5
306.08908	4.8
307.09552	8.4
309.11176	14.7
319.09521	22.6
321.11026	6.7
323.09192	7.2
325.10660	49.3
326.11292	4.8
337.10666	67.5
338.11380	15.6
369.13525	6.7
399.92441	4.0
458.00082	3.1
544.06335	3.6
551.24792	6.8
557.82074	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	551.2096
Annotation	SC-1
Peak:m/z	Relative Intensity
69.17998	1.6
125.02103	0.9
126.02876	0.3
129.03975	0.2
132.38339	0.2
137.05972	0.7
143.19498	0.3
151.00021	0.3
153.05249	0.3
159.04178	0.5
169.04755	0.9
172.46451	0.3
213.07352	3.1
216.07567	0.7
217.08362	0.4
224.71599	0.3
239.09831	0.3
255.08401	0.6
297.09290	0.6
323.72467	0.3
341.12173	0.7
357.11484	3.5
361.12784	0.4
379.13678	0.9
403.13052	0.3
413.13943	0.3
421.14618	0.9
433.14865	0.5
461.99698	0.2
491.18964	3.7
493.16898	1.3
504.09995	0.3
551.20935	100.0
552.21375	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	551.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73348	6.3
56.96561	6.4
57.13734	6.0
67.05439	6.9
70.28756	9.5
70.29088	9.6
81.07022	5.3
98.22778	5.8
98.97541	8.8
131.74875	6.2
190.48778	6.1
204.81067	6.6
205.04947	16.0
311.70172	6.3
315.16183	14.3
413.80872	5.7
423.10129	6.0
431.21198	6.6
461.32169	6.3
551.26025	100.0
558.56891	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	551.2647
Annotation	Chisomicine A
Peak:m/z	Relative Intensity
52.39019	1.3
69.28497	8.1
76.86596	1.4
100.97084	1.8
128.77304	1.5
138.22366	1.4
176.14914	1.5
232.07236	1.7
237.13997	1.8
240.38928	1.6
251.15422	2.7
377.17535	2.7
378.18149	1.9
391.19202	6.3
391.23907	1.9
392.20001	6.1
393.20654	4.8
405.20761	2.7
406.21399	3.3
407.22485	12.3
417.20941	2.9
418.21628	2.9
421.19498	3.3
421.23956	4.7
430.17404	1.8
431.18390	5.4
433.23859	6.2
435.21848	9.7
444.19955	2.0
445.20184	6.2
446.21039	5.6
449.23813	3.0
459.21765	2.9
460.22458	17.4
461.23050	14.2
462.23776	2.2
463.20868	8.4
476.26178	2.0
477.26984	3.4
495.27402	4.9
505.25858	2.6
523.26813	5.8
533.17316	3.0
533.25409	54.7
534.25977	3.2
536.24445	1.7
551.26434	100.0
552.26758	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	551.2649
Annotation	Chisomicine A
Peak:m/z	Relative Intensity
50.31530	0.7
55.02211	0.6
56.86782	0.5
70.58004	1.2
87.78576	0.6
185.71962	0.6
189.94766	0.5
198.43869	0.6
211.12277	0.8
223.12340	1.1
237.13800	1.4
251.15492	0.8
357.34937	1.0
363.15933	0.9
377.17676	1.4
378.18344	1.1
379.18893	0.7
391.19165	1.8
392.19836	2.9
393.20544	3.0
403.19220	1.7
405.20947	1.3
406.21631	1.6
407.17706	0.7
407.22592	5.3
417.20724	0.9
420.18967	0.9
421.19388	1.6
421.24658	4.0
430.18127	0.7
431.18695	2.4
433.24329	3.1
435.21814	7.7
445.20023	4.0
446.20914	1.9
448.18762	1.2
449.23660	2.0
450.24142	1.4
459.21759	1.0
460.22394	8.0
461.23273	5.9
463.20834	6.9
473.23404	1.0
476.25571	1.1
477.26489	2.0
478.23962	1.0
479.24219	0.8
495.27670	2.4
505.25595	1.0
507.23349	0.8
518.22491	1.1
523.26807	3.5
529.97693	0.9
533.25299	15.2
534.26019	0.8
551.26447	100.0
552.26898	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	551.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69540	1.4
74.76751	0.4
98.23443	0.7
150.79948	0.4
174.83481	0.4
190.79910	0.4
203.05177	0.6
259.07910	1.1
389.22699	2.0
551.28174	100.0
552.28546	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	551.2824
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
50.57087	0.5
58.49955	0.4
59.00158	0.5
63.07433	0.5
69.76337	1.1
75.20157	0.6
88.57191	0.5
98.23471	0.9
108.01495	0.4
120.69657	0.5
122.34543	0.5
149.02272	0.8
150.52299	0.6
161.40590	0.5
163.32556	0.5
201.08482	0.5
203.05251	0.7
259.07849	0.8
272.19669	0.6
389.22891	2.0
514.69556	0.5
551.28198	100.0
552.28308	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	551.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13060	0.6
75.57786	0.7
91.05473	0.8
101.65656	0.7
133.31734	0.7
168.28777	0.7
172.52322	0.8
258.03046	0.8
297.09506	0.8
345.46463	0.9
353.24115	0.8
389.23120	2.2
551.28174	100.0
552.28943	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	551.2824
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
53.08968	0.3
55.52182	0.3
62.98533	0.2
66.00127	0.3
69.08782	2.0
97.21393	0.2
133.14064	0.3
154.62999	0.3
185.04170	0.4
259.07935	0.4
326.01788	0.3
331.10037	0.4
364.29242	0.3
389.22876	1.9
401.17786	0.3
434.06403	0.3
457.98038	0.3
551.28180	100.0
552.28473	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	551.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
117.43568	0.9
177.15067	1.0
251.12477	1.8
323.36581	1.0
389.22885	1.5
444.25879	1.0
480.96259	1.0
551.28180	100.0
552.28412	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	552.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	1.9
66.04686	1.6
69.03416	2.8
70.06571	2.2
71.04995	1.8
74.77148	1.2
78.72739	1.1
79.05497	2.1
81.03411	2.7
81.07042	1.9
85.02890	13.7
91.05476	3.7
93.07033	1.8
94.04154	1.6
95.04932	2.2
95.08617	2.7
97.02876	3.7
105.07013	2.7
107.04939	1.3
107.08575	2.2
109.06458	1.6
115.05468	2.8
119.08543	6.1
121.06457	1.5
122.03651	5.5
127.03916	2.9
131.04901	2.3
133.06512	1.6
133.10117	11.5
135.11679	1.7
137.05962	100.0
138.06213	2.3
143.04868	1.6
145.04939	4.1
147.11717	1.4
151.03915	3.1
160.05188	2.6
161.06007	4.5
163.03928	1.5
163.06104	1.4
163.07489	2.4
167.07016	2.0
173.06004	2.6
175.03896	1.3
175.07509	1.9
175.14799	8.4
177.05479	3.1
186.03113	2.2
191.07001	1.6
193.15865	2.3
194.07042	1.8
201.05406	11.1
202.05753	3.7
203.07019	3.5
205.06476	6.4
207.06500	6.8
211.16902	4.5
217.47939	1.4
219.06519	4.0
221.06058	1.8
222.06715	3.9
231.06520	2.1
233.05951	4.0
234.06702	1.5
237.09056	4.6
241.76421	1.4
250.06194	4.1
251.06956	2.2
261.05365	1.6
265.08554	13.6
267.06543	1.6
277.08527	2.9
278.05841	4.5
281.08087	1.9
283.09564	2.5
292.07245	5.7
293.08005	13.3
297.11267	2.7
305.08011	2.8
307.09650	11.0
309.11151	3.5
310.08246	2.4
325.10657	30.9
337.10727	7.6
343.11719	32.7
355.11783	13.5
442.57074	1.5
461.23651	1.2
552.20624	4.4
553.21136	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	1.9
66.04686	1.6
69.03416	2.8
70.06571	2.2
71.04995	1.8
74.77148	1.2
78.72739	1.1
79.05497	2.1
81.03411	2.7
81.07042	1.9
85.02890	13.7
91.05476	3.7
93.07033	1.8
94.04154	1.6
95.04932	2.2
95.08617	2.7
97.02876	3.7
105.07013	2.7
107.04939	1.3
107.08575	2.2
109.06458	1.6
115.05468	2.8
119.08543	6.1
121.06457	1.5
122.03651	5.5
127.03916	2.9
131.04901	2.3
133.06512	1.6
133.10117	11.5
135.11679	1.7
137.05962	100.0
138.06213	2.3
143.04868	1.6
145.04939	4.1
147.11717	1.4
151.03915	3.1
160.05188	2.6
161.06007	4.5
163.03928	1.5
163.06104	1.4
163.07489	2.4
167.07016	2.0
173.06004	2.6
175.03896	1.3
175.07509	1.9
175.14799	8.4
177.05479	3.1
186.03113	2.2
191.07001	1.6
193.15865	2.3
194.07042	1.8
201.05406	11.1
202.05753	3.7
203.07019	3.5
205.06476	6.4
207.06500	6.8
211.16902	4.5
217.47939	1.4
219.06519	4.0
221.06058	1.8
222.06715	3.9
231.06520	2.1
233.05951	4.0
234.06702	1.5
237.09056	4.6
241.76421	1.4
250.06194	4.1
251.06956	2.2
261.05365	1.6
265.08554	13.6
267.06543	1.6
277.08527	2.9
278.05841	4.5
281.08087	1.9
283.09564	2.5
292.07245	5.7
293.08005	13.3
297.11267	2.7
305.08011	2.8
307.09650	11.0
309.11151	3.5
310.08246	2.4
325.10657	30.9
337.10727	7.6
343.11719	32.7
355.11783	13.5
442.57074	1.5
461.23651	1.2
552.20624	4.4
553.21136	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.05274	0.3
55.05497	2.1
57.03432	0.4
57.07060	0.5
57.40342	0.2
59.04978	0.2
61.02905	0.4
63.68507	0.2
65.03917	0.3
67.05494	1.6
69.03407	0.7
69.05732	0.2
69.07058	6.9
70.06574	0.9
71.04953	0.4
72.08125	0.4
73.02901	0.5
77.03886	0.3
79.05474	1.0
81.03409	0.5
81.07039	2.1
83.04955	0.5
83.08596	1.7
85.02887	2.8
85.06518	0.3
86.09699	0.4
87.04451	0.4
91.05457	2.4
93.07024	1.4
95.04945	0.3
95.08012	0.4
95.08590	5.6
97.02877	1.4
99.04404	0.3
103.05499	0.3
105.07011	6.9
107.08580	2.3
109.02796	0.3
109.06477	0.5
109.10143	5.1
111.07980	0.2
115.03931	0.4
117.06985	0.9
119.08560	28.5
120.08104	0.3
121.10108	1.9
123.08029	0.5
127.03880	0.6
129.68837	0.2
131.08557	1.1
133.10107	26.1
134.10423	0.3
135.11630	1.9
136.07512	0.4
137.09613	2.2
145.04961	0.5
145.08553	0.5
145.10109	1.6
147.11665	4.3
149.13211	0.6
151.14801	0.8
159.11697	0.3
160.12421	1.0
163.11105	0.3
173.13239	0.9
175.14790	100.0
176.15115	2.4
177.16357	0.5
186.05438	0.2
193.15849	13.0
194.16183	0.3
223.13243	1.2
319.18771	0.3
366.22565	0.3
534.29095	0.5
552.17426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1314
Annotation	Vitexin 2''-p-hydroxybenzoate
Peak:m/z	Relative Intensity
53.61694	1.1
53.98205	1.0
55.95978	0.9
68.73002	0.9
69.44464	0.9
69.44769	5.0
73.81446	0.9
95.00534	1.0
95.97532	1.0
98.97560	1.9
116.98573	1.1
123.11623	1.1
137.05911	3.3
151.03885	1.1
161.06024	1.1
176.54802	1.0
195.57140	1.1
205.04941	1.3
213.07275	1.4
237.00554	4.2
255.01700	2.1
283.10147	1.0
423.05734	4.4
449.88718	1.1
504.56058	1.1
521.20514	1.4
535.28320	1.6
540.63287	1.2
553.12585	100.0
553.26764	5.9
554.12909	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	553.1678
Annotation	Cucumerin A
Peak:m/z	Relative Intensity
52.27042	0.9
63.49500	1.0
69.14520	3.1
69.14951	3.2
79.05483	1.3
79.26517	0.9
82.31673	1.1
91.05489	1.6
98.97564	1.3
100.11169	1.1
101.06278	1.0
105.07030	0.9
107.16084	1.0
119.05060	1.1
131.04939	2.0
137.05951	12.2
151.03896	2.0
151.07484	1.1
161.06027	1.8
164.40628	0.9
167.07053	1.4
176.07928	1.1
177.05531	1.6
177.09142	1.3
195.08102	1.0
205.04973	2.2
205.08618	1.1
259.09644	1.7
369.13309	1.9
369.17709	1.2
441.10715	1.4
553.16742	100.0
553.30499	5.8
554.17157	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	553.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01860	5.5
57.03421	0.5
59.04996	1.7
65.54299	0.3
69.03062	0.6
69.03417	10.0
71.05001	0.3
73.02893	0.8
73.34172	0.3
76.12344	0.4
78.64378	0.3
81.03401	3.0
83.04951	0.5
84.08151	0.3
85.02887	5.9
87.04446	4.8
97.02879	14.8
99.04442	0.9
103.03902	0.6
109.02863	2.7
111.04382	0.5
114.06720	0.3
115.03909	100.0
116.04250	0.9
123.04456	0.5
127.03900	5.2
127.04823	0.3
133.04942	13.5
141.35280	0.4
145.04922	3.2
151.03925	0.8
187.05962	0.8
199.05901	0.7
203.82758	0.4
211.05998	0.5
223.05910	0.5
229.93079	0.4
232.98555	0.4
241.06985	1.8
259.08087	12.4
259.10876	0.6
262.77396	0.4
277.06259	0.7
277.09161	11.0
358.84140	0.3
373.11191	1.1
385.10999	0.6
579.61517	0.3
581.33771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39591	0.3
63.18344	0.2
63.18693	0.3
65.03951	0.3
69.47575	1.3
69.51775	0.3
70.94327	0.3
79.05505	0.3
85.02934	0.3
91.05476	0.4
94.04229	0.3
95.04947	0.4
100.11282	0.4
104.35809	0.3
105.07027	0.4
109.10111	0.3
120.54742	0.3
121.06528	0.4
121.10175	0.4
125.02129	1.2
126.02869	0.4
131.04800	0.3
137.05968	2.4
147.04396	0.4
151.03995	0.3
151.07487	0.3
153.05316	0.7
161.06047	0.5
167.06976	0.5
169.04721	1.0
177.05371	0.4
187.07565	0.3
205.04942	0.6
205.08661	0.5
207.88484	0.3
213.07309	3.3
218.05539	0.5
226.29196	0.3
234.44200	0.3
255.08395	0.8
262.56564	0.3
271.06021	0.3
284.10236	0.3
297.09396	0.9
314.12054	0.3
341.11987	0.7
357.11557	4.0
369.13208	0.4
381.11435	0.8
391.16751	0.5
391.20920	0.8
409.18286	0.4
423.12573	0.8
493.16730	3.4
494.16568	0.4
535.28833	0.5
553.18817	100.0
554.19135	5.1
577.13660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32884	4.5
57.03429	5.1
59.85882	4.2
68.02657	5.7
69.18426	30.1
79.05473	10.4
81.07027	7.1
85.02895	7.7
91.05464	33.2
95.04952	16.3
98.83911	3.9
98.95182	4.2
103.05441	24.3
105.07035	18.5
107.04951	15.6
107.08573	6.5
109.06501	6.8
111.04443	10.6
114.37708	4.6
115.05464	11.6
119.04934	24.7
119.08572	5.5
121.06482	22.0
123.04456	10.1
128.06241	11.8
129.06987	12.0
130.04160	13.2
131.04901	71.7
131.08507	6.3
132.05652	7.5
133.02832	20.8
133.06497	16.8
135.04404	27.3
136.89597	5.6
137.05966	73.2
143.06078	4.5
144.05658	13.1
145.06459	9.5
147.04396	50.9
147.08028	16.2
149.05933	32.6
149.54573	5.1
150.06757	37.6
151.03906	10.3
151.07484	6.0
153.05476	58.7
159.08025	31.5
160.05219	12.2
161.05952	100.0
162.06737	51.9
163.03905	6.9
163.07532	29.6
165.05466	24.3
165.06882	8.8
167.07039	8.6
175.07553	64.2
177.05481	23.7
178.07739	5.2
179.07085	6.9
181.06529	13.1
187.07523	57.3
189.05440	11.5
189.07008	8.2
190.06175	5.6
193.08582	13.2
194.07230	15.8
195.08072	11.0
199.07596	9.5
205.06508	18.6
205.08600	72.2
205.83595	5.0
206.07175	6.7
207.08041	7.7
209.09677	12.2
211.07619	8.7
217.06688	6.7
217.08488	31.6
218.07222	5.7
219.08096	7.3
221.06024	15.2
222.06740	20.8
223.07515	10.9
224.08281	6.6
225.09119	6.3
233.06000	14.3
234.06772	6.4
235.07646	9.7
236.08270	10.9
237.09065	25.3
239.06964	8.4
247.07524	10.7
249.05432	4.8
249.09154	9.6
250.06314	9.1
251.06929	11.5
253.08662	6.1
254.09160	6.2
261.09131	6.4
263.07089	7.2
265.08572	50.7
266.09351	7.2
267.06628	5.9
267.10144	7.8
269.08224	11.8
269.11746	5.6
278.05627	7.4
279.06564	5.1
279.10086	7.3
281.08160	9.2
283.09662	5.9
293.08075	23.0
297.11108	44.6
301.10602	54.9
305.07870	9.4
307.09680	8.8
309.11252	9.0
310.08365	9.8
313.10718	13.4
315.12268	17.1
325.10635	70.8
327.12106	7.2
331.11938	9.0
335.09485	7.4
339.12122	5.9
343.11703	45.8
355.11716	13.5
473.15549	6.6
505.18051	8.1
553.26196	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17828	0.3
69.25665	1.6
73.94456	0.3
75.61716	0.3
85.02893	0.5
90.88969	0.4
91.05450	0.5
98.23473	0.6
125.02114	1.0
127.03820	0.5
137.05992	1.2
144.17535	0.3
151.00038	0.6
153.05255	1.4
167.06915	0.6
168.07549	0.4
169.04752	1.4
191.03427	1.3
203.94708	0.4
213.07281	2.8
218.09142	1.2
247.09665	1.6
249.23950	0.4
255.08397	0.9
271.06018	2.4
341.12061	1.0
357.11554	3.7
381.15054	1.1
423.16019	0.8
491.29745	0.4
493.20316	3.6
515.84882	0.3
535.29193	0.9
536.37482	0.4
549.81360	0.4
553.22455	100.0
554.22852	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	553.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	2.9
55.05499	4.8
57.07079	2.5
67.05494	5.6
69.07056	5.4
69.08872	8.6
69.09296	5.5
79.05482	3.8
81.07053	25.9
81.16930	2.1
83.01324	3.1
85.02887	10.8
86.61553	2.4
95.08611	10.2
98.23512	3.7
107.08610	2.3
109.10165	5.5
111.04453	3.0
113.02346	51.4
113.03082	3.9
115.29699	2.1
121.06515	3.0
123.04420	3.4
123.11693	43.7
124.93739	16.4
131.64281	2.2
133.02834	6.2
137.05997	2.9
139.03909	5.0
140.04695	4.9
142.94797	3.8
145.06502	2.4
149.02303	3.3
149.05913	3.6
151.03943	6.8
153.05476	17.9
161.05977	6.0
162.03105	4.2
164.04689	6.0
165.05473	12.0
167.03383	24.7
173.06049	2.5
177.01753	3.1
177.05466	19.3
179.03391	29.7
182.02122	3.3
187.03886	2.8
189.05444	23.3
191.07002	4.5
192.04134	16.7
193.04921	9.3
197.04425	19.7
198.97398	100.0
201.05447	7.7
203.07013	3.0
205.04927	30.5
205.06592	3.8
207.06473	61.2
211.07542	4.3
213.05470	3.3
216.98428	5.4
217.04941	16.8
219.06444	12.2
221.06039	5.1
221.08098	7.3
227.07019	4.3
229.05014	4.2
231.06516	9.2
233.04181	2.8
233.08154	2.7
235.05981	9.8
237.05508	3.0
238.06252	3.0
239.07008	7.1
241.04910	4.4
245.04639	3.2
245.08054	4.2
247.05893	14.8
249.05396	8.1
249.07608	14.4
250.06244	4.9
251.06966	2.8
253.08571	7.4
255.06487	6.4
256.07074	2.6
257.07993	2.9
259.06024	3.0
259.09579	3.9
263.06952	4.7
264.07660	4.0
266.05728	6.4
267.06552	7.1
269.04321	2.8
269.08157	2.5
271.06140	2.9
273.07623	3.2
273.10925	2.5
276.17218	4.3
277.07062	9.9
279.06781	3.1
280.07382	3.9
281.07974	18.2
283.05933	5.6
287.09113	3.7
289.07242	4.3
291.06442	4.9
292.06995	2.9
293.07993	6.9
294.05145	5.1
295.06018	7.1
295.09537	3.4
297.07434	3.6
298.08188	4.0
299.09091	9.9
301.06989	16.7
303.15869	21.5
305.04440	3.8
308.06787	8.0
309.07541	25.2
310.08209	5.9
311.05676	3.6
311.09073	4.7
312.06137	2.8
315.08530	8.8
316.09323	31.1
317.10037	7.9
319.05981	5.7
322.04715	3.2
323.05508	2.8
323.09052	5.4
325.07013	5.6
325.10532	3.7
326.07877	4.7
327.08649	7.4
329.17255	3.5
335.09146	3.1
336.06158	10.0
337.06958	25.1
338.07654	5.4
339.08856	10.8
340.09155	2.5
341.10300	16.1
341.17380	18.0
351.08548	25.9
353.10092	5.4
354.07214	5.5
365.06317	3.0
369.09616	51.9
369.13910	4.6
370.10037	3.0
371.18503	11.3
379.07877	14.0
383.11008	3.8
397.09100	58.7
401.12192	2.6
405.13324	2.5
411.10587	23.8
423.21695	5.2
429.11740	39.9
433.19940	4.4
439.20935	3.8
440.21875	58.1
441.22757	3.1
449.18976	2.5
461.19662	22.4
493.15277	3.6
493.22211	66.3
493.29300	4.7
494.21942	3.1
521.21643	44.8
521.38971	2.4
535.23279	36.4
536.23944	2.3
553.25000	68.7
553.32813	3.8
554.25555	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	553.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44577	0.9
105.09611	0.9
133.02832	17.3
133.03746	1.5
137.05981	3.9
145.59253	0.8
149.05959	1.4
165.05486	3.0
178.02582	7.3
193.04948	100.0
194.05290	2.0
205.05008	1.3
225.07599	2.1
261.11157	2.2
388.46671	0.9
407.62936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.243
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62244	3.3
68.99767	4.7
69.07053	5.7
69.10227	3.5
69.29672	6.6
69.30077	16.2
85.02895	23.8
97.65862	3.1
98.23409	8.3
111.04408	4.4
113.02355	100.0
125.02364	8.9
133.02850	9.8
139.03854	4.2
140.04640	9.0
153.05470	26.7
162.03139	13.2
164.04691	6.6
165.06961	4.6
167.03371	47.6
177.05492	22.5
179.03343	5.0
192.04207	7.1
193.04993	15.9
205.04956	58.3
207.06485	42.1
215.06929	3.6
217.04909	7.4
221.04509	3.2
221.06006	36.8
237.05502	6.2
238.06161	6.4
241.05003	4.3
249.05450	20.4
249.07635	7.5
250.06204	4.1
254.05708	5.5
255.06525	7.0
264.04144	4.2
265.05014	16.9
266.05566	8.6
269.08133	5.8
277.07138	7.3
279.06378	8.0
280.07358	4.3
281.08069	3.9
283.05731	4.1
293.04398	11.3
297.07550	39.3
303.08563	14.0
304.09445	20.9
310.04694	6.7
316.09280	8.3
325.06998	84.0
326.07623	5.1
329.10156	5.1
339.08615	13.1
357.09665	91.1
367.08087	6.3
369.09985	3.6
372.15524	6.8
375.18674	3.7
385.09088	40.8
399.10880	6.6
425.15918	4.3
429.11789	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	553.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80865	1.2
50.98537	0.9
56.07678	0.9
58.29171	0.9
65.26281	1.1
70.16730	2.1
81.07030	2.5
91.05476	1.2
95.04929	1.3
95.08590	1.6
97.06511	0.9
104.33566	1.0
139.56018	0.9
151.03986	0.9
165.87952	1.0
172.45804	1.0
243.17274	3.1
245.42268	1.2
248.71860	0.9
333.07861	27.7
335.09375	15.5
391.21201	2.0
553.26117	100.0
554.26471	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	553.2768
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
60.28844	3.9
67.13261	4.6
69.60710	7.3
69.61069	16.2
83.08627	4.3
107.08544	4.4
121.58433	4.0
133.97177	4.8
216.98679	8.2
260.09561	5.2
323.37933	4.4
493.22574	5.8
521.63824	5.2
553.27490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44871	0.3
75.27606	0.3
81.56381	0.3
102.99761	0.3
154.03795	0.4
162.39966	0.3
185.04164	3.3
201.03743	1.0
222.77068	0.4
259.07855	0.5
275.07339	1.2
301.09225	0.5
331.09921	3.5
345.11554	0.4
354.81421	0.5
359.13153	0.5
373.14600	0.9
391.24280	0.8
401.17825	0.6
415.19275	1.3
455.22940	0.5
483.22128	2.1
553.29706	100.0
554.30023	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26302	0.8
83.01068	0.4
84.01897	0.6
86.68320	0.4
95.01077	0.7
150.25826	0.4
163.86484	0.4
175.57588	0.4
185.04202	1.6
201.03748	1.4
203.05171	2.3
203.15195	0.4
221.85031	0.4
240.81566	0.4
259.07895	1.3
331.09778	2.2
345.11612	0.6
359.13147	0.6
391.24597	0.8
415.19449	1.0
468.38855	0.5
483.22006	1.4
553.29755	100.0
554.29993	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	553.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18483	0.6
57.88865	0.6
60.63801	0.5
69.22302	1.2
69.22707	3.0
74.15352	0.6
98.22628	1.0
124.56846	0.6
177.67105	0.6
203.05431	0.6
259.07932	1.1
278.67410	0.7
391.24573	0.9
535.29193	0.6
553.29742	100.0
554.29974	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	553.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96515	0.4
55.13559	0.5
69.24504	2.2
76.59570	0.4
77.81673	0.4
97.08770	0.4
105.98092	0.4
125.28203	0.4
160.64020	0.5
203.05243	1.0
236.74933	0.4
259.07983	0.7
285.42081	0.4
300.42319	0.4
391.24451	0.9
427.68726	0.5
553.29749	100.0
554.29950	5.1
554.37360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29266	0.3
56.04044	0.4
60.24273	0.3
62.28767	0.3
69.53464	1.6
72.04620	0.4
76.64594	0.4
132.70528	0.4
162.33939	0.4
185.04187	0.5
203.05257	0.6
258.65536	0.4
259.07770	1.0
385.58282	0.4
391.24557	1.3
499.38736	0.4
553.29736	100.0
554.29932	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	554.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
54.46672	0.5
55.01871	2.5
57.03425	4.4
61.02916	8.1
67.05482	0.5
69.03418	18.3
69.39487	1.4
69.39896	0.8
70.06596	0.6
71.04987	2.1
73.02908	3.6
81.03410	7.6
81.07061	1.1
83.01330	1.0
84.04506	0.6
85.02892	100.0
86.03233	0.8
87.04456	2.1
91.03944	5.9
91.05417	0.4
97.02879	29.3
98.06033	1.0
99.04434	3.9
101.02370	0.6
103.03923	0.6
109.02865	8.0
109.10168	0.5
115.03901	1.1
125.01534	9.1
125.02415	0.8
126.05501	0.7
127.03899	28.5
144.06512	3.2
145.04933	48.6
146.05376	0.5
146.21921	0.4
157.65189	0.4
162.07619	1.1
163.05994	13.4
167.06209	12.1
180.08655	1.8
189.16327	0.5
207.17445	0.6
213.06725	2.5
225.18442	0.5
289.09235	0.4
324.13016	0.7
350.46136	0.4
357.11249	2.5
384.66766	0.5
443.70868	0.5
552.22949	0.4
554.16681	1.0
554.28339	1.5
555.27521	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	554.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13455	0.6
53.19376	0.7
54.21727	0.6
55.01864	1.0
64.55998	0.6
69.03416	1.6
70.81401	1.2
74.34822	0.8
79.05432	0.8
85.02892	5.4
86.85036	0.6
91.05463	2.0
93.07050	1.0
94.04153	0.6
95.08593	1.5
97.02872	1.4
103.05450	6.3
105.07008	1.4
107.04942	1.8
107.08596	1.9
109.02873	1.2
115.05437	1.6
117.07076	0.9
121.02829	5.5
121.06507	1.7
121.10102	2.1
122.03628	3.1
127.03885	0.9
128.06198	0.8
129.06987	3.7
131.04906	14.2
133.06467	1.1
135.08038	1.2
135.11646	0.7
137.05949	41.9
138.35481	0.8
139.03938	1.2
143.04877	0.9
145.02811	0.7
145.04922	1.1
146.03610	0.8
147.08020	1.5
148.05048	0.7
149.06020	1.7
153.05409	1.9
157.06454	2.7
160.05165	2.6
161.05939	10.6
163.07513	35.7
168.22562	0.7
174.06688	1.7
175.07510	100.0
176.07854	2.3
177.05473	1.6
177.09050	3.4
177.16331	4.1
179.06956	2.2
179.08496	0.9
185.05931	2.1
187.07587	1.2
188.04622	1.3
189.09082	2.8
191.06989	7.0
193.06485	1.1
195.06453	3.8
195.17368	1.9
197.09538	0.8
203.07042	4.5
205.04890	1.4
205.08528	8.6
207.08029	0.8
209.08014	3.3
210.06671	1.8
217.08510	2.8
221.06024	4.0
224.08209	1.2
225.09094	5.1
233.08017	6.0
235.09596	53.3
236.10130	0.8
238.06215	1.4
239.10643	1.2
249.09222	1.2
251.09068	0.8
252.07710	1.8
253.08559	11.4
265.08585	2.6
267.10059	3.6
270.08850	0.9
277.08633	1.7
281.08002	0.8
285.11154	30.8
295.09448	1.9
297.11148	4.2
299.12793	1.1
309.11136	3.3
312.10034	0.9
325.10590	2.7
327.12231	31.1
331.15128	1.1
339.12363	0.8
341.13834	7.7
345.13272	26.2
357.13348	4.3
554.26318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60779	1.5
54.93324	1.7
55.01863	3.1
62.62832	1.7
69.03416	2.5
70.06597	3.9
70.97135	2.1
79.05480	2.4
83.04980	2.6
85.02899	9.4
91.05450	2.5
95.04961	2.6
97.02942	4.1
103.05461	5.4
105.03412	1.9
105.26871	1.8
107.04951	2.1
111.04412	3.0
112.08671	1.6
119.04910	2.5
120.08094	1.8
121.06486	3.3
129.07022	4.3
131.04897	6.9
131.08572	2.9
133.02867	2.8
133.06511	4.2
135.04402	4.2
136.08661	1.5
137.04933	2.6
137.05972	39.3
143.04922	3.2
145.04977	2.5
145.06491	3.6
147.04333	2.0
149.05986	10.3
151.07489	2.2
153.05449	4.2
157.06493	2.9
160.05142	1.9
161.05959	23.4
163.03864	2.5
163.07497	6.2
167.07085	2.5
173.05998	1.8
174.06714	7.2
175.07501	7.1
177.05435	14.1
179.07010	3.5
187.07520	4.9
188.04570	4.0
189.09090	5.5
191.07034	3.5
193.06476	7.3
203.07028	16.3
205.04939	2.7
205.08505	3.8
207.08112	4.0
210.06769	3.9
215.06964	2.9
221.05972	15.8
222.06569	2.7
222.61670	1.7
225.09129	15.1
233.08044	27.1
235.07602	4.3
238.06117	4.2
239.10690	2.3
249.05452	5.6
249.09071	3.3
252.07811	3.7
253.08575	37.0
254.05786	2.5
264.66855	1.9
265.08691	3.2
267.06552	4.0
267.10135	11.0
270.08850	6.5
277.08612	6.1
285.11194	90.6
286.11606	3.4
294.08759	2.3
295.09747	9.2
297.11237	8.6
299.12787	1.8
309.07486	6.6
309.11142	11.3
319.07916	2.1
327.12241	100.0
328.12549	4.9
339.12143	5.0
345.13303	75.8
357.13190	5.2
391.08148	1.9
439.34448	2.1
554.16852	24.7
554.27533	3.8
555.12329	2.7
555.20422	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	554.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01859	3.4
55.05254	1.2
55.05503	13.5
57.03428	4.3
58.03246	0.6
59.04982	0.8
61.02927	3.4
67.05492	2.0
69.03067	0.8
69.03419	10.7
69.07053	2.1
70.06577	1.0
71.01331	0.8
71.04973	4.1
71.44134	0.7
73.02905	20.5
76.30355	0.6
76.30814	0.6
79.05457	1.9
81.03423	1.6
81.07051	3.1
83.04967	25.6
83.08545	0.7
85.02891	21.1
85.03407	1.1
85.06542	0.7
86.10236	0.7
87.04443	3.5
91.03936	0.8
91.05455	2.1
93.07038	2.4
95.04943	2.8
95.08580	1.9
97.02878	17.2
97.06506	0.8
99.04438	10.6
105.07027	3.1
107.08581	7.4
108.11700	0.7
109.02848	2.6
109.06495	3.4
109.10125	5.6
110.07124	0.9
111.04446	1.4
111.08030	3.2
113.05984	0.6
115.03915	10.9
117.05452	2.0
117.06966	0.6
119.04928	1.6
119.08541	2.6
121.06509	0.8
121.10130	4.4
123.08041	6.9
123.11678	1.0
125.05904	0.9
125.09622	5.7
125.87818	0.7
127.03893	7.8
127.11124	1.5
131.08530	1.6
133.04942	7.1
133.10153	0.7
135.08023	2.4
136.81921	0.6
137.05922	1.2
137.09581	1.4
137.13231	1.2
139.11191	1.1
141.06979	0.8
145.04945	7.2
146.05994	2.5
147.04408	4.6
147.11647	3.6
149.09602	7.3
151.07503	2.2
152.08307	1.1
153.08983	1.0
155.07019	0.8
159.11688	0.7
161.09473	0.8
161.13272	1.3
161.51062	0.6
163.03897	1.0
163.05974	3.8
163.11145	2.1
165.09251	0.7
165.12708	3.4
167.10629	2.0
169.06480	1.1
169.75708	0.6
171.11656	1.9
173.08069	2.6
175.03943	1.7
177.01703	0.9
181.06540	0.7
185.11737	1.1
189.12659	4.8
197.11777	3.0
207.13750	6.6
210.43701	0.7
212.75252	0.8
213.05376	0.8
223.06032	2.0
223.13289	1.0
225.14813	100.0
226.15074	1.4
231.13805	0.7
241.06987	1.8
241.14273	1.4
243.15826	1.3
259.08087	4.5
261.09653	0.9
263.10690	1.0
277.09079	0.9
295.10214	2.0
321.16895	0.9
357.19156	6.1
387.20068	0.9
502.23224	0.8
514.85010	0.8
554.16357	13.1
570.21820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.9
57.03434	5.3
57.07069	20.4
61.02932	3.8
67.05503	4.1
69.03413	10.7
69.07061	100.0
69.87383	9.3
73.02904	4.9
79.05495	8.1
81.03417	6.9
81.07037	15.4
83.04964	5.9
83.08609	6.0
85.02898	65.7
85.06529	6.8
88.81982	2.8
91.05454	4.5
93.07021	11.3
95.04951	4.4
95.08595	25.3
97.02888	16.2
97.06522	8.2
97.10164	12.1
98.22822	5.7
99.08086	5.1
99.11714	4.6
104.16227	2.8
105.07000	5.2
107.08572	16.9
109.02850	5.8
109.10134	10.0
111.04417	3.9
111.08099	6.5
111.11717	23.4
113.49065	3.2
115.03905	4.9
121.10139	25.2
125.09586	11.2
127.03895	10.1
135.11678	11.2
137.05995	12.7
137.13257	7.3
137.72234	3.0
139.11156	29.5
145.04921	25.7
149.09631	3.6
153.05374	3.7
162.38051	2.8
163.03856	5.0
163.05994	11.2
165.20932	3.5
175.07529	8.4
177.16364	43.1
195.17418	58.6
213.18466	82.8
233.11674	11.7
253.08519	4.0
293.51718	3.2
327.12183	3.9
334.08759	4.1
393.22375	3.9
554.18365	41.5
555.26477	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	554.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01877	1.2
55.05513	5.1
57.03435	1.7
57.07081	1.6
58.01444	1.0
61.02932	1.4
63.92466	0.8
65.62296	0.8
67.05489	2.5
69.03427	3.6
69.07066	9.1
69.48990	1.0
70.06583	4.3
71.04993	2.0
73.02934	0.9
73.07137	0.9
79.05504	4.1
81.03404	1.8
81.07056	10.5
83.08615	6.8
85.02903	20.8
85.06532	2.5
87.94930	1.0
91.05495	3.1
93.07035	9.4
95.08601	21.6
97.02886	5.5
97.10150	2.8
99.04462	1.1
99.08079	11.7
100.96069	0.9
103.05486	1.3
105.07017	2.3
107.08585	24.2
109.02918	2.4
109.10124	6.5
111.08100	4.6
113.09618	1.2
121.10131	43.6
123.08096	1.8
123.11735	1.7
125.09628	3.1
127.03905	5.2
135.11673	8.8
137.05928	1.4
137.13251	3.8
145.04945	5.5
149.13252	4.1
163.06017	4.2
177.05461	1.5
177.16368	100.0
178.16704	2.5
184.09439	0.9
185.57391	1.0
195.17438	18.4
213.18475	35.6
219.06514	1.4
225.14742	1.4
358.54562	0.9
473.58081	1.2
473.87714	1.0
554.16400	8.2
555.16736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	18.0
55.05508	32.1
57.03430	21.0
57.07073	16.1
59.32277	7.0
59.88905	7.4
67.05507	98.7
69.03424	60.7
69.07058	35.5
69.50864	32.3
69.51196	9.3
71.01737	9.0
75.58667	8.3
79.05500	61.2
81.03414	52.1
81.07053	100.0
83.08619	17.3
85.02914	12.9
85.10162	9.3
91.05462	51.8
93.07043	78.1
93.98360	7.7
95.04935	14.2
95.08599	84.9
97.02890	42.2
97.10181	8.5
98.98463	24.5
99.04439	9.4
105.07028	49.8
107.08608	48.2
109.02862	23.0
109.06510	10.5
109.10155	37.1
111.04458	11.0
115.03908	12.6
117.07014	15.7
119.08566	30.5
121.10130	33.5
123.11700	15.3
124.93715	16.3
126.86955	9.0
127.03903	20.7
129.07025	12.1
130.68178	7.9
131.08578	48.9
133.10143	21.2
135.11676	38.9
143.08606	17.1
145.10130	25.2
147.11678	34.1
149.13300	12.9
155.01012	36.6
158.25827	8.9
159.11682	14.9
161.09549	9.0
161.13249	16.7
167.55339	8.2
169.83591	10.0
171.11659	10.2
173.13257	15.1
174.75092	8.6
196.22861	8.3
198.97401	67.3
199.97746	11.9
243.21103	8.6
259.20605	10.1
261.22110	29.5
277.21631	15.5
303.23242	18.0
313.27356	22.3
315.23032	11.7
359.25940	9.8
369.24155	31.2
387.25211	35.5
405.26431	28.4
462.20593	20.2
554.25549	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	555.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
64.53091	2.3
65.03938	20.4
67.05485	3.2
70.01028	2.9
70.01373	5.9
79.05502	3.1
82.04195	3.2
85.02887	3.9
93.03395	7.5
95.04967	9.9
107.04964	7.3
108.02063	3.6
110.03647	16.5
111.04432	26.0
119.04980	3.1
121.06493	5.9
121.51528	2.1
125.05972	22.8
128.06255	2.1
133.02847	4.3
135.04398	5.8
137.05988	5.1
149.05943	5.3
151.03900	68.2
151.05029	7.7
152.06200	5.1
153.05457	91.2
153.06845	6.2
163.03992	2.9
165.07043	7.5
167.07030	5.4
168.05568	2.6
170.07281	6.3
177.05429	4.7
178.06221	6.2
181.06488	18.7
182.07225	11.6
183.08080	5.0
185.09627	4.2
195.06416	2.8
195.08075	7.2
196.05394	3.4
196.07262	3.4
197.02046	2.4
197.05983	5.2
198.06720	19.7
199.80519	2.4
211.07568	6.1
213.09070	46.9
219.06479	12.3
225.05501	3.4
225.09053	2.4
226.06223	11.1
236.04694	2.9
238.06197	3.1
239.07097	11.4
241.08549	10.4
251.06969	3.4
253.04947	5.3
253.08688	3.3
254.05721	26.1
255.06580	3.2
256.07404	2.7
266.05783	6.6
267.06433	5.2
268.07181	2.6
269.08069	28.3
270.08627	2.2
281.07977	3.4
283.05884	4.3
297.07532	100.0
298.08057	8.5
299.08939	5.3
301.10788	3.4
309.07465	3.3
313.10663	2.7
327.08630	6.6
329.10153	94.3
333.07648	3.8
334.08115	3.5
335.09143	7.4
341.10126	13.1
359.11221	6.6
554.25940	6.0
555.18329	3.3
555.27155	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	555.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05420	0.4
70.04846	0.5
70.06583	1.3
71.41895	0.6
72.08144	0.8
85.02919	1.4
86.09686	0.8
88.65623	0.5
91.05486	1.1
97.02883	0.5
103.05450	0.9
108.42567	0.5
121.06506	0.5
122.06109	0.5
129.07097	0.7
131.04919	0.9
133.06497	0.6
137.05948	3.6
138.06343	1.1
149.05962	1.3
151.03879	0.6
153.05411	1.4
161.05984	1.6
162.06316	0.5
163.03955	0.9
163.07544	0.8
167.07050	0.7
169.04720	1.1
174.06842	0.7
175.03650	0.9
175.07455	1.0
177.05521	1.9
178.05843	0.8
187.07596	1.3
189.09088	0.7
190.09329	0.8
203.07034	0.8
213.07280	3.5
214.05867	0.5
221.06020	0.8
222.06361	0.9
225.09113	0.7
226.09435	1.0
233.07999	2.2
234.08437	1.6
253.08434	0.6
254.09027	1.6
255.08556	0.8
268.10440	0.5
271.09378	0.4
285.11469	2.3
286.11511	3.6
296.09741	0.6
297.09354	0.7
298.11899	0.5
309.11227	0.7
318.69745	0.5
327.12234	2.8
328.12592	4.6
341.12262	0.5
345.13379	1.9
346.13571	4.1
357.11475	4.3
358.13596	0.6
383.13211	0.5
386.05627	0.4
414.38626	0.5
425.14038	0.8
495.18478	3.2
554.43469	0.9
555.20435	100.0
556.20801	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	555.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58244	0.4
55.05450	0.7
58.71064	0.4
69.06986	0.9
73.02855	0.7
77.07263	0.3
79.05441	0.5
81.06955	1.1
81.07383	0.4
82.72604	0.3
91.05399	0.7
93.06937	1.1
95.04867	0.5
95.08505	0.6
100.11203	0.6
105.06953	0.7
107.08553	0.6
119.08486	1.0
147.04359	0.4
147.11670	0.4
152.97020	0.3
159.04280	0.6
159.07909	0.7
163.03851	0.4
177.05435	6.5
188.04480	0.6
191.03345	2.0
203.03300	6.0
203.05202	2.8
204.04010	0.7
205.04874	0.9
210.14781	0.4
217.04819	0.7
218.05647	0.8
219.06392	1.0
231.06465	4.4
246.08833	1.5
261.11185	61.1
262.11548	1.6
275.07477	2.7
333.03848	0.8
333.07874	15.0
335.09430	51.1
336.09927	0.9
393.18274	0.7
393.23203	2.4
423.16681	0.7
481.50555	0.5
551.46246	0.5
555.27887	100.0
556.28302	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	555.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38059	0.5
53.03918	0.5
56.05000	0.5
57.03429	1.0
58.99562	0.6
61.01145	4.5
61.02917	0.9
67.05498	1.0
69.03416	3.5
69.11374	3.0
70.06577	0.8
71.04971	1.7
71.06113	5.8
72.04522	2.9
72.08141	0.7
73.02885	0.6
76.02219	1.6
77.00623	6.2
78.03788	2.7
81.03416	0.9
84.04501	0.7
85.02911	4.7
86.06055	37.9
87.04478	0.6
89.87924	0.6
95.04942	0.6
97.02882	7.0
98.06047	3.5
98.22727	1.1
99.04453	0.9
100.03968	0.6
102.03766	2.8
103.02133	0.5
105.73663	0.5
113.02325	1.2
113.05968	0.9
114.05537	0.7
115.03906	5.7
115.08680	13.4
118.03228	17.1
120.04808	2.7
124.07545	0.9
125.07113	1.9
127.03884	0.6
130.03214	1.4
131.05214	2.7
131.06262	1.0
132.04756	1.9
137.05959	2.0
142.08632	2.7
142.79694	0.5
147.05853	42.4
149.07443	5.2
157.03134	0.7
157.04350	1.2
173.03752	0.7
174.05835	0.7
175.04222	22.1
184.09674	1.2
192.06892	2.6
219.11583	4.3
234.08098	0.7
263.10571	100.0
264.10919	1.7
269.86649	0.5
273.08911	1.5
305.11472	1.0
374.71585	0.5
375.15799	11.8
393.16766	1.2
406.96704	0.5
425.15768	7.2
537.20721	4.4
555.32306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21226	0.6
55.05503	0.6
57.03419	0.5
57.36358	0.6
61.01137	3.9
61.02899	0.6
68.65240	0.6
69.03419	2.7
69.06757	3.3
70.06583	7.5
70.40247	0.6
71.04987	0.9
71.06104	5.0
72.04508	2.2
72.08145	7.1
76.02223	1.1
77.00624	5.1
78.03769	2.2
81.03412	1.0
83.04971	0.8
84.08131	0.9
85.02888	4.3
86.06057	31.0
86.09649	0.8
95.04929	0.6
97.02892	6.1
98.06030	2.8
99.04453	1.5
100.03999	0.7
101.00594	0.6
102.03765	3.1
111.95116	0.7
112.08700	1.2
113.02357	1.8
114.05496	0.8
115.02160	0.7
115.03922	4.9
115.08675	13.8
116.07042	1.0
118.03232	14.3
120.04770	2.0
124.07569	1.3
125.07122	0.9
128.99976	0.6
130.03207	2.0
130.08621	0.9
131.05209	3.2
131.06331	1.6
131.71506	0.7
132.04785	1.0
137.05963	2.3
142.08595	2.0
143.11749	1.0
147.05852	34.6
149.07420	5.1
150.05396	0.7
157.04280	1.0
175.04222	17.1
175.05618	1.3
175.07535	1.3
184.09741	1.1
185.09258	1.5
187.07597	0.8
192.06882	3.2
219.11671	3.2
223.14394	0.9
255.08107	0.7
263.10574	100.0
264.10886	2.4
273.08948	1.6
278.31390	0.7
305.11581	1.4
311.12756	0.7
375.15799	12.0
389.14005	0.9
393.16925	1.3
407.14658	0.9
425.15845	7.5
537.21570	3.4
555.16791	1.4
555.32416	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	555.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01848	1.0
55.42130	0.7
56.30513	0.6
57.07053	0.8
61.01123	3.0
61.64059	0.6
69.03417	2.2
69.57944	2.3
70.06589	1.4
71.04979	1.1
71.06110	5.1
72.04498	1.2
73.02904	0.7
76.02206	2.4
77.00612	5.6
78.03771	3.3
84.04503	0.7
85.02888	4.5
85.06487	0.7
86.06052	27.4
86.06576	1.4
90.03742	1.0
97.02889	5.1
98.06044	3.8
100.04729	0.6
102.03743	2.2
113.02357	1.1
115.03908	4.7
115.08676	8.5
118.03220	18.1
118.98138	0.7
120.04758	1.8
125.07117	0.7
125.77380	0.6
130.03154	1.2
131.05275	1.4
131.06352	0.7
132.04727	1.0
141.06552	1.0
142.08617	2.4
143.08156	1.3
147.01051	2.5
147.05844	29.2
148.07953	0.6
149.07419	4.5
152.17667	0.6
173.03799	0.8
174.05838	1.0
175.04211	20.4
192.06886	5.2
219.11559	2.5
234.07813	1.0
246.07826	0.9
263.10556	100.0
264.10751	1.7
276.74274	0.7
294.91528	0.7
305.11536	1.0
341.11560	0.8
375.15753	13.9
402.46317	0.7
425.15915	8.4
453.31931	0.7
461.04501	0.7
484.63147	0.7
537.21100	4.3
546.08527	0.8
555.16357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98623	1.5
53.03930	1.9
55.01865	2.9
56.77935	1.4
65.03931	7.0
67.05489	5.6
69.12057	10.0
70.06591	1.7
71.01340	4.3
77.03920	3.0
78.85618	1.5
79.05499	5.3
80.70048	1.5
83.04959	1.5
85.02881	3.3
91.05476	7.1
93.07042	1.9
95.04959	23.4
103.05461	2.0
105.04497	2.4
105.06997	3.6
107.04939	15.7
109.06525	1.9
109.39362	1.7
111.04449	2.5
115.05419	1.5
117.03340	2.7
119.04931	4.0
119.08556	1.9
121.06477	8.9
122.03635	4.2
123.04433	9.5
124.05179	1.7
125.05991	4.6
129.06982	4.3
131.04941	5.0
132.05756	1.8
133.02831	8.0
133.06445	1.8
135.04395	12.4
135.07985	3.3
137.05959	46.1
138.99109	1.5
141.05481	2.8
145.06450	3.3
146.03569	2.2
147.04382	4.2
149.05954	9.2
150.06775	2.2
151.03894	92.6
151.05000	9.9
151.07516	11.2
152.04102	2.0
153.05435	6.2
157.06502	1.7
161.05957	28.6
161.09604	6.0
162.06699	2.6
163.03911	4.1
163.07516	3.5
165.05463	12.4
165.06964	5.0
167.07066	8.9
167.08304	2.1
173.06012	2.0
174.06706	3.4
175.07526	9.6
177.05428	4.3
177.09157	2.0
178.06256	10.0
179.07030	3.9
179.08577	2.6
181.04916	4.6
181.06396	3.9
182.07266	1.9
188.08220	2.4
189.09096	9.4
190.07767	2.1
191.08585	3.4
192.07748	1.9
193.06473	3.5
194.07242	2.7
195.06503	20.8
195.08055	6.4
195.10075	3.7
196.07138	2.9
199.07539	2.9
206.07259	1.7
207.08032	4.3
207.10165	6.5
208.05164	2.4
208.08788	2.2
209.05908	2.6
209.09657	2.3
210.06697	2.9
211.07536	5.4
215.10341	3.7
219.04517	2.2
219.08058	10.8
219.10037	2.9
220.08685	2.2
221.05948	5.5
221.09601	2.2
222.06618	2.9
223.07478	9.5
223.11119	3.5
224.08275	3.2
225.09093	15.4
227.07002	4.5
227.10550	1.6
230.12672	2.0
233.09692	1.7
234.06767	2.2
235.07430	4.6
236.08284	2.0
237.05350	1.8
237.09113	4.8
238.06207	4.0
238.09796	3.7
239.07027	6.2
240.07790	4.8
241.08513	5.9
242.09325	1.9
243.10280	1.8
247.07500	4.5
248.08273	2.8
249.05511	2.1
249.09030	3.2
251.06966	7.1
251.10608	6.9
252.07903	2.0
252.11237	1.7
253.08560	33.1
253.11426	2.1
253.12363	2.0
254.09184	3.5
255.06425	3.9
255.10098	6.8
263.06924	2.1
264.07736	2.5
265.08508	17.6
266.09393	3.9
267.10071	7.9
268.07352	2.8
268.10651	2.1
269.08044	2.6
269.11621	4.7
270.08780	6.2
271.09634	3.7
279.10068	15.8
280.10748	2.5
281.08081	5.0
281.11621	2.3
282.08813	2.9
283.09601	22.2
283.13229	7.1
285.11105	2.6
286.12207	2.9
295.09619	3.5
296.10492	9.7
297.11154	57.6
298.11688	2.3
299.12622	3.2
301.10690	2.9
309.11179	4.1
310.11536	1.8
310.60794	1.5
311.12796	13.7
313.10770	2.5
313.14319	3.9
327.12186	14.0
329.13779	100.0
330.14462	17.2
331.15152	3.0
333.07767	2.5
335.09534	8.5
341.13812	6.9
342.14517	21.5
355.15512	3.7
360.15671	4.4
477.19193	3.3
489.18826	1.9
507.20523	1.9
555.08960	2.8
555.24573	38.5
556.25403	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10422	0.7
56.50807	0.5
62.70916	0.6
65.25375	0.5
71.12574	0.6
74.75108	0.6
82.37955	0.5
90.83654	0.6
91.05471	2.3
95.57253	0.5
105.07011	0.6
119.05038	0.7
120.08104	0.6
121.10133	0.6
130.04411	0.6
135.96204	0.6
140.61333	0.5
146.99870	0.5
160.01259	0.5
206.12022	0.6
209.95366	0.7
245.18990	0.6
250.96599	0.7
258.30914	0.6
316.44879	0.6
333.07886	27.0
335.09424	16.6
378.60797	0.6
393.22452	2.9
397.55426	0.7
423.23706	1.1
471.22162	2.0
555.27734	100.0
556.28125	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	555.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50790	0.4
81.07079	0.5
87.29818	0.4
87.59499	0.4
90.39899	0.5
91.46478	0.4
93.07034	0.8
97.94500	0.4
100.11246	0.6
121.10227	0.5
125.16647	0.4
128.15625	0.4
135.11787	0.4
155.03172	0.7
159.04469	0.5
177.05508	1.2
199.60925	0.4
203.03441	1.1
203.05298	1.7
203.92290	0.4
205.04846	0.4
231.06616	0.5
234.25766	0.4
261.08392	0.7
261.11194	14.7
275.07425	2.5
333.07895	13.5
335.09436	47.2
336.09851	0.7
346.62500	0.4
366.23807	0.4
393.22556	5.4
555.27802	100.0
556.28180	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	555.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	4.0
61.89903	3.9
69.07079	4.1
69.71811	3.1
71.08609	5.3
75.07478	3.9
81.07034	6.2
85.10150	3.7
95.08572	7.2
98.98438	16.9
104.10726	9.6
109.02837	3.6
132.89806	3.7
137.35835	3.2
155.01033	23.9
221.25003	4.2
308.84641	3.3
313.27280	12.9
319.90256	4.0
360.65378	3.6
457.14758	4.7
547.40240	3.8
555.29242	100.0
556.28857	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	555.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.4
57.03434	5.6
57.07085	24.3
57.07339	4.6
57.72616	2.9
59.67132	2.7
60.99183	2.9
67.05496	11.6
69.07064	4.5
69.37575	12.9
70.28944	3.2
71.08624	17.0
81.03414	5.6
81.07053	10.0
83.08617	4.0
85.10180	10.4
95.08595	13.9
98.98462	60.3
100.16046	3.2
107.08539	2.9
109.02834	4.5
109.10112	4.0
143.44893	3.2
155.01028	76.1
239.23723	10.6
313.27371	54.8
328.58325	3.4
393.23935	6.1
441.19254	4.6
555.29382	100.0
556.29559	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	555.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.9
55.05493	3.2
57.03435	7.5
57.07069	33.5
67.05495	10.0
69.03420	1.1
69.07063	6.9
71.08620	22.1
81.03410	7.0
81.07044	14.2
83.08614	10.1
85.10176	14.4
88.21008	0.9
89.00661	0.9
89.06007	3.8
93.07047	1.6
95.08599	17.1
97.10147	4.1
98.98455	82.8
99.04448	1.9
99.11725	1.7
109.02850	5.1
109.10143	9.1
111.11694	1.2
116.99490	2.0
123.11684	3.3
127.03928	1.2
133.08607	2.2
135.10133	1.0
137.13243	2.0
155.01021	100.0
176.92326	3.5
177.11234	1.1
194.93484	5.6
221.22539	1.3
229.24791	1.2
239.23680	9.4
240.23840	1.1
243.02493	1.5
299.05301	1.2
313.27332	66.0
314.27719	2.2
317.06262	7.4
393.23996	5.7
401.28830	3.8
407.80997	1.1
421.14163	1.6
439.15070	2.8
495.18039	6.0
537.19067	1.7
537.27563	2.2
555.18066	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05506	5.9
57.03436	7.0
57.07073	28.5
60.04547	0.8
67.05500	9.6
69.07066	6.6
71.08629	20.0
79.05494	1.6
79.95486	1.0
81.03401	7.6
81.07049	13.6
81.07496	1.1
81.11102	0.7
83.08607	9.3
85.06535	1.2
85.10177	11.7
89.06016	1.9
91.36308	0.7
91.58096	0.8
92.69228	0.8
95.08595	15.9
97.10139	4.2
98.23534	1.1
98.98465	84.3
99.04493	1.5
99.11719	0.9
109.02902	3.1
109.10126	7.5
111.11756	0.9
116.99512	1.4
123.11723	3.0
133.08632	2.3
137.13251	1.2
142.94539	0.9
145.05058	0.8
155.01033	100.0
173.63284	0.8
214.38295	0.9
229.24965	0.8
239.23671	8.5
243.02730	1.7
258.33234	0.8
262.99683	0.8
313.27350	56.1
314.27740	1.6
317.06351	6.9
383.28070	2.1
393.23801	4.9
397.16208	0.9
399.54010	0.8
401.29102	3.9
423.98727	0.9
494.67383	1.1
537.27942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.63758	0.2
56.96557	0.4
64.54132	0.2
64.93948	0.2
69.03423	0.6
71.49077	0.2
77.03893	0.3
79.05482	0.7
80.32227	0.2
81.21294	0.2
82.91446	0.2
83.96669	0.3
84.04499	0.4
84.83302	0.2
85.02879	0.4
91.05477	0.7
93.07028	1.2
95.04965	0.3
97.02885	0.6
98.97558	0.3
103.04774	0.4
103.05452	7.5
107.04932	1.6
109.02825	0.3
115.03912	4.9
120.08085	100.0
121.08423	1.1
131.04915	3.0
133.04930	1.0
145.62495	0.2
148.06020	0.3
149.05965	2.1
166.08607	51.8
167.08969	0.9
170.99709	0.3
259.08072	0.7
277.09061	1.1
305.06766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
67.39277	1.1
69.26675	6.0
84.62605	1.0
85.02882	2.8
91.05495	6.3
92.88823	0.9
93.03369	1.6
94.04164	1.6
103.05454	12.4
105.03390	1.6
105.07008	2.8
107.04920	1.4
109.06493	2.5
111.04436	2.2
113.41580	1.1
115.05438	3.4
119.04920	7.2
122.03619	6.4
125.06002	2.8
128.06210	5.4
129.06984	18.0
131.04913	25.6
133.06471	2.4
137.05960	100.0
138.06287	2.3
143.04892	2.9
144.05650	2.0
145.06462	2.4
147.04395	2.9
149.05928	1.9
151.07500	2.9
153.05438	6.6
157.06470	18.6
160.05180	6.0
161.05956	13.3
162.06708	1.2
163.03891	1.6
163.07509	14.8
165.05469	2.1
172.05165	2.5
174.06776	7.5
175.07532	29.0
179.07001	4.1
185.05969	1.9
187.07523	32.1
189.09082	35.0
199.07626	2.1
203.08496	2.8
205.08525	5.1
207.10136	2.9
217.08586	8.5
219.08017	3.4
231.08003	3.7
240.07907	1.0
247.07504	3.4
248.08281	1.6
250.12572	1.5
251.10666	3.3
251.31566	1.1
255.06459	1.5
259.07535	2.8
263.10620	3.9
264.07559	1.2
270.08847	3.5
271.09595	3.6
276.07809	1.9
279.10120	5.4
280.11209	1.2
283.09604	2.5
291.10126	11.4
296.10233	3.0
308.10477	1.6
309.11420	1.1
311.12738	18.5
313.14374	1.2
323.12704	15.5
329.13828	1.9
341.13788	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
67.39277	1.1
69.26675	6.0
84.62605	1.0
85.02882	2.8
91.05495	6.3
92.88823	0.9
93.03369	1.6
94.04164	1.6
103.05454	12.4
105.03390	1.6
105.07008	2.8
107.04920	1.4
109.06493	2.5
111.04436	2.2
113.41580	1.1
115.05438	3.4
119.04920	7.2
122.03619	6.4
125.06002	2.8
128.06210	5.4
129.06984	18.0
131.04913	25.6
133.06471	2.4
137.05960	100.0
138.06287	2.3
143.04892	2.9
144.05650	2.0
145.06462	2.4
147.04395	2.9
149.05928	1.9
151.07500	2.9
153.05438	6.6
157.06470	18.6
160.05180	6.0
161.05956	13.3
162.06708	1.2
163.03891	1.6
163.07509	14.8
165.05469	2.1
172.05165	2.5
174.06776	7.5
175.07532	29.0
179.07001	4.1
185.05969	1.9
187.07523	32.1
189.09082	35.0
199.07626	2.1
203.08496	2.8
205.08525	5.1
207.10136	2.9
217.08586	8.5
219.08017	3.4
231.08003	3.7
240.07907	1.0
247.07504	3.4
248.08281	1.6
250.12572	1.5
251.10666	3.3
251.31566	1.1
255.06459	1.5
259.07535	2.8
263.10620	3.9
264.07559	1.2
270.08847	3.5
271.09595	3.6
276.07809	1.9
279.10120	5.4
280.11209	1.2
283.09604	2.5
291.10126	11.4
296.10233	3.0
308.10477	1.6
309.11420	1.1
311.12738	18.5
313.14374	1.2
323.12704	15.5
329.13828	1.9
341.13788	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46767	0.8
65.03904	1.3
69.03400	1.5
69.89736	2.9
70.06578	2.7
79.05489	1.2
79.43629	0.8
81.03403	1.7
81.07024	0.9
83.04949	1.0
85.02883	4.5
91.05491	1.2
93.03410	1.0
94.04167	3.1
97.02903	1.5
98.23434	0.9
103.05430	6.8
109.02807	1.0
109.06497	2.3
111.04430	2.1
115.05459	3.0
116.07046	1.5
117.06995	1.2
122.03631	5.3
125.05961	2.5
127.03873	1.2
128.06200	3.4
129.06978	19.0
131.04904	15.6
131.08580	1.3
132.05276	1.0
137.05951	100.0
138.06287	1.4
143.04904	3.0
144.05641	1.2
144.27901	0.9
145.06439	2.9
146.03601	1.1
146.07179	0.9
149.05946	1.5
151.03879	1.2
151.07527	2.0
153.05443	8.1
157.06470	17.4
158.07144	1.3
160.05174	3.9
161.05956	3.5
163.07512	7.3
172.05177	3.6
174.06750	6.9
174.34944	0.9
175.04198	1.2
175.07526	36.6
179.07071	0.8
187.07515	37.2
188.07872	0.9
189.09071	31.0
190.04965	5.5
190.09457	1.1
191.08566	1.3
199.07591	1.9
203.08539	2.4
205.08591	4.2
207.10161	3.0
211.07510	1.1
217.08545	9.7
219.08057	4.7
219.10013	1.4
220.08731	1.5
231.08020	3.2
231.19395	0.8
235.09593	1.5
239.07420	1.0
247.07475	2.7
248.08252	2.8
249.12305	2.5
250.12630	2.8
251.10660	1.6
255.06578	1.6
259.07465	1.3
260.08215	2.3
261.09113	1.3
263.10626	5.7
264.07867	1.1
264.10800	1.2
266.12360	1.9
267.12973	1.5
270.08801	4.2
271.09558	3.2
276.07806	1.8
279.10092	5.8
283.09567	3.0
291.10074	8.8
292.10553	0.9
293.07971	1.2
296.10376	2.6
311.12704	18.0
323.12708	17.3
329.13776	2.1
341.13806	24.0
394.11197	1.2
437.12564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21815	1.1
70.06575	5.9
79.05500	1.3
79.48314	1.1
81.03412	1.6
85.02887	1.4
86.09683	1.3
91.05480	1.8
93.03354	1.0
94.04179	2.2
95.04953	1.2
96.66782	1.0
98.05894	1.1
103.05468	6.3
107.04942	1.8
109.89700	1.1
109.98621	1.1
111.04443	1.7
115.05390	2.9
122.03646	4.1
125.05970	2.6
128.06223	2.7
129.06978	15.8
131.04916	15.5
137.05959	100.0
138.06319	1.3
143.04895	2.8
144.05618	1.6
145.06476	1.9
147.08003	1.2
147.53406	1.1
149.05977	1.2
151.03931	2.9
151.07497	2.9
152.15709	1.1
153.05438	9.5
157.06459	19.4
157.07655	1.6
160.05220	5.2
161.05942	6.3
162.06682	2.3
163.07516	9.3
172.05162	4.0
174.06702	5.7
175.07526	36.6
177.09102	1.4
187.07521	44.9
189.09074	34.7
190.04996	3.0
191.08527	1.3
199.07460	1.8
203.08540	2.6
205.08595	4.7
207.10100	3.3
211.07469	1.6
217.08559	13.2
219.08029	3.2
219.10069	1.5
220.08653	1.0
231.08035	3.6
235.09700	2.5
247.07425	2.3
248.08298	3.0
249.12221	2.0
250.12822	1.9
259.07529	2.0
263.10632	5.9
265.08472	1.6
266.12585	1.5
267.13095	1.2
270.08795	3.2
271.09564	3.8
276.07770	1.7
279.10156	5.0
283.09650	2.5
291.10104	10.2
296.10400	1.9
308.10458	1.3
311.12708	18.2
323.12747	17.1
324.13202	1.5
329.13770	2.7
341.10089	4.5
341.13757	30.4
341.17636	2.1
367.39691	1.2
394.11267	2.4
507.98328	1.5
556.20197	1.6
557.18195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65648	2.8
69.34323	7.0
69.34708	7.6
79.05495	6.7
81.03446	3.0
85.02892	9.7
91.05473	6.5
95.04956	6.5
97.02905	3.8
103.05464	15.3
105.07018	7.2
107.04948	28.8
119.04988	4.7
121.06451	3.9
122.03639	3.4
131.04933	19.6
133.02867	3.0
135.04381	6.5
135.08038	9.4
137.05966	100.0
138.06546	3.9
146.03673	3.2
147.04459	5.2
149.05966	11.7
151.03891	41.4
151.07574	3.9
153.05455	7.2
161.05988	10.9
163.07527	53.7
167.06972	4.8
178.06267	11.6
179.07079	7.0
181.08597	29.9
189.08952	4.0
195.06496	3.4
197.08139	4.1
203.07033	3.9
207.10202	9.2
231.78842	2.8
255.08278	3.1
327.12289	11.4
329.13800	8.1
359.14987	13.1
377.15912	40.7
444.96994	3.3
518.54413	3.6
556.17761	3.1
557.25659	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	556.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.1
69.03422	0.9
69.07039	1.1
70.06560	1.1
79.05487	0.7
79.35042	0.7
80.41818	0.8
81.07034	1.1
84.51164	0.8
85.02885	1.4
91.05458	6.2
95.04939	1.1
103.05486	1.3
105.07001	4.4
105.90628	0.8
107.04935	3.1
118.04121	1.0
119.04922	3.3
121.06493	2.2
123.04420	1.4
123.11662	0.9
128.06218	0.9
129.06979	3.9
131.04916	3.7
131.08549	2.9
133.06476	1.1
133.10109	1.1
135.04381	1.5
135.08035	1.6
137.05963	15.8
145.06419	1.0
146.07245	3.4
147.04367	1.1
147.08047	1.7
148.05142	2.5
149.05942	1.8
151.03888	2.4
151.07527	5.9
157.06476	2.5
159.08014	0.9
161.05957	100.0
161.09579	24.3
162.06337	2.0
163.07535	3.1
163.85416	0.8
166.35957	0.8
174.06726	3.2
175.07512	10.5
177.05414	1.0
177.09088	1.4
187.07549	0.9
189.09081	51.9
191.06995	2.2
195.10132	2.6
197.15428	0.9
197.19165	0.8
201.09134	0.9
207.10136	79.5
208.10454	1.7
211.07396	0.9
215.16454	0.9
219.10139	4.3
221.06021	1.3
237.09181	1.2
247.07437	1.0
249.09061	0.9
253.08519	0.9
265.08542	2.1
277.08609	1.2
279.10248	0.8
283.09698	0.8
285.11014	1.5
297.11185	3.2
309.11002	1.5
311.12759	3.9
315.12225	1.2
323.12805	1.9
325.10599	1.0
329.13705	1.9
337.14252	4.4
355.10944	0.9
355.15381	18.0
356.89740	1.0
367.15308	2.3
385.11414	1.0
385.16260	1.9
461.19476	1.2
479.20795	3.7
509.21722	1.3
517.94666	0.9
542.18982	0.9
556.28534	1.0
557.20129	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	556.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01869	5.6
55.35695	0.4
55.64352	0.4
56.93053	0.4
57.03430	1.4
59.04996	1.3
61.02920	0.7
62.13842	0.4
68.72743	0.5
69.03422	9.0
69.68623	0.6
69.68978	1.5
71.04970	0.6
73.02917	0.8
74.72495	0.4
81.03413	3.5
85.02896	8.0
87.04467	5.5
97.02886	12.5
99.04442	1.0
105.07049	0.5
109.02894	2.9
115.03919	100.0
116.04245	1.0
127.03899	7.0
131.04910	1.0
133.04951	17.7
137.06004	1.8
141.09041	0.6
145.04927	3.2
148.56271	0.4
151.07501	0.8
158.22867	0.5
161.05963	8.1
161.09608	1.2
175.07504	0.9
187.06073	0.7
189.09125	3.8
207.10149	8.5
209.11624	0.9
241.07086	1.8
242.60271	0.5
259.08109	11.1
277.09155	19.0
277.12192	1.0
311.12888	0.6
337.14310	0.6
341.15887	2.0
355.15393	2.0
365.18427	0.5
459.70526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01876	1.5
55.05502	8.1
57.03431	2.1
57.06789	1.1
57.07061	7.3
64.53672	1.2
65.03895	1.4
67.05156	1.8
67.05495	24.5
69.03424	9.8
69.07056	8.4
70.69523	1.2
71.04981	1.8
71.08611	4.2
79.05479	8.6
81.03407	16.1
81.07047	24.8
82.45473	1.2
83.04964	1.5
83.08593	5.8
85.02894	4.2
85.10148	2.1
87.04433	5.2
87.07480	1.1
89.06016	100.0
91.05475	7.9
93.07032	9.0
93.25123	1.3
95.04946	3.4
95.08588	17.0
97.02882	6.8
97.06483	1.8
97.10150	3.5
99.08096	1.4
105.07021	6.6
107.07051	3.5
107.08556	7.0
109.02879	3.8
109.10140	8.1
111.04444	3.5
115.03927	1.4
117.06990	2.7
119.08575	5.9
121.10114	6.1
123.11692	2.3
127.03902	3.3
131.08540	5.0
133.08588	60.5
133.10135	4.8
135.11671	3.4
137.09605	1.4
137.13153	1.4
143.08478	1.4
145.10066	2.2
147.11679	4.3
149.13206	3.1
157.06403	1.2
157.10149	2.7
159.11703	1.9
161.13222	3.4
163.14751	1.7
169.10156	1.4
173.13298	1.7
175.14774	2.6
177.11201	22.2
179.14351	1.2
221.13809	4.6
239.14845	1.4
245.22668	3.0
263.23682	4.7
275.23813	1.3
279.22974	1.5
283.17532	2.5
283.26257	3.4
293.24817	2.5
303.22968	2.3
305.24716	1.8
317.24536	1.5
327.20038	3.0
343.26254	1.8
353.24890	2.3
355.95288	1.3
361.27826	1.2
371.22250	25.5
389.26971	6.8
407.27914	7.6
556.35907	1.5
556.44177	1.5
556.52692	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	556.965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98628	0.3
55.46023	0.3
56.96553	5.3
69.39059	0.5
69.39412	1.2
78.81692	0.3
98.97565	60.6
116.98602	37.8
130.93283	0.3
134.99634	13.9
142.77866	0.3
147.57832	0.3
153.00655	1.0
154.93349	0.5
158.92009	0.3
172.94324	2.4
177.00797	0.3
190.95358	3.3
197.95210	0.4
208.96419	0.8
214.95309	2.4
216.98659	0.3
230.93356	0.4
232.96416	6.8
248.94455	0.4
250.97473	3.4
254.93225	0.4
256.96353	15.8
257.96924	0.4
258.99811	1.8
260.99637	0.3
263.02588	0.4
272.94370	0.7
274.97458	100.0
275.97754	1.3
276.97903	0.6
277.00705	3.0
278.96823	0.3
279.00592	0.3
282.99899	0.8
288.92017	0.5
288.98984	0.5
290.95425	0.9
292.98514	58.3
293.98703	0.6
297.99094	1.3
298.97607	0.8
300.97876	0.4
301.01077	1.1
302.01447	0.3
303.00717	0.5
306.93317	0.4
310.99106	0.4
311.80106	0.3
314.95505	0.7
316.00073	0.6
316.98648	1.2
317.98856	0.4
318.98477	0.5
332.96622	0.6
348.94330	0.5
364.92163	0.4
388.92007	0.4
390.95615	0.9
398.97742	3.0
401.00922	0.4
403.00269	0.3
406.51825	0.3
414.95303	26.1
415.95950	0.5
416.98618	8.4
417.99036	0.3
430.93277	0.6
432.96378	33.6
433.96783	0.7
434.99634	1.4
440.99750	0.3
445.02127	0.5
448.94720	0.4
450.97476	5.9
455.98010	1.0
459.71759	0.3
472.94177	1.1
487.08115	0.3
514.95178	0.3
519.21252	0.4
556.96423	9.3
557.96765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1993
Annotation	Roritoxin D
Peak:m/z	Relative Intensity
56.29609	0.5
56.88282	0.5
67.05505	0.8
69.03411	1.4
69.07056	0.6
69.49158	2.4
72.08148	0.7
79.05481	0.5
81.07046	1.3
83.04974	0.6
85.02894	3.3
86.03210	0.7
86.09684	1.3
91.05478	0.7
95.08591	1.2
97.02876	1.3
98.23473	0.9
105.07019	0.8
109.10117	1.6
115.03909	0.8
123.11674	2.0
127.03914	0.9
129.41618	0.5
137.05968	0.6
137.13213	0.8
145.04935	1.4
151.03877	1.6
161.05939	3.9
161.09583	1.2
162.06305	1.4
163.06020	1.1
168.99843	0.5
179.17938	1.0
180.18279	0.6
189.09071	1.0
190.09389	0.7
192.55563	0.5
197.19012	1.4
197.39026	0.5
198.19356	0.8
206.04375	0.5
207.10068	3.1
208.10469	1.8
215.16405	0.6
223.09615	3.5
239.04642	0.5
303.12366	0.8
557.19702	100.0
557.26617	4.8
558.20087	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	557.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89465	0.6
52.68809	0.6
56.78538	0.6
63.34669	0.6
70.71062	0.7
94.58299	1.0
112.80610	0.6
209.73973	0.7
386.07150	0.7
395.23984	100.0
396.24478	3.5
398.33133	0.7
557.29260	90.9
558.29407	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	558.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65014	2.2
55.01831	2.5
56.97941	2.2
61.98858	2.2
69.03427	4.7
70.06596	2.8
70.51629	5.6
78.95370	2.2
78.99765	2.3
79.05475	6.4
85.02896	7.5
91.05466	21.5
93.06993	2.8
95.04957	5.9
97.02879	6.5
103.05424	16.2
105.07030	10.0
107.04942	23.7
109.02884	2.7
115.03952	2.9
115.05460	5.8
117.91370	2.1
119.04926	16.0
121.06461	4.1
122.03626	4.0
129.06984	8.2
131.04883	19.0
133.02837	7.2
133.06482	7.8
135.08044	6.2
137.05960	84.4
145.06464	2.5
146.07272	5.0
147.04405	13.3
147.97029	2.2
149.05945	13.0
151.07518	48.9
153.05243	2.4
155.46892	2.2
157.06477	5.9
161.05963	90.3
161.09566	17.7
162.06712	9.0
163.07507	55.1
165.09213	3.5
174.06718	6.4
175.07498	11.2
179.06995	3.2
181.08554	12.3
189.09071	54.7
191.06924	2.7
195.08086	4.9
207.10139	100.0
211.62103	2.7
219.10159	6.0
221.09547	4.0
227.10596	10.7
233.09502	3.6
253.08678	4.6
253.12169	8.0
255.10136	9.8
262.35483	2.3
265.08585	3.6
267.10019	5.1
269.07968	3.0
281.11841	3.9
285.11206	10.9
287.12775	33.1
293.11591	2.7
299.12885	6.6
311.12683	15.8
313.14252	33.5
331.15335	71.7
332.15915	3.1
343.15216	7.8
419.37186	2.8
539.83264	2.6
558.15961	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	558.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84006	2.9
53.57343	3.1
57.03426	3.6
69.03413	12.3
69.98952	4.4
69.99290	7.5
79.05505	5.0
81.03414	5.5
85.02890	20.1
91.05447	17.0
91.61112	2.9
93.58675	3.5
94.14130	3.9
95.04941	6.7
96.37224	3.4
96.69975	3.0
97.02876	8.6
98.23378	6.0
103.05456	10.9
105.07018	11.9
107.04964	27.3
107.15867	2.9
115.03938	6.8
115.05466	3.7
117.07025	3.5
119.04918	12.5
121.06504	11.6
122.03643	5.4
127.03938	12.6
129.06981	5.7
131.04950	19.8
133.02878	16.0
133.06480	23.6
135.08031	6.5
137.05956	100.0
145.04987	5.0
145.06429	5.1
146.07196	4.9
147.04396	12.9
149.05981	20.6
151.07521	42.4
157.06479	6.4
161.05954	76.4
161.09628	12.5
162.06726	9.4
163.07512	66.1
165.09123	8.4
174.06827	3.9
175.07512	14.6
177.05467	7.1
177.09103	6.2
179.07025	27.2
181.08585	16.6
187.07466	4.4
189.09097	42.5
191.06958	8.3
203.06978	4.4
207.10135	96.6
227.10629	6.8
244.62895	3.5
247.37880	3.3
249.11159	4.3
271.23480	3.5
273.11276	4.8
285.11212	4.3
287.12756	9.6
291.12347	10.5
297.11389	6.5
299.12857	4.0
313.14294	14.0
325.14377	4.8
331.15277	38.5
343.15387	10.7
380.72321	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	558.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	16.4
69.76720	9.7
69.77045	18.9
77.79029	8.4
80.16567	7.8
83.08603	8.9
84.25385	7.5
85.02876	27.9
91.05466	22.4
97.02861	9.4
98.29907	8.2
103.05416	10.0
103.32171	7.8
105.07038	21.9
105.53825	9.8
107.04926	29.5
119.04874	12.8
121.06447	15.6
123.86720	7.3
131.04942	17.0
133.02809	19.4
133.06496	25.4
137.05952	100.0
147.04361	19.4
149.05972	21.8
151.07550	24.5
157.06398	8.5
161.05969	91.0
161.09633	23.1
162.06714	8.4
163.07489	52.5
175.07387	10.4
177.05450	8.2
179.07014	25.5
181.08595	13.5
189.09094	47.9
199.16934	17.4
207.10126	84.8
229.08585	8.8
273.11185	8.2
313.14212	9.9
318.84079	8.0
331.15308	26.4
343.15723	8.7
559.27374	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	558.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91380	3.9
79.05484	3.3
85.02892	4.0
87.65418	2.3
91.05479	18.0
93.52412	2.3
94.04186	3.5
95.04960	3.9
100.78565	2.6
103.05458	16.7
105.07005	10.1
107.04946	30.8
109.06491	2.6
113.22979	2.6
119.04924	17.3
121.06494	6.9
122.03689	5.5
129.06990	6.9
131.04892	25.5
133.02808	2.8
133.06494	6.8
135.08037	8.1
137.05966	87.3
145.06453	3.4
146.07253	3.7
147.04355	13.4
148.05139	3.6
149.05969	9.8
151.07527	58.0
157.06488	6.6
161.05963	94.6
161.09604	26.9
162.06758	7.8
163.07524	55.1
175.07503	13.0
177.09032	4.2
179.07033	4.6
181.08542	14.7
189.09106	60.7
189.10805	3.3
191.06981	3.5
194.07207	3.1
195.08061	11.2
195.09746	2.3
207.10155	100.0
219.10234	8.5
221.05986	3.0
221.09644	3.9
223.07494	3.6
225.08983	3.1
227.10655	13.5
228.71600	2.8
236.51349	2.4
253.08548	4.2
253.12198	5.2
255.10133	9.2
281.11691	5.6
285.11224	10.5
287.12671	36.0
297.11166	3.1
299.12881	5.4
311.12781	12.4
313.14346	32.5
325.14343	3.7
331.15359	74.7
331.19345	3.6
332.15634	4.3
343.15308	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20010	6.1
67.05495	29.6
71.85546	5.4
76.75224	5.6
79.05482	19.2
81.07053	22.8
91.05482	20.9
91.16882	5.4
93.07037	22.6
95.08607	19.3
105.07037	18.4
107.08568	8.0
108.32865	5.5
109.10172	7.7
119.08560	12.8
121.10148	8.4
122.74934	5.1
131.08571	18.0
132.58463	5.6
132.64122	5.6
133.10075	13.7
147.11707	9.1
149.13231	7.3
157.10156	9.5
171.11716	8.5
189.16225	9.7
203.17981	8.9
245.22665	6.6
269.22650	10.2
287.23730	19.9
295.46323	5.6
305.24661	8.6
558.29498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94401	6.8
53.03941	11.7
55.05507	38.3
57.07073	30.2
67.05499	51.9
69.03418	40.7
69.07066	61.6
70.06590	28.1
70.46815	7.0
71.04972	7.3
71.08642	15.0
71.21284	7.5
73.57754	5.3
73.87012	6.6
79.05491	24.8
81.03410	75.9
81.07048	64.8
83.08622	45.4
85.02896	25.5
88.07629	36.1
91.05466	10.2
93.07056	35.0
95.05005	6.6
95.08584	43.2
97.02872	37.6
97.10162	18.7
99.04493	9.4
102.09164	38.1
102.15168	6.1
107.08582	20.6
109.02876	16.2
109.06547	8.6
109.10136	23.0
111.04449	8.6
111.08051	9.9
115.03912	6.1
121.10141	22.9
127.03883	18.6
135.11691	24.1
145.04884	9.0
146.09067	7.4
147.11748	7.2
149.13246	14.3
191.79581	7.1
200.31923	6.8
256.26352	100.0
265.25269	20.8
284.29492	16.1
373.27472	33.8
391.28442	48.4
409.29257	38.2
427.30551	9.3
557.53375	8.0
558.43628	77.7
582.62073	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	559.1571
Annotation	Planifolin
Peak:m/z	Relative Intensity
69.72598	2.3
69.72957	0.9
83.21538	0.7
83.25480	0.9
95.39103	0.8
98.22759	1.8
98.23371	1.8
271.06332	0.9
397.10391	100.0
398.10696	3.4
448.72745	0.9
559.15607	91.0
560.15594	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1573
Annotation	Planifolin
Peak:m/z	Relative Intensity
51.36348	2.6
53.45436	2.5
56.00266	2.8
56.56283	2.8
86.09673	4.5
133.10193	3.9
136.12126	2.4
167.07072	8.4
264.81873	3.4
317.18527	2.8
409.48001	3.3
497.31027	21.6
559.15717	100.0
559.30536	74.6
560.16107	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	559.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	7.8
57.96157	9.9
67.85266	8.1
69.81230	30.0
81.07037	22.3
83.06088	30.3
84.04491	100.0
85.02877	9.4
86.09679	9.0
91.05502	13.2
93.07016	18.1
95.08594	13.6
98.97558	12.9
99.18545	8.3
101.07133	31.1
105.06979	11.8
107.08566	11.4
121.10123	16.9
129.06575	50.6
130.05020	61.6
130.06512	27.1
133.10117	14.5
133.62904	9.5
134.13828	8.3
137.05974	21.1
139.11511	7.4
147.07664	36.3
147.11685	14.0
151.04001	8.5
153.71678	8.5
181.16043	9.0
198.07408	7.7
231.17429	13.8
237.02740	23.4
249.18365	58.3
266.21219	24.3
284.21957	11.9
361.76816	9.8
377.24277	34.4
383.77032	10.5
395.25409	23.3
397.12573	13.9
412.28317	10.1
449.60635	8.6
473.52499	9.5
523.31006	13.1
524.29681	19.7
559.14856	71.7
559.23047	65.1
559.31000	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	0.8
59.94537	0.7
67.05484	1.4
69.03419	1.8
69.35311	3.4
71.04982	38.2
77.25993	0.7
80.33097	0.7
81.03395	2.9
82.30240	0.6
84.04462	1.4
85.02884	2.9
85.06532	6.5
88.39978	0.7
89.44530	0.6
95.04937	2.0
95.08566	0.8
97.02878	4.3
99.04433	1.1
103.07572	0.9
104.30139	0.7
109.02849	2.6
110.20012	0.6
113.06004	5.8
119.08582	0.7
121.10145	0.8
127.03889	2.9
127.07533	19.7
130.04945	0.7
131.07010	8.5
132.04420	1.8
136.07608	0.8
145.08572	100.0
146.08836	1.2
155.07109	0.8
162.05460	1.7
164.07011	1.4
173.08121	2.1
175.02650	2.8
185.08128	0.8
190.04967	17.4
191.09146	6.0
204.06529	3.6
208.06065	2.9
214.04999	1.5
232.06052	7.8
250.07153	2.8
256.05923	1.0
257.10059	1.0
272.08972	0.9
298.07001	2.0
299.11441	1.2
308.41495	0.7
316.08121	1.6
317.12140	0.9
335.13098	2.0
359.74637	0.8
506.16223	1.3
524.17639	5.8
556.45856	1.0
559.30444	2.9
568.27405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13876	1.4
81.03410	0.8
85.02889	0.8
98.81777	0.3
99.04456	0.5
103.05418	0.4
109.02859	1.2
112.12474	0.2
130.06514	100.0
131.06851	2.1
144.08003	0.3
152.78569	0.2
172.07556	3.1
176.07034	1.1
192.38405	0.2
200.07054	1.3
205.07112	0.9
233.36473	0.3
272.40802	0.3
320.11108	0.3
335.14026	0.3
350.25711	0.3
362.12274	5.2
363.12640	0.3
380.13513	2.2
408.55945	0.2
507.41205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
61.02909	0.3
63.50994	0.2
69.03409	0.3
70.73882	0.3
71.04962	0.3
73.22684	0.2
81.03398	2.1
85.02879	0.5
99.04452	0.5
103.05447	0.7
109.02860	2.3
123.04417	0.2
127.03887	0.9
130.06505	100.0
131.06851	1.2
144.08070	0.6
170.06035	0.3
172.07535	1.6
176.07054	1.0
187.06079	0.4
202.08340	0.2
274.10516	0.3
297.52026	0.2
320.11267	0.4
344.11322	1.1
344.14755	0.2
362.12262	16.8
363.12552	0.6
380.13235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67433	0.3
55.27074	0.3
63.60215	0.3
67.70223	0.3
71.07552	0.4
71.08701	0.3
75.90064	0.3
81.03402	1.3
84.51038	0.3
85.02882	0.5
86.09689	0.5
86.86107	0.3
99.04449	0.5
103.05457	0.7
108.69233	0.3
109.02862	1.3
123.04377	0.6
127.03925	0.9
128.04915	0.3
128.56862	0.3
129.05659	0.3
130.06509	100.0
131.06894	1.4
158.05948	0.4
172.07559	0.9
176.07045	3.4
200.07042	0.8
205.07051	0.3
283.08466	0.4
362.12311	4.8
380.13293	2.8
559.17255	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01875	0.2
59.76322	0.2
67.05500	0.2
67.35077	0.2
68.99790	0.4
69.03423	0.3
71.04972	0.2
73.26485	0.2
77.03910	0.4
77.23173	0.2
81.03406	2.1
83.60392	0.2
84.08118	0.2
85.02869	0.5
95.04950	0.5
99.04452	0.4
103.05445	0.7
105.79589	0.2
107.04931	0.2
109.02862	2.0
111.04414	0.3
115.05416	0.2
117.47717	0.2
119.04910	0.3
121.02760	0.2
123.04405	4.8
127.03892	1.4
128.04895	0.2
129.10249	0.2
130.06508	100.0
131.04933	0.4
131.06850	1.9
133.02887	0.2
135.04387	0.7
137.02325	0.2
139.03894	2.8
141.54121	0.2
144.08057	0.5
147.04384	1.3
151.03922	0.3
159.04456	0.2
161.05949	0.2
163.03908	1.9
165.05386	0.3
166.39966	0.2
172.07581	1.5
175.03920	0.5
176.07063	1.3
177.05391	0.2
183.04520	0.2
187.03893	1.9
187.05890	0.4
189.05388	0.2
191.03291	0.2
193.05042	0.2
201.05371	0.4
203.03363	0.7
205.07028	0.5
213.05420	0.4
217.04890	0.2
223.07878	0.3
229.04930	0.4
230.05515	0.2
238.08549	0.3
241.04974	0.4
241.10478	0.2
245.04382	0.6
247.05760	0.3
255.06506	0.3
257.04453	0.5
258.05243	0.4
259.05981	0.5
267.06464	0.3
269.04376	0.6
271.06058	0.4
275.96338	0.2
283.05963	0.5
285.07535	0.3
287.05402	0.3
295.06082	0.3
302.10223	0.2
307.05835	0.2
311.05496	0.4
320.11319	0.5
329.08499	0.2
333.07294	0.2
344.11179	1.1
355.08057	0.6
361.07132	0.3
362.12277	18.9
363.12466	0.6
367.08066	1.2
379.07962	0.3
380.13449	0.7
389.06271	0.3
391.08112	1.0
407.07547	2.8
409.09167	1.6
419.07578	0.3
421.08942	0.6
427.58081	0.2
433.09021	0.3
437.08627	0.4
506.16281	0.2
541.11249	1.7
559.12598	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89830	0.1
69.03419	0.5
77.03878	0.1
81.03400	1.3
85.02888	0.8
86.09680	0.3
95.04940	0.2
97.02870	0.2
99.04440	0.5
103.05452	0.5
109.02868	1.3
127.03910	0.6
130.06505	100.0
131.06851	1.7
137.05948	0.3
144.08052	0.4
145.04959	0.3
151.03864	0.2
158.06004	0.2
159.45607	0.2
172.07535	2.1
176.07088	1.2
200.07013	0.4
205.07002	0.9
214.86903	0.2
221.44676	0.2
315.77573	0.2
320.11218	0.3
344.11255	0.5
362.12299	7.5
363.12961	0.2
380.13409	1.3
397.12656	0.4
489.29153	0.2
559.16101	0.4
559.23407	0.6
559.30444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2873
Annotation	Annomuricatin C
Peak:m/z	Relative Intensity
53.34103	0.3
55.05501	0.3
57.03430	0.3
66.64006	0.3
67.05495	0.5
69.07053	0.4
69.65784	1.1
79.05499	0.6
81.07081	0.6
84.69235	0.3
91.05469	0.4
93.07046	0.5
95.08609	0.3
98.23473	0.5
98.95753	0.3
105.07014	0.3
146.48656	0.3
150.77959	0.3
291.19470	0.6
395.19373	0.3
489.01312	0.3
559.28711	100.0
560.29004	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	559.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14561	0.6
58.36652	0.5
59.71870	0.7
63.96892	0.6
67.05511	0.7
69.03429	0.7
75.26114	0.7
81.07057	1.0
95.08601	0.8
97.06506	0.6
107.08633	0.8
397.25439	1.7
497.30774	36.0
498.31512	1.6
499.29074	1.1
541.29559	1.9
559.30817	100.0
560.31165	5.0
571.34082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14561	0.6
58.36652	0.5
59.71870	0.7
63.96892	0.6
67.05511	0.7
69.03429	0.7
75.26114	0.7
81.07057	1.0
95.08601	0.8
97.06506	0.6
107.08633	0.8
397.25439	1.7
497.30774	36.0
498.31512	1.6
499.29074	1.1
541.29559	1.9
559.30817	100.0
560.31165	5.0
571.34082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
56.05029	8.9
56.56504	0.8
67.05492	5.6
69.07058	2.4
71.41437	1.1
79.05482	6.9
81.07055	7.1
83.05672	0.9
83.06097	35.4
83.08595	4.1
84.04496	100.0
85.02885	1.8
85.06524	1.5
91.05492	6.2
93.07034	9.9
95.04982	1.0
95.08602	5.8
97.06519	2.3
97.10143	1.6
99.08092	1.3
101.07127	17.9
102.05535	6.7
104.55741	0.8
105.07025	3.1
107.08586	7.8
108.20148	0.9
109.10154	3.6
109.53935	0.8
111.08092	1.3
112.03918	1.2
117.06960	0.9
119.08584	5.7
121.10130	16.1
122.46996	0.9
123.08076	2.1
125.09582	1.0
129.06587	44.0
130.04987	50.5
131.08577	3.3
133.10103	7.2
135.08089	2.3
135.11655	6.8
137.09602	8.2
139.07544	1.8
145.10179	1.9
147.07625	29.1
147.11703	3.3
149.09625	3.8
151.11168	5.7
153.09071	3.8
162.47096	0.9
171.11716	1.8
187.14883	1.0
203.17865	2.0
213.16295	5.4
221.19032	2.2
231.17462	7.5
248.20015	2.4
249.18456	35.2
250.18773	1.7
259.17822	0.9
266.21146	18.4
266.23553	0.6
284.22144	8.7
332.21960	1.0
333.78912	1.1
350.23245	3.1
351.42371	0.9
359.23355	2.6
367.25809	1.0
377.24319	34.1
378.22449	5.7
394.27011	1.5
395.25296	20.6
412.28033	10.2
413.26514	3.2
478.29050	0.9
479.27585	1.0
496.29880	2.4
505.29907	1.6
506.28394	3.7
507.27042	1.7
523.31256	6.5
524.29584	12.7
541.32416	7.0
559.16968	4.9
559.24060	2.0
559.31244	2.3
560.37885	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	559.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.5
55.05502	34.9
57.03424	13.1
65.03942	3.0
67.05493	100.0
69.07056	25.5
69.12035	16.9
71.05002	3.5
79.05479	96.3
81.03413	7.4
81.07043	81.4
83.04961	10.8
83.08598	8.4
85.06500	2.9
91.05466	64.2
93.07030	82.6
95.04951	30.5
95.08594	50.2
97.06528	6.7
97.10147	4.5
103.05465	3.0
105.04496	6.1
105.07015	47.6
107.04931	5.4
107.08586	26.7
109.06479	6.8
109.10126	16.7
111.08076	2.7
117.07002	11.8
119.08559	29.7
121.06501	3.0
121.10147	17.5
123.08039	5.0
123.11662	4.9
123.18777	2.7
128.84708	2.5
129.06973	13.8
131.08568	15.4
133.10117	14.2
135.11673	11.6
143.08545	9.7
144.77962	2.5
145.10100	18.5
145.30496	2.8
147.11668	35.2
149.13194	5.7
155.08531	3.0
159.11598	5.0
161.13234	14.4
171.11691	22.5
187.14828	2.8
189.12746	9.0
207.13748	20.8
261.22089	7.1
281.17477	29.5
317.94696	2.7
335.25751	33.7
467.35257	4.3
541.38861	39.3
559.23505	4.7
559.39594	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	559.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63517	3.8
55.05510	39.9
57.03421	3.9
57.07075	18.3
67.05495	47.2
69.01073	4.1
69.07063	85.3
79.05473	20.5
79.14156	3.7
81.07050	68.5
83.04981	5.8
83.08611	52.8
85.06532	8.5
91.05482	18.9
93.07041	31.9
95.04979	8.7
95.08596	60.7
97.06535	7.5
97.10162	54.1
105.07035	19.1
107.04945	3.9
107.08593	20.1
109.10143	27.3
111.08050	4.8
111.11684	28.4
113.09654	5.5
117.60002	3.8
119.08578	20.5
121.10143	27.3
123.11703	10.6
125.09638	6.6
125.13296	9.2
127.07482	3.9
133.10083	24.3
135.11691	42.0
137.13216	8.5
139.11166	10.2
141.49525	4.2
147.11641	21.1
149.13315	7.3
151.11168	7.8
151.14815	9.8
153.12709	10.1
161.13319	22.3
165.12743	9.5
175.14928	7.1
179.14279	11.9
192.59148	4.5
193.19443	6.4
217.19505	49.3
235.20555	84.1
253.21602	100.0
271.22665	46.3
326.74399	4.6
398.09103	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	560.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01848	0.8
57.03407	1.2
61.02928	1.3
62.97118	0.3
67.05497	1.3
69.03419	4.4
70.56888	0.4
71.01330	0.7
71.04977	0.5
72.08116	0.3
73.02913	1.5
81.03402	1.3
82.38660	0.3
84.08127	0.3
85.02413	0.4
85.02888	6.2
87.04434	1.2
91.03937	0.3
97.02872	2.4
99.04412	0.7
109.02819	0.9
109.05093	0.3
115.03859	0.3
127.03896	1.0
134.04590	5.2
135.05368	0.3
145.04955	0.5
148.08669	0.3
152.05661	1.4
158.07124	0.4
165.02287	5.1
167.02547	0.6
167.03796	0.4
175.09816	0.7
177.75552	0.2
181.05443	1.0
182.04926	100.0
183.05167	1.1
183.06688	0.5
185.08211	0.6
190.03024	0.9
194.04906	3.6
197.93607	0.3
200.09277	1.4
201.09995	0.5
204.04616	0.4
205.05396	3.6
205.07137	0.5
216.04628	2.7
219.07042	1.5
221.08521	0.7
224.05902	1.2
231.06941	11.7
233.07269	0.3
248.09607	26.2
249.10001	0.4
266.10657	49.0
267.10840	1.0
280.21155	0.3
314.09113	0.8
317.61996	0.3
344.10046	0.3
380.13919	0.6
398.14835	7.3
428.15936	34.2
429.16153	0.9
560.20123	23.5
561.19910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.05509	1.5
56.05028	8.2
60.21436	0.3
67.05499	5.4
69.03422	0.3
69.07053	1.9
70.06587	0.6
70.49023	0.4
70.94447	0.4
79.05473	5.4
79.05878	0.5
81.07042	5.7
83.06090	14.1
83.08607	3.2
84.04491	100.0
85.02894	2.3
85.04816	1.0
85.06541	0.7
91.05465	5.9
93.07021	6.9
95.04967	0.9
95.08587	4.8
97.06532	0.6
97.10135	1.0
99.08071	1.0
100.11204	0.5
101.07123	8.1
102.05524	27.0
105.07020	2.3
107.08575	6.2
109.10155	1.5
111.08066	1.4
117.06986	1.1
117.16401	0.5
119.08560	3.0
121.10125	11.2
123.08055	1.3
125.09602	0.6
129.06575	19.6
130.04979	44.0
131.05408	0.5
131.08569	2.2
133.10106	4.6
135.08061	1.3
135.11676	4.2
136.07535	0.5
136.97006	0.4
137.09596	5.3
139.07539	0.9
143.08612	0.5
145.06415	0.4
145.10103	1.5
147.07617	17.3
147.11629	2.4
148.06015	5.8
149.09636	2.1
151.11165	3.8
153.09102	2.0
157.10107	0.7
163.03859	1.1
163.11101	0.4
165.09056	0.8
167.10657	0.7
171.11684	1.0
173.13106	0.5
183.04411	0.4
185.13264	0.7
190.26244	0.4
203.14351	0.5
203.17931	1.9
213.16345	3.3
221.18982	1.3
230.18994	0.8
231.13840	0.5
231.17419	4.4
248.20053	2.5
249.18451	24.3
250.18787	0.8
266.21091	8.2
266.23746	0.6
267.19504	2.0
284.22171	3.5
332.22147	1.3
350.23224	6.7
359.23184	1.0
367.25839	0.6
368.24258	1.4
377.24283	12.0
378.22504	3.4
384.42889	0.4
395.25351	7.5
396.23691	10.1
413.26376	6.8
413.31378	0.7
478.29053	0.5
479.27600	1.5
496.30197	2.5
497.28705	1.9
506.28445	1.0
507.26962	1.6
524.29657	6.3
525.27985	4.6
542.23004	0.5
542.30768	7.5
543.31744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17510	15.2
57.03409	21.7
58.64148	15.3
64.42152	16.7
66.29063	15.9
66.49416	16.6
67.05501	54.0
70.83110	24.8
79.05471	52.3
81.03421	17.3
81.07034	83.2
86.09692	18.2
91.05489	31.9
93.07027	50.0
95.08611	77.7
103.55973	20.6
104.10714	44.8
105.06995	23.0
107.08567	40.5
109.10158	51.7
121.10158	29.6
131.08554	22.1
131.16280	16.6
135.11656	43.9
149.13232	35.1
172.95207	42.0
173.13188	20.4
223.97221	52.5
243.20979	49.9
261.22064	100.0
299.06729	21.0
335.25723	30.2
353.26749	48.1
447.86502	20.2
468.11307	18.3
473.19321	52.7
501.22311	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	560.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	21.0
60.32657	17.7
67.05487	83.7
69.03420	26.1
69.07039	35.1
69.64674	15.0
70.69681	26.0
79.05470	41.5
81.03413	16.3
81.07049	100.0
91.05466	21.3
93.07012	60.4
95.08592	61.1
105.07001	29.3
107.08562	63.0
109.10155	48.8
111.04387	26.7
112.32690	14.9
117.07032	16.7
119.08626	19.0
121.10122	40.1
123.11647	21.1
131.08583	22.2
135.11659	32.8
145.10107	34.4
147.11694	21.2
149.13254	28.1
157.96562	15.9
173.13229	27.8
185.97952	16.9
243.21144	20.6
261.22119	55.4
335.25894	20.7
353.26852	21.1
390.54999	17.9
561.25604	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	21.7
56.05794	6.6
57.03427	8.6
65.03913	7.2
66.72981	5.5
67.05497	100.0
67.32375	5.8
69.07053	21.4
69.15915	14.9
69.16327	30.1
69.96038	6.6
79.05493	62.7
81.07050	92.9
83.08580	11.6
91.05470	36.3
93.07037	75.5
95.04958	13.1
95.08598	84.8
97.10155	9.8
105.07009	27.9
107.08584	34.4
109.10133	53.4
119.08566	20.6
121.10159	40.2
123.11697	22.2
131.08559	18.4
133.10097	19.8
135.11636	39.6
143.08580	7.0
145.10121	18.0
145.57216	6.4
147.11647	10.5
149.13232	22.9
159.11684	17.1
161.13252	7.2
163.14783	10.6
169.57068	5.7
173.13257	8.7
175.14815	6.4
189.16365	8.7
201.16409	10.0
271.24103	17.6
289.25204	94.7
358.92923	6.8
363.28833	18.7
381.29953	29.9
560.36310	14.4
560.44781	15.0
565.52875	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	561.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81932	2.5
56.96539	3.4
61.02904	2.7
62.69572	2.5
67.05476	2.8
69.24107	14.9
70.06564	4.3
75.03516	2.4
78.51199	2.7
79.05312	2.4
85.02866	6.5
94.00455	2.7
98.97556	18.1
110.97525	7.8
116.98561	7.6
128.98552	12.1
146.99557	2.6
170.99617	7.2
182.03464	4.3
182.04926	50.5
183.05302	15.0
184.04549	4.3
189.00630	7.0
214.24664	2.8
231.01656	5.6
231.06860	4.8
232.07362	5.6
248.09590	7.2
249.02768	20.0
249.09953	12.4
266.10742	15.5
267.03522	2.7
267.10989	19.2
291.03793	18.6
313.12106	3.0
372.08643	3.9
381.12033	15.3
417.11984	5.6
428.15744	2.8
429.16360	23.6
561.17053	100.0
562.17505	7.3
567.23535	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	561.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72363	1.3
55.44228	1.2
60.28351	1.3
67.19167	1.3
84.04500	4.8
86.09702	1.9
90.93669	1.3
97.92735	1.5
100.14023	1.3
130.05000	1.6
135.04372	1.5
187.11845	1.6
228.50255	1.6
326.51398	1.4
359.08301	1.5
372.08807	2.1
387.11060	2.6
390.09674	3.0
531.15405	4.6
561.17133	100.0
561.32019	9.2
562.17224	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	561.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89473	1.7
64.95769	1.7
69.03368	1.5
69.13090	11.4
78.73603	1.5
84.61124	1.6
89.03893	2.3
131.04887	3.2
135.04344	3.7
137.05913	2.5
145.02844	3.3
150.10579	1.7
163.03882	22.3
184.15541	1.6
238.12201	1.8
257.04391	2.2
291.09012	1.6
301.69962	1.8
372.08643	4.5
384.08658	2.2
387.11005	4.9
390.09689	4.3
396.50253	1.9
399.13843	12.0
399.25790	2.3
405.12469	2.3
417.11905	3.7
423.51617	1.9
560.31085	2.6
561.17438	100.0
561.31079	14.9
562.18048	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	561.194
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
69.55529	1.1
72.08143	0.3
84.01858	0.6
84.10797	0.3
86.09674	0.5
87.38620	0.3
91.06554	0.3
95.01074	0.3
96.01865	0.4
112.01323	0.3
113.02121	0.5
138.02884	0.9
144.18477	0.3
159.04173	9.8
159.05513	0.5
167.03313	0.3
171.02557	0.5
185.04124	1.5
187.03607	0.5
192.03093	0.4
193.26974	0.3
201.03606	1.5
201.05289	1.2
213.07436	0.8
218.05508	0.3
221.86571	0.3
233.07893	1.1
271.06091	0.5
337.12488	4.8
351.10519	3.7
365.12012	4.6
366.12808	9.7
367.13483	1.1
399.14319	0.4
531.18317	9.0
543.18579	0.5
561.19348	100.0
562.19775	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	561.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06672	0.5
61.78127	0.5
62.57871	0.4
70.06614	1.1
71.42040	0.5
71.83592	0.5
86.09703	0.8
132.38370	0.5
159.04120	3.2
159.98962	0.6
163.03911	0.6
166.23260	0.5
168.31874	0.6
173.02156	1.2
185.04123	0.7
187.03683	0.9
189.05286	2.3
201.05170	3.4
202.58377	0.6
204.07565	26.5
205.08252	1.4
217.04727	3.3
218.05571	1.6
249.14990	0.6
271.73010	0.6
363.10513	1.4
369.13110	6.3
381.13049	1.2
399.14117	100.0
400.14426	4.2
499.76031	0.7
531.18243	1.5
561.19177	59.4
562.19598	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	561.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35370	0.4
70.50899	0.6
89.82832	0.4
96.73127	0.4
98.23396	0.6
108.51569	0.5
114.70417	0.4
115.12607	0.5
123.97969	0.4
133.80319	0.4
205.04884	2.2
323.12534	1.6
351.12006	12.0
393.06931	0.5
438.11325	0.5
538.98364	0.5
543.19928	1.7
561.20874	100.0
562.21228	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	561.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51424	1.1
55.05508	2.2
56.05029	7.9
61.02912	1.2
67.05499	5.2
69.03409	2.1
69.07035	2.1
71.44566	1.5
79.05485	6.6
81.07041	5.6
83.08606	3.1
84.04492	100.0
85.02882	3.3
85.04813	1.2
91.05453	4.9
93.07030	8.9
95.04939	1.8
95.08574	5.3
97.06509	1.6
102.05526	45.9
105.07010	5.0
107.08586	5.5
109.10130	3.8
111.08069	1.3
117.07027	1.3
119.08562	4.3
121.10137	8.9
123.08073	1.6
125.09595	1.3
130.04990	36.3
131.08517	1.6
133.10100	4.9
135.08067	2.1
135.11652	4.3
137.05936	1.9
137.09584	4.9
145.10060	2.7
147.11693	2.2
148.06029	18.3
151.11154	3.3
153.09067	1.3
203.05164	1.2
213.16319	2.7
230.19006	1.4
231.17439	3.0
248.20007	4.3
249.18449	24.8
267.19583	4.2
280.27765	1.4
295.44797	1.0
347.09500	9.3
350.23145	11.3
368.24286	2.5
378.22577	3.7
396.23776	20.8
414.25070	1.5
479.27740	1.9
497.28165	4.6
525.27966	5.8
543.29187	7.1
561.23193	12.6
561.32788	17.1
562.21844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
67.05485	1.3
67.30564	0.6
69.45157	3.0
69.60743	0.6
70.77594	0.5
79.05485	1.5
79.80058	0.6
81.07049	1.6
91.05479	1.2
93.07038	1.1
95.05000	0.6
95.08600	0.8
103.38420	0.7
107.08570	0.9
133.10178	1.2
254.64468	0.6
291.18091	0.7
421.46802	0.7
561.30267	100.0
562.30743	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	562.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.0
57.03440	1.8
57.44773	2.0
65.03924	1.8
67.05499	12.6
69.03414	15.8
69.07054	7.0
69.78696	6.5
70.06583	4.5
72.08131	2.3
75.42701	1.9
79.05497	16.8
81.07047	46.2
83.04956	2.1
85.02894	5.7
86.09682	3.8
87.04468	6.6
91.05483	16.8
93.07036	44.9
95.04945	7.9
95.08598	23.6
97.02888	14.4
97.06514	3.7
98.23460	4.1
101.78686	2.4
103.05450	3.1
105.07012	33.5
105.63532	1.8
107.08579	36.2
109.06494	8.3
109.10123	6.0
111.04417	19.5
111.08084	4.7
113.06013	2.3
115.03925	8.0
117.06999	5.5
119.08566	33.0
120.08074	6.5
121.06531	3.2
121.10130	68.9
123.04431	11.3
123.08044	9.5
123.11694	26.7
125.05995	3.1
127.03928	3.1
131.08559	18.0
132.08101	4.4
133.04968	7.5
133.10126	8.3
135.08029	6.8
135.11678	44.6
137.05954	20.0
139.07545	3.4
141.09070	2.4
143.08566	5.0
145.06320	2.5
145.10121	28.7
147.08026	5.6
147.11678	7.2
155.08508	3.2
157.10115	13.7
158.07224	2.7
159.08017	18.7
159.09186	19.8
159.11670	24.0
160.08884	2.3
161.09581	2.6
161.79123	1.9
163.07492	2.5
163.11185	2.9
169.10097	3.0
171.11656	3.5
173.09598	24.3
175.11189	2.5
177.09131	5.0
179.10661	2.5
182.10893	4.1
184.31700	2.0
186.10338	2.4
187.11143	6.3
187.14780	24.1
189.16277	2.0
197.13216	13.6
213.12665	3.5
215.14284	98.0
216.14706	2.4
229.15869	2.1
233.15326	100.0
261.15918	2.4
275.16504	3.2
285.12326	3.8
329.17450	3.0
341.17648	2.3
562.22272	2.2
562.31537	7.5
562.43829	4.4
563.31824	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	562.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48169	5.4
55.05499	23.7
57.03413	11.6
63.05752	6.1
67.05499	33.6
69.03403	9.4
69.07057	27.6
74.05998	6.2
79.05472	26.1
81.03404	32.6
81.07042	25.9
83.08591	15.5
83.40358	5.8
91.05472	20.8
93.07021	16.7
95.04908	10.6
95.08588	16.0
97.02888	10.7
97.10149	13.8
105.07006	12.5
107.08563	13.3
110.81244	6.8
119.08526	15.8
125.09674	11.1
126.20600	6.4
129.06970	8.5
147.07985	8.8
147.11681	7.5
164.93535	6.7
189.11098	6.5
191.75575	7.4
193.12292	12.6
194.34653	7.3
195.13803	6.1
211.13284	10.7
214.14803	6.5
223.13184	20.5
267.15884	23.8
273.18503	9.1
280.58865	6.5
285.16959	16.0
291.19516	100.0
316.12244	7.0
365.23181	94.9
452.97086	6.7
459.27676	9.4
477.28479	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	562.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.0
55.05509	15.5
57.03429	12.7
57.07042	4.6
65.06358	4.9
67.05488	43.0
68.68003	4.4
69.03397	6.2
69.07063	11.3
69.79288	17.3
69.80552	5.1
71.04962	6.0
73.19003	4.5
75.50161	4.9
79.05481	29.9
81.03404	14.2
81.07040	45.3
83.04989	13.7
83.08634	7.3
85.02882	5.9
85.06533	6.7
91.05466	37.5
93.07031	19.3
95.04959	13.2
95.08609	13.9
105.07004	30.4
107.04916	7.2
107.08565	26.2
109.06467	8.9
109.10124	37.2
117.07036	5.4
119.08564	12.2
125.40527	4.8
131.08540	11.1
133.10086	53.2
135.07973	8.6
135.97543	4.7
151.11188	21.9
152.57309	5.4
175.11197	6.5
185.37766	4.7
193.12131	7.4
253.14290	84.4
263.19916	5.9
267.15945	16.5
271.15320	21.2
273.18420	18.9
277.86398	4.9
291.19534	15.7
365.23148	100.0
400.32358	5.2
477.28329	11.0
562.24902	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	562.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55799	8.3
55.05497	10.2
67.05500	11.7
76.31731	8.3
81.07040	20.3
93.07034	7.3
95.08568	10.6
98.23462	25.3
100.48312	7.6
107.08575	8.8
132.24702	8.9
152.65292	7.8
219.12425	8.3
243.96399	6.9
245.22543	7.9
259.09723	13.6
263.23679	14.7
299.06970	9.9
337.27075	15.0
346.07697	8.0
385.61295	8.7
392.08139	8.0
406.84338	8.0
428.28915	8.2
475.77246	7.7
563.31787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
68.59986	0.6
68.81802	0.5
69.03384	0.6
73.43704	0.4
73.89605	0.6
93.07014	0.5
95.04978	0.6
107.04963	0.6
138.11874	0.5
151.07565	0.6
177.05408	0.6
266.90735	0.5
286.04675	0.8
301.07074	1.4
345.89450	0.6
415.06564	0.5
542.57642	0.5
563.18817	100.0
563.37207	3.4
564.19189	5.3
588.16168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01969	1.4
68.99765	1.9
69.65997	6.9
71.73161	1.8
76.62820	1.7
77.05419	1.4
78.19098	1.6
95.57078	1.5
98.22796	3.4
98.97546	2.5
103.58946	1.8
111.00752	2.7
123.04410	5.8
128.98502	1.8
139.03859	2.8
142.78961	1.8
147.04391	5.7
149.38194	1.7
161.05969	3.0
163.07507	2.0
170.99486	1.6
179.00133	2.9
189.05490	6.9
197.01151	3.5
249.02782	3.8
273.07581	11.2
285.07437	2.1
291.03943	2.2
401.15750	11.5
404.11560	4.0
419.13925	11.3
437.14868	1.9
503.17923	6.1
531.18201	1.7
563.18988	100.0
564.19269	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	563.2095
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
55.19824	0.4
57.38671	0.4
79.55432	0.5
110.85248	0.4
111.41302	0.4
130.41948	0.5
159.04196	2.5
201.03766	0.6
253.97894	0.4
309.10361	0.4
337.12491	1.2
351.10355	0.9
365.12140	1.3
366.12750	2.5
563.20935	100.0
564.21362	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	563.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42456	0.3
55.98126	0.3
69.03456	0.4
70.62389	0.4
75.98513	0.3
85.02893	0.5
93.39608	0.3
105.84547	0.3
123.04420	0.4
127.03915	0.4
133.60843	0.3
137.05878	0.4
175.03632	1.9
179.07077	0.5
185.04208	0.4
189.05296	0.5
204.07518	3.1
217.08353	0.3
219.06281	1.1
303.26031	0.4
351.10455	3.6
365.12076	3.6
401.10730	0.6
401.15677	10.0
402.15820	0.4
563.20868	100.0
564.21045	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	563.2093
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
55.95206	0.2
56.06034	0.2
59.04989	0.4
69.98898	0.2
70.06569	0.2
85.02916	0.3
90.75732	0.2
91.05486	0.4
92.01746	0.2
93.07046	0.3
95.04964	0.3
96.70480	0.2
97.02849	0.2
99.04415	0.2
109.02838	0.2
121.06474	0.3
124.07620	0.2
129.05469	0.3
131.04942	0.2
133.02881	0.2
136.07549	1.4
137.05997	0.6
139.03862	0.2
151.03920	0.4
152.07050	0.3
161.05942	0.2
163.03874	0.2
164.07059	1.2
167.06969	0.2
177.05400	0.2
195.06627	0.2
201.03699	0.4
201.05551	0.2
203.07060	0.2
203.09074	0.5
205.04936	0.5
223.05908	0.2
229.06848	0.2
245.06332	1.2
271.06100	0.3
281.07895	0.2
281.68845	0.2
282.08649	0.3
283.09418	0.5
287.10950	0.2
287.14005	0.3
303.10568	0.8
311.08786	0.4
325.10699	0.3
353.13843	0.4
355.17218	0.4
356.76105	0.2
365.13602	0.4
369.31992	0.2
383.14758	2.3
401.15729	10.3
402.16180	0.4
509.50497	0.2
510.84937	0.2
545.20178	0.3
563.20917	100.0
564.21552	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	563.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18075	0.6
53.03955	0.7
55.05503	1.6
56.05033	6.3
67.05499	10.1
69.07067	2.0
69.38612	1.6
69.39014	1.7
79.05487	11.9
81.07045	9.4
83.06098	30.6
83.08605	3.8
84.04495	100.0
85.02877	2.1
85.06531	1.0
85.16152	0.6
91.05472	10.8
93.07030	13.7
95.04960	2.2
95.08588	6.7
97.06528	1.7
97.10145	1.4
99.08086	1.3
101.07132	12.8
102.05528	9.5
105.07042	3.5
107.08575	10.0
109.02908	0.6
109.06508	1.1
109.10172	3.3
111.08095	2.7
117.07031	1.6
119.08566	5.0
121.10138	16.5
123.08060	1.8
123.11718	0.9
125.09647	1.3
129.05829	0.5
129.06586	40.3
130.04988	66.8
131.05371	0.9
131.08556	4.2
133.10107	7.3
135.08058	2.0
135.11688	5.4
136.07544	6.5
136.08357	0.7
137.09587	7.0
139.07555	1.2
139.11180	1.2
143.08162	0.6
145.10089	1.8
147.07625	27.1
147.11629	4.9
149.09607	3.9
149.13261	0.7
151.11201	4.2
152.07068	1.4
153.09074	2.1
158.62871	0.6
159.11656	0.6
164.07062	6.1
167.10695	1.4
171.11702	1.6
177.32320	0.6
203.18002	1.8
205.04759	1.2
213.16368	4.7
221.19005	1.0
231.17400	7.3
232.07005	0.6
248.20093	1.3
249.18486	35.5
250.18793	1.0
266.21112	19.9
267.19571	2.5
284.22159	9.6
287.13937	1.4
309.40842	0.7
332.22284	1.6
350.23206	3.5
359.23331	1.4
367.25699	0.9
377.24283	30.7
378.22839	2.4
381.18985	1.7
395.25369	12.3
416.22916	0.7
510.23776	0.9
527.25830	2.8
528.24359	0.9
545.26605	4.0
563.20795	1.8
563.34009	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	563.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97826	4.6
55.05500	10.1
57.03427	5.4
57.07059	5.1
61.02917	12.3
67.05487	18.6
69.03432	28.7
69.07047	15.3
70.06570	5.9
71.04979	16.9
71.17975	4.7
72.11018	4.8
73.02931	5.0
79.05473	18.3
81.03412	8.2
81.06574	6.1
81.07045	78.9
84.04499	5.9
85.02892	100.0
86.09696	5.8
91.03951	7.4
91.05479	15.5
93.07043	35.5
95.08604	37.4
97.02905	26.3
97.06484	4.8
105.07003	40.8
107.08590	53.1
109.02838	9.8
109.10143	46.6
111.11756	6.0
116.22771	4.6
119.08576	49.6
121.10119	14.6
123.11681	21.8
124.67374	4.9
125.09607	6.9
127.03872	23.8
127.11128	11.1
131.08586	5.3
133.10132	32.3
133.11003	5.4
135.11685	72.3
137.05962	8.3
143.10661	20.9
145.04947	32.6
145.06021	5.6
147.11650	29.3
149.13237	12.1
153.12756	5.5
159.11728	6.5
161.13245	15.1
163.05997	10.1
172.49155	4.7
175.14812	7.4
179.70705	5.1
203.17917	55.4
205.19412	4.9
206.01550	4.7
221.19026	35.3
287.14294	5.9
407.31778	5.2
542.83380	6.0
563.19495	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46426	0.6
63.83900	0.6
107.03269	0.6
111.87212	0.6
117.89443	0.6
152.78365	0.7
369.22482	0.7
494.97131	0.7
563.31836	100.0
564.32111	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01853	6.2
55.05501	37.0
57.03422	13.0
65.03918	5.0
67.05497	72.4
68.28856	3.7
69.03423	5.9
69.07056	31.5
69.95437	5.7
69.95749	7.6
71.04971	6.0
74.81438	3.6
79.05479	61.5
81.03412	12.9
81.07040	100.0
83.04975	8.3
83.08599	24.2
85.02892	3.2
85.06531	6.4
91.05466	47.9
93.07032	64.8
95.04963	11.0
95.08585	63.1
97.06507	13.4
97.10137	14.8
98.22781	3.9
99.08104	3.5
105.07008	51.6
107.08580	46.4
107.90405	3.5
109.06503	4.6
109.10131	31.4
111.08114	6.4
117.07012	22.5
119.08558	43.7
121.06486	5.1
121.10107	38.1
123.08053	4.4
123.11693	10.8
125.09631	11.3
128.42482	3.8
129.06982	11.2
131.08548	33.7
133.10095	34.5
135.11673	19.9
139.11163	5.6
142.07759	5.1
143.08572	13.7
145.10104	24.9
145.80275	4.0
147.11658	19.9
149.09604	11.7
149.13234	10.7
155.08510	4.2
157.10141	13.2
159.11673	13.4
161.13246	12.3
163.11147	4.7
163.14771	5.2
169.10086	8.1
171.11682	15.9
173.13303	18.4
175.14819	12.5
176.28769	4.7
180.09138	3.4
183.11656	7.0
185.13257	13.9
187.14691	5.3
189.11140	11.5
193.12294	6.8
195.11658	4.9
197.13245	9.0
199.14854	4.2
201.59854	3.6
203.12788	6.0
207.11578	4.4
211.14832	6.3
227.12799	9.5
233.15288	4.2
241.19580	6.1
259.15210	5.9
267.15881	13.4
269.09976	4.8
269.17435	4.1
271.20389	3.8
285.16806	3.9
287.23630	10.6
289.21619	11.7
294.08530	3.7
301.25195	7.8
333.24097	3.8
335.25638	8.6
417.31793	5.0
435.32678	10.9
453.33539	15.4
469.20816	3.6
471.34561	15.8
527.37482	32.5
545.38263	55.4
563.31030	5.9
563.39429	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	564.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38363	0.7
69.94083	0.9
69.94415	0.9
80.59081	0.5
81.03457	0.6
85.02893	1.0
123.73166	0.5
130.06519	0.9
137.05965	2.4
163.07489	0.5
177.05531	1.2
179.07068	1.5
207.09929	0.6
315.28726	0.7
401.11877	0.7
402.11588	11.4
454.34360	0.6
564.16705	100.0
565.17773	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	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.1
57.03424	20.9
67.05491	79.5
69.07054	22.0
70.10220	41.3
79.05482	51.2
81.03445	16.2
81.07056	100.0
83.08632	31.5
91.05473	63.4
93.07024	88.7
95.04929	21.0
95.08595	48.9
97.06507	22.7
99.04446	15.6
100.30322	15.0
105.07031	49.6
107.08583	42.0
109.10136	30.7
117.07018	23.1
119.08567	34.3
121.10116	30.5
131.08554	24.4
133.10127	40.0
135.11725	27.3
140.19885	17.5
145.10112	53.1
147.11665	27.2
153.36201	14.0
159.11720	21.3
163.11223	18.2
170.57614	17.9
173.13246	19.9
177.12723	21.8
255.15930	50.8
269.17444	94.2
275.20026	53.4
301.33365	15.2
349.23676	59.6
565.26056	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	564.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31863	2.8
71.04996	1.0
73.06544	2.0
87.04459	10.2
89.06023	100.0
90.06319	0.8
91.07556	0.7
97.02869	1.4
107.07065	2.1
127.03925	1.8
131.07022	3.9
133.08594	59.3
139.03909	4.5
140.04213	0.7
152.07065	0.9
163.03885	0.9
175.09700	2.2
177.05508	0.8
177.11211	23.7
177.12766	1.3
184.40930	0.6
201.05502	0.9
221.13725	4.0
223.15422	0.9
265.16452	1.2
283.17535	1.2
313.14758	0.8
355.20984	0.6
391.02454	0.8
500.63986	0.6
503.30368	1.5
547.33130	4.4
564.36102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1543
Annotation	Apiin
Peak:m/z	Relative Intensity
52.51048	0.1
52.91822	0.1
57.03416	0.3
67.01852	0.3
68.99779	0.2
69.03423	1.0
70.06567	0.3
84.08120	0.2
84.75318	0.1
85.02885	0.8
87.04472	0.5
88.96588	0.1
91.05472	0.3
97.02872	0.6
107.04974	0.1
108.68978	0.1
115.03916	0.6
116.07059	0.2
119.04916	1.2
121.02824	0.3
123.04333	0.1
129.01762	0.2
133.04962	0.5
136.07545	0.2
137.05919	0.2
137.07835	0.1
145.02876	0.6
145.06471	0.1
151.03879	0.2
153.01796	3.4
163.03854	0.4
164.06999	0.3
167.07030	0.5
169.09596	0.1
171.02916	0.5
181.04950	0.2
187.03899	0.1
203.07085	0.2
225.05363	0.2
229.04944	0.3
243.06487	0.2
253.05113	0.2
271.05945	100.0
272.06290	2.9
313.07013	0.2
403.09650	0.1
403.16299	0.2
433.11215	9.1
434.11728	0.3
491.18893	0.2
565.22009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1547
Annotation	Apiin
Peak:m/z	Relative Intensity
51.57019	0.4
57.03428	2.2
58.03375	0.3
58.69431	0.3
58.71828	0.3
63.36152	0.3
67.01447	0.3
68.99792	0.4
69.03435	0.5
69.45715	1.2
69.52086	0.3
71.04981	12.1
85.02888	12.0
85.51161	0.3
97.02876	0.3
102.70450	0.4
105.07035	0.4
121.02827	1.4
129.05438	3.2
137.02391	0.5
137.06000	0.5
145.08560	0.9
146.08922	0.4
147.06386	0.6
153.01808	2.7
165.01851	1.3
183.02875	0.7
213.05421	0.9
231.06558	0.6
241.04945	1.0
258.05151	0.9
259.05798	0.4
271.76154	0.4
287.05444	100.0
288.05817	2.1
329.06451	0.7
385.52405	0.4
397.09204	0.4
419.09650	13.4
420.09979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20800	2.7
91.05473	0.6
91.90530	0.5
98.23471	0.9
116.12420	0.4
123.04450	0.6
125.02127	0.7
131.04930	0.8
137.05984	1.3
152.03143	0.8
161.06010	0.5
167.06993	1.8
169.04639	0.6
173.06190	0.4
173.42188	0.5
181.05009	0.6
205.04886	0.6
216.66669	0.6
217.04733	0.7
227.08798	3.3
265.08450	0.8
269.09833	0.6
291.09988	0.8
299.07391	3.6
311.11356	0.6
330.05508	0.5
331.04761	1.5
337.10684	3.2
339.12067	0.6
367.11649	0.7
369.13275	1.5
371.13068	5.2
421.10776	0.7
495.18152	2.6
505.16675	2.0
537.07477	0.6
564.35571	0.6
565.07678	4.8
565.18756	100.0
566.07245	0.8
566.19049	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	565.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.0
53.03935	2.4
55.01855	2.5
55.05474	0.7
59.20588	0.9
63.06891	0.7
65.03917	8.1
67.05495	1.4
69.03433	1.3
70.15369	2.0
77.03922	3.3
78.04703	4.9
78.25507	0.8
79.05474	6.1
81.03399	3.7
85.02896	2.0
89.03913	2.3
91.05463	25.5
93.03407	1.3
93.07043	4.5
94.04128	1.5
95.04952	14.1
98.23233	1.6
102.04668	1.4
103.05451	18.5
105.03383	3.4
105.04474	4.4
105.07012	7.0
106.04176	2.2
107.04942	11.9
108.02051	0.8
108.05779	1.1
110.03658	2.6
111.04424	3.4
115.05453	8.4
116.06242	1.2
117.03368	1.9
117.06999	5.5
118.04163	1.8
119.04937	4.9
119.08560	1.7
120.05666	1.1
121.02891	0.8
121.06490	9.1
122.03626	3.7
123.04415	11.9
124.05208	4.3
125.05981	4.5
128.06210	1.2
129.07040	1.1
130.04094	1.6
131.04910	9.0
132.05699	2.4
133.02824	31.3
133.06454	7.2
134.03587	1.1
135.04376	2.7
135.08105	1.1
137.05952	18.8
139.07512	1.4
139.96552	0.7
143.04922	2.8
144.05675	2.2
145.06464	7.7
146.03633	1.4
146.07176	1.1
147.04355	4.1
147.08034	3.2
148.05171	3.8
149.05969	8.7
151.03871	6.5
151.07529	13.0
152.04678	3.3
152.05971	1.0
153.05461	4.6
155.06012	2.5
155.07104	1.3
159.04359	1.2
159.08014	1.4
160.05147	2.3
161.05949	10.9
162.06682	1.0
163.03873	1.7
163.07500	5.4
165.05461	9.6
165.06824	1.7
167.07010	100.0
168.04176	1.1
168.07388	2.3
171.04424	1.5
171.06500	0.8
173.05940	7.7
174.06773	0.9
175.07512	6.2
176.08246	0.8
177.05461	1.7
177.09085	3.1
179.03281	0.9
179.08615	0.8
181.04939	20.4
181.06390	1.4
187.07558	2.2
188.08321	1.1
189.05345	1.1
189.09073	2.8
191.06998	27.3
193.08580	2.9
195.07983	2.2
196.05156	0.8
197.05923	1.8
198.06749	1.6
199.07549	1.1
201.05496	1.4
201.08949	0.8
201.42282	0.8
203.06992	5.3
205.04924	1.6
205.08589	3.4
207.06471	1.6
209.05989	1.1
209.07962	1.7
210.06638	1.8
211.07526	2.4
212.08223	1.5
213.05360	1.0
213.09021	2.1
215.06744	1.1
217.08540	2.5
219.06345	1.1
219.08221	1.5
219.10115	1.1
221.05861	1.1
221.07915	1.4
223.07581	3.9
224.08235	1.4
225.09097	1.8
226.06227	2.5
227.06952	1.5
229.08708	1.3
231.06419	1.0
233.08044	3.3
235.07524	1.5
235.09604	6.2
237.09106	1.3
239.06888	1.0
240.07729	2.3
241.08560	5.3
251.07143	1.0
253.08658	1.1
255.10139	5.8
256.10989	1.1
257.08099	0.9
261.09113	1.1
262.09857	1.2
262.71689	1.0
265.08459	1.7
267.10269	1.3
271.05939	0.9
276.07724	1.1
277.08368	1.6
278.09369	1.4
279.06592	0.8
279.10052	1.9
283.09540	2.2
287.12747	4.5
289.08600	1.2
291.10129	1.1
293.08008	1.1
293.11517	1.4
295.09552	1.3
297.11264	1.6
301.10712	2.4
307.09543	1.4
309.11142	1.3
311.09088	0.8
313.10629	1.4
315.12036	2.9
321.11142	1.8
325.10599	1.7
329.10150	14.3
336.10272	1.0
337.10635	1.8
339.12311	1.3
341.13870	1.6
343.11749	1.6
351.12247	0.9
353.09970	1.4
353.13901	2.3
355.11624	2.3
357.13083	1.0
369.13477	1.3
381.13446	4.1
382.13644	1.0
383.14618	2.6
385.12817	5.7
415.14310	0.9
472.63336	0.9
505.17999	1.8
533.17670	1.6
535.19580	5.7
537.21179	1.1
547.19434	0.9
565.07001	1.8
565.20190	20.8
565.30780	1.4
565.32587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60402	0.6
51.02369	1.6
53.03932	1.6
55.01855	2.7
63.02375	0.7
65.03939	5.0
65.64873	0.6
67.05495	1.6
69.03439	0.8
69.11010	4.0
73.91215	0.6
77.03915	2.0
78.04681	3.0
79.05484	6.5
81.03423	3.8
85.02897	1.6
89.03914	1.7
91.05473	22.5
93.03379	0.8
93.07060	4.8
94.04179	1.5
95.04958	12.5
102.04665	1.3
103.05453	16.1
105.03374	2.8
105.04475	3.8
105.07009	6.3
106.04154	2.9
107.04946	9.7
108.05767	0.6
109.06515	1.2
110.03630	1.7
111.04424	1.8
115.05445	8.1
117.03365	1.1
117.07007	5.3
118.04131	1.8
119.04943	4.6
119.08533	0.9
121.06487	7.2
122.03631	2.6
123.04418	8.8
124.05198	3.7
125.05975	3.3
128.06201	1.3
128.78380	0.8
129.06955	1.2
130.04100	0.9
131.04933	8.5
132.05681	1.7
133.02832	27.9
133.06479	5.7
134.03603	1.4
134.07152	0.8
135.04393	4.3
137.05966	14.0
138.03163	0.9
138.06766	0.7
141.06964	1.0
143.04915	1.7
144.05692	1.4
145.02847	0.8
145.06473	7.0
146.07202	0.8
147.04387	2.7
147.08034	1.9
148.05177	3.3
149.05957	9.1
151.03893	6.6
151.07535	11.5
152.04639	2.9
152.06023	0.8
153.05469	6.7
154.06183	0.9
155.05991	1.9
156.05515	0.8
157.06456	1.1
159.04428	1.1
159.08058	1.6
160.05205	1.3
161.05957	8.5
163.03908	1.4
163.07518	5.0
164.04655	0.9
165.05466	9.5
165.06822	1.3
166.02800	0.7
167.07019	100.0
169.06497	1.4
170.60513	0.7
171.06541	1.2
172.05206	0.8
173.05936	5.5
174.06729	1.8
175.07523	4.4
176.04605	1.0
177.05470	2.1
177.09036	2.4
179.06984	1.6
179.08498	0.7
181.04947	20.9
181.06474	2.2
183.08090	1.2
187.03960	0.7
187.07561	1.6
188.04605	0.9
188.08321	1.5
189.05450	1.1
189.09076	2.6
190.06218	1.7
191.05273	1.3
191.07008	24.6
192.07816	0.7
193.04811	0.8
193.08598	2.5
195.06522	0.8
195.08052	3.3
197.05945	1.7
198.06696	1.4
199.07491	1.2
201.05501	1.1
203.06976	5.4
205.08502	3.4
207.06400	0.9
207.08194	1.0
207.10139	0.8
209.05957	1.1
209.08026	1.1
210.06792	1.5
211.07457	1.8
212.08328	1.2
213.09044	1.4
217.08658	2.1
219.06427	1.5
221.06067	0.9
222.06789	0.8
223.07523	4.6
224.08298	1.3
225.09142	1.4
226.06273	1.4
227.07027	2.3
227.10617	0.8
231.06522	1.4
233.06030	1.0
233.07892	4.0
234.06563	1.0
234.08751	0.7
235.07463	1.7
235.09633	5.1
236.08456	0.8
237.09106	1.8
239.06905	1.0
240.07813	2.7
241.08620	4.6
242.09413	0.8
243.06638	1.0
245.07866	1.0
247.07449	1.6
249.09087	0.8
251.06903	1.2
251.10713	0.9
252.07890	1.4
253.08452	1.1
255.06406	0.7
255.10184	6.4
256.10934	1.9
257.11575	0.9
261.09207	0.9
263.06854	1.3
265.08417	0.8
267.06659	1.0
267.10141	0.7
269.07941	1.0
271.09756	0.8
273.11115	1.0
277.08496	1.2
278.09402	1.1
279.10059	1.0
280.11288	0.7
281.08011	1.0
283.09555	1.5
287.12680	6.0
291.10049	1.4
293.08081	0.8
293.11615	1.5
294.08566	0.8
295.09509	1.9
296.10355	0.7
301.10712	2.1
306.08820	1.0
307.06076	0.9
307.09497	1.3
309.11118	1.1
313.10635	1.2
315.12329	4.9
318.08710	0.7
321.11600	0.9
322.11847	1.1
323.09052	1.3
325.10681	1.3
329.10126	17.2
337.10657	2.6
339.12152	1.6
343.11639	1.3
351.08386	1.0
351.12439	1.0
353.13873	2.3
355.11771	2.2
356.12555	0.7
357.13248	2.0
367.11826	1.2
369.13251	1.3
375.61792	0.8
381.13184	5.3
382.14001	1.1
383.14951	2.0
385.12766	6.6
397.12817	0.7
411.14618	0.8
415.13715	0.8
438.12173	0.7
505.18597	2.2
533.18146	1.5
535.19489	4.5
547.18726	1.0
565.20471	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	565.244
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01762	1.0
67.05486	1.8
68.57957	1.0
71.45380	0.9
81.07074	1.1
91.05472	1.3
93.07055	2.8
95.08615	1.9
107.08581	1.4
109.10104	1.2
116.41881	0.9
119.08595	1.3
121.36904	1.1
133.10161	1.3
135.39693	1.1
210.45459	1.1
282.28009	1.3
377.17569	1.5
378.18500	1.8
379.18997	1.6
391.19382	2.1
392.20142	1.9
393.20483	6.4
403.19025	1.8
407.22501	2.8
412.18384	1.1
417.16736	1.6
419.22363	2.3
421.20337	4.1
431.18735	2.2
435.21823	1.8
436.22546	2.1
445.20157	3.0
446.20944	4.2
447.21811	4.7
449.19418	2.0
474.20621	3.6
475.21405	3.6
481.25662	2.3
491.24316	1.5
509.25583	1.2
519.24243	6.0
537.24988	4.2
547.23334	9.6
565.24384	100.0
566.24365	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	565.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59491	0.4
60.22504	0.5
60.92645	0.5
63.35240	0.5
67.05501	1.0
67.82986	0.5
81.07053	1.1
83.08574	0.6
91.05464	1.0
93.07026	0.7
95.08590	1.3
105.07040	0.9
107.08563	0.9
109.10165	0.6
112.95692	0.5
119.08559	0.9
139.35698	0.5
157.10156	0.6
169.10043	0.5
185.04285	1.2
282.27829	1.2
310.31091	1.6
475.39072	0.5
565.33356	100.0
566.33777	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	566.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01865	5.7
57.03427	1.3
57.98323	0.2
59.04993	1.7
61.02908	1.1
69.03419	9.4
69.55189	1.0
71.04964	0.5
73.02901	0.7
81.03412	3.2
85.02895	8.6
86.68551	0.3
87.04458	5.4
92.03065	0.3
94.98597	0.3
97.02880	14.6
99.04414	1.5
106.47311	0.3
109.02854	2.8
115.03913	100.0
116.04266	0.9
117.17886	0.3
127.03907	5.4
133.04947	15.9
145.04935	3.9
152.13715	0.3
154.50473	0.2
161.78709	0.2
169.04910	0.5
175.05995	0.4
177.05594	0.3
187.05986	1.4
199.06120	0.4
201.05505	0.3
202.26088	0.3
207.04773	0.5
207.06569	0.3
217.07089	0.8
219.06607	0.7
224.05496	0.9
225.05798	0.7
240.86563	0.3
241.07069	1.3
259.08096	13.5
277.09097	5.0
311.15002	0.3
566.19885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90034	0.2
53.03934	0.9
53.14651	0.3
55.01866	4.5
57.03424	1.0
59.04995	1.5
60.09968	0.2
61.02917	1.3
64.17516	0.3
68.17988	0.3
69.03421	9.0
69.03796	0.4
69.71419	1.1
70.06575	0.3
71.04981	0.3
73.02885	0.7
78.48562	0.3
81.03406	2.4
85.02896	7.8
87.04466	4.8
92.53134	0.3
97.02880	12.6
99.04423	0.7
103.04007	0.3
109.02865	3.0
112.40156	0.3
115.03916	100.0
116.04264	0.9
118.66787	0.3
127.03902	5.4
130.96542	0.2
133.04955	14.6
145.04938	4.2
163.03983	0.3
169.04955	0.3
177.05446	0.3
187.06032	1.3
199.05995	0.6
205.07053	0.4
217.07063	0.9
219.06529	0.8
222.41573	0.3
223.05899	0.3
241.06984	1.7
259.08112	12.6
259.10840	0.7
277.09125	5.9
448.49557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40501	1.2
55.05539	1.8
67.05507	2.6
67.08571	1.4
69.03414	8.5
70.19940	1.4
71.04988	9.4
79.05490	8.8
81.03410	2.9
81.07047	17.4
81.33197	1.4
84.18790	1.2
85.02894	14.5
85.06547	1.7
91.05463	13.2
91.05906	1.3
93.07030	20.1
95.04960	4.1
95.08602	5.4
95.75510	1.4
97.02884	13.6
99.04443	29.3
105.07013	38.2
107.04969	2.3
107.08607	13.5
108.89654	1.5
109.02876	2.5
109.06499	2.7
111.08073	8.6
113.06020	1.7
117.07014	1.4
119.04941	3.3
119.08568	4.4
120.89626	1.4
121.06509	5.6
123.08088	3.6
125.06010	1.6
127.03898	3.3
128.06241	1.4
133.06480	7.4
133.10112	45.3
135.11661	2.2
137.05934	10.3
139.03902	2.9
143.08548	10.0
145.04895	6.7
145.10121	5.1
146.07214	2.5
151.07547	3.4
151.11163	4.2
161.09599	63.3
163.06013	2.0
163.07443	1.8
163.11150	18.7
167.06996	2.4
171.08044	2.4
177.05475	1.4
179.10645	25.0
180.08592	1.8
189.09064	24.1
206.04378	1.8
207.10129	22.7
225.11183	100.0
226.11583	2.7
351.14099	2.0
414.37488	1.3
566.22168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08610	0.6
50.51434	0.6
50.60634	0.6
52.46545	0.6
57.03383	0.7
57.39279	0.7
61.02880	1.0
65.03912	0.9
67.05521	0.9
69.03416	2.5
69.15508	1.5
69.15916	2.9
71.04984	35.7
81.03400	2.3
85.02878	3.0
85.06548	4.1
91.05467	8.0
94.04169	1.3
95.04943	2.1
97.02891	3.7
108.04478	1.1
109.02850	2.3
113.05980	5.2
117.83529	0.7
119.04926	24.0
122.03602	3.6
127.03900	2.6
127.07536	17.4
131.04897	0.8
131.07004	9.2
137.05957	75.8
139.03902	0.7
145.08575	100.0
146.08856	0.9
147.04388	47.5
151.07524	1.2
155.07021	1.3
173.08081	3.2
176.04071	0.8
177.05429	1.6
179.07007	36.2
180.07407	1.2
180.65816	0.8
191.07219	1.6
191.09113	11.1
197.08035	7.3
203.07053	2.5
215.06961	4.0
229.08589	2.4
233.08060	3.4
257.07889	3.7
257.10388	1.1
262.69107	0.7
275.08771	1.2
275.11508	3.6
293.10129	2.3
317.12332	1.5
335.13354	3.4
417.28656	0.7
504.27527	0.9
566.22052	5.5
567.24628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81388	0.4
53.03946	1.1
55.01857	1.4
55.05495	1.9
57.03417	3.0
58.21340	0.4
59.04981	0.9
61.02917	3.2
67.05495	1.1
69.03421	9.4
69.07065	1.2
69.31925	1.2
69.32333	1.0
70.06590	1.3
71.04983	3.1
72.08140	0.6
73.02898	2.0
79.05482	1.8
81.03407	3.8
81.07037	2.6
82.30805	0.4
83.01302	0.5
83.04976	6.5
83.08579	0.7
84.08116	0.4
85.02894	33.1
85.06519	0.6
86.09682	1.5
87.04465	1.0
91.03941	1.4
91.05467	1.9
93.07030	2.1
95.04947	1.4
95.08585	3.6
97.02879	10.2
97.06497	1.0
99.04449	2.0
101.02355	0.4
101.06009	3.5
105.07005	3.4
107.04929	0.8
107.08578	14.0
109.02870	3.3
109.06503	67.8
109.10147	2.5
110.06819	1.0
111.04392	0.8
111.08070	0.6
115.03876	0.6
119.04939	1.0
119.08551	2.6
120.08089	0.7
121.06470	1.2
121.10136	4.8
122.07307	0.6
123.08050	38.8
123.11676	1.0
124.08340	0.6
125.09621	0.7
127.03885	6.6
127.07551	1.1
129.06969	0.6
133.06447	1.0
133.10135	2.4
135.08029	3.4
135.11699	0.9
136.07526	0.6
137.05968	3.6
137.09599	7.4
137.13268	0.5
139.11182	0.6
143.08585	0.6
145.04936	7.5
145.08569	2.6
145.10065	0.9
147.04390	1.1
147.08020	0.6
147.11665	3.4
149.09599	4.9
151.03896	0.5
151.07527	2.1
151.11160	14.8
156.09297	1.3
161.09634	1.1
161.13203	3.2
163.06023	2.2
163.11182	1.9
163.14812	0.8
165.09183	0.4
165.12732	5.5
167.10703	0.9
171.11653	1.8
173.13232	0.7
178.04933	0.7
179.06993	1.1
179.14296	0.7
189.12715	6.0
191.14294	1.3
206.04440	1.2
207.13773	85.1
208.14198	2.3
209.15352	1.1
219.13689	0.4
225.14821	100.0
226.15230	3.0
237.14859	0.5
287.05377	0.9
288.05640	0.8
351.18164	0.6
369.18890	1.7
387.20078	0.8
413.59705	0.5
513.31458	0.4
566.28131	0.6
567.14648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81388	0.4
53.03946	1.1
55.01857	1.4
55.05495	1.9
57.03417	3.0
58.21340	0.4
59.04981	0.9
61.02917	3.2
67.05495	1.1
69.03421	9.4
69.07065	1.2
69.31925	1.2
69.32333	1.0
70.06590	1.3
71.04983	3.1
72.08140	0.6
73.02898	2.0
79.05482	1.8
81.03407	3.8
81.07037	2.6
82.30805	0.4
83.01302	0.5
83.04976	6.5
83.08579	0.7
84.08116	0.4
85.02894	33.1
85.06519	0.6
86.09682	1.5
87.04465	1.0
91.03941	1.4
91.05467	1.9
93.07030	2.1
95.04947	1.4
95.08585	3.6
97.02879	10.2
97.06497	1.0
99.04449	2.0
101.02355	0.4
101.06009	3.5
105.07005	3.4
107.04929	0.8
107.08578	14.0
109.02870	3.3
109.06503	67.8
109.10147	2.5
110.06819	1.0
111.04392	0.8
111.08070	0.6
115.03876	0.6
119.04939	1.0
119.08551	2.6
120.08089	0.7
121.06470	1.2
121.10136	4.8
122.07307	0.6
123.08050	38.8
123.11676	1.0
124.08340	0.6
125.09621	0.7
127.03885	6.6
127.07551	1.1
129.06969	0.6
133.06447	1.0
133.10135	2.4
135.08029	3.4
135.11699	0.9
136.07526	0.6
137.05968	3.6
137.09599	7.4
137.13268	0.5
139.11182	0.6
143.08585	0.6
145.04936	7.5
145.08569	2.6
145.10065	0.9
147.04390	1.1
147.08020	0.6
147.11665	3.4
149.09599	4.9
151.03896	0.5
151.07527	2.1
151.11160	14.8
156.09297	1.3
161.09634	1.1
161.13203	3.2
163.06023	2.2
163.11182	1.9
163.14812	0.8
165.09183	0.4
165.12732	5.5
167.10703	0.9
171.11653	1.8
173.13232	0.7
178.04933	0.7
179.06993	1.1
179.14296	0.7
189.12715	6.0
191.14294	1.3
206.04440	1.2
207.13773	85.1
208.14198	2.3
209.15352	1.1
219.13689	0.4
225.14821	100.0
226.15230	3.0
237.14859	0.5
287.05377	0.9
288.05640	0.8
351.18164	0.6
369.18890	1.7
387.20078	0.8
413.59705	0.5
513.31458	0.4
566.28131	0.6
567.14648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.7
57.03425	5.3
58.37921	3.7
66.34990	3.4
67.05497	10.1
69.03421	28.0
69.07053	10.7
71.04987	27.8
71.18089	5.6
73.11348	4.0
79.05488	19.6
81.03506	4.7
81.07050	44.1
83.04971	6.5
83.08606	7.3
85.02909	24.4
85.06548	4.3
87.04467	14.3
91.05473	23.5
93.07031	35.1
95.04941	8.1
95.08615	22.0
97.02860	23.7
97.06549	6.8
97.10164	8.3
99.08094	12.5
105.07022	52.0
107.08577	34.6
109.06507	4.8
109.10152	20.7
110.70455	4.1
111.11751	4.2
115.03921	18.5
117.07023	8.0
119.08559	27.2
121.06551	4.3
121.10136	46.1
123.08039	4.5
123.11718	9.1
125.09616	39.6
127.03934	5.5
127.07569	7.3
127.11192	7.5
127.91145	3.8
131.08533	9.0
133.04941	18.5
133.10118	87.2
135.11693	14.9
137.06007	10.4
137.09607	5.4
139.11150	6.0
143.10648	85.3
145.04982	9.8
145.10112	18.2
147.11630	23.7
149.09625	4.6
149.13263	13.7
151.11147	6.7
159.11690	16.4
161.13239	14.7
163.11223	6.7
167.07007	8.2
167.14249	33.5
167.33911	4.1
169.12222	6.5
201.16414	20.9
219.17401	100.0
237.18462	25.5
295.10068	4.6
338.10754	5.1
410.90424	4.5
566.16260	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	566.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66846	10.6
55.05500	27.8
57.03430	14.7
59.04988	27.9
67.05499	13.0
68.18628	10.5
68.49865	12.6
68.58731	9.7
69.03413	63.1
69.07056	23.2
69.53895	45.2
71.04993	19.0
73.02931	21.3
73.71890	10.7
74.53044	11.6
79.05485	40.4
80.54337	9.5
81.07053	100.0
81.24162	9.5
82.96265	9.1
85.02892	55.3
85.06557	16.7
87.04457	23.9
91.05487	23.6
93.07034	76.3
95.04971	15.9
95.08600	54.4
97.02883	43.4
97.06508	21.5
97.10181	11.3
101.88673	9.5
103.00079	10.3
105.07005	76.1
107.08583	60.3
109.06519	18.8
109.10150	67.5
111.08861	10.1
115.03910	58.5
117.06962	10.4
119.08573	43.5
121.10097	54.0
123.11716	22.4
125.09616	39.7
127.11196	34.0
131.08578	19.5
133.05002	50.9
133.10121	49.1
135.11691	38.6
143.10645	59.7
145.04993	14.2
145.10126	63.7
147.11736	38.6
149.13293	26.3
151.11151	22.4
158.01331	11.1
159.11688	13.3
161.13242	43.5
179.14304	18.7
191.17957	13.8
192.45500	10.1
201.16377	33.4
213.01466	10.6
219.17453	47.2
237.18489	28.1
242.72200	10.1
295.10117	13.1
328.67807	10.1
341.13611	12.2
347.50882	11.7
405.18372	14.5
486.26434	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	566.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.7
57.03425	5.3
58.37921	3.7
66.34990	3.4
67.05497	10.1
69.03421	28.0
69.07053	10.7
71.04987	27.8
71.18089	5.6
73.11348	4.0
79.05488	19.6
81.03506	4.7
81.07050	44.1
83.04971	6.5
83.08606	7.3
85.02909	24.4
85.06548	4.3
87.04467	14.3
91.05473	23.5
93.07031	35.1
95.04941	8.1
95.08615	22.0
97.02860	23.7
97.06549	6.8
97.10164	8.3
99.08094	12.5
105.07022	52.0
107.08577	34.6
109.06507	4.8
109.10152	20.7
110.70455	4.1
111.11751	4.2
115.03921	18.5
117.07023	8.0
119.08559	27.2
121.06551	4.3
121.10136	46.1
123.08039	4.5
123.11718	9.1
125.09616	39.6
127.03934	5.5
127.07569	7.3
127.11192	7.5
127.91145	3.8
131.08533	9.0
133.04941	18.5
133.10118	87.2
135.11693	14.9
137.06007	10.4
137.09607	5.4
139.11150	6.0
143.10648	85.3
145.04982	9.8
145.10112	18.2
147.11630	23.7
149.09625	4.6
149.13263	13.7
151.11147	6.7
159.11690	16.4
161.13239	14.7
163.11223	6.7
167.07007	8.2
167.14249	33.5
167.33911	4.1
169.12222	6.5
201.16414	20.9
219.17401	100.0
237.18462	25.5
295.10068	4.6
338.10754	5.1
410.90424	4.5
566.16260	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	567.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62217	1.2
57.61913	1.3
71.17625	1.8
72.20613	1.3
79.05505	1.3
82.46473	1.2
83.08623	1.4
89.02319	1.2
91.05491	1.5
93.07063	2.2
95.08566	1.8
100.11249	2.8
105.07021	2.5
110.42657	1.2
119.08551	1.4
131.04877	2.1
132.01379	1.2
133.02875	1.3
133.06432	1.7
137.05925	2.6
149.05998	1.3
161.05980	2.4
163.07449	2.1
167.07048	5.9
187.07573	1.7
276.08051	1.2
301.91193	1.5
339.12460	3.2
395.06720	1.3
437.07574	2.8
567.14648	100.0
567.21985	4.1
568.14825	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	567.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01876	0.7
55.05498	1.1
67.05485	1.4
69.03416	1.8
69.07082	0.8
73.02900	1.1
75.82156	0.8
79.05474	1.4
81.03407	1.0
81.07054	1.4
83.04977	3.3
83.06082	3.2
84.04490	9.7
85.02888	4.0
91.05450	1.4
93.07035	2.7
95.08591	0.9
97.02894	2.6
99.04431	3.2
100.11256	0.8
101.07113	2.2
102.05496	0.8
103.03944	1.0
105.07003	1.8
109.02858	9.6
111.04404	0.7
117.07010	1.5
119.08579	2.3
123.08025	0.9
127.03909	14.4
129.06570	4.3
130.04982	4.5
131.08562	1.1
133.10193	1.1
136.61162	0.7
145.04965	1.4
145.10153	1.7
147.07593	4.1
149.05946	0.8
149.09659	1.0
154.74477	0.8
159.07988	0.9
159.11655	0.9
173.11847	0.8
177.05426	9.9
177.12749	1.1
191.03377	3.3
193.04816	0.7
203.03403	9.1
204.04189	1.1
205.04939	1.4
206.05553	0.8
210.14731	0.9
217.04938	1.6
218.05769	1.1
219.06497	0.9
225.31905	0.7
231.06485	6.0
246.08797	2.6
257.19046	0.9
261.11188	100.0
262.11511	1.8
275.20010	4.1
276.03009	1.0
292.22537	1.3
314.08963	0.8
333.30740	0.8
347.09454	5.8
368.95117	0.8
403.25601	1.7
421.27127	1.2
438.29553	0.8
531.18402	1.3
567.27734	7.5
568.28583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14975	1.3
53.03955	2.1
53.21734	1.7
54.21426	1.3
55.01870	2.6
61.12055	1.8
65.03932	10.7
69.25626	1.4
69.71130	2.6
69.71503	3.7
70.22924	1.7
78.04697	4.7
79.05478	8.3
81.07014	1.7
82.04221	1.5
91.05462	13.4
93.03387	3.8
95.04941	5.3
100.11246	2.4
103.05466	7.6
105.04540	1.9
105.07021	12.1
106.04158	3.6
107.04951	12.8
110.03651	6.8
110.04360	1.5
111.04458	8.3
115.05418	5.4
118.04147	2.4
119.04928	9.5
119.08555	3.0
121.06474	2.4
122.03656	1.6
123.04366	9.4
124.05213	5.0
125.05969	10.4
128.06200	4.0
129.06972	7.8
131.04886	7.5
132.05710	4.2
133.02820	3.0
133.06470	9.2
136.05322	1.6
137.05965	13.8
144.05688	2.2
145.47580	1.5
147.04408	10.3
147.08028	4.4
149.06058	2.7
151.03915	3.2
152.04716	2.3
153.05440	39.4
155.04916	2.0
156.05777	1.8
159.08043	9.9
161.05994	15.6
163.07513	2.9
167.07024	100.0
168.07356	2.9
172.05228	3.0
175.07541	26.5
178.07813	2.3
179.07039	4.5
182.15349	1.7
184.05409	1.8
185.05994	2.0
187.07512	21.6
189.05415	6.2
189.07014	3.6
189.09059	3.6
190.07751	4.6
191.07010	8.9
191.08566	3.8
193.09996	1.8
199.07521	8.5
202.07733	7.1
203.06889	2.0
203.08572	6.5
205.06412	4.5
206.07230	4.5
206.93297	1.9
207.06372	2.5
207.08101	2.3
215.08624	2.2
218.07271	6.3
219.08023	7.1
220.08737	2.5
221.06010	2.6
221.09613	4.6
229.08600	2.1
231.08031	5.6
232.08849	2.3
233.05891	4.0
233.09641	6.1
234.06754	4.5
235.07619	6.8
236.08252	2.7
243.08044	1.9
245.05940	2.8
246.06758	2.8
247.07532	5.7
248.08304	6.7
249.09013	9.5
251.07106	2.1
251.10629	4.7
259.07498	3.1
260.08279	4.6
261.05624	2.0
261.09055	6.4
262.06192	3.2
262.10010	2.2
263.07162	4.0
263.10596	3.9
264.07825	4.1
265.08591	8.6
275.06940	4.2
276.07861	9.2
277.08588	7.6
278.09338	4.8
279.10107	6.1
281.08588	2.5
281.11563	9.0
288.07620	2.2
289.08551	5.1
290.09381	2.4
291.06668	1.8
291.10046	4.4
293.07999	4.9
293.11594	4.0
294.08801	2.1
295.09683	3.1
304.07138	2.3
305.07886	2.9
307.09528	16.1
308.10468	7.5
309.11105	9.4
319.09564	10.1
321.11169	8.4
322.11658	3.1
323.12720	7.0
339.12210	39.2
340.12576	2.2
341.13837	13.9
351.12241	17.4
353.13666	7.7
567.16241	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.8
55.45364	2.1
65.03938	5.3
67.05490	2.5
68.67406	2.2
70.54073	4.7
78.04720	3.3
79.05487	9.5
83.04969	6.0
85.02885	3.8
90.35639	2.2
91.05473	10.2
95.04958	3.6
95.08596	3.4
97.02881	5.8
100.11243	9.6
103.05444	5.9
105.04504	3.5
105.07033	10.1
106.04179	2.8
107.04946	9.7
110.03656	7.2
111.04453	13.9
115.05461	5.1
117.06997	3.0
119.04924	6.1
119.08589	6.8
122.03648	3.4
123.04428	6.5
124.05197	2.4
125.05956	3.3
128.06210	2.8
129.06984	4.7
131.04906	6.2
131.08475	2.3
133.02829	3.1
133.06485	9.8
137.05959	8.3
146.03702	2.1
147.04404	10.3
147.08083	3.2
149.06003	4.2
151.03967	2.4
151.07513	2.7
152.04614	4.3
153.05444	24.3
159.07983	4.7
160.05112	2.5
161.05980	12.4
163.07506	4.1
165.05392	2.5
167.07021	100.0
175.07535	27.6
177.05479	3.0
179.06998	4.4
181.04941	4.8
182.15416	4.9
187.07542	15.9
188.69443	2.5
189.05449	4.3
189.09109	2.8
189.16393	3.0
191.07008	16.4
191.08461	3.6
199.07510	8.7
203.08577	5.8
206.20924	2.6
209.08006	3.5
210.14819	5.5
215.08626	2.9
218.07243	5.4
219.08125	4.6
221.09685	3.9
226.18915	2.6
231.08000	5.1
233.09718	4.4
234.06685	4.4
235.07503	5.8
247.07645	3.3
248.08325	5.2
249.09093	5.7
251.10654	4.8
253.08618	2.4
259.07605	3.6
261.05524	2.8
261.09103	4.2
264.07669	4.9
265.08456	3.9
273.09070	2.7
276.07742	7.7
277.08609	6.9
278.09378	4.5
279.10083	5.4
281.11691	8.0
289.08484	6.5
289.16635	2.4
291.10175	5.2
293.08127	4.6
293.11511	3.8
294.08908	2.8
307.09665	12.0
308.14075	2.5
309.11212	8.7
311.09314	2.3
319.09598	10.0
321.11215	7.0
323.09134	4.6
323.12637	5.9
337.10547	3.7
339.12213	26.6
341.13663	18.2
351.12158	17.8
353.13724	8.1
427.52887	3.0
539.10345	2.5
545.05145	2.7
567.23022	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	567.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
61.80122	0.5
69.91220	1.3
95.04955	1.0
98.22982	1.5
100.11246	1.0
137.02097	0.7
137.05980	1.4
148.05138	0.6
151.86086	0.6
158.86392	0.6
161.06036	0.6
167.07057	1.1
175.04037	0.6
175.98726	0.5
181.04999	0.8
185.04189	0.7
191.07030	1.1
202.14310	0.5
204.16335	0.5
205.04910	1.2
209.07971	0.6
219.10342	0.6
291.15594	4.4
299.07318	47.7
300.07764	0.9
348.10715	0.7
523.24957	2.5
567.24036	100.0
568.24310	3.2
576.23474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15909	0.5
51.97812	0.6
55.05513	0.8
69.11906	3.5
81.07027	0.6
91.05475	1.2
95.08633	0.6
98.22715	1.3
100.11259	0.7
103.05460	0.9
105.04562	0.5
131.04935	1.5
137.05966	1.0
151.03867	0.7
155.03104	0.6
163.07530	0.7
167.07043	1.1
173.74811	0.5
182.15326	0.5
201.03716	2.2
203.05275	1.6
210.14894	0.9
257.15192	1.0
265.08755	0.6
275.07504	0.9
309.11206	0.9
317.08466	0.7
333.07867	45.0
335.09439	20.1
339.12317	1.5
567.24042	100.0
567.86310	0.6
568.24396	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	567.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.7
57.20773	0.6
89.37326	0.7
137.45633	0.7
163.52060	0.6
197.64809	0.7
203.05367	1.3
259.07919	1.5
331.09866	0.9
387.15561	0.8
405.22687	0.9
567.27686	100.0
568.27667	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	567.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77964	1.0
57.76406	0.9
65.91293	1.0
67.05504	1.7
71.44849	1.2
79.35867	1.0
81.07042	1.7
91.05476	1.4
95.08623	1.9
107.08569	1.8
119.08552	2.4
121.10139	2.2
124.52502	1.1
145.10110	1.2
185.04201	1.4
236.62193	1.0
331.09943	5.4
373.14545	1.1
377.96411	1.0
401.18121	1.3
405.22418	1.9
455.18661	1.7
469.20313	6.8
549.26611	28.3
567.27557	100.0
568.27966	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	567.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00946	0.7
66.27358	0.5
67.05463	0.7
68.82703	0.5
71.44312	0.6
72.09323	0.6
79.05487	0.5
91.65248	0.6
105.07039	0.7
107.08577	0.7
170.92079	0.5
185.04196	1.0
195.71849	0.5
201.40889	0.5
203.05286	2.0
259.07861	1.7
302.66678	0.6
331.09988	2.8
359.13074	0.6
373.14600	1.3
387.21310	1.5
427.18942	0.8
455.19025	1.7
469.20370	6.0
549.26660	25.7
550.26636	1.4
553.77161	0.6
567.27594	100.0
568.27795	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	568.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01861	0.8
61.02940	0.5
67.05497	0.4
69.03414	1.6
70.06571	0.6
71.04228	0.7
71.04971	0.5
78.04691	1.3
79.05480	2.7
81.03389	0.9
83.05012	0.4
85.02889	5.5
91.05467	4.8
93.07019	0.5
95.04944	1.6
97.02873	1.5
103.05439	1.5
105.07014	4.2
106.04147	1.5
107.04930	5.4
109.06463	0.7
115.05447	2.1
117.07030	2.0
118.04160	0.7
119.04931	2.6
119.08538	2.0
121.06483	0.8
122.03645	0.8
123.04404	4.2
124.05203	2.4
127.03899	0.8
128.06207	1.4
129.06972	3.6
130.22699	0.4
131.04907	2.5
132.05685	1.2
133.02744	0.4
133.06470	3.5
136.05125	1.3
137.05980	2.2
143.04874	0.5
143.06020	0.6
144.05640	0.6
145.04929	1.3
145.06465	2.7
147.04401	0.9
147.08044	2.7
149.05959	0.8
151.03841	1.0
151.07510	3.0
151.26469	0.5
152.04649	1.9
153.05455	1.1
155.04878	0.6
155.06993	0.5
156.05739	0.5
157.06505	0.9
159.08035	2.8
160.05096	1.0
161.05957	7.7
162.06607	1.0
163.07504	1.8
167.07008	100.0
168.07375	1.2
169.06467	0.6
171.07928	0.5
172.05190	0.6
173.05940	0.9
175.07504	18.7
176.04637	0.8
177.05406	1.1
178.07722	0.7
179.07004	10.1
180.08620	1.4
181.08551	0.5
185.05981	0.5
187.07521	9.4
187.09195	0.5
189.09109	0.9
189.49628	0.4
191.07025	8.7
191.08661	0.9
193.08583	2.9
197.52553	0.4
199.07515	3.5
202.07683	0.6
203.08549	0.8
205.06606	1.0
205.08513	5.2
206.07253	1.5
209.07982	1.9
217.06543	0.9
217.08574	2.4
218.07237	0.8
219.08028	1.3
221.09601	1.8
223.07640	0.6
223.09671	1.1
231.07883	0.9
233.05930	0.7
233.09531	1.1
234.06729	1.5
235.07487	1.1
235.09543	0.5
246.06761	0.6
249.09109	2.7
251.07034	1.1
261.09091	1.3
262.06226	0.5
263.06912	1.0
265.08585	0.6
275.06848	0.6
277.08466	1.7
278.09222	1.0
281.11752	4.3
283.09506	0.6
289.08469	1.1
291.10025	0.6
293.07843	0.5
294.08759	0.9
295.09589	0.5
306.08774	0.6
307.09525	1.0
308.10388	0.5
309.11185	5.4
310.11780	0.6
311.09143	1.0
321.11169	2.9
323.08856	0.5
326.11456	2.1
327.12161	0.6
339.12228	1.2
341.13776	16.8
342.14005	0.8
344.12555	1.0
353.13620	5.1
359.14822	8.3
371.14865	9.3
389.15921	0.9
411.10516	0.4
513.24725	0.4
568.24084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.1
55.05505	2.6
57.06526	1.8
61.91972	1.5
65.03924	1.9
67.55714	1.9
69.03410	5.3
69.29683	9.5
70.06592	2.0
79.05482	5.7
81.03400	7.4
81.07049	3.4
82.43633	1.5
83.04927	1.7
85.02893	14.2
91.05427	4.3
93.07034	4.4
94.04145	2.6
95.04953	3.7
97.02900	2.9
100.11237	5.6
103.05434	2.7
105.06995	3.7
107.04955	7.8
107.08598	2.5
109.10160	2.4
111.04429	2.6
115.05425	9.1
117.07021	13.3
121.10114	1.6
122.03630	4.7
123.04431	3.0
124.05216	2.3
125.05997	2.6
127.03898	2.6
128.06175	2.2
129.06979	8.8
131.04906	6.5
131.08545	3.6
133.06468	2.8
137.05959	79.9
138.06277	4.3
141.06963	2.5
143.04893	8.2
144.05650	4.3
145.04930	4.0
145.06467	28.7
151.04007	1.8
155.06024	6.1
156.05690	3.1
157.06453	5.5
159.07997	7.6
160.05211	16.0
161.05934	7.8
163.07506	4.4
167.07018	44.4
172.05180	4.0
173.05940	45.2
174.06699	3.5
175.07524	100.0
176.07872	2.4
177.05521	2.6
181.04997	2.5
187.07524	36.8
189.09120	8.2
190.06236	19.3
191.07001	4.1
191.14351	2.6
193.08560	2.7
201.09016	2.0
202.06171	2.8
203.07019	5.3
205.08578	85.5
209.15349	4.4
217.08553	35.3
223.09633	3.0
227.12711	2.2
227.16354	4.0
233.09610	3.6
235.07323	2.8
235.09633	42.3
241.08589	3.9
247.09637	5.6
249.08981	2.8
261.09045	4.1
265.08563	1.5
265.10727	26.2
277.08627	3.3
278.09204	3.0
285.07468	7.2
293.11679	3.4
300.09851	8.2
301.10635	5.6
306.08813	2.7
309.11212	6.3
313.10648	1.8
318.56335	2.1
321.11121	6.7
326.11484	2.6
341.13754	8.6
353.13797	13.2
371.14828	22.5
372.32315	2.0
567.42889	7.1
568.24066	2.5
568.43298	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	568.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32869	2.8
61.02896	2.8
67.05511	3.0
68.57476	2.7
69.03423	7.4
69.39941	13.7
79.05493	5.1
81.03409	11.0
84.04493	3.7
85.02895	17.1
88.98811	2.6
91.05482	4.9
97.02865	4.4
103.05460	5.8
104.05357	2.7
105.07023	5.3
107.04951	10.5
115.05447	10.5
117.07003	13.8
120.08086	3.7
121.06528	2.9
122.03670	5.5
123.04405	2.6
129.07002	10.7
131.04910	9.7
131.08568	4.0
137.05968	97.0
137.09604	2.6
138.06400	3.0
141.57494	2.5
143.04939	9.4
144.05707	6.2
145.06473	25.2
147.04312	2.5
151.03967	3.5
151.07430	4.0
156.05701	4.1
157.06467	7.2
159.08058	4.7
160.05206	15.4
161.06061	4.7
163.03986	2.9
163.07518	5.7
167.07013	43.6
173.05956	41.9
175.07532	100.0
177.05478	5.0
179.75903	2.8
180.08669	7.8
187.07529	38.4
189.09129	6.6
190.06224	24.2
193.08542	3.7
203.07097	6.7
205.08575	89.3
217.08571	34.8
235.09644	37.8
237.09123	2.8
247.09654	8.2
249.09132	3.5
261.09006	5.0
265.10721	22.1
268.67542	2.8
278.09192	4.0
285.07617	2.8
293.11627	3.2
300.09903	6.0
301.10751	3.2
309.11456	3.2
313.10339	3.3
321.11160	9.8
329.06223	2.7
341.13785	9.3
353.13730	11.9
359.21713	3.1
371.14911	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	568.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79069	0.5
67.05497	0.9
68.99772	0.7
69.07053	0.8
69.99566	1.0
69.99905	0.5
71.61185	0.6
79.05516	0.6
81.07054	1.4
83.01300	1.1
88.64053	0.5
91.05453	1.5
93.07002	1.2
95.08603	0.5
103.05434	0.8
104.80613	0.5
105.07005	0.6
106.04211	0.7
109.10140	3.7
112.25356	0.5
113.02366	0.8
121.06491	4.3
123.11655	1.7
131.04895	3.6
133.02884	0.5
134.03621	1.0
147.04411	2.8
149.02177	0.6
149.05956	2.9
159.04376	1.5
162.03098	8.7
163.07550	0.5
173.06010	0.6
177.05486	2.9
189.05435	1.3
190.02579	15.1
191.03171	0.5
192.04216	1.1
193.04926	1.2
199.03859	0.8
203.03372	0.9
205.04936	100.0
206.05281	2.3
207.06503	12.5
217.04964	0.9
219.06482	10.1
223.06033	2.1
227.07027	0.7
231.06546	2.4
233.08064	3.7
245.08049	1.8
247.09624	3.4
254.36320	0.5
255.64763	0.5
259.09604	3.9
261.11203	5.8
271.09607	1.7
273.11154	12.2
287.12857	1.1
301.06830	1.0
310.25192	0.5
316.09235	1.1
326.93719	0.6
327.15894	4.0
329.17407	8.1
330.17975	0.5
341.17526	1.1
397.08902	0.9
451.13406	0.6
456.21222	2.2
477.15494	0.6
533.21143	2.2
539.60388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.6
59.04949	5.8
60.21794	5.5
67.05483	10.3
69.03422	15.2
69.07051	8.5
71.44183	4.4
79.05486	11.5
81.03411	7.0
81.07032	23.1
83.04961	18.8
85.02890	32.0
91.05479	6.0
93.07037	24.3
95.04967	40.4
95.06049	7.8
95.08584	17.8
97.02872	10.2
97.06511	15.1
99.04427	7.8
105.07010	28.0
107.08567	37.5
109.02877	6.1
109.06509	41.9
109.10162	39.4
111.08060	7.7
112.08726	20.4
115.07561	13.5
119.08553	25.4
120.08041	6.9
121.10146	24.7
123.04402	14.6
123.08057	10.5
123.11708	8.6
125.09578	5.2
127.03885	8.3
131.08568	20.0
133.10107	81.7
135.08069	7.3
135.11650	19.7
137.05984	9.7
139.11209	6.4
145.04971	8.8
145.10107	9.7
147.11667	24.8
149.09676	6.1
149.13203	20.6
151.11156	10.4
153.09084	20.4
158.10910	10.2
163.14906	5.6
165.05449	13.0
165.12709	5.6
173.13246	62.1
175.14796	46.2
191.14268	76.0
209.15329	100.0
227.16423	49.9
330.93774	4.6
369.74692	4.5
591.07007	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	568.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	2.7
55.05493	5.3
57.03419	6.1
57.07064	4.5
61.02908	3.6
64.93496	2.0
67.05485	5.3
69.03423	12.1
69.07051	6.3
71.04980	5.0
79.05480	8.2
81.03400	3.5
81.07041	15.3
83.04955	9.0
83.08602	6.9
85.02898	30.9
85.06519	3.5
87.04425	2.4
87.08635	1.9
91.05464	7.1
93.07043	11.3
93.93192	1.9
95.04955	57.4
95.06123	2.4
95.08582	11.0
97.02909	5.4
97.06521	22.9
99.04440	12.8
103.05519	1.9
105.07014	21.1
107.08562	20.5
109.02835	2.4
109.05830	3.4
109.06510	33.8
109.10146	18.0
111.08048	4.3
117.94651	2.5
119.08539	18.0
121.10123	16.1
123.08054	5.8
123.11703	3.4
127.03910	7.3
131.08543	20.3
133.10109	68.7
135.08043	9.0
135.11693	10.7
137.05998	2.6
139.11171	25.2
145.04907	3.8
145.10095	7.2
147.11678	21.6
149.13210	8.1
151.11134	4.2
153.09081	32.6
158.10921	6.6
158.72902	2.0
163.14778	3.7
165.12749	5.3
165.57420	2.2
167.14302	2.0
171.10204	2.5
173.13237	57.9
175.14778	24.5
191.14272	49.2
209.15331	100.0
227.16373	84.4
309.34695	2.1
314.20123	2.2
381.57092	2.1
474.25308	2.1
475.11328	2.0
528.35883	2.3
542.13416	2.2
568.19781	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	568.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.0
55.05503	16.8
57.03423	5.8
61.02907	8.2
66.18292	1.9
67.05509	2.3
69.03416	16.7
69.07055	7.3
70.02662	6.0
70.06586	5.1
71.04979	4.8
79.05477	4.9
81.03410	5.8
81.07045	5.8
83.04963	32.6
83.08601	7.5
85.02893	89.6
85.06520	3.1
87.04475	2.6
91.03910	4.8
91.05480	4.9
93.07027	8.2
95.04955	4.6
95.08598	8.0
97.02881	17.0
97.06528	2.1
97.10155	7.2
99.04451	3.8
105.07031	4.3
107.08575	46.0
109.02877	8.7
109.06515	5.5
109.10143	7.1
111.08072	18.4
113.05990	5.0
115.07281	2.0
117.66453	1.9
119.08607	5.8
121.06503	2.3
121.10115	15.1
123.08093	2.8
123.11685	4.1
125.09631	5.0
127.03893	21.8
127.07545	3.7
131.08528	5.7
133.10103	21.9
135.08069	9.1
135.11681	10.2
137.05997	3.1
137.09657	6.2
145.04936	25.3
147.11662	4.6
149.13254	8.3
149.88902	2.2
151.11183	8.9
153.09088	35.7
158.10924	2.1
163.05986	18.5
163.14793	6.3
173.13226	13.9
191.12524	4.8
191.14278	100.0
209.15346	58.4
227.16496	4.7
228.59222	2.1
272.48837	2.1
294.69785	2.6
400.56198	2.3
464.89224	2.4
568.32800	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59237	2.5
55.05493	7.1
57.03407	4.5
57.07061	2.8
59.05003	3.7
62.15560	2.5
67.05486	11.0
69.03399	8.9
69.07064	7.2
69.38046	12.7
70.33987	2.5
71.04973	3.5
79.05485	6.5
81.03404	6.2
81.07031	20.6
83.04982	15.0
83.08607	8.0
85.02894	24.5
85.06525	4.2
91.05464	9.1
93.07048	15.8
95.04951	34.0
95.08595	12.7
97.02880	7.5
97.06532	5.1
99.04443	4.9
105.07006	30.2
107.08585	29.7
109.02879	3.5
109.06502	16.6
109.10136	30.0
111.08046	3.8
115.07559	3.5
119.08559	28.0
119.10787	2.7
121.02838	3.9
121.10122	17.5
123.08065	6.6
123.11672	5.9
125.09631	4.9
127.03893	6.3
127.05708	2.7
131.08537	14.2
133.10109	62.3
135.08031	9.9
135.11646	17.7
139.11165	6.1
145.04970	4.5
145.10141	5.8
147.11670	18.6
149.09631	3.9
149.13225	14.6
151.11162	4.0
153.09099	18.6
157.76770	2.9
158.10864	4.3
163.14812	4.7
163.70914	2.6
167.14250	5.7
173.13240	46.4
175.14790	100.0
191.14302	42.1
193.15862	3.4
209.15326	70.2
209.17192	4.6
227.16431	29.8
234.98935	3.8
297.66162	3.1
346.87024	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	568.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44598	4.9
51.50232	5.2
55.05519	7.4
57.03427	14.7
57.08492	5.2
62.99245	4.6
67.05501	12.6
67.56085	5.3
69.03426	31.0
69.07062	14.1
70.56852	6.0
70.57213	7.6
71.04984	25.4
73.02911	21.6
79.05489	20.0
81.07047	100.0
83.08593	8.0
85.02897	67.0
86.09682	7.9
87.04462	12.0
91.05479	17.0
93.07036	50.4
95.04968	7.7
95.08584	34.9
97.02879	55.9
99.08084	8.2
105.07021	52.7
107.08587	46.5
109.02887	6.3
109.10150	38.7
115.03924	28.2
118.97124	5.7
119.08564	98.4
121.10098	13.5
123.11707	24.6
125.09612	11.8
127.03928	18.2
127.11179	34.3
131.08553	6.0
133.04929	38.0
133.10117	32.2
135.11684	94.0
137.06007	8.4
137.13289	5.9
143.02670	5.3
143.10646	30.0
145.04971	29.2
147.11705	25.2
149.13235	10.0
151.07668	5.8
153.12724	11.0
161.13232	15.7
163.05989	16.6
173.06024	5.7
196.59995	5.5
203.17929	81.9
221.18961	90.8
241.07050	7.9
241.09656	6.3
259.08017	24.9
273.99133	5.7
295.10211	19.8
299.10202	9.8
373.13483	11.8
382.91910	6.0
473.66025	5.5
514.00623	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	569.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16829	1.8
69.21445	4.9
69.21846	5.5
98.97572	2.1
112.30070	1.6
141.85153	1.9
154.89142	1.9
169.07603	2.0
246.39174	1.8
389.22949	8.7
421.10410	1.9
514.94952	2.1
569.27167	100.0
570.27216	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96848	0.5
69.68884	0.9
69.69277	0.8
76.05403	0.4
84.04487	0.9
98.22678	0.7
102.05542	0.6
134.76703	0.4
171.59949	0.5
185.04114	0.9
194.30608	0.4
201.03767	0.5
203.05313	1.1
219.78702	0.4
259.07901	1.6
264.95703	0.4
275.20129	0.4
331.10004	1.3
359.13080	0.7
402.96603	0.4
407.23969	1.4
457.20413	0.9
471.22049	2.1
563.67462	0.4
569.29230	100.0
570.29578	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44326	0.3
53.89396	0.3
89.81334	0.4
112.96957	0.4
149.33998	0.4
153.41585	0.3
166.76672	0.4
166.78540	0.3
227.29025	0.4
295.15305	0.5
301.12262	0.4
331.10007	0.8
407.24094	1.2
457.20520	1.7
471.21982	3.0
487.21112	0.7
562.64801	0.5
569.29242	100.0
570.29596	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	569.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27271	0.4
56.80976	0.4
59.68100	0.4
60.05619	0.5
65.68619	0.4
67.38272	0.4
69.66154	1.0
71.56729	0.5
79.05482	0.4
109.41290	0.5
181.89146	0.5
203.05284	0.7
259.07831	1.1
353.06522	0.5
407.24127	1.6
431.18634	0.9
483.22110	0.7
497.23654	0.9
511.25391	1.1
569.29254	100.0
570.29718	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	570.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23708	0.3
53.03934	1.1
55.01866	5.1
57.03429	0.9
59.04985	1.4
61.38216	0.4
69.03062	0.6
69.03419	10.9
70.51468	0.7
71.05000	0.3
73.02888	0.8
81.03403	5.5
85.02892	5.6
87.04455	6.3
95.04971	0.5
97.02878	15.2
99.04434	1.2
103.03911	0.3
109.02859	6.3
111.04440	0.4
115.03912	100.0
116.04263	1.1
123.04429	0.6
125.02347	0.4
127.03892	8.2
133.04950	11.8
139.03883	0.7
145.04912	2.7
151.03896	0.8
157.04904	0.4
169.04939	0.7
175.05998	0.6
175.76080	0.4
187.06000	1.2
193.05148	0.4
199.05922	0.5
205.05038	0.4
210.98918	0.3
211.06035	1.0
217.07053	0.8
223.05962	1.6
229.07018	1.3
241.07016	2.8
259.08105	11.8
259.10867	0.7
277.09134	10.2
278.09451	0.4
301.09116	2.3
337.09210	0.4
355.10059	1.2
367.10190	0.5
373.11130	2.1
385.11185	0.8
387.78217	0.3
429.83365	0.4
430.30756	0.3
476.99478	0.3
481.13217	1.1
499.14484	1.3
517.15619	1.3
570.20532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01867	4.2
57.03423	1.0
59.04985	1.4
61.02906	0.5
63.06896	0.3
66.47881	0.3
69.03058	0.7
69.03417	9.8
69.14547	2.1
73.02907	0.9
73.81576	0.3
81.03404	3.2
85.02892	6.3
87.04451	5.1
87.04939	0.4
97.02879	13.5
99.04447	1.1
109.02856	3.4
109.04006	0.3
115.03912	100.0
116.04227	0.7
126.06652	0.3
127.03904	5.1
133.04950	19.6
145.04941	3.6
187.06012	1.0
223.05920	0.4
241.07057	2.4
259.08096	14.1
277.09131	25.2
278.09564	0.4
391.11917	0.3
529.33728	0.3
531.51074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
53.52110	0.3
55.01860	4.5
57.03438	0.7
57.83737	0.3
59.04987	1.6
61.02932	0.5
69.03422	10.0
69.62064	1.0
69.62460	0.6
73.02891	0.7
81.03408	2.7
85.02892	7.8
87.04459	4.2
92.65105	0.3
97.02249	0.7
97.02878	13.3
97.76153	0.4
98.22733	0.5
99.04449	0.6
108.28362	0.3
109.02861	2.7
115.03913	100.0
116.04254	0.7
127.03883	4.8
133.04947	17.5
145.04929	3.5
187.06021	0.5
189.07846	0.4
198.20618	0.3
199.05907	0.5
226.83328	0.3
241.06950	1.7
259.08105	14.2
277.09140	23.6
288.37158	0.4
415.17694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45636	1.2
55.01873	1.3
56.96564	1.2
57.24789	1.1
57.49520	1.0
57.63763	1.0
65.68501	1.1
67.05492	5.0
69.03432	7.2
70.13706	1.5
70.14036	2.6
71.01334	1.9
74.02439	1.5
79.05473	5.9
81.03410	2.4
81.07041	1.9
83.01292	1.1
85.02894	8.6
86.09691	38.3
91.05462	9.5
93.07041	2.8
95.04954	30.0
96.29324	1.3
97.02881	18.7
98.97578	1.5
99.04399	1.4
102.62067	1.5
102.62700	1.1
103.05466	2.0
105.03396	1.9
107.04952	6.6
109.02882	8.5
109.06481	3.5
113.02444	1.3
115.03914	30.2
119.04903	8.2
121.02841	6.5
121.06467	5.7
123.04411	27.5
125.02388	1.6
127.03898	2.2
131.04918	1.4
132.10185	33.4
133.02849	4.3
133.04910	2.9
135.04422	6.3
137.05997	6.1
139.03874	2.9
145.04953	1.4
147.04361	11.8
148.04788	1.4
149.02327	8.1
149.05949	13.3
151.03888	50.6
153.05475	2.0
160.75027	1.1
163.03850	1.2
165.05461	13.6
167.03372	8.5
167.07028	27.9
169.05049	1.7
174.40044	1.5
175.03830	5.4
181.04974	3.5
193.04941	23.9
211.05984	77.3
229.07037	100.0
230.07396	2.0
237.02803	1.4
247.08179	6.4
259.08142	3.5
277.09180	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	570.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70422	2.1
55.01855	3.2
57.03449	1.9
63.35131	2.2
67.05474	2.3
69.03419	8.6
70.06562	2.6
71.04974	18.0
71.45215	2.5
81.03384	3.2
84.23109	1.9
85.02881	10.8
85.06532	3.8
90.55748	2.1
91.05464	18.0
91.76466	2.1
95.04967	4.6
97.02871	10.6
103.05455	14.1
105.07001	10.2
107.04925	3.6
109.02858	3.0
109.06496	3.3
113.06023	6.0
115.03896	3.8
115.05459	5.8
117.03397	3.2
117.07027	3.1
119.04915	15.9
121.06530	4.7
122.02763	4.7
122.03578	4.3
127.03917	4.4
127.07536	8.5
130.04118	4.9
131.04892	20.9
133.02814	19.5
133.06479	8.3
135.04355	3.0
137.05954	61.1
139.03864	2.1
139.62263	2.1
143.04936	2.8
145.02779	10.1
145.04956	2.8
145.06454	7.2
145.08575	33.2
147.04393	19.2
149.05984	10.4
150.06732	6.8
151.03844	3.5
151.07495	3.0
158.03639	7.2
161.02365	2.6
161.05977	16.4
162.06763	12.5
163.07529	31.5
164.08301	3.3
165.05415	2.3
169.57484	2.2
171.37146	2.5
173.05931	16.6
175.03906	8.7
175.07587	3.0
177.05411	20.2
179.07021	6.5
186.03220	2.7
191.06990	7.9
193.04932	6.3
201.05429	100.0
205.06444	6.2
207.06508	6.6
212.03748	5.2
219.03311	2.9
219.06473	34.6
231.06512	6.4
233.05923	4.5
234.06703	3.4
236.05884	14.2
236.07896	3.2
237.09077	5.2
253.08661	2.6
263.07120	2.6
265.08643	9.7
277.08521	2.6
293.08035	7.7
294.08701	2.7
305.07831	2.5
307.09497	6.9
310.08447	2.5
323.09021	17.1
325.10605	45.5
333.35074	2.4
337.10699	8.4
343.11688	13.0
355.11676	25.5
375.01459	2.4
467.45123	2.2
570.18518	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	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01860	1.2
57.03427	3.8
60.14120	0.5
61.02922	5.7
61.32921	0.5
64.95322	0.5
65.03935	1.9
69.03423	12.2
69.07091	0.7
69.24912	1.6
69.25323	1.7
71.05012	2.7
73.02905	3.6
74.06107	0.5
79.05483	1.4
81.03407	4.5
81.07050	0.8
85.02894	67.9
87.04458	0.8
88.40528	0.5
91.03947	3.9
91.05470	100.0
92.05804	0.7
92.66383	0.5
93.07056	0.9
95.04940	0.9
95.08592	0.7
97.02882	19.7
98.23407	1.2
99.04470	2.9
105.04562	0.7
105.07050	0.5
107.04938	15.2
109.02862	4.7
109.10175	0.8
115.03898	3.4
127.03915	14.4
133.04974	0.8
145.04942	27.4
145.08574	2.7
145.10091	0.5
151.03860	0.7
154.86060	0.6
163.03899	0.7
163.06021	7.3
195.54855	0.6
229.08595	1.8
259.09802	0.6
278.00397	0.5
373.12869	1.5
570.16998	0.8
570.25562	2.9
571.26563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71780	1.1
55.01851	1.8
57.03439	1.9
61.02923	1.6
64.55792	1.0
69.03417	3.2
79.05495	2.1
81.03413	2.4
81.07054	1.4
82.50633	1.3
83.04990	1.2
85.02883	11.5
86.09698	1.8
91.05476	6.5
93.07032	3.7
95.04967	2.6
95.08614	1.0
95.68230	1.2
97.02882	3.1
99.04475	1.3
103.05457	3.1
105.07015	4.9
107.04948	8.2
111.04424	1.5
115.03929	6.4
115.05463	1.3
117.07013	1.9
119.04926	2.6
119.08582	1.4
121.06496	7.2
123.04407	3.1
124.05244	1.4
126.80431	1.2
127.03889	1.8
128.06219	1.7
129.07002	10.7
131.04921	4.1
131.08554	4.4
133.06471	2.7
135.04395	1.6
135.08034	2.6
137.05957	8.1
141.06949	3.2
145.04942	3.2
145.06390	2.1
147.04396	1.6
147.08003	1.4
149.06017	2.2
151.03850	2.2
151.07550	5.8
152.04700	1.4
153.05453	4.7
157.06454	9.4
158.07224	2.0
159.04482	1.3
159.08041	2.7
161.05946	10.1
161.09651	4.4
163.03815	3.6
163.07532	9.0
163.11238	1.2
165.06976	1.3
165.09093	3.6
166.06258	3.0
167.07027	34.6
167.08450	2.2
173.05978	1.1
174.06671	6.4
175.07523	6.7
177.09088	5.4
179.07053	2.1
179.08516	2.0
180.08575	1.8
181.08572	37.2
181.10094	2.3
182.07214	1.3
184.87567	1.1
186.06732	1.6
189.09087	38.0
191.06923	2.2
191.08488	1.5
191.10625	1.5
193.06534	1.6
193.08490	2.1
195.08057	3.0
197.09613	4.2
201.09058	1.9
207.10187	4.1
210.06659	2.0
211.11043	1.4
211.16850	2.5
212.04865	1.2
212.55519	1.0
219.08144	2.3
219.10114	35.6
223.07516	3.5
223.11105	1.9
225.09074	7.7
236.08229	1.5
237.07460	1.5
239.07057	1.3
247.07295	1.5
251.07054	1.9
251.10617	2.1
253.08598	5.2
255.10124	3.3
257.11682	6.9
270.08908	2.3
273.71677	1.3
283.09656	3.6
283.13275	4.9
285.11118	10.6
296.10339	1.5
297.11212	1.4
300.09763	1.3
302.11734	1.7
305.13889	1.7
311.12704	2.4
315.12222	8.0
317.13812	12.1
329.13623	1.5
331.15338	3.4
343.15405	22.5
361.16397	100.0
362.16678	3.0
409.14099	1.3
570.25092	1.5
571.19574	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	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
57.03405	0.9
66.94398	0.4
69.03416	1.0
69.33923	1.3
69.34323	1.0
70.06583	1.3
82.31868	0.4
85.02893	1.9
86.09715	1.0
91.05478	0.9
93.47569	0.4
97.02888	0.5
98.23443	1.0
99.81892	0.4
115.03913	1.5
115.05466	1.0
120.08079	1.1
127.03868	0.6
128.06207	0.8
129.06987	7.3
131.04944	1.2
131.08562	6.0
133.04961	0.5
137.05983	1.4
141.06955	4.1
145.04881	0.6
145.06497	1.1
147.04416	0.5
157.06471	6.4
158.07275	2.8
159.08051	4.6
160.05208	0.6
161.05988	0.5
161.09613	0.7
167.07028	1.2
169.06438	2.6
170.07205	1.1
173.06013	0.6
174.05309	1.0
174.06743	12.1
175.07492	2.3
177.05460	1.5
186.06773	3.0
187.07570	0.5
188.08319	0.9
189.09087	23.6
190.09361	0.6
191.10670	1.7
201.05309	0.6
201.09081	8.1
207.10243	0.8
211.06894	1.7
219.10141	100.0
220.10435	2.9
237.11157	0.6
265.73502	0.5
278.14746	2.5
324.15250	1.4
409.18628	1.5
437.18433	0.7
455.19165	0.5
570.21820	9.8
571.22498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05519	0.5
66.04404	0.5
69.03418	2.0
72.12064	0.5
79.05482	1.9
81.03403	1.2
85.02898	6.1
90.64407	0.6
91.05472	3.7
93.07045	2.9
95.04967	2.0
97.02881	0.9
98.22668	1.9
99.04442	0.6
103.05464	1.7
105.07027	2.6
107.04951	7.4
111.04457	0.8
114.18730	0.6
115.03925	1.4
115.05439	0.5
117.07018	1.8
118.98980	0.5
119.04900	1.4
121.06505	4.4
123.04424	2.2
124.05221	1.0
125.05949	0.9
127.03896	1.5
128.06171	0.7
129.06998	5.8
131.04926	2.7
131.08565	2.5
133.03998	0.6
133.06471	1.3
135.04379	1.1
135.08015	1.7
135.99477	0.5
137.05986	5.2
141.64648	0.5
145.06462	2.2
146.07262	0.7
147.04379	1.3
147.08101	0.8
148.05194	0.8
149.05931	1.9
150.60152	0.6
151.03903	1.1
151.07516	5.7
152.04710	1.5
153.05466	3.7
157.06477	6.1
159.08069	1.3
161.05959	11.4
161.09557	3.6
163.07524	6.6
164.02623	0.8
165.09090	2.8
166.06255	2.9
167.07025	24.8
167.08463	1.3
174.06772	2.4
175.07521	4.7
177.09045	4.1
179.07089	0.8
179.08528	1.1
181.08580	27.4
182.07274	1.2
189.09093	21.4
189.10843	1.2
190.07840	0.7
191.07016	1.3
193.06651	0.6
193.08672	1.9
194.07245	0.7
195.08044	2.5
197.09610	1.5
205.06474	0.8
205.10246	0.7
207.08192	0.9
207.10182	4.8
208.08717	0.9
209.09569	0.9
210.06845	1.1
211.07558	0.8
219.08043	1.9
219.10095	1.3
219.36389	0.6
221.05896	1.4
223.07474	2.7
223.11145	1.6
225.09143	4.8
227.06955	0.9
229.12228	0.8
235.07472	1.1
236.08394	1.4
237.09035	0.7
239.07022	1.5
239.10612	0.9
240.07870	1.2
241.08591	1.0
247.07622	1.0
251.06996	1.9
251.10669	2.2
253.08565	4.2
255.06519	1.0
255.10170	2.3
257.11710	5.0
264.07642	0.7
265.08478	1.3
267.10043	1.1
269.08121	1.0
270.08908	1.8
271.13263	0.8
279.10144	2.0
283.09625	4.4
283.13199	3.4
285.11133	7.6
296.10358	1.0
297.11078	1.3
299.12799	0.8
300.10245	0.7
302.11456	0.8
305.13712	1.3
311.12720	2.3
315.12277	4.9
317.13818	8.7
318.14005	0.7
329.13788	1.4
331.15384	2.1
341.13892	0.9
343.15366	12.8
344.15991	0.8
361.16406	100.0
362.16693	5.6
373.16467	1.5
571.17377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.254
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55501	0.9
69.19064	4.6
70.84661	0.8
73.21391	0.7
77.60217	0.8
78.16405	0.8
79.05472	1.4
84.70294	0.7
85.02943	1.1
91.05473	2.1
93.06995	1.0
95.04950	1.2
103.05427	1.2
105.07019	9.3
107.04932	2.9
115.05444	2.2
117.07011	2.2
119.04918	1.6
121.06517	2.2
123.04424	1.9
123.08038	1.6
129.06970	1.2
131.04816	1.8
133.06468	7.1
137.05957	4.1
137.51750	0.7
145.06471	1.2
147.04428	1.0
147.08060	1.0
149.05930	1.0
151.03821	0.8
151.07520	6.8
153.05495	1.2
161.05968	11.2
162.06670	2.5
163.07547	1.3
165.09123	1.1
167.07033	13.2
167.08447	1.2
174.06741	1.2
175.07532	4.7
177.09084	100.0
178.09503	1.0
181.08620	5.7
189.09023	5.0
191.07042	1.5
193.08574	43.9
194.08907	1.8
195.10173	2.9
203.10608	1.2
205.04987	1.2
219.10260	0.8
221.09647	0.6
221.11682	15.6
235.83043	0.8
253.08533	0.9
255.10193	1.3
265.08206	1.1
283.09525	1.0
283.13309	0.9
285.11276	2.0
315.12070	1.5
317.13718	2.4
331.15424	0.9
341.13742	1.4
343.15326	2.5
361.16336	17.0
373.16306	2.2
571.26532	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	570.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01861	0.7
55.05513	0.9
57.03426	1.2
57.07041	0.4
57.77568	0.3
59.04976	0.4
61.02920	2.3
67.05489	0.7
69.03409	3.4
69.07056	3.3
69.19753	2.1
69.65088	0.4
71.04982	11.6
73.02926	0.4
79.05471	0.8
81.03416	1.9
81.07034	1.5
83.08624	0.4
85.02892	17.1
85.06528	1.9
87.04465	0.6
91.03924	0.7
91.05456	1.0
93.07024	2.6
95.04987	0.3
95.08588	4.8
97.02878	4.3
97.06504	1.5
97.10129	0.6
99.04436	38.4
99.08064	0.5
103.72900	0.3
105.07005	1.2
107.08568	4.5
109.02859	1.6
109.10146	3.2
111.11748	0.4
113.09623	4.2
115.03897	1.5
115.07562	1.9
119.08559	2.7
121.10133	1.1
123.08025	1.0
123.11717	1.9
125.09605	1.9
127.03890	4.0
129.12779	0.4
131.04898	0.4
133.10118	2.6
135.11678	13.9
137.09648	0.6
139.11165	1.3
141.09077	0.6
141.12723	1.6
145.04947	5.2
149.13216	0.9
150.91324	0.4
151.14757	2.0
153.12714	1.5
161.05983	0.4
163.05984	1.6
169.15851	0.5
175.14778	4.8
193.15854	4.7
211.16891	100.0
212.17152	2.5
277.09070	0.5
570.18384	0.5
571.23975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.1
57.07069	51.8
67.05480	5.4
69.07071	8.5
71.08622	48.8
73.06527	5.8
79.05470	5.4
81.07043	5.3
83.08590	3.7
85.10173	29.4
87.04440	3.9
89.06021	100.0
91.05463	5.7
93.07033	5.8
95.08607	3.3
97.10160	3.2
99.11714	5.2
105.07011	3.6
107.08576	3.0
109.38483	1.7
111.11710	1.9
113.13280	6.0
117.09113	4.2
119.08564	2.4
121.10152	2.0
125.13212	2.9
127.14785	3.2
131.07077	2.8
131.08501	3.5
133.08592	61.6
145.10184	1.9
177.11198	24.8
209.10085	1.7
221.13838	5.8
239.14828	2.3
247.34851	1.7
271.26233	4.3
283.17590	4.1
307.90759	1.7
315.28845	4.0
367.29544	2.1
371.22626	12.8
553.42773	7.1
570.42719	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	571.163
Annotation	Tenuiphenone B
Peak:m/z	Relative Intensity
51.89670	0.4
52.79128	0.4
55.01861	0.9
63.55651	0.4
69.03407	1.8
69.53574	1.5
71.04987	1.7
81.03416	1.5
85.02906	1.6
87.04459	1.0
94.41380	0.4
97.02885	2.6
98.03188	0.5
98.22730	0.8
99.04443	10.7
109.02900	1.1
115.03921	14.6
116.04256	3.5
117.05507	0.8
121.98788	0.4
127.03912	1.7
128.04395	0.5
133.04990	1.9
134.05179	0.4
145.04979	0.7
157.04700	0.4
163.03896	0.4
243.08592	0.8
259.08252	1.0
260.08517	0.9
261.09698	0.6
268.03787	0.4
277.09274	1.5
278.09573	0.7
299.07336	0.5
313.22440	0.4
317.08426	3.3
374.11575	0.5
409.10800	2.2
417.13196	0.4
445.13242	0.9
461.12561	2.7
571.16278	100.0
572.16687	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1996
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
55.16537	0.3
64.81754	0.3
70.06590	0.3
71.04971	0.3
71.45083	0.4
91.05486	0.4
98.72343	0.3
101.14194	0.3
103.60817	0.3
113.39292	0.4
113.88908	0.3
114.98919	0.3
119.04942	0.5
125.02118	0.5
130.64983	0.3
137.05919	2.2
145.08632	0.4
147.04407	0.7
149.05943	0.4
153.05241	0.7
161.06004	0.7
169.04709	0.8
175.03581	1.5
177.05408	0.5
179.07065	0.6
193.76057	0.3
201.05504	1.2
202.05852	0.8
203.07021	0.5
207.10306	0.4
213.07344	3.2
237.07355	0.6
255.08522	0.6
297.09091	0.5
307.09753	0.3
325.10876	0.3
341.12088	0.5
357.11377	4.1
373.35281	0.3
381.10977	0.4
399.12399	1.0
441.13840	1.0
450.07751	0.4
481.16605	0.8
511.17737	2.5
571.19843	100.0
572.20160	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.251
Annotation	Tiegusanin I
Peak:m/z	Relative Intensity
59.21766	0.5
62.82216	0.5
68.56300	0.5
69.20822	1.3
69.21222	2.0
86.88115	0.5
96.37041	0.5
98.22767	1.2
225.41766	0.5
269.29712	0.6
271.05853	1.0
329.26709	0.6
333.07944	2.2
335.09454	2.0
341.21469	0.5
349.05341	2.5
351.06778	1.9
377.90265	0.5
451.20627	0.6
571.25085	100.0
572.25562	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	571.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	1.5
71.18594	1.0
91.05492	1.1
107.08582	1.4
125.44569	1.0
135.07910	1.0
138.49828	1.0
145.06419	1.1
164.10376	1.1
203.64746	1.1
209.08089	1.6
213.05327	2.1
335.09482	2.6
336.64810	1.3
349.05191	5.0
571.24957	100.0
572.25165	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2721
Annotation	Phe Tyr Leu Glu
Peak:m/z	Relative Intensity
66.77843	0.2
69.24869	1.2
75.94643	0.2
76.14960	0.2
80.37112	0.2
94.20510	0.2
115.03964	0.4
131.04916	0.3
137.06001	0.3
151.03877	0.2
182.86864	0.2
261.24823	0.2
277.17810	0.6
297.53928	0.2
317.08432	1.1
319.73770	0.2
333.07657	0.3
335.09354	1.2
439.23074	2.1
487.21387	0.9
553.26099	0.4
571.27167	100.0
572.27527	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	571.2723
Annotation	Phe Tyr Leu Glu
Peak:m/z	Relative Intensity
69.91816	0.7
70.06565	0.2
75.73711	0.2
75.78790	0.2
81.07037	0.2
81.76858	0.2
93.07035	0.3
95.04892	0.3
98.22821	0.4
105.23495	0.2
107.08517	0.3
112.78848	0.3
129.06358	0.2
137.05966	0.4
140.16367	0.2
155.03098	0.5
159.94377	0.2
175.59789	0.2
203.05270	1.7
230.67915	0.2
245.06078	0.5
261.18161	1.4
271.06067	0.3
275.07385	1.9
333.07864	10.9
334.08170	0.3
335.09421	38.1
336.09775	0.7
439.23038	0.2
513.22919	0.6
571.27161	100.0
572.27466	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	571.272
Annotation	Phe Tyr Leu Glu
Peak:m/z	Relative Intensity
71.75452	0.6
88.70482	0.5
88.86743	0.5
91.05444	0.6
92.23888	0.5
93.07032	0.6
103.05413	0.5
105.07052	0.5
115.03931	0.5
131.04955	0.6
137.06023	1.8
161.05936	0.9
196.05681	0.5
275.07376	0.5
290.62952	0.6
333.07898	4.5
335.09384	6.9
409.22119	1.0
439.22961	2.4
571.27161	100.0
572.27496	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	571.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
70.06595	1.0
78.18639	0.7
80.12574	0.6
83.59741	0.6
86.09695	0.7
89.12850	0.6
95.04972	0.7
115.03958	1.3
137.05962	1.9
151.03862	0.7
151.07513	0.8
163.03987	1.0
167.07066	2.1
201.03699	0.9
203.05310	1.9
220.10651	1.0
220.13371	0.6
223.09631	0.7
255.66371	0.7
271.18683	0.7
275.07462	1.8
289.72614	0.6
299.95587	0.8
333.07889	14.8
335.09445	31.9
409.09177	0.9
409.21786	3.1
571.27203	100.0
572.27698	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2724
Annotation	Phe Tyr Leu Glu
Peak:m/z	Relative Intensity
55.05518	0.5
70.06595	1.0
78.18639	0.7
80.12574	0.6
83.59741	0.6
86.09695	0.7
89.12850	0.6
95.04972	0.7
115.03958	1.3
137.05962	1.9
151.03862	0.7
151.07513	0.8
163.03987	1.0
167.07066	2.1
201.03699	0.9
203.05310	1.9
220.10651	1.0
220.13371	0.6
223.09631	0.7
255.66371	0.7
271.18683	0.7
275.07462	1.8
289.72614	0.6
299.95587	0.8
333.07889	14.8
335.09445	31.9
409.09177	0.9
409.21786	3.1
571.27203	100.0
572.27698	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	572.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32877	0.2
53.03930	0.8
54.56456	0.3
55.01857	0.5
61.02890	0.4
69.03419	3.6
71.04980	15.4
71.06900	0.3
74.84632	0.3
78.87250	0.3
80.27676	0.3
81.03402	4.7
85.02896	3.3
87.04459	1.2
97.02882	5.0
99.04436	100.0
99.32728	0.3
100.04768	1.0
109.02858	3.7
115.03907	20.1
116.04232	0.7
117.04266	0.4
117.04594	0.5
117.05466	9.6
127.03893	4.6
130.49915	0.3
133.04962	2.1
135.01201	0.2
145.04932	1.7
151.03831	0.3
169.04799	0.3
171.06508	1.0
185.51326	0.3
201.07558	0.7
213.07587	0.9
223.06004	0.4
225.07593	0.9
231.08679	0.9
241.06970	1.1
243.08588	6.3
259.08057	2.6
261.09637	5.6
277.09201	2.0
285.09482	1.3
301.09137	0.7
357.11774	1.1
375.12460	0.3
483.14716	0.3
501.15771	0.5
519.17090	0.4
562.82764	0.3
572.08295	0.5
572.16553	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	572.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48299	1.2
55.01879	1.3
69.03407	2.7
69.14854	2.4
69.15260	4.9
72.08138	1.8
79.05486	2.5
85.02905	5.1
86.09718	1.9
91.05471	8.9
93.07069	1.8
95.04970	1.7
97.02859	1.8
103.05479	4.8
105.07021	6.4
107.04969	4.1
109.02824	1.5
115.05413	2.1
117.05494	4.5
119.04918	8.2
121.06492	6.6
122.03677	2.6
125.05998	1.2
127.03941	1.5
131.04938	6.9
132.24121	1.2
133.06473	5.6
135.04417	2.9
135.08105	1.5
135.93907	1.2
137.05969	49.9
139.46478	1.2
145.04982	1.4
147.04387	11.4
147.07933	1.6
149.05972	22.3
150.06749	1.7
151.07475	3.1
153.05464	4.4
161.05963	100.0
162.06703	9.1
163.07561	5.7
165.06970	2.5
175.07526	8.5
177.05521	2.8
179.07045	6.9
188.04686	2.5
191.07010	4.7
193.06422	3.6
195.06516	6.3
203.07018	60.3
205.08537	2.5
207.08128	2.5
210.06773	2.3
221.05978	9.4
221.08098	36.7
225.09102	7.5
233.05908	2.2
233.08044	13.5
235.07631	1.6
237.09026	1.5
238.06322	2.5
249.09152	1.6
253.08598	18.0
265.08557	5.1
266.09286	1.4
267.10159	8.6
270.08987	2.1
277.08505	3.2
285.11182	58.2
286.11655	1.7
289.57059	1.3
295.09659	5.5
297.11142	13.1
305.96396	1.3
307.09744	2.2
309.11060	6.5
325.10739	10.5
327.12231	73.0
328.12668	4.2
339.12387	8.5
345.13293	43.6
357.13367	6.9
371.58920	1.4
572.19635	2.1
572.27686	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	572.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33260	1.2
55.01876	2.3
59.17896	1.2
67.64146	1.2
68.99900	1.1
69.03424	1.6
70.06606	1.8
71.40994	1.3
74.82098	1.2
79.05476	2.0
79.97598	1.3
85.02899	4.1
86.09715	2.3
91.05481	9.6
93.07043	2.1
94.44692	1.2
95.04981	1.6
97.02958	1.5
102.04746	1.4
103.05450	6.4
103.64555	1.4
105.07011	6.6
107.04946	5.3
109.06487	1.4
111.04420	2.3
115.05440	1.6
119.04931	7.5
121.06503	8.4
122.03574	2.6
130.04128	2.3
131.04912	9.5
133.02905	1.4
133.06490	7.4
134.19794	1.3
137.05963	48.5
137.06999	2.7
147.04381	10.0
149.05969	24.0
150.06688	1.7
151.04079	1.4
151.06337	1.6
151.07524	3.5
153.05452	5.4
161.05965	100.0
162.06741	9.3
163.07524	6.4
165.07043	1.9
167.07053	1.9
169.84950	1.1
174.06766	1.5
175.07535	9.4
177.05421	2.6
179.07062	6.0
187.07568	1.3
188.04695	2.5
191.07034	4.5
193.06523	2.4
194.07315	1.6
195.06544	6.2
203.07031	50.1
205.08662	2.1
207.08208	1.5
209.08055	1.7
210.06750	3.2
211.07343	2.0
215.07036	2.5
221.05994	6.5
221.08031	33.2
222.06593	1.3
224.08229	2.4
225.09041	9.3
233.08044	11.8
235.07530	1.3
237.09048	1.6
238.06140	2.1
249.08994	1.7
250.06381	1.4
253.08577	15.2
265.08615	5.5
267.10144	6.8
270.08914	2.5
277.08615	3.8
285.11185	49.3
292.07651	1.3
295.09650	3.7
297.11200	11.1
307.09717	1.6
309.11099	8.0
311.12799	1.5
325.10712	9.1
327.12238	71.6
328.12750	3.5
339.12173	6.5
345.13300	36.7
357.13263	7.2
500.93668	1.2
558.87323	1.3
572.23865	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	572.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95882	1.6
55.01866	2.0
69.03408	3.7
70.06586	9.3
81.03413	5.5
81.99940	1.5
85.02901	3.6
86.09702	2.4
91.05468	5.2
97.02890	6.0
99.04473	1.9
103.05457	2.9
105.07017	4.5
107.04955	3.1
109.02865	2.8
111.04331	2.6
115.03873	2.1
117.03336	2.8
119.04947	4.9
121.06452	2.8
122.03631	3.2
123.04483	2.2
127.03896	6.2
131.04907	5.7
133.06496	2.5
135.04430	2.0
137.05962	100.0
138.06355	3.0
145.02856	10.9
147.04396	7.3
149.05994	5.6
151.03931	3.8
151.07509	8.3
161.05968	34.1
162.06761	3.3
163.07549	7.5
167.07100	4.8
169.06447	2.1
175.07533	8.6
177.05424	16.8
179.07011	64.8
181.08534	1.8
187.07437	2.4
191.06993	7.3
193.06355	1.9
197.05995	2.2
199.77911	1.6
203.06998	47.7
209.08025	2.8
215.07016	7.1
221.05991	3.1
221.08038	4.2
225.09122	2.8
229.08586	6.8
233.08115	5.9
239.08902	2.4
245.08202	4.6
253.08536	4.7
257.08035	10.6
263.09134	2.1
265.08795	4.2
267.10172	3.1
267.68555	2.0
275.09103	4.9
283.09293	2.0
285.11185	8.4
287.09021	2.6
297.11285	5.3
305.10205	4.8
309.11115	3.2
323.11319	7.4
325.10666	2.2
327.12259	14.5
339.12158	2.3
351.12381	2.1
365.11807	2.3
453.15247	4.5
471.16364	6.1
489.17468	4.8
509.17883	1.9
572.24249	9.2
573.25482	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	572.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15872	2.0
70.33724	2.7
80.29704	1.9
85.02921	3.5
89.28358	2.4
91.05481	6.3
93.07080	3.5
95.04962	4.1
107.04980	3.1
115.05450	3.1
121.06521	6.0
122.03702	2.2
129.07048	2.9
131.04918	4.1
133.06517	4.2
136.37314	1.9
137.05954	31.4
145.06529	2.6
147.04451	3.7
149.05902	4.0
151.07512	2.1
159.08093	5.8
161.06004	13.2
175.07494	10.3
177.05502	2.3
187.07544	14.6
199.07602	5.7
205.08583	3.5
217.08540	3.9
219.08078	2.9
228.20050	2.1
231.10130	2.8
247.07657	2.8
249.09042	2.8
265.86420	2.1
279.10095	4.1
309.11282	6.2
327.12140	14.2
333.07968	3.2
335.09412	3.5
336.09848	3.7
388.83487	2.6
468.97720	2.2
571.27246	2.6
572.27509	100.0
573.28876	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15812	5.2
61.71044	4.6
69.41183	14.2
69.41587	10.6
71.05000	10.5
79.18224	4.6
85.02925	9.9
89.56174	4.3
91.05479	25.1
95.04971	6.9
98.81734	5.5
103.05424	10.3
105.07048	9.5
107.04934	5.4
117.07013	5.2
119.04926	19.5
125.09616	5.3
131.04936	20.1
133.06525	10.5
137.05975	100.0
143.04915	5.3
143.10658	5.0
147.04402	13.6
147.08022	9.6
149.05962	8.6
151.03906	8.2
151.07489	5.5
158.93451	5.6
159.08020	10.1
161.05962	43.6
162.06735	9.0
175.07532	30.8
179.07056	8.0
187.07500	41.2
191.08798	5.2
199.07478	11.4
205.08640	18.5
216.07690	7.2
217.08636	19.7
235.09778	6.1
247.11678	5.3
249.08994	10.9
251.10802	7.2
277.08630	6.8
279.10211	7.1
285.11090	7.6
295.09912	8.0
296.09915	5.2
297.11084	7.3
309.11188	17.1
311.11935	5.5
314.89676	5.4
327.12250	42.6
335.09494	9.3
335.13022	6.7
340.13000	9.0
358.13855	5.7
359.94800	5.7
572.27557	57.2
573.19592	5.5
573.28253	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	572.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56234	0.5
53.03937	0.5
55.01865	1.2
55.05494	2.7
57.98793	0.9
58.99579	14.7
63.17246	0.5
67.05495	7.6
69.03413	0.8
69.07057	6.2
71.04977	1.0
72.75047	0.6
76.02217	67.4
76.03988	2.0
79.05481	6.2
81.07042	6.8
83.04958	1.9
83.06097	1.7
83.08580	0.7
84.04014	1.0
84.04492	15.1
85.02895	0.6
85.06534	0.7
86.99027	3.7
88.02206	1.4
91.05468	7.4
93.07034	6.6
95.04942	2.5
95.08586	5.8
97.06513	2.2
97.10204	0.5
99.08073	0.5
102.05510	1.1
105.07017	6.5
107.04920	2.3
107.08572	4.7
108.08118	0.7
109.06496	2.3
109.10124	2.3
111.08050	0.7
114.03758	0.8
115.05374	0.6
116.01663	20.7
117.06972	3.0
119.05009	0.6
119.08569	4.5
121.06467	2.2
121.10117	3.7
123.08027	1.3
123.11677	1.5
124.02179	0.7
129.06734	2.1
130.05000	5.3
131.08549	5.6
133.06430	0.8
133.10129	6.3
134.01784	0.5
135.08026	2.2
135.11700	2.6
135.59869	0.5
137.09590	1.5
141.04816	0.9
141.07143	0.5
142.03203	5.9
143.08525	2.2
144.01125	12.3
145.06166	1.0
145.10106	7.9
146.02600	0.6
147.04375	0.7
147.08034	2.1
147.11678	1.5
149.09581	4.8
151.11198	4.1
157.10110	1.3
159.08038	0.9
159.11673	2.8
161.09598	1.8
161.13159	1.1
162.02179	39.6
162.21393	0.6
163.03722	0.7
163.11157	6.9
169.10114	1.1
170.02681	2.2
173.09644	2.6
173.13248	0.9
175.11122	1.4
175.14832	0.8
177.16370	1.1
179.04828	100.0
179.10544	2.9
180.05219	1.1
183.11652	1.1
185.13237	1.0
187.05331	2.8
187.11230	1.5
187.14842	1.0
191.10675	1.7
199.07091	0.8
199.14786	0.8
201.16344	3.5
203.14368	0.6
209.11681	1.3
211.14711	0.9
215.04765	2.3
216.03232	0.6
219.17406	6.1
222.72710	0.6
227.14302	1.0
229.15894	3.1
233.05869	12.6
245.05865	2.4
245.15273	1.1
247.16898	10.9
263.16373	5.7
265.17966	31.9
266.18494	0.7
290.08017	1.1
291.06387	2.1
308.09073	23.2
322.18112	0.9
323.16733	1.0
340.19324	9.7
341.19553	0.7
350.17899	1.2
425.20984	5.7
426.19919	0.6
443.22015	1.0
497.23083	3.7
516.67725	0.7
554.25189	1.6
572.24750	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	572.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	11.5
53.30523	3.2
55.01859	9.8
55.05499	31.6
57.03413	10.1
57.07072	19.5
65.03914	3.8
67.05492	92.3
69.03414	41.4
69.07049	27.6
69.28825	18.2
71.04964	10.7
71.08614	21.4
73.02876	3.7
73.06532	5.7
77.56400	3.3
79.05475	72.8
81.02953	6.2
81.03403	78.6
81.07040	100.0
83.04952	10.3
83.08604	19.9
85.02879	32.1
85.06501	3.6
85.10169	13.9
87.04441	9.8
89.06013	58.7
91.05460	59.2
93.07030	90.4
95.04960	17.5
95.08592	75.2
97.02876	40.2
97.06500	4.9
97.10151	8.0
98.22765	7.0
99.04419	11.3
99.08050	3.9
101.77958	3.5
105.04473	4.6
105.07017	50.5
107.04892	9.1
107.08582	56.7
108.04388	3.6
109.02857	22.8
109.06500	9.2
109.10139	29.3
111.04407	6.2
111.08053	5.3
115.03893	11.4
117.07014	24.3
119.08571	35.4
121.06445	3.0
121.10122	39.4
123.04352	3.9
123.08038	10.4
123.11661	10.7
126.05471	4.2
127.03907	17.3
129.05537	4.3
129.06970	13.4
131.08536	39.6
133.08578	29.4
133.10095	25.2
134.30566	3.5
135.08009	6.0
135.11667	30.6
137.09480	3.1
137.13203	5.2
141.06943	4.2
143.08517	14.4
145.04977	5.8
145.06471	3.7
145.10138	31.3
147.08011	6.6
147.11650	27.2
148.03944	8.8
149.05939	5.4
149.09566	7.6
149.13228	18.0
155.08517	10.7
157.10132	12.9
159.11624	23.9
161.09496	3.6
161.13223	14.1
163.11128	3.6
163.14799	9.3
165.06866	4.8
167.08492	3.6
169.10040	4.0
171.11659	13.7
173.09584	4.6
173.13248	14.0
175.11160	4.4
175.14793	5.4
177.11180	12.5
177.12669	6.6
179.14201	11.9
181.10114	5.1
183.11691	6.8
185.13272	8.1
185.18994	5.9
187.11125	4.7
187.14845	6.6
189.12631	5.3
191.14348	7.2
195.11617	4.3
197.13167	7.2
199.11153	4.0
199.14766	7.3
211.14737	4.4
213.16257	3.6
221.13075	3.4
223.14725	3.8
225.12883	4.5
225.16180	4.3
229.21422	4.7
231.13821	4.3
233.15237	3.5
235.13258	5.3
243.21094	8.0
259.20557	7.8
261.22089	32.4
273.24530	4.3
277.21588	6.9
285.21765	7.2
289.21457	8.0
291.23026	6.7
294.86270	3.9
301.21475	5.8
303.23178	17.5
315.23138	10.1
319.22617	4.6
327.23181	6.9
333.27771	13.9
341.24710	6.7
351.23093	8.1
369.24164	31.2
387.25269	30.3
405.26215	22.8
406.58600	3.5
419.87164	3.6
423.27036	5.6
425.32434	35.5
485.00458	3.9
539.42029	4.0
555.40350	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	572.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
53.49477	2.7
53.52667	2.7
54.25671	2.6
55.01865	6.1
55.05508	19.3
56.44885	2.6
57.03433	4.4
57.07057	5.4
59.04995	3.5
64.74821	2.3
65.03924	4.3
67.05496	100.0
69.03423	16.3
69.07050	14.7
69.22073	15.2
69.22469	5.4
71.04990	4.1
71.08624	3.2
79.05479	36.2
81.03411	14.7
81.07041	55.8
83.04957	3.7
83.08595	10.3
85.02876	4.1
85.06522	3.7
87.04452	4.0
87.48634	2.7
91.05461	36.5
93.07033	48.1
95.04955	11.1
95.08592	45.5
97.02879	20.1
97.06469	3.6
97.10152	3.6
99.08108	2.7
102.76148	2.9
105.06990	18.7
107.04942	3.0
107.08576	27.4
109.02877	8.1
109.10135	57.5
111.08060	4.9
115.03915	44.9
117.06989	11.9
119.08582	20.4
121.10118	22.6
123.08064	3.1
123.11671	7.8
127.03888	5.0
129.07016	7.0
131.08542	17.5
133.10100	16.5
135.11664	18.7
137.09604	3.6
143.08519	7.0
145.10089	14.7
147.07959	2.6
147.11699	12.6
149.09543	3.6
149.13210	6.3
155.08553	3.4
157.10127	4.0
159.11685	11.9
161.13269	5.6
163.14871	5.6
173.11717	9.9
173.13232	9.3
175.11200	3.5
175.14815	4.0
181.10162	3.7
183.11620	4.1
185.09608	3.4
185.13280	3.7
187.14729	3.8
197.13297	3.4
199.14804	3.6
210.90991	2.7
243.21086	7.7
251.94089	2.6
259.20630	8.0
261.22104	21.6
273.22116	5.3
313.27185	7.0
315.23099	4.3
339.23123	5.9
351.23151	7.0
357.24191	8.3
369.24106	9.9
375.25162	11.7
383.24243	66.2
483.27188	7.4
501.28476	7.2
519.29260	4.0
526.03131	2.8
532.43567	2.9
572.21368	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	572.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31455	3.1
53.03938	7.4
55.01864	6.5
55.05511	25.8
57.03418	4.6
57.07072	5.7
67.05496	100.0
69.03420	18.5
69.07051	20.8
71.04980	7.9
77.03928	4.2
79.05479	57.8
81.03407	20.2
81.07050	76.8
83.04967	6.0
83.08614	8.5
84.04076	2.6
84.04484	17.7
85.02914	5.4
85.06531	3.1
87.04445	6.1
91.05462	44.9
93.07037	74.4
95.04960	12.7
95.08594	57.4
97.02876	31.8
97.06523	5.3
97.10162	5.4
99.04452	5.8
99.08109	3.8
105.04509	3.7
105.07024	24.2
107.04905	3.6
107.08566	34.5
108.04460	4.8
109.02883	11.4
109.06467	3.3
109.10142	51.1
111.04427	4.8
115.03918	64.2
117.06997	19.0
119.08559	29.7
121.06466	4.0
121.10146	35.9
122.20309	3.3
123.08102	3.9
123.11709	12.5
127.03915	10.4
129.07014	4.1
131.08542	22.2
133.06525	4.8
133.10118	20.3
135.11684	26.8
137.09601	3.4
141.06950	3.1
143.08574	9.7
144.06512	16.2
145.10071	20.2
147.11684	13.8
149.09686	3.8
149.13257	16.1
155.08533	6.9
157.10104	5.1
159.08034	3.0
159.11665	14.1
161.13248	8.8
163.14787	6.3
169.10052	3.9
171.11688	6.0
173.09508	4.9
173.11888	3.5
173.13252	13.5
177.12767	3.2
181.10149	5.3
185.13196	7.9
187.06036	3.9
187.11224	4.4
187.14798	8.3
195.11858	4.8
199.14777	6.9
201.16315	4.1
211.14896	3.4
214.78238	2.6
225.16377	4.0
243.21083	10.0
259.20554	7.2
261.22116	37.6
303.23151	4.3
315.23157	3.2
339.23080	7.6
351.23206	5.1
357.24445	14.3
369.24231	12.7
375.25232	16.4
383.24356	26.2
386.27716	3.2
387.25027	5.6
430.19577	3.4
430.25500	3.5
478.74017	3.7
483.27069	8.6
501.28625	7.1
519.29694	6.7
572.22113	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94864	1.1
55.05511	2.4
57.06779	1.3
57.07069	26.5
67.43150	1.1
69.07059	1.3
69.99866	1.8
70.00187	2.4
71.08624	22.6
73.06558	8.3
75.79398	1.1
81.07053	1.3
83.08607	2.7
85.10178	24.2
87.04474	6.4
89.06026	100.0
99.11743	2.9
99.16943	1.2
104.19938	1.2
107.07029	1.8
109.10156	1.2
117.09120	7.1
131.06989	2.4
133.07588	2.4
133.08598	49.7
141.16388	5.9
161.11749	1.8
162.45039	1.5
177.11220	17.4
185.18990	5.8
205.04944	2.2
221.13875	2.5
229.21584	8.5
239.14935	1.7
245.08124	1.4
251.66518	1.3
273.24210	4.6
283.17462	1.2
415.25366	2.3
555.40796	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	573.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06571	1.4
70.92932	1.6
72.08150	1.3
72.75267	1.0
79.05483	1.5
85.02924	1.0
86.09660	1.4
89.06009	1.2
123.04393	1.4
135.08838	1.0
137.06013	1.9
141.84053	1.0
151.03876	1.3
167.07043	3.2
168.32739	1.1
175.07533	1.7
181.86008	1.3
187.07507	2.7
211.07233	1.9
362.16776	2.1
363.16833	1.3
364.17429	2.7
411.23380	6.5
572.33813	1.9
573.19293	100.0
573.27985	16.7
574.19769	6.7
574.27747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1939
Annotation	Roritoxin C
Peak:m/z	Relative Intensity
70.06609	0.3
84.08142	0.5
86.09707	0.3
92.10063	0.3
93.57809	0.3
119.08611	0.3
133.06482	0.3
137.05991	0.4
167.07054	1.1
185.04242	0.7
187.07602	0.3
190.41022	0.3
211.07262	0.5
237.47212	0.3
274.34857	0.3
309.09396	0.7
341.13785	0.4
411.14450	0.6
411.23828	0.7
530.56610	0.3
573.19318	100.0
574.19672	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	573.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65840	0.7
80.70393	0.7
98.22807	0.8
99.16214	0.8
137.05954	0.9
157.55992	0.7
177.63232	0.7
201.03828	0.9
263.19992	0.9
275.07236	1.2
286.49741	0.8
333.07864	29.1
334.08029	0.9
335.09433	22.2
430.59888	0.8
441.15265	1.1
573.20050	4.6
573.28668	100.0
574.28979	6.3
579.00421	0.8
588.30817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02687	0.3
59.63596	0.2
69.16193	1.1
69.16599	0.5
78.46113	0.3
98.23446	0.4
126.26624	0.3
153.61497	0.3
155.03168	0.3
203.05287	2.1
205.35143	0.3
275.07324	2.3
317.08401	0.3
335.09430	31.7
336.09775	0.6
392.02878	0.3
397.16110	0.4
441.24603	2.2
573.28729	100.0
574.29047	5.0
574.38025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3029
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.38301	2.1
53.65897	2.3
55.05486	2.4
57.03436	5.0
57.07068	30.7
67.05495	10.4
69.07050	6.1
69.64578	5.5
69.64957	4.8
70.06578	2.4
71.08620	19.4
72.45760	1.9
73.72018	2.0
79.05489	2.3
81.03407	4.8
81.07056	12.2
83.08605	6.7
85.10170	8.8
88.07622	5.3
89.06013	2.9
90.62540	2.5
95.08575	14.7
97.06482	2.2
97.10182	3.0
98.98445	31.6
102.09158	3.3
109.02876	3.3
109.10149	8.9
131.03909	2.7
132.63251	2.0
141.22281	2.2
155.01028	25.2
163.32819	2.3
177.28030	1.9
201.64433	2.6
205.04996	4.1
239.23601	4.7
247.73132	2.2
256.26273	31.9
256.28461	2.8
299.94666	2.5
313.27313	100.0
314.27676	4.7
317.06250	2.5
335.07205	3.1
346.91968	2.8
393.23914	4.1
401.28830	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	573.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02539	4.6
55.05502	51.5
57.07067	25.3
67.05499	52.4
69.06704	8.0
69.07059	88.0
70.57967	7.3
71.04993	7.3
71.08608	14.3
78.04731	4.3
79.05479	24.8
81.07039	80.4
83.04957	6.1
83.08606	70.6
85.06502	5.8
85.10154	6.1
87.04455	27.9
91.05469	20.8
93.07027	43.2
95.08591	100.0
97.06523	13.1
97.10151	62.8
99.08048	8.6
105.07023	28.6
107.08581	20.1
109.10139	35.1
111.08098	7.1
111.11697	27.4
113.09660	6.1
119.08575	28.8
121.06511	6.2
121.10127	49.5
123.11694	18.1
125.09717	7.3
125.13241	9.7
129.09126	6.3
133.10106	30.6
135.11681	40.8
137.09555	10.2
137.13239	13.4
139.11185	10.8
147.11674	21.0
149.13287	7.9
151.11098	9.6
151.14818	12.1
153.12724	11.2
157.12186	7.6
159.11685	5.9
161.13234	17.3
165.12747	11.3
171.13751	9.0
175.14818	10.4
179.14253	11.0
193.19510	6.6
217.19466	69.7
217.21384	6.0
235.20517	87.0
253.21581	87.1
256.26367	8.3
267.23135	5.8
271.22647	22.9
273.09161	4.9
285.24152	51.1
289.55118	5.1
300.28915	16.2
313.27280	6.9
573.34515	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	574.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
51.02385	0.2
53.81067	0.1
56.96545	0.3
59.91016	0.2
69.03416	0.4
69.75074	0.4
69.75427	0.3
70.48670	0.2
71.82201	0.2
77.03927	0.2
79.05471	0.6
81.25445	0.2
85.02907	0.3
87.04477	0.2
91.05465	0.3
93.07030	1.4
95.04952	0.4
97.02868	0.5
98.22736	0.3
98.97538	0.9
103.05447	7.0
105.04483	0.2
107.04932	1.7
115.03910	4.4
116.98636	0.3
120.08083	100.0
121.08430	1.5
127.03854	0.2
131.04897	2.3
133.04941	1.1
145.04935	0.2
149.05931	1.6
158.99564	0.4
166.08606	48.1
167.08914	0.8
177.00659	0.3
219.01698	0.2
237.02744	0.3
259.08066	0.4
277.09061	0.9
410.58691	0.2
413.10461	0.9
427.15680	0.2
514.11829	0.5
575.15729	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	574.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05611	4.1
70.62326	7.0
79.05497	4.3
91.05470	16.4
95.04950	7.6
103.05397	6.2
105.06989	5.0
107.04928	10.7
119.04929	12.4
121.06469	7.4
122.03635	6.9
127.09756	4.1
129.06984	11.1
131.04977	6.0
135.08081	4.5
137.05951	100.0
145.06439	6.9
147.04356	7.8
149.05957	9.7
151.03938	5.5
151.07544	47.8
161.05959	73.1
161.09598	18.1
163.07584	7.7
165.05341	4.7
167.08646	5.1
174.06763	8.0
175.07509	21.5
178.04942	8.9
179.07141	5.8
187.07504	6.9
189.09068	49.4
193.06503	5.7
195.08148	8.0
195.10123	8.4
206.04410	10.7
207.10123	80.2
219.08141	10.0
219.10175	27.3
221.05902	7.1
227.10675	6.9
237.09047	8.4
239.06941	4.8
245.11992	4.4
247.07352	5.6
253.08495	11.7
253.12238	6.5
255.10165	8.5
265.08508	15.4
267.10104	5.8
270.09042	5.8
277.08560	8.6
277.11810	4.1
278.09448	5.7
279.10052	10.6
281.08066	5.6
283.09570	5.8
285.11200	15.0
287.12680	9.9
297.11081	20.6
298.11926	4.7
309.11075	5.7
311.12677	14.1
313.14246	13.7
315.12192	4.8
327.12152	5.1
329.13727	35.6
331.15402	30.6
337.14310	8.5
340.13382	4.7
341.13989	6.9
355.15375	16.2
367.15683	6.2
461.19250	5.9
479.20557	13.2
574.28723	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	4.3
61.40850	4.9
63.51764	3.9
67.05517	4.4
69.03416	4.4
70.06572	10.2
81.07033	6.1
86.09689	7.5
91.05458	21.5
93.07024	7.9
95.04958	8.0
97.06452	5.0
102.13200	4.3
105.07012	10.9
107.04937	12.0
116.51798	4.6
119.04927	10.3
121.06506	7.4
123.04350	4.7
127.40408	4.2
128.06212	5.8
129.06978	9.7
131.04881	5.3
131.08510	4.3
135.08066	5.8
137.05965	84.2
147.04401	13.4
147.07991	4.1
148.05096	4.9
149.05981	7.6
151.07552	33.7
157.06531	5.2
161.05946	100.0
161.09599	22.0
163.07489	12.2
165.06963	5.5
175.07494	21.0
178.04984	14.0
188.82529	4.3
189.09074	51.1
195.08076	6.0
195.10176	10.2
206.04457	25.6
207.10117	79.1
211.07631	4.3
219.08064	9.5
219.10162	29.2
221.05981	8.7
223.07655	4.7
225.09016	8.0
227.10602	5.3
237.09058	8.3
241.08714	4.3
248.08357	4.5
253.08504	13.7
261.09045	4.9
265.08499	14.9
267.10107	4.9
273.11203	4.3
277.08502	7.4
279.10150	12.8
283.09741	5.4
285.11197	11.4
297.11206	41.6
310.11761	5.2
311.12723	10.6
313.14041	6.3
315.12137	8.2
329.13812	29.3
331.15228	13.7
337.13962	9.0
355.15421	23.8
367.15375	5.9
479.20618	19.7
573.32233	5.6
574.25574	17.3
574.32520	18.9
575.28864	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	575.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36610	0.3
62.81693	0.3
69.40051	1.3
126.01257	0.3
133.87119	0.3
163.72523	0.3
208.20032	0.4
299.07263	0.5
312.21539	0.3
317.08337	1.5
325.16907	0.3
359.08011	0.4
413.10446	8.2
461.12686	0.9
575.15778	100.0
576.16132	5.8
588.02838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1574
Annotation	Fisetinidol-(4alpha->6')-peltogynan-4alpha-ol
Peak:m/z	Relative Intensity
50.08266	0.3
52.46331	0.3
53.35138	0.3
69.39994	1.6
72.08014	0.3
79.31577	0.3
80.39497	0.3
96.94717	0.3
97.94894	0.3
110.00060	0.3
131.39137	0.3
215.11043	0.4
272.93298	0.3
287.05829	0.3
317.07834	1.1
413.10510	8.8
445.48605	0.4
461.12643	0.7
575.15753	100.0
576.16034	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	575.1729
Annotation	Pabularin C
Peak:m/z	Relative Intensity
61.02923	0.4
67.05474	0.4
69.03419	0.8
70.06586	1.2
81.03412	0.4
81.07043	0.4
82.07285	0.3
82.21807	0.3
84.04494	0.4
85.02888	0.9
86.09718	0.4
91.05464	0.9
95.08606	0.4
97.02879	0.3
100.11248	0.6
107.04913	0.4
109.10129	0.4
117.44086	0.3
120.70177	0.3
135.58813	0.3
137.06010	0.4
145.10092	0.3
147.19051	0.3
153.68188	0.4
173.13216	0.4
185.35561	0.3
191.02226	0.3
200.98671	0.3
203.05295	1.0
210.14851	0.3
251.06812	1.2
259.07880	1.4
347.09433	11.8
413.11765	0.5
413.25378	0.5
574.28937	0.4
575.17255	100.0
576.17523	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	575.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21381	0.4
70.06590	0.8
71.42603	0.4
72.49744	0.4
78.26437	0.4
86.09698	0.6
99.04469	0.5
100.11268	0.4
118.80610	0.5
137.05923	0.5
173.06023	0.4
177.05435	0.4
191.07167	0.4
203.05272	1.2
220.69760	0.4
331.31580	0.4
333.24075	0.5
334.80026	0.5
351.24918	0.4
395.14600	0.7
413.15848	0.7
413.25140	1.0
424.87366	0.5
495.60141	0.4
513.30371	2.3
519.21906	0.4
560.19019	0.4
575.21021	100.0
575.29852	9.5
576.21295	5.8
576.29297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31073	0.3
59.03909	0.3
60.36392	0.3
66.65916	0.4
70.06560	0.5
71.41917	0.5
83.04960	0.3
121.02830	0.4
137.01312	0.4
137.06013	0.5
143.22803	0.4
159.04146	2.2
160.10153	0.3
161.01166	0.3
177.05438	0.5
185.04257	1.0
287.05600	0.4
300.10172	0.3
372.49838	0.4
382.14069	0.4
383.15027	0.4
394.14029	0.8
397.12698	0.8
412.14969	1.9
413.15701	6.3
448.08997	0.4
575.20996	100.0
576.20880	4.0
576.29083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2612
Annotation	Barbatin A
Peak:m/z	Relative Intensity
56.48753	3.2
65.25289	3.9
67.05500	8.7
67.66887	4.2
79.05459	6.0
81.07041	9.6
91.05474	4.3
93.07018	4.6
94.81160	3.5
95.08633	5.7
98.23441	7.4
165.40611	3.7
173.70236	3.7
230.06461	4.8
235.66124	4.2
269.13504	4.6
406.94318	3.7
575.26239	100.0
575.35010	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	576.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01865	7.4
56.05049	0.8
57.03428	15.3
58.43170	0.9
59.05003	1.3
61.02918	12.9
62.06078	1.6
69.03419	34.4
69.78374	1.6
69.78739	1.8
70.06588	1.5
71.01344	3.3
71.04975	2.8
73.02907	28.0
81.03410	8.2
84.04514	1.0
85.02895	100.0
85.06530	1.1
86.09705	1.7
87.04467	3.9
91.03937	4.6
95.91010	0.9
97.02879	58.4
98.22742	1.0
99.04436	5.0
103.03918	2.3
109.02888	9.0
115.03916	23.5
115.04702	1.6
127.03899	34.7
133.04022	0.6
133.04947	34.0
145.04941	51.9
150.07652	1.1
157.04854	0.9
162.07587	1.9
163.05997	25.4
180.08665	1.2
180.79466	0.8
193.04950	1.5
199.05980	2.1
217.07056	3.1
223.05920	6.2
230.65074	0.9
241.07025	7.6
259.08109	10.2
277.09131	4.2
285.61304	0.9
295.10162	8.2
325.11359	2.0
576.17047	4.8
576.31299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97367	1.3
53.03934	2.2
55.01841	1.4
57.83240	1.3
67.05493	10.4
69.03413	3.3
70.06580	2.2
72.08157	1.5
79.05472	2.7
81.03403	11.4
81.07043	5.7
83.04961	1.3
85.02888	1.9
90.12360	1.2
91.05461	12.9
93.07043	3.1
95.04967	4.2
95.08601	1.4
97.02897	1.6
105.03396	2.2
109.02853	8.1
109.06519	1.8
109.10134	20.8
112.08728	2.0
116.07073	1.7
119.04926	27.5
119.08558	2.3
122.03630	2.4
123.04403	3.2
123.08106	1.4
127.03914	2.2
133.90300	1.3
135.04498	1.9
137.05956	100.0
137.09589	45.2
137.10651	2.5
138.06244	1.8
147.04384	61.2
148.04761	1.4
149.05994	1.3
151.03902	2.1
151.07524	1.8
155.10677	2.4
157.08405	1.4
163.03894	2.7
165.05458	1.7
165.09085	48.1
179.07007	58.7
183.10115	3.9
197.08060	8.0
201.11188	5.9
201.98732	1.3
245.04387	2.0
291.12216	3.9
292.90137	1.4
299.05481	1.7
309.13248	26.9
327.14368	8.7
345.15305	1.9
425.08783	2.5
511.18240	1.4
576.20862	7.7
576.28522	5.6
577.19006	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	576.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05503	0.8
57.07067	72.6
58.07396	0.8
60.08155	1.4
61.93552	0.7
69.07040	1.6
69.87505	2.1
71.08612	2.1
71.63015	0.6
73.06543	1.5
77.03926	0.6
79.05482	0.9
81.07037	1.4
83.04978	1.0
85.10178	0.8
86.09703	4.5
87.04454	15.8
89.06018	100.0
90.06342	0.7
91.05470	7.6
93.07033	9.1
95.04948	4.6
95.08598	0.9
95.43360	0.6
97.10126	1.0
98.23460	0.9
103.05458	2.2
104.10728	24.4
105.04508	1.4
105.07011	2.3
107.04941	1.6
107.07073	2.3
107.08582	2.3
109.06519	1.6
109.10116	0.9
113.13244	1.6
115.05474	0.8
117.07027	1.8
117.09135	1.1
118.07784	5.1
119.04936	3.6
119.08588	4.9
121.06490	35.3
121.10144	1.5
123.08081	1.3
129.07001	1.0
130.08626	1.7
131.07057	5.7
133.08585	67.7
135.08020	3.6
135.11682	2.1
146.98166	2.4
147.08029	13.0
147.09138	1.0
149.09584	4.2
149.13219	0.8
150.06737	4.6
159.11722	1.7
161.56406	0.7
163.11163	2.6
165.09100	17.4
165.10417	1.3
167.10635	2.7
173.09579	0.7
174.66635	0.6
175.09671	2.9
176.99281	0.8
177.11206	24.2
177.12639	1.4
191.10603	3.6
193.12231	2.3
209.11694	9.2
211.13277	2.6
217.17029	0.8
221.13800	4.6
231.17603	0.8
233.18961	22.9
234.19302	0.9
235.13239	3.5
239.14806	1.0
253.14397	2.5
255.15985	2.3
259.20541	2.7
265.16443	1.0
271.15515	0.8
275.23584	1.1
277.21576	37.1
278.22110	1.4
279.16132	1.1
280.62912	0.8
283.17331	1.9
296.20084	0.8
297.16910	0.8
303.23123	1.3
308.51389	0.8
309.19040	0.7
313.27341	2.4
315.18063	2.4
321.24197	11.0
359.20767	3.3
365.26712	0.9
401.44739	0.7
403.23181	2.1
427.75616	1.1
447.25784	18.0
459.24695	8.3
468.98895	0.8
471.32764	1.6
489.09305	0.7
515.35809	1.6
518.32068	11.9
519.32257	0.9
559.38263	22.0
560.38782	1.1
576.41052	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	577.1334
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
53.03939	0.5
55.01859	0.9
65.03933	1.1
67.05489	2.8
68.99791	1.7
69.03413	3.9
69.67667	2.1
81.03368	0.5
83.04997	0.6
91.05451	1.0
95.04961	4.2
97.02885	2.0
98.22672	0.6
105.03360	1.1
105.06989	0.7
107.04940	3.3
111.04443	2.2
115.05482	1.5
119.04929	2.0
119.14778	0.6
121.02884	1.1
123.04413	79.1
124.04732	0.6
125.05963	3.1
133.02812	0.9
133.06468	0.6
135.04420	3.6
137.05952	0.7
137.15854	0.6
139.03885	9.6
147.04393	9.8
151.03882	78.4
152.04239	1.1
153.01833	0.8
153.05423	10.6
161.05959	3.0
163.03899	11.9
165.05464	9.0
171.04330	3.1
175.03856	1.0
179.03410	3.1
181.04927	41.1
187.03928	0.9
189.05446	19.9
199.03888	6.4
200.04492	0.6
201.05423	2.1
203.03403	1.4
205.04840	0.8
213.05428	2.1
215.03368	5.6
217.04929	27.5
227.03381	8.9
228.04005	1.0
229.04930	4.8
239.03346	1.2
241.04991	3.8
243.02855	2.6
245.04419	100.0
246.04794	3.2
247.06143	0.7
257.04379	4.1
269.04373	0.9
271.05991	1.6
275.08963	0.7
287.05515	2.4
325.10437	7.8
333.06955	0.7
361.06927	2.4
362.07251	0.6
363.08633	1.1
379.07916	3.2
385.07532	0.9
389.06482	1.0
397.09149	7.6
407.07620	2.2
409.09125	0.6
425.08609	88.2
426.09009	4.8
500.59097	0.8
559.12238	0.7
577.13123	44.8
578.13751	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	577.1547
Annotation	Chamaemeloside
Peak:m/z	Relative Intensity
56.78997	0.2
67.01772	0.4
67.61885	0.2
68.99697	0.2
69.59975	0.2
70.33021	0.5
81.03328	0.2
85.02821	0.5
91.05405	0.3
93.09492	0.2
96.96900	0.2
117.05459	2.3
119.04929	1.2
121.02737	0.6
145.02721	0.8
145.04840	0.3
153.01794	3.8
159.04073	0.2
163.03786	0.7
171.02759	0.6
202.06056	0.2
225.05341	0.3
243.06741	0.2
271.05963	100.0
272.03638	0.3
272.06308	2.7
315.19046	0.2
317.26855	0.2
433.11487	0.2
577.20691	8.4
577.40076	0.4
578.20557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1548
Annotation	Chamaemeloside
Peak:m/z	Relative Intensity
55.05488	0.1
56.94233	0.1
64.62354	0.1
67.01855	0.4
68.99804	0.3
69.03419	0.1
69.10783	0.7
72.19463	0.1
81.03396	0.2
84.76491	0.1
85.02886	0.5
91.05465	0.2
94.45441	0.1
97.02878	0.3
99.04446	0.4
99.98008	0.1
103.03944	0.4
107.01308	0.1
109.02860	0.4
119.04939	1.3
121.02828	0.6
127.03909	0.9
129.01805	0.2
137.06020	0.2
145.02841	0.9
145.04922	0.4
153.01813	4.1
156.75612	0.1
163.03867	0.4
171.02832	0.7
187.04132	0.1
187.05968	0.2
197.02077	0.1
203.06958	0.2
225.05449	0.4
229.05109	0.2
243.06441	0.3
271.05969	100.0
272.06302	2.6
272.09094	0.2
283.50876	0.1
297.43134	0.1
313.06985	0.2
433.11319	0.2
515.15027	0.3
541.13263	0.2
577.15179	1.3
577.21167	0.6
590.70380	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	577.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06994	3.9
98.22719	2.4
113.56590	1.5
187.03694	2.1
201.05235	4.1
217.04761	1.7
218.05495	2.8
290.44681	1.7
298.83841	1.6
301.06973	7.7
354.59390	1.5
367.07819	2.6
371.10590	2.4
382.05359	3.1
382.10196	46.4
383.10565	6.9
423.12494	1.7
471.57596	1.8
547.15472	4.3
577.16614	100.0
578.16785	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	577.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97727	0.3
61.79388	0.3
63.47124	0.3
70.06589	0.4
71.41269	0.3
71.99543	0.3
90.01006	0.3
116.23833	0.3
140.74179	0.3
148.82597	0.3
160.70448	0.3
167.18367	0.3
218.62659	0.4
283.07858	0.8
292.63309	0.3
317.08493	1.3
415.12064	3.5
457.13168	6.3
487.14230	3.5
517.15198	6.9
577.17291	100.0
578.17749	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	577.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	0.5
70.96960	0.4
72.08118	0.3
73.82343	0.3
216.07362	0.4
234.16887	0.3
283.08063	0.3
317.08408	1.1
369.11588	0.4
415.12076	3.3
457.13132	5.1
487.13992	2.8
517.15253	4.7
559.16400	1.5
577.17279	100.0
578.17645	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	577.1891
Annotation	Antibiotic MM 44785
Peak:m/z	Relative Intensity
52.76772	0.5
66.81065	0.5
70.06584	1.4
71.20531	0.5
71.20888	0.5
72.08135	0.7
84.04466	0.6
86.09712	0.7
102.06827	0.4
118.24451	0.5
125.19379	0.4
138.02853	0.5
139.08411	2.0
142.64098	0.5
159.04190	2.6
185.04202	1.5
199.07602	0.5
200.07976	0.8
219.06192	0.6
219.10045	0.5
220.01065	0.5
267.13150	0.6
269.66129	0.5
351.10504	0.6
365.08264	0.9
379.09833	0.9
380.10672	2.1
381.11218	0.5
447.16705	0.8
457.14081	0.6
496.42447	0.6
517.16138	1.2
559.17389	0.8
577.18634	100.0
578.19086	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	577.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91368	0.6
81.07049	0.6
88.88290	0.6
95.89294	0.5
115.80457	0.5
138.78474	0.6
139.59952	0.6
154.37152	0.5
154.80696	0.6
262.84317	0.5
320.00510	0.5
380.12268	1.8
529.17914	0.7
577.20367	100.0
578.20795	5.8
578.33667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66714	0.9
70.47549	0.8
71.41613	0.9
135.24255	0.9
150.06961	0.9
226.01903	1.0
226.39560	1.0
271.06046	7.6
277.24203	0.9
289.14502	1.1
347.08621	1.0
350.11200	1.2
442.13168	1.0
529.18298	1.4
547.19354	1.5
576.40759	13.0
577.20416	100.0
577.40460	9.6
578.20721	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	577.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66714	0.9
70.47549	0.8
71.41613	0.9
135.24255	0.9
150.06961	0.9
226.01903	1.0
226.39560	1.0
271.06046	7.6
277.24203	0.9
289.14502	1.1
347.08621	1.0
350.11200	1.2
442.13168	1.0
529.18298	1.4
547.19354	1.5
576.40759	13.0
577.20416	100.0
577.40460	9.6
578.20721	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	577.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14291	1.3
69.14694	1.1
100.11265	0.4
111.96116	0.4
131.86057	0.4
146.03377	0.4
152.19638	0.3
155.38089	0.4
159.04166	1.8
174.86345	0.4
187.03778	0.7
201.05179	1.9
215.06870	0.9
218.05550	0.4
270.24271	0.4
271.05853	0.5
341.10077	1.4
349.10403	1.3
351.12091	0.5
352.12839	1.3
364.12732	3.2
367.11658	1.3
380.12347	0.6
381.13147	0.9
382.13831	3.1
383.14307	0.7
445.03867	0.4
486.06302	0.4
529.17975	1.3
547.19318	15.4
559.19080	1.0
577.20367	100.0
578.20691	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	577.2769
Annotation	Scortechinone H
Peak:m/z	Relative Intensity
52.84323	3.6
53.87587	3.8
54.17540	3.4
55.05499	4.9
57.07063	3.7
67.05479	11.2
69.52213	11.5
70.06564	3.6
79.05468	10.3
81.07034	12.5
93.07004	7.7
94.91651	4.6
95.08548	9.2
105.07009	6.2
119.08522	5.4
121.10127	4.2
133.10117	8.6
179.50812	3.5
218.34096	4.3
577.27808	100.0
577.36725	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	577.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67993	0.4
67.05495	0.7
71.45634	0.6
72.09120	0.4
76.91988	0.5
77.31102	0.5
79.05473	0.4
81.07058	0.6
86.22974	0.4
87.65190	0.4
95.08601	0.5
131.98181	0.4
144.96677	0.5
209.34375	0.4
387.75751	0.5
457.23984	0.7
479.21408	0.9
557.08258	0.5
577.29706	100.0
578.30042	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	577.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76294	0.6
58.09806	0.6
67.05487	0.8
69.07082	0.7
74.47970	0.7
75.82426	0.6
91.62638	0.6
98.23482	1.7
105.07030	0.7
176.96729	0.6
202.88617	0.6
230.68834	0.6
365.98187	0.7
475.19788	0.7
517.27612	0.8
577.29730	100.0
578.30029	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	579.149
Annotation	Procyanidin B5
Peak:m/z	Relative Intensity
55.01862	2.1
58.04100	0.8
60.56641	0.8
65.03928	1.0
68.99779	7.4
70.82200	1.4
76.62164	0.8
77.03913	1.1
81.03403	2.7
83.05006	0.7
89.03901	0.9
91.05406	1.0
93.03413	1.1
95.04967	2.7
105.03386	1.4
107.04929	3.8
109.02862	3.7
111.00801	3.4
111.04418	3.4
117.03355	1.2
119.04949	1.9
121.02880	1.1
123.04414	56.5
124.04825	1.1
127.03899	100.0
131.04913	2.3
135.04404	32.7
137.02336	6.9
137.06017	1.2
139.03882	62.9
140.04254	1.0
143.04865	1.2
145.06493	1.6
147.04395	8.7
149.02347	5.0
149.05981	2.6
151.03885	11.5
153.06955	1.1
155.04855	1.0
157.06529	1.1
159.04417	3.4
161.05963	3.8
163.03880	36.5
165.05446	7.9
167.03412	7.9
169.06410	1.8
173.05981	3.1
175.03896	5.0
177.05391	5.7
179.03362	4.9
181.06491	1.0
183.04477	0.9
185.06071	1.6
187.03868	6.8
187.05286	1.1
189.05498	2.8
191.03378	16.2
193.04903	6.1
197.05963	3.2
201.05418	10.3
203.03384	12.1
203.07036	2.0
205.04953	3.4
207.06534	1.4
209.06053	0.9
213.05406	1.2
215.03363	1.7
215.07034	2.9
217.05014	2.5
225.05412	1.3
227.07181	1.2
229.04900	9.5
231.06535	1.8
233.04436	6.7
241.04945	2.6
243.06468	3.5
245.04419	7.8
247.05966	18.5
253.04834	1.5
255.06433	2.2
257.04395	13.3
258.05042	1.5
259.05969	9.1
269.04449	2.2
271.05939	16.7
272.06210	0.9
273.07507	1.3
275.03079	0.5
275.05475	18.6
283.05963	9.5
287.05447	24.1
289.07047	9.9
290.47083	0.9
291.08588	9.9
299.05569	4.3
301.07025	13.9
303.08517	3.0
319.33182	0.9
409.09122	18.9
410.09329	1.5
411.10767	1.8
421.08878	1.4
427.10068	3.0
427.16321	1.0
435.10614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.149
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
50.01596	0.7
51.02374	1.1
55.01866	1.4
55.39457	0.6
65.51141	0.7
66.92225	0.7
67.05495	1.3
68.99793	3.6
69.20656	3.0
69.21053	1.0
77.03905	1.8
79.05462	1.3
81.03403	0.9
85.02900	0.7
89.03886	0.8
91.05466	2.2
93.03356	1.2
93.39485	0.7
95.04945	3.6
98.22643	1.1
105.03371	2.2
105.07040	0.8
107.04935	2.1
108.12379	0.7
108.78508	0.8
109.06451	0.6
111.00776	1.9
111.04404	1.8
112.04170	0.7
119.04951	5.3
122.88903	0.8
123.04406	100.0
124.04713	1.4
127.03896	14.8
131.04958	1.0
133.76073	0.7
135.04393	17.7
137.02292	2.4
139.03874	25.3
139.04956	1.2
143.04898	1.4
145.06497	1.0
147.04370	14.7
149.02348	2.0
149.05948	1.0
151.03857	4.6
157.06488	0.8
159.04402	2.2
161.05981	4.6
163.03871	19.3
165.05447	7.1
167.03384	2.4
171.04308	1.1
173.05956	2.9
175.03896	3.1
177.05508	2.3
179.03357	8.1
179.06981	1.9
181.04924	2.0
181.06393	1.1
185.05891	1.2
187.03883	3.3
189.05470	3.2
191.03381	7.2
193.04944	8.6
197.06023	0.8
201.05423	4.8
203.03349	13.2
203.07167	1.1
205.04901	1.1
207.06523	2.2
213.05431	4.3
215.03329	1.6
215.07013	1.0
217.04979	4.8
229.04871	7.0
230.05547	0.9
231.06390	2.0
233.04492	2.0
239.06943	1.1
241.04938	3.6
243.06445	1.6
245.04396	15.9
247.05960	13.4
249.02000	0.9
253.04919	1.4
255.06439	4.5
257.04388	20.3
258.05157	2.9
259.05981	2.9
269.04361	3.8
271.05905	6.4
273.07550	1.8
275.05463	13.4
283.05981	7.6
285.07492	3.3
287.05420	33.7
289.07004	3.2
291.08563	6.3
295.05865	0.9
299.05536	8.9
301.06989	10.6
303.08609	1.3
311.05438	1.0
313.06946	3.0
333.09546	1.0
409.09085	29.5
410.09402	1.7
411.10471	0.9
421.09073	1.5
427.10126	2.3
435.10672	7.5
439.10059	3.3
453.11664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1492
Annotation	PROCYANIDINB2
Peak:m/z	Relative Intensity
51.02376	1.2
55.01884	2.1
65.03942	1.4
67.01849	0.8
67.05521	1.8
68.99783	5.2
77.03933	1.8
79.05510	1.4
81.03407	2.3
85.02915	0.9
89.03908	1.4
91.05476	2.8
92.09136	0.6
93.03403	1.4
95.04972	1.8
99.04465	1.4
105.03385	2.2
105.04548	0.9
105.17162	0.6
107.04964	4.0
109.02880	2.9
111.00795	2.2
111.04433	2.8
119.04936	3.2
121.02866	1.2
123.04414	100.0
124.04848	0.7
127.03897	89.3
128.04259	1.3
131.04895	2.3
135.04399	32.1
137.02347	4.8
137.05966	0.8
139.03886	32.0
141.06947	1.0
143.04869	1.0
145.02800	1.1
145.06435	0.6
147.04391	12.5
149.02303	4.5
149.05963	1.7
151.03886	6.4
153.06926	0.7
155.04910	1.0
159.04373	2.9
161.05962	4.8
163.03883	41.5
165.05458	9.0
167.03398	5.0
169.06433	1.6
173.05939	4.1
175.03944	3.6
176.96922	0.8
177.05443	3.4
179.03384	5.8
179.06975	0.9
181.04942	1.8
181.06413	1.0
185.05893	1.7
187.03798	5.7
189.05457	4.7
191.03392	8.8
193.04903	5.8
197.05922	3.2
201.05431	6.7
203.03354	10.3
203.06943	2.7
205.04854	2.2
207.06410	1.9
213.05415	4.5
215.03369	1.7
215.06953	2.7
217.04958	3.8
219.06587	0.7
225.05505	1.6
227.03371	0.8
227.07034	0.7
229.04941	7.3
231.06483	2.0
233.04306	2.8
237.05266	0.8
239.06926	0.7
241.04901	2.4
243.06587	4.7
245.04417	13.9
247.05954	16.4
248.06029	0.8
253.04816	1.0
255.06355	2.3
257.04391	18.9
258.05261	1.6
259.06030	4.8
267.06464	0.6
268.36795	0.6
269.04358	3.7
271.05969	20.3
273.07352	2.0
275.05457	14.3
283.05951	7.1
285.07532	2.6
287.05460	36.8
288.05573	1.7
289.07016	10.2
291.08591	9.1
295.05792	1.1
299.02496	1.0
299.05469	10.8
301.04117	0.9
301.07037	9.9
303.08633	4.5
313.06927	1.4
331.07333	0.7
333.09409	0.9
391.07703	0.8
405.53619	0.7
409.09146	35.7
410.09491	0.8
411.10849	4.0
417.14630	1.4
421.08582	2.5
427.10260	7.2
435.10718	5.4
439.10303	5.6
451.09744	1.2
453.11429	1.5
561.13293	0.9
583.97943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
55.01867	1.8
57.17282	0.5
65.03935	0.6
67.01846	0.9
67.05507	1.1
68.99776	4.7
70.82362	0.5
74.33933	0.5
77.03887	0.6
79.05461	0.7
81.03406	3.9
89.03886	1.2
91.05467	0.8
92.48138	0.5
95.04938	1.3
99.04457	0.8
103.05441	0.7
105.03365	0.9
107.04935	3.8
109.02863	3.3
111.00764	3.4
111.04437	2.2
119.04945	1.4
121.02831	1.7
123.04411	36.5
124.04793	0.7
127.03896	100.0
128.04259	1.1
131.04921	1.8
135.04395	31.1
137.02338	2.7
137.05986	0.7
139.03882	46.6
141.06966	1.0
143.04823	0.7
145.06447	0.8
147.04385	5.4
149.02353	4.7
149.05946	1.6
151.03888	7.8
153.06903	0.6
157.06392	0.7
159.04440	3.5
161.05942	3.5
163.03882	31.9
164.04298	0.7
165.05446	4.7
167.03381	7.4
169.06442	2.4
173.05980	2.6
175.03877	3.2
177.05444	3.3
179.03391	3.8
179.07008	1.1
181.04948	0.7
181.06442	0.7
183.04295	0.8
185.05986	1.2
187.03815	6.5
187.07559	0.9
187.50223	0.7
189.05453	2.3
191.03348	11.4
193.04933	4.1
197.05956	3.3
201.05411	6.0
203.03352	8.2
203.07025	1.6
205.04897	2.6
207.06430	0.7
213.05423	1.5
215.03400	1.6
215.06976	1.7
217.04980	1.2
225.05423	1.7
227.06969	0.6
228.94452	0.6
229.04953	7.2
231.06491	1.6
233.04414	5.4
241.04893	1.2
243.06477	4.2
245.04430	7.3
247.05981	12.3
251.05383	1.1
253.04916	1.1
255.06464	1.6
257.04376	8.6
259.06021	8.1
269.04385	2.0
271.05960	16.9
273.07645	0.9
275.05447	14.1
283.05978	6.2
287.05466	20.2
289.07034	8.8
291.08630	8.7
299.05463	3.0
301.07007	9.7
303.08655	1.8
325.06934	0.7
391.07986	0.8
409.03879	1.2
409.09146	16.9
411.10568	1.9
421.09094	1.0
427.10248	4.4
439.10306	0.7
487.11838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1495
Annotation	Apigenin 7-(4''-E-p-coumarylglucoside)
Peak:m/z	Relative Intensity
65.03916	0.3
67.01858	0.5
68.99802	0.4
71.31163	0.2
75.13436	0.2
81.03397	0.4
81.11799	0.2
85.02882	0.2
91.05463	1.8
93.47532	0.2
98.43246	0.2
103.05450	0.3
119.04932	4.2
121.02871	0.8
137.05923	0.2
145.02829	0.7
147.04388	12.4
148.04683	0.3
153.01814	4.1
163.03877	0.5
167.06996	0.6
171.02827	1.0
181.04933	0.3
190.94017	0.2
203.07071	0.3
225.05527	0.5
229.05003	0.3
243.06413	0.2
271.05972	100.0
272.06308	2.8
291.08682	0.5
302.77985	0.2
388.74698	0.2
433.11359	0.4
547.19446	0.5
579.22021	1.8
579.40955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1493
Annotation	Apigenin 7-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
50.82823	0.1
62.20533	0.1
65.03941	0.2
67.01857	0.6
68.99789	0.4
69.03413	0.3
69.55608	0.4
81.03406	0.2
81.81817	0.1
84.75623	0.1
85.02888	0.3
91.05020	0.1
91.05470	1.0
97.02883	0.8
98.23306	0.2
119.04921	3.8
121.02852	0.6
127.03896	0.1
129.01782	0.2
137.06009	0.1
145.02844	0.8
147.04382	8.8
153.01797	4.9
153.03053	0.2
163.03889	0.6
165.05432	0.4
169.06532	0.1
171.02849	0.7
181.18616	0.1
187.03929	0.2
197.05920	0.1
203.06964	0.2
205.04979	0.1
219.06535	0.1
225.05379	0.5
229.04929	0.4
243.06491	0.4
247.06020	0.2
271.05948	100.0
272.06277	1.9
288.54395	0.1
291.08508	0.3
309.09625	1.6
349.82413	0.1
579.21265	0.4
579.34833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1493
Annotation	Apigenin 7-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
51.93214	0.2
55.05489	0.3
58.36971	0.2
60.04520	0.3
65.03941	0.2
67.01856	0.7
67.05473	0.2
68.83469	0.2
68.99785	0.6
69.03408	0.3
69.07063	0.3
71.04976	0.2
79.05466	0.2
81.03404	0.9
81.07057	0.4
85.02873	0.3
91.05462	2.8
93.07000	0.4
95.08563	0.5
97.10172	0.3
105.07013	0.2
106.05025	0.5
106.78135	0.2
107.08555	0.3
109.02842	0.3
109.10129	0.5
111.00778	0.2
114.08574	0.2
119.04924	6.5
119.08569	0.4
121.02847	0.8
123.11714	0.3
127.03860	0.3
129.01843	0.3
129.70081	0.2
131.08551	0.2
137.09572	0.4
145.02829	1.3
145.10098	0.2
147.04382	23.9
148.04747	0.4
153.01793	5.8
153.03055	0.3
161.09593	0.5
162.09862	0.2
163.03870	0.6
165.05447	0.7
165.06886	0.2
165.09100	3.1
166.09459	0.3
171.02873	1.3
187.03894	0.3
203.07043	0.5
213.12798	0.2
225.05426	0.6
229.04887	0.6
243.06424	0.3
271.05954	100.0
272.06329	2.5
291.08582	1.6
309.09631	0.7
327.28018	0.2
396.27316	0.5
573.91132	0.2
578.32275	0.2
579.21814	0.9
579.33069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14659	0.0
55.05489	0.1
57.03423	0.5
59.04946	0.1
61.64891	0.0
63.85412	0.0
67.01847	0.4
68.99738	0.2
69.03400	0.1
69.56445	0.0
69.56769	0.2
71.04983	2.9
72.08123	0.1
73.02887	0.1
75.04440	0.2
76.40724	0.0
78.69765	0.0
83.04958	0.1
85.02892	3.6
86.03178	0.1
87.04444	0.1
91.05470	0.3
99.04442	0.1
111.04350	0.1
119.04920	1.4
120.08074	0.1
121.02843	0.4
129.01813	0.1
129.05463	0.8
129.18309	0.0
145.02818	0.6
147.06491	0.1
153.01801	3.5
163.03868	0.4
167.07031	0.1
171.02882	0.4
185.05978	0.1
187.03848	0.1
197.05968	0.1
203.07021	0.1
225.05392	0.3
229.04872	0.3
243.06509	0.2
247.05972	0.2
253.04973	0.1
271.05951	100.0
272.06287	2.1
313.07175	0.1
381.09702	0.1
433.11230	11.2
434.11673	0.3
566.46484	0.1
579.16174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1702
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
57.03377	2.1
60.14370	0.5
65.03875	0.7
65.66492	0.5
67.05461	0.5
69.03373	1.0
71.04980	14.7
78.04656	1.0
81.03394	0.6
82.09727	0.4
85.02891	16.8
91.05428	0.6
95.04906	0.8
106.04065	0.7
107.04861	1.5
111.04396	0.7
115.05350	1.7
117.07011	2.7
121.02769	1.9
123.04408	6.5
124.05145	0.8
127.03911	2.7
129.05441	4.1
129.06938	0.6
135.04338	1.4
136.07489	1.3
137.02260	1.1
137.05943	0.6
139.03845	3.4
145.06474	3.7
147.04335	1.4
151.03801	1.4
153.01759	2.1
155.05980	1.7
161.05875	0.6
163.03809	2.0
164.07011	1.9
165.01799	1.1
167.07004	37.5
168.07315	0.8
171.06450	0.9
173.05951	7.3
177.05478	0.7
181.04895	8.3
188.98589	0.5
201.05507	0.6
205.08490	1.3
213.05351	0.7
224.34706	0.5
231.06322	0.9
233.08003	1.8
235.09621	2.0
237.07489	0.7
241.04836	0.6
247.05881	0.9
257.04404	0.6
258.05136	0.6
259.06018	0.8
271.05908	1.5
287.05432	100.0
288.05646	2.4
299.05481	1.0
336.40552	0.5
387.14337	7.6
409.09033	1.8
417.15314	5.5
433.11224	6.5
445.46866	0.6
572.12030	0.5
579.20624	19.0
580.20990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1703
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
52.37606	0.1
57.03417	0.5
59.70778	0.1
67.01852	0.2
68.99788	0.2
69.20517	0.4
69.20921	0.2
71.04982	2.9
75.04462	0.1
83.04951	0.1
85.02891	4.1
87.04435	0.2
89.05906	0.1
91.05463	0.2
95.21813	0.1
111.04443	0.1
119.04897	1.0
121.02850	0.5
129.01782	0.1
129.05464	0.5
135.25693	0.1
138.03595	0.1
145.02809	0.5
147.06418	0.1
151.87399	0.1
153.01797	3.4
163.03827	0.2
167.07053	0.1
171.02870	0.4
185.09746	0.1
225.05431	0.3
243.06345	0.3
271.05951	100.0
272.06268	2.9
433.11227	11.4
434.11453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1834
Annotation	Kadsulignan E
Peak:m/z	Relative Intensity
62.71614	1.0
62.81822	0.9
69.85251	2.9
69.85598	1.1
70.06564	1.0
89.13895	1.1
98.22749	1.9
140.33496	0.9
163.97942	0.9
194.79175	1.0
223.97960	1.0
237.02954	1.0
287.55112	1.1
523.61023	1.1
579.18250	100.0
580.18988	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	579.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17699	0.7
65.41956	0.7
82.04092	0.8
84.04526	1.1
89.46130	0.7
95.54945	0.7
100.34626	0.8
145.65919	0.8
148.04512	1.0
167.07066	3.8
171.57140	0.8
173.06053	0.9
181.04959	1.3
202.31731	0.8
387.14441	1.4
579.18353	100.0
580.18616	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	579.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63502	0.5
54.14247	0.5
55.01843	0.6
55.81389	0.5
58.60314	0.4
65.03914	1.0
69.03393	1.9
70.06558	1.3
78.04675	1.9
79.05458	1.4
81.03386	0.9
81.79293	0.5
82.04150	0.6
84.08140	0.8
85.02889	3.2
86.09695	0.7
91.05442	1.3
95.04937	1.0
97.02881	1.0
97.06496	0.8
105.27385	0.5
106.04142	1.4
107.04950	1.0
110.03654	0.6
115.05431	3.0
117.07000	5.0
118.06837	0.5
123.04415	5.3
124.05198	1.3
127.05415	1.0
137.05948	0.9
138.03062	0.6
145.06477	9.0
151.03905	0.8
152.04659	1.8
155.05991	3.8
167.07018	100.0
168.07353	1.7
171.06549	1.2
173.05957	20.2
174.06284	0.5
175.07602	1.1
181.04922	23.4
201.05400	0.8
205.08575	3.9
219.10181	2.2
220.10475	2.9
233.08031	4.5
235.09703	3.8
271.06107	0.7
297.98676	0.7
387.14340	16.8
388.14670	1.2
417.15472	11.7
433.95056	0.6
579.20300	46.1
580.20447	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.22
Annotation	ES-242-4
Peak:m/z	Relative Intensity
51.76195	0.7
55.52746	0.8
60.58208	0.7
71.43211	0.9
79.92072	0.9
80.04948	0.7
85.02917	0.9
91.05470	1.1
95.08657	1.0
121.10138	0.8
123.04440	2.9
127.03949	2.3
135.04436	2.0
139.03940	3.2
146.03430	2.1
147.04472	1.4
151.03970	1.8
159.04263	1.6
163.03958	1.6
167.07074	2.7
175.03859	1.2
189.05530	1.0
191.03447	1.5
193.05078	1.2
204.07558	8.4
204.09137	0.8
205.04945	0.9
231.06425	0.9
236.22592	0.9
245.08018	3.2
271.05960	19.1
277.10431	24.7
279.06470	1.6
283.06039	0.9
289.07050	1.2
294.08542	8.2
325.10419	100.0
326.11072	2.8
366.13379	0.9
397.12601	1.1
433.11414	1.7
444.53220	0.8
561.21191	1.5
579.22101	72.1
580.22607	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	579.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38931	0.3
54.12433	0.3
55.05500	0.5
58.96998	0.4
67.05492	0.5
69.03428	0.7
69.17934	0.4
69.52596	1.1
69.52985	0.8
81.07048	0.8
85.02914	1.4
87.21705	0.4
93.07037	1.2
95.04932	0.4
95.08615	1.0
99.95538	0.3
100.11272	0.6
105.03375	0.4
105.07013	0.6
107.08591	0.9
109.10149	1.4
114.09165	0.4
119.08579	1.0
121.10116	0.6
135.11665	0.9
137.05988	0.7
147.04390	0.5
147.11652	0.8
153.01796	2.2
159.04161	2.3
163.04002	0.4
167.07056	1.0
173.05954	0.5
175.03650	0.5
176.00208	0.4
181.04918	0.5
182.15407	0.5
203.07101	0.5
203.17996	1.0
224.04651	0.4
233.92441	0.4
255.06506	0.9
257.08176	1.2
258.07816	0.6
271.05972	36.1
272.06317	9.7
272.09116	0.7
273.06546	8.9
274.10742	6.6
275.11276	0.4
286.04666	0.9
301.07065	3.0
332.11246	0.4
333.12054	3.1
334.13000	0.4
382.13690	0.5
433.11142	3.0
579.21936	100.0
580.22345	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	579.2204
Annotation	ES-242-4
Peak:m/z	Relative Intensity
69.21461	1.3
69.21867	0.6
70.06549	0.3
71.04977	0.7
78.26116	0.3
79.05506	0.4
81.07049	0.5
81.35555	0.3
85.02892	1.4
90.37693	0.4
91.05495	0.6
93.07034	0.3
95.04916	0.4
98.22607	0.6
105.07066	0.4
106.04201	0.4
107.08600	0.4
109.10158	0.5
119.04952	0.9
137.05991	1.1
137.22746	0.4
147.04410	2.1
153.01831	1.1
167.07016	3.4
173.05984	0.5
181.04918	1.2
185.06187	0.3
204.07593	1.1
271.05978	28.5
272.06375	1.1
274.10764	0.9
286.04745	0.8
301.07043	1.7
352.12961	0.4
364.12628	0.5
366.57947	0.5
367.11945	0.5
382.14124	0.5
433.11270	1.9
531.19464	0.5
547.19702	0.5
549.20813	1.3
579.21924	100.0
580.22186	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	579.2199
Annotation	ES-242-4
Peak:m/z	Relative Intensity
55.05467	1.9
58.06572	0.5
67.05442	0.7
69.03408	0.8
69.45028	1.9
70.06562	0.4
71.04948	0.8
74.80701	0.4
81.07004	0.7
83.04962	0.5
83.08597	1.0
85.02864	2.0
91.05477	0.5
96.50089	0.4
98.06036	0.9
98.22758	0.9
99.04401	0.6
100.07581	0.5
100.11250	3.7
105.07001	0.6
109.10087	0.5
111.04424	1.0
119.04910	1.8
121.02823	0.9
133.10114	0.5
140.10657	1.3
145.02835	0.6
147.04286	0.5
153.01764	3.0
155.63220	0.4
159.04147	1.1
163.03867	0.8
167.06976	1.7
168.10146	1.0
168.13829	1.4
171.02841	0.7
175.03546	0.6
178.04906	1.9
182.15356	1.6
187.07524	0.5
204.07622	0.6
210.14790	2.1
220.91362	0.4
221.25822	0.5
228.16119	0.4
271.05966	100.0
272.06253	3.8
286.04767	0.5
287.05475	0.9
295.20206	0.5
301.07001	2.6
364.12875	0.7
382.13809	0.6
383.14514	0.9
394.26910	0.9
433.11188	2.0
549.20740	0.7
578.42816	2.2
579.21936	79.9
580.22345	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	579.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93039	0.6
62.71783	0.6
67.05522	0.7
71.45504	0.7
71.89252	0.7
138.55354	0.7
375.16229	0.7
389.17926	1.1
391.19196	1.4
404.20349	0.8
405.20886	4.1
417.21188	3.6
418.17715	2.7
419.17639	4.3
419.22540	2.6
431.22864	1.4
432.19522	2.3
433.19458	5.3
434.21008	3.6
435.25317	2.6
445.24197	1.3
447.21658	10.5
448.22418	1.7
459.21814	2.0
460.22290	1.0
461.23166	2.8
462.23849	1.6
473.23257	2.2
474.24200	1.8
489.26517	9.9
506.22943	5.8
507.27689	5.0
517.25946	3.1
520.24731	1.5
535.26965	100.0
536.26990	5.1
579.23572	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55811	0.7
69.07767	5.1
83.01349	0.9
90.86256	0.6
91.05458	2.5
92.36666	0.6
93.41827	0.8
98.23528	1.3
104.10728	1.0
119.04936	1.2
121.06474	3.8
123.11707	1.3
131.04916	2.2
131.49832	0.7
147.04414	4.5
149.05974	1.7
161.05978	4.1
162.03111	6.5
175.03938	1.3
177.05469	1.7
189.05455	5.5
190.00992	1.3
190.02589	14.1
192.04146	1.2
205.04935	100.0
206.05324	1.4
207.06456	9.6
217.04878	1.6
219.06522	9.2
229.34178	0.7
231.06505	1.3
233.04471	1.1
233.08104	3.9
235.05966	27.8
247.09612	5.4
259.09628	1.7
261.11142	2.6
272.05963	1.1
273.11151	5.5
329.11420	0.8
329.17429	15.9
490.06049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01869	5.0
55.05495	10.6
57.07071	3.2
59.05006	3.1
61.53010	1.9
66.24337	1.9
67.05495	21.0
69.03396	3.0
69.07058	13.1
69.30694	11.4
71.04983	3.3
79.05486	11.8
81.07047	44.5
83.05006	2.4
83.08614	6.3
84.36045	2.2
85.02892	23.6
85.06554	3.0
91.05469	31.8
92.91027	2.1
93.07033	100.0
95.04958	9.3
95.08599	34.1
97.02867	5.5
97.10160	4.1
100.11250	6.0
105.04547	2.9
105.07018	40.9
107.08582	41.0
107.09258	4.1
109.06569	3.0
109.10144	56.0
111.08073	22.3
119.08565	35.6
121.10126	23.6
123.11668	14.4
127.03901	6.7
128.10750	3.9
131.08528	2.1
133.10112	20.5
135.11670	44.2
135.12633	3.4
145.04915	15.2
147.04420	3.0
147.11670	42.2
151.27452	1.7
156.10254	2.4
161.13243	11.0
163.06013	10.7
163.14757	4.0
165.12729	3.1
175.14827	6.6
182.15448	4.2
193.04901	2.4
203.17941	36.3
221.18987	6.3
271.05963	8.2
272.06271	7.0
325.11050	3.3
338.45575	2.3
578.06903	2.2
580.19312	2.8
580.43951	6.7
581.24072	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	580.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28991	2.1
53.03935	4.6
55.01862	2.6
55.05503	6.6
57.03423	6.8
61.02918	8.0
62.88217	2.1
67.05492	20.5
69.03421	23.8
69.07059	9.0
69.11449	16.2
71.04977	3.4
73.02886	2.2
79.05475	14.1
81.03406	7.3
81.07043	45.2
83.04977	3.3
83.08616	2.5
85.02892	100.0
91.03952	6.3
91.05478	16.0
93.07037	24.9
95.04936	4.0
95.08589	42.9
97.02887	29.1
97.10133	2.3
98.23439	5.0
99.04454	4.3
105.07014	52.3
107.08575	41.8
109.02856	8.2
109.06506	3.1
109.10141	39.1
111.04440	2.4
113.68556	1.9
117.07027	3.3
119.08561	33.9
121.10132	18.2
123.11701	8.4
127.03896	25.1
127.72618	2.2
133.10103	21.3
135.11656	10.0
145.04930	40.8
147.11665	40.3
151.11171	2.4
159.11737	3.3
161.13193	10.9
163.06047	11.4
163.14796	5.5
175.14810	5.6
198.00594	2.4
201.16380	2.4
203.17921	59.8
221.19075	5.0
228.17470	2.1
237.07137	2.2
271.06021	7.5
272.06216	5.4
322.18597	2.3
526.03229	2.4
580.18744	11.7
581.19531	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	580.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75703	3.1
55.05508	16.4
57.03450	3.5
57.07058	3.7
63.63647	2.7
67.05501	43.1
69.03402	4.8
69.07054	28.1
69.24177	10.8
69.24583	7.0
72.78162	3.3
79.05474	27.5
80.57883	2.9
81.07039	65.8
83.08598	8.4
85.02889	21.9
85.06535	21.6
85.89001	2.8
91.05470	37.5
93.07034	94.5
95.04955	11.6
95.08597	72.8
105.04493	5.6
105.07014	82.6
107.08584	67.2
109.10142	100.0
109.10882	5.2
111.08066	13.3
117.07016	4.0
119.08566	70.6
120.50916	3.0
121.10126	42.4
123.11686	21.2
125.09634	4.4
127.03873	6.1
131.08507	3.1
133.10104	34.4
135.11676	48.5
145.04912	4.8
145.10126	3.3
147.11671	74.9
148.37392	2.9
149.13246	3.2
159.11676	3.2
161.13210	26.2
163.11180	3.5
165.12698	5.6
167.06955	3.0
175.14812	8.6
179.22067	2.9
185.09123	3.1
203.17928	92.3
221.19054	8.2
258.04880	3.5
271.05984	18.4
271.08600	3.1
272.06381	28.0
273.06494	7.5
274.06854	3.2
274.10562	5.8
275.10977	4.3
286.04742	9.0
287.05096	11.3
301.07053	18.5
302.07407	25.5
302.12903	3.7
580.22540	55.8
581.22736	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	580.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01860	4.8
55.05502	11.4
56.34760	2.7
57.03436	7.1
57.07053	2.9
60.04516	50.1
66.79353	3.1
67.05489	35.4
69.03427	19.3
69.07047	18.3
69.10727	6.7
69.11125	12.3
69.96963	2.9
70.06593	3.4
71.04990	4.3
73.02953	2.7
74.05981	2.7
79.05484	16.4
79.07954	2.5
81.03402	11.8
81.07043	55.4
83.08607	6.6
85.02892	78.8
87.04456	5.0
91.03922	4.4
91.05462	28.4
93.07030	70.2
95.04958	6.6
95.08595	55.5
97.02872	23.0
97.06523	3.0
97.10159	3.9
98.05032	3.1
99.04452	4.5
99.08094	2.7
105.04550	4.4
105.07010	50.2
107.08573	61.0
109.02879	11.5
109.06471	3.0
109.10139	100.0
111.08081	11.8
117.07022	5.9
119.08566	43.7
121.10120	26.0
123.08024	4.0
123.11697	13.3
125.09624	3.8
127.03889	27.5
131.08583	5.7
131.94585	3.0
133.10114	28.5
135.11658	38.7
143.94409	2.9
145.04921	29.6
145.10129	9.0
147.11661	55.2
149.13239	4.9
161.13188	15.9
163.05997	13.0
163.11108	6.4
175.14839	6.8
203.17908	82.8
221.18991	6.6
296.25665	4.6
314.26877	14.4
332.27869	39.2
462.43991	2.8
580.24280	5.5
580.33325	49.1
581.17804	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	581.1496
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
57.03411	0.3
67.01844	0.3
68.99796	0.3
69.03423	1.1
70.34404	0.1
73.31499	0.1
79.58272	0.1
83.65395	0.1
85.02891	0.7
87.04459	0.6
89.03898	0.2
95.08574	0.1
97.02865	0.8
109.02885	0.1
115.03902	0.7
117.03330	0.1
123.04425	0.1
129.01793	0.1
133.04919	0.4
135.04390	1.3
137.02322	0.4
153.01794	3.7
161.02287	0.6
163.03845	0.2
171.02869	0.4
179.03360	0.2
201.05460	0.1
203.03362	0.2
213.05414	0.1
219.06499	0.2
241.04849	0.5
245.04298	0.2
259.06122	0.1
269.04364	0.4
281.02304	0.1
286.04626	0.2
287.05429	100.0
288.05786	2.3
329.06284	0.2
347.87811	0.1
377.67673	0.1
383.06680	0.1
406.90405	0.1
419.09207	0.2
449.10706	10.5
450.10904	0.4
496.09494	0.1
581.20563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.15
Annotation	Kaempferol 7-glucosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
53.03928	0.3
55.01863	0.3
57.03418	0.6
60.46088	0.2
61.02913	0.9
68.99796	0.3
69.03424	2.2
69.14877	1.3
70.06583	0.3
71.04984	0.4
73.02892	0.3
81.03403	1.1
85.02897	4.9
87.04449	0.3
93.03412	0.2
95.04946	0.3
97.02882	1.9
98.23394	0.5
103.09845	0.2
105.03400	0.3
107.04954	0.2
109.02857	0.9
111.00805	0.6
112.57738	0.2
115.03928	0.5
121.02847	1.9
127.03930	1.2
133.02840	0.3
133.04997	0.3
137.02306	0.6
145.04927	0.6
145.06573	0.2
147.04399	0.3
153.01833	2.5
157.06622	0.3
161.05933	0.3
165.01855	1.2
167.07022	0.8
183.02888	0.7
185.05884	0.3
213.05467	1.3
231.06520	0.7
241.04987	0.9
258.05264	0.7
274.76105	0.2
287.05469	100.0
288.05774	2.2
302.44653	0.2
303.04922	0.3
327.12057	0.4
399.07156	0.2
419.09714	7.4
581.19928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1642
Annotation	leufolin A
Peak:m/z	Relative Intensity
53.87065	1.6
57.03450	1.6
65.03949	2.1
69.66035	5.6
72.74170	1.5
81.03403	2.0
85.02903	4.2
85.32444	1.6
88.45892	1.5
91.05492	13.7
93.07037	2.3
95.04906	1.6
98.22695	1.9
104.77889	1.5
105.07021	2.1
107.04926	2.0
119.04934	24.6
121.10165	2.6
127.03957	1.4
137.05969	2.7
147.04390	100.0
148.04715	3.9
151.03909	1.9
153.01846	8.0
165.05516	2.2
167.07083	2.8
171.02916	5.7
189.05237	1.6
195.02827	8.5
205.04895	1.7
244.60736	1.6
271.06009	22.7
272.06332	16.8
273.06662	13.9
291.08725	2.5
315.08835	2.2
514.83630	1.6
581.15784	24.6
581.32556	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11119	1.0
53.03927	1.6
55.01869	9.0
64.88828	1.0
65.03934	23.4
67.05479	4.6
69.76466	3.1
71.01332	1.2
74.63850	1.0
77.03923	1.1
79.05476	2.8
81.07034	4.6
81.93913	1.0
82.04178	5.9
85.02895	4.5
91.05487	1.5
93.03390	10.9
94.04171	1.2
95.01324	2.7
95.04961	5.3
97.06487	1.3
103.05443	1.3
105.01887	1.8
105.04529	1.5
107.04934	7.7
108.02080	3.8
110.03647	18.3
111.04430	22.8
115.05467	1.4
119.04951	1.2
121.02853	19.9
121.06425	2.0
125.05980	22.4
127.03905	1.9
131.04915	3.0
133.02840	2.9
133.06464	1.6
135.04385	3.9
137.05965	2.5
138.03139	2.6
141.05437	1.5
145.06487	2.0
146.03593	1.7
147.04350	1.6
149.02264	1.0
149.05959	2.2
151.03902	57.0
151.05011	6.4
153.05444	88.8
161.06000	2.2
163.03885	1.6
165.05544	1.7
165.06943	2.8
167.07097	5.5
167.08380	1.5
173.05974	2.6
174.06734	1.5
175.07567	2.1
177.05492	2.2
177.06943	1.3
178.06239	3.2
178.07761	4.6
179.08533	3.8
181.04930	3.2
181.06468	4.3
187.03812	1.2
187.07530	1.2
189.06973	3.5
190.07785	1.9
191.08553	3.3
192.05765	1.5
194.07269	3.6
195.06461	2.1
195.08061	2.7
196.07228	1.9
196.08879	1.9
197.06068	1.3
201.05484	2.5
202.06177	2.7
203.06993	2.4
205.04878	2.7
205.06505	3.1
206.07219	6.2
207.08009	9.1
208.08795	2.1
209.05989	2.5
210.06731	1.1
210.24120	1.1
211.07414	1.4
215.07091	1.3
217.06470	1.4
218.07175	4.0
219.08076	2.1
221.05969	2.1
221.09479	2.1
222.06613	2.7
223.07588	5.5
224.08342	6.3
225.09018	2.0
226.06279	1.3
234.06598	6.1
235.07513	7.0
236.08267	6.9
237.05441	2.0
237.09016	5.8
239.06929	1.5
239.10583	2.4
245.08057	14.8
247.07553	2.0
248.08296	1.5
249.05521	1.5
249.06726	1.0
249.09036	6.7
250.06180	2.4
251.07013	4.2
252.07790	23.3
253.08501	4.4
261.05359	1.3
262.06256	3.3
263.07047	5.8
263.09460	1.1
264.07822	4.9
265.08530	5.9
266.09326	3.6
267.10117	12.3
269.08154	2.4
273.05530	1.3
275.06900	2.3
276.07574	1.8
277.08536	5.3
279.06485	2.9
279.10001	1.3
280.07288	6.5
280.09967	1.1
281.08124	5.3
290.05841	1.1
291.06302	1.5
292.07294	3.7
293.08096	5.5
294.08798	2.2
295.09613	17.1
296.10358	3.3
297.07703	1.8
305.08099	3.0
307.09506	3.6
308.06708	2.6
309.07565	2.5
310.08328	1.3
311.09238	1.2
321.07559	1.1
323.09091	84.8
324.09579	4.4
325.10632	5.0
327.12350	2.6
335.09177	2.9
336.09729	1.5
337.10638	4.2
339.12268	1.9
349.10568	2.5
353.10159	4.1
355.11707	100.0
356.11969	3.1
357.13010	1.6
367.11743	10.3
368.12317	2.6
385.12793	3.2
581.25726	1.2
602.90979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2226
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.25033	3.8
55.01852	4.4
68.37715	3.9
71.43198	4.6
77.26696	4.2
81.03407	8.1
84.78038	4.3
91.70960	4.4
105.07018	5.6
105.91282	4.0
117.07011	10.1
123.04382	10.8
127.03922	8.7
133.06450	5.2
137.05946	4.4
139.03894	7.7
145.06461	14.7
145.08525	5.3
151.03885	4.0
155.06081	5.1
161.05948	10.6
167.07027	100.0
168.07385	43.6
168.85350	4.7
169.07565	16.7
173.05992	28.8
174.06300	10.2
175.06473	5.0
181.04962	18.0
182.05241	7.4
190.06204	8.4
191.07021	4.3
205.08615	26.5
208.77110	3.9
217.08603	5.4
235.09636	8.9
247.09685	4.6
253.08586	4.4
287.05499	7.0
388.14578	10.1
389.14883	13.5
419.15869	16.1
555.41553	4.6
581.21051	94.3
582.21210	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	581.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
57.03433	4.3
67.74970	0.4
69.35466	2.4
70.06586	0.7
75.04478	2.6
77.31010	0.4
79.05476	2.1
81.03407	0.4
85.02906	3.3
91.05452	0.7
94.04157	0.7
95.04955	0.8
97.02876	0.5
103.05459	1.8
105.07022	24.0
106.93946	0.4
107.04937	2.1
109.06465	0.5
115.05466	0.9
117.06998	0.7
122.03628	1.5
133.06480	51.0
134.06786	0.6
137.05969	100.0
138.06357	1.5
145.04970	0.7
145.06424	0.5
146.83673	0.5
151.07539	0.7
163.07538	3.8
165.09109	31.7
166.09491	0.6
175.07562	3.6
175.11172	0.9
177.09068	1.0
181.08580	1.8
183.10156	22.9
203.10637	2.4
209.11751	0.8
221.11734	3.3
239.12679	3.2
248.63698	0.5
257.13821	65.2
258.14117	1.3
320.22733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.1
63.12680	4.8
67.05493	11.9
69.50188	18.0
69.75725	5.3
70.06542	6.5
75.67708	5.7
77.56776	4.5
81.07043	17.4
83.08598	6.8
85.02896	20.7
85.06501	6.4
89.09518	5.5
91.05467	11.3
93.07021	26.0
94.07358	7.0
95.08604	13.2
96.08941	5.8
97.02853	6.1
98.23383	9.5
105.06993	16.3
107.08580	22.0
109.10151	21.7
111.04436	4.9
119.08574	16.0
121.10100	9.9
127.11197	6.0
133.10089	9.4
135.11699	19.6
136.11989	5.8
137.05989	5.1
145.04942	7.9
147.11684	12.7
161.05962	7.5
162.06555	4.8
167.07050	6.6
182.27766	5.6
187.07571	8.0
189.07018	5.1
203.17909	21.6
204.18282	9.9
257.28360	5.5
271.05905	27.6
272.06509	9.2
273.24863	5.2
581.23010	100.0
582.23602	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	582.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25483	1.9
57.03384	2.2
69.03420	30.1
69.07056	19.5
70.42991	5.3
82.98940	2.3
85.02889	6.7
87.04465	3.2
97.02878	50.1
111.11722	10.6
115.03914	52.7
121.10123	3.1
133.04933	4.6
139.11166	10.9
271.15366	100.0
400.69366	2.2
522.31494	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	582.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.2
57.03429	8.0
57.07082	7.2
61.02921	14.6
67.05485	29.7
69.03414	18.3
69.07064	35.6
69.37338	15.3
69.37746	22.0
73.02934	8.0
76.90096	5.7
79.05477	27.7
81.03410	8.9
81.07042	100.0
81.09306	7.1
83.08620	16.4
85.02893	85.2
87.00822	8.3
91.05451	16.4
93.07027	41.2
95.08593	60.1
97.02883	29.9
97.06538	28.2
99.04445	7.6
105.01849	25.1
105.07045	27.5
107.08575	48.8
109.02840	9.6
109.10146	28.5
117.06977	7.0
119.08559	9.6
121.10129	41.6
123.11699	24.5
127.03866	36.0
133.10120	9.4
135.11636	24.1
137.09647	8.2
145.04918	36.3
145.10054	10.4
147.11700	10.0
149.13243	27.6
150.12805	8.2
153.05414	7.5
153.12711	11.8
163.05934	14.7
174.99034	7.1
184.07315	6.7
188.14331	9.9
205.19560	39.6
223.20567	21.3
249.05887	7.8
340.22705	10.5
346.27322	30.6
357.13168	8.8
367.24738	19.6
381.74094	8.5
420.30862	9.0
442.25726	9.4
564.29681	7.5
576.18152	8.9
582.22058	13.3
582.37451	87.0
583.27338	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	583.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
63.71439	1.0
65.03937	27.1
67.05499	3.9
69.10003	7.3
71.01341	1.1
77.03936	1.2
79.05487	3.7
81.03422	1.8
81.29554	1.0
82.04198	4.9
85.02877	1.7
89.90447	1.2
91.05505	2.9
93.03396	11.3
95.01336	3.3
95.04967	4.7
97.06523	1.4
101.88867	1.0
103.05484	1.8
105.04479	1.2
105.07049	3.2
107.04947	4.1
108.02100	3.9
109.33784	1.2
110.03647	25.8
111.04435	26.7
111.05164	1.9
115.05439	2.1
121.02853	16.9
121.03838	1.8
121.06474	1.5
122.03658	1.8
123.04411	1.6
125.05981	27.5
129.07021	1.4
131.04930	1.7
133.06483	2.6
135.04462	2.7
137.05960	10.1
138.03113	2.6
143.04910	3.0
144.05745	1.5
145.06488	2.9
147.04468	1.7
147.08035	2.5
149.06033	1.6
151.03902	38.4
151.05017	4.0
151.07530	2.6
152.04347	1.1
153.05453	100.0
154.05794	2.0
159.08066	5.1
161.05997	6.4
163.03905	2.3
163.07568	1.2
165.05542	2.3
165.07001	3.0
167.07033	12.2
169.06418	1.3
171.04330	1.2
175.07518	6.6
177.05383	1.9
178.06281	1.4
178.07732	1.5
179.03195	1.0
179.08524	1.6
180.09195	1.4
181.04976	2.7
181.06499	1.1
182.07271	1.3
186.06818	1.2
187.07541	2.4
189.05406	2.6
191.08545	2.1
193.06506	1.4
193.08580	1.4
194.07222	2.6
195.06488	2.3
195.08060	2.9
196.08855	1.3
197.06122	1.5
197.09584	1.9
199.07555	2.2
202.07816	1.3
203.08611	1.3
204.07841	1.2
205.06584	1.7
205.08549	2.2
206.07353	1.7
207.08078	3.1
208.08870	2.1
209.09665	1.5
211.07613	3.8
216.07790	3.9
218.07257	3.1
219.08092	4.9
220.08922	1.9
221.06041	1.5
222.06770	1.9
223.07588	5.0
224.08293	2.4
225.09111	3.8
226.06245	3.3
233.05925	1.7
234.06726	2.6
234.74858	1.0
235.07571	3.2
236.08292	4.5
237.09052	2.8
238.06157	1.8
239.07007	6.2
239.10623	2.6
240.07738	1.7
247.07492	2.0
247.09657	13.3
248.08267	1.5
249.05469	1.2
249.09029	2.4
250.09665	1.5
250.84001	1.2
251.06941	1.6
251.10637	4.4
252.07745	2.6
253.08569	11.7
254.09274	5.4
263.06876	1.5
264.07745	3.8
265.08502	6.4
266.09302	2.3
267.10071	3.5
268.10559	1.2
269.11658	5.4
271.05997	2.4
272.06369	1.4
273.06491	1.4
274.06586	1.4
275.07040	2.1
276.07690	1.7
277.08310	1.9
278.09424	1.6
279.06827	1.2
279.10223	2.6
281.08075	2.5
282.08798	4.2
283.09631	3.3
287.05493	1.6
291.10141	1.7
293.07938	1.7
294.08719	1.9
295.09631	3.2
297.11230	10.0
306.08456	1.1
307.09625	10.2
308.10535	2.5
309.11191	2.5
311.09067	1.1
319.09729	2.6
325.10663	58.1
326.11249	2.4
327.12183	2.1
329.13657	1.9
337.10547	2.7
339.12219	27.6
341.13846	3.0
351.12183	6.7
352.12964	1.9
355.11743	2.1
357.13281	56.0
358.13678	3.2
369.13211	4.3
370.14044	3.2
387.14380	2.5
470.72580	1.2
495.82870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22966	2.2
65.27280	2.3
66.03400	2.5
79.05493	6.7
81.03407	10.4
85.02891	2.6
88.86580	2.1
91.05452	9.9
94.04185	5.8
95.04974	3.4
98.23129	3.8
103.05476	4.7
105.07016	10.1
107.04946	14.2
109.02872	5.1
114.26540	2.5
115.05471	14.7
117.07027	10.9
119.04871	3.0
122.03638	11.3
123.04417	8.6
124.05206	3.3
127.03856	5.5
129.06996	3.7
131.04918	5.9
133.06482	10.6
137.05956	100.0
144.05702	3.8
145.06442	16.6
147.04347	4.1
147.08057	3.3
149.05931	3.7
151.03896	17.0
151.07520	4.6
153.05469	5.6
155.05995	2.9
156.05673	2.3
161.05942	15.2
165.06680	2.6
167.07021	85.7
173.05957	14.6
175.07442	5.2
177.05428	3.3
179.06982	6.8
181.04915	13.9
181.06346	4.3
187.07500	6.6
191.06975	6.0
193.08601	8.8
195.06554	2.6
197.05898	3.7
205.08546	19.1
207.06508	9.7
207.08240	4.1
207.10034	3.3
217.08556	11.0
219.10138	6.8
221.04417	5.3
221.07983	6.0
223.09596	3.5
225.05312	2.8
226.06136	2.6
233.08061	6.4
235.07498	4.2
235.09560	16.6
239.06978	3.3
241.08478	8.2
251.07173	2.7
257.08026	5.3
261.09125	4.0
268.07092	2.7
269.08200	5.1
271.05930	3.3
277.10715	31.3
286.08179	2.9
294.08627	2.7
295.09665	3.2
297.07309	3.0
301.10931	3.7
305.07809	2.9
313.10541	2.4
314.07617	3.4
315.12259	3.4
321.10962	3.2
323.09396	2.3
329.10120	15.6
330.10287	3.0
331.11981	4.9
332.06494	2.4
337.10541	4.5
353.13782	2.7
355.11572	3.4
367.11786	3.9
381.13318	7.4
385.12628	4.6
393.13474	3.0
397.13058	2.7
399.14261	6.5
411.14432	5.3
429.15204	5.0
441.15463	2.8
459.16486	20.3
523.32123	4.4
547.19537	5.5
553.20386	7.6
565.20605	18.3
581.31091	2.7
583.21472	20.1
583.34979	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	583.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01871	1.3
59.33573	0.6
60.26271	0.6
65.03929	3.2
66.04704	0.7
67.05495	2.2
67.68589	0.5
69.03412	0.7
69.08630	1.9
69.09050	2.2
71.01331	1.2
79.05482	2.7
81.03424	1.7
81.07047	0.9
85.02893	1.8
91.05472	2.7
94.04160	2.2
95.04955	3.9
103.05453	16.8
105.03399	1.3
105.04520	1.1
105.07021	2.7
107.04955	4.7
108.02081	2.7
109.06532	1.0
110.03681	0.7
111.04434	1.7
115.05442	2.4
117.06985	3.2
118.04151	3.4
119.04952	2.0
119.08564	0.6
121.06493	1.9
122.03643	4.1
123.04439	1.7
125.05981	1.5
129.07011	1.1
130.04144	1.1
131.04918	26.0
132.05684	0.9
133.02846	2.3
133.06506	2.7
135.04436	1.4
135.08020	1.3
137.05963	53.4
138.06242	0.7
141.05453	2.3
143.04910	2.2
145.06487	3.6
146.03574	2.0
147.04410	2.2
147.08029	1.0
148.05167	8.5
149.05977	2.6
150.06726	1.4
151.03893	100.0
151.04985	8.2
153.05490	2.8
157.06490	1.6
160.05142	1.4
161.06020	4.0
163.03867	1.1
163.07520	18.8
165.05449	2.1
165.09125	0.8
167.07013	7.7
171.06544	1.0
173.05956	3.2
174.06737	0.7
175.07516	5.4
176.04689	2.7
177.05501	3.3
177.06819	0.6
178.06213	2.0
179.07068	1.2
179.08627	1.0
181.04939	17.4
185.05783	0.7
187.07582	2.4
189.05453	1.5
189.09160	0.9
190.06140	0.7
191.07005	83.2
192.07426	1.4
193.08609	0.9
195.06493	3.1
196.07303	1.1
201.05461	0.8
203.07043	3.2
205.06660	1.1
205.08539	3.0
206.07211	1.3
207.10078	0.9
209.07996	3.3
217.08589	1.0
219.10188	1.8
221.08054	0.7
223.09648	1.2
227.06879	0.8
231.06459	0.8
233.08031	4.6
235.07664	0.9
235.09674	4.3
237.09198	0.9
239.10579	0.9
245.08154	0.7
249.09071	1.5
258.49280	0.7
263.09140	9.0
265.08481	1.6
267.10052	1.3
269.08139	0.8
277.08539	2.1
293.07901	0.7
295.09558	1.8
297.11029	0.9
309.11215	1.7
327.12189	3.2
329.13770	1.6
336.86636	0.7
337.10760	1.2
341.13785	0.9
351.12354	1.5
355.11786	8.1
357.13245	1.7
359.14926	1.3
365.93079	0.7
369.13290	2.0
387.14319	13.7
410.24164	0.9
449.59711	0.7
536.98688	0.7
583.27325	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.1
57.07079	20.3
65.89452	6.5
67.05499	34.5
69.03429	7.3
69.07061	28.7
79.05486	37.9
81.07050	51.4
82.77001	6.0
83.05010	13.8
83.08617	16.6
85.06532	10.3
89.06011	6.1
91.05485	67.0
93.07037	66.6
95.04964	24.4
95.08613	42.8
97.06497	7.4
98.22689	11.6
105.04532	6.4
105.07022	100.0
107.08580	56.5
109.06497	14.6
109.10160	27.3
115.05476	9.6
117.07018	23.2
119.08579	99.4
121.06493	6.5
121.10135	61.2
123.08089	18.9
123.11689	7.1
128.06227	15.8
129.07001	23.4
130.07762	10.4
131.08575	48.9
133.10120	61.3
135.08061	10.6
135.11691	19.9
137.09607	11.8
141.06956	8.5
142.07765	33.2
143.08527	60.3
144.09360	10.4
145.10083	79.5
147.08018	28.7
147.11685	25.7
149.09650	7.8
151.07527	17.4
155.08588	25.8
156.09338	25.7
157.10100	80.1
158.10934	10.3
159.11641	41.4
161.09634	13.9
163.11198	12.0
165.06993	13.8
165.09138	42.5
167.08566	19.2
167.10704	19.0
168.09421	8.4
169.10112	35.5
170.10901	14.7
171.11667	41.6
173.13232	23.9
175.11165	6.7
175.14803	11.2
179.08545	16.8
180.09396	14.6
181.10100	19.8
181.12268	11.3
182.10854	13.7
183.11653	38.8
184.12448	8.0
185.13211	18.3
192.09314	9.2
193.10191	15.4
194.10939	15.6
195.11719	26.2
197.13257	23.7
199.14853	25.8
203.14267	15.4
205.10109	9.1
206.10930	10.5
207.11737	22.6
207.13661	8.0
209.13295	29.0
209.15152	6.6
211.14798	14.2
217.15842	16.3
219.11635	16.1
220.12512	9.2
221.13281	23.4
221.15376	79.8
222.13899	5.9
223.14758	15.9
225.16209	10.4
233.13234	15.2
234.13913	7.1
235.14813	14.5
237.16277	10.2
244.12520	8.8
245.13148	7.8
246.14180	8.1
247.14827	17.5
249.16364	8.9
259.14886	11.1
265.19519	9.2
271.14978	7.8
273.16348	10.0
275.17865	16.0
277.19470	6.9
282.95337	6.3
283.20605	16.1
331.24359	11.6
349.25259	8.7
367.48392	6.4
491.34839	7.4
505.57184	5.6
565.40234	20.0
583.33038	7.8
583.41455	94.8
584.42395	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.05499	19.1
57.06816	2.9
57.07057	14.4
59.04988	5.6
63.02397	2.6
65.03932	6.4
67.05495	27.4
69.03425	7.5
69.07061	24.9
70.09452	5.1
72.88474	2.0
79.05481	31.4
81.07054	38.9
83.04984	4.7
83.08614	10.0
85.06535	10.0
87.46964	2.5
89.05995	2.7
91.05467	59.0
93.07030	66.1
93.07595	3.8
95.04948	19.8
95.08593	39.7
97.06518	5.2
97.10190	2.4
103.05470	5.7
105.04521	2.9
105.07014	89.9
106.07837	2.2
107.08582	55.6
109.06490	11.4
109.10144	23.1
109.71030	2.4
111.08086	2.7
115.05439	7.7
116.06249	3.4
117.07005	18.1
119.08569	100.0
121.06485	4.9
121.10130	56.1
123.08067	17.0
123.11681	6.2
125.05977	4.1
125.09594	4.1
128.06201	18.9
129.06979	24.2
130.07787	10.3
131.08557	41.0
133.06517	3.3
133.10114	49.0
135.08061	10.3
135.11670	16.2
137.09592	13.0
137.13277	2.4
139.11156	2.6
141.06958	15.8
142.07761	27.7
143.08553	50.8
144.09335	9.4
145.06509	3.4
145.10103	58.8
145.11208	3.9
147.08029	18.3
147.11676	20.7
149.09618	10.3
149.13220	3.1
151.07536	16.9
151.11119	2.7
153.07025	6.4
154.07779	6.8
155.08534	23.1
156.09317	28.9
157.10104	55.9
158.10901	12.2
159.08072	6.8
159.11673	30.2
161.09637	7.8
161.13261	8.6
163.11172	9.1
165.07018	10.8
165.09093	27.8
166.07764	5.6
167.08594	15.1
167.10667	14.0
168.09383	10.8
169.10115	36.2
170.10915	9.3
171.11656	37.4
172.12424	3.7
173.09685	3.7
173.13217	32.2
175.14793	11.8
177.12756	3.0
179.08554	22.9
180.09389	7.8
181.10074	22.2
181.12267	8.1
182.10869	10.6
183.11673	35.7
184.12392	6.2
185.13251	19.8
187.11189	3.7
187.14827	8.9
189.12743	7.4
191.08565	6.2
191.14288	13.0
192.09358	6.9
193.10072	22.0
194.10852	17.1
195.11646	27.7
196.12456	7.6
197.13231	22.6
198.13882	3.3
199.14781	26.4
201.12708	3.9
201.16521	4.0
203.08614	2.9
203.14287	14.8
205.10129	5.5
206.10884	13.4
207.11691	24.6
207.13795	7.1
208.12445	6.9
209.13223	35.1
210.14021	3.9
211.14777	14.9
213.16431	4.9
215.14420	4.8
217.10114	3.6
217.15761	15.2
218.10956	6.2
219.11745	9.4
220.12468	9.4
221.13239	17.7
221.15382	57.9
222.13972	6.3
223.14897	13.8
224.15546	3.2
225.12830	3.4
225.16370	9.5
227.14236	4.7
229.10248	3.5
230.10913	3.6
231.11710	7.8
231.17328	4.7
232.12347	5.7
233.13246	14.4
233.15369	5.7
234.13998	5.2
235.14796	18.0
236.15515	3.0
237.12672	3.5
237.16379	7.6
239.17921	5.5
243.11647	5.4
244.12437	3.2
245.13243	10.3
246.14015	6.1
247.14816	6.4
247.17052	2.7
248.15689	2.6
249.16377	11.8
250.17265	2.8
251.17970	6.6
253.19359	3.6
255.17227	3.4
257.18973	9.2
258.14035	4.7
259.14825	5.9
260.15768	5.7
261.16315	15.9
263.17941	7.0
265.16348	2.3
265.19589	8.4
267.17416	3.1
269.19052	4.4
271.14804	3.5
271.20657	3.6
272.15326	3.2
273.16318	5.8
274.17099	2.8
275.17938	13.4
277.19556	3.9
281.19052	6.6
283.20630	18.4
287.17673	3.8
289.19495	5.5
291.20877	2.9
297.21960	3.5
300.20880	5.5
303.21011	4.1
305.22311	2.5
307.20587	3.2
314.20386	2.9
315.20941	4.6
331.24197	8.0
349.25317	9.6
356.15009	2.5
361.25302	4.0
375.26938	6.2
403.30103	5.9
483.63480	2.4
491.34952	8.1
503.35388	4.9
547.39178	3.6
565.40192	19.7
583.41345	96.8
584.41656	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.3
55.05497	12.7
57.07068	18.5
67.05497	19.4
69.03411	9.0
69.07066	30.1
79.05492	34.3
80.27469	5.0
81.07061	42.6
83.04993	8.6
83.08608	13.4
89.06026	6.7
91.05470	61.2
93.07040	74.7
95.04951	19.3
95.08601	39.2
103.05471	4.9
105.04533	8.4
105.07018	84.4
107.08574	58.2
107.47525	4.3
109.06480	11.2
109.10158	25.4
115.05450	7.1
117.07015	17.4
119.08569	100.0
121.10124	71.0
123.08051	14.6
123.11691	14.0
128.06209	13.7
129.06985	15.0
130.07692	6.4
131.08553	36.3
133.08557	6.2
133.10106	50.5
135.07986	8.1
135.11655	24.1
137.09558	5.6
139.11131	6.9
141.06982	11.2
142.07794	23.4
143.08546	45.4
144.09332	6.9
145.10101	63.0
147.08003	12.4
147.11646	25.1
149.09589	11.0
150.13408	4.9
151.07520	5.1
155.08527	20.8
156.09348	21.5
157.10100	62.3
158.10808	9.4
159.08070	12.1
159.11685	34.4
161.09631	10.4
161.13272	6.1
163.14856	4.4
165.09085	17.1
167.08553	13.7
167.10654	58.3
169.10097	40.9
170.10846	8.5
171.11639	36.7
173.13242	27.4
175.14827	12.7
179.08542	18.3
180.09381	7.4
181.10115	24.0
183.11723	27.8
184.12436	5.0
185.13225	26.1
187.14781	6.9
189.12740	7.5
191.14319	9.2
192.09296	8.0
193.10118	13.3
194.10880	10.2
195.11664	22.4
197.13200	23.7
199.14786	14.6
203.14334	9.3
205.10010	6.4
206.10899	10.1
207.11632	20.9
208.12428	7.5
209.13271	36.0
211.14774	12.0
217.15887	9.3
219.11601	7.5
220.12532	6.2
221.13197	17.3
221.15363	40.8
223.14821	18.8
225.16507	7.8
227.14217	7.5
231.11652	6.6
232.87054	5.6
233.13161	15.4
233.15346	21.1
235.14809	15.1
237.16331	13.4
245.13280	8.1
247.14877	7.1
249.16418	8.6
251.17952	11.7
259.14774	11.4
261.16370	12.1
263.18060	7.3
263.58862	4.5
265.19577	6.9
273.16327	6.3
275.17947	8.3
283.20566	12.8
331.24213	8.4
349.25217	5.9
375.26746	8.3
428.20782	5.0
455.41232	5.3
478.58975	5.5
491.34579	8.6
509.87885	4.8
551.77136	5.2
556.67053	6.3
565.39807	18.8
583.33032	5.5
583.41394	88.2
584.41949	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26653	11.8
55.05499	19.2
57.07066	16.1
64.72211	12.5
67.05505	26.5
69.07046	20.7
79.05493	40.7
79.36850	12.5
81.07063	33.0
91.05490	36.9
93.07024	57.4
95.04978	14.6
95.08598	29.5
95.44491	10.8
97.06522	15.5
105.07019	71.8
107.08630	34.5
109.10135	24.4
112.42307	9.7
115.05405	13.2
117.07008	13.2
119.08562	100.0
121.06551	13.4
121.10130	45.9
128.06209	17.2
129.06989	12.5
131.08582	33.4
133.10123	36.2
135.11713	13.0
143.08554	37.5
145.10133	40.4
156.09290	15.7
157.10155	39.9
159.11722	14.6
165.09071	21.3
167.08591	13.3
167.10681	38.0
168.09283	18.4
169.10095	20.2
171.11673	29.8
173.13243	19.0
179.08594	16.3
183.11626	21.1
185.13281	17.7
193.10246	19.1
195.11697	20.3
197.13330	21.5
197.87064	12.0
207.11787	27.3
207.13614	12.8
209.13229	11.5
221.15326	41.2
233.15439	24.0
283.20511	14.2
377.58664	13.7
398.87393	14.1
565.40741	13.3
583.41418	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.05510	21.7
57.07059	9.9
59.04998	7.1
64.15366	3.0
65.03923	5.3
67.05498	31.4
69.03400	6.2
69.07056	27.2
70.52129	3.9
79.05483	29.8
81.07046	37.9
83.04970	7.2
83.08604	12.1
85.06506	7.9
91.05467	52.4
93.07041	66.1
95.04942	13.6
95.08592	48.7
97.06519	7.4
103.05420	5.7
105.06339	5.5
105.07017	78.5
107.08582	54.1
109.06508	10.2
109.10146	25.2
111.08097	3.9
115.05432	10.3
116.06243	3.7
117.07004	22.5
119.08569	100.0
121.06512	7.2
121.10127	73.0
123.08082	10.0
123.11683	11.4
125.09567	4.5
128.06218	13.2
129.06998	18.5
130.07719	8.5
131.08549	43.4
133.06438	4.0
133.10104	51.3
135.08051	8.9
135.11667	21.8
137.09605	10.6
139.11176	3.6
141.06985	11.4
142.07771	29.0
143.08539	51.3
144.09334	8.6
145.10101	54.8
147.08015	17.5
147.11707	21.3
149.09621	11.9
149.13246	5.1
151.07497	12.8
153.07002	5.1
154.07745	5.7
155.08501	16.5
156.09340	14.8
157.10100	61.7
158.10840	10.9
159.08060	5.4
159.11707	29.3
161.09566	7.7
161.13162	6.5
163.11171	9.8
165.06956	7.7
165.09132	18.8
166.07771	4.2
167.08528	14.1
167.10646	49.3
168.09271	9.8
169.10094	38.1
170.10941	11.8
171.11646	39.1
173.13210	23.0
175.11157	3.7
175.14870	15.9
179.08536	13.7
180.09346	5.0
181.10103	18.3
182.10834	8.8
183.11681	37.9
184.12375	8.0
185.13268	19.3
187.14841	10.6
189.12666	6.0
191.14325	11.4
192.09293	8.4
193.10133	14.9
194.10876	14.6
195.11667	21.8
196.12428	5.5
197.13286	22.7
199.11172	5.3
199.14783	20.6
201.16397	6.4
203.14308	9.4
205.10086	8.3
206.10919	8.4
207.11649	23.9
207.13576	6.8
208.12411	6.0
209.13222	31.7
211.14737	12.6
213.16307	6.5
215.14294	8.6
217.15833	12.4
219.11646	10.1
219.17392	4.0
220.12389	7.5
221.13196	17.7
221.15349	39.6
222.13899	6.2
223.14868	21.8
225.12794	4.6
225.16394	4.5
227.18062	3.6
231.11613	10.6
232.12444	3.7
233.13261	9.5
233.15407	13.4
235.14772	15.0
237.16406	10.5
241.64247	3.6
245.13165	7.8
246.14049	4.3
247.14792	9.8
249.16273	11.1
250.17068	5.6
251.18112	5.0
253.15622	3.8
255.17297	4.8
255.89622	4.0
257.13220	4.4
257.18994	6.2
258.14188	4.0
259.14822	5.2
260.15485	7.1
261.16348	12.7
263.17914	8.3
265.19620	7.9
271.14572	5.2
273.16238	7.5
274.16852	4.4
275.17914	10.0
283.20520	15.2
289.19382	4.7
299.20184	6.5
301.19263	5.7
307.20456	4.1
331.24289	5.3
349.25073	11.6
375.26874	4.9
387.52542	4.1
491.34988	5.9
565.40021	24.2
583.41364	76.7
584.41718	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	21.3
56.18720	7.3
57.07050	10.0
67.05493	24.1
67.18232	7.5
69.03409	11.8
69.07050	25.4
69.23281	48.8
79.05485	36.0
81.07056	50.1
83.08628	10.4
85.06486	13.6
91.05473	62.3
93.07014	63.5
95.04960	21.4
95.08592	43.9
105.07013	96.7
107.08578	64.2
109.06458	10.0
109.10128	26.3
117.06944	14.5
119.08562	92.5
121.10128	55.8
123.08046	15.5
128.06226	21.8
129.06972	24.6
130.07765	9.2
131.08543	53.8
133.10069	55.8
135.08022	18.2
135.11667	17.3
137.09610	9.6
141.06960	13.3
142.07727	29.1
143.08537	48.6
144.09380	12.3
145.10081	48.7
147.07974	22.1
147.11671	28.5
149.09657	10.9
149.13176	11.5
151.07486	11.4
153.06932	10.1
155.08549	27.5
156.09288	27.3
157.10095	64.4
159.11658	25.1
161.13255	9.0
165.09073	41.4
167.08528	18.4
167.10663	13.0
168.09332	15.4
169.10086	37.5
170.10822	16.0
171.11659	36.8
173.13268	33.7
175.14839	14.1
179.08507	16.1
180.09286	17.8
181.10202	20.5
183.11610	42.5
184.12440	11.4
185.13188	25.2
187.14728	11.9
193.10062	20.6
194.10925	23.5
195.11665	27.3
197.13191	26.3
199.14850	17.2
206.10863	11.5
207.11617	36.2
208.12447	16.1
209.13255	33.6
210.14049	11.9
217.15820	10.4
219.11665	12.5
221.13219	20.5
221.15324	65.7
223.14790	17.8
225.16267	9.9
233.13177	15.4
235.14871	16.5
245.13075	12.3
246.14149	11.3
247.14722	24.0
247.17056	9.7
249.16379	10.1
253.19257	9.0
257.18945	10.3
263.17868	11.3
275.17902	11.8
281.18854	10.6
283.20474	13.2
491.35287	10.0
499.36771	8.3
565.40033	14.8
583.41205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	22.4
57.03422	10.7
61.34153	6.7
67.05497	48.7
69.07055	18.0
69.84925	6.4
70.08104	16.6
79.05480	44.8
81.07056	47.3
83.08613	6.9
85.06599	8.2
89.06015	10.0
91.05473	43.7
93.07042	46.2
95.08614	40.2
105.07027	44.9
107.08565	26.5
109.10168	18.2
117.07003	16.7
119.08562	50.1
121.10120	30.8
129.06963	8.2
131.08554	29.6
133.08617	8.4
133.10107	29.5
135.11691	15.1
143.08519	11.1
145.10103	25.6
147.11644	20.5
147.32829	8.4
149.13206	10.9
157.10159	16.6
159.11710	21.3
169.10129	12.3
171.11659	9.8
173.13184	19.5
175.14749	8.9
185.13358	9.3
211.14670	12.7
215.17976	7.3
231.17404	8.0
239.17903	10.7
241.19591	8.7
249.10616	6.5
259.20630	16.3
307.22745	16.3
333.24130	9.9
341.19482	7.1
565.42377	9.6
583.43347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07083	7.6
71.42782	4.9
74.31634	4.6
85.02896	11.0
86.29807	4.5
102.03714	4.3
113.02349	70.3
125.02328	11.5
133.02847	9.3
140.04643	23.8
145.74300	5.3
153.05482	19.8
162.03159	11.2
164.04739	7.3
165.05548	9.1
167.03349	30.2
177.05498	28.7
192.04144	16.6
193.04982	28.9
205.04935	91.0
207.06516	87.5
221.05991	25.9
226.06134	4.7
237.05495	7.6
238.06125	5.2
245.04544	6.6
249.05516	12.5
255.06482	9.4
260.16541	5.5
261.07471	5.0
265.04971	19.1
266.05609	5.6
269.08118	5.8
275.09204	9.7
277.07071	4.4
279.06662	6.1
283.05988	6.5
293.04263	10.2
297.07587	35.6
303.08655	11.0
304.09357	26.7
313.06912	4.8
325.07034	76.1
326.07632	8.6
339.08478	7.1
357.09610	100.0
385.09128	84.4
399.10803	14.3
417.11584	6.8
425.15598	4.9
449.27295	5.7
453.15131	6.1
467.17014	16.5
535.23480	13.4
585.21149	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.7
56.35620	3.6
57.03426	5.2
61.02904	4.7
67.05491	11.9
69.03416	15.4
69.07047	9.9
70.06578	7.8
71.04972	14.1
71.06087	4.2
72.08112	3.5
73.46203	3.6
75.57274	3.9
77.00596	3.4
79.05485	8.5
81.03388	4.7
81.07047	36.5
83.04958	19.5
83.08631	4.3
85.02903	41.9
90.60251	3.3
91.05472	13.9
93.07010	13.2
95.04965	6.5
95.08572	22.4
96.54997	3.4
97.02880	13.1
97.06514	19.9
99.04424	10.8
99.08065	12.1
105.07011	14.2
107.08591	22.4
109.06481	13.6
109.10158	46.8
110.47928	3.4
111.08075	6.9
113.05978	6.3
115.03921	3.5
118.03217	5.3
119.08572	25.2
119.82784	3.8
121.10130	73.6
123.08059	54.5
123.11745	8.0
125.09608	9.9
127.03889	6.4
127.07534	3.7
133.10092	14.2
135.11664	14.0
137.09607	40.2
137.13205	5.9
145.04987	7.6
145.10118	10.5
147.05814	9.8
147.11696	20.6
149.07443	5.0
149.09583	23.4
151.07520	12.4
151.11153	13.1
151.14767	8.8
153.09074	6.3
155.10643	8.8
161.13295	31.7
163.11182	28.8
164.11263	3.5
165.12704	11.2
165.43509	3.4
171.11687	7.7
177.03166	6.0
179.14301	20.1
181.12221	72.0
189.12715	51.2
189.53392	3.6
195.13870	3.5
207.13776	100.0
225.14833	93.0
231.02118	3.3
231.04300	11.3
243.15872	79.8
325.10089	29.6
454.14264	4.8
584.19550	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	585.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
57.07083	1.6
59.04978	1.2
60.91484	0.9
64.46609	1.0
67.05494	4.0
67.97402	1.0
69.03429	2.4
69.07050	2.4
70.30802	1.0
79.05502	3.1
81.07039	6.0
83.08616	1.1
91.05486	5.2
92.05798	1.5
92.42116	1.1
93.07019	7.2
94.07368	2.2
95.04947	3.4
95.08605	6.3
96.05282	1.3
96.67069	1.1
105.07008	11.7
106.07346	2.4
107.08568	6.2
109.06531	2.0
109.10171	2.9
117.07008	3.1
118.07343	1.3
119.08570	10.6
119.49387	1.2
120.08928	3.2
121.10127	4.4
122.10454	1.9
123.08033	2.4
127.09119	1.0
128.06187	1.4
129.06953	1.2
131.08572	3.5
133.10114	4.5
134.10460	2.5
135.08028	1.9
135.11720	3.1
137.09616	3.0
142.07753	1.8
143.08551	4.0
144.08908	1.1
145.10104	7.4
146.10455	3.0
147.08051	4.7
147.11642	2.3
148.08365	1.3
151.07579	3.0
152.07910	1.3
155.08557	1.7
156.09207	1.0
157.10141	5.2
158.10506	2.1
159.11696	3.9
161.13171	1.4
165.09056	8.1
166.09441	3.4
169.10132	2.1
170.10703	1.3
171.11673	3.3
172.11929	1.3
173.13339	2.1
174.13632	1.3
181.10188	1.2
181.12283	1.1
182.10689	1.0
183.11684	2.1
184.12282	1.7
185.13347	1.1
195.11708	1.1
196.12151	1.6
197.01518	1.0
197.13292	1.5
203.14316	2.6
204.14702	1.3
204.20795	1.1
207.11443	1.4
209.13295	2.0
220.12326	1.2
221.15317	18.7
222.15640	11.4
235.14568	1.2
248.58379	1.0
268.45172	1.0
344.91229	1.2
399.14404	2.2
400.15161	5.7
410.14661	1.0
411.14368	2.4
412.15372	2.0
413.16150	4.2
414.16565	1.5
425.16122	1.7
428.18442	3.2
429.19235	1.5
451.10410	3.4
453.15717	2.3
456.17773	2.2
465.11786	3.6
466.12637	10.4
467.13199	1.9
479.13782	1.4
480.14441	3.4
481.14890	12.2
482.15436	2.3
492.35394	1.5
494.13068	1.2
495.16666	6.1
496.17480	6.2
497.14572	1.7
509.14380	13.1
511.19370	2.5
523.16162	4.5
524.16663	2.3
528.16278	1.9
539.19208	100.0
540.19476	10.0
557.20282	30.5
558.20331	3.1
580.21796	2.3
584.41779	3.7
585.19714	82.1
586.19958	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	585.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.4
55.05501	2.2
56.96556	43.1
67.05497	4.5
69.07065	1.6
70.06613	1.2
72.96037	1.3
79.05477	5.8
81.07048	5.7
83.08604	1.3
84.54337	1.4
84.96030	4.7
88.72618	1.2
91.05445	8.0
93.07035	9.8
94.07369	2.0
95.08591	5.4
97.06509	1.4
98.91920	3.5
98.97566	100.0
105.07001	12.1
106.07369	2.6
107.08588	6.0
108.08930	1.7
109.06479	3.2
109.10157	4.1
110.97565	6.5
112.99110	31.6
116.98595	49.6
117.07002	2.9
119.08562	10.9
120.08955	1.8
121.10161	4.0
123.08062	2.6
124.99034	1.9
128.98576	7.9
129.06996	1.7
131.00142	49.4
131.08569	3.9
132.08894	1.8
133.10132	5.9
134.10480	1.5
134.99631	19.0
135.08083	1.7
135.11702	2.1
136.08380	1.5
137.09587	3.7
140.00180	3.4
140.98590	3.4
142.07686	2.4
143.00150	14.5
143.08572	1.7
144.08905	1.5
144.98051	2.2
145.10085	8.5
146.10448	1.7
146.99643	5.5
147.08014	5.1
147.11601	1.5
149.01199	45.5
154.01801	2.0
155.08479	1.6
157.01762	2.2
157.10091	5.2
158.10617	1.8
158.99626	44.2
159.11647	3.9
160.12000	1.7
161.01201	13.8
161.13206	1.5
165.00751	1.7
165.09036	7.7
166.09422	1.7
167.02307	5.9
170.10631	1.7
170.99649	4.3
171.11650	3.6
172.02834	1.6
173.01205	9.7
173.13237	2.8
175.02811	2.1
177.00674	53.2
183.11562	2.0
185.01231	5.8
188.15208	1.6
189.00693	4.7
191.02238	8.0
195.01767	3.9
199.02768	12.7
200.02304	3.8
203.02263	7.3
203.14337	3.9
204.14668	2.6
209.01173	5.1
209.13300	2.1
215.02281	4.5
217.03732	6.2
219.01694	12.0
221.15318	14.2
222.13828	1.5
222.15581	6.4
223.16187	1.7
227.02271	2.1
233.03334	2.4
237.02788	9.8
275.04315	27.1
289.14682	95.2
290.15009	2.3
291.03641	1.8
293.05371	68.7
307.15735	62.8
309.04910	2.3
311.06430	13.9
316.07065	5.4
325.16693	2.5
330.17285	8.3
334.07983	2.7
349.16785	22.3
363.18268	6.6
375.18472	2.7
469.21103	5.0
509.26846	2.9
525.23633	59.7
584.41492	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	585.2672
Annotation	Ananolignan M
Peak:m/z	Relative Intensity
51.23152	1.6
66.76974	1.4
67.47066	1.7
69.87037	4.2
69.87392	2.3
70.06556	1.4
71.03255	1.3
71.14618	1.5
74.74206	1.6
91.05507	1.6
115.59209	1.5
122.17621	1.5
127.05293	1.5
134.15483	1.5
154.57344	1.7
155.80244	1.6
156.41467	1.8
226.10918	1.8
241.13324	12.9
269.12714	3.1
303.90936	1.8
350.69412	1.9
385.48108	2.0
483.21887	3.9
495.75900	2.1
537.31061	2.0
557.27087	5.1
585.26715	100.0
586.27301	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	585.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05447	0.4
67.14534	0.4
79.05419	0.4
79.73773	0.4
81.07003	0.6
91.05402	0.8
93.06963	1.2
95.04915	0.4
119.08479	0.5
127.35616	0.4
132.56502	0.4
133.06390	0.5
137.05951	0.9
167.06961	0.8
175.54549	0.4
203.05159	0.9
245.06242	0.6
275.07199	1.0
287.05298	0.4
305.08347	4.9
321.29965	0.4
363.08908	11.9
365.10498	58.0
366.10831	1.1
585.28778	100.0
586.29071	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	585.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.7
79.05482	0.9
85.02873	0.9
87.03582	0.7
95.05010	0.9
95.78278	0.6
100.50357	0.8
105.07033	1.9
111.04468	0.9
131.04884	1.0
133.06476	1.9
137.05992	2.3
149.05984	0.9
151.03932	1.1
151.07556	0.9
153.05435	1.7
161.06033	2.5
167.07074	2.2
167.21280	0.7
177.05569	1.0
181.04922	1.9
187.07568	1.9
190.14197	0.7
209.08141	1.4
291.19629	1.0
305.08459	2.5
339.12231	3.3
341.13464	1.0
363.08939	39.4
364.09259	1.1
365.10483	27.3
421.38953	0.9
501.23187	2.8
585.28802	100.0
585.89008	0.8
586.29327	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	585.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99635	48.6
67.05508	100.0
70.88631	40.2
79.05490	78.8
93.07049	95.6
95.08617	78.3
181.45117	53.0
250.63089	49.7
282.81845	51.8
332.79184	49.0
404.32758	54.0
496.19901	47.8
497.47858	49.1
505.35498	49.5
585.45386	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	586.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.3
53.03932	0.3
53.20182	0.2
55.01866	0.6
55.05511	1.1
57.03421	0.9
61.02923	1.0
65.03927	2.1
67.05490	0.2
69.03414	3.0
69.76070	0.7
71.04974	0.7
71.53287	0.2
73.02894	0.3
81.03392	0.8
81.07014	0.3
83.08601	0.3
84.04504	0.3
85.02889	12.4
87.00820	0.2
87.04445	0.3
91.05463	100.0
92.05799	1.2
95.08601	0.2
97.02876	9.8
98.23443	0.2
99.04430	0.7
100.11224	0.8
105.07024	0.5
107.08614	0.2
109.02861	1.1
111.04374	0.2
115.03915	0.8
117.06965	0.5
127.03895	2.5
128.06183	0.3
129.06944	0.5
133.06468	0.4
137.02316	0.8
137.06010	0.3
143.03339	0.2
143.08572	0.4
145.04932	4.7
145.06541	0.4
145.08557	0.4
153.07001	0.4
157.06476	0.3
161.04442	0.5
163.05980	1.3
167.03391	1.4
171.08055	0.4
182.15411	0.5
210.14879	0.2
214.63300	0.2
217.08626	0.6
227.07024	0.6
227.13074	0.3
228.13759	0.4
234.07504	0.2
235.09511	0.4
237.14342	0.4
245.08043	2.9
252.08676	0.7
257.17804	0.2
283.13290	0.2
332.21582	0.2
341.22357	0.4
341.72287	0.5
350.22757	0.6
350.72949	0.5
359.73389	0.4
431.13519	0.2
567.88391	0.3
576.39331	0.4
576.89728	0.6
585.39990	4.1
585.90167	8.0
586.29675	0.9
586.40350	2.5
586.90588	0.3
587.30371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01868	2.4
57.03439	3.8
59.05004	1.1
61.02917	4.0
65.03934	2.3
69.03065	1.0
69.03420	13.8
70.06579	1.5
71.04967	1.9
72.08163	0.8
73.02899	2.0
74.18130	0.8
81.03412	5.1
85.02894	60.1
86.09673	0.9
87.04473	1.9
91.03967	3.8
91.05467	100.0
92.05798	1.0
97.02882	19.2
99.04453	2.2
100.11259	0.9
103.03905	0.9
107.04901	1.1
109.02879	5.2
113.55958	0.9
115.03911	22.7
127.03900	16.1
133.04927	2.2
145.04938	26.1
146.05231	1.0
147.04382	1.2
151.07562	0.8
161.05977	1.4
163.06013	7.1
167.03365	1.8
173.14339	0.8
179.03546	0.9
179.07066	1.1
187.06157	0.8
193.08488	1.4
200.88725	0.8
221.35394	1.0
233.04413	1.3
245.04277	1.0
245.08076	5.0
259.08099	1.6
269.07925	2.7
282.23328	0.8
293.08118	1.3
311.09106	0.9
323.09167	2.6
353.10052	1.1
371.10938	1.2
586.30219	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.6
61.87299	1.8
63.15474	2.3
67.05512	2.1
69.39545	9.9
70.06593	5.5
72.08153	2.1
76.87717	2.2
79.05476	8.1
81.07080	2.9
83.05019	2.2
83.44963	2.2
84.08141	2.3
85.02899	8.5
86.09696	3.8
91.05482	4.6
95.04963	4.8
97.02896	5.7
98.23466	4.4
103.05473	7.0
105.07037	3.8
107.04938	18.6
109.02929	2.1
109.06471	2.4
115.05424	5.3
117.07030	3.0
119.04929	4.0
122.03663	5.4
123.04448	2.7
128.06204	5.6
129.06995	16.5
131.04945	14.7
131.08574	7.6
137.05956	96.9
141.07013	4.7
143.04932	2.3
144.05629	3.3
145.05008	2.4
145.06479	4.6
147.08037	2.4
149.05901	3.1
151.07545	4.0
156.05711	18.6
157.06459	16.6
159.08025	9.9
160.05223	5.9
161.05965	9.0
163.07545	6.8
167.07021	62.7
169.06448	3.5
172.05205	2.9
173.05881	9.8
174.06766	4.9
175.07539	17.0
179.07024	4.8
180.08691	3.0
185.05991	6.0
187.07506	36.8
189.09084	17.9
190.06351	4.0
191.06981	3.2
202.06168	3.5
203.08589	3.9
205.08534	13.4
209.08182	5.7
217.06415	5.1
217.08556	100.0
219.10062	12.9
221.09648	3.0
231.08018	4.2
233.09586	3.7
234.06885	3.0
235.09897	2.3
245.11194	2.9
247.07535	2.3
247.09718	14.0
249.09042	5.3
250.10040	3.8
261.09125	5.5
263.07123	2.4
263.10715	2.4
266.09344	3.4
277.08527	7.4
278.09323	3.2
281.11816	4.0
285.07611	3.8
289.08417	2.5
293.08420	2.8
293.11636	8.0
295.09647	3.1
300.09906	6.7
301.10660	4.2
306.08847	2.5
307.09714	2.4
309.11270	7.9
321.11145	11.1
326.11505	8.0
341.13828	29.3
353.13760	35.6
371.14865	50.9
371.19238	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	586.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
69.03410	4.8
69.43584	6.9
70.06573	4.4
72.29004	1.4
79.05495	10.3
81.07039	2.5
83.04961	1.5
84.08136	3.5
84.95876	1.5
85.02913	7.4
91.05473	4.4
94.04167	4.6
95.04949	4.4
97.02890	3.7
102.09158	7.7
103.05469	6.8
105.07005	2.1
107.04937	27.9
108.64134	1.4
109.06440	2.2
115.05444	4.1
116.06252	1.5
117.03368	1.5
117.07009	3.1
122.03648	5.8
123.04408	3.4
124.05193	5.1
125.05959	2.7
127.03849	1.8
128.06216	6.5
129.06999	16.7
131.04926	9.2
131.08534	4.4
133.06511	1.5
137.05957	100.0
140.04707	2.0
141.06932	1.9
143.04912	5.2
144.05661	9.5
144.06613	1.6
145.04973	2.1
145.06483	7.3
147.04398	1.8
147.07951	2.0
149.05930	2.3
151.03941	1.9
152.04649	3.1
153.05440	3.3
155.04877	1.6
155.07091	1.9
156.05650	11.3
157.06467	21.7
158.07262	1.7
159.08003	9.1
160.05208	6.3
161.05972	5.8
162.07564	2.5
163.07556	4.2
167.07008	79.4
168.07175	2.0
169.07544	1.5
172.05164	4.6
173.05904	7.9
174.06808	8.6
175.07524	34.3
176.90062	1.5
177.05470	1.8
177.90399	1.4
179.07011	2.2
180.08696	2.4
182.45964	1.4
183.06467	1.8
185.05869	6.8
187.07518	47.1
188.08011	1.9
189.09074	21.8
190.06181	4.7
191.06981	1.5
202.06151	3.3
202.10587	1.9
203.08514	2.7
205.06754	2.3
205.08553	12.8
207.10078	2.5
215.06938	2.3
215.08777	1.7
217.08566	84.6
218.07214	2.6
219.08086	2.5
219.10103	12.8
221.09589	2.8
231.08014	2.5
233.09665	2.3
234.06665	3.4
235.07527	2.2
235.09662	4.0
239.06976	2.5
241.08554	2.4
247.09581	10.9
249.09192	7.0
249.11285	2.0
250.09775	2.0
251.06718	1.6
252.08006	1.7
255.72527	1.6
261.09085	9.6
262.06293	2.0
262.09738	1.5
263.06943	2.3
266.09372	4.0
277.08682	7.5
278.09305	4.4
279.06705	2.1
281.11667	4.4
285.07550	3.0
289.08530	5.2
291.10028	1.7
293.08411	2.1
293.11688	7.1
294.08618	2.2
295.09595	2.5
300.09943	9.5
301.10672	4.3
306.08716	2.8
307.09552	4.1
309.11279	9.1
311.08960	1.8
313.10669	1.7
321.11154	13.5
323.09033	3.7
326.11447	5.2
338.11258	2.8
339.11951	2.0
341.13794	32.5
353.13773	41.3
354.14288	2.7
371.14838	50.6
372.15222	2.4
389.15753	1.7
512.12469	1.3
585.37061	3.0
586.37152	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	586.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
65.03922	3.3
69.03410	2.2
69.07060	2.1
69.51104	6.4
70.06578	3.0
71.04980	2.4
75.04465	4.2
78.04709	2.5
79.05492	3.8
85.02889	6.6
91.05464	10.3
93.03400	12.8
93.07029	7.2
93.50938	1.8
95.04945	5.6
97.02888	2.6
97.06525	4.2
98.22739	3.1
103.05439	8.1
105.04469	2.0
105.07003	8.7
106.04166	30.5
107.08588	5.2
109.02840	1.9
115.05403	2.4
119.04896	2.8
121.06492	38.3
121.10136	5.3
125.05997	5.9
131.04901	3.3
133.02803	3.9
133.06488	4.9
134.03651	4.5
135.11583	1.8
137.05981	8.1
139.07487	3.3
145.10155	2.6
147.04402	3.2
148.05202	2.0
149.05957	51.2
151.07533	4.0
153.09067	14.0
155.25548	1.8
161.05940	11.8
163.07573	4.2
163.11171	6.6
165.05452	1.9
167.10684	2.1
169.08527	4.4
177.05470	26.6
181.08577	24.1
181.12242	1.8
191.07033	13.1
191.10706	5.0
193.08569	6.6
209.08064	100.0
227.12755	16.6
227.16367	4.0
245.13591	1.8
319.31326	1.8
321.73636	1.9
587.17322	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	586.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
57.07068	32.9
69.07062	3.0
71.08620	25.5
73.06545	7.3
76.78106	0.9
80.91038	1.1
83.08605	2.6
85.10175	20.6
87.04459	6.9
89.06017	100.0
91.86192	0.9
95.08594	1.9
95.93824	1.0
97.10163	2.7
99.11739	3.6
106.02888	0.9
107.07052	2.5
113.13263	2.4
117.09109	6.2
119.08566	1.0
130.08635	1.1
131.07034	2.3
133.08582	48.8
155.17972	3.8
161.11650	1.0
177.11180	19.9
177.12563	1.8
186.42720	1.0
199.20578	2.8
221.13832	2.2
239.14922	1.6
243.23212	7.3
252.98351	1.1
283.17465	1.1
287.25757	3.0
327.20245	1.0
415.25436	2.6
448.28046	1.1
569.42169	4.3
586.44952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56190	0.7
69.50871	2.1
84.08081	0.6
98.97578	1.7
111.94593	0.7
115.03893	0.8
116.98608	1.3
130.60085	0.8
138.50748	0.7
219.01788	1.6
237.02840	2.5
365.05508	1.9
371.06546	3.1
415.19940	0.8
435.25156	0.9
446.92111	0.8
587.13654	100.0
588.14050	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	587.1731
Annotation	Amarogentin
Peak:m/z	Relative Intensity
56.96564	0.6
57.56306	0.6
61.00198	0.6
65.03940	0.7
67.65852	0.6
69.03424	0.7
69.07059	2.5
70.06577	1.6
70.08992	0.7
70.26514	0.7
70.26846	0.8
71.04977	1.1
84.08154	0.8
84.96973	0.5
85.02885	3.2
86.09695	2.5
91.05471	1.8
93.03390	1.6
93.07039	1.1
94.07382	0.7
95.04956	0.9
97.02877	1.4
98.22749	0.9
98.97562	1.7
99.04453	1.2
103.05429	0.7
105.06998	0.8
106.04170	4.0
107.08583	1.0
109.02872	1.0
109.10143	0.7
109.61125	0.7
111.11705	1.2
112.50065	0.6
121.02890	0.6
121.06487	2.8
121.10120	1.0
122.06841	1.3
125.05991	0.9
127.03905	0.7
133.02742	0.7
137.05971	0.9
147.04393	1.3
149.05954	5.2
149.88539	0.8
150.06279	1.9
152.07286	0.6
153.09087	1.9
154.09355	1.0
161.06024	2.0
163.03821	0.7
165.09076	0.7
177.05447	2.9
178.05782	1.0
181.08627	2.6
182.08971	0.9
191.07042	1.8
193.08388	0.7
209.08060	11.9
209.11510	0.6
209.15361	5.0
210.08412	4.3
210.15710	1.8
219.01735	0.7
227.12782	1.9
227.16316	4.3
228.13217	0.7
228.16824	1.3
228.19719	0.6
235.02707	0.8
237.02831	0.9
253.03926	0.7
287.33221	0.7
397.07904	0.9
415.08960	0.8
447.17450	0.6
453.78476	0.7
587.17206	100.0
588.17407	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	587.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
60.34890	0.7
64.64780	0.7
65.03915	1.3
70.41286	0.7
71.00127	0.6
72.20274	0.7
78.04710	2.1
79.05476	1.7
88.91636	0.8
91.05463	4.1
93.03356	1.8
93.07017	1.8
95.04961	1.2
96.01439	0.7
103.05474	1.1
105.07009	1.0
106.04179	4.2
107.04932	1.6
119.04918	2.8
121.06500	6.3
123.04398	3.7
124.05190	1.8
125.05982	2.1
131.04918	1.4
132.70447	0.9
133.06491	0.9
134.03688	1.0
137.05974	8.6
142.65634	0.7
149.05948	6.8
151.03920	6.1
151.05026	1.3
151.07529	4.7
152.04613	1.2
153.05423	1.2
153.09088	1.4
161.05975	4.8
161.09698	1.0
163.07483	2.0
165.05478	1.3
167.07021	100.0
168.07338	2.2
177.05423	4.6
179.06992	1.3
181.08575	14.1
189.09059	1.2
193.08589	3.7
207.96381	0.7
209.08107	12.2
211.09665	10.3
256.45325	0.8
309.17245	0.9
360.15289	1.3
361.15692	1.4
371.79556	0.9
381.08344	0.7
405.55838	0.9
587.30255	7.8
595.39581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01622	0.3
55.01867	5.7
57.03426	0.7
59.04999	1.5
61.02923	0.5
69.03061	0.5
69.03420	10.7
69.43927	1.2
70.45081	0.2
71.04967	0.5
73.02901	1.0
81.03403	3.6
85.02893	6.4
87.03920	0.2
87.04453	5.5
91.03941	0.3
97.02880	13.5
98.22609	0.4
99.04444	1.3
109.02284	0.3
109.02875	3.5
109.21607	0.3
111.04422	0.4
112.81341	0.3
115.03912	100.0
116.04260	1.1
127.03900	7.6
130.35025	0.3
133.04950	13.8
145.04935	4.2
163.05980	0.4
169.04921	0.5
170.25333	0.3
175.06000	0.7
187.06004	1.3
211.06000	0.8
217.07022	0.7
223.06041	1.3
229.07059	1.2
241.07056	2.4
259.08090	12.9
277.09143	12.6
278.09711	0.3
301.09149	0.7
330.26584	0.3
337.09235	0.4
355.09979	0.8
373.11298	3.5
385.11081	0.5
391.12106	0.9
481.13364	0.6
499.14609	0.7
517.15100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
53.42642	0.3
55.01862	5.5
57.03425	0.7
59.05011	1.5
59.05241	0.3
60.02481	0.3
61.02917	0.4
69.03418	11.2
69.03796	0.6
71.04964	0.5
71.18311	0.4
73.02898	1.0
81.03402	4.4
85.02895	4.9
87.04450	5.4
97.02876	12.8
99.04443	1.2
100.85019	0.3
109.02857	4.4
111.04390	0.4
115.03910	100.0
116.04250	1.3
117.62533	0.3
123.04375	0.3
127.03009	0.6
127.03894	6.8
127.57975	0.3
133.04944	12.1
145.04927	3.2
151.03903	0.6
167.30272	0.3
169.04918	0.8
169.34857	0.3
175.06049	0.6
187.05988	1.2
199.05969	0.6
205.04953	0.5
211.05875	1.4
217.07068	0.7
223.06003	1.5
229.07098	1.6
241.07039	2.9
255.50085	0.3
259.08087	10.4
277.09137	11.5
301.09171	2.1
337.08783	0.6
355.10028	1.0
367.10022	0.5
373.11212	2.2
385.11154	0.7
391.12381	0.4
403.12390	0.3
481.13300	1.3
499.14267	1.3
517.15332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
53.43590	0.3
55.01866	4.4
56.25304	0.3
57.03426	1.0
59.04988	1.4
61.02913	0.7
69.03426	9.0
69.51383	0.8
71.05000	0.4
73.02890	0.7
81.03412	2.5
85.02903	7.3
87.04457	4.7
97.02888	12.7
99.04421	0.9
103.46213	0.3
109.02866	3.1
111.04396	0.3
115.03922	100.0
116.04270	1.0
127.03913	5.6
133.04958	15.7
145.04958	3.6
148.14671	0.3
154.28374	0.3
187.06052	1.4
199.06104	0.5
205.06940	0.3
211.05884	0.5
217.07065	0.6
223.05952	0.8
229.07109	1.5
241.07071	2.9
244.61015	0.3
259.08127	12.0
277.09155	13.2
355.10306	0.8
373.11349	4.6
391.12369	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68705	0.2
53.03937	0.7
55.01616	0.4
55.01868	5.2
57.03425	1.0
59.04995	1.6
61.02934	0.3
66.39104	0.2
69.03423	9.9
69.83192	0.3
71.43113	0.3
73.02915	0.9
81.03415	2.9
85.02897	7.8
87.04459	4.6
96.78365	0.2
97.02885	14.5
98.36687	0.3
99.04455	1.2
109.02872	2.7
115.03921	100.0
116.04267	1.0
127.03899	5.5
133.04959	19.3
145.04956	3.5
153.55284	0.3
157.04959	0.3
163.06007	0.5
163.91660	0.3
169.04878	0.3
175.06000	0.5
187.06032	1.0
205.06993	0.3
223.06078	0.3
241.07100	1.9
241.27914	0.2
259.08109	13.3
277.09146	22.2
295.10260	0.3
300.54468	0.3
409.13449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30920	1.7
56.75002	1.8
57.03440	3.2
61.98356	1.7
65.30671	1.7
69.03423	3.7
70.65578	3.1
71.04990	20.0
75.04470	2.9
76.53835	2.0
79.05486	3.1
81.03395	3.0
83.04959	5.1
85.02898	42.7
91.05479	15.6
93.03392	3.1
95.04958	4.0
97.02883	7.3
103.05460	13.0
105.04494	2.1
105.07031	7.5
106.04159	7.4
107.04935	14.4
115.03930	3.3
119.04968	3.3
121.06494	10.8
123.04447	2.5
125.06001	2.6
127.03916	4.7
129.05479	15.4
129.07007	6.9
130.96423	1.9
131.04921	11.1
131.08563	2.9
132.05692	2.8
133.06473	3.4
135.08060	5.3
137.05952	7.5
139.07613	2.4
145.04991	3.5
145.06519	3.9
146.07242	3.7
147.04440	3.1
147.06499	9.4
148.05200	6.7
149.05978	14.2
151.03935	3.0
151.07587	6.1
157.06461	5.2
160.05330	2.0
161.05966	100.0
161.09613	30.2
162.06441	2.2
163.03894	3.7
163.07492	19.4
165.09091	2.3
167.07028	38.2
167.08406	1.9
170.36711	2.1
174.06776	3.3
175.07549	7.6
177.05463	8.3
179.06987	3.1
180.07820	4.0
181.08537	19.9
189.09081	62.8
189.10788	3.2
191.06943	15.4
192.07787	6.7
193.08583	6.1
193.24153	2.0
207.10138	95.5
208.86330	1.9
209.08096	19.9
219.10164	5.6
225.09125	2.4
257.11618	2.0
275.05560	2.7
285.11148	4.0
315.12503	2.3
317.13873	5.9
341.13782	4.3
343.15265	6.0
361.16412	36.2
373.16257	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	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
57.03435	3.8
69.03426	4.4
69.59016	4.9
70.29241	1.5
71.04993	25.3
73.02919	2.1
75.04488	3.6
79.05490	3.2
81.03416	2.1
83.04976	3.8
85.02901	49.3
91.05499	9.7
93.03397	2.7
93.07043	4.2
95.04977	2.3
97.02879	2.7
98.22735	3.0
99.04433	1.8
103.05491	9.2
105.07010	5.8
106.04166	6.2
107.04938	16.2
111.04392	2.8
115.05466	2.8
117.07070	3.3
119.04906	4.1
121.06519	11.2
125.05980	2.1
127.03899	5.3
129.05482	15.4
129.06987	4.7
131.04915	8.3
131.08511	2.4
132.05670	2.6
133.06471	5.1
135.08008	3.4
137.05983	10.8
145.04942	3.4
145.06409	1.9
146.07257	3.9
147.04387	2.3
147.06461	12.0
148.05161	5.3
149.05963	14.4
151.07550	3.0
153.05428	1.9
157.06500	6.2
161.05963	81.9
161.09560	19.5
163.03850	2.3
163.07510	18.2
165.05545	2.4
167.07019	28.7
173.06021	2.0
174.06703	2.8
175.07542	5.8
177.05472	7.3
177.71326	1.9
179.07037	3.8
180.07791	6.0
181.08594	23.9
189.09081	55.7
191.06934	11.3
192.07809	7.4
193.08537	5.2
207.10143	100.0
208.10597	1.9
209.08101	17.6
213.64685	1.6
219.10168	4.2
285.11127	3.6
309.11542	3.4
315.12167	3.2
317.13730	5.3
343.15460	10.7
361.16422	35.8
373.16428	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	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.4
55.50765	0.6
57.03421	0.7
68.37559	0.6
69.03429	0.6
69.17905	0.9
69.18300	2.6
70.06577	0.7
77.03927	0.6
79.05483	4.2
83.91728	0.5
84.26475	0.6
85.02877	1.5
91.05473	5.8
93.07036	0.8
95.04942	1.9
97.10809	0.5
103.05450	6.5
105.07021	17.8
106.32545	0.6
107.04949	3.1
108.05733	1.2
109.06504	0.8
111.00399	0.6
111.04498	0.6
115.05443	1.8
118.04156	4.9
119.04917	4.8
120.05698	1.2
121.06483	2.3
122.07289	1.0
123.04422	1.2
123.08036	1.5
124.05208	1.3
125.05980	0.7
131.04900	8.5
133.02821	5.7
133.06462	16.8
134.07214	1.2
135.04402	1.9
135.08025	3.7
137.05943	8.8
146.03569	1.4
147.04408	4.0
148.05110	1.2
149.05923	2.9
150.06744	11.7
151.07535	4.8
161.05916	3.6
162.06770	0.8
163.03790	0.6
163.07523	10.4
165.05443	1.5
165.09097	12.6
167.07036	10.6
178.06252	1.9
179.06982	4.8
181.08658	0.8
189.05605	0.7
191.07066	0.7
193.08580	54.8
194.08957	1.7
195.10149	1.1
211.09627	100.0
211.58836	0.6
212.09941	3.3
213.11090	1.3
235.05432	0.7
341.13419	0.8
355.68704	0.6
361.16422	2.0
364.18906	0.7
588.18958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18921	0.9
55.01859	1.1
70.06566	1.3
70.79162	1.1
75.25900	0.8
79.05471	4.2
85.02884	2.7
91.05476	3.5
95.04975	2.2
103.05458	4.2
105.07018	16.1
107.04937	2.8
109.06482	1.9
118.04150	4.7
119.04947	4.6
121.06489	2.9
122.07269	1.1
123.04388	3.3
123.08051	1.4
124.05208	1.6
128.74982	0.9
131.04930	6.2
133.02837	3.6
133.06471	16.5
134.07208	1.0
135.04393	1.4
135.08011	2.7
137.05946	8.4
139.03873	2.5
146.03563	1.0
147.04396	4.0
149.05981	3.3
150.06732	10.2
151.07469	4.4
161.05930	2.9
163.03917	1.5
163.07513	14.0
165.05457	1.7
165.09096	11.0
167.07004	10.7
179.07028	4.9
181.08559	1.4
193.08565	50.4
195.10124	2.5
207.10265	0.8
211.09616	100.0
212.09998	2.9
213.11166	2.2
214.85239	1.1
233.08537	0.9
271.03531	1.0
297.11667	0.9
341.13776	1.3
361.16479	2.0
437.08719	1.4
449.08585	1.8
571.12146	1.1
588.26819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79139	9.2
67.05499	8.5
68.22264	9.0
69.70634	27.8
91.05482	14.6
98.22625	9.4
103.05459	8.8
109.74174	9.4
119.04909	14.4
131.04926	17.0
137.05963	100.0
147.04414	14.4
149.05890	9.4
151.07510	30.3
161.05931	52.1
167.07054	16.8
175.07509	16.4
179.07104	11.5
187.27992	8.5
189.09093	26.7
207.10159	16.9
219.10107	14.2
223.53004	8.1
223.93579	8.7
242.35205	8.4
253.08527	11.8
262.35995	8.1
265.08527	10.9
267.10156	9.8
297.11395	14.8
311.12744	17.9
329.13785	28.6
331.15262	16.1
349.10797	13.0
355.15219	18.9
588.30298	72.0
588.39832	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	0.6
69.93287	1.4
71.70975	0.4
79.05473	1.1
89.03860	0.5
89.40906	0.4
91.05479	4.7
93.06991	0.5
94.04166	1.8
95.04933	0.8
98.23364	0.6
100.08311	0.5
102.91544	0.5
103.05451	1.6
105.06992	2.4
107.04939	7.6
109.06470	0.8
114.81702	0.4
115.05443	5.1
117.03343	1.3
117.06989	2.1
118.04202	0.7
119.04954	3.3
119.08522	0.6
121.06501	2.3
122.03629	3.9
128.06139	0.9
129.06979	1.9
131.04950	2.8
131.08563	0.9
132.05685	0.8
133.06531	2.2
135.08043	2.1
137.05957	50.8
138.06319	0.9
141.03349	0.6
141.06926	1.3
143.04922	2.3
144.05705	0.7
145.02827	1.5
145.06435	1.3
146.03607	12.3
147.04411	2.3
147.08023	1.0
149.05965	3.6
149.09608	0.6
151.03845	1.5
151.07510	5.1
157.06448	1.3
158.07266	0.5
159.04343	1.2
159.08055	0.7
160.05162	4.7
161.05956	35.0
161.09586	2.0
162.06590	1.1
163.07516	8.9
165.07001	1.2
165.09067	0.5
166.07773	1.5
169.06451	1.1
173.09550	1.1
174.03098	1.5
174.06726	2.8
175.07516	12.9
177.05492	5.2
177.06937	0.8
177.09077	8.7
178.07790	1.6
179.07043	0.8
179.08562	1.1
181.06396	0.5
186.03125	1.0
186.06818	0.6
187.07556	1.0
189.05437	100.0
189.09023	9.4
190.02567	2.0
190.05763	2.2
190.07721	1.1
191.06912	1.0
191.08595	1.2
193.06474	1.1
193.10086	0.9
194.07217	3.6
195.07996	1.1
201.05324	6.8
201.09082	2.9
203.07028	4.3
203.08675	0.8
205.04912	14.1
205.06534	1.3
205.10085	1.6
206.07283	0.5
207.06425	2.0
207.08034	1.0
208.08792	0.9
209.05844	0.5
209.09599	1.0
210.06691	0.6
211.07439	1.0
215.08525	0.9
218.07181	1.0
219.06310	1.1
219.08185	1.1
219.10173	1.3
220.08727	0.7
221.05940	2.1
221.09572	2.2
222.06798	3.1
223.07420	0.8
223.11121	0.9
224.08260	0.8
225.09061	1.6
229.04915	2.7
231.06445	2.1
233.06133	0.6
233.09544	3.7
235.07506	1.8
236.08244	0.9
237.09055	3.9
239.06979	1.4
239.10742	0.8
240.07903	1.1
241.08615	0.6
247.05962	27.9
248.06177	0.7
248.08440	0.7
249.05292	0.6
249.09082	1.0
250.06177	1.4
250.09814	1.6
251.06955	1.3
251.10628	1.6
252.07851	0.7
253.08556	2.0
253.12157	1.8
256.07129	0.6
261.08884	2.2
262.09915	0.6
263.07013	0.7
264.07806	1.1
265.08530	7.7
265.12143	2.0
267.10159	1.9
268.07248	1.6
269.08026	1.7
270.08875	0.6
271.09485	0.5
278.09262	0.5
279.10083	2.2
281.07999	0.7
281.11642	1.4
282.08804	1.6
283.09549	2.8
283.13196	3.4
284.10345	1.8
285.11115	2.1
291.10156	1.3
293.11646	8.5
294.12424	1.1
295.09454	1.3
296.10361	0.7
297.11151	11.1
297.14746	2.3
299.12656	0.9
309.11151	2.7
310.11917	1.3
311.12775	5.0
313.14313	8.1
315.12195	6.6
323.12714	1.8
325.14267	16.3
341.13705	2.0
343.11096	0.8
343.15335	15.5
366.14270	0.6
369.13254	1.3
435.14282	0.7
543.19836	0.9
559.18848	0.7
571.19647	3.3
589.20490	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40820	0.6
55.01845	0.6
55.05512	3.6
67.05475	1.0
79.05461	0.8
81.07046	2.0
83.01346	1.3
83.04971	23.5
91.05456	1.8
93.07027	3.2
95.04951	1.4
95.08571	2.3
95.75157	0.6
103.05461	0.9
105.07021	1.0
107.08589	0.8
109.06504	1.4
109.10146	0.8
121.06484	4.6
121.10161	0.8
123.08033	3.6
131.04910	2.0
133.02765	1.4
133.06541	0.7
135.08031	1.4
141.64838	0.7
149.05914	3.1
153.05449	0.6
153.08670	0.7
159.04416	1.5
162.03082	6.2
165.05447	2.2
176.04666	0.6
177.05463	2.7
177.12779	0.6
189.05524	2.0
190.00992	1.2
190.02585	14.7
191.07051	1.7
192.44421	0.6
193.04929	6.0
200.57127	0.6
205.04933	100.0
206.05270	2.2
207.06482	2.0
213.05470	0.9
217.08527	0.9
219.02927	0.7
219.06514	8.1
221.11656	0.9
231.06480	1.2
233.08026	2.4
243.06534	0.8
245.07983	4.2
245.11873	0.9
246.07619	0.7
247.05977	1.0
247.09622	1.1
247.13373	0.7
259.09689	0.8
261.11188	6.7
271.09506	1.0
273.11288	1.5
283.09619	0.8
285.11148	1.7
297.11130	2.1
299.12759	9.7
309.11285	1.4
327.12210	10.8
327.15750	0.5
329.17661	0.8
343.11703	0.7
345.42975	0.6
381.16846	2.3
394.89508	0.7
451.17532	1.6
461.42502	0.7
469.23404	0.9
515.20905	1.3
521.21405	3.7
533.21680	3.5
543.30267	0.7
571.26648	1.7
589.27832	2.0
602.23737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17601	2.5
55.86499	2.5
56.35611	2.4
67.05502	3.0
69.07056	4.7
72.44763	2.2
77.30167	2.2
81.07026	2.5
90.22935	2.5
93.06998	3.6
95.08598	3.5
101.39030	2.4
105.39600	2.3
107.08653	3.0
111.04434	2.8
115.05463	8.0
117.48857	2.6
131.04900	3.4
134.98141	2.6
141.64824	2.3
143.04916	17.8
143.05864	2.8
153.05440	6.6
162.03073	5.0
171.04364	26.5
188.04633	7.9
190.02596	10.6
193.04938	10.3
199.03877	79.3
203.07034	6.9
205.04927	100.0
206.05183	3.4
216.04201	10.2
219.06500	11.4
231.06506	44.0
245.08008	3.7
247.09613	3.3
259.05984	40.6
261.11218	3.8
277.07025	31.7
327.12250	3.3
329.17352	7.1
339.16193	4.6
521.21625	12.5
608.17780	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	590.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.4
57.07069	5.5
60.04519	40.1
67.05500	29.5
69.03411	5.3
69.07063	25.2
69.14350	15.0
71.05008	2.8
71.44135	2.1
74.27887	2.4
79.05486	18.2
81.07049	90.7
81.99323	2.2
83.08599	12.8
85.02898	4.9
85.06541	3.9
88.03976	7.8
91.05482	9.0
93.07033	26.3
95.04970	4.7
95.08590	67.4
97.06486	2.5
97.10163	10.6
98.22624	5.0
105.07005	14.7
106.05013	100.0
107.08579	42.3
107.35783	2.3
109.06475	5.2
109.10137	52.0
111.04427	9.2
111.08147	2.7
111.11710	4.6
113.98291	2.3
119.08553	15.7
121.06499	4.4
121.10119	33.8
123.11694	30.3
125.06011	11.6
131.08594	2.9
133.10141	9.1
135.08006	3.1
135.11678	20.9
137.09673	2.8
137.13216	11.2
143.08485	3.5
145.10179	4.0
147.11658	11.6
149.13239	23.2
151.11256	2.9
159.11674	4.2
161.13243	7.1
163.14806	12.8
175.11203	4.3
175.14830	3.4
177.12744	6.5
177.16402	9.3
179.10559	2.5
181.12163	3.5
189.16376	5.2
191.17966	2.7
193.12212	3.6
195.13817	2.6
203.17908	6.2
205.19499	2.8
224.17180	2.6
245.22543	2.8
259.24170	10.9
263.23740	2.8
268.98618	2.5
269.22543	3.3
275.71124	2.5
277.25253	13.1
287.23468	11.9
305.24686	18.3
364.40366	3.0
392.27945	3.4
410.28983	34.5
428.30029	7.4
590.29724	3.1
590.42120	16.4
591.18121	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88519	0.5
98.97587	2.0
110.97551	0.7
115.03938	0.8
158.99651	1.4
170.99728	0.5
184.62045	0.5
196.04256	0.5
219.01797	2.8
228.08611	0.5
237.02878	2.1
279.04050	0.4
315.03976	1.9
333.04965	1.9
375.05960	3.0
375.23935	0.6
468.90121	0.6
486.30179	0.7
591.13147	100.0
592.13544	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	591.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08826	2.8
70.06554	0.4
79.55251	0.5
82.54411	0.4
83.01099	0.8
90.16911	0.4
101.95345	0.4
113.02119	0.7
119.08550	0.4
134.20578	0.5
138.02876	0.9
139.03676	0.5
185.04213	1.1
187.03668	0.5
189.05191	17.5
190.05937	1.0
201.03694	2.0
201.05341	0.6
203.06795	0.7
217.08458	0.5
233.07964	0.6
245.07851	0.8
263.08890	1.1
349.12582	0.7
367.13538	5.2
377.11948	2.5
381.11487	12.6
395.13058	5.9
396.13843	33.7
397.14630	4.4
456.59711	0.5
531.17847	0.4
546.36176	0.6
561.19202	4.9
590.41400	0.9
591.20392	100.0
592.20758	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	591.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05460	0.3
69.03419	0.4
70.06584	0.4
72.08150	0.6
74.06092	0.4
84.08141	0.8
86.09682	0.9
129.10287	0.6
153.27782	0.3
175.03638	19.0
176.04187	0.4
185.04201	0.8
193.43341	0.3
254.22050	0.3
309.09271	0.5
413.12216	0.7
428.14273	0.7
429.15112	6.3
429.20496	0.3
500.95825	0.4
591.20355	100.0
592.20667	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	591.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42376	1.0
88.72544	0.9
89.74869	0.9
124.78238	0.9
188.12685	1.0
231.07782	0.9
365.10028	1.1
380.12088	2.0
459.72745	0.9
590.25116	1.1
591.21820	100.0
592.22168	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	591.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	1.3
67.05521	0.9
69.46039	0.5
71.08612	1.9
71.27005	0.6
81.07036	0.6
85.10157	0.8
87.04470	0.6
89.05991	3.8
91.05448	0.6
93.07049	1.0
98.44614	0.6
109.28826	0.6
121.06514	1.4
133.08594	3.5
149.71802	0.6
165.09180	0.6
170.09616	0.7
177.11234	1.0
223.12015	0.7
223.79025	0.6
247.20576	0.6
291.23199	0.7
292.23560	0.6
298.13748	0.8
313.02658	0.6
322.13412	0.7
374.16333	1.3
377.40012	0.6
385.14774	1.0
386.15631	1.6
387.16760	0.9
388.17923	1.0
389.18176	0.7
398.15070	1.4
399.16187	3.6
400.16794	4.9
401.17618	3.8
402.19238	2.2
403.19388	1.3
404.20935	1.5
411.16357	0.8
412.17493	2.2
413.17596	7.0
414.18271	7.1
415.19144	13.9
416.20068	2.1
417.21097	1.1
418.21048	0.7
424.17783	0.9
426.18863	1.6
427.19330	7.2
428.20267	4.9
429.20776	21.5
430.21790	9.1
431.22681	1.1
433.24109	1.3
440.20883	1.6
441.21671	3.3
442.21750	6.3
443.22733	7.4
444.23273	12.3
445.19391	1.0
455.18719	2.2
456.19376	2.5
457.24304	17.9
458.25488	5.1
459.20978	8.8
460.22357	2.1
461.23300	2.2
467.18942	0.8
468.19943	0.7
469.24039	1.3
470.21707	3.4
471.18256	2.8
472.22580	9.7
473.23203	1.8
474.24429	1.1
475.25064	3.4
476.22043	2.1
482.21350	1.2
482.48514	0.7
483.17941	1.1
484.18991	1.7
485.23605	27.4
486.19778	8.4
487.25507	5.9
488.22449	1.0
489.22842	3.9
497.23096	2.2
498.20590	0.9
499.21490	2.7
500.21909	7.0
501.22922	0.7
503.24304	6.5
504.22205	0.8
513.22656	5.4
515.24353	26.7
531.23834	85.8
532.23969	5.8
541.22607	3.0
559.23285	36.9
560.23743	2.0
591.25891	100.0
592.26282	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	591.2594
Annotation	Swietenin F
Peak:m/z	Relative Intensity
52.82940	0.9
55.03427	0.8
57.07076	2.1
70.88565	0.9
71.08612	3.8
76.16904	1.0
81.65630	0.9
81.84554	0.9
85.10179	1.8
89.06019	9.7
91.05470	1.5
93.07047	1.9
105.86961	1.0
107.08599	1.2
110.49461	0.9
112.34716	0.9
119.08559	1.3
121.06514	3.3
123.40491	1.1
131.07047	0.9
133.08585	5.7
143.19075	0.9
144.91382	0.9
165.09093	1.3
201.62292	1.0
247.20433	1.1
291.23154	2.1
305.89682	1.0
343.09518	1.1
358.47675	1.0
385.14355	1.1
386.15839	1.3
388.18027	1.2
399.15866	2.3
400.16901	4.6
401.17688	3.5
404.21103	1.5
410.16898	1.0
413.17462	5.4
414.18433	6.3
415.19058	8.4
426.18713	1.5
427.19250	5.3
428.19983	4.6
429.20831	19.0
430.21820	8.8
440.20929	1.6
441.20944	2.0
442.21790	4.8
443.22784	7.7
444.23135	9.2
455.18335	1.6
456.19357	1.8
457.24191	15.4
458.25189	5.6
459.21106	8.9
460.22449	1.9
461.23166	1.9
467.19180	1.1
469.23987	2.0
470.20883	3.1
471.21835	1.4
472.22614	9.3
475.24707	2.7
476.26328	1.3
484.18893	1.6
485.23557	26.6
486.19522	6.5
487.25888	5.5
489.23035	3.5
498.20135	1.2
499.21426	1.9
500.21716	5.5
503.24716	7.4
513.22876	4.1
515.24292	27.0
531.23846	80.3
532.24268	3.8
541.22437	3.9
559.23328	36.4
560.23682	1.6
591.25922	100.0
591.38397	4.5
592.26312	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	591.2596
Annotation	Swietenin F
Peak:m/z	Relative Intensity
53.50061	0.5
57.64390	0.4
61.15042	0.5
90.34470	0.4
91.45673	0.4
93.06965	0.6
95.08540	0.4
114.74044	0.5
119.08586	0.5
125.76855	0.5
133.08548	0.7
152.06979	1.7
236.58002	0.5
247.12337	0.6
282.43021	0.5
336.14786	0.6
348.14795	0.5
373.15646	0.5
374.16406	1.3
375.17151	0.8
376.18347	0.7
384.14267	0.6
385.14612	0.9
386.15775	1.1
387.16879	0.7
388.17877	1.5
389.18756	0.8
397.14841	1.0
398.15518	1.2
399.16006	4.4
400.16980	4.3
401.17697	4.4
402.19153	1.8
403.19641	2.0
404.20831	1.5
412.17139	2.6
413.17706	5.9
414.18359	8.6
415.13834	1.0
415.19122	13.0
416.19824	2.1
417.20883	1.8
418.21457	0.7
425.17749	1.0
426.18805	1.5
427.19348	7.5
428.20068	6.7
429.20792	20.9
430.21753	9.0
431.22586	1.1
433.23828	1.1
439.19238	0.6
440.20355	1.4
441.21552	3.7
442.21786	6.1
443.22913	6.7
444.23349	10.9
445.19705	1.4
445.24417	1.3
446.21191	0.7
455.18814	1.8
456.19391	2.3
457.24252	17.8
458.25360	4.9
459.20914	8.6
459.26709	1.0
460.22424	2.1
461.23227	2.5
467.19049	0.7
470.21481	3.4
471.17929	2.2
471.22720	1.1
472.22644	7.7
473.23199	1.6
474.19382	0.7
475.24979	3.3
476.25867	0.8
482.20303	0.6
484.18835	1.4
485.23596	27.5
486.19806	9.2
487.25735	5.2
488.22214	1.1
489.23016	4.0
497.23187	2.7
498.20438	0.7
499.21121	2.2
500.21902	7.1
502.23376	0.6
503.24277	9.7
513.22742	5.5
514.23395	0.7
515.24371	25.8
516.24481	1.0
531.23834	86.5
532.24078	5.3
533.25421	0.6
541.22260	5.4
559.23297	38.7
560.23712	2.5
591.25916	100.0
592.26367	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	591.2598
Annotation	Swietenin F
Peak:m/z	Relative Intensity
53.47135	0.7
57.07081	1.4
67.87412	0.9
70.61484	0.7
71.08649	0.8
75.09608	0.8
77.17879	0.8
89.06035	3.0
95.08627	1.2
120.18388	0.8
133.08630	1.7
158.45200	0.8
177.11238	1.0
270.68842	0.8
286.65875	0.8
373.15326	1.1
374.16245	1.3
388.17908	2.6
398.15710	1.4
399.15979	4.0
400.17102	3.8
401.17624	4.5
402.19196	1.0
404.21481	0.9
411.17029	1.1
412.17523	1.6
413.17560	5.5
414.18484	8.5
415.19153	12.4
416.19794	1.5
417.21014	2.0
417.38644	1.0
418.21762	1.0
423.61685	1.0
426.18222	1.1
427.19223	8.9
428.20071	6.6
429.20895	18.9
430.21829	9.3
433.24075	1.3
440.20587	1.1
441.20981	2.5
442.22028	5.1
443.22586	8.4
444.23294	10.3
445.19907	1.4
455.18274	1.2
456.19458	2.0
457.24402	15.1
458.25418	4.7
459.21033	7.4
460.22375	1.9
461.23547	1.8
469.24146	1.1
470.21042	3.0
472.22607	8.4
474.24612	1.2
475.24911	2.6
476.26007	1.7
483.17902	1.3
484.19058	1.0
485.23679	23.4
486.19760	8.7
487.25250	4.5
488.22134	1.7
489.22653	4.8
497.23386	1.2
498.20709	1.9
499.21219	1.4
500.21869	6.4
503.24390	6.0
504.24921	0.9
513.22833	4.5
515.24341	23.7
516.24670	1.3
531.23840	86.9
532.24219	4.4
541.22113	3.8
559.23328	39.1
560.23334	1.5
591.25922	100.0
592.26001	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	591.2598
Annotation	Swietenin F
Peak:m/z	Relative Intensity
61.28162	0.6
69.84969	0.6
77.49684	0.6
98.23520	1.1
123.75362	0.6
156.96324	0.8
178.01019	0.6
184.76160	0.6
247.12187	0.6
263.00262	0.7
287.46967	0.6
299.15234	0.7
336.14896	0.7
348.14914	0.8
373.15338	0.7
374.16705	1.1
375.16721	0.6
385.14340	1.5
386.15198	0.8
387.16306	2.0
388.17847	1.4
389.18570	1.3
390.19260	1.2
396.14896	0.7
399.16013	5.1
400.16861	4.9
401.17642	5.3
402.19339	1.9
403.20020	1.4
404.20901	1.5
411.15863	1.3
412.17276	2.3
413.17557	7.3
414.18500	8.8
415.19180	14.7
416.20071	2.7
417.20892	1.6
418.21689	1.1
425.17932	1.9
426.18692	1.1
427.19318	9.2
428.20142	6.2
429.20837	23.7
430.21820	9.9
431.22787	1.2
439.19400	1.3
440.20670	1.0
441.21664	2.9
442.21967	6.2
443.22900	7.8
444.23288	11.7
445.19714	1.7
446.21082	0.9
455.18533	2.7
456.19177	2.9
457.24243	18.7
458.25604	5.0
459.20966	9.2
459.26642	0.9
460.22400	2.1
461.23178	2.2
468.19608	1.0
469.15939	0.8
469.24033	1.4
470.21286	4.4
471.17844	1.9
471.23163	0.9
472.22614	8.4
473.23059	1.9
475.25040	3.0
476.25937	1.3
482.20950	0.9
483.17676	0.9
484.18964	2.3
485.23737	28.7
486.20676	7.6
487.25543	6.7
488.22076	1.0
489.22693	4.5
497.23279	2.6
498.20346	0.8
499.21173	2.1
500.22009	8.3
503.24307	8.3
504.21484	1.2
513.22571	6.7
514.23242	0.9
515.24408	30.0
516.24445	1.1
531.23853	89.5
532.24176	5.8
541.22070	5.0
559.23322	40.7
560.23596	2.7
591.25922	100.0
592.26373	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	591.2771
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
67.28423	2.1
69.79031	6.4
98.22785	2.7
99.37402	2.3
105.51027	2.1
299.07330	49.3
463.27274	2.3
591.18158	4.8
591.27655	100.0
592.27795	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	592.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
55.01854	2.4
55.68055	1.3
58.10778	1.4
65.03924	3.4
67.05505	3.0
68.99780	13.7
69.03420	1.7
69.54528	1.7
69.54860	6.2
77.03918	3.5
79.05477	2.5
85.02889	1.5
85.06487	2.0
91.05454	2.6
93.03443	1.4
95.04957	5.4
97.02882	1.5
103.05463	2.3
105.03382	4.2
105.06969	2.6
106.13126	1.2
107.04945	2.0
109.02856	2.4
111.00777	4.0
111.04435	2.1
115.05407	2.3
117.03365	2.1
119.04951	2.1
121.02867	3.2
123.04411	100.0
124.04770	5.0
127.03905	1.5
127.49803	1.4
131.04898	5.0
133.02887	1.6
135.04410	7.9
136.74667	1.6
137.02325	4.0
139.03879	21.2
140.04240	2.8
143.04924	2.7
145.02850	4.7
145.06442	2.8
147.04399	11.7
149.02335	5.7
149.05911	1.8
150.03093	7.6
151.03903	8.2
153.01802	4.0
155.04936	4.5
155.06184	1.7
157.06451	2.4
159.04428	4.6
161.05959	3.9
163.03886	28.2
163.78253	1.4
164.04228	2.1
165.01834	2.3
167.03392	7.6
169.05017	1.8
171.04422	4.2
173.05931	3.7
175.03828	10.2
177.01843	2.6
177.05447	4.7
179.03377	13.5
183.04393	2.7
185.05899	2.6
187.03879	8.4
189.05402	6.9
191.03410	4.2
193.04976	5.8
197.05910	2.8
199.03839	9.9
200.04695	1.5
201.05420	8.9
201.71608	1.6
203.03354	14.4
203.06912	2.6
205.04884	1.9
211.03990	2.3
213.05365	7.2
215.03343	2.6
216.04056	2.3
217.04904	12.5
225.05424	2.6
227.03258	1.9
229.04897	8.6
231.02875	2.1
231.06516	4.9
233.08374	2.0
237.05417	2.0
241.04912	8.2
245.04408	99.5
246.04791	2.2
247.05913	13.4
247.07722	1.2
253.04889	3.2
255.06772	1.8
257.04416	13.0
258.05057	1.8
259.05890	7.9
265.04758	2.7
269.04510	8.9
270.04919	2.9
271.05978	3.5
279.06485	2.3
281.04507	2.6
283.06058	4.9
285.03909	21.1
286.04294	1.7
287.05438	25.7
289.07043	2.9
295.05801	2.5
299.05524	3.7
307.06003	2.8
311.05518	1.9
315.04941	3.0
335.05521	2.5
349.06973	2.5
353.06519	2.3
361.06830	3.4
365.06665	2.4
377.06546	5.1
379.08090	2.4
389.06448	3.1
391.08191	3.6
395.07455	2.9
403.74823	1.6
405.05936	10.7
407.07532	30.9
408.07919	2.5
409.09045	6.3
419.07526	8.2
421.08984	2.1
422.09399	3.7
423.07086	2.9
435.07111	3.5
437.08737	8.3
529.11377	2.1
539.09674	2.9
557.10675	5.2
593.17706	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	593.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91351	0.4
58.21128	0.4
64.28187	0.5
69.74444	1.0
69.74780	1.2
70.58573	0.5
73.20530	0.6
76.74132	0.5
93.45103	0.5
105.80592	0.5
176.71078	0.4
178.98401	0.5
179.53818	0.5
183.36974	0.5
259.07782	0.5
344.24710	0.5
578.37219	0.5
593.14667	100.0
594.14948	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	593.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39820	0.6
69.21252	2.7
70.17472	0.5
70.93557	0.6
72.08140	0.7
98.22706	1.2
99.99060	0.5
217.39310	0.6
332.16464	0.6
397.25320	0.7
462.65549	0.6
575.15765	0.7
593.14648	100.0
594.15137	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	593.1504
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
50.02892	0.2
53.03938	1.6
55.01826	0.3
56.61372	0.2
57.03378	0.8
61.02875	0.6
68.99739	0.7
69.03425	4.3
69.32100	1.0
71.04985	1.0
73.02893	1.1
79.05437	0.3
81.03409	5.3
83.04932	0.3
85.02895	10.7
87.04406	0.3
97.02883	7.4
99.04444	8.6
103.03931	8.0
105.03316	0.4
107.04927	0.3
109.02867	5.6
111.00740	0.6
115.03908	0.3
120.08085	0.4
121.02853	2.4
127.03901	17.6
128.04268	0.2
133.02817	0.3
137.02293	0.6
145.03867	0.3
145.04933	6.1
145.06143	0.3
147.04311	0.5
153.00650	0.2
153.01799	4.1
157.06352	0.3
163.05914	0.7
165.01836	1.2
169.04887	0.3
171.04350	0.2
175.03627	0.6
175.07367	0.2
183.02821	0.8
185.05840	0.3
187.05968	1.5
189.05431	0.2
199.05843	0.3
203.06898	0.3
213.05461	1.5
231.06490	0.5
241.04903	0.9
245.04312	0.3
253.06960	0.2
257.04416	0.4
258.05173	0.8
259.05933	0.3
269.04260	0.2
271.05643	0.2
271.08148	1.0
287.05460	100.0
288.05762	3.2
299.05466	0.5
311.05429	0.5
325.06757	0.3
325.10571	0.3
329.06497	1.8
341.07751	0.4
353.06671	0.3
385.12662	0.3
395.07755	0.6
398.79724	0.2
399.14157	0.3
480.93927	0.2
593.19867	7.9
594.20032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77965	0.2
58.99817	0.4
62.01037	0.2
68.98248	0.6
76.13192	0.2
81.03376	0.2
82.99799	0.7
85.02845	0.3
86.99271	0.5
90.84434	0.2
91.44925	0.2
94.99793	0.6
96.55462	0.2
97.01324	0.3
97.02875	1.4
98.23328	0.2
98.97527	0.3
101.00871	3.6
105.00278	0.7
113.00842	2.1
115.02415	1.1
119.01914	4.2
127.02390	2.0
129.03889	0.7
131.01006	0.4
131.01888	5.1
131.05473	0.3
133.03369	1.0
137.00778	1.1
139.02319	0.7
143.01880	7.3
144.01863	0.3
145.03445	8.3
146.03525	0.4
147.01306	0.7
147.04964	0.3
153.03862	1.0
155.01874	9.5
156.02718	1.8
157.03448	3.5
159.01306	0.3
161.02940	6.3
163.04373	0.7
167.01892	1.2
169.03435	2.9
171.01291	0.5
171.05009	4.0
172.01266	0.3
173.02945	23.6
174.03085	0.7
175.04543	1.3
177.02364	0.4
179.01682	0.3
181.03398	2.0
183.01302	0.5
183.05032	1.6
185.02950	4.1
185.06512	0.5
187.04485	1.8
189.05908	0.3
191.04004	5.0
192.03955	0.3
193.03445	0.6
195.04900	0.5
197.02942	8.2
198.03203	0.3
199.04500	4.4
200.04704	0.2
201.02336	0.6
201.05949	0.5
203.02158	0.3
203.03999	5.7
205.03389	0.7
207.04944	0.3
209.02852	2.5
211.04471	4.2
213.02458	0.4
213.05959	0.6
215.03987	12.3
216.04195	0.5
217.05547	0.6
219.01585	0.4
219.03488	0.4
221.02968	1.4
221.05016	12.6
222.05151	0.4
223.04466	2.4
225.05995	0.6
225.59052	0.2
227.01857	0.4
227.03972	6.3
228.04198	0.3
229.05562	3.0
233.02879	2.8
233.05008	1.3
236.04301	0.3
239.03979	7.2
241.05557	3.3
243.03520	0.3
245.05061	2.2
245.82785	0.2
247.06738	0.4
251.03969	7.4
252.04120	0.5
257.05045	4.8
259.06769	1.1
263.03964	0.6
269.05005	1.9
271.06595	14.8
272.06689	0.9
275.05887	0.4
281.05042	1.7
285.02905	0.3
287.06073	1.1
289.07657	6.3
299.06076	24.0
300.06308	1.6
308.06656	0.9
308.56635	0.4
316.05414	0.5
316.55774	0.4
317.07126	100.0
317.57251	0.5
318.07343	5.9
335.08188	30.0
336.08371	1.9
340.08807	0.3
353.09268	0.4
358.09714	0.7
377.09399	0.4
431.10391	0.7
431.68167	0.2
593.15662	3.3
594.16119	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	593.168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18521	0.3
56.31602	0.3
70.03058	0.9
81.25475	0.3
99.26787	0.3
110.97544	0.3
120.08121	0.4
172.84615	0.3
176.74223	0.3
199.41026	0.3
230.53564	0.3
251.04103	0.3
263.08237	0.3
299.07388	0.6
315.04056	0.4
317.08304	1.6
337.19962	0.3
382.69354	0.4
385.10944	0.4
431.11572	3.7
461.12466	0.5
473.12531	4.8
503.13742	2.8
524.67053	0.3
533.14685	5.4
534.15247	0.4
575.16022	0.5
593.16840	100.0
594.17139	4.0
597.29523	0.4
610.01068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1679
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
53.14332	0.4
63.38970	0.4
70.51672	0.8
143.01910	0.4
156.25349	0.4
173.02898	0.5
203.13847	0.6
224.25964	0.4
244.09390	0.3
299.07019	0.8
317.07553	2.7
335.08533	0.5
431.11539	5.5
461.12747	1.6
473.12808	1.6
503.13666	1.3
533.14630	2.4
575.15454	0.5
593.16852	100.0
594.16937	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	593.1683
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
52.93045	0.3
65.35240	0.3
91.80775	0.4
98.97592	0.6
114.68105	0.3
173.02972	0.6
183.92757	0.3
203.03912	0.4
209.28217	0.3
245.05135	1.1
267.92279	0.3
299.06689	0.4
317.08047	1.5
335.08221	2.1
377.09210	0.6
431.11517	6.3
432.12198	0.4
473.12674	0.9
533.14819	1.2
549.63873	0.4
575.15485	0.5
593.16815	100.0
594.17035	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	593.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34389	0.3
69.13766	0.7
69.14176	1.4
70.06583	0.5
86.09692	0.6
98.22704	0.8
106.46194	0.4
129.10274	0.5
175.03609	3.4
185.04126	0.4
189.05136	1.9
219.06250	6.2
234.08585	22.7
235.09235	0.8
247.09468	0.6
277.77048	0.4
351.10428	8.5
363.10446	0.7
365.12000	7.9
371.69186	0.4
381.11499	0.8
431.16675	6.2
515.71448	0.3
563.20850	0.8
593.21967	100.0
594.22253	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41981	1.9
70.03067	0.4
74.59222	0.4
93.62550	0.4
96.61054	0.4
98.23460	0.8
131.35670	0.4
137.06003	0.6
159.04237	2.1
175.45096	0.5
189.05199	0.5
215.06818	0.7
349.10623	0.6
352.12805	1.6
364.12909	1.2
382.13855	1.2
383.14346	1.0
397.16290	1.9
408.27789	0.4
563.22418	1.3
593.23480	100.0
594.23926	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	593.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14665	7.7
70.57617	1.0
81.07039	1.3
106.74488	1.1
112.35036	1.0
134.88693	1.4
168.93495	1.3
343.29709	1.3
466.59753	1.1
487.24432	1.6
517.24933	1.4
533.24823	4.2
561.24219	2.6
593.27081	100.0
594.27429	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	593.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21682	0.3
54.31966	0.2
67.05514	0.3
71.09618	0.3
72.26569	0.3
79.29745	0.2
98.23560	0.3
106.82886	0.3
244.33305	0.3
375.15952	0.4
387.16470	0.6
388.16611	0.4
389.17673	1.2
390.18896	0.3
401.17603	0.6
402.18179	1.3
403.19104	3.4
404.19904	0.9
405.16098	0.3
405.20612	2.0
406.21185	0.3
416.20041	1.0
417.16824	0.9
417.21259	4.3
418.21649	2.1
419.22244	4.1
429.21405	0.4
430.17932	1.3
431.18002	7.2
431.23645	0.6
432.18399	1.9
433.24081	7.5
434.24423	0.9
444.19211	0.6
445.19891	10.4
446.20398	3.6
447.21704	4.2
448.22202	0.3
449.23715	0.3
459.21524	3.2
460.22516	9.9
461.23270	9.3
462.24051	0.7
473.23752	1.9
474.23996	0.5
476.25653	0.9
477.22174	0.8
487.24982	1.0
489.26501	0.7
491.24615	0.7
492.24890	0.7
493.26178	0.4
505.21747	3.4
519.23822	0.5
533.25391	31.7
534.25696	2.3
564.23950	0.4
565.27740	0.7
575.26642	0.6
593.27448	100.0
594.27734	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	593.2747
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.72549	0.4
57.38136	0.3
70.00991	0.3
71.11235	0.5
102.16985	0.4
296.36536	0.4
300.15109	0.4
387.16147	0.5
388.16852	0.5
389.17651	0.8
390.18057	0.4
401.17307	0.5
402.18600	0.7
403.19101	2.7
404.19739	1.2
405.20673	1.6
416.15515	0.4
417.16412	1.1
417.21463	2.5
418.22031	1.8
419.22256	3.6
431.18265	8.3
432.18515	2.8
433.24075	7.0
434.24753	2.1
444.18945	0.5
445.19775	9.6
446.20609	4.7
447.21555	8.0
448.22321	0.6
449.23343	1.1
459.21384	4.4
460.22488	18.5
461.23221	14.9
462.23532	1.6
463.21246	0.9
473.23569	3.5
474.23886	1.1
476.26096	1.7
477.22543	1.3
477.27765	0.6
478.23001	0.6
487.24887	1.9
489.26157	1.1
491.24216	1.5
492.24966	2.4
493.25873	0.5
504.20975	0.4
505.21973	11.0
518.23004	1.3
519.23761	2.1
528.13812	0.4
533.25385	44.5
534.25604	3.0
547.27124	0.5
549.21979	0.6
561.25159	0.8
564.23810	0.9
565.27917	1.2
575.25891	0.5
578.25195	0.5
593.27466	100.0
594.27704	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	593.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47829	0.2
67.32417	0.4
71.44415	0.3
82.38356	0.3
85.21442	0.3
127.03713	0.9
185.04103	0.4
214.94379	0.3
229.06772	0.3
275.07251	0.6
307.15393	0.3
310.08130	0.3
317.08405	0.6
333.07861	1.5
335.09476	0.8
355.96640	0.3
456.19806	0.6
461.25253	0.8
503.26297	0.4
593.29199	100.0
594.29559	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	594.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01843	0.3
57.03419	0.4
61.02906	0.3
65.03929	1.5
65.99524	0.2
69.03429	2.5
70.06578	2.4
71.04974	0.3
72.08134	0.6
77.23524	0.2
81.03405	5.2
83.06101	0.2
83.08440	0.2
84.08096	0.2
85.02891	3.2
90.38287	0.3
91.54567	0.2
95.04955	2.2
97.02883	3.1
99.04430	0.7
103.29777	0.3
109.02847	2.6
111.04401	1.4
115.03914	3.7
116.07042	0.5
121.02851	100.0
122.03189	1.1
127.03895	2.8
129.10246	0.8
133.04956	0.7
139.03880	11.2
145.04956	1.3
167.22211	0.3
180.11346	0.3
181.09604	0.3
208.10808	0.5
209.09178	0.5
213.12320	1.6
259.08163	0.6
265.07059	8.4
265.12952	0.2
268.79791	0.3
283.08081	11.4
284.08566	0.4
287.05441	0.5
333.86719	0.3
341.45825	0.2
364.19812	0.4
382.20694	0.5
383.09317	0.2
427.12180	0.4
445.13284	3.1
564.24860	0.3
594.17670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63119	0.3
53.03947	0.9
55.01648	0.4
55.01868	4.4
57.03426	0.7
59.05001	1.8
61.02908	0.9
65.03912	0.4
68.24332	0.3
68.73070	0.3
69.03425	8.9
69.38158	0.9
70.06587	0.6
70.33714	0.3
71.04999	0.5
73.02914	0.7
81.03410	2.7
85.02896	7.1
87.04461	5.4
97.02886	13.5
98.23478	0.5
99.04469	1.1
109.02870	3.2
111.04417	0.4
115.03920	100.0
116.04266	1.1
121.02856	17.5
121.03764	0.6
127.03904	4.3
133.04953	16.0
139.03897	0.5
145.04929	3.7
187.05994	1.4
205.07088	0.4
235.05984	2.1
241.07097	1.4
259.08112	11.3
265.07190	0.4
277.09174	5.7
314.11676	0.3
397.11221	3.2
430.51065	0.4
554.60144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.8
57.07070	0.6
58.06597	0.9
60.08149	6.8
70.06570	0.9
70.45660	0.4
71.07362	3.3
72.08112	0.5
77.52836	0.4
79.05459	0.5
84.08158	0.5
86.09692	11.9
98.62963	0.5
104.10725	100.0
119.99792	0.5
136.93077	1.8
154.94115	3.9
162.94638	1.4
172.95212	5.3
180.95714	6.5
190.96243	1.7
198.96761	24.1
210.96762	2.6
216.97804	13.8
221.98370	2.0
228.97826	2.1
232.96120	0.4
236.98392	0.6
239.99435	0.9
254.99387	1.5
282.52548	0.5
290.39972	0.5
295.19202	0.5
296.42642	0.7
300.28928	0.7
313.20416	1.7
314.06851	0.6
331.21548	1.3
333.68216	0.5
419.18909	1.1
437.19760	1.2
449.19583	3.3
470.46982	0.5
475.21497	2.8
478.25928	5.9
486.94647	0.5
534.28577	7.0
576.45905	1.1
594.21924	0.9
594.30743	11.3
594.46619	1.0
595.30231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82432	0.1
56.50685	0.1
57.03426	0.6
65.21765	0.1
68.99772	0.4
69.03425	0.8
69.46611	0.6
70.06542	0.1
71.01342	0.8
71.04979	0.1
73.02902	1.3
75.04436	0.3
80.08586	0.1
81.03401	0.2
84.04482	0.2
85.02893	5.4
86.09678	0.2
87.04424	0.2
92.84673	0.1
95.01301	0.5
95.04939	0.2
97.02876	0.7
98.23369	0.3
99.00869	0.2
101.02361	0.4
103.03928	0.3
107.04939	0.4
109.02888	0.3
111.00783	0.6
113.02351	1.8
115.03907	0.3
121.02842	2.2
123.07963	0.2
127.03929	0.2
131.03403	0.8
133.02863	0.4
133.04967	0.2
136.07632	0.1
137.02353	0.7
139.03957	0.1
141.01822	0.7
145.06505	0.2
147.04410	0.5
153.01802	3.1
157.06483	0.4
159.02861	0.6
165.01807	1.5
183.02870	0.7
185.05881	0.2
203.07047	0.2
213.05400	1.2
231.06364	0.6
237.03178	0.1
241.04858	0.9
243.06540	0.2
258.05255	0.9
259.05902	0.4
269.04343	0.2
287.05441	100.0
288.05750	2.9
299.05438	0.2
329.06497	0.3
391.73370	0.2
419.09662	6.4
420.09955	0.2
433.11139	0.3
569.14581	0.1
602.64398	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	595.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74259	0.2
60.09218	0.2
65.03936	0.3
67.01853	0.8
68.99778	0.5
69.03418	0.4
74.60824	0.2
81.03427	0.9
85.02863	0.3
89.03909	0.3
91.05473	2.1
97.02876	0.2
102.44978	0.2
107.04989	0.3
109.02869	0.7
116.72244	0.2
117.03385	0.2
119.04926	5.4
123.04372	0.2
127.03850	0.2
135.04401	1.8
137.02287	0.9
137.05940	0.4
147.04390	26.1
148.04733	0.5
153.01811	6.3
153.03050	0.4
155.87585	0.2
161.02316	1.1
161.05943	0.3
163.03864	0.5
165.05461	0.6
167.06982	0.5
171.02870	1.2
173.06035	0.2
179.03397	0.5
181.04988	0.3
196.81155	0.2
205.05005	0.2
219.06537	0.4
224.85583	0.2
241.04849	0.9
245.04509	0.3
269.04388	0.5
271.05981	3.0
287.05457	100.0
288.05835	2.5
291.08563	1.6
309.09705	0.7
433.14142	0.4
582.84009	0.2
595.19513	0.9
595.32990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01867	2.8
65.03914	1.3
68.99773	8.1
69.51909	0.9
69.74455	3.1
72.46046	0.7
72.67677	0.8
76.71790	0.7
77.03925	1.6
81.03398	3.7
85.02888	0.9
85.25469	0.7
91.05457	1.1
95.04948	2.4
99.04415	1.4
99.93253	0.9
105.03387	1.5
107.04940	1.6
109.02890	4.3
111.00783	7.4
111.04388	2.2
119.04941	3.8
121.02807	1.9
123.03504	1.5
123.04409	41.0
127.03892	100.0
129.06972	1.2
133.02838	2.7
135.04430	4.4
137.02335	1.5
139.03876	88.2
140.04181	1.6
142.90050	0.9
144.93210	1.0
147.04379	13.7
149.02310	4.1
151.03871	30.3
153.01714	1.6
155.03358	1.5
157.06421	0.9
161.05902	3.1
163.03882	10.0
165.05469	7.5
167.03394	7.1
169.05005	0.9
171.04375	2.1
173.05977	0.9
175.03885	15.0
177.01881	1.2
177.05428	5.4
179.03354	31.1
181.04916	1.7
185.05969	2.7
187.03860	1.4
189.05409	3.2
191.03331	15.1
193.04973	4.5
193.06441	0.9
197.06012	1.0
199.03865	2.7
201.05440	6.7
203.03345	21.4
205.04967	2.4
213.05467	7.6
215.03337	1.7
217.04938	4.3
229.04884	7.2
231.06474	3.6
233.04416	8.7
241.04932	3.7
245.04370	8.8
247.05988	3.1
251.05527	1.5
253.04933	1.2
257.04388	15.3
258.05051	1.6
259.06046	4.4
263.05444	12.5
269.04306	4.3
271.05954	4.5
273.07327	1.4
275.05453	32.1
276.05798	1.0
287.05441	55.0
289.07263	1.2
291.08578	12.1
299.05463	21.2
300.05649	1.1
301.07050	1.5
303.08685	1.7
305.06473	12.9
307.07721	0.9
311.05548	1.2
317.06494	22.2
339.23105	0.8
407.07962	1.2
409.09097	9.7
425.08636	16.6
426.08945	1.1
427.10312	4.1
443.09732	6.6
451.10150	0.9
481.93951	1.0
514.53119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.00306	1.3
55.01872	2.1
58.23002	0.8
63.02372	0.6
64.84982	0.8
65.03934	2.8
67.05497	2.2
68.99782	9.7
69.03414	1.0
70.77969	1.0
72.03791	0.9
74.51312	0.8
79.05482	0.9
81.03417	4.1
83.04992	1.0
83.76160	0.8
85.02884	2.4
91.05470	2.1
93.03385	2.7
95.04971	3.7
97.02875	1.2
99.04433	2.2
105.03381	1.4
105.04543	1.1
105.07023	1.4
107.04949	5.2
109.02892	5.3
109.14459	0.7
111.00790	9.6
111.04408	4.5
119.04935	4.7
121.02876	3.3
123.04413	67.1
124.04781	0.9
127.03899	100.0
128.04245	1.0
131.04935	1.6
133.02843	2.6
133.06461	0.8
135.04384	11.9
135.05341	1.2
137.02345	2.6
137.05969	1.2
139.03879	79.5
140.04172	0.9
141.06947	1.2
143.04898	1.1
147.04391	22.1
149.02318	3.1
149.05960	2.0
151.03885	33.5
153.01813	1.4
153.54343	0.9
154.08881	0.7
154.46068	0.7
155.03355	2.3
155.04808	0.8
159.04398	1.8
161.05943	5.8
163.03886	16.9
163.05138	1.5
165.05440	8.9
165.06635	1.0
167.03348	3.5
167.07028	3.9
169.05060	1.0
171.04408	2.3
173.05978	2.4
175.03896	18.2
177.05415	8.0
179.03366	45.5
180.03687	0.9
181.04933	11.7
185.05966	2.3
187.03867	2.2
189.05469	5.5
191.03374	10.7
191.07066	0.8
191.64691	0.8
193.04922	9.8
193.08597	1.6
194.57664	0.9
197.05922	1.5
199.03911	2.2
201.05492	5.6
203.03368	33.2
205.04901	1.6
205.63753	0.7
207.06500	2.2
213.05429	6.7
215.03369	1.8
217.04915	7.7
219.06377	1.5
221.04436	1.7
221.06250	1.4
221.08115	2.7
225.05373	1.2
227.03374	1.1
229.04918	6.5
231.06435	4.2
233.04428	3.7
241.04950	6.0
243.06624	1.9
245.04401	17.6
247.05959	5.6
249.07552	1.3
253.04834	1.3
257.04413	22.9
258.05170	2.9
259.05954	4.6
263.05502	7.9
268.90564	0.8
269.04401	7.2
271.05975	9.7
273.07513	2.4
275.05472	19.8
281.04395	1.7
283.06000	1.1
287.05466	82.1
288.05884	1.9
289.06998	5.0
291.08569	11.0
299.02094	1.2
299.05466	21.5
300.05832	0.9
301.07004	2.0
303.05032	1.3
303.08603	2.9
305.06473	7.1
311.05396	2.9
313.07050	1.2
315.08356	0.9
317.06500	13.6
333.09424	1.3
403.13754	9.0
407.07532	3.4
409.09082	24.9
415.13892	2.6
421.08817	1.4
425.08652	18.0
427.10349	6.2
433.09351	2.3
437.08539	1.7
439.10013	3.0
443.09622	2.2
451.10266	7.4
469.10977	1.2
582.16187	0.8
595.18909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74259	0.2
60.09218	0.2
65.03936	0.3
67.01853	0.8
68.99778	0.5
69.03418	0.4
74.60824	0.2
81.03427	0.9
85.02863	0.3
89.03909	0.3
91.05473	2.1
97.02876	0.2
102.44978	0.2
107.04989	0.3
109.02869	0.7
116.72244	0.2
117.03385	0.2
119.04926	5.4
123.04372	0.2
127.03850	0.2
135.04401	1.8
137.02287	0.9
137.05940	0.4
147.04390	26.1
148.04733	0.5
153.01811	6.3
153.03050	0.4
155.87585	0.2
161.02316	1.1
161.05943	0.3
163.03864	0.5
165.05461	0.6
167.06982	0.5
171.02870	1.2
173.06035	0.2
179.03397	0.5
181.04988	0.3
196.81155	0.2
205.05005	0.2
219.06537	0.4
224.85583	0.2
241.04849	0.9
245.04509	0.3
269.04388	0.5
271.05981	3.0
287.05457	100.0
288.05835	2.5
291.08563	1.6
309.09705	0.7
433.14142	0.4
582.84009	0.2
595.19513	0.9
595.32990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Kaempferol 3-(3''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
51.74259	0.2
60.09218	0.2
65.03936	0.3
67.01853	0.8
68.99778	0.5
69.03418	0.4
74.60824	0.2
81.03427	0.9
85.02863	0.3
89.03909	0.3
91.05473	2.1
97.02876	0.2
102.44978	0.2
107.04989	0.3
109.02869	0.7
116.72244	0.2
117.03385	0.2
119.04926	5.4
123.04372	0.2
127.03850	0.2
135.04401	1.8
137.02287	0.9
137.05940	0.4
147.04390	26.1
148.04733	0.5
153.01811	6.3
153.03050	0.4
155.87585	0.2
161.02316	1.1
161.05943	0.3
163.03864	0.5
165.05461	0.6
167.06982	0.5
171.02870	1.2
173.06035	0.2
179.03397	0.5
181.04988	0.3
196.81155	0.2
205.05005	0.2
219.06537	0.4
224.85583	0.2
241.04849	0.9
245.04509	0.3
269.04388	0.5
271.05981	3.0
287.05457	100.0
288.05835	2.5
291.08563	1.6
309.09705	0.7
433.14142	0.4
582.84009	0.2
595.19513	0.9
595.32990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32655	0.1
53.03926	0.3
55.01862	0.3
55.02116	0.1
57.03426	0.8
61.02924	0.7
68.99802	0.3
69.03070	0.1
69.03423	1.8
69.34663	0.3
69.35043	0.2
70.06615	0.1
71.01337	0.1
71.04980	0.9
73.02896	0.3
81.03407	0.9
83.45696	0.1
84.68405	0.1
85.02896	5.8
87.04423	0.1
91.03939	0.3
95.04974	0.1
97.02883	1.7
99.04441	0.4
105.03370	0.3
107.04939	0.3
109.02857	0.7
111.00813	0.6
121.02853	2.0
121.03738	0.1
127.03881	0.9
129.05469	0.3
133.02834	0.4
137.02348	0.6
145.04938	0.9
145.06470	0.3
147.04384	0.5
153.01808	2.9
157.06444	0.2
161.05952	0.1
165.01810	1.5
171.04361	0.2
183.02878	0.7
185.05965	0.4
189.05473	0.1
197.06053	0.2
203.07106	0.2
213.05429	1.1
228.29858	0.1
231.06487	0.7
241.04898	0.6
258.05228	1.0
259.06027	0.4
269.04163	0.2
282.79886	0.1
287.05457	100.0
288.05804	2.4
329.06387	0.2
333.15350	0.1
419.09460	0.4
433.11240	3.3
433.17090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56966	0.1
52.98638	0.1
65.03928	0.1
67.01855	0.4
68.99445	0.1
68.99795	0.4
69.03425	0.3
69.29868	0.2
69.30270	0.4
85.02890	0.5
91.05471	0.3
97.02868	0.3
101.08591	0.1
107.04934	0.2
119.04924	1.5
121.02861	0.4
127.03912	0.2
137.05980	0.1
145.02814	0.4
147.04424	0.1
153.01808	3.7
161.05930	0.1
163.03831	0.5
167.07011	0.3
171.02850	0.5
181.04910	0.8
187.03996	0.1
187.07356	0.1
203.06898	0.2
225.05473	0.3
229.04906	0.1
243.06456	0.2
247.05943	0.1
271.05960	100.0
272.06274	2.8
287.05426	2.7
301.07114	0.7
326.90247	0.1
370.34869	0.1
403.14291	0.1
416.14532	0.5
417.11899	0.2
419.16736	0.1
433.11081	0.7
449.10794	0.4
595.21387	0.8
595.32605	0.1
621.24335	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	595.1651
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
53.03943	0.3
53.84068	0.2
55.01859	0.3
55.05503	0.3
57.03430	1.9
61.02915	0.5
64.20861	0.2
68.99770	0.4
69.03417	1.2
69.69898	0.4
71.01339	0.2
71.04984	10.8
73.02890	0.5
75.04485	0.3
79.05502	0.2
79.11436	0.1
80.11272	0.2
81.03387	0.5
83.04955	0.6
85.02893	14.7
87.04443	0.4
91.03934	0.2
93.07042	0.1
97.02873	1.2
105.03387	0.4
107.04952	0.3
109.02866	0.5
111.00792	0.6
111.04419	0.6
112.61112	0.2
118.76405	0.2
121.02849	2.5
127.03887	0.9
129.05461	3.4
133.02832	0.4
135.04395	0.3
137.02335	0.6
145.04944	0.6
147.04398	0.4
147.06490	1.0
153.01817	3.5
157.06476	0.3
165.01781	1.5
171.04414	0.3
175.03648	0.3
181.05099	0.1
183.02892	0.9
184.59175	0.1
185.05908	0.3
189.05486	0.2
213.05386	1.2
231.06502	0.4
241.04813	0.7
258.05249	1.1
259.06131	0.3
269.04425	0.2
271.05914	1.7
273.45856	0.2
287.05450	100.0
288.05765	2.9
299.05392	0.2
329.06491	0.5
449.10562	0.5
517.09222	0.2
595.21527	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	595.1649
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
52.77731	0.1
53.03934	0.3
55.01861	0.2
57.03428	0.6
59.24915	0.1
61.02925	0.8
65.01357	0.1
68.99458	0.1
68.99787	0.5
69.03410	1.8
70.96404	0.1
71.04978	0.6
73.02902	0.2
81.03403	0.8
85.02889	5.8
87.04449	0.2
87.86781	0.1
89.45347	0.1
91.03925	0.3
94.29639	0.1
97.02879	1.9
99.04451	0.2
102.82774	0.1
105.03363	0.2
107.04952	0.3
107.52148	0.1
109.02861	0.6
111.00784	0.6
116.87995	0.1
121.02844	2.2
127.03873	1.0
129.05473	0.2
133.02840	0.5
137.02321	0.5
145.04924	0.9
145.06476	0.2
147.04361	0.5
153.01796	3.2
157.06381	0.2
165.01833	1.5
171.04356	0.2
177.05502	0.1
183.02863	0.9
185.05913	0.3
203.06973	0.2
213.05412	1.0
231.06433	0.7
241.04837	0.8
258.05197	1.0
259.05927	0.3
263.96973	0.1
287.05435	100.0
288.05765	2.7
329.06262	0.1
353.51373	0.1
433.11188	3.1
434.11472	0.1
465.77454	0.1
479.92053	0.1
595.22137	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	595.1653
Annotation	Pelargonin
Peak:m/z	Relative Intensity
57.03437	0.1
61.02899	0.1
64.95832	0.1
65.03937	0.1
66.37363	0.1
67.01861	0.4
68.87309	0.1
68.99793	0.3
69.03406	0.2
70.06573	0.1
71.04965	0.2
81.03410	0.2
85.02893	1.6
88.01306	0.1
91.05474	0.3
97.02872	0.4
109.02834	0.2
119.04932	1.5
121.02849	0.7
127.03898	0.3
129.05447	0.1
145.02826	0.5
145.04941	0.3
153.01805	4.2
154.02100	0.1
161.02206	0.1
163.03880	0.6
171.02916	0.4
181.04941	0.1
187.03932	0.1
197.06078	0.1
203.07018	0.2
225.05460	0.3
229.04932	0.3
243.06311	0.4
247.06062	0.1
271.05966	100.0
272.06323	2.4
287.05466	6.4
288.05777	0.3
433.11264	0.9
449.10629	0.8
595.18976	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	595.1655
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
55.01861	0.2
57.03420	0.5
60.63206	0.1
66.60186	0.1
67.01851	0.3
67.05501	0.1
68.99784	0.3
69.03426	0.3
70.06586	0.2
70.42183	0.2
71.04985	3.6
75.04478	0.3
79.05466	0.1
81.03413	0.2
81.06993	0.2
84.04503	0.3
84.08146	0.1
85.02890	4.8
86.09712	0.1
93.07084	0.1
93.59191	0.2
95.04951	0.1
97.02888	0.2
99.04436	0.2
107.04910	0.2
109.02847	0.3
109.10093	0.3
111.04455	0.2
117.03447	0.2
119.04926	0.2
119.11766	0.1
120.08030	0.1
121.02833	0.3
127.03934	0.2
129.05467	1.1
130.04988	0.2
135.04410	0.9
137.02299	0.5
137.09607	0.4
147.06448	0.1
153.01804	3.9
161.02350	0.4
163.03891	0.2
165.09113	0.2
171.02832	0.3
175.03711	0.2
196.34167	0.2
231.06375	0.2
234.08638	0.1
241.04883	0.6
256.33307	0.1
258.05301	0.1
269.04437	0.4
271.06000	3.4
287.05447	100.0
288.05783	3.2
303.04895	0.3
317.18481	0.1
329.06378	0.3
449.10724	10.7
450.11005	0.4
594.22394	0.2
595.22473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2546
Annotation	Shizukaol N
Peak:m/z	Relative Intensity
63.85161	1.4
71.54611	1.6
87.30805	1.5
91.05495	3.2
93.07032	2.7
105.07014	2.6
121.10088	1.9
122.41226	1.5
148.93761	1.5
167.10651	2.0
195.09212	1.7
249.10138	3.4
263.11804	1.8
311.22250	2.3
327.13770	2.1
339.13553	3.0
354.16006	2.1
375.16364	2.1
377.17734	2.4
382.15710	2.0
390.18622	3.1
391.19116	10.9
392.19849	4.5
398.14996	4.8
403.19388	2.1
405.20651	7.9
406.21625	2.6
407.22156	3.7
419.18097	3.8
420.23029	3.0
430.17682	3.9
434.21115	4.2
437.19254	3.1
442.17816	3.6
449.19662	4.5
451.20816	9.9
459.17908	2.1
461.19870	1.8
464.21982	3.8
465.22766	3.8
473.19659	2.2
489.22852	5.8
490.20255	6.1
493.22354	11.8
503.20383	2.5
507.24130	11.9
517.22601	7.8
535.23193	9.7
537.24805	5.1
539.26361	14.7
549.24860	2.5
551.22931	15.5
563.22772	46.8
565.24652	2.6
566.25104	20.9
567.25934	100.0
568.26416	5.8
577.24500	14.0
595.25372	76.6
595.45538	19.0
596.25714	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	595.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
57.07070	18.6
59.38693	1.5
62.67492	1.5
67.05494	5.0
69.07068	4.5
71.08611	9.5
77.64098	1.7
81.07037	8.1
81.59264	1.6
83.08602	3.3
83.37923	1.6
85.10188	7.9
93.09972	1.8
95.08597	5.3
97.10172	3.2
111.11577	2.1
111.95496	1.6
120.96641	4.1
127.63880	1.7
127.88983	1.8
176.99283	6.5
185.37448	1.6
195.00371	4.0
203.05211	8.6
265.00858	17.6
283.01834	37.0
287.05389	2.1
313.27328	26.7
353.26614	3.3
357.05350	2.6
415.22086	45.0
433.23337	7.4
577.27637	5.9
595.28461	100.0
596.28638	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	595.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.7
57.03426	6.7
57.80741	2.7
67.05499	36.1
69.07056	12.5
76.39440	2.8
79.05496	15.9
81.03409	12.0
81.07042	29.4
83.08625	4.5
85.02887	4.0
91.05470	9.9
93.07047	24.8
95.04955	4.8
95.08593	23.0
98.98462	27.6
102.91438	2.7
104.10723	5.7
105.06988	5.2
107.08564	9.0
109.02859	8.8
109.10138	11.8
109.93968	2.7
121.10130	11.4
123.11756	2.9
131.08517	3.8
133.10069	3.5
135.11674	6.2
142.96333	2.7
145.10094	3.5
149.13243	4.6
154.62093	2.7
161.13257	3.3
261.03693	6.6
261.22037	3.5
335.07654	3.9
335.25735	100.0
336.25961	8.2
354.91656	3.1
373.46179	2.8
503.07834	3.6
543.95081	3.3
566.91406	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	596.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01863	24.5
56.05016	1.3
57.03443	1.0
59.04995	1.2
62.09323	0.8
65.03935	1.2
66.14022	1.0
67.05474	1.1
68.99767	2.1
69.03416	8.3
74.00665	2.3
76.02220	2.5
76.03985	2.9
81.03397	4.8
83.06088	8.5
84.04491	29.8
85.02888	8.9
87.04465	5.0
91.05472	1.6
95.04974	1.4
97.02871	10.2
99.02633	4.2
99.04413	0.9
99.05574	2.3
103.03944	2.7
104.58519	0.9
109.02881	3.1
110.07065	1.0
111.00739	1.3
111.04436	3.6
112.03955	17.5
115.03913	75.4
119.04936	1.5
121.02839	1.4
123.02679	0.9
123.04401	11.2
124.04764	2.7
127.02116	15.7
127.03873	8.9
129.06580	15.1
130.04982	78.4
133.04951	8.2
135.02621	9.3
135.04408	2.6
139.03879	73.7
140.04181	4.3
141.05476	1.5
145.04971	2.2
147.04359	4.2
147.07768	1.0
149.00574	1.1
149.02293	1.4
151.02132	1.6
151.03879	7.1
152.04266	1.2
153.03658	1.7
153.05533	1.2
155.01590	27.8
161.05991	2.0
162.02188	0.9
163.02130	13.0
163.03899	21.2
164.04327	1.0
165.00084	2.0
165.05458	3.7
167.01671	1.8
167.03383	1.4
175.02094	2.5
175.03905	1.7
175.05995	2.8
177.05426	1.0
178.03314	1.8
179.01604	19.5
179.03358	4.2
179.04787	1.2
180.03687	1.2
181.03242	5.2
181.04684	1.7
181.06207	1.6
183.01082	41.9
184.01414	1.1
189.00081	3.6
189.05478	1.7
191.01582	13.3
191.03223	1.2
193.03145	1.5
193.04924	1.1
195.01088	1.8
196.04272	3.4
199.04054	0.9
199.05783	1.7
199.07336	1.3
203.01585	8.4
203.03351	2.1
203.06961	1.5
204.03685	1.3
207.01117	2.8
207.06525	3.2
208.04240	3.4
209.02661	16.2
213.05411	1.1
217.05013	1.7
217.06995	7.3
219.01137	1.7
226.05203	5.4
231.06427	5.7
237.02184	2.1
242.05692	3.0
245.04480	2.9
246.04868	1.1
249.07564	10.0
257.04590	1.9
258.04874	2.0
259.05765	1.1
259.08209	5.4
262.05142	1.2
267.08862	1.0
269.04449	0.9
270.05109	5.3
271.05957	1.5
272.11157	1.3
275.05780	1.4
276.05743	2.0
277.09103	2.3
279.14578	0.9
281.05811	2.4
282.04239	14.9
287.05472	5.5
288.05844	6.2
291.08517	1.0
292.09210	1.0
299.05582	1.8
300.05939	1.5
303.03174	19.1
305.06088	1.3
306.75601	0.9
308.09250	1.2
312.05338	19.3
317.06534	1.8
318.06812	1.9
321.04031	1.5
329.07974	100.0
330.08191	1.8
346.07272	2.4
347.05862	2.9
357.04504	1.1
365.08020	2.3
381.11758	1.0
383.08987	15.1
395.09195	1.5
409.09033	2.1
410.09613	4.4
425.08963	1.0
426.08951	1.3
427.10229	1.2
428.10254	1.2
432.07413	2.9
440.11298	2.1
449.10019	5.1
452.10526	1.4
458.12225	53.2
459.12616	1.3
467.10995	1.2
503.11081	6.1
521.12164	12.6
578.14148	1.5
596.15344	2.8
597.09576	1.1
616.95258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15941	1.2
53.18844	1.4
55.01859	11.0
56.05033	1.9
65.03932	2.9
68.99781	3.2
69.58028	6.1
70.02945	3.8
70.06582	1.8
74.00662	2.1
74.02435	2.1
74.45983	1.2
76.03976	2.7
81.03414	1.3
83.04969	1.3
83.06073	11.3
84.04492	22.9
85.62859	1.3
97.02869	1.9
99.05540	3.3
101.75057	1.3
107.04975	2.3
107.06060	2.5
109.02889	2.8
109.07621	4.5
110.06014	1.7
111.00816	1.5
111.04441	8.3
112.03957	10.2
115.03926	6.9
116.01666	2.0
119.04913	2.8
123.02624	1.6
123.04420	9.3
124.04764	1.6
127.03902	14.3
128.04234	4.1
129.06575	19.4
130.04979	42.1
133.04956	1.4
135.02634	5.0
135.04388	5.8
135.05368	1.6
136.02136	2.5
136.04715	2.1
137.00581	2.2
139.03877	73.9
140.04237	3.5
141.00026	1.7
145.06067	16.7
147.04390	5.4
148.05168	11.9
149.00548	10.1
149.02356	1.6
149.04744	2.2
151.02124	2.4
151.03847	2.7
153.03665	4.5
153.06575	5.6
155.01601	27.8
155.03387	2.7
155.08162	5.0
162.03738	5.9
162.05412	7.9
163.02144	13.4
163.03894	34.0
164.01648	2.4
165.00044	5.5
167.01608	6.2
167.03214	1.8
175.02153	1.7
175.06271	5.6
177.03339	2.1
177.05511	1.5
179.01637	17.7
179.03217	2.7
181.03159	23.8
181.06076	2.6
182.02689	5.9
183.01128	5.2
184.04150	1.7
190.03195	4.5
191.01614	2.7
195.01123	1.7
196.04251	8.1
199.07162	5.4
207.01172	1.6
208.04254	31.3
209.02638	6.1
211.02005	1.3
219.01100	3.9
220.04202	3.3
226.05365	4.6
229.03094	2.4
236.03787	1.6
236.79709	1.4
257.02533	10.6
265.06287	2.1
270.05020	8.8
271.05917	2.2
272.06485	2.2
282.04306	5.2
285.02136	5.7
287.06784	5.3
288.00787	3.4
290.07495	2.0
296.06747	2.3
299.06934	31.8
303.03165	99.7
311.06888	100.0
312.05420	5.3
329.04587	5.5
329.07990	26.9
337.08502	1.8
346.07446	4.1
353.07898	3.4
364.08255	2.2
365.08099	3.2
383.09045	22.7
432.07233	1.9
440.11154	2.1
449.10034	18.4
458.12164	28.9
460.10806	1.4
503.11105	17.3
521.12073	16.6
578.13434	2.2
596.21765	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	596.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01864	5.9
57.03419	1.7
57.20713	0.5
59.04986	1.7
61.02910	0.6
64.89070	0.4
65.61007	0.4
69.03416	10.9
73.02917	0.9
76.25677	0.4
81.03405	3.1
84.04482	0.7
85.02888	10.7
86.03253	0.4
87.04448	5.4
91.03925	0.5
97.02872	15.1
98.23516	0.9
99.04463	1.2
103.03932	3.9
106.59424	0.4
109.02862	5.3
112.03906	0.6
115.03911	100.0
116.04253	1.4
123.04398	2.5
124.04759	0.5
127.02147	0.5
127.03903	7.6
128.04262	0.7
130.04968	1.2
133.02827	0.7
133.04945	10.8
137.05939	0.5
139.03870	4.9
140.04239	1.2
141.05481	2.1
145.04955	3.8
147.04390	1.1
151.03893	1.1
155.01488	0.6
157.04953	1.3
161.05946	0.6
163.03859	1.1
165.05513	1.2
175.03845	1.1
175.05991	3.4
177.05467	1.5
179.03326	1.0
179.07040	0.7
180.03629	0.5
183.01143	0.6
187.05948	1.0
191.07056	0.9
199.04086	0.9
199.05997	2.9
203.03476	1.0
203.07068	1.5
207.06479	3.0
217.05055	0.8
217.07011	9.9
231.06462	5.9
235.08125	0.6
241.07054	0.6
246.04912	0.6
249.07536	12.0
250.07895	0.5
257.04367	0.7
258.04791	0.8
259.08060	7.0
267.08682	0.7
271.05939	0.6
276.05780	1.0
277.09106	4.2
287.05386	0.9
288.05820	1.2
299.05521	0.5
329.08038	2.2
363.10599	0.8
381.11795	1.3
410.09494	1.1
419.86151	0.4
458.12091	1.0
509.59406	0.5
597.09924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56568	0.4
57.03419	0.6
60.04504	0.9
69.03412	1.4
69.07048	0.8
70.06575	0.9
71.04983	0.6
74.06068	1.4
79.05473	1.2
81.03406	1.0
81.07044	0.9
81.25542	0.4
83.04984	0.7
84.04484	0.7
85.02889	2.8
86.09695	11.1
89.03896	4.7
89.78281	0.4
91.05457	0.6
93.07008	1.2
95.04990	0.8
95.08553	0.6
97.02863	0.6
99.04468	0.5
103.05447	1.4
105.07004	1.4
107.04935	1.5
107.08599	1.1
109.10149	0.6
116.07104	0.5
117.03361	6.8
119.08545	0.7
120.08131	2.1
121.06533	0.5
121.10171	0.7
131.04907	3.8
133.02773	0.7
133.10101	0.6
135.04398	16.3
135.07947	0.5
137.05997	0.5
143.08177	0.4
145.01682	0.6
145.02826	11.5
145.10141	0.6
148.05190	2.1
161.05920	0.5
161.09225	0.6
163.03879	100.0
163.07457	3.7
164.04240	1.4
166.08612	0.9
167.06995	0.5
173.13086	0.4
178.64937	0.4
181.04895	0.6
189.08765	1.2
191.10593	0.7
225.12291	1.7
237.07530	11.0
237.11118	2.3
243.13400	1.2
267.15726	0.6
287.05502	1.9
288.05634	2.1
325.09344	0.6
326.17007	1.1
399.12561	2.1
413.20218	0.9
586.57074	0.4
596.32379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09780	0.6
55.01870	1.4
57.03438	4.6
61.02914	0.8
63.57973	0.6
64.06221	0.7
64.53478	0.8
69.03429	3.5
69.60137	2.0
69.60484	1.0
70.06617	0.7
75.04453	1.7
77.03876	0.6
77.22388	0.6
81.03397	1.8
83.66579	0.6
85.02892	10.5
94.11487	0.7
95.04991	0.7
97.02886	7.0
98.22710	0.9
103.03941	2.2
103.05453	26.9
105.07029	3.9
109.02878	2.0
113.03471	0.9
115.03971	1.1
115.05489	0.9
123.04414	2.7
127.03914	3.5
130.04124	5.3
131.04910	100.0
132.05260	1.0
133.06464	4.5
135.04404	1.1
137.05954	2.0
139.03865	2.3
145.04953	2.0
147.08006	0.9
148.05173	48.8
149.05536	1.4
149.60074	0.7
150.06714	1.0
159.08099	1.0
160.05209	1.3
161.05966	11.0
162.06706	3.9
163.07523	81.5
164.07915	1.9
165.09079	1.3
175.07567	2.7
189.09204	0.7
198.84010	0.7
201.09138	2.4
204.07858	1.0
205.08620	1.8
209.05524	1.7
219.10287	3.2
237.11198	43.1
238.11452	1.1
255.12231	1.9
356.28546	0.7
399.16437	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	596.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.8
57.03431	4.0
65.03927	2.8
67.05493	66.6
69.07067	12.6
69.27586	4.6
69.27989	10.6
71.04983	3.5
71.08618	2.3
79.05484	39.6
81.03416	4.0
81.07044	67.5
83.08609	7.5
85.06545	3.3
87.85933	2.4
91.05461	30.9
93.07029	58.4
95.04942	4.0
95.08599	51.9
97.06595	2.3
97.10165	3.0
105.07015	20.4
107.08581	32.5
109.02841	4.6
109.10139	27.1
110.03643	3.3
117.00505	2.2
117.07005	6.8
119.08542	13.4
121.10130	30.2
123.11671	16.7
127.03906	2.7
131.08559	23.4
133.10120	13.5
135.11676	27.6
137.09711	2.6
137.13220	6.8
145.10114	16.1
147.11655	12.7
149.13234	22.3
151.11099	3.1
153.12735	3.5
159.11681	14.2
161.13216	16.5
163.14835	14.9
173.13243	9.6
175.14771	3.6
177.16327	6.4
187.14789	10.4
191.00023	2.5
201.16241	3.9
205.07933	2.5
215.18098	2.8
243.21031	33.4
261.22104	100.0
262.22385	2.8
279.23145	3.9
301.20114	9.1
335.25714	16.0
353.26801	29.7
364.63635	2.4
537.29742	3.7
538.30719	9.2
561.27490	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	597.16
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
50.44803	0.2
65.03929	0.4
66.05724	0.3
67.01848	0.6
67.05525	0.3
68.99767	0.4
69.03409	0.3
69.42696	0.5
69.43082	0.7
74.65376	0.2
81.03413	0.8
81.07074	0.3
85.02883	0.7
91.05466	1.7
95.04930	0.3
97.02865	0.2
98.22704	0.3
105.07024	0.4
109.02855	0.5
119.04929	5.9
121.02829	1.1
121.10108	0.6
123.04451	0.5
127.03971	0.3
137.05981	0.7
145.02827	1.1
147.04393	22.9
148.04729	0.3
151.03906	0.6
153.01817	4.6
163.03897	0.6
165.05515	0.5
167.07040	0.6
171.02875	1.2
191.06993	0.4
203.06946	0.5
225.05429	0.5
229.04768	0.4
243.06506	0.3
271.05972	100.0
272.06320	2.7
288.05707	0.3
289.06009	0.4
291.08664	1.2
309.09592	0.6
375.08353	0.3
579.14423	0.4
597.23804	1.2
597.33441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1598
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 3'-(6-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
53.58457	0.3
63.05177	0.4
67.01866	0.5
69.03416	0.4
71.43240	0.4
81.03405	1.1
85.02882	0.4
91.05463	2.4
93.29268	0.3
95.04973	0.5
107.04889	0.3
109.02829	0.6
115.30488	0.3
119.04932	5.4
121.02830	0.8
123.04404	0.4
124.00568	0.4
135.11620	0.4
137.05977	0.7
145.02887	0.8
147.04381	21.1
151.03796	0.5
151.07455	0.4
151.37729	0.4
153.01781	4.6
163.03889	0.7
163.07494	0.4
165.05449	0.7
167.06976	0.7
171.02914	1.2
203.06966	0.7
203.25764	0.4
205.04938	2.0
216.32115	0.4
225.05528	0.8
229.04883	0.6
239.36443	0.4
271.05957	100.0
272.06250	3.0
291.08618	1.3
309.09674	0.6
319.03683	0.6
425.95517	0.3
579.14471	0.6
597.20062	0.8
597.33795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2299
Annotation	Kadsuphilol C
Peak:m/z	Relative Intensity
62.50900	0.4
79.05501	0.4
81.03396	0.6
81.22701	0.3
85.02902	0.7
87.00542	0.4
93.07078	0.4
98.80583	0.4
103.05452	0.4
105.07034	0.6
115.05455	0.4
117.07015	0.6
127.03055	0.4
127.03915	0.5
131.08524	0.4
137.05984	0.7
145.06508	0.8
163.03871	0.5
167.07005	2.5
173.05992	2.3
175.03641	10.8
175.05157	0.6
175.94281	0.3
188.04504	1.2
190.06267	1.1
191.07010	0.4
192.41525	0.4
202.06065	0.9
203.06934	0.6
204.07561	1.7
205.08559	3.6
217.08481	2.7
219.06325	1.7
220.06810	0.4
226.14514	0.4
235.09634	1.1
265.10803	0.9
287.05560	0.9
289.06247	0.4
330.11237	0.4
332.75641	0.4
383.14801	0.5
385.12488	3.9
399.13995	4.7
399.18314	0.4
401.15970	0.6
415.13489	0.4
520.33069	0.4
523.36420	0.4
553.76794	0.4
597.22986	100.0
598.23401	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	597.3024
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03928	1.8
55.05502	15.5
57.03433	6.5
57.07072	3.2
57.31175	1.6
60.93812	1.3
63.03897	1.4
67.05495	39.1
69.03380	1.5
69.07059	18.6
69.07394	1.8
69.31631	1.5
70.08358	1.9
70.57587	3.3
79.05474	12.1
81.03400	8.2
81.07043	37.6
82.64626	1.6
83.08619	7.4
85.06542	1.6
91.05470	11.5
92.07959	1.6
93.07036	14.3
95.04940	2.4
95.08587	24.0
97.06535	3.2
97.10153	4.0
98.98457	24.2
102.52238	1.7
105.07009	8.3
107.08570	9.3
109.02850	9.1
109.06498	2.6
109.09522	1.6
109.10146	10.6
111.57661	1.6
117.07071	1.8
119.08558	7.6
121.10146	10.9
123.08064	3.2
123.11679	7.1
123.63835	1.6
126.95610	1.7
127.03864	2.9
131.01802	1.7
131.08578	2.2
133.10132	5.7
135.08018	1.7
135.11685	3.0
143.08586	3.2
145.10123	3.2
147.11667	3.2
149.09669	2.6
151.11186	2.1
155.01022	3.8
155.08545	1.6
157.10126	3.7
159.08026	1.6
159.11676	1.7
161.13216	2.3
163.06058	2.9
167.10727	5.4
173.13245	2.6
189.12755	1.9
195.11713	2.3
211.88164	1.9
261.03625	7.6
263.23544	2.5
271.60614	1.7
301.20184	13.2
319.21115	2.2
335.07376	2.4
337.27319	100.0
338.27737	3.4
424.80038	1.8
491.87683	1.7
505.79630	1.7
537.30023	7.6
546.27106	1.5
579.38416	2.3
597.39490	10.5
607.58032	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.58377	1.0
61.02923	1.5
63.98563	1.0
69.03416	2.2
69.31422	1.9
69.31819	3.8
79.05490	4.6
81.03409	12.6
81.82885	0.9
85.02885	10.2
85.93829	0.9
95.04958	2.0
97.02883	3.0
98.23399	2.5
105.07011	1.1
107.04955	9.4
114.17661	0.9
115.05429	7.2
117.07008	16.1
121.06476	1.6
123.04408	3.5
124.05186	2.3
127.03891	1.8
128.06209	1.3
129.06989	2.3
131.04926	1.8
131.08524	3.5
132.05627	1.0
133.06503	1.5
137.05959	0.9
141.06943	1.4
144.05681	2.5
145.04839	2.1
145.06474	33.8
147.08119	1.1
152.04756	1.6
153.05449	1.4
155.05977	7.0
156.05661	5.6
157.06496	1.8
159.08070	5.6
161.05986	4.2
167.07019	45.7
173.05956	53.5
174.06409	1.3
175.03871	1.0
175.07587	1.5
180.08653	3.9
181.04910	1.5
184.05176	2.2
187.07472	6.1
190.06223	36.3
191.06924	2.1
193.08588	3.2
195.06572	1.0
202.06239	3.4
203.06960	6.2
205.08574	100.0
206.08945	2.4
207.06422	1.8
217.08556	40.5
219.08209	1.3
219.10179	3.6
223.09593	3.9
235.09604	29.9
247.07425	2.3
247.09677	6.6
248.08209	1.3
263.10727	1.3
264.07718	1.0
265.10681	26.7
271.09576	1.9
279.10104	1.7
291.10101	1.7
315.08466	4.9
316.09003	1.0
317.15338	1.0
323.12766	1.9
330.10883	6.2
331.08145	1.2
331.11749	3.1
339.12354	1.4
343.11404	1.2
351.12210	5.2
371.14856	2.3
383.14825	10.6
401.15823	8.9
402.16702	1.5
524.79901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.2
57.03429	0.3
57.33722	0.2
63.02354	0.5
69.03411	0.3
69.35153	1.2
79.05470	0.8
81.03401	0.5
81.07037	0.2
85.02876	0.7
89.03899	4.5
95.04958	0.4
97.02859	0.3
100.11230	0.3
107.04925	1.5
111.04387	0.2
114.23850	0.2
117.03362	5.6
117.06988	0.4
123.04457	0.3
127.03792	0.2
131.04948	0.2
133.06468	0.3
135.04395	14.6
137.05945	0.4
145.02827	10.3
145.06464	0.7
163.03873	100.0
164.04198	2.0
167.07016	1.2
173.06000	1.0
175.07547	0.5
190.06209	0.7
205.08571	2.3
210.14905	0.3
217.08554	0.8
235.09615	0.4
237.07529	9.7
265.10748	0.6
288.05878	0.2
315.08517	0.3
325.09195	0.3
401.15784	0.9
419.17102	1.0
609.97107	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	598.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.0
57.03438	4.8
69.03400	1.2
70.61617	1.1
75.04460	2.3
79.05471	1.5
81.03405	0.7
85.02889	3.3
89.24500	0.5
89.96075	0.5
94.04168	0.8
97.02895	0.8
103.05420	2.0
105.07015	24.0
105.07732	1.3
107.04941	2.1
116.91249	0.5
117.07034	0.7
122.03631	1.8
123.04369	1.5
127.03901	0.7
133.06462	57.8
134.06891	0.7
135.07983	0.7
137.05951	100.0
138.06311	1.3
139.03889	2.6
145.05002	0.8
149.05984	0.6
151.07538	1.0
163.03833	0.8
163.07536	4.7
165.09087	31.9
165.49896	0.6
175.07523	3.1
177.09070	1.0
181.08571	2.3
183.08498	0.9
183.10136	18.1
203.10672	1.8
209.11639	1.2
221.11703	3.3
237.00575	0.6
239.12700	3.2
257.13788	90.5
258.14172	2.4
289.07034	0.7
302.66214	0.6
311.05286	0.9
330.28693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.5
57.07060	17.6
57.70883	3.4
59.33661	2.7
67.05162	4.6
67.05497	64.4
69.03425	3.5
69.07057	21.4
70.06579	16.1
71.08609	6.3
71.44868	3.2
73.30421	2.9
79.05479	19.8
80.62823	3.0
81.03402	4.1
81.07045	63.0
83.04972	3.7
83.08595	15.6
88.07619	22.7
91.05466	17.2
93.07031	20.7
95.04958	4.5
95.08592	64.0
97.06512	7.8
97.10155	8.2
102.09158	14.0
105.03377	13.5
105.07014	12.9
107.08611	16.7
109.02843	4.6
109.10150	28.8
111.11721	3.7
119.08537	11.0
121.10140	22.9
123.11683	17.3
125.67669	3.3
127.03886	4.4
133.10101	16.5
135.11681	9.0
147.08022	4.6
147.11673	7.8
149.02339	10.0
149.04840	5.6
149.05962	67.4
149.13231	6.4
151.14789	7.0
156.36633	3.4
161.13235	8.9
163.14740	6.8
165.09155	3.8
165.16370	8.7
167.10617	8.0
170.10562	3.7
175.14803	6.6
179.17961	7.7
189.16360	3.2
193.04919	12.7
213.12656	3.4
214.67580	3.3
221.15372	6.2
231.16805	3.2
245.22600	47.2
246.23067	3.7
263.23651	61.4
284.29456	55.0
297.07486	12.7
329.04007	3.3
337.27405	38.7
338.27670	4.3
341.10159	56.7
563.28680	8.9
590.31482	3.8
598.27686	6.9
598.37256	100.0
599.37280	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	598.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05235	1.5
53.71029	1.6
60.04506	4.6
67.05496	2.2
69.07079	1.8
69.19078	10.6
77.35074	1.4
81.07039	3.0
83.08601	1.5
85.02886	2.4
85.46592	1.8
86.09698	100.0
90.31959	1.7
93.07043	2.0
95.08596	3.3
98.09650	9.6
99.05551	4.1
119.08582	1.5
127.05030	7.5
137.09555	2.1
139.05003	1.9
143.11765	17.1
145.06078	5.7
154.15909	7.2
156.07646	3.9
165.09041	1.7
167.11807	2.3
171.11327	8.4
178.04858	1.7
183.11331	2.6
184.07147	8.6
185.12834	6.9
195.11241	4.7
199.18062	1.8
211.18040	21.3
213.12323	4.0
227.17688	1.6
228.13544	2.2
229.92860	1.7
235.58278	1.6
239.17508	5.5
239.19801	2.1
240.13506	3.6
241.91391	1.7
252.13423	5.5
258.14459	3.9
269.15939	3.7
270.14468	6.6
284.19623	2.6
287.17062	2.8
296.19543	3.3
297.15594	2.1
314.85529	1.7
315.16440	1.8
326.18091	4.8
327.16443	2.2
344.19025	1.8
346.93793	1.7
354.17917	3.1
383.22925	4.9
386.21222	1.9
400.25220	2.1
410.23914	3.6
428.24951	3.5
440.25287	3.1
454.29977	2.3
457.27640	6.3
467.26086	12.5
485.27048	7.8
485.77509	1.9
496.30902	5.4
552.34827	2.0
553.33716	3.1
562.33051	5.1
570.36115	17.7
580.34338	20.9
598.29218	3.1
599.23999	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	599.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32152	0.3
55.01856	1.0
57.03428	0.7
61.02928	0.3
70.06580	0.8
70.69691	0.6
73.02884	0.5
77.03927	0.8
79.05468	1.1
81.03419	0.9
85.02907	2.2
91.05471	0.8
95.01314	0.5
95.04941	1.9
97.02864	1.2
103.03932	0.8
103.05424	0.4
103.29953	0.4
105.04512	0.8
105.07053	0.4
107.04935	100.0
108.05274	1.4
109.02870	0.7
119.04910	0.6
120.20786	0.4
121.02866	1.9
121.06480	0.7
123.04417	0.8
127.03902	0.5
131.04903	1.9
133.06483	0.4
135.04411	0.8
136.07559	1.7
137.05942	1.1
139.03860	1.1
145.02621	0.4
145.06458	1.0
147.04416	1.5
149.05931	1.4
151.03883	1.4
151.45293	0.3
157.06464	0.6
159.04422	1.1
161.05908	1.2
161.46283	0.4
163.03871	2.9
164.06998	2.8
165.05493	0.5
171.04404	0.8
173.05922	1.0
175.03862	2.7
177.05435	1.7
178.30234	0.4
181.04953	2.8
181.06409	0.7
185.05939	0.9
187.03900	1.9
187.07478	0.6
189.05421	1.3
191.03378	1.0
193.04930	3.3
197.05927	0.5
199.03857	0.7
199.07747	0.5
201.05415	2.2
203.03232	0.8
203.07022	0.9
205.04907	5.6
213.05412	1.0
215.06876	0.6
217.04903	6.0
219.02733	0.6
219.06421	2.0
221.04422	1.7
223.05878	2.0
225.05478	0.7
227.06911	0.5
229.04967	2.3
231.06425	1.9
233.04414	0.8
235.05939	3.3
239.06970	0.5
241.04839	1.6
243.06444	1.5
245.04382	0.6
245.07918	0.7
247.05931	3.7
249.11153	1.9
255.06346	0.9
257.08078	0.5
259.05966	7.0
271.05997	3.3
273.07513	1.2
277.06931	2.0
279.06418	0.5
283.05820	1.9
285.07455	0.9
287.05472	0.6
287.09036	0.8
289.06946	2.1
293.07947	0.5
295.05673	0.6
297.07632	1.3
299.09055	1.4
301.07013	3.7
305.08044	0.4
311.09161	1.2
313.07083	2.4
317.10031	1.0
323.08963	1.0
325.06992	2.4
327.08487	0.7
329.10184	2.8
341.10138	3.6
343.07993	0.8
353.10178	5.5
359.11429	0.4
361.09216	0.5
365.10129	4.9
366.15057	0.4
377.10214	2.0
383.11157	7.0
389.09937	0.9
393.09525	0.5
395.11200	7.8
407.11157	8.1
413.12347	2.5
419.11044	5.1
425.12277	3.9
429.11755	0.6
431.13281	8.3
443.13379	2.6
449.12216	4.4
461.12619	3.6
467.13269	2.5
473.12088	1.1
479.13239	4.3
485.14105	2.6
491.13327	1.4
497.14310	6.6
509.14294	2.2
527.15405	1.8
545.16290	1.4
599.19476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01859	2.3
55.05501	9.8
57.07063	6.6
59.04993	3.3
67.05492	20.7
69.03423	9.3
69.07070	19.7
79.05481	17.4
81.07046	28.8
81.07491	2.3
83.04988	7.2
83.08611	7.5
85.06521	4.1
88.39639	1.9
89.06020	2.3
91.05464	26.0
93.07034	50.1
95.04950	18.8
95.08584	23.2
96.23250	1.8
97.02872	2.3
97.06523	7.1
98.23416	5.7
103.05472	2.9
105.04491	2.6
105.07016	37.1
107.08585	32.2
109.02853	2.4
109.06523	9.7
109.10146	15.9
110.85563	1.9
111.08111	3.5
111.11697	2.3
117.06992	9.1
119.04884	2.1
119.08569	37.4
119.09408	3.1
121.06491	6.7
121.10126	69.9
123.08056	13.9
123.11718	9.7
125.09636	5.2
127.03918	3.8
128.06223	4.7
129.07007	7.2
129.32240	1.8
130.07794	3.7
131.08546	20.4
133.06520	3.7
133.10112	27.6
135.08061	10.5
135.11716	10.4
137.09592	3.3
139.11191	6.0
141.07005	4.0
141.29901	2.0
142.07802	9.0
143.08566	20.5
144.09360	4.8
145.10109	31.6
147.08022	11.7
147.11688	10.4
149.05971	2.5
149.09604	17.6
149.13271	2.2
151.07524	17.9
153.06929	3.3
154.07730	3.1
155.08557	8.8
156.09326	9.2
156.80331	2.0
157.10123	27.3
158.10959	3.2
159.08101	7.9
159.11673	17.9
160.42601	2.0
161.09650	6.0
161.13243	6.2
163.11160	7.3
165.06995	2.6
165.09102	16.3
167.08528	4.7
167.10657	98.5
169.10104	15.8
170.10867	2.3
171.08020	2.1
171.11642	11.9
172.12398	2.4
173.09627	7.5
173.13239	11.9
173.79407	2.3
175.11197	4.9
175.14803	9.6
177.12811	2.0
179.08556	4.5
181.10106	6.1
181.12177	5.4
182.10918	5.1
183.07961	1.9
183.11624	12.5
185.09659	3.3
185.13222	9.0
187.11234	3.1
187.14903	5.6
189.12698	10.6
191.14304	4.3
192.09334	2.1
193.10175	6.9
194.10905	5.0
195.11647	9.8
196.12448	2.9
197.09660	2.4
197.13225	13.5
199.14882	6.4
201.12811	2.9
201.16418	2.5
203.14352	5.9
205.15942	3.9
207.11722	9.3
207.13858	7.5
208.12471	3.3
209.13309	8.8
209.15208	2.1
211.14824	6.8
213.12755	3.6
215.14397	7.2
219.11681	4.3
219.17415	3.2
221.13292	7.8
221.15413	28.8
222.15779	2.3
223.11050	3.2
223.14784	4.5
225.12819	4.3
225.16440	3.6
227.14487	2.2
229.44498	2.8
233.13188	4.5
233.15332	46.5
235.14844	5.5
239.17932	2.8
244.12280	2.1
245.13103	2.3
247.14764	4.4
247.17041	3.2
249.16322	2.7
251.14233	2.5
251.18085	2.3
257.19006	3.0
259.14783	4.9
261.16321	2.7
263.14154	2.2
263.17905	3.2
264.24072	2.9
271.20648	3.3
273.18622	2.8
275.17633	3.1
277.16006	2.9
283.20609	2.3
291.17441	2.0
299.20108	4.9
311.20160	7.9
317.89844	2.0
338.27408	2.2
362.42740	2.1
363.23187	2.6
365.24811	2.4
377.24918	3.0
379.25818	2.3
391.26367	4.5
393.24475	3.8
419.29340	3.6
425.30420	2.5
507.34583	2.3
581.39886	16.6
599.40857	100.0
600.40765	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	599.409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27496	1.0
53.03937	1.3
55.05497	4.0
57.07061	4.8
59.04980	1.9
65.03924	1.4
65.43864	0.8
67.05492	9.0
69.03427	7.8
69.07047	3.1
69.44195	4.7
79.05486	8.3
81.03372	0.9
81.07048	14.0
82.36765	0.8
83.04962	2.0
83.08621	2.5
84.32421	1.0
85.06535	3.3
91.05470	12.5
91.44253	0.8
93.07034	21.1
95.04946	7.3
95.08593	14.6
95.09150	1.7
97.06513	3.1
98.23389	2.1
103.05495	1.4
105.04517	1.0
105.07014	21.5
107.08584	11.2
109.06516	5.8
109.10132	5.4
111.04430	1.0
111.08051	1.7
113.55477	0.9
117.07001	6.6
119.08559	25.7
121.06490	3.7
121.10118	17.4
123.08038	10.7
125.05984	3.4
128.06203	3.1
129.06967	5.3
130.07765	2.5
131.08565	8.9
133.06526	1.3
133.10107	12.0
135.08014	10.8
135.11674	5.5
137.06053	1.9
137.09607	10.3
139.07536	1.5
141.06967	2.6
142.07767	5.7
143.08551	8.7
144.09351	3.1
145.06415	1.2
145.10117	15.0
147.08028	22.3
147.11685	4.2
149.09607	4.2
151.07527	7.5
153.07036	1.0
154.07817	1.3
155.08504	5.5
156.09334	4.8
157.10098	16.7
158.10942	1.2
159.08090	3.2
159.11670	7.4
161.09619	3.5
161.13226	6.6
163.10007	1.3
163.11130	6.8
165.09088	46.6
166.07747	1.1
167.08583	2.6
167.10677	6.0
168.09354	2.0
169.10066	7.4
170.10905	2.3
171.08035	1.7
171.11659	9.4
173.09627	3.4
173.13254	2.7
175.11205	2.7
175.14801	2.8
177.09102	1.9
177.12689	1.5
179.08478	2.0
180.09358	2.0
181.10210	4.4
181.12160	5.7
182.10873	2.6
183.11674	11.6
185.09651	2.2
185.13205	6.7
187.11153	2.0
187.14804	1.9
189.12721	3.7
191.10669	3.3
191.14380	1.7
193.10161	1.9
193.12224	1.6
194.10904	2.1
195.11647	5.5
195.13609	1.1
196.12384	1.5
197.13248	5.2
198.10559	1.2
199.11162	3.0
203.14284	17.4
203.16028	1.5
207.11742	2.3
207.13791	4.8
208.12318	1.0
209.13278	5.4
211.11217	2.1
211.14761	6.2
213.12659	2.7
215.14308	1.7
219.11693	1.2
219.13750	1.4
221.13336	3.5
221.15318	100.0
222.15710	1.4
223.11258	1.4
223.14818	1.7
225.12715	2.3
225.16516	1.3
227.14288	1.2
229.15950	2.3
232.52689	0.9
233.13312	1.5
233.15369	3.5
235.14801	1.1
239.14294	1.0
247.14664	2.3
247.16931	15.1
263.18036	1.4
271.16986	1.7
281.19052	1.7
285.18484	1.3
286.19165	1.4
287.20093	6.6
299.19971	5.6
301.21634	2.3
309.18378	1.2
311.19846	1.8
313.21640	1.7
323.86566	1.0
325.21606	1.9
327.23407	1.6
365.24713	4.2
391.26358	10.1
413.26852	2.0
419.29199	2.2
427.28372	5.0
453.30478	1.7
507.34546	7.1
519.34570	3.1
538.19342	1.6
581.39838	2.3
585.88068	1.0
599.40845	52.5
600.41150	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10799	1.5
51.29409	1.5
52.30299	1.7
52.63052	1.5
55.01849	1.6
55.05497	10.8
57.07074	7.2
59.04994	5.4
62.40709	1.6
64.74620	1.5
65.03931	3.4
67.05495	20.9
69.03416	9.9
69.07049	11.4
69.64034	1.7
71.04994	2.3
71.20905	2.2
73.06591	1.6
77.03915	2.2
79.05491	21.1
81.07047	25.3
83.04964	15.2
83.08620	7.1
85.06541	7.4
87.04456	2.8
91.05466	33.2
93.07034	36.5
93.07594	2.3
95.04951	20.5
95.08601	20.6
97.06486	8.2
103.05477	4.1
105.04547	3.0
105.07013	52.1
107.08569	40.7
107.09225	2.2
109.06511	14.0
109.10137	15.7
111.08106	3.4
115.05453	4.5
116.06203	2.0
117.06995	13.5
119.04964	2.0
119.08559	50.2
120.09335	1.9
121.06473	10.9
121.10113	36.1
123.08049	18.6
123.11728	4.4
124.03958	1.8
125.05998	3.4
125.09625	7.7
128.06221	8.3
129.06981	11.6
130.07809	3.5
131.08545	22.1
133.06490	4.0
133.10107	25.1
135.08011	14.3
135.11674	10.3
137.09561	11.3
139.07545	3.8
139.11191	2.2
141.06999	5.4
142.07742	13.6
143.08537	28.5
144.09326	8.3
145.06500	4.0
145.10110	33.7
147.08008	16.9
147.11636	8.9
149.09590	16.2
151.07507	15.9
151.11234	2.4
153.07048	2.1
153.09079	2.5
154.07823	2.4
155.08554	14.8
155.10661	2.6
156.09308	15.3
157.06470	2.3
157.10101	33.8
158.10942	3.6
159.08014	16.5
159.11650	20.5
161.09599	10.2
161.13272	5.1
163.11143	8.6
165.07016	4.0
165.09085	27.8
166.07770	2.2
167.08557	6.3
167.10643	22.9
168.09361	4.8
169.10103	21.0
170.10916	6.8
171.11674	20.5
173.09616	7.7
173.13239	10.8
175.11191	8.5
175.14896	3.4
177.09090	5.5
177.12750	1.9
179.08582	7.3
180.09401	4.1
181.10109	12.6
181.12263	6.0
182.10928	7.2
183.11661	19.3
185.09677	6.2
185.13225	7.8
187.11194	6.7
187.14832	4.6
189.12712	10.2
190.13487	1.9
191.14345	3.4
192.09406	4.2
193.10191	8.0
193.12016	1.9
194.10919	5.6
195.11676	15.8
195.13573	2.7
196.12442	4.5
197.09634	2.0
197.13232	14.3
199.11200	4.6
199.14838	5.8
201.12788	3.9
203.14294	11.4
206.10907	5.8
207.11736	11.2
207.13841	12.7
208.12473	4.3
209.13292	12.6
209.15292	3.6
211.11055	3.1
211.14886	7.1
213.12831	3.2
213.16396	1.9
215.14323	5.1
217.10182	2.1
217.15837	2.6
218.10858	2.8
219.11703	3.9
220.12566	3.5
221.13258	10.3
221.15405	48.8
223.11221	4.0
223.14830	10.5
225.12778	6.4
225.16354	3.2
227.14377	2.0
229.12337	2.3
231.11557	2.9
232.12502	3.4
233.13202	3.8
233.15302	34.4
234.14044	2.7
235.14847	6.5
236.15587	3.0
237.12709	4.1
237.14667	3.0
237.16649	3.2
241.15793	2.2
243.11780	2.9
244.12462	2.7
245.13351	4.5
246.13922	2.1
247.14746	5.7
247.17009	3.4
249.16460	3.9
251.14380	1.9
251.17842	3.7
255.17369	2.6
258.14072	3.3
259.14655	2.8
260.15558	1.9
261.16306	2.7
263.17947	3.8
265.19629	2.8
269.19067	3.9
271.17163	2.2
273.18680	3.1
279.17569	2.6
281.18893	8.2
285.18692	2.3
286.19235	3.4
287.20120	5.0
299.20105	6.9
311.20404	3.0
349.21509	3.6
364.24033	4.0
373.25284	3.3
377.24539	2.7
391.26422	2.2
441.30051	3.1
489.33524	3.4
493.32767	2.7
507.34641	83.2
508.34839	2.9
581.39746	5.8
599.40796	100.0
600.41107	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
65.03928	1.3
67.05493	1.6
68.99789	0.8
69.03421	1.2
70.06563	2.9
71.04959	0.6
72.08141	0.9
79.05482	1.2
81.03407	0.6
83.04978	2.7
84.08125	0.7
85.02897	1.9
86.09702	2.1
91.05467	2.4
93.03391	0.8
93.07043	0.8
95.04917	3.4
97.02867	2.8
102.05566	0.7
103.05451	3.6
104.04984	2.5
105.03381	0.6
105.07020	1.9
107.04932	1.6
110.06098	0.5
111.04432	1.9
115.05455	2.5
116.06294	0.5
116.70645	0.5
117.03380	1.2
117.06997	2.7
119.04958	0.8
119.08571	0.9
120.08062	0.6
121.02811	1.2
121.06522	1.5
122.06012	5.7
123.04456	1.2
128.06216	2.5
129.06995	6.7
130.06483	1.1
131.04921	3.3
131.08533	2.7
132.04453	4.0
133.02879	2.6
133.06479	1.7
134.06030	0.6
135.04440	1.7
136.07634	0.6
137.05940	0.7
139.03894	0.9
141.06973	3.7
143.04915	0.6
144.05701	1.0
145.02858	2.0
145.06458	6.8
146.06027	1.3
147.04413	1.9
147.08087	2.3
148.07576	2.0
149.05934	0.9
151.03920	0.8
155.04944	1.2
156.05724	1.1
156.08075	1.8
157.06464	10.8
158.07216	1.6
159.04408	2.0
159.08003	2.9
160.07587	0.6
161.02330	1.8
161.05984	2.2
163.03865	13.4
168.05751	0.7
169.06465	0.5
169.13318	0.9
171.04465	0.7
172.07578	2.3
173.02321	8.5
173.05925	6.3
174.06715	0.8
174.09181	1.0
175.07590	1.9
177.05486	0.6
179.03339	1.0
182.06007	1.1
183.04408	2.5
183.06795	0.5
184.05243	1.5
184.07573	2.0
185.05951	6.5
186.05379	0.6
187.03856	3.8
187.07587	1.6
189.01813	1.2
189.05437	1.2
191.03323	3.4
197.12852	0.7
199.03969	2.2
200.07053	3.3
201.05486	5.8
202.06235	1.6
202.08522	1.9
203.06966	5.0
203.08655	0.7
205.08522	0.6
207.02806	0.6
211.04016	0.9
213.05443	5.2
215.03404	2.7
215.08568	1.3
217.04916	0.7
217.10156	0.7
218.08139	1.0
223.06047	0.7
228.06540	1.1
229.04985	3.5
229.07149	1.0
230.05664	1.3
230.07970	0.8
231.02936	1.1
231.06364	1.5
231.08176	1.6
243.02971	2.0
243.07957	0.9
245.09557	1.0
246.07613	1.8
247.07790	0.9
255.08109	1.6
259.05646	3.0
261.04160	0.7
261.09180	0.9
271.07520	1.8
273.09113	2.6
275.07098	2.1
283.07578	0.6
286.06018	0.6
287.06979	2.1
289.08643	1.8
299.06931	3.7
300.19144	0.9
301.05267	0.9
301.08423	4.6
303.06494	2.8
304.07108	0.8
305.08032	3.1
317.07956	4.8
319.09714	1.3
321.07700	1.0
327.06641	2.1
329.08093	1.6
330.07748	0.7
331.06049	1.6
335.08981	0.8
344.09073	0.9
344.70004	0.6
345.07425	5.7
347.09140	1.8
362.10220	0.9
363.08755	2.2
372.08737	0.7
373.06851	3.4
390.09836	2.1
391.07852	3.5
408.10815	3.8
409.09280	1.2
418.69617	0.5
426.11749	1.2
435.15176	0.6
438.25125	0.6
554.16290	1.7
571.53796	0.6
582.15948	2.4
583.14777	0.7
600.17017	100.0
600.83240	0.7
601.17224	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	600.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.5
55.05495	0.8
58.69989	0.5
65.03925	1.3
67.05499	2.4
68.99787	0.5
69.03425	2.2
70.06596	0.6
77.03921	1.2
79.05486	2.3
81.03389	1.0
83.04961	4.0
85.02910	1.3
86.09682	0.9
89.03909	1.3
91.05470	4.6
93.03395	1.1
93.07029	1.1
95.04956	5.1
95.08624	0.5
97.02880	2.4
97.04591	0.5
97.74799	0.6
103.05452	7.1
104.04974	4.2
105.03368	0.7
105.04501	0.6
105.07009	3.2
106.06532	0.8
107.04945	2.0
111.04440	2.7
115.05449	4.2
117.03368	0.9
117.06990	5.1
118.06498	1.0
119.04936	0.9
119.08568	1.8
119.31104	0.6
120.08075	1.2
121.02869	1.1
121.06503	2.3
122.06020	10.8
123.04452	1.2
124.03939	1.1
128.06224	4.6
129.06984	10.3
130.06453	0.6
131.04909	5.9
131.08575	4.3
132.04437	10.1
132.05511	0.8
133.02827	2.6
133.06485	3.0
134.06012	0.7
135.04417	2.7
137.09628	0.6
139.03896	1.0
139.05426	1.0
141.06947	5.9
142.07822	0.6
143.04926	1.3
144.05664	1.7
144.08073	0.6
145.02843	2.1
145.06468	10.1
146.05977	1.6
146.07057	0.9
147.04410	2.4
147.06961	0.6
147.08035	2.5
148.07507	3.0
149.05971	1.6
151.03874	1.0
154.06482	1.1
155.04907	1.6
155.06081	1.3
156.05687	1.3
156.08112	2.2
157.02850	0.7
157.06471	14.9
158.06017	1.1
158.07253	2.3
159.04361	2.5
159.08038	6.7
160.07562	1.2
161.02319	2.3
161.05922	3.3
163.03883	13.6
166.08659	1.6
167.04926	0.7
168.05675	1.7
169.06432	0.8
171.04454	1.2
172.07559	3.8
173.02303	9.0
173.05940	7.6
174.06731	1.2
174.09135	1.2
175.03865	0.7
175.07526	4.2
179.03442	1.7
182.05992	1.3
183.04393	2.4
183.06802	1.2
184.05190	2.0
184.07556	3.2
185.05966	9.1
186.05396	0.6
187.03889	3.1
187.07564	2.6
189.01872	1.1
189.05429	1.0
191.03368	8.8
199.03885	2.2
200.07104	3.5
201.05432	6.5
201.07463	0.9
202.06172	2.0
202.07762	1.1
202.08560	1.8
203.07039	5.2
203.08693	0.9
205.04977	1.9
205.08536	0.6
207.02910	1.8
211.03879	1.1
212.04680	0.7
213.05428	4.9
215.03397	3.8
215.08553	1.6
217.04958	2.1
217.10086	0.7
218.08020	0.8
219.08125	0.6
227.08682	1.0
228.06587	1.4
229.04973	4.4
229.07129	1.3
230.05705	2.1
230.08029	1.3
231.02921	1.1
231.06537	2.2
231.08350	1.1
241.04843	0.6
243.02916	2.5
243.08109	0.8
245.09700	1.1
246.07620	2.0
247.07953	1.4
248.09009	1.2
249.11197	4.9
255.08147	1.1
257.04398	0.7
259.05826	5.6
261.03912	0.9
261.09164	1.8
263.07343	0.6
271.07382	2.6
272.17697	0.5
273.09045	2.7
274.06421	0.7
275.07120	2.0
283.07526	1.0
286.06082	0.6
287.07028	3.7
289.08539	2.7
291.10236	1.0
293.08173	1.0
299.06964	3.1
301.08484	4.6
303.06445	2.9
304.07373	0.9
305.07922	2.9
306.20480	0.7
307.09549	0.8
317.08084	6.0
318.08624	0.8
319.09323	2.1
321.07584	1.5
323.09161	0.7
327.06543	2.0
329.08215	1.2
330.07779	0.7
331.05960	1.6
335.09128	1.5
344.09048	0.9
345.07535	5.8
347.09082	1.3
355.06073	1.5
362.10114	0.9
363.08505	3.9
365.08893	2.2
373.07187	2.2
390.09644	2.0
391.07935	3.4
408.10754	15.3
409.10129	0.8
426.11899	2.0
554.16351	6.1
582.15930	14.0
583.15826	1.3
600.17029	100.0
601.17438	6.4
629.72894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.03419	0.9
61.02926	2.0
65.03939	2.1
67.05480	0.5
69.03413	3.1
69.49442	1.3
70.08899	0.4
73.02889	0.6
79.05505	0.4
81.03403	1.2
81.07063	0.7
85.02892	18.2
89.73891	0.4
91.05465	100.0
92.05795	1.6
93.07045	0.8
95.04948	0.4
97.02876	5.1
99.04417	0.6
99.95837	0.4
105.07018	0.4
109.02885	1.4
116.04939	0.8
127.03885	4.3
136.07555	1.5
137.05934	0.6
145.04941	6.5
151.03882	10.8
152.07016	1.0
163.03931	0.8
163.06007	1.9
164.06984	1.1
169.05077	0.4
173.80055	0.4
181.05019	0.5
193.05042	0.6
203.05313	0.4
206.04588	0.5
217.04922	0.5
241.08650	2.1
247.05783	0.4
258.55655	0.4
259.09628	5.5
283.09625	0.5
295.08307	0.7
431.02682	0.4
438.21591	0.9
478.06747	0.5
536.54645	0.4
600.17175	0.7
600.26971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35202	0.4
69.03429	0.8
70.06580	0.6
79.05476	0.5
81.07053	0.5
85.02888	2.4
86.09688	0.8
89.26978	0.4
89.51633	0.5
91.05485	2.0
97.02869	1.6
103.05423	0.4
107.04940	1.1
107.71576	0.4
109.02875	0.5
115.05424	1.2
117.07002	0.8
121.06508	0.7
123.04406	0.6
127.03915	0.6
128.06207	2.2
129.06984	5.3
131.08557	6.2
133.06503	0.8
134.11690	0.4
137.05954	1.7
141.06972	2.6
142.07755	0.6
143.08534	1.2
144.05659	2.3
145.04874	0.5
145.06450	1.9
146.07224	0.9
147.04414	1.0
152.06213	0.4
153.00621	0.4
153.06989	0.5
157.06480	2.8
158.07265	0.8
159.08040	10.9
161.05951	1.5
161.09581	4.2
164.06923	0.5
167.06967	2.5
168.62756	0.5
169.07607	1.7
170.07312	2.3
171.08054	2.2
172.05174	0.9
173.05943	1.8
174.06709	1.1
175.07552	1.1
179.06938	0.9
180.08643	0.5
185.05940	0.5
187.07536	8.4
189.05510	0.7
189.09077	4.0
190.06229	0.6
191.07025	0.6
193.08614	1.1
198.06737	0.8
199.07529	1.4
201.05521	0.7
203.06984	2.1
204.07799	5.6
205.08565	0.8
206.09334	0.8
216.07828	1.7
218.09393	0.7
219.10130	1.9
221.08115	0.5
221.11696	1.2
231.10138	3.6
234.08812	0.9
237.11180	0.6
249.11197	100.0
250.11516	1.9
267.12338	0.8
376.13004	0.6
392.17099	0.4
582.15271	0.6
584.07288	0.5
600.16498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30608	0.4
57.03427	0.6
65.07363	0.4
69.03417	1.0
70.06587	0.7
79.05476	0.6
85.02893	1.9
86.09689	0.5
91.05466	1.2
97.02868	1.1
103.05476	0.6
104.25182	0.4
105.06992	0.7
107.04954	0.9
115.05416	1.1
116.06186	0.9
117.07028	0.7
121.06415	0.6
128.06183	2.1
129.06993	4.8
131.04875	0.7
131.08559	6.3
131.47414	0.4
133.06459	1.1
133.10103	0.6
137.05952	1.5
141.06992	2.0
142.07738	1.0
143.08546	0.9
144.05644	2.2
145.05008	0.4
145.06422	2.2
146.07263	0.7
147.04340	0.7
147.07971	0.4
151.03830	0.4
153.06976	0.8
155.06012	0.4
157.06477	3.5
158.07237	0.6
159.08029	10.2
160.08360	0.4
161.05966	1.3
161.09581	3.1
163.03839	1.0
164.07130	0.4
167.04916	0.4
167.06967	2.0
169.06343	0.6
169.07587	1.2
170.07233	2.0
171.08012	1.8
172.04987	0.9
173.05922	1.5
174.06740	1.3
175.07555	1.4
178.06244	0.6
179.07059	0.6
180.08678	0.5
185.05968	0.7
187.07516	7.8
189.09073	4.2
190.06186	0.6
193.08534	0.6
198.06650	0.6
199.07539	1.4
201.84563	0.4
203.06979	1.7
204.07790	4.2
205.08498	0.4
206.09416	0.4
216.07805	1.4
217.08565	1.0
219.10150	1.7
221.11609	0.7
231.10126	2.5
237.11134	0.8
249.11191	100.0
250.11467	3.0
267.12274	0.7
397.16110	0.4
600.16284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85972	0.4
67.05468	0.5
69.03414	0.6
69.55869	1.4
69.56203	0.5
70.06587	0.8
79.05482	0.6
83.08601	0.5
85.02902	2.3
91.05457	1.8
93.07037	0.6
95.04996	0.5
97.02893	1.0
100.11270	0.5
103.05441	1.5
105.07038	1.2
107.04971	1.3
111.04396	0.7
115.05447	1.4
116.06178	0.5
117.06976	1.1
119.04955	0.7
128.06198	2.3
129.07010	4.9
131.04919	6.7
131.08557	7.2
133.06497	0.9
133.10132	0.6
135.04370	0.7
137.05960	1.6
139.05295	0.5
141.06975	2.5
143.08524	1.2
144.05650	2.7
145.06436	2.2
146.07246	0.9
147.04396	1.4
147.08026	0.5
149.05977	0.7
153.06998	0.5
157.06474	3.4
158.07199	0.7
159.08052	13.3
161.05960	1.0
161.09573	3.1
163.03865	2.1
163.07518	4.2
167.07027	2.3
167.13481	0.4
168.28378	0.4
169.07582	1.6
170.07262	2.7
171.08052	2.7
172.05174	0.9
173.05956	1.3
174.06651	1.0
175.07483	1.3
177.05457	0.8
187.07536	8.7
188.08151	0.8
189.05458	0.7
189.09067	4.2
190.06178	0.7
191.06992	0.7
193.08653	0.6
195.28804	0.4
198.06796	1.1
199.07523	1.6
201.05376	0.7
203.07025	1.8
204.07790	6.6
205.08565	1.3
216.07808	2.3
217.08537	0.5
219.10080	2.7
221.11702	1.7
223.06015	4.4
231.10138	3.9
234.08994	0.8
237.11246	0.8
249.11195	100.0
250.11520	2.8
261.34714	0.5
267.12271	1.0
275.05469	0.8
353.09827	0.8
419.79355	0.5
432.47833	0.7
600.16840	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40676	0.4
55.01862	1.1
55.05505	3.6
56.05013	0.6
57.03407	0.6
57.98797	0.8
58.99578	17.6
61.01116	0.6
65.03925	0.6
67.05495	7.3
67.46720	0.5
69.03426	0.9
69.07062	5.4
70.16509	0.9
71.04990	0.6
73.01093	0.8
76.02216	69.7
76.03986	2.5
78.00951	0.5
79.05482	6.0
80.05005	0.8
81.07047	10.9
83.04977	2.4
83.06081	1.8
83.08604	1.9
84.04492	15.1
85.06475	0.4
86.99028	3.3
87.97878	0.5
88.02192	1.5
91.05470	7.3
93.07034	8.1
95.04958	2.7
95.08598	6.9
97.06509	1.7
97.10162	0.8
99.05563	1.2
102.05501	0.6
105.07010	8.9
107.04933	2.6
107.08581	5.4
109.06521	3.7
109.10152	3.5
111.08122	0.7
114.03743	1.0
116.01666	21.4
117.07003	2.4
119.08559	5.9
121.06478	3.4
121.10152	2.9
123.08020	2.4
123.11684	1.5
124.02164	0.5
125.09550	0.5
128.89502	0.5
129.06667	1.6
130.04976	5.3
131.08546	5.4
133.06493	1.1
133.10115	6.8
135.08026	1.7
135.11667	2.6
137.09615	1.1
139.63928	0.5
141.04779	0.8
142.03192	6.7
143.08557	1.0
144.01118	11.7
145.06174	2.0
145.10091	4.5
147.08017	1.5
147.11673	4.0
149.09596	1.8
149.13213	1.1
151.11122	1.6
155.08505	0.8
157.10095	1.7
159.08032	0.9
159.11642	3.1
161.09587	1.5
161.13165	0.9
162.02176	44.0
163.11125	1.5
169.10120	0.7
170.02684	3.3
171.11668	1.2
173.09549	0.9
173.13242	2.3
175.11150	1.1
175.14810	0.6
177.12686	1.3
179.04823	100.0
180.05205	0.6
183.11635	1.1
187.05362	3.0
187.11082	1.3
191.14258	1.2
197.13174	0.6
199.14694	0.7
201.12624	0.9
206.00436	0.5
207.13786	3.2
215.04811	2.1
215.17842	0.6
219.13721	1.3
220.96219	0.5
229.19478	1.0
233.05858	12.2
239.17847	1.4
245.05937	5.0
247.20435	1.1
255.17479	0.5
257.18967	4.4
272.06656	0.5
273.18488	3.5
275.20026	33.3
276.20258	1.2
290.07990	0.6
291.06461	3.0
291.19513	2.7
291.40515	0.5
293.21048	23.4
294.21530	0.7
308.09048	28.1
316.06754	0.4
330.26541	0.5
333.18576	0.7
350.21274	0.7
351.19736	0.8
368.18170	0.7
368.22476	8.1
378.20706	1.0
453.24011	4.8
454.21851	0.6
471.25150	1.3
525.26306	4.1
582.28064	1.3
600.29443	6.4
601.29077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01864	1.0
55.05499	4.0
56.05020	0.9
57.11517	0.7
58.50220	0.8
58.99568	1.4
65.16971	0.7
67.05493	9.1
68.62934	0.7
69.07062	3.9
71.09354	1.1
74.00668	3.4
76.02207	2.3
76.03991	1.2
79.05486	8.6
80.05007	2.2
81.07047	25.3
83.04967	1.6
83.06074	1.9
83.08610	2.8
84.04493	5.6
86.00629	2.1
91.05478	6.1
93.07040	9.1
94.06562	1.3
95.04968	3.7
95.05489	0.9
95.08589	11.7
97.01100	1.9
97.06490	1.1
99.01398	5.1
99.02684	0.7
99.05581	0.9
100.02189	9.2
103.36269	0.8
104.51051	0.8
105.06997	7.1
106.06542	1.8
107.04949	2.1
107.06013	0.9
107.08568	6.4
109.06521	3.7
109.10133	2.5
111.02660	1.5
112.02176	9.4
113.02985	1.8
114.03738	7.6
116.01685	1.8
117.07008	1.5
119.04427	0.7
119.08576	7.1
120.08086	1.3
121.06516	1.5
121.10123	4.5
123.11687	0.9
125.04205	1.7
126.03733	3.1
129.06589	2.1
129.53362	0.8
130.04965	1.6
131.08531	4.2
133.10086	4.6
135.07977	1.5
135.11652	1.5
136.03865	0.7
137.09607	1.6
138.03693	3.2
140.05281	9.9
142.03127	0.7
145.10095	3.3
147.11693	4.0
149.09564	1.5
149.13245	1.9
151.05666	1.0
151.11136	1.1
152.05266	1.9
153.06575	1.0
154.06819	2.6
157.10120	1.2
159.11664	2.4
161.13188	1.0
162.02133	1.1
163.11180	1.9
163.14781	0.8
166.06863	1.5
167.06969	0.8
168.08405	19.2
170.02757	0.8
171.11613	0.7
173.13271	2.5
179.04860	1.5
181.06003	1.2
185.03795	2.5
187.05399	1.1
191.14247	1.3
202.04141	1.5
209.15283	2.5
216.05667	2.1
231.04242	3.8
233.05933	1.1
236.14557	1.6
237.12851	0.8
241.06468	1.4
255.07993	2.8
257.19171	0.9
264.14124	9.4
269.09494	1.7
270.10324	5.7
271.11041	1.8
275.20038	6.6
281.14404	2.6
282.15179	37.0
283.15588	0.9
292.22348	0.8
293.20825	1.6
307.17245	1.2
308.09137	1.2
323.16000	1.1
332.20398	1.1
333.18811	2.7
350.21411	10.1
351.19666	2.5
368.22513	13.6
378.20892	1.1
384.17117	15.8
385.17691	3.8
414.27527	0.8
435.23373	1.0
453.24103	100.0
454.24451	6.2
507.24890	1.0
525.26312	6.1
582.28589	1.3
600.29401	2.3
602.56152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01162	5.4
55.05507	28.5
67.05499	35.1
69.07056	59.3
71.04973	8.9
76.60874	7.5
79.05478	13.8
81.07034	41.5
83.08593	41.8
85.02901	18.9
85.06542	7.6
85.14817	6.1
91.05459	21.1
93.07034	24.3
95.04958	8.3
95.08606	48.6
97.02878	6.7
97.06535	8.6
97.10155	40.3
97.96072	9.2
105.07027	18.9
107.08578	25.5
109.10156	27.8
111.11700	18.9
119.08582	19.0
121.10112	16.6
123.11724	11.0
133.10110	20.2
133.60173	8.1
135.11679	14.9
136.07581	26.3
137.05898	7.6
137.09610	11.1
137.13242	6.4
138.96274	6.4
143.10687	7.3
147.11595	13.4
151.11191	8.0
151.14767	8.9
152.07043	8.3
153.12640	8.1
161.13261	15.3
164.07042	30.9
175.23431	6.3
177.05505	15.0
179.14355	6.3
207.62636	6.5
217.19533	40.6
235.20547	56.0
253.21603	100.0
309.91812	6.8
385.22098	38.4
392.81046	6.5
403.23166	11.1
415.01044	6.8
418.98291	6.9
600.16364	7.6
600.25861	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	32.8
58.09644	25.8
67.05500	31.7
69.07047	31.3
70.03520	42.1
70.03819	34.4
79.05464	44.0
83.04957	61.2
89.06019	100.0
91.05480	37.1
93.06998	64.8
97.06537	41.6
105.07036	57.8
107.08582	73.9
119.08563	57.1
121.10117	32.9
126.47026	28.7
129.06972	34.3
131.08521	47.2
133.08565	71.6
142.07732	43.0
143.08559	42.3
145.10063	55.6
147.08015	29.3
157.10118	55.2
159.11729	40.1
161.09543	27.8
165.09090	41.4
171.11493	32.0
197.13130	28.0
211.49788	26.0
215.74991	25.4
221.15411	61.7
237.14673	26.2
255.17302	31.5
261.16232	35.7
273.29968	30.8
279.78079	31.3
303.19510	39.8
312.53128	26.4
352.23926	41.7
383.26578	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45580	5.0
53.03938	5.7
55.05502	17.9
57.07065	13.4
59.04967	5.6
67.05492	25.3
69.03413	14.7
69.07051	18.5
70.06583	43.3
79.05487	35.6
81.07048	38.0
83.04514	4.8
83.04963	14.3
83.08608	6.9
85.06514	7.4
85.47299	4.8
86.26160	4.4
89.06031	28.2
91.05458	63.3
93.07038	71.4
95.04938	22.3
95.08593	31.7
96.82947	4.7
97.06502	15.9
105.07015	92.6
107.04929	6.4
107.08585	62.2
108.43340	4.8
109.06517	25.3
109.10130	15.8
111.08021	6.6
116.07072	50.8
116.07848	5.6
116.08233	7.5
117.06995	17.7
118.97542	5.1
119.08568	97.3
120.09369	6.1
121.06489	17.4
121.10117	51.5
123.08067	33.1
123.11639	7.2
125.09576	10.3
128.06169	13.6
129.07001	21.0
130.07784	6.0
131.08560	36.1
133.06464	15.7
133.08597	8.3
133.10112	56.6
135.08061	25.4
135.11641	9.1
135.87871	4.8
137.05983	7.7
137.09583	17.5
139.11052	4.6
141.06912	8.6
142.07779	29.8
143.08546	47.3
144.09283	12.7
145.06430	6.4
145.10104	65.8
146.10625	6.1
147.08034	35.6
147.11676	15.7
149.09581	28.8
151.07478	24.6
154.07732	6.1
155.08536	19.4
156.09294	26.1
157.10098	69.1
158.10863	13.0
159.08023	20.6
159.11685	42.1
161.09628	16.0
161.13203	4.8
163.11160	15.6
165.06963	8.6
165.09093	46.5
167.08600	11.9
167.10634	13.9
168.09335	10.2
169.10130	24.7
170.10858	12.8
171.08047	5.7
171.11659	42.2
172.12398	6.1
173.09608	16.5
173.13251	22.0
175.11107	28.7
177.11189	5.4
179.08524	13.8
180.09343	5.3
181.10091	17.4
181.12283	15.5
182.10860	9.6
183.11667	28.4
184.12283	7.6
185.09564	8.2
185.13240	18.7
186.13918	6.6
186.99574	4.9
187.11163	13.4
187.14798	9.8
189.12733	15.0
189.16341	4.7
190.13504	13.2
191.14447	10.4
193.10072	16.8
193.12169	11.7
194.10791	10.1
195.11665	25.6
197.13214	20.8
198.13966	5.0
199.11086	10.7
199.14760	11.0
201.12633	5.9
203.14322	36.0
206.10953	7.3
207.11693	16.7
207.13762	18.8
208.12537	11.0
208.14500	9.8
209.09412	5.6
209.13251	25.5
209.15105	7.8
211.11250	8.2
211.14822	19.1
213.12723	14.2
213.16409	6.5
215.14360	9.1
217.12233	5.6
219.11745	7.3
219.13791	7.6
220.12444	8.3
221.13199	16.8
221.15282	87.7
223.14864	13.3
225.12741	11.4
225.16316	6.9
227.14209	8.0
229.10248	5.3
233.13225	8.9
233.15370	24.5
234.16069	11.1
236.15514	7.5
237.12585	9.6
237.14603	32.1
237.16867	6.2
247.16902	10.7
248.13994	10.8
249.16414	8.5
253.15724	6.6
255.17494	25.6
261.16348	9.5
263.18298	6.0
269.18790	5.5
270.19736	8.4
274.19077	9.4
279.17444	7.7
285.18564	5.6
286.19177	13.6
287.20099	9.4
294.19785	8.1
297.18469	5.6
299.20041	14.7
303.19424	40.6
310.19235	5.9
312.20889	8.9
313.21411	11.3
325.21445	14.7
337.21393	10.8
352.23911	100.0
353.24277	5.4
359.23370	5.7
365.24536	18.3
377.24948	5.5
490.33792	5.0
502.34558	7.3
505.33054	7.0
507.34665	14.1
508.35437	7.7
520.35327	38.7
600.41467	28.9
601.36121	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	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	14.2
57.07068	25.7
57.46664	11.5
62.03878	12.0
67.05481	21.0
69.03417	13.5
69.07041	25.6
79.05472	24.9
81.07042	62.6
89.06036	18.5
91.05476	55.8
93.07024	59.1
95.04942	16.5
95.08588	47.4
97.06506	14.0
98.23483	33.4
105.07006	89.5
107.08569	41.6
109.06508	18.6
109.10158	23.1
117.07005	17.7
119.08553	91.6
121.06460	13.4
121.10125	46.4
123.08047	34.2
123.62729	11.9
124.58548	10.8
129.07002	22.7
131.08537	42.5
133.10114	51.2
135.08060	25.6
137.05864	15.4
137.09599	28.1
143.08530	46.7
144.09290	17.1
145.10068	71.2
147.08061	56.4
147.11682	15.4
149.09622	20.4
151.07520	18.7
155.08563	26.1
156.09270	23.2
157.10072	60.9
159.08014	11.8
159.11662	48.2
161.09604	15.6
161.13228	12.4
163.11124	40.5
165.09082	100.0
170.10966	16.3
171.11649	31.3
173.09622	27.9
173.13251	17.1
175.11154	23.3
181.10069	24.6
181.12120	16.9
183.11656	22.0
185.13306	21.3
189.12613	16.5
191.10545	15.1
193.10187	16.9
193.12155	29.1
195.11687	22.8
196.12363	19.5
197.13206	30.4
201.12645	17.8
203.14226	37.9
207.13745	21.7
209.13048	18.1
211.14857	15.0
219.13797	20.3
221.15288	72.4
223.14621	12.6
225.12668	12.9
247.17020	23.3
283.26160	13.9
299.20020	14.8
352.23654	31.7
425.27032	17.9
520.35608	17.7
600.41364	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80394	3.8
55.01858	5.2
55.05499	18.1
57.07054	16.8
57.08529	3.9
59.04994	5.6
65.03946	5.8
67.05499	24.9
69.03412	15.7
69.07050	11.9
70.06561	8.6
71.09814	4.7
72.25053	4.4
79.05477	39.2
81.03347	4.2
81.07059	37.8
83.04982	25.5
83.08609	8.8
85.06532	7.1
89.06018	25.0
91.05468	62.4
93.07030	71.6
95.04961	28.9
95.08596	30.4
97.06510	11.4
104.23501	4.1
105.04474	4.2
105.06341	6.9
105.07018	100.0
107.04978	5.3
107.08578	49.2
109.06503	17.8
109.10149	17.4
111.08058	4.7
115.05446	10.5
116.06240	4.9
116.07075	7.6
117.06979	24.5
119.08562	74.4
121.06480	15.3
121.10126	42.9
123.08063	24.1
125.05927	5.0
125.09554	6.3
128.06226	17.7
129.06998	28.6
130.07773	13.6
131.01656	4.1
131.08549	42.1
133.08586	6.5
133.10101	40.2
134.07266	4.8
135.08057	26.5
135.11678	11.2
137.09592	14.0
141.06982	17.1
142.07700	37.1
143.08540	67.5
144.09311	15.2
145.06396	5.5
145.10110	63.7
147.08034	37.8
147.11656	10.8
149.09615	23.6
151.07501	15.0
153.06950	7.7
155.08514	25.2
156.09290	23.4
157.10106	75.6
158.10870	9.3
159.08022	19.5
159.11699	31.6
161.09554	20.5
161.13264	9.0
163.11179	14.4
165.06976	5.9
165.09077	41.3
167.08531	9.5
167.10658	9.7
168.09265	7.0
169.10080	32.4
170.10855	10.5
171.08119	4.3
171.11638	32.9
172.12352	5.6
173.09615	10.2
173.13237	15.1
175.11151	31.1
175.14928	5.4
177.12776	7.0
179.08553	16.5
179.17398	4.5
181.10068	20.5
182.10870	10.9
183.07936	4.2
183.11665	31.3
184.12404	7.3
185.09700	4.6
185.13219	16.3
187.11176	10.1
189.12782	10.0
190.13551	12.2
193.10124	14.2
193.12106	6.2
194.10876	10.5
195.11623	25.9
196.12436	5.6
197.09558	6.0
197.13260	19.2
199.11131	11.1
199.14899	7.1
201.12674	11.4
203.14290	19.4
205.04971	13.1
206.10951	11.6
207.11652	19.0
207.13766	10.8
208.06561	4.4
208.12515	9.7
208.14449	6.5
209.13225	14.0
211.14783	15.1
213.12738	9.9
219.11804	6.2
220.12335	5.3
221.13397	8.1
221.15326	39.7
223.14764	10.0
225.12686	5.0
225.16322	8.1
227.14285	11.7
231.11629	5.3
232.12444	5.5
233.13231	7.4
233.15349	19.6
233.19009	4.5
234.16129	6.1
235.14775	11.4
237.12700	6.1
237.14549	20.2
246.13969	4.9
247.14604	8.0
247.16954	9.7
248.14024	7.0
251.13911	4.5
253.15759	6.0
255.17426	16.7
259.14688	6.3
261.16354	7.9
270.19843	4.9
271.16888	9.3
274.19217	9.4
279.17355	6.7
285.18332	6.1
286.19180	6.4
299.20197	8.7
303.19553	34.8
313.21381	7.3
325.21588	7.9
352.23917	57.7
365.24606	13.0
507.34775	6.4
520.35455	24.2
600.41461	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	25.7
57.07066	32.1
67.05482	26.9
69.03403	17.5
69.07077	22.3
69.75423	23.9
69.75780	43.8
79.05484	50.8
81.07040	32.9
89.06026	41.5
90.72589	16.5
91.05471	49.3
93.07026	74.7
95.04963	38.3
95.08596	31.1
97.06539	24.1
105.06997	100.0
107.08574	57.4
107.95837	14.6
109.06472	17.5
109.10162	27.3
117.07027	27.1
119.07818	14.5
119.08558	84.9
121.06506	19.3
121.10153	50.2
123.08099	44.1
128.06215	21.7
129.06976	22.2
131.08575	56.1
133.08582	33.3
133.10117	43.9
135.08092	32.8
137.09605	19.1
141.06993	22.0
142.07762	40.1
143.08534	57.3
144.09299	19.7
145.10132	66.3
147.08020	35.0
147.11658	23.0
151.07533	15.1
155.08580	30.0
156.09308	21.2
157.10123	81.6
159.08031	23.5
159.11705	29.4
161.09688	19.8
163.11241	16.5
164.75246	17.6
165.09094	38.8
169.10095	31.8
171.11679	46.7
173.13219	35.4
175.11177	27.1
181.10132	26.2
182.10645	17.6
183.11772	24.5
184.78705	16.8
185.13249	26.4
193.10123	17.8
194.10832	14.9
195.11708	34.9
197.13242	45.2
199.11147	20.7
199.14703	20.3
201.12743	19.7
203.14009	20.1
207.13655	14.3
209.13202	17.9
213.12956	17.6
221.15422	58.9
223.14786	16.5
233.15294	22.0
235.14835	18.2
249.16402	19.9
255.17493	25.2
271.16895	18.9
303.19528	17.4
352.23996	51.6
365.24704	27.3
507.34586	21.7
520.35175	19.9
595.17578	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41652	2.9
50.78398	2.7
51.02380	3.9
53.03944	3.9
55.05507	23.4
57.03449	2.7
57.07074	9.6
65.03941	6.8
67.05493	35.4
69.03416	10.6
69.07059	20.7
69.77656	10.5
71.04962	7.9
74.10471	2.9
79.05489	39.2
80.06227	3.6
81.07040	44.6
81.90655	3.2
83.04962	18.4
83.08611	11.1
85.06535	8.6
87.04453	7.0
89.06027	7.5
91.05465	71.3
93.07032	67.7
95.04961	37.2
95.08588	34.7
97.06507	17.2
98.22729	4.8
99.90885	3.1
105.04514	3.7
105.07015	100.0
107.04978	5.4
107.08582	64.8
109.06522	15.8
109.10149	28.7
111.08079	9.2
115.05453	12.7
115.81639	2.9
116.06236	5.7
117.06997	26.4
119.08560	90.3
121.06491	11.1
121.10131	56.3
123.08052	33.3
123.11707	6.0
125.09599	9.9
128.06221	19.3
129.06981	30.1
130.07764	10.8
131.08568	49.3
132.09329	6.0
133.06494	5.6
133.07674	3.3
133.08607	5.9
133.10106	46.5
134.10950	3.6
135.08063	13.7
135.11667	6.3
137.09621	8.1
139.11153	5.4
141.05943	4.0
141.06926	17.6
142.07758	38.0
143.08546	61.7
144.09288	15.9
145.06456	5.8
145.10110	66.1
146.10875	3.4
147.08018	16.3
147.11674	24.8
149.09659	16.9
151.07549	9.2
151.11298	3.9
153.06934	8.7
154.07730	7.8
155.08540	28.6
155.10654	11.9
156.09341	35.7
157.10110	80.9
158.10953	15.4
159.08031	21.3
159.11678	43.6
160.08775	9.0
161.09604	15.2
161.13260	10.5
163.11198	10.5
165.06940	16.2
165.09142	8.4
166.07727	5.9
167.08563	15.6
167.10651	12.9
168.09334	11.6
169.10112	36.1
170.10948	7.0
171.11662	49.3
172.12459	6.4
173.09648	11.0
173.13228	19.8
175.11151	20.3
175.14777	6.4
177.09206	4.3
177.12712	5.3
178.07822	4.7
179.08521	15.2
180.09296	10.8
181.10114	27.4
181.12143	5.8
182.10905	15.5
183.11690	36.4
184.12502	6.6
185.09618	7.8
185.13248	31.8
186.10468	4.0
186.13986	3.9
187.11131	8.6
187.14830	6.7
189.12660	5.3
190.13374	5.0
191.08510	4.6
191.14326	5.5
192.09367	7.9
193.10126	21.5
193.11662	2.8
194.10899	11.7
195.11641	26.8
196.12454	10.0
197.13260	27.4
199.11168	12.0
199.14798	13.9
201.12770	8.4
201.16409	6.1
203.14328	14.2
205.10062	7.7
206.10896	11.5
207.11674	23.5
207.13609	6.9
208.12457	12.7
208.14394	3.1
209.09627	4.7
209.13228	25.0
209.15224	5.8
210.13901	5.4
211.11200	6.8
211.14754	19.3
212.11906	3.6
213.12697	12.3
213.16322	5.5
215.14282	8.7
216.15057	3.7
217.10107	5.7
218.16599	4.2
219.11720	7.5
220.12440	9.5
221.13202	15.3
221.15366	16.8
222.13994	8.6
223.14819	21.3
225.12784	5.8
225.16418	8.5
227.14349	5.8
229.15694	5.4
231.11699	8.5
233.13261	6.3
233.15346	20.6
234.16055	9.8
235.14832	16.4
237.16357	14.3
239.14351	4.2
239.17892	6.8
241.15846	4.8
245.13225	8.8
247.14781	8.4
249.16335	9.8
251.14223	5.2
251.17891	5.8
253.15845	4.4
255.17369	31.1
259.14877	5.0
261.16342	12.0
263.17844	8.4
265.19476	5.9
268.18286	5.2
269.18936	6.0
270.19812	7.1
271.14636	4.4
271.17151	4.3
273.16049	4.8
273.18671	6.4
277.19467	3.6
281.19003	8.1
283.20618	3.8
287.20114	4.6
297.18512	3.5
299.20016	5.0
307.20584	5.5
329.22366	4.5
347.23727	7.7
365.24777	4.2
383.25842	6.8
600.41266	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	600.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64777	19.5
57.07056	20.8
60.58886	24.1
65.54356	21.4
66.13480	21.3
67.05496	26.3
67.53764	21.9
71.86761	19.3
81.07044	27.8
81.77531	24.3
89.05968	24.3
91.05482	52.4
93.07055	63.9
95.04981	28.5
95.08571	40.0
98.07568	20.4
105.07027	39.1
107.08617	40.3
119.08541	62.8
127.17666	24.1
131.08598	29.4
133.08583	33.0
133.10071	35.2
140.59615	22.6
143.08537	23.7
145.10149	29.0
157.10091	53.8
165.09093	52.4
171.11761	29.7
195.05060	21.1
215.14125	22.9
221.15334	100.0
247.17041	30.3
278.00104	23.0
340.23813	42.2
352.24213	27.5
440.29001	35.2
535.20050	26.8
600.41901	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99958	4.1
55.05491	14.2
57.07068	12.7
59.04980	6.2
65.03943	7.0
65.41186	4.3
67.05492	26.0
69.03415	22.3
69.07059	14.9
70.82870	8.9
71.04990	5.9
79.05487	33.6
81.07043	37.1
83.04963	20.6
83.08588	8.3
85.06548	6.2
86.08163	4.6
89.06019	10.6
91.05483	47.1
93.07039	68.8
95.04946	26.5
95.08604	41.8
97.06519	11.5
105.04562	5.0
105.07023	100.0
107.08578	60.9
109.06499	19.5
109.10144	18.5
110.48802	4.5
111.08092	6.7
117.07015	22.9
119.05004	4.1
119.08564	75.5
121.06493	17.3
121.10126	39.7
123.08065	26.5
125.09609	6.6
128.06218	11.2
129.06976	28.7
131.08537	34.5
133.06464	7.3
133.08574	13.8
133.10110	44.7
135.08031	27.3
135.11658	11.1
137.09590	18.7
141.06960	7.2
142.07797	14.4
143.08542	46.6
144.09317	14.1
145.06494	6.9
145.10101	56.2
147.08049	41.3
147.11687	18.6
149.09599	18.4
151.07541	23.0
151.11197	5.3
154.07829	6.2
155.08582	22.1
156.09322	18.4
157.10118	76.8
158.10901	14.1
159.08060	22.9
159.11678	41.1
160.08875	5.4
161.09604	15.6
161.13232	9.1
163.11157	23.4
165.06961	8.1
165.09096	46.5
167.08513	13.1
167.10660	16.5
168.09358	6.8
169.10098	32.8
170.10945	13.0
171.08180	5.5
171.11691	40.2
172.12378	6.8
173.09625	15.8
173.13205	20.6
175.11177	26.2
175.14764	6.3
177.11208	5.5
177.12651	6.5
178.09839	6.8
179.08531	5.2
180.09293	6.7
181.10117	15.3
181.12157	6.6
182.10950	7.1
183.11748	24.5
185.09590	5.6
185.13257	25.5
187.11147	9.6
189.12724	15.7
190.13457	8.6
191.10646	6.3
193.10071	13.1
193.12189	10.6
194.10931	6.0
195.11624	27.6
196.12442	8.5
197.13217	27.5
198.13908	5.7
199.11105	11.0
199.14771	11.1
201.12657	7.8
203.14316	27.2
206.11006	6.9
207.11632	18.1
207.13808	12.8
208.12495	7.6
208.14516	6.0
209.13223	23.7
209.15054	5.5
211.11041	7.4
211.14807	12.1
213.12755	11.0
215.14246	6.4
219.11717	6.9
219.13786	5.8
220.12392	8.3
221.13242	16.5
221.15300	93.0
223.14798	12.7
224.15587	5.1
225.12691	9.1
225.16321	11.3
227.14359	9.4
233.13205	7.1
233.15337	20.3
234.16002	13.3
235.14859	7.2
237.12701	10.5
237.14838	29.3
247.14708	6.2
247.16930	6.7
248.13995	10.4
249.16325	6.8
253.15816	8.8
255.17421	16.0
259.17001	4.9
261.16336	5.3
270.19974	5.1
271.17017	6.0
274.19220	16.9
275.17764	5.3
281.18814	6.3
285.18668	4.8
286.19269	15.0
287.19934	12.4
294.19931	6.0
297.18552	10.4
299.19861	13.3
303.19504	51.9
312.20825	4.9
313.21634	8.1
325.21719	10.7
333.51843	5.4
337.21518	11.6
352.23929	87.3
365.24844	22.3
377.24500	8.4
382.54083	4.5
383.25607	7.5
502.34064	14.4
503.34656	8.2
505.32632	7.0
507.34396	8.1
508.34616	6.7
510.55301	5.6
520.35504	37.4
536.27820	4.5
579.82220	5.3
600.41193	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	601.174
Annotation	Neosappanone A
Peak:m/z	Relative Intensity
51.19906	0.9
60.93061	1.0
69.03436	1.7
69.24216	1.0
70.06583	3.0
70.91601	2.1
77.64437	0.9
84.08148	1.4
85.02856	1.3
87.03858	1.0
87.04464	1.2
97.02850	1.5
115.03916	15.0
121.11016	0.9
127.03860	1.1
133.04993	1.9
147.06546	1.5
163.03970	1.0
166.37917	0.9
171.72212	1.0
185.04318	1.1
186.20210	1.2
213.12451	1.2
228.15752	1.1
229.38765	1.0
243.99590	0.9
269.21115	1.4
277.09122	1.2
317.08441	6.8
387.12967	1.4
439.12015	1.6
445.13150	2.5
461.12616	2.7
601.17322	100.0
602.18030	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	601.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24926	2.8
59.54771	2.3
81.07066	3.3
83.35546	2.8
85.50354	2.8
91.05479	7.2
95.04972	5.2
95.08539	2.5
97.02915	4.1
100.68613	2.4
103.05428	2.3
107.04970	8.4
119.04923	4.9
119.08527	3.0
121.99082	2.4
131.04990	3.2
137.05942	16.0
143.04811	2.5
147.04434	4.5
149.05977	4.0
151.03920	8.4
151.07503	3.5
163.03952	4.2
167.06995	13.6
177.05482	4.1
177.06944	4.2
179.07010	2.6
181.04976	6.4
186.03134	6.5
194.07353	5.4
201.05495	12.6
201.30057	2.3
205.06526	11.6
221.06062	3.1
222.06822	11.6
233.05978	13.3
234.06810	4.7
237.02911	2.6
237.09171	9.6
247.07599	5.0
249.05295	3.6
250.06276	15.1
251.06857	3.9
261.05405	3.8
264.07758	4.7
265.08569	28.2
267.06390	2.6
271.06015	2.9
278.05844	4.8
292.07355	15.6
293.07935	24.5
294.08957	3.1
307.09619	31.7
323.09235	3.2
325.10669	95.5
325.14542	5.3
363.08981	8.3
365.10599	6.3
439.22992	3.3
600.41125	33.4
601.27063	100.0
601.40997	21.2
602.26929	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	601.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03935	1.1
53.24438	0.7
54.01799	0.7
64.60257	0.7
65.03936	1.1
69.03442	0.8
69.18171	4.8
77.03935	2.5
81.03419	4.0
84.11952	0.7
85.02883	1.3
89.03911	3.7
91.05465	9.1
93.07050	1.3
95.04953	5.6
97.02874	2.1
99.04424	1.1
103.05446	2.1
105.03375	2.1
105.04491	1.1
107.04913	1.8
109.02870	2.5
117.03358	5.9
119.04939	9.8
121.06485	2.5
122.03631	2.7
123.04396	2.6
127.28574	0.7
130.06514	100.0
131.04877	1.0
131.06854	1.2
133.02835	58.3
134.03633	1.2
135.04384	4.2
135.08052	1.0
137.05960	11.3
140.04611	0.8
140.06947	0.8
145.02844	5.9
147.04407	7.2
149.05959	17.7
150.06761	7.2
150.70998	0.8
151.03828	0.8
155.07045	1.9
157.03946	1.8
160.05164	0.8
161.05968	2.7
162.03122	0.8
163.07469	0.8
163.51689	0.8
165.05463	7.3
167.07104	0.7
172.07564	1.8
173.06030	1.6
175.03889	23.4
176.38391	0.7
177.05466	7.1
177.06870	1.3
181.04968	0.9
183.06525	2.4
200.06940	0.9
201.05444	8.4
205.06467	4.6
219.24115	0.8
221.06035	1.6
222.06776	1.5
233.05928	7.3
237.09036	1.1
247.07690	1.1
249.05356	4.1
250.06221	2.3
261.05511	2.7
264.07776	1.0
265.08606	1.5
275.06873	0.8
277.05139	1.4
278.05847	0.9
292.07260	3.3
293.08102	4.1
297.11166	0.7
307.09503	3.6
325.10641	31.2
326.10950	1.3
363.08902	0.8
365.11066	0.9
404.13425	7.5
416.76205	0.8
469.14801	2.5
487.15671	1.6
601.28223	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	601.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
61.02920	0.4
66.00835	0.3
69.03423	2.5
70.06599	0.6
71.40804	0.3
73.02915	0.4
75.04456	0.3
77.43209	0.3
81.03440	0.7
83.01072	0.7
84.01889	0.5
84.08114	0.4
85.02902	3.5
87.04453	0.7
95.01088	1.9
96.01885	0.7
97.02908	2.0
97.22286	0.3
103.05460	7.9
103.06106	0.6
103.37766	0.3
105.07059	0.5
105.26392	0.4
109.02887	0.6
112.01344	0.8
113.02091	2.2
115.03918	1.6
126.02898	0.4
127.03937	0.9
130.04082	0.3
131.04915	23.9
145.06488	0.3
148.05154	3.5
157.04715	0.4
160.05313	0.4
161.06000	1.3
163.03888	0.6
163.07533	6.3
167.03198	0.5
173.09636	0.5
175.07591	1.3
185.04222	3.2
185.05786	4.9
186.06551	0.6
201.03650	0.7
203.05345	0.9
245.06404	0.4
259.07886	7.4
259.10400	0.5
299.67648	0.3
312.00089	0.3
364.11304	0.4
421.14325	1.5
423.16141	3.5
423.20837	0.4
601.20959	100.0
602.21210	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	601.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73890	0.1
52.81811	0.2
53.03934	0.3
54.13796	0.2
61.02903	0.2
69.03419	0.4
71.39970	0.2
71.43089	0.2
76.67815	0.2
77.03918	0.3
81.03411	1.3
85.02882	0.8
90.37663	0.2
93.82750	0.2
95.04919	0.2
97.02870	0.2
98.00567	0.1
99.04431	0.5
103.05460	0.7
105.37766	0.2
109.02878	1.6
127.03902	1.1
128.04953	0.2
130.06509	100.0
131.06856	1.6
137.05971	0.4
144.08093	0.4
145.04990	0.3
149.05940	0.4
158.05989	0.2
161.05968	0.3
163.03900	0.6
164.04263	0.3
167.07074	0.2
169.04860	0.2
172.07549	4.6
172.08966	0.3
174.88307	0.2
176.07091	0.4
185.08110	0.2
196.15094	0.2
200.07060	1.6
201.92468	0.2
229.07144	0.2
247.07933	0.9
271.05911	0.2
325.10583	0.2
362.12299	2.9
380.13605	0.2
404.13370	7.1
405.14035	0.3
422.14331	1.1
601.28711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72964	0.2
69.03427	0.5
69.30845	1.0
70.82285	0.2
81.03412	2.2
85.02890	0.5
91.05398	0.3
95.04932	0.7
96.76339	0.2
97.02895	0.4
98.23470	0.4
99.04443	0.3
103.05471	1.1
109.02868	1.7
119.04901	0.3
123.04414	0.3
127.03909	1.2
128.47746	0.2
130.06512	100.0
131.04907	0.3
131.06854	1.8
133.02855	1.4
137.05951	0.7
144.08072	0.6
145.04942	0.3
147.04364	0.3
149.05959	0.3
161.05908	0.4
163.03880	0.3
163.07538	0.4
167.07005	2.5
172.07541	2.1
175.03967	0.4
176.07085	0.5
200.07082	0.4
212.83168	0.2
247.07971	0.5
249.11182	0.4
250.11581	0.4
293.07819	0.3
325.10629	1.0
362.12170	0.9
387.17905	0.3
404.13370	10.2
405.13873	0.5
405.18927	0.5
406.64667	0.3
422.14612	0.3
485.42014	0.2
629.32446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36755	0.9
62.19888	1.0
70.62283	1.7
72.92947	0.9
85.02892	2.2
86.09686	1.2
99.61123	0.9
101.20148	1.5
126.63706	0.9
137.06012	1.6
147.11717	1.0
167.06992	1.7
201.28778	0.8
226.63214	0.9
237.02895	1.8
261.02554	1.1
271.05939	1.6
272.06284	1.1
279.03928	2.6
321.04788	1.7
325.10733	1.3
365.10385	1.1
379.06244	2.0
381.07904	1.8
481.62161	1.1
535.74939	1.1
601.26294	100.0
602.26392	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	601.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51659	2.6
55.05502	5.2
57.03421	2.4
64.43570	2.2
67.05490	6.8
69.03419	3.2
69.07060	3.9
73.92818	2.4
79.05470	5.3
81.07046	10.2
83.04960	4.5
83.08617	3.1
84.04503	2.8
85.02892	8.4
85.06535	4.2
86.09689	9.6
89.54014	2.4
93.07030	10.2
95.04936	3.6
95.08587	10.1
97.02901	2.9
97.06493	2.6
100.81773	2.6
105.07016	11.6
107.08576	11.1
109.10123	10.3
112.94116	2.2
113.96571	2.4
119.08546	14.6
121.10126	9.1
123.11729	4.1
125.09604	4.2
126.05647	2.3
133.10100	14.9
135.11656	5.7
137.09593	12.0
145.10176	3.2
147.11620	4.9
149.13319	3.7
150.11465	2.4
151.11171	6.3
157.10182	3.2
159.11687	3.5
161.09573	4.0
165.09158	4.1
175.14787	8.4
201.16322	2.7
259.07840	3.2
259.20572	10.8
259.49457	2.6
276.72583	2.4
277.21603	50.4
279.97076	2.5
314.45715	2.8
317.98975	2.4
555.23865	4.0
601.32892	100.0
602.32452	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	601.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.6
57.02347	3.7
57.03429	7.7
57.07060	8.0
59.04988	5.5
65.03927	3.4
67.05491	36.8
69.03414	3.3
69.07043	18.9
70.64667	5.8
71.04982	25.5
72.59280	2.8
73.02923	5.9
75.04451	5.0
79.05481	21.2
81.07045	46.2
83.04966	8.8
83.08606	7.2
85.02895	42.0
85.06512	4.2
91.05470	31.0
93.07026	56.1
95.04948	12.8
95.08589	100.0
97.06521	6.4
105.07011	66.1
107.08577	71.0
109.06481	8.0
109.10133	83.5
111.08091	14.4
115.05405	3.4
117.06998	9.7
119.08566	88.1
121.06433	5.6
121.10133	62.9
123.08049	12.2
123.11671	10.7
128.06166	3.1
129.05460	9.2
129.06947	7.6
131.08528	29.1
133.06506	3.3
133.10107	77.6
134.10435	4.8
135.08028	8.9
135.11682	26.4
137.09599	5.4
141.06990	5.9
142.07762	4.2
143.08539	17.1
145.10095	49.3
147.08055	18.3
147.11664	43.8
149.09601	6.0
149.13220	35.0
151.07520	10.5
151.11247	3.5
153.09097	4.0
155.08597	5.3
156.64644	3.3
157.10060	25.2
159.11664	32.1
161.09589	3.9
161.13231	42.6
163.11116	6.8
163.14774	14.9
165.09106	39.6
167.10657	7.0
169.10126	9.4
171.11636	16.2
173.09596	3.3
173.13246	28.8
175.14838	33.1
175.16289	4.7
175.78558	3.5
177.16379	20.8
181.12265	5.6
182.10875	3.6
183.11673	8.2
185.13208	9.3
187.14795	22.8
189.12711	4.0
189.16356	70.8
191.17926	18.0
193.10129	3.4
195.11650	4.8
197.13243	10.5
199.14832	9.1
201.16368	62.5
203.14278	13.6
203.17934	80.1
205.15848	5.0
207.11787	4.0
207.13753	6.1
207.17378	11.8
209.13235	5.0
211.14827	4.3
213.16307	8.9
215.17935	29.2
217.19475	5.1
219.17468	5.2
221.13264	4.5
221.15311	82.7
223.14847	4.1
225.16341	5.2
227.18095	4.7
229.19484	16.4
231.17343	4.4
233.15158	4.7
235.16855	10.8
237.16393	4.7
239.17970	4.5
241.19501	3.9
243.21060	3.7
247.16876	13.5
249.18478	6.7
261.18539	4.8
273.18607	5.6
281.22665	4.4
283.24161	11.7
286.19281	5.4
287.20029	4.3
329.24710	22.5
343.26273	11.7
391.33392	14.2
409.34610	10.2
437.34131	77.9
455.35068	11.8
491.34912	4.0
565.39380	4.8
583.40607	11.2
601.42310	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	601.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.4
55.05505	21.2
56.61124	3.0
57.07060	11.2
58.40282	2.6
60.69757	2.7
61.18790	3.2
65.03925	6.3
67.05495	36.9
69.03410	14.6
69.07064	20.3
69.76102	11.6
71.04993	6.0
71.08617	4.2
75.75350	3.1
77.03957	2.9
79.05478	33.0
80.05821	3.9
81.07049	45.4
83.04985	18.3
83.08604	17.6
85.06535	6.8
87.04457	5.7
89.06013	25.1
91.05015	1.7
91.05468	70.5
93.07033	84.4
94.07339	5.3
95.04961	34.9
95.08591	39.0
97.06531	10.2
103.05474	4.1
105.04507	5.5
105.07016	100.0
106.07291	5.3
107.08583	78.3
108.08841	2.9
109.06522	16.7
109.10136	33.7
111.08047	4.4
113.09636	7.0
115.05427	7.2
117.07014	22.2
119.05974	3.5
119.08563	84.7
120.08913	3.8
121.06487	9.1
121.10131	79.7
123.08049	18.5
123.11668	11.8
125.09605	11.4
128.06212	14.3
129.06999	20.1
130.07777	8.2
131.08563	51.3
132.08913	5.7
133.06506	3.3
133.08562	10.0
133.10115	54.4
133.11035	5.1
134.08955	3.4
134.10448	3.2
135.08041	17.4
135.11699	20.0
137.09593	11.4
139.11142	8.5
141.06917	14.0
142.07762	24.5
143.08562	42.6
144.09256	10.8
145.10120	70.8
146.10480	9.9
147.08055	14.2
147.11639	17.8
149.09592	16.8
149.13245	3.3
150.10031	3.6
151.07513	6.6
151.11194	3.5
153.06978	3.5
154.07617	4.4
155.08511	20.3
155.10681	10.0
156.09323	19.2
156.74699	3.0
157.10101	53.9
158.10645	9.5
159.08064	17.7
159.11685	36.9
160.12071	5.1
161.09598	12.5
161.13197	11.8
163.11150	10.8
165.07007	9.9
165.09099	10.3
166.07671	3.6
167.08514	9.2
167.09296	3.3
167.10664	52.9
168.09373	7.3
169.10124	29.2
170.10800	13.1
171.08049	3.4
171.11649	35.5
172.12117	9.9
173.09607	8.5
173.13222	24.5
174.13605	6.8
174.77797	3.1
175.11154	14.5
175.14769	15.6
177.11270	3.0
177.12669	3.2
179.08572	14.7
180.09172	4.8
181.10030	13.9
181.12227	4.4
182.10826	9.5
183.11647	33.3
184.12177	5.4
185.13188	21.8
186.13617	3.8
187.11177	8.6
187.14771	7.9
189.12706	7.2
191.14346	7.0
192.09157	4.2
193.10088	11.8
194.10809	11.7
195.11626	25.4
196.12329	9.6
197.09641	3.7
197.13231	24.9
198.10300	3.6
198.13731	4.7
199.11121	3.3
199.14812	12.7
201.12630	6.4
201.16420	3.5
203.14252	8.4
205.10127	4.1
205.15814	3.5
206.10878	8.1
207.11667	15.2
208.12300	9.0
209.09547	3.2
209.13257	23.3
210.13663	6.1
211.11159	3.6
211.14722	17.3
212.15102	4.3
213.12709	6.1
213.16235	6.0
215.14310	4.7
217.15836	3.3
219.11598	7.2
220.12434	6.0
221.13194	15.6
221.15344	23.1
222.13815	8.1
222.15790	3.6
223.14697	16.5
224.15419	4.5
225.12576	2.6
225.16403	9.4
227.14458	2.9
229.15834	3.9
233.13274	6.0
233.15276	25.7
234.13693	4.0
235.14688	12.2
237.16219	7.5
239.14357	5.1
239.17947	3.6
241.15733	3.4
245.13023	5.5
246.13980	3.6
247.14682	6.3
248.15364	3.5
249.16347	7.0
250.16608	4.0
255.17410	5.4
256.17786	4.8
261.16296	6.5
263.17844	7.1
265.19745	3.7
269.18912	9.3
270.19595	3.2
273.16269	4.0
273.18787	3.8
275.17819	3.4
277.19366	4.2
281.18884	4.6
283.20441	3.9
285.18634	4.4
287.19949	6.4
299.20032	4.6
310.02744	3.5
311.20126	3.1
349.25143	4.0
445.29880	3.6
583.41266	6.6
601.26385	4.5
601.41931	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	601.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.6
57.03424	2.1
57.07060	7.9
59.04988	2.3
67.05482	10.3
69.03423	7.8
69.07063	6.3
71.36766	2.5
72.24174	1.8
77.16444	1.7
79.05475	11.6
81.07047	17.3
83.04960	3.8
83.08582	2.6
85.06512	3.6
91.05461	19.1
93.07024	30.0
95.04950	6.5
95.08595	19.2
97.06523	4.3
105.04444	2.4
105.07007	30.7
107.08584	19.0
109.06489	10.8
109.10145	7.5
110.06775	2.2
115.05436	3.2
117.07005	8.5
119.08554	42.2
119.28707	1.7
121.06515	3.6
121.10126	21.6
123.08049	17.4
125.05959	2.4
128.06213	4.7
129.06996	7.4
130.07768	2.3
131.08556	15.3
133.06508	3.3
133.10094	22.1
134.10452	2.1
135.08037	9.2
135.11646	6.1
137.09618	10.3
141.06934	3.4
142.07733	6.0
143.08504	14.9
144.09285	3.4
145.10112	29.1
147.08006	21.8
147.11685	7.5
149.09595	5.6
151.07518	12.9
153.07042	1.8
153.09171	1.9
155.08554	4.1
156.09314	5.4
157.10091	17.0
158.10635	1.9
159.07993	3.0
159.11673	13.2
161.09598	5.3
161.13271	4.3
163.11147	6.9
165.09090	42.8
166.07823	1.9
166.09421	2.8
167.08554	2.7
168.09317	3.0
169.10110	10.9
170.10851	4.0
171.11650	12.0
173.09656	3.4
173.13217	8.0
175.11150	2.9
175.14746	4.0
179.08556	2.7
179.10555	1.7
179.14160	1.7
181.10063	6.2
181.12170	9.4
182.10976	2.7
183.11659	10.1
185.13249	5.9
186.13486	1.8
187.11049	1.7
187.14783	5.9
189.12727	3.9
191.14247	4.8
193.10071	3.3
193.12193	2.4
194.10793	3.7
195.11688	5.8
196.12321	2.3
197.13217	7.7
199.11198	2.0
199.14851	3.3
201.12703	3.3
201.16608	2.1
203.14259	17.9
207.11826	3.2
207.13779	7.5
208.12381	1.7
209.13188	5.3
209.15231	2.6
211.14793	3.5
213.16325	2.1
221.13399	3.4
221.15315	100.0
222.03897	1.9
222.15694	6.4
223.14738	4.2
227.14207	2.2
229.12276	2.0
235.14772	2.8
239.17650	2.1
247.16954	4.9
248.17418	2.4
265.19653	2.9
283.20441	3.1
286.19351	3.9
287.19998	6.6
299.20215	3.8
300.20779	4.3
301.21634	4.1
304.83478	1.7
313.21454	3.2
326.22119	2.3
353.24280	3.0
367.26068	7.6
393.27795	2.2
440.29987	2.3
441.29459	5.9
456.59039	2.1
491.34995	7.8
507.14865	1.9
509.35547	2.8
515.27319	2.0
521.35913	8.1
583.41284	9.7
601.42145	31.9
602.42487	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71831	6.4
52.88410	5.7
55.05499	26.9
56.92945	7.0
57.07064	12.3
60.18948	6.1
67.05494	32.8
69.03413	17.9
69.07061	19.2
79.05483	37.9
81.07043	52.4
83.04961	21.0
83.08617	12.2
89.06006	16.1
91.05464	48.2
93.07023	61.4
95.04955	19.7
95.08591	46.6
97.06513	17.0
105.07020	93.4
106.07340	6.6
107.08573	68.0
108.08913	7.5
109.06494	19.4
109.10140	31.1
116.73392	7.2
117.07015	17.9
119.08568	75.8
121.06425	15.5
121.10141	69.7
123.08057	23.8
123.11660	10.1
125.09618	8.2
128.06233	13.8
129.07033	16.3
130.07758	8.1
131.08549	51.0
133.08607	8.0
133.10094	53.2
135.08025	23.7
135.11661	26.1
137.09601	11.8
142.07755	22.8
143.08540	45.8
145.10086	73.5
147.08032	29.0
147.11685	28.9
149.09578	18.1
151.07480	14.5
151.42120	6.0
155.08553	17.2
156.09378	10.3
157.10078	46.0
158.10750	7.2
159.08055	11.5
159.11676	38.6
161.09627	9.9
161.13222	13.0
163.11165	17.7
165.09096	40.7
167.10646	40.2
168.09390	7.4
169.10091	26.0
170.10661	9.0
171.11630	26.1
172.12004	8.2
173.13269	22.2
175.11264	10.9
175.14799	14.3
179.08594	11.5
181.10034	10.5
181.12244	11.5
182.10844	6.3
183.11720	30.7
185.13225	17.8
187.14771	9.1
189.12675	9.0
193.10100	10.8
195.11606	20.3
196.12323	10.6
197.13258	27.3
198.13692	9.4
199.14822	8.5
203.14325	17.1
204.14685	6.5
207.11642	18.0
208.12309	10.1
209.13249	25.3
210.13821	7.9
211.14771	22.0
221.13329	8.0
221.15343	100.0
223.14722	20.9
224.15114	7.1
227.14372	7.3
233.13199	8.9
233.15408	16.3
235.14798	10.8
237.16406	8.8
243.11430	7.4
256.17679	9.5
269.18991	9.2
287.20282	7.3
491.34357	13.2
583.41205	19.8
601.42798	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98536	1.1
51.02376	1.1
53.03947	1.3
53.16670	1.0
55.05498	6.1
57.07064	5.9
58.48799	1.2
59.04993	2.7
65.03918	1.0
66.28172	1.2
67.05495	12.0
69.03422	7.0
69.07060	6.4
69.98046	1.0
73.29060	1.1
77.02672	1.3
77.03900	1.5
79.05479	13.9
81.07040	18.1
83.04981	2.0
83.08613	4.3
83.35617	1.1
85.06547	2.9
87.04475	1.4
87.58394	1.3
91.05464	20.6
93.07028	30.2
95.04956	9.2
95.08595	18.4
97.06513	4.5
103.05468	2.3
103.91602	1.0
105.04501	2.2
105.07007	30.9
107.08570	19.0
108.50857	1.2
109.06516	6.4
109.10142	11.3
111.08092	1.3
115.05429	1.7
117.07011	8.4
119.08562	37.8
119.09413	2.1
121.06477	4.5
121.10107	19.3
121.10945	1.1
123.08058	15.3
123.11710	2.6
125.05992	2.3
125.09578	1.2
128.06201	3.2
129.07010	7.4
130.07791	1.6
131.08539	14.9
133.06454	1.7
133.10104	23.6
135.08015	9.0
135.11659	7.1
137.09583	11.3
141.06960	2.9
142.07739	5.5
143.08543	15.1
144.09323	3.1
145.10094	25.7
147.08028	19.0
147.11668	6.1
149.09624	3.7
151.07529	12.5
155.08563	5.9
155.10693	1.3
156.09290	4.2
157.10098	17.8
158.10919	2.3
159.08054	2.8
159.11667	16.0
161.09607	6.6
161.13220	5.3
163.11183	6.9
165.09081	48.8
167.08615	2.0
167.10664	6.2
169.10106	8.1
170.10884	4.0
171.11662	13.3
173.09624	1.9
173.13219	6.9
175.11172	2.0
175.14822	4.5
179.08592	3.3
179.10629	2.3
181.10115	4.8
181.12250	5.7
182.10901	2.8
183.11667	8.2
185.13214	8.4
187.11203	2.0
187.14804	2.9
189.12701	3.7
189.16446	1.7
191.14307	2.5
193.10109	3.6
194.10919	2.0
195.11598	5.0
196.12463	1.3
197.13216	5.7
199.11185	1.5
199.14816	3.9
201.12657	2.0
201.16345	2.8
203.14290	17.0
206.10719	1.5
207.11749	3.1
207.13773	5.6
209.13269	5.6
209.15094	1.4
210.13795	1.3
211.14809	3.5
213.12688	2.1
213.16327	2.1
219.11729	1.5
219.13841	1.3
221.13397	3.7
221.15326	100.0
222.15747	1.9
223.14864	4.2
225.12270	1.0
225.16518	1.4
227.14171	1.4
233.13181	1.5
235.14719	3.2
237.16356	1.7
239.17935	2.3
247.14720	2.6
249.16542	1.4
253.15863	1.3
253.92059	1.1
263.18289	1.4
265.19388	1.8
273.18616	1.7
277.19537	1.7
283.20572	1.2
286.19266	3.8
287.20160	2.8
299.20093	2.3
300.20798	4.0
301.21533	1.3
352.23965	1.4
365.25089	1.4
367.26126	1.5
375.26633	2.5
393.27734	1.4
416.00043	1.3
431.18692	7.8
491.35013	7.7
509.36377	1.5
521.36060	4.3
565.39618	1.7
583.41132	8.6
601.42377	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01863	4.7
57.03416	0.9
59.04994	1.3
61.02931	0.3
69.03420	9.5
69.59692	0.6
69.60068	0.5
71.04963	0.4
73.02895	0.7
81.03405	3.7
83.04984	0.4
84.54910	0.3
85.02396	0.5
85.02888	7.1
87.04458	4.9
91.03918	0.3
97.02879	12.7
99.04417	1.3
109.02857	3.4
111.04421	0.3
115.03912	100.0
116.04255	1.1
118.32198	0.3
123.04460	0.3
127.03894	6.0
129.05426	1.5
129.10117	0.3
133.03938	0.6
133.04945	11.7
144.18343	0.3
145.04941	3.6
147.06502	5.4
163.06062	0.3
169.05002	0.3
171.06508	0.8
175.06018	0.3
177.05429	0.2
187.05991	0.9
217.07030	0.4
223.05945	0.4
241.07051	1.8
255.08620	0.4
259.08093	10.7
273.09741	0.6
277.09122	9.9
291.10760	0.5
355.10031	0.3
373.11285	0.2
387.12759	7.9
388.13181	0.3
405.13797	2.1
421.13538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26854	23.5
63.84233	26.7
65.03912	36.9
69.85603	52.2
77.66647	29.5
91.05488	25.6
97.02853	27.7
98.06361	27.0
105.28429	30.6
125.05941	39.1
137.05980	31.1
153.05463	97.1
159.90134	27.6
176.84966	29.9
253.08493	37.7
310.80618	27.8
325.10886	47.1
339.12421	42.7
357.13272	60.6
379.40436	28.9
602.27283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36919	0.5
55.01859	0.6
59.84340	0.4
61.24607	0.4
69.03419	0.7
69.77112	1.4
78.04713	2.3
79.05489	3.2
81.07053	0.5
85.02907	2.2
86.09699	0.9
91.05470	1.3
95.04950	1.7
96.05732	0.5
103.05453	4.0
105.04488	0.6
105.07019	5.1
106.04164	1.3
106.71496	0.4
107.04945	6.5
109.06539	0.7
110.25159	0.4
115.03920	1.3
115.05423	1.7
117.07013	1.1
119.04982	0.7
121.06502	2.2
122.03655	1.0
123.04411	5.7
123.07997	0.6
124.05202	3.3
125.06042	0.5
127.03889	0.6
129.06960	0.9
131.04915	6.9
131.08585	0.8
133.06470	5.7
134.03564	0.6
135.08044	1.7
137.05951	3.8
141.06998	0.8
143.08510	0.5
145.06483	2.7
147.04388	2.7
147.07938	0.5
149.05995	0.5
151.03911	1.0
151.06351	0.8
151.07529	3.1
152.04686	2.0
153.05412	0.5
156.05721	0.5
157.06427	0.5
158.07196	1.0
158.56201	0.4
159.08008	1.3
161.05951	6.3
163.07512	13.0
165.09134	0.6
167.07019	100.0
168.07381	1.5
172.05092	0.5
173.05971	1.3
173.09567	1.2
175.07526	2.5
177.09135	2.7
179.07005	3.9
181.08575	4.8
187.07494	2.7
189.09076	0.6
191.07005	0.4
192.07823	0.7
193.08582	16.2
195.10170	0.8
201.09105	1.4
203.08571	0.7
205.08519	0.9
207.10114	0.8
211.09673	1.4
217.08606	1.3
219.10141	2.6
221.11842	0.5
225.07550	1.6
231.08110	0.8
233.11668	2.4
235.10986	0.4
237.11192	2.1
251.12723	1.7
263.10577	1.0
291.10004	1.0
295.13205	0.8
301.73926	0.4
323.12741	2.5
355.15350	13.6
356.15738	0.5
387.17975	12.0
388.18536	0.7
405.19028	19.5
406.19434	0.9
471.09006	0.8
602.17078	0.7
603.13434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46302	0.3
53.66430	0.3
67.78097	0.4
69.11622	1.3
69.12025	1.0
111.72762	0.3
141.25868	0.3
159.24625	0.3
185.04129	2.3
253.97099	0.4
309.09692	0.5
363.08890	2.5
365.10599	1.1
425.12152	0.8
440.14453	1.3
441.15134	3.6
543.21161	0.7
603.20459	100.0
603.29156	5.5
604.20728	7.2
604.29736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2255
Annotation	Genkwadaphnin
Peak:m/z	Relative Intensity
71.06111	0.6
84.01864	0.6
85.02911	0.4
95.01069	1.1
96.01855	0.7
97.02879	0.7
99.09116	0.3
102.03911	0.3
112.01335	0.5
113.02103	1.6
115.03925	1.8
137.05945	0.4
146.26637	0.3
159.04181	1.3
163.03886	0.5
167.03123	0.5
185.04210	2.5
201.03772	1.0
203.05333	0.5
260.84265	0.3
337.12708	0.8
351.10574	1.3
365.12173	0.7
366.12723	1.6
367.13751	0.4
441.17450	2.6
458.15909	0.4
550.32892	0.4
603.22498	100.0
604.22748	4.5
612.68793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2982
Annotation	His Gln Tyr Arg
Peak:m/z	Relative Intensity
65.03915	0.3
68.96516	0.4
77.63160	0.3
81.03378	0.3
81.07076	0.3
91.05484	0.8
95.04970	1.1
103.05476	0.5
107.04984	0.5
119.04957	0.7
121.06489	0.8
123.04416	0.5
127.24773	0.3
131.04846	0.4
135.08023	0.4
137.05991	1.2
142.49626	0.3
149.05966	0.8
151.03923	1.4
151.07582	0.4
153.05484	1.0
161.05968	0.9
163.07518	0.5
167.07014	0.6
177.05539	0.5
181.04948	1.1
191.07095	0.4
207.06636	0.5
207.10136	0.4
209.08113	1.2
214.65419	0.3
259.06165	0.3
271.06137	0.3
305.08234	0.7
347.09402	0.4
357.13260	0.8
359.14807	1.8
365.10437	3.3
441.24670	2.3
489.57056	0.3
603.29767	100.0
604.30029	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	603.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70322	0.2
54.96384	0.2
63.92476	0.2
68.52207	0.2
70.47187	0.5
104.41999	0.3
137.05939	0.7
203.05322	0.7
204.56178	0.3
229.21509	0.2
245.06296	0.5
275.07404	0.6
305.08331	3.3
347.09470	0.5
365.10513	32.8
366.10980	0.7
370.76465	0.3
441.24707	1.0
494.12823	0.3
603.29791	100.0
604.30267	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	603.2986
Annotation	His Gln Tyr Arg
Peak:m/z	Relative Intensity
51.90063	0.4
56.69384	0.3
69.13853	2.3
70.06593	0.9
71.19086	0.4
80.58390	0.4
85.88098	0.4
88.09529	0.4
93.21182	0.4
99.81813	0.4
113.04121	0.4
125.66189	0.4
136.07587	0.9
152.07024	0.4
163.35817	0.4
164.07045	0.9
167.07080	1.9
168.07353	1.1
185.04247	0.4
201.03729	1.4
203.05209	9.9
221.25494	0.4
288.19830	0.5
320.86359	0.4
365.10403	0.6
416.49310	0.5
423.23474	12.0
424.23840	0.7
425.25031	21.7
426.25479	1.0
441.15125	0.6
441.24500	1.0
543.21313	0.7
603.20148	13.5
603.29626	100.0
604.21002	0.6
604.29987	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	604.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67932	0.6
59.97611	0.5
60.66447	0.5
61.02913	1.0
63.07419	0.5
69.03419	28.0
70.06544	0.6
70.99580	0.7
73.02895	2.1
81.03418	1.5
85.01118	7.9
85.02894	12.2
86.99030	0.7
89.00609	3.6
97.02881	100.0
98.03207	0.8
99.04445	0.7
101.00575	3.4
103.02238	0.5
105.00108	0.8
109.02876	1.1
112.99815	1.2
113.00583	18.6
113.02328	0.9
115.03923	9.6
116.21454	0.7
125.66673	0.6
127.03905	1.7
131.01610	56.2
132.01976	0.8
145.04910	1.1
147.01120	0.6
149.02682	2.8
163.03951	0.7
167.01625	0.6
222.96638	0.5
226.40553	0.5
245.04810	3.4
252.36266	0.5
263.05817	43.4
264.06146	0.9
281.06866	9.8
378.98126	0.7
482.96600	0.5
588.67896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
53.08711	0.2
55.01838	0.3
55.05499	1.3
57.03432	2.4
57.07072	2.1
59.04979	0.6
59.74529	0.2
61.02906	0.3
67.05495	0.3
69.03417	1.8
69.07062	0.9
69.18420	1.6
70.04067	100.0
70.68433	0.2
71.01345	0.5
71.03786	0.4
71.04396	0.5
71.04982	15.1
72.25643	0.3
73.02895	0.5
75.04478	0.7
79.05481	0.4
81.03403	0.6
81.07046	0.6
83.04968	3.8
83.08611	0.4
84.27721	0.2
85.02892	19.9
85.47016	0.2
87.04472	0.4
93.07040	0.3
95.08611	0.4
95.58129	0.2
97.02876	1.5
97.06548	0.4
99.04442	1.0
99.08076	8.0
102.10539	0.2
106.50713	0.2
107.08594	0.5
109.02859	2.0
111.04435	2.3
114.68802	0.3
117.09115	1.9
119.08620	0.3
121.10180	0.3
123.04449	0.8
123.26308	0.3
127.03896	3.7
129.05469	6.1
131.04906	0.2
137.09610	0.4
145.04971	0.9
147.06519	1.8
147.11641	0.3
157.04866	0.3
157.10095	0.2
159.10143	0.4
165.09082	0.3
183.10152	1.6
195.10159	2.4
216.09778	5.8
225.11180	2.2
227.08286	3.7
227.12778	2.4
243.12303	1.9
261.10886	0.4
261.13248	1.9
278.23724	0.2
296.11530	0.4
354.85300	0.3
450.21014	0.3
458.16736	2.9
495.81836	0.3
604.22437	0.4
631.72638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69676	1.8
55.01857	3.2
55.05495	7.9
56.05019	3.6
57.03434	5.8
57.07055	2.8
59.04989	2.5
59.77765	1.8
67.05487	10.5
69.03419	21.7
69.07059	9.7
69.57813	1.9
69.87289	4.5
70.06590	2.3
71.04983	4.6
74.06071	7.1
75.38829	1.9
79.05488	14.2
80.09756	1.8
81.07043	32.1
83.04955	2.6
83.08626	4.1
84.04485	3.5
85.02886	21.5
85.06518	6.9
87.04476	10.0
91.05477	6.9
93.07030	23.1
95.04951	7.8
95.08593	32.5
97.02890	11.7
97.06517	72.7
97.10168	4.9
98.23443	4.1
99.04452	3.3
99.08071	3.9
102.05540	6.6
105.06991	14.6
107.08578	29.8
109.02850	2.4
109.06505	11.3
109.10138	17.8
111.08083	4.9
113.09638	5.6
115.03928	13.7
119.08561	18.9
120.06571	25.5
121.06508	6.9
121.10117	24.1
123.08054	5.7
123.11730	9.6
125.05986	2.9
125.09666	3.7
131.08583	8.3
133.04964	9.6
133.10120	12.3
135.08022	10.0
135.11662	9.7
137.09564	13.3
137.13199	2.6
139.11150	3.6
143.08565	4.5
145.10115	7.9
147.08017	2.8
147.11674	11.5
149.09622	7.5
149.13214	5.5
149.24017	2.1
157.10094	11.1
159.11652	13.2
161.09602	4.1
161.13268	4.9
163.11174	5.7
165.09137	2.7
167.10677	3.0
171.11642	5.3
173.13258	5.7
175.14809	8.8
177.12814	2.0
180.93781	2.2
185.13252	2.8
187.14789	3.8
189.12834	2.8
189.16379	2.6
195.13730	3.2
197.13303	2.8
199.14822	12.6
207.81128	2.1
213.16403	3.0
215.17896	4.3
217.15889	6.2
230.84856	2.4
233.19003	3.1
235.16888	8.0
239.17853	4.0
245.19247	2.1
257.18982	15.2
263.20050	8.6
275.20038	50.4
293.21045	100.0
294.21317	4.6
305.24503	3.1
311.04630	2.6
424.30365	6.0
604.28394	9.8
604.38306	5.0
605.25610	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	604.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
54.47375	1.9
55.01873	4.2
55.05504	13.1
56.05035	14.0
57.03434	5.0
57.07066	4.2
67.05492	27.6
69.03414	12.9
69.07061	23.9
71.04974	4.5
71.37606	2.4
73.02905	1.7
74.06073	31.0
74.06470	3.4
79.05483	14.5
81.07047	75.1
83.04976	2.3
83.08613	8.9
85.02894	13.7
85.06538	5.8
87.04462	5.0
91.05474	11.5
93.07037	25.5
95.04984	10.0
95.08599	61.0
97.02874	6.2
97.06525	37.4
97.10137	8.9
99.08087	3.9
102.05521	18.4
103.69475	2.0
105.07014	20.0
107.08582	40.5
107.09252	3.3
109.06516	8.8
109.10145	45.0
111.04445	5.3
111.08080	4.9
111.11728	4.4
113.09619	3.3
115.03893	4.0
119.08554	19.1
120.06564	100.0
121.06502	6.9
121.10141	33.8
123.08088	3.8
123.11701	23.2
125.05994	5.1
125.09592	3.3
127.07522	1.8
127.11136	1.9
131.08562	5.9
133.04941	3.6
133.10118	12.9
135.08070	7.2
135.11697	19.8
137.09610	8.3
137.13257	7.5
139.11142	2.1
143.08606	2.2
145.10123	7.7
147.11661	11.1
149.09619	6.0
149.13214	15.5
153.09053	2.0
157.10139	5.6
159.11653	9.1
161.09610	5.0
161.13280	6.4
163.11188	5.4
163.14792	10.4
165.09102	2.5
173.13266	6.0
175.11230	2.6
175.14842	6.8
177.12866	3.1
177.16373	6.5
181.12140	1.9
183.11768	2.3
187.14752	2.5
189.16272	3.5
195.13860	2.3
199.14845	6.1
203.17928	3.5
205.19467	3.0
207.09947	2.1
213.16295	3.0
215.17862	2.5
217.15865	5.1
233.18883	2.5
235.16908	5.0
257.18884	9.1
259.24179	4.7
263.20157	3.0
275.20047	21.2
277.25290	7.6
287.23706	7.2
293.21063	39.8
305.24887	10.3
424.30560	22.2
442.31451	6.8
604.28925	7.5
605.25177	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	605.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90719	0.9
71.41805	1.2
117.54014	1.0
119.08575	1.2
148.09171	1.0
175.03674	1.8
189.11728	1.2
393.09348	6.5
408.11740	32.0
408.17224	1.6
409.12445	1.4
489.46216	1.0
519.67682	1.1
557.18140	1.2
575.18683	1.8
605.19702	100.0
606.20013	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	605.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21526	1.5
69.12780	7.4
93.68184	1.2
99.97450	1.4
100.11238	2.4
143.58295	1.3
172.19531	1.3
205.04834	1.4
276.37836	1.6
393.09100	7.4
398.95593	1.7
408.11752	32.4
409.12180	2.9
494.66998	1.3
557.18042	2.0
605.19824	100.0
606.20203	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	605.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00489	0.3
57.40305	0.4
57.97626	0.4
69.54380	0.8
69.54757	1.2
81.48066	0.4
164.92563	0.4
287.05365	0.5
323.16455	0.4
363.08780	0.4
366.50385	0.4
375.08405	0.5
378.10626	1.0
390.11075	0.7
393.09616	1.9
408.11731	5.8
409.12762	1.1
557.17853	0.7
573.17377	0.4
575.19006	1.1
584.67517	0.4
605.19836	100.0
606.20215	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	605.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29187	0.6
67.05495	0.7
69.41927	0.7
69.46204	1.3
69.46583	1.7
84.66674	0.6
97.18567	0.6
98.22620	0.7
119.88580	0.6
135.50633	0.7
137.17094	0.6
147.56657	0.6
151.07484	0.7
165.09143	1.5
189.05225	4.3
205.04874	0.7
271.06003	1.8
343.84494	0.7
393.09512	2.9
408.11658	6.0
410.13345	3.1
470.88077	0.7
545.17230	1.5
605.19824	100.0
606.20203	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	605.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01862	4.4
57.03421	1.0
59.04979	1.5
61.02906	1.0
67.16905	0.3
69.03059	0.6
69.03419	9.4
70.06560	0.4
70.23534	0.3
71.04974	0.7
73.02899	0.9
81.03419	3.6
82.33641	0.3
85.02892	8.9
86.09694	1.0
87.04447	5.1
87.22837	0.3
91.03931	0.6
95.04951	0.4
97.02879	14.0
98.04285	0.3
99.04435	1.5
103.03902	0.4
109.02872	2.9
115.03912	100.0
116.04224	0.4
122.06017	1.6
123.04417	1.4
124.03996	0.4
127.03900	4.2
133.04939	13.1
145.04953	3.2
150.05479	8.8
151.03848	0.3
159.67110	0.3
163.03914	0.5
175.06125	0.6
187.06041	1.7
192.06511	5.6
192.44785	0.3
217.07074	0.9
234.07626	0.7
241.07094	1.2
258.07620	0.5
259.08081	10.7
277.09109	5.3
345.19998	0.4
408.12839	0.8
426.13855	12.0
427.14218	0.4
458.36288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74593	0.6
55.60818	0.6
59.21532	0.6
60.57841	0.5
61.65693	0.6
70.67388	1.0
71.94498	0.6
72.43882	0.6
76.10719	0.6
79.01587	0.7
83.01109	0.7
84.53307	0.6
95.01086	0.8
99.22975	0.6
112.47961	0.7
121.02603	1.0
133.74773	0.6
138.02832	1.2
141.05219	1.5
169.04709	0.9
204.07643	0.8
225.07362	2.4
251.05606	1.2
263.12631	1.5
273.07928	1.2
281.09933	1.8
291.08810	1.0
301.25940	0.8
335.48868	0.6
351.13937	3.4
358.66849	0.6
365.15613	6.1
367.13531	0.8
373.16336	0.8
379.17065	1.5
380.17877	0.8
389.15601	1.8
391.17719	4.3
407.16730	1.4
409.18753	2.1
423.16690	0.8
513.08380	0.7
605.25488	100.0
605.32886	6.1
606.25909	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	605.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
67.05486	1.2
68.73351	0.4
69.07072	3.4
69.61942	0.7
69.62331	0.8
71.04974	0.5
75.62782	0.4
79.05464	0.5
81.07053	1.5
83.01334	1.0
83.04980	2.9
91.05472	1.3
92.48884	0.4
93.07021	2.3
94.48856	0.4
95.08602	2.1
103.05428	0.8
105.07012	1.0
107.08582	1.7
109.06509	0.5
109.10164	3.6
110.76028	0.4
112.30415	0.4
119.04960	0.4
121.06490	4.1
121.10156	1.4
123.11706	1.2
130.91965	0.4
131.04927	2.4
133.02878	2.6
134.03645	0.8
135.11665	3.0
144.70073	0.4
147.04440	0.9
148.62885	0.5
149.06001	2.1
149.13304	0.8
153.12732	1.2
159.04419	1.3
161.06003	0.6
162.03105	6.7
165.05457	0.8
167.46111	0.4
175.03925	0.4
177.05473	2.4
177.16333	1.0
178.02612	0.9
189.05534	1.3
190.02602	16.0
191.03340	1.7
191.06998	2.6
193.04965	11.0
194.05453	0.4
199.03937	0.6
205.04956	100.0
206.03577	0.5
206.05264	2.5
207.06541	5.0
217.04984	0.7
219.06485	6.8
221.04456	0.5
231.06348	0.8
233.08153	2.2
245.08069	0.9
246.07697	0.4
247.09538	2.2
259.09631	1.9
261.11197	3.2
271.09586	1.7
273.11160	2.4
275.12744	6.4
285.11209	0.7
287.12735	1.3
297.11362	0.4
299.12881	0.9
313.14285	0.6
315.15927	0.5
325.14438	0.9
327.12073	0.5
327.15878	7.3
327.37494	0.4
331.19116	1.0
339.15897	1.8
343.15195	0.4
343.18921	0.7
345.16974	20.6
353.17438	0.4
357.16306	0.6
395.22241	3.2
413.23251	1.9
520.24274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19556	1.1
76.69562	0.9
78.34246	1.0
87.04449	1.3
95.08718	0.9
108.48787	0.9
109.10233	1.1
131.28883	1.1
135.65309	1.0
174.98419	0.9
177.12740	2.3
178.13033	1.2
196.90971	1.0
249.24019	1.0
399.16275	3.1
400.17117	2.0
401.17609	1.7
404.20950	1.7
413.17645	5.3
414.18347	5.5
415.19119	5.0
416.19879	1.0
427.19342	3.6
428.20212	5.3
429.20828	17.6
430.21561	3.5
442.21432	3.0
443.22479	9.7
444.23349	6.1
455.18509	1.9
457.23914	4.7
458.24857	12.1
459.21463	6.1
460.22818	1.5
470.20776	2.6
471.21664	3.1
472.22641	7.1
473.23505	3.6
476.22614	1.2
485.23349	16.1
486.24670	6.3
499.21375	1.7
500.21851	1.5
503.23953	1.1
513.22650	3.8
517.25897	9.0
545.25409	100.0
546.25903	7.5
573.24896	17.1
577.99017	1.2
605.27515	51.3
606.27692	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	605.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01827	0.4
70.94963	0.4
79.76419	0.4
85.55637	0.4
87.04382	0.8
119.48093	0.3
121.06383	0.7
159.11786	0.4
163.07460	0.5
177.12604	1.3
178.12999	0.5
180.20288	0.4
263.16101	0.4
372.14609	0.4
374.16321	0.7
385.14728	1.0
386.15463	0.8
388.17899	0.7
389.18375	0.7
398.16000	0.6
399.15933	2.8
400.16708	2.1
401.17648	1.7
402.19089	1.1
403.19882	1.0
404.21127	1.1
412.17523	1.4
413.17654	5.2
414.18451	6.4
415.19257	5.6
416.20096	1.5
426.19153	0.5
427.19342	4.2
428.20053	5.8
429.20776	19.1
430.21494	3.5
431.22659	0.6
440.16055	0.5
441.16248	0.8
441.21573	0.8
442.21954	2.9
443.22488	11.2
444.23236	8.5
445.19003	0.5
445.24307	0.9
455.18570	1.4
456.19122	2.3
457.24844	6.1
458.24768	11.5
459.21448	6.8
460.22589	1.0
470.21054	2.6
471.22342	3.5
472.22559	8.7
473.23618	3.6
476.22000	1.3
483.18118	0.7
484.19000	0.7
485.23456	16.8
486.24680	5.5
487.21408	1.5
488.22006	1.3
498.20795	0.7
499.21500	1.2
500.21982	2.1
502.23410	1.1
503.24500	1.9
513.22906	3.2
514.23267	2.1
517.25983	9.5
527.24689	0.6
529.25903	0.8
530.23175	0.6
545.25409	100.0
546.25812	5.8
558.21747	0.4
573.24860	17.4
574.25153	1.1
605.27502	49.5
606.27808	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79032	0.6
87.45361	0.5
177.12669	1.7
387.15994	0.7
388.17770	0.9
389.18625	1.1
389.44391	0.6
399.15820	2.4
400.16891	2.2
401.17386	2.0
402.19339	1.0
403.19379	0.7
404.21201	0.7
413.17596	4.3
414.18286	5.4
415.19308	5.1
416.20081	0.7
417.20898	0.7
427.19394	3.0
428.15860	0.5
428.19998	5.3
429.20718	15.6
430.21735	3.1
441.21194	1.1
442.21509	2.0
443.16858	0.8
443.22330	11.3
444.23218	7.4
455.18854	1.3
456.19321	1.8
457.24701	6.0
458.24777	12.7
459.21362	7.1
460.22379	1.1
470.20987	2.5
471.21625	2.2
472.16507	0.6
472.22659	8.0
473.23642	3.8
473.28918	0.7
476.21838	1.5
484.18900	0.7
485.23492	16.2
486.24823	4.5
488.21750	1.0
499.21536	1.2
500.22159	2.0
503.24512	1.4
513.22961	4.1
514.23291	1.8
517.25873	8.9
518.26099	0.8
529.26007	0.9
530.23370	0.9
545.25415	100.0
546.25671	6.8
573.24890	17.2
574.25116	1.9
605.27527	54.8
606.27649	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	606.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59620	0.2
65.03938	0.6
67.05493	0.2
69.03412	0.5
69.58201	0.1
71.14332	0.1
81.03394	0.3
82.65371	0.2
85.02901	0.9
90.34477	0.1
95.04964	0.3
97.02876	100.0
98.03204	1.2
109.02877	0.3
111.04421	0.2
115.05470	0.2
118.06498	0.3
121.02847	15.0
121.03877	0.7
127.03896	0.3
128.04935	0.4
130.06509	0.6
132.04442	0.5
132.08060	0.3
133.02829	0.6
144.19963	0.1
145.05153	0.2
146.05978	25.5
147.06325	0.5
151.03882	2.1
156.03329	0.2
159.06783	0.2
160.07535	0.7
170.06018	0.8
174.05481	7.6
184.07552	0.6
188.07033	12.0
189.07361	0.2
192.06514	21.4
193.06856	0.6
196.07500	0.5
199.03745	0.2
204.06461	0.2
212.07068	1.5
216.06500	1.6
217.04921	5.4
218.05171	0.3
234.07581	3.5
235.05930	1.1
240.06598	0.2
242.08029	0.4
248.05443	0.2
253.06978	1.6
254.08038	0.5
258.07501	0.7
270.07538	0.7
286.59384	0.2
288.08582	0.2
300.08612	0.6
318.09442	0.2
336.10791	0.3
354.11679	1.3
426.42279	0.2
606.16827	0.2
606.21851	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	606.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05500	0.9
65.03941	0.6
67.05491	2.4
68.99780	1.5
69.07064	11.5
69.09965	2.3
69.10371	1.1
75.33263	0.5
79.05478	2.0
81.07047	6.6
83.01307	0.7
91.05481	2.6
93.07030	1.9
95.04959	1.5
95.08617	4.0
95.53705	0.5
103.05475	1.0
105.07022	0.8
107.04949	0.9
109.10148	3.0
115.05361	0.7
119.04929	0.6
121.02852	0.6
121.06496	4.4
123.11694	6.5
131.04932	3.2
133.02852	6.7
133.06503	1.1
134.03636	1.5
135.08066	0.5
137.05963	1.7
137.13245	2.2
137.67651	0.5
139.03897	1.3
140.04686	0.9
142.07793	0.9
143.04889	1.0
143.08603	0.6
145.06468	0.8
147.04405	2.7
147.08043	0.7
149.02396	0.5
149.06004	2.5
151.03928	1.1
153.05518	2.9
157.02785	0.9
157.10085	1.3
157.60509	0.6
159.04385	1.4
160.05132	0.6
161.02307	0.6
161.05946	2.7
162.03111	11.1
163.03885	1.0
165.05534	3.1
165.06827	0.8
167.03355	1.6
170.07280	0.7
171.04378	1.3
171.07986	0.7
173.05917	1.0
173.66066	0.6
174.03099	1.1
175.03906	2.0
175.07556	1.7
176.04659	1.6
177.05441	10.7
178.02577	2.3
178.06184	0.7
179.03386	1.0
179.06996	1.3
179.17871	0.7
181.04930	0.7
181.06468	0.8
183.04398	0.9
185.02254	1.1
185.05980	1.1
185.09628	1.3
187.03951	1.1
187.07513	1.1
188.04634	0.8
189.05463	7.3
190.02591	13.4
191.03345	2.7
191.06979	3.7
192.04182	0.9
193.04945	38.0
193.08601	2.1
194.05382	0.7
194.60149	0.5
195.08049	1.0
198.03380	0.5
198.06709	1.0
199.03854	3.0
199.07549	1.3
200.04645	0.6
201.05400	3.7
202.02599	1.3
203.03384	3.7
203.06993	4.5
204.04240	0.8
205.04942	100.0
206.05319	1.7
207.06474	11.1
213.05450	1.6
213.09059	2.6
215.07016	2.4
216.04179	0.8
217.03003	0.9
217.04935	13.8
217.08556	1.6
218.09204	0.7
219.06482	11.0
221.06056	0.8
225.05487	0.8
226.06248	1.3
227.06915	1.8
229.04868	1.6
229.08513	0.8
230.02097	0.6
231.06505	9.5
231.10149	1.2
233.04398	2.5
233.08092	2.1
235.07564	1.0
237.05444	1.1
241.08591	9.3
244.07100	1.0
245.04468	10.1
245.08084	2.2
247.09602	0.8
250.06245	0.8
251.07018	0.7
252.07791	1.5
255.06508	1.5
255.10170	1.4
259.05933	0.8
259.09589	2.9
261.07578	1.4
261.11234	2.5
263.06924	1.3
265.04941	1.0
265.08600	1.0
267.06360	1.0
271.05957	0.6
273.11200	27.0
274.11597	0.8
275.06665	0.7
275.09259	0.7
276.17126	0.8
277.04770	0.8
279.06348	1.6
280.07248	2.0
281.08026	1.8
283.05908	1.1
285.10992	1.2
287.09225	0.6
287.12869	0.7
289.04874	0.5
291.06564	2.0
292.07285	1.5
293.04678	1.0
293.07874	1.2
294.05020	0.7
295.05960	1.3
301.10788	0.8
304.07257	0.7
305.04614	0.7
305.07986	1.4
307.05994	0.7
308.06714	3.5
309.07523	3.7
310.08087	1.1
311.05609	0.7
311.08945	1.0
314.07819	0.7
319.05933	2.1
320.06671	1.2
321.07462	1.8
323.05466	1.1
323.09042	2.2
324.06122	0.7
325.06915	1.5
329.17404	2.2
333.07278	1.0
335.09106	2.0
336.06174	3.1
337.07080	6.3
337.10681	1.2
338.07794	2.7
339.08459	1.4
341.10165	0.7
341.17371	2.0
342.11053	1.9
343.25626	0.7
347.05545	0.9
347.09232	0.8
349.06793	0.9
349.10681	0.7
351.08557	13.0
351.12796	0.7
352.08868	0.8
353.10123	6.7
357.16867	0.8
361.06598	0.7
363.08594	1.4
365.06287	1.2
365.10266	2.5
367.11768	0.7
369.09671	8.4
373.10513	0.8
375.08539	0.9
379.07965	7.0
379.12054	1.0
383.11157	4.5
390.10867	1.2
393.13293	1.4
397.09045	20.7
405.13297	2.7
406.14447	0.9
409.09262	0.7
411.10233	2.9
419.15042	0.6
421.16693	0.9
425.11972	8.6
433.12701	1.0
439.13852	6.3
447.14331	2.0
451.13785	0.9
453.15384	2.6
461.19608	1.5
465.15363	14.5
477.15579	0.7
477.22565	0.9
493.22385	3.1
503.20074	0.7
519.19495	0.7
521.21558	8.3
533.21417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84945	0.5
55.01860	0.7
55.05495	1.3
68.32944	0.6
69.07056	6.3
69.24704	1.9
79.05469	0.6
81.07034	2.5
83.01318	1.0
83.08599	1.5
86.09692	1.3
88.58780	0.6
91.05450	0.8
93.07012	1.4
95.08584	1.7
109.10152	1.3
111.11702	2.3
111.12404	0.5
121.06474	5.2
123.11709	2.9
131.04922	3.4
133.02846	8.8
134.03641	1.5
135.11600	0.6
137.05939	1.8
137.13220	1.3
147.04335	0.7
149.05962	3.2
159.04428	1.3
162.03096	7.8
165.05428	1.3
176.04633	0.5
177.05460	2.8
177.12740	1.0
178.02592	5.8
189.05502	0.6
190.02582	13.4
191.03302	1.0
193.04936	63.0
194.05380	1.0
199.03867	1.3
205.04932	100.0
206.05264	1.8
207.06467	2.7
217.08270	0.7
219.06487	10.1
231.06473	1.5
233.08073	5.4
246.07549	0.8
247.09622	7.4
259.09686	1.7
261.11084	3.3
273.11166	7.2
285.11279	2.2
287.12735	0.8
299.12766	0.7
327.15942	1.2
329.17422	8.8
341.17413	2.3
397.09036	1.5
397.23502	1.0
430.67838	0.6
512.61017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1651
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside
Peak:m/z	Relative Intensity
53.03914	0.2
55.05491	0.2
57.03400	0.2
61.70361	0.1
68.99770	0.2
69.03413	0.9
69.07021	0.3
71.04967	0.2
73.02857	0.2
74.06055	0.2
79.05483	0.2
81.03364	0.5
81.07003	0.4
83.04930	0.2
83.07822	0.1
85.02882	1.1
85.06522	0.2
86.09706	0.1
91.05440	0.4
93.07002	0.4
95.08580	0.4
97.02827	0.4
97.06479	0.3
98.23508	0.3
99.04406	0.6
103.03890	0.5
104.08650	0.1
105.06973	0.4
107.08547	0.3
109.02837	0.3
109.10084	0.3
116.04902	0.2
119.08497	0.2
119.62777	0.2
120.06522	0.3
120.08942	0.2
121.10082	0.3
122.10459	0.2
125.05891	0.1
127.03925	1.1
132.04424	1.0
132.27544	0.1
133.02765	0.2
133.10004	0.1
135.08012	0.2
145.04900	0.6
145.08479	0.2
145.10075	0.4
149.05936	0.3
149.07047	0.4
151.03827	0.3
153.01814	1.0
163.03873	0.3
165.07007	0.2
167.10664	0.2
171.02820	0.5
175.03859	0.5
191.10619	0.2
210.12025	0.2
229.04892	0.5
233.08066	0.2
236.07140	0.5
255.06366	0.2
258.05197	11.3
259.05704	0.4
286.04663	33.1
287.05240	1.1
287.16461	0.2
293.25638	0.2
296.09128	0.3
299.05536	0.2
301.07007	100.0
302.07336	2.4
307.59470	0.2
343.08185	0.2
463.12180	0.2
545.16577	0.2
569.50757	0.2
589.15723	0.4
607.16608	2.2
607.27173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.05503	2.1
57.03419	0.6
61.02910	1.0
67.05482	0.5
68.31390	0.3
68.99784	0.6
69.03423	31.1
69.29111	0.7
69.29519	1.2
71.01332	1.1
71.04987	2.7
73.15553	0.3
81.07065	0.5
83.04970	7.0
85.02891	4.1
87.04470	0.6
91.05478	0.4
95.04964	0.5
95.08593	0.6
107.04933	0.4
111.00793	0.6
111.04427	8.4
115.03858	0.5
121.02858	1.7
127.03884	0.4
129.05466	14.6
137.02391	0.5
151.03952	0.4
153.01794	2.1
165.01836	1.5
189.07535	4.4
213.05556	0.9
233.18913	0.4
241.04915	0.5
258.05215	0.8
287.05460	100.0
288.05887	2.3
324.53275	0.4
329.06424	0.9
371.14478	0.5
397.09256	0.6
419.09698	11.1
444.93387	0.4
630.95447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79750	2.8
55.05515	4.9
55.67245	3.0
69.03419	4.4
69.19625	15.3
71.04983	33.3
72.08152	3.4
73.67893	2.5
83.04979	19.2
85.02892	10.9
87.04449	7.8
111.04426	34.2
113.06006	18.1
115.03908	4.7
116.83470	2.7
117.05439	6.5
121.02892	4.5
125.63503	2.5
128.65022	2.9
129.05464	51.8
137.05962	10.1
153.01740	4.2
158.23509	2.9
171.06519	14.8
175.07530	5.7
177.05690	2.9
189.07590	24.4
189.90094	2.8
232.07001	5.3
287.05478	100.0
305.09860	3.9
325.10489	11.8
419.09631	12.0
473.34256	2.9
542.04871	3.0
606.39166	4.1
607.19568	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
61.10151	0.3
62.59461	0.3
69.03416	1.0
70.06558	0.5
70.15435	0.7
70.15759	0.6
79.05477	0.7
81.03391	0.5
84.08131	1.0
85.02882	1.4
91.05506	0.3
94.49368	0.4
97.02887	1.9
106.06531	0.9
107.04951	1.5
109.02895	0.3
110.62813	0.3
114.13665	0.3
115.03918	5.1
116.04182	0.8
116.04963	8.9
127.03892	0.4
128.55014	0.4
129.10231	1.1
133.04929	0.7
134.06006	0.5
135.04419	1.5
136.07585	0.6
152.07031	1.8
183.60565	0.4
204.32178	0.4
221.08113	1.5
266.10211	5.0
299.06226	0.4
313.09229	0.5
317.08444	1.8
331.09995	0.5
355.06741	0.4
355.42953	0.4
410.14603	0.6
428.15378	1.9
445.13077	10.0
461.12408	0.4
568.34644	0.4
598.20038	0.4
607.18329	100.0
608.18616	6.4
608.27710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.184
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33115	0.4
70.06599	0.9
70.60771	0.9
84.08147	1.7
85.02865	0.6
86.09689	0.6
97.02925	0.5
106.06534	0.6
115.03926	1.3
116.04980	2.4
121.63125	0.4
129.10225	2.8
130.12827	0.5
134.06087	0.6
135.04381	0.7
136.07585	1.3
152.07091	1.7
231.14648	0.4
233.95139	0.5
266.10278	1.0
313.08752	0.5
317.08356	1.6
399.12823	0.6
410.25861	0.5
428.15518	1.6
445.13101	9.0
461.13013	1.0
607.18347	100.0
608.18835	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	607.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65392	0.2
56.75194	0.3
59.01248	0.2
59.88868	0.2
61.99468	0.2
63.25877	0.2
69.16836	0.2
69.51720	1.0
70.49361	0.2
76.28899	0.2
83.08636	0.2
98.22800	0.5
154.12253	0.2
154.19151	0.3
167.07077	0.2
176.04465	0.4
177.05243	0.4
182.15475	0.2
185.50917	0.2
210.14847	0.2
343.11539	0.4
395.10953	3.6
410.13297	10.4
411.13965	1.0
423.14114	0.4
577.20343	0.4
607.21399	100.0
608.21698	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	607.2147
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
60.04469	0.5
67.05479	0.7
69.03410	0.8
79.05465	0.5
85.02890	0.6
85.06501	0.5
91.05429	0.7
93.07023	0.8
95.04936	0.6
95.08582	0.7
97.02889	0.6
103.60014	0.4
105.07063	0.8
109.10111	0.6
121.10078	0.6
133.10069	0.8
137.05923	0.5
138.09065	0.7
173.09547	0.5
229.31590	0.5
280.59802	0.4
282.60129	0.5
343.11032	0.5
395.11057	2.8
409.12488	0.5
410.13315	9.1
411.13791	0.6
444.33041	1.0
577.19934	0.6
607.21173	100.0
608.21570	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2143
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
54.09141	0.2
55.63020	0.2
55.81207	0.2
63.92664	0.2
69.03442	0.3
71.44675	0.3
81.07011	0.3
85.02883	0.3
91.97482	0.2
95.08590	0.3
97.02913	0.2
100.20600	0.2
104.20795	0.2
111.48385	0.2
115.03897	0.2
122.43530	0.2
137.05933	0.4
177.05287	0.4
185.23103	0.2
191.03358	2.0
205.04877	0.3
215.61121	0.2
232.07022	0.3
271.06009	0.6
287.05521	0.5
313.14319	0.8
353.97610	0.3
361.10349	1.4
362.11029	0.4
363.12094	0.6
365.09909	0.8
377.09799	1.6
379.11539	0.6
380.12262	2.1
381.13019	0.5
389.67004	0.3
392.12268	2.3
393.12930	0.4
395.11008	3.8
409.12576	0.4
410.13272	8.8
411.13818	1.3
428.06403	0.2
497.24429	0.2
559.19116	0.6
577.20319	1.4
607.21362	100.0
608.21796	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	607.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05457	0.4
69.85316	0.9
79.05473	0.5
85.02898	0.4
91.05460	0.5
118.43542	0.3
137.05913	0.4
165.09111	0.6
175.03763	0.5
177.05338	0.4
243.08487	0.8
247.12956	0.5
258.05246	2.6
286.04660	9.1
301.07013	24.0
302.07275	0.5
361.10294	1.3
363.11911	0.6
365.09888	1.1
377.09842	1.6
379.11490	0.8
380.12329	2.1
381.12881	0.9
382.56781	0.5
392.12225	2.5
395.10876	4.2
410.13266	8.4
411.13855	1.5
429.43567	0.4
577.20172	1.9
607.21118	100.0
608.21613	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	607.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
54.09606	0.4
55.01861	3.8
57.03422	1.1
57.59581	0.4
59.04985	0.9
61.02915	0.7
63.74878	0.4
69.03062	0.7
69.03416	7.9
70.02933	0.9
70.05932	0.6
70.06224	0.6
70.06571	0.7
71.04973	1.0
73.02896	0.9
79.05481	7.9
81.03400	2.9
81.07015	0.8
84.08115	0.5
85.02895	6.6
86.09682	0.8
87.04470	3.2
91.05453	2.4
95.04927	1.0
97.02879	9.1
98.23339	0.7
99.04416	0.8
103.05456	0.6
106.06541	14.0
107.04932	17.8
109.02853	1.9
109.06506	1.0
110.07108	0.5
115.03913	47.7
116.04258	0.6
116.04978	6.3
119.04916	0.6
122.05991	0.4
124.07616	0.6
127.03872	3.5
131.04881	0.5
133.04945	4.6
134.05995	10.3
135.03458	0.8
135.04401	8.7
135.06514	0.5
145.04906	1.4
147.04401	0.7
152.07043	100.0
153.05479	0.5
153.07396	1.4
158.06009	0.8
163.03847	0.7
176.07051	1.7
187.05946	0.6
194.08095	3.1
215.07028	0.5
241.07025	0.6
253.12802	0.6
259.08170	3.1
259.10455	0.5
277.09167	3.1
296.11188	0.5
308.11252	0.6
361.73303	0.5
374.12238	1.1
376.85214	0.4
392.13470	1.1
410.09134	0.8
410.14389	10.5
428.15466	40.2
429.15677	1.4
445.12988	0.7
572.19550	2.2
590.20300	2.0
607.18176	13.0
608.18286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2356
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
51.83453	0.3
52.24065	0.4
57.61284	0.3
87.35927	0.3
88.32540	0.3
111.04237	0.7
185.04189	0.4
189.05211	18.8
190.05945	2.3
322.10355	0.4
335.59357	0.3
429.14978	2.2
444.17474	2.0
445.18216	11.9
445.24130	0.6
446.18826	0.7
547.20789	0.4
581.43262	0.3
607.23560	100.0
608.23975	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	607.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68045	0.9
55.76042	0.9
55.81565	0.8
58.08395	1.0
67.00826	1.0
72.39394	0.9
79.06968	0.9
87.59061	1.0
121.18906	1.1
125.64830	0.9
132.61400	1.0
180.56203	0.9
196.43161	1.2
373.13916	1.0
388.16739	1.9
389.17630	3.6
391.18967	1.5
401.17703	2.3
403.19327	5.0
404.19965	2.8
405.20874	2.4
416.15857	2.3
417.17032	4.9
417.21509	2.9
419.22360	7.0
431.18182	9.9
432.19247	3.3
433.20230	2.8
443.18973	1.2
445.20096	9.8
446.21033	9.5
447.21658	11.6
459.17474	2.1
461.19537	2.1
466.61978	1.1
473.19183	2.1
474.20416	11.8
475.21115	12.5
476.21896	1.8
487.21524	3.3
491.20471	2.1
501.22855	2.1
519.23975	14.8
520.24146	1.7
547.23334	69.7
548.23755	3.4
561.24963	1.6
579.26013	4.1
607.25378	100.0
608.25549	6.4
630.41132	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2546
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.44309	0.3
67.08394	0.3
79.70886	0.2
81.07043	0.3
86.34438	0.3
95.51244	0.2
203.10638	0.3
209.10820	0.4
221.10786	0.5
310.13638	0.3
351.16144	0.3
373.14560	0.6
373.50726	0.4
374.15399	0.5
375.16049	0.8
386.16043	0.4
387.16330	0.5
388.16656	1.1
389.17590	3.4
389.98187	0.3
390.18140	1.5
391.19028	1.2
392.20105	0.4
401.17886	0.6
402.18491	1.2
403.15106	0.8
403.19504	4.6
403.48218	0.3
404.19992	1.6
405.20764	3.6
407.22421	0.3
415.19272	0.5
416.16266	1.2
417.16132	3.9
417.21225	1.9
418.17529	0.9
418.21930	0.8
419.22437	5.3
420.22797	1.0
429.16849	0.5
430.17886	1.0
431.18188	7.6
431.23682	0.5
432.18927	3.3
433.20074	3.5
443.18387	0.6
444.19696	0.5
445.20059	5.0
446.21024	7.8
447.21573	8.1
448.22568	0.7
449.19672	0.5
459.18011	1.3
459.22897	0.6
460.18146	0.5
460.23288	0.6
461.19708	1.6
462.24399	0.5
463.20486	0.6
463.26147	0.4
473.18665	0.6
473.24228	0.6
474.20319	4.6
475.20886	4.1
476.21790	0.6
477.22952	0.6
478.23532	0.7
487.21133	1.5
488.21793	0.4
490.23639	0.3
491.19839	2.5
501.22864	1.0
504.21252	0.4
505.22260	0.6
506.23077	0.4
519.24023	13.7
520.24390	0.7
547.23322	10.8
548.23657	1.0
551.26556	0.5
561.25781	0.3
579.25983	5.7
607.25415	100.0
608.25757	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	607.2541
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
54.65985	0.4
67.24294	0.4
69.88445	1.1
69.88774	0.7
79.05461	0.8
79.88250	0.6
94.06533	0.9
98.22839	0.8
99.27638	0.5
113.66258	0.5
118.06542	1.1
120.08092	1.1
124.70021	0.5
130.06566	0.7
132.08154	1.0
146.06009	0.6
146.79587	0.5
158.09586	0.5
172.03934	1.1
180.06613	0.6
183.09103	0.9
196.09857	0.9
197.10689	1.4
204.06599	1.4
207.09097	1.5
208.09991	1.9
209.10751	2.4
210.11533	1.9
211.12216	1.3
212.13043	1.0
221.10791	2.3
222.11600	1.6
223.08684	1.1
223.12294	4.2
224.13075	1.2
225.10216	1.0
225.13794	5.6
226.14690	1.1
233.10710	0.9
235.08589	1.5
235.12283	1.7
236.09476	1.0
236.13271	0.8
237.10167	2.0
237.13852	4.2
238.14536	0.8
239.11836	0.7
239.15410	2.0
247.12256	0.9
249.10120	3.7
249.13893	1.9
250.10966	0.7
251.08119	1.4
251.11835	1.6
261.10352	0.6
261.13467	0.8
263.11816	0.6
265.09778	1.2
265.13345	0.9
265.34985	0.5
267.11273	0.7
269.12866	2.6
270.13477	0.8
274.14206	0.7
275.15302	1.0
277.09610	0.7
279.11234	0.7
281.12891	0.6
293.09561	0.7
293.12915	0.9
295.10986	1.1
298.13528	0.6
300.15240	0.7
305.09262	0.8
308.11942	0.7
309.12857	0.6
312.11368	0.8
312.14957	0.6
314.12921	0.7
322.09982	0.6
323.10498	0.8
323.14191	0.8
324.11316	1.0
324.14999	0.9
325.12137	1.1
326.12830	0.6
326.16528	0.6
328.14774	0.6
336.11362	0.9
337.12149	0.8
338.12909	2.8
338.16446	0.8
339.13791	1.2
340.14389	1.5
342.15976	0.8
350.12848	1.2
351.13800	0.7
352.14450	1.7
354.12277	0.7
364.14474	0.7
365.15213	0.5
366.12106	0.6
366.16135	0.8
368.13696	1.1
368.17740	1.7
370.15741	1.1
382.11752	0.8
387.16226	0.8
388.16959	1.0
394.15475	0.9
396.12994	1.2
401.13507	0.8
401.18112	1.0
402.14554	0.7
403.19495	1.5
411.15756	0.8
412.16638	0.9
414.15103	0.8
415.15274	1.4
416.16309	2.1
417.16522	3.5
418.17551	0.7
424.12766	0.7
426.18143	0.9
427.15186	0.7
428.16245	0.9
429.16733	2.4
430.18140	1.8
431.18417	4.8
432.19131	1.3
440.16385	0.7
443.18735	2.2
444.19577	1.8
445.20612	4.6
446.21164	3.9
447.21906	5.3
454.17520	2.4
459.22794	2.8
460.22452	1.5
461.23831	0.9
471.17804	0.7
472.18829	2.3
473.19250	1.6
473.24515	0.8
474.20316	3.6
475.20499	2.5
487.21442	2.7
488.21606	0.9
491.20786	0.7
501.22784	2.4
503.24387	1.1
504.21368	0.7
505.22781	1.2
515.20709	1.6
519.24182	3.5
529.22284	1.2
531.24097	1.9
534.22614	1.7
537.21136	0.6
547.23322	38.3
548.23590	2.2
557.21100	0.9
561.24890	0.7
575.22864	9.4
579.25500	0.8
589.24408	2.3
607.25397	100.0
608.25537	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2905
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
66.30430	0.4
68.46124	0.5
69.24251	1.6
69.24663	0.8
98.01482	0.5
98.22710	1.0
123.33389	0.5
135.52385	0.5
387.15945	0.9
388.16833	1.4
389.17816	2.2
390.18182	0.6
399.24658	0.5
401.17639	1.4
402.18405	2.3
403.19226	6.1
404.20123	1.8
405.20517	2.5
415.19461	1.4
416.19925	1.8
417.16797	1.7
417.21274	6.4
418.21649	4.1
419.22214	6.2
430.17764	1.5
430.22397	0.7
431.18060	12.9
431.23703	1.1
432.18634	3.1
433.24054	11.8
434.24313	1.5
444.18707	1.0
445.19778	16.7
446.20508	6.7
447.21677	5.5
449.23184	0.6
452.85281	0.5
459.21371	6.5
460.22452	13.4
460.28436	0.7
461.23297	13.9
462.24405	0.6
473.23587	3.4
474.24185	1.2
477.22781	1.0
487.25122	1.5
488.25650	0.6
489.23068	0.8
505.21912	2.8
519.23138	1.1
519.28510	1.0
532.24384	0.9
547.26953	41.1
548.27637	3.3
575.26697	0.8
579.29364	1.2
607.29047	100.0
608.29382	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	607.2902
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
57.62982	0.3
69.24559	2.3
76.35145	0.3
78.38877	0.4
104.39358	0.4
174.05962	0.3
175.11537	0.3
180.99292	0.3
235.05893	0.4
264.88815	0.3
267.26630	0.4
333.24588	0.4
389.17554	0.5
402.18430	0.6
403.19156	1.5
405.20718	0.8
415.19275	0.5
416.20282	0.6
417.21234	1.8
418.21738	0.9
419.22430	2.0
431.18158	5.1
432.19461	1.3
433.23969	4.7
434.24661	0.8
445.19690	5.0
446.20496	1.8
447.21490	2.9
459.21619	2.7
460.22458	7.3
461.23203	7.2
473.23712	1.9
474.24155	0.5
477.22733	0.5
487.24704	1.2
489.22806	0.4
492.25009	0.7
505.22455	1.4
519.23010	1.8
533.25629	0.5
547.26965	18.7
548.27435	1.0
575.26324	0.6
607.29034	100.0
608.29254	6.3
613.70667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	26.9
56.44771	10.8
60.04507	29.0
62.71410	11.7
64.74867	12.1
67.05484	44.2
69.07064	33.3
69.87335	36.1
71.05005	11.7
79.05487	21.7
79.53510	12.1
81.07045	81.4
83.08601	14.0
86.09680	13.7
91.05450	13.7
93.07017	41.3
95.08607	68.3
99.08122	14.4
105.07028	29.6
106.05021	100.0
107.08580	39.0
109.10174	61.1
115.22470	12.8
121.10100	26.6
123.11687	31.5
134.84236	13.1
137.09590	20.4
143.35165	12.9
149.13246	19.3
157.10150	13.0
163.03900	22.2
164.29161	14.1
165.09064	21.8
287.05310	21.3
305.24582	31.9
410.28918	37.2
428.29996	36.9
608.30664	26.9
609.28900	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	609.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89260	0.5
56.96507	14.6
56.96806	1.2
62.16146	0.5
69.91553	1.0
69.91943	1.1
76.47363	0.5
84.95570	0.4
84.96012	4.0
88.10349	0.5
89.71938	0.5
98.06451	0.5
98.07265	0.6
98.23369	1.0
98.97569	56.5
102.97055	0.8
110.97550	7.3
112.99062	1.4
116.98603	17.8
124.99049	1.5
127.00662	5.4
128.98573	4.9
131.00119	1.3
134.99675	3.1
140.98521	1.6
143.00146	5.1
144.98000	0.5
145.01732	3.0
145.80586	0.5
146.83595	0.6
146.99554	2.1
147.07507	0.5
152.98526	6.3
155.00015	0.8
158.99631	29.1
160.81096	0.6
161.01205	3.5
169.01633	1.1
170.99626	28.9
171.01112	1.4
173.01167	1.5
174.00069	0.5
177.00687	15.6
178.26201	0.5
179.02193	1.2
187.02705	0.8
189.00682	31.0
191.02191	0.6
194.99564	8.7
195.01413	0.8
197.55396	0.5
201.00633	3.5
204.01086	0.6
207.01749	8.1
213.00647	24.8
215.02129	0.6
219.01733	22.4
222.01297	0.5
224.01497	0.4
229.03935	0.6
231.01723	8.1
237.02777	21.4
243.01637	0.8
248.05399	0.6
252.02235	0.8
255.01703	8.0
255.04059	0.9
257.03256	0.8
260.87286	0.6
261.02689	1.0
267.01593	0.7
273.02768	1.8
287.04361	0.7
297.03055	0.8
305.05313	1.4
315.03787	7.2
324.04346	1.8
333.04861	100.0
334.05112	1.8
351.05927	99.9
352.06265	1.8
374.07596	1.4
375.05774	0.8
393.06931	14.1
394.07416	0.8
432.28775	0.6
453.08981	5.2
513.11133	2.2
542.84839	0.7
609.13458	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.0
67.79461	0.6
69.27740	2.4
86.44744	0.5
98.97583	3.8
116.98638	1.3
127.00685	0.6
158.99681	1.6
164.33278	0.5
169.32701	0.6
170.99648	2.0
189.00728	2.2
191.61185	0.5
213.00740	1.2
217.60933	0.5
219.01767	0.9
219.44424	0.6
237.02849	1.5
309.35257	0.6
333.04929	4.7
351.05963	4.6
360.15652	0.6
393.07071	0.9
609.14185	100.0
610.14569	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	609.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	5.4
70.84634	0.5
84.96026	2.0
86.05118	0.5
98.97572	22.6
103.06192	0.5
110.97581	2.2
112.99143	0.5
116.98608	9.4
127.00689	1.2
128.98586	3.2
134.99648	1.5
143.00179	1.1
144.97949	0.6
145.01695	0.7
146.99663	1.5
150.94211	0.6
152.98618	1.7
158.99644	11.3
161.01242	1.9
170.99635	10.5
173.01210	0.9
177.00700	8.5
179.02267	0.7
187.02806	0.5
189.00685	14.9
194.99655	3.5
195.01372	0.5
201.00780	2.0
207.01772	3.9
213.00684	11.4
213.02536	0.8
219.01738	10.3
231.01788	4.9
234.99074	0.7
236.99011	1.8
237.02788	13.0
255.01942	3.5
255.04117	0.8
267.01776	0.6
273.02771	0.9
275.00613	2.4
275.38171	0.5
293.01724	0.6
297.03110	0.7
305.37430	0.5
315.03766	5.4
331.00995	0.8
333.01181	2.7
333.04840	29.6
334.05286	0.6
351.02280	1.1
351.05920	24.1
374.07700	0.6
375.05908	4.2
393.06915	9.2
453.08902	4.2
498.28958	0.5
513.11212	2.1
546.43475	0.6
591.12494	2.1
609.14032	100.0
610.14124	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	609.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67488	0.5
53.83253	0.5
56.96556	1.4
71.41230	0.5
84.41879	0.5
91.05783	0.7
98.97574	3.1
110.97521	0.8
116.98637	2.2
120.08073	0.8
128.98566	0.9
158.99661	2.0
166.08588	0.7
170.99657	1.5
171.30913	0.6
177.00735	1.3
189.00708	1.7
207.01729	0.7
209.23210	0.6
213.00798	2.0
219.01788	1.9
237.02705	2.8
255.01892	0.6
263.26462	0.5
275.00916	0.5
297.71085	0.5
315.03900	1.2
333.04727	4.4
351.05875	5.3
354.50262	0.6
375.06216	0.6
393.06961	1.2
453.09250	1.2
591.13330	0.8
609.14178	100.0
610.14343	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	609.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.1
60.15595	0.4
69.89765	1.3
73.77613	0.4
77.86331	0.4
98.32836	0.5
98.97581	2.8
109.06783	0.5
110.97594	0.9
116.98614	0.6
128.98631	0.7
154.10631	0.5
158.11440	0.4
158.99680	1.8
170.99660	1.7
177.00739	0.7
189.00734	1.4
201.00862	0.4
213.00755	1.2
219.01701	2.5
228.54626	0.5
237.02885	2.1
315.03806	1.2
333.04825	4.4
351.05893	4.0
393.07080	1.6
508.71103	0.5
539.41425	0.5
555.97693	0.5
562.85083	0.5
609.14172	100.0
610.14661	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	609.1447
Annotation	Kaempferol 3-rhamnoside-7-galacturonide
Peak:m/z	Relative Intensity
53.58944	0.1
55.01855	0.2
57.03413	0.6
61.74498	0.1
63.16305	0.2
68.99792	0.4
69.68652	0.5
70.06603	0.1
71.01344	0.7
71.04983	0.6
71.28979	0.1
73.02908	1.7
75.04472	0.2
80.67027	0.2
85.02895	4.3
86.09705	0.3
95.01314	0.5
97.02879	0.2
99.00813	0.3
101.02385	0.3
103.03974	0.3
105.03424	0.3
111.00784	0.5
113.02356	1.5
120.08047	0.2
120.69655	0.1
121.02854	1.8
121.60676	0.1
129.05441	0.3
131.03401	1.0
131.20410	0.2
133.02818	0.6
137.02332	0.5
141.01842	0.8
147.04355	0.3
153.01810	3.0
157.06531	0.3
159.02933	0.8
165.01814	1.5
183.02890	0.6
185.05989	0.3
199.03714	0.2
205.70825	0.2
212.59857	0.2
213.05446	1.1
231.06532	0.4
241.04915	0.8
258.05261	0.9
269.04559	0.2
271.05975	2.1
277.88577	0.2
287.05463	100.0
288.05762	1.9
348.48813	0.2
405.05978	0.2
433.11264	3.8
463.08566	0.5
609.20105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1447
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
53.03943	1.6
57.03423	1.0
60.06871	0.4
61.02919	0.7
61.36949	0.3
68.99792	0.5
69.03426	5.0
69.06695	2.4
71.01374	0.3
71.04987	1.2
73.02895	1.2
78.23333	0.3
81.03412	7.0
82.26908	0.3
84.36176	0.3
85.02896	12.7
86.09672	0.5
89.06036	0.4
90.43679	0.4
97.02892	8.8
98.23405	0.8
99.04446	9.6
103.03934	9.5
107.04945	0.3
109.02173	0.6
109.02869	6.7
111.00790	0.5
115.03919	1.1
121.02885	1.0
121.06563	0.3
123.04369	0.4
127.03904	21.0
127.59982	0.4
130.67424	0.3
137.02316	3.4
145.04958	7.2
153.01811	3.7
163.03909	0.4
163.05969	0.9
165.01820	1.6
169.04887	0.4
173.05942	0.5
175.03709	0.5
183.02879	0.9
183.04402	0.4
187.05989	1.8
201.05498	1.7
229.04927	3.9
230.11821	0.4
257.04398	2.4
271.08084	1.1
274.04843	0.7
285.03958	1.4
287.05417	0.4
303.04959	100.0
304.05362	2.5
306.66135	0.3
327.05051	0.5
345.05988	2.3
355.07526	0.4
365.29694	0.4
369.06143	0.5
411.06927	0.6
424.06931	0.3
609.19336	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76701	0.4
70.57707	0.8
73.04789	0.6
73.58346	0.4
81.07047	1.2
91.05412	0.5
91.05824	0.8
91.09207	0.4
97.02862	0.6
115.03920	0.9
119.04941	3.7
132.07848	0.5
137.05913	0.5
147.04384	13.2
153.01813	2.1
161.42990	0.4
171.02838	0.8
175.03821	1.0
249.77196	0.5
258.02621	1.0
258.05222	14.3
259.05670	0.8
286.04675	32.1
287.05157	1.3
291.08713	0.5
301.07022	100.0
302.07343	4.2
335.09497	0.8
355.07141	0.9
396.11121	0.7
397.11691	0.6
410.13278	0.8
411.13589	2.1
412.13937	2.1
466.04715	0.4
477.24298	0.9
608.21710	2.5
609.21674	52.4
609.28723	8.3
610.22064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1598
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
52.57189	0.1
52.61384	0.1
59.32393	0.1
61.16116	0.1
65.03929	0.2
67.01851	0.3
68.99795	0.2
69.03425	0.2
69.08213	0.8
81.03404	0.9
85.02918	0.2
91.05441	2.2
97.02882	0.1
98.22690	0.3
99.77634	0.1
109.02845	0.4
111.00794	0.2
114.88991	0.1
119.04929	4.9
120.05244	0.1
125.05971	0.2
147.04385	28.1
148.04709	0.5
149.05930	0.6
151.03850	0.4
153.01807	2.1
165.05487	0.8
171.02844	0.9
175.03914	0.7
193.04913	0.2
201.05411	0.2
229.04897	0.5
231.34172	0.1
255.06493	0.4
258.05200	13.0
259.05673	0.5
266.53873	0.1
269.04425	0.2
271.05951	0.2
286.04666	32.5
287.05008	1.2
291.08517	1.7
301.07013	100.0
302.03955	0.2
302.07355	3.4
309.09662	0.8
335.09396	0.2
390.65485	0.2
408.00610	0.1
440.48029	0.2
609.29291	2.4
610.28693	0.2
615.63049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44997	0.9
55.05484	1.1
67.05458	1.0
70.06565	2.0
76.24036	0.8
81.07016	0.9
88.01211	0.8
90.55671	0.8
91.05740	2.8
95.08568	1.0
100.11206	1.4
109.10112	0.9
119.08355	0.7
137.05917	1.2
148.33961	0.8
159.04169	15.2
205.04637	2.6
234.08539	2.1
239.09442	1.2
245.07730	2.2
287.05255	1.7
301.06784	1.1
313.48849	0.8
333.07721	1.5
355.06808	2.2
383.14236	1.1
397.12561	4.8
412.14877	7.4
413.15121	1.3
441.51764	1.0
609.22186	100.0
610.22552	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	609.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76259	1.1
64.11715	0.8
68.78323	0.8
71.44588	1.0
91.05772	2.1
97.46330	0.9
104.20864	0.8
105.33974	0.9
113.05805	0.9
120.50925	0.8
127.50364	0.9
136.88513	0.9
147.87279	0.9
292.52161	1.1
293.13150	0.9
299.06552	1.7
355.06870	2.2
367.09860	1.6
609.25018	100.0
610.25366	4.3
618.65265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.25845	1.8
51.72392	1.8
62.31235	1.6
66.68326	1.6
67.05525	2.0
69.44456	8.5
75.07818	1.6
77.87337	1.7
89.06013	3.9
89.13053	1.7
98.23489	2.2
107.08685	2.1
133.08540	2.3
137.87096	1.6
147.52257	2.0
148.96878	1.7
154.11235	1.6
166.32785	1.7
243.71100	1.6
355.07126	2.4
392.19946	1.8
405.20853	3.9
406.21692	2.9
407.22174	4.2
421.23969	3.4
429.21219	2.8
447.17749	3.7
449.22842	2.1
457.24493	2.7
460.22781	3.2
461.19592	7.8
463.21039	2.3
475.20944	9.9
476.22018	6.8
477.22821	5.3
485.23413	6.0
486.20282	2.5
489.22943	3.9
499.21100	5.2
503.24573	8.5
504.23669	1.9
511.34152	2.9
515.24353	7.1
517.22784	1.9
531.24023	12.2
549.23737	2.6
550.25684	6.2
559.23688	4.6
577.23737	3.2
591.25922	16.3
609.26898	100.0
610.27301	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	609.2697
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.50896	0.6
54.37817	0.5
69.38604	2.3
96.39043	0.4
98.22706	1.0
169.04012	0.6
237.13907	0.8
249.14047	0.6
312.55017	0.5
376.17142	0.7
377.17590	0.9
390.18582	0.8
391.19092	1.8
392.19736	0.9
402.18777	0.6
404.20276	0.7
405.20413	2.5
406.21582	1.9
407.22137	2.9
415.19522	1.4
417.21252	0.7
419.17825	0.7
419.22693	1.1
421.23816	4.0
422.24820	0.8
427.19159	0.7
429.20779	1.9
430.22095	1.2
431.22980	0.7
432.19525	0.8
433.24496	1.1
443.22372	1.1
444.23166	1.6
445.19937	1.2
447.17618	1.1
449.23282	0.7
456.19583	0.6
457.23886	2.5
459.21768	1.9
460.22571	1.9
461.19852	3.1
462.20514	1.9
463.21118	1.1
468.01724	0.6
470.21130	0.9
472.22388	1.5
475.20834	7.0
476.21689	6.6
477.22385	4.8
479.24628	0.9
485.23520	11.2
486.20114	3.4
487.24759	1.5
488.21933	1.1
489.23050	4.7
494.26776	1.2
497.22678	0.9
499.21356	1.8
500.21689	1.8
502.23703	0.8
503.24573	7.0
504.25009	1.4
507.24045	0.8
513.22632	1.8
515.24420	8.6
517.22278	0.8
521.26257	2.7
531.23846	17.9
535.23364	1.3
541.22479	0.9
548.24323	1.1
549.24854	2.9
550.25690	5.2
559.23352	8.7
577.23907	1.2
591.25879	34.4
592.26410	2.9
609.26959	100.0
610.27435	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	609.2698
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05506	0.7
67.05497	2.3
69.07060	0.9
69.13170	2.1
69.13574	1.0
79.05481	2.0
81.07028	2.5
91.05466	1.7
93.07027	2.0
95.08624	1.6
98.22704	1.2
105.07033	2.1
107.08589	1.0
109.99728	0.5
119.08564	1.2
121.10149	1.1
126.82636	0.5
131.08554	1.2
133.10176	0.7
145.10095	1.2
147.11658	0.6
157.10059	0.6
158.00937	0.5
159.11649	1.2
171.11626	0.6
183.11650	0.6
223.12386	0.5
232.06215	0.6
251.15636	0.6
275.20114	1.8
355.07095	1.0
401.17499	0.5
404.19586	0.6
405.20728	0.6
415.19312	1.0
416.20038	1.2
419.22827	0.7
428.19748	0.6
429.20847	2.7
430.21494	1.2
431.17853	0.7
431.22891	0.8
433.19455	0.8
433.24283	1.4
435.21835	0.7
443.22305	1.4
444.23013	2.0
445.23877	1.7
446.16904	0.7
447.22391	2.4
448.22281	0.6
449.23404	0.7
457.20380	0.7
458.25061	0.7
459.21191	3.7
460.22702	2.6
461.24063	4.1
462.20740	2.0
463.20956	0.7
472.22372	2.2
473.23535	1.0
474.23880	0.6
475.20435	1.0
476.22202	1.6
477.23071	1.7
485.23389	1.6
487.24921	5.4
489.22827	1.9
492.25323	0.7
503.24448	1.5
519.23792	3.1
521.15149	0.6
521.21240	2.5
531.23840	14.6
532.24475	1.8
535.23431	0.8
549.24847	10.7
550.26233	0.9
591.25806	3.6
592.25659	0.9
609.26953	100.0
609.44940	3.4
610.27234	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01866	1.6
55.05504	15.2
57.03426	3.3
57.07070	2.3
65.03918	1.6
67.05156	1.9
67.05497	29.9
67.05859	1.5
69.07066	15.1
69.26250	5.1
71.04993	1.9
71.25900	0.9
73.04742	2.2
79.05485	20.5
81.07047	30.6
83.04963	2.1
83.08599	6.6
85.06528	1.3
91.05438	15.8
93.07035	21.7
95.04964	4.6
95.08595	21.7
97.06520	2.1
97.10168	3.8
98.23436	1.8
105.07008	16.9
107.08578	13.3
109.10143	10.3
111.08081	1.1
115.05454	1.8
117.07005	9.3
118.00882	0.8
119.06059	1.1
119.08556	18.7
121.10113	8.7
123.08083	1.7
123.11703	2.3
125.09644	1.8
128.06219	4.2
129.06998	11.6
130.07748	1.4
131.08563	17.0
133.10107	11.6
135.11668	5.6
137.13213	1.0
141.06956	6.5
142.07747	3.5
143.08554	16.5
144.09343	1.0
145.10112	20.2
147.11659	7.9
149.13278	3.1
151.14880	1.4
153.07063	1.4
154.07770	1.8
155.08531	14.5
156.09291	2.9
157.10106	16.6
159.11682	14.1
161.13228	5.3
163.14885	1.4
165.06963	1.9
167.05508	1.6
167.08574	8.1
168.09377	2.3
169.10115	17.1
170.10699	1.1
171.11664	14.9
173.13232	7.5
175.14793	2.0
179.08528	2.2
180.09215	1.5
181.10104	10.4
183.11673	18.6
185.13245	12.0
187.14795	4.6
189.16365	1.9
192.09166	1.2
193.10133	2.8
195.11636	9.5
195.12918	0.9
196.12460	1.5
197.13220	14.1
198.13882	1.7
199.14748	7.8
201.16298	2.3
207.11719	3.6
209.13203	8.9
211.14799	8.5
213.16411	3.7
219.11737	1.4
221.13243	3.3
223.14751	6.5
225.16359	6.6
227.17929	3.4
235.14778	2.2
237.16278	6.1
239.09592	1.4
239.18019	3.9
241.19589	2.3
249.16426	2.6
251.17982	4.0
253.19504	1.7
261.16302	1.2
263.17947	1.3
265.19379	1.4
267.21289	1.5
275.20129	1.9
278.48349	1.0
279.20987	1.5
291.20926	1.6
295.20532	1.6
307.20584	1.7
309.22083	1.7
309.25891	1.5
311.23578	1.6
321.22012	1.4
323.23489	1.5
335.23322	1.7
337.25360	1.5
341.24777	1.0
347.23703	1.6
351.26859	2.3
353.24625	1.4
355.07031	3.6
363.26883	1.8
365.28479	1.6
391.29929	1.6
391.48740	1.1
407.22104	1.2
447.20654	1.4
447.32104	1.7
448.21750	1.2
449.22284	1.2
476.21304	1.3
499.39401	1.7
517.40454	12.0
521.24872	2.0
535.41516	6.4
539.37622	2.5
550.25629	2.4
573.42981	2.1
591.26086	1.6
591.44104	11.5
592.44629	1.4
609.25958	15.0
609.45020	100.0
610.45447	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	611.1599
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03936	0.1
57.03417	0.2
61.02890	0.1
67.01854	0.5
68.99745	0.5
69.03406	0.3
69.20060	0.5
81.03388	0.2
85.02885	1.4
87.04429	0.1
89.03890	0.2
91.05758	0.2
97.02892	0.5
109.02866	0.2
110.08503	0.1
111.00762	0.1
111.04456	0.1
117.03328	0.1
125.02349	0.1
127.03865	0.3
129.01730	0.1
135.04401	1.6
137.02293	0.6
145.04881	0.3
152.19226	0.1
153.01794	4.7
154.02138	0.1
157.06454	0.1
161.02304	0.6
164.29100	0.1
171.02849	0.6
175.03574	0.2
179.03374	0.3
213.05386	0.1
219.06432	0.1
231.06343	0.1
241.04953	0.5
245.04337	0.1
259.05856	0.1
263.05536	0.1
269.04327	0.3
281.45273	0.1
287.05429	100.0
288.05756	2.9
303.04892	0.4
329.06607	0.1
330.35623	0.1
449.10712	2.3
450.10849	0.1
611.21124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Rutine
Peak:m/z	Relative Intensity
51.40153	0.2
52.16613	0.2
53.03930	0.3
55.01862	0.5
57.03418	0.6
61.02921	0.8
68.99775	0.4
69.03416	2.1
69.74808	0.5
71.04983	0.8
73.02908	0.3
73.04756	0.2
81.03422	1.1
81.82216	0.2
85.02895	6.6
85.03413	0.4
87.04465	0.3
91.03954	0.3
91.05795	0.4
93.03389	0.2
95.04955	0.2
96.30220	0.2
97.02885	2.5
98.22808	0.3
99.04430	0.5
109.02863	0.9
111.00785	0.7
121.02848	3.9
121.03660	0.3
127.03878	1.5
129.05478	0.2
137.02327	2.6
139.03903	0.5
145.04953	0.9
149.02290	0.5
153.01804	2.5
161.06003	0.2
163.03885	0.5
165.01839	1.7
166.02629	0.4
173.06000	0.4
183.02864	0.9
183.04341	0.3
195.02863	0.2
197.41460	0.2
201.05498	0.9
203.58884	0.2
219.02899	0.2
219.06525	0.3
228.04260	0.2
229.04913	3.6
247.06001	0.7
257.04419	2.4
265.07043	0.3
274.04694	0.7
283.08078	0.3
285.01083	0.2
285.03940	1.0
287.05478	2.2
303.04944	100.0
304.05280	3.0
317.95016	0.2
356.06952	0.4
396.54517	0.2
449.10715	3.6
600.01154	0.2
611.20093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03934	0.3
55.01860	0.4
55.05492	0.4
57.03430	2.3
61.02908	0.5
65.03932	0.3
68.99784	0.5
69.03426	1.6
70.06574	0.4
70.42361	0.5
71.04984	12.0
73.02901	0.5
73.04748	0.3
75.04452	0.7
79.05431	0.2
81.03400	0.9
81.07056	0.2
81.55603	0.2
83.04958	0.5
83.28173	0.2
85.02896	16.6
86.09702	0.3
87.04458	0.4
90.78139	0.2
91.03912	0.3
91.05782	0.7
93.03444	0.2
95.04930	0.4
97.02879	1.9
98.23410	0.2
99.04474	0.3
105.06998	0.3
109.02866	0.5
111.00802	0.7
111.04424	0.6
121.02862	1.0
123.04414	0.3
127.03880	0.9
129.05458	3.6
135.04321	0.2
137.02313	2.6
137.05920	0.4
139.70862	0.2
145.04933	0.9
147.06459	1.1
149.02258	0.4
150.23523	0.2
151.03909	0.3
153.01807	3.0
161.05930	0.3
163.03900	0.7
165.01828	1.7
166.02606	0.3
173.05913	0.3
177.08740	0.2
182.15282	0.2
183.02913	0.8
183.04417	0.3
187.03873	0.4
201.05469	1.4
229.04930	3.8
239.09532	0.2
247.05849	0.6
251.55481	0.3
257.04413	2.4
271.05923	0.5
272.06384	0.3
273.06729	0.3
274.04721	0.7
275.05374	0.3
285.03989	1.2
287.05487	1.9
303.04944	100.0
304.05286	2.8
345.06064	0.3
356.07071	0.6
442.68552	0.3
465.10315	0.6
551.24030	0.4
611.22137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1599
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03933	0.2
55.01853	0.2
57.03431	0.4
60.11996	0.1
61.02918	0.8
64.26132	0.1
65.03910	0.1
66.85289	0.1
68.99779	0.3
69.03053	0.1
69.03416	1.9
70.85371	0.1
71.04978	0.2
73.02921	0.3
73.04770	0.1
79.05463	0.1
81.03408	1.1
83.01328	0.1
85.02891	5.3
86.03210	0.1
87.04459	0.2
91.03947	0.3
91.05778	0.1
95.04952	0.1
97.02880	1.9
99.04432	0.3
100.38428	0.1
105.03366	0.3
107.04936	0.3
107.45671	0.1
108.33705	0.1
109.02859	0.6
111.00075	0.1
111.00781	0.6
111.04444	0.1
115.03884	0.1
121.02843	2.4
127.03891	1.2
133.02818	0.4
135.04422	0.1
137.02333	0.6
138.09151	0.1
141.06929	0.1
145.04944	0.9
145.06450	0.2
147.04366	0.5
147.07617	0.1
153.01805	2.7
157.06442	0.3
161.05981	0.2
163.03943	0.1
163.06076	0.1
165.01802	1.3
166.08632	0.2
171.02931	0.1
171.04390	0.1
183.02887	0.7
185.05922	0.4
189.05421	0.1
194.02165	0.1
197.05919	0.1
203.03401	0.1
203.07114	0.1
213.05464	1.0
229.04993	0.1
231.06409	0.6
241.04898	0.8
242.05627	0.1
243.06390	0.1
245.04459	0.1
258.05209	0.9
259.06012	0.4
266.10281	0.2
267.88495	0.1
269.04382	0.2
286.04446	0.1
287.05441	100.0
288.05774	3.2
299.05621	0.2
303.04953	0.4
311.05923	0.1
329.06293	0.2
353.06262	0.1
431.09378	0.1
431.18149	0.2
449.10696	5.4
450.10867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01853	0.2
57.03431	0.4
60.11996	0.1
61.02918	0.8
64.26132	0.1
65.03910	0.1
66.85289	0.1
68.99779	0.3
69.03053	0.1
69.03416	1.9
70.85371	0.1
71.04978	0.2
73.02921	0.3
73.04770	0.1
79.05463	0.1
81.03408	1.1
83.01328	0.1
85.02891	5.3
86.03210	0.1
87.04459	0.2
91.03947	0.3
91.05778	0.1
95.04952	0.1
97.02880	1.9
99.04432	0.3
100.38428	0.1
105.03366	0.3
107.04936	0.3
107.45671	0.1
108.33705	0.1
109.02859	0.6
111.00075	0.1
111.00781	0.6
111.04444	0.1
115.03884	0.1
121.02843	2.4
127.03891	1.2
133.02818	0.4
135.04422	0.1
137.02333	0.6
138.09151	0.1
141.06929	0.1
145.04944	0.9
145.06450	0.2
147.04366	0.5
147.07617	0.1
153.01805	2.7
157.06442	0.3
161.05981	0.2
163.03943	0.1
163.06076	0.1
165.01802	1.3
166.08632	0.2
171.02931	0.1
171.04390	0.1
183.02887	0.7
185.05922	0.4
189.05421	0.1
194.02165	0.1
197.05919	0.1
203.03401	0.1
203.07114	0.1
213.05464	1.0
229.04993	0.1
231.06409	0.6
241.04898	0.8
242.05627	0.1
243.06390	0.1
245.04459	0.1
258.05209	0.9
259.06012	0.4
266.10281	0.2
267.88495	0.1
269.04382	0.2
286.04446	0.1
287.05441	100.0
288.05774	3.2
299.05621	0.2
303.04953	0.4
311.05923	0.1
329.06293	0.2
353.06262	0.1
431.09378	0.1
431.18149	0.2
449.10696	5.4
450.10867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90587	0.7
69.08168	1.4
69.08562	5.1
73.04740	2.2
91.05792	4.2
163.03944	1.0
167.05544	0.9
195.61778	0.9
215.03075	4.1
239.09477	1.2
283.09381	6.5
286.01126	1.0
300.06326	0.9
303.74890	1.0
351.15625	100.0
352.16040	2.5
355.06836	1.5
356.07242	1.7
419.99591	1.1
598.55548	1.0
611.26086	65.2
612.26276	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	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.8
53.03942	3.1
53.51217	1.5
55.01854	2.9
55.05258	2.4
55.05505	28.0
56.96809	1.4
57.03426	7.7
57.07069	1.9
65.03918	4.2
67.05495	66.5
69.07059	20.1
75.04470	1.4
77.03938	2.5
79.05481	58.2
79.05943	3.4
79.83360	1.7
81.07048	67.2
83.04970	2.8
83.08598	8.3
85.06555	2.3
91.05462	58.2
93.07032	54.4
95.04961	9.9
95.08590	40.6
97.06532	2.6
97.10178	3.7
98.23490	3.2
99.08096	1.6
103.05434	3.6
105.04515	2.8
105.07014	53.9
107.08577	26.5
109.10136	18.6
115.05425	2.9
117.07000	21.5
119.06087	1.8
119.08561	39.5
121.10120	18.1
123.11688	4.6
128.06213	5.9
129.06993	17.0
130.07779	1.7
131.08545	31.5
133.10109	28.3
135.11684	13.1
141.07036	3.6
142.07796	5.0
143.08530	19.1
144.09332	3.3
145.10101	33.6
145.11227	2.5
147.11688	17.6
148.56982	1.5
149.13229	7.9
155.08536	8.3
156.09290	3.7
157.10095	15.9
159.11673	19.7
161.13231	12.2
163.14812	4.2
167.08585	2.1
169.10086	9.5
170.10863	2.1
171.11655	14.4
173.13258	10.4
175.14836	5.0
181.10068	4.1
183.11649	11.6
185.13191	10.8
187.14838	5.5
189.16350	2.6
190.48824	1.9
195.11740	2.0
197.13225	4.9
199.14839	6.5
201.16418	3.3
213.16397	5.1
215.18060	3.2
223.14778	1.9
225.16350	2.2
227.18037	2.3
229.19485	1.9
230.20180	1.7
231.17345	1.6
231.21269	2.7
239.17839	3.3
241.19511	8.5
243.21170	2.3
255.46565	1.6
257.18997	4.4
259.20535	16.9
261.22192	3.6
264.56076	1.5
271.20532	1.7
299.23749	2.2
311.23596	2.2
333.24084	14.4
335.25797	19.6
337.27420	2.0
383.29572	1.9
519.41699	9.1
529.38745	2.2
537.42877	4.1
541.38501	3.0
593.45544	10.8
611.46576	100.0
612.46991	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	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	4.1
51.74299	4.4
55.05493	18.3
57.03431	8.3
65.03945	4.4
67.05504	42.3
69.07044	12.4
73.04749	6.5
79.05484	34.5
81.07050	35.4
83.08591	7.3
91.05396	23.1
92.55712	3.9
93.07031	39.7
95.08601	32.8
103.27690	4.5
105.07022	28.7
107.08572	11.6
109.10156	12.1
117.06982	12.7
119.08555	22.3
121.10128	14.2
123.11668	5.5
129.06990	7.1
131.08511	17.6
133.10123	15.7
135.11636	11.0
143.08537	6.2
145.10129	24.3
147.11665	18.4
149.13231	4.4
155.08537	4.3
157.10106	8.9
159.11644	19.4
161.13242	12.7
171.11653	12.0
173.13254	8.2
185.13301	5.6
187.14760	5.0
199.14742	7.4
201.16422	5.6
213.16379	6.5
241.19556	6.8
248.84526	4.2
257.18994	5.9
259.20523	17.8
266.83157	4.8
333.24112	10.7
335.25772	10.1
355.07001	7.2
356.06982	7.0
357.06750	6.3
537.43262	6.1
593.45215	9.0
611.46631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.5
57.03424	4.4
61.57762	3.3
65.52003	2.7
67.05492	40.0
69.07056	14.7
69.13171	6.6
69.13581	10.6
73.04751	5.0
79.05480	36.9
81.07046	54.9
83.08627	11.5
85.06538	3.1
91.05427	36.2
93.07029	43.7
95.04992	4.9
95.08591	32.0
97.06547	3.3
97.10193	3.9
98.23495	5.9
104.85022	2.8
105.07012	29.9
107.08584	21.6
109.10164	14.0
117.06992	16.2
119.08544	29.4
121.10133	18.9
123.11680	4.6
129.07007	9.5
131.08531	22.9
133.10107	23.5
135.11694	10.4
141.06992	4.5
142.86461	2.6
143.08554	12.6
145.10104	20.5
147.11667	16.9
149.13277	7.1
155.08574	4.5
157.10130	12.0
159.11644	19.1
161.13261	10.5
169.10184	7.9
171.11691	13.1
173.13286	8.6
175.14926	3.4
183.11699	3.9
185.13260	7.8
187.14876	6.5
197.13264	3.3
199.14859	7.1
201.16281	5.8
213.16286	4.5
239.18150	3.7
241.19511	6.1
259.20447	16.6
261.21973	4.6
275.20090	3.3
278.23257	2.8
333.24170	8.3
335.25787	17.5
348.04276	3.1
353.28180	3.4
355.06885	3.0
356.07242	4.7
393.20154	3.8
397.01599	2.8
435.20932	3.6
449.33841	3.5
463.20547	3.7
477.22040	9.0
478.22406	4.9
487.23938	8.1
491.23734	4.8
515.23370	4.0
519.41840	5.5
533.24677	10.6
561.23560	5.3
593.26489	31.3
593.45807	9.0
611.27545	83.0
611.46570	100.0
612.47064	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	613.2276
Annotation	C11830
Peak:m/z	Relative Intensity
51.02407	1.1
53.03950	1.1
55.01864	1.7
57.19783	1.0
60.64825	0.9
65.03933	24.4
67.05503	3.2
69.03468	1.0
71.42357	1.1
71.84741	0.9
79.05489	1.9
82.04194	5.7
85.02900	3.4
91.05479	3.0
93.03386	9.2
95.01321	2.6
95.04949	5.6
97.06526	2.3
103.05432	1.1
105.03400	2.2
105.04502	1.3
105.07020	2.4
107.04958	3.7
108.02089	1.7
109.06474	1.4
110.03646	21.8
111.04433	27.6
115.05486	2.1
117.07018	1.6
119.04972	1.7
121.02843	14.6
121.03716	1.5
123.04409	1.8
125.05972	26.6
131.04901	1.2
133.02861	2.9
133.06487	2.2
137.05971	7.1
138.03085	2.5
145.06499	3.3
146.07246	1.4
147.04367	1.9
147.08043	1.6
149.05977	1.4
151.03903	2.7
151.07520	4.0
153.05444	100.0
154.05792	1.8
155.07088	1.3
159.08054	4.1
161.05974	4.5
165.05484	5.4
165.06984	2.8
167.07010	7.7
171.06488	2.5
173.05981	1.0
175.07501	5.4
176.08109	1.2
177.05452	2.5
179.07082	1.9
179.08583	1.9
180.07857	2.0
181.03294	2.0
181.04933	32.4
181.06409	2.5
187.07530	2.4
189.05428	1.7
189.06987	1.1
190.07780	1.8
191.08536	2.2
193.04941	4.2
194.07336	2.8
195.08043	3.0
195.77805	1.1
195.89090	1.1
196.45546	1.0
197.08009	1.3
197.09676	2.4
203.08641	1.3
205.06418	1.3
207.06421	2.5
207.08054	2.4
208.07303	4.2
208.09009	1.4
209.09694	1.7
210.06688	1.6
211.07484	2.5
216.07800	3.3
217.08524	1.6
218.07254	1.4
219.08017	4.7
220.08986	2.4
221.05894	1.4
221.09489	1.4
222.06584	1.7
223.07530	3.3
224.08374	1.7
225.07240	5.1
225.09224	3.9
226.06180	3.2
226.08209	1.8
229.08627	1.7
234.06888	1.5
235.07510	2.1
236.08302	3.6
237.09106	3.2
238.06271	1.4
239.06950	6.1
239.10675	2.1
247.07471	1.9
247.09651	12.5
248.08122	1.6
249.09044	2.6
251.06947	3.4
251.10794	4.0
252.07693	1.6
253.08528	11.5
254.09253	5.8
261.09137	1.7
262.09500	1.2
263.07043	1.9
264.07855	4.0
265.08542	4.4
266.09207	2.2
267.10153	4.1
269.09128	1.2
269.11633	6.4
277.08572	2.0
279.10242	3.4
281.08105	1.8
282.08820	2.5
283.09396	2.2
291.09549	1.1
293.07990	1.8
294.08978	1.7
295.09592	2.6
296.10278	1.2
297.11163	9.4
301.07098	1.4
307.09552	6.9
308.10318	1.5
309.11105	1.3
311.09192	1.5
319.09808	3.2
325.10629	48.8
326.11517	2.3
327.12140	2.5
329.13757	1.8
337.10669	2.1
339.12204	25.7
340.12924	1.1
341.13937	2.2
342.10928	1.4
351.12277	6.1
352.12686	1.5
355.11920	2.3
357.13278	48.8
358.13620	1.8
369.13275	3.9
370.14194	3.0
387.14081	1.6
634.01990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2278
Annotation	C11830
Peak:m/z	Relative Intensity
50.68736	0.8
55.01862	1.2
59.28684	0.8
62.61248	0.8
65.03933	5.1
67.05484	1.0
69.03421	1.3
70.06609	1.0
71.41402	1.1
71.67836	0.8
78.04702	4.0
79.05501	1.8
81.03426	2.2
81.07063	1.1
82.04189	1.1
85.02897	2.0
91.05421	4.7
95.04955	2.7
97.02882	1.0
103.05466	1.6
103.43729	0.8
106.04175	2.2
107.04938	2.4
108.02126	1.5
111.04447	1.4
115.05471	4.6
117.07008	8.5
119.04935	3.4
121.02856	26.8
122.03619	1.2
123.04426	8.5
124.05202	2.9
125.05940	1.8
127.05428	1.9
131.04906	1.9
133.02786	1.0
134.03694	0.8
135.04362	1.2
137.05966	10.6
139.03922	2.4
143.04942	1.1
145.06480	12.2
147.04431	4.1
148.05191	1.2
149.05991	1.2
151.03867	5.2
151.07561	2.3
152.04695	1.9
153.05458	4.0
155.06055	6.4
161.05995	2.6
163.07516	1.7
167.07024	100.0
168.07448	2.6
171.06548	2.7
173.05960	20.8
175.07539	2.1
177.05501	2.0
181.04936	31.1
191.07010	6.4
193.10226	1.0
195.50340	0.9
203.07004	1.8
205.08551	5.1
233.08058	4.8
235.09621	5.8
239.07315	1.1
265.07114	1.3
266.37845	0.9
272.09576	0.9
279.10010	1.4
290.67734	0.9
307.09805	0.9
315.12592	0.9
324.75085	0.9
325.10684	1.7
328.23669	1.1
357.13232	4.3
385.12753	19.4
387.14413	6.4
417.15448	12.8
523.11908	1.1
566.39148	1.1
583.21552	2.7
613.22742	34.6
613.32697	1.9
614.23279	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2648
Annotation	Karajinone B
Peak:m/z	Relative Intensity
50.41590	1.9
50.83728	1.6
67.05520	1.6
67.36661	1.7
70.00036	3.3
70.00367	2.1
78.44601	1.7
91.05817	1.9
93.07045	3.8
95.08627	2.1
97.59289	1.8
107.63470	1.8
110.92307	1.8
111.07034	1.7
122.06020	2.2
127.39503	1.9
136.07567	3.5
138.09189	2.1
174.09131	9.4
187.12332	3.4
188.10736	5.0
196.09859	2.1
212.09352	2.2
213.10385	2.5
215.11836	4.0
223.08559	2.5
224.09303	3.1
225.10265	4.0
227.11797	5.6
235.08858	2.3
237.48698	2.0
241.13373	5.5
243.11250	24.5
249.10274	3.6
251.11787	3.1
253.09657	3.8
267.11270	6.8
269.12839	5.9
277.09647	2.1
279.11490	2.1
285.57889	2.1
287.13971	4.3
295.10840	4.9
311.14017	3.2
314.13272	2.1
327.13513	8.2
330.12405	2.4
330.16220	2.7
342.12271	4.4
343.13290	4.2
344.13922	4.2
346.15598	2.3
348.13376	4.6
356.14102	3.3
357.06793	2.4
357.14676	4.6
358.15503	6.0
360.17029	2.5
370.15671	4.1
372.17047	5.9
374.18665	2.5
380.90613	2.1
409.97852	2.0
418.17947	3.4
422.16983	3.1
450.21478	2.3
465.18463	10.7
475.21097	2.1
478.19910	3.4
479.20844	7.8
480.21732	4.9
489.23123	3.0
490.19992	7.0
491.20258	3.1
492.21368	3.1
493.22565	2.8
507.24304	5.0
535.23175	15.2
553.24396	82.3
554.24780	6.9
563.23138	4.4
581.23853	59.5
581.33453	2.4
582.23950	3.5
613.26434	100.0
614.26788	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	613.2653
Annotation	Karajinone B
Peak:m/z	Relative Intensity
51.22211	0.9
52.26134	0.9
54.65036	0.8
55.05509	1.1
67.05504	1.3
69.07059	1.3
79.05479	2.6
81.07056	3.0
91.05424	1.6
93.05466	0.8
93.07011	2.4
95.04948	1.2
95.08585	1.2
103.45917	0.8
105.07012	1.1
105.31462	1.0
107.08598	2.4
109.06511	1.3
119.08597	1.1
121.10150	2.0
131.08614	1.4
133.10156	1.4
145.10138	2.0
153.57622	1.0
155.08499	1.0
157.10141	1.1
167.10667	1.4
169.10281	0.9
221.15353	1.4
247.69942	1.0
295.14960	0.9
351.12024	1.2
365.13919	1.8
367.19315	2.6
379.15283	1.1
381.17151	2.7
383.18994	1.3
394.17896	1.3
395.18674	3.5
396.19299	4.5
397.20261	1.7
408.19437	1.5
409.16290	2.2
409.20978	1.1
411.21988	2.0
421.20782	1.1
423.18198	4.1
424.19080	3.0
437.15335	1.7
438.20203	2.3
439.21365	5.5
449.19754	1.1
450.20493	1.4
451.17130	4.4
452.18353	2.1
453.18616	1.0
464.18634	1.3
466.20078	3.5
467.20911	2.8
479.20447	2.7
482.23148	2.1
493.22137	1.4
497.25317	2.2
510.22629	1.4
525.25024	10.2
538.22125	2.9
553.24390	19.1
554.24091	0.9
581.23663	1.5
595.25061	2.1
598.24670	1.0
613.26508	100.0
613.42426	2.8
614.26440	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	613.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96279	2.0
56.96555	36.3
61.61772	1.1
67.05494	1.7
69.17341	5.1
71.95259	1.2
81.07017	1.2
84.96018	3.6
91.05820	1.1
93.07006	2.4
98.91953	1.2
98.97565	73.5
105.07039	1.6
107.08562	1.5
110.97527	5.1
112.99110	24.3
115.97774	1.2
116.98603	41.5
119.08522	1.7
124.99092	1.9
128.98598	8.8
131.00150	44.6
131.14043	1.0
134.99626	14.2
140.00203	1.7
140.98555	2.2
143.00136	10.1
146.99573	5.0
149.01204	39.4
152.98560	1.3
154.01787	2.3
157.01714	1.6
158.99631	33.5
161.01187	11.7
167.02298	6.2
170.99649	2.9
172.02864	1.9
173.01208	7.2
175.02788	2.7
177.00690	42.5
179.02264	1.6
185.01195	4.2
189.00706	5.7
191.02171	6.6
195.01758	3.6
199.02768	8.7
200.02301	3.7
201.00812	1.2
203.02298	7.9
209.01225	1.9
214.04134	1.0
215.02287	4.1
215.17755	1.1
217.03802	6.5
219.01729	11.5
227.02248	2.6
233.03285	2.9
237.02777	6.8
239.09413	1.1
251.41838	1.2
255.03796	1.7
260.04184	1.1
275.04327	18.1
276.84326	1.0
293.05380	57.1
311.06461	11.8
316.07089	5.2
317.17819	100.0
318.18170	2.4
334.08237	2.6
335.18857	37.5
358.20514	8.1
359.19196	1.3
361.58426	1.2
377.20062	9.0
391.21503	3.0
497.24170	4.2
553.26740	64.0
554.26837	2.3
614.35974	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	613.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48512	0.7
56.96555	37.8
62.72492	0.8
70.83093	1.3
79.05483	1.6
84.96025	4.4
91.05798	1.4
95.08592	1.3
97.96795	1.8
98.97565	80.0
99.05537	1.2
102.97095	0.9
105.07011	2.0
110.97511	5.3
112.99107	24.3
112.99884	1.2
116.20107	0.9
116.98602	42.4
121.10158	1.4
124.99113	2.3
128.98593	6.7
131.00143	45.5
131.08514	1.3
133.98860	1.0
134.99631	15.4
140.00156	3.0
140.98599	2.7
143.00137	9.1
146.99614	5.0
149.01198	37.1
152.98540	1.3
154.01700	2.2
158.01228	0.9
158.99623	34.4
161.01181	9.2
162.99171	1.3
164.87140	0.8
167.02231	7.5
167.14511	0.8
170.99603	5.2
171.03389	1.2
172.02780	3.4
173.01199	7.1
175.02829	2.1
177.00676	44.3
179.02304	2.0
185.01202	3.8
189.00681	4.4
191.02202	7.2
195.01677	4.2
199.02766	10.1
200.02286	3.0
201.00642	1.0
203.02193	7.3
209.01205	3.5
215.02293	3.3
217.03857	6.0
219.01700	10.4
227.02213	3.1
227.09457	1.2
233.03307	3.0
237.02750	8.2
265.76880	1.0
275.04343	18.2
293.05371	53.7
311.06433	11.9
316.07053	4.3
317.17804	100.0
318.18204	3.6
334.07938	1.3
335.18854	37.6
336.19162	2.0
358.20496	7.5
377.19919	7.3
388.81772	0.9
391.21613	3.7
403.21344	2.4
497.24026	3.9
535.25067	1.2
553.26740	45.4
554.27136	2.8
567.93903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4815
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02365	2.0
51.34463	0.8
53.03938	4.1
55.01857	2.0
55.05504	33.8
57.03434	8.9
57.07066	6.5
65.03934	4.8
67.05495	94.0
68.05829	1.9
69.03414	1.6
69.07061	31.2
71.04994	2.6
71.35943	1.0
71.57156	0.9
77.03922	2.3
79.05481	59.7
81.07043	100.0
82.07389	1.3
83.04972	2.8
83.08602	13.5
85.06528	2.9
91.05468	56.8
93.07033	65.4
95.04948	11.2
95.08591	75.7
97.06543	4.5
97.10147	5.8
99.08092	1.2
103.05470	1.5
103.14359	0.8
105.04493	4.7
105.07018	50.4
105.53976	0.9
107.08579	41.6
109.06514	3.1
109.10143	28.3
111.08060	3.0
111.11713	1.4
115.05442	2.1
117.07008	20.7
119.06047	1.4
119.08563	43.6
121.10130	28.7
123.08096	1.2
123.11694	12.1
125.09614	2.3
128.06210	2.4
129.06989	10.9
130.07787	1.1
131.08553	33.1
133.10112	32.7
135.11670	18.7
137.09605	1.1
137.13269	3.3
141.06982	1.7
142.07730	1.4
143.08519	10.2
144.09399	1.5
145.10104	31.1
145.11212	2.1
147.11659	21.5
149.09569	1.5
149.13246	8.4
151.14793	1.5
155.08614	2.6
157.10129	8.5
159.11667	20.1
161.13226	13.1
163.14844	5.0
168.09311	1.1
169.10153	4.2
171.11687	9.9
173.13240	14.9
175.14748	5.5
177.16374	1.6
181.10132	2.7
183.11725	3.3
185.13214	7.4
187.14780	6.9
189.16397	3.3
197.13214	1.2
199.14745	5.3
201.16324	4.5
203.18002	1.9
205.15836	1.0
211.14810	1.0
213.16377	2.5
215.18001	2.3
217.19432	1.8
225.16478	1.0
227.18044	2.5
231.21165	1.2
233.19095	1.3
241.19528	4.0
243.21112	4.0
245.22603	1.3
251.92072	1.1
259.20544	10.0
261.22076	12.4
263.23596	1.6
273.22012	1.1
277.21878	0.9
283.24042	1.0
287.23584	1.2
295.22977	1.3
313.25302	1.9
315.23352	1.1
317.24765	2.7
327.26801	1.2
332.69827	1.1
333.24365	4.2
335.25757	20.0
335.29520	1.4
337.27438	8.5
341.28497	1.2
347.25876	1.8
369.31787	1.3
373.28027	1.1
489.35681	2.3
491.37878	1.1
503.36783	1.3
517.38947	1.7
521.43469	5.3
529.39056	1.8
531.41010	1.0
539.44391	3.4
543.39838	2.7
571.97675	1.0
577.46185	1.4
595.47150	9.8
613.48151	81.1
614.48480	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	614.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
61.69104	1.0
65.03932	3.7
67.05487	1.5
69.03424	1.2
69.75832	4.2
79.05495	10.3
81.03407	3.8
81.07045	2.0
82.04200	1.3
85.02896	4.1
91.05446	2.3
95.04949	4.0
97.06544	1.6
98.23470	1.4
103.08664	1.1
105.04438	1.3
107.04942	29.0
109.06501	1.3
110.03632	1.3
115.05454	3.1
117.07002	2.7
123.04395	1.5
124.05203	4.7
125.05989	3.4
129.07018	2.5
131.04939	1.9
131.08583	2.4
133.06458	2.7
137.05978	2.3
138.03133	2.2
141.07016	1.6
144.05685	2.7
145.06490	8.4
147.08011	1.3
151.07535	1.8
152.04652	3.2
153.05472	4.5
155.05998	2.6
156.05701	1.3
157.06514	4.4
159.08084	3.2
160.05302	1.1
161.06003	6.6
163.03925	1.4
163.07639	1.2
167.07030	100.0
168.07367	1.6
171.06522	4.4
172.05202	2.0
173.05919	6.9
174.06754	1.1
175.07578	2.1
179.06935	1.2
181.04942	86.0
185.06006	2.1
187.07512	8.9
189.05496	2.4
190.06184	2.4
195.06371	2.4
197.43849	1.1
201.05464	7.3
203.06985	2.2
205.08604	6.4
206.05768	1.6
213.05478	2.0
217.08633	2.1
218.05785	4.2
219.06496	4.3
219.10069	5.5
221.07996	6.4
233.08070	37.1
235.07368	2.5
235.09647	26.9
245.08054	3.1
251.09103	16.1
263.06940	1.7
263.09201	10.9
281.10205	5.7
293.08026	1.6
295.09689	2.1
305.08176	1.0
323.09143	1.6
331.08005	1.9
335.09302	1.3
339.12338	2.4
352.09131	1.5
353.10019	1.6
355.11707	3.9
367.11819	1.9
371.14801	1.5
381.13495	1.5
387.14386	7.2
399.14386	9.9
417.15417	72.1
418.15814	2.1
435.16330	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	614.28
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84234	3.8
79.05448	1.2
81.03416	1.2
85.02883	3.8
91.05476	4.6
94.04163	1.5
95.04957	1.2
97.02888	2.6
98.22750	1.6
100.11250	1.2
103.05468	5.7
105.03395	5.4
105.07041	1.2
107.04980	1.9
109.06474	1.1
115.05524	1.0
117.07024	2.1
119.04942	3.9
121.06550	1.3
122.03654	1.7
123.04372	1.3
127.03929	1.1
129.06985	2.2
131.04907	11.8
131.08577	1.5
134.82591	1.1
135.07964	1.6
137.05962	37.3
138.06329	1.0
145.06473	2.5
147.04388	1.6
149.05991	1.5
151.07529	20.7
157.06453	3.0
159.07953	1.3
161.05936	4.1
162.06685	2.3
163.07518	33.5
165.09048	1.9
167.08568	1.8
171.08109	1.4
175.07527	5.2
177.09087	100.0
178.09395	1.2
189.09093	7.2
193.06326	1.5
195.08066	2.5
195.10133	2.1
207.10179	1.7
211.09604	2.7
221.05875	1.6
221.09676	1.6
221.11676	17.6
223.07663	1.7
227.10594	3.9
237.09099	1.9
237.11208	9.9
253.08536	3.0
253.12216	2.3
255.10161	3.9
263.09149	3.5
285.11151	2.8
286.11890	1.3
287.12741	7.1
299.12701	1.4
313.14398	8.5
325.14319	1.7
330.14722	5.4
331.15363	8.5
342.14545	3.1
405.18976	19.2
419.20392	1.5
614.22076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.8
65.03947	0.8
65.83733	0.6
66.18438	0.7
67.05495	0.8
69.03419	1.3
79.05500	0.8
81.03391	0.9
81.07030	1.8
85.02898	2.5
85.06510	0.8
86.09754	0.7
91.05472	5.1
93.07043	0.8
94.04173	0.8
95.04952	1.7
97.02877	1.9
103.05454	5.8
105.03371	1.9
105.07025	1.4
107.04950	2.4
109.02841	1.8
109.06489	1.6
109.10143	0.9
111.08190	0.6
115.05406	1.1
117.06997	2.0
119.04922	3.9
121.06481	2.7
121.10101	0.6
122.03657	2.1
122.16452	0.6
123.04420	1.3
123.08083	0.8
123.11739	1.2
125.06003	0.6
127.03890	1.9
127.11174	1.1
128.06163	0.7
129.07005	2.6
131.04903	12.4
133.06448	0.9
135.08015	1.8
137.05962	36.3
143.08537	0.8
144.05745	0.8
145.06464	0.9
147.08014	0.9
149.05960	2.1
151.07526	22.2
157.06458	2.8
159.08025	1.0
161.05962	4.7
162.06694	2.1
163.07532	33.4
165.09091	0.8
167.07063	2.4
167.08522	1.6
169.12231	0.9
171.08031	1.0
174.06702	1.3
175.07518	4.7
177.09087	100.0
178.09419	2.5
179.06970	0.8
181.04910	2.2
187.07544	1.3
189.09111	6.2
195.08047	2.9
195.10138	2.2
201.09038	1.0
203.10718	1.0
211.09596	1.6
219.10007	1.0
221.05969	1.4
221.09656	1.8
221.11697	17.9
223.07530	1.3
225.09058	1.4
227.10657	5.0
233.07846	0.8
233.09860	0.9
237.11205	8.2
240.07692	1.0
249.09195	1.3
253.08588	3.4
253.12195	2.3
255.10020	4.7
259.12943	0.7
265.08469	0.7
267.10083	1.1
269.11917	0.7
272.10364	1.5
281.11557	1.4
285.11252	4.5
287.12787	5.0
297.11212	0.7
299.12701	1.5
311.12848	1.0
313.14355	8.3
327.12238	1.3
328.13159	0.8
330.14563	4.2
331.15399	8.8
332.15424	1.1
341.13544	0.7
342.14615	3.4
343.15369	1.0
351.15698	0.7
369.16840	0.9
387.18048	0.9
405.19073	25.1
406.19333	1.3
417.15302	1.1
567.98633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3316
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
56.05051	1.7
56.91726	1.2
58.06586	3.5
58.26976	1.0
67.05470	1.8
70.56967	2.0
71.04973	2.6
72.08150	2.3
75.04461	4.3
79.05465	2.6
85.02908	1.2
91.05449	1.8
103.05470	2.0
105.03384	4.0
105.07047	3.3
109.06474	1.4
111.08070	2.7
115.05471	2.3
117.07012	1.5
121.06530	2.4
129.07001	2.7
135.08049	3.7
135.94479	1.2
138.09100	1.1
143.08633	1.6
147.08020	2.1
152.10652	1.3
155.08560	2.0
156.12462	1.2
165.06987	1.1
167.08519	1.6
177.09113	1.8
182.72679	1.3
189.00072	1.1
193.10129	1.9
197.09756	1.4
203.08566	2.7
204.09348	1.7
205.10136	2.7
216.09322	1.5
217.10132	1.6
228.09201	1.2
229.10068	2.5
366.21118	1.2
387.04172	1.3
396.21689	2.1
405.05096	1.9
410.23300	2.0
416.24185	1.9
428.24359	4.6
442.25876	9.9
460.26953	10.4
474.28738	1.4
491.22052	1.4
492.29495	25.9
493.29733	1.4
546.82336	1.4
602.03723	1.2
614.33118	100.0
615.33551	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	614.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.9
57.07067	51.9
67.50676	0.8
69.07059	8.7
69.32256	5.4
71.08618	50.7
73.06547	5.9
83.08619	3.4
85.10168	33.4
87.04451	8.1
89.06017	100.0
93.07011	1.1
95.08585	1.2
97.10157	2.7
98.23426	1.9
99.11722	6.0
105.07027	1.0
107.07060	3.9
107.61611	1.0
111.11677	5.3
113.13240	6.4
117.09106	7.0
119.08639	1.4
121.10221	1.4
124.93784	1.2
125.13329	1.6
127.14801	4.6
130.08643	2.2
131.07065	2.1
133.08583	73.8
149.48531	1.0
161.11702	1.1
170.70044	1.0
175.09679	2.3
177.11185	28.3
183.21077	2.0
198.97430	7.8
209.05478	1.0
221.13789	6.3
227.23726	1.5
239.14850	1.5
260.94608	1.0
265.16348	1.6
267.17221	1.0
271.26266	3.6
283.17499	2.4
311.77078	1.2
315.28940	2.7
327.20117	1.5
371.22754	1.6
415.25363	6.2
529.25031	6.3
553.42554	1.1
597.45801	7.6
614.48260	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	615.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	10.1
65.03930	9.5
67.05501	25.6
69.03410	17.9
69.07063	16.5
70.06573	7.3
71.05000	7.6
71.42863	7.3
79.05482	26.2
81.07039	34.2
83.04975	14.8
83.08617	11.2
88.07662	8.1
91.05489	25.7
93.07050	43.2
93.07544	6.0
95.04954	29.0
95.08611	22.7
97.06522	8.4
101.41629	6.3
101.74763	6.5
105.07011	44.6
107.08571	39.4
109.06514	25.1
109.10163	20.8
117.07052	12.9
119.08573	34.3
121.06537	14.3
121.10132	61.8
123.08059	22.4
125.09623	14.0
129.07011	14.8
131.08560	31.8
133.10144	21.8
135.08055	22.4
137.09645	10.1
142.07793	6.6
143.08562	21.4
145.10129	37.9
147.08058	21.5
147.11691	15.6
149.02296	20.8
149.09618	16.0
151.07509	34.9
155.08607	15.4
156.09337	9.6
157.10086	35.8
157.49023	6.6
159.08061	19.4
159.11713	23.3
161.09540	16.0
163.11127	15.2
165.09111	17.1
167.10657	71.6
169.10144	9.3
171.11702	17.0
173.09601	21.0
173.13216	11.1
175.11162	8.2
181.12256	21.8
183.11697	13.8
185.13356	11.0
187.14786	8.8
189.12732	16.7
192.09332	8.2
193.04933	21.1
195.11714	16.4
196.12431	8.5
197.13248	12.0
199.11079	8.5
201.12674	8.1
203.14368	10.1
207.11702	8.1
207.13625	17.8
209.13231	12.5
211.14722	9.1
215.14323	24.4
221.13385	11.9
221.15370	35.7
229.16010	7.6
233.13283	13.3
233.15308	100.0
235.14787	7.3
256.26321	13.0
257.26645	14.3
264.67654	6.7
275.17911	7.6
285.18768	7.4
299.20120	7.2
311.19937	11.2
363.22952	10.9
381.24197	11.2
385.09207	15.7
386.09528	15.3
407.25809	13.4
500.38733	7.3
597.39307	18.0
615.32819	35.6
615.41675	74.8
616.17413	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	615.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76472	0.7
55.05511	1.5
58.99849	2.5
61.21122	0.8
67.05487	2.1
69.07061	1.8
74.42264	0.7
77.00897	12.3
79.05500	1.0
81.07050	3.0
83.08627	1.8
93.07063	1.0
95.01936	9.0
95.08595	1.9
97.10163	1.0
100.02452	0.8
105.76736	0.8
107.08607	0.8
116.16994	0.8
131.01897	1.9
133.03484	0.8
149.02943	0.8
169.10751	1.0
173.06636	0.9
180.94052	0.8
191.11296	1.4
197.10249	2.5
197.13896	0.9
205.04877	0.8
215.11287	9.7
223.11795	5.0
227.11244	1.7
227.14851	0.9
229.12764	4.2
233.12291	1.7
235.11842	1.5
237.13329	4.0
239.11159	0.8
241.12846	9.4
243.14447	3.1
247.13733	1.0
253.12836	11.0
255.14352	7.6
256.06702	0.7
257.15991	1.0
261.15210	0.9
271.13889	6.4
272.14145	0.8
289.20126	1.1
301.20029	1.9
302.33731	0.7
307.21176	6.9
317.19824	1.5
319.17239	1.3
319.21091	22.6
320.21228	1.6
325.22125	8.1
337.22183	100.0
338.22424	5.2
355.23218	26.8
356.23752	1.3
360.23691	9.0
360.27686	1.1
361.24042	0.8
378.24878	2.2
386.79797	0.8
412.65344	0.8
531.35187	2.2
615.44635	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	616.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40263	0.3
53.95552	0.3
65.61774	0.4
67.05492	0.4
69.07071	0.5
78.04692	1.2
79.05491	1.1
80.18774	0.4
80.27943	0.4
81.07059	1.0
85.02863	0.4
91.05479	0.9
95.04942	0.6
103.62590	0.5
106.04128	1.2
107.04925	1.4
117.60331	0.5
121.06487	1.0
122.03625	0.6
123.04431	3.5
124.05203	1.7
129.06841	0.5
130.04997	0.7
133.06496	0.6
137.05940	1.0
147.04359	0.6
147.07654	1.3
149.05992	0.5
151.03859	0.5
151.07486	0.6
152.04646	0.7
159.07967	0.6
161.05951	1.0
167.07013	100.0
168.07353	2.1
175.07533	1.5
179.07018	1.3
181.08559	1.8
187.07520	0.7
191.07056	0.9
193.08600	3.8
194.08498	0.4
211.09644	6.8
223.09764	0.5
281.11743	0.6
341.13766	1.5
359.14774	0.9
450.71796	0.4
464.00607	0.5
616.23535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.1
56.96564	4.6
58.06574	1.3
60.08165	7.1
66.22302	0.6
67.05489	1.2
69.24561	0.7
69.85571	1.3
69.85900	0.9
71.07372	6.8
72.08154	1.1
79.05499	0.6
81.07036	1.1
86.09705	22.3
95.08595	0.9
101.98820	0.6
102.92599	1.6
104.10738	100.0
105.11090	0.9
110.97626	0.6
111.99675	0.6
115.97841	0.7
118.92097	0.8
120.93610	0.6
125.00005	1.7
128.98621	1.3
136.93112	2.3
154.94124	4.6
154.95128	0.6
162.94658	1.3
172.95235	5.8
180.95695	5.0
190.96294	2.9
198.96800	21.2
205.04958	1.8
206.05267	0.7
207.06622	1.1
210.96751	1.7
216.97855	12.5
221.98299	1.1
228.97899	2.9
240.09941	1.6
254.99438	2.0
282.04129	1.3
283.01749	1.3
283.39523	0.9
305.14175	0.8
314.06866	0.9
317.17862	26.6
335.18900	11.1
358.20441	2.3
373.20856	1.8
437.17645	2.7
441.17120	1.2
453.17117	1.6
471.18228	4.2
497.19925	5.6
500.24451	10.7
556.27081	17.5
616.18152	1.6
616.29028	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	616.3112
Annotation	Hypaconitine
Peak:m/z	Relative Intensity
53.03941	1.9
53.34934	1.4
58.06582	1.8
70.09496	3.3
88.07640	2.4
91.05503	1.4
94.06555	2.4
95.04959	7.6
105.03382	46.9
105.04478	3.1
113.31403	1.3
117.07011	1.7
120.08104	1.7
143.08545	1.5
146.03636	1.7
147.04404	1.9
160.07564	1.5
167.07043	1.4
167.08717	1.4
207.11671	1.9
263.10831	2.4
271.06122	1.5
338.17419	15.7
342.20685	5.5
464.24564	4.2
492.24106	3.7
496.26730	3.3
524.26251	11.3
556.29059	15.2
584.28589	2.3
608.33411	1.6
616.31061	100.0
617.22357	2.0
617.30914	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	616.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.7
57.07076	26.3
69.07059	2.7
69.69434	3.6
69.69823	3.7
71.08628	23.2
73.06544	9.6
83.08623	3.2
85.10181	23.1
87.04438	8.3
89.06026	100.0
95.28275	1.8
97.10200	1.5
99.11726	4.4
107.07066	5.1
117.09123	7.7
117.24877	1.5
131.07004	2.2
133.08591	48.6
141.16376	4.5
160.10899	1.5
175.09708	2.2
177.11201	21.7
185.19019	7.0
205.05034	2.6
221.13821	2.5
229.21658	6.9
273.24374	2.7
283.17355	2.9
284.50278	1.6
300.19113	1.9
423.32578	1.8
496.15656	1.8
599.43188	3.4
616.46088	2.6
632.00916	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	617.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03971	16.9
51.30737	17.7
60.45115	16.8
61.25603	16.4
61.27395	18.8
70.06583	38.4
83.15571	16.9
94.93031	100.0
116.07047	27.0
127.03890	27.6
129.39227	19.5
136.93979	99.8
139.03879	20.1
163.03816	20.3
208.97238	81.1
210.94180	19.1
248.89734	93.6
446.02295	48.6
447.01981	24.1
617.10358	55.4
617.14758	37.7
617.17603	29.8
620.77142	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	617.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
67.05455	0.6
68.99781	0.4
69.03419	0.7
69.07005	0.5
70.00095	0.6
70.00413	0.4
71.04964	0.3
75.35919	0.3
79.05463	0.8
81.03384	0.5
81.07027	1.1
85.02879	1.2
93.03374	0.4
93.07034	0.5
95.08572	0.6
97.02857	0.5
98.22719	0.5
102.01582	0.4
109.02849	0.6
109.10106	1.6
109.36416	0.4
111.04405	0.9
127.03920	3.0
131.04861	0.5
135.04362	1.6
135.07991	0.5
137.02307	0.5
137.06000	0.4
137.09616	2.0
138.09912	0.5
139.03871	2.5
141.05434	1.3
145.04993	0.4
147.04358	0.5
151.03842	0.5
153.01802	4.8
153.05531	0.7
155.03372	6.6
155.27950	0.4
163.07538	0.7
165.09100	1.9
167.06989	1.2
169.04964	1.6
170.05724	25.7
171.02844	0.6
171.06465	1.4
177.05406	0.5
179.03302	0.4
191.03343	0.5
191.06982	0.5
203.03334	0.5
210.08727	0.5
229.04895	0.8
252.42590	0.5
253.04898	0.4
257.04425	6.9
257.13818	3.1
258.05164	6.8
258.14105	0.6
259.06012	0.7
269.04507	0.8
271.05936	5.6
284.35736	0.4
285.03949	0.8
286.04669	11.9
287.05457	100.0
288.05765	2.1
340.09195	0.4
362.04214	1.0
363.04837	0.4
371.11148	0.6
377.06503	1.5
394.07068	0.5
423.07016	2.2
437.08588	7.2
449.10596	2.0
455.09677	18.1
617.14856	26.1
617.23956	0.9
618.15198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80836	9.1
55.05504	32.6
57.07077	13.9
58.97627	10.9
65.03943	15.6
67.05510	39.2
69.03426	21.0
69.07063	22.1
71.44659	9.8
79.05480	48.2
79.53479	11.2
81.07065	48.1
83.04990	21.5
83.08611	13.3
84.24934	10.2
87.04485	14.3
91.05461	65.8
93.07033	99.3
95.04987	37.7
95.08592	48.8
97.06531	23.1
105.07021	100.0
106.34119	9.8
107.08570	79.9
109.06501	33.5
109.10150	35.5
114.50761	9.6
117.06993	26.0
119.08570	73.8
121.06438	10.0
121.10127	92.7
123.08067	26.5
125.05984	29.9
125.09649	18.2
128.06195	21.5
129.07030	33.1
131.08496	48.5
131.17200	10.1
133.06471	19.2
133.10130	51.1
135.08046	16.9
137.09659	15.8
141.07056	11.7
142.07790	27.1
143.08562	38.6
144.09407	15.3
145.10097	60.4
147.08044	26.7
147.11700	20.6
149.09604	27.2
151.07567	23.4
151.60330	9.7
155.08521	25.3
156.09344	24.4
157.10088	58.0
159.08057	16.7
159.11670	30.0
163.11176	29.9
165.09077	11.3
167.08562	14.0
167.10667	82.1
169.10161	28.6
171.11644	23.6
173.13275	23.0
175.11180	12.6
179.08621	13.1
181.10120	11.4
181.12173	16.2
183.11700	27.2
185.13286	11.6
189.12691	17.5
193.10147	14.4
195.11717	19.9
197.13260	26.6
199.14839	15.8
209.13283	12.3
211.14850	11.5
213.12692	11.8
218.10979	10.0
221.13376	21.1
221.15419	21.8
223.14941	11.3
225.16278	14.3
233.15421	33.1
293.18939	11.4
516.33820	10.3
519.76611	14.7
599.41052	18.3
617.42230	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03429	0.3
61.61267	0.2
63.02364	0.3
69.03406	1.5
70.06587	0.3
70.20823	0.2
70.26302	0.6
72.08157	0.2
73.02858	0.3
79.05473	0.6
81.03399	1.1
85.02908	1.5
86.09688	0.4
87.04440	0.4
89.03899	3.2
95.04949	0.5
97.02879	5.7
99.04419	0.5
107.04953	1.1
109.02854	0.9
110.07051	0.2
115.03108	0.4
115.03918	7.0
117.03363	4.5
121.06441	0.3
127.03889	1.0
133.02824	0.3
133.04988	0.4
135.04393	11.2
136.56000	0.2
137.99731	0.2
145.02831	8.8
163.03880	100.0
164.04213	1.8
173.06001	0.2
181.04903	0.3
193.04872	0.2
194.57033	0.2
201.05437	0.3
211.06001	0.9
215.07007	1.1
241.06755	0.2
259.07935	0.6
277.09152	0.8
307.08008	0.5
325.08978	0.4
363.08499	0.7
372.94809	0.2
409.09171	0.4
421.11075	0.8
439.06537	0.3
439.12283	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	618.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
54.40173	0.9
55.01869	2.9
59.65331	1.0
65.03919	1.3
67.05499	1.2
69.03423	2.4
69.11971	5.2
69.49784	1.1
70.06586	1.3
72.04870	1.0
78.04712	1.4
79.05486	7.5
81.03407	1.3
83.38576	1.1
84.08083	1.0
85.02901	3.6
89.06092	1.0
91.05468	8.4
93.03401	4.5
93.07043	2.8
95.04948	4.9
95.12043	0.9
97.02878	1.9
97.06561	1.4
102.93282	1.1
103.05454	5.8
105.07017	23.6
106.04166	6.8
107.04949	6.7
108.05730	2.2
115.03883	2.2
115.05425	1.4
117.03397	1.2
118.04150	6.1
119.04931	3.5
120.05727	1.8
121.02859	2.9
121.06482	10.9
122.07298	1.3
123.04403	1.8
123.08047	1.4
125.05991	3.7
127.03916	1.6
128.32533	1.0
131.04944	2.3
133.06476	23.9
135.04424	4.4
135.08075	4.3
137.05951	8.4
144.06714	1.1
147.04337	1.5
148.05223	1.5
149.05963	18.8
150.06731	14.2
151.07526	5.0
153.09081	4.5
161.05940	6.2
163.03864	7.3
163.07494	2.9
164.07085	1.4
164.10713	1.3
165.09103	15.6
166.06180	1.1
167.07007	17.7
177.05432	8.8
178.06255	2.2
179.07045	4.1
181.08580	9.9
191.07001	2.9
192.10138	1.6
193.08574	69.1
195.10097	3.2
209.08060	57.8
211.09621	100.0
212.10005	1.2
229.26991	1.0
255.11198	2.9
265.11780	2.0
293.78445	1.0
297.12262	1.2
315.13364	19.5
324.40799	1.0
371.14749	1.1
403.17496	1.5
439.84641	1.1
456.21039	1.8
604.88501	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.2
56.05873	0.8
57.03437	1.0
65.03944	1.0
67.05484	1.2
69.03411	2.2
69.28610	3.1
70.06573	1.6
71.04992	0.9
75.04464	1.4
78.04719	1.0
79.05492	5.8
79.54422	0.8
81.03416	1.5
85.02892	3.8
88.63987	0.8
89.03863	1.0
91.05453	7.4
93.03383	4.5
93.07034	2.8
95.04931	3.8
97.02884	1.9
97.06514	1.5
103.05456	5.9
105.07014	21.5
105.07710	1.2
106.04163	6.5
107.04944	6.7
108.05727	1.6
108.46151	1.0
109.06512	2.9
111.04474	1.0
115.03923	2.3
115.05447	2.0
118.04143	5.4
119.04926	3.4
120.05720	1.3
121.02835	3.4
121.06484	11.9
121.07317	1.1
122.07295	1.9
123.04412	1.2
123.08041	2.7
124.05155	2.1
125.05976	3.7
131.04915	2.8
132.05801	0.9
133.06468	22.3
134.03645	1.2
134.07237	0.8
135.04416	3.4
135.08044	5.9
136.07555	2.4
136.25867	0.8
137.05948	8.0
145.08582	1.8
146.03606	1.1
147.04356	1.5
148.05202	2.1
148.07658	1.0
149.05957	19.1
150.05574	1.6
150.06725	12.2
151.07529	4.9
153.05377	1.1
153.09073	3.8
161.05934	5.5
163.03888	6.1
163.07523	5.1
164.07014	1.7
164.10735	1.2
165.09068	14.5
167.07022	15.9
177.05455	10.4
178.06229	1.2
179.07005	2.7
181.08562	10.1
193.08575	68.9
194.08952	1.3
195.06566	2.0
195.10106	3.8
209.08060	59.4
210.08475	1.7
211.09619	100.0
212.09984	1.7
225.10118	0.9
255.11252	3.7
265.11798	2.1
297.12289	1.2
301.08020	0.9
315.13345	21.3
391.17105	2.1
403.17191	1.3
456.21030	1.7
496.51868	0.9
618.28027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09013	0.4
50.12077	0.4
51.96272	0.4
55.05503	4.2
56.96550	3.2
57.07063	0.5
58.06583	0.9
60.07912	0.6
60.08152	7.2
62.92152	0.5
65.11648	0.5
67.05502	3.4
69.07036	1.2
69.22065	2.5
70.08783	0.5
71.04963	0.5
71.07355	3.4
79.05464	3.0
79.29977	0.6
81.07037	4.9
83.04959	1.7
83.08602	4.5
86.09687	13.5
91.05464	3.7
91.83872	0.4
93.07021	4.6
95.04945	2.9
95.08585	3.1
97.06513	1.8
98.22702	1.0
102.92596	0.8
104.10721	100.0
105.07000	6.3
105.11089	0.9
107.04958	0.5
107.08563	5.8
109.06483	1.5
109.10139	2.2
111.08022	0.6
113.09650	0.7
117.06995	1.6
119.08551	6.7
121.06511	1.2
121.10110	3.5
123.08030	1.8
125.09601	1.4
128.06213	0.6
129.06995	1.3
130.07722	0.6
131.08524	2.9
133.10098	4.1
135.08008	1.2
135.11671	0.9
136.93057	1.1
137.09592	0.5
139.11137	1.4
142.07758	1.6
143.08536	3.2
144.09312	1.1
145.10081	6.2
147.08035	1.0
147.11665	1.8
149.09558	1.3
151.07591	0.6
154.94133	2.6
155.08522	1.7
155.10655	1.4
156.09302	1.7
157.10097	4.2
159.08005	1.2
159.11703	2.5
160.08791	1.0
161.09518	1.1
161.13200	0.8
161.39760	0.5
162.94711	1.0
163.11165	0.8
165.06921	0.6
165.09074	0.7
167.08592	0.6
167.10626	1.3
168.09370	0.7
169.10077	2.5
170.10909	1.1
171.11674	2.5
172.95215	5.1
173.09581	0.6
173.13252	1.6
179.08453	0.8
179.14236	0.6
180.09195	0.6
180.95695	4.3
181.09930	1.2
181.12231	1.8
182.10782	0.7
183.11647	2.1
185.13219	2.2
187.11224	0.5
189.12761	0.8
190.96274	1.6
191.14291	1.0
193.10107	0.9
194.10802	0.9
195.11609	1.9
196.12444	0.8
197.13152	2.8
198.96753	15.0
199.11259	0.7
199.14853	0.9
203.14340	0.9
205.10161	0.6
206.10852	0.9
207.11641	1.4
207.13669	0.5
208.12411	0.9
209.13278	1.3
210.96739	1.4
211.14772	1.3
216.97803	9.9
219.11652	0.8
221.13309	1.1
221.15349	2.2
221.98438	0.7
225.12720	0.6
225.16495	0.6
226.20639	0.5
228.97816	2.1
233.13350	0.6
233.15306	2.8
235.14780	1.0
237.16405	0.7
247.14658	0.6
249.16371	0.7
254.99355	1.1
255.17435	2.6
256.26215	0.7
261.16046	0.7
270.19785	0.6
281.18759	0.8
283.01889	1.9
283.20770	0.6
286.19284	0.7
287.19931	0.6
300.05173	0.7
312.40649	0.5
314.06610	0.6
319.19391	9.7
337.20438	14.0
360.22153	1.7
383.25723	0.5
439.19034	0.8
443.18698	1.0
455.18933	0.8
473.19711	4.2
499.21149	3.6
502.26001	7.8
558.28601	12.6
600.41461	0.8
618.30634	7.2
618.40271	1.0
619.29773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55350	0.6
53.16421	0.6
54.60664	0.6
56.05022	1.3
56.05291	0.6
56.20042	0.6
56.96547	4.0
58.06559	1.1
60.08157	6.7
66.15166	0.7
67.05480	1.7
69.09611	4.4
71.07370	4.0
81.07047	1.3
86.09693	21.2
93.07018	1.5
95.08580	1.6
102.92586	1.1
104.10728	100.0
105.11040	0.9
110.90982	0.6
110.97550	0.7
111.42913	0.6
118.92070	1.1
119.08540	0.8
124.99982	1.4
128.98552	0.9
136.93144	2.2
154.94154	5.5
159.82158	0.6
162.94710	1.1
172.95241	5.4
180.95715	6.1
190.96213	3.1
197.56656	0.6
198.96762	21.8
210.96838	2.3
216.97832	14.9
221.98526	0.7
228.97829	3.0
240.09869	2.6
248.53702	0.7
252.76680	0.7
254.99509	1.7
258.04034	0.8
282.04144	1.1
283.01767	3.1
316.49979	0.7
319.19388	10.9
337.16354	1.1
337.20444	19.4
337.26895	1.0
346.59708	0.6
360.21991	1.6
439.19138	1.8
443.18515	1.7
473.19785	5.8
499.21420	5.0
502.25995	10.2
558.28534	16.9
559.29651	0.8
618.22009	0.8
618.30804	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	618.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01561	1.0
53.03948	2.5
55.05502	1.3
57.03429	4.9
60.56512	0.9
67.05492	20.5
69.03417	2.3
69.07059	2.7
70.06582	1.6
71.04989	3.0
75.04465	1.5
77.03912	1.2
79.05493	4.2
81.07041	16.3
84.04480	1.9
85.02905	5.0
91.05476	4.9
92.86769	1.1
93.07033	4.0
94.63657	1.0
95.04946	11.2
95.08588	9.8
97.02901	1.7
97.06512	1.1
99.04455	1.4
103.05482	1.1
105.03379	55.5
105.04434	5.2
105.07027	4.2
107.04889	1.8
107.08583	2.4
108.08092	1.1
109.02879	1.1
109.06490	2.9
109.10140	68.8
110.10458	1.0
117.07037	1.6
119.08594	4.1
120.08110	1.8
121.06529	1.1
121.10127	1.7
123.11768	1.0
125.05994	1.7
131.04933	1.2
131.08563	3.0
133.06474	4.5
136.07611	1.1
137.05995	6.7
137.09590	79.2
138.09105	1.2
142.29991	0.9
143.08583	2.0
145.04926	1.1
145.06458	1.4
147.08040	3.1
147.22740	1.1
147.65935	1.2
155.10660	5.3
157.06412	1.1
160.07544	2.2
161.09517	1.3
163.07570	2.4
163.39182	1.0
165.09082	41.5
171.08031	1.2
175.07516	5.3
175.11151	2.0
183.10181	2.1
201.11250	3.9
203.08838	1.7
203.10680	4.6
205.10211	2.0
206.04727	1.0
207.10211	2.0
221.11732	3.8
233.09718	1.5
239.12737	65.6
240.13226	1.5
257.13797	80.5
258.14163	2.2
354.16962	2.4
421.22287	9.6
439.23218	1.3
508.22867	1.7
540.25610	2.9
558.26752	10.3
610.41577	1.1
618.28973	100.0
619.29053	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	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.05510	12.6
55.81972	1.0
56.01035	0.9
56.96558	4.5
57.03423	2.4
57.07077	2.2
58.06575	1.4
60.08158	8.5
65.03931	1.3
67.05501	13.1
69.03424	5.2
69.07059	8.2
70.55502	1.6
71.04976	1.8
71.07356	2.9
75.26786	1.0
79.05495	10.5
81.07048	15.5
83.04964	3.1
83.08615	14.9
85.06541	1.8
86.09700	13.9
87.04445	1.7
91.05466	15.0
91.22163	0.9
93.07036	16.9
95.04955	9.4
95.08592	12.1
97.06509	6.0
97.10193	2.0
98.97565	1.2
104.10731	100.0
105.04549	1.2
105.07012	23.6
105.11071	1.4
107.04982	1.6
107.08583	16.5
109.06472	4.8
109.10154	8.8
111.08070	2.5
113.09695	2.2
115.05476	2.0
117.07014	5.3
118.67043	1.0
118.92001	1.1
119.08569	19.1
121.06495	2.3
121.10126	13.3
123.08063	4.0
123.11712	1.9
125.09608	4.6
128.06212	4.4
129.07005	4.9
130.07756	1.5
131.08542	10.4
132.09332	2.1
133.10107	11.9
134.77290	1.1
135.08037	4.3
135.11636	2.6
137.09590	1.8
139.11166	3.2
141.06950	2.0
142.07785	7.3
143.08562	11.7
144.09337	2.5
145.06544	1.6
145.10112	18.8
147.08040	3.3
147.11674	6.2
149.09615	2.6
149.13303	1.2
154.94136	2.8
155.08572	5.7
155.10669	4.0
156.09346	4.2
157.10107	14.0
158.10831	1.7
159.08064	3.9
159.11668	8.3
160.08838	2.1
161.09663	2.2
161.13326	1.5
163.11110	2.4
165.06964	2.4
167.08530	2.4
167.10591	5.1
169.10088	6.8
170.10884	1.6
171.10286	2.0
171.11653	9.1
172.12294	1.0
172.95248	4.5
173.09613	4.5
173.13245	4.0
175.11226	2.4
179.08549	4.2
179.14299	1.3
180.09366	1.2
180.95773	2.9
181.10120	3.3
181.12206	6.3
182.10913	3.2
183.11671	6.8
185.09744	1.2
185.13194	5.1
187.11136	2.4
187.14801	3.2
189.12721	1.6
190.96173	2.5
191.14351	2.0
193.10060	3.4
194.10921	2.3
195.11699	6.3
196.12465	2.9
197.11658	1.5
197.13217	8.4
198.13927	1.3
198.96764	13.2
199.11185	1.7
199.14810	3.6
201.16455	1.2
203.05331	2.8
203.14256	1.9
206.10843	1.5
207.11694	3.8
208.12480	2.4
209.13326	5.9
209.15111	1.7
210.13966	1.0
211.11163	1.6
211.14767	6.1
212.15704	1.2
213.12717	1.8
215.14334	5.0
216.97824	8.3
217.10194	1.1
219.11740	2.4
221.13217	4.8
221.15369	8.9
223.14827	4.8
227.14233	1.2
228.97906	2.3
231.11598	1.6
233.13284	2.1
233.15355	9.0
234.15926	1.4
235.14781	2.8
237.16336	2.7
241.15935	1.7
247.14787	2.7
247.17079	1.2
249.16373	1.9
254.99434	1.4
255.17427	7.8
259.17303	1.2
261.16299	2.3
263.17889	2.3
265.19400	1.5
268.18231	1.2
269.18832	1.1
270.19821	1.3
277.19235	1.4
281.18896	2.0
282.19644	1.1
283.01886	31.1
283.20496	1.5
285.18527	1.6
286.19299	1.2
295.20319	1.6
299.19934	1.9
317.10840	1.1
319.19458	7.6
335.41959	1.1
337.20596	12.6
337.27515	6.3
347.23434	1.9
365.24594	1.8
367.26392	1.3
383.25797	2.8
398.40631	1.2
455.18961	1.6
473.19748	3.5
499.21164	3.4
500.25974	1.0
502.26083	6.9
558.28516	11.0
618.30481	5.3
618.42249	2.8
619.28577	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	618.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13764	6.8
55.05501	56.1
57.07064	15.1
57.25102	6.5
65.03944	6.4
67.05494	27.5
69.03413	18.9
69.07060	11.9
69.77275	19.5
69.77610	6.0
70.06554	6.2
71.04993	8.8
79.05474	40.6
81.07057	51.6
83.04984	14.1
83.08611	70.7
84.74720	6.6
87.04453	8.1
89.06021	12.0
91.05453	57.2
93.07027	72.9
95.04966	21.3
95.08598	43.2
97.06527	22.4
99.04442	7.8
105.07007	98.9
107.08577	77.0
109.06552	16.8
109.10113	31.1
111.08087	6.7
113.09639	10.8
115.05454	9.8
117.06967	16.8
119.08563	100.0
121.06516	14.9
121.10135	54.7
123.08012	31.3
123.11770	6.5
125.09629	19.9
128.06233	17.7
129.06985	17.6
130.07777	9.4
131.08539	54.4
133.06444	8.5
133.10129	43.3
135.08054	19.4
135.11726	9.4
137.09630	7.9
139.11171	19.6
142.07768	26.5
143.08545	38.8
144.09306	20.4
145.10110	77.3
146.88902	6.4
147.08044	12.6
147.11679	19.9
149.09593	15.9
151.07515	10.9
153.07076	6.8
155.08536	23.0
155.10660	11.9
156.09276	20.8
157.10103	69.1
158.10854	7.0
159.07991	14.8
159.11624	48.3
160.08841	13.5
161.09578	18.0
165.06967	8.1
165.09161	14.4
167.08600	12.0
167.10670	16.1
168.09337	7.5
169.10112	40.3
170.10957	7.2
171.11659	38.8
173.09692	7.2
173.13150	13.9
175.11104	15.8
179.08574	14.2
181.10117	18.7
181.12209	19.1
182.10896	8.0
183.11662	35.6
183.13936	8.3
185.13286	19.1
187.14876	12.9
191.14331	13.9
193.10178	13.8
194.10876	12.1
195.11676	32.3
197.13249	34.7
199.14824	17.9
203.14211	13.5
207.11693	10.2
207.13708	8.0
208.12320	8.2
208.14331	9.0
209.13254	29.3
209.15215	12.8
211.14803	23.4
213.16339	15.8
215.14282	12.6
221.13330	12.0
221.15349	47.3
223.14706	19.6
225.12852	9.0
225.14763	18.6
225.16638	9.3
233.13274	8.2
233.15289	31.8
234.16132	14.2
235.14844	18.5
237.16415	11.4
239.14359	7.3
243.17613	9.0
249.16266	11.4
253.15762	8.7
255.17355	27.2
261.16391	8.5
269.19022	14.6
273.18600	13.7
275.17831	7.7
286.19019	9.0
287.20001	26.8
299.20071	15.8
352.24039	22.7
365.24677	11.1
538.36511	47.7
556.35986	8.2
559.23291	22.1
618.42651	30.3
619.25488	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	618.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05276	6.9
55.05508	49.8
57.07064	22.6
59.04979	5.4
63.94677	6.2
65.03941	7.0
66.92520	4.6
67.05497	34.2
69.03426	9.6
69.07050	19.5
69.57642	16.2
69.58044	8.2
71.04985	6.8
71.08633	12.6
79.05491	41.5
81.07047	50.9
83.04975	15.3
83.08623	64.4
85.06518	11.0
85.10165	12.1
89.06026	47.5
90.06371	9.2
91.05468	49.9
93.07042	63.6
95.04967	32.5
95.08607	42.1
97.06508	24.6
99.04445	6.4
103.05428	5.7
105.04499	6.3
105.07021	100.0
107.04967	6.8
107.08587	70.2
109.06514	18.8
109.10150	31.7
111.08053	6.3
113.09644	7.6
115.05466	11.7
117.07005	19.2
117.09039	5.0
119.08562	76.9
121.06465	12.9
121.10146	50.4
123.08049	22.1
123.11682	8.8
125.09615	21.0
128.06216	14.1
129.06992	25.4
130.07790	7.9
131.08548	43.5
131.89375	5.4
132.09352	8.2
133.06439	7.6
133.08588	13.6
133.10120	51.1
135.08054	12.9
135.11676	9.4
137.09595	5.8
139.11172	15.8
142.07806	27.1
143.08553	45.2
144.09315	12.5
145.10103	64.3
147.08054	15.4
147.11673	17.3
149.09579	13.1
155.08534	22.9
155.10686	14.9
156.09326	26.1
157.10103	58.1
158.10789	6.9
159.08052	14.8
159.11658	35.3
160.08801	12.3
161.09583	14.7
161.13216	5.9
163.11119	8.9
165.07036	10.4
165.09091	7.0
167.08559	15.2
167.10675	17.7
169.10117	30.2
170.10916	10.3
171.11642	27.7
173.09651	12.3
173.13234	15.7
175.11194	10.0
177.11232	6.7
179.08649	7.3
181.10107	12.4
181.12160	24.7
182.10957	11.9
183.11617	25.8
184.12451	5.9
185.13229	17.8
186.13924	5.8
187.14824	11.5
189.12643	5.2
191.14285	13.5
193.10120	11.4
194.10901	10.4
195.11685	16.4
196.12515	9.4
197.13263	32.3
199.14815	15.4
206.10837	7.6
207.11629	16.5
208.12460	8.9
209.13223	21.6
211.14793	16.4
213.12598	9.8
213.16206	5.7
215.14224	20.2
219.11632	8.5
221.13274	20.0
221.15359	22.5
223.14850	12.5
225.14755	15.3
225.16600	8.0
233.13272	11.3
233.15372	32.4
235.14767	10.2
237.16408	9.4
241.15965	5.9
249.16208	11.7
251.17953	6.6
255.17462	23.7
258.14105	7.4
261.16376	7.0
263.18030	5.8
265.19391	7.6
267.20950	6.0
269.18854	6.2
270.19574	6.7
277.19641	6.3
283.01917	12.5
383.25668	11.5
412.99542	5.5
439.22052	6.7
618.42065	11.5
619.27264	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	619.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	31.2
60.04503	1.0
64.38464	1.1
69.90877	2.6
69.91205	1.7
70.06570	1.6
81.07055	1.2
84.96024	10.5
85.75854	1.2
91.05435	1.4
93.07074	1.2
98.97569	61.4
110.97552	23.5
112.99160	2.4
116.98609	37.1
127.00689	5.7
127.03921	1.3
128.98592	36.2
131.00127	6.1
131.04945	4.2
134.99615	12.7
136.07571	5.0
137.05043	1.1
137.05919	6.7
140.00171	1.2
140.98524	2.8
143.00188	5.7
144.91179	1.2
144.98076	2.3
145.01791	6.2
145.02789	1.8
145.08652	2.3
146.99625	28.3
149.01234	5.1
151.03867	1.5
158.99597	8.4
159.51466	1.1
161.01224	6.7
162.99139	2.3
163.03975	1.4
163.07535	1.7
164.06987	5.9
165.00754	4.3
165.99324	1.9
170.01349	1.4
170.99669	4.7
175.07483	1.6
177.00606	6.6
179.00131	3.6
179.02148	1.5
184.00449	4.2
189.00720	9.3
197.01218	7.2
201.00705	4.0
211.99962	2.4
213.00629	2.4
215.02287	1.4
218.99599	2.3
219.01733	42.0
222.02039	2.0
223.02904	1.8
234.02100	2.0
237.02776	100.0
238.03355	1.4
242.03313	2.4
243.49873	1.1
245.04877	3.3
248.03529	4.0
249.04152	1.3
253.03712	1.2
255.03896	8.3
257.04529	1.9
260.04434	3.1
261.02808	2.8
263.05899	11.0
264.03189	1.3
266.04642	2.8
279.03882	3.5
281.06879	4.6
282.22781	1.1
314.24347	1.3
322.11261	1.4
352.06183	2.2
382.07336	1.3
385.09375	3.1
397.09564	3.8
400.08389	8.6
415.10574	40.7
416.10834	1.5
418.09146	2.0
433.11636	4.8
438.12192	1.9
457.11887	2.7
471.13116	1.2
475.12665	3.7
487.13214	1.4
493.11618	3.2
496.10184	2.0
499.12619	3.8
501.14218	2.7
511.12640	1.7
517.13647	3.4
541.13708	1.6
544.12079	2.3
559.14716	41.0
577.07324	1.6
577.15857	20.2
578.16101	1.4
619.16901	41.0
619.28198	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	619.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21441	5.1
54.19812	5.3
54.20075	5.2
62.64874	5.6
72.40808	5.6
75.62463	4.8
80.31030	4.8
80.77341	5.2
81.11745	4.5
81.24437	4.8
84.51915	4.2
85.02889	6.0
137.05972	14.9
163.03947	6.2
189.05397	5.5
201.05426	6.0
237.02800	8.8
240.41214	5.4
258.05270	5.9
286.04715	28.1
301.07062	93.0
301.15982	5.0
417.05118	5.2
449.14136	16.0
505.46432	5.5
587.16565	8.8
619.17834	100.0
619.27594	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2144
Annotation	Kadsuphilol F
Peak:m/z	Relative Intensity
52.26592	0.6
54.02694	0.7
54.34583	0.6
64.86852	0.5
70.29244	0.5
98.22626	1.4
105.06981	0.8
119.55167	0.6
140.37132	0.6
190.01973	0.5
229.49318	0.6
363.08298	0.9
374.64246	0.6
390.10492	0.9
393.09525	2.5
408.11792	6.9
409.12277	0.9
467.40216	0.6
582.57977	0.6
589.20917	1.6
619.21399	100.0
620.21637	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18361	0.6
69.15562	1.3
69.15969	2.8
72.43468	0.6
73.36184	0.7
74.59884	0.6
79.49397	0.7
87.04337	1.1
93.06889	1.0
103.91949	0.8
105.06889	1.6
107.08452	0.9
121.09982	1.0
161.78362	0.6
164.92812	0.8
167.10521	1.0
178.48828	0.6
226.09607	0.7
229.44347	0.7
267.52805	0.7
374.16565	0.9
385.14743	0.9
386.15308	1.9
388.17877	0.9
399.15863	2.7
400.16788	4.1
401.17560	4.1
402.18512	1.0
411.16730	1.1
412.16873	0.8
413.17859	3.9
414.18359	6.9
415.19186	9.3
416.19574	1.6
417.20779	1.4
425.17538	1.9
427.19513	1.3
428.20377	5.5
429.21136	8.7
430.21445	2.5
439.19031	1.2
440.19913	0.9
441.17044	2.0
442.17554	1.9
443.17990	3.7
443.22409	4.9
444.18372	4.4
445.20004	1.8
455.18707	1.3
456.19666	1.5
457.20752	4.7
458.21167	4.4
469.16226	1.3
471.21964	8.5
472.22900	5.5
473.19495	2.8
479.21103	1.1
485.19641	1.6
486.20264	4.8
487.21045	2.6
488.21585	1.3
489.22952	1.1
490.19873	1.7
499.21472	8.2
500.21707	2.5
502.19156	0.9
503.24377	3.9
516.21399	0.9
517.21484	0.8
527.20624	2.9
531.23645	6.6
541.22327	0.8
556.52783	0.8
559.23273	100.0
560.23749	5.2
587.22754	16.6
619.25403	37.4
620.25983	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	619.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12989	0.4
67.05445	0.6
71.54266	0.4
72.62731	0.4
90.57471	0.4
93.07007	0.6
95.08543	0.4
98.22617	0.9
105.06930	0.7
121.10001	0.7
123.08020	0.5
164.92999	0.5
195.09412	0.5
197.06958	0.5
360.14304	0.5
374.16519	0.8
375.16971	0.5
385.14542	0.8
386.15323	1.0
387.16153	0.7
388.17587	1.0
390.19516	0.5
398.15985	1.1
399.16202	3.4
400.16788	4.2
401.17822	3.7
402.18524	1.5
412.17560	0.9
413.17804	4.0
414.18433	6.3
415.19287	9.7
416.19736	1.6
417.20651	1.5
425.17499	1.6
427.19928	2.1
428.20206	4.6
429.15927	0.9
429.21243	9.0
430.21680	3.5
439.19275	1.0
441.17130	1.9
442.17505	2.2
443.18439	5.2
443.22757	3.4
444.18591	4.7
445.20099	1.6
455.18823	1.1
456.19324	1.7
457.20346	6.0
458.21069	6.0
459.95551	0.5
469.16309	1.0
471.22107	8.2
472.23117	4.6
473.19305	3.7
474.20523	0.9
483.17853	1.0
484.18753	1.3
485.19717	2.6
486.20465	5.2
487.21231	2.7
488.21844	1.3
490.19852	0.9
499.21313	8.0
500.22693	2.9
502.19199	0.6
503.24722	3.6
516.21448	1.1
517.21930	1.5
527.21027	2.6
528.21753	1.0
530.22729	0.6
531.23895	7.0
543.23303	1.0
544.20947	0.9
559.23315	100.0
560.23694	6.1
587.22845	16.3
588.23358	1.3
619.25421	35.5
620.25427	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	619.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33739	0.6
71.43996	0.6
149.09285	0.6
222.07553	0.6
341.15503	0.9
385.14392	0.9
386.14890	1.1
388.17490	0.8
398.15552	1.0
399.15936	2.9
400.16904	3.2
401.17804	3.0
402.18439	0.8
413.17691	3.5
414.18417	6.4
415.19354	7.4
416.19849	1.2
417.20505	0.9
427.19043	2.0
428.20566	3.2
429.21121	8.7
430.21329	2.8
431.18085	0.9
439.19360	1.1
441.16882	2.0
442.17242	1.2
443.17090	3.9
443.22482	3.6
444.18179	4.0
445.19760	2.0
455.18527	1.1
456.19156	1.9
457.20413	5.9
458.21042	4.9
459.21814	1.1
471.22321	6.7
472.22968	5.8
473.19656	2.9
484.18597	1.0
485.19720	2.5
486.20468	5.6
487.21054	1.8
490.19827	2.3
499.21216	5.7
500.21725	2.5
501.19128	0.9
503.24420	3.2
516.21167	1.4
517.21887	1.0
527.20532	2.0
531.23792	6.4
559.23328	100.0
560.23596	5.5
587.22827	15.0
619.25513	37.8
619.33936	0.9
620.25812	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	619.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.7
55.01849	2.3
55.05492	4.9
57.07065	2.1
65.03915	2.5
65.56483	1.5
66.90646	1.4
67.05486	15.4
68.99776	5.1
69.07058	25.6
79.05484	7.6
81.07036	11.8
83.01342	4.1
83.08616	3.2
85.02905	13.2
91.05470	9.2
93.07035	13.1
95.04971	2.8
95.08594	5.6
99.00806	2.3
105.07003	9.4
106.12202	1.8
107.04935	6.3
107.08594	10.6
109.10136	41.2
111.04421	5.5
111.11697	2.7
113.02354	70.0
115.05473	3.2
117.07079	2.2
119.04895	2.4
119.08552	7.8
121.02841	2.6
121.06489	7.3
121.10124	20.1
123.04352	3.6
123.11700	5.9
127.22968	1.6
128.06230	3.6
129.06958	2.5
131.04910	4.2
133.02811	13.3
133.06451	3.0
133.10080	6.2
135.04344	3.4
135.11690	13.5
137.05954	7.4
139.03854	5.9
141.06898	2.3
143.04898	2.4
145.06451	3.2
147.04401	7.3
147.11618	3.7
149.02310	4.6
149.05959	6.3
151.03886	5.6
152.04668	2.1
153.05461	20.2
159.04309	3.0
161.05943	8.0
162.03082	11.5
163.03885	11.5
163.14833	2.1
164.04642	6.3
165.05455	16.5
165.06853	3.7
166.06194	2.1
167.03366	9.5
167.07004	3.3
168.05812	1.7
169.06430	3.4
171.04410	3.6
171.08028	4.2
173.05988	2.6
173.09694	2.2
174.06755	2.0
175.03812	4.5
175.07487	4.2
176.04633	4.5
177.01891	2.6
177.05479	19.8
177.16391	4.0
178.02681	2.3
179.03404	11.0
179.08542	1.9
181.04910	2.8
181.06425	3.5
184.05219	3.7
185.05962	5.2
187.03925	2.1
187.07452	2.6
188.04642	1.8
189.05406	12.6
189.16356	6.8
190.02573	19.8
190.06256	3.3
191.03358	5.2
191.07010	6.7
192.04140	7.2
193.04941	27.5
193.06575	3.3
194.06979	1.7
195.06438	3.0
195.08018	5.0
196.05225	6.6
197.05939	6.0
198.06664	4.0
199.03899	5.3
199.07544	8.0
201.05417	7.5
201.09129	4.9
202.06284	3.2
203.03464	3.8
203.07034	7.6
204.04153	2.1
204.07739	3.8
205.04932	100.0
205.08449	3.4
206.05562	1.9
207.04504	2.6
207.06477	28.5
209.05942	3.9
211.07518	20.5
212.08047	1.9
213.05450	10.7
214.06255	4.2
215.07043	6.0
216.07784	4.7
217.04935	19.0
217.08458	8.0
218.05609	2.0
219.02989	1.9
219.06467	29.9
221.05899	3.3
223.03932	2.7
223.05859	3.7
223.07771	2.3
224.04665	5.2
225.05421	3.4
226.06218	5.0
227.06946	16.2
227.10655	2.2
228.07697	5.6
229.04924	5.6
229.08539	7.8
230.05734	2.8
230.09283	2.4
231.06494	15.6
231.10114	4.9
233.04315	2.9
233.08046	3.6
233.11662	2.9
235.03793	1.7
235.05748	2.5
237.05412	5.1
238.06154	3.6
238.93991	1.7
239.07002	19.0
240.04153	2.4
240.07275	1.9
241.04886	12.8
241.08551	4.6
242.05730	3.1
243.06508	6.7
243.10132	4.7
244.07304	5.7
245.04359	3.7
245.08052	7.4
247.09660	2.4
249.05392	4.4
249.07628	3.2
250.06233	4.0
251.07033	2.1
252.04184	4.2
252.08006	2.3
253.08514	3.4
254.05782	3.8
255.06516	15.0
255.10196	3.1
256.07187	3.5
257.04422	3.7
257.07913	3.8
258.05182	2.6
259.09598	13.9
261.07687	2.7
261.11047	2.3
263.06946	3.4
264.07712	2.9
265.04849	4.8
265.08575	3.1
266.05725	4.4
267.06491	25.7
267.09412	2.9
269.04373	9.3
269.07962	5.3
271.05963	5.0
271.09619	8.5
272.06708	8.9
273.07864	11.8
273.11075	15.8
278.05569	2.6
279.06519	2.6
280.07227	4.4
281.08032	7.3
283.05930	9.9
283.09558	3.6
284.06879	3.9
285.07471	3.6
285.11398	2.5
285.14655	2.7
286.04642	4.8
286.08240	2.7
287.09146	19.2
289.07224	2.5
291.06247	2.5
292.07001	3.0
292.29364	2.2
293.08160	12.0
294.05453	3.3
294.08432	2.5
295.06137	3.3
295.09409	4.1
297.07581	3.7
298.08347	2.6
299.05750	3.7
299.09119	12.7
300.06161	4.3
301.07040	42.4
301.10318	2.7
305.04526	3.7
307.06052	3.2
308.06671	5.1
309.07486	14.5
310.08133	2.4
311.05521	4.0
311.09064	4.5
312.06314	4.4
312.09796	4.6
313.07205	2.8
313.10654	3.3
314.07791	7.6
315.08582	77.6
316.09360	64.2
317.10104	9.3
318.11026	3.8
319.05652	1.8
319.09470	3.0
321.07391	3.2
322.04800	2.8
323.05655	3.8
323.09167	6.8
325.07001	4.4
325.10577	2.6
326.07761	4.4
327.08511	7.5
327.12128	2.5
327.15900	6.6
328.09265	3.3
329.10052	3.7
330.10852	2.4
335.08817	2.4
336.06262	5.4
337.07028	20.2
337.10660	4.2
338.07687	4.0
339.08569	9.7
339.15906	5.4
341.10217	9.2
342.10895	2.8
351.08575	18.1
353.10034	6.8
354.10855	6.1
355.11737	11.2
356.12408	6.6
357.13257	2.7
358.14056	4.6
365.06534	4.9
369.09409	19.6
369.13278	84.2
370.13721	7.0
379.07886	6.8
381.13397	4.7
383.11069	3.0
384.15616	88.1
385.16064	4.2
387.79669	2.1
391.11740	2.3
395.14865	8.0
396.15570	3.1
397.09119	54.8
398.17218	2.1
401.12271	34.1
405.13333	3.6
411.10553	17.1
424.18918	2.7
429.11752	32.3
436.19092	2.4
437.19604	95.8
438.20300	69.6
439.20157	2.0
450.20370	5.4
451.13974	2.9
463.20850	2.8
465.15540	8.4
479.16635	5.1
495.15964	2.2
506.26541	29.1
507.27075	3.2
519.20026	5.5
533.21478	4.5
551.22491	2.3
563.22272	2.3
601.27582	3.2
619.28821	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	619.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96789	6.3
55.05503	19.6
57.03419	16.4
57.07061	7.4
60.73169	6.4
67.05501	41.0
69.03412	17.7
69.07053	28.1
70.51923	12.5
71.04996	73.5
75.04468	11.1
79.05475	18.6
81.03373	7.6
81.07051	58.2
83.04964	23.2
83.08635	9.6
85.02901	98.5
91.05467	19.4
93.07018	40.7
95.04957	57.7
95.08585	79.3
105.07014	48.7
107.08582	79.1
109.10145	62.5
111.08053	32.1
113.06004	25.4
117.07022	10.5
119.08563	81.8
121.10114	37.8
123.11657	13.7
129.05458	36.0
131.07022	16.2
131.08542	27.3
133.10120	60.6
135.11642	18.6
137.13286	8.7
139.11150	11.2
143.08539	7.7
143.23561	8.7
145.10120	37.9
147.06456	19.6
147.11661	38.1
149.13229	51.6
157.10060	11.0
159.06537	10.7
159.11659	32.1
161.07898	8.2
161.13286	35.3
163.03711	8.4
163.14818	30.8
173.13263	22.3
175.14815	33.9
177.16348	39.1
183.11699	7.1
187.14822	33.1
189.16362	94.5
191.17964	11.2
199.14783	19.5
201.16383	71.6
203.17969	67.7
205.15788	10.2
207.17441	18.6
213.16350	19.7
215.17921	33.6
217.19699	7.4
229.19434	9.1
235.16815	10.4
242.01601	8.4
247.16878	12.1
249.18559	12.5
255.21005	8.5
261.18390	8.4
281.22626	7.9
290.34448	7.7
391.33557	20.5
409.34579	47.5
411.35956	8.4
435.32306	20.5
437.34216	100.0
455.35089	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.5
55.78390	4.0
57.03424	15.8
65.03895	4.3
66.66996	3.6
67.05505	20.9
69.03413	5.5
69.07052	14.8
71.04984	58.2
75.04459	10.2
79.05468	13.4
81.07039	41.1
83.04979	15.1
83.08620	6.6
85.02894	94.7
90.86488	3.5
91.05463	12.4
93.07021	32.5
95.04945	35.0
95.08591	62.1
95.86562	3.6
100.13367	3.9
105.07014	40.5
107.08578	52.7
109.10136	54.4
111.04430	7.1
111.08025	23.4
113.05984	7.5
119.08560	51.7
121.10144	44.9
123.11684	10.1
129.05461	31.7
131.07028	11.3
131.08574	16.2
133.10098	36.4
135.11681	22.2
145.10088	28.8
147.06509	13.5
147.11668	42.5
149.13211	42.8
157.10054	5.9
159.06552	8.0
159.11658	22.9
161.13196	35.7
161.55743	3.6
163.14784	30.8
171.11642	5.4
173.13269	16.6
175.14777	31.8
177.16312	29.3
185.13228	6.3
185.43068	3.9
187.14813	16.7
189.16353	65.8
191.17892	13.6
199.14798	8.7
201.16360	55.8
203.17924	64.7
205.15817	13.1
205.19539	7.3
207.17439	21.2
213.16386	11.2
215.17928	28.1
217.19608	4.9
219.17404	9.8
221.18942	6.8
229.19496	12.1
235.16882	12.9
241.19559	7.0
243.21057	7.8
247.16855	13.3
249.18517	6.4
255.21060	4.4
261.18417	7.8
271.17215	5.1
283.24277	5.1
391.33643	18.2
397.31097	7.0
409.34567	51.3
413.80875	4.0
435.32178	7.7
437.34079	100.0
438.34409	9.7
455.35156	30.6
583.39453	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	620.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94589	0.9
55.01901	0.9
61.44052	0.7
69.03430	1.8
69.09409	1.1
69.09811	4.0
79.05506	0.9
81.07071	0.8
85.02891	2.9
91.05480	5.4
92.16059	0.7
94.04192	2.3
95.04962	1.6
97.02901	1.5
99.93924	0.7
103.05481	1.5
105.07030	1.3
107.04941	2.6
109.06523	3.0
117.07015	1.0
119.04926	3.1
121.06487	2.3
122.03671	5.9
129.06979	6.1
131.04932	2.9
131.08545	1.4
133.06512	0.9
135.08052	1.2
137.05966	100.0
138.06273	1.8
145.06488	1.2
146.03645	1.1
147.04417	1.4
149.05989	4.8
151.03917	1.7
151.07526	23.5
155.58499	0.8
157.06461	8.7
161.05971	16.5
161.09583	3.8
163.03893	1.7
163.07547	4.8
165.07063	1.3
167.08577	0.8
169.06464	0.7
174.06740	2.2
175.07561	3.9
177.09036	4.2
178.07758	1.1
179.06950	0.9
180.08676	1.5
189.09085	16.7
191.07019	0.9
193.06517	2.1
193.10133	2.0
195.08028	2.4
195.10170	2.1
203.08659	0.8
206.07211	0.7
209.06003	1.4
210.06744	1.7
211.07533	1.0
221.05994	3.9
221.09598	5.7
224.08305	1.5
225.09044	2.7
227.10687	2.9
238.06140	1.9
239.06900	0.9
240.07710	1.7
241.08455	0.8
245.95650	0.8
249.09123	2.5
253.08548	10.1
253.12288	6.7
255.10040	3.4
266.09326	1.2
267.10162	3.0
269.08017	1.9
271.13220	1.4
272.10370	2.6
275.05869	1.9
278.09451	0.9
281.11737	4.4
284.10199	1.7
285.11230	9.2
287.05820	3.8
287.12726	6.6
293.12015	1.5
297.11191	1.6
299.05826	1.0
299.12790	3.5
301.07336	1.0
311.12622	1.2
313.14371	12.9
314.14612	0.9
325.14487	1.0
331.15359	42.0
343.15414	6.0
361.16409	1.9
411.11041	70.1
412.11630	1.0
423.11020	16.9
621.20734	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01871	4.5
57.03426	1.2
59.04990	1.9
61.02925	0.5
63.62817	0.4
69.03428	10.9
70.06596	0.5
71.04966	0.6
71.40961	0.4
73.02909	0.9
73.26679	0.4
81.03423	3.9
85.02902	6.5
87.04456	6.3
88.33186	0.4
91.05462	2.1
97.02886	15.0
99.04435	1.5
105.24336	0.4
109.02870	3.6
115.03922	100.0
116.04264	1.2
118.24271	0.4
119.04936	4.6
123.04419	0.9
127.03911	6.2
133.04961	14.6
137.05965	0.6
145.04929	3.1
147.04395	33.6
148.04805	0.6
164.15901	0.3
165.05478	1.7
167.30046	0.4
167.88918	0.3
171.04404	1.4
171.64941	0.4
187.06003	0.9
189.05444	0.7
204.08655	0.4
213.05414	0.8
241.07092	1.6
254.16138	0.4
255.06567	1.1
259.08115	11.4
261.07718	0.8
270.84830	0.4
277.09146	10.6
278.09644	0.4
337.30853	0.4
387.10999	0.8
403.12448	0.5
405.11707	0.6
423.12769	3.1
424.13696	0.4
484.46204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01875	1.7
55.05512	2.6
57.03188	1.1
57.03439	8.5
61.02909	3.7
62.16388	1.3
65.94967	1.2
67.05486	3.4
69.03421	16.7
69.07039	1.6
69.66988	4.0
71.01341	1.3
71.04984	29.6
73.02911	11.3
75.04466	4.5
79.05474	2.2
81.03396	3.2
81.07052	3.6
83.04980	12.2
85.02893	100.0
86.03224	1.6
87.04453	3.1
91.03925	2.1
91.05454	1.5
93.07036	3.3
95.04961	7.2
95.08588	6.6
97.02881	20.4
98.23479	1.8
98.69303	1.3
99.04411	3.4
103.03939	1.7
105.07022	4.0
107.08585	5.1
109.02868	4.4
109.10139	4.1
111.04424	9.4
111.08043	1.5
113.06010	2.7
115.03922	14.9
119.08566	4.6
121.10107	2.3
127.03885	14.3
129.05467	29.9
131.07039	1.6
133.04926	7.5
133.10126	3.9
135.11681	1.5
139.03885	2.5
145.04944	21.2
145.10172	1.9
147.06511	19.7
147.11664	3.1
149.13293	2.5
152.21204	1.3
159.11658	2.2
161.13223	1.9
163.05980	8.6
163.14821	1.8
165.07524	1.9
169.04961	1.4
171.06567	1.5
175.14738	2.1
177.16464	1.9
189.16368	4.7
201.16402	2.8
202.16728	1.8
203.17912	4.5
215.17938	2.2
225.07570	3.8
231.08708	1.4
237.07414	1.1
243.08638	7.2
255.08542	1.9
259.08102	1.6
261.09610	2.7
273.09705	3.2
279.10760	14.3
295.10147	1.6
309.11624	6.4
313.24197	1.3
325.11234	2.2
333.49933	1.2
437.34048	3.7
438.34497	1.7
456.35236	1.3
469.04742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.8
65.03931	2.3
67.05502	5.1
69.07056	9.5
79.05448	2.5
81.07061	4.9
91.05489	3.6
93.07046	3.6
95.08598	5.5
104.10764	3.7
109.81146	2.4
114.25423	2.0
121.06551	2.9
124.88120	1.9
131.04921	4.7
134.94080	2.2
147.08012	2.7
149.02342	29.7
149.03479	5.2
149.05971	2.6
157.35176	2.3
162.03084	3.6
174.06876	2.3
188.04614	2.4
190.02582	17.7
192.04291	2.2
193.04916	20.2
193.70090	2.2
199.03899	2.7
203.05225	3.2
203.07054	6.0
205.04921	100.0
205.06795	5.1
206.05399	2.7
207.06517	8.3
207.10304	2.4
219.06534	7.1
231.06499	8.7
247.09705	3.2
273.11057	3.3
275.09146	5.7
283.01837	28.7
284.02255	7.4
329.17383	36.3
330.17947	3.0
337.27377	2.4
338.27570	6.7
577.13049	3.4
603.25354	3.1
620.28247	7.4
621.15381	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	620.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
61.17496	3.9
67.05481	4.7
69.07070	6.6
69.35788	16.6
79.80357	3.6
81.07066	5.1
91.05487	4.8
93.07024	4.0
100.11215	3.8
105.07033	4.0
111.35452	4.0
121.06467	5.8
133.02863	6.3
162.03142	6.9
185.33897	3.8
190.02650	14.6
193.04948	58.9
205.04942	100.0
205.06799	5.5
219.06548	13.3
233.08012	6.8
247.09641	9.5
261.11270	6.5
273.11066	7.6
311.12924	5.0
329.17328	7.3
345.41116	3.9
384.02780	4.6
598.77576	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	620.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78831	0.9
69.03401	1.5
69.07049	1.0
69.44611	1.8
69.44985	2.3
75.73522	0.8
83.06094	1.1
92.06593	0.8
93.07073	1.0
97.02860	1.1
98.23470	1.8
107.08518	0.9
126.09878	0.9
278.18414	1.2
309.15399	1.1
366.17737	1.2
391.26785	1.0
422.23447	1.4
448.28580	1.2
479.25629	2.2
535.31958	1.7
562.32892	1.7
574.33215	3.3
590.32764	4.2
592.34167	4.6
602.32825	6.0
620.33728	100.0
621.33838	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	620.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.4
55.01866	20.6
55.05507	10.5
57.03424	7.2
57.07071	2.0
65.03934	3.8
67.01861	2.0
67.05494	50.5
69.03416	41.1
69.07062	10.1
71.01340	2.2
71.04983	10.8
73.02899	10.3
76.64077	1.5
79.05474	28.9
80.32307	1.5
81.03408	38.9
81.07044	52.5
83.04958	3.8
83.08598	4.7
85.02892	20.5
87.04482	1.7
90.57426	1.7
91.05471	19.7
93.07027	34.4
95.04945	5.2
95.08595	41.2
97.02883	48.2
97.06490	1.9
97.10168	2.2
99.04442	65.0
101.02363	3.9
105.07008	17.7
107.08572	20.2
109.02863	40.6
109.10135	21.8
111.04445	8.5
115.52452	1.9
117.07024	7.1
118.97977	1.7
119.08524	11.4
121.10126	20.9
123.11717	12.0
124.24760	2.1
127.03896	100.0
129.05527	2.4
131.08569	8.4
133.10138	10.3
135.11723	14.0
137.13208	4.3
143.08542	2.8
145.04926	19.8
145.10100	9.8
147.11688	6.2
149.13239	7.2
153.06920	2.0
154.75604	1.6
159.11734	9.4
161.13239	3.2
163.14824	3.7
173.13281	7.0
185.13257	2.3
187.14813	2.3
241.19511	2.8
243.20903	3.7
259.20575	6.4
261.22073	20.6
277.21555	9.1
279.23151	3.2
337.21313	1.8
341.09256	1.9
353.19312	1.8
357.24194	3.8
369.24054	7.5
387.25327	3.2
405.26208	7.7
423.27316	35.8
424.28149	2.2
440.25150	1.9
446.20749	2.0
560.22894	2.3
561.24945	21.7
589.23718	2.5
621.27136	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91068	5.7
50.96478	5.5
53.03947	7.6
55.01864	19.9
55.05500	22.0
57.03431	18.4
59.61939	4.7
65.03934	6.2
65.87298	5.1
67.05492	44.4
69.03418	79.2
69.07057	14.7
69.79227	16.1
71.01328	5.4
71.04980	5.7
73.02901	9.8
79.05470	51.5
81.03414	36.9
81.07043	49.3
83.04968	12.3
83.08628	7.8
85.02895	100.0
88.37740	5.4
91.05453	40.3
91.62107	5.0
93.07040	48.5
95.04967	11.8
95.08605	42.9
97.02873	38.4
97.06495	5.1
98.23417	7.5
99.04440	15.7
101.02377	8.3
105.07008	29.9
107.08566	28.7
109.02850	10.3
109.06470	12.1
109.10133	24.6
111.04424	7.5
115.03910	6.8
117.07011	19.9
118.98644	5.5
119.08574	27.8
121.06463	7.3
121.10126	30.5
123.11658	9.6
127.03899	63.8
129.06979	15.0
131.08557	25.3
133.06535	5.6
133.10107	21.3
135.11682	14.4
141.06924	7.0
143.08615	10.3
145.04956	34.5
145.10075	18.5
147.11691	8.5
149.02345	21.5
149.13289	8.1
157.10123	11.7
159.11632	16.3
161.13214	12.6
163.05951	7.8
173.13237	12.8
175.14772	6.4
180.08722	9.3
180.84917	5.7
259.20587	8.0
261.22089	15.4
277.21558	9.3
289.21552	5.6
303.23309	15.2
315.23111	9.8
323.23712	6.2
351.22937	12.5
361.48383	7.6
369.24271	39.0
387.25198	45.4
405.26184	39.7
423.27194	12.3
445.19925	8.4
561.24841	74.4
589.24463	11.4
621.16748	8.2
621.26862	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.05504	4.6
56.05012	1.8
57.07071	0.7
67.05489	6.6
69.03410	1.5
69.07058	7.1
70.04062	2.3
70.06573	0.6
71.04999	0.6
71.44490	0.5
79.05479	1.8
79.23428	0.7
81.03394	0.9
81.07045	11.9
83.04955	0.9
83.08595	2.3
84.04490	22.6
85.02887	2.2
91.05456	2.3
93.07022	4.2
95.04956	1.4
95.08588	7.5
97.02914	0.7
97.06500	3.0
97.10145	7.8
99.08054	0.6
102.05520	12.5
105.06997	2.9
107.08581	4.0
109.06516	1.6
109.10134	10.4
110.06008	1.5
111.08002	0.6
111.11709	1.4
119.08560	5.0
121.10111	4.2
122.07253	1.6
123.08039	1.7
123.11683	7.3
125.09625	2.6
127.03843	0.8
130.04976	10.4
133.10115	1.3
135.07999	1.0
135.11647	2.6
137.09593	15.9
137.13248	0.9
138.12738	0.8
139.11150	4.9
143.10689	1.1
145.10141	0.8
147.11685	1.8
148.06018	10.7
149.09602	1.7
149.13240	1.6
151.07520	0.8
151.11131	1.3
153.09151	0.7
153.12692	0.6
157.12238	2.6
159.11699	1.8
161.09642	0.8
161.13264	0.9
163.11115	0.6
163.95189	0.5
165.09088	100.0
166.09435	1.3
170.11710	0.8
170.15439	0.6
173.13231	1.0
175.11182	0.7
175.14749	1.3
177.09029	0.7
184.13319	1.6
187.11182	0.7
189.11206	1.0
189.12767	1.4
189.16266	0.7
203.10686	0.6
203.12793	1.5
205.12259	2.6
205.15916	0.7
215.14267	0.7
263.23596	0.6
268.15421	2.4
272.14792	2.2
273.22015	1.3
285.22073	1.3
286.16428	3.6
291.23151	2.6
300.14337	2.0
303.23102	1.6
314.15854	3.9
352.21039	0.9
392.27835	1.7
404.28000	0.7
420.27332	5.1
432.27478	2.5
437.30423	1.3
438.28473	19.1
439.28738	1.3
450.28577	4.5
455.31604	2.4
456.29550	1.0
584.35248	2.0
602.36963	2.5
620.28229	0.6
620.46899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
57.07067	77.5
67.50751	0.6
69.03419	1.1
69.07061	1.8
69.73682	2.4
71.08622	1.1
73.06543	2.6
73.98246	0.6
77.03944	0.8
79.05472	1.2
81.07012	0.7
83.04967	0.8
87.04454	18.2
89.06017	100.0
90.06351	0.7
91.05460	8.1
93.07027	7.1
94.90422	0.6
95.04942	4.3
98.22735	1.2
103.05435	2.1
104.10727	1.1
105.04460	1.6
105.07020	2.9
107.04948	1.2
107.07056	3.7
107.08571	3.0
109.06481	1.1
113.13265	1.4
117.06993	2.3
117.09056	1.2
118.07774	6.0
119.04961	4.2
119.05673	0.9
119.08565	6.6
121.06485	28.4
121.10117	1.2
122.06836	0.7
122.64622	0.6
123.08036	1.4
129.06970	0.8
130.08617	1.9
131.07027	6.8
131.08452	0.6
133.08583	65.2
133.10184	1.9
134.08835	1.0
135.08057	3.9
135.11635	1.8
139.35518	0.6
147.08025	14.9
149.09575	5.4
149.13235	1.1
150.06737	5.3
159.11655	2.6
161.05911	2.0
163.11124	2.9
165.09082	13.7
167.10616	2.2
173.09543	0.9
175.09595	4.1
175.11029	1.5
177.11206	25.5
177.12659	2.9
186.15828	0.8
190.02502	0.7
191.10640	4.1
193.04965	1.1
193.12180	2.3
205.04947	5.1
209.11685	5.8
211.13284	2.8
217.12206	4.5
217.16875	1.0
219.12148	0.9
221.13840	4.9
233.16774	1.2
233.18965	22.4
234.19260	1.0
235.13191	3.4
239.14772	1.0
247.20392	0.6
253.14287	1.9
255.15822	2.2
259.20584	3.6
265.16309	1.6
275.20117	0.7
275.23441	1.9
277.21579	34.4
278.21759	1.2
279.15775	1.6
283.01938	0.8
283.17468	1.4
297.16895	1.1
299.18384	0.8
303.23013	2.2
309.18857	0.9
321.24200	10.3
323.18430	0.7
325.14029	2.4
359.20276	1.6
403.22906	1.8
440.22668	0.7
447.25412	1.7
491.28412	9.9
603.40833	12.5
620.28064	1.2
620.43835	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	621.1804
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
55.05502	2.2
57.03428	0.7
61.02898	0.9
67.05477	0.6
68.99792	0.3
69.03419	36.5
70.03740	0.3
71.01346	1.1
71.04983	2.6
71.97060	0.4
74.92316	0.3
83.04971	9.6
85.02888	4.8
87.04449	0.6
91.05478	0.6
95.08614	0.3
97.02862	0.3
105.03397	0.4
111.04427	9.7
121.02852	1.7
129.05458	18.7
133.02763	0.4
135.04417	0.5
137.02336	0.6
137.05969	0.8
141.84053	0.3
145.02808	0.4
145.08516	0.5
147.04352	0.5
153.01816	2.3
164.42087	0.3
165.01808	0.7
167.07014	0.5
177.05475	0.6
183.02844	0.6
189.07547	5.6
191.03369	0.4
205.04964	0.4
213.05405	1.3
231.06386	0.7
241.04916	0.6
258.05157	0.8
259.06003	0.4
271.05923	1.3
287.05453	100.0
288.05771	2.1
299.05350	0.4
306.99884	0.4
329.06442	0.5
433.11285	5.2
438.55038	0.4
470.63516	0.3
505.88620	0.3
621.24615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48296	0.1
67.01844	0.5
68.99782	0.5
69.92576	0.1
69.92904	0.3
71.04974	1.1
79.05469	0.1
81.03397	0.2
84.04464	0.2
85.02892	0.2
85.06522	0.3
89.03890	0.2
95.04934	0.2
97.02856	0.2
97.64146	0.1
109.02837	0.3
113.06017	0.2
117.03342	0.2
127.03913	0.2
127.07546	0.7
131.04941	0.1
131.07001	0.2
133.06631	0.1
135.04396	1.3
137.02342	0.5
145.04939	0.1
145.08574	3.0
145.09787	0.2
145.91336	0.1
153.01805	5.4
161.02303	0.9
163.03992	0.1
165.09094	0.2
171.02911	0.7
179.03406	0.4
191.03337	0.2
203.03288	0.2
213.05467	0.2
219.06503	0.2
241.04877	0.4
243.08575	0.1
245.04506	0.2
259.05945	0.2
269.04517	0.4
271.06021	1.2
287.05447	100.0
288.05777	3.0
305.21338	0.1
449.10565	0.3
495.81396	0.1
561.16296	0.2
620.46710	0.1
621.17462	1.7
622.18164	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	621.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43556	1.0
77.22451	0.8
95.58493	1.0
112.86168	0.8
137.06064	1.0
147.04419	1.6
162.65591	1.0
180.40308	0.9
187.64975	0.8
271.05984	9.4
313.07108	3.1
321.16846	1.0
395.11020	3.6
410.13208	11.5
411.14117	1.0
621.23004	100.0
622.23492	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	621.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.3
70.54202	0.7
75.31696	0.3
88.69423	0.3
92.24199	0.4
100.11214	0.6
109.10150	0.4
118.68096	0.4
147.95044	0.4
174.25607	0.4
176.04478	0.4
177.05251	0.5
177.79340	0.3
182.15350	0.6
187.88748	0.4
189.05185	0.6
203.06905	0.5
277.16129	0.4
334.59937	0.3
361.10309	2.1
363.11990	0.8
365.10004	1.5
377.09821	2.4
379.11386	0.5
380.12149	2.4
381.13019	1.0
392.12283	3.1
395.11002	5.0
409.12454	0.5
410.13330	9.8
411.14096	1.1
505.95096	0.4
557.72003	0.3
559.19550	0.5
591.22333	0.9
620.46667	0.5
621.22974	100.0
622.23273	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	621.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05460	0.5
77.64751	0.4
98.22636	1.0
118.06534	0.8
120.08076	1.5
131.07294	0.7
144.08112	0.6
146.09628	0.6
149.02332	0.8
184.09984	0.7
194.08202	0.6
195.09163	0.9
196.09827	1.0
197.10657	0.5
200.20085	0.7
204.06561	0.9
207.09186	0.9
208.09915	0.9
209.10745	1.9
210.11507	1.8
211.12213	1.5
212.13071	0.6
214.24657	0.5
219.09198	0.7
220.09967	0.7
221.07182	0.5
221.10730	2.0
222.11546	1.3
223.08701	1.0
223.12242	2.5
224.13116	0.7
225.13823	4.9
226.14601	1.3
235.08626	1.0
235.12233	1.6
236.09479	1.0
237.10219	1.4
237.13828	2.6
238.14590	1.0
239.15434	1.4
247.12254	0.5
249.10204	2.2
249.13864	1.4
250.11014	1.0
251.11852	0.7
256.26321	0.9
263.08191	0.6
265.09967	0.6
265.13245	0.8
269.12915	0.6
275.15460	1.0
277.09628	1.8
280.08536	0.5
287.15305	0.6
293.09061	0.9
314.12894	0.8
322.09760	0.6
326.12918	0.7
336.11465	0.6
337.11746	2.5
338.12933	1.0
339.13602	0.8
340.14389	0.8
341.11719	0.6
350.12796	1.1
351.13593	1.2
352.14426	1.2
354.12485	0.7
366.12021	0.8
366.16064	1.7
368.13852	0.8
378.15894	0.6
382.15598	0.8
387.16269	1.4
388.17151	0.6
389.17990	1.0
394.15503	1.4
396.13376	0.7
401.17746	1.5
402.18469	1.5
403.19302	1.0
412.16663	1.1
414.14481	0.8
415.14816	2.5
416.15814	1.2
416.20538	0.9
417.16614	1.2
417.21301	1.0
418.18002	0.6
426.17401	0.7
429.16931	3.4
430.17767	1.9
431.17715	3.8
431.23148	1.1
432.19125	0.9
433.20297	0.7
443.18756	3.0
444.19382	2.1
445.20071	4.0
446.20712	3.7
447.21780	4.0
454.17368	0.8
459.22443	7.1
460.22449	2.0
471.17825	1.2
472.18552	1.4
473.18784	1.0
473.24216	1.0
474.20087	0.9
474.23804	0.5
475.21567	1.6
476.21719	0.7
486.20578	0.8
487.21371	11.5
488.21732	1.5
489.22836	0.7
501.22986	4.4
502.20804	0.5
503.20914	0.9
504.21869	0.6
515.20599	1.5
517.22369	0.7
518.23169	0.7
519.23901	2.6
529.22412	2.5
531.20135	1.5
533.25439	4.1
534.22174	2.6
546.22668	1.2
547.23425	2.1
561.24884	100.0
562.25250	7.2
589.24377	10.0
590.24469	0.8
593.27734	0.7
621.26929	63.4
621.48273	1.6
622.27228	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	621.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58124	0.3
53.14361	0.2
62.38344	0.3
70.69757	0.3
91.75088	0.3
94.06522	0.6
108.08097	0.3
118.06507	0.6
120.08038	1.0
132.08047	0.4
138.05467	0.5
144.08047	0.5
156.08011	0.4
158.09572	0.5
159.09149	0.4
168.08017	0.4
169.07518	0.3
169.08859	0.4
172.03900	0.8
180.73904	0.3
181.08844	0.5
182.09663	0.4
194.08212	0.6
195.09140	1.2
196.09856	0.7
196.11397	0.4
197.10704	1.0
204.06535	0.7
206.08353	0.4
207.09135	1.2
208.09808	0.9
209.10699	2.4
210.11414	2.1
211.08640	0.5
211.12273	1.5
212.13036	0.8
219.09119	0.5
220.09837	0.7
221.06969	0.3
221.10681	1.8
222.11479	1.2
223.08614	0.9
223.12274	2.7
224.13026	1.2
225.10233	0.5
225.13821	4.2
225.15811	0.5
226.14548	0.7
233.10703	0.8
234.11388	0.6
235.08609	1.4
235.12273	1.0
237.10115	1.3
237.13812	3.2
238.14575	0.7
239.11716	0.5
239.15356	1.2
240.12578	0.3
247.08650	0.8
247.12360	0.6
248.09589	0.6
248.12910	0.3
249.07819	0.3
249.10197	2.6
249.13782	1.6
250.10909	0.7
251.08026	0.6
251.11673	1.0
253.13405	0.4
261.10193	0.3
263.08105	0.6
265.09708	0.8
265.13245	0.8
267.87628	0.3
269.12711	0.6
270.13504	0.5
273.13635	0.3
275.07986	0.6
275.12051	0.3
275.15347	1.0
276.16156	0.5
277.09564	1.7
279.11340	0.4
293.09158	0.7
293.12689	0.4
299.14392	0.4
300.14896	0.6
305.09244	0.3
307.10901	0.5
308.11884	0.5
309.12543	0.6
311.13928	0.6
312.11295	0.4
314.12842	1.0
314.16165	0.4
322.13486	0.4
323.10352	0.5
323.14236	0.5
324.14883	0.8
325.12115	0.4
326.12903	0.7
327.13474	0.5
328.14374	0.5
334.14090	0.3
336.11292	0.6
337.11832	1.8
338.12778	1.2
338.16443	0.6
339.13803	0.5
340.14377	0.9
342.16183	0.4
350.12881	0.8
351.13675	0.9
352.14377	1.0
353.15286	0.6
354.12210	0.6
354.15912	1.1
364.14496	0.6
365.15302	0.3
366.16034	1.8
367.13159	0.4
368.13840	0.8
373.14920	0.4
380.13953	0.7
381.10724	0.6
382.07339	0.3
382.11444	0.7
382.15695	0.6
384.14029	0.5
387.16150	0.9
388.16943	0.6
389.17789	0.6
390.15674	0.5
394.15536	0.9
396.13052	1.4
397.13968	0.6
398.15372	0.4
400.17780	0.4
401.18155	1.5
402.18970	1.6
403.14734	0.4
403.19699	1.4
411.15839	0.5
412.16632	0.4
413.18179	0.4
414.14972	0.9
415.14655	2.1
415.19656	0.9
416.15417	1.8
416.20734	0.9
417.16809	1.6
417.20834	1.6
418.17685	0.4
424.12659	0.4
426.18164	0.8
428.16843	1.0
429.16925	3.3
430.17615	2.1
431.17789	3.4
431.23169	1.1
432.18521	0.6
432.23740	0.5
433.19971	0.4
442.18704	0.4
443.19177	2.4
444.19931	1.6
445.20206	4.1
446.20758	3.7
447.21707	3.4
454.17432	1.8
457.16257	1.0
458.16226	0.4
458.21494	0.5
459.22379	5.7
460.22891	1.8
461.23499	0.5
471.17706	1.6
472.18332	1.6
473.19461	1.6
473.24283	0.8
474.20251	1.3
474.25320	0.5
475.21185	2.3
476.21631	0.4
477.18173	0.3
486.20401	0.4
487.21313	9.3
488.22043	1.9
489.18393	0.6
501.22803	3.6
502.23376	1.1
503.20129	1.5
504.21503	0.9
514.19647	0.4
515.14001	0.3
515.20453	1.8
517.22632	0.7
518.22626	1.0
519.24060	3.1
529.22119	2.8
531.20447	1.3
533.25616	3.8
534.22412	2.6
535.23096	0.5
545.25171	0.4
546.22870	0.7
547.23303	2.8
561.24860	100.0
562.25256	6.9
563.22552	0.4
589.24359	10.1
590.24719	1.0
593.27679	0.9
621.26941	55.4
622.27258	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	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
69.07069	0.9
90.92004	0.8
98.23478	3.7
113.81682	1.0
158.74527	1.1
161.31689	0.9
213.64977	0.8
229.58109	1.0
297.33560	0.9
388.16983	1.2
389.17673	2.4
390.18170	1.8
401.17044	1.3
402.18573	1.7
403.19443	4.7
404.19778	2.7
405.20847	1.9
409.10587	1.0
415.18890	1.3
417.17062	3.9
417.21500	1.9
418.21774	1.5
419.22150	7.9
431.17798	5.7
432.18997	2.3
433.20084	2.1
443.18579	1.3
445.20264	4.2
446.20618	7.1
447.21686	11.0
459.21396	3.2
460.22668	1.6
461.19580	1.8
473.19528	0.9
473.22830	1.0
474.19940	5.9
475.21231	9.4
487.21259	2.9
488.21661	1.4
491.20541	1.5
501.22067	2.1
533.25287	13.8
534.24963	1.4
561.24542	33.5
562.25659	2.2
589.23853	3.9
593.27478	3.6
621.26923	100.0
622.27002	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	621.2697
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.75898	0.2
60.83911	0.2
71.83627	0.2
79.05453	0.3
88.31794	0.2
91.05401	0.3
94.06557	0.5
108.07986	0.2
118.06464	0.8
120.08092	1.1
122.09579	0.3
132.07977	0.4
138.05447	0.4
144.11017	0.3
146.05954	0.4
158.09634	0.4
159.09106	0.5
164.07037	0.3
168.08037	0.6
170.09575	0.3
172.03903	0.5
173.10619	0.5
180.07939	0.2
181.08748	0.3
182.08276	0.3
182.09668	0.4
183.09160	0.6
189.07147	0.2
192.73776	0.2
194.08099	0.7
195.09116	0.7
196.09862	1.2
197.10667	0.9
198.11331	0.3
204.06480	0.5
207.09122	0.9
208.09859	0.9
209.10687	1.9
210.11426	2.4
211.08554	0.4
211.12201	1.3
212.13004	0.7
213.09944	0.2
219.09155	0.5
220.09831	0.7
221.10672	1.9
222.11363	1.2
223.08626	1.0
223.12224	3.0
224.12943	1.3
225.10287	0.5
225.13803	5.3
226.14624	1.3
233.10712	0.5
234.11415	0.7
235.08676	1.3
235.12187	1.6
236.09325	0.6
236.13094	0.5
237.10260	1.3
237.13818	3.6
238.14505	0.7
239.11766	0.4
239.15297	1.1
247.08580	1.0
247.12215	0.7
248.09502	0.6
248.13121	0.3
249.10172	3.1
249.13861	2.1
250.10878	0.7
251.08090	0.7
251.11642	0.7
251.15443	0.3
253.13258	0.4
259.12225	0.3
261.10117	0.4
261.13766	0.4
263.08075	0.9
264.12622	0.3
265.09619	0.7
265.13287	0.7
267.11288	0.3
269.12802	0.9
270.13602	0.5
273.13696	0.6
275.08273	0.3
275.11874	0.4
275.15308	0.9
276.08783	0.6
276.16190	0.7
277.09686	1.6
277.12561	0.3
279.11127	0.3
281.09210	0.3
285.12457	0.5
286.13281	0.5
293.09222	0.6
293.12701	0.4
295.10706	0.5
296.12122	0.4
298.13358	0.3
299.11182	0.3
299.14450	0.3
300.11264	0.4
300.14911	0.4
305.09088	0.6
308.11676	0.6
309.12561	0.5
311.14185	0.7
312.11212	0.3
312.14706	0.4
314.12936	0.6
314.16238	0.6
315.13995	0.3
316.14417	0.3
322.13370	0.7
323.10519	0.4
323.14124	0.5
324.11429	0.5
324.14783	0.5
325.12106	0.6
325.15735	0.4
326.12836	0.8
328.14355	0.5
335.10226	0.5
336.11191	0.6
336.14835	0.3
337.11850	2.1
337.15543	0.3
338.12738	1.3
339.13681	0.5
340.14423	0.7
342.15964	0.6
344.13776	0.3
350.12823	0.9
350.16730	0.3
351.13519	1.1
352.10568	0.4
352.14349	1.4
353.11536	0.4
353.15262	0.4
354.12119	0.4
354.16037	0.8
355.16904	0.4
364.14478	0.4
366.12140	0.3
366.16104	1.6
367.12939	0.4
367.16998	0.4
368.13687	0.6
368.17807	0.4
374.15988	0.4
376.13940	0.3
378.16177	0.5
379.12732	0.3
380.13834	0.9
381.14777	0.3
382.11441	0.4
382.15704	0.6
387.15961	1.3
388.16800	0.7
389.17490	0.8
394.15417	1.0
395.12399	0.4
396.12943	1.2
396.17661	0.5
397.13766	0.3
398.14844	0.5
399.17111	0.4
400.17371	0.6
401.13177	0.5
401.18066	1.9
402.18939	1.4
403.14615	0.4
403.19727	1.5
411.15744	0.6
412.16266	0.9
413.17453	0.4
414.14679	0.9
414.19495	0.4
415.14639	1.9
415.19357	1.2
416.15454	1.5
416.20660	0.8
417.16794	1.6
417.20850	1.4
418.17511	0.6
422.15027	0.4
424.12222	0.5
425.17361	0.3
426.18219	0.7
428.16721	0.8
429.16898	3.5
430.17795	2.2
431.17685	3.8
431.23004	1.2
432.18521	0.5
432.23508	0.6
433.20081	0.7
439.15128	0.3
440.15289	0.3
442.13327	0.4
442.18573	0.7
443.18951	2.8
444.19678	2.9
445.20172	4.0
446.20581	3.6
447.21686	3.7
448.22284	0.4
454.17630	2.2
455.17889	0.3
457.16241	1.0
457.21289	0.5
458.20926	1.0
459.22433	6.7
460.22806	1.8
461.23035	0.8
470.19919	0.3
471.18054	1.3
472.18311	1.6
473.18463	0.7
473.23282	2.1
474.20154	1.0
474.24905	0.5
475.21075	2.5
476.21671	0.5
486.20435	0.6
487.21375	10.5
488.22296	1.7
489.23190	0.5
490.23337	0.4
491.24628	0.3
501.22913	3.7
502.23230	1.0
503.20609	1.8
504.21353	0.7
505.24078	0.3
509.27072	1.0
515.20862	2.3
517.21918	1.0
518.23340	1.1
519.23962	3.3
529.22412	2.7
531.20251	1.0
532.20758	0.7
533.25378	3.5
534.22162	2.7
545.24780	0.3
546.22278	0.6
547.23376	2.7
557.21735	0.4
561.24860	100.0
562.25183	6.4
585.19476	0.3
589.24384	9.7
593.27692	1.3
621.26929	63.6
622.27344	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2694
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.07745	0.7
69.38132	3.3
69.88237	0.6
76.10085	0.6
139.55208	0.7
223.12163	0.7
266.06610	0.7
298.13098	0.9
387.16211	1.1
388.16757	1.6
389.17630	4.1
390.18552	1.7
391.19379	0.7
401.17603	1.9
402.18506	2.5
403.15073	0.9
403.19299	7.6
404.19748	3.4
405.20737	2.9
415.19461	1.8
416.15723	1.7
416.20630	0.9
417.15976	6.1
417.21091	4.2
418.17191	1.5
418.21988	1.4
419.22363	10.5
420.22995	0.9
429.17087	1.1
430.17694	1.5
431.18036	10.2
431.23630	1.0
432.18961	5.2
433.20099	4.0
443.18503	1.0
444.19873	1.2
445.20047	9.7
446.20761	10.0
446.25952	0.9
447.21655	17.9
448.21994	1.1
459.21884	3.6
460.22717	1.2
461.19595	1.8
463.21326	0.8
473.19598	2.6
473.24548	1.2
474.20270	11.3
475.21143	14.8
476.21463	1.0
478.23615	1.3
487.21201	5.0
488.21725	1.6
491.21091	2.8
501.23215	3.2
505.25754	2.3
517.46411	0.7
518.22961	1.5
529.22156	1.1
533.17334	1.3
533.25446	25.1
534.25696	2.2
561.24908	32.8
562.25146	2.7
565.27979	0.9
589.24298	1.1
593.27405	5.9
594.27655	0.9
621.26941	100.0
622.27283	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	621.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11415	0.8
69.22558	1.8
69.22945	2.0
99.72517	0.7
109.79453	0.8
131.73459	0.7
136.04865	0.8
144.07979	0.8
184.17163	0.8
374.15137	1.5
375.16052	0.9
387.16281	1.2
388.16708	1.2
389.17572	4.7
390.18451	2.7
391.19302	0.8
401.17886	1.1
402.18515	2.0
403.19205	7.7
404.19974	3.4
405.20743	2.6
415.19382	1.3
416.16269	2.5
417.16910	5.1
417.20975	3.7
418.21643	2.5
419.22247	11.5
420.22879	0.9
429.16800	1.2
430.17783	2.0
431.18079	10.3
432.19330	3.3
433.20071	1.8
445.20261	8.1
446.20953	5.2
447.21695	12.3
457.20474	0.9
459.18091	2.6
459.23077	0.9
460.18369	1.1
472.92126	0.9
473.19818	2.5
474.20096	9.7
475.21219	15.9
476.21420	1.1
487.21274	4.2
488.22144	1.7
501.22778	2.8
518.22760	1.1
529.21881	1.3
533.25476	12.5
534.26508	0.9
546.22815	1.0
561.24878	81.5
562.25165	4.9
589.24188	2.5
593.27747	3.2
621.26935	100.0
622.27332	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	621.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72650	3.7
55.05488	7.0
57.07069	11.4
67.05489	9.3
69.07053	14.7
69.37918	17.4
79.05475	8.6
81.07038	25.3
82.36754	2.9
82.71948	3.2
83.08645	5.4
85.02885	16.9
88.97875	3.7
89.06026	8.4
91.05465	7.0
93.07026	8.1
95.08601	24.6
96.82619	3.6
104.10736	4.8
106.04189	4.2
107.04977	3.7
107.08551	3.8
109.10137	13.9
111.04452	6.4
113.02360	90.5
121.06503	7.4
123.11691	46.3
133.08640	4.4
133.67461	4.1
135.04384	4.6
135.11618	6.7
137.05959	5.6
137.13223	5.4
137.69055	4.0
139.03903	7.0
149.05971	5.0
151.03876	6.6
153.05409	30.5
161.05959	8.1
162.03108	7.1
163.03941	8.0
165.05467	54.2
167.03358	15.7
167.07001	6.5
173.06017	4.6
177.05472	27.5
179.03395	15.1
179.06856	4.6
179.17944	5.2
181.04965	4.7
182.02040	3.7
189.05426	14.7
190.02556	7.7
190.06204	3.6
191.06964	6.3
191.17841	5.8
192.04109	6.9
193.04918	16.2
195.06435	4.7
195.08098	5.3
197.04445	12.6
197.06070	4.0
198.06570	7.6
199.07469	7.9
201.05490	5.9
203.06952	6.0
205.04953	53.1
206.05287	4.3
207.06448	40.9
211.07504	5.5
213.05449	5.6
215.67151	3.3
217.04895	17.8
217.12122	3.6
219.06483	14.5
221.06010	3.9
221.08101	4.0
221.11630	4.4
224.04869	4.4
225.05424	3.9
227.06898	7.7
229.04959	6.6
231.06479	11.9
233.04576	4.6
233.08018	4.9
233.11734	4.4
235.05981	16.0
235.09494	6.9
237.05453	5.9
238.06100	4.3
239.07021	11.4
241.04942	8.6
241.08588	6.7
243.06570	4.4
245.04236	5.0
247.02435	5.7
247.05977	15.2
249.05383	7.1
249.07628	11.8
252.07738	3.7
255.06447	12.1
257.04263	4.5
257.85953	3.7
259.09668	9.0
263.07202	4.8
264.07883	4.6
265.07062	6.0
266.05768	5.1
267.06461	14.9
269.08176	8.5
270.08939	3.6
271.05939	9.0
272.06686	5.5
273.11133	4.3
277.07010	24.2
277.17978	4.2
279.06470	4.7
280.07193	5.9
281.07895	12.8
281.65799	4.1
283.01877	38.1
283.05820	7.4
284.06628	4.0
285.07404	6.2
287.08997	12.8
289.06952	5.3
289.17810	15.3
291.06332	8.8
293.07974	11.0
297.07590	6.7
299.09061	7.4
301.07095	21.2
303.15845	7.0
308.06732	16.5
309.07547	23.2
311.05493	8.8
311.08978	7.4
312.06238	4.4
313.10464	4.8
315.08603	41.6
316.09329	41.1
317.09985	6.0
319.05838	5.0
320.06589	5.7
321.07434	5.1
323.09210	6.3
325.07004	9.1
325.10510	5.3
326.07797	8.9
327.08560	14.4
329.17429	7.3
330.10794	5.5
335.09134	6.6
336.06241	9.7
337.07031	26.7
338.07697	4.5
339.28937	4.6
341.10172	14.7
341.17215	6.6
351.08557	44.4
353.10153	10.2
354.07327	6.3
358.13995	8.4
365.06296	7.2
369.09589	41.8
371.18488	15.7
379.08124	36.8
381.09503	5.3
384.15265	7.1
386.17261	4.2
397.09082	100.0
401.12228	14.9
409.09201	4.5
411.10574	27.5
423.10553	4.1
429.11737	83.1
439.14850	6.6
439.21017	56.5
440.21805	35.1
461.19553	6.7
465.15259	12.9
493.21902	10.0
497.17654	9.3
508.28189	45.4
521.21313	14.9
522.21490	4.2
535.23248	34.7
553.24585	5.6
558.04651	4.8
565.24561	5.1
589.27631	16.5
603.29510	19.8
621.30151	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	622.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	6.4
69.07062	14.6
69.27242	24.1
79.05487	5.8
83.01340	4.9
85.21513	4.0
95.08620	8.5
107.92787	4.0
109.10159	22.3
114.97575	3.7
121.06509	4.4
121.10123	6.3
133.02876	7.4
133.10155	3.9
149.02419	4.2
162.03128	9.3
177.05389	8.3
180.36859	3.9
189.05490	6.4
190.02592	27.4
193.04956	38.2
203.03276	4.4
205.04933	100.0
206.05360	9.0
207.06537	6.3
209.45667	3.8
219.06567	12.7
219.90121	4.0
231.10118	4.8
271.09616	6.4
273.11227	14.3
286.25333	4.3
327.15878	15.1
337.06848	4.9
351.08902	5.3
353.10278	4.8
397.09195	14.5
519.19824	26.9
587.26031	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	622.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28518	1.7
57.12906	1.5
63.46405	1.9
65.90737	1.6
67.05492	4.5
69.07052	4.0
69.66224	5.1
80.82800	1.7
81.07047	2.7
84.75520	1.7
86.95535	1.7
93.07036	4.0
93.12653	1.7
107.08582	3.0
109.10127	16.3
121.06501	4.3
121.10091	2.3
133.02901	5.3
135.11678	4.1
149.05978	2.8
162.03061	9.0
177.05400	2.6
190.02628	18.4
192.47720	1.7
193.04941	49.7
205.04936	100.0
207.06586	3.4
219.06555	7.4
233.08101	2.6
237.43695	1.9
259.09735	3.0
261.11215	2.6
273.11353	2.7
277.95474	1.8
285.11151	3.0
297.11127	2.5
311.12939	2.3
313.14093	1.9
325.14267	2.2
327.15909	14.8
339.15826	5.6
395.22128	5.4
409.10034	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	623.158
Annotation	6''-(2-Hydroxy-3-methyl-3-butenyl)amentoflavone
Peak:m/z	Relative Intensity
56.28356	0.4
69.03415	0.5
70.06583	0.7
70.58964	1.0
74.85555	0.5
85.02911	0.9
86.09737	0.7
100.44892	0.5
105.78696	0.6
109.23457	0.5
115.03914	0.5
116.98582	0.7
120.08154	1.4
148.57513	0.6
152.55583	0.6
227.02322	1.2
270.55396	0.5
333.05038	0.9
347.06381	2.7
411.28876	0.5
425.47186	0.6
458.98300	0.6
461.13446	1.0
490.63480	0.6
623.15784	100.0
624.16003	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95814	2.8
67.35748	3.1
70.08501	5.2
116.67346	3.0
125.66426	2.8
129.01564	3.3
137.06004	4.6
145.08601	7.3
149.40730	3.2
160.16302	3.4
164.08542	2.9
354.78247	3.4
363.08810	5.9
623.18793	35.3
623.30023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1885
Annotation	DIOONFLAVONE
Peak:m/z	Relative Intensity
69.08884	40.2
84.90128	6.3
108.61868	6.5
124.72270	5.3
136.41205	5.1
138.36258	5.8
142.71771	6.1
166.44054	6.2
200.10966	5.1
232.06940	9.7
249.53969	5.5
276.58691	5.6
292.61798	6.3
358.82974	5.3
455.63251	5.7
591.19354	8.6
623.19476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.6
69.06771	6.1
69.07192	6.2
70.06585	3.3
72.08160	1.7
85.02876	2.1
90.58888	1.5
104.78629	1.6
112.64922	1.5
131.04955	1.7
137.05943	1.9
161.35683	1.7
194.73814	1.6
205.04810	6.3
218.05644	2.3
219.06364	3.4
234.08630	23.2
247.09798	1.8
268.09982	2.1
287.05646	1.8
375.37152	1.7
381.11752	6.4
386.07953	1.8
395.13031	13.2
461.18018	9.9
623.23132	100.0
624.23193	6.8
654.18695	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.9
56.18676	0.6
65.99439	0.7
67.05474	1.9
69.03391	2.1
70.03654	1.3
70.04035	1.2
71.04980	35.5
71.63776	0.6
71.78323	0.6
81.03383	2.7
81.07027	1.3
85.02872	2.5
85.06532	7.2
89.03897	1.1
91.05439	1.2
91.67967	0.6
93.07001	1.2
95.04943	1.8
95.08587	0.9
97.02861	2.8
99.04447	0.9
105.06998	0.7
107.08564	0.8
109.02854	2.4
109.10139	0.9
113.05975	6.1
116.04147	1.2
116.04955	15.6
121.02846	11.0
127.03875	2.7
127.07535	18.5
131.07010	7.0
133.10110	0.8
141.05330	0.7
145.04904	1.8
145.08569	100.0
147.41237	0.7
155.07018	2.2
160.12997	0.7
165.09079	1.0
173.08072	1.7
185.07954	0.8
191.09126	3.7
228.19643	0.7
254.08067	1.4
257.10266	2.3
276.05359	0.6
299.11197	1.3
303.45218	0.6
317.12268	1.9
335.13409	0.9
347.09564	1.6
363.09045	2.3
371.86258	0.9
380.25427	0.9
431.59402	0.7
568.65558	0.8
623.30316	46.4
624.30200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48087	1.0
69.52723	4.7
72.45876	1.0
79.05537	1.1
81.07043	1.2
89.95514	1.0
91.05454	1.4
109.24209	1.0
129.25290	1.1
133.64037	1.1
155.86052	1.1
174.61568	0.9
185.10750	1.1
377.17291	1.5
389.17862	1.4
391.19131	3.9
392.19952	1.8
393.20660	2.5
401.17508	2.1
405.21164	2.4
406.21567	1.7
407.22150	4.3
414.18704	1.6
415.19135	4.6
419.18512	1.3
421.20123	1.3
423.94504	1.1
429.16293	1.7
431.18594	1.5
433.16025	2.4
435.21643	1.5
443.22772	2.6
444.19714	2.5
445.20676	2.7
446.21570	1.5
447.17664	1.8
447.22339	1.7
448.18658	1.5
457.20187	2.3
458.21350	1.5
459.17935	1.7
461.19659	3.8
462.20697	1.5
463.20837	2.1
471.22083	3.1
472.22467	1.3
473.19040	2.1
474.20239	2.9
475.22214	1.4
484.19360	1.5
485.19882	2.7
486.20590	2.2
489.18488	3.2
489.22742	4.7
490.19955	3.8
491.20575	3.4
499.21478	10.9
500.18188	1.4
501.22604	3.8
502.19238	2.0
503.21417	2.0
507.23904	1.9
508.24225	1.7
513.19366	3.5
517.22388	16.1
527.20636	3.0
529.22211	6.8
531.20380	3.7
535.23315	2.7
545.21716	27.6
546.22028	2.1
563.23383	2.6
564.23383	3.8
573.21240	10.3
577.24402	5.2
591.22339	3.9
605.23846	46.8
606.23737	1.7
623.24872	100.0
624.25281	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	623.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	2.0
55.05499	4.1
67.05472	8.6
68.02829	1.8
69.07047	2.4
69.57741	8.0
79.05461	8.6
79.99427	1.9
81.03393	10.1
81.07046	7.5
91.05458	4.8
93.07034	4.8
95.04945	2.6
95.08584	4.6
105.07008	4.4
107.08535	2.5
109.10129	2.3
121.10139	3.1
129.06941	3.8
131.08577	3.0
133.10112	2.3
134.00998	2.6
135.11601	2.0
146.42935	2.0
173.05942	2.8
188.56226	2.2
299.10745	1.8
377.17505	2.6
389.18201	2.5
390.18491	3.6
391.19107	4.4
401.17831	3.0
403.19284	2.8
407.22025	3.8
415.18875	7.6
428.19794	2.8
429.20883	4.6
431.22330	3.1
443.22739	4.4
444.19150	3.2
445.20038	3.8
447.17947	5.5
456.19434	2.7
461.19287	4.1
462.20239	2.9
471.21451	8.9
473.19080	2.8
474.20554	2.7
475.21063	7.1
476.21234	2.2
485.19598	3.7
486.20071	3.9
489.22122	7.9
490.19418	4.4
499.21304	16.2
501.22556	5.4
503.20508	4.7
507.23578	4.5
513.19098	4.2
517.22156	10.2
529.22266	11.3
535.22949	3.5
545.13965	3.1
545.21722	53.0
546.22034	3.8
555.20313	2.8
563.24072	2.3
564.25641	1.9
570.72552	2.3
573.21210	16.4
574.21594	2.5
595.25763	2.7
605.23798	100.0
606.24255	10.2
623.24841	79.4
623.41644	8.8
624.25146	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	623.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	1.4
69.03435	0.8
71.04982	5.3
71.78323	0.5
73.45056	0.6
77.92612	0.5
79.05484	1.8
81.03409	0.9
81.07037	1.7
85.02901	1.7
85.06516	0.8
91.05457	0.9
92.05817	0.6
93.07048	1.9
95.04968	1.0
95.08598	1.6
95.30357	0.5
96.01894	0.6
97.02898	0.8
97.10120	0.5
97.37955	0.5
98.49512	0.6
105.07003	0.8
107.04943	0.7
109.02847	0.6
109.10163	0.8
113.05966	0.7
116.04971	4.1
121.02836	2.2
127.03925	0.6
127.07541	2.4
131.04929	0.6
131.07045	1.4
135.04395	1.1
145.08583	11.1
146.09030	0.6
151.07545	1.2
161.05965	2.2
165.09126	0.6
177.09079	6.0
204.07578	3.6
221.11740	1.0
223.09418	1.3
238.69897	0.6
243.08376	17.7
263.12531	6.9
281.17474	2.5
344.71167	0.6
441.17096	1.0
461.21356	1.8
623.26550	100.0
624.26636	6.5
641.92120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88025	0.3
69.10847	2.5
74.34848	0.4
98.23424	0.9
187.04434	0.4
195.09087	0.4
197.10625	0.5
209.10748	0.7
221.10699	0.6
223.12315	0.8
237.13889	0.5
238.14795	0.5
251.15604	0.5
300.14981	0.4
363.16190	0.6
374.16669	0.6
375.16272	0.4
376.16812	0.7
377.17657	1.6
378.18393	1.1
386.15433	0.4
388.17847	0.5
389.18161	1.1
390.18573	1.5
391.19247	4.0
392.19888	3.5
393.20544	2.1
399.16171	0.7
400.16953	1.4
401.17572	1.5
402.18903	0.6
403.19531	1.7
404.20428	1.8
405.20941	6.0
406.21359	4.9
407.22244	11.9
408.22711	0.8
413.17822	1.4
414.18463	2.0
415.19156	3.7
416.20410	0.9
417.20840	1.1
418.21826	0.9
419.18198	1.2
419.23102	2.3
420.22974	2.5
421.23859	10.8
422.24329	2.0
427.19223	2.2
428.20245	1.9
429.20956	6.5
430.22195	1.9
431.18481	1.5
431.23096	0.9
432.23563	0.5
433.19684	2.2
433.24405	1.7
442.21936	0.5
443.22833	3.6
444.23694	2.0
445.20068	2.6
446.20905	1.3
447.18243	2.4
448.18509	0.6
455.18643	0.5
456.19278	0.6
457.23837	1.9
458.24838	2.1
459.22256	3.1
460.23337	1.7
461.19061	5.8
462.20078	2.3
463.21115	1.0
471.22028	1.0
472.23080	1.8
473.19885	1.3
474.20416	1.0
475.21039	6.2
476.21637	3.8
477.22433	2.5
478.23392	0.5
483.18546	0.5
484.19028	0.8
485.23761	3.5
486.20313	1.1
487.21246	1.4
488.21786	1.8
489.22781	3.3
493.26056	0.6
499.21167	4.0
500.21887	1.0
503.24506	6.2
504.24631	0.6
505.22153	0.6
508.28458	0.6
513.22797	1.3
514.23340	0.5
515.24854	0.8
517.23395	1.1
517.25867	1.3
518.23083	0.8
521.25391	1.2
531.23950	0.5
535.27057	3.7
545.25378	19.3
546.25720	1.6
559.23047	0.6
563.26538	1.6
564.27069	1.4
573.24786	5.1
574.25000	0.6
577.28174	1.6
591.25854	4.2
605.27460	16.7
606.27704	1.2
623.28491	100.0
624.28839	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26073	0.4
64.85265	0.4
203.33972	0.4
221.46039	0.5
238.12553	0.5
305.72003	0.4
353.25732	0.5
376.06357	0.5
377.17383	0.6
389.18967	1.1
390.18848	0.6
391.19196	1.4
399.16315	0.5
400.16968	0.5
401.17734	1.2
403.19543	1.2
404.20596	0.9
405.20798	3.8
413.17322	0.7
414.18649	0.8
415.19080	3.4
416.19910	0.6
417.20676	1.1
419.17929	0.6
419.22678	1.4
420.22986	2.4
421.24051	2.1
427.19168	1.1
428.20148	1.3
429.20779	4.1
430.21707	2.3
431.18079	0.6
431.22900	0.7
433.19290	3.2
433.24963	0.9
434.25119	0.7
442.21594	1.2
443.22409	1.6
444.22922	1.7
445.19662	2.0
447.17245	3.3
448.22787	1.1
455.18808	0.5
456.19485	0.6
457.24323	4.2
458.20322	0.7
459.21542	4.0
460.22659	3.9
461.19449	11.0
462.20782	0.5
463.74176	0.5
470.21283	0.7
472.22766	2.8
473.19830	1.3
474.20319	0.8
475.20746	4.4
476.21945	13.9
477.21725	0.6
477.26450	1.7
485.23456	12.9
486.19894	3.1
487.19968	0.8
487.25461	1.2
488.21951	2.3
489.22998	2.0
492.25024	0.6
493.22119	0.5
497.23605	1.1
500.22244	1.7
502.23801	0.8
503.24286	13.1
504.23471	0.8
505.22699	1.3
513.22919	2.4
515.24347	11.1
519.23810	0.9
521.25433	12.0
531.23853	26.3
532.24170	1.8
534.22980	0.5
535.23517	1.9
541.22040	0.8
545.25360	0.8
549.24915	17.4
550.25330	1.0
559.23285	10.1
560.23694	0.5
563.26459	2.2
564.26904	2.4
591.25958	44.5
592.26276	3.3
623.28546	100.0
624.28827	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	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78465	0.4
57.53196	0.4
57.85197	0.4
98.22701	1.3
121.10126	0.4
127.54314	0.4
171.22795	0.5
225.13921	0.6
387.93231	0.5
389.18561	0.9
390.18652	0.6
391.19226	1.1
392.20041	0.6
399.16116	0.7
400.17142	0.9
401.17648	1.5
402.19232	0.6
403.19641	1.3
404.20779	1.1
405.20667	3.4
406.21387	0.8
413.17422	0.9
414.18726	0.9
415.19000	2.9
416.20651	0.8
417.20862	1.2
418.21515	0.9
419.17993	1.1
419.22659	1.3
420.23022	1.8
421.23798	1.9
427.18967	1.1
428.20251	0.9
429.20792	3.9
430.21671	2.4
431.18536	1.6
433.19440	3.8
442.21622	1.0
443.22235	1.3
444.23251	2.1
445.19617	2.5
446.21378	0.8
447.17480	4.3
448.22424	1.9
449.23608	0.5
456.19421	0.7
457.24109	3.8
459.21722	3.4
460.22806	3.7
461.19366	11.6
462.19916	0.7
470.21048	0.7
472.22720	2.5
473.19293	1.1
475.20682	2.9
476.21869	14.8
477.22458	1.6
485.23456	11.0
486.19650	3.5
487.20413	0.9
487.25729	0.9
488.21866	2.7
489.22906	2.2
492.25031	0.7
493.26157	0.7
497.23334	0.7
500.22141	1.9
502.24353	0.6
503.24387	12.0
505.22754	0.8
507.23886	0.6
513.22559	1.2
515.24359	9.2
516.24652	0.5
518.23022	0.6
521.25415	10.7
522.25751	0.7
531.23865	21.3
532.24200	1.8
535.24121	1.4
536.23712	1.3
541.22168	0.7
545.25244	1.9
549.24908	15.7
550.25055	1.4
559.23334	7.8
563.26001	3.2
564.26868	1.7
591.25879	46.4
592.26208	3.5
623.28473	100.0
624.28674	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	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35868	0.8
65.28771	0.7
69.10716	5.4
80.01427	0.8
98.23505	1.7
115.63234	0.7
130.15794	0.8
153.87491	0.8
191.97899	0.8
214.51846	1.0
378.18198	1.0
391.19263	2.1
392.19971	1.8
393.20560	1.3
401.18054	0.9
404.20499	1.1
405.20844	3.1
406.21463	2.8
407.22238	8.6
413.17587	2.3
414.18628	1.7
415.19092	3.6
417.21301	1.4
419.22604	1.1
420.23398	1.5
421.23792	7.5
422.24454	2.7
427.19354	1.2
428.20044	2.0
429.20859	8.4
430.21344	2.3
431.22839	1.1
443.22379	4.2
444.23291	5.5
457.24435	3.9
458.24875	6.6
459.21695	6.2
460.22479	2.2
461.19092	3.6
472.22577	6.7
473.23361	1.9
475.21091	5.5
476.21591	3.7
477.22839	3.4
485.23355	13.9
486.19574	1.6
486.24185	3.9
487.21454	1.2
488.22141	1.2
489.22818	2.3
499.21109	2.9
500.22293	3.2
502.23157	1.3
503.24387	7.5
508.28491	1.4
513.22760	3.3
514.23413	1.7
515.24597	1.8
517.26263	7.9
519.24445	1.0
529.25958	1.2
535.26898	3.2
545.25360	84.8
546.25732	5.6
547.26959	1.0
563.25928	1.0
564.27393	1.8
573.24811	19.3
574.25616	1.3
591.25873	2.2
605.27490	100.0
606.27509	5.8
623.28510	84.1
624.28632	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44732	2.5
60.93279	2.3
69.44524	11.6
111.74638	2.3
153.88969	2.6
158.98724	2.5
403.19449	3.5
403.94052	2.7
433.20068	3.9
444.18744	2.9
445.20203	3.9
458.21158	7.1
459.21515	4.7
460.22629	3.7
461.19910	2.8
472.84140	2.8
518.23071	6.2
533.25409	11.6
563.26550	5.6
601.41992	3.2
605.27405	10.6
623.28479	100.0
623.38812	5.8
624.28967	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77749	0.4
67.05522	0.3
69.03436	0.3
70.64997	0.3
70.68652	0.5
71.04995	0.6
74.64629	0.3
80.70927	0.3
81.07056	0.3
87.20770	0.3
91.05460	0.5
95.01106	0.4
97.02921	0.4
105.07005	0.3
113.02106	0.3
119.08587	0.5
131.08609	0.3
137.05896	0.4
145.08600	1.7
165.09169	0.4
179.08557	0.6
185.04121	0.5
204.86201	0.3
221.13324	0.3
245.06268	0.3
259.07959	0.4
300.12961	0.3
305.08505	1.2
347.09619	0.8
363.08951	2.8
365.10641	1.3
461.25064	0.9
623.30273	100.0
624.30499	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	623.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01861	4.9
55.05504	20.2
57.03426	7.4
61.02924	23.5
67.05490	42.0
69.03403	8.0
69.07046	13.9
69.97117	6.1
71.04987	3.5
73.02910	9.0
76.35342	2.7
79.05475	27.7
81.03436	2.9
81.07043	38.1
83.04970	5.6
83.08606	11.0
85.02894	26.3
91.03954	10.4
91.05462	50.2
92.22806	2.8
92.27251	2.9
93.07046	25.6
95.04959	8.7
95.08589	28.1
97.02853	14.4
97.06497	4.5
98.23363	4.1
99.42874	3.1
105.07008	38.0
107.04953	8.3
107.08582	12.9
109.06502	4.9
109.10139	8.7
111.08162	5.1
115.05395	5.3
117.06993	27.4
119.08549	21.6
121.06493	4.3
121.10149	7.4
123.08036	4.7
127.03915	3.5
128.06223	8.0
129.06976	31.5
131.08539	41.7
133.06471	5.2
133.10141	14.2
135.08026	7.4
135.11684	3.6
141.06989	16.4
143.08554	30.4
145.04961	3.7
145.06502	8.6
145.10109	16.4
147.08049	4.4
147.11662	5.1
149.09618	4.3
155.08525	20.0
157.06491	4.8
157.10088	19.2
159.08057	4.8
159.11707	14.0
163.11153	4.7
165.07050	3.5
167.08545	11.1
169.10156	13.1
171.11688	7.4
173.09578	3.9
173.33371	2.8
179.08583	4.3
181.10075	7.5
183.07974	3.4
183.11702	9.0
185.13266	10.1
187.14825	3.3
193.10132	4.1
195.11681	12.6
197.09612	3.8
197.13306	6.6
201.12724	4.1
204.78374	3.6
207.11566	4.7
209.13252	8.9
211.14783	4.4
213.16368	3.5
215.14310	5.9
221.13261	8.4
223.14764	10.4
225.16422	3.0
235.14784	5.5
237.16562	3.8
239.14285	5.4
248.49898	3.9
253.15829	3.2
271.17023	4.6
315.20996	4.3
323.23602	6.2
333.22089	12.8
341.24637	10.0
351.23126	51.4
353.94614	3.9
369.07343	3.2
369.24149	33.7
382.46579	3.3
387.25143	17.1
425.27023	5.4
443.27823	100.0
461.28964	66.0
462.29041	3.7
529.22327	6.8
605.23413	9.7
623.23962	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	624.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
53.19232	1.7
55.01869	8.3
55.05498	2.3
57.03421	5.5
61.02908	3.8
67.05486	4.4
68.99784	2.1
69.03417	23.4
69.22821	7.8
71.04970	2.1
73.02896	3.5
76.64446	1.8
79.05482	4.2
81.03405	18.0
81.07047	3.9
85.02892	50.7
87.00822	23.7
91.05463	5.6
93.07011	3.4
95.04938	4.5
95.08582	2.1
97.02882	19.3
97.06497	1.6
99.04443	7.3
103.05424	3.1
105.01849	17.1
105.07051	1.7
107.04913	2.3
107.08608	2.9
109.02174	2.2
109.02869	14.6
109.10137	3.3
111.04397	2.2
115.03922	4.6
117.01804	2.5
119.04914	6.2
119.08598	2.4
123.04456	1.8
125.09608	1.5
127.03896	26.0
128.06183	2.1
129.01770	2.7
129.06987	5.8
131.04912	5.3
131.08530	1.6
133.10095	2.2
135.04393	63.6
135.08028	3.4
137.05969	9.9
137.09586	3.2
145.04958	10.5
147.04369	2.0
149.02321	4.7
149.05968	36.6
151.07526	7.9
157.06470	5.9
159.02859	9.8
159.04308	3.5
160.05141	1.9
161.05972	12.9
161.09650	1.8
163.07518	7.9
165.06966	1.9
165.09090	17.7
166.09402	3.8
167.05450	2.1
167.08528	6.3
173.05968	3.4
175.07544	7.1
177.09042	16.6
178.07687	1.9
185.05957	2.0
187.07565	2.0
189.09050	6.4
189.69196	1.5
193.06519	2.1
193.10117	4.3
195.08009	12.6
195.10019	3.7
203.06950	1.8
205.06529	1.9
207.10091	2.0
209.05933	2.2
209.08025	3.9
212.08257	1.7
219.04976	3.0
219.08020	1.8
219.10153	2.6
221.05894	4.1
221.09563	5.5
221.11571	2.5
223.07446	9.9
225.09018	11.9
227.10590	7.5
231.04926	2.8
233.09569	4.0
237.08940	3.1
249.09058	2.8
251.07002	6.0
251.10651	6.3
252.07570	2.1
253.08492	10.6
255.10115	8.5
261.09042	3.1
265.08688	3.4
267.06613	2.6
279.10074	3.5
282.08817	2.0
283.09741	15.0
285.11163	52.8
289.08511	2.9
291.09894	1.9
293.11694	2.2
295.09686	5.6
297.11234	13.4
303.10037	2.7
307.09631	3.0
308.10623	1.7
309.11166	7.9
311.12698	20.3
319.09348	1.8
323.12674	3.1
329.13776	100.0
330.14249	1.9
333.11258	2.1
339.12195	2.8
341.13794	31.5
347.12576	2.7
351.12057	2.8
353.13791	6.2
363.12015	1.9
365.13934	4.5
395.14850	3.1
419.14948	10.3
437.15671	5.7
505.14642	2.4
523.15845	2.7
541.16962	8.5
559.17822	4.1
572.02588	1.8
624.24542	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	624.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
53.19232	1.7
55.01869	8.3
55.05498	2.3
57.03421	5.5
61.02908	3.8
67.05486	4.4
68.99784	2.1
69.03417	23.4
69.22821	7.8
71.04970	2.1
73.02896	3.5
76.64446	1.8
79.05482	4.2
81.03405	18.0
81.07047	3.9
85.02892	50.7
87.00822	23.7
91.05463	5.6
93.07011	3.4
95.04938	4.5
95.08582	2.1
97.02882	19.3
97.06497	1.6
99.04443	7.3
103.05424	3.1
105.01849	17.1
105.07051	1.7
107.04913	2.3
107.08608	2.9
109.02174	2.2
109.02869	14.6
109.10137	3.3
111.04397	2.2
115.03922	4.6
117.01804	2.5
119.04914	6.2
119.08598	2.4
123.04456	1.8
125.09608	1.5
127.03896	26.0
128.06183	2.1
129.01770	2.7
129.06987	5.8
131.04912	5.3
131.08530	1.6
133.10095	2.2
135.04393	63.6
135.08028	3.4
137.05969	9.9
137.09586	3.2
145.04958	10.5
147.04369	2.0
149.02321	4.7
149.05968	36.6
151.07526	7.9
157.06470	5.9
159.02859	9.8
159.04308	3.5
160.05141	1.9
161.05972	12.9
161.09650	1.8
163.07518	7.9
165.06966	1.9
165.09090	17.7
166.09402	3.8
167.05450	2.1
167.08528	6.3
173.05968	3.4
175.07544	7.1
177.09042	16.6
178.07687	1.9
185.05957	2.0
187.07565	2.0
189.09050	6.4
189.69196	1.5
193.06519	2.1
193.10117	4.3
195.08009	12.6
195.10019	3.7
203.06950	1.8
205.06529	1.9
207.10091	2.0
209.05933	2.2
209.08025	3.9
212.08257	1.7
219.04976	3.0
219.08020	1.8
219.10153	2.6
221.05894	4.1
221.09563	5.5
221.11571	2.5
223.07446	9.9
225.09018	11.9
227.10590	7.5
231.04926	2.8
233.09569	4.0
237.08940	3.1
249.09058	2.8
251.07002	6.0
251.10651	6.3
252.07570	2.1
253.08492	10.6
255.10115	8.5
261.09042	3.1
265.08688	3.4
267.06613	2.6
279.10074	3.5
282.08817	2.0
283.09741	15.0
285.11163	52.8
289.08511	2.9
291.09894	1.9
293.11694	2.2
295.09686	5.6
297.11234	13.4
303.10037	2.7
307.09631	3.0
308.10623	1.7
309.11166	7.9
311.12698	20.3
319.09348	1.8
323.12674	3.1
329.13776	100.0
330.14249	1.9
333.11258	2.1
339.12195	2.8
341.13794	31.5
347.12576	2.7
351.12057	2.8
353.13791	6.2
363.12015	1.9
365.13934	4.5
395.14850	3.1
419.14948	10.3
437.15671	5.7
505.14642	2.4
523.15845	2.7
541.16962	8.5
559.17822	4.1
572.02588	1.8
624.24542	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63414	0.3
57.03427	0.9
63.02367	0.9
63.97429	0.3
68.99792	1.0
69.03425	0.5
69.39644	0.8
69.40055	0.8
71.01348	3.1
73.02896	1.0
79.05473	1.9
85.02895	5.0
89.03903	9.6
91.05440	0.4
92.45926	0.3
95.01296	0.8
95.04955	0.6
97.02879	1.1
101.02328	0.4
103.05428	0.6
107.04939	2.7
109.02886	0.6
110.03688	0.4
111.00822	0.4
111.04434	0.4
113.02362	1.6
115.05428	0.4
117.03362	10.1
121.02870	2.4
121.06410	0.4
123.04420	0.7
128.06221	0.4
129.07004	0.5
131.03424	1.7
131.04900	0.8
133.02823	0.5
135.04396	22.6
137.02293	1.2
139.05441	0.4
141.01830	1.7
141.06953	0.4
141.97931	0.4
143.04883	0.5
145.02824	15.1
145.06441	0.6
146.03589	0.5
147.04385	2.2
148.05164	2.7
149.05952	0.9
153.01817	2.6
155.04872	0.5
157.06465	0.9
159.02875	1.2
159.04356	0.7
161.05948	1.1
162.92079	0.3
163.03877	89.9
164.04222	1.4
165.01810	1.7
171.04382	0.5
172.05194	0.4
173.05981	1.6
175.03873	3.1
175.07474	0.5
176.04654	1.2
177.05423	0.9
181.04878	1.7
183.02838	0.7
183.04356	0.6
185.05942	1.5
186.05347	0.5
187.03925	0.7
189.05385	1.7
190.06250	0.9
191.03372	1.9
193.04955	1.0
197.05870	0.4
200.04649	1.5
201.05478	1.8
202.02556	1.2
203.03447	0.4
203.07051	0.6
205.04889	0.4
211.03796	0.4
213.05417	2.2
215.07010	0.4
217.04988	1.2
218.05708	2.2
219.06421	1.0
228.04141	0.6
229.04942	2.1
230.05255	0.5
231.06464	1.1
239.03291	0.6
241.04938	1.2
246.05197	19.2
247.05965	1.8
257.04370	3.6
258.05173	0.9
259.05975	2.4
269.04462	0.5
275.05432	1.6
277.06909	0.9
285.03806	3.7
286.04224	0.4
287.05450	100.0
288.05807	2.6
303.04996	1.0
321.05945	1.2
339.07013	6.8
463.08737	1.6
578.51569	0.4
625.27917	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1395
Annotation	Luteolin 7-glucoside-3'-glucuronide
Peak:m/z	Relative Intensity
53.03951	0.1
54.04200	0.1
54.64823	0.1
55.01870	0.3
57.03429	0.6
61.40683	0.1
68.99774	0.6
69.03410	0.5
70.17605	0.2
70.17953	0.2
71.01346	1.0
73.02903	2.0
79.05482	0.3
81.03396	0.2
85.02894	5.3
95.01316	0.6
95.04957	0.2
97.02886	0.6
99.00788	0.3
101.02348	0.2
103.03942	0.4
105.03348	0.2
107.04960	0.4
109.02832	0.2
111.00787	0.7
111.04446	0.1
113.02358	2.0
115.03887	0.1
117.05462	0.3
117.87045	0.1
121.02846	2.6
121.06454	0.1
122.06049	0.1
127.03881	0.4
131.03374	0.9
133.02844	0.5
135.04395	0.2
135.54927	0.1
137.02307	0.8
141.01813	0.9
145.04926	0.4
145.06534	0.2
147.04388	0.5
153.01808	3.1
157.06474	0.3
159.02855	0.7
165.01810	1.4
169.06274	0.1
171.04402	0.3
183.02853	0.9
185.05956	0.3
197.05981	0.2
213.05418	1.0
229.04919	0.2
231.06548	0.7
241.04863	0.6
258.05215	1.1
259.05948	0.3
281.04602	0.1
286.04578	0.3
287.05447	100.0
288.05774	2.3
299.05682	0.2
301.07117	0.1
301.11740	0.1
303.04855	0.9
427.06851	0.1
445.07736	0.2
445.15283	0.2
449.10706	4.8
449.16946	0.2
450.11108	0.2
463.08282	0.2
625.18469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1394
Annotation	Isoorientin 3'-O-glucuronide
Peak:m/z	Relative Intensity
57.03427	0.4
64.88292	0.2
68.99798	0.4
69.03419	0.3
70.56145	0.3
70.56482	0.4
71.01334	0.7
71.04973	0.5
73.02908	1.6
85.02402	0.4
85.02897	6.2
93.03394	0.3
95.01321	0.4
97.02896	0.3
99.00806	0.4
101.02350	0.3
103.03927	0.4
109.01172	0.2
109.02885	0.5
111.00780	1.0
113.02359	1.6
121.02902	0.5
123.04405	0.3
127.03951	0.3
131.03400	0.8
137.02353	2.6
141.01797	0.4
149.02313	0.3
153.01813	2.8
157.06517	0.3
159.02892	1.1
161.06055	0.3
163.03880	0.7
165.01854	1.9
173.06026	0.3
183.02858	0.9
187.03893	0.4
201.05414	1.3
219.06555	0.3
229.04950	3.6
240.54768	0.3
247.06042	0.8
257.04379	2.6
274.04718	0.6
285.03867	1.0
303.04956	100.0
304.05310	2.9
308.41464	0.2
397.69257	0.3
403.50116	0.3
449.10751	3.4
460.40302	0.3
479.08194	0.6
625.17004	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
57.03438	2.3
61.02917	0.6
62.20956	0.5
69.03398	1.3
70.56533	0.9
71.04986	10.9
73.02930	0.5
81.03403	1.0
83.04961	1.2
85.02895	15.8
87.04425	0.5
90.61925	0.5
92.02612	0.6
93.07973	0.4
97.02881	1.2
100.07602	0.5
100.11217	0.8
111.04385	0.8
121.02888	0.8
123.04404	0.5
127.03887	0.6
129.05475	3.5
137.05925	0.5
145.04935	1.1
147.06503	1.0
151.03857	1.6
153.01801	5.0
163.03819	0.5
165.01872	0.6
167.07095	0.7
175.07581	0.8
177.05434	2.2
182.15395	1.4
196.03508	0.5
201.05446	0.5
205.04738	0.7
210.14966	0.9
228.04164	0.7
229.04967	2.6
231.70206	0.5
245.04404	0.7
246.05258	0.7
257.04425	1.9
273.03821	1.6
274.04639	3.2
285.03864	4.0
286.04636	1.1
301.07034	1.3
302.04181	12.4
313.10953	0.5
317.06509	100.0
318.06784	3.5
341.13672	0.7
479.11890	0.9
589.77576	0.5
625.22272	0.9
625.42932	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1756
Annotation	Isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
50.59449	0.3
55.01849	0.3
57.03432	1.4
62.95314	0.2
63.21964	0.2
69.61732	0.9
71.04984	6.0
75.04446	0.2
85.02890	7.3
97.02847	0.5
98.22663	0.2
101.50389	0.2
104.22234	0.2
104.73386	0.2
110.03654	0.3
111.04379	0.3
117.30174	0.2
127.03857	0.4
129.05470	1.4
137.02315	2.2
137.03284	0.3
137.05925	0.3
138.41893	0.3
147.06485	0.4
151.03902	0.3
153.01816	1.2
165.01878	0.3
168.19041	0.2
176.04446	0.2
176.25075	0.2
177.05479	0.3
200.04643	0.5
204.04163	0.4
228.04143	2.1
229.04921	0.9
245.04453	1.1
256.03580	0.6
257.04416	0.9
258.05203	1.6
273.03851	0.7
274.04666	4.1
285.03873	1.0
286.04660	4.0
301.03378	9.0
301.07022	10.7
302.04153	48.6
303.04471	1.4
317.06494	100.0
318.06802	3.5
479.11780	15.0
479.17206	0.2
480.12000	0.6
603.17633	0.2
632.56799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17957	0.4
69.03404	0.5
70.06581	19.0
71.44489	0.6
79.05456	1.2
81.07075	0.7
85.02895	1.2
91.05418	0.7
95.04943	0.7
95.08569	0.6
97.02854	0.5
105.07018	0.5
109.02844	0.5
109.10145	0.7
110.07102	0.5
112.08707	4.3
119.04906	0.7
121.06452	0.5
127.03882	0.8
129.06842	0.5
131.04890	0.7
134.47256	0.4
135.08032	0.5
137.05916	1.5
151.07491	1.0
163.03915	2.4
163.07555	0.5
175.03639	60.0
176.04048	0.5
177.16512	0.5
177.30170	0.5
204.03926	0.8
205.04741	0.7
225.04187	0.5
245.07932	0.7
284.15717	0.4
287.12909	0.8
331.15414	2.4
341.37524	0.5
343.15475	0.5
345.51471	0.4
408.37976	0.5
413.11511	0.7
428.14404	2.5
429.15414	0.8
441.14944	0.5
481.10178	0.5
577.20251	0.5
625.22302	100.0
626.22729	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	625.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17957	0.4
69.03404	0.5
70.06581	19.0
71.44489	0.6
79.05456	1.2
81.07075	0.7
85.02895	1.2
91.05418	0.7
95.04943	0.7
95.08569	0.6
97.02854	0.5
105.07018	0.5
109.02844	0.5
109.10145	0.7
110.07102	0.5
112.08707	4.3
119.04906	0.7
121.06452	0.5
127.03882	0.8
129.06842	0.5
131.04890	0.7
134.47256	0.4
135.08032	0.5
137.05916	1.5
151.07491	1.0
163.03915	2.4
163.07555	0.5
175.03639	60.0
176.04048	0.5
177.16512	0.5
177.30170	0.5
204.03926	0.8
205.04741	0.7
225.04187	0.5
245.07932	0.7
284.15717	0.4
287.12909	0.8
331.15414	2.4
341.37524	0.5
343.15475	0.5
345.51471	0.4
408.37976	0.5
413.11511	0.7
428.14404	2.5
429.15414	0.8
441.14944	0.5
481.10178	0.5
577.20251	0.5
625.22302	100.0
626.22729	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	625.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	2.5
67.05502	3.8
69.86568	6.8
79.17586	2.3
98.22757	3.3
138.33260	3.0
222.26395	2.6
235.53474	2.6
329.15222	2.4
371.90891	3.0
377.18069	2.9
390.18460	3.0
391.19269	5.3
392.20132	3.8
405.20715	14.5
406.20853	4.0
407.22449	6.7
419.22342	7.0
420.22717	4.7
421.24005	11.6
433.24103	4.2
434.24496	4.5
435.18073	3.4
445.60300	3.0
451.21292	26.4
464.21948	4.2
465.22809	21.6
466.23254	3.9
493.25861	17.3
494.26093	3.7
503.24374	10.1
509.21930	6.5
513.11035	3.0
521.25348	8.9
523.23248	14.9
537.24890	7.7
538.25494	25.5
565.24829	11.9
566.25049	4.7
581.27405	9.0
607.25409	8.8
625.26385	100.0
626.26331	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	625.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
58.83969	0.6
67.05505	1.8
69.61557	2.1
69.91345	0.6
79.05496	1.2
81.07029	1.1
91.05470	2.2
93.07040	1.2
95.08613	1.2
97.31582	0.7
109.10184	0.9
109.36461	0.7
117.87849	0.9
131.08578	1.1
133.62729	0.7
213.16589	0.7
213.50414	0.7
267.80960	0.7
273.18417	1.7
332.84219	0.7
372.17722	0.8
389.17828	0.9
389.60403	0.7
390.18146	0.9
391.19244	2.4
392.20151	1.3
393.20578	1.1
403.19620	0.9
405.16547	1.0
405.21207	1.3
407.22473	2.9
409.46051	0.7
419.18579	1.9
421.16364	1.2
423.17947	1.1
433.20316	4.1
434.21024	1.8
435.17603	1.5
435.22540	1.5
437.19592	1.9
449.15225	4.8
450.16345	1.4
451.21347	7.0
452.21854	1.1
463.17261	5.7
464.18463	2.8
465.19293	3.0
477.18521	3.3
478.19803	9.0
479.20624	8.9
491.20734	4.5
492.21341	1.9
505.22299	2.4
506.22897	0.9
521.25281	2.2
523.19519	1.1
533.21893	1.2
537.24420	2.3
565.24396	27.9
566.24341	1.7
625.26459	100.0
626.26593	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	625.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
62.69384	0.4
62.92478	0.4
67.05493	1.6
69.07054	0.6
69.54626	1.8
79.05482	1.1
81.07041	1.3
83.08623	0.5
91.05492	1.2
93.07030	1.3
95.08588	0.7
96.51284	0.4
97.10127	0.4
105.07007	1.1
107.08570	0.8
109.10130	0.7
117.07026	0.5
119.08531	1.0
121.10153	0.7
123.08051	0.4
125.09602	0.5
128.52003	0.4
131.08537	0.5
135.11757	0.4
143.32872	0.4
145.10175	0.7
155.08516	0.4
157.10089	0.5
199.34085	0.3
208.16965	0.4
209.10631	0.3
215.31152	0.4
222.98628	0.4
223.12343	0.5
225.13846	0.4
237.13922	0.8
239.15637	0.4
249.13925	0.4
251.15340	0.4
377.18372	0.5
388.16754	0.6
389.17822	1.2
390.18527	0.7
391.19193	0.8
401.17868	0.7
402.18353	0.7
403.19492	2.5
404.20197	2.2
405.21268	0.5
407.18292	0.7
413.17899	0.6
415.19363	1.3
416.20444	0.9
417.16263	0.9
417.21548	2.0
418.21881	0.9
419.22574	2.0
420.22903	0.5
421.24146	2.2
429.20694	1.3
430.17621	0.6
431.18280	2.1
431.22458	2.5
432.23157	1.2
433.24380	1.9
435.22076	0.8
442.22186	0.5
443.22824	0.5
444.19403	1.2
445.19574	2.2
446.20718	1.4
447.21933	2.0
457.23788	1.1
459.22443	3.0
460.22919	2.3
461.19351	0.7
462.20453	0.5
463.21161	0.5
470.20837	0.6
471.17917	0.6
472.18674	0.5
473.19641	2.7
473.24368	0.9
474.19440	3.6
475.20862	10.6
476.22015	2.5
477.23718	3.3
483.22049	2.5
484.22583	1.1
485.23550	0.8
486.20685	1.4
487.21341	7.1
488.21780	1.5
489.23004	0.9
490.20517	0.4
491.19806	2.2
492.25470	2.3
493.25742	0.6
495.23309	0.8
501.22989	8.9
502.20215	6.7
503.20197	5.1
504.21109	0.7
505.22241	2.5
506.23422	0.6
510.26535	0.6
513.23022	2.1
515.20770	0.9
516.21503	0.8
517.21887	0.5
519.23956	5.7
520.24097	1.6
523.23499	0.8
529.22260	5.0
531.23730	1.2
533.21350	0.8
534.22675	0.7
537.24609	1.5
539.20953	0.8
547.23309	18.6
548.23859	2.9
557.21881	1.0
565.24207	1.1
566.25360	2.1
575.22772	8.5
576.23425	0.7
579.26007	0.6
589.24213	5.1
590.25092	0.6
607.25372	52.6
608.25751	3.9
625.26453	100.0
626.26819	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	625.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70911	0.6
62.13285	0.7
67.05494	0.8
69.62167	1.5
69.62557	1.5
97.76144	0.7
105.06983	0.8
119.08499	1.0
139.85387	0.7
183.77492	0.7
203.05220	4.1
207.21765	0.7
218.26913	0.7
445.25494	33.7
446.25800	1.0
463.21609	1.1
463.26553	22.5
464.27243	0.8
593.23553	1.4
607.25385	1.1
610.24011	1.0
625.32288	100.0
626.33484	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	626.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01865	4.2
57.03433	2.2
61.02922	2.1
69.03429	12.0
71.04984	2.9
73.02908	2.1
73.67990	1.1
79.05499	1.3
81.03404	9.0
81.07060	1.4
84.94584	1.1
85.02896	24.8
87.00816	14.7
91.05454	9.1
94.04130	1.8
95.04967	2.6
97.02885	14.1
99.04437	5.7
103.05447	7.1
105.01865	6.4
105.07009	2.1
107.04951	4.3
108.36260	1.4
109.02855	8.0
115.03922	2.5
115.05477	2.2
117.07030	3.0
119.04935	6.1
121.06506	3.5
122.03631	2.5
123.08041	1.8
127.03899	14.5
128.06239	1.9
129.01923	1.3
129.06990	6.4
131.04913	18.5
131.08575	1.3
133.06462	1.6
135.08049	1.6
137.05962	76.9
138.06297	2.2
143.08543	1.3
145.04924	4.2
145.06479	2.7
147.04369	1.5
149.05980	3.3
151.03906	3.6
151.07518	37.5
157.06490	6.2
159.02885	4.1
161.05965	11.2
161.09599	2.5
162.06691	2.1
163.06186	2.9
163.07529	50.8
164.07878	1.7
165.07004	1.9
167.07054	1.8
167.08495	2.4
171.08054	1.8
174.06779	2.9
175.03699	1.5
175.07545	10.9
177.09090	100.0
178.07750	2.0
178.09418	2.6
187.07480	2.5
189.09085	20.6
193.06508	2.9
193.10172	4.4
195.08057	4.9
195.10016	2.3
201.09157	1.8
203.06941	2.9
203.08664	1.7
203.10593	1.7
205.04707	22.6
205.06509	2.0
207.08234	1.2
207.10181	2.7
209.08040	3.0
210.06729	2.1
212.08247	1.3
217.08304	1.8
219.08064	1.8
219.10101	1.6
221.05951	4.5
221.09573	5.0
221.11740	17.5
223.07457	3.4
224.08260	2.1
225.09062	4.5
227.10672	6.9
231.04944	2.9
238.06227	2.0
238.09799	1.5
240.07880	1.6
249.09077	4.1
249.11296	2.3
252.07838	1.7
253.08533	6.3
253.12222	10.8
255.10155	5.6
267.10095	4.7
269.08102	2.4
272.10571	1.7
278.09323	1.4
279.10165	1.9
281.11798	4.5
284.10397	1.9
285.11212	11.0
286.11661	1.6
287.12769	9.8
293.10287	4.1
297.11093	4.2
299.12747	5.2
309.11078	1.8
311.12701	7.7
313.14322	20.5
331.15363	51.6
332.15781	2.3
335.12674	2.0
337.14459	1.2
341.13922	2.9
341.54337	1.3
343.15366	13.8
353.13843	2.0
355.15393	3.4
367.15445	3.2
397.16714	2.4
399.14282	3.3
417.15414	32.0
418.15894	1.8
421.16541	6.7
429.15302	2.3
439.17468	2.3
525.17065	1.5
543.18030	2.3
544.78821	1.3
561.19501	3.3
626.21716	3.5
626.29803	2.1
627.23981	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	13.8
69.12028	3.7
84.96024	3.9
98.97572	61.7
104.88589	0.6
110.97560	9.1
112.99100	1.5
116.98612	19.0
124.99093	1.1
126.97036	0.9
127.00697	4.9
128.98573	5.9
131.00121	1.2
134.99590	2.7
140.98538	1.9
143.00153	5.2
145.01712	3.5
146.99561	1.9
152.98549	6.3
155.00203	0.7
158.99634	31.4
161.01213	3.2
170.99634	29.6
173.01184	1.7
173.02728	0.8
176.99225	1.1
177.00694	19.2
179.02275	0.8
189.00684	34.7
191.02171	0.7
194.99649	8.7
195.01477	1.1
201.00687	3.7
207.01727	9.4
213.00682	29.5
214.01044	0.9
219.01746	24.5
225.00716	0.7
231.01770	10.0
237.02786	25.4
243.01804	1.2
255.01678	9.5
255.03992	1.2
267.01602	1.0
273.02768	2.2
279.03778	1.0
297.03021	0.6
306.73740	0.7
315.03824	8.7
333.04877	94.9
334.05157	2.1
351.05939	100.0
352.06323	3.2
374.07474	1.3
375.05884	4.0
382.41336	0.7
393.06808	4.3
423.08258	0.8
435.08539	0.7
447.08029	2.1
453.08966	1.5
465.09009	6.0
489.08923	1.1
507.10175	10.7
508.10541	0.9
567.12225	2.2
609.13007	1.2
614.11115	0.8
627.14282	25.5
628.14484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01873	0.4
57.03419	0.5
61.02917	1.0
65.03922	0.2
68.99792	0.4
69.03414	2.3
69.96437	0.1
70.06600	0.2
70.65186	0.2
71.04985	0.4
73.02907	0.3
81.03406	1.2
85.02892	5.8
85.03406	0.3
87.04444	0.3
91.03955	0.2
91.05453	0.2
93.03413	0.2
95.04961	0.3
97.02875	2.0
99.04424	0.6
109.02876	1.0
111.00790	0.7
121.02859	0.9
123.04433	0.2
127.03909	1.3
135.04388	0.2
137.02313	3.1
138.09099	0.4
142.22189	0.2
145.04941	0.7
149.02296	0.4
153.01801	3.5
161.05975	0.4
163.03891	0.6
165.01813	2.0
166.02605	0.4
171.45369	0.2
173.05936	0.4
177.05656	0.2
183.02911	0.8
183.04297	0.2
187.03905	0.2
188.32922	0.2
201.05435	1.5
205.04932	0.2
219.02835	0.2
219.06558	0.3
229.02687	0.2
229.04927	3.8
247.05966	0.7
257.04382	2.4
274.04648	0.6
285.03906	1.2
303.04932	100.0
304.05338	2.4
465.10226	5.6
466.10632	0.2
535.49243	0.2
627.19226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85967	0.3
60.97369	0.3
65.53558	0.3
67.05495	0.3
68.99771	0.3
69.03419	0.3
70.06200	0.4
70.06523	0.7
81.03416	0.4
81.07034	0.4
91.05449	1.2
95.04983	0.4
102.04707	0.5
103.05437	0.4
105.07031	0.6
107.08595	0.4
110.03667	0.8
119.04923	0.9
121.06414	0.3
123.04416	0.5
124.05273	0.3
125.05982	0.5
130.04140	1.0
131.04881	0.7
135.04395	0.7
136.05180	0.9
137.02332	0.5
137.05952	1.9
139.03830	0.5
146.03609	1.7
147.04381	2.0
148.05165	3.0
149.05948	0.5
151.03856	0.3
151.07506	0.5
153.01794	2.3
161.05962	2.5
162.06770	0.8
163.03870	1.3
163.07532	1.3
167.07030	1.7
177.05388	0.4
181.04854	0.7
191.03372	0.5
203.03326	2.0
205.04958	3.0
205.08589	2.6
207.10214	0.5
209.08060	0.6
229.04935	3.2
241.04944	0.6
242.05676	5.6
253.04945	2.3
257.04404	36.0
258.05182	10.1
259.09491	0.5
269.04413	0.7
270.05164	4.1
271.06012	1.4
283.05942	0.8
285.03882	4.4
286.04663	24.8
287.05414	12.0
297.03864	3.1
299.05478	1.4
301.07050	0.4
327.05020	1.6
341.06595	1.0
361.19437	0.3
373.06747	0.5
375.08853	0.3
387.08670	0.7
397.82260	0.4
403.08029	1.0
409.12851	0.8
415.08295	0.7
417.15332	0.5
432.08417	2.9
435.10663	4.3
447.10703	19.4
447.31232	0.6
448.10934	0.4
465.11758	100.0
466.12067	4.9
576.83484	0.4
584.38318	0.4
627.16150	0.6
627.24402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88188	1.9
55.05462	2.8
69.24342	7.9
69.24755	4.6
91.05467	2.7
91.44580	2.0
95.32666	2.0
98.22647	3.9
102.36135	1.9
105.07156	2.2
119.08548	2.3
123.87713	2.4
124.62453	2.5
168.77589	2.4
241.40697	2.5
299.06830	2.8
343.25433	2.6
367.12784	19.1
627.23456	100.0
628.23767	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	627.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97296	7.8
65.06886	7.2
91.05450	7.9
93.07011	6.6
94.02930	6.9
98.22684	16.3
101.89627	6.1
106.57368	6.6
122.00509	7.3
127.90325	6.2
143.50490	6.7
551.45795	8.4
627.23792	100.0
628.23639	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46994	0.3
65.97784	0.2
69.03435	0.3
70.37257	0.5
70.37578	0.3
97.03857	0.3
100.11238	0.5
105.06981	0.4
111.69656	0.3
128.32140	0.3
137.05930	0.4
143.27992	0.2
143.97046	0.3
149.05952	0.3
151.03891	0.3
161.09575	0.3
163.03836	0.5
177.05251	0.7
182.15366	0.7
188.16104	0.3
189.05177	0.7
191.03140	0.6
203.03088	0.4
203.06688	0.5
204.07593	0.8
205.04689	59.6
206.05042	1.0
210.14857	0.4
217.08287	1.8
218.05499	2.4
232.07054	2.3
249.07343	0.8
299.87503	0.3
301.06958	0.4
415.13495	2.7
429.15207	3.3
430.15909	1.4
431.16748	0.8
597.23126	0.4
611.83789	0.3
627.23975	100.0
628.24225	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	627.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39684	0.4
55.63219	0.5
69.03397	0.8
71.42457	0.5
81.03423	0.7
85.02898	1.4
87.00825	0.5
88.55663	0.5
91.05499	0.9
95.85278	0.5
97.02875	0.8
98.31194	0.4
103.05450	1.1
117.07055	0.6
127.03922	1.3
131.04918	2.2
132.05251	0.7
137.05946	5.0
138.06302	1.1
151.07513	1.7
161.05965	0.8
163.07527	5.4
164.07939	2.4
175.03696	2.2
175.07507	0.6
177.05400	0.6
177.09073	11.5
178.09424	5.7
189.05151	0.8
189.09155	0.7
203.06802	0.7
204.07430	0.7
205.04694	46.7
206.04977	0.6
217.08362	1.9
218.05513	1.9
219.06242	1.5
221.11763	1.8
222.12054	1.4
223.05806	0.5
232.07037	1.1
233.07866	0.6
234.08577	2.8
249.07355	0.5
331.15326	1.3
332.15710	1.7
344.15674	0.6
385.12555	1.9
399.14017	2.5
415.13770	1.9
418.15735	1.1
429.15005	2.2
430.15945	2.5
431.16791	0.7
443.16577	0.5
627.23975	100.0
628.24536	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	627.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22835	0.4
52.26308	0.4
59.72291	0.4
69.98713	0.4
69.99074	1.2
81.58627	0.4
82.26733	0.4
93.64768	0.4
98.23347	0.5
160.11450	0.4
188.00716	0.4
205.04878	1.0
215.02924	0.6
228.03889	0.5
307.09500	0.7
349.13986	4.0
366.14307	3.5
367.15137	100.0
368.15427	2.8
505.57294	0.4
557.68018	0.5
559.19342	12.5
625.56940	0.5
627.25592	44.4
628.25635	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	627.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36095	0.4
55.01799	0.4
58.04184	0.4
65.47713	0.4
69.08334	2.9
85.57741	0.4
98.09773	0.4
99.22861	0.4
131.83841	0.4
164.13496	0.4
191.03360	0.6
205.04938	1.9
225.07494	0.5
233.67699	0.4
243.07550	0.5
336.18344	0.4
349.13998	3.3
367.15143	100.0
368.15561	3.7
559.19580	1.4
627.25592	56.6
628.25665	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	627.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
83.65195	3.7
107.90958	4.9
114.90730	4.5
140.11659	3.6
146.09383	3.9
241.21858	4.8
299.07269	31.6
351.17621	6.2
626.34454	6.3
627.25977	100.0
627.35150	11.3
628.70477	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2801
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
61.34504	1.0
67.05476	1.1
69.12337	5.6
70.02957	1.2
74.49887	0.8
89.89518	0.8
91.05471	1.0
93.07004	1.0
98.23434	2.0
108.08110	0.9
120.04379	1.1
131.07259	1.3
136.07555	1.4
138.09117	1.2
146.09622	1.7
158.08533	0.9
163.91554	0.8
172.07513	1.2
174.09111	5.0
182.09631	1.2
187.08589	1.4
187.12263	6.1
188.10703	1.9
197.10696	0.9
200.09274	1.2
211.08626	1.9
213.10284	1.0
215.11774	4.2
223.08604	0.9
224.09378	1.5
225.10242	4.9
226.10771	1.1
227.11774	3.5
235.08632	1.7
237.10301	1.4
239.08304	0.9
239.11783	3.7
241.13307	4.1
243.11237	28.8
249.10193	1.7
251.11710	1.8
252.08783	1.2
253.09792	3.0
265.09900	1.1
267.11221	8.2
269.12729	2.4
277.09692	2.6
285.12320	2.7
291.11182	1.3
293.12671	1.3
295.10681	3.5
299.14099	1.4
300.11514	1.4
301.12283	1.4
301.15457	4.1
309.12457	2.0
314.12878	1.1
315.13828	1.3
316.10596	2.5
316.14307	1.2
317.11990	1.0
318.12305	1.1
325.15430	9.0
327.13345	7.6
328.10721	2.3
328.14484	2.2
329.11716	1.8
329.15509	1.1
330.12363	3.0
334.15353	1.4
340.14581	1.2
341.11401	1.1
342.12506	4.1
343.13000	3.0
344.13782	3.9
346.15485	2.2
348.13342	3.1
351.13425	1.5
354.12329	2.0
355.13196	1.4
356.13840	4.2
357.14645	1.9
358.15625	4.2
359.16367	1.3
360.17078	1.7
370.15576	2.3
371.16461	1.0
372.17117	5.2
374.15042	1.3
384.17093	1.8
386.14450	1.7
386.18521	2.8
390.18353	1.1
398.15045	1.1
400.16528	3.0
403.15598	1.2
407.14874	1.1
417.16696	0.9
418.17313	1.6
421.16583	1.8
430.17496	1.9
431.18542	1.4
432.19046	3.7
435.13870	1.8
436.19409	2.2
437.19931	3.1
443.94785	1.0
444.18890	1.3
447.21945	2.0
447.26871	1.9
449.20383	1.5
450.16385	1.9
451.17523	2.9
452.22351	1.4
460.18546	1.4
461.23883	1.7
462.23944	3.2
463.16821	1.4
463.21201	3.6
465.18777	12.1
466.20575	0.9
475.21088	1.7
477.19189	1.2
478.19910	1.4
479.20486	6.7
480.21393	3.8
481.22037	3.0
489.22433	1.4
491.20206	1.6
492.21652	4.0
493.22040	3.6
504.21252	3.1
505.19769	1.0
506.23410	1.1
507.24127	5.3
517.22125	1.8
520.20404	1.7
527.26807	1.3
535.23230	7.9
549.24835	13.8
552.23260	1.3
553.24078	3.2
567.25928	74.5
568.25909	4.3
577.24487	2.6
595.25378	54.6
596.25262	2.2
626.31854	1.8
627.27838	100.0
628.28497	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	627.2807
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.81694	0.9
57.73359	0.8
67.05505	2.3
69.25384	5.1
70.02937	1.2
81.07059	1.3
91.05490	1.4
94.06580	1.1
106.02861	0.8
119.90172	0.9
123.04447	1.8
136.07599	1.8
138.09090	1.0
144.08080	1.0
145.08804	1.1
146.09601	1.0
148.07597	0.9
170.09695	1.2
172.09941	1.2
174.09123	5.4
176.07076	2.4
182.09685	1.2
187.08687	1.7
187.12270	4.2
188.10805	2.8
188.29083	1.1
194.93408	0.9
196.09991	1.0
197.10779	1.8
199.12215	0.9
200.09448	1.4
207.67776	0.9
209.10777	1.2
211.08646	2.0
212.09517	1.0
215.11749	5.0
221.10736	1.8
223.08606	1.2
225.10237	2.6
226.10851	1.3
227.08134	1.1
227.11888	3.7
235.08687	1.4
239.11890	3.7
241.13387	3.2
243.11275	26.9
243.13756	1.7
247.08725	1.1
249.10257	2.7
251.11836	2.6
252.09196	1.1
253.09903	2.6
253.13249	1.2
267.11252	6.7
269.12939	2.3
274.04672	1.4
277.09674	1.9
285.12506	1.7
291.07336	7.1
295.10748	2.8
299.14191	1.2
300.11215	1.9
301.15576	1.5
309.12451	1.5
314.12970	2.6
315.13623	1.5
316.10837	1.7
316.14459	1.4
318.12289	1.1
319.10431	1.4
320.13968	1.4
325.15460	11.0
327.13571	3.3
328.10751	2.9
328.14551	3.1
329.11594	1.5
330.12350	3.8
330.15952	1.4
331.13156	1.1
332.14099	1.5
334.15567	1.8
336.13419	1.5
341.11685	1.7
342.12482	5.6
342.16019	1.1
343.13217	4.1
344.13950	4.8
345.14938	1.3
346.15497	2.5
348.13342	5.1
351.13510	1.8
354.12292	1.6
355.13577	1.9
356.13931	4.3
357.14914	2.0
358.15552	5.0
359.16388	1.0
360.17148	1.7
362.15121	1.2
370.15805	2.7
372.17252	5.2
374.14774	1.6
374.18890	1.4
384.13013	1.2
384.17355	1.6
386.15018	3.6
386.19193	1.9
400.16516	2.8
403.16245	1.0
407.14905	2.1
408.15509	1.0
412.16241	1.2
417.16992	2.1
418.17889	1.3
420.16827	2.8
422.18161	1.4
430.17645	1.6
431.18698	1.7
432.19324	3.9
435.14459	3.0
436.19617	1.5
437.19760	1.6
447.21771	3.1
449.15442	2.1
449.20749	1.4
450.16580	2.1
451.17291	2.6
460.18793	1.5
461.23639	2.7
462.23959	3.7
463.21265	3.8
464.18298	2.1
465.18945	19.8
466.19434	1.4
477.18961	1.8
479.20523	7.1
480.21289	5.2
481.22211	5.6
489.22952	1.4
490.20834	1.8
492.21356	3.8
493.22540	3.0
504.21533	1.4
505.21823	1.1
507.24429	5.9
517.22321	3.2
520.21204	1.4
521.25867	1.4
535.23328	9.2
549.24915	14.8
550.25012	1.1
552.23444	1.2
553.24475	2.9
563.22882	1.4
567.25983	99.2
568.26331	4.3
577.24463	2.9
595.25464	100.0
596.25500	6.0
627.28094	47.7
628.27753	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46416	0.7
56.96288	1.1
56.96558	16.1
67.05508	0.7
71.95260	0.9
72.96027	0.7
79.16372	0.7
91.05473	0.9
97.96790	2.1
98.97589	0.8
110.97544	4.1
115.97807	1.8
117.46680	0.7
119.06839	0.6
128.49866	0.7
128.98584	5.7
133.98868	0.9
146.99617	5.5
155.03760	1.2
161.01181	1.5
169.05261	0.9
171.03333	1.5
176.03494	1.2
189.04320	1.2
190.05080	1.2
193.03659	0.8
201.04352	0.6
204.06520	0.9
205.22260	0.7
225.67522	0.7
227.09554	1.1
245.10641	1.1
259.12167	1.3
263.09549	1.8
289.11014	1.1
303.12631	2.3
315.16241	42.6
316.16711	1.3
331.15610	1.6
333.17307	100.0
334.17670	3.4
351.18365	18.2
356.18832	7.7
374.19955	2.3
540.85394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.8
55.43166	2.8
55.96079	3.0
57.07065	34.9
67.05493	15.5
69.07056	4.9
69.60725	7.0
70.74958	2.8
71.08626	33.7
73.06552	9.2
79.05486	11.3
81.07058	12.7
83.08646	6.3
85.10151	16.8
87.04461	6.6
89.06017	100.0
91.05457	4.3
93.07030	7.6
95.08606	8.7
97.10157	6.1
98.22739	4.7
105.07056	5.3
107.08585	3.9
109.10117	3.8
111.11694	2.9
117.09126	3.8
119.08572	5.7
121.96500	2.6
131.08568	4.2
133.08569	49.6
133.10120	4.6
145.10075	2.6
147.11688	3.9
156.54816	2.5
177.11201	13.4
197.22762	4.4
224.69147	3.0
276.20316	4.1
285.27887	3.3
319.49515	3.2
415.25235	4.2
529.40796	3.5
611.46722	4.4
628.47192	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	629.2239
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
70.59674	1.0
70.60017	1.4
94.86398	1.1
106.36780	1.0
110.91420	1.1
155.99631	1.0
190.02521	1.3
200.28687	1.1
205.04929	5.7
225.91179	1.0
322.75894	1.0
335.18896	3.5
337.20020	1.3
339.07941	1.4
369.16528	2.3
397.12875	2.3
398.13754	2.1
399.14874	1.0
409.12759	1.1
410.13602	2.9
411.14331	7.0
412.15189	3.1
413.15891	3.9
414.16895	1.1
424.11102	2.2
425.16223	15.2
426.16931	9.4
427.17783	1.8
428.18243	2.5
438.12305	4.6
439.13431	14.4
440.18860	8.5
441.19232	31.7
442.19196	3.5
452.14590	4.5
453.15347	23.5
454.15768	5.9
456.17834	1.8
467.17029	23.5
468.17764	21.6
469.18762	13.3
481.14523	9.5
482.14911	2.1
484.21677	2.3
485.18027	2.0
496.17026	18.9
497.17014	2.0
500.20340	3.3
509.20093	2.8
512.20343	3.0
513.21844	6.0
523.19763	1.5
527.18671	1.4
537.17316	1.1
541.20807	35.1
542.21033	3.3
551.18762	1.3
553.20636	1.4
569.20203	100.0
570.20288	10.4
573.23413	2.9
587.19336	1.1
597.19690	30.2
598.19958	2.7
601.22980	9.9
615.20630	1.3
629.22095	64.6
630.22418	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	629.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47808	1.0
57.56448	1.0
61.67981	1.0
65.03928	2.2
66.03453	1.5
67.05475	1.1
69.07043	1.1
69.57755	4.0
79.05467	1.7
81.05782	0.9
91.05475	3.1
93.03387	4.2
93.05779	1.6
93.07038	3.3
94.06552	7.7
95.04939	1.5
95.07339	4.0
96.08110	7.9
101.16765	0.9
106.06560	2.6
108.04490	3.3
108.08096	10.9
110.09662	11.6
116.04967	1.4
118.06525	1.6
120.04441	3.9
120.08086	8.3
122.06015	6.4
124.07570	11.6
134.05965	5.0
136.07555	6.0
138.09111	12.1
144.04453	2.4
146.05984	99.4
147.06335	1.6
148.07513	5.9
150.09212	1.1
152.07047	2.7
158.09633	1.1
160.03868	1.8
162.05553	2.0
166.08626	14.6
172.03894	7.2
172.07573	1.2
174.09077	1.2
182.09683	1.0
183.09132	1.0
187.08665	1.1
190.04961	23.0
197.10693	1.5
199.08665	1.2
199.12280	2.7
209.10709	2.9
210.11343	1.0
211.08699	4.7
211.12267	1.2
212.09395	3.0
213.10208	1.4
218.11488	1.0
220.63354	0.9
222.11244	1.2
223.12216	0.9
224.09258	1.1
225.10213	8.6
226.10931	1.9
227.11758	17.0
229.13239	1.1
236.09206	1.3
237.10208	3.8
238.10991	2.4
239.11725	5.9
241.13301	3.0
243.11217	1.1
249.10374	1.5
251.11778	3.9
253.09729	3.4
253.13426	5.2
255.11140	1.4
264.08917	1.2
267.11163	2.5
269.12766	11.3
271.10770	4.6
271.14355	7.9
273.12302	3.4
279.11194	2.0
281.12787	3.4
283.10760	5.9
284.11429	4.1
285.12268	8.4
286.13104	2.8
287.13858	36.0
295.10880	2.1
297.12329	10.6
299.13864	100.0
300.14337	3.7
301.12164	2.5
311.14111	1.9
314.12833	3.3
315.13602	2.8
316.14557	6.6
323.10172	4.1
325.11752	9.7
325.15311	1.6
327.13495	1.5
328.10623	1.3
328.14316	2.2
329.15121	1.9
330.15961	10.4
331.16714	8.4
334.25040	1.0
342.12375	5.8
342.15891	1.2
343.12866	4.9
344.13782	1.8
344.17459	2.3
356.13870	3.5
357.14706	1.9
358.15469	7.8
362.33102	1.0
370.15512	2.1
372.17062	5.6
373.17911	5.3
378.18060	10.4
382.11539	2.1
384.13171	1.7
390.18130	9.1
398.14954	8.0
399.15714	11.2
400.16083	1.2
402.18073	3.3
404.15851	1.7
414.18085	5.4
416.15881	6.8
417.16370	1.8
420.19095	12.6
422.16714	1.9
430.17560	1.6
432.19104	51.0
433.19437	2.6
436.63522	1.2
439.40689	1.1
440.15982	2.1
446.17004	5.5
458.17010	16.0
476.18222	1.2
525.25189	1.3
565.24121	1.7
567.25745	5.5
569.23773	3.9
583.25043	1.3
585.26996	13.9
586.27325	1.0
590.63177	1.0
593.23590	3.6
611.24945	30.7
612.24707	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	629.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84037	0.9
69.03375	1.1
69.07049	1.4
69.29604	3.1
69.30005	2.0
77.03900	1.1
81.07034	1.4
83.04961	1.2
86.09689	54.5
87.10041	1.0
91.05450	10.3
91.11127	1.1
93.07048	1.5
95.04941	1.4
103.05450	5.4
105.03376	2.1
105.07021	1.3
109.06473	0.9
116.04974	1.1
118.06519	26.6
119.04916	2.2
119.07333	8.2
120.08080	100.0
121.08398	2.5
121.10125	1.0
130.06511	2.4
131.04887	2.4
136.07542	8.5
145.10033	1.4
146.05980	64.7
152.92715	1.0
162.05507	3.0
162.09113	21.6
165.05435	1.3
167.08542	3.0
174.12717	2.9
179.08479	1.0
182.08112	2.2
186.12767	2.0
188.14372	2.0
190.08601	12.0
195.08072	1.1
203.15399	2.9
223.07538	5.5
231.14903	12.2
235.48315	1.0
236.10669	7.0
247.14391	1.8
248.10745	1.8
259.14377	42.8
265.06021	0.9
265.08392	5.1
270.11301	1.6
275.13828	6.5
282.11169	6.6
293.12787	2.6
295.16534	3.7
299.13852	2.1
309.15811	1.4
321.14359	4.2
327.13379	1.1
335.13736	9.5
379.97342	1.1
383.19415	2.3
395.19626	3.9
412.22137	2.3
420.22675	3.1
440.21600	8.1
441.21606	1.1
448.22205	1.9
461.58136	1.0
629.31390	11.1
630.31665	1.1
658.47797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
55.01843	0.5
55.05489	1.4
57.03410	0.5
58.06298	0.4
58.06592	16.2
59.07379	4.5
60.08156	30.7
61.82270	0.3
62.30156	0.3
65.03924	0.8
67.05493	2.4
69.03422	1.9
69.07051	1.1
70.01478	1.2
70.06570	1.0
70.07458	0.3
71.04974	0.7
72.08131	0.4
77.03896	0.8
79.05492	2.1
81.03419	0.6
81.07047	4.1
82.06555	0.7
82.07363	0.8
83.08653	0.3
84.04458	0.4
84.08141	2.8
85.02874	2.1
85.06535	0.7
86.09686	0.5
87.04465	1.0
88.81393	0.3
91.05469	16.6
93.07028	3.9
94.06570	0.6
94.07404	0.4
95.04968	3.1
95.08576	1.1
97.02862	1.5
97.10131	0.4
103.05455	20.0
104.06274	2.4
105.04544	0.6
105.07016	10.7
105.07726	0.5
106.06554	2.6
107.04919	2.2
107.08620	0.8
109.06546	0.6
109.10135	0.4
110.06015	1.8
112.07600	0.9
115.03918	1.4
115.05450	1.8
117.05751	0.7
117.07014	2.2
118.06514	2.4
119.04945	2.2
119.07312	5.3
120.08086	82.9
121.06511	0.6
121.08430	0.6
121.10128	0.6
123.04404	2.1
124.07588	2.3
127.03876	0.7
128.05020	0.3
129.06972	1.1
130.05028	0.5
130.06505	9.5
131.04909	29.3
131.07265	1.4
131.08586	0.4
132.05319	0.6
132.08078	2.8
133.04953	1.7
133.06476	0.7
133.08856	0.3
133.10112	0.7
134.06000	0.8
134.09641	2.2
135.04477	0.4
135.06786	1.1
135.11578	0.5
136.07553	3.7
137.05963	1.0
137.13235	0.7
143.08513	0.7
144.08061	1.5
145.05084	1.1
145.06418	0.5
145.10036	0.7
146.06007	4.5
147.04401	1.5
147.09129	0.6
148.07555	9.1
148.11183	5.3
149.09584	0.7
149.13231	0.4
155.08470	0.4
157.10130	1.0
158.05995	1.6
159.11687	0.6
160.07574	1.7
161.09601	1.1
162.05478	0.6
165.05507	1.7
172.07573	1.3
172.11244	0.6
173.09593	2.7
175.08693	2.2
177.09087	10.8
178.07784	0.3
183.08055	0.6
185.09576	0.6
186.12798	1.5
187.11168	0.5
187.13573	0.6
188.07025	0.7
189.09084	3.9
190.12238	10.3
190.13826	0.7
190.87524	0.4
193.10152	0.7
200.10660	8.9
200.12428	0.6
201.06593	0.4
202.12238	7.4
203.08305	0.6
204.09311	0.4
205.10078	1.3
207.14897	7.8
212.10712	0.7
214.12236	4.2
215.08228	1.2
215.13005	0.5
216.10213	1.5
216.13776	0.5
219.08067	0.3
219.10112	6.4
219.12048	0.6
222.12749	6.5
222.14764	0.6
228.10213	1.1
229.13382	0.6
231.10068	2.9
236.12775	1.6
242.11768	0.9
245.12743	0.7
246.11342	1.5
248.12726	3.8
250.12267	1.0
251.41527	0.3
257.12863	1.1
263.14005	0.4
265.15509	0.5
267.14767	0.8
269.17355	2.5
270.17844	2.4
273.19675	0.8
274.10812	1.2
275.14240	0.5
290.11713	0.4
291.13638	0.4
295.10709	0.6
301.19202	0.4
304.16931	1.0
307.14465	1.1
329.15091	0.4
349.19165	1.5
350.17465	0.7
367.20227	2.2
375.17435	0.5
377.18753	0.4
383.19699	0.4
392.19492	1.2
395.19553	1.5
421.17926	0.6
423.19193	0.8
466.19547	0.3
497.24634	0.4
514.26837	0.7
522.57825	0.3
542.26093	1.6
561.32166	0.4
567.82245	0.4
570.25885	26.6
571.26263	1.3
601.33710	31.0
602.34021	1.7
604.46783	0.4
629.33234	100.0
630.33704	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	630.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.5
57.07068	31.8
59.05005	1.4
67.05502	1.4
69.07056	3.6
71.08624	23.6
73.06546	9.8
81.07041	2.5
81.82030	1.2
83.07678	1.0
83.08607	2.4
84.87984	1.2
85.10169	19.9
87.04446	7.9
89.06021	100.0
91.05463	1.8
93.07033	2.2
95.04952	1.2
97.10133	3.5
99.11715	4.3
105.07010	3.0
107.07053	2.7
107.08552	2.3
109.06544	1.5
113.13260	1.1
117.09120	8.7
118.16309	1.0
119.08548	1.6
121.10106	2.8
130.08600	1.2
131.07028	2.3
133.08586	56.5
135.10204	1.7
137.09668	1.5
139.02486	1.1
155.17920	5.0
155.73816	1.2
157.10060	1.4
161.11726	2.3
167.10533	1.5
175.09605	2.8
177.11203	24.6
181.12183	1.2
199.20529	4.2
221.13739	3.6
221.15627	1.3
225.70651	1.1
243.23244	8.6
265.16367	2.1
283.17566	1.8
287.25821	6.2
300.38089	1.2
415.25504	1.4
459.27817	3.9
613.45367	5.8
630.47473	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	631.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82624	1.2
65.03918	2.3
67.05495	4.9
69.17911	8.0
79.05478	4.2
81.05750	2.2
82.06554	2.4
83.04951	1.8
85.66305	1.3
91.05460	6.5
93.03362	1.2
93.05779	1.7
93.07041	8.9
94.06562	12.7
95.04963	4.9
95.07327	8.9
96.08112	23.4
97.06531	3.2
98.23062	7.4
103.05447	1.7
105.03387	3.6
106.06540	9.5
107.07375	1.9
108.04456	3.8
108.08106	31.3
108.08827	2.3
110.09670	37.3
118.06516	2.8
119.08556	1.6
120.04461	4.4
120.08087	30.7
120.08887	2.7
121.08844	2.1
122.06023	12.8
122.09684	2.7
123.04396	1.9
124.07571	20.5
132.08072	3.1
134.05954	7.6
134.09621	3.9
136.07558	54.4
137.05994	1.6
138.09126	49.5
139.09599	1.5
144.04451	2.9
144.08008	1.6
146.05986	61.3
146.09637	2.6
148.07549	26.2
150.05464	2.4
150.09122	11.5
151.03883	1.4
152.07051	21.1
158.05988	3.7
160.07603	3.4
162.05498	6.2
162.09094	2.4
164.07021	15.4
165.07835	2.0
165.09082	1.7
166.08615	100.0
167.09068	1.9
170.09660	1.7
172.03911	15.4
174.05408	2.3
174.09085	3.5
176.07040	3.4
178.08632	2.5
182.08116	2.7
182.09639	1.7
184.09927	2.6
190.04956	34.0
192.10098	2.1
195.13766	1.4
197.10732	9.7
198.11488	9.8
199.12259	5.6
205.04929	2.5
207.09050	2.0
209.08113	2.0
209.10736	4.4
210.11475	11.3
211.08682	1.8
211.12245	20.7
212.09296	2.2
212.13031	6.6
213.10104	2.1
213.13747	3.1
218.08084	13.4
220.09674	1.6
221.10710	3.0
222.11324	1.6
223.12277	15.2
224.09322	2.4
224.13004	4.3
225.10136	16.7
225.13824	6.1
226.10934	13.7
227.11743	11.8
229.13345	3.7
235.08571	3.1
235.12334	3.8
236.09370	3.2
236.13103	2.4
237.10182	17.3
237.13902	4.3
238.10951	18.2
239.11740	29.2
240.12482	6.2
241.09592	3.1
241.13397	6.9
243.11180	1.9
245.12842	1.7
246.07582	2.3
249.10095	8.2
250.10889	7.8
251.11758	29.7
252.08948	2.5
252.12541	8.7
253.09691	4.0
253.13326	17.7
254.10417	1.9
255.11145	6.6
256.11993	10.7
257.12912	8.5
258.13678	2.0
259.14417	8.1
262.11023	9.3
263.11722	17.0
264.08737	8.5
264.12512	4.6
265.09775	11.3
265.13275	14.4
266.10461	11.8
266.14029	2.9
267.11301	32.9
267.14340	2.0
268.11987	4.5
269.12811	15.1
271.05948	2.9
271.11084	2.8
271.14355	25.7
273.12332	5.2
277.09723	2.9
277.13376	2.3
278.10495	5.7
279.08112	2.5
279.11240	45.1
280.11954	8.0
281.12805	15.8
282.13477	2.9
283.10767	11.2
283.14365	3.8
284.11536	19.2
285.12299	58.3
286.12839	2.0
287.05438	2.6
287.13922	5.5
289.15387	7.4
291.11224	14.4
292.12033	4.0
293.09555	1.8
293.12781	17.0
295.11154	2.3
295.14417	7.3
296.11414	10.0
296.14514	1.9
297.12302	93.0
298.12964	13.7
299.13849	71.5
300.14468	4.4
301.15396	15.1
302.16360	1.9
307.10657	3.3
309.12283	20.6
310.13010	7.2
311.10175	9.3
311.13852	18.7
312.10992	3.6
312.14450	2.4
313.11963	2.8
313.15030	6.5
315.13342	39.6
316.14246	3.5
319.10736	11.2
321.12289	19.9
322.12796	1.8
323.10245	15.5
323.13724	3.1
325.11697	23.1
326.12332	2.0
327.13361	14.2
330.16077	1.8
333.11859	1.6
337.11774	60.3
338.12289	3.2
339.13339	5.3
341.15250	1.8
343.12863	4.8
344.13425	1.6
344.17487	2.2
346.19012	2.5
354.16876	1.6
360.16977	2.5
362.18561	3.0
374.18503	3.6
376.20172	3.7
380.19604	1.7
385.13998	3.5
390.17902	2.2
392.19574	10.6
400.16357	2.3
402.17947	5.6
404.19922	8.6
412.16284	2.5
414.18063	1.9
415.32578	1.8
416.19913	2.5
418.16852	1.9
420.18869	2.7
422.20673	18.4
430.17477	17.0
431.18384	3.0
432.19174	11.1
433.19897	1.9
433.33096	2.0
434.20880	13.9
435.21460	9.5
436.18164	2.8
442.17297	3.0
446.20798	7.7
447.21414	2.8
448.18515	42.7
449.19363	48.3
450.20102	36.2
451.20572	2.9
460.18640	28.0
461.18939	4.8
462.19907	6.4
463.20941	2.2
464.21744	76.2
465.22513	29.8
466.23276	7.5
472.18716	2.7
474.20282	8.6
476.18179	17.1
477.18790	11.1
478.19617	16.2
479.20465	2.5
490.19650	55.6
491.20383	14.9
492.21207	20.1
508.20804	3.4
509.21375	4.4
545.26483	1.8
567.25604	2.5
569.27124	4.2
571.25494	1.9
587.28552	19.4
588.28516	1.9
595.25433	16.9
613.26453	58.2
614.26532	5.5
631.13342	6.6
632.30206	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48204	0.3
56.96560	25.1
56.96829	1.3
57.07072	4.4
58.07385	0.4
69.20605	1.8
71.08623	4.8
71.95216	1.2
72.08922	0.5
72.95997	1.3
73.06511	1.3
74.97561	0.7
81.07019	0.3
83.08576	0.4
84.96024	0.3
85.10168	3.3
87.04432	1.0
89.06023	15.5
90.06348	1.9
91.07471	0.3
92.98586	0.6
97.10140	0.3
97.96783	0.8
99.11722	0.8
105.00092	0.6
107.06983	0.3
107.39822	0.3
110.97522	1.6
115.00647	0.6
115.97769	0.7
117.09093	0.6
119.01655	0.5
123.01135	1.0
128.98575	2.3
131.07074	0.4
131.82060	0.3
133.01720	0.5
133.07727	0.5
133.08601	6.1
133.98810	0.3
134.08934	1.9
137.02704	1.9
141.02126	0.4
146.99684	1.7
155.03737	1.2
155.17920	0.5
159.03270	0.5
161.01144	0.5
165.05705	0.4
167.03761	0.5
169.05299	0.9
171.03192	0.5
171.06978	0.5
173.04840	0.4
177.09810	0.4
177.11160	2.8
178.11487	1.2
181.05104	0.6
183.06892	0.5
185.04689	0.9
187.06306	0.5
189.04327	0.6
189.07990	2.6
195.06909	0.6
197.08484	0.6
199.06363	1.3
203.05844	0.7
203.09483	0.9
204.06686	0.3
205.05013	0.4
205.07452	0.4
207.09004	1.0
209.08481	0.9
211.10014	0.5
213.07927	2.8
215.09457	0.5
217.07433	1.1
217.11038	0.7
221.08444	0.8
222.07942	0.3
223.09998	0.6
225.07889	1.2
225.11649	0.4
227.09483	2.0
231.08994	3.4
235.09950	1.6
239.09512	8.6
240.09663	0.3
241.11058	6.1
243.09172	0.4
243.23123	0.6
245.10661	1.9
251.09492	2.1
253.11099	15.8
257.10556	4.4
259.12161	6.2
269.10580	9.4
269.13412	0.3
271.12158	9.5
276.12674	1.1
287.11691	2.6
292.12018	1.0
297.13525	0.4
305.17807	1.5
305.48608	0.4
307.19348	1.0
311.18924	0.7
317.17950	2.1
323.18872	6.2
335.18869	43.9
336.19171	1.5
346.20511	0.6
353.19949	100.0
354.20319	3.6
358.20517	0.6
371.21039	7.4
372.21506	0.5
376.21576	11.4
377.21686	0.6
382.54254	0.3
394.22168	0.5
518.88184	0.4
614.45221	1.0
631.42291	13.6
632.42657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01868	2.1
57.03425	1.0
60.96481	0.6
61.02914	1.4
69.03416	6.3
69.13226	0.9
69.13625	3.1
70.06593	0.7
71.04985	1.2
73.02892	1.0
76.52374	0.6
79.05431	1.5
81.03403	3.8
81.31107	0.6
85.02893	18.0
86.09686	0.6
87.04467	1.1
89.03915	0.9
91.05466	2.7
93.03394	2.7
95.04951	2.5
97.02871	6.7
99.04427	1.6
107.04951	3.1
109.02869	2.5
111.04405	1.5
115.03912	0.6
117.03340	0.9
119.04942	4.2
121.02839	0.7
123.04412	32.8
124.04633	0.6
125.06047	0.9
127.03878	4.2
130.92499	0.6
133.73117	0.6
135.04407	6.4
137.02321	25.3
137.05959	2.6
139.03851	0.9
143.04854	0.9
145.02809	1.4
145.04909	2.6
147.04399	9.6
149.05943	1.0
151.03833	0.6
151.63069	0.8
153.01862	1.1
153.05424	0.6
161.05981	2.3
163.03876	19.1
164.04263	0.9
165.01790	2.4
165.05458	10.3
173.06013	1.2
175.03906	0.7
177.05418	2.9
179.03366	2.8
179.06967	1.9
183.02864	1.6
187.03908	2.5
189.05435	1.0
191.03358	100.0
192.03757	2.6
195.02809	1.2
203.03375	2.8
205.04883	2.1
207.02914	1.2
207.06490	2.6
213.05495	0.8
217.04854	1.0
221.04459	2.5
233.04399	3.6
241.04935	2.2
247.05997	0.9
259.05975	7.7
271.05981	5.5
272.06226	0.7
299.05353	1.0
301.07019	58.9
302.07272	2.8
313.06995	23.1
314.07330	0.7
317.06482	9.0
325.07004	1.9
343.08063	49.7
344.08133	1.2
356.11713	1.4
393.09668	0.8
398.13123	0.7
411.10678	4.2
420.00034	0.7
435.10703	5.3
453.11771	18.6
454.12009	0.9
463.12344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3059
Annotation	Mesaconitine
Peak:m/z	Relative Intensity
51.02390	0.8
53.03933	1.9
59.56995	0.7
62.06074	0.8
69.50577	1.5
69.50955	1.5
75.04478	2.0
77.03922	0.7
79.05478	1.6
81.07021	0.8
85.02914	1.8
85.06535	1.3
91.05466	1.4
94.06567	1.1
95.04954	5.5
96.08112	0.8
100.16431	0.7
105.03377	54.6
105.04523	2.7
105.07024	1.2
108.08116	1.5
109.06498	1.2
111.08086	2.3
117.06998	1.6
119.08526	1.4
120.08115	0.8
121.06526	0.8
123.08062	0.8
129.07004	1.7
131.08559	1.3
137.05986	1.4
138.09158	1.6
144.08086	1.3
149.96988	0.7
152.93996	0.7
153.06931	0.8
159.08035	1.0
160.07571	2.5
164.10701	0.9
165.06975	0.9
171.63290	0.7
179.08554	1.1
181.06340	0.9
193.10107	0.9
202.07761	0.7
202.12247	1.0
203.08554	0.8
204.13823	1.5
205.10020	1.4
215.08618	1.2
221.09641	1.1
233.09680	1.8
251.10606	0.8
261.09085	1.1
282.14639	0.7
326.17496	1.5
327.06873	0.8
336.15854	1.1
340.18976	1.1
354.16898	7.1
358.20102	1.0
390.22745	1.6
462.23129	1.6
464.20059	0.9
480.23773	0.9
508.22974	1.3
512.26599	3.3
522.24896	2.7
540.25763	2.2
554.28381	1.0
572.28461	14.5
573.28540	1.0
632.30536	100.0
633.30853	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	633.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05500	1.2
57.03431	5.0
61.02918	1.0
69.03421	5.3
69.95721	0.5
69.96056	1.1
71.01391	0.4
71.04983	26.4
73.02894	1.3
75.04458	1.9
79.05463	0.9
81.03392	0.9
81.07037	0.4
83.04982	3.6
85.02891	40.2
86.03235	0.8
87.04448	0.9
89.03890	3.2
93.07024	0.6
95.04958	0.7
97.02898	2.1
99.04421	0.7
105.07018	0.9
107.04932	1.4
107.08607	0.6
109.02867	0.6
111.04440	1.6
117.03350	4.7
119.08584	0.7
121.10131	0.5
127.03908	2.9
129.04547	0.9
129.05455	11.4
135.04401	10.6
143.08499	0.7
145.02835	8.3
145.04921	1.4
145.10139	0.7
147.06451	2.8
161.47047	0.4
163.03877	100.0
164.04222	1.7
181.04897	1.7
213.12804	0.5
278.01340	0.4
293.10104	0.4
305.11273	0.4
307.08066	3.0
309.09515	0.5
325.09116	18.3
326.09332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2852
Annotation	Beiwutine
Peak:m/z	Relative Intensity
51.02382	1.1
53.03940	1.7
53.63774	0.4
54.48527	0.4
65.03931	0.5
67.05511	1.3
69.03414	0.9
69.07073	1.1
69.21751	0.4
70.06597	0.9
71.04987	1.2
74.06078	0.8
75.04488	1.1
77.03934	1.5
79.05492	1.1
81.03421	0.7
81.07064	1.8
83.04978	0.8
84.04510	1.3
84.74000	0.4
85.02915	1.4
85.06564	0.8
87.04463	0.6
91.05486	1.8
93.07059	1.1
94.06575	1.6
94.67109	0.5
95.04956	8.2
95.05515	0.6
95.08611	1.5
96.08142	0.5
96.09021	0.4
97.02888	0.6
97.06534	0.6
97.10133	0.5
98.06071	0.4
98.22664	1.5
99.04453	0.8
102.05534	0.6
105.03377	53.8
105.04524	2.8
105.07033	1.3
106.03716	0.7
107.04974	0.4
107.07301	0.5
107.08596	1.0
108.08137	1.7
109.10133	2.1
111.04396	0.7
115.05463	0.8
117.07037	0.7
119.04955	0.7
119.08547	0.7
120.08131	0.8
121.02884	0.4
121.06460	0.5
123.04406	1.0
124.07586	0.8
127.03873	0.7
128.06226	0.6
129.07013	1.5
130.05025	0.5
131.08604	0.7
132.08089	1.1
133.06480	0.6
134.09706	0.4
135.08075	0.6
136.07545	0.6
137.05997	0.9
137.09593	0.8
138.09175	0.9
141.06998	0.7
143.08537	0.9
144.08083	1.4
145.05133	0.4
145.06505	1.3
145.08685	1.2
145.10054	0.7
146.09698	1.5
147.04387	0.5
147.07988	0.4
147.11655	0.7
148.06056	1.0
148.07530	0.5
149.05963	0.6
153.07013	0.6
157.06483	0.8
159.04442	0.5
159.08081	0.8
160.07578	1.7
163.03952	0.6
164.07156	0.4
165.05565	0.6
165.06993	0.8
165.09097	1.0
166.07819	0.5
167.08565	0.8
170.09758	1.2
171.08072	0.8
173.06111	0.5
176.10695	0.8
177.05504	0.8
178.07745	0.9
179.07076	0.6
179.08574	1.4
181.06488	0.5
181.10182	0.7
193.10104	1.2
195.08090	0.8
197.09709	0.6
203.08594	0.9
205.10110	1.2
206.07286	0.5
207.08038	1.7
209.09689	0.9
217.10565	0.5
221.09621	1.4
223.07521	0.6
223.11270	0.5
223.53691	0.5
225.09209	0.9
231.08113	0.8
233.09631	0.6
235.07582	1.3
237.09081	0.7
249.09149	1.5
253.08514	0.9
257.13834	0.8
257.18933	0.5
260.10623	0.5
263.10602	0.9
266.11807	0.6
267.10199	1.0
275.20135	0.9
277.08478	0.7
278.11890	0.6
281.11697	0.7
292.13287	1.2
298.14365	0.8
309.11044	0.6
309.34616	0.4
324.16071	0.5
334.23920	0.4
342.17120	0.8
356.18713	0.6
370.16565	2.5
374.19870	0.7
402.18958	0.8
450.19308	0.5
460.17651	0.5
478.22601	0.7
482.21680	0.5
492.20163	0.7
496.22729	0.5
506.22000	2.5
514.24408	1.2
524.22571	1.2
538.24445	2.7
542.23560	0.6
556.25177	3.2
574.26270	8.0
575.27490	0.7
598.26434	1.7
599.26111	0.7
616.26990	1.0
634.28442	100.0
635.28662	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	635.166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09974	4.9
72.10027	0.6
82.99833	0.7
97.02870	0.6
98.23476	1.5
101.00861	3.9
113.00853	1.5
115.02404	2.1
116.76984	0.7
119.01887	6.7
125.00854	1.2
127.02408	2.7
131.01868	3.8
133.03484	1.0
135.54652	0.7
137.00830	1.0
139.02426	1.8
143.01886	8.0
145.03452	12.1
146.03455	1.1
147.01320	1.4
155.01869	15.0
157.03426	7.5
161.02937	7.0
167.01833	3.6
169.03447	5.7
171.01360	3.5
173.02930	13.5
175.04518	1.9
175.11760	0.8
179.01875	2.0
181.03448	2.7
185.02931	17.9
186.02979	1.0
187.04567	1.2
189.02412	0.9
193.03432	4.0
197.02917	15.6
198.03117	1.1
199.04497	3.8
203.03929	9.9
209.02954	4.8
211.04442	3.5
213.02365	0.9
213.06259	0.9
215.03935	1.9
221.02905	9.3
221.05045	13.5
227.03923	6.1
229.05609	1.0
239.03938	7.1
241.05609	0.8
244.98019	1.4
245.05161	1.6
251.04155	0.7
257.05072	1.9
259.06619	2.4
269.05017	21.7
270.05142	0.8
287.06061	42.4
288.06299	2.9
299.06070	12.4
300.06360	0.9
315.03690	0.9
317.07111	100.0
318.07297	7.2
359.08160	80.9
360.03912	1.3
360.08258	5.7
381.45071	0.7
459.56796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.195
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67094	2.0
71.04971	1.5
107.04988	0.6
107.08550	0.8
115.14080	0.5
133.20615	0.5
145.08571	2.7
153.01811	1.5
165.09082	0.8
166.88608	0.6
181.82269	0.5
204.08107	0.6
205.04845	0.7
258.05200	10.5
286.04660	30.5
287.05096	1.0
301.07025	100.0
302.07257	3.3
456.92844	0.7
635.19714	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	635.209
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19338	0.5
69.07033	1.8
69.07449	1.2
70.64367	0.4
84.08138	1.2
85.02923	0.5
129.10272	0.6
130.08652	0.5
135.94804	0.4
149.13318	0.5
176.04431	1.0
177.05266	1.9
178.40970	0.4
217.04755	1.0
219.06326	0.8
231.06319	1.4
247.05602	2.1
248.06610	1.4
312.37668	0.5
371.11026	1.9
379.62802	0.4
395.10916	4.8
395.61047	0.4
401.12045	7.6
410.13306	38.5
411.13907	5.1
451.15875	0.9
604.18585	1.0
605.19775	2.8
617.45160	1.0
635.20886	100.0
636.21271	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	635.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
57.03443	0.5
67.05495	0.8
71.04979	4.0
75.04463	0.6
81.07060	0.9
83.04980	2.6
85.02895	8.7
86.03235	1.3
91.05492	0.7
93.07034	0.7
93.22883	0.4
95.04980	0.5
95.08597	0.8
107.08604	1.3
109.10126	0.8
111.04447	1.4
111.08089	0.6
115.36651	0.4
118.02444	0.4
119.08583	1.0
121.67103	0.5
127.03950	0.6
129.05452	2.8
130.05817	0.6
133.10081	0.6
147.06537	1.6
153.05467	0.5
163.03954	0.4
165.09164	1.2
176.04482	1.5
177.05196	3.1
177.29134	0.4
189.05269	0.5
189.16475	0.6
199.73410	0.5
201.16408	0.8
203.18001	0.7
217.04774	0.9
231.06346	1.3
247.05771	1.1
248.06616	0.8
288.86649	0.4
293.12311	0.6
297.41275	0.5
309.11957	0.6
361.10532	2.4
363.12024	1.1
365.09799	2.2
371.10919	1.4
377.09958	3.2
379.11392	1.2
380.12283	2.5
381.13055	1.3
392.12170	3.9
393.13190	0.6
395.10980	6.5
401.11938	6.5
409.12601	0.8
410.13303	39.3
411.14090	11.4
413.11832	0.6
429.15652	0.6
437.34222	0.7
451.16052	1.3
575.18762	2.0
604.19580	1.2
605.19940	6.9
635.20874	100.0
636.21277	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	635.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22249	1.1
55.81590	1.0
67.62095	0.9
69.03433	3.6
69.88447	2.2
69.88777	1.5
85.02884	5.6
97.02883	4.5
104.29658	1.0
109.04446	1.1
115.03918	1.9
127.03912	1.4
127.94973	1.1
128.04936	1.6
130.06474	1.3
132.31279	1.1
135.04396	3.6
145.02837	2.2
146.05989	86.7
147.06317	2.3
153.03815	1.1
160.07544	2.0
163.03880	30.6
170.06052	1.4
174.05482	29.4
174.06950	1.7
183.44138	1.2
184.07547	1.2
188.07043	44.0
192.06523	100.0
193.06990	2.6
196.07521	1.5
212.07082	5.7
216.06526	5.2
234.07494	8.0
254.08145	1.4
258.07523	1.9
270.07562	1.9
281.81519	1.0
310.19943	1.1
325.09048	4.6
354.11783	30.9
355.12244	2.4
404.06097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96511	24.7
71.05430	0.3
71.95203	1.3
72.95983	0.9
74.97569	0.9
76.12784	0.3
84.95943	0.4
86.09644	0.7
86.81429	0.3
92.98574	1.0
97.23765	0.3
97.96751	1.5
98.22772	0.7
98.97524	0.6
104.10662	1.2
110.97584	1.8
115.97763	0.9
116.98533	0.4
120.99392	0.3
123.01109	0.6
128.98589	3.0
133.10056	0.3
133.98816	0.6
137.02679	0.9
143.00069	0.6
146.99623	2.3
151.04301	0.5
155.03716	1.1
159.01108	0.4
161.01212	0.5
161.04816	0.3
169.05266	0.7
185.04779	0.5
189.04279	0.9
190.05077	1.0
195.10506	0.6
203.05815	0.5
203.73254	0.3
204.06647	0.6
211.10039	0.5
213.11476	0.4
214.61780	0.4
217.07404	0.5
221.11948	0.4
222.07774	0.5
223.09978	2.5
227.09319	0.4
229.07474	0.6
239.09459	0.8
241.11098	30.4
242.11443	0.6
252.10214	0.7
257.10471	0.5
259.12158	29.9
260.12405	0.6
264.12732	2.0
266.11786	0.4
282.13708	1.0
283.40442	0.3
284.32346	0.4
319.19409	37.9
320.19788	1.2
325.20474	0.9
337.20465	100.0
338.20871	3.6
353.20105	0.4
355.21527	87.9
356.21912	3.1
360.22040	4.6
373.22610	3.1
378.23132	9.8
398.43243	0.4
412.23880	0.5
635.45575	18.4
636.45453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.1
51.02379	0.1
53.03933	0.1
53.96002	0.1
55.01860	0.2
57.40601	0.1
65.03937	0.4
67.05493	0.4
69.03416	0.8
71.01359	0.1
71.04973	0.1
77.03918	0.2
79.05482	0.4
81.03401	0.5
81.07044	0.2
85.02898	1.0
85.43775	0.1
91.05444	0.4
92.02603	0.1
94.04173	0.1
95.04980	0.6
97.02877	100.0
98.03213	1.1
99.04443	0.2
103.03935	0.1
103.05452	0.3
105.04485	0.1
107.04950	0.5
107.08560	0.2
108.02058	0.5
109.02840	0.6
109.06493	0.2
109.10126	0.1
111.04427	0.5
115.03953	0.1
115.05433	0.3
117.06953	0.1
118.06545	0.3
120.05681	0.1
123.04437	0.4
125.05976	0.3
127.03897	0.5
127.07518	0.1
128.04968	0.4
130.06480	0.6
131.04916	0.4
131.07028	0.1
132.04434	0.3
132.08063	0.2
135.04407	0.7
135.08058	0.4
137.02382	0.1
137.05931	0.6
139.03851	0.2
141.05461	0.6
143.04848	0.1
145.05156	0.2
145.08597	0.3
146.05983	23.3
147.04465	0.1
147.06337	0.5
148.05081	0.1
151.03885	29.3
151.04964	2.1
152.04172	0.5
153.05414	0.1
155.06984	0.2
158.06026	0.2
159.04424	0.2
159.06799	0.2
160.03964	0.1
160.07561	0.8
161.05959	0.4
163.03891	2.9
163.07497	0.7
166.02629	0.4
169.04964	0.1
170.06000	0.6
174.05482	6.5
175.05853	0.1
175.07524	0.1
176.04704	0.2
176.07079	0.1
177.05440	0.2
181.04932	9.9
182.05246	0.1
183.06549	0.4
184.07538	0.7
186.05515	0.1
187.71826	0.1
188.07036	12.1
189.05600	0.2
189.07388	0.3
191.07010	0.8
192.06523	20.2
193.06906	0.4
196.07571	0.4
201.05484	0.4
203.07092	0.2
204.04144	0.2
204.06392	0.1
212.07013	1.4
216.06529	1.7
219.06476	1.9
224.06979	0.3
229.04941	0.4
234.07581	3.7
235.07980	0.1
240.06549	0.2
242.08057	0.3
245.08009	0.1
247.05972	14.5
248.06351	0.5
254.08093	0.4
258.07513	0.7
258.30325	0.1
265.07025	12.9
266.07358	0.4
270.07559	1.1
271.58875	0.1
282.07538	0.2
283.08063	2.2
287.05408	0.3
288.08496	0.2
297.07333	0.1
300.08508	0.4
303.04941	0.8
306.09332	0.1
318.09601	0.2
325.06876	0.1
336.10770	0.5
349.56152	0.1
354.11758	1.1
427.12283	0.1
510.75049	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	636.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03410	2.0
60.08567	0.8
62.98149	0.9
69.03418	8.5
69.29786	3.4
69.30204	1.9
71.04984	3.0
81.03401	11.2
85.02887	1.6
91.41853	0.9
97.02892	2.5
99.04464	4.8
109.02891	1.0
115.03887	5.0
117.05487	1.9
118.06540	1.3
127.30585	0.8
128.65947	0.8
130.75253	0.9
133.05005	1.0
135.04375	1.3
145.07646	1.9
147.09157	3.0
163.03862	8.8
163.07579	1.0
163.08691	1.0
166.16376	0.9
173.07083	4.3
174.05487	0.9
175.08696	4.0
188.07022	0.9
191.08121	72.2
192.08466	1.1
271.10535	1.1
289.11853	1.9
307.12811	21.6
325.13864	100.0
326.14288	3.0
373.36505	0.9
580.04779	1.0
598.78473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1759
Annotation	Quercetin 3-(4''-acetylrhamnoside)-7-rhamnoside
Peak:m/z	Relative Intensity
55.05513	2.0
57.03423	0.5
61.02920	1.1
64.94486	0.3
67.01871	0.3
69.03423	42.0
70.06583	0.7
70.94913	0.3
71.01347	2.0
71.04990	4.6
72.08160	0.5
83.04973	11.8
85.02902	5.8
86.09666	0.4
87.04457	0.7
88.08248	0.3
91.05453	0.3
92.30196	0.3
98.22703	0.8
111.00793	0.9
111.04433	11.1
112.40557	0.3
115.44261	0.3
120.08134	0.3
121.02865	0.8
129.05464	22.5
135.08022	0.4
136.07520	0.4
137.02332	2.3
137.05956	0.4
140.40778	0.3
151.03952	0.3
153.01790	2.8
160.95763	0.3
163.03900	0.5
164.65010	0.3
165.01828	1.4
183.02849	0.8
189.07571	6.8
195.02835	0.4
201.05530	0.8
229.04921	3.2
247.06082	0.9
257.04379	2.3
274.04770	0.4
285.03940	1.1
287.05518	1.1
303.04953	100.0
304.05298	3.3
393.16891	0.4
413.08224	0.5
449.10739	6.6
491.11896	0.6
509.29932	0.5
637.24835	0.8
637.35260	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	637.225
Annotation	Unknow
Peak:m/z	Relative Intensity
98.22895	2.1
98.23591	0.6
109.10085	0.3
114.52388	0.3
119.08495	0.3
123.04415	0.3
137.05975	0.6
146.53630	0.3
163.03857	0.3
165.09090	0.8
177.05344	0.5
179.03392	0.3
189.05174	0.4
224.89981	0.3
247.09666	0.3
262.59769	0.3
268.17114	0.3
271.05948	1.2
343.11469	0.6
410.13000	0.7
425.11832	2.3
439.13663	0.4
440.14365	7.3
441.14929	1.0
453.15280	0.5
476.13126	0.3
589.20276	0.6
622.19946	0.4
637.22430	100.0
638.22821	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	637.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42707	0.6
76.25620	0.4
85.65577	0.4
100.11258	1.5
110.46487	0.4
117.54076	0.4
128.68326	0.4
129.39896	0.4
160.05154	0.4
166.69252	0.4
171.95052	0.4
189.05206	2.2
210.14839	0.5
233.07935	0.7
245.07861	1.1
382.41611	0.5
414.37103	0.5
425.11938	2.7
440.14383	6.6
441.15341	0.7
442.15939	4.4
443.16614	0.5
607.20624	0.7
637.22418	100.0
638.22729	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	637.265
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.2
69.71432	2.3
89.13631	1.1
100.11269	4.4
176.14418	1.2
202.15938	1.8
220.16884	1.6
224.19923	1.0
249.10164	1.2
265.19272	1.7
300.13538	1.3
307.73166	1.0
377.17981	1.3
389.17813	1.7
391.19019	1.2
399.16275	1.7
400.17209	1.5
401.17676	3.9
402.18909	1.1
403.19366	2.0
413.17664	2.7
414.18192	3.0
415.19043	5.2
416.19943	2.0
419.18613	3.7
427.19376	2.2
428.20059	3.3
429.20831	3.8
430.21625	4.2
431.18628	2.8
433.20618	1.7
443.17767	2.2
443.22626	3.7
444.19357	3.4
445.20169	2.2
446.21423	2.1
447.17474	5.9
457.20203	1.6
458.21121	4.4
459.18024	3.5
461.19128	2.2
462.20618	2.9
471.22296	10.6
473.19781	3.5
474.20306	3.6
475.17175	2.7
484.18481	1.6
485.19669	2.5
486.20547	3.9
487.21866	1.3
489.23621	7.2
490.19653	6.8
499.21289	18.7
501.23038	7.1
503.20724	3.1
507.23962	2.4
511.21179	1.1
514.19580	1.1
517.22284	18.7
518.21832	1.2
527.21014	2.9
529.22235	10.6
535.23334	11.9
545.21777	53.5
546.22113	2.4
555.20428	1.1
559.23120	1.6
563.23560	4.7
573.21271	16.9
577.24359	2.7
581.43335	1.4
605.23859	100.0
606.23865	5.0
618.90222	1.1
637.26477	53.8
638.26953	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	637.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42372	0.7
52.57800	0.6
53.17853	0.7
62.24482	0.7
64.92319	0.7
69.09690	4.2
69.10119	1.6
84.55592	0.6
87.66257	0.9
114.26712	0.7
118.11703	0.7
144.73190	0.7
150.83276	0.7
151.59569	0.7
159.50931	0.7
163.11432	0.8
209.10580	0.9
214.45993	0.7
231.16469	0.8
233.10771	0.9
237.55675	0.8
246.55016	0.7
374.16541	1.1
375.17111	1.1
376.17603	1.1
377.17694	2.2
378.18274	2.1
385.14655	1.1
386.15289	1.2
387.16110	1.0
388.17865	1.0
389.17810	1.4
390.18677	1.0
391.19189	2.9
392.19827	3.3
393.20331	3.6
399.16061	2.3
400.16766	1.6
401.17746	3.7
403.19101	1.2
405.21094	1.6
406.21848	1.3
407.22278	6.8
413.17789	3.6
414.18628	4.7
415.19385	6.2
416.20074	1.5
419.18478	2.6
420.19327	1.7
421.19958	4.2
428.19882	3.3
429.15881	1.2
429.21503	4.6
430.21548	2.6
431.18573	2.3
433.20316	1.4
434.21097	1.6
435.21744	4.1
436.22488	0.8
442.17361	1.0
443.17734	1.7
443.22507	3.4
444.18512	3.6
445.20432	3.8
446.21237	1.0
447.18243	2.9
456.19275	1.0
457.20700	3.7
458.20898	3.5
459.17203	1.1
461.19717	2.7
463.21158	1.3
471.22470	6.2
472.23056	4.2
473.19446	3.7
474.20688	1.9
475.17175	1.4
484.18753	1.1
485.19632	5.0
486.20657	4.5
487.21536	2.4
488.22269	1.4
489.19492	3.0
490.19522	3.6
491.20987	1.5
499.21069	8.7
500.21967	1.9
501.23053	1.4
502.20392	1.1
503.23828	2.7
513.18951	4.3
514.20227	1.4
516.21350	2.1
517.22278	12.4
521.25299	1.2
527.21082	2.4
529.22144	1.4
531.24243	8.3
543.23944	1.2
545.21881	1.3
549.25018	5.7
559.23303	72.2
560.23792	5.0
573.21277	1.1
577.24146	2.9
587.22687	12.4
591.25885	3.9
605.23700	8.1
609.26868	1.8
619.25421	80.6
620.25690	6.2
637.26453	100.0
638.26758	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	637.2653
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
63.86462	0.8
70.25512	0.8
71.09087	1.3
102.82829	1.0
102.90765	0.8
128.55046	0.7
135.40578	0.8
201.24760	0.9
389.17694	2.9
401.17941	1.8
402.18646	1.1
403.19302	2.1
404.19830	1.7
405.20886	1.4
415.15079	1.3
417.16565	2.4
417.21506	1.1
419.22626	4.1
429.17062	1.3
430.17419	1.1
431.18466	2.6
444.18915	1.2
445.20361	3.9
446.20941	2.2
447.22272	1.4
449.18927	1.0
459.21655	1.7
463.21295	3.4
475.22006	1.5
476.18167	1.9
477.19095	2.3
489.19336	1.7
490.19775	7.6
491.20599	10.1
503.20685	2.8
504.21677	1.7
517.22583	1.9
533.25452	5.6
535.20105	1.7
549.25037	1.4
577.24420	25.3
578.25006	1.6
593.27197	1.7
637.26495	100.0
638.27167	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	637.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76221	0.7
65.77314	0.7
88.23625	0.5
90.20058	0.7
114.32633	0.6
120.07976	0.7
141.33524	0.6
183.08971	0.7
195.09079	0.8
221.10486	1.2
232.20020	0.7
340.14346	0.9
344.53610	0.8
362.15619	0.8
363.16071	1.0
374.15750	1.0
377.17456	1.7
378.18237	1.0
385.14594	1.8
386.15567	1.5
387.15958	1.7
388.17999	0.7
389.17776	0.7
390.18942	0.9
391.18866	2.5
392.19681	1.1
393.20560	2.9
398.15878	0.8
399.15945	4.5
400.16837	6.0
401.17691	5.3
402.18842	1.4
405.20618	2.1
406.21356	1.5
407.22427	5.2
411.16144	0.9
412.17410	1.1
413.17780	4.5
414.18628	7.2
415.19284	12.7
416.20401	3.6
417.20801	2.0
418.18698	1.1
419.18500	2.0
421.20047	3.2
425.17563	1.8
427.19150	2.7
428.20560	5.6
429.15799	1.7
429.21307	12.4
430.21854	4.1
435.21689	2.2
436.22107	1.1
439.19254	1.7
441.17108	2.8
442.17682	2.4
443.18219	5.7
443.22488	5.8
444.18506	5.7
445.20087	2.8
447.17410	1.3
447.22406	1.0
455.18588	1.2
456.19550	1.8
457.20502	7.3
458.21167	5.7
459.17438	1.7
461.19455	0.9
469.15784	1.4
470.16953	0.9
471.22446	8.8
472.23135	7.5
473.19241	5.2
474.20181	1.6
484.18710	1.3
485.19656	2.9
486.20575	6.6
487.21198	3.6
488.21964	1.5
489.22971	1.8
490.19821	1.8
499.21301	12.6
500.21469	3.6
501.18237	0.8
502.19629	1.5
503.24844	4.7
513.18762	1.2
516.21625	1.8
517.22308	5.5
518.23059	1.0
521.25513	1.0
527.20795	2.9
528.20923	1.1
531.23798	15.9
532.24072	1.5
541.22107	0.9
543.23907	1.0
545.21667	0.8
549.24585	1.2
559.23303	100.0
560.23663	5.0
587.22882	17.7
588.22589	1.0
619.25427	95.7
620.25848	5.2
637.26538	11.5
638.26849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37868	0.9
54.37214	0.8
57.28538	0.8
58.49902	0.8
62.38662	0.9
98.22644	2.6
144.08051	1.4
176.14352	1.2
202.15865	7.7
203.16304	1.6
220.16969	6.2
221.17410	1.6
225.05588	0.9
300.13568	5.6
301.13931	1.5
333.12839	1.0
378.18851	1.1
385.14761	1.1
388.17776	1.1
389.17725	1.1
390.18762	1.3
391.19345	2.8
399.16043	2.5
400.16965	2.6
401.17719	4.7
402.18582	1.3
403.19229	2.0
405.21115	1.1
406.21378	1.3
407.22217	2.5
413.17685	3.8
414.18481	3.4
415.19464	8.6
417.21283	1.9
419.18286	2.8
419.23187	1.8
427.19440	1.5
428.20065	3.3
429.21445	5.1
430.21628	2.6
431.18546	3.0
434.21237	1.4
443.18250	3.2
443.23026	2.7
444.18896	5.1
445.20175	3.3
446.20947	2.1
447.17197	5.8
456.19620	1.8
457.20477	2.8
458.21072	5.2
459.17899	1.5
461.19830	3.0
462.20642	3.0
471.22296	11.2
472.22168	3.8
473.19833	4.1
474.20639	3.5
475.17169	2.5
475.22229	1.8
484.18829	1.1
485.19980	2.9
486.20389	5.4
487.21057	1.9
488.22253	1.5
489.23047	7.9
490.19553	8.2
499.21249	18.9
500.22028	1.9
501.23206	6.6
502.19733	1.6
503.20755	2.1
507.23962	4.6
514.19977	2.2
516.21411	1.8
517.22327	21.5
518.22424	1.4
521.22083	1.5
527.20807	3.7
529.22168	12.2
531.24127	2.1
535.23407	12.0
545.21802	50.7
546.22180	4.6
559.23242	12.9
563.23029	3.4
573.21277	16.1
574.21796	1.7
577.24634	2.4
605.23853	100.0
606.24103	8.1
619.25470	2.0
622.48987	1.1
637.26526	60.9
638.27075	5.7
649.92114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.5
67.05489	4.9
69.03372	1.7
69.07051	7.3
69.75979	5.7
69.76334	2.5
71.04986	3.1
73.06544	3.2
74.74126	2.1
79.05493	3.7
81.07040	6.8
83.01337	3.1
85.02888	8.2
90.87972	1.7
91.05470	3.4
93.07030	4.4
95.04897	2.8
95.08595	4.9
105.07021	2.1
107.04947	2.8
107.08556	7.5
109.10181	11.6
111.04389	2.3
113.02354	37.4
119.08554	2.1
121.06470	3.5
121.10114	4.0
123.04395	8.2
127.11203	2.8
133.02832	5.6
135.11659	6.0
137.06009	3.4
139.03896	3.3
139.11163	5.0
147.04379	5.9
151.03893	5.4
153.05409	10.9
153.12703	6.3
161.05957	2.5
161.65898	2.0
162.03151	5.0
163.03909	2.9
164.04675	2.8
165.05463	14.2
166.06226	2.3
167.03366	3.8
167.06975	2.9
173.06003	2.5
175.07527	2.6
177.05450	10.3
179.03381	6.3
179.06903	1.9
181.04980	2.5
185.05852	2.4
187.07445	2.3
189.05470	7.7
190.02618	6.3
191.07016	4.0
192.04115	5.6
193.04973	15.4
197.06052	2.7
201.05476	3.5
203.07025	6.8
205.04921	64.5
205.06818	3.4
205.08447	3.5
207.06454	16.1
211.07530	4.7
213.05418	5.0
215.07001	3.9
217.04916	8.8
217.08542	4.6
219.06480	13.4
225.05432	3.4
227.07014	9.4
228.07712	2.6
229.04947	3.4
229.08549	3.2
231.06497	12.2
231.10146	3.0
235.05849	2.3
238.06267	2.8
239.07028	8.1
240.07855	3.7
241.04930	8.4
241.08543	4.6
243.06575	3.0
243.10182	2.2
245.04523	2.1
245.08011	4.5
255.06514	4.9
256.07114	2.3
257.08099	6.5
259.09647	6.8
263.06903	2.8
265.04364	2.1
267.06540	7.5
269.04453	2.9
269.07755	2.3
271.09634	7.0
272.06726	3.3
273.07602	5.7
273.11264	3.2
273.14777	3.9
275.12582	2.0
280.55695	2.1
281.08008	7.5
283.06052	3.0
283.09286	2.5
284.06561	2.3
285.07553	14.4
286.04742	2.3
286.07935	2.9
287.09180	7.7
289.07190	3.2
293.08060	4.7
297.07700	3.0
299.09067	8.0
300.09854	5.1
301.07028	27.5
307.06049	2.9
309.07526	7.8
313.07025	12.0
315.08682	16.2
316.09360	45.5
317.10071	6.3
323.05563	2.9
323.09027	3.4
327.08514	3.5
327.15714	6.8
328.09360	23.9
336.06210	3.2
337.07031	10.5
338.07553	2.7
341.10129	7.2
351.08511	13.1
353.10132	5.2
354.07025	2.7
355.11877	4.6
363.08459	2.7
367.11511	3.7
369.09521	8.5
369.13434	6.4
379.08124	4.1
384.15454	9.9
397.09091	19.8
401.12180	6.2
411.10684	4.3
429.11536	13.5
437.15686	3.2
455.20731	5.0
456.21387	69.8
457.21497	5.1
465.15195	9.8
468.21597	4.5
485.28973	6.3
519.19916	16.2
524.27625	100.0
525.27917	6.0
537.20795	8.2
551.22711	9.1
563.21832	3.0
587.25818	4.8
605.27136	7.5
619.29449	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	637.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28490	1.2
57.03908	1.1
69.09943	7.9
98.22621	2.2
116.29156	1.4
120.99286	1.3
155.08229	1.7
162.12787	1.2
391.19247	3.5
392.20096	1.5
394.50183	1.2
397.83612	1.1
400.16547	1.3
401.17383	2.4
402.19061	1.2
404.20663	2.2
405.20773	5.5
406.21545	5.6
414.18338	2.9
415.19260	4.8
416.20227	1.7
417.21255	1.9
419.22412	2.5
420.23282	4.4
421.23755	9.6
427.19354	2.2
428.20062	3.8
429.20776	11.9
430.21338	4.1
433.19559	1.9
433.24515	2.5
434.24878	2.6
442.21390	1.9
443.22354	7.5
444.23538	7.3
445.20187	4.4
447.17776	1.7
456.19510	1.6
457.24863	6.6
458.24924	9.5
459.21835	9.4
460.22482	7.2
461.19312	8.8
470.21393	2.1
471.22079	2.7
472.22678	10.0
473.18973	1.8
473.23691	2.0
475.20850	6.0
476.21838	8.5
485.23441	19.6
486.20084	3.7
486.24518	3.3
487.20486	2.7
488.21973	7.3
489.22864	2.3
499.21692	2.8
500.21829	2.7
503.24387	25.0
504.22217	1.4
505.21906	2.2
513.23010	5.8
514.23438	1.6
517.25916	13.1
529.25958	3.0
535.27057	33.2
536.27246	1.8
545.25385	100.0
546.25714	9.3
563.26556	7.0
573.24902	22.2
574.25818	2.4
605.27533	83.1
606.27832	7.2
637.30115	99.5
638.30841	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	637.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01465	0.2
58.80536	0.2
61.97976	0.2
65.43654	0.2
65.50027	0.2
68.21120	0.2
69.07011	0.4
69.36076	1.1
73.09063	0.2
75.73216	0.2
76.75562	0.3
81.07014	0.3
91.70284	0.3
93.06992	0.4
95.08566	0.3
105.06995	0.3
121.06487	0.3
128.96219	0.2
131.04874	0.6
133.02887	1.2
133.03693	0.3
137.36481	0.3
149.05984	0.5
151.34492	0.2
162.03044	1.1
176.38818	0.2
177.05399	0.2
183.37592	0.2
190.02614	2.0
193.04941	3.5
199.03644	0.2
205.04951	12.2
206.05266	0.7
207.06514	0.3
208.56052	0.2
219.06528	1.3
233.08040	0.6
237.07556	0.7
241.11868	0.3
247.09639	1.2
257.11237	0.6
273.11130	0.3
319.22275	0.8
329.17557	0.9
341.20602	100.0
342.20947	3.3
361.20154	0.3
382.23282	0.3
423.62521	0.3
537.34283	1.5
553.33417	0.6
619.41345	0.7
637.42828	7.7
638.43567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82569	0.5
51.02365	0.5
53.03949	2.5
55.01871	0.8
55.05504	1.3
57.03424	0.9
67.05154	1.1
67.05497	16.0
69.03416	6.5
69.07061	1.0
69.27099	3.1
70.06564	0.7
71.04981	1.6
73.02943	0.5
79.05469	1.6
80.60151	0.6
81.03407	17.3
81.07041	8.6
85.02893	5.1
91.05466	1.7
93.07030	3.4
95.04962	3.6
95.08591	7.1
97.02885	6.5
97.06538	0.8
98.22765	1.2
99.04452	2.9
99.08072	0.7
107.08584	2.5
109.02866	17.6
109.06512	2.1
109.10142	44.4
111.04451	1.4
115.03901	1.6
119.08594	2.9
121.02911	0.6
121.10123	1.6
125.05964	1.8
127.03893	12.2
129.05463	0.6
135.08043	1.5
137.09596	100.0
138.09929	1.4
145.04869	0.8
147.07962	0.9
148.07512	0.9
155.10641	6.6
161.09636	0.5
162.07646	0.5
163.07576	0.7
165.09094	88.0
166.09398	1.9
183.10139	8.0
201.11191	12.0
217.12123	0.5
225.11183	0.8
245.11688	0.7
273.11087	0.6
288.05701	1.1
291.12198	9.5
309.13281	52.0
310.13513	1.9
327.14328	22.2
328.14609	0.9
345.15359	4.7
369.15244	1.1
435.16431	1.2
453.17441	4.6
471.18683	4.4
489.19543	1.4
506.32306	0.6
638.25690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01852	2.4
55.05494	2.2
57.03426	18.2
59.04979	4.5
60.39135	1.4
61.02905	4.4
64.00513	1.2
67.05492	18.9
69.03418	83.4
69.07065	1.4
69.26068	6.7
71.04974	4.0
73.02888	2.8
75.04464	1.4
79.05479	3.4
81.03403	21.6
81.07048	11.5
83.04955	1.9
85.02889	65.4
87.04456	52.6
87.70686	1.1
91.03946	1.2
91.05482	2.5
93.07008	4.5
95.04953	4.5
95.08614	7.3
95.09179	1.5
97.02876	76.7
99.04432	8.4
99.08069	1.4
101.02342	1.6
105.07006	6.5
107.08595	2.4
109.02853	23.3
109.03535	1.8
109.06503	2.7
109.10136	51.7
111.04436	2.3
115.03911	91.4
116.04288	1.6
119.08548	3.9
121.10114	1.2
123.04428	2.6
124.05192	5.9
125.05980	2.9
127.03899	30.4
127.04855	1.5
133.04942	100.0
133.06505	4.8
135.08008	1.2
137.05994	8.6
137.09590	96.8
145.04926	16.9
147.07942	1.7
151.06012	1.4
151.07513	1.1
155.10645	6.5
163.03877	2.1
163.06024	5.9
163.07265	1.4
165.09085	97.5
166.09424	1.6
169.04951	2.1
175.03899	1.1
176.11969	1.0
183.10115	7.1
201.09404	2.2
201.11179	11.8
205.07170	1.5
223.05936	1.2
225.11240	1.4
241.07011	4.4
259.08109	6.5
277.09149	3.8
279.88611	1.2
281.13998	1.7
291.12225	5.2
295.10266	5.8
309.13254	18.8
325.11322	2.1
327.14310	25.8
328.14795	1.4
345.15460	1.6
369.15225	2.9
435.16489	4.1
453.17407	14.8
471.18457	17.8
489.19458	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	638.28
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	19.6
81.03402	1.1
85.02901	0.9
91.05438	1.7
95.04946	0.6
97.02901	0.7
99.04443	100.0
100.04778	1.3
103.05485	0.4
107.04959	1.1
119.04898	0.8
122.03607	0.5
129.06979	2.1
131.04890	0.6
137.05960	11.1
145.06462	0.4
151.03917	0.5
151.07513	6.5
157.06471	1.7
161.05991	1.3
161.09660	1.0
163.07561	1.5
165.07021	0.7
167.07065	0.5
174.06808	0.8
175.07550	1.1
179.08612	0.5
187.07582	0.4
189.09061	5.4
193.06462	1.1
193.10123	1.5
210.06737	0.5
211.07394	0.4
221.05998	1.3
221.09483	1.7
224.08308	0.4
225.09088	1.4
227.10626	0.5
249.09117	0.7
252.07709	0.5
253.08585	1.4
253.12140	4.0
267.10092	1.2
272.10541	0.5
281.11621	2.5
285.11160	3.2
287.12808	0.7
293.11288	0.4
305.13812	2.7
313.14313	12.0
314.14682	0.8
331.15363	6.0
339.12134	1.3
399.87390	0.3
411.17941	2.2
429.19012	30.2
430.19485	1.7
639.22882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
57.07898	0.3
59.83246	0.3
63.02378	0.4
65.03915	0.4
67.05497	4.2
68.99798	0.8
69.07054	3.1
77.03911	0.5
79.05488	0.8
81.07051	3.3
83.01323	0.8
83.04986	0.7
83.08591	0.4
84.28219	0.4
86.09721	0.4
89.54735	0.3
91.05468	2.3
93.06990	2.5
95.04963	0.7
95.08598	1.3
103.05484	0.8
105.04478	0.5
105.07022	1.6
107.08565	2.1
109.06516	0.5
109.10142	8.0
111.11760	0.5
115.05410	0.5
119.05004	0.4
119.08546	0.5
121.06490	6.1
121.09405	0.4
121.10143	2.4
121.95605	0.3
122.03685	0.5
123.11678	0.9
131.04910	1.8
133.02840	10.1
133.10167	0.6
134.03610	1.6
135.11676	1.4
137.05968	2.0
146.98189	0.3
147.04413	1.4
149.02299	0.6
149.05977	3.6
159.04427	1.2
161.05960	0.4
162.03110	11.3
165.05455	1.5
175.03824	0.5
177.05388	2.2
178.02606	4.6
189.05510	0.8
189.16359	0.5
190.02589	19.8
191.03288	1.0
193.04944	50.2
194.05247	1.2
199.03854	0.4
203.07028	0.4
205.04939	100.0
206.05206	2.6
207.06488	3.3
213.05412	0.6
217.04997	0.7
219.06474	4.9
227.06898	0.4
229.04956	0.9
231.06432	0.9
233.08099	2.1
243.06458	0.6
245.08104	1.6
246.07578	0.5
247.09662	1.3
257.07996	0.9
259.09671	1.1
261.11197	2.1
271.09616	1.5
273.11234	3.1
283.09671	1.2
285.11182	6.4
286.11563	0.4
297.11078	1.0
299.12595	0.8
301.10709	1.9
303.12067	0.5
311.12915	0.7
313.14349	1.1
325.14282	1.4
327.15802	7.0
331.52893	0.4
339.15912	2.2
343.15305	1.3
353.17413	0.5
395.21982	2.5
397.08853	0.8
540.30072	0.8
587.26227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69573	0.4
54.32038	0.3
55.05490	0.5
65.03941	0.4
68.97353	0.4
68.99772	0.7
69.07063	1.2
77.71687	0.4
81.07033	0.9
83.01320	1.2
83.67647	0.4
87.68901	0.4
91.05453	1.5
93.07005	1.2
95.04951	0.5
103.05481	0.6
109.06550	0.5
121.02855	0.5
121.06488	4.6
123.11696	1.0
131.04926	3.2
133.01926	0.5
133.02832	10.5
133.06282	0.6
133.10275	0.4
134.03682	0.5
137.05931	2.3
147.04384	0.6
149.05956	2.9
159.04373	1.4
162.03091	7.0
165.05455	2.8
173.05965	0.5
177.05457	1.8
178.02592	1.7
179.02936	0.5
190.02580	16.4
191.02892	0.5
191.07045	0.6
193.04938	30.2
205.04933	100.0
206.05315	1.6
207.06525	1.6
219.06477	7.6
225.07474	2.0
233.08035	5.1
237.07530	6.2
246.07564	0.6
247.09601	10.7
251.09116	0.6
251.29977	0.5
259.09589	1.1
261.11209	1.4
273.11212	3.3
280.76459	0.4
282.51089	0.5
286.41434	0.4
299.13330	0.4
329.17444	7.3
341.20599	29.1
342.20932	13.5
361.20059	1.6
371.71802	0.5
496.91864	0.5
569.22675	0.6
637.42249	0.8
638.42773	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	639.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24268	3.2
62.51733	2.4
134.07115	2.6
178.46939	3.1
331.09943	100.0
332.10410	3.8
388.39819	2.8
395.57947	3.4
425.78015	2.9
542.96613	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2803
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
70.59202	2.5
98.33477	1.8
122.09633	2.0
124.53022	1.9
129.07048	1.7
147.54678	1.8
155.73537	1.8
174.36804	2.1
199.64542	1.7
209.10625	2.0
211.12367	3.1
222.12840	4.3
223.12239	3.7
224.13135	6.8
225.13895	5.8
237.13808	4.9
238.14819	2.2
239.08113	3.5
239.11777	2.7
239.15491	3.2
252.12605	3.0
253.13304	2.5
267.14920	3.8
325.11865	3.3
340.10953	2.4
407.19183	2.3
434.17404	2.1
502.19946	3.3
536.25220	3.0
537.25317	2.4
564.23212	3.0
569.27148	2.8
571.22363	2.3
579.25854	6.4
594.26227	3.8
596.26318	3.5
597.26855	11.8
607.25403	20.2
611.28735	15.0
630.26880	2.0
639.28027	100.0
640.28186	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	639.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38206	1.9
67.05519	2.1
69.18972	11.2
75.87408	2.1
79.05484	4.6
134.05988	14.3
144.68643	2.4
144.93544	1.9
172.03961	5.4
174.17410	2.1
196.09993	2.4
201.62656	2.1
204.06548	8.0
209.10680	4.3
211.12193	2.4
222.11363	3.4
223.12341	2.4
225.13788	5.5
229.82936	2.4
235.08524	2.2
237.10225	3.5
237.13800	4.0
249.10173	5.4
250.11047	2.7
251.08109	3.1
251.11864	3.8
264.08801	2.4
265.09750	2.4
265.13504	2.2
269.12744	2.2
277.09717	3.1
279.11325	2.5
314.12985	2.8
325.12091	3.3
337.11786	10.8
339.13385	3.2
352.14957	3.0
354.12164	3.7
374.39868	2.1
384.17020	2.3
403.19250	3.4
415.15225	3.9
417.16382	2.6
429.16983	2.9
431.18680	7.7
444.19281	2.9
445.20108	6.4
446.20926	5.8
447.21628	8.4
459.21973	4.5
460.22546	2.6
472.18710	6.8
473.19266	3.1
474.20355	4.0
475.21109	6.5
487.21478	12.5
488.21518	2.6
489.22910	2.3
500.18066	6.9
501.22903	4.0
506.23013	9.6
516.21802	2.4
519.23816	3.8
532.20618	8.9
533.25153	2.1
534.22571	3.3
547.23273	17.1
561.24969	72.7
562.25226	8.0
589.23993	7.0
607.25452	76.4
608.25708	8.4
621.26971	100.0
622.27283	10.3
631.95227	2.2
639.27753	12.2
639.39789	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	639.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61027	5.3
76.35728	4.2
79.80344	4.4
154.17599	4.5
194.79164	4.9
210.25861	4.6
318.61505	5.0
403.19272	7.7
404.19586	5.6
405.20605	22.1
419.22327	13.3
433.23892	7.8
449.19553	15.4
463.21078	16.0
464.22272	8.5
465.22720	9.7
477.22653	8.3
478.23434	7.2
479.24350	39.2
493.26080	38.4
501.23013	6.4
523.23145	16.3
537.24750	51.4
547.23126	7.5
551.26288	20.1
552.27246	98.0
553.27216	11.9
579.25488	7.7
607.25482	22.7
639.18695	7.7
639.28113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02794	1.4
54.06773	1.3
57.19173	1.6
58.74582	1.3
59.03910	1.3
70.36061	1.3
87.44649	1.3
108.12933	1.3
126.02126	1.7
151.33064	1.4
188.10243	1.4
231.13979	1.6
356.01147	1.8
390.18494	2.4
391.19073	3.0
392.19968	2.3
405.20724	5.4
406.21509	4.5
407.22198	9.1
419.21921	3.0
420.23111	3.7
421.23764	11.2
422.24539	2.7
433.24084	2.1
451.21347	5.4
465.22815	12.0
503.24692	7.0
507.27530	4.9
508.28110	2.4
523.23181	2.0
533.25360	1.8
535.27124	12.9
537.25183	7.6
551.26349	2.8
552.27216	20.3
561.24609	3.9
573.10535	1.5
579.25818	8.6
579.95569	1.6
580.26825	3.0
593.27399	1.6
595.29205	8.4
621.26849	21.7
639.27972	100.0
640.28326	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	639.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08193	1.1
88.12864	1.2
98.23449	2.0
105.07027	1.4
120.08110	1.2
124.76921	1.1
127.15514	1.2
147.65329	1.1
157.69092	1.1
161.42633	1.2
169.28441	1.1
175.86992	1.0
210.11440	1.3
221.10793	1.7
222.11472	1.7
223.12303	4.4
224.13081	1.1
225.06798	1.2
235.12294	2.2
236.13019	2.6
237.13811	4.3
238.14598	3.2
246.11563	1.7
247.12219	1.9
249.10280	1.2
249.13914	2.8
251.11751	1.3
251.15393	3.4
252.16118	1.7
261.13867	3.2
263.11652	1.4
265.13202	1.5
277.13113	1.3
279.15015	2.4
298.13300	1.5
299.10175	2.1
312.14893	1.6
312.91605	1.2
330.16281	1.1
364.17673	1.5
379.19489	2.0
393.16721	2.1
393.21164	2.2
395.18619	1.4
402.18927	1.2
403.19363	1.5
406.21906	1.5
407.18524	5.3
409.19708	2.1
410.20990	1.5
414.21762	1.4
420.15369	1.3
421.20328	3.0
422.21033	2.5
423.21677	1.2
431.18893	1.8
433.16098	1.6
435.17657	2.4
445.20178	1.7
448.19104	1.4
449.19882	1.9
450.20074	1.8
451.21405	1.8
459.21729	1.6
463.21048	1.8
464.22885	1.3
475.21509	2.1
477.23517	1.7
478.19968	1.9
479.20801	1.6
481.26044	2.8
482.22690	1.6
494.23651	2.6
496.24857	2.1
501.22656	1.7
503.24152	2.0
509.25525	16.1
510.25775	3.0
519.23877	3.4
522.22339	2.5
536.24219	1.4
537.25104	14.6
538.25122	1.6
538.61707	1.2
547.23291	1.5
551.26685	6.0
561.25165	6.7
563.26367	2.0
565.24384	14.8
566.24414	2.0
567.29529	2.7
569.27454	18.5
570.27277	1.6
579.25726	4.6
589.24194	2.0
595.28845	1.6
596.26257	2.2
597.26971	100.0
598.27563	8.9
607.25336	9.5
611.28497	11.9
621.27014	13.3
622.27777	5.6
639.28259	31.7
639.39618	4.4
640.27765	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	639.2803
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
54.52859	3.2
60.98865	2.9
63.61760	2.8
69.14454	21.5
91.05473	3.5
92.58583	2.9
100.59339	2.9
111.90984	3.4
123.10979	3.4
123.37319	3.1
148.69376	3.2
163.23344	3.1
229.46785	3.3
241.61818	3.3
260.31699	3.6
314.16223	3.8
391.19119	7.3
397.55023	3.2
405.20541	12.8
406.21793	4.8
420.22772	9.1
421.23618	7.0
452.21729	4.8
465.22760	41.3
479.24240	4.9
488.22345	5.0
503.24170	26.5
521.25488	14.9
537.24646	10.4
565.24359	48.8
580.27106	16.2
607.25665	16.5
639.28027	100.0
640.28400	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	639.2807
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
50.44197	0.9
50.56985	0.9
58.51435	0.9
63.33381	1.0
67.05474	1.2
69.66050	3.9
76.75169	1.2
79.05511	1.4
81.07036	1.7
91.05472	2.1
93.07047	1.9
116.04931	1.4
120.04447	2.4
120.08073	6.4
122.09675	3.2
144.04419	2.0
146.06000	3.3
148.07545	1.8
153.16457	1.1
172.03914	5.5
187.08638	1.6
197.10767	2.8
199.08682	1.3
204.06529	11.7
209.10728	1.5
211.08705	2.2
223.08670	1.6
223.12422	1.2
225.10251	4.1
227.11824	4.4
236.09479	3.3
237.10249	2.8
239.11818	2.0
249.10269	4.9
250.11029	1.3
251.11734	4.3
253.09740	2.1
253.13454	2.1
261.10425	1.5
263.11584	1.4
265.09686	3.2
277.09738	1.7
279.11234	5.3
285.12442	4.2
297.12506	1.3
301.15424	1.5
307.10678	1.9
309.12457	2.4
311.14032	2.6
314.13037	3.8
325.12149	3.1
326.12869	1.8
327.13971	1.7
328.10867	1.3
328.14484	2.8
329.15372	1.3
339.13501	3.1
340.14496	3.5
342.12399	5.3
342.16064	3.8
352.14780	1.3
353.15292	1.2
354.12326	3.6
354.16241	1.6
355.13129	2.8
356.13937	5.2
357.14774	3.4
358.15512	1.9
367.13025	1.3
368.13922	4.2
369.14636	2.2
370.15445	5.8
382.15628	3.0
383.16333	2.3
384.12927	1.2
384.17133	5.2
396.13284	1.4
398.14822	1.5
400.16812	1.5
410.14944	3.0
412.16595	2.9
416.19571	1.4
417.17148	1.3
420.15738	1.3
426.18222	3.0
430.17758	1.3
431.18457	1.6
433.16632	2.3
434.17389	1.4
435.18222	3.3
442.17728	1.8
444.19168	12.1
447.18359	1.9
448.19537	1.3
449.19470	5.4
452.15924	1.5
458.21552	1.2
463.21548	2.0
470.17209	3.8
491.20007	1.9
504.20627	1.3
519.23889	1.7
521.21179	1.2
533.26093	1.9
551.26385	15.9
561.25531	1.6
579.25830	18.2
589.24609	1.6
597.26703	1.6
607.25305	10.2
611.28540	69.1
612.28723	6.2
621.26825	4.1
639.28052	100.0
639.39087	3.9
640.28400	6.7
656.75873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.43685	1.4
57.02873	1.7
59.57187	1.7
64.65784	1.6
69.29221	6.7
69.29625	2.8
72.43307	1.6
79.05460	2.5
83.19894	1.6
232.50317	1.8
391.85318	1.9
431.23077	2.3
434.20889	2.0
445.20200	2.9
446.20731	2.2
449.19418	2.4
459.22275	2.3
460.22589	3.3
462.20395	1.9
465.22894	3.6
474.20825	4.5
475.21213	4.4
486.20825	2.1
487.21112	5.1
495.62289	2.1
501.22937	7.8
502.19449	3.7
503.20728	4.5
506.23285	2.1
519.24133	6.1
521.25464	2.1
529.22577	3.6
532.21277	2.2
537.25220	5.3
547.23297	18.9
548.23663	2.7
561.24677	4.1
565.24493	7.4
575.23102	7.4
579.25781	7.5
589.24335	2.9
597.27069	5.1
607.25427	62.1
608.25732	4.1
621.27136	8.0
639.28119	100.0
639.40100	14.4
640.28503	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	639.2811
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
60.72720	1.5
70.09011	1.6
79.05495	1.5
80.01337	1.5
91.05479	2.3
120.04494	2.3
120.08090	8.6
122.09665	2.4
125.45143	1.6
128.39597	1.5
146.06136	2.2
150.09180	2.6
172.03896	8.0
183.09209	1.9
191.07135	2.2
192.95982	1.6
197.10809	2.4
202.81053	1.7
204.06577	11.4
211.08717	4.3
225.10277	5.2
227.11880	7.6
233.40222	1.9
235.08859	2.5
237.10286	2.0
249.10330	4.8
250.11092	2.3
251.11963	2.9
253.09669	3.3
253.13559	2.1
263.08276	2.4
263.11899	2.3
265.10104	2.6
267.11273	2.2
277.09857	3.5
279.11255	6.3
281.13007	1.9
285.12476	4.6
297.12640	2.5
299.14105	2.2
311.14053	4.4
314.13129	3.9
325.11819	4.2
326.12906	2.9
327.13800	4.1
328.14569	5.7
339.13614	5.3
340.14471	3.8
341.11688	3.5
341.15375	1.8
342.12292	7.1
342.15891	3.8
353.11578	1.9
354.12408	4.8
355.13229	3.4
356.13913	6.2
357.14630	5.1
368.14032	6.4
370.15442	7.9
382.15851	3.7
383.16348	5.1
384.17047	8.1
404.12555	1.9
410.15393	1.9
412.16455	3.5
419.14813	2.7
420.15884	2.2
426.18338	2.8
430.17703	2.4
433.16501	3.0
442.17630	2.6
444.19171	14.1
445.19962	1.9
449.19724	5.6
462.20584	1.9
463.21542	3.6
470.17328	4.2
491.24573	2.2
502.19708	2.8
521.21686	3.4
551.26520	19.2
552.26801	3.7
579.26135	19.0
580.26953	2.3
597.28046	2.1
607.25439	12.9
611.28589	75.2
612.28906	8.4
621.27130	3.9
639.28076	100.0
639.39044	3.2
640.28058	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	639.2807
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.93902	0.7
51.52196	0.6
66.52827	0.6
69.69138	1.1
142.42371	0.6
142.85146	0.7
166.88091	0.6
167.05849	0.6
198.97514	1.5
205.04996	2.4
312.06137	0.7
385.16165	1.0
391.15289	0.9
407.18594	2.0
419.19128	1.5
420.15305	1.1
421.20392	5.8
422.21115	2.2
433.15820	1.2
434.16901	1.4
435.17667	3.6
436.22635	3.3
439.34753	0.9
440.21841	1.3
447.22458	1.0
448.18661	3.5
449.19608	11.5
450.20526	3.3
451.21237	1.9
461.20087	1.6
463.21661	6.0
464.22113	5.7
465.22726	1.3
475.21408	1.7
477.18658	5.8
478.19928	1.9
479.20520	0.9
491.20239	0.7
492.21362	1.4
495.23975	0.9
505.23157	1.1
521.22382	1.4
522.25397	0.8
523.23651	2.2
533.22388	1.0
535.23425	5.3
536.24255	1.6
537.24146	0.7
549.21210	1.1
550.25421	1.1
551.26489	2.7
554.25385	1.4
561.24982	4.2
564.23486	5.4
565.24188	2.4
567.25250	0.9
579.26196	7.2
581.23737	1.1
595.25562	2.0
610.26868	1.1
621.27246	3.6
624.25476	5.9
639.28058	100.0
640.28326	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	639.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87764	0.7
56.55114	0.8
58.63594	0.7
65.99844	0.8
71.43844	1.0
75.49342	0.7
130.67586	0.8
185.04211	10.9
199.03917	1.1
205.04932	6.2
206.05391	1.4
207.06491	1.2
231.06395	1.0
350.83887	0.8
402.93448	0.8
426.33133	0.9
522.21808	1.1
633.87402	0.8
639.38611	100.0
640.38629	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4318
Annotation	Sporidesmolide I
Peak:m/z	Relative Intensity
55.05503	2.0
56.05013	0.3
57.07065	1.0
58.06594	5.9
69.07043	0.3
69.32690	1.2
70.06579	0.6
70.22884	0.2
72.08147	11.8
73.06550	1.8
73.80726	0.2
83.04977	1.5
84.08115	0.7
85.08946	0.5
86.09697	20.2
98.06033	0.4
98.09669	0.5
100.11243	100.0
100.44798	0.2
101.06011	2.1
101.11558	1.1
122.05951	0.3
126.09098	0.3
128.10733	0.4
132.10201	0.3
140.14328	3.2
140.65268	0.3
144.10147	0.3
146.11755	2.7
154.12247	1.9
154.15874	0.7
172.13283	2.6
182.11803	0.5
189.78806	0.2
200.12814	0.5
200.16443	1.6
211.14415	0.4
214.14369	0.7
228.15923	6.8
249.19478	0.3
285.21704	4.2
299.23270	6.7
313.21201	0.6
327.22720	11.0
328.23300	0.3
367.25616	0.3
394.27112	0.4
395.25333	0.8
412.32095	0.3
426.78229	0.3
440.31253	2.0
458.32217	3.6
484.33597	0.6
512.33331	0.4
526.34814	0.5
540.36548	0.3
561.25525	0.3
572.16577	0.3
611.43713	19.1
612.44098	1.8
639.43176	5.2
640.43335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
53.76472	1.3
54.68794	1.3
55.01861	2.1
55.05256	2.2
55.05504	25.5
57.03410	3.1
59.04993	24.4
62.10683	1.3
69.03420	21.0
69.39548	6.7
71.04969	2.3
73.19649	1.4
78.91690	1.5
79.05460	2.7
81.03410	16.2
83.04971	80.7
84.05293	1.7
85.02895	31.4
91.05461	11.1
95.04935	4.2
97.02884	40.9
98.23475	2.4
99.04432	5.5
101.06007	22.0
103.05444	2.6
105.06995	3.2
107.04933	4.3
109.02870	16.2
109.06493	1.5
111.04395	4.1
115.03904	4.6
115.05448	1.7
117.06947	1.5
119.04933	9.2
119.07024	5.6
121.06492	4.0
122.03612	2.6
127.03898	25.0
128.06224	1.8
129.06970	6.2
131.04912	6.5
133.06424	1.8
135.07994	3.5
136.05135	1.7
137.05956	67.8
138.06319	2.1
143.04904	1.5
143.08536	1.6
145.04924	18.7
145.06436	3.0
149.05943	7.9
151.03899	3.7
151.07521	53.8
157.06473	5.6
161.05956	13.2
161.09619	2.5
163.07527	27.2
165.07002	1.8
165.09055	3.5
167.07094	2.3
167.08543	5.8
171.07932	1.5
174.06787	2.6
175.05965	5.4
175.07541	8.9
177.09093	27.8
179.06868	1.5
181.06477	1.5
187.05965	5.5
187.07533	3.0
189.09081	23.6
191.07021	1.7
191.10672	1.5
193.06444	2.9
193.10117	4.4
194.07155	2.2
195.08041	11.6
195.10037	2.9
203.06940	2.3
203.10593	1.5
207.10181	4.5
209.07993	5.0
209.09721	3.2
210.06686	1.5
211.07552	2.6
212.08345	1.8
213.09160	2.1
215.07091	2.3
215.09081	8.0
219.10191	2.9
221.05957	4.6
221.09581	3.9
221.11763	4.2
223.07387	7.0
224.08282	2.2
225.09032	5.4
227.09010	4.4
227.10887	13.2
233.10068	1.7
237.09218	2.1
240.07512	1.7
245.10135	26.0
249.08951	2.9
249.11238	3.5
253.08493	7.9
253.12262	7.7
255.10159	16.7
263.11331	1.5
265.08499	3.1
267.10175	3.3
269.08075	3.6
269.11954	1.5
281.08603	1.7
281.11691	3.6
284.10422	3.0
285.11243	12.0
287.12753	22.9
293.11548	2.7
297.11218	5.9
299.12793	7.2
309.11270	3.9
311.12735	8.8
313.14267	18.7
323.12570	2.3
331.15347	100.0
332.15643	4.0
335.12653	2.5
337.14160	1.9
341.13867	3.4
343.15396	28.1
353.13565	2.6
355.15250	5.7
367.15231	5.4
371.18652	3.4
379.15308	4.1
385.16556	3.1
397.16391	6.2
403.15231	3.1
413.19604	8.3
421.16449	19.8
439.17575	7.9
457.18338	2.3
467.43182	1.5
521.21667	3.4
539.22290	5.4
557.23492	5.4
575.24658	2.9
640.19324	5.8
640.29120	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	640.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01852	3.1
55.05497	3.3
57.03419	1.5
57.07068	1.0
61.02909	1.6
67.05490	3.0
68.22404	0.6
68.24870	0.7
69.03423	10.3
69.07056	6.4
70.73125	1.0
71.04975	2.6
73.02885	1.8
79.05479	4.2
81.03417	6.9
81.07045	10.7
83.08604	5.4
85.02895	24.7
85.06523	1.2
87.00821	9.5
91.03966	1.3
91.05466	3.0
93.07037	9.7
95.04945	1.5
95.08591	20.2
97.02881	10.4
97.10153	2.7
99.04438	4.6
99.08082	6.3
99.37234	0.6
105.01851	17.5
105.07004	4.1
106.06590	0.8
107.08580	25.9
109.02872	7.9
109.10155	6.0
110.06036	5.4
110.07127	0.9
111.08088	3.3
113.09620	1.0
115.03932	1.3
117.01850	1.1
119.08577	2.9
121.06507	1.0
121.10131	41.2
123.11705	2.8
125.09619	1.7
127.03898	16.0
129.01833	0.8
131.00014	0.8
131.04868	0.9
131.08591	0.9
133.10092	2.4
135.11674	10.4
137.05966	2.1
137.13239	4.8
143.08534	0.8
145.04929	9.1
145.10294	0.7
149.09601	1.0
149.13254	2.5
151.14751	0.6
153.57780	0.7
157.10060	0.7
159.02911	3.4
159.11668	0.7
167.10652	0.8
175.14821	2.0
177.16362	100.0
178.16698	2.6
187.06129	0.6
187.14749	1.5
187.32957	0.7
189.03896	0.7
195.17435	19.8
213.03935	1.1
213.16501	1.5
213.18462	19.8
213.99512	0.7
218.39412	0.7
231.04948	7.3
231.17516	0.9
249.05998	3.6
272.10898	0.8
285.18451	1.7
303.19327	1.0
389.19492	1.7
407.20691	2.7
425.21680	1.0
640.21069	2.2
641.20081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01852	3.1
55.05497	3.3
57.03419	1.5
57.07068	1.0
61.02909	1.6
67.05490	3.0
68.22404	0.6
68.24870	0.7
69.03423	10.3
69.07056	6.4
70.73125	1.0
71.04975	2.6
73.02885	1.8
79.05479	4.2
81.03417	6.9
81.07045	10.7
83.08604	5.4
85.02895	24.7
85.06523	1.2
87.00821	9.5
91.03966	1.3
91.05466	3.0
93.07037	9.7
95.04945	1.5
95.08591	20.2
97.02881	10.4
97.10153	2.7
99.04438	4.6
99.08082	6.3
99.37234	0.6
105.01851	17.5
105.07004	4.1
106.06590	0.8
107.08580	25.9
109.02872	7.9
109.10155	6.0
110.06036	5.4
110.07127	0.9
111.08088	3.3
113.09620	1.0
115.03932	1.3
117.01850	1.1
119.08577	2.9
121.06507	1.0
121.10131	41.2
123.11705	2.8
125.09619	1.7
127.03898	16.0
129.01833	0.8
131.00014	0.8
131.04868	0.9
131.08591	0.9
133.10092	2.4
135.11674	10.4
137.05966	2.1
137.13239	4.8
143.08534	0.8
145.04929	9.1
145.10294	0.7
149.09601	1.0
149.13254	2.5
151.14751	0.6
153.57780	0.7
157.10060	0.7
159.02911	3.4
159.11668	0.7
167.10652	0.8
175.14821	2.0
177.16362	100.0
178.16698	2.6
187.06129	0.6
187.14749	1.5
187.32957	0.7
189.03896	0.7
195.17435	19.8
213.03935	1.1
213.16501	1.5
213.18462	19.8
213.99512	0.7
218.39412	0.7
231.04948	7.3
231.17516	0.9
249.05998	3.6
272.10898	0.8
285.18451	1.7
303.19327	1.0
389.19492	1.7
407.20691	2.7
425.21680	1.0
640.21069	2.2
641.20081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.1
55.01861	11.4
55.05503	24.4
57.03424	3.7
57.07063	4.9
59.04981	3.1
62.35724	1.6
65.03925	6.4
65.88546	1.8
67.05492	80.7
69.03413	27.2
69.07051	14.5
71.04967	4.6
71.08614	3.0
72.68034	1.8
73.02922	2.0
77.03894	2.8
79.05475	97.2
81.03399	21.5
81.07040	78.1
83.04963	8.6
83.08598	11.9
85.02868	4.9
85.06532	5.6
87.04432	5.9
91.05460	57.3
93.07027	100.0
95.04955	21.2
95.08588	50.0
97.02868	41.2
97.06496	9.3
97.10166	4.7
98.22608	3.5
99.04437	5.1
99.08062	4.6
105.04510	2.5
105.07015	43.1
107.04902	5.8
107.08572	39.6
109.02844	6.6
109.06506	7.4
109.10127	31.4
111.04418	4.9
111.08067	6.6
113.09614	1.9
115.03908	99.3
117.06997	22.9
119.08562	33.1
121.06486	4.5
121.10121	54.9
123.08040	5.6
123.11674	14.0
125.05911	2.1
125.09607	3.3
127.03862	10.0
129.07008	13.5
131.04950	2.3
131.08540	39.6
133.06458	3.6
133.10094	38.2
135.08043	5.5
135.11662	33.5
137.09579	6.5
139.11200	2.2
141.06989	5.0
142.07843	2.9
143.08527	15.0
144.09283	2.7
145.06483	2.6
145.10104	38.3
147.07982	5.8
147.11662	29.2
149.09586	9.1
149.13245	21.9
151.11154	4.4
153.06931	3.0
155.08543	6.6
157.10130	12.5
159.08051	2.9
159.11659	24.0
161.09604	4.1
161.13177	7.5
163.11143	8.7
167.08527	2.9
169.10091	8.3
171.11681	20.9
171.68605	1.9
173.09557	3.6
173.13203	19.7
175.11172	6.2
177.08986	2.3
177.12779	4.4
181.10086	5.8
183.11671	8.4
185.09523	5.1
185.13246	7.3
187.11169	6.1
187.14738	6.0
189.12700	6.3
189.16365	3.0
193.10138	2.2
195.11627	5.5
197.13208	4.3
199.11217	3.2
199.14801	2.2
201.12694	5.4
205.12111	2.8
205.19528	6.1
209.13261	3.2
211.11223	3.3
211.14761	3.0
213.12729	4.1
213.16350	13.4
215.14354	2.0
215.17908	46.8
219.13722	2.4
223.14745	2.4
225.12714	3.9
227.14311	3.9
227.17894	4.2
229.19397	1.8
231.13792	3.1
231.17349	15.3
233.18932	43.0
234.19231	2.1
239.14207	3.7
239.17908	2.3
243.13853	2.7
243.17361	3.0
245.18922	5.1
249.18372	2.8
257.15295	2.5
257.19016	4.4
269.18936	2.6
273.18405	4.5
275.20111	4.9
285.18387	2.5
287.19955	3.8
295.20468	3.8
299.19946	4.1
301.21393	2.1
305.18863	2.2
311.19913	10.7
313.21725	4.5
317.21075	2.5
323.19986	13.4
329.21103	17.6
341.21011	16.6
345.20447	2.2
347.22131	32.7
359.22128	6.1
363.21518	2.5
377.23032	3.6
389.23492	2.1
437.22635	2.5
455.24207	15.5
473.25287	18.2
491.26190	7.6
640.27478	5.2
640.40656	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	641.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20163	0.3
55.35317	0.3
55.57288	0.3
58.06594	0.6
58.45261	0.3
63.68609	0.3
70.06580	1.1
74.97076	0.3
85.02901	0.3
86.09721	0.3
158.42432	0.3
198.23291	0.3
213.06352	1.4
226.07117	0.5
255.07361	0.4
263.08780	0.5
265.08664	0.4
287.08923	0.4
329.11102	0.9
335.02335	0.2
342.17084	1.4
347.12125	5.0
375.11597	1.1
377.10376	1.4
389.13522	0.5
393.72797	0.3
435.14899	0.8
465.90115	0.3
491.16455	1.3
509.17343	6.4
551.18304	1.3
623.20374	3.3
641.21545	100.0
642.21790	6.1
642.38354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97741	0.8
69.97687	1.2
69.98014	2.1
71.05083	0.9
73.97633	0.9
75.14874	0.8
98.23391	1.3
102.66553	0.8
104.85336	0.8
168.87277	1.0
262.85150	0.9
347.06442	1.0
407.10822	1.0
408.12128	1.9
411.14951	0.9
420.12320	1.4
421.12927	5.0
422.13626	8.6
423.14215	6.2
424.15762	1.8
425.16281	1.5
435.14554	4.3
436.15427	8.8
437.16235	13.3
438.16605	3.5
439.17276	1.3
440.14523	1.4
441.15515	1.4
449.16348	3.3
450.17084	3.4
451.18848	4.5
452.18555	2.1
455.17267	1.8
463.14203	2.4
464.14423	4.3
465.15704	5.2
466.15775	2.4
469.15125	1.2
477.15994	1.6
478.16418	3.3
479.17563	4.1
480.17926	7.1
481.18701	1.2
493.18973	9.1
494.18936	3.2
495.16385	6.2
498.15131	1.6
506.15518	1.9
507.16510	3.2
508.17380	10.1
509.18127	5.6
512.16949	4.3
521.18115	16.1
522.18744	5.0
526.14856	2.1
539.19318	1.4
549.18103	1.3
553.20770	3.5
573.63965	1.0
581.20203	71.4
582.20343	6.2
599.21246	16.8
600.21783	2.8
609.19659	1.6
622.22870	3.6
641.22321	100.0
642.22528	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	641.224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37810	3.7
77.56535	0.6
79.05495	0.7
82.01505	0.8
82.02005	0.7
88.57501	0.7
95.11961	0.7
127.96761	0.6
141.45462	0.7
171.90843	0.7
191.08444	0.7
193.23047	0.7
330.93219	0.7
396.13379	0.7
407.11218	1.6
408.12024	1.5
410.14755	1.4
414.14398	1.3
421.12756	4.3
422.13684	9.2
423.14569	6.9
424.15329	1.3
428.16086	2.0
429.16745	1.3
435.14456	5.9
436.15320	9.0
437.16284	11.4
438.16672	2.8
440.14594	0.9
441.15555	2.2
448.14825	0.9
449.15918	2.3
450.17358	5.0
451.18488	5.6
452.19229	3.3
453.15518	1.1
455.17111	1.0
463.14008	1.5
464.14346	4.8
465.15417	4.5
465.19818	2.6
466.15778	3.4
467.17145	2.8
469.14917	2.4
478.16626	4.5
479.17413	5.2
480.18134	9.8
481.18439	1.3
484.17691	1.7
492.18329	1.5
493.19266	10.3
494.15915	2.4
495.16153	8.1
496.17291	2.2
498.15109	1.9
506.15915	1.3
507.16513	4.3
508.17413	10.0
509.18176	7.0
510.18759	1.6
512.16821	4.9
521.18213	18.7
522.18213	7.2
523.16315	0.8
524.17126	0.9
525.21460	1.1
526.14166	1.9
538.18378	1.5
539.19073	2.5
549.17926	1.9
553.20844	4.5
559.28619	0.8
563.22888	1.2
581.20233	80.2
582.20636	6.7
599.21259	19.7
600.21918	1.5
609.19562	3.2
622.22998	4.3
623.24969	0.8
641.22156	100.0
642.22626	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	641.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41937	0.4
58.49159	0.4
84.11740	0.4
88.07734	0.5
119.08606	0.5
158.45528	0.5
185.67239	0.4
236.54854	0.5
276.53424	0.5
396.12982	1.0
407.11530	0.9
408.12363	1.3
409.12991	1.2
410.14151	0.8
411.14938	0.8
414.14270	1.2
420.12027	0.6
421.12766	3.7
422.13638	8.9
423.14615	4.8
424.15585	1.6
425.16266	1.1
428.16107	1.9
429.16791	1.0
434.13452	1.0
435.14551	5.2
436.15369	8.6
437.16241	11.4
438.17355	2.8
439.17407	1.5
440.14969	1.0
441.15427	2.4
446.13995	0.5
449.16425	2.1
450.17661	4.0
451.18384	6.3
452.19324	2.6
453.16162	1.1
455.17007	1.6
456.15393	0.4
457.16000	0.8
463.13336	2.6
464.13895	4.3
465.15588	6.0
465.20572	1.5
466.15240	2.5
467.17221	1.4
469.14450	2.0
471.17737	0.7
477.15475	1.9
477.22369	0.6
478.16211	5.3
479.17413	5.2
480.17938	7.8
481.18655	1.3
482.15463	0.7
483.16721	0.7
484.17603	1.0
492.17377	1.6
493.19229	9.9
494.15939	2.6
494.19125	1.8
495.16284	6.4
496.17184	2.0
498.15387	1.9
503.17322	0.6
506.15775	1.8
507.16623	3.3
508.17462	8.8
509.18130	8.1
510.18985	1.0
512.16925	3.6
520.17517	0.7
521.18127	15.9
522.16583	4.4
522.18018	4.6
523.19556	0.7
524.16956	0.9
526.14893	1.7
537.17505	0.9
538.18530	0.9
539.19464	1.5
549.17731	1.8
550.19061	0.5
553.20795	3.9
554.24854	0.7
581.20215	71.1
582.20673	6.6
599.21283	16.8
600.21295	1.1
609.19592	1.9
622.23022	3.8
623.24121	0.7
641.22290	100.0
642.22546	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	641.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66703	1.8
97.85836	0.9
99.73888	0.9
115.64600	0.9
122.46887	0.9
193.95735	0.9
227.11653	1.0
229.09744	1.5
253.09753	1.2
257.09338	1.4
260.62183	1.1
301.15451	2.2
316.10867	1.1
325.15402	1.1
342.12262	1.1
356.14044	1.3
408.11996	1.5
410.14349	2.1
414.14365	2.0
421.12796	3.8
422.13760	7.9
423.14368	7.3
424.15121	2.2
425.15503	1.1
428.15967	1.4
435.14374	5.4
436.15363	8.7
437.16232	13.2
438.16473	3.0
440.14407	1.3
444.19339	1.0
449.16199	1.7
450.17114	5.3
451.18317	7.2
452.18750	1.3
461.15594	1.3
463.13782	1.5
464.14651	3.7
465.15137	5.9
465.19788	2.8
466.15826	2.4
467.16995	1.8
469.14322	1.6
477.15646	2.0
478.16266	6.1
479.17148	6.2
480.18042	8.0
481.18573	1.6
484.17181	1.3
492.18146	1.4
493.18939	11.1
494.14871	2.2
494.19864	1.7
495.16327	9.5
496.16983	1.9
498.15396	2.2
504.21249	4.5
506.15622	1.9
507.16498	4.0
508.17432	11.8
509.18011	9.1
510.19214	1.5
512.16742	5.5
521.18097	17.8
522.18085	6.2
523.15668	0.9
524.15912	1.1
526.14581	3.5
535.23181	1.1
538.18365	2.1
539.19037	2.1
549.18152	1.1
553.20825	4.3
563.22662	2.1
581.20032	73.7
582.20160	6.5
599.21301	18.0
600.21411	2.6
609.22144	4.1
613.26361	4.8
614.48810	1.1
622.22510	3.1
623.24475	2.1
641.22253	100.0
642.22357	10.2
666.98584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27394	0.5
59.69846	0.6
67.05494	1.2
69.07062	1.0
69.50551	2.0
74.92680	0.5
79.05494	1.7
81.07055	1.6
84.65103	0.5
86.37193	0.5
89.18731	0.5
91.05489	1.4
93.07049	1.2
95.08611	1.3
97.06546	0.6
99.08105	0.6
105.39297	0.6
107.08604	0.8
109.10162	1.1
117.07008	0.5
119.08522	0.7
121.10150	0.6
122.63858	0.5
131.08516	0.9
133.10117	0.8
169.10146	0.6
286.99109	0.8
299.89523	0.6
369.69672	0.6
377.17538	0.7
391.19269	1.1
392.20459	0.7
393.20837	1.4
405.17267	2.2
406.17700	0.9
407.22537	5.1
419.18155	2.7
420.19400	2.1
421.20062	2.5
433.20618	4.6
434.21011	4.4
435.21866	6.7
436.22836	1.0
440.60117	0.6
447.17514	0.6
447.22226	1.0
448.18201	1.1
449.19406	6.8
461.23776	0.8
462.20712	2.2
463.08871	0.6
463.20776	3.3
464.21634	1.1
475.21405	0.8
476.21915	0.9
477.22934	1.2
479.20599	0.7
493.21860	1.0
494.23117	1.9
495.23563	2.7
507.24353	5.1
508.24612	0.9
509.25739	1.5
521.25854	4.3
522.25250	0.6
535.23193	6.8
549.25177	1.9
567.25946	1.6
581.27594	21.5
582.27979	1.8
595.25287	6.3
609.26965	1.8
623.26868	0.8
623.43304	0.8
641.29620	100.0
642.29944	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	641.2961
Annotation	Crooksiine
Peak:m/z	Relative Intensity
60.04021	0.3
60.51096	0.4
75.16908	0.3
79.05494	0.4
80.07385	0.3
82.23507	0.3
88.30534	0.3
90.92321	0.3
93.07026	0.4
127.07328	0.3
130.06474	0.3
140.91125	0.2
145.50072	0.3
149.02313	0.3
157.75771	0.3
171.70302	0.3
174.63930	0.3
193.04831	0.4
237.13724	0.3
248.65585	0.3
275.19922	0.3
314.12766	0.4
314.16168	0.3
325.63000	0.3
376.58102	0.3
377.17813	0.5
378.18646	0.3
379.19135	0.7
391.14923	0.4
391.19159	0.9
392.20206	0.7
393.20892	2.2
403.19452	0.3
405.16373	1.6
405.21375	0.9
406.17984	1.2
407.18552	0.8
407.22781	3.6
408.22946	0.5
418.17694	0.6
419.18179	3.1
419.23276	0.6
420.19037	1.9
421.20084	4.9
422.20691	0.4
423.21863	1.3
433.20117	4.5
434.21198	3.9
435.16757	0.4
435.21820	6.4
436.22836	1.5
437.23767	0.4
447.21890	1.2
448.18332	0.5
448.23419	0.3
449.19516	7.9
461.18939	0.5
461.24033	0.4
462.20450	0.6
463.21100	3.4
464.22064	1.6
465.19186	0.5
467.23755	0.4
475.21179	0.5
477.23148	0.7
479.19995	1.7
480.21448	0.4
481.22238	2.2
491.24570	0.4
493.21729	2.4
494.22934	2.7
495.23984	3.2
507.24182	1.7
508.24509	0.5
509.25888	0.4
521.25714	9.1
522.25458	0.8
523.26819	0.6
535.23450	0.5
539.23065	1.0
549.24707	0.9
551.26276	0.5
552.24225	0.4
553.26166	0.5
563.26025	1.0
567.25952	0.5
581.27600	18.8
582.27930	1.5
613.30212	0.4
641.29596	100.0
642.29590	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	641.296
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70088	1.3
81.07034	0.6
81.74417	0.7
98.22777	1.5
102.09193	0.7
107.36548	0.7
117.31674	0.7
124.93789	1.6
133.86957	0.6
149.02318	1.1
193.04979	1.3
193.08861	0.7
248.29013	0.7
265.13300	0.8
284.29611	0.8
286.98990	2.0
315.13474	1.1
385.09552	1.7
390.18585	1.0
391.19455	0.8
392.19873	0.7
405.16525	0.9
405.21240	1.1
406.21368	1.2
418.17474	1.6
419.18564	2.4
433.20340	4.6
434.20837	2.1
447.17130	1.1
447.22183	2.1
449.23730	1.2
451.21204	0.8
461.19504	9.1
462.20264	3.8
465.18863	1.3
467.24597	2.5
475.21539	0.9
476.21991	2.5
477.22836	3.4
479.20569	1.2
480.21573	2.0
489.22791	0.8
493.22412	1.8
494.22955	2.7
495.23953	1.9
505.21991	0.9
507.24805	0.9
521.22070	1.4
522.25677	2.0
535.27496	0.9
548.24200	2.6
549.24945	1.8
553.28534	1.6
554.28931	0.8
563.26569	5.5
576.23096	1.0
579.23041	0.7
581.19489	1.3
581.27612	11.8
582.27441	1.0
608.26355	1.2
609.26935	1.8
623.27136	1.1
641.29578	100.0
642.28680	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2964
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
57.03421	2.4
57.86067	1.6
67.05499	4.3
68.34702	1.8
69.07068	3.6
79.05486	6.5
81.07049	4.0
91.05504	2.2
93.07029	4.1
95.08589	3.1
105.07053	2.9
117.07019	3.1
119.08552	2.8
131.08545	2.2
145.10133	2.7
168.54782	2.1
219.17488	2.4
239.15404	2.0
347.77267	2.0
384.17130	2.5
389.17261	3.3
407.22186	4.7
415.19223	2.6
416.19693	2.6
417.20782	3.0
418.21338	2.6
421.23953	3.8
422.14462	2.9
422.24173	5.8
429.21072	3.1
430.17035	2.3
431.22513	3.9
433.23666	7.2
434.23969	4.9
445.23840	5.9
459.21048	3.8
462.20129	3.5
463.21030	2.4
473.22961	3.7
474.16556	3.3
475.21304	5.0
477.22760	13.9
487.24817	7.4
491.24097	3.8
505.25598	2.9
535.23083	2.5
545.25299	9.4
547.26819	12.5
549.24847	8.7
550.25769	13.8
563.25677	6.4
579.29620	8.2
581.19971	5.3
591.26190	12.4
605.27380	17.6
609.27234	10.5
623.28485	100.0
624.28271	6.2
641.28888	10.4
641.40704	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	641.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05505	3.4
65.03950	0.9
67.05498	3.9
67.77045	0.8
69.94389	1.1
69.94722	1.8
70.24767	0.7
72.32098	0.7
73.84530	0.8
79.05496	3.3
81.07053	5.4
83.01329	1.7
83.04520	1.8
83.04982	19.1
90.91334	0.7
91.05465	3.9
93.07055	7.1
95.04967	2.3
95.08603	7.9
103.05462	1.0
104.10766	2.7
105.07047	2.4
107.04948	4.7
107.08608	3.1
109.06498	1.1
109.10127	4.9
117.06959	0.8
121.06498	2.3
121.10110	1.1
123.08066	24.6
123.11682	0.9
129.06970	1.0
131.04900	4.5
135.04420	8.1
135.08052	3.3
135.11705	3.5
145.10106	0.8
147.04395	5.1
149.05988	1.7
159.04440	1.4
161.05959	1.4
162.03134	2.3
163.03891	13.2
165.05481	2.5
170.99312	0.8
171.08005	1.2
172.27609	0.8
175.03923	2.7
175.07579	2.1
177.05475	2.9
179.03395	3.2
179.07133	0.9
189.05521	1.4
190.02606	3.8
191.03380	100.0
192.04025	2.0
193.04970	3.5
201.05347	0.9
201.09093	1.0
203.03409	2.1
203.06973	1.2
205.04962	41.4
206.05360	1.5
207.06540	18.7
207.10031	5.0
213.05421	1.2
213.09087	1.0
215.03474	1.0
219.06505	6.8
221.04395	1.1
229.04958	10.7
231.06519	10.8
231.10075	1.1
233.04486	2.9
233.08115	1.7
243.06563	0.9
245.08003	3.7
247.09679	1.0
257.08041	3.7
269.08105	3.6
271.09683	6.9
273.11307	1.2
283.09711	2.2
285.11197	11.6
295.09653	3.5
299.12653	0.9
311.09152	3.0
313.10739	23.5
313.14334	2.8
315.16074	1.5
325.14276	1.2
327.12479	1.3
327.15903	4.8
329.17502	1.4
329.21207	1.3
367.15338	1.2
383.07547	2.4
454.46835	1.0
477.19278	1.0
501.19565	1.2
519.19995	11.4
532.95941	0.8
559.22931	1.0
641.30609	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	641.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22591	1.4
76.08282	0.3
82.23169	0.3
86.40173	0.3
104.10761	0.4
191.03337	0.4
205.04927	1.4
223.00844	0.3
229.11691	3.0
265.12369	0.4
321.23962	0.6
343.22147	100.0
344.22595	3.6
361.22064	1.5
384.24493	0.4
434.89838	0.4
461.20215	0.5
527.34711	0.4
641.36194	1.7
641.45935	8.1
642.36615	0.4
642.46356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.3
61.02916	2.4
65.03925	2.9
69.03420	4.3
69.12253	1.1
70.06583	1.7
71.05017	1.1
74.43383	1.3
77.60404	1.1
79.05482	3.9
81.03413	1.8
84.08134	1.8
85.02901	14.9
86.09698	2.1
91.05472	49.4
94.04179	2.4
95.04980	4.0
97.02879	8.6
99.04514	1.2
103.05453	8.0
103.45126	1.1
105.03352	1.7
105.07029	16.8
107.04926	1.7
115.05464	4.7
119.04932	79.8
119.08556	1.2
121.02859	3.4
121.06519	1.6
122.03619	3.4
127.03899	2.8
129.07007	1.7
130.04164	1.5
131.04907	16.6
133.02849	23.1
133.06476	19.4
136.05190	1.7
137.05963	64.7
138.06265	1.6
141.08047	1.2
143.06099	2.0
145.04980	4.3
146.07249	4.0
147.04391	28.1
147.08084	2.5
149.05943	3.7
151.07520	45.8
151.08731	2.2
159.08055	3.8
161.05962	48.7
162.06685	3.1
163.03923	2.1
163.07527	15.6
165.05472	9.5
172.05206	3.9
173.62022	1.2
175.07532	15.0
177.05481	5.1
177.07848	1.5
178.00826	2.2
178.83081	1.2
179.07005	100.0
180.07460	1.2
187.07530	15.9
189.09039	3.0
191.08501	3.9
193.03163	28.5
199.07480	1.8
217.08629	7.2
219.08041	4.4
231.08031	1.6
247.07556	1.6
251.10570	7.6
270.08234	1.2
279.10123	6.9
282.07947	8.0
291.10104	4.0
300.08926	3.5
309.11234	1.6
311.12674	26.8
323.12723	7.1
327.12375	1.3
341.13956	5.0
642.20892	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	642.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01857	1.2
55.05500	5.0
57.03438	2.2
61.02913	3.0
62.14535	1.2
65.03939	1.1
67.05489	16.2
69.07056	4.0
69.22992	6.5
71.04974	1.6
79.05479	14.1
81.03352	1.1
81.07043	14.1
83.08607	3.7
85.02872	1.6
91.05466	14.8
93.07031	12.1
95.04948	2.6
95.08577	10.7
98.22653	2.2
100.91741	1.1
105.07007	16.3
107.04902	1.4
107.08592	6.7
109.06501	1.6
109.10135	3.9
110.96178	1.1
117.07000	8.1
119.08549	11.9
121.06440	1.3
121.10130	4.8
128.06172	1.5
129.06995	6.6
131.08549	13.7
133.10112	6.9
135.08020	1.4
135.11658	2.2
141.06949	2.6
143.08534	6.2
145.10081	10.2
147.08044	2.0
147.11673	3.2
155.08565	3.1
157.10086	4.1
159.11688	5.0
161.09579	1.7
161.13200	1.3
169.10083	2.7
171.11630	2.7
173.13248	1.2
183.11682	2.2
185.13208	2.0
187.14706	1.3
195.11732	1.3
197.13287	2.3
199.14777	2.0
209.13290	1.3
211.14792	1.9
241.15933	1.2
268.83411	1.3
335.23718	1.4
353.24960	5.6
353.28586	1.4
371.25766	5.6
389.26938	7.7
445.29416	100.0
446.29709	5.9
463.24359	2.2
463.30511	32.7
611.06409	1.3
642.27393	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.05502	6.6
56.58097	1.2
57.03422	2.3
61.02921	2.8
65.85258	1.2
67.05493	17.0
69.03418	1.3
69.07053	4.3
69.58119	5.3
79.05490	12.0
81.07043	15.5
83.08622	2.8
85.02892	2.5
91.05458	19.2
93.07031	14.0
94.68898	1.3
95.04976	3.2
95.08598	11.7
97.02876	1.5
97.06541	1.8
105.07021	18.2
105.07648	2.0
107.08595	7.5
109.06504	1.7
109.10159	3.9
117.07001	9.2
119.08541	9.7
121.06480	1.9
121.10130	3.6
123.23453	1.2
129.06989	5.3
131.08525	12.2
133.10101	6.3
135.08093	1.7
135.11635	3.1
141.07030	2.0
143.08565	7.7
145.10098	10.5
147.07976	1.8
147.11655	2.1
155.08568	2.3
157.10094	4.3
159.11688	2.8
161.09540	1.3
167.08499	1.9
169.10179	3.9
170.41058	1.3
171.11642	4.2
174.39967	1.2
181.10057	2.5
183.11659	2.1
185.13287	3.1
187.14851	1.4
195.11830	1.4
197.13217	2.0
211.14865	2.7
217.15651	1.4
235.14838	1.4
241.19649	1.6
353.24625	3.4
371.25580	4.3
386.36484	1.5
389.26767	5.5
445.29401	100.0
446.29803	6.8
463.30460	19.5
557.29639	1.2
624.75861	1.5
642.29675	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	643.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98896	1.1
55.96670	1.3
62.98256	1.1
64.47939	1.3
66.30584	1.2
67.75832	1.1
71.43816	1.3
112.00118	1.1
118.51979	1.1
128.95818	1.2
205.05090	3.3
215.45059	1.4
230.29369	1.3
238.11549	1.2
272.38037	1.3
298.61270	1.1
382.11600	1.8
383.12320	26.6
432.18149	1.4
575.16962	7.3
643.22980	100.0
644.23090	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	643.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91240	1.6
69.52099	7.0
91.05495	2.0
94.55187	1.5
140.76656	1.5
159.49583	1.4
172.31750	1.5
178.93443	1.6
191.03230	2.1
205.04980	13.2
206.05309	3.6
247.06073	1.6
372.91669	1.8
383.12494	69.7
459.87872	1.9
525.00336	2.0
643.22961	100.0
644.23169	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	643.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11298	3.3
69.33471	18.3
81.07028	2.9
83.04968	5.4
91.05506	3.9
103.15939	3.4
107.51109	3.7
109.10143	3.4
119.42545	3.6
120.75948	3.2
191.03374	10.9
192.03801	3.8
193.04970	5.1
197.25096	3.5
205.04916	25.3
205.09030	3.8
206.05302	13.3
219.06493	4.1
224.73538	3.4
314.14825	4.3
315.82202	3.5
383.12253	25.1
389.57550	3.3
575.16205	5.5
643.12750	6.4
643.22986	100.0
644.24048	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	643.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
69.07055	0.7
70.06596	0.6
70.80598	0.5
81.07065	1.2
93.07040	0.6
95.08607	1.0
97.02881	0.5
105.06995	0.9
106.42899	0.4
107.08604	0.7
109.10182	0.7
110.07165	1.5
114.75966	0.5
119.08562	0.4
121.10126	0.5
122.71427	0.5
137.05962	1.4
137.09622	0.5
142.00235	0.4
145.10037	0.5
147.04472	0.4
151.07440	0.5
156.07695	1.2
165.09076	0.8
167.07083	1.3
181.04935	0.6
281.33115	0.4
301.07114	0.6
446.01654	0.6
451.17090	1.2
462.33270	0.7
463.17157	0.8
463.33725	0.8
481.18240	7.3
622.52295	0.4
642.33514	0.8
643.23505	100.0
644.23724	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	643.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01865	2.3
55.05511	1.0
65.03931	6.4
66.04744	0.9
66.64972	0.7
67.05495	2.5
68.64708	0.7
71.01336	1.6
77.03931	0.9
78.04709	1.3
79.05486	6.1
81.03403	4.2
81.07049	1.2
82.04195	2.3
85.02900	5.2
91.05467	5.8
93.03402	2.0
94.04211	0.9
95.04955	5.3
97.06559	2.7
100.11275	0.8
103.05459	17.8
103.06100	1.2
104.78363	0.8
105.03403	3.8
105.04494	2.1
105.07031	6.3
106.04181	1.4
107.04944	9.0
108.02105	0.9
109.06512	3.6
110.03649	2.4
111.04455	2.6
115.05452	5.6
117.07005	5.4
118.04165	5.3
119.04951	2.5
119.42274	1.0
121.06492	1.7
122.03661	1.2
123.04422	7.4
124.05202	2.4
125.05963	5.2
128.06206	1.0
129.07045	0.8
130.04172	2.2
131.04907	17.4
131.08539	1.5
132.05721	1.1
133.02852	3.6
133.06482	7.6
135.04378	1.0
135.08046	1.7
137.05968	7.2
138.03137	2.1
139.03897	0.9
140.04671	1.2
144.05701	1.4
145.06474	7.8
146.07248	0.9
147.04407	1.9
147.08035	2.4
148.05196	8.9
149.05952	3.9
151.03912	2.6
151.07562	2.2
152.04630	1.9
153.05457	9.3
155.05960	2.3
155.07076	2.5
157.06488	1.0
159.08058	2.0
161.05960	9.5
163.07529	21.3
165.05473	4.9
166.06148	1.1
167.07021	59.1
168.07458	1.3
171.04381	1.0
171.06505	7.7
173.05942	7.9
174.06723	1.1
175.07550	3.4
176.04707	3.0
177.05521	2.6
177.09126	1.4
179.07016	1.4
180.07863	2.0
181.04933	100.0
182.05359	2.6
182.15443	0.9
183.06537	1.2
187.07567	3.0
189.05540	1.2
190.06255	1.9
191.07007	94.7
192.07585	1.9
193.04944	4.4
193.08623	3.2
195.06528	3.6
197.08086	1.5
201.05377	1.9
203.07031	2.8
205.08495	5.6
207.06467	5.3
207.08281	1.3
207.10037	1.6
208.07306	4.0
209.08072	3.5
217.08585	2.6
219.10112	8.0
221.08073	1.3
225.07507	15.0
226.08318	2.9
233.08032	8.4
235.07489	2.4
235.09688	6.3
236.08322	1.5
245.08139	1.0
247.09842	1.2
252.07852	1.0
263.06668	1.7
263.09146	18.3
267.10208	2.7
295.09497	1.0
297.11267	2.2
307.09543	1.2
317.10483	0.9
325.10623	3.7
327.12152	0.9
329.10153	0.9
329.13715	1.1
331.11807	0.9
337.10599	1.4
339.12332	2.1
348.40942	0.9
355.11771	1.0
357.13223	6.7
367.11685	2.7
371.15042	1.8
381.13028	1.5
385.12781	10.7
386.12949	1.0
387.14426	2.4
399.14490	2.4
417.15414	8.6
418.15771	1.0
437.63101	1.0
544.17145	0.8
642.45691	11.5
643.30566	1.1
643.45856	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	643.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04760	0.9
55.01859	1.7
65.03923	6.2
66.04698	1.1
67.05502	1.5
69.03400	1.6
69.29346	0.9
71.01342	1.0
76.58732	0.9
78.04715	1.6
79.05480	4.5
81.03417	4.3
82.04195	1.7
85.02907	5.3
90.11910	1.0
91.05474	5.8
95.04961	5.6
97.06561	2.0
98.22668	2.0
103.05456	17.1
105.03368	2.3
105.04531	1.1
105.07027	7.3
106.04157	1.8
107.04931	6.9
109.06522	2.4
110.03634	2.2
111.04400	2.6
115.05422	5.6
116.06231	1.4
117.07015	4.1
118.04165	4.1
119.04933	2.0
121.02837	4.7
121.06494	2.6
122.03623	1.9
123.04385	5.2
124.05230	2.5
125.06002	3.2
129.06949	2.0
130.04201	1.4
131.04903	15.5
131.08548	1.9
132.05655	1.1
133.02837	2.9
133.06470	8.3
135.08061	1.5
137.05975	8.7
138.03061	1.6
139.03845	1.3
140.04721	1.4
142.02580	1.5
143.04886	1.3
144.05667	1.4
145.06523	5.0
146.03635	1.7
147.04388	2.7
147.08023	2.0
148.05193	9.8
149.05959	3.2
151.03903	2.5
151.07527	2.8
152.04610	1.8
153.05452	6.4
155.05962	1.4
155.07103	2.3
157.06470	1.7
159.04352	1.1
159.08051	1.4
161.05972	8.1
163.03807	1.2
163.07526	16.1
165.05499	6.2
166.06287	1.2
167.07024	57.5
171.06583	5.1
173.05989	5.8
174.06772	1.3
175.07513	2.9
176.04620	1.6
177.05434	3.0
177.09106	1.6
180.07814	2.5
181.04935	100.0
182.05365	1.2
185.05930	0.9
187.07523	4.9
190.06299	1.3
191.07011	81.6
192.07381	1.3
193.04997	4.6
193.08577	1.9
195.06517	2.7
197.08015	1.1
201.05511	1.2
203.06976	2.5
205.08600	4.6
207.06487	5.7
207.08221	1.1
207.10080	2.2
208.07294	4.1
209.08122	2.8
217.08611	3.1
219.08139	1.7
219.10069	7.9
225.07507	14.0
226.08255	2.9
233.08047	6.1
235.07486	1.9
235.09599	7.5
237.05392	1.0
247.09776	1.1
257.08054	1.1
263.06732	2.3
263.09164	19.2
267.10059	3.2
297.11035	1.8
307.09592	2.1
309.11407	1.3
325.10663	3.6
329.10294	1.2
337.10641	1.3
339.12476	1.8
355.11868	1.3
357.13202	4.4
367.11661	2.1
385.12827	9.6
387.14310	1.9
396.55872	1.1
399.14246	3.0
417.15430	8.6
569.45654	1.1
643.23138	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	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48399	0.3
70.07224	0.3
84.42979	0.4
102.90818	0.3
111.56181	0.3
143.88234	0.3
185.36540	0.4
270.89087	0.3
271.37274	0.3
381.70886	0.4
393.63113	0.3
396.12167	1.2
397.12936	1.6
398.13681	0.9
409.13055	0.4
410.13647	2.7
411.14395	5.4
412.15222	3.2
413.15973	2.2
423.15039	1.7
424.10861	1.0
424.16028	2.4
425.16187	12.4
426.16812	8.2
427.17465	2.0
428.18259	1.1
437.15891	1.2
438.13202	3.0
439.13568	13.0
440.13824	1.6
440.19339	4.3
441.19254	31.0
442.19449	3.2
451.18387	0.6
452.14069	3.6
453.15164	12.8
454.15659	4.5
455.21024	0.7
457.14893	0.4
463.13779	1.1
465.15277	0.7
466.12082	0.5
467.17117	23.7
468.17801	15.8
469.18723	12.9
470.19452	1.5
471.16782	0.5
479.16791	0.5
480.13718	0.4
481.14767	14.3
482.15155	4.1
485.18100	1.2
486.18817	0.5
495.15704	3.1
496.17068	13.1
497.17618	2.7
498.18741	0.7
499.19131	0.6
509.18250	2.3
512.20441	1.3
513.21442	0.7
514.21912	1.7
522.18158	0.5
523.19690	1.7
524.20135	0.5
527.23431	2.0
539.19702	0.4
540.20013	0.9
542.21796	0.9
545.24506	0.4
555.22345	22.1
556.22803	2.1
568.19263	0.7
583.21808	100.0
584.22009	10.3
586.20184	0.7
587.24921	1.1
611.21021	1.8
614.23572	0.8
615.24396	9.9
616.24615	1.3
643.23822	56.2
644.24158	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	643.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68093	1.4
71.43001	0.4
76.01758	0.4
94.50928	0.4
98.22682	0.3
131.73758	0.3
240.15631	0.4
401.93872	0.4
537.31708	0.4
643.25183	100.0
644.25439	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	643.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27985	1.2
65.75190	1.2
65.91965	1.3
67.05516	1.4
69.63713	4.7
71.53262	1.3
81.07061	2.5
81.58134	1.5
86.89239	1.5
91.05485	2.9
95.08566	2.4
109.10131	1.5
113.00504	1.5
113.27178	1.3
121.06537	2.2
123.11711	1.8
124.26146	1.4
143.04953	5.8
162.03148	4.1
165.46118	1.3
171.04468	3.8
177.05440	1.8
185.02875	1.3
188.04716	2.4
189.05429	1.3
190.02594	7.7
191.03384	11.4
191.06996	1.4
193.05130	1.8
199.03911	18.5
203.07076	1.9
205.04953	49.3
205.06784	2.7
215.03268	2.1
219.06549	5.8
221.41089	1.5
230.30098	1.5
231.02705	2.5
231.06491	8.2
233.08224	2.2
245.07921	1.7
246.04967	15.7
247.05592	1.6
259.06015	8.5
259.09750	1.9
277.07120	4.7
296.75232	1.4
315.12228	2.9
315.15945	4.2
327.12305	4.1
327.16010	2.7
351.15643	77.2
352.16110	3.7
368.77133	1.5
383.18512	1.9
441.19254	2.5
482.15982	1.7
496.17624	1.4
501.19180	2.5
519.20380	7.1
575.22443	7.7
583.22064	4.9
643.28796	100.0
644.29187	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	643.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05501	0.4
63.00627	0.2
63.32550	0.2
65.03915	0.4
67.05484	0.8
68.99776	0.6
69.03413	0.2
69.07054	1.8
71.62612	0.2
71.96243	0.2
77.03918	0.4
79.05476	1.3
81.07040	2.1
83.01321	1.1
89.03891	0.3
89.05997	0.3
91.05460	2.0
92.11455	0.2
93.07027	3.9
93.89900	0.2
95.04962	1.4
95.08585	1.9
96.62366	0.2
97.10167	0.2
103.05446	1.0
105.04509	0.3
105.07013	0.8
106.04157	0.4
106.68492	0.2
107.04913	1.3
107.08562	0.7
109.06492	1.0
109.10126	0.9
115.05463	0.4
117.06995	0.5
119.04955	0.3
119.08525	0.5
121.06490	4.6
123.08040	4.5
123.11684	1.2
124.93790	0.2
129.06961	0.4
131.04919	2.9
132.15877	0.2
133.02710	0.3
133.06467	0.4
134.03603	0.7
135.04385	0.7
135.08076	1.5
135.11589	0.3
137.13196	0.3
143.08513	0.2
145.06532	0.3
147.04393	1.0
147.08052	0.3
149.02309	0.5
149.05956	2.4
151.03886	1.2
153.05479	0.5
154.46063	0.2
158.00636	0.2
159.04416	1.9
161.02278	0.3
161.05977	0.4
162.03098	7.3
163.03909	2.3
163.07504	0.6
165.05441	0.4
165.06995	0.3
171.04405	0.3
172.65189	0.2
173.05923	0.4
175.03864	1.0
175.07472	0.7
177.05450	2.9
178.02672	0.3
185.05937	0.4
185.09569	0.3
189.05423	1.5
190.02574	15.7
191.03355	13.5
191.05165	0.5
191.06966	1.8
193.04947	3.5
193.08588	0.8
195.08066	0.5
199.03859	0.4
201.09056	0.4
203.03340	1.6
203.07005	0.6
204.04120	0.4
205.04930	100.0
206.05287	2.2
207.06488	0.4
213.05394	1.6
213.09103	0.4
217.04959	1.3
217.08574	0.7
219.03081	0.5
219.06485	11.9
221.09514	0.3
227.07069	0.4
228.04099	0.3
229.04811	0.5
230.05695	0.3
231.06461	1.1
233.08075	2.5
235.05980	0.7
237.03967	0.3
241.08493	1.0
243.06502	2.3
245.08046	5.8
246.07706	0.6
247.05904	1.1
247.09621	2.1
249.09175	0.4
255.10040	0.4
257.07980	0.3
257.11548	0.2
259.09564	2.0
261.11142	0.8
267.13132	0.3
269.15359	0.3
271.09662	1.0
273.11252	1.8
275.16394	0.5
279.13651	0.3
281.11603	0.4
283.09714	1.1
285.11105	2.4
286.98880	0.4
289.14230	0.4
289.17566	0.2
299.12775	3.7
299.16061	0.4
301.14307	0.4
309.11215	2.4
315.15863	6.1
325.10648	0.8
327.12234	16.7
327.15817	1.7
328.12582	0.5
329.17389	2.0
339.15851	0.4
341.17313	0.3
351.15604	0.9
353.17490	0.5
439.28198	0.6
454.16284	0.3
473.19461	0.4
477.19260	0.3
483.17609	0.8
491.20352	0.4
501.19049	2.1
507.19662	0.6
519.20105	7.5
520.20020	0.6
533.21521	0.5
575.26477	0.4
583.21741	0.6
587.26129	0.6
589.89044	0.3
625.31061	1.1
643.32849	7.2
644.33063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.93641	0.9
57.03421	1.6
59.72161	0.8
61.02918	2.7
61.35487	0.9
69.03416	7.9
69.08428	4.2
69.08835	1.7
70.06579	2.7
72.08140	2.1
73.02888	1.0
79.05497	5.6
80.45972	0.8
81.03410	5.6
84.04520	0.8
85.02894	19.0
86.09674	1.8
91.05470	13.8
93.07050	1.6
94.04155	1.6
95.04942	2.9
97.02888	4.9
100.45000	0.9
103.05444	11.0
103.27475	0.8
105.03386	1.2
105.07025	17.5
106.12809	0.9
107.04942	25.5
109.02854	2.7
109.06482	1.8
115.03885	3.1
115.05424	4.6
117.07023	1.5
119.04929	11.9
121.06486	8.1
122.02795	0.9
122.03632	3.6
127.03884	4.0
128.06203	2.2
129.06973	3.2
129.10190	1.1
130.04143	1.1
131.04921	11.3
131.08534	1.7
131.23013	0.8
133.02840	14.9
133.04965	1.6
133.06468	24.7
135.04398	1.2
135.08051	8.5
137.05959	75.5
138.06335	1.7
143.04832	1.2
144.05760	1.1
145.04953	1.7
145.06465	1.8
145.07549	1.0
146.03601	1.4
146.07263	1.6
147.04393	10.4
148.05161	2.1
149.00549	2.1
149.05960	22.7
150.06708	2.1
151.03952	1.5
151.07520	22.8
157.06438	2.9
160.05159	1.2
161.00536	1.3
161.05954	80.9
161.09589	15.2
162.06721	4.4
163.07516	49.1
165.05458	4.0
165.06877	1.1
165.09091	11.9
167.06990	2.6
167.08449	1.6
174.06725	1.8
175.07520	8.8
177.05435	3.0
177.09125	1.7
178.00830	2.1
179.07004	9.2
181.08589	15.8
187.07477	2.5
189.09079	45.7
190.09360	1.3
191.06963	6.0
193.03160	15.9
193.06465	2.2
195.07997	3.0
201.09073	1.6
203.06955	4.7
206.07388	1.2
207.10135	100.0
208.10498	3.0
215.06950	1.9
219.10175	3.9
221.06047	1.8
221.09718	1.0
223.07487	2.6
225.09064	2.3
227.10674	4.4
229.08540	1.4
233.07988	2.2
237.09084	1.7
240.07704	1.5
249.11249	1.8
253.08620	2.4
253.12160	3.3
255.10107	4.8
257.07941	1.2
267.10165	1.8
273.11179	1.2
275.09073	1.4
281.11557	1.5
282.08020	1.7
285.11124	6.4
287.12698	10.0
291.12210	2.6
293.10187	2.0
297.11172	3.4
299.12631	2.9
300.08990	1.8
311.12393	3.7
313.14307	14.0
323.10983	1.1
325.14435	1.6
331.15347	58.8
332.15683	3.4
343.15323	8.0
464.15170	0.9
510.61487	1.0
644.23022	1.1
645.15973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40108	1.5
55.01875	2.3
57.03419	1.9
68.72663	1.6
69.03425	7.0
69.21762	3.9
69.22173	4.7
70.06579	3.4
72.08138	4.8
79.05509	5.0
81.03416	3.2
85.02898	18.0
86.09730	2.4
87.05660	1.4
87.06245	1.5
91.05479	15.7
93.07017	1.9
95.04961	3.6
97.02880	6.1
98.22660	3.6
99.04457	2.3
103.05463	11.9
105.07030	19.3
107.04942	31.3
107.08618	2.4
109.02892	2.7
115.04007	1.7
115.05461	2.2
117.07030	2.3
119.04942	13.9
121.06503	8.9
122.03648	4.4
127.03903	5.8
129.06989	4.2
130.05019	1.7
131.04912	12.7
131.08569	2.3
133.02835	12.9
133.06465	26.2
135.08057	9.4
136.05386	1.8
137.05968	79.7
138.06305	2.0
144.05588	1.8
145.04910	1.7
146.07220	2.3
147.04381	11.1
147.07910	1.9
148.05121	2.6
149.05978	26.6
150.06725	4.9
151.07527	26.9
157.06482	3.6
159.04401	1.9
161.05962	79.1
161.09610	18.1
162.06662	4.9
163.07530	53.0
164.07953	2.3
165.05467	4.7
165.09103	13.6
167.07086	4.0
167.84120	1.7
174.06813	2.6
175.07562	9.9
177.05394	3.0
177.09088	2.7
178.00903	1.9
179.07005	12.7
181.08574	15.7
185.59898	1.6
189.09077	47.5
191.06984	6.5
193.03201	16.4
195.07956	2.9
201.05380	1.8
203.07040	5.1
207.10150	100.0
208.10544	5.1
209.05933	1.6
219.10156	5.3
221.06007	2.7
225.08984	2.7
227.10651	5.3
229.08551	1.7
253.08502	2.0
253.12149	2.6
255.10162	5.6
265.08591	2.3
272.10526	1.6
275.09137	1.9
285.11194	6.1
287.12692	10.5
291.12244	3.6
293.10330	2.9
297.11313	3.3
299.12802	2.7
303.87170	2.0
311.12640	2.6
313.14310	13.7
325.14450	2.5
331.15350	60.0
332.15543	2.1
343.15421	9.0
644.21527	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	644.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53432	1.4
64.13750	1.4
65.84851	1.7
67.05503	1.5
69.03413	2.1
69.40045	2.5
69.40395	7.0
78.04705	1.7
79.05479	3.5
81.00227	1.7
85.02901	4.2
90.87157	1.7
91.05482	5.9
93.07033	4.3
95.04961	3.6
97.02889	2.1
98.23386	3.4
103.05478	3.4
105.07007	7.6
107.04939	8.6
107.05573	1.5
115.05456	3.3
117.07009	2.5
121.06486	7.7
123.04419	5.6
124.05294	1.6
129.06992	9.4
131.04945	2.0
131.08534	1.8
133.06467	10.9
137.05945	8.3
140.04701	3.6
145.06477	2.7
147.04420	1.8
147.08035	2.5
149.05968	2.9
151.03925	2.4
151.07509	13.2
152.04608	2.0
153.05489	3.7
155.07066	4.3
157.06468	7.4
161.05960	26.5
161.09622	5.0
162.06714	2.0
163.07536	8.3
165.06992	1.8
165.09138	3.8
166.06358	1.7
167.07030	49.1
167.08383	1.7
174.06752	4.4
175.07533	9.4
177.09088	100.0
181.05000	1.8
181.08569	31.8
182.07271	2.3
187.07533	1.8
189.09085	34.2
191.07028	3.4
193.08562	41.9
195.08104	2.2
195.10027	3.0
197.09575	3.3
203.10690	2.7
207.10172	4.9
219.08188	2.6
219.10207	5.2
221.11674	21.2
223.07559	4.8
225.09137	6.1
239.07033	2.3
240.07944	1.8
241.08566	3.2
251.06950	3.6
251.10683	3.2
253.08615	6.1
255.10048	3.1
257.11664	6.5
267.09900	1.9
267.12311	10.3
269.08051	3.0
270.08704	2.1
279.10089	3.1
283.09631	6.7
283.13406	2.4
285.11118	9.1
295.09576	1.8
297.11169	1.6
299.09268	1.4
299.12830	2.0
302.11331	1.5
305.14056	2.1
311.12726	2.5
315.12302	8.6
317.13846	6.3
329.13702	4.2
341.13895	1.8
343.15356	15.2
359.15054	2.8
360.15634	16.8
361.16425	72.7
362.16708	4.2
373.16443	2.5
375.18076	3.0
435.20126	63.9
436.20349	1.8
447.19751	2.1
644.21686	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	644.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.8
56.51945	1.7
57.07065	29.1
67.05500	5.2
69.07060	5.2
71.08620	27.5
73.06546	6.9
75.04460	1.8
79.05475	3.4
79.87360	1.4
81.07045	5.0
83.08598	1.9
84.46380	1.4
85.10167	17.0
87.04481	7.1
89.06018	100.0
93.07050	3.5
95.08588	3.8
97.10139	4.5
99.11702	2.2
107.07075	2.1
107.08559	1.8
111.11668	2.9
113.13257	2.0
115.03902	2.6
117.09092	7.9
119.08546	1.6
121.10109	1.9
123.08043	1.6
130.08594	1.4
131.07033	3.3
133.08580	53.3
169.19501	3.5
177.11189	18.0
183.21277	1.5
193.12256	1.8
213.22176	2.5
221.13832	4.4
239.14928	1.6
257.24811	6.3
283.17520	1.9
301.27341	1.9
459.27786	2.6
469.33871	1.6
529.38361	2.6
529.77863	1.5
584.22504	2.1
627.46399	2.7
644.49249	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2511
Annotation	Buddlenol D
Peak:m/z	Relative Intensity
50.31097	0.4
51.32165	0.4
57.56837	0.4
62.73861	0.4
70.06597	0.5
71.42454	0.5
79.05482	0.7
86.09702	0.6
86.24329	0.4
91.05465	0.7
126.68195	0.4
136.07611	0.5
137.05952	1.9
141.05247	0.7
145.08583	0.5
149.05949	0.5
153.05591	0.4
164.07129	0.9
169.04865	0.6
181.04974	0.9
191.07118	1.2
192.07452	0.4
209.08026	0.8
230.99425	0.4
243.11452	0.7
285.09558	1.1
285.12418	0.6
364.12814	0.7
367.11450	0.6
383.14737	1.7
587.21069	0.8
645.25061	100.0
646.25391	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	645.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	0.7
68.47164	0.4
69.07022	0.4
70.51144	0.4
79.05488	0.7
81.07034	0.7
83.08544	0.4
89.06033	0.7
91.05503	0.6
92.54113	0.4
93.07041	0.9
95.04926	0.3
95.08592	0.8
101.14686	0.4
105.07011	0.8
107.08593	0.5
113.94023	0.4
119.08598	0.6
135.08070	0.4
145.10045	0.5
155.08690	0.5
206.54588	0.5
211.32661	0.4
367.10074	1.3
374.13788	0.5
645.28674	100.0
646.29016	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	645.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85971	3.7
69.65537	8.5
69.65923	8.2
79.05486	3.8
82.06575	3.9
89.83322	4.2
91.05469	7.0
93.07060	7.6
94.06547	15.1
95.07365	8.4
96.08114	15.7
98.23473	7.8
98.26470	3.7
106.06541	9.2
108.08098	24.1
110.09670	34.5
113.65544	4.3
120.04422	6.5
120.08082	26.8
122.06004	12.1
124.07563	13.8
134.05981	6.8
136.07539	55.8
137.86362	3.8
138.09119	50.5
144.04430	6.4
144.81602	4.2
146.06020	15.5
148.07544	31.8
150.09148	7.1
152.07007	34.5
160.07520	4.6
164.07077	9.9
166.08612	62.9
172.03943	25.8
174.09218	5.0
176.07069	4.7
176.48669	4.0
190.05014	21.3
197.10840	6.6
198.11537	7.2
204.06546	34.5
205.04987	7.8
210.11491	7.8
211.12277	16.1
212.12888	5.5
223.12320	14.2
225.10210	14.6
225.13773	5.9
226.10938	15.5
227.11597	8.6
229.13348	5.2
236.09523	4.9
237.10080	21.2
238.10971	17.9
239.11807	16.2
249.10201	12.5
250.10912	9.3
251.11787	32.3
252.12601	11.8
253.09560	5.5
253.13362	9.1
255.11356	5.9
256.11908	10.2
257.12820	7.2
259.14188	5.0
263.11801	23.9
264.08887	7.3
264.12613	7.4
265.09689	16.7
265.13284	15.3
266.10394	11.9
267.11270	46.9
268.11832	8.1
269.12817	11.7
271.14423	11.5
273.12274	5.6
277.09827	8.4
277.13077	5.2
278.10287	6.2
279.11270	62.5
280.11929	6.4
281.12872	19.7
282.13419	5.1
283.10718	15.8
284.11539	21.9
285.12286	71.2
287.13950	7.5
289.15619	5.6
291.11169	13.5
292.12131	5.5
292.23294	4.4
293.12659	20.3
295.10757	10.2
295.14200	6.4
296.11441	13.1
297.12305	100.0
298.13107	6.1
299.13846	9.9
301.07108	7.8
309.12317	45.4
310.12979	12.8
311.10184	10.5
311.13736	7.6
312.10788	4.8
313.11841	6.1
319.10812	19.3
321.12280	28.9
323.10242	18.6
325.11740	41.2
327.13358	32.7
337.11795	86.2
338.12152	5.4
339.13458	11.1
341.11295	4.6
343.12839	6.1
357.14304	11.5
359.15802	5.8
369.14545	5.5
392.19604	7.3
402.17929	10.9
404.19595	13.0
412.16699	5.7
416.20071	5.5
418.17245	7.2
420.19626	4.7
422.20645	7.5
430.17538	24.6
432.19089	15.2
444.19159	5.8
446.20657	12.7
448.18463	66.5
449.19321	60.2
450.20267	56.0
460.18732	43.4
462.20432	6.3
474.20087	13.2
476.18158	24.7
477.18900	19.3
478.19666	23.8
480.21136	7.2
490.19656	80.6
491.20532	29.9
492.21179	36.3
493.21701	5.7
522.22388	25.6
523.23138	19.5
567.25726	5.4
595.25671	24.6
613.26392	97.4
614.26782	6.1
645.22656	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	645.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49380	1.5
51.61073	1.5
65.03941	1.7
67.05507	5.3
69.07064	1.7
69.32282	6.9
78.35780	1.4
78.90233	1.4
79.05492	4.9
80.04988	2.6
81.07037	2.7
82.06550	1.6
91.05469	5.0
93.05839	1.6
93.07021	8.9
94.06554	11.9
95.04960	2.7
95.07349	7.9
95.08573	2.0
96.08116	22.9
97.06535	2.4
98.22675	3.1
105.04477	1.7
105.07012	2.0
106.06569	6.4
107.07366	2.5
108.08102	27.3
110.09663	31.1
115.30713	1.3
116.04984	2.5
118.06554	2.6
119.07309	2.0
120.04479	4.5
120.08097	21.9
121.08873	3.4
122.06025	20.1
122.09721	2.7
123.04424	3.0
124.07561	12.2
132.08095	2.3
134.05998	3.1
136.07553	55.8
137.05977	3.2
137.07927	1.5
138.05434	2.5
138.09128	47.7
144.04451	7.0
146.05984	13.6
148.07564	25.1
150.09128	9.8
152.07048	33.1
154.79465	1.4
160.03957	2.0
160.07599	3.9
162.05481	5.2
164.07028	12.0
165.07883	2.2
166.08620	65.5
167.07040	4.4
172.03912	29.9
174.05511	4.4
174.09108	2.2
176.07074	5.2
182.08157	2.2
190.04961	26.0
191.03403	4.1
191.07060	1.9
192.06563	3.0
197.10707	4.4
198.09732	1.5
198.11417	10.0
199.12321	3.4
204.06541	51.8
209.10718	4.3
210.11479	11.8
211.12221	16.8
212.09409	2.0
212.13091	6.2
213.13834	2.2
218.08195	5.0
223.12273	14.3
224.09383	2.7
224.12988	3.6
225.10165	21.9
225.13808	3.7
226.10988	14.0
227.11777	10.5
229.13327	3.2
233.10718	2.2
235.08635	3.6
235.12364	4.0
236.09300	2.3
236.13040	2.1
237.10185	24.3
237.13802	2.3
238.10970	17.7
239.11737	19.6
240.12531	2.8
241.09766	3.5
241.13280	2.9
241.40044	1.7
243.11195	1.8
246.07608	4.6
248.09473	2.9
249.10178	9.5
250.10945	11.1
251.08307	1.5
251.08992	2.3
251.11758	33.3
252.08943	5.7
252.12550	9.4
253.09761	5.5
253.13350	12.5
255.11319	7.0
256.12061	9.4
257.12689	5.7
262.11072	5.7
263.07993	4.6
263.11755	27.6
264.08621	8.2
264.12592	5.5
265.09799	14.6
265.13257	16.3
266.10437	13.1
267.11234	44.0
268.11862	3.9
269.12747	13.7
271.06119	1.7
271.10849	4.9
271.14413	15.1
273.12296	8.5
275.11603	2.6
276.08762	2.6
277.09729	7.8
277.12979	2.7
278.10495	8.1
279.08160	2.9
279.11243	59.5
280.11938	10.8
281.09811	2.7
281.12811	19.7
282.10126	2.4
282.13531	3.2
283.10745	10.3
284.11566	22.0
285.12299	79.5
286.12769	3.4
287.13980	5.5
288.14700	1.7
289.15457	4.5
291.11246	16.9
292.11993	5.8
293.09433	3.8
293.12759	23.2
294.13248	2.0
295.10941	3.8
295.14398	2.8
296.11566	11.3
297.12302	96.6
298.12885	8.5
299.13828	13.3
307.10809	4.0
309.12250	33.6
310.13107	11.2
311.10193	12.1
311.13992	6.0
312.11002	3.0
313.11856	4.4
316.14319	3.4
319.10721	16.0
321.12268	30.1
323.10223	23.9
323.13669	3.0
324.10782	3.7
325.11807	34.1
326.12210	2.3
327.13312	20.6
328.14001	3.3
337.11768	80.4
338.12366	6.4
339.13361	8.3
341.11249	3.7
342.12207	2.4
343.12946	4.6
344.13742	1.9
346.19254	4.2
355.12900	4.7
357.14545	16.2
358.15283	2.9
359.16003	4.8
360.17117	3.0
362.18646	3.1
367.12814	3.6
369.14487	6.8
370.15649	2.6
371.16260	3.1
372.17065	3.8
373.14093	6.0
374.18716	3.2
376.20474	2.7
385.13983	6.6
386.14636	2.3
388.16495	2.9
390.18140	5.6
392.19525	6.6
400.16458	4.7
402.17892	7.4
404.19705	7.0
406.17413	2.7
412.16595	3.3
414.18219	2.7
416.19925	2.3
418.17429	4.2
420.19058	5.9
422.20532	6.6
430.17529	23.2
431.18268	4.6
432.19412	14.7
433.19409	3.0
436.18610	4.4
442.17276	4.1
444.19131	3.2
446.20920	10.2
448.18607	60.7
449.19458	53.3
449.24487	1.0
449.25827	2.0
450.20251	45.9
451.20822	3.5
460.18625	46.2
461.19269	5.3
462.20377	9.0
463.20892	3.2
472.18832	4.6
474.20325	10.3
476.18207	22.4
477.18951	15.5
478.19635	20.5
480.21198	4.5
490.19763	88.0
491.20398	22.9
492.21277	31.1
493.21979	7.4
522.22369	37.0
523.23077	17.9
524.23358	2.9
567.25641	3.8
571.25232	2.6
585.26080	2.2
595.25543	21.6
613.26514	100.0
614.26642	8.1
622.34802	1.9
645.28833	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	645.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71045	2.5
53.03941	7.8
55.01865	2.8
55.05500	23.3
55.54268	2.9
56.75824	2.3
57.03431	7.4
57.07077	9.1
61.02924	12.7
65.03937	7.4
67.05489	30.4
69.03424	41.2
69.07056	16.1
69.23003	2.3
71.04987	5.3
73.02906	7.8
77.69381	2.4
79.05482	23.9
79.05877	2.6
80.63535	2.6
81.03411	13.9
81.07046	55.2
81.07491	4.2
83.04995	2.4
83.08611	17.6
84.76052	2.3
85.02894	74.6
85.14055	2.4
87.04459	8.4
91.05469	31.4
93.07031	36.5
95.04973	6.4
95.08597	43.7
97.02885	29.1
97.10174	7.0
99.04449	4.4
105.07025	36.9
107.08571	64.3
107.09229	5.1
109.02886	9.5
109.06524	5.9
109.10144	47.7
111.08105	4.8
115.05457	4.2
117.07026	9.5
119.08578	27.4
121.06499	22.6
121.10131	33.6
123.08098	4.7
123.11685	28.2
127.03915	16.7
129.07014	6.3
130.07849	4.4
131.08539	18.4
133.06519	8.3
133.10167	10.7
135.08031	12.3
135.11734	9.1
137.13278	3.1
139.07616	3.8
143.08557	15.4
145.05008	5.5
145.06522	3.1
145.10107	31.6
147.08105	8.0
147.11705	11.5
149.09695	4.1
149.13287	9.5
155.08583	3.9
156.09317	4.1
157.06595	5.2
157.10074	16.6
158.07248	2.5
159.08000	24.1
159.11647	18.9
161.09627	15.0
161.13261	4.5
163.14857	9.4
167.08563	3.6
169.10193	9.6
171.08025	6.4
171.11642	14.1
173.09601	67.2
173.13306	11.9
175.11154	19.6
175.14926	3.2
177.16354	15.9
181.10159	7.8
182.10974	3.8
183.08095	3.6
183.11710	8.0
185.09651	9.7
185.13298	7.5
187.11147	14.8
187.14819	6.5
189.12766	4.3
193.10219	4.8
195.11710	8.0
197.09723	3.8
197.13338	8.6
199.11183	12.9
199.14923	8.3
200.12024	3.4
201.12744	14.2
201.16373	3.2
207.11682	3.1
209.13342	5.8
211.11288	4.6
211.14925	7.0
213.12827	11.2
213.16417	6.3
215.14319	26.7
218.10934	3.2
221.13313	5.4
223.14917	7.2
225.12784	4.6
227.14337	11.3
229.15775	15.6
233.15443	11.7
235.14862	3.1
237.16400	5.7
239.14494	3.5
241.15845	19.1
243.17331	3.3
247.17067	11.4
249.16426	4.9
253.15959	3.1
253.19559	4.0
259.16913	14.5
261.18619	3.0
263.18033	6.7
265.15976	4.5
265.19714	4.0
267.17499	4.5
275.17868	3.0
279.17703	5.0
279.21136	4.0
281.18973	25.6
283.17667	4.0
283.20355	15.2
293.18991	3.9
295.20688	3.5
297.18939	5.2
297.22037	20.1
299.20038	38.1
299.23346	3.1
301.21732	6.5
303.21124	5.2
309.22217	4.0
317.22586	3.6
323.24097	3.1
327.23370	3.5
335.23706	4.0
339.23361	3.5
353.24719	6.5
357.24179	4.0
387.30267	13.6
405.31320	21.1
421.22452	9.0
423.32501	20.1
447.32718	7.9
459.23856	7.2
461.25049	20.4
463.27081	11.1
465.33960	5.9
475.26782	4.6
483.34860	5.3
489.28577	7.7
501.28964	4.3
515.30365	7.3
585.37683	34.4
585.46460	3.1
603.39026	3.7
645.39978	100.0
646.41284	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	645.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.7
51.02371	1.5
51.50957	1.4
53.03935	5.3
55.01863	3.4
55.05499	17.6
57.03431	8.8
57.07062	5.8
59.05005	1.5
61.02917	13.6
65.03914	4.7
67.05215	1.4
67.05491	43.7
69.03416	52.2
69.03799	2.5
69.07053	15.5
70.03795	3.5
70.46611	1.1
71.01347	1.5
71.04974	5.4
71.08617	2.4
73.02554	1.3
73.02902	8.5
77.03912	2.1
79.05482	36.9
81.03406	16.8
81.07040	60.2
83.01331	1.9
83.04971	1.6
83.08604	13.4
85.02889	71.4
87.04449	10.8
89.07079	1.1
91.03947	5.3
91.05461	38.6
91.93027	1.1
93.07027	53.7
95.04960	13.4
95.08589	58.3
97.02871	31.3
97.06508	2.6
97.10143	3.4
99.04459	7.0
99.04996	1.2
101.02351	2.1
103.03889	1.5
103.05447	3.7
105.03374	2.1
105.04513	4.2
105.07011	54.2
107.04921	5.0
107.08572	77.2
109.02872	11.1
109.06513	7.6
109.10134	55.1
110.10511	1.3
111.08068	3.7
115.03913	2.2
117.06985	10.6
119.04937	4.2
119.06081	1.4
119.08563	29.5
119.09410	2.0
121.06485	29.8
121.10122	39.2
123.08045	8.2
123.11682	37.5
125.09597	1.4
127.03886	14.3
128.06183	2.7
129.06967	7.5
130.07793	2.7
131.08537	24.0
133.06483	9.3
133.10101	18.3
135.08037	18.7
135.11650	13.1
137.09573	2.7
137.13235	3.1
139.07521	2.0
141.06944	3.1
141.62404	1.2
142.07751	4.2
143.08536	20.2
144.09325	2.8
145.04944	6.1
145.06448	4.1
145.10103	34.0
147.08037	11.0
147.11664	18.1
149.09581	10.0
149.13217	16.4
151.11165	2.0
153.06975	2.1
153.09154	1.6
153.12764	1.4
155.08534	9.3
156.09291	3.5
157.06490	3.6
157.10092	17.6
158.10757	1.4
159.08037	19.8
159.11671	18.1
161.09575	14.6
161.13188	6.3
163.03825	1.9
163.11139	3.5
163.14769	14.0
165.07111	1.4
167.08496	2.9
168.09357	1.1
169.10109	9.0
170.10838	1.8
171.08070	4.4
171.11664	11.4
173.09584	49.1
173.13194	11.0
174.10016	1.4
175.11154	25.3
175.12617	1.6
175.14818	4.5
177.12833	1.1
177.16353	11.8
179.08510	1.6
180.10902	1.4
181.10158	5.2
182.10928	1.4
183.11652	8.1
184.12500	1.4
185.09610	8.4
185.13191	9.8
187.11139	19.2
187.14778	9.4
189.12755	10.6
191.10776	1.5
192.09279	1.1
193.10161	2.1
194.10971	1.6
195.11662	5.4
197.09608	3.0
197.13243	8.8
199.11125	13.3
199.12817	1.4
199.13142	1.5
199.14799	9.6
200.11919	2.4
201.12720	14.4
201.16399	4.3
203.14291	3.4
203.39282	1.3
205.10086	1.3
207.11711	1.3
209.13184	5.9
211.11220	2.9
211.14807	5.8
213.12709	12.2
213.16364	5.1
214.13533	4.4
215.14264	31.6
221.13200	3.2
223.11156	1.4
223.14758	4.9
225.12782	3.6
225.16449	3.5
227.14264	10.4
227.18024	2.6
229.15820	24.8
231.17424	1.2
233.15306	13.5
235.14796	2.3
237.12599	1.2
237.16422	2.9
239.14229	3.2
239.17955	3.5
241.15855	16.8
241.19487	1.5
243.17418	7.7
247.16864	26.5
249.16356	2.0
251.17990	1.9
253.15886	2.6
253.19519	4.0
255.17453	4.9
255.21220	2.4
257.19058	1.9
259.16864	9.3
261.16165	1.5
261.18527	4.5
263.17981	4.2
265.15906	1.3
265.19400	3.4
266.16666	1.8
267.17542	3.6
267.20950	2.4
269.19202	1.9
269.22635	3.3
273.18594	1.5
277.19577	1.8
279.17984	1.4
279.20944	2.4
281.18967	14.6
281.22025	2.1
282.20004	1.5
283.20511	18.9
285.18515	2.1
287.19965	2.9
289.19278	1.2
291.20660	1.5
295.20667	4.1
297.22052	26.1
299.20020	34.6
299.23300	1.6
301.21588	8.9
307.20547	2.3
309.22147	3.9
311.19983	1.3
311.23679	1.5
313.21536	5.1
315.23242	1.5
321.21793	3.1
323.23691	1.8
325.21555	1.6
327.23193	3.4
331.24356	1.7
335.23544	3.7
339.23145	2.0
341.24512	1.6
347.41779	1.3
349.25244	1.8
353.24762	5.3
357.24173	4.9
358.73355	1.3
367.26154	1.5
387.30518	8.3
405.31409	17.6
421.22357	3.2
423.23599	1.9
423.32480	22.8
424.32776	1.6
435.23984	2.2
449.25452	1.9
459.23801	5.1
461.25278	15.1
463.26773	11.3
465.33963	1.6
473.25266	2.0
475.26782	5.6
477.28360	6.0
483.22278	2.9
483.34888	1.7
487.26733	1.6
489.28577	5.8
491.30133	1.9
501.28333	3.9
503.29730	3.5
510.07312	1.4
515.30042	8.5
529.31573	3.3
567.36670	3.7
585.37708	35.4
586.37726	1.5
603.38873	7.4
645.27808	16.3
645.39764	100.0
646.40100	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	646.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01864	4.9
55.05513	0.7
57.03433	2.1
59.04991	1.6
61.02919	1.2
63.75871	0.6
67.05506	3.1
69.03420	22.0
69.03799	1.0
69.11077	2.1
69.11478	1.5
71.01363	0.8
71.04984	33.5
73.02897	1.1
79.05499	0.8
81.03410	9.5
85.02901	10.1
85.06530	8.2
86.09667	0.7
87.04463	4.6
91.05450	0.7
95.04963	4.1
97.02887	14.8
99.04438	2.8
107.08612	0.5
109.02867	7.3
109.10124	0.9
111.04414	0.6
113.05986	8.1
115.03918	74.7
115.52126	0.5
116.04222	0.8
117.07011	0.7
123.04453	0.8
125.09606	0.5
127.03900	29.7
127.07537	22.8
129.06981	1.3
131.07025	5.3
133.04979	3.3
137.05974	0.8
137.09579	1.6
141.05464	1.2
145.04968	4.4
145.08575	100.0
146.08890	1.4
155.07016	5.9
157.04913	2.1
163.03862	1.7
163.07507	1.0
173.05960	1.1
173.08078	2.7
175.06035	0.8
177.05463	0.6
184.73125	0.7
191.09108	3.9
205.08528	0.6
211.05923	0.8
223.05992	1.4
227.09039	0.9
241.07042	5.6
247.41809	0.6
257.10120	2.9
259.08099	10.9
269.10577	0.7
269.13602	1.1
275.05313	1.3
277.09201	3.6
281.10123	0.7
287.11316	5.2
288.49313	0.6
299.11108	1.5
301.08987	2.0
317.12241	4.6
319.10425	1.2
334.91391	0.7
335.13196	2.4
371.13147	0.8
389.14197	1.2
413.14175	2.7
431.15375	11.1
449.16492	64.0
450.16507	2.6
452.23102	0.9
467.17697	0.7
479.61288	0.7
484.25034	1.9
646.21582	0.6
646.30463	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	647.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20660	0.4
55.01863	4.3
57.03421	0.8
59.04991	1.4
61.02922	0.7
66.45911	0.5
66.74442	0.5
69.03420	8.3
69.28836	1.0
69.29224	1.1
70.06567	1.4
71.04997	3.3
73.02924	0.6
81.03399	2.1
83.04952	0.7
85.02895	10.6
86.09650	0.5
87.04453	3.6
91.05457	1.2
95.04945	0.6
97.02881	10.3
98.03220	0.5
98.22710	1.1
99.04430	0.6
104.05009	0.8
105.03378	1.1
107.62310	0.4
109.02895	2.9
115.03915	59.1
116.04256	0.6
119.04913	2.4
120.05259	0.7
120.08086	1.1
127.03899	4.7
129.05438	1.1
130.06538	1.4
132.04417	7.9
133.05132	13.9
134.05991	1.3
137.05956	0.5
142.84386	0.5
145.04955	1.8
145.08635	1.0
146.05962	1.3
147.04384	17.2
148.04726	6.2
148.07547	5.6
154.99739	0.5
156.04413	1.3
160.03914	72.5
161.04297	1.3
163.03966	0.5
164.07060	1.4
165.05380	0.5
170.05928	0.7
172.03853	1.2
173.04532	0.5
174.05508	6.0
177.04143	1.4
178.04964	17.8
184.03915	6.7
187.05954	0.9
192.06526	100.0
193.06889	2.0
198.05447	1.6
202.04956	21.6
212.07068	0.5
214.04965	0.9
216.06534	5.0
220.06044	0.7
221.28354	0.5
226.04953	5.3
228.06575	0.6
230.07857	0.7
234.07561	7.7
240.06586	1.3
241.07089	0.7
244.05978	1.0
249.16237	0.5
255.85799	0.5
256.06271	1.0
258.07483	3.6
259.08060	4.4
264.68686	0.5
268.06015	6.1
274.07074	1.0
277.09180	2.0
286.07098	2.3
300.08524	1.4
304.08078	1.6
322.09326	1.5
382.09409	0.6
400.10138	3.9
418.11383	3.5
436.12341	26.1
437.12704	1.5
454.13608	1.4
598.17999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02677	0.3
56.78381	0.3
61.14478	0.4
67.05479	0.4
69.03410	0.3
81.07054	0.5
85.02895	0.3
86.57688	0.3
91.05490	0.4
93.06993	0.5
95.08605	0.3
99.04453	0.4
104.58791	0.3
105.07040	0.4
107.08577	0.5
109.10170	0.3
119.08555	0.7
121.10139	0.7
131.08588	0.3
133.10094	0.6
145.10153	0.3
161.09613	0.5
163.11157	0.5
185.04276	0.4
203.05324	0.7
243.08372	1.0
303.38187	0.3
307.42004	0.3
429.25906	1.5
485.28809	2.6
486.60382	0.3
550.49646	0.3
647.33868	100.0
648.34021	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	647.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99924	0.4
63.86225	0.4
66.01714	0.3
67.05507	0.4
69.07039	0.5
76.15762	0.3
79.05478	0.7
81.07056	0.9
89.67598	0.4
91.05467	0.7
93.07058	1.0
95.08591	0.6
98.23437	0.9
105.07028	1.0
107.25085	0.3
107.61482	0.3
109.10105	0.4
116.31565	0.3
119.08581	0.7
121.10162	0.6
123.08067	0.4
143.08643	0.6
147.08055	0.5
151.15132	0.3
155.08563	0.4
167.10727	0.7
169.10173	0.4
203.05296	0.8
221.15440	0.5
243.08453	1.3
259.08075	0.5
323.05847	0.4
350.13565	0.4
429.25836	1.8
450.15897	0.5
485.28683	2.4
543.37122	0.5
647.33905	100.0
648.34186	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	647.437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52149	0.7
52.55213	0.8
56.05030	6.2
57.03423	1.2
57.07062	1.0
58.06586	2.6
66.48997	0.7
67.05491	1.6
69.07063	1.1
71.08622	1.6
74.06068	33.7
79.05477	0.8
81.07044	2.0
84.04462	1.3
86.09692	100.0
93.07059	1.4
95.04953	0.9
95.08580	1.0
96.04461	1.3
102.84402	0.6
105.07005	1.5
107.08572	1.1
115.47005	0.9
119.08614	1.3
120.08086	19.4
125.10697	0.8
133.10069	0.9
142.12212	1.3
143.11761	1.2
146.33139	0.7
152.10666	4.1
158.09576	1.1
163.11215	1.1
165.09106	0.9
166.08615	12.6
167.08984	0.8
187.14377	4.3
196.47063	0.8
197.12885	2.0
203.11751	0.8
211.20514	1.2
215.13930	5.8
221.12915	1.7
221.15393	1.1
231.11188	1.4
249.12268	4.3
262.30698	0.9
267.13336	26.5
268.22766	1.8
277.11850	1.8
327.38321	0.8
343.29047	0.7
362.20709	6.3
381.31122	13.0
436.35358	2.5
464.34787	2.7
482.35846	4.4
505.75577	0.8
580.92596	0.8
629.22943	1.2
629.42419	7.0
630.42657	1.1
647.24530	2.1
647.43073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.05504	0.6
59.25601	0.5
62.30952	0.5
65.03931	1.4
67.05492	1.7
69.03423	2.9
69.07031	1.5
71.04984	29.3
75.52373	0.5
79.05476	2.0
81.03424	3.0
81.07043	1.1
82.06551	0.6
83.41125	0.6
84.04472	0.8
85.02892	3.2
85.06525	5.5
89.30736	0.5
91.05450	1.6
92.04984	0.8
93.07014	2.6
94.06548	1.8
95.04961	2.5
95.07317	1.1
95.08574	1.2
96.08118	4.2
97.02872	3.5
97.06521	1.1
99.04466	0.8
105.07012	0.9
106.06548	0.8
107.08577	1.1
108.08109	10.7
109.02879	2.8
109.10137	0.9
110.09669	7.5
113.05991	4.5
115.03944	0.6
116.04942	0.6
119.08595	0.7
120.04464	8.7
120.08081	7.2
121.10136	0.7
122.09596	0.6
123.11776	0.5
124.07588	0.6
126.09141	1.8
127.03910	3.4
127.07545	13.2
131.07021	5.6
133.10089	0.9
134.06006	1.7
135.04373	0.8
136.07565	23.0
137.05966	1.0
137.09595	0.7
138.05479	1.3
138.09119	11.5
145.08578	65.6
146.08899	1.0
148.06000	1.0
148.07584	5.8
150.33542	0.6
154.08617	25.9
155.07007	1.4
155.58885	0.6
162.05481	100.0
163.03877	4.1
163.05794	1.7
166.08614	25.3
173.08043	1.0
191.09135	2.1
196.09648	1.4
198.11607	0.6
212.09389	1.2
226.10979	0.5
227.11778	3.4
251.11816	0.8
254.10158	0.7
255.11255	3.8
257.10245	0.9
269.12793	4.5
273.12360	3.0
287.13824	3.8
297.12305	11.5
299.11295	1.0
315.13342	97.9
316.13626	3.2
317.12286	1.5
329.14865	0.8
335.13300	0.8
469.31531	1.4
470.20401	0.8
487.34131	0.6
649.24304	0.6
649.38245	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	649.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29480	4.5
55.05492	22.5
57.03429	14.5
57.07058	9.7
57.71956	4.7
60.06269	4.5
61.02914	34.2
67.05158	6.8
67.05495	89.9
69.03406	10.4
69.07059	14.7
71.04986	10.0
71.44706	4.6
73.02915	12.1
79.05478	81.9
81.07043	95.3
83.04966	6.0
83.08619	14.2
85.02888	36.0
85.06534	8.0
85.59645	5.3
89.05928	5.2
91.03944	30.3
91.05459	40.1
91.35534	5.6
93.07024	95.0
94.07005	5.2
95.04972	6.4
95.08589	65.8
97.02859	15.3
97.06492	5.9
103.61402	5.2
105.04467	6.4
105.07028	32.0
107.08578	53.8
109.10121	38.5
111.08040	9.2
117.06992	25.0
119.08549	27.1
121.10124	57.3
123.11670	22.8
127.03935	7.6
131.08557	27.8
133.10109	30.5
135.11681	67.8
137.09564	8.9
142.46982	5.5
145.04947	13.2
145.10121	27.5
147.11693	24.9
149.13229	43.1
157.10179	5.4
159.11623	31.8
163.03905	17.2
163.05981	16.6
163.11124	7.7
173.13246	21.1
203.68976	6.6
205.19476	16.3
215.17906	90.9
216.00192	5.1
233.18948	100.0
307.22461	29.5
325.23624	24.1
469.28018	7.1
492.06573	6.0
531.21680	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	649.39
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75062	2.0
55.01849	3.3
55.05502	11.7
56.05036	2.4
59.48958	2.1
67.05494	18.4
69.03407	6.1
69.07042	15.6
71.04965	3.7
79.05472	6.9
81.03411	2.3
81.07043	44.1
83.04965	3.0
83.06102	14.7
83.08608	5.4
84.04494	52.1
85.02885	6.4
85.06526	5.2
91.05464	6.1
93.07027	19.7
95.04955	7.6
95.08586	35.8
95.34630	2.5
97.02889	5.0
97.06543	3.1
97.10162	5.5
99.04453	2.6
101.07132	10.1
105.06993	11.6
107.08581	20.3
109.06456	3.2
109.10141	24.1
110.06092	2.4
111.04433	3.7
111.08047	4.2
113.05981	2.5
119.08602	6.9
121.06499	5.0
121.10175	15.4
123.11698	9.9
125.05982	4.8
127.03929	2.4
128.07887	2.2
129.06575	55.0
130.04982	76.7
133.10114	5.7
135.04370	3.8
135.08035	4.4
135.11673	11.6
137.05908	3.3
137.09587	2.1
139.11192	2.1
145.02771	2.2
147.04439	2.3
147.07622	100.0
147.11667	6.4
147.98433	2.2
149.13263	9.5
161.09598	3.1
163.03886	23.4
163.11118	3.0
163.14821	3.6
165.09024	2.6
177.16458	2.6
189.16364	2.4
210.14767	3.1
260.45294	2.2
287.23633	4.8
305.24655	5.4
419.99292	2.5
433.30447	2.7
434.29013	4.3
439.31781	2.5
445.45660	2.3
451.31570	39.0
469.32657	29.0
480.48022	2.3
649.25421	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	650.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
65.03922	1.7
69.03426	2.3
69.35401	1.1
69.35811	0.5
69.59586	0.3
70.06581	0.6
70.18082	0.3
71.04965	0.3
72.08153	1.7
81.03410	6.1
85.02901	1.9
95.04922	1.9
97.02867	2.2
97.25394	0.3
99.04447	0.7
104.22486	0.3
109.02885	2.4
111.04442	2.2
115.08665	0.4
120.08051	0.7
121.02851	88.4
122.03181	1.2
127.03876	1.7
132.04445	6.8
133.04758	0.4
139.03880	5.7
145.04962	0.8
160.03900	0.4
163.03912	1.0
178.04970	58.9
179.05312	1.2
206.04459	100.0
207.04813	2.7
265.07010	8.6
271.45917	0.3
283.08093	7.4
445.13416	0.6
488.11789	14.1
489.12173	0.5
650.16901	1.4
650.35535	2.3
677.32813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52794	0.7
56.96549	11.7
65.29327	0.5
66.63970	0.7
67.31878	0.5
68.96527	0.6
84.96013	7.1
85.02848	0.7
97.02863	1.4
98.97562	42.1
110.97545	20.3
112.99047	1.4
116.05625	0.7
116.98589	12.4
124.99032	2.2
126.96970	0.7
128.09172	0.8
128.98578	21.3
131.00073	2.5
134.99570	2.2
140.98561	12.0
143.00125	7.6
144.97978	2.3
146.99600	6.3
149.01160	1.1
152.98576	4.1
155.00087	1.9
158.98373	1.0
158.99617	16.0
161.01172	3.8
167.16602	0.7
168.98061	3.3
170.99609	9.5
173.01265	3.3
173.02499	0.7
174.99042	0.7
177.00694	8.6
182.99619	5.6
186.99109	4.5
187.45773	0.7
189.00653	4.8
194.99576	5.8
196.32809	0.7
201.00647	14.3
213.00642	8.5
219.01718	73.0
220.01976	0.8
225.00668	5.9
227.02106	1.8
229.00139	1.6
231.01677	2.6
237.00847	5.4
237.02765	85.0
238.03032	1.3
243.01634	2.9
255.01643	2.3
255.04012	3.6
279.03708	0.9
285.02734	11.6
303.03769	13.0
315.03787	100.0
316.04175	2.2
333.04840	95.5
334.05322	1.9
356.06412	1.3
375.05893	85.0
376.06152	3.1
425.45590	0.8
435.89758	0.7
674.22180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	5.7
69.84977	1.9
75.79665	0.6
79.40755	0.6
84.04496	0.7
84.96019	2.2
86.09684	1.9
89.38525	0.6
98.97568	28.3
105.69487	0.7
110.97549	7.5
112.99110	1.1
116.98600	12.6
119.66100	0.6
124.99191	0.7
127.03926	0.6
128.98572	8.4
132.10208	1.1
134.99622	2.3
140.98584	4.0
143.00139	3.1
146.99625	3.9
152.98615	2.0
158.99623	19.7
161.01230	3.5
162.99400	0.6
170.99634	8.8
173.01245	1.4
175.27985	0.8
176.03319	0.7
177.00696	13.8
182.99658	2.0
186.99100	1.6
189.00687	8.2
194.99667	3.0
195.01625	0.5
197.01266	0.6
197.12883	0.8
201.00610	4.9
207.01720	2.9
213.00711	6.8
219.01729	50.2
225.00661	1.5
227.02242	0.9
231.01688	1.9
237.00751	2.0
237.02773	51.4
243.01715	1.9
243.13489	2.0
255.01692	6.8
255.03943	2.7
261.02789	0.8
267.01709	1.1
279.03806	12.4
285.02692	4.3
296.06470	2.1
296.56836	1.0
303.03809	5.2
304.66287	0.6
313.21024	0.6
315.03812	55.9
316.03986	1.3
329.05286	0.9
333.04858	61.0
334.05371	2.1
339.06146	1.4
351.05972	3.2
356.06281	0.9
375.05914	100.0
376.06204	3.2
393.06842	4.9
397.11450	0.6
405.07040	1.1
435.08124	5.2
491.11984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25366	0.3
69.03420	1.2
70.47130	0.5
70.47459	0.4
85.02898	2.6
87.04461	0.5
91.05437	0.4
91.87598	0.3
97.02870	1.6
109.02888	0.5
115.03912	0.4
118.06512	1.2
119.18582	0.3
127.03928	0.4
128.04974	1.7
128.05841	0.3
130.06479	1.4
132.08047	0.8
132.60793	0.3
142.06500	0.8
145.04955	0.4
146.05981	100.0
147.06334	2.4
148.03920	0.7
156.08072	0.5
158.05977	3.5
159.06786	0.5
160.07541	3.1
170.05994	0.8
181.44302	0.4
184.07556	1.2
188.07028	13.4
190.04965	11.7
208.06012	30.4
209.06375	0.6
212.07033	2.6
224.06956	0.4
232.05943	0.4
235.33339	0.3
250.07028	0.3
290.10266	0.7
308.11191	4.2
352.10178	8.5
352.14261	0.7
353.10410	0.4
370.11261	10.0
371.11655	0.5
372.79169	0.3
517.69659	0.3
633.62109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28544	0.5
56.74122	0.4
62.05312	0.5
69.03412	1.3
71.42775	0.6
72.08733	0.6
72.98969	0.5
75.04869	0.4
83.85762	0.4
85.02886	3.3
97.02872	1.6
98.06841	0.4
118.06516	1.4
127.03870	1.0
128.04955	2.3
130.06526	2.2
132.08072	1.3
136.28079	0.4
146.05984	100.0
147.06297	1.8
148.03969	1.0
156.69853	0.5
158.05989	3.7
160.07559	4.0
175.42181	0.5
184.07616	1.0
188.05336	0.8
188.07034	13.7
190.04962	11.7
208.06017	33.8
209.06339	0.8
212.06967	2.7
232.05896	0.6
250.07149	0.8
254.08104	0.8
286.56125	0.5
290.10040	0.6
293.01535	0.6
308.11255	2.3
334.09064	0.6
352.10211	5.0
370.11288	9.7
371.11414	0.7
561.58972	0.5
563.34302	0.5
630.87708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72043	0.9
64.94796	0.8
81.07083	1.1
84.34242	1.0
115.27715	0.9
121.25950	1.0
161.07025	1.0
219.06247	1.0
220.29245	0.9
242.75775	1.1
410.13382	3.6
425.12213	2.2
440.14389	8.0
539.25098	1.0
651.24011	100.0
651.36151	4.1
652.24261	7.2
652.35461	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37381	1.0
67.46911	0.8
69.27369	0.8
71.00811	0.7
71.01195	1.1
72.17198	0.9
73.39993	0.9
113.66413	0.9
205.04692	1.1
213.32729	0.8
219.06381	1.8
242.74033	0.8
361.10361	0.9
365.09967	1.5
377.10004	2.3
380.11942	1.0
381.12067	0.9
392.12286	2.2
395.10938	3.5
410.13309	6.9
411.13528	1.1
428.96497	1.0
651.23981	100.0
652.24292	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	651.2621
Annotation	BQ 518
Peak:m/z	Relative Intensity
50.38514	0.4
53.89166	0.4
55.98864	0.4
69.03452	0.5
69.09324	2.6
70.06589	0.4
83.01112	0.5
84.01836	0.4
84.04507	0.4
85.02897	0.4
85.70837	0.4
86.09691	0.7
90.93742	0.4
95.01095	1.1
96.01897	1.0
97.02908	0.4
98.97537	0.4
105.07040	0.4
112.01330	0.8
113.02132	1.6
137.05957	0.8
157.04739	0.5
159.04222	0.7
167.03264	0.4
175.07576	0.5
185.04198	3.2
189.05217	20.8
197.97412	0.4
200.83946	0.5
201.03731	0.6
203.05103	0.8
203.06787	5.9
204.07588	1.3
216.07668	1.1
217.08359	6.6
233.07909	1.1
259.07932	1.1
369.13074	0.5
383.15060	0.7
395.13220	0.7
396.13925	0.5
399.14233	1.7
409.15182	0.6
414.16562	2.2
415.17480	1.5
422.27725	0.4
423.16299	1.2
439.15723	2.7
453.17285	7.9
455.16727	0.7
469.17123	0.7
621.25171	1.0
651.26160	100.0
652.26508	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	651.2801
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
121.68973	1.0
149.93059	1.1
238.20975	1.2
243.56612	1.2
267.54449	1.2
274.57730	1.1
377.17758	1.3
378.17987	1.2
387.16638	1.1
389.18182	1.1
391.19443	1.7
399.16061	2.2
400.16772	2.4
401.17618	3.1
405.20679	1.5
407.22247	4.8
413.17444	2.3
414.18277	4.8
415.19370	8.9
416.20193	1.6
417.20798	1.7
419.22537	1.1
427.15088	1.7
428.20068	2.3
429.21338	8.7
435.21664	1.5
441.16656	1.7
442.17447	1.4
443.18420	4.5
443.22940	3.1
444.18674	5.7
445.20209	2.0
447.17648	1.7
456.19284	1.4
457.19977	4.3
458.20996	2.8
459.18130	2.4
471.22241	7.1
472.23102	5.3
473.19534	4.0
474.20386	3.7
475.17734	1.4
485.19498	2.0
486.20551	5.5
487.20728	3.5
488.21701	1.8
490.19879	2.2
499.21472	7.7
500.22357	2.6
503.24048	3.7
513.18842	1.5
517.22168	6.8
527.20465	1.9
531.23853	11.1
549.24756	4.6
559.23285	95.5
560.23523	7.0
587.22803	16.5
591.25946	1.4
619.25403	100.0
620.25586	5.7
651.27942	17.8
661.36584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44100	0.6
63.04874	0.6
64.59437	0.6
67.05498	0.6
70.47415	0.9
70.47746	1.3
91.05528	0.6
95.08534	0.9
96.03041	0.6
96.95052	0.6
134.29915	0.7
162.03207	0.6
190.02650	1.6
203.05266	2.2
205.04965	9.0
228.45087	0.7
247.32507	0.7
327.15891	2.5
342.29153	0.7
360.10229	0.6
415.24500	14.1
423.50293	0.7
440.14453	1.7
471.30731	14.0
489.32028	1.3
651.24182	15.0
651.36957	100.0
652.25116	1.3
652.37189	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	651.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25890	1.3
85.45810	1.3
108.94301	1.5
138.90877	1.3
150.22182	1.3
200.72783	1.3
203.05202	2.7
205.04907	1.9
309.11932	1.4
360.47446	1.5
471.30786	18.9
607.25311	7.6
651.23718	5.2
651.37073	100.0
652.37494	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	652.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03936	3.8
55.01865	3.3
55.05509	3.9
62.83009	0.8
65.03915	1.2
67.05502	3.6
69.03419	12.4
69.07055	1.3
69.63274	3.5
70.06580	2.4
71.04974	6.5
77.03929	0.9
79.05482	18.7
81.03404	26.1
81.03892	1.3
81.07027	5.1
83.04977	3.2
84.04477	1.3
85.02885	5.7
85.06514	1.0
86.09676	1.3
91.05459	13.1
93.06438	1.9
93.07030	37.0
95.04961	5.0
95.08585	1.5
97.02853	5.8
97.06517	2.6
99.04440	9.0
105.07012	46.2
106.65997	0.9
107.04940	2.6
107.08576	63.4
108.04510	0.9
109.02856	9.1
109.06489	4.2
109.10117	1.6
111.04442	3.5
111.08086	1.4
115.03920	2.7
115.05372	1.2
117.07017	7.0
119.08559	16.0
120.08067	1.2
121.02875	0.9
121.06484	26.6
121.10129	21.4
123.08082	1.5
127.03892	12.3
130.07765	2.5
131.08588	6.3
133.10129	3.7
135.04399	2.2
135.08028	25.9
135.11670	18.8
135.12651	1.7
137.05956	2.8
143.08548	2.1
145.04912	1.1
145.10098	50.3
147.07968	1.3
147.11661	9.0
149.05951	2.8
149.09583	13.7
151.07535	1.1
152.07028	1.5
155.08551	1.1
159.08040	1.3
159.11742	1.1
161.09627	3.2
163.03911	1.4
163.11153	89.4
164.11546	2.2
173.09608	10.4
181.12167	4.4
187.02333	4.0
189.09073	2.1
191.10634	100.0
192.11000	3.3
199.07362	0.9
209.11694	20.4
215.10788	1.1
217.08682	0.9
219.09981	1.1
227.12746	10.7
231.04967	1.8
251.12875	1.2
263.12738	1.1
271.13333	1.5
289.14380	1.4
295.11719	3.4
299.12805	1.5
305.10110	9.0
307.15454	2.5
313.12753	3.2
317.13684	4.2
323.11249	17.7
335.14874	6.9
341.12228	22.7
353.15927	16.5
449.14725	1.4
467.15536	3.4
485.16483	29.5
486.16650	1.5
503.17328	2.3
504.71362	1.0
520.29413	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01863	0.3
55.05527	0.3
61.02903	0.6
67.05478	0.8
68.63187	0.3
69.03424	3.4
69.84480	0.7
71.04984	30.8
72.05339	0.4
73.02907	0.5
81.03416	2.5
83.61945	0.3
85.02890	4.6
85.06535	4.8
89.47366	0.3
95.04954	1.2
97.02881	4.9
98.23358	0.5
99.04443	1.0
100.12881	0.3
102.88647	0.3
103.07536	0.5
106.06548	0.5
109.02865	2.4
113.05986	4.9
115.03923	0.6
121.02853	4.5
123.13706	0.3
127.03896	3.3
127.07542	15.6
131.07024	8.0
139.03862	0.5
141.05426	0.5
145.04964	2.3
145.08578	100.0
146.08939	1.9
151.36647	0.3
152.07054	0.7
155.07002	0.6
159.10550	0.3
173.08066	3.1
177.05432	0.5
180.08609	0.7
185.08025	0.5
191.09120	14.8
192.09535	0.3
257.10190	1.3
275.11215	0.5
295.66602	0.3
299.11203	0.8
303.05048	2.2
317.12228	2.5
335.13269	4.5
335.39960	0.4
390.17209	0.3
652.22827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66325	1.5
69.25298	9.2
116.30485	1.6
127.91027	1.5
220.85759	1.7
415.19064	6.4
416.19882	2.1
427.19272	5.9
428.19815	2.1
429.20731	14.9
430.21518	4.4
441.20862	1.9
442.21384	3.7
443.22229	5.0
444.23007	5.4
445.19687	2.8
446.19977	2.5
456.19302	2.2
457.23865	7.2
458.24796	3.0
459.21371	3.0
460.21307	5.7
461.22638	3.3
469.19986	2.4
472.22665	2.6
474.23203	2.5
475.23502	3.9
485.23947	17.0
486.20010	3.2
500.22095	2.9
503.24075	3.5
513.22705	2.5
515.24469	12.9
531.23724	29.1
548.26019	2.5
559.23352	23.1
561.24713	5.8
577.41083	1.7
591.25952	100.0
592.26160	5.5
593.29755	2.0
621.26703	4.9
652.31134	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	652.312
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44145	4.8
69.69273	1.2
70.41938	1.3
92.58575	1.3
93.93002	1.2
118.22413	1.3
131.22528	1.5
218.53387	1.5
375.54568	1.4
400.17072	1.9
401.17404	2.1
413.17645	3.3
414.18512	2.0
415.19113	8.5
416.19998	1.8
417.21017	1.8
427.19122	4.9
428.19812	2.2
429.21005	10.1
430.21704	4.7
442.21683	2.2
443.22464	4.9
444.23224	4.1
445.19620	1.6
453.27216	1.5
457.24530	6.5
459.21588	4.1
485.23752	15.9
486.20169	4.2
500.22031	2.6
503.24216	4.1
515.24384	10.3
531.23792	30.5
532.24225	3.8
559.23206	12.6
561.24927	16.2
591.25940	100.0
592.26514	7.4
621.27039	15.2
653.31567	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	653.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13783	14.3
61.59253	13.0
70.30059	21.3
86.09695	17.6
115.03316	14.7
130.60532	14.5
137.05934	33.5
179.49525	16.0
232.75186	15.9
273.70062	15.2
368.67813	16.8
488.75821	15.9
621.19000	17.0
653.19183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.26
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
79.25655	1.6
121.96969	1.9
135.96132	1.8
161.84608	2.0
211.91577	1.6
267.00543	1.9
295.39465	1.8
405.17517	1.9
407.18860	3.8
417.16986	2.3
433.20264	5.7
434.17468	2.1
435.18298	6.8
436.18900	1.9
445.16254	4.6
447.17917	3.5
449.20093	3.0
459.17978	2.4
461.19836	8.4
463.17377	6.0
475.17661	3.3
476.19327	2.0
477.19101	2.9
478.20053	4.8
491.16885	2.2
519.19989	2.3
521.22406	2.2
547.23346	11.3
549.21442	2.5
550.21698	2.8
575.22760	8.9
578.21179	3.2
579.21472	2.4
593.24127	14.3
607.25488	7.3
609.23792	2.8
617.38293	8.8
624.26068	2.2
635.24866	34.3
635.39941	8.0
636.25659	2.6
638.23749	2.7
653.25940	100.0
653.39911	8.1
654.26477	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	653.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
71.82003	0.7
79.69537	0.6
104.04951	0.8
120.08111	0.9
146.83632	0.7
156.39209	0.7
158.09613	0.8
161.99850	0.6
196.09929	1.3
207.09003	0.9
208.09944	1.1
209.10788	2.3
210.11520	2.4
211.12257	0.9
221.10747	2.3
222.11496	1.1
223.08430	1.0
223.12265	2.9
224.12964	1.3
225.10228	1.1
225.13780	4.8
226.14668	1.2
235.08563	1.8
235.12312	1.6
237.13828	3.5
239.15280	1.0
249.10229	2.6
249.13879	1.7
250.11110	1.0
251.08186	1.3
310.12976	0.7
336.11258	1.2
337.11945	2.0
338.12766	1.3
340.14673	1.0
350.12982	1.1
352.14569	1.6
366.16019	1.8
387.15833	1.1
388.17249	0.8
391.15808	0.8
394.15549	1.5
401.17734	2.5
402.18509	1.5
403.19315	2.4
403.57019	0.8
412.17029	0.8
414.18652	1.4
415.14746	1.2
415.19507	1.6
416.20020	2.5
417.16431	1.4
417.21378	1.8
429.17044	2.5
429.21564	1.1
430.17224	1.4
430.21844	1.5
431.17624	4.3
431.23328	1.6
432.19275	1.2
443.18362	1.3
444.19305	2.1
445.20425	4.6
446.20956	4.3
447.21591	1.9
454.17493	1.8
457.16052	1.3
459.21967	5.8
460.22467	2.2
471.17978	1.3
472.18491	1.6
473.23495	2.3
474.20383	1.6
475.21219	2.6
485.23318	1.6
486.23218	2.4
487.21158	8.5
501.23297	3.4
503.20102	1.3
515.21301	2.5
516.24701	1.6
519.23706	2.3
529.22028	3.4
531.23553	1.4
532.24329	6.2
533.25598	3.8
534.22833	1.2
546.22528	0.9
547.23419	2.2
559.23291	1.0
560.23676	1.6
561.24902	94.3
562.25208	5.9
589.24384	8.9
591.26001	3.7
592.26202	20.1
614.54761	0.9
621.26953	100.0
622.27222	6.0
653.29779	6.1
671.43298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
86.95235	1.0
94.51045	1.0
100.11264	1.7
110.06979	0.9
116.20783	1.0
118.06528	1.5
124.94820	1.1
172.03935	1.1
197.10603	1.3
208.09924	1.1
209.10629	2.3
210.11513	3.2
212.13017	1.3
221.10782	2.3
222.11621	1.2
223.12271	1.9
225.13870	3.6
226.14659	1.2
235.12340	1.3
237.13809	3.4
239.15460	0.9
249.10165	2.5
276.16138	1.5
312.15207	1.1
337.11771	2.0
340.14243	1.3
343.50113	1.0
388.16644	1.2
399.17157	1.1
415.15240	2.5
417.21143	1.4
429.17020	2.9
430.17905	2.2
431.18582	3.1
433.19962	1.4
443.18951	1.6
444.19095	2.7
445.20187	2.0
446.20776	3.0
447.21857	3.5
454.17325	1.9
459.22263	5.8
471.17935	1.4
472.19077	1.4
473.23639	1.4
474.20108	1.7
475.21072	1.6
487.21399	8.3
501.22729	3.0
515.20203	2.6
519.23895	3.6
529.22186	2.7
533.25256	4.0
534.22589	1.2
547.23029	2.4
561.24878	100.0
562.25128	6.3
589.24475	8.4
621.26990	86.6
622.27820	6.9
653.29004	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	653.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70966	1.6
71.45522	1.4
89.55103	1.8
90.88699	1.5
120.08078	1.6
133.66121	1.3
207.09221	1.8
210.11403	1.5
211.12383	1.9
212.25467	1.9
221.10519	1.9
223.12265	3.3
225.13887	6.5
226.14436	1.9
237.13733	4.4
238.23715	1.7
239.15527	1.8
249.10287	2.8
249.13892	2.2
262.14786	1.9
269.12701	1.9
322.76642	1.7
352.14459	2.3
366.15884	1.7
429.16983	4.1
430.17740	2.4
431.18613	5.7
443.18903	3.5
444.19513	2.1
445.20007	4.7
446.20804	6.9
447.21548	5.6
454.17368	2.3
459.22043	9.1
460.22150	2.5
474.20416	3.2
475.21042	4.3
487.21405	17.4
488.21609	2.9
501.22986	7.5
515.20569	3.7
518.22522	2.1
519.23779	5.4
529.22119	5.6
533.25208	8.5
547.22894	2.9
561.24817	88.5
562.25317	3.9
563.15735	1.7
589.23865	6.5
621.26898	100.0
622.27100	6.2
645.90411	2.0
653.28369	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.296
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53683	0.7
71.08698	0.9
83.97642	0.7
88.76669	0.7
102.05873	0.7
102.96117	0.8
118.06559	1.1
120.08129	1.1
138.05438	0.9
140.35741	0.7
178.41003	0.8
196.09912	0.9
204.40977	0.8
208.09906	1.1
209.10706	1.7
210.11540	2.2
211.12442	0.9
212.13086	1.3
221.10750	1.3
222.11472	1.3
223.08757	1.4
223.12257	2.6
224.13037	1.5
225.13907	3.8
233.10716	0.9
234.11703	1.0
235.08664	1.1
235.12157	1.2
236.09370	1.1
237.10246	1.2
237.13914	2.7
238.14590	1.2
239.15340	0.9
247.08707	1.1
249.10214	2.3
249.13991	1.0
251.08182	0.8
251.11742	1.6
263.08099	1.0
275.15265	1.1
277.09799	1.5
312.11380	0.8
314.12674	1.2
337.12030	1.4
338.12775	1.7
351.13565	1.0
352.14545	1.8
385.15118	0.7
387.15994	1.2
388.16705	0.9
401.18015	1.6
402.18872	1.7
403.19138	1.6
415.15271	1.5
416.15964	1.2
416.20477	0.9
417.16501	2.0
417.21445	1.1
426.18277	0.9
428.45184	0.9
429.16898	3.5
430.17935	2.2
431.18616	3.1
443.19022	1.6
444.19321	1.8
445.20065	3.2
446.20990	3.1
447.21805	3.1
454.17651	1.8
457.16263	1.0
459.22198	4.6
471.17917	1.7
472.19049	1.5
473.19290	1.7
475.21332	1.6
487.21252	5.9
501.22791	2.3
503.20840	1.1
515.20856	2.6
516.61542	0.9
518.23383	1.0
519.23901	2.1
529.22375	2.5
533.25494	3.0
534.22614	2.4
547.23279	2.3
561.24915	100.0
562.25000	6.4
589.24420	9.9
593.27582	1.1
621.26996	96.3
622.27368	6.9
653.29462	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	653.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	2.0
69.17970	14.3
85.18961	2.5
89.59734	2.7
98.22753	4.8
199.91379	2.6
395.68256	2.6
403.19617	3.0
404.19925	4.8
405.20615	18.6
406.21545	2.9
417.20834	3.2
419.22247	12.4
420.22998	3.9
421.17841	2.6
433.23953	7.4
434.24356	3.5
445.19962	3.4
447.21710	4.0
449.19641	6.7
450.20651	4.0
463.21417	9.8
464.21985	4.9
465.22665	3.2
475.21582	3.0
477.22998	7.5
479.24271	31.3
487.21399	5.5
501.22647	5.0
507.27438	14.1
519.23950	3.7
533.25232	7.4
537.25098	7.8
551.26331	28.2
561.24915	9.7
565.28192	17.9
566.28766	94.0
567.29376	9.5
593.27374	11.9
621.26929	18.2
653.29492	100.0
654.29712	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	653.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65691	1.4
60.36853	1.4
71.08714	1.7
71.09045	1.4
73.26185	1.4
76.37830	1.4
84.57187	1.5
120.08131	2.7
144.16620	1.5
204.06596	2.5
209.10739	1.7
237.10339	2.4
249.10240	1.8
261.09891	1.9
293.09451	2.1
305.08899	1.8
311.13919	2.1
326.13010	2.8
328.14331	2.4
340.14536	1.9
381.14117	1.5
389.17981	1.8
403.19559	2.5
405.20807	2.0
417.16730	3.1
418.17813	2.3
420.23117	7.0
429.16934	2.2
431.18542	5.7
432.19449	3.2
433.20090	4.9
445.20370	2.4
446.21161	7.8
447.21732	5.5
448.22549	5.6
459.18091	2.2
474.20206	2.2
475.21393	4.0
487.21216	2.9
491.20462	1.9
518.22894	1.9
519.23804	2.0
533.25842	9.1
534.26190	4.2
546.22290	5.2
561.24969	40.0
562.24866	3.0
563.26886	3.3
589.24646	7.3
593.27588	30.2
621.26959	100.0
622.27374	14.3
628.48346	1.4
653.29614	40.6
654.29773	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67521	0.3
53.19737	0.3
55.05492	0.9
67.05499	1.8
68.99767	0.5
69.07052	1.6
70.04227	0.8
70.04553	0.4
79.05473	1.4
81.07039	2.2
83.01315	1.0
83.08603	1.0
91.05466	2.5
93.07035	2.5
93.76310	0.4
95.08595	1.9
96.40794	0.3
100.09308	0.3
103.05458	0.9
105.04592	0.4
105.06998	3.4
106.04152	0.5
107.08564	2.1
109.10137	5.1
111.11701	0.9
115.05402	0.3
117.07022	0.8
119.04940	0.5
119.08570	3.0
119.14620	0.3
121.06501	4.5
121.10116	2.2
123.11716	2.1
128.06207	0.6
131.04936	3.7
131.08563	1.0
133.10107	3.6
134.03610	1.4
135.11632	0.6
143.08493	0.5
145.10103	1.4
147.04401	1.1
147.11690	1.7
149.02231	0.4
149.06010	2.6
149.13257	0.6
157.10133	0.5
158.10902	0.4
159.04404	1.7
159.11664	1.3
161.05925	0.5
161.13266	0.8
162.03105	8.2
163.07492	0.5
163.14803	0.5
171.04332	0.5
171.08040	0.4
171.11714	0.5
173.13237	1.7
175.14862	0.6
175.44122	0.3
177.05455	3.5
187.14815	1.0
189.05437	0.8
189.16374	0.5
190.02594	17.0
191.02962	0.5
191.07050	1.0
193.04958	1.2
195.08006	1.1
199.03885	1.2
199.07545	0.5
201.16484	0.5
203.07071	0.5
204.04224	0.6
205.04944	100.0
206.05295	2.2
207.06523	4.6
213.05360	0.8
217.04964	1.1
219.06512	10.2
223.07539	0.5
227.07005	0.4
231.06496	1.1
233.08070	2.8
243.06558	0.6
243.21106	0.4
245.08162	1.9
246.07605	0.4
247.09709	3.3
259.09625	1.5
261.11230	1.5
269.07983	0.7
271.09637	3.1
273.11087	1.7
275.12701	0.8
283.09625	2.4
285.11111	2.4
287.12704	0.6
297.11212	1.1
299.12820	1.5
309.11301	0.4
311.12579	1.6
313.14349	2.1
323.12695	1.2
325.14240	4.5
327.15875	10.0
337.14365	0.9
339.16074	2.1
341.17648	0.8
349.14301	0.5
351.15866	2.0
353.17639	0.5
355.18985	0.7
365.17340	1.2
367.19073	0.8
379.18936	1.0
381.20325	0.6
393.20502	3.2
407.21976	1.1
449.26685	1.6
503.16672	0.8
557.20886	0.4
571.22290	0.4
583.23560	0.6
597.25140	1.8
599.33173	0.4
611.26605	0.7
653.31128	9.1
654.30975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
55.75643	0.8
65.03976	0.8
67.05494	3.1
69.03436	0.8
69.07064	3.4
71.43719	1.0
79.05489	1.9
81.07038	3.2
83.01323	0.9
83.08630	1.2
91.05487	4.0
93.07053	4.1
95.04959	1.4
95.08630	3.9
105.07024	5.9
107.08591	4.5
109.06491	0.9
109.10162	7.4
115.05441	1.6
119.08553	6.4
121.06515	5.8
121.10143	4.5
123.11729	2.4
130.28670	0.8
131.04916	5.2
131.08536	1.6
132.95903	0.7
133.10114	5.5
134.03584	0.9
135.11679	2.6
137.13225	1.1
145.10127	3.4
147.04359	2.7
147.11653	1.4
149.02232	0.8
149.05991	3.0
149.07356	0.9
151.14775	0.8
153.05466	1.1
159.04440	2.1
159.11688	3.1
161.06044	1.1
161.13217	1.7
162.03094	8.3
163.07550	1.4
163.14833	0.9
165.05444	1.8
171.04408	2.8
173.13210	3.1
175.07498	1.2
175.14838	1.5
177.05455	4.8
185.05852	1.0
187.03871	1.0
187.14752	2.6
189.05472	3.5
190.02597	16.3
191.03333	1.9
191.07047	3.0
191.29193	1.0
193.04971	1.9
195.08012	1.8
199.03883	5.8
199.07530	0.9
201.05505	1.8
201.16408	1.3
203.06963	1.4
205.04951	100.0
206.05331	2.6
207.06479	5.6
207.10284	1.0
213.05482	1.3
216.04187	1.2
217.04941	2.8
219.06520	13.6
223.07745	0.9
227.07016	1.6
228.04071	1.3
229.05118	1.6
231.06509	6.2
233.08115	2.8
243.06476	2.5
245.08066	4.1
247.09657	2.1
259.06015	3.3
259.09570	2.7
269.08121	1.4
271.09567	5.3
273.11105	1.7
277.06927	1.4
283.09720	5.1
285.11133	2.5
297.11218	2.4
299.12787	1.7
311.12546	1.2
313.14249	1.1
323.12967	1.2
325.14227	7.9
327.15936	6.5
337.14276	1.7
339.15714	1.4
341.17310	1.1
351.15698	1.2
379.18875	1.7
393.20395	1.7
411.10718	1.7
449.26889	1.1
465.15192	1.0
489.15198	1.0
517.18396	1.6
519.19592	1.0
529.18585	1.9
531.19714	2.2
541.17999	1.1
543.20099	1.7
555.20129	1.2
557.21796	1.0
569.20959	0.9
597.24518	3.5
653.30548	18.1
654.30585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96772	0.8
56.96561	1.4
60.25392	0.9
66.04308	0.8
69.23039	1.7
69.23444	3.8
69.27654	1.0
76.43056	0.9
79.05501	0.9
91.53211	0.8
130.62653	0.9
133.02835	1.3
134.67473	1.0
149.05992	1.3
149.59082	1.0
162.03242	1.2
190.02676	1.9
193.04892	2.0
205.04961	18.8
205.06807	1.4
206.05287	4.5
219.06577	2.3
247.09718	1.7
279.61035	1.0
335.19186	1.6
353.19885	5.8
357.18060	43.1
358.18372	1.6
371.20990	1.2
375.18231	5.2
392.49539	1.1
462.40027	1.1
553.31549	7.4
569.31219	3.3
635.39526	2.8
653.40582	100.0
654.40564	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	653.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.6
55.55309	0.7
57.07061	0.7
58.06595	7.4
64.68310	0.5
69.07050	1.5
69.47474	2.6
70.06566	0.7
72.08141	3.5
73.06538	2.2
81.64222	0.5
83.04977	1.3
86.09695	28.8
97.35099	0.6
100.11243	100.0
100.36725	0.7
101.06012	2.3
101.11608	0.7
134.88728	0.6
146.10681	0.8
146.11696	3.1
154.15904	3.8
168.13815	1.3
172.13226	1.5
172.39435	0.6
186.14890	1.7
200.16414	1.2
214.14560	0.9
225.15939	0.7
228.15822	4.7
285.21631	5.2
313.21484	1.0
313.24841	6.4
327.22708	0.9
341.24240	8.8
360.93198	0.7
381.27399	0.6
454.32599	2.5
463.12991	0.7
472.33859	4.2
625.45221	23.0
626.45544	2.1
653.44513	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	654.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54540	1.5
51.84258	1.4
53.03939	4.5
54.93457	1.8
55.57790	1.4
57.03428	2.0
60.52430	1.3
61.02925	2.1
68.27546	1.5
69.03421	13.5
70.03191	4.1
71.04984	18.7
73.02925	1.5
80.41403	1.3
80.98111	1.4
81.03408	12.2
81.07029	2.6
83.04987	2.6
85.02892	12.4
87.04422	1.4
89.06022	94.9
91.05431	2.8
94.04135	1.8
95.04989	2.5
97.02885	51.1
99.04435	5.2
107.04919	2.7
109.02863	13.1
111.04429	4.6
114.76122	1.4
115.03912	3.1
115.05450	3.6
119.04938	4.0
121.06448	1.5
122.03610	6.0
127.03903	20.6
128.06140	1.6
129.06982	4.6
131.04898	5.5
135.06503	7.9
137.05962	100.0
138.06316	2.2
143.04886	8.8
144.05704	1.6
145.04935	15.4
145.06444	2.3
149.05978	2.0
151.03905	2.4
151.07536	5.2
153.05406	4.0
157.06454	5.8
160.05176	18.6
161.05904	4.0
163.03842	1.9
163.07504	5.8
163.65157	1.4
165.05412	2.4
167.06979	4.2
175.03960	3.5
175.07524	98.8
177.05418	4.6
177.07516	1.3
179.05484	2.3
187.07513	34.7
189.09035	7.7
197.08012	2.1
201.09048	1.9
203.06984	1.5
205.08566	23.1
207.06520	4.9
217.08623	4.3
231.07968	1.9
235.09579	28.9
239.06993	2.1
248.08385	2.1
259.07590	2.0
261.09442	7.9
263.10577	3.4
265.08749	1.9
271.09659	5.4
278.09320	2.3
279.10229	2.8
283.09598	2.4
289.36478	1.4
291.10095	6.5
307.16364	1.9
309.10843	1.6
311.12732	4.0
323.12823	10.1
325.14224	2.5
341.10074	2.7
341.13785	13.3
412.70999	1.5
654.24261	3.0
655.21729	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	654.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.5
53.43800	0.4
66.85399	0.5
67.05499	2.8
69.07059	0.8
69.23647	2.7
73.78459	0.5
79.05481	0.7
81.07037	1.6
83.01336	0.9
83.04964	0.9
83.08591	0.5
89.03934	0.5
91.05486	1.7
93.07047	2.5
94.56593	0.5
95.04982	0.6
95.08582	2.1
96.85317	0.4
98.23522	1.0
102.81464	0.4
105.07024	1.1
107.08553	1.6
109.10146	8.3
113.25477	0.5
119.08574	0.5
121.06503	3.8
121.10120	2.1
122.03642	0.6
123.11663	1.2
131.04924	2.5
133.01889	1.0
133.02834	13.3
133.10100	0.6
135.11646	1.6
137.05975	3.0
147.04367	0.9
149.05960	4.1
159.04329	1.0
161.02255	0.6
162.03104	6.4
163.07436	0.9
165.05450	2.2
177.05396	2.8
177.16464	0.6
178.02585	1.6
190.02594	15.8
191.03145	1.3
193.04948	32.7
194.05206	0.7
199.03885	1.2
205.04939	100.0
206.05290	3.7
207.06468	2.2
213.05473	0.5
217.04919	0.8
219.06528	7.8
225.07446	1.3
231.06465	0.9
233.08072	2.7
237.07526	4.9
243.06522	0.6
245.08080	1.9
246.07669	0.5
247.09625	2.6
257.07889	0.6
259.09689	1.4
261.11212	0.8
271.09601	2.2
273.11191	1.4
277.10635	1.9
285.11029	2.5
299.12820	0.9
313.14413	0.8
325.14221	1.5
326.14508	0.5
327.15854	18.7
328.16147	1.2
339.15826	2.7
353.17126	0.7
359.18454	1.2
359.66812	0.6
395.22174	4.0
631.64716	0.6
655.38519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.5
69.07060	1.0
69.45087	1.5
69.45467	0.8
73.29870	0.7
79.05489	1.2
81.07035	1.8
83.01307	1.3
83.04946	1.6
91.05464	1.6
93.07029	2.6
95.04937	0.9
95.08588	2.2
98.22743	1.2
103.05466	0.7
105.07019	1.1
107.08593	1.8
109.10161	8.0
121.06496	5.0
121.10128	3.0
123.11709	2.7
131.04904	2.4
133.02843	17.2
133.10049	0.6
134.03633	1.3
135.11655	1.3
137.05942	2.7
149.05956	4.1
159.04362	1.4
161.02274	0.9
162.03114	6.8
165.05476	3.3
177.05391	3.4
178.02611	2.1
189.05409	1.1
190.02602	18.1
190.04340	0.9
191.03043	0.9
191.07033	0.7
193.04945	32.6
194.05225	0.7
205.04948	100.0
206.05330	3.8
207.06512	3.2
217.04988	0.7
219.06529	6.6
225.07495	1.1
231.06581	0.8
233.08023	2.8
237.07547	4.6
243.06628	0.6
243.10219	0.9
245.08142	1.4
246.07674	0.6
247.09656	2.5
259.09625	1.9
261.11160	0.8
271.09595	2.6
275.12598	1.0
277.10706	1.4
285.11197	1.4
299.12790	0.8
313.14291	0.8
325.14383	0.8
327.11990	1.4
327.15866	24.0
328.16193	1.6
339.15833	1.3
345.16843	5.2
359.18454	2.3
395.21982	1.4
500.87241	0.7
611.22717	0.8
648.78986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.2
56.25568	3.1
64.65118	2.7
67.05496	10.4
69.07057	6.1
69.69003	9.2
74.62526	2.9
79.05496	3.8
81.07082	5.1
82.07337	2.6
85.02921	4.6
91.05446	5.6
93.07040	6.4
95.08598	2.9
105.07011	4.8
107.08603	7.2
109.10145	30.3
111.04465	3.6
113.02366	21.6
119.08543	4.9
121.06472	7.1
121.10197	7.1
123.11741	3.2
128.93430	3.1
133.10124	4.7
135.11681	4.9
147.04396	3.4
149.06032	2.7
153.05478	7.8
159.04440	3.5
161.05960	3.2
162.03122	11.4
162.41559	2.8
163.07614	3.2
165.05460	3.7
175.50920	2.8
177.05434	5.9
189.05421	6.6
190.02612	19.5
191.03192	6.1
191.07121	3.9
193.04941	11.4
199.07497	3.9
203.07066	3.3
205.04953	100.0
206.05296	27.9
207.06511	9.9
211.07535	7.6
213.05475	6.8
215.07095	4.2
217.04968	5.9
219.06546	19.5
220.06952	3.7
227.06960	5.1
229.04790	3.8
231.06569	5.6
233.08009	4.7
239.06953	4.5
241.04980	4.6
241.08488	3.2
243.06483	4.7
244.07022	5.1
245.08110	6.1
255.06512	4.8
259.09595	6.4
261.11176	4.8
267.06479	9.3
269.04538	3.9
271.09650	3.7
272.06625	5.3
273.11179	8.4
283.05859	4.0
287.09198	6.1
299.09354	3.9
301.07056	13.3
314.07755	3.2
315.08575	24.7
316.09396	21.1
327.08673	3.6
327.15994	10.6
328.16342	6.8
337.07144	6.7
339.15952	5.4
341.10114	4.3
351.08633	5.7
355.11804	3.3
369.09375	6.8
369.13330	26.6
379.07898	5.1
384.15686	31.5
397.09189	21.4
401.12238	14.2
411.10516	8.0
429.11905	15.1
436.45816	3.0
437.19519	37.7
438.20355	28.8
448.25916	3.2
465.15604	3.3
506.26648	15.7
654.30688	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	654.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
54.21963	1.7
55.01863	9.8
55.05497	7.6
57.03433	41.4
59.04992	6.4
61.02921	15.9
61.84167	1.7
67.05495	8.7
69.03424	63.0
69.07066	10.9
69.47475	3.6
69.47864	4.5
71.01351	12.4
71.04994	3.9
73.02912	60.9
75.04475	4.3
78.36912	2.2
79.05499	11.4
81.03432	10.6
81.07048	14.5
83.04970	9.7
83.08612	3.7
85.02899	93.8
85.06532	5.8
86.09715	2.3
87.04456	21.4
87.87712	1.8
91.03931	2.5
91.05475	10.1
91.09373	1.8
93.07032	24.0
95.04958	15.1
95.08596	22.9
97.02244	3.3
97.02885	65.8
97.06525	7.6
99.04446	9.3
99.76591	2.2
101.05975	1.9
103.03935	14.8
105.07015	26.6
107.04974	3.8
107.08582	35.3
109.02884	7.3
109.06509	10.6
109.10136	25.2
111.04446	8.6
111.08072	2.5
113.05984	2.0
115.03918	100.0
117.07020	4.0
119.08562	42.5
121.06504	5.2
121.09257	3.8
121.10131	71.4
122.10439	1.9
123.04468	2.3
123.08054	7.1
123.11723	7.9
125.06006	8.5
127.03875	17.2
129.05472	7.1
129.06927	3.1
131.08545	11.1
133.03949	2.7
133.04953	47.9
133.06496	4.0
133.10110	48.1
135.08067	5.6
135.11653	17.8
137.06006	3.9
137.09631	4.4
139.07553	5.2
139.11191	4.4
141.05443	2.2
142.07729	3.2
143.07025	5.6
143.08562	5.6
144.09358	2.5
145.04926	15.7
145.08617	2.0
145.08842	2.4
145.10112	25.8
146.06029	3.5
147.06528	11.5
147.08076	5.1
147.11665	38.1
149.04475	3.8
149.05959	4.0
149.09663	3.9
149.13283	6.9
150.07574	4.7
151.07532	4.0
151.11226	2.6
153.05550	2.8
155.08560	3.1
156.09383	2.8
157.10075	11.5
159.07999	4.7
159.11687	17.3
161.08076	6.3
161.09634	6.3
161.13257	3.1
163.03970	9.7
163.06035	4.7
163.07442	2.9
163.11215	4.6
165.08989	2.3
165.12784	5.8
166.08597	2.6
167.07028	2.6
167.08505	2.3
169.08711	3.0
169.10127	8.4
170.10843	2.8
171.08076	3.7
171.11678	7.3
173.09612	8.0
173.13232	31.8
175.11264	2.8
175.14803	72.9
177.09134	2.9
177.16353	6.7
180.46825	2.4
181.10179	3.3
181.12212	26.3
183.11703	5.1
184.12424	2.1
185.09560	4.1
185.13260	10.3
187.09645	4.0
187.11200	6.1
187.14792	26.7
189.09164	2.1
189.12772	3.2
189.16391	5.8
191.14284	4.0
193.15880	19.1
195.10191	2.8
196.12482	2.9
197.09630	3.0
197.13234	6.0
199.11203	4.7
199.13264	36.3
199.14877	14.4
201.09045	3.5
201.12759	2.9
203.14371	2.0
205.15865	5.7
211.11156	3.1
211.14793	9.1
213.12758	2.9
213.16484	1.9
215.10767	4.5
215.14368	2.6
217.15929	7.5
223.05983	3.3
223.14751	2.4
225.16354	4.9
229.15982	9.0
233.11682	3.3
235.14828	3.0
235.16919	2.9
241.07057	6.9
241.15883	20.4
243.17365	3.3
247.13348	2.7
253.15846	24.6
259.08099	12.1
259.16873	9.7
271.16907	57.5
277.09183	11.4
289.17944	93.6
290.18204	2.6
295.10446	2.8
307.18994	93.9
325.16357	2.8
325.20041	23.5
421.22128	3.8
433.21823	4.0
451.23212	8.9
469.24292	3.5
548.10492	1.9
583.27173	5.4
633.86713	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
57.03421	1.4
61.02904	1.3
63.02366	1.2
67.05498	1.4
69.03423	5.1
69.78738	1.3
70.06581	0.9
71.04980	1.0
73.02911	1.2
73.82025	0.6
77.03917	1.1
79.05033	1.2
79.05479	19.2
80.34758	0.5
81.03397	2.9
81.07035	0.8
85.02895	11.2
87.04439	0.7
89.03905	5.0
91.05467	5.6
92.06271	0.8
95.04939	2.3
95.25948	0.6
97.02884	5.0
99.04431	2.1
103.05457	0.9
104.04958	1.0
105.04486	1.0
105.07032	0.8
106.06539	37.3
107.04948	9.1
107.06876	0.6
107.08588	1.1
109.02869	2.2
109.06493	0.7
109.10136	2.8
111.04422	2.0
115.05440	22.4
116.04965	53.5
117.03362	4.7
117.06937	0.8
118.04141	4.5
123.04406	1.5
127.03918	3.3
130.33044	0.6
131.04886	1.6
133.05145	0.7
134.03636	2.7
134.05995	22.0
135.04410	13.1
135.06776	7.8
135.07953	1.2
137.01373	0.6
137.02293	3.6
137.09599	5.0
139.03903	0.9
140.04935	7.0
142.06480	7.1
145.02849	10.6
145.04912	2.0
147.04370	1.4
152.07080	4.7
155.10654	0.7
159.04324	1.0
162.03169	2.9
162.05409	0.8
163.03879	100.0
163.07486	1.7
164.04224	1.4
165.05478	1.3
165.09100	4.2
167.08582	0.9
168.04428	19.7
178.07773	0.9
179.03365	0.8
179.08560	1.6
180.04138	4.9
181.04927	14.9
183.10172	0.8
186.05469	12.8
190.04990	1.5
192.06566	1.4
195.07930	1.1
204.08095	1.4
205.06430	2.4
207.08058	1.5
210.06842	1.4
211.07521	1.0
217.09683	0.6
223.07500	5.3
225.09102	1.7
233.05931	2.1
235.07465	0.6
236.07056	0.8
237.05411	1.0
240.10223	1.3
250.08649	5.7
251.06981	6.3
251.09195	1.7
252.07425	0.7
253.08507	1.3
268.09677	4.7
269.08102	1.9
269.53116	0.6
278.08044	9.9
279.06409	0.8
296.08923	16.1
296.18243	0.7
297.09201	0.7
297.12054	4.6
314.10162	12.6
315.10660	0.7
325.09198	1.8
326.13193	0.9
327.14285	1.7
343.10297	0.9
458.14325	2.1
471.18283	1.0
476.15448	18.1
518.16522	0.9
620.18787	1.0
638.20691	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90512	0.5
53.03929	0.7
55.01865	0.8
57.03426	1.4
61.02918	0.8
63.02352	0.8
64.94353	0.5
67.05491	0.6
69.03424	6.2
70.06594	0.5
71.01324	0.6
71.04977	1.0
73.02902	1.5
77.03925	1.1
79.05483	20.2
81.03418	3.4
81.07050	1.1
85.02895	10.8
85.06554	0.5
87.04455	0.6
89.03896	6.3
90.04726	0.6
91.03909	0.6
91.05476	5.0
91.99221	0.6
93.07036	0.6
95.04964	3.0
95.08585	0.7
97.02888	5.2
99.04426	1.5
103.05463	1.1
104.04960	1.4
105.04512	1.1
105.07005	1.2
106.06541	37.5
107.04936	10.0
107.06876	0.9
107.08563	1.7
109.02869	2.2
109.10140	2.8
111.04416	1.9
115.03838	0.6
115.05444	21.7
116.04966	58.1
117.03378	5.0
117.07011	0.7
118.04125	4.0
118.06541	0.6
118.94264	0.5
119.08559	0.8
120.08091	0.8
121.02820	0.9
122.05969	0.5
123.04404	1.8
127.03902	3.7
129.07011	0.6
130.06575	0.6
130.94122	0.5
131.04900	2.1
131.12498	0.5
132.04404	1.0
133.05156	0.6
133.06384	0.5
134.03682	2.6
134.05994	24.6
135.04408	12.5
135.06775	7.7
135.08003	2.2
136.08406	0.9
137.02312	5.1
137.05916	1.4
137.09584	5.7
139.03854	1.2
140.04932	7.7
141.07010	0.6
142.06490	7.5
145.02829	11.2
145.04828	2.9
147.04391	1.1
152.07036	4.3
158.06009	1.0
159.04401	1.6
160.07555	0.7
162.03081	2.6
162.05424	0.9
163.03882	100.0
163.07500	1.8
164.04243	2.0
164.07999	0.9
165.05418	0.8
165.09100	5.3
168.04430	19.8
169.04842	0.6
173.96373	0.5
176.07059	0.9
177.05420	0.9
177.06873	0.6
179.03239	0.5
179.08519	1.2
180.04135	5.4
181.04939	15.9
186.05479	15.3
187.07422	0.6
190.04945	1.7
192.06552	1.8
193.06467	0.6
195.08049	1.3
197.06007	0.5
201.11186	1.5
204.06419	0.5
204.08099	1.0
205.06491	1.6
207.08031	1.8
210.06689	1.1
211.07640	0.9
222.09073	1.3
223.07483	4.8
225.09113	2.6
232.07480	1.0
233.05986	1.7
236.06975	0.7
237.05437	1.5
240.10149	1.2
250.08582	6.5
250.10794	0.8
251.06973	6.8
251.09190	2.5
252.09875	0.6
253.08557	1.3
254.08203	1.3
268.09579	4.2
269.08005	2.6
276.95212	0.5
278.08078	10.3
278.10861	0.7
279.06506	1.4
296.08917	16.2
296.12091	1.0
297.12051	4.8
307.08051	0.9
309.13275	1.1
314.10193	16.8
325.09167	2.5
327.14417	1.8
343.10040	0.8
453.17184	0.6
458.14285	3.1
476.08923	0.9
476.15451	16.9
477.15585	0.8
518.16443	0.8
555.51764	0.5
620.19434	1.6
638.20740	8.1
652.23804	0.5
655.29999	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	655.2755
Annotation	Cryptophycin 327
Peak:m/z	Relative Intensity
67.05482	0.6
68.90995	0.4
68.99526	0.5
69.16824	0.6
70.15872	1.4
76.71906	0.5
80.20505	0.4
81.07038	0.5
82.27343	0.5
298.13708	0.6
351.60489	0.5
363.16040	0.6
376.16904	0.7
377.17606	0.9
378.18674	0.9
379.19156	1.8
391.15314	1.1
392.20068	0.6
393.20853	4.2
394.21347	0.8
395.22232	0.7
405.17114	1.9
406.17462	1.0
407.18311	2.7
409.20239	0.8
419.18506	3.1
420.19403	3.3
421.20383	5.9
422.20621	1.1
433.20139	2.0
434.21014	0.9
435.17804	5.5
444.19473	0.5
447.18198	1.5
448.18958	1.5
449.19427	4.2
450.20575	1.7
460.19577	0.5
461.19946	1.1
462.20538	0.8
463.17169	5.0
465.19458	0.7
473.19778	0.7
474.19809	0.5
475.21613	1.0
477.19022	1.0
478.20026	1.7
479.20264	0.9
480.21378	1.3
481.22003	1.1
490.20013	0.8
491.20941	1.5
492.21094	0.9
493.22577	1.5
495.19778	0.8
503.20569	1.7
507.24106	5.4
508.22183	0.6
509.21365	1.3
521.21722	2.5
535.23785	3.9
537.24823	0.7
545.21973	0.6
549.24493	2.0
559.23749	1.0
563.23120	0.9
567.25958	5.6
577.24042	3.2
581.23846	1.2
595.25287	9.5
596.25861	0.9
609.23602	1.0
619.25653	1.1
623.24963	0.6
627.28259	1.7
655.27496	100.0
656.27899	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	655.2755
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
93.07002	0.7
94.06551	0.6
97.00874	0.5
150.02962	0.6
188.39827	0.6
192.77467	0.6
261.96078	0.6
333.19891	0.6
375.16275	0.9
376.17041	0.8
377.17703	0.8
379.19324	0.6
389.17831	0.8
391.14694	0.7
391.19290	2.1
392.20068	1.1
393.20850	1.4
405.16608	3.0
406.17673	0.9
407.22620	4.0
418.18027	1.5
419.18259	6.7
420.19421	2.6
421.20291	2.4
432.19464	0.8
433.20471	10.3
434.20972	6.3
435.21701	6.4
446.21002	0.7
447.17468	1.5
447.22610	1.1
449.19662	1.2
461.19427	1.9
462.20166	2.9
463.21240	3.1
465.18704	1.4
475.21411	1.1
479.20801	1.0
489.23328	0.8
490.19592	0.9
491.20764	1.9
493.22604	2.0
503.20862	0.9
505.22363	0.9
507.20456	1.0
508.21085	0.8
517.22400	1.1
520.24420	1.0
521.25507	8.6
522.23682	0.8
523.26904	0.9
548.24133	1.0
549.24866	10.7
563.22906	2.1
565.24377	1.4
577.24280	6.9
580.26666	1.7
581.27399	2.0
595.25287	4.2
609.26923	1.9
623.25183	2.3
637.26532	7.4
655.27557	100.0
655.38892	7.3
656.27716	7.1
662.91943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2751
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
51.80339	1.0
55.05500	1.8
57.03445	1.8
57.07070	9.9
60.18381	0.7
61.02919	1.4
62.63356	0.8
63.31993	0.7
67.05502	2.1
67.86974	0.9
69.07059	2.2
69.38216	2.0
69.38598	2.0
71.08632	7.6
73.05476	0.8
79.05487	0.9
81.07047	3.9
83.08622	2.6
85.02895	2.4
85.10165	4.3
91.03964	2.2
95.08620	5.3
97.10188	1.5
109.10163	3.7
115.28297	0.8
120.08121	1.1
123.11680	1.7
163.06067	1.0
204.67181	0.9
209.31586	0.8
219.19193	0.7
233.27740	0.9
239.23640	7.1
257.24808	1.1
269.82471	0.8
311.14053	1.4
313.27356	25.0
313.30896	1.6
331.28470	4.0
381.03992	0.9
395.18484	1.4
403.15271	1.1
409.20236	2.4
417.17126	2.5
418.17874	2.4
419.18747	2.7
431.18619	1.4
432.19443	3.0
433.20309	3.9
445.20425	1.6
446.21317	3.0
447.22638	4.9
460.18942	1.2
461.18912	1.9
462.20480	2.8
463.21280	1.2
465.18600	1.0
474.20819	1.8
475.21625	9.1
476.22751	1.1
489.23120	11.5
490.23608	1.3
491.20935	3.6
501.19302	1.4
502.20203	1.6
503.20920	2.5
505.22400	3.6
506.23157	1.3
507.23672	0.9
515.74792	0.9
517.22162	3.6
518.23175	1.1
520.22430	1.1
521.25116	2.8
533.21442	3.3
534.22601	3.9
545.21973	0.9
548.24384	7.3
549.24872	6.8
553.23987	0.9
559.23077	1.5
561.21930	1.5
562.22131	11.4
565.13812	0.9
577.24396	100.0
578.24463	6.0
590.21875	2.2
590.56384	1.0
595.25256	1.3
605.24084	6.8
609.27686	1.0
623.25385	2.4
637.26495	28.9
638.26593	2.3
655.27545	41.7
655.39032	4.7
656.27643	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	655.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10826	0.2
59.67834	0.2
69.18204	1.2
70.14970	0.2
74.20937	0.2
75.04475	0.5
117.08666	0.2
126.78439	0.2
165.31914	0.3
237.13933	0.2
279.96527	0.2
376.16672	0.3
377.17725	0.5
390.18323	0.3
391.19391	1.1
392.19852	0.5
393.20438	0.3
404.19815	0.3
405.16205	1.4
405.21011	0.9
406.17401	0.5
406.21747	0.7
407.22391	3.9
408.22974	0.6
418.17657	0.6
419.18094	3.1
419.23273	0.4
420.18832	1.7
421.19757	1.2
431.18356	0.3
432.19547	0.4
433.20514	4.6
433.24820	0.3
434.21048	4.9
435.15747	0.5
435.21750	9.4
436.22531	0.9
446.21130	0.4
447.17691	1.4
447.22040	1.7
448.18613	0.9
448.23022	0.7
449.18927	1.9
451.20810	0.2
459.21765	0.4
461.19519	1.2
461.23825	0.8
462.20316	4.6
463.20999	4.0
464.22073	0.4
465.18820	0.3
475.21301	1.8
476.21915	1.1
477.22781	1.5
478.24194	0.5
479.20367	0.6
479.24802	0.6
481.26160	0.4
482.26764	0.3
489.23010	1.0
490.23581	0.4
491.20670	0.2
491.24091	0.2
493.21243	1.0
493.27151	0.3
494.23077	0.4
495.23709	1.2
501.22525	0.5
505.22229	0.4
506.22571	0.4
507.20541	0.7
507.24170	0.7
508.24808	2.0
509.25513	1.9
517.22424	0.6
519.23962	0.3
520.24835	0.4
521.25580	11.7
522.26111	0.5
535.26532	0.8
540.27563	0.3
547.27112	0.5
549.24872	19.9
550.25189	1.3
553.23804	1.3
563.26813	2.7
564.27026	0.8
565.27417	0.3
567.26404	0.3
577.24463	1.1
580.25781	0.3
581.27545	3.4
594.27502	0.4
595.29285	9.4
596.28754	0.7
607.29059	0.6
609.26953	11.5
610.27374	0.7
613.26569	0.4
623.28558	1.6
627.28918	0.3
655.31049	100.0
656.31458	7.9
656.42297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27071	0.7
55.05503	5.4
57.03432	5.9
57.07065	44.0
61.02913	9.8
67.05491	9.9
68.45866	0.8
69.03404	1.9
69.07051	7.3
71.08620	29.9
71.45300	0.8
73.02903	3.2
75.04469	1.9
79.05476	0.9
81.07042	17.0
83.08607	11.9
85.02902	10.9
85.06482	0.8
85.10168	18.5
86.80357	0.7
89.06014	1.5
91.03941	9.7
93.07040	1.0
95.08591	22.8
95.09204	1.2
97.02856	4.2
97.10143	5.3
99.11736	1.4
101.00590	0.7
109.10145	10.6
111.11698	1.3
121.10090	0.9
123.11697	5.0
125.13271	1.7
127.03922	3.2
132.23671	0.7
137.13219	2.0
145.04961	4.2
151.14789	0.9
163.05983	5.9
183.81438	0.9
201.07571	0.8
213.53967	0.9
221.22652	1.6
239.23654	29.4
257.24738	4.5
293.12573	0.8
313.27304	100.0
314.27686	3.2
331.28360	13.2
377.23309	0.9
447.21811	1.0
475.32599	2.3
489.22910	2.0
549.25323	1.1
562.21497	1.5
563.22235	0.9
577.24365	12.6
578.24207	1.2
595.24841	1.5
605.23639	2.6
623.24799	1.5
637.26611	4.7
637.36194	0.8
655.27173	7.7
655.39423	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	655.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15909	0.6
53.22726	0.6
55.05451	4.0
55.16500	0.5
57.03378	4.0
57.07014	36.4
58.56325	0.5
61.02863	12.8
67.05495	10.4
67.05820	0.7
68.88121	0.5
69.03373	1.9
69.03724	0.6
69.07059	7.3
71.08623	30.5
71.08978	1.9
73.02908	4.6
73.33699	0.6
75.04412	2.4
81.03391	1.1
81.07043	15.1
83.08601	10.0
85.02894	14.3
85.10168	16.5
89.05969	0.7
91.03941	12.4
91.05437	0.6
93.06969	0.8
95.08593	21.0
97.02868	5.8
97.10167	7.1
98.23454	1.0
99.04400	0.9
99.11669	1.5
103.07561	0.9
109.02779	0.7
109.10143	12.0
111.11638	1.8
123.11703	4.9
125.13205	1.3
127.03894	4.1
128.56598	0.6
137.13165	1.6
139.14767	0.7
139.49913	0.5
145.03969	0.7
145.04926	7.2
163.06003	9.3
165.16330	0.8
198.02190	0.6
220.64034	0.6
221.22551	2.0
229.27264	0.6
239.12001	0.6
239.23651	32.1
257.24713	4.9
278.78821	0.6
293.12869	1.4
299.13901	0.7
309.69672	0.6
311.13815	1.8
313.27307	100.0
314.27560	3.4
331.28378	15.7
332.28458	0.7
380.70499	0.7
418.17688	0.7
419.18436	1.4
433.20297	2.1
434.21057	1.7
435.21661	1.7
447.17688	0.8
461.19116	0.7
462.20032	1.2
463.21469	0.7
475.32877	0.7
521.25342	2.1
549.24786	2.7
577.23981	2.9
595.25439	1.6
609.27197	1.0
619.25043	0.7
623.24988	1.0
637.26483	4.5
655.27582	29.8
655.39191	3.0
656.27753	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
67.92772	0.6
71.44389	0.6
77.46954	0.5
92.02838	0.5
94.93005	7.8
98.97586	0.6
132.47058	0.6
136.93953	1.1
202.89098	0.8
206.88582	2.2
212.85150	0.7
219.37703	0.8
246.20467	0.6
248.02371	0.9
248.89615	7.4
248.91847	0.8
266.03522	0.8
280.00693	0.6
290.03131	1.1
308.04666	0.9
346.87497	1.8
446.02182	0.7
524.11456	1.3
656.15735	100.0
657.15771	7.2
683.89038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
54.78650	0.5
55.01848	1.0
55.05511	1.4
57.03425	1.4
60.60390	0.5
67.05496	17.9
69.03419	8.7
69.30004	2.6
70.06583	1.3
71.04990	2.0
73.02906	0.9
78.92377	0.5
79.05472	2.8
81.03409	23.7
81.07042	9.2
83.01348	0.5
83.04959	1.0
85.02896	5.4
91.05461	1.7
93.07029	3.2
95.04973	3.9
95.08598	5.9
97.02892	5.0
98.22726	1.4
99.04442	3.4
99.08073	0.6
103.05501	0.5
105.07026	0.9
107.04886	0.7
107.08585	2.7
109.02081	0.7
109.02864	21.1
109.06493	2.3
109.10140	41.2
111.04455	1.4
115.03904	3.0
116.04985	0.7
119.08557	3.0
121.02885	1.0
121.10142	1.2
123.04413	0.6
125.02312	0.6
125.05988	1.2
127.03899	20.5
131.04927	0.5
135.08018	1.3
137.09595	100.0
138.09961	1.3
145.04903	0.7
147.04366	0.7
147.07970	0.6
155.10652	6.5
160.43005	0.5
161.05888	0.6
163.03889	0.9
163.07430	0.7
165.09094	67.0
166.09416	1.0
175.07582	0.5
177.05400	0.8
183.10132	6.0
189.05424	0.5
201.11221	8.5
217.04927	0.9
219.10146	0.8
219.12067	0.6
225.11151	1.0
235.05933	0.9
243.12119	0.6
245.11678	0.7
246.69212	0.6
253.07057	0.8
281.13855	0.8
291.12262	3.3
297.13336	1.6
309.13306	13.9
313.08383	0.5
327.14349	18.7
345.15356	1.3
351.14313	0.6
369.15411	3.2
387.16489	1.2
417.15228	1.1
435.16437	4.3
441.17188	1.1
442.83716	0.5
453.17480	13.5
459.18549	0.7
461.65988	0.6
471.18625	13.8
489.19785	4.1
580.69855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69460	0.4
53.03944	3.0
55.01860	1.2
55.05509	1.7
55.70634	0.5
57.03424	1.6
61.02928	0.7
65.03938	0.7
67.05492	16.0
67.05859	0.9
69.03419	7.5
69.07055	0.7
69.50990	0.6
69.51701	1.8
70.06574	0.6
71.04981	2.5
79.05489	2.2
81.03404	21.7
81.07044	11.0
81.99692	0.5
83.04976	1.1
85.02889	6.3
87.60344	0.5
91.05469	1.5
93.07027	3.4
95.04975	3.9
95.08597	5.7
97.02866	6.3
99.04449	4.2
102.49702	0.5
105.07015	0.8
107.07924	0.5
107.08572	2.8
109.02862	19.3
109.06528	1.5
109.10136	49.6
110.10468	1.2
110.14635	0.6
111.04430	0.8
115.02728	0.5
115.03905	2.1
117.94630	0.5
119.08560	3.5
121.02883	0.7
121.10151	1.0
123.50478	0.5
125.02299	0.9
125.05964	1.8
125.06844	0.6
127.03893	16.6
135.08041	1.3
137.09590	100.0
138.09941	2.8
139.38524	0.5
140.12915	0.5
145.04941	1.1
151.03893	0.7
154.22470	0.5
155.10657	6.0
163.03845	1.9
163.07498	0.6
165.09087	91.8
166.09427	1.6
183.10147	6.4
193.04916	0.6
201.11174	11.5
201.12964	0.9
225.11177	1.5
235.05905	1.0
243.12256	0.7
263.12640	0.5
288.78329	0.5
291.12241	5.1
297.10797	0.5
297.13367	5.9
309.13263	34.2
310.13522	1.5
315.14163	1.8
318.51154	0.6
327.14346	22.8
345.15369	2.8
369.15424	3.2
387.16226	0.7
417.14828	0.8
435.16266	3.0
441.17307	1.8
453.11746	0.9
453.17563	10.9
471.18561	11.4
489.19864	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89883	0.3
55.02654	0.4
70.44919	0.3
70.76151	0.3
73.37996	0.3
73.82046	0.3
91.05464	1.0
93.07018	0.4
95.04974	0.7
102.04699	0.3
103.05458	2.2
105.07027	1.1
107.04965	0.7
111.30322	0.3
115.05455	0.4
118.04140	1.1
121.06472	0.9
123.04417	0.5
130.04149	0.8
131.04915	2.6
132.05692	1.6
133.02850	0.6
133.06517	0.6
135.04373	0.4
137.05956	2.2
140.04645	1.6
146.03568	1.7
147.04417	1.1
148.05154	0.5
149.05957	0.6
151.03917	1.0
151.07576	0.5
153.01790	3.1
153.05396	0.6
154.06180	0.5
160.05222	0.9
161.05945	1.7
162.03096	0.6
163.03868	0.5
163.07553	0.5
165.09125	0.8
166.06258	0.4
167.07033	1.8
173.05997	0.6
175.07590	0.8
176.04694	1.5
177.05457	1.9
178.06253	2.7
181.05038	0.3
189.09082	0.5
191.07008	3.6
192.07835	1.6
193.04863	0.4
203.03412	2.7
207.02904	1.1
208.03285	0.7
213.05486	0.5
229.04861	2.5
241.04945	0.4
242.05713	6.5
253.04860	1.7
256.57730	0.3
257.04413	43.1
258.05148	9.8
269.04468	1.0
270.05206	3.3
271.05875	1.7
272.06497	0.4
285.03940	3.8
286.04675	21.9
287.05435	15.8
288.05746	0.4
297.03949	3.2
299.05426	1.1
300.06107	0.8
327.04883	1.7
331.15268	0.4
332.15933	0.5
333.15796	0.4
341.06656	2.5
360.10074	0.4
403.08563	0.5
416.09055	0.4
419.07608	0.9
433.09464	0.5
444.08466	0.4
445.09149	0.9
447.07077	1.2
462.09451	1.3
465.11807	3.8
477.11795	14.0
478.12021	0.9
495.12796	100.0
496.13120	4.8
657.19153	1.2
657.35620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20943	0.4
70.33926	0.5
77.28928	0.5
95.08575	0.6
122.69376	0.5
137.06006	0.9
152.97044	0.5
153.55727	0.6
185.04160	0.7
299.07327	24.0
339.09958	0.9
372.25381	0.5
381.13013	33.7
382.13644	1.5
596.03778	0.7
613.22589	3.0
657.21442	100.0
658.21490	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	657.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29646	1.9
57.00423	1.8
57.82781	1.7
61.70036	1.6
65.78833	2.1
69.15597	10.9
113.30638	2.0
310.09888	2.3
353.94421	2.2
391.19208	4.8
407.22125	2.9
408.19089	2.2
409.20142	3.6
413.72064	2.8
421.19931	4.3
422.21188	4.6
423.21805	14.1
435.21823	6.9
436.22479	3.0
437.23535	2.9
449.23334	3.4
451.21246	4.5
454.20029	2.8
461.23083	5.3
463.21350	4.4
465.23074	4.4
467.24051	2.2
468.24768	2.7
477.23004	4.8
479.24561	5.5
493.21780	3.7
494.26093	3.5
495.24051	7.9
496.24585	2.9
508.24597	11.1
509.25464	8.5
510.25867	8.5
511.26996	9.9
521.25092	6.8
523.22955	2.7
525.28894	2.7
537.24805	20.0
538.25671	12.0
553.28296	9.4
565.23792	3.3
566.25226	2.6
570.27985	3.9
581.27405	21.3
582.26685	4.2
583.25079	4.5
597.27057	54.9
598.27386	7.8
613.30078	72.0
614.30109	6.7
625.26459	100.0
626.26331	7.5
657.28809	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	657.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84319	1.5
67.69329	1.3
69.34801	1.3
69.60531	3.7
93.19175	1.5
98.23540	1.5
150.78679	1.4
158.09624	1.5
191.43141	1.4
221.10741	1.8
223.12376	1.9
233.10713	1.6
235.12370	1.4
249.13992	2.0
261.13962	1.6
286.13266	2.2
288.15872	1.7
297.12555	1.6
314.16452	1.9
318.15967	1.9
324.14758	1.6
338.16455	2.5
350.16251	2.4
352.18362	1.5
363.16360	1.7
364.17868	1.9
365.17709	3.7
366.19196	2.3
375.16644	1.8
377.17798	3.7
378.18896	2.0
379.19211	5.6
391.19287	6.0
392.16190	1.9
392.20547	2.6
393.16684	2.8
393.21115	2.9
394.17542	2.5
405.20947	3.4
406.22134	1.9
407.18555	6.1
408.19501	5.6
409.20126	4.4
417.17111	1.7
418.17603	1.7
419.18463	3.5
420.19824	2.0
421.19620	8.2
422.20706	4.8
423.21759	17.8
424.21933	1.9
434.20819	2.5
435.22284	8.0
436.22418	5.4
437.23480	3.2
446.13199	1.8
446.20801	2.9
451.21338	5.3
454.20224	2.6
461.23260	6.1
462.20901	3.5
463.21085	3.2
464.22006	2.7
465.22659	4.6
466.21609	1.8
467.24902	3.0
468.24896	4.3
477.22763	5.2
478.23465	3.3
479.24228	4.5
480.21597	1.9
481.22281	1.8
491.20340	1.9
493.21445	7.2
494.27106	7.4
495.23651	9.0
496.24350	5.7
497.25464	1.9
507.23856	2.8
508.24725	11.9
509.25699	11.0
510.26242	9.2
511.27280	12.5
516.24774	1.8
519.23950	2.0
521.25024	4.6
523.23505	4.3
524.23572	1.7
525.28705	2.4
526.29041	1.9
531.05603	1.6
537.25140	17.0
538.25671	11.5
551.22736	3.3
553.28345	11.5
555.25885	3.8
565.24200	4.5
570.28009	5.4
581.27509	27.8
582.27148	4.6
583.25378	6.6
596.27759	1.9
597.27051	57.5
598.27783	11.4
607.25739	2.1
613.30109	84.5
614.30487	7.7
625.26434	100.0
626.26599	9.6
657.28699	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	657.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
59.74435	0.3
64.97613	0.3
67.05485	0.7
68.99791	0.8
69.07039	0.4
73.77969	0.3
79.05470	1.3
81.07044	2.0
81.33593	0.3
83.01330	1.2
91.05463	2.6
93.07040	4.1
95.04930	0.9
95.08585	1.9
98.23529	0.7
103.05424	0.6
105.07014	1.2
106.04135	0.3
107.08564	1.0
109.06488	0.8
109.10130	0.8
115.05413	0.5
117.06982	0.4
119.04914	0.5
121.06482	4.1
121.10134	0.3
123.08044	5.4
123.11687	0.9
128.06230	0.4
129.06935	0.5
131.04910	3.7
133.02780	0.5
134.03595	0.9
135.08012	2.1
143.55566	0.3
145.06447	0.6
147.04378	1.3
147.08031	0.3
149.05933	2.9
157.06506	0.5
159.04431	1.9
161.05890	0.9
162.03101	7.5
163.03809	0.5
163.07507	0.7
165.05469	1.6
167.07050	1.0
171.04341	0.4
173.05972	0.5
175.07536	1.1
177.05414	2.4
179.07033	0.6
181.04967	0.4
181.08556	0.4
185.02390	0.4
185.05981	0.5
188.04608	0.5
189.05440	1.8
190.02582	15.4
191.03136	0.6
191.07007	1.0
193.04919	2.9
195.08041	0.7
199.03867	1.2
203.03351	1.3
203.07037	0.9
204.04124	0.7
205.04932	100.0
206.05324	2.7
207.06487	6.2
207.10126	2.5
213.05382	1.6
213.08986	0.6
217.04906	1.1
217.08612	0.8
219.03085	0.7
219.06490	12.7
220.06894	0.4
221.11531	0.4
228.04045	0.9
229.04875	0.5
229.08594	0.3
231.06538	1.7
233.08031	2.9
235.05933	0.9
243.06470	7.5
244.06918	0.4
245.08058	7.2
245.11774	0.4
247.05988	2.0
247.09627	1.1
259.06012	0.5
259.09644	1.1
261.11172	0.9
271.09595	1.7
273.11102	1.4
277.07147	0.5
283.09555	1.5
285.11130	3.3
287.12921	0.5
297.11163	0.6
299.12677	4.8
309.11209	3.2
325.10715	3.5
327.12253	23.3
327.15851	2.7
328.12454	0.8
329.17316	4.8
339.15808	0.4
353.17377	0.7
397.09177	0.5
505.22305	0.5
515.20197	1.5
521.21466	0.7
533.21600	12.5
534.21881	1.0
547.23254	0.9
639.32550	0.7
657.34161	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	658.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53810	3.0
55.05496	18.5
57.03425	14.6
61.02921	4.1
64.42239	3.0
67.05494	100.0
67.39882	3.9
69.07046	7.9
77.55307	3.2
79.05482	41.4
81.07050	40.3
83.08616	9.6
85.02901	8.0
89.06046	4.7
91.05457	16.4
93.07034	42.1
95.08583	25.9
98.22585	7.7
99.08137	3.9
105.04519	3.7
105.07014	8.7
106.10036	3.1
107.08595	17.7
109.10133	69.7
111.08066	5.4
114.52003	3.1
117.07030	3.8
119.08555	10.0
120.33948	3.2
121.10096	20.9
123.11700	4.0
125.09586	3.2
131.08560	9.1
133.10138	9.1
135.11676	16.8
137.09662	6.0
145.10129	5.1
147.11639	4.3
149.13194	6.1
155.10646	5.3
159.11740	6.1
173.11742	21.9
173.13147	5.9
215.18004	21.3
227.12807	4.4
229.14304	86.9
233.19029	20.6
298.31573	3.5
302.31839	3.5
307.22583	87.8
308.23230	3.7
331.82190	4.0
461.32458	57.4
658.21704	7.0
659.23810	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	658.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.05504	4.8
57.03431	7.9
57.07064	3.6
61.02919	2.4
61.23732	0.6
65.03949	0.7
67.05498	17.6
68.16261	0.6
69.07059	4.3
69.11487	2.4
69.11910	2.0
71.04994	1.4
71.08618	3.2
73.02882	1.1
79.05486	19.6
81.03435	0.7
81.07045	100.0
82.07384	0.8
83.04968	0.7
83.08636	1.3
83.77827	0.7
85.02912	1.9
85.06534	0.6
85.10163	1.5
87.04477	0.7
89.06013	6.2
91.03936	1.2
91.05467	6.0
93.07034	14.3
95.04958	1.6
95.08594	13.6
97.02874	1.3
97.06537	1.2
97.10165	1.0
99.08063	5.5
103.03933	0.6
105.07013	3.6
107.08587	7.1
109.06505	1.6
109.10134	6.3
117.06996	1.8
119.08567	3.7
121.10123	6.0
123.11713	1.4
127.07538	9.3
131.08598	2.7
133.08603	3.9
133.10133	2.7
135.11707	4.7
137.13245	0.9
143.07010	0.8
145.08575	6.9
145.10106	2.1
147.11687	2.1
149.13243	3.9
153.54761	0.6
159.11668	2.1
161.13254	2.0
163.14815	1.7
163.87923	0.6
164.92175	0.6
173.13254	2.0
175.14876	1.0
177.11148	0.8
199.09688	2.4
201.11189	50.1
202.11551	0.7
229.14444	0.8
243.21111	2.7
261.22086	11.3
317.24814	1.7
335.25766	41.1
336.26093	1.1
351.26636	0.8
369.27582	1.5
461.32504	14.0
479.33356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.6
57.07068	48.4
67.05492	2.6
69.07056	7.1
69.84409	1.6
71.08623	46.9
73.06541	5.1
79.05489	2.7
81.07047	5.2
83.08607	4.0
85.10179	30.8
87.04451	10.6
89.06020	100.0
97.10168	3.8
99.11718	7.6
107.07064	2.1
108.72038	2.0
111.11688	3.8
113.13290	5.0
117.09115	9.8
127.14856	4.2
131.07018	2.6
133.08589	68.3
158.17441	1.6
161.11716	3.4
175.09589	2.9
177.11198	28.5
178.88541	1.7
183.21086	2.6
190.02597	5.0
191.03372	3.6
196.80591	1.8
205.04924	27.0
206.05280	3.0
219.06473	2.6
221.13815	7.1
225.87006	1.9
231.06688	1.8
233.08043	5.4
246.39598	1.7
247.09543	4.5
249.66139	1.6
271.26352	4.6
283.17538	3.5
313.14252	9.8
315.29004	5.2
329.17337	2.9
371.22638	1.9
459.28043	5.6
512.32391	1.8
517.38672	4.4
538.70001	1.8
641.48273	9.3
658.51141	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	659.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94638	0.5
68.98296	0.5
71.19936	0.6
82.99853	0.8
83.61910	0.5
86.99306	0.6
88.74778	0.5
97.02906	0.6
101.00860	3.5
103.02460	0.5
105.00318	0.7
105.21442	0.4
113.00863	1.6
115.02386	0.9
116.98646	0.6
119.01904	8.1
127.02409	0.9
129.00243	0.5
131.01880	4.4
133.03482	0.7
137.00887	0.6
137.02979	0.6
139.02382	1.1
140.32457	0.5
142.73137	0.5
143.01880	9.5
145.03441	8.6
149.02925	0.5
153.03958	0.8
155.01862	9.1
155.03015	0.8
156.02718	0.6
157.03436	4.2
161.02921	8.8
163.04454	0.7
167.01854	2.6
169.03416	2.9
171.04982	4.0
173.02933	21.5
174.03134	0.8
175.04466	2.3
179.01906	1.4
181.03502	2.5
183.01358	0.5
183.05051	1.0
185.02930	11.8
187.04514	3.1
191.03969	3.7
197.02921	10.1
199.04492	4.1
201.02478	0.6
203.03961	7.1
205.03427	0.8
209.02924	2.3
211.04480	3.8
213.06020	0.6
215.01900	0.9
215.03967	14.7
216.04097	1.0
217.05542	1.0
221.03004	1.0
221.05020	10.8
223.04488	3.3
227.03946	6.0
229.05537	2.9
233.02898	2.4
233.05074	1.6
239.03976	6.0
241.05563	3.9
245.05023	16.4
246.05049	0.5
251.03973	8.0
257.05020	5.0
259.06662	0.9
260.00296	0.5
263.06140	1.3
265.13794	0.4
269.05002	1.6
271.06573	12.0
272.06952	0.8
275.06049	1.5
281.05017	1.7
289.07654	7.0
299.06076	22.1
300.06393	0.9
305.07150	1.4
317.07114	100.0
318.07288	4.6
325.05750	0.5
335.08185	32.3
336.08334	1.5
353.09286	0.5
358.09818	1.6
359.08249	0.7
365.09171	1.2
377.09222	14.1
378.09525	0.5
407.10260	4.5
408.10556	0.5
437.11267	11.1
479.12262	2.2
497.13483	6.6
498.13757	0.6
539.14124	1.2
642.01459	0.6
659.08563	0.6
659.18329	8.4
660.17383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2343
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
61.96090	0.8
67.05487	1.1
70.20365	0.8
70.52554	0.8
92.09805	0.7
98.23415	2.4
133.28232	0.7
155.77780	0.8
385.12622	1.3
399.14682	1.9
400.15195	4.0
401.15732	1.7
408.11914	1.0
409.12671	1.1
410.14261	1.0
412.15146	1.8
413.15924	2.1
414.16534	3.5
421.13010	2.0
422.13745	5.5
423.14478	3.9
424.15747	1.5
426.16528	1.4
427.17575	1.3
428.18326	1.5
429.18835	3.5
435.14590	3.7
436.15454	6.0
437.11069	0.9
437.16199	12.0
438.16739	3.2
441.15552	2.7
443.16791	1.0
449.16333	1.7
450.17596	3.6
451.18201	4.7
452.18161	3.2
456.17337	2.2
457.17902	1.3
463.13538	1.9
464.15067	2.6
465.15170	3.3
466.16357	2.5
467.17072	2.6
469.15030	1.5
470.15784	1.2
477.15234	1.7
478.16357	3.4
479.17505	4.4
480.17963	7.3
481.14325	1.0
481.19034	1.3
482.15161	1.2
483.16373	4.0
484.17056	3.6
493.18997	8.6
494.14862	1.7
494.19821	1.1
495.16492	6.4
496.16855	1.4
498.15002	1.2
506.15891	1.2
507.16312	2.7
508.17389	7.1
509.18338	6.2
511.19019	2.7
512.16272	9.4
516.23438	1.4
521.18207	10.4
522.14496	4.2
524.16760	1.0
525.20898	1.1
539.18915	3.1
540.19873	4.9
541.19257	1.1
543.21973	2.3
549.17853	0.9
553.20801	14.8
554.20673	1.0
571.21436	2.9
572.21893	5.3
581.20264	47.1
582.20490	4.9
599.21021	25.2
600.21533	8.7
613.22827	18.1
614.22742	1.9
622.22742	2.8
627.20587	1.8
631.24249	3.9
641.22369	100.0
642.22693	10.1
659.23376	25.7
660.22772	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05617	1.4
66.62742	1.5
79.72549	2.2
81.07023	2.4
95.08624	1.8
117.81226	1.4
185.54153	1.7
192.24121	1.8
197.43291	1.5
205.04974	9.7
219.97925	1.4
227.20111	6.9
262.02432	3.8
272.85184	1.5
290.83661	1.5
311.09137	3.1
340.76627	1.5
341.20609	100.0
367.08792	2.2
367.12885	9.0
471.09222	1.7
535.19391	2.5
659.26117	52.9
659.42822	3.8
660.26593	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	659.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.75626	1.5
78.60744	1.3
79.05495	1.3
79.09365	1.1
80.05008	1.2
82.06598	1.5
89.03899	1.6
91.05460	2.5
93.05792	1.4
93.07037	3.0
94.06550	6.7
95.04958	2.1
95.07342	3.5
96.08129	9.5
98.22616	2.8
106.06535	2.2
108.04469	3.1
108.08083	9.8
110.09648	11.8
116.04965	3.9
120.04449	2.9
120.08095	9.0
122.06005	6.5
123.04427	2.0
124.07577	10.1
134.05983	3.9
136.07578	9.2
137.05981	5.5
138.09131	15.0
144.04375	6.7
145.08755	1.4
146.05952	6.4
147.04329	1.5
148.07559	4.0
151.03979	1.7
152.07057	1.9
160.03976	2.9
160.07622	1.8
162.05507	4.8
163.03877	2.5
163.07538	1.4
164.06976	2.2
166.08624	15.3
167.07109	1.7
170.09651	1.7
172.03908	29.4
174.05524	1.7
176.07050	4.6
181.04825	1.2
190.04967	20.8
197.07021	1.3
198.07767	2.1
199.08623	2.6
201.87006	1.4
204.06537	50.5
213.10226	5.0
215.11812	3.3
223.08652	1.4
224.09401	1.6
225.10167	3.4
226.08723	1.4
227.11890	2.3
229.09854	1.2
237.10124	3.3
238.11058	2.3
241.09671	4.1
243.11261	17.9
243.87439	1.4
251.11865	1.5
252.08920	1.2
253.09616	2.1
255.11313	2.0
257.12820	2.8
263.08093	1.6
264.08939	4.6
265.09631	2.7
267.11243	2.6
269.09134	3.5
271.10788	3.1
273.12274	7.2
278.63516	1.4
279.11331	3.4
281.12808	1.3
283.10760	6.0
285.12344	18.7
286.12540	1.3
287.10199	10.8
297.12341	12.9
299.13834	4.0
301.11957	2.1
302.12842	2.8
303.13361	32.3
304.14182	1.5
307.10605	2.5
316.10767	2.3
317.15146	1.6
323.10226	8.5
325.11768	27.9
326.12521	1.9
327.13443	4.3
328.14215	2.3
330.12411	3.6
337.11969	1.6
343.12875	6.3
344.13852	3.9
345.14755	1.6
346.15436	4.4
357.14365	9.1
358.11597	1.7
358.15540	6.5
370.11612	2.7
371.12589	4.3
372.13275	4.3
373.14178	1.6
374.14902	3.4
383.13135	1.3
385.14297	3.7
386.14905	13.3
387.15839	5.6
390.18152	1.8
392.15988	2.1
394.17892	1.4
400.16772	2.5
402.18713	2.3
404.15915	10.4
406.17679	3.3
410.14880	2.6
414.14453	14.0
415.15222	29.4
416.15689	1.9
418.17410	3.7
420.15460	4.9
428.15881	1.9
430.17627	3.7
432.15482	19.3
438.16272	3.4
444.15601	2.7
446.16916	5.0
456.15686	5.9
462.16635	18.4
464.18118	2.8
474.16553	50.9
475.16965	1.7
476.18317	1.8
494.18881	2.4
506.19202	9.6
581.23621	4.5
583.25281	4.4
585.23462	8.9
599.24963	3.9
609.23206	10.2
627.24390	100.0
628.24518	8.5
659.22253	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66050	2.8
57.07066	3.7
58.06580	5.2
70.06584	17.2
70.59946	4.9
80.81333	2.8
81.74875	2.6
81.96571	2.9
88.07616	17.0
89.07932	3.4
91.25763	3.7
102.09157	16.4
104.10743	3.0
123.26550	2.8
149.02321	34.0
150.02672	4.4
193.04932	33.9
194.05264	11.5
205.04904	9.5
237.07596	8.3
256.26340	24.8
257.26666	22.0
341.06506	7.1
342.06680	6.1
359.07651	6.3
367.15088	97.0
385.08899	8.8
386.09360	8.8
399.12732	6.0
399.17725	83.9
400.18082	5.3
429.11771	13.7
430.11896	14.9
585.59210	4.3
591.21454	8.8
658.34784	6.7
659.27655	100.0
659.36383	56.6
660.27734	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	659.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40423	0.5
69.62408	0.8
73.93367	0.5
92.27585	0.6
93.36555	0.4
98.22738	1.1
99.79063	0.5
109.94510	0.5
119.04524	0.5
153.05807	0.4
202.50052	0.5
205.04857	0.6
246.04883	1.0
322.73566	0.5
349.14056	4.6
367.15106	100.0
368.15430	4.5
378.57144	0.6
534.43292	0.5
591.21936	1.9
659.28174	61.9
660.28284	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	660.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05502	5.7
57.03426	4.3
61.02909	2.6
67.05498	27.2
69.07053	9.7
71.04995	1.4
79.05482	16.7
81.03404	2.0
81.07047	36.5
83.04984	2.6
83.08601	6.0
85.02910	2.2
91.03938	0.9
91.05463	11.7
93.07031	23.8
95.04939	3.7
95.08591	9.8
97.02900	1.1
97.06537	4.3
105.04469	1.0
105.07033	5.8
107.08576	15.0
109.06496	1.3
109.10178	1.6
111.08076	2.8
117.07008	5.3
119.08566	4.0
121.06507	1.0
121.10129	5.2
123.11693	1.2
129.06978	1.9
131.08563	5.9
133.06430	1.2
133.10085	6.6
135.11671	3.5
143.04695	1.1
145.10193	1.2
149.13251	11.0
155.08575	1.3
159.11705	5.5
177.12794	2.2
195.13773	8.0
202.43088	1.1
213.14792	1.8
251.16367	2.6
269.17438	30.6
287.19476	1.1
353.24600	1.8
371.25592	2.6
385.62631	0.9
389.26669	1.3
427.28494	1.0
445.29404	12.4
463.30475	100.0
464.30588	5.1
495.11801	1.1
607.34442	2.5
661.28033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
57.07066	28.5
69.07054	1.5
70.56089	1.2
70.68857	0.9
71.08625	26.1
73.06548	10.7
83.08600	4.0
85.10173	22.2
87.04459	8.8
89.06020	100.0
97.10108	0.8
99.11731	2.0
107.07043	3.8
117.09105	8.2
118.57262	0.9
130.08664	1.2
131.07019	4.1
133.08588	50.3
135.10152	1.5
141.16350	4.2
142.16811	0.9
145.01627	0.9
161.11705	2.8
175.09578	1.3
177.11208	20.9
180.59709	1.0
185.18971	6.6
221.13724	2.1
229.21605	11.8
265.16568	1.0
273.24203	5.3
277.56985	0.9
283.17459	1.1
296.01660	0.9
297.19489	0.8
309.19180	1.0
503.30328	1.1
643.46002	3.7
660.48444	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	661.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55528	1.5
55.05521	2.3
55.40089	1.5
67.05491	2.0
68.83026	1.4
69.17420	5.2
69.17825	3.0
74.31718	1.6
77.52563	1.4
89.06000	3.0
98.91372	1.4
126.78322	1.4
160.07208	1.6
250.95457	1.6
308.66953	1.7
398.13611	2.9
399.14594	2.9
412.15115	9.6
413.16132	9.4
414.17667	13.0
415.18347	8.7
426.17001	7.8
427.17599	18.2
428.18057	5.7
430.16528	4.5
432.19138	5.2
433.19446	2.3
440.18112	3.1
441.19339	31.3
442.19656	37.2
443.19962	5.3
445.18027	1.7
456.21317	1.8
457.14258	2.0
459.20496	2.6
468.17603	3.6
469.18695	71.9
470.19052	35.1
471.17386	6.0
472.17340	13.1
473.18283	7.9
474.18439	4.3
481.14505	3.4
486.18567	6.1
487.19058	2.0
495.16534	6.8
496.17133	6.4
497.17566	4.8
498.14706	7.2
500.21069	2.2
501.21005	6.7
509.17902	4.6
510.18317	8.1
511.18671	2.9
513.17566	35.4
514.17853	33.7
515.17657	3.3
523.19714	3.8
524.19995	5.9
525.21222	34.4
526.21545	55.1
527.20007	7.7
528.19495	14.5
529.19641	2.8
543.22375	31.1
544.22211	4.5
555.18719	3.4
556.19012	53.5
557.18597	7.3
569.19543	3.3
574.24219	74.0
575.24524	7.1
587.20752	2.0
601.22815	32.3
602.23145	87.3
603.22803	13.2
617.25745	1.9
629.22363	100.0
630.22583	13.1
633.25684	2.2
643.24915	4.3
661.26007	16.0
686.71619	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.25
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04235	2.1
98.23499	0.8
122.95588	0.7
169.32767	0.8
202.19460	0.8
305.95374	0.8
401.16348	0.9
414.90607	0.8
415.13968	1.1
416.14352	1.1
417.15588	2.3
418.17737	0.9
428.14508	1.3
429.15396	7.8
430.16281	3.4
431.17288	4.4
432.17572	0.8
441.15817	0.9
443.17288	3.0
444.17944	8.4
445.18622	2.7
447.16611	0.9
448.17694	1.0
454.16321	3.5
455.17041	3.6
456.18143	3.6
457.14407	14.6
458.15005	2.0
459.16815	1.2
469.18610	5.0
470.19531	0.9
471.15869	5.8
472.10651	1.5
472.17325	28.1
473.17902	4.7
474.19019	1.1
482.16010	1.4
483.16345	1.0
485.18304	2.1
486.19315	0.9
490.18530	0.8
497.18280	3.9
500.16953	2.1
501.17682	2.0
515.19092	4.1
516.19843	1.2
530.21808	1.4
531.22314	9.7
532.22510	1.2
556.19537	2.9
559.21832	59.7
560.22040	6.4
577.22253	0.9
587.21075	5.9
619.23877	100.0
620.23975	11.7
629.22205	2.3
643.23785	2.1
660.49780	0.8
661.24854	70.1
662.25165	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	662.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
77.94195	10.6
79.05514	10.1
90.36359	11.5
91.05477	16.0
95.04963	10.2
97.14292	9.0
99.37796	9.6
100.11292	9.1
103.05430	20.7
106.04156	20.1
114.63606	10.6
121.06493	30.7
122.36697	10.4
125.71893	8.9
149.05986	32.1
153.09064	10.5
163.07504	18.2
167.07025	38.0
176.62413	9.1
177.05479	31.0
181.04950	38.2
181.08594	25.9
191.07025	50.4
209.08093	100.0
263.09290	11.4
307.67010	9.4
417.14713	11.5
662.23395	18.9
663.24518	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	663.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51857	0.6
58.06598	0.8
65.03929	0.8
91.05474	1.0
98.23496	1.4
100.77074	0.6
105.07065	0.8
109.10136	0.6
120.87130	0.5
145.10054	0.6
149.02318	6.9
149.03369	1.1
150.02699	2.4
151.95592	0.5
175.36482	0.5
177.31566	0.5
193.04906	3.0
194.05327	1.3
203.05315	0.5
243.08414	0.6
312.24899	0.6
386.09268	0.8
403.10162	0.8
404.10577	0.9
413.18307	0.8
429.12057	1.7
430.12289	2.5
445.25702	1.6
446.18076	1.1
459.15182	0.9
473.14493	1.6
474.14429	4.1
501.28418	1.9
558.19891	0.8
561.21960	3.7
589.20447	0.8
621.24310	6.5
631.22681	1.1
663.33502	100.0
664.33783	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	663.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05502	1.0
57.03424	1.9
61.02920	5.7
61.31335	0.5
65.15501	0.5
67.05498	7.2
69.03415	2.9
69.07056	0.6
71.01327	0.6
73.02901	3.4
79.05480	3.0
81.03399	1.4
81.07056	3.6
83.08617	1.1
85.02895	5.2
87.27476	0.5
91.03944	3.9
91.05475	2.1
93.07024	3.3
95.04930	0.6
95.08604	1.8
97.02878	4.7
99.04487	1.0
101.02354	1.7
105.07006	0.7
105.57930	0.6
107.08611	1.0
109.02908	0.5
109.10165	3.8
112.21645	0.5
119.08578	1.3
121.10136	1.6
127.03889	1.0
133.10078	0.7
135.11685	0.7
173.11708	0.7
181.47717	0.6
192.13924	0.6
195.09987	1.1
239.42484	0.6
243.08528	0.9
296.96219	0.6
307.22812	0.6
337.27539	0.8
413.17770	3.4
491.25909	8.2
655.58203	0.5
663.37018	100.0
664.37280	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	664.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22094	0.9
81.07064	1.5
87.04470	2.1
91.05469	1.1
137.80499	0.9
146.11559	0.8
214.16934	0.8
280.72333	0.9
294.80942	0.8
326.61829	0.9
416.20184	1.1
417.20715	2.6
429.20782	1.2
431.18036	1.6
431.23019	1.9
433.23932	3.3
443.18610	1.1
444.19522	3.4
445.19513	4.5
446.21011	1.5
457.20172	2.2
458.21390	1.1
459.21689	29.1
460.22385	7.2
461.23419	4.2
473.23593	2.9
487.25388	1.1
491.24417	1.0
519.23645	4.4
531.23840	2.0
532.25146	1.3
545.25452	1.7
546.26324	2.7
547.27002	16.9
548.26752	1.3
559.26971	1.9
570.93555	1.1
574.25641	1.3
576.25647	1.7
591.25970	3.3
604.29193	4.9
605.27356	1.8
606.28326	12.1
619.29181	1.7
664.31171	100.0
665.31262	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	664.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	66.8
58.07388	1.5
67.14676	0.8
67.82450	0.7
69.03473	0.8
69.07053	1.6
69.85124	1.6
69.85454	1.2
71.04961	0.7
71.08627	1.1
73.06549	2.0
73.19875	0.9
79.05534	0.8
83.08624	1.0
87.04454	22.9
89.06020	100.0
91.05478	5.9
91.07596	1.2
93.07037	5.3
95.04960	3.4
98.22732	1.4
103.05480	1.4
105.04545	2.0
105.07015	2.6
107.04970	1.4
107.07063	2.6
107.08603	2.6
113.13284	1.4
117.07008	1.9
117.09091	1.1
118.07803	5.6
119.04918	4.7
119.08572	4.8
121.05622	1.4
121.06491	23.0
121.10152	1.5
130.08649	2.1
131.07014	8.9
133.08586	71.1
135.08031	3.4
135.11714	1.9
145.07632	0.8
147.08025	14.6
149.09558	5.9
150.06764	3.2
159.11690	2.2
160.98517	0.8
162.18402	0.8
163.11192	3.0
165.09097	8.9
167.10725	1.7
169.06111	0.8
173.09653	1.3
175.09671	6.8
177.11212	27.2
177.12738	2.9
191.10641	4.9
193.10612	1.1
193.12294	1.6
199.14684	0.8
205.04958	1.0
209.11588	4.2
211.13297	3.6
219.12328	1.3
221.13803	5.0
233.18987	20.8
234.19400	1.0
235.13284	3.1
239.14694	1.4
250.89053	0.8
250.99994	0.8
253.14410	1.7
255.15941	3.6
259.20480	4.1
260.93518	0.8
265.16455	2.1
275.23944	1.5
277.21573	33.7
279.15808	1.5
283.17462	2.0
299.18655	2.5
303.23169	1.8
309.19247	1.0
315.18158	1.3
321.24100	8.7
327.19873	1.5
491.28214	1.0
535.31213	5.9
647.43658	12.4
648.43506	1.1
664.46307	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	665.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
57.03421	1.1
61.02917	3.9
66.99368	0.5
67.05499	3.8
69.03403	2.3
69.07057	1.0
69.79460	0.8
71.04967	0.6
73.02912	2.5
79.05493	3.2
81.03405	1.2
81.07049	4.7
83.04978	0.7
83.08622	1.3
85.02885	4.0
87.04494	0.4
88.05881	0.5
91.03944	3.1
91.05444	2.4
91.51083	0.5
93.07039	4.1
95.08609	1.7
97.02880	3.4
98.22784	0.5
99.04468	0.8
101.02377	0.9
103.67521	0.4
105.07011	1.0
107.08575	3.1
109.02871	0.8
109.10155	0.8
115.54980	0.4
119.08571	0.8
121.06504	0.7
121.10130	2.3
123.08096	0.5
123.11657	0.8
127.03921	2.6
131.08559	1.2
133.10107	2.3
135.11674	1.7
142.64343	0.4
145.04939	0.7
149.13295	1.6
159.11688	1.8
161.09544	0.6
177.12732	0.7
195.13815	1.1
197.61147	0.5
215.17935	0.8
233.18936	0.7
234.07004	0.5
235.13058	1.9
241.85133	0.5
243.08444	2.6
269.17493	1.5
325.23770	0.8
344.76019	0.5
453.20905	18.3
454.21341	0.6
665.34924	100.0
666.35217	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	665.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
55.31410	0.8
57.07066	1.0
58.06593	1.1
58.59768	0.8
61.02911	2.9
67.05503	4.6
69.03429	1.6
69.07040	0.9
73.02911	2.2
79.05483	2.6
81.03405	1.8
81.07048	6.0
83.08629	1.2
85.02898	3.8
85.55963	0.9
91.03951	3.0
91.05487	0.9
93.07022	4.4
95.04948	1.2
95.08607	1.5
97.02892	2.5
97.06531	1.6
99.08150	0.9
101.02369	1.6
105.07034	1.2
107.08596	2.0
119.08545	1.1
121.10156	3.0
127.03867	1.5
131.08563	1.4
135.11713	1.0
143.08479	1.0
149.13226	2.2
159.11723	1.4
193.04930	1.4
234.74506	1.0
235.13086	1.5
243.08310	2.0
314.47516	0.8
419.95328	1.2
453.20990	13.2
618.73303	1.1
665.34924	100.0
666.35602	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	666.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22969	1.4
55.97247	1.4
65.09903	1.3
69.03419	4.6
70.06599	2.3
70.73698	3.0
72.87356	1.4
81.03450	1.8
85.02872	2.3
89.03886	8.4
91.05471	8.3
95.04948	3.0
97.02871	4.9
103.05456	1.9
105.03410	2.4
106.04121	1.4
106.77873	1.6
109.02879	1.6
111.04408	2.4
117.03362	33.2
117.83007	1.4
119.04916	12.3
121.06428	2.3
124.19289	1.7
127.03872	2.1
131.04901	2.1
133.02831	32.2
134.03577	1.6
135.04411	4.4
137.05939	17.8
145.02824	82.6
145.08551	1.9
147.04364	13.1
149.05956	25.2
150.06691	3.8
151.03831	2.3
151.07553	2.3
161.05931	7.8
162.06697	4.8
163.03995	3.0
165.05486	7.6
167.07047	3.1
173.05925	3.0
175.03867	19.6
175.14725	2.0
177.05435	100.0
179.07011	6.0
201.05440	26.2
205.06532	1.9
211.26196	1.4
231.06490	2.2
233.05901	4.3
234.06805	2.0
237.09114	2.1
252.19620	1.4
261.05469	2.7
262.06204	2.0
265.08514	4.8
292.07193	2.7
293.07990	2.6
305.07986	4.1
325.10629	49.3
325.14548	2.8
326.10977	1.9
337.10632	9.5
355.11694	18.9
373.12463	1.9
424.24960	1.7
487.15762	5.3
503.77374	2.0
627.69031	1.7
666.24689	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	666.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72972	1.2
59.62334	1.2
69.03415	4.4
77.03887	1.9
79.12427	1.5
81.03408	2.9
85.02899	4.2
89.03914	8.6
91.05468	16.5
91.64857	1.1
93.07046	2.7
94.04229	1.5
95.04952	3.2
97.02882	6.8
103.05439	1.8
105.03365	3.7
105.06995	1.9
107.04971	1.9
109.06469	1.4
109.33771	1.3
111.04414	3.9
115.03950	6.6
117.03358	19.1
119.04926	21.7
121.06485	4.7
122.03613	3.1
124.05208	1.7
127.03891	2.0
130.04089	1.6
131.04924	3.1
133.02831	94.3
133.06503	2.1
134.03709	1.3
135.04382	3.5
137.05948	31.7
137.06992	1.7
145.02820	42.8
147.04398	19.4
149.05956	37.7
150.06735	10.9
151.07533	3.0
157.03926	2.7
160.05179	1.6
161.05940	13.0
161.09573	1.5
162.03143	2.1
162.06744	6.1
163.02538	1.3
163.03889	5.9
165.05479	10.9
165.06703	1.8
173.05981	7.1
175.03880	39.6
175.07379	1.3
177.05446	100.0
178.05830	3.1
179.07010	6.4
186.03017	1.9
189.05446	1.5
189.06947	1.4
191.06926	2.4
191.08502	1.6
193.04950	2.0
201.05440	50.5
202.05798	1.5
205.04846	7.4
205.06532	5.1
213.05421	3.9
215.07007	1.7
222.06546	2.7
231.06537	5.7
233.05943	7.6
234.06778	4.2
235.07394	2.0
237.09087	2.5
245.05869	1.8
246.06651	1.3
247.07492	2.4
249.05394	4.1
249.09219	1.5
250.06177	2.9
251.06940	1.7
255.16783	1.3
257.08002	3.9
261.05426	3.4
262.06296	2.0
264.07901	2.6
265.08524	8.2
275.06836	2.0
277.05057	2.0
277.08597	3.7
279.06577	1.5
279.09851	1.7
290.05746	1.3
292.07254	7.6
293.07983	5.9
294.08798	2.1
305.08075	4.4
307.09592	2.7
309.11191	2.5
325.10648	84.5
326.10934	3.0
337.10602	20.8
341.13727	2.1
349.10907	1.6
354.30386	1.3
355.11725	27.3
356.11981	1.5
451.13034	3.7
451.69321	1.3
469.15063	3.0
487.15985	8.0
664.49542	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90267	0.8
54.54468	0.8
55.80215	0.8
57.03435	1.9
58.76853	1.0
66.16430	0.9
67.05498	0.9
69.03419	6.8
69.07056	1.4
70.03841	2.1
70.04173	0.9
70.06592	1.3
71.04972	3.6
78.94055	0.9
79.05481	2.7
81.03409	7.5
81.07043	3.0
84.04488	2.3
85.02886	1.8
85.06531	1.1
89.03899	7.7
91.05472	1.7
93.07044	2.0
95.04964	1.1
95.08585	1.8
97.02898	1.5
98.23339	1.1
99.04440	4.6
102.42140	0.8
105.07011	2.4
107.04944	2.7
107.08569	2.0
109.10130	2.2
110.23494	0.9
111.08041	1.0
117.03353	7.8
119.08557	2.2
121.10185	1.2
127.03885	1.5
130.04987	1.9
131.08565	1.1
133.02834	1.4
135.04396	17.7
137.05998	1.9
145.02841	13.1
145.07591	1.0
145.08643	1.4
145.10066	1.5
146.56889	0.9
147.04321	0.9
147.09163	2.2
149.09618	0.9
163.03883	100.0
164.04169	2.7
169.87383	0.9
173.07109	1.7
175.08652	2.6
177.05377	1.8
191.08127	44.2
225.62708	0.9
245.13112	0.8
289.11887	1.4
307.12805	19.4
325.13898	66.0
326.14148	1.5
339.05005	1.0
365.23151	1.1
443.24945	0.8
469.16061	8.2
487.16547	4.7
504.26047	1.9
573.49518	1.1
633.87225	0.9
665.36627	2.9
666.37775	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	666.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25770	2.1
53.91058	2.3
55.05505	11.0
57.03422	11.2
57.07067	6.8
57.72482	2.6
60.23335	2.3
61.02917	43.5
67.05157	4.0
67.05496	60.6
69.03413	6.0
69.07057	8.5
69.91783	8.5
71.04982	6.2
73.02894	15.4
79.05480	52.4
81.03433	2.3
81.07047	59.5
83.08607	8.8
85.02889	44.2
85.06535	9.2
90.79258	2.6
91.03946	31.6
91.05463	30.8
93.07028	62.9
95.04950	5.3
95.08594	48.7
97.02884	20.4
97.06532	5.2
98.23377	3.2
99.08086	8.3
105.04509	3.3
105.07012	20.1
107.08572	34.4
109.10143	30.4
111.08082	3.0
113.09669	4.1
115.03893	3.8
117.06985	10.9
119.08561	16.2
121.10132	50.9
123.11702	16.9
127.03905	10.3
131.08556	24.5
133.10109	22.0
135.11671	54.1
135.12640	4.3
137.13222	6.6
145.04941	16.6
145.10110	23.5
147.11705	17.6
149.09554	3.2
149.13237	33.5
150.67430	2.5
151.11180	3.2
159.11665	19.0
163.06009	23.3
163.11166	3.8
173.13232	17.3
187.14880	5.5
205.19493	9.6
215.17917	80.5
233.18968	100.0
251.20006	6.9
268.81516	2.5
307.22656	24.5
325.23660	44.3
338.25220	2.9
409.82416	3.2
454.21033	5.4
468.06995	2.6
469.27600	9.1
475.41611	2.8
480.79135	2.6
491.51224	2.7
666.35400	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.05505	7.3
57.03413	5.1
57.07059	5.2
61.02919	31.1
67.05493	46.3
69.03413	5.5
69.07054	7.4
71.04970	6.0
73.02905	13.3
75.04523	1.3
77.03962	1.6
79.05036	2.7
79.05482	43.6
79.05943	2.3
81.03403	2.3
81.07046	50.8
83.04922	1.8
83.08601	5.1
85.02892	37.1
85.06538	6.7
91.03940	30.2
91.05461	22.1
93.07030	54.3
94.54155	1.2
95.04950	6.6
95.08591	32.7
95.59978	1.4
97.02882	17.6
97.06510	4.3
97.10130	1.6
97.86070	1.2
98.23459	2.1
99.04418	2.4
99.08064	4.5
101.55769	1.3
105.04511	1.7
105.07013	19.6
107.08581	27.1
108.08941	1.4
109.02920	1.3
109.06513	2.2
109.10131	21.1
110.88492	1.3
111.08081	3.9
113.09621	4.3
115.03936	1.7
117.06992	8.4
119.08565	15.6
121.10129	39.2
123.08053	1.5
123.11674	14.8
123.40576	1.2
125.09608	2.6
127.03890	10.4
131.08548	21.0
133.10106	18.2
135.08034	1.9
135.11667	46.6
137.09625	3.8
137.13232	3.9
139.11121	1.7
145.04906	13.5
145.10120	16.3
147.11653	13.1
149.09526	2.1
149.13232	27.2
151.11194	1.8
153.12732	1.9
159.11667	17.8
161.13255	3.6
163.05998	26.8
163.11140	3.2
171.11723	2.3
173.13190	13.5
175.14890	2.9
177.12688	2.4
187.14774	6.9
189.16269	2.2
205.15877	1.7
205.19496	9.6
215.17912	76.4
233.18953	100.0
234.19240	3.0
251.20009	2.2
307.22598	11.7
325.23685	36.7
454.21631	1.9
456.23138	1.3
469.27466	1.6
545.19427	1.4
666.35284	23.9
667.35291	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	666.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66296	0.9
53.03934	1.0
53.22113	0.9
55.01854	1.3
55.05508	4.2
57.03440	1.5
57.07057	1.2
61.02922	3.8
67.05498	8.6
67.07651	0.9
69.03420	5.1
69.07057	6.0
69.94183	1.6
69.94517	1.7
70.06580	1.6
71.05015	0.9
73.02909	2.6
79.05476	5.1
81.03400	2.0
81.06618	1.6
81.07043	17.7
82.29095	0.9
83.08611	2.4
85.02888	17.4
85.03394	1.0
85.06560	0.9
88.07645	1.2
91.03936	1.2
91.05442	6.8
93.07030	16.1
95.04932	2.1
95.08593	35.9
96.29960	0.9
97.02868	6.5
97.06523	2.1
97.10164	1.7
99.04449	1.2
105.07009	20.9
107.08569	22.2
107.09243	1.5
108.08845	0.9
109.02866	1.5
109.06456	1.2
109.10129	16.8
111.08066	3.1
117.06996	1.9
119.08557	32.4
121.10119	20.4
122.10405	0.9
123.08047	2.4
123.11710	7.6
125.09578	1.5
127.02942	1.0
127.03904	3.6
131.08545	10.8
133.10107	24.0
135.11646	9.7
137.09573	1.3
137.13237	2.4
143.08551	2.5
145.04924	4.4
145.10101	21.7
147.08022	1.3
147.11650	21.0
149.13228	10.3
153.09114	2.3
157.10106	2.8
159.11681	12.2
161.09579	1.7
161.13232	22.1
162.07567	1.5
163.14818	14.2
165.09143	1.3
171.11691	2.8
172.12453	1.4
173.13266	11.7
175.14784	26.9
177.16324	9.7
179.10753	1.1
180.08612	11.7
183.11697	1.7
185.13266	4.7
187.14780	59.0
188.15187	2.4
189.12712	2.1
189.16347	51.4
190.16666	1.9
191.14314	3.5
191.17877	3.5
193.05081	1.5
199.14809	4.2
201.16347	27.3
203.14310	1.2
203.17909	17.1
205.15671	1.2
207.17413	3.9
213.16403	3.1
215.14458	1.1
215.17924	6.9
217.15851	1.8
221.15297	7.1
225.16492	1.3
227.17932	4.0
229.15851	2.1
229.19481	3.0
231.17490	2.3
233.15285	2.7
233.19000	2.1
235.16841	6.5
239.17891	1.6
241.19460	3.1
245.15277	1.4
247.16943	7.6
247.20613	1.6
249.16167	1.4
249.18503	10.1
253.19366	1.3
259.16959	1.8
261.18365	5.4
267.20938	1.9
273.18463	1.3
275.20132	2.1
279.20972	2.0
281.22675	1.2
283.24133	1.2
295.24152	1.1
341.24652	1.8
344.26065	1.1
377.32019	5.8
387.30457	1.1
395.33069	13.4
396.33307	1.1
397.34723	1.3
405.31357	13.1
423.32492	100.0
424.32947	6.3
425.34143	2.9
433.30875	2.4
441.33569	42.0
442.33936	2.9
451.32004	16.1
469.33063	43.0
470.33667	2.4
508.95285	1.2
666.35455	8.0
666.50690	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	667.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02263	1.2
66.52967	1.1
70.63702	1.7
77.23212	1.0
77.99660	1.3
93.11465	1.3
130.04929	1.1
137.05984	3.4
154.36484	1.1
163.93375	1.1
175.07581	1.4
179.72636	1.7
425.12225	2.8
440.14557	6.3
454.16718	1.4
505.28726	2.0
537.87024	1.3
637.23834	1.4
667.23523	100.0
668.24097	7.3
673.34174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25439	0.4
69.59110	1.0
89.73301	0.4
91.05505	0.4
98.22836	0.6
98.23385	0.6
107.08632	0.5
109.10175	0.7
137.05972	1.3
137.09607	0.4
143.08656	0.5
161.06041	0.5
165.09192	0.5
179.03442	0.4
203.05110	0.4
205.04912	1.6
219.06490	0.6
233.26454	0.5
249.07379	0.5
271.06180	0.6
317.17245	0.6
344.15619	0.4
350.53940	0.4
373.12866	0.6
373.18289	0.8
403.98520	0.4
425.11987	2.8
440.14291	7.0
441.14877	0.8
469.29153	0.6
487.30618	1.4
505.30954	0.5
619.21741	0.9
639.58368	0.5
667.23584	100.0
667.36169	12.7
668.24030	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	668.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
54.34460	0.4
55.01867	3.1
57.03438	1.1
59.05007	0.8
62.15974	0.4
69.03422	9.3
70.06590	0.9
71.04985	19.7
73.02916	0.9
77.92655	0.4
81.03413	7.7
84.23043	0.4
85.02894	9.1
87.04458	3.9
89.96333	0.4
90.11240	0.3
90.29018	0.3
91.01786	0.4
97.02248	0.7
97.02879	12.8
97.03483	0.8
99.04445	100.0
100.04765	0.8
109.02875	7.1
111.04419	0.5
115.03917	89.0
116.97392	0.4
117.05486	7.9
123.04397	0.8
127.03913	9.5
129.05452	1.1
133.04955	14.8
137.06010	0.4
145.04924	3.9
147.06474	0.9
161.05992	0.5
163.06090	0.5
163.07509	0.5
167.46783	0.4
171.06499	1.0
187.05948	1.0
201.07549	0.9
211.06068	0.5
213.07501	0.5
223.05933	1.0
225.07553	0.8
241.07027	3.3
243.08623	4.7
243.70993	0.4
259.08099	14.9
261.07434	0.4
261.09708	3.8
276.12259	2.0
277.09155	27.1
285.09732	0.6
291.14597	0.4
301.09152	0.6
357.11737	0.7
367.10220	0.5
373.11154	0.5
465.14047	0.5
477.28842	0.4
483.14465	0.7
501.15717	0.9
503.35547	0.5
516.95007	0.4
519.16553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03263	0.9
55.01863	2.8
57.03387	1.3
69.03405	5.1
70.06555	1.0
70.61103	1.7
79.05476	2.8
81.03405	6.9
83.04958	3.0
85.02888	5.0
89.03909	3.2
91.05460	6.6
91.93765	1.3
93.14258	1.0
94.04133	1.4
95.04941	2.7
97.02863	11.3
99.04440	2.6
103.03912	1.9
103.05447	3.9
105.07021	4.5
107.04916	3.8
109.02858	5.3
111.04391	3.0
115.03950	2.7
115.05421	4.0
117.03358	9.3
117.07028	1.3
119.04919	4.6
121.06480	4.5
122.03613	4.2
123.04436	1.8
127.03874	9.0
131.04897	5.4
133.02843	3.2
133.06476	4.0
135.04370	1.5
135.08023	1.8
137.05952	89.3
141.06995	1.9
143.04855	1.7
145.02821	21.7
145.06435	2.2
145.08546	2.0
147.04391	4.8
149.05962	11.2
150.06747	1.2
151.03876	3.3
151.07555	7.6
153.05447	3.7
158.07291	1.4
159.07996	1.3
160.05156	2.1
161.05952	67.7
162.06602	3.3
163.03874	3.9
163.07497	6.9
164.04469	1.3
169.06491	3.8
171.07999	1.1
173.05899	1.8
175.07516	14.2
177.05446	36.6
177.08852	2.4
178.05801	1.4
179.07004	59.0
180.07234	1.4
181.06429	1.8
187.07544	5.0
188.04683	2.7
189.05342	2.0
189.09032	2.3
191.06967	14.3
193.06485	2.6
194.07263	2.0
195.06499	5.7
197.06064	5.5
197.07782	1.3
199.07474	1.3
201.05446	3.0
201.09038	3.6
203.07001	100.0
204.07315	1.6
205.04662	1.5
205.08540	2.0
209.08066	2.9
210.06767	2.0
211.07515	2.2
215.06984	10.5
217.06564	1.2
217.08492	2.6
219.10132	1.3
221.05905	5.3
221.08067	5.5
222.06570	2.6
224.08345	1.8
225.05385	1.6
225.09079	5.9
227.07034	1.7
229.08601	9.1
230.14803	1.1
233.07990	10.4
237.09039	3.0
239.06912	1.8
239.09064	1.7
241.08482	1.4
245.07982	2.8
252.07791	2.6
253.08560	6.9
254.09431	2.4
257.07999	17.4
262.06100	1.5
263.08948	1.9
265.08591	4.2
267.10141	3.1
269.07996	1.7
275.09100	9.6
277.08289	2.2
279.10092	1.5
282.09122	1.4
283.09586	7.4
285.11169	11.9
287.09076	4.4
293.10138	2.1
295.09445	2.3
297.11237	13.0
305.10046	4.7
307.09467	4.5
309.11124	3.5
321.11166	2.1
323.11273	6.2
325.10626	5.1
327.12192	17.3
329.10126	1.6
335.12589	1.3
337.10663	2.5
339.12259	10.7
351.11984	2.6
357.13196	1.5
365.12418	4.4
377.12457	1.2
393.13321	1.4
435.14420	4.1
437.14124	1.2
453.15265	9.3
465.15338	2.6
471.16290	9.9
483.16324	3.3
489.17255	11.6
501.17285	3.0
669.22986	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93948	1.0
55.01873	1.4
56.43405	0.8
69.03419	4.1
74.51949	0.9
79.05489	2.1
81.03400	5.3
83.04967	1.4
85.02901	3.4
89.03909	2.9
91.05471	7.1
95.04962	2.5
97.02876	7.9
98.23499	2.7
99.04461	1.7
100.25943	0.9
103.05479	2.9
105.04468	1.0
105.07034	4.3
106.04157	1.1
107.04966	3.1
109.02841	5.5
111.04404	1.4
115.03925	2.4
115.05445	1.9
117.03368	8.9
119.04960	5.6
121.06491	3.3
122.03649	3.7
127.03909	6.8
129.07047	1.3
131.04927	4.1
133.02823	4.7
133.06467	3.9
135.04416	1.4
135.08089	1.9
137.05959	89.5
138.06261	1.6
141.06958	1.8
143.04865	1.7
145.02838	21.7
145.06488	2.3
146.03531	0.9
147.04410	6.2
147.08046	1.9
147.53996	1.1
149.05939	10.8
150.06718	2.8
151.03894	4.0
151.07539	6.0
155.04913	1.5
159.04390	1.5
160.05205	2.5
161.05957	64.2
162.06660	1.5
163.03918	2.1
163.07478	6.4
163.80591	1.0
164.04649	1.2
169.06476	4.4
171.04459	1.3
173.05975	2.2
174.06744	1.2
175.07520	16.4
177.05455	37.5
178.05898	1.4
179.07010	57.6
180.07364	1.4
181.06401	1.9
183.04489	1.3
187.07523	4.4
188.04707	2.3
189.05446	1.6
191.06998	13.7
191.08644	1.1
193.06519	1.7
193.08504	1.4
194.07310	1.3
197.05954	5.6
199.07503	1.2
201.05424	1.9
201.09077	3.7
203.07007	100.0
204.07419	2.7
205.06593	1.4
205.08592	3.0
209.08009	2.3
210.06682	2.3
211.07553	1.0
215.07037	9.3
217.08598	2.8
221.05945	4.1
221.08104	6.0
222.06628	2.0
223.05861	1.1
225.09082	4.7
227.07108	1.7
229.08549	9.9
233.08025	10.1
235.09686	1.2
237.09079	2.8
238.06265	1.2
239.06966	1.3
239.09082	1.3
241.08508	1.9
245.08057	2.9
247.09599	2.5
249.09090	1.7
253.08508	7.2
257.08057	15.0
257.11945	1.0
259.09598	1.5
263.09247	2.7
265.08554	4.4
266.09421	1.2
267.10147	4.6
268.07330	1.6
269.08115	2.9
269.11469	1.3
275.09045	9.3
277.08496	1.4
279.10013	1.3
280.07227	1.1
281.11667	2.8
282.08838	2.6
283.09647	8.2
285.11227	11.2
287.09076	3.1
292.07062	1.2
293.10364	2.4
295.09702	3.4
297.11282	14.5
305.10376	1.8
307.09689	2.7
309.11203	3.8
311.09042	1.7
311.12613	2.4
312.09656	1.3
319.09607	1.3
319.75168	1.1
321.11087	3.1
323.11539	4.9
325.10620	3.8
327.12271	17.1
328.12344	1.6
329.10275	1.4
337.10715	2.0
339.12289	9.3
343.11688	2.7
347.11850	1.1
351.12329	2.3
355.11667	1.3
357.13226	2.0
363.12296	1.2
365.12201	3.4
376.07111	1.1
377.12378	2.3
381.13467	1.1
429.14249	1.0
435.14029	5.1
437.14392	2.4
447.14392	1.6
453.15421	12.1
465.14941	2.3
470.33047	1.1
471.16470	10.3
483.16135	2.8
489.17535	9.8
501.17377	3.8
530.76147	1.1
668.21881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75816	2.1
53.03938	6.6
55.01861	8.7
55.05502	24.9
55.45555	2.6
57.03423	3.9
57.07061	4.2
59.04999	3.3
65.03937	4.2
66.53705	2.4
67.05497	94.4
67.05862	4.5
69.03422	25.2
69.07056	21.9
71.04987	5.9
71.44894	2.7
79.05487	69.8
81.03404	24.0
81.07048	100.0
83.04982	5.8
83.08599	15.0
85.02898	7.2
85.06535	3.6
87.04465	9.5
91.05469	49.9
93.07032	82.5
93.07594	5.2
95.04961	16.8
95.08590	72.4
97.02879	44.9
97.06526	7.9
97.10156	4.4
99.04456	5.0
105.04504	3.5
105.07013	44.3
107.04931	6.3
107.08582	54.8
109.02890	9.1
109.06518	3.0
109.10151	40.6
111.04430	3.6
111.08080	4.4
115.03917	84.2
116.06058	2.4
117.07011	28.6
119.08566	32.3
121.06498	5.5
121.10139	41.2
123.08064	4.0
123.11682	13.5
127.03902	12.5
128.06171	3.1
129.06990	13.4
130.07858	3.6
131.08559	39.1
133.06537	3.1
133.10123	33.4
135.08043	4.4
135.11691	26.2
137.09669	2.8
137.13225	3.1
138.07881	3.2
141.06973	4.2
142.07710	3.0
143.08543	11.6
145.06447	5.3
145.10107	29.2
147.08023	4.5
147.11662	20.8
149.09627	4.6
149.13272	17.0
153.09087	2.5
155.08568	7.1
157.10110	9.4
159.07993	3.0
159.11661	19.7
161.09552	2.8
161.13232	18.1
163.14861	10.3
164.99408	2.2
165.12688	3.1
166.06293	2.6
167.08586	2.6
169.10127	6.5
171.08032	4.4
171.11708	9.1
173.09612	3.3
173.13269	21.7
175.11182	3.5
175.14844	7.8
177.12843	5.9
177.16211	3.8
181.10155	3.0
181.12093	3.3
183.11676	8.5
185.09586	3.5
185.13232	7.5
187.11218	7.1
187.14819	9.9
189.12781	3.7
189.16293	3.8
191.10736	3.0
191.14143	3.4
195.11739	4.6
197.13318	6.3
197.41449	2.5
199.14787	7.8
201.12775	4.1
201.16367	4.3
209.13310	2.8
211.14859	4.9
221.13231	3.9
227.14409	3.0
241.19452	5.0
243.21088	18.0
259.20450	14.4
261.22119	49.6
271.16962	2.5
273.18607	2.9
273.21909	4.1
291.57578	2.5
301.21518	4.2
303.23135	8.6
305.21124	6.8
315.23233	7.3
321.22101	3.4
327.23026	3.9
329.24643	3.3
333.22119	2.4
339.23160	13.6
341.24823	5.3
351.23169	11.0
357.24249	27.3
369.24225	22.0
375.25253	44.9
375.29987	3.2
387.25339	8.1
398.63391	2.4
405.26331	4.1
415.24780	2.8
429.72656	3.5
483.27124	15.4
501.28445	16.0
519.29443	8.0
537.30707	3.8
668.40283	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	668.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05502	7.2
57.03430	6.9
57.07071	8.4
61.02917	24.1
67.05493	50.5
69.03431	3.4
69.07054	13.5
69.75372	4.8
71.04974	1.5
71.08627	2.5
71.70203	1.5
73.02905	7.1
75.12958	1.4
79.05486	13.0
80.52319	1.5
81.03407	1.9
81.07045	58.0
82.07406	1.7
83.08610	8.9
85.02896	29.6
85.06539	2.5
85.10152	2.2
90.24224	1.3
91.03945	21.0
91.05463	14.4
93.07034	15.6
95.04949	1.9
95.08594	50.0
97.02883	14.6
97.06512	3.7
97.10159	4.6
99.08070	5.4
105.07001	8.0
107.08581	12.2
109.10138	22.1
111.08057	3.0
113.09632	5.7
115.16915	1.4
119.08566	14.7
121.10114	15.7
123.11704	11.2
127.03912	9.7
127.11163	3.4
133.10124	17.0
135.11665	14.3
137.13242	15.2
139.11143	2.6
145.04945	14.7
147.11703	11.2
149.13264	6.2
151.11119	2.0
151.14845	11.8
153.12776	1.9
159.62785	1.4
161.13263	12.7
163.05991	17.2
175.14795	4.1
177.16481	1.9
204.34985	1.7
217.19473	69.1
218.19791	1.7
235.20525	100.0
236.20894	2.1
253.21472	1.8
309.24207	23.1
327.25290	7.1
341.29861	1.6
355.14398	1.6
379.88574	1.8
471.29517	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.3
55.21352	1.8
57.03428	4.3
57.07059	13.6
58.06603	2.1
61.02914	26.6
65.03939	1.6
67.05490	64.7
69.03442	4.0
69.07050	18.9
71.04985	2.8
71.08622	4.2
73.02907	8.8
79.05475	20.6
81.07043	80.7
81.71342	1.7
83.04967	2.5
83.08593	9.3
85.02890	29.7
85.06543	6.5
85.10176	3.1
91.03944	27.1
91.05460	16.4
93.07027	20.8
95.04913	2.2
95.08588	63.3
97.02866	15.4
97.06528	6.3
97.10154	6.5
99.04429	2.2
99.08091	8.4
105.06999	9.9
107.08573	13.1
109.06485	1.9
109.10130	27.1
111.08026	4.7
111.11684	2.4
113.09659	6.5
115.03916	1.9
119.08583	15.0
121.10096	17.8
122.78043	1.6
123.11671	14.5
127.03913	7.0
127.11189	6.9
133.10112	18.4
135.11664	20.6
137.09663	2.4
137.13229	18.0
137.99408	1.6
139.11177	2.3
145.04988	11.7
147.11659	15.0
149.13254	5.1
151.11177	2.5
151.14771	15.7
153.12727	1.7
161.13222	15.6
163.05968	17.5
163.14833	1.9
165.12682	1.8
175.14827	6.1
189.16374	2.9
217.19472	73.8
235.20508	100.0
236.20802	3.9
309.24167	45.2
309.27731	2.3
321.91818	1.6
327.25214	11.1
448.62119	1.7
471.29483	4.0
516.21283	1.9
650.34619	1.9
680.51898	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2913
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
51.04356	1.2
69.47736	4.1
70.91074	0.9
72.87261	1.2
85.90273	1.0
98.22689	1.1
120.08067	2.1
121.19818	1.4
134.24744	1.1
150.00546	1.0
177.79347	1.1
191.07919	1.1
209.10844	1.3
210.11502	2.6
222.25737	1.0
224.09264	1.1
225.10130	1.1
231.89790	1.2
237.10210	2.1
253.13454	2.5
300.11133	1.2
301.11960	1.3
315.13568	1.2
316.14413	1.8
328.14304	1.5
343.13193	1.4
356.13855	1.7
367.21643	1.1
373.52173	1.2
374.15189	1.6
390.18491	1.4
398.14569	1.5
418.18442	1.2
419.18399	1.7
421.66962	1.3
435.22153	1.3
462.20242	1.8
463.21252	1.6
475.21136	2.8
489.22604	1.3
491.20654	2.6
502.20419	1.3
507.20004	10.6
577.24011	4.4
605.23334	2.3
609.27124	7.8
637.26459	100.0
638.27411	6.2
669.29767	7.0
669.39764	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80724	0.4
53.55451	0.3
64.08736	0.3
69.57261	0.8
73.59892	0.3
75.04485	0.4
90.42048	0.3
95.26755	0.3
98.22682	0.4
105.13371	0.3
120.51827	0.3
176.27760	0.3
359.01746	0.4
364.15808	0.4
370.99734	0.4
375.16272	0.5
376.16995	0.5
377.17731	0.8
378.18811	0.5
379.19281	0.5
390.18341	0.4
391.15289	1.1
391.19470	1.1
392.20273	0.7
393.20740	3.1
403.19263	0.5
405.17068	2.1
405.21011	1.4
406.17587	0.7
407.18298	0.4
417.16510	0.4
418.17548	0.6
419.18494	3.4
420.19449	2.7
421.20160	5.2
431.18481	0.9
432.19666	0.6
433.15695	0.8
433.21191	2.4
434.17300	1.0
435.18234	1.1
444.19543	0.6
445.20056	1.1
447.17593	3.2
448.18704	3.5
449.19763	4.8
460.18942	0.7
461.19885	3.1
462.20346	1.1
463.16684	0.5
463.22137	0.8
472.18851	0.4
473.19916	0.8
475.21255	1.6
476.18015	2.0
477.18860	2.7
478.19946	0.6
479.24951	0.5
489.18973	1.7
490.19958	1.4
491.20804	1.9
492.21481	0.9
494.23105	0.4
495.23779	1.0
503.20813	1.8
507.24237	4.7
517.22900	0.6
521.25500	0.5
523.24023	0.5
535.23303	9.9
536.23834	0.5
549.25110	3.6
550.25195	0.4
559.24011	1.8
561.25037	0.5
561.60175	0.4
563.22833	16.3
564.23004	0.9
567.26019	0.7
577.24323	4.6
578.25122	1.1
579.26062	0.9
581.27814	2.1
595.25500	3.8
609.27008	5.0
619.25391	1.0
623.24951	6.2
624.24976	0.4
637.26520	2.2
641.29498	1.7
669.29077	100.0
670.29504	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	669.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99282	1.5
59.88435	1.5
65.83293	1.5
69.53339	7.6
81.07024	2.1
81.37914	1.6
91.25893	1.6
98.23381	3.7
118.06531	2.1
139.50363	1.7
179.03278	1.7
184.83829	2.2
189.20528	1.8
203.36946	2.1
223.12207	3.3
225.10704	1.6
225.13731	2.5
235.12280	2.3
237.13954	2.8
249.10440	2.2
308.54742	1.8
325.12329	2.1
327.98843	2.1
415.19379	2.6
426.15109	2.3
427.15515	3.6
428.15784	2.0
441.17075	3.3
443.18130	2.3
445.16425	2.0
456.19409	1.8
457.20084	5.6
469.16574	3.4
471.22025	3.8
472.22638	3.9
475.21414	3.3
484.18274	2.8
485.19547	3.3
489.22562	2.7
491.21017	2.8
499.21198	11.5
500.21994	3.2
503.20807	3.4
517.22424	11.3
527.20746	17.6
528.21478	3.2
543.24176	12.9
545.21844	2.7
559.23230	4.8
587.22821	100.0
588.23090	7.1
605.23511	2.2
619.25476	83.3
620.25604	5.0
634.41351	1.9
637.26752	12.4
669.28186	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	670.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50895	0.8
53.03936	1.0
55.01839	1.3
60.99471	0.8
64.01453	0.9
67.05508	1.9
69.03406	2.4
69.41717	3.7
70.06577	1.1
79.05473	3.7
80.04996	1.9
81.03410	4.9
81.05760	0.9
81.07041	4.2
82.06552	1.9
85.02878	2.2
91.05473	2.0
93.05769	2.2
93.07036	3.5
94.06556	5.2
95.04967	1.2
95.07363	1.8
96.08107	6.4
97.02858	2.6
97.06510	1.0
99.04446	1.3
103.05466	1.7
105.07049	2.0
106.06544	2.4
107.04941	2.0
107.07302	2.5
108.04459	9.2
108.08108	16.0
108.12904	0.9
109.02866	3.1
109.06522	1.7
110.06019	11.1
110.09660	6.6
111.04447	1.2
116.04951	2.8
118.06480	1.1
120.04465	2.0
120.08075	10.1
122.06013	8.4
122.09643	7.4
124.07571	13.6
126.09088	1.8
127.03899	4.6
131.04887	1.4
132.04491	1.2
132.08078	1.0
133.10146	1.7
134.06021	2.0
136.07562	19.5
137.05977	1.6
138.09119	13.3
140.77754	0.8
144.04411	3.5
145.05132	0.8
145.08577	1.4
146.05989	16.6
148.07523	6.1
150.05469	2.3
150.09131	9.2
152.07034	9.2
154.08595	3.0
160.03893	7.0
160.07635	1.3
162.05479	3.6
163.03908	1.5
164.07007	2.8
165.09094	1.2
166.08609	14.2
166.51262	0.9
168.06554	4.3
170.08124	5.0
172.03923	17.2
173.04666	1.0
174.05443	10.5
178.04889	1.1
186.05493	1.1
190.04947	12.6
192.06583	1.0
196.07500	1.0
196.09824	1.3
198.09096	1.8
204.06506	10.6
206.04500	1.5
206.07999	2.0
211.12265	2.9
212.09282	2.0
213.10133	1.4
216.10213	1.9
222.11295	1.0
223.12224	1.3
225.10173	2.5
227.08118	1.3
227.11734	1.9
229.13303	1.2
235.08478	1.1
236.09396	3.5
237.10268	1.5
239.11821	2.7
240.06502	0.9
241.09731	2.1
249.10165	2.0
250.08572	1.0
250.10927	1.9
251.11674	4.9
253.09673	3.1
254.10326	1.3
255.11208	2.2
263.07916	1.2
264.08914	4.1
265.09760	2.4
267.11230	3.3
269.09222	1.5
269.12766	1.8
273.12537	1.4
276.08673	1.1
277.09775	1.4
278.10580	1.2
279.11258	7.5
281.09219	4.6
281.12799	1.1
282.09818	1.5
283.10654	3.1
285.12253	1.2
287.10208	2.4
292.08417	1.5
295.10678	5.2
296.11331	1.1
297.12338	6.6
299.10300	1.7
307.10742	6.3
311.10352	2.0
313.11740	2.5
323.10126	5.4
325.11749	10.1
341.11255	3.2
343.12903	2.0
355.12628	1.1
359.24951	0.9
383.12204	1.8
427.15033	1.1
429.16437	1.3
443.14359	2.2
445.15457	1.1
449.13239	1.7
455.14493	5.8
467.14499	5.2
473.15308	3.1
475.17252	1.1
476.17941	1.6
485.15146	4.8
499.17014	1.7
556.19916	1.4
574.21539	2.9
592.23016	4.4
602.21008	4.5
610.23871	6.0
620.22272	7.7
638.23309	100.0
639.23743	6.8
642.26404	1.8
652.24457	3.7
656.23816	2.6
670.25964	21.5
671.25714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
61.02920	1.2
67.05521	0.5
69.03415	4.3
69.18696	2.5
70.06583	0.9
73.02882	0.5
74.50768	0.5
79.05489	1.6
81.03408	1.3
81.07053	0.7
82.06557	0.5
85.02885	5.0
87.04478	0.7
91.05482	0.6
93.07034	1.6
94.06562	2.2
95.04958	1.8
95.07336	1.6
96.08124	5.8
97.02861	2.6
104.58588	0.4
106.06537	3.1
107.07336	0.6
108.08103	6.4
109.02900	0.8
110.07156	0.5
110.09660	6.9
115.03905	2.3
116.04989	1.0
118.06500	0.7
120.04475	0.5
120.08082	5.2
122.02760	0.5
122.06001	7.1
122.09681	1.0
124.07574	13.7
124.08418	0.9
127.03924	1.5
132.08124	0.5
134.05980	2.8
135.04338	0.5
136.07571	5.9
137.05954	0.9
138.09126	10.5
144.04459	1.5
145.05035	0.8
146.06004	2.6
148.07561	3.0
150.05467	2.7
150.09135	1.8
152.07027	3.0
153.88599	0.5
160.03922	2.0
162.05473	0.8
163.03880	0.7
164.07086	0.5
166.08615	15.5
172.03960	3.2
173.04721	1.7
174.05458	3.7
176.07054	0.7
186.05499	0.6
190.04961	15.4
191.05705	1.2
197.11754	0.5
204.06526	9.3
204.08295	0.7
207.10335	0.5
207.58696	0.5
209.08304	0.5
210.09111	0.7
222.09105	3.1
223.12332	0.8
234.09116	1.1
235.08501	0.5
236.07100	1.0
236.09381	0.9
237.10292	0.7
238.08560	0.7
239.08145	0.6
239.11748	0.8
248.07025	0.5
249.10182	2.3
250.08626	5.2
250.11018	1.0
251.08022	3.7
251.11809	1.2
252.06451	0.7
252.08809	1.1
255.08966	0.6
262.08643	1.3
264.06491	0.6
264.09030	0.9
265.09753	1.3
266.08038	0.8
266.10571	0.5
267.08585	0.5
267.11227	2.7
268.09647	1.0
277.09662	5.5
278.08011	2.5
278.10678	0.6
279.11237	4.6
283.10788	0.5
295.10751	6.6
296.11279	0.6
297.12320	8.5
300.10132	1.2
305.09375	1.3
306.07419	2.1
307.10675	2.2
311.10220	2.3
323.10330	4.4
324.10901	0.5
325.11783	31.8
326.12201	0.6
329.11459	0.7
337.11771	0.8
338.10257	1.7
343.12830	5.1
347.12326	0.8
355.12839	31.5
356.13330	1.3
357.14474	1.3
371.23187	0.5
394.63828	0.6
430.17764	1.1
448.18774	0.7
476.18283	2.1
480.21283	0.9
487.17017	1.7
490.20090	0.7
508.20685	23.6
509.20761	1.5
604.35571	0.5
642.27045	0.9
670.25952	100.0
671.26440	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	670.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
61.02920	1.2
67.05521	0.5
69.03415	4.3
69.18696	2.5
70.06583	0.9
73.02882	0.5
74.50768	0.5
79.05489	1.6
81.03408	1.3
81.07053	0.7
82.06557	0.5
85.02885	5.0
87.04478	0.7
91.05482	0.6
93.07034	1.6
94.06562	2.2
95.04958	1.8
95.07336	1.6
96.08124	5.8
97.02861	2.6
104.58588	0.4
106.06537	3.1
107.07336	0.6
108.08103	6.4
109.02900	0.8
110.07156	0.5
110.09660	6.9
115.03905	2.3
116.04989	1.0
118.06500	0.7
120.04475	0.5
120.08082	5.2
122.02760	0.5
122.06001	7.1
122.09681	1.0
124.07574	13.7
124.08418	0.9
127.03924	1.5
132.08124	0.5
134.05980	2.8
135.04338	0.5
136.07571	5.9
137.05954	0.9
138.09126	10.5
144.04459	1.5
145.05035	0.8
146.06004	2.6
148.07561	3.0
150.05467	2.7
150.09135	1.8
152.07027	3.0
153.88599	0.5
160.03922	2.0
162.05473	0.8
163.03880	0.7
164.07086	0.5
166.08615	15.5
172.03960	3.2
173.04721	1.7
174.05458	3.7
176.07054	0.7
186.05499	0.6
190.04961	15.4
191.05705	1.2
197.11754	0.5
204.06526	9.3
204.08295	0.7
207.10335	0.5
207.58696	0.5
209.08304	0.5
210.09111	0.7
222.09105	3.1
223.12332	0.8
234.09116	1.1
235.08501	0.5
236.07100	1.0
236.09381	0.9
237.10292	0.7
238.08560	0.7
239.08145	0.6
239.11748	0.8
248.07025	0.5
249.10182	2.3
250.08626	5.2
250.11018	1.0
251.08022	3.7
251.11809	1.2
252.06451	0.7
252.08809	1.1
255.08966	0.6
262.08643	1.3
264.06491	0.6
264.09030	0.9
265.09753	1.3
266.08038	0.8
266.10571	0.5
267.08585	0.5
267.11227	2.7
268.09647	1.0
277.09662	5.5
278.08011	2.5
278.10678	0.6
279.11237	4.6
283.10788	0.5
295.10751	6.6
296.11279	0.6
297.12320	8.5
300.10132	1.2
305.09375	1.3
306.07419	2.1
307.10675	2.2
311.10220	2.3
323.10330	4.4
324.10901	0.5
325.11783	31.8
326.12201	0.6
329.11459	0.7
337.11771	0.8
338.10257	1.7
343.12830	5.1
347.12326	0.8
355.12839	31.5
356.13330	1.3
357.14474	1.3
371.23187	0.5
394.63828	0.6
430.17764	1.1
448.18774	0.7
476.18283	2.1
480.21283	0.9
487.17017	1.7
490.20090	0.7
508.20685	23.6
509.20761	1.5
604.35571	0.5
642.27045	0.9
670.25952	100.0
671.26440	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	670.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
57.03422	5.4
67.05508	1.3
67.76099	1.2
69.03426	20.8
69.66235	1.3
70.03705	1.3
70.67461	2.3
78.98409	1.4
81.03403	3.8
81.07026	1.9
85.02886	20.1
87.04451	15.9
91.05497	2.1
97.02876	21.8
97.63493	1.5
103.05467	1.9
107.04955	2.3
115.03928	20.0
115.05446	5.6
122.03654	2.8
127.03935	3.4
127.74649	1.4
129.06976	3.4
131.04909	3.8
133.04945	23.1
133.10080	1.8
137.05965	77.3
139.03912	1.7
143.04893	10.8
145.02837	1.5
145.04970	1.9
146.06058	2.2
147.04369	2.3
149.05981	1.6
150.07607	2.7
151.03947	1.9
151.07553	1.6
153.05446	1.8
157.06471	3.8
160.05191	14.3
161.05942	5.0
161.09605	2.5
163.03845	1.5
163.07509	2.0
165.05453	1.5
167.06921	1.6
172.05186	1.4
174.06718	1.7
175.07526	100.0
176.07903	2.4
177.05540	2.7
179.07016	2.5
179.10767	1.4
187.07513	34.8
189.09058	7.2
192.06595	1.5
203.06827	1.5
203.08612	1.9
205.08606	25.2
217.08582	3.4
235.09621	35.5
250.10832	1.3
251.10527	1.6
263.10635	2.6
271.09674	3.7
279.10278	2.2
291.10101	5.1
311.12732	2.7
323.12689	7.0
341.13751	9.8
461.76227	1.5
508.15207	2.1
670.20807	3.3
671.19269	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	670.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01873	3.4
57.03427	4.2
58.47051	1.1
61.02902	3.9
65.03923	1.3
67.05506	2.5
69.03422	15.0
70.06588	4.5
71.04986	3.7
73.02902	4.9
79.05517	3.1
81.03413	10.0
81.07043	4.9
84.04472	1.6
85.02894	60.1
85.06503	2.1
86.09689	2.8
87.04460	1.9
91.03953	3.2
91.05466	12.1
93.07032	2.7
95.04951	3.5
95.08589	3.4
96.08113	2.2
97.02887	19.7
99.04439	4.4
101.20121	1.7
103.03928	39.7
103.05442	3.4
105.07003	3.4
107.04971	4.7
107.08591	3.5
108.08138	1.9
109.02873	9.0
109.06519	3.1
109.10152	3.4
111.04464	2.3
113.02351	1.7
115.03917	4.8
115.05451	2.3
116.58875	1.2
117.06995	1.3
119.04956	8.3
120.08122	3.2
121.06479	3.5
121.10136	1.8
122.03629	3.8
123.08067	2.1
124.07536	1.4
127.03896	19.3
129.06970	6.5
131.04910	6.0
133.06487	1.8
135.04453	1.2
135.08061	4.4
136.07545	2.6
137.05962	72.3
137.09567	1.7
138.06464	1.1
138.09155	1.7
145.04939	21.9
145.06181	2.2
145.06442	2.0
146.06032	4.6
147.04405	2.8
148.07477	1.2
149.04462	4.7
149.05974	7.8
151.03903	3.5
151.07524	55.4
152.07034	2.0
157.05183	1.4
157.06447	7.2
160.03954	1.5
161.05986	12.3
161.09610	3.3
163.03885	3.5
163.06152	2.7
163.07510	20.3
165.06970	3.2
165.09160	4.0
166.08586	3.5
167.08508	7.9
172.03882	2.3
173.05919	1.3
174.05450	1.3
174.06784	4.0
175.07521	13.5
177.09105	9.7
178.07669	1.5
179.07039	1.3
181.06606	1.5
185.04388	1.6
187.07616	1.8
189.09079	21.8
190.04930	2.5
193.06482	3.0
193.10162	2.3
195.08051	12.7
195.10123	3.1
201.09216	2.3
203.07019	1.5
203.08678	2.0
205.08624	1.8
207.10129	4.0
209.07980	2.3
209.09717	1.6
210.06769	1.9
219.10161	10.2
221.06007	4.4
221.09604	6.6
223.07544	7.1
224.08391	1.7
225.08983	2.8
227.10608	16.2
229.08798	1.4
237.09039	2.9
238.06325	1.4
240.07651	2.4
249.09055	3.7
249.11333	3.5
253.08333	6.2
253.12253	8.4
255.10100	16.1
261.11377	2.7
263.07523	5.1
265.08612	3.3
267.10193	5.3
269.08121	2.0
270.08978	1.4
277.08682	1.4
281.08994	1.5
281.11792	4.5
284.10541	1.6
285.11243	11.4
287.12692	25.5
291.10034	1.7
293.08652	2.5
293.11740	2.2
297.11325	4.7
299.12762	6.1
309.11380	1.9
311.12714	9.2
313.14288	25.0
315.12451	1.4
325.14490	1.5
328.29520	1.4
331.15341	100.0
332.15594	3.8
335.12637	2.3
337.14502	1.6
341.14047	2.9
343.15427	28.4
349.14166	1.4
353.13727	3.4
355.15384	5.5
356.15024	1.5
365.13568	1.5
367.15411	3.6
379.15060	2.4
382.77621	1.3
385.16116	2.2
397.16293	2.8
403.15457	2.9
421.16406	12.3
439.17477	3.7
473.15131	2.7
569.19653	1.7
577.52985	1.5
587.21295	2.2
602.20697	1.4
605.21991	3.7
620.21875	2.9
638.23395	11.3
664.08606	1.4
670.24731	5.3
670.35547	1.8
671.19989	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	670.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
54.92753	0.4
55.01865	3.3
55.05502	1.9
57.03414	1.0
59.04990	1.4
61.02919	0.5
66.49922	0.4
67.05492	3.4
69.03419	28.2
69.07063	2.9
69.90164	1.3
70.51875	0.4
71.04977	1.1
73.02899	1.5
79.05489	1.9
81.03419	2.5
81.07043	8.8
83.04983	0.8
83.08602	1.5
85.02892	6.5
85.06525	0.9
87.04454	3.6
91.05470	3.0
91.17533	0.4
93.07031	2.8
95.04964	0.8
95.08597	10.4
96.08950	0.5
97.02877	42.0
97.06506	1.4
97.10148	1.1
98.03230	0.4
98.23381	0.6
99.04454	0.7
99.08058	0.8
103.63071	0.5
105.07018	2.4
107.08576	1.4
109.02885	2.5
109.03587	0.3
109.03845	0.3
109.06481	0.7
109.10152	1.6
111.08046	0.6
115.03913	100.0
116.04233	1.0
117.07001	0.4
119.08553	4.0
121.10107	1.8
123.08043	0.9
123.11693	0.5
127.03898	4.8
133.04948	8.8
133.10068	2.1
135.11703	1.6
137.05942	1.0
137.09586	0.6
137.13258	1.3
145.04924	1.8
147.57857	0.4
149.13268	0.6
151.07497	0.8
151.14796	0.7
151.83717	0.4
161.13228	7.1
179.14282	7.9
187.05995	1.1
193.04846	0.5
197.15344	5.0
215.16367	2.3
241.07057	0.7
246.34988	0.4
259.08044	4.9
275.48782	0.4
277.09137	10.5
282.84082	0.4
299.18442	2.1
305.17194	0.7
311.18463	39.7
312.18860	1.3
321.30441	0.5
323.18509	0.8
329.19513	16.3
330.19806	1.1
437.21143	0.5
455.22757	1.1
652.85095	0.4
670.35400	3.5
671.36560	0.5
678.19330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37104	6.2
55.01847	9.2
55.05497	22.6
57.07074	14.0
60.59152	6.3
67.05494	100.0
69.03419	22.5
69.07066	34.4
79.05475	30.0
81.03397	24.6
81.07048	99.3
83.08615	29.9
87.04395	8.7
91.05450	40.0
93.07026	64.1
95.04974	9.2
95.08595	84.4
97.02873	42.8
97.06488	8.0
97.10170	12.8
105.07018	24.9
107.08579	26.9
109.02853	10.7
109.10123	34.1
115.03919	90.7
117.07008	8.3
119.08575	21.2
121.10115	24.5
123.11726	10.7
125.09628	9.2
127.03896	12.6
129.06990	8.9
131.08565	17.9
133.10118	20.6
135.11642	9.5
145.06453	7.0
145.10115	8.8
147.11687	17.9
149.13243	8.8
159.11696	9.2
161.13260	9.0
163.14850	8.6
175.14861	9.3
187.14722	6.9
199.14738	9.7
210.14314	6.0
243.21088	8.3
245.22552	28.1
261.22141	11.0
263.23734	24.3
271.78607	5.8
310.25183	6.7
317.25031	7.7
329.24817	7.0
341.24625	15.3
353.24710	9.7
359.25623	34.0
371.25797	17.4
377.26971	42.9
389.26782	8.9
485.28665	13.5
503.29736	22.0
521.31116	8.4
544.24487	11.1
587.22742	8.1
588.23077	43.0
620.25989	40.0
638.26813	11.4
670.30225	10.6
670.49908	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	32.3
57.03430	8.3
57.07075	14.0
61.02922	28.3
67.05496	32.9
69.03407	4.3
69.07061	51.2
71.08646	9.3
73.02900	6.5
75.30338	3.7
79.05473	14.7
81.07047	54.1
83.08610	39.1
85.02898	34.9
85.10142	3.2
91.03942	21.7
93.07053	24.7
95.04973	4.0
95.08598	41.7
97.02894	12.9
97.06545	9.6
97.10152	24.5
99.04433	3.0
107.08578	19.0
109.10141	15.6
111.08095	6.9
111.11716	7.1
121.10126	43.8
123.11711	13.4
127.03880	10.3
135.11671	37.9
137.13249	13.2
145.04935	12.0
149.13258	13.7
163.06007	23.2
163.14772	5.6
219.21060	40.8
237.22101	100.0
249.02052	2.9
255.23233	26.1
290.28641	3.3
311.25742	98.1
311.29333	6.8
329.26852	63.5
330.27084	3.3
434.52896	3.5
473.31238	7.1
630.58765	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	670.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20127	1.6
53.83117	1.8
55.05503	23.7
55.60688	1.7
56.49162	1.7
57.03416	9.3
57.07072	15.0
58.06616	1.6
61.02634	2.1
61.02918	30.3
64.02526	1.5
65.12539	1.6
66.22801	1.7
67.05495	34.5
69.03425	4.2
69.06709	2.7
69.07056	39.8
69.20959	12.1
71.04985	2.9
71.08608	6.9
73.02901	7.6
75.04470	2.7
77.07462	1.5
79.05479	18.9
81.03369	1.6
81.06568	2.2
81.07044	44.4
83.04966	2.3
83.08611	32.5
85.02896	27.8
85.06537	2.8
85.10136	3.5
91.03944	25.4
91.05434	3.1
93.07034	23.0
95.08013	2.9
95.08588	31.8
97.02884	13.6
97.06512	9.6
97.10150	20.0
99.08050	2.1
107.08580	17.2
109.10126	14.1
111.08055	6.7
111.11678	3.3
115.11195	2.0
121.10136	42.0
123.11689	12.7
125.09581	2.5
127.03933	11.1
134.06131	2.1
135.11668	31.9
137.13194	10.2
139.11150	3.4
143.10614	2.4
145.04948	15.8
149.13260	12.4
152.06990	2.5
153.12633	3.1
163.05994	23.2
163.14769	5.6
177.16414	3.5
219.21036	36.8
237.22096	100.0
238.22420	3.2
255.23163	23.4
265.09171	1.7
289.43030	1.6
311.25739	80.9
312.26019	4.2
326.82007	1.8
329.26816	64.9
330.27246	3.4
345.22983	2.0
637.23187	2.1
670.25800	11.1
670.41876	11.0
671.26587	2.8
671.41602	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	671.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32507	0.7
58.06584	0.6
66.11745	0.6
69.03414	1.6
76.25534	0.6
76.66361	0.6
79.05461	0.9
81.03384	1.1
83.01020	0.7
85.02902	2.5
91.05475	1.5
97.02902	1.6
107.04935	0.9
115.03972	0.8
117.03361	0.6
119.04939	1.1
131.04948	2.2
133.02850	0.9
133.06412	0.7
137.05978	10.6
138.06389	0.9
139.03860	0.8
145.02881	1.3
147.04430	1.0
149.06012	1.4
151.03943	1.2
151.05057	1.0
151.07545	2.7
154.26059	0.7
161.05957	1.4
162.73814	0.6
163.07513	3.3
165.01614	1.2
167.07034	1.7
175.03842	1.2
175.07542	1.6
177.05486	2.7
177.09056	0.8
179.07018	1.0
181.04951	0.7
189.09314	0.7
201.05464	5.5
203.07008	0.7
205.08524	0.7
234.06842	1.2
255.09885	0.7
257.52673	0.6
264.85254	0.7
277.08435	1.1
297.51465	0.7
299.07394	1.4
309.11115	0.8
311.12750	0.8
331.15396	0.9
343.02640	0.6
355.11838	2.8
355.15692	0.7
359.07019	1.2
361.08871	1.2
396.29480	0.8
445.10934	1.6
459.09341	0.7
473.10477	7.8
474.11203	1.5
475.12250	1.9
487.12256	1.5
491.20593	1.4
499.16302	0.8
509.21994	1.0
586.20526	0.7
671.19293	100.0
672.19464	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	671.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93962	0.3
67.05488	0.4
69.40550	1.4
95.04984	0.3
97.84393	0.3
102.41119	0.3
103.05458	0.4
105.06999	0.4
109.31331	0.3
111.04157	1.2
136.38997	0.4
137.05956	2.0
149.06042	0.4
151.03812	0.5
151.07500	0.4
159.25584	0.3
165.09146	0.4
175.03699	0.3
177.05417	0.5
177.09116	0.3
189.05196	62.6
190.05960	6.9
191.03314	0.5
192.03609	0.4
205.04791	0.9
207.06343	0.5
247.09357	0.4
309.11276	0.3
356.12253	0.4
411.14911	0.4
426.16449	0.7
429.15161	7.6
429.20691	0.5
443.16534	0.5
444.17456	7.2
445.18069	0.9
457.18604	0.6
586.04376	0.3
656.23584	0.4
671.26697	100.0
672.27063	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	671.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30394	0.3
55.05509	2.6
63.00846	0.3
67.05487	1.5
68.99778	0.5
69.03416	1.6
69.07034	0.5
71.42758	0.3
72.31331	0.3
72.31744	0.4
79.05479	1.2
81.07037	2.9
83.01322	0.9
83.04971	13.8
91.05464	2.5
93.07032	4.4
95.04944	1.5
95.08580	2.4
97.06509	0.4
101.94915	0.3
103.05454	0.6
104.10718	0.4
105.04471	0.4
105.07021	1.6
107.04945	0.9
107.08579	1.9
109.06500	1.4
109.10132	1.1
115.05471	0.5
117.06953	0.4
119.04900	0.6
119.08553	0.8
121.06486	5.3
121.10143	1.4
123.08058	3.9
123.11689	1.1
125.09576	0.4
129.06967	0.4
131.04904	5.0
131.08530	0.5
133.02856	0.4
133.06444	0.6
133.10106	1.7
134.03624	0.7
135.08040	1.7
145.06447	0.4
147.04390	1.9
149.02309	0.7
149.05962	2.9
151.11160	2.9
155.67680	0.3
159.04411	1.8
161.05933	0.7
162.03098	6.9
163.03894	0.4
163.07497	0.5
164.59686	0.3
165.05447	1.3
167.07051	0.9
167.08432	0.5
171.04396	0.5
173.06035	0.5
175.03917	0.3
175.07565	0.9
176.04614	0.5
177.05469	2.6
179.06995	1.0
189.05496	1.8
190.02582	17.8
191.07001	1.4
192.04066	0.5
193.04962	2.4
195.08031	0.5
199.03847	1.2
203.03348	0.9
203.07030	0.7
204.04126	0.5
205.04930	100.0
206.05276	1.8
207.06506	7.5
207.10014	1.8
209.09613	0.4
213.05418	1.3
217.04919	1.2
217.08542	0.6
219.06487	12.8
223.07428	0.6
225.09198	0.4
227.10475	0.5
228.04169	0.9
229.04849	0.4
230.05685	0.4
231.06459	1.7
233.08055	2.6
235.05893	0.5
241.08707	0.4
243.06528	3.7
243.10080	0.5
245.08083	5.8
245.11659	0.4
246.07742	1.0
247.06087	1.8
247.09569	1.9
257.07974	0.4
259.05927	0.4
259.09607	1.2
261.11151	0.8
271.09592	3.4
273.08423	0.6
273.11087	2.9
283.09619	1.7
285.11267	2.2
295.13193	0.5
297.11078	1.3
299.12735	5.8
300.13492	0.4
309.11118	2.2
312.32690	0.4
325.10571	1.0
325.14240	4.2
327.12238	15.7
327.15814	1.9
328.12674	0.5
329.17395	1.3
343.11203	0.6
343.15350	11.0
345.16891	0.4
363.15915	0.5
381.16583	0.8
386.09167	0.5
432.09854	0.4
451.17270	0.9
467.27737	1.1
515.20203	0.7
533.21613	4.9
635.30615	0.4
653.31262	2.8
671.31476	6.9
671.41107	0.7
672.31464	0.5
701.10175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45382	0.3
53.12780	0.3
54.82704	0.3
54.90474	0.2
58.92257	0.3
69.95589	0.8
77.17440	0.2
77.97493	0.2
88.14577	0.2
102.20863	0.2
102.27692	0.2
113.59399	0.3
185.04227	0.9
203.05177	0.4
245.02080	0.3
259.07861	0.5
329.92978	0.3
347.09570	1.4
421.13364	0.3
443.14175	0.3
509.27136	16.0
510.27466	1.0
670.51044	0.4
671.32324	100.0
672.32544	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	671.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08325	0.2
67.05499	0.4
70.55107	0.6
71.53418	0.2
81.07049	0.3
86.54371	0.2
92.63742	0.2
100.95873	0.2
112.16633	0.2
178.32161	0.3
185.04239	0.6
189.06490	0.3
189.31325	0.3
203.05270	1.6
248.67020	0.3
259.07983	0.9
305.08499	0.7
347.09436	1.6
365.10394	4.4
382.74307	0.3
421.13138	1.8
509.27173	15.6
510.27527	1.1
671.32349	100.0
672.32593	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	671.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	6.9
55.05507	22.0
57.07066	20.0
67.05496	41.6
69.07063	54.1
69.17790	30.0
71.08624	8.0
79.05507	6.8
81.07042	98.6
83.08630	36.3
85.02892	28.0
85.06524	15.4
93.07045	15.2
95.08593	100.0
95.48724	6.1
97.02872	9.5
97.10150	24.9
99.08073	11.1
107.08586	20.9
109.10155	81.1
111.11716	9.5
113.09641	7.3
113.95440	5.8
121.10111	10.9
123.11698	34.4
125.13279	12.4
135.11662	15.3
137.06001	15.4
137.13208	13.7
139.11113	5.6
145.04854	6.6
149.13245	15.7
151.14806	15.3
163.03935	7.2
163.06020	7.0
163.14836	10.5
165.16344	8.7
191.17926	7.2
193.98253	5.3
235.96754	6.2
239.11208	5.5
248.56264	6.0
275.27341	12.4
281.28381	17.8
281.70264	6.2
293.28278	51.2
299.29324	9.6
311.29367	20.2
329.30475	11.3
347.28647	6.1
538.90326	6.5
671.26715	12.8
671.34363	8.9
672.35889	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	671.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	27.1
57.07062	12.5
58.09133	5.6
63.52668	5.5
67.05484	36.3
69.03410	11.1
69.07050	54.9
69.15627	40.3
79.05489	13.7
81.03373	7.9
81.07043	93.5
83.08605	34.5
85.02889	21.8
85.06518	11.3
91.05517	7.9
93.07039	26.0
95.08582	100.0
97.02891	7.3
97.10156	29.0
99.08067	15.9
105.07007	9.0
107.08576	19.2
109.02896	7.4
109.10129	59.0
111.11715	17.0
115.03951	7.3
121.10132	15.0
123.11671	35.0
127.03940	9.5
131.04945	6.0
135.11665	13.1
137.05962	15.5
137.13254	19.4
145.04997	6.7
149.13277	16.7
151.14781	15.7
163.14807	9.6
206.87917	5.7
275.27267	14.5
281.28394	15.2
293.28339	51.7
299.29318	12.6
311.29361	31.5
491.59683	7.0
671.26019	25.3
671.35260	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	672.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01867	11.4
57.03423	2.7
59.04988	2.0
69.03425	16.6
69.25772	5.2
71.01340	0.9
71.04980	1.2
73.02910	2.4
75.83144	0.9
79.05531	0.9
81.03411	6.4
85.02897	9.3
85.26758	0.9
87.04441	8.7
91.05468	6.1
93.07047	1.2
95.04906	1.2
97.02881	17.6
99.04417	2.0
103.03925	2.3
103.05471	2.7
105.07012	6.5
107.04925	4.4
109.02859	4.9
111.04418	1.6
115.03912	100.0
116.04240	1.5
119.04919	6.7
121.06479	1.1
122.03651	1.3
127.03914	7.2
129.06992	2.5
131.04892	6.4
133.02826	1.1
133.04951	5.3
133.06474	8.2
135.08026	2.2
137.05959	33.9
140.99867	0.9
143.04892	3.9
145.04938	1.5
145.06462	2.0
147.04378	5.8
149.05927	5.1
151.03877	1.3
151.07529	11.0
157.05225	1.1
157.06419	5.4
159.04329	1.1
160.05209	1.4
161.05949	16.7
161.09605	2.4
162.06586	1.8
163.03906	1.6
163.07471	11.6
163.11142	1.5
165.09123	6.7
169.05232	0.9
169.06496	3.9
171.04317	0.9
173.05992	1.2
174.06708	1.8
175.06100	0.8
175.07503	18.1
177.05418	2.8
177.09065	1.6
179.07031	6.8
181.08554	3.3
183.04417	1.4
185.05968	1.3
187.06042	1.6
187.07474	5.0
188.04666	1.2
189.05469	0.9
189.09084	12.5
191.05479	0.8
191.06938	5.0
195.08000	1.2
197.06009	2.4
199.07553	2.1
201.05530	1.1
201.09052	2.0
202.06285	1.1
203.06992	25.8
203.08864	1.5
205.08643	1.3
207.10152	12.6
213.05478	2.1
215.06975	5.7
217.06903	1.6
217.08607	14.7
219.10124	3.2
227.07034	2.7
227.10649	1.4
229.08591	7.9
231.06474	1.9
231.10156	1.0
233.08031	3.4
235.09595	5.6
241.08664	2.6
245.08046	25.4
247.09785	2.3
249.11157	1.6
253.08629	1.1
255.10126	1.4
257.08090	7.2
259.08167	3.7
263.09109	29.3
269.08096	1.6
273.11261	4.4
275.09164	7.5
277.09106	2.8
285.11362	1.4
287.09509	1.4
287.12790	3.3
291.12350	4.2
293.10199	3.3
297.11191	1.5
299.12778	1.0
305.10452	1.1
311.12753	1.5
313.14346	4.4
325.14542	1.4
331.15430	10.6
343.15338	3.6
371.11102	1.6
389.12088	4.6
407.13306	10.5
419.13492	1.8
421.16220	1.2
426.78952	1.0
437.14087	2.7
451.17590	2.1
482.06076	1.0
602.67017	1.0
673.19910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70733	0.5
53.03935	0.6
54.17868	0.4
57.03438	3.2
59.04972	0.7
60.04533	1.1
69.03063	0.7
69.03423	12.2
70.06557	0.5
70.77900	0.8
79.05464	0.8
81.07018	0.6
85.02893	7.2
87.04454	6.0
91.05471	8.2
93.06995	0.7
94.04200	0.6
95.04940	2.4
97.02880	8.8
99.04419	0.6
103.05446	1.4
105.07014	1.5
107.04902	2.4
109.02834	0.7
109.06492	1.0
110.04406	0.5
115.03916	8.6
115.05381	0.7
117.07004	1.0
119.04929	6.6
121.06480	1.9
122.03620	2.1
123.08049	0.9
126.73731	0.4
127.03902	0.9
128.06178	0.8
129.06984	4.2
131.04900	4.0
133.04951	8.4
133.06439	1.2
135.04465	0.5
135.07982	2.5
136.05199	0.5
137.05959	39.5
145.02826	0.7
145.04898	0.9
145.06470	1.3
146.03540	0.8
147.04321	0.9
148.05147	0.7
149.05954	8.0
150.07611	2.8
151.03876	2.0
151.07520	46.7
152.06143	0.8
152.07826	0.8
157.06488	4.9
161.05930	6.1
161.09549	1.3
163.03853	1.6
163.07518	17.4
165.06967	1.5
165.09103	1.9
167.07123	0.9
167.08539	4.0
174.06744	2.9
175.07526	5.8
177.05527	0.7
177.07468	0.9
177.09082	15.1
178.07797	1.1
179.07021	1.0
179.08508	1.2
181.06488	0.5
181.09995	0.6
182.07178	0.7
187.07497	0.7
189.09074	16.4
191.07077	0.9
193.06448	1.6
193.08450	0.5
193.10069	2.5
195.08047	9.5
195.09888	1.1
196.08807	0.7
197.05891	0.6
201.09052	0.7
202.07646	0.6
203.08600	1.1
203.10493	0.5
206.07155	0.6
207.08214	0.8
207.10048	2.7
209.09602	1.3
210.06718	1.0
211.07571	0.8
212.08266	1.4
219.08229	0.7
219.10110	2.6
221.05983	2.9
221.09590	3.9
221.11707	3.7
223.07550	4.5
224.08301	1.4
225.09055	3.1
227.10634	14.9
237.09061	1.3
238.06313	0.9
239.06923	0.8
240.07829	1.1
249.09068	2.5
249.11263	1.2
250.09621	0.7
252.07755	0.8
253.08528	6.1
253.12183	6.7
255.10159	13.6
261.08975	0.7
265.08472	1.1
267.10257	2.7
269.08099	2.3
269.11810	0.6
270.08719	0.9
272.10452	0.8
277.08691	0.8
281.11713	3.1
285.11188	9.8
287.12747	23.7
288.13058	1.1
293.11514	0.7
297.11224	1.0
299.12842	2.5
301.14444	1.3
311.12640	2.7
313.14273	20.5
331.15335	100.0
332.15652	2.7
341.13855	1.0
343.15317	6.9
355.15347	1.0
359.58890	0.6
409.16455	1.6
427.17273	0.7
445.18524	1.1
463.19690	1.5
672.18018	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	672.416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61501	0.7
55.05508	5.6
57.03432	3.8
57.07066	44.5
59.55946	0.8
61.02919	14.7
62.66627	0.9
66.40372	0.7
67.05499	9.6
69.03415	2.4
69.07056	9.1
70.96903	0.6
71.08622	32.9
72.08946	0.8
72.79149	0.7
73.02914	5.2
75.04475	2.6
79.05489	0.9
80.65389	0.8
81.07043	17.8
83.04968	2.0
83.08607	12.4
85.02886	21.6
85.09689	1.3
85.10173	20.6
86.79279	0.8
89.06023	1.6
91.03944	14.4
91.05470	1.1
93.07014	2.2
95.08592	28.0
97.02880	8.8
97.10175	5.5
98.22720	2.5
99.04438	2.0
99.11707	1.7
102.25130	0.7
103.07577	0.9
107.08553	0.8
109.10143	12.2
111.11716	1.3
115.03865	0.9
121.06499	2.0
121.10073	1.2
123.08084	1.0
123.11703	7.4
127.03880	5.8
131.04964	1.2
137.13246	2.0
143.04933	0.8
145.04953	8.6
162.03072	1.6
163.03723	1.0
163.06003	13.0
165.05473	1.1
171.04413	1.1
177.05481	0.8
180.96443	0.8
186.26587	0.7
189.05482	1.1
190.02609	5.0
193.08708	1.0
199.03894	2.0
203.07027	0.9
205.04933	33.9
206.05255	5.1
207.06671	1.0
219.06491	3.0
219.81154	0.8
221.22583	1.3
231.06552	1.7
239.23659	24.4
245.07915	1.2
247.09737	1.0
257.24686	4.2
259.05984	0.9
286.14401	0.9
298.11530	1.0
299.12759	0.8
307.86411	0.9
313.27319	100.0
314.27737	3.0
327.15845	3.6
328.16138	1.5
331.28354	36.3
332.28546	1.4
345.16968	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	4.2
55.05506	5.6
57.03426	8.1
57.06816	4.0
57.07072	49.6
61.02911	11.8
67.05492	13.4
69.03413	11.5
69.07051	12.5
69.25463	18.9
71.08630	33.4
73.02905	6.7
75.04483	3.4
75.75181	3.7
81.03400	8.9
81.07044	24.1
83.08601	19.2
85.02898	33.0
85.10169	24.8
91.03928	14.6
93.05508	16.5
95.08606	39.3
97.02886	20.2
97.10133	6.6
99.04465	3.9
102.09196	3.8
109.02817	7.8
109.10159	17.8
114.83584	3.1
123.11682	7.4
127.03893	26.0
137.13254	3.2
145.04916	19.7
163.06015	14.9
207.06508	3.8
239.23660	30.8
277.57806	3.2
336.78006	3.0
383.27875	27.9
401.28928	100.0
402.29037	4.1
422.20526	4.0
537.30566	5.4
609.63251	3.8
672.37433	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	672.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72498	1.4
53.54112	1.3
55.05499	6.0
57.03426	10.0
61.02914	4.3
63.36012	1.3
65.03942	2.3
67.05495	37.6
69.03410	1.5
69.07064	8.7
69.07384	1.5
71.44713	1.9
73.02901	2.2
79.05482	18.8
81.03425	1.4
81.07035	22.7
83.08619	4.5
83.49474	1.4
85.02908	2.8
85.88313	1.3
87.40313	1.3
91.03931	1.3
91.05462	9.5
93.07033	22.3
95.04963	5.3
95.08591	100.0
96.08895	2.2
97.02871	2.2
97.06497	3.9
105.03345	7.7
105.04485	2.5
105.07026	9.6
107.08591	10.4
109.10113	8.1
117.06987	2.7
119.08581	6.8
121.10121	8.9
123.11630	1.9
131.08528	4.3
133.10143	3.5
135.11673	4.9
141.09087	3.2
145.10095	5.2
147.11664	3.3
149.05951	9.0
149.13257	2.4
159.10146	10.2
159.11502	3.1
163.14746	2.0
173.13260	2.8
175.07259	1.7
213.11174	2.9
215.12753	50.0
216.13226	1.5
243.21092	3.5
261.22137	14.5
317.24872	2.0
335.25739	48.0
336.25943	1.7
383.29578	1.8
475.34201	31.4
476.34814	3.2
533.14331	2.8
672.41284	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	672.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.05496	5.9
57.03428	9.8
57.07062	1.1
58.24240	0.6
61.02916	3.6
65.03917	0.9
66.26070	0.8
67.05495	34.7
68.05812	0.7
69.03400	0.9
69.07051	7.6
69.65995	1.4
69.66336	2.4
73.02908	1.0
79.05042	0.9
79.05481	13.7
81.03391	0.8
81.07043	21.5
83.04940	0.8
83.08604	3.7
85.02894	1.7
91.05465	6.8
93.07033	18.7
93.35786	0.8
95.04945	2.4
95.08589	100.0
96.08923	1.3
97.02879	1.0
97.06515	2.7
97.10110	0.8
103.03918	0.8
105.07018	5.9
107.08582	7.9
109.10139	5.5
111.08053	0.8
113.09612	0.8
117.07019	1.4
119.08578	3.5
120.52787	0.8
121.10110	6.4
123.08087	2.2
123.11672	2.3
131.08572	3.4
133.10110	3.1
135.11688	5.8
141.09087	4.2
145.10118	2.5
147.11688	2.5
149.13239	2.8
159.10165	13.4
159.11606	2.0
161.13200	1.8
163.14760	2.3
173.13246	1.5
187.14742	1.1
213.11191	2.7
215.12749	59.2
216.13052	1.2
243.21040	3.8
261.22107	11.3
317.24701	2.3
335.25745	46.9
336.26089	1.7
401.30731	1.0
475.34140	19.7
476.34448	1.1
493.34973	2.2
522.63739	0.8
608.26642	0.8
672.26941	3.0
672.42188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44906	1.6
55.05512	4.6
57.07069	33.7
69.07059	4.6
69.62422	5.9
71.08626	30.7
72.12337	1.8
73.06549	10.6
83.08625	3.3
83.65268	1.8
85.10165	13.4
87.04443	8.3
89.06022	100.0
93.84581	1.6
97.10150	4.5
98.22752	3.8
99.11717	3.5
113.13281	2.1
117.09125	5.2
121.43296	1.7
125.13251	2.3
127.14819	2.2
131.07059	2.1
133.07590	2.9
133.08589	53.4
141.16438	2.3
158.72849	1.7
177.11220	22.5
197.22630	2.0
221.13757	3.5
239.14861	2.2
241.25235	2.5
285.27914	5.8
307.96817	1.8
329.30383	3.5
334.90604	1.9
401.02942	1.9
459.28128	3.1
460.47275	1.9
527.13538	2.1
655.49542	3.6
672.52460	2.3
673.26227	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98045	0.3
57.11141	0.3
65.39077	0.3
69.03410	0.4
69.59953	1.3
70.06569	0.5
84.08118	2.3
86.09706	1.3
97.02880	0.4
107.08544	0.3
115.03854	0.5
129.10240	2.3
131.90529	0.4
136.07578	0.3
139.03677	0.6
151.38007	0.3
163.03899	0.5
211.90604	0.3
278.04486	0.3
283.07883	0.4
296.09042	0.3
299.07291	0.4
358.97647	0.3
369.11389	0.9
413.10541	4.8
415.12152	3.2
557.14984	0.4
559.16699	0.4
645.19830	0.8
673.19360	100.0
674.19550	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	673.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06801	0.4
53.22606	0.3
57.35727	0.3
58.20578	0.3
69.64827	1.0
70.24444	0.4
121.02623	0.6
137.02126	0.7
137.05991	1.4
138.02905	1.2
139.03841	0.6
141.05180	0.6
160.63049	0.4
165.01622	1.7
166.82947	0.4
167.03146	1.1
174.06491	3.0
177.05496	0.7
177.09050	0.4
185.04248	0.5
189.07423	0.4
205.04723	1.5
219.06284	0.4
220.33548	0.4
281.06314	7.1
343.07947	0.4
345.09528	1.2
349.08826	0.4
363.10428	2.8
379.10165	1.4
415.95691	0.4
447.12408	2.0
455.24640	0.4
461.10574	3.1
475.12033	1.9
476.12732	1.5
477.13773	1.7
489.13712	1.7
673.20874	100.0
674.21069	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	673.2095
Annotation	Mucusisoflavone A
Peak:m/z	Relative Intensity
58.42242	0.3
76.10098	0.3
121.02677	0.5
136.50388	0.3
137.02071	0.4
137.05994	0.9
138.02887	1.3
141.05217	0.7
148.87061	0.3
151.03894	0.6
151.05063	0.6
151.07498	0.4
159.04146	0.5
159.25327	0.4
163.07468	0.4
165.01566	1.6
167.03159	0.8
174.06499	2.3
177.05470	0.8
177.09052	0.5
185.04254	0.6
205.04759	1.4
218.05434	0.3
219.06247	0.8
219.10333	0.3
281.06265	7.3
299.13065	0.4
323.07233	0.3
332.15524	0.6
335.11005	0.4
345.09552	0.8
363.10443	2.3
379.10135	0.9
415.13586	0.4
447.12503	1.6
461.10532	2.4
475.12256	2.6
476.12756	1.3
477.13797	1.1
489.13803	1.1
613.19476	1.2
625.18774	0.6
673.20874	100.0
674.21216	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	673.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07309	1.5
57.07074	2.9
60.70967	1.5
67.05478	2.2
69.03394	1.6
69.72857	5.3
78.14899	1.5
81.07041	1.7
85.10196	1.4
91.05486	1.8
109.16203	1.6
168.69354	1.8
198.97418	3.0
278.59048	1.5
313.27164	2.8
314.36328	1.9
318.93210	1.8
400.15323	2.0
413.15939	1.9
414.15878	1.9
415.15570	2.0
421.12747	3.6
422.13699	9.2
423.14606	8.1
424.15167	2.4
427.18109	2.1
428.18015	6.3
429.16629	2.9
435.08810	1.6
435.14478	6.1
436.15314	9.4
437.16223	16.5
438.16791	4.7
441.15475	3.5
449.15976	2.0
450.16766	6.2
451.18530	8.9
452.18814	7.8
455.16681	4.7
456.17563	4.9
463.13928	2.4
464.14883	5.5
465.15198	6.0
465.19720	4.3
467.17020	5.6
469.14828	2.4
478.16208	6.9
479.16843	5.4
480.18210	10.7
481.18866	2.7
483.16486	2.3
484.17120	7.1
493.19009	14.7
494.18774	5.0
495.15823	7.6
496.16650	3.5
498.14835	3.1
506.16080	2.2
507.17328	2.9
508.17392	10.2
509.18027	6.0
512.16455	15.5
513.16876	3.2
521.18115	15.5
522.14929	3.8
522.17310	3.7
522.19244	3.7
525.21460	2.2
526.14117	1.8
539.18750	5.5
543.22455	2.9
549.24457	2.3
553.20648	33.8
554.20605	4.4
571.21320	6.2
581.20227	61.3
582.20129	6.2
585.23328	2.5
595.28467	2.3
597.14795	2.1
599.21466	12.0
613.22791	35.3
614.23138	40.3
615.23041	2.5
622.22766	3.4
641.22351	100.0
642.22864	11.7
645.25439	7.6
655.29816	3.5
673.24353	40.9
674.24622	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	673.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
67.05502	1.6
79.05494	0.9
81.07048	1.7
88.05624	0.6
93.07037	1.1
95.08602	1.3
98.23468	1.9
106.50973	0.6
175.45811	0.7
220.22958	0.6
266.84552	0.6
281.06400	1.0
673.31854	100.0
674.32135	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
64.43073	0.3
67.05514	2.0
67.05811	0.4
68.99792	0.5
69.07057	2.3
69.70569	1.3
71.04998	0.6
77.03921	0.5
79.05475	1.6
81.07050	2.6
83.01333	1.0
83.04963	1.1
91.05479	2.0
93.07038	3.7
93.66041	0.3
94.23722	0.3
95.04955	1.2
95.08593	1.6
96.63170	0.4
98.23385	0.5
103.05434	0.7
105.03375	0.5
105.07024	1.2
107.01293	0.8
107.04916	0.5
107.08582	2.0
107.09195	0.4
109.06506	0.7
109.10152	3.5
115.05424	1.9
117.07008	1.0
117.73840	0.4
119.04919	0.5
119.08601	0.6
121.02880	0.4
121.06498	4.7
121.10136	0.9
123.08063	3.4
123.11697	2.5
127.11164	0.7
128.06226	0.5
131.04919	3.7
133.06480	0.7
134.03607	0.8
135.08038	1.4
135.11662	1.4
143.04935	4.3
143.08479	0.5
144.05711	0.4
145.06506	0.4
147.04375	2.1
147.08067	0.6
149.02319	0.5
149.05984	2.0
151.11212	0.5
152.89311	0.4
153.12738	3.3
159.04425	1.8
159.07994	0.4
160.05159	0.4
161.05977	0.8
162.03108	6.7
163.07544	0.5
165.05519	2.7
167.07077	1.3
171.04398	7.3
173.05898	0.7
175.03957	0.6
175.07568	1.2
177.05472	2.0
179.07005	1.3
181.05011	0.6
187.03798	0.8
187.07477	0.6
188.04732	1.5
189.05431	1.2
189.09068	0.5
190.02602	14.7
191.03128	0.9
191.07034	1.0
192.04153	0.7
193.04932	1.6
195.07980	0.5
199.03894	21.6
200.04256	0.7
203.03421	0.5
203.06990	2.1
205.04953	100.0
206.05304	3.4
207.06577	5.1
207.10165	2.1
213.05461	0.8
216.04163	2.1
217.04956	1.4
217.08556	0.7
219.06497	9.7
219.09940	0.5
220.06876	0.4
227.07010	0.4
229.04945	0.5
231.06516	10.9
233.08125	2.4
235.05855	0.5
243.06506	2.2
243.10258	0.6
245.08086	4.8
246.07628	0.6
247.06007	1.0
247.09714	1.7
255.10286	0.5
259.06003	9.5
259.09573	1.6
261.11188	0.7
271.09610	1.6
272.33380	0.4
273.11227	0.9
275.12784	1.7
275.16229	1.7
277.07050	6.7
283.03757	0.4
283.09595	0.8
285.11124	2.2
299.12674	2.7
305.17422	1.1
309.11276	1.9
319.19241	0.7
325.10611	0.8
327.12207	12.5
327.15909	5.6
328.12546	0.8
328.16327	0.5
329.17456	1.2
339.15506	0.4
339.19174	0.4
345.16879	7.6
353.17419	0.7
363.15784	0.6
381.16925	0.8
383.11151	1.2
477.15414	0.5
483.17795	0.5
505.22366	0.7
515.20685	1.8
523.23126	1.2
533.21729	5.9
655.32544	2.2
673.33765	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3363
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
51.02399	0.3
53.03940	0.2
55.01871	0.4
55.05504	4.0
57.07047	0.3
61.33474	0.2
66.98153	0.3
67.05487	0.9
68.99773	0.5
69.07041	0.3
71.04974	0.5
79.05489	1.0
81.07051	1.7
83.01322	1.1
83.04971	20.9
91.05486	1.6
93.07027	3.9
95.04962	1.0
95.08578	1.5
103.05441	0.9
105.03356	0.3
105.07002	1.0
107.04916	0.4
107.08576	1.0
109.06509	0.4
109.10140	2.7
115.05377	0.4
117.07000	0.3
119.04923	0.5
119.08531	0.4
121.06493	4.5
121.10085	0.5
123.08064	3.6
123.11692	0.8
127.11179	1.0
129.06952	0.4
131.04924	3.0
133.06526	0.5
134.03604	0.8
135.08083	1.3
135.11679	1.6
147.04410	3.4
147.08047	0.3
149.05997	2.1
151.07558	0.3
153.12737	3.8
157.06410	0.3
159.04489	1.5
159.07980	0.4
161.05948	0.9
162.03114	6.0
163.03714	0.3
163.07504	0.9
165.05458	1.2
167.07016	1.4
175.03874	0.2
175.07477	0.9
177.05453	2.4
177.12683	0.3
179.07011	0.9
187.07532	0.8
189.05423	1.7
190.02589	15.1
191.03159	0.5
191.07019	2.4
192.04167	1.0
193.04942	2.3
195.08029	0.4
197.06026	0.3
197.09576	0.4
199.03889	0.3
199.07516	0.5
201.09058	0.4
203.03366	1.1
203.07024	0.5
205.04939	100.0
206.05305	2.0
207.06500	11.1
207.10057	2.0
209.09659	0.5
211.07379	0.3
211.11102	0.3
213.05438	0.8
217.04903	1.0
217.08452	0.5
219.03102	0.5
219.06494	9.7
223.07571	0.4
225.09184	0.4
227.06958	0.5
228.04140	0.5
228.07561	0.3
229.04858	0.5
231.06499	0.9
231.10083	0.4
233.08018	2.2
243.06503	4.3
243.10260	0.3
245.08069	5.7
245.11734	0.4
246.07794	0.4
247.06000	1.2
247.09581	1.7
259.09698	1.4
261.11093	0.3
271.09628	4.6
272.09854	0.3
273.11304	1.4
275.12775	1.2
283.09595	1.1
283.13104	0.3
285.11246	2.1
295.84393	0.3
297.11197	2.0
299.12772	5.5
300.12793	0.3
301.17764	0.4
305.17560	0.6
309.11160	1.9
319.18863	0.3
325.10519	0.9
327.12198	15.1
327.15891	4.1
328.12527	0.5
329.17441	0.8
331.18954	1.0
343.11829	0.4
345.16907	9.4
381.17181	1.5
401.23050	0.8
435.25745	0.3
451.17560	1.9
505.21890	0.5
515.20868	1.6
521.21173	0.5
533.13751	0.5
533.21582	7.2
534.22235	0.5
591.29657	0.4
655.32727	2.3
673.33850	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03190	0.2
54.24379	0.2
55.01857	0.4
65.03919	0.2
67.05482	0.9
68.99765	0.6
69.07048	0.9
69.70004	0.7
71.04967	0.6
78.04678	0.2
79.05482	0.7
81.07047	1.6
83.01316	0.8
83.04946	0.7
86.09678	0.8
89.54662	0.2
91.05454	0.9
93.07052	1.5
95.04952	0.5
95.08603	1.0
103.05440	0.6
105.07003	0.8
107.08569	0.3
109.06495	0.3
109.10149	2.5
119.04912	0.5
121.02852	0.4
121.06495	4.0
121.10087	0.7
123.11687	0.7
124.99987	0.4
127.11144	0.3
131.04927	2.0
133.06468	0.5
134.03633	0.6
135.11636	0.6
143.04884	0.3
143.08531	0.3
147.04378	0.6
149.02258	0.4
149.05959	2.0
153.05415	0.3
153.12718	0.5
157.06456	0.2
159.04433	1.1
161.02292	0.2
161.05887	0.5
162.03111	5.4
162.04475	0.3
163.07541	0.3
163.43947	0.2
165.05408	0.5
177.05463	2.0
184.07312	2.3
185.07678	0.4
189.05455	0.8
190.02594	14.8
191.03111	0.3
191.06999	0.6
193.04913	0.7
195.08015	0.4
199.03864	0.9
199.07591	0.4
200.04665	0.3
203.03261	0.3
203.06976	0.3
204.04137	0.2
205.04944	100.0
206.05284	2.6
207.06644	0.9
207.10211	0.4
213.05424	0.5
215.07057	0.3
217.04945	0.6
217.08600	0.3
219.06511	6.7
219.08635	0.3
221.04395	0.5
227.06946	0.4
228.04095	1.2
229.04846	0.5
231.06519	0.7
233.08041	1.8
243.04187	0.4
243.06512	5.3
243.10284	0.3
244.07126	0.3
245.08102	1.0
246.07681	0.6
247.09627	2.3
257.08063	0.3
259.09650	1.7
261.11255	0.6
271.09561	2.3
273.11130	1.1
275.12738	5.8
281.07959	0.2
283.09647	0.7
285.11212	0.7
286.53259	0.2
287.12872	0.4
297.11218	0.6
318.83444	0.2
325.10645	1.3
325.14340	0.5
327.15897	7.7
328.16162	0.3
329.17429	3.7
341.17398	0.3
343.15137	0.5
345.16943	33.6
346.17233	1.3
351.16000	0.3
353.17300	0.3
454.27676	0.2
528.36377	0.2
531.20111	2.1
533.21490	0.2
549.20917	0.3
655.32983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
58.95684	0.4
67.05491	1.3
68.99779	0.4
69.03415	0.4
69.07043	0.7
71.04974	0.8
75.60441	0.4
79.05471	0.8
81.07048	1.1
83.01323	0.9
83.04962	0.7
85.61127	0.3
86.09689	1.1
91.05461	0.9
93.07010	1.5
95.04914	0.7
95.08581	1.3
98.22662	0.6
103.05457	0.5
105.07022	0.8
107.08568	0.5
109.10136	3.0
121.06497	4.2
121.10131	0.5
123.11693	1.3
125.00032	0.7
131.04884	1.8
134.03589	0.6
137.09810	0.4
143.04979	0.4
147.04382	0.6
149.05991	2.2
153.12723	0.9
159.04379	1.0
162.03127	5.6
165.05440	0.6
175.07552	0.4
177.05426	2.2
179.64940	0.4
184.07315	4.3
189.05501	1.1
190.02586	15.2
191.03188	0.5
191.06982	0.6
193.04910	0.9
198.97392	1.7
199.03853	1.0
205.04944	100.0
206.05243	2.9
207.06487	1.3
213.05406	0.4
217.05067	0.5
219.06494	9.0
221.04350	0.9
227.07069	0.6
229.04907	0.6
231.06514	1.3
233.08055	2.1
241.08525	0.4
243.06496	0.8
245.08109	0.9
246.07703	0.5
247.09634	2.0
257.08035	0.4
259.05844	0.4
259.09583	2.1
271.09647	2.3
273.11115	0.8
275.12781	6.3
285.11148	0.8
325.14572	0.4
327.15869	9.3
329.17511	3.5
341.17288	0.6
343.15372	0.6
345.16922	34.8
346.17227	1.8
463.14160	0.5
477.15344	0.4
531.20117	0.7
533.21301	1.1
549.21326	0.9
553.24811	1.6
611.56451	0.4
655.32281	0.8
673.31262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3392
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
50.04649	0.3
55.97809	0.3
57.11257	0.3
58.73477	0.4
67.05477	0.5
69.90099	0.6
69.90466	0.7
77.60104	0.3
81.07044	0.4
83.08582	0.4
84.65255	0.3
94.33719	0.3
98.22750	0.7
118.64822	0.3
139.03810	0.4
177.08884	0.5
185.04243	0.7
203.05211	1.7
209.84566	0.3
259.07983	1.0
305.08237	0.5
347.09518	1.6
365.10382	3.7
421.13162	1.1
436.22366	0.4
511.28693	17.9
512.28949	1.0
643.75580	0.4
673.33801	100.0
674.34021	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	673.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77689	0.6
54.88817	0.6
60.71348	0.8
60.91236	0.6
62.75783	0.6
66.48911	0.6
68.39612	0.6
82.26231	0.7
225.87714	0.7
347.09671	1.4
385.08652	0.6
511.28729	23.8
591.40906	0.7
595.25562	2.0
673.33875	100.0
674.34137	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	674.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
67.05489	3.7
68.99768	0.7
69.07058	2.2
69.37504	2.6
79.05489	1.0
81.07043	5.2
83.01327	1.2
84.07578	0.5
91.05474	2.6
93.07022	2.4
95.04946	0.8
95.08606	4.8
103.05442	1.7
105.07037	0.7
107.08585	1.5
109.06505	1.1
109.09412	0.9
109.10142	13.3
119.04945	0.8
121.06499	5.0
121.10142	1.6
123.11691	4.4
123.21728	0.6
131.04906	3.3
135.11661	1.2
137.13266	0.6
139.03941	0.8
147.04437	3.5
149.05974	2.3
159.04393	1.9
161.05974	1.0
162.03090	8.9
163.07512	1.2
165.05467	2.6
167.07048	0.8
171.04326	1.0
173.05904	1.0
175.03922	1.6
176.04672	1.7
177.05457	4.0
179.06958	0.7
187.03995	0.6
189.05397	3.3
190.02588	18.2
191.03133	0.7
191.07036	4.7
191.08568	0.9
192.04163	0.9
193.05005	1.1
193.08603	1.6
199.03885	1.4
199.07578	1.0
201.05476	2.4
203.03136	0.7
203.07002	1.3
205.04944	100.0
206.05403	2.6
207.06523	15.3
207.10175	1.0
213.05505	1.2
215.06950	1.7
217.04971	3.2
217.08501	0.8
219.06500	20.1
227.06989	1.6
229.04953	2.0
231.06461	4.8
233.04478	1.4
233.08018	6.5
235.05988	0.7
239.07109	0.7
241.08609	1.1
243.06509	1.3
245.08047	2.5
246.07744	0.9
247.09659	7.6
257.04199	1.2
259.06091	2.3
259.09500	3.6
261.07590	2.1
261.11240	2.2
265.08609	1.0
269.08096	0.8
271.09589	2.3
273.11249	5.0
275.09219	1.6
277.08328	0.8
279.06406	0.7
285.11160	1.9
287.12772	1.1
289.18286	0.7
299.12708	1.1
305.08203	0.8
307.06055	1.1
307.09598	0.9
321.07361	1.0
322.08298	0.9
323.09094	0.9
327.15811	6.0
329.17490	9.5
333.07474	1.2
335.09216	0.6
339.15582	0.7
341.17398	1.6
349.10654	0.8
350.08002	0.9
351.08542	1.1
355.15085	0.7
357.16626	0.6
363.08524	0.9
365.10056	2.7
367.11935	1.4
368.12640	0.8
377.94910	0.7
383.10849	1.0
391.11505	1.2
392.12372	0.7
393.09103	0.8
397.12732	1.3
411.10547	5.6
437.12177	2.4
439.13629	0.7
451.13718	2.2
453.15237	0.9
463.13525	1.7
465.15619	3.8
477.15216	2.9
479.16772	1.6
489.23032	1.0
491.16742	0.8
493.18533	1.2
507.20441	0.6
515.20483	0.9
533.21631	12.7
547.23334	0.8
547.97943	0.8
561.24432	1.9
575.26190	1.5
589.27527	1.3
601.27899	3.0
657.34125	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	674.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05502	11.6
62.18572	0.5
69.07056	0.6
69.19293	1.3
69.19705	2.3
78.47030	0.5
79.05461	1.1
81.07034	2.1
83.01334	1.1
83.04969	60.5
84.05273	1.1
91.05472	1.3
93.07035	1.3
95.08572	1.5
103.05428	1.0
105.06988	1.1
109.06509	1.0
109.10138	0.9
115.05465	0.7
119.04961	0.6
121.05753	0.7
121.06465	4.1
124.72523	0.6
129.07045	0.8
131.04907	2.3
134.03688	0.5
145.10043	0.6
147.04395	2.2
149.05952	1.8
159.04337	0.7
159.07971	0.6
161.05960	1.2
162.03065	4.1
165.05450	3.1
167.06990	1.6
177.05466	2.9
177.12653	1.0
183.09874	0.5
189.05405	2.0
190.02577	12.7
191.07069	3.9
193.04974	1.5
197.05943	0.7
203.07014	0.6
205.04933	100.0
206.05290	3.0
207.06503	4.9
213.05363	0.9
213.09050	1.3
215.10622	1.0
219.06454	6.7
219.09996	0.6
225.08954	0.7
228.11568	0.6
231.06525	1.0
233.08070	1.9
241.08597	1.2
245.08096	2.4
245.11607	0.9
246.35600	0.6
247.09673	2.1
247.13327	0.6
255.10225	0.9
259.13275	0.7
261.11105	1.2
271.09708	3.0
273.11185	3.1
279.13571	0.8
283.13235	0.9
287.12851	0.6
295.13153	2.2
297.11172	5.4
299.12787	12.5
311.16293	1.1
315.19382	0.9
327.12119	0.9
327.15686	0.6
329.17426	8.5
343.11722	3.7
363.15729	0.9
381.16776	5.2
434.27896	0.7
449.15839	0.8
451.17673	4.2
483.17850	1.0
505.21786	0.8
515.20520	6.6
533.13788	1.1
533.21680	19.6
534.21832	1.8
639.32727	2.5
657.33942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25337	1.5
55.05503	7.2
57.34144	1.8
69.07045	2.0
70.56934	3.4
81.07042	3.6
83.04974	48.7
93.07037	2.8
109.10135	1.7
121.06506	4.7
131.04938	4.0
143.04897	2.7
144.37953	1.6
147.04367	9.2
149.06012	2.1
160.49014	1.8
162.03104	5.5
165.05493	2.9
171.04453	4.1
184.07298	2.7
190.02541	14.8
191.07002	3.7
193.04953	2.5
193.08640	2.4
199.03915	13.3
203.07129	2.0
205.04938	100.0
206.05400	3.1
207.06502	33.5
209.09657	1.9
216.04243	2.3
219.06511	13.7
231.06512	7.0
233.08089	3.7
245.07993	2.6
247.09583	3.8
259.05948	4.4
271.09607	21.2
273.11139	2.4
277.07071	4.6
283.63922	2.1
297.11218	4.2
299.12823	9.2
327.15674	3.2
329.17438	14.5
343.11737	4.2
381.16882	1.9
390.20187	1.9
433.16235	3.6
451.17288	4.5
515.20459	3.4
533.21558	11.6
596.69281	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.7
55.89287	0.8
57.07069	34.1
69.07069	1.8
69.30292	2.3
69.30704	1.4
71.08623	22.0
73.06552	9.5
78.90575	0.7
81.07049	1.9
83.04968	2.2
83.08625	1.6
85.10171	20.3
86.09681	0.9
87.04454	8.7
89.06021	100.0
91.05499	0.9
91.07564	0.7
93.07020	1.1
95.08581	1.3
97.10146	4.2
99.11725	4.1
107.07040	2.8
107.08604	1.2
107.70174	0.8
109.10119	1.0
111.11722	0.9
113.13306	1.9
117.09116	7.5
121.06549	1.0
123.08090	1.7
130.08630	1.4
131.04912	1.3
131.07021	2.7
133.08589	51.0
135.10164	1.1
149.05942	1.0
155.17957	5.4
161.11707	2.3
162.03079	1.4
175.09663	1.2
177.11192	19.5
179.12680	0.8
184.07268	0.8
190.02573	3.8
191.03346	2.6
193.04903	1.1
199.20561	3.4
201.74332	0.7
205.04935	29.9
206.05312	4.1
211.07652	0.9
219.06494	3.8
221.13846	3.2
231.06320	0.9
239.14919	1.0
243.06456	2.2
243.23154	8.1
244.06862	1.0
245.07974	2.2
265.16583	0.9
283.09589	1.0
283.17609	1.2
287.25763	4.8
315.15704	1.0
327.12204	4.3
327.15805	1.7
327.20129	1.0
329.17563	0.9
337.73703	0.8
503.30551	1.4
519.19989	1.7
532.20264	1.3
643.32355	1.6
657.47589	2.7
674.50085	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17607	0.6
56.96558	14.9
70.78095	0.9
84.96035	3.5
98.97568	62.0
103.55499	0.6
104.81432	0.6
110.97559	7.6
112.99026	1.0
116.49866	0.7
116.98602	22.8
124.20781	0.7
124.99076	1.0
127.00660	3.9
128.98598	6.9
129.34740	0.8
131.00116	1.0
134.99661	4.7
140.98509	2.3
143.00130	6.2
144.98058	1.0
145.01717	3.5
146.99559	2.8
152.98529	6.8
158.99629	35.8
161.01207	4.6
163.02747	0.9
169.01639	0.9
170.99632	27.8
173.01193	2.2
177.00687	23.6
179.02193	0.9
182.99585	2.0
187.02762	1.4
189.00682	42.0
191.02226	1.5
194.01390	0.7
194.99641	10.5
195.01425	1.4
201.00682	6.0
207.01732	11.8
213.00681	33.8
219.01730	25.9
225.00687	0.8
231.01733	11.7
237.02789	31.0
243.01695	2.5
245.05087	1.1
248.89636	1.0
249.02829	1.4
255.01697	12.5
255.03937	1.3
257.03201	1.4
261.02817	4.9
273.02716	2.5
279.03726	2.7
285.02487	1.0
315.03842	11.0
321.04916	1.8
333.04871	100.0
334.05231	2.6
351.05933	90.8
352.06244	3.2
374.07425	1.6
375.05978	1.6
381.07373	1.3
393.06970	16.6
423.08072	6.4
441.08899	1.0
453.09033	8.1
477.09351	0.7
495.10184	4.2
506.00018	0.8
513.11133	8.2
555.12286	2.4
675.16418	38.3
676.17010	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	675.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
71.73002	1.7
94.05373	1.5
95.08603	1.5
96.98058	1.6
172.13972	1.6
183.72252	1.5
230.43948	1.7
236.72917	1.7
331.00162	1.6
399.14383	5.8
408.93600	1.7
412.15399	5.7
413.15976	17.4
414.16971	17.7
415.18106	4.0
426.16812	6.2
427.17557	18.2
428.18320	23.3
429.18698	2.3
433.19250	1.8
440.18668	2.5
441.19482	15.5
442.19769	29.5
443.20496	8.7
455.16818	3.1
456.21375	1.9
468.18048	1.9
469.18695	35.4
470.18945	23.7
472.17520	4.7
473.17709	2.0
474.18539	2.6
501.21475	2.2
509.17679	2.5
513.17578	18.5
514.17957	25.1
515.17981	2.3
523.19434	2.3
525.20972	7.4
541.20026	2.6
557.23907	100.0
558.24243	11.5
588.25696	24.4
589.26447	2.8
601.22412	2.3
615.24536	16.8
616.24683	65.2
617.24207	6.0
631.27509	3.4
643.23907	48.7
644.23828	5.4
675.24915	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	675.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06588	0.7
71.43388	0.7
74.56215	0.6
79.50549	0.7
80.58652	0.6
96.89494	0.7
106.80927	0.7
113.42722	0.7
129.22398	0.8
138.70230	0.6
312.47333	0.8
346.82120	0.7
383.14462	0.9
454.17017	1.1
468.14438	2.6
469.14774	7.8
470.15744	1.7
481.15207	2.8
482.15695	9.9
483.16617	10.6
484.17374	2.8
495.16656	1.0
496.17358	5.3
497.18164	42.7
498.18777	4.7
499.19510	1.2
510.19263	1.9
511.19742	6.3
512.20294	1.6
515.18842	1.4
528.16577	2.3
541.16699	1.3
542.17725	2.0
556.19714	2.9
557.19952	3.5
616.21942	2.0
629.22601	1.0
643.23840	7.0
644.24786	7.5
657.25372	7.9
675.26526	100.0
676.26642	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	675.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18347	0.7
56.61909	0.8
64.28057	0.7
65.58949	0.7
69.03423	0.8
69.26530	4.0
91.05469	0.8
109.10162	0.8
111.04411	0.7
116.04985	1.4
137.05981	1.1
150.79065	0.8
196.67989	0.7
285.47824	0.7
299.07297	17.7
317.08588	1.6
382.48633	0.8
399.19739	7.6
461.12592	1.0
502.97195	0.9
513.22931	2.8
515.38135	0.7
631.29358	1.1
657.84131	0.9
675.28125	100.0
676.28412	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	675.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.4
79.05485	0.4
81.07030	0.5
109.92169	0.3
129.16467	0.3
149.02264	0.5
185.04283	0.7
185.11732	0.4
189.73738	0.3
193.05020	0.4
259.07858	0.4
295.21075	0.5
347.09534	1.0
513.30237	21.3
514.30573	1.3
573.70990	0.4
603.09955	0.4
675.35443	100.0
676.35950	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	675.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31982	1.4
53.07188	1.4
59.66516	1.1
69.67142	3.8
74.14651	1.2
82.47269	1.2
145.31178	1.3
149.02400	2.5
162.11630	1.4
164.07112	1.3
166.65875	1.2
185.04239	1.4
186.48030	1.4
193.04950	3.1
513.30267	16.8
546.09058	1.4
619.25494	1.6
675.35480	100.0
676.35596	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	676.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73487	0.5
53.03944	1.1
55.01856	0.7
55.05251	1.1
55.05502	16.5
55.14704	0.6
57.03219	0.5
57.03432	5.4
57.07065	6.1
59.04980	0.9
60.04512	0.7
61.02903	1.2
67.05477	1.5
69.03064	1.1
69.03420	19.0
69.03796	1.0
69.07058	41.0
71.04974	2.6
71.08622	6.9
73.02882	1.2
79.05453	0.9
81.03420	3.4
81.07032	1.0
83.08607	26.7
85.02893	29.9
85.10174	6.7
86.09712	0.7
87.04453	10.6
91.05447	0.9
93.07019	0.8
95.08585	1.4
97.02882	18.6
97.05766	0.6
97.10157	42.9
98.23456	2.2
99.04459	1.1
103.06694	0.6
105.07067	0.9
106.06521	0.7
107.08571	0.8
109.02863	2.8
109.10142	1.8
111.11702	29.2
113.06018	0.8
115.03917	15.4
116.04974	1.3
123.04385	1.2
125.13240	4.4
127.03890	7.0
133.04948	14.0
137.02307	0.8
137.05968	3.5
137.09567	0.9
138.06261	1.2
145.02731	0.8
145.04933	9.7
145.08594	5.4
147.16277	1.0
150.07634	0.9
163.03838	1.8
163.05992	4.2
165.09137	0.9
177.05508	0.7
185.18980	100.0
186.19313	1.9
203.20032	33.9
226.21667	0.8
259.08084	1.7
277.09155	1.3
278.26379	0.6
295.10141	2.3
312.29709	0.7
323.12466	0.7
325.11069	1.4
365.25375	1.0
512.19952	1.5
530.21051	2.1
676.30865	1.2
676.47498	0.7
677.33405	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	677.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	17.9
62.10817	1.3
84.96024	2.9
98.97591	10.1
99.90592	1.5
116.98603	9.0
118.98698	1.7
134.99643	4.0
139.00662	2.0
163.00737	1.8
165.99384	8.7
167.00101	2.6
179.00145	10.8
181.01738	6.6
184.00452	13.4
185.01189	6.7
190.98648	1.6
191.00101	8.1
193.01686	2.2
197.01192	23.5
199.02747	3.8
200.98718	3.3
201.00668	3.3
206.99672	3.9
209.01180	23.5
211.02715	2.7
213.00624	4.6
215.02228	3.8
218.99666	10.1
221.01219	5.7
225.00688	14.0
225.67735	1.7
226.01378	2.4
227.02245	22.5
235.02597	1.8
237.00659	100.0
239.02174	6.1
243.01721	5.8
245.03444	4.1
253.00212	3.7
255.01691	54.1
257.04312	5.2
259.02686	2.2
260.02313	2.4
261.00534	1.8
263.02286	2.7
264.99997	1.8
273.04443	1.6
279.01767	5.0
283.02835	2.8
287.02225	4.1
289.00244	6.0
297.02921	1.7
299.02118	2.7
301.03833	2.5
303.01813	8.5
305.03156	2.2
307.01251	10.7
309.00687	4.7
313.00183	3.6
315.01669	3.1
317.03290	2.9
319.01215	3.4
321.03033	7.3
327.01666	21.2
329.03192	2.0
331.01306	10.6
333.02744	6.5
337.02185	3.8
339.01373	7.5
345.02792	22.3
347.04300	2.5
349.02332	12.6
351.03815	2.3
353.03088	3.5
355.01218	3.3
357.02698	25.8
359.00977	2.0
363.03781	18.4
365.05154	1.8
367.03326	3.5
371.04404	4.0
373.02283	15.3
375.03787	6.6
381.05057	1.6
387.03583	2.0
389.05246	2.6
391.03320	5.7
404.01810	3.0
421.01965	2.1
422.02994	7.5
423.03546	3.2
424.05289	1.7
437.05588	2.3
439.03842	1.7
447.03644	18.0
463.85809	1.8
465.04871	73.5
466.05045	2.4
479.06503	8.1
483.05902	56.2
484.06403	2.9
488.06348	2.4
491.06494	4.1
501.06848	4.0
525.07043	22.0
617.09094	3.6
635.10205	3.0
677.11523	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	677.2407
Annotation	Icariin
Peak:m/z	Relative Intensity
56.74560	0.5
70.06561	0.5
79.26405	0.5
81.03408	0.6
86.09686	0.5
101.27148	0.6
105.07032	0.5
132.22835	0.5
137.06004	1.0
138.02870	1.3
155.03221	0.7
159.04247	0.9
182.97406	0.5
233.07838	1.4
233.75862	0.6
271.08331	0.8
299.07477	2.0
308.09857	0.6
315.06696	2.5
324.63675	0.5
349.12482	1.9
407.90402	0.6
421.14590	0.7
451.15689	1.1
463.15356	0.6
465.13843	2.3
479.15396	1.6
480.16202	1.7
515.15112	1.8
545.20801	0.6
677.24005	100.0
678.24396	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78402	0.8
57.07052	0.9
67.05515	0.8
69.73647	0.9
71.08627	1.7
71.25002	0.7
73.34113	0.9
81.07056	1.3
82.78506	0.8
89.06015	2.0
90.81734	0.7
91.05496	0.8
95.08582	1.3
106.78410	0.8
108.65871	0.7
120.88433	0.8
133.08604	1.1
141.97314	0.8
145.10225	1.0
151.90990	0.9
159.08141	1.0
191.04752	1.0
256.26318	2.2
677.29260	100.0
678.29749	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	677.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72801	0.2
79.79708	0.2
87.96419	0.2
88.07645	0.4
90.11500	0.2
95.05000	0.2
98.23408	0.7
98.60658	0.3
149.02296	0.4
161.17676	0.2
170.36766	0.2
185.04283	0.7
193.04967	0.5
205.05048	0.8
206.05182	0.3
256.26392	1.0
259.07916	0.5
308.72150	0.2
347.09515	1.0
421.13086	0.5
515.31897	21.2
516.32379	0.9
677.37109	100.0
678.37366	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	677.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22358	0.7
57.07049	0.9
59.46807	0.7
68.67564	0.7
70.06575	1.6
71.42948	0.9
77.48107	0.7
81.32197	0.7
88.07640	2.8
95.70380	0.8
102.09174	2.2
104.10743	1.2
148.73811	0.7
149.02354	2.2
193.04961	5.6
229.28099	1.1
253.35779	0.7
256.26364	9.4
277.08899	38.9
278.09351	1.4
463.77856	0.9
537.29456	1.2
677.37085	100.0
677.53473	7.2
678.37299	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
53.63593	0.8
55.05510	12.1
57.03424	5.5
57.07071	4.4
61.02920	25.5
61.32477	0.9
65.03943	2.4
67.05497	75.6
68.05814	0.9
69.03436	3.0
69.07061	13.5
70.27000	1.7
71.04990	3.1
71.08628	1.7
73.02912	8.6
79.05485	43.8
81.03410	1.9
81.07048	80.2
82.07377	1.1
83.04969	2.4
83.08610	9.3
85.02896	29.7
85.06532	2.2
91.03951	25.2
91.05467	26.1
93.07034	61.2
95.04964	5.6
95.08595	62.7
97.02892	13.4
97.06551	3.4
97.10170	3.7
98.23367	1.2
99.04444	2.7
99.08102	2.1
103.87018	0.9
105.07022	20.9
107.08581	36.4
108.08879	1.0
109.02856	1.3
109.06513	2.6
109.10139	33.9
111.08078	3.5
113.09666	1.5
113.22755	0.8
115.03930	1.6
117.07015	8.7
119.08573	17.0
121.09258	2.0
121.10132	36.7
123.08063	1.6
123.11689	17.7
125.09639	1.7
127.03918	9.2
127.11181	1.5
129.06996	1.0
131.08551	22.4
133.10115	13.5
135.11674	28.4
136.58316	0.8
137.09650	2.2
137.13234	6.3
139.11179	1.5
145.04942	12.7
145.10107	16.1
147.11662	14.4
149.13231	24.3
151.11145	1.6
151.14807	1.5
153.12787	1.2
159.11684	15.8
161.13226	13.6
163.06006	17.0
163.11214	1.2
163.14790	15.7
165.12761	2.7
167.14191	1.3
173.13263	16.4
175.14816	4.0
177.12807	1.3
177.16348	7.4
179.14287	2.4
187.14771	8.9
189.16383	1.2
191.14299	1.2
201.16374	3.5
205.15802	2.0
215.17918	1.7
217.19882	1.0
219.17450	1.4
233.22624	3.1
243.21065	31.4
244.21259	1.5
261.22104	100.0
262.22433	4.4
263.23721	1.5
279.23126	2.9
335.25739	19.5
336.26450	1.0
353.26825	29.5
354.26932	1.7
473.16559	0.9
497.30984	1.1
601.23853	1.0
617.22168	1.7
645.21869	2.4
677.25336	9.0
677.35754	4.4
677.53540	1.0
678.25128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03823	0.8
53.03937	1.6
55.01858	1.2
55.05256	1.2
55.05503	15.9
57.03427	8.4
57.07061	3.8
61.02919	21.6
65.03920	2.5
67.05495	89.4
68.05798	0.9
69.03416	3.1
69.06712	1.1
69.07059	18.2
69.22360	1.6
69.22770	3.5
71.04976	2.9
71.08610	2.4
73.02903	8.2
74.13477	0.8
75.04453	2.0
77.03915	2.2
79.05481	55.3
81.03407	1.7
81.07046	100.0
83.04967	2.8
83.08609	8.9
85.02402	1.6
85.02892	21.6
85.06524	3.4
91.03950	20.3
91.04941	1.8
91.05470	26.5
93.07032	68.0
94.07342	0.9
95.04982	5.0
95.08594	79.4
97.02877	12.1
97.06510	4.0
97.10178	4.7
99.04469	1.3
99.08092	2.2
105.04474	1.5
105.07013	22.5
107.08584	45.4
109.02866	1.1
109.06506	2.3
109.10144	42.2
111.08063	2.6
111.11757	1.5
113.09606	1.5
115.03930	1.5
115.05486	0.9
117.07005	10.4
119.08568	19.7
121.10127	42.4
123.08036	2.1
123.11697	19.2
125.09608	1.8
127.03890	5.8
130.07745	1.1
131.08551	22.0
133.10117	17.4
135.11671	35.2
137.09616	2.5
137.13213	7.5
139.11139	2.6
145.04935	10.9
145.10112	18.6
147.11676	14.8
149.09557	1.7
149.12090	1.9
149.13232	25.8
151.11151	2.3
151.14752	2.4
153.12695	2.1
159.11671	17.7
161.13258	12.2
163.05983	11.8
163.11148	1.3
163.14795	17.9
165.12698	3.0
173.13257	15.6
175.14793	5.1
177.12721	2.6
177.16365	5.8
179.14293	2.4
187.14783	9.3
189.16370	1.2
190.59752	0.8
191.14207	1.7
193.15749	1.0
201.16315	3.6
202.82808	0.8
205.15808	1.1
209.96915	0.8
215.18019	1.1
219.17403	1.4
233.22623	4.6
243.21040	31.0
261.22104	93.1
262.22433	3.0
263.23688	2.1
279.23056	5.3
317.24448	1.0
335.25739	32.5
336.26132	1.2
353.26797	29.2
354.27179	0.9
479.29922	1.7
497.30670	5.7
497.63724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38820	0.7
53.41503	0.7
57.03436	2.2
61.02914	5.8
67.05489	4.4
69.03423	2.6
69.07056	1.1
69.10542	3.5
69.10952	1.7
73.02910	3.2
76.54423	0.7
79.05477	3.8
81.03403	1.5
81.07052	3.5
85.02892	4.9
87.04440	0.8
91.03957	2.4
91.05495	1.6
93.07011	4.2
95.08596	7.9
97.02888	4.2
98.23438	1.9
99.04425	1.0
101.02377	1.8
107.08586	1.5
109.02837	0.9
109.10146	0.8
117.06989	1.3
121.10123	1.9
123.11710	1.1
127.03919	1.1
131.08586	1.0
133.08575	0.8
133.10168	0.8
193.05028	1.1
243.08487	1.4
256.26279	1.8
267.14923	1.1
359.87784	0.9
399.16119	4.6
460.41309	1.0
519.29095	9.9
677.29181	3.9
677.38556	100.0
678.38965	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	678.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01845	3.0
55.05507	5.7
57.03423	6.6
57.07044	1.2
61.02918	9.7
67.05489	3.1
69.03423	19.8
69.07064	3.5
70.69221	1.7
71.04980	4.4
71.15293	1.2
73.02917	2.7
79.05484	4.3
81.03403	9.0
81.07050	5.8
83.04972	1.7
83.08606	3.8
85.02891	100.0
85.07809	1.3
86.03239	1.5
86.09659	1.5
87.04461	1.9
91.03946	4.9
91.05470	5.2
93.07032	7.3
95.08612	4.9
97.02880	28.0
97.03497	2.5
97.06499	1.3
97.10182	2.2
99.04447	5.3
100.11243	12.5
105.07040	6.5
107.08591	5.8
109.02863	9.7
109.06499	1.3
109.10154	5.5
111.04415	3.6
111.11693	1.7
117.07034	2.2
119.04961	2.2
119.08570	5.0
121.06474	6.4
121.10121	3.0
125.06019	1.7
127.03903	30.6
131.08554	3.9
133.10121	3.2
135.11690	2.2
137.05949	6.0
137.09573	1.3
139.03908	4.6
139.07521	5.4
143.08565	2.1
144.06529	1.9
145.04936	50.8
145.08623	2.3
145.10130	4.0
147.11693	3.8
149.13240	1.5
151.03944	2.2
151.07556	2.3
153.05482	2.5
157.04988	1.8
157.10101	1.3
159.11676	5.6
161.13205	2.6
163.05998	17.7
163.07330	1.9
163.14749	1.5
165.09096	2.0
171.11743	1.7
173.13130	6.4
177.12666	1.5
182.15405	4.5
185.13316	2.3
189.09135	1.4
191.14369	3.9
199.14755	2.4
209.16455	4.1
210.14864	5.6
224.62349	1.4
227.17560	1.6
239.17903	1.6
253.08597	1.4
255.21010	29.6
271.08066	1.5
273.22070	39.2
274.22473	2.0
283.20535	3.8
285.18622	1.3
301.21524	11.8
313.14307	1.8
319.22586	23.6
325.11298	5.4
327.12228	2.9
331.15369	4.1
337.23804	10.3
359.14896	12.0
463.26749	3.5
507.25870	1.4
517.57520	1.4
584.38684	1.5
661.50116	2.5
678.33624	2.1
679.21790	1.6
679.50958	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76102	1.0
55.05503	9.0
61.98505	1.2
66.65549	1.3
67.05486	2.8
75.06899	1.0
75.30093	1.1
75.67947	1.1
79.05481	2.8
80.04990	2.1
81.03419	1.3
81.07040	1.7
82.06581	3.6
83.04978	2.0
83.08607	7.4
86.52036	1.1
91.05476	3.7
93.05782	2.0
93.07029	5.6
94.06563	11.3
95.04973	1.7
95.07346	6.3
96.08115	20.8
97.06532	2.3
100.07626	2.4
100.11243	44.6
106.06530	9.5
107.07350	2.2
108.04483	1.5
108.08106	21.3
109.08862	1.4
110.06052	3.5
110.09667	34.9
111.04440	5.9
112.07615	1.8
116.40237	1.1
118.06545	1.7
120.04444	6.4
120.08083	25.0
120.08879	2.0
122.06013	9.3
122.09680	1.8
124.07569	12.3
126.09130	1.7
127.08668	1.6
128.07065	3.7
134.06033	3.3
134.09660	3.2
136.07555	24.6
137.06015	1.4
138.05505	1.9
138.09122	42.0
139.08658	2.4
140.07057	2.1
144.04446	4.3
146.05981	28.5
146.07143	1.5
146.09686	2.7
147.04399	1.3
148.07544	16.8
150.05537	1.5
150.09096	11.3
152.07036	20.8
158.06038	1.9
160.03993	1.8
160.07600	4.1
162.05536	3.8
163.03877	1.7
164.07016	9.7
166.08618	78.9
167.07100	3.5
167.08731	1.0
172.03914	23.3
172.05333	1.9
172.07576	1.2
174.05521	1.7
174.09090	1.5
176.07100	2.8
177.05402	1.7
178.08659	1.4
182.08170	3.1
182.09639	1.4
182.15347	15.0
184.10040	1.3
190.04962	22.7
191.03383	6.0
192.06596	1.5
197.10719	5.3
198.11469	6.1
199.12285	2.3
204.06525	29.9
204.08264	1.9
205.07045	1.2
209.10730	4.1
209.16458	14.4
210.09506	1.6
210.11592	7.2
210.14862	22.8
210.16801	2.3
211.12273	11.7
212.13062	3.2
213.10162	1.4
213.13680	1.8
218.08141	3.8
220.10133	1.5
221.10690	1.5
222.11481	1.9
223.08627	1.7
223.12230	9.5
224.12961	2.8
225.10138	7.7
225.13873	3.6
226.10948	6.7
226.19194	3.1
227.11708	8.0
228.15865	1.6
235.08711	4.8
235.12286	2.9
236.09439	4.7
236.12968	1.3
237.10219	15.8
237.13841	2.4
238.10928	11.0
239.11787	17.1
240.12485	2.6
241.13399	3.2
245.12808	3.3
246.07672	4.5
248.09589	4.0
249.10184	20.4
250.10970	12.6
251.08040	1.6
251.08836	1.3
251.11775	25.1
252.08932	2.0
252.12454	6.7
253.09837	2.5
253.13258	9.0
254.10619	1.5
254.13983	1.1
255.11366	4.2
256.12137	4.2
257.12784	2.7
262.06940	1.6
262.10992	2.7
263.11740	37.7
264.08905	6.4
264.12469	8.7
265.10040	9.2
265.13281	20.5
266.10513	5.8
266.13889	1.8
267.11264	16.8
268.11948	1.6
269.12860	9.5
270.13571	1.2
271.10849	2.5
271.14426	5.8
273.12445	3.9
275.11789	2.1
277.09741	4.6
278.10504	5.8
279.11237	41.1
280.11938	3.3
281.09390	1.5
281.12762	18.1
282.10083	2.5
282.13568	1.8
283.10855	5.9
283.14401	1.6
284.11487	6.6
285.12280	24.7
287.13803	6.0
291.11218	25.6
292.11957	7.9
293.09415	2.1
293.12750	29.9
294.09906	1.8
294.13217	1.3
295.10760	5.3
295.14111	1.7
296.11575	5.0
297.12299	57.7
298.12891	7.3
299.13867	29.6
299.17032	1.8
304.08441	1.7
305.14944	2.7
307.10706	3.0
309.12289	33.6
310.13113	2.8
311.10281	5.5
311.13947	14.3
315.13333	32.9
316.14093	2.5
318.15924	1.4
319.10721	23.2
319.14203	1.8
321.12280	9.3
323.10315	10.7
323.16354	1.8
324.10638	1.6
325.11780	40.5
325.15643	2.2
326.12399	2.0
326.28094	4.2
327.13434	7.3
328.14429	1.4
330.16086	1.3
336.22778	2.1
337.11758	100.0
338.12210	3.4
339.13446	6.0
341.11319	3.6
342.12253	2.4
343.08487	1.8
343.12939	4.8
355.12909	2.1
356.13846	1.8
357.14386	9.1
358.15302	2.7
369.14212	6.3
370.15332	1.4
371.16238	3.2
372.16907	1.8
373.13907	3.5
374.14615	1.9
390.17960	1.7
392.19989	1.9
398.15015	3.0
399.15726	2.2
401.13058	6.7
402.18076	3.3
404.19983	2.1
414.18124	1.5
416.15939	4.0
420.18973	2.6
430.17645	2.9
432.19302	4.5
440.16333	1.8
444.19400	2.4
446.20737	4.7
448.18381	1.9
449.19501	4.5
450.20084	7.3
458.17105	3.7
462.20313	9.0
463.20422	1.3
464.21948	65.8
465.22119	5.8
472.18912	3.8
474.20013	1.3
476.18127	5.9
482.19284	3.6
490.19684	85.1
491.19882	8.0
492.21210	2.7
494.18900	1.7
507.97180	1.2
508.20782	7.3
522.22296	43.8
523.23029	4.9
587.25031	3.0
603.27783	1.8
611.25104	11.2
612.25317	1.3
629.25946	10.8
647.27008	29.6
648.27539	2.7
661.50220	7.7
679.29718	4.5
679.51025	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.5
62.39983	1.0
67.05492	1.8
69.50064	4.7
70.06600	1.3
79.05481	3.2
82.06557	3.1
83.08585	2.8
91.05456	1.9
93.07024	5.0
94.06543	10.2
95.04971	1.3
95.07346	5.5
96.08114	14.6
97.06498	1.1
100.11250	15.2
103.05454	1.9
106.06519	6.3
108.04487	1.3
108.08091	18.4
110.05986	2.4
110.09660	22.7
111.04440	2.0
118.06470	1.5
120.04456	4.9
120.08075	17.1
121.08883	1.2
122.06011	9.8
124.07574	13.5
128.07076	2.3
130.82449	1.0
132.08093	1.2
134.06001	3.8
134.09637	2.5
136.07556	20.7
137.05968	1.8
138.05484	1.9
138.09108	37.9
140.07011	1.7
144.04372	3.5
146.05971	22.3
148.07558	13.0
150.05429	1.9
150.09152	11.5
152.07039	18.4
158.05977	2.1
160.03896	1.6
160.07568	2.4
162.05531	3.0
164.07039	11.5
166.08603	77.6
167.06961	1.9
167.09015	2.0
172.03915	20.6
173.04170	1.3
176.07079	1.2
182.08134	3.0
182.15399	6.7
183.09044	1.5
190.04953	20.7
190.08623	1.1
191.03328	3.0
192.06445	1.7
197.10768	3.8
198.11450	4.3
199.12305	1.8
203.70790	1.1
204.06517	28.1
205.06906	1.4
209.10703	2.9
209.16476	7.3
210.11606	6.1
210.14868	7.1
211.12257	8.5
212.13106	2.6
213.10196	1.5
213.13716	1.9
218.08084	3.7
221.10626	1.1
222.11424	1.7
223.08701	1.7
223.12239	6.7
224.09290	1.5
225.10258	5.7
225.13821	2.1
226.10938	5.2
227.11815	6.1
235.08694	3.2
235.12317	2.7
236.09393	3.6
237.10170	11.0
237.13815	2.6
238.10962	11.0
239.11707	14.8
240.12218	1.4
241.13260	2.4
244.05986	1.4
245.12825	2.6
246.07631	4.0
248.09538	3.4
249.10204	14.4
250.10921	8.6
251.11746	18.7
252.08839	1.5
252.12407	6.7
253.09592	3.5
253.13306	9.0
255.11269	2.0
256.11938	3.0
257.12817	4.0
262.07101	2.1
262.11038	2.2
263.07761	1.6
263.11761	33.1
263.14554	1.8
264.08926	5.7
264.12408	7.2
265.10123	7.8
265.13242	17.2
266.10425	5.0
267.11255	13.2
268.11978	2.0
269.12839	7.2
271.10812	2.2
271.14368	6.4
273.12247	4.6
277.09720	3.8
278.10504	5.4
279.11243	33.0
280.11975	4.5
281.12793	15.6
282.09924	3.6
282.13104	1.4
283.10693	6.3
284.11490	3.8
285.12274	20.5
287.13916	6.5
291.11206	23.9
292.11929	5.6
293.09384	2.2
293.12750	26.9
295.10690	6.6
295.14124	2.5
296.11407	4.9
297.12283	55.0
298.12933	5.3
299.13837	31.1
301.15530	1.6
305.15012	2.5
307.10742	2.3
309.12244	31.2
310.12793	3.2
311.10120	4.2
311.13831	14.3
315.13345	35.1
316.13882	3.2
319.10715	19.8
321.12280	8.6
323.10220	9.8
323.15964	4.8
325.11774	36.5
325.15573	2.7
326.12000	1.4
327.13394	6.3
330.16040	1.5
337.11746	97.1
338.12027	4.2
339.13293	5.1
341.11169	3.3
342.12054	1.7
343.08417	1.3
343.12869	3.7
344.13898	1.5
355.12830	2.5
357.14462	11.5
359.16043	1.5
362.18622	1.7
369.14386	7.8
370.15097	1.2
371.15790	2.8
373.13879	3.6
376.20786	1.2
383.12268	1.5
388.16489	1.6
390.18024	2.4
398.14859	2.4
399.15631	1.8
400.16403	1.3
401.13339	10.9
402.17859	2.7
404.15280	1.5
404.19870	2.4
416.15994	3.8
420.19174	1.9
421.19482	1.5
422.20984	1.5
430.17191	3.0
432.18970	2.9
436.22180	1.4
444.18945	1.8
446.20871	4.1
448.18652	1.7
449.19434	4.9
450.20142	8.5
458.16776	3.2
462.20224	10.1
464.21887	65.1
465.22137	4.1
472.18518	4.3
474.19681	1.7
476.17838	7.3
478.19293	2.0
482.19162	3.5
490.19650	100.0
491.20175	7.1
492.21109	3.2
494.18896	2.1
508.20645	8.1
522.22260	49.0
523.22748	5.7
569.24640	1.3
587.24524	3.6
611.24982	12.8
619.27966	1.3
629.25867	14.6
647.16840	1.9
647.26984	33.8
648.26935	2.6
661.49524	3.8
679.28973	4.1
679.51031	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	679.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42477	0.4
69.91648	0.9
69.91999	0.9
70.56490	0.4
79.30804	0.4
87.04427	0.5
88.03168	0.4
89.06009	1.6
120.26636	0.4
121.68568	0.4
124.31178	0.4
127.05996	0.4
133.08554	0.5
164.24849	0.4
281.07889	0.7
351.15628	5.7
555.19916	1.3
679.32300	100.0
680.32574	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	679.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41761	0.3
69.42931	1.3
79.25269	0.3
89.06017	0.8
95.08604	0.4
108.06714	0.3
119.59534	0.3
133.08603	0.4
152.96471	0.3
162.84003	0.3
281.07764	2.4
282.08527	1.1
283.09634	0.7
337.17734	1.0
351.15665	5.6
377.56836	0.3
457.12527	0.9
473.15735	1.2
527.20044	0.7
527.70929	0.4
555.19678	1.1
581.24835	0.8
597.28467	0.7
679.32312	100.0
680.32532	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	679.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33704	0.8
61.22608	0.7
64.87962	0.9
67.10128	0.7
87.16142	0.9
89.06035	1.6
91.05432	0.9
133.08595	1.2
184.07324	1.3
246.71400	0.9
252.22179	0.7
262.58957	0.8
273.84964	0.7
277.10440	0.8
279.05789	0.8
351.15622	100.0
352.16089	2.9
407.94138	0.8
445.46695	0.8
571.34094	0.8
612.29602	0.8
679.32300	57.8
680.32990	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	679.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.8
58.06563	2.1
67.05479	5.9
69.07097	1.9
69.09789	6.5
69.10187	4.4
73.44123	1.9
79.05467	6.6
81.03412	2.0
81.07059	4.6
91.05463	5.0
93.07021	3.7
95.08599	2.2
100.11236	2.5
105.07000	4.2
116.53117	1.8
117.71979	2.0
119.08578	1.7
121.10156	2.4
124.34180	1.7
131.08502	1.8
163.03865	2.5
173.02287	1.6
187.91254	1.9
205.58281	1.8
258.88788	1.9
299.54013	1.7
302.60614	1.7
421.19333	1.8
555.24213	1.9
557.66882	2.1
679.34210	100.0
680.34253	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	679.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91759	1.3
53.03942	1.3
55.05266	1.5
55.05507	21.3
57.03438	7.7
57.07060	10.7
61.02919	19.7
65.03925	1.9
67.05495	85.9
68.05840	2.3
69.03403	3.2
69.06707	2.4
69.07061	29.7
69.87072	3.2
69.87435	2.8
71.04979	3.7
71.08608	7.0
71.72303	1.8
73.02920	6.8
75.04469	1.8
79.05479	21.9
81.03394	1.9
81.07046	100.0
83.04956	2.5
83.08610	20.2
85.02895	15.8
85.06506	1.7
85.10143	3.1
88.07664	1.4
91.03946	15.7
91.05464	19.1
93.07034	26.0
95.04962	3.1
95.08594	86.1
97.02885	10.3
97.06518	6.2
97.10168	11.1
98.22743	2.5
99.04437	1.7
99.08070	3.9
100.11246	2.4
103.03910	1.4
105.07016	11.9
107.08581	18.8
109.06506	1.8
109.10143	43.3
110.10456	1.4
111.08078	3.9
111.11716	4.7
113.09631	3.7
119.08558	14.6
121.10136	21.9
123.11674	21.1
125.09695	1.9
127.03900	6.5
127.11172	1.6
133.10101	18.7
135.11655	11.0
137.09537	2.1
137.13248	10.1
141.12689	3.9
145.04907	7.0
147.11658	10.9
149.02347	1.4
149.13252	10.7
151.14796	8.3
155.14290	4.2
161.13223	13.8
163.06007	8.9
163.14824	10.4
165.12755	2.0
165.16312	9.4
175.14803	9.9
177.16365	2.5
179.14308	2.3
179.17932	6.3
181.15808	1.6
189.16365	3.5
193.04987	2.2
193.15878	1.5
245.22612	62.6
246.22943	1.4
256.26266	2.3
257.26797	2.8
263.23654	78.5
264.24100	2.4
337.27319	59.5
338.27676	2.6
355.28311	5.7
499.32437	3.9
678.54279	3.1
679.55402	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.1
56.49387	0.7
69.03413	1.5
69.44550	1.0
69.44934	1.4
70.02909	0.6
71.05022	0.7
73.02928	0.7
74.00653	3.7
81.03397	1.5
82.06010	0.5
83.06087	2.0
84.04497	4.4
85.01102	0.6
85.02869	1.7
86.49251	0.7
97.02876	3.4
98.00603	1.3
98.06045	0.6
98.23476	0.7
99.02628	0.6
99.04431	2.2
101.00602	2.0
108.04466	0.9
109.02868	0.9
109.77977	0.5
110.06032	1.0
112.02172	9.0
112.03912	1.8
115.03941	2.5
116.01696	1.2
126.03725	3.2
126.05466	1.0
127.02152	0.9
127.03894	0.8
128.01622	0.8
129.00053	2.4
129.06599	2.5
130.04959	4.2
138.05406	0.5
139.03207	0.8
140.01639	2.5
153.06628	0.8
154.03191	100.0
155.01610	1.7
155.03494	1.0
163.03897	2.6
172.04205	3.4
173.02646	0.7
176.07060	1.3
181.06032	0.9
182.02663	13.8
183.01198	0.6
185.03787	1.8
196.04529	0.6
201.02071	0.9
211.05234	1.4
214.05469	0.7
231.04350	3.1
238.05238	0.9
239.04767	2.7
257.05893	16.4
275.06927	1.7
301.08533	0.8
316.08456	0.9
317.07898	1.6
329.07721	0.9
334.09576	0.9
383.09155	1.8
401.09979	2.6
419.11179	6.4
430.11609	2.9
437.12457	0.7
448.12476	2.1
464.13269	1.2
473.12146	1.0
486.15762	0.8
491.13318	1.3
515.13367	0.7
520.66913	0.5
533.14319	19.8
534.14020	0.7
548.15173	1.1
551.15302	0.7
566.16583	0.8
573.92383	0.7
605.16449	7.8
616.64111	0.6
680.19391	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	680.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15061	1.6
69.15449	3.1
73.44312	0.9
77.18708	0.9
83.46598	0.9
89.56873	0.8
89.90667	0.8
125.38356	1.0
183.87593	0.9
223.12134	1.0
400.17035	1.9
401.17676	2.0
413.17719	2.4
414.18356	3.3
415.19061	7.2
416.19577	1.1
427.19128	3.1
428.20093	2.0
429.20917	11.8
430.21597	3.8
433.23792	1.4
441.21286	1.6
442.21667	2.1
443.22604	5.6
444.23309	5.2
457.24426	7.5
458.24319	3.3
459.21259	6.7
460.21536	2.6
472.22604	3.8
474.22836	1.2
475.24487	3.6
485.23499	23.6
486.19675	5.6
487.24921	3.5
489.22812	2.7
497.23022	1.4
499.21332	1.3
500.22156	3.7
503.24503	3.3
513.22516	2.9
515.24384	17.3
516.24176	1.5
531.23877	41.2
532.23889	3.6
541.22076	1.4
559.23260	15.7
591.25940	100.0
592.26349	7.5
680.41022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51394	3.0
55.05507	6.6
57.03439	5.5
57.07075	4.3
61.02912	33.3
67.05494	60.4
69.03381	2.9
69.07066	10.6
71.04964	3.2
73.02908	11.9
77.03910	3.5
79.05479	34.2
81.07042	63.4
83.08621	6.8
85.02897	36.9
85.06541	4.4
91.03949	31.2
91.05456	19.1
93.07024	62.6
95.08578	58.3
97.02876	16.1
97.10149	4.8
99.08060	4.2
105.07008	22.0
107.08567	48.3
107.18225	3.4
109.10133	33.7
111.08078	2.9
117.07005	9.5
119.08541	20.0
121.10127	38.8
123.11712	12.9
127.03899	9.9
131.08536	18.8
133.10101	17.2
135.11658	29.4
137.13254	5.1
145.04878	16.5
145.10104	17.5
147.11697	16.4
149.13264	30.6
153.65253	3.3
159.11649	20.0
161.13240	6.6
163.05978	19.1
163.14793	9.2
173.13255	17.9
187.14717	6.0
210.36723	3.3
211.20946	3.6
219.21060	3.1
229.19472	41.4
247.20546	100.0
249.22209	3.1
296.94672	3.2
321.24121	14.8
339.25232	48.9
357.55725	3.4
429.12631	3.5
456.43515	3.3
504.80682	3.3
599.28619	3.5
680.36664	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	680.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67418	8.0
55.05503	16.3
61.02919	33.3
67.05503	66.7
69.07047	8.2
72.85033	7.5
73.02937	11.9
79.05483	45.7
81.07045	92.7
81.82065	8.3
83.08583	8.3
85.02894	30.3
91.03958	25.3
91.05470	21.9
93.07029	61.1
95.08589	86.0
97.02895	18.7
105.07045	24.5
107.08580	38.4
109.10129	37.3
117.07035	11.9
118.77982	7.7
119.08570	16.4
121.10134	39.5
123.11656	17.2
131.08575	15.5
133.10141	19.1
135.11633	39.4
145.04970	8.4
145.10095	15.2
147.11687	13.5
149.13261	26.9
159.11685	29.4
163.06018	35.1
173.13228	15.8
218.09212	8.1
229.19476	51.4
247.20532	100.0
321.24286	29.4
339.25266	49.0
364.21606	8.8
395.37051	8.2
616.37042	8.5
672.40863	10.1
680.51093	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	681.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12803	1.6
56.96550	15.0
57.26720	1.6
58.06594	3.0
75.12429	1.8
83.83445	1.8
87.94225	1.8
105.07038	2.8
123.80072	1.5
128.17279	1.8
143.23735	1.8
147.06598	1.8
182.22995	1.6
191.86626	1.6
223.10069	3.7
235.10109	6.4
241.11070	40.7
253.11072	69.6
259.12115	33.2
271.12112	100.0
289.13171	3.1
294.13760	5.0
351.20029	2.9
369.20282	1.8
467.16608	3.0
467.26755	78.0
468.26816	3.1
681.33984	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.05497	0.3
57.03421	0.5
61.02912	0.6
62.94501	0.2
67.05483	0.7
69.03423	2.8
70.91386	0.5
71.04984	30.6
73.02903	0.6
81.03413	2.2
84.24008	0.3
85.02898	3.5
85.06043	0.4
85.06534	4.9
95.04960	1.3
97.02885	3.9
99.04434	1.0
103.07554	0.5
109.02866	2.8
110.08261	0.2
113.05996	5.7
115.03893	0.8
124.49986	0.2
127.03901	3.4
127.07544	15.1
128.07793	0.3
131.07025	8.4
136.93491	0.2
137.05937	0.4
141.05463	0.7
142.06821	0.2
142.28026	0.2
145.04936	2.1
145.08577	100.0
146.08923	1.5
151.03897	2.7
155.07066	0.8
163.03873	0.3
173.08067	2.8
180.08670	0.6
185.08102	0.8
187.06041	0.4
191.09120	10.6
202.87502	0.3
206.04437	0.4
209.15331	0.4
239.09137	0.3
257.10217	1.3
275.11212	0.7
299.11139	1.2
317.12256	2.5
335.13306	3.1
681.37238	0.3
682.37152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.0
55.05499	9.7
56.05850	2.0
58.48755	1.4
65.03959	2.0
67.05505	6.5
69.03426	4.1
69.07049	1.9
69.22888	8.8
79.05487	4.6
81.03426	6.1
81.07060	4.3
82.06587	4.3
83.08598	8.0
84.08955	2.3
85.02903	4.6
91.05465	3.7
93.05801	2.4
93.07049	7.6
94.06551	16.1
95.07357	5.3
95.08581	1.8
96.08120	13.9
97.02901	2.9
97.06506	2.0
100.07623	3.3
100.11240	40.2
101.11567	11.4
105.07008	3.8
106.06535	3.3
107.07353	4.7
107.08577	1.7
108.04505	4.0
108.08090	21.8
109.02876	3.9
109.10190	6.0
110.09672	20.8
111.04459	5.2
112.04755	2.3
115.03930	1.5
116.04996	2.0
118.06543	3.3
119.08592	1.8
120.04471	7.0
120.08080	17.4
121.10136	1.9
122.06020	15.2
122.09635	10.1
124.07580	4.3
127.03932	2.6
128.07077	4.1
133.10136	1.6
134.06001	3.6
136.07556	24.8
137.05998	3.3
137.09599	7.4
138.05518	4.7
138.09126	32.1
138.10153	2.7
140.09109	1.7
144.04453	4.5
145.08597	1.8
145.10117	2.6
146.05988	11.5
148.07556	10.7
150.09137	13.6
152.07132	2.3
160.03929	4.8
162.05519	4.4
164.07042	3.5
165.09113	3.9
166.05048	2.7
166.08614	47.4
172.03903	17.3
172.05040	1.4
174.05444	8.5
182.15413	11.3
183.15753	6.9
184.16125	1.9
190.04965	11.1
191.10696	2.1
192.06567	2.2
196.09859	1.6
197.10710	2.9
201.11203	1.7
204.06589	10.0
206.08084	1.9
209.10777	3.2
209.16470	7.5
210.14912	11.1
210.16858	7.0
211.08618	2.5
211.12378	2.4
211.15221	8.8
211.17041	3.1
212.09503	2.7
212.15514	3.1
213.10255	2.6
217.28743	1.4
222.07925	2.3
223.08646	1.7
223.12318	2.2
224.09381	2.7
225.10146	13.4
225.13779	1.8
226.11041	2.5
227.11902	4.8
235.08557	2.5
236.09438	5.0
237.10147	21.7
238.11006	4.1
239.08125	1.6
239.11688	9.0
241.09775	5.1
245.12932	2.4
249.10269	2.9
251.08215	2.0
251.11823	10.4
252.08948	3.3
253.09734	10.5
255.11354	5.3
259.14496	1.6
263.11978	3.1
264.08884	3.6
265.09683	30.1
266.10464	3.2
267.11185	7.8
268.11874	3.0
269.09238	2.7
271.10825	2.9
273.12369	3.9
277.09747	2.4
279.11209	15.8
280.08551	1.5
281.09296	3.7
281.12897	3.0
283.10898	4.1
285.12482	2.4
291.11462	1.7
293.09161	17.5
294.10077	3.2
295.10754	5.5
297.09015	2.1
297.12350	6.5
299.14017	1.9
305.09137	1.7
307.10590	8.5
311.10391	2.7
313.11874	2.9
325.11850	8.9
327.13559	4.2
335.10355	5.9
353.11368	3.3
353.15512	1.9
397.14011	2.1
414.17340	1.9
415.15381	2.3
427.14835	1.8
429.16830	1.7
439.14786	1.9
455.14511	2.6
460.18619	2.7
467.14520	12.8
469.16324	2.5
470.16589	1.8
479.14273	3.6
485.15573	7.0
488.17923	4.1
497.15387	11.0
506.19327	2.9
517.17871	2.2
529.18481	1.9
568.21283	2.7
576.24200	1.6
586.21973	10.5
604.22827	13.1
609.23047	17.9
614.21149	6.9
622.23828	20.2
632.22418	11.5
650.23364	100.0
651.23627	5.9
663.50348	9.5
664.50079	2.9
681.51642	57.7
682.24811	4.6
682.35229	1.9
682.51459	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	682.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.05500	0.9
56.12333	0.5
57.03418	0.9
67.05492	1.0
69.03413	3.8
70.06564	0.9
71.44245	0.5
73.02950	0.7
75.04469	3.8
79.05489	1.1
81.03409	4.4
81.07045	1.7
81.66735	0.7
81.87076	0.6
85.02890	26.3
91.05460	1.0
93.07031	1.5
95.08601	0.9
97.02880	6.4
99.04423	2.2
100.11256	1.4
103.03934	6.7
103.55519	0.6
105.07045	1.0
107.04946	0.7
107.08592	1.2
108.04446	1.3
109.02870	4.8
109.10122	0.6
111.04473	0.9
115.05447	1.4
117.05471	100.0
118.05824	1.2
119.04939	0.9
119.08540	1.2
120.08118	0.9
122.03638	1.0
127.03887	7.3
127.96091	0.6
128.06221	1.1
129.06958	0.9
131.04895	0.9
131.07001	1.9
133.06395	0.7
136.07567	1.0
137.05951	26.8
137.09616	0.8
143.04915	3.1
144.05705	0.7
145.04935	13.4
157.04971	0.7
157.06406	1.4
160.03940	1.2
160.05174	3.6
161.05942	1.7
163.03915	0.7
163.06009	12.4
163.07359	0.5
166.08585	1.1
172.05257	0.7
174.06743	0.9
175.07521	23.5
177.09084	2.1
187.07524	9.4
189.09102	1.9
205.08589	4.2
217.06886	0.8
217.08696	0.9
229.07066	0.8
235.09677	4.7
241.04808	0.6
247.07956	1.0
265.09384	0.8
271.08081	2.4
289.09106	3.1
291.10135	2.0
307.10165	1.8
323.12817	1.5
325.14713	0.7
341.13950	3.4
536.92792	0.6
650.23462	0.9
681.51410	1.7
682.25049	1.0
682.37354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.4
55.01859	4.2
55.05500	59.7
56.05823	4.8
57.07051	4.8
67.05501	17.2
69.03421	14.8
69.07063	28.0
69.60789	14.9
70.06604	4.3
71.04969	8.1
73.02892	4.1
77.03944	4.2
79.05477	20.6
80.22134	3.7
81.03396	9.5
81.07045	37.5
82.06516	4.7
83.04971	15.6
83.08595	12.0
84.48162	3.9
85.02901	27.9
85.06514	7.7
85.20703	3.9
91.05471	24.7
93.07030	97.6
95.04954	10.5
95.08585	30.9
97.02883	14.5
97.06503	4.5
98.09673	4.6
99.04437	7.5
100.11240	59.3
101.11568	20.5
105.07013	48.1
107.04967	8.2
107.08575	60.3
109.02872	9.0
109.06511	43.9
109.10161	35.9
111.04418	8.7
111.11691	4.8
114.17797	3.8
117.07027	7.7
119.08557	33.6
120.08136	3.7
121.06482	6.6
121.10123	61.5
123.04449	4.5
123.11681	12.9
127.03880	11.0
128.06163	5.6
128.07069	5.5
131.08563	15.1
133.02840	18.2
133.06445	8.9
133.10101	16.5
134.03181	4.9
135.04428	4.4
135.07988	6.3
135.11664	100.0
137.05978	40.2
137.09590	8.1
138.06277	4.7
139.08656	4.6
139.11185	6.8
143.08606	5.8
145.04892	5.3
145.08556	3.9
145.10089	30.0
147.04416	6.4
147.11667	4.8
149.13251	5.9
151.03902	10.7
151.07481	5.9
151.11169	7.9
153.05391	5.0
155.10658	7.7
157.10097	5.2
159.08008	5.2
159.11697	21.5
161.09525	4.2
161.13255	18.9
163.03900	5.4
163.07617	7.4
163.11157	10.0
165.05473	7.0
166.08607	6.7
167.07008	29.5
168.07346	5.2
169.10161	4.7
173.13190	6.4
175.03810	7.1
175.07564	17.9
175.14771	7.8
176.07912	5.7
177.05438	7.5
177.12576	3.8
179.10725	4.4
182.15439	8.1
183.15733	9.4
187.07462	6.0
189.09074	5.3
191.07031	7.3
199.07382	5.1
201.16307	32.7
205.04919	10.2
209.16479	11.0
210.14853	16.6
210.16812	13.1
211.15179	16.3
211.17035	6.0
212.15488	6.2
219.17422	69.0
290.08945	4.4
321.11038	6.1
339.12234	11.7
340.12579	8.1
595.21765	4.6
633.59613	4.8
650.23090	9.6
663.50208	15.9
681.51611	99.4
682.24768	12.1
682.51563	23.7
683.25610	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72191	2.2
53.05775	2.2
53.15326	2.2
57.47537	2.1
61.02947	4.0
66.10069	2.2
66.15609	2.2
67.05477	5.1
69.03434	5.0
69.07050	6.6
70.03423	4.9
70.07906	2.5
74.33102	2.7
79.05479	3.5
81.03407	4.9
81.07043	27.2
83.08634	2.8
85.02885	24.6
91.05453	5.4
93.07046	13.7
95.04968	2.8
95.08585	17.5
97.02879	9.1
105.07022	26.3
107.08582	28.0
107.56599	2.3
109.02864	2.7
109.10155	13.4
119.08556	25.6
121.10151	18.5
123.11681	8.5
127.03889	4.5
131.08585	18.1
133.10107	28.0
135.08107	2.8
135.11690	14.2
137.09561	3.4
143.08588	4.5
145.04973	4.4
145.10089	33.3
147.11664	21.4
149.13252	8.7
157.10083	4.2
158.10863	4.0
159.11679	34.3
161.13254	15.8
163.11194	10.7
163.14828	9.1
169.10066	3.1
171.11691	8.4
173.13228	36.4
175.14796	24.7
177.16377	19.5
179.10699	2.2
180.08653	12.1
185.13167	11.1
187.14786	72.2
188.15137	2.5
189.16354	73.2
191.17880	3.6
193.12183	4.5
199.14786	4.4
201.16364	8.6
203.14322	2.9
203.17975	5.8
205.15845	72.4
207.17407	29.6
213.16327	5.4
215.17906	4.6
217.19391	2.4
219.13759	9.8
219.17233	3.5
221.15361	6.6
231.13838	3.3
233.15337	54.8
375.30392	3.5
393.31448	66.2
411.32321	12.6
421.30997	18.2
439.32013	100.0
440.32434	6.3
450.33649	2.7
457.33035	10.3
467.31491	41.8
485.32428	7.1
672.88739	2.5
682.40692	7.3
683.32269	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	682.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.0
67.05491	20.6
69.03426	13.1
69.07059	14.4
76.00222	7.1
79.05504	21.5
81.07047	49.0
85.02897	30.0
86.98563	7.1
91.05486	29.8
93.07038	43.4
93.07541	6.8
95.08587	77.3
97.02871	11.8
97.06509	7.7
105.06987	54.3
107.08573	95.5
109.10127	62.6
111.08046	10.1
117.07050	8.3
119.08559	78.8
121.10134	57.0
123.11667	10.0
125.09595	78.2
127.03903	7.7
131.08545	21.6
133.10095	100.0
135.11693	34.7
137.05997	7.3
137.09570	7.7
143.08585	12.5
145.10098	57.4
147.11655	46.6
149.09628	10.0
149.13225	10.6
156.42143	7.4
157.10152	9.6
159.11673	63.2
161.13246	27.9
163.14822	22.9
171.11662	16.5
173.13226	54.1
175.14824	63.1
177.16266	9.6
178.35295	6.9
185.13199	15.8
187.14784	33.9
189.16389	20.4
192.84047	8.4
193.15840	79.1
197.13245	12.1
199.14854	18.4
201.16330	53.2
203.14488	8.1
203.17989	9.4
203.33636	8.8
205.12170	15.4
205.15903	21.3
207.13795	20.6
213.16435	13.5
215.17886	12.0
219.13850	13.0
231.17513	8.1
233.15408	18.5
247.17001	15.7
291.15979	11.1
313.21545	17.5
315.23135	14.6
334.96866	9.1
353.28046	8.4
359.21875	11.5
373.23639	28.1
393.31662	13.1
409.31287	8.6
421.31042	52.7
427.31967	32.8
439.32034	74.8
457.33221	12.6
467.31454	83.5
468.31534	8.2
485.32623	47.2
503.33795	78.4
682.42157	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	683.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34188	3.0
53.70776	3.8
58.99873	3.8
67.37132	3.0
71.47353	3.6
73.04728	5.0
75.18966	3.7
77.00894	8.3
82.14349	4.6
83.01431	3.2
91.05780	13.1
95.01942	4.9
137.06001	6.5
149.04475	3.4
187.08134	4.6
197.10196	7.3
201.09717	5.6
215.11261	33.4
217.10728	5.0
225.04546	4.7
225.13406	6.7
231.10739	9.8
233.12347	8.8
234.74815	3.7
239.11333	6.4
241.12968	4.3
243.14377	32.4
253.12782	53.4
257.12259	5.1
261.15414	5.3
271.13855	43.1
287.47946	4.1
317.19531	21.6
335.20566	54.5
353.21689	88.9
354.21927	7.0
359.02866	7.4
371.22733	100.0
372.22968	7.3
394.24353	4.8
429.08792	5.4
550.47260	3.8
665.43872	4.3
683.31293	11.2
683.45367	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
53.26357	0.4
53.54701	0.4
55.01860	5.6
57.03419	1.1
58.49535	0.4
59.04985	1.4
61.02896	0.6
66.76103	0.4
67.05502	0.5
69.03058	0.7
69.03419	11.1
70.06576	0.6
70.71984	0.8
71.04963	0.9
73.02899	1.5
73.04742	0.6
79.05442	0.8
81.03402	6.7
83.04951	0.9
84.08141	0.5
85.02892	8.1
87.04459	5.4
91.05759	1.5
95.04942	1.1
97.02877	17.9
99.04443	2.0
103.03907	0.7
107.04919	0.8
109.02864	10.4
111.04415	2.6
113.02385	0.5
113.22063	0.4
115.03911	100.0
116.04256	1.0
121.02847	0.6
121.06448	0.4
123.04434	0.9
125.02335	1.0
127.03896	10.0
133.04953	11.7
135.04372	1.0
137.05907	0.7
139.03877	1.8
143.03384	0.7
145.04910	2.7
149.05986	0.8
151.03883	2.5
153.05396	0.7
157.04935	1.8
163.03873	1.3
169.05000	0.7
177.05437	1.9
181.04887	2.0
187.06081	1.2
193.04941	0.9
194.66158	0.5
195.06566	0.8
199.06000	1.4
205.04990	1.2
211.05984	1.5
217.07018	1.4
223.05965	3.9
229.07080	1.4
241.07018	6.1
259.08087	17.0
265.07028	0.6
277.09137	22.8
301.09088	0.9
337.09027	1.2
349.08978	0.7
355.10358	2.3
367.10150	1.4
373.11185	6.8
385.11169	1.0
391.12189	1.6
403.11685	0.4
429.08704	0.8
460.72879	0.4
463.12354	0.6
481.13391	4.7
499.14471	8.0
517.15393	4.1
518.16211	0.6
535.16278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
53.26357	0.4
53.54701	0.4
55.01860	5.6
57.03419	1.1
58.49535	0.4
59.04985	1.4
61.02896	0.6
66.76103	0.4
67.05502	0.5
69.03058	0.7
69.03419	11.1
70.06576	0.6
70.71984	0.8
71.04963	0.9
73.02899	1.5
73.04742	0.6
79.05442	0.8
81.03402	6.7
83.04951	0.9
84.08141	0.5
85.02892	8.1
87.04459	5.4
91.05759	1.5
95.04942	1.1
97.02877	17.9
99.04443	2.0
103.03907	0.7
107.04919	0.8
109.02864	10.4
111.04415	2.6
113.02385	0.5
113.22063	0.4
115.03911	100.0
116.04256	1.0
121.02847	0.6
121.06448	0.4
123.04434	0.9
125.02335	1.0
127.03896	10.0
133.04953	11.7
135.04372	1.0
137.05907	0.7
139.03877	1.8
143.03384	0.7
145.04910	2.7
149.05986	0.8
151.03883	2.5
153.05396	0.7
157.04935	1.8
163.03873	1.3
169.05000	0.7
177.05437	1.9
181.04887	2.0
187.06081	1.2
193.04941	0.9
194.66158	0.5
195.06566	0.8
199.06000	1.4
205.04990	1.2
211.05984	1.5
217.07018	1.4
223.05965	3.9
229.07080	1.4
241.07018	6.1
259.08087	17.0
265.07028	0.6
277.09137	22.8
301.09088	0.9
337.09027	1.2
349.08978	0.7
355.10358	2.3
367.10150	1.4
373.11185	6.8
385.11169	1.0
391.12189	1.6
403.11685	0.4
429.08704	0.8
460.72879	0.4
463.12354	0.6
481.13391	4.7
499.14471	8.0
517.15393	4.1
518.16211	0.6
535.16278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01863	5.1
57.03424	0.6
58.02790	0.2
59.04990	1.6
59.34625	0.2
61.02912	0.3
64.32650	0.2
69.03419	10.2
69.88448	0.4
70.07551	0.1
71.04963	0.3
73.02907	0.9
81.03403	4.0
83.01304	0.2
85.02892	4.9
87.04456	4.8
90.69492	0.2
95.04935	0.2
97.02875	14.0
99.04453	1.1
103.46684	0.2
109.02866	4.1
111.04427	0.3
115.03910	100.0
116.04244	1.3
122.17105	0.1
122.19762	0.2
127.03899	5.7
133.04942	12.8
136.61349	0.2
144.57196	0.1
145.04922	2.8
150.18176	0.2
151.03903	0.4
153.05457	0.2
157.04904	0.2
163.05994	0.3
165.05496	0.3
169.04851	0.2
175.05937	0.3
181.04883	0.2
187.05965	1.0
193.05061	0.2
195.06464	0.2
199.05957	0.2
205.04880	0.2
205.07016	0.2
211.06020	0.5
217.07011	0.3
223.05962	0.7
229.07031	0.6
236.66321	0.2
241.07025	2.1
259.08084	11.7
260.08435	0.2
276.10797	0.2
277.09137	19.4
278.09488	0.5
301.09161	0.6
337.09012	0.2
355.10135	0.5
367.10016	0.4
373.11102	1.4
391.12198	0.6
481.13235	0.5
499.14398	1.0
517.15204	0.5
535.16937	0.2
633.53870	0.2
701.78485	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	684.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27792	1.1
53.03931	1.7
55.01830	1.4
57.03420	1.4
69.03416	11.5
71.04977	3.9
73.04752	2.6
79.05478	1.3
81.03400	9.8
83.04934	1.3
85.02893	10.5
87.04456	2.0
89.03897	9.0
91.05373	9.1
93.07008	2.3
95.04951	2.3
97.02878	8.6
98.22679	4.3
99.04464	2.1
103.05440	2.9
105.04502	1.3
105.07017	2.3
107.04932	11.4
109.02858	3.0
115.03897	4.1
115.05402	1.4
117.03353	31.3
119.04922	17.3
121.06460	3.1
122.03619	2.4
123.04399	1.6
124.05196	1.4
127.03902	4.9
129.07022	1.3
131.04909	2.7
133.02827	36.1
133.04973	2.7
133.06523	2.3
135.04396	5.7
137.05956	48.2
143.04881	2.6
145.02821	85.8
145.06436	2.2
146.03177	1.7
147.04384	15.6
149.05945	25.6
150.06734	6.6
151.03854	1.8
151.07529	4.9
157.03906	1.7
160.05179	2.4
161.02382	2.5
161.05934	9.3
162.06737	5.7
163.03908	11.0
163.07463	1.4
165.05463	6.8
172.05197	1.5
173.05952	4.8
175.03873	25.5
175.07480	14.8
177.05435	100.0
179.07004	10.8
186.03072	2.1
187.07538	5.7
193.04958	3.0
201.05429	46.4
203.06926	1.4
205.06483	4.1
205.08611	3.3
205.75273	1.2
207.06473	1.8
213.05423	2.7
221.05948	1.2
222.06732	2.9
229.03180	2.1
231.06483	3.9
233.05898	7.5
234.06673	4.1
235.09601	4.0
237.09183	1.8
247.29887	1.3
249.05373	1.6
249.09122	1.4
250.06241	2.6
254.37292	1.5
261.05368	3.0
262.06171	3.5
263.07101	1.7
264.07794	2.2
265.08630	8.8
275.06958	1.6
277.08517	3.8
279.10260	1.9
288.48489	1.2
290.05637	2.4
292.07187	3.3
293.07858	6.2
294.08612	1.9
297.11346	3.0
299.05920	1.5
305.07831	5.2
307.09573	5.6
325.10654	64.4
326.11078	2.8
337.10687	12.7
341.13828	1.8
343.11554	6.6
355.07431	1.4
355.11688	41.7
356.12061	2.4
359.02936	3.3
373.12741	4.2
409.68179	1.3
429.08957	2.4
462.53430	1.4
465.79953	1.5
469.14951	5.4
487.15985	12.0
499.15924	2.3
517.17047	4.0
613.14453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03944	0.9
55.01857	1.3
57.03409	0.8
61.60585	0.6
66.66821	0.6
68.57742	0.6
69.03408	2.0
72.18740	0.6
73.04749	1.6
77.03927	0.7
79.05467	1.3
81.03394	3.0
85.02895	2.7
89.03885	5.2
91.05418	8.5
93.07037	1.3
95.04952	1.5
97.02879	1.9
99.85432	0.7
99.87862	0.6
100.11256	1.1
103.05444	2.7
105.03368	2.0
105.04491	0.9
105.07014	3.6
107.04948	1.9
109.02886	1.2
109.06500	0.9
111.04410	1.3
115.03919	2.2
115.05454	1.9
117.02559	1.2
117.03365	15.9
117.06934	0.8
119.04070	0.7
119.04917	13.6
119.08508	0.7
121.06466	1.8
121.66168	0.6
122.03632	2.4
124.05211	0.9
126.68328	0.6
127.03901	1.2
130.04170	0.9
131.04918	2.3
133.02831	34.1
133.06477	2.5
134.03610	1.4
135.04391	4.1
137.05959	28.1
141.06987	0.9
143.04895	1.5
145.02823	40.8
145.06502	1.6
146.03259	0.8
147.04385	15.7
148.41182	0.6
149.05960	17.8
150.06741	5.9
151.03853	1.5
151.07521	2.3
157.03934	1.1
157.06451	0.8
158.03560	1.3
160.05180	1.5
161.02338	1.2
161.05951	8.3
162.06755	4.6
163.03897	5.2
163.07545	1.4
165.05446	4.4
169.06499	1.0
173.05951	6.6
173.57217	0.7
175.03873	17.0
175.07506	2.2
177.05446	100.0
178.05789	1.8
179.07010	3.3
186.03070	2.7
187.07510	2.0
189.05400	0.9
189.06967	0.8
191.07008	1.8
193.04903	2.7
197.06165	0.8
201.05434	52.8
202.05659	1.1
203.05107	0.6
203.07010	2.2
205.04825	1.1
205.06470	4.4
205.08183	0.9
206.07254	1.5
213.05405	3.2
215.07045	1.2
218.07333	0.7
219.08046	1.0
221.05862	0.7
221.08037	0.8
222.06686	2.2
229.08496	1.7
231.06432	3.4
233.05951	5.0
233.07962	1.2
234.06679	2.7
237.09099	2.1
245.05876	0.9
245.08133	1.2
247.07536	1.3
249.05324	1.6
249.09036	1.4
250.06235	2.5
251.06915	1.5
257.08035	2.5
261.05429	2.0
262.06079	1.9
263.06897	1.3
264.07697	2.3
265.08524	4.1
275.06610	0.8
275.09213	1.0
276.07660	0.7
277.04831	1.2
277.08493	2.6
278.05875	1.2
279.06540	1.3
279.10129	0.9
290.05759	2.4
292.07227	3.8
293.07910	3.4
294.08716	1.5
295.09598	0.8
305.07999	2.4
307.09622	3.2
309.11102	1.1
317.07962	0.9
319.09662	0.8
325.10645	48.6
326.11011	2.2
335.08905	1.0
337.10687	7.8
346.14835	0.7
349.10641	1.0
355.11703	19.7
356.11972	0.8
359.02896	1.5
363.10974	0.9
386.27966	0.7
391.11847	0.9
429.08801	1.6
433.12753	1.4
451.13785	2.0
469.14740	2.9
487.15912	3.7
499.15143	0.9
512.93005	0.8
517.16644	1.6
628.81470	0.7
683.48944	0.7
685.24762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23013	0.7
55.58894	0.7
69.03426	3.7
73.04753	1.8
75.04472	4.3
79.05495	1.0
81.03429	4.7
81.07065	1.2
85.02894	26.5
91.05476	5.6
94.04163	0.8
95.04968	1.5
97.02871	4.8
98.22670	1.3
99.04443	2.6
103.03941	6.3
103.05470	1.0
105.07014	1.6
107.04962	1.1
108.04449	1.1
109.02869	3.1
109.06524	1.1
115.03909	0.9
117.05479	100.0
118.05840	1.3
119.04948	5.1
121.06504	1.8
122.03649	1.6
126.71842	0.7
127.03896	7.5
129.07001	2.8
131.04926	2.5
132.44930	0.8
133.06465	1.0
135.08051	1.9
137.05954	39.9
138.06271	1.0
145.04929	12.9
145.06168	1.1
145.06474	0.9
149.05981	4.6
151.03900	1.8
151.07516	36.0
157.06448	4.4
161.05956	6.3
161.09599	1.9
163.06007	15.1
163.07547	12.6
165.06938	1.1
165.09116	1.7
167.05537	1.1
167.08588	2.8
174.06802	2.6
175.07515	4.6
177.09099	10.3
178.07729	1.3
179.88722	0.9
189.09071	12.6
193.06572	1.7
193.10141	1.9
194.07295	0.9
195.08058	5.6
195.09637	0.9
199.06073	0.9
201.09059	1.1
203.07008	0.8
207.08122	1.0
207.10202	2.4
209.07977	1.6
212.08232	1.1
213.09186	1.3
217.06950	1.5
219.10204	2.5
221.05968	1.9
221.09616	2.9
221.11635	1.6
223.07472	4.4
225.09128	2.8
227.10619	10.6
229.06927	1.3
237.09070	1.4
240.07692	1.1
241.12225	0.9
247.08112	1.1
249.09033	1.4
249.11282	1.9
253.08479	5.4
253.12225	4.6
255.06325	0.9
255.07452	1.0
255.10115	10.5
257.08005	1.1
265.08484	1.1
267.10144	2.6
269.08234	1.4
269.11749	1.5
271.07986	2.9
272.10516	1.0
277.09058	4.9
281.11703	2.9
285.11206	7.6
287.12787	17.5
289.09161	3.7
297.11154	2.2
299.12891	4.3
307.10153	3.5
311.12750	3.6
313.14316	16.0
323.51413	0.9
325.14371	1.5
331.15338	66.6
332.15729	3.2
341.14099	1.1
343.15378	12.1
347.12775	1.2
353.13702	1.8
355.07233	1.2
355.15387	2.0
359.02805	1.9
360.02264	1.2
367.15381	2.7
379.15506	1.4
385.16251	1.4
395.14093	0.9
397.16293	2.9
403.15558	1.9
421.16437	6.7
429.08478	1.4
439.17343	3.8
583.21680	1.0
601.22913	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42233	0.7
69.42557	3.9
73.04758	1.8
91.05800	5.3
100.58406	0.9
167.05536	1.2
225.04190	1.0
252.73346	1.1
347.09509	1.8
360.02356	0.9
523.28735	18.4
523.35968	1.4
524.29541	1.1
616.75647	1.0
685.33942	100.0
686.34027	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	685.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25573	1.3
67.76795	1.3
73.04753	2.3
82.06487	1.2
91.05804	6.2
99.52748	1.2
111.69023	1.3
120.38046	1.1
134.98505	1.1
143.58218	1.3
167.05527	1.8
169.50598	1.4
203.05403	1.4
238.74417	1.5
259.08121	1.4
276.55450	1.1
347.09375	1.5
359.02545	1.3
365.10767	2.3
429.08893	1.7
433.50809	1.3
523.28778	16.6
527.14862	1.2
685.33911	100.0
686.34204	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	686.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01878	2.8
68.93473	1.2
69.03426	5.6
70.67671	2.0
81.03397	10.6
83.04939	1.6
85.02885	5.9
86.09690	1.3
87.34985	1.3
89.03916	2.4
91.05473	4.5
93.07006	1.3
94.04183	1.8
95.04974	2.3
97.02865	7.3
103.03970	1.6
103.05444	2.9
105.07026	3.5
107.04955	3.2
109.02878	5.0
111.04418	2.5
115.03918	5.4
115.05463	2.6
117.03329	6.5
119.04917	5.9
121.06494	3.3
122.03644	3.8
125.06031	1.3
127.03921	5.3
131.04932	4.8
133.02838	1.6
133.06465	4.1
135.04379	2.2
135.08012	2.2
137.05957	99.1
138.06332	1.4
141.07005	2.4
143.03384	1.6
143.04921	2.5
145.02809	17.4
145.06458	2.6
147.04395	6.2
149.05980	7.4
150.06796	1.8
151.03940	3.2
151.07518	7.0
153.05492	2.0
153.06914	1.3
155.04913	1.7
159.04497	1.5
160.05135	1.3
161.05957	51.2
162.06743	3.7
163.03903	5.4
163.07529	8.2
164.04453	2.3
165.05464	1.7
165.06975	1.7
166.08603	3.0
169.06480	4.3
174.06763	2.4
175.07510	12.1
177.05449	29.6
177.06956	2.0
179.07019	71.2
183.04486	1.5
185.05890	2.3
187.07568	2.7
188.04759	1.7
189.05446	2.2
189.09135	1.5
191.06979	11.3
193.06410	1.9
194.07187	2.0
197.05962	5.3
197.08012	1.9
199.07672	1.8
201.05431	2.0
201.09135	2.1
203.07007	100.0
204.07385	2.9
205.04904	1.7
205.08568	3.0
207.06435	2.3
209.08096	4.1
210.06689	1.5
211.07678	2.6
215.07013	9.2
217.08611	2.9
219.10182	4.0
221.05980	4.9
221.08092	3.8
223.06039	4.7
225.05573	1.4
225.09122	5.1
229.08606	8.9
233.08047	9.3
237.09044	3.5
239.08882	2.5
241.07060	5.0
245.08072	4.8
251.06703	1.7
253.08685	5.3
257.08044	16.2
263.09177	4.9
265.08652	4.6
267.10178	3.5
269.08054	3.5
275.09201	9.4
277.08539	2.4
281.10297	1.8
283.09653	5.3
285.11182	10.0
287.09042	4.5
293.10309	2.3
295.09756	2.7
297.11221	11.5
305.10104	4.0
309.11172	6.3
321.11057	2.2
323.11359	4.5
325.10690	2.0
327.12262	24.1
329.10129	1.3
331.15448	1.6
339.12308	4.4
351.12119	2.1
365.12637	1.7
435.14365	2.6
437.14081	2.4
453.15427	8.2
461.14273	2.9
465.15286	2.6
471.16483	8.2
483.16507	2.5
489.17603	5.4
585.19159	1.8
687.16760	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	686.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.7
55.01861	9.3
55.05502	26.7
55.30965	3.5
55.98995	2.8
57.03424	7.1
57.07069	37.5
59.05016	4.1
60.36527	3.1
61.02908	13.6
63.24000	3.3
67.05497	92.4
69.03420	27.4
69.07059	25.7
71.08619	28.1
72.87125	3.5
73.02916	7.3
73.04742	5.4
79.05482	71.2
81.03402	32.2
81.07042	100.0
83.04958	7.5
83.08611	22.8
85.02911	17.4
85.03361	3.3
85.10163	14.7
87.04422	4.5
91.03938	7.9
91.05435	49.4
93.07033	70.6
93.99035	3.2
95.04951	18.4
95.08589	84.7
97.02869	39.9
97.06512	7.1
97.10155	11.5
99.04441	6.5
99.08099	4.5
105.04494	3.5
105.07019	34.2
107.04936	4.7
107.08582	37.3
109.02844	11.8
109.06516	4.9
109.10125	40.7
111.04415	5.9
111.08036	4.6
115.03901	77.5
117.07021	18.6
119.08562	29.1
121.10147	35.1
123.08066	5.7
123.11682	16.5
127.03912	18.2
129.07004	9.8
131.08542	28.2
133.10117	27.9
135.08008	4.6
135.11673	22.5
137.13222	4.3
141.06976	4.5
143.08513	11.1
145.04938	7.7
145.06375	4.7
145.10123	26.2
147.11632	17.5
149.13239	16.1
151.11087	3.7
155.08511	7.8
157.10063	7.2
159.08009	3.9
159.11658	26.9
161.13237	14.0
163.05995	8.5
163.14822	10.1
167.05518	3.4
169.10144	7.8
171.11647	9.1
173.13211	16.1
173.17793	3.7
175.14815	7.9
185.13190	7.6
187.14764	8.0
193.04938	4.4
199.14709	4.0
201.12714	4.0
201.16307	4.7
209.13190	3.8
223.14745	4.1
241.15961	3.7
241.19403	3.5
243.21060	13.9
253.25410	16.4
259.20557	8.5
261.22095	48.3
271.26328	3.8
285.22070	5.2
315.23114	6.9
323.23633	4.0
327.28876	80.0
335.25601	5.7
339.23068	6.8
345.23959	4.6
345.30087	25.5
351.23083	13.7
357.24268	16.5
369.24380	17.1
373.24429	3.6
375.25296	31.3
387.25244	8.1
392.85699	3.6
429.11826	4.4
483.27213	15.8
494.05615	4.8
501.28506	13.2
519.29187	10.6
649.78052	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	686.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.1
57.03429	4.2
57.06810	2.6
57.07069	25.6
61.02923	11.9
65.54414	1.4
67.05494	6.9
69.03422	4.2
69.07046	6.5
71.08627	17.0
73.02911	1.9
73.04742	2.3
74.04687	1.6
81.07047	11.2
83.08622	9.8
85.02892	18.3
85.10184	9.1
91.03951	10.8
91.05794	3.4
93.07027	1.6
95.08601	17.3
97.02889	8.9
97.10161	4.7
109.10135	7.8
123.11717	2.9
124.08244	1.6
124.22501	1.5
127.03912	6.7
133.89729	1.5
145.04965	7.4
149.02356	2.3
163.06006	7.1
193.04994	3.0
194.61151	1.7
239.23653	21.5
257.24698	3.3
284.29358	3.4
313.27325	100.0
314.27728	6.5
331.28381	51.4
331.31506	1.2
332.28912	2.3
429.12103	1.8
429.40271	1.5
686.38666	9.0
715.56335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.0
56.86316	1.1
57.03436	4.3
57.07071	41.5
61.02921	14.7
67.05495	12.8
69.03430	1.7
69.07072	6.7
69.30423	5.8
71.08623	31.0
72.10730	0.9
73.02901	5.8
73.04704	1.0
75.04480	3.5
79.05483	1.1
81.07046	17.1
83.08597	10.4
85.02892	18.7
85.10175	17.4
89.06005	1.4
91.03957	14.2
91.05807	3.6
92.75018	1.0
95.08591	26.4
97.02888	7.0
97.10156	10.7
99.04426	1.4
109.10133	9.4
111.11727	3.9
121.10130	1.0
123.11715	5.0
127.03897	5.1
137.13234	3.1
143.46397	1.0
145.04959	6.6
149.02374	1.1
151.14775	1.9
163.05984	10.3
167.05579	1.1
174.45140	1.1
191.80663	1.1
235.24188	1.9
253.25200	24.5
253.27650	1.6
271.26303	4.6
284.29709	1.1
285.22659	1.2
327.28891	100.0
328.29391	3.7
345.29932	32.1
622.27051	1.1
646.71356	1.3
654.27197	2.2
654.41278	1.3
717.07404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
53.03944	1.3
55.01842	0.9
55.05501	11.5
56.24059	0.7
57.03429	12.7
57.07066	2.4
59.04988	4.2
61.02924	4.8
65.03930	1.8
67.05495	100.0
69.03419	1.2
69.07063	9.4
71.04984	4.0
73.02925	0.9
79.05482	23.5
81.07043	41.0
83.04980	0.9
83.08600	8.4
85.02897	3.5
85.06537	2.6
87.16208	0.7
91.03941	2.1
91.05466	13.7
93.07030	27.6
95.04971	2.1
95.08591	26.9
97.02873	2.2
97.06530	1.0
97.10142	1.0
99.08093	1.2
105.04517	1.2
105.07024	8.1
107.08580	18.3
108.08982	0.8
109.06496	1.2
109.10136	72.1
110.10496	0.9
111.08083	4.2
117.07010	2.8
119.08560	11.2
121.10109	9.7
123.08022	1.2
123.11695	4.2
125.09679	1.4
131.08560	5.4
133.10094	5.5
135.11674	7.1
137.09613	3.3
145.10065	4.3
147.11691	3.3
149.13235	3.9
155.10654	6.0
159.11649	3.5
161.13252	2.1
163.14827	2.2
173.11740	17.3
173.13226	2.9
175.14810	1.2
177.16397	1.0
187.14708	1.6
189.11215	1.3
227.12788	2.3
229.14310	73.3
230.14671	0.9
243.21104	4.7
261.22061	13.2
317.24771	3.5
335.25757	62.3
336.26212	1.8
397.31033	0.9
415.32214	0.8
484.07721	0.8
489.35696	48.3
490.36176	1.8
507.36816	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	686.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.5
57.03424	8.7
57.07061	3.8
59.04998	2.6
61.02915	5.3
67.05495	100.0
69.07057	7.5
69.95146	4.5
69.95471	3.8
73.04736	3.8
75.08031	2.1
79.05483	20.3
81.07042	35.4
83.08592	8.7
85.02895	2.7
91.05466	7.1
93.07027	25.1
95.04961	3.5
95.08586	25.2
97.02896	3.2
98.23370	4.0
101.66947	2.1
105.07037	5.8
107.08590	13.3
109.10139	78.7
117.06983	2.7
119.08554	6.9
121.10128	10.9
131.08482	5.6
135.11665	6.9
137.09612	4.6
145.10086	3.8
147.11674	5.3
149.13245	3.1
155.10667	2.7
159.11743	4.4
161.13242	4.3
173.11711	22.4
173.13234	5.6
178.45778	2.5
205.04897	4.3
229.14314	84.3
230.14719	2.8
243.21008	3.5
261.22137	16.5
317.24704	3.7
335.21747	3.3
335.25729	52.3
489.35660	31.5
690.54315	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	687.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21160	0.5
69.03401	0.7
70.06559	1.0
70.32233	1.0
70.32556	0.6
81.03345	0.5
85.02850	1.5
95.07263	0.7
97.02818	1.7
107.11021	0.7
120.08052	0.7
127.03848	0.8
136.07487	0.7
137.05937	3.5
138.06235	0.9
138.09120	1.4
145.02832	0.7
146.03235	0.6
151.03799	0.8
151.07433	0.7
153.05215	0.6
157.84526	0.6
161.05904	2.2
162.06300	1.1
163.03825	1.5
163.07513	0.6
166.08536	1.5
167.08902	0.6
177.05348	1.4
177.16376	0.6
179.06932	1.5
189.08940	0.6
191.03081	0.9
203.06927	2.6
204.07281	2.1
204.19470	0.6
205.04733	0.8
213.07269	3.4
219.10072	1.2
221.08118	0.5
227.05138	0.6
228.61873	0.6
271.09503	0.6
297.09262	0.7
357.11411	10.8
446.74356	0.5
465.13800	1.7
493.17969	1.5
525.15704	100.0
526.16003	4.2
550.48492	0.6
687.20929	24.6
688.21265	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.6
55.67233	0.4
65.93604	0.6
67.05502	0.6
69.03435	1.1
69.07050	0.6
70.06576	0.7
70.16737	0.9
70.17068	0.6
79.05481	0.6
80.96305	0.4
81.07056	1.2
82.57921	0.4
85.02897	0.9
86.09746	0.5
91.05450	0.8
93.07039	1.3
94.90433	0.5
95.08586	1.1
97.02850	0.7
97.06556	0.7
98.23591	0.4
103.05453	1.6
104.05766	0.5
107.08595	0.8
109.10146	1.3
115.03921	0.6
119.08546	0.7
121.10089	0.5
131.04909	4.8
132.05264	1.4
133.10156	0.4
137.05949	2.7
137.09627	0.9
149.05890	0.5
163.07562	1.8
163.23489	0.4
164.07912	0.6
165.09143	0.8
169.04759	1.6
185.04228	3.2
227.05246	1.5
257.06342	1.3
277.70816	0.5
287.07254	0.5
313.08838	0.5
314.48151	0.5
321.24362	0.7
329.08414	3.2
344.12540	1.3
453.13602	1.8
648.86121	0.6
687.22461	100.0
688.22833	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	687.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60156	1.5
58.92918	1.3
63.63245	1.4
63.83150	1.5
64.14783	1.3
71.44571	1.8
89.79441	1.3
91.05783	3.4
92.65854	1.5
116.46117	1.7
158.17105	1.4
287.18503	1.5
377.08847	1.5
428.43893	1.9
436.04422	1.4
511.80841	1.7
668.62036	1.7
685.23999	2.0
687.29663	100.0
688.29462	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	687.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
55.05505	16.6
57.07063	10.4
59.04988	4.7
65.03919	2.1
67.05495	24.6
69.03416	6.4
69.06709	4.1
69.07059	59.5
70.06570	2.8
71.04963	5.5
71.08601	5.7
79.05480	12.4
81.03404	2.6
81.07047	100.0
82.07392	4.8
83.08598	19.9
85.02875	14.2
85.06532	16.4
85.63743	1.9
86.09685	3.4
91.05466	8.1
93.07037	32.4
95.04990	4.5
95.08592	76.9
97.02882	4.3
97.06504	8.1
97.10156	10.2
99.08086	10.4
105.07006	9.0
107.08580	34.8
108.08926	3.4
109.10144	34.4
111.08062	15.8
111.11721	16.9
113.09639	2.8
119.08559	7.2
121.10110	17.2
123.11690	33.2
123.77697	2.1
125.13273	2.9
125.67373	2.2
127.11178	8.1
133.10091	5.0
135.11700	17.1
136.07613	2.5
137.05951	9.0
137.09596	2.5
137.13237	32.4
138.06329	1.9
139.11172	2.4
147.11679	4.5
147.82671	1.9
149.09601	2.5
149.13234	34.1
151.03996	2.7
151.07487	2.3
153.12708	22.2
155.14246	6.9
161.05977	3.5
161.13275	3.0
163.14839	6.7
165.08987	3.3
166.99925	2.0
167.06996	6.2
167.14272	6.8
171.13785	6.6
173.15343	8.4
175.07529	2.6
177.16302	3.8
190.40796	2.1
203.17934	2.2
205.19511	2.4
217.19389	2.3
223.20471	2.3
239.23857	2.2
241.21681	3.0
273.25674	2.9
279.26743	7.9
279.29715	2.1
291.26813	26.8
297.27728	7.2
304.23364	3.3
304.33698	2.1
309.27829	59.2
315.28787	9.5
322.24561	7.0
327.28870	16.4
328.00204	2.2
345.30008	29.4
499.28592	5.4
505.65524	2.3
657.25891	2.3
687.23669	20.4
687.35742	43.4
687.48047	4.8
688.22601	3.3
688.36420	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	688.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
56.17929	0.8
62.95801	0.8
65.03922	2.0
67.05472	1.9
69.03422	1.1
69.13478	2.5
69.13911	4.0
79.05489	2.9
80.41685	0.9
81.03416	3.1
85.02906	1.6
91.05455	7.2
91.09216	0.8
94.04175	1.4
95.04959	4.9
95.08611	0.8
97.06480	0.9
98.22704	1.7
103.05452	18.6
103.06104	1.5
105.03418	1.2
105.04510	0.9
105.07034	2.3
107.04938	3.6
108.02055	1.0
109.02873	1.6
109.06513	2.3
109.10136	2.1
111.04488	0.9
114.34265	0.8
115.05438	3.0
117.07038	3.6
118.04186	2.6
119.04939	8.1
119.08591	0.9
121.06452	1.6
122.03640	2.6
123.04410	1.8
125.06034	2.0
129.06999	1.8
131.04907	30.9
131.08549	1.1
133.02840	2.3
133.06499	3.7
135.04384	1.3
135.08025	1.9
137.05959	61.2
137.09570	3.4
138.09131	2.5
141.05460	2.0
143.04945	1.8
145.06506	3.2
147.04402	9.5
147.08031	0.9
148.05185	9.3
149.00589	1.1
149.05959	1.9
150.01379	1.0
151.03893	80.8
151.04948	5.2
151.07552	3.3
153.05507	3.1
160.05209	2.0
161.00505	1.0
161.05952	5.5
162.06650	1.5
163.03877	1.1
163.07526	20.4
165.05493	2.3
165.09108	4.1
166.08626	5.3
167.07005	9.0
169.06197	1.1
171.04402	1.5
171.06538	1.2
171.51747	0.8
173.05991	3.2
174.06757	0.9
175.07578	6.3
176.04778	1.5
177.05440	3.5
178.00826	2.1
179.07014	5.7
181.03346	0.9
181.04926	18.0
181.06406	1.5
187.07513	1.6
189.05400	1.3
189.09068	1.9
191.07008	100.0
192.07451	2.0
193.03165	16.3
193.04826	1.7
193.08583	1.6
195.06416	1.0
203.07021	3.5
205.08617	2.9
207.10211	2.2
209.08003	4.1
217.08533	1.1
219.10161	2.3
222.06737	1.0
223.09726	1.6
231.06502	1.3
233.08160	3.0
235.07506	1.5
235.09630	3.2
237.09077	2.0
249.05167	1.2
249.09053	1.7
250.05907	1.1
263.09131	18.4
265.08539	1.8
267.10062	1.4
282.08026	2.7
293.08026	1.1
295.09528	1.9
297.11130	1.6
309.10818	1.5
309.13794	1.2
310.12204	1.1
327.12070	2.2
329.13800	2.0
337.10803	2.0
351.12122	1.5
355.11768	10.8
357.13464	2.1
359.14636	1.3
369.13412	4.7
387.14325	36.3
487.81345	0.8
517.18317	2.0
548.88348	0.9
688.22821	1.7
688.46069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.3
59.13154	0.3
67.05487	0.3
68.99776	0.3
69.03429	1.6
69.07047	0.4
70.63543	0.2
70.92944	0.3
76.69489	0.2
79.05444	0.7
81.07034	0.5
83.01320	1.1
83.04933	0.4
89.03912	0.2
91.05465	1.3
93.07018	1.8
95.04952	0.5
95.08562	0.5
97.06524	0.6
103.05450	0.6
105.03361	0.3
105.07025	1.7
106.04104	0.3
107.08574	1.7
109.06492	0.7
109.10123	0.3
111.08050	0.9
119.04977	0.3
119.08554	0.5
121.02806	0.4
121.06487	3.7
121.10139	2.0
123.11743	0.3
127.82104	0.2
129.07002	0.2
131.04906	4.2
133.06422	0.3
133.10091	2.5
134.03558	0.6
137.09607	0.3
139.11148	0.8
146.73022	0.2
147.04378	0.8
149.02301	0.3
149.05948	2.1
151.11134	0.7
159.04387	3.3
161.02327	0.2
161.05978	0.2
162.03101	6.2
163.07500	0.7
173.05942	0.4
177.05455	2.3
181.06514	0.3
189.05487	0.3
190.02580	14.5
191.03094	0.4
191.06967	1.4
193.04898	1.3
199.03860	1.0
203.03381	0.2
203.06944	0.3
204.04109	0.5
205.04930	100.0
206.05295	2.4
207.06419	0.6
213.05423	0.9
217.04897	0.4
219.06488	15.1
220.06798	0.3
221.04446	0.4
230.05624	0.2
231.06464	1.4
233.08017	2.8
233.10252	0.3
241.08482	0.2
245.08098	2.1
246.07642	0.4
247.05972	2.7
247.09587	1.4
257.08118	0.2
259.09558	0.8
271.09589	0.4
273.11182	8.8
283.09576	0.8
287.12454	0.5
297.11090	0.4
301.10675	1.0
301.14285	1.3
304.97211	0.2
307.04266	0.3
325.14288	12.0
326.14838	0.5
327.15756	0.4
329.17368	1.9
343.15350	40.2
344.15738	1.4
345.16931	0.6
612.21246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05289	0.8
55.05511	10.2
67.05492	1.4
69.03419	1.6
69.29672	3.7
71.00694	0.8
79.05473	0.7
81.07050	3.7
83.01316	1.2
83.04979	58.7
84.05255	0.8
91.05476	2.9
93.07025	2.8
95.04929	0.8
95.08585	1.8
98.22660	1.4
101.14414	0.7
103.05478	1.4
105.03356	1.1
105.07030	2.3
107.08578	2.9
109.06528	1.4
109.10178	1.6
115.05435	1.7
117.07005	1.3
119.08591	1.5
121.06541	3.7
121.10146	1.4
122.47127	0.7
123.11703	1.9
124.36295	0.7
130.49606	0.7
131.04901	3.2
132.30736	0.7
133.10115	2.0
134.10576	0.8
135.08014	1.2
143.04929	5.6
146.37001	0.8
147.04356	1.5
147.07903	0.8
149.05954	1.6
151.11186	5.1
151.86612	0.8
153.05487	1.4
159.04413	1.9
161.05948	1.3
162.03110	5.8
163.07590	0.8
165.05493	3.1
167.07034	1.3
171.04391	6.5
175.07512	1.4
177.05499	3.2
179.07074	0.8
181.05069	0.8
187.07516	1.0
188.04648	1.7
189.05460	1.9
190.02609	16.1
191.03267	1.2
191.07042	4.6
193.04982	2.3
199.03897	20.7
203.03372	1.0
203.07036	2.5
205.04951	100.0
206.05336	3.5
207.06514	3.9
213.09123	1.5
216.04115	1.6
217.04907	1.2
219.06517	8.8
219.10060	1.2
227.06979	1.1
229.08437	1.0
231.06516	8.7
231.10130	0.9
233.08156	2.2
241.08534	1.3
243.06569	1.2
245.08009	2.6
246.07677	1.0
247.09624	2.1
259.05972	9.1
259.09662	1.0
271.09555	2.2
273.11163	3.4
277.07013	6.5
283.09564	1.4
285.11200	1.3
288.72604	0.9
295.13354	2.2
297.11179	5.8
299.12784	15.2
303.15921	3.0
311.16455	1.5
325.14307	3.8
327.12299	1.4
327.15866	4.9
329.17444	2.2
339.15631	1.3
343.11642	2.0
343.15363	13.2
344.15717	1.4
363.15958	1.0
381.16833	5.4
399.21729	0.8
433.23691	1.0
451.17545	3.3
515.20575	2.9
521.21832	1.0
533.21710	10.2
534.21387	0.8
575.32880	2.6
605.15662	0.9
653.31146	7.1
654.31219	1.0
671.32019	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	688.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78383	0.7
54.41862	0.7
55.05498	1.4
57.07064	1.6
67.05492	2.3
68.99779	1.1
69.03419	3.0
69.07043	1.2
75.86987	0.7
77.39075	0.7
79.05476	2.9
81.07040	5.5
83.01320	1.4
83.04961	2.5
89.06017	1.8
89.77090	0.8
91.05470	2.6
93.07033	3.3
95.08603	4.8
97.06541	0.9
100.11250	1.0
103.05457	1.2
105.07021	3.2
107.08622	4.3
109.10142	6.7
111.08078	1.8
119.04914	1.0
119.08569	1.8
121.06475	5.1
121.10135	2.4
123.08049	2.4
123.11679	3.2
125.09616	1.1
131.04889	4.8
131.08565	1.3
133.06427	1.0
133.08607	1.8
133.10094	2.4
134.03650	0.9
135.04369	1.0
135.11696	1.4
137.06062	0.8
137.09586	1.0
145.06419	0.8
147.04401	3.2
149.05969	2.5
151.11194	1.7
153.05412	1.3
158.07127	0.7
159.04405	3.0
161.05925	1.1
162.03076	5.4
164.86769	0.8
165.05467	3.5
171.08049	0.9
173.06004	1.1
175.03862	1.5
176.04691	1.5
177.05453	3.8
177.11183	0.9
177.39519	0.8
179.03372	0.9
179.07031	1.4
188.04727	0.9
189.05421	8.3
190.02591	15.3
191.03340	4.8
191.07034	4.7
192.04190	1.1
193.04929	2.1
193.08621	0.9
199.03922	1.6
199.07545	1.0
201.05420	2.5
203.03362	0.9
203.06982	3.2
205.04939	100.0
206.05336	3.5
207.06511	11.1
207.10077	1.2
215.06989	1.2
217.04965	3.9
217.08437	1.4
219.04491	1.6
219.06506	25.6
227.06898	2.0
229.04912	2.5
231.06488	7.2
233.04437	1.9
233.08031	4.9
237.07449	1.4
241.08643	1.4
243.06430	4.1
245.08104	5.1
247.05864	1.4
247.09644	2.5
257.08020	3.4
259.05966	1.8
259.09671	4.4
261.11200	1.6
269.08069	1.6
271.09628	3.6
273.11133	4.0
279.06757	0.9
283.09677	2.4
285.11102	2.7
292.07367	0.8
293.08011	0.8
295.09576	1.8
297.11172	1.4
299.12802	2.2
301.14380	1.5
311.12497	1.0
313.10635	2.2
313.14114	1.2
321.07529	1.4
323.12622	1.6
325.14276	10.4
327.15839	5.6
329.17383	2.3
333.07462	1.4
335.08856	1.3
337.06909	0.9
337.10733	0.9
337.14484	1.2
339.15930	0.9
341.13751	3.6
343.15347	16.7
344.15518	1.1
347.09018	0.9
349.06912	1.1
350.07639	1.3
353.09973	0.9
355.15134	1.1
361.51257	0.9
365.10175	2.3
381.09808	1.2
405.13449	1.2
411.10538	2.4
417.12939	1.0
437.12100	1.1
463.13797	1.9
477.15283	1.2
501.18573	2.1
519.20001	3.0
529.18213	5.6
531.20062	1.7
533.21802	4.4
535.19727	1.0
547.19495	8.5
548.19598	1.4
549.20892	0.9
557.03656	0.8
561.21155	1.6
585.24402	1.6
589.23303	0.8
597.24664	1.8
615.25635	1.5
653.30975	5.4
661.16827	0.9
671.31970	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	688.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77509	0.7
67.05492	2.4
69.45394	3.0
72.71196	0.6
74.13197	0.7
79.05464	1.0
81.07036	2.9
83.01318	0.9
84.81847	0.7
86.09686	1.4
89.05991	0.8
91.05443	1.6
93.07025	3.1
95.08604	2.6
98.22682	1.3
105.07005	1.1
107.01384	0.7
107.08533	0.8
109.06512	1.5
109.10140	2.0
121.06487	2.9
123.08040	4.2
123.11670	0.8
131.04901	2.5
133.08620	1.0
135.08006	1.9
147.04417	1.4
149.05965	1.9
162.03096	3.1
165.05415	1.9
167.07162	0.7
171.04427	1.0
175.07544	1.1
177.05397	1.7
184.07350	1.9
189.05420	2.4
190.02588	10.8
191.06937	1.2
192.04492	0.7
193.04910	2.9
199.03903	2.6
203.07018	1.0
205.04935	100.0
206.05214	2.9
207.06561	6.1
207.10155	2.8
217.04944	1.3
217.08699	0.8
219.06471	11.6
228.04196	0.8
229.14400	0.9
231.06439	2.7
233.07977	2.6
235.05833	1.2
243.06512	7.6
245.08023	4.9
246.07639	0.7
247.05858	1.0
247.09570	0.9
259.09656	1.2
271.09555	1.9
273.11160	1.2
283.09589	2.2
285.11124	2.4
297.11276	1.4
299.12668	2.1
307.09586	0.9
309.11334	3.5
325.10605	1.8
325.14459	0.8
327.12259	15.2
327.15918	2.5
329.17389	2.2
343.15115	1.2
397.08984	0.8
511.33261	0.7
515.20728	1.0
533.21680	8.7
547.23041	1.1
601.28668	1.0
657.33801	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.4
57.03432	16.7
57.07072	3.5
59.04987	4.4
62.35236	3.0
63.85151	2.9
67.05495	100.0
69.07053	18.0
79.05488	11.0
80.09515	3.1
81.07050	40.3
83.08611	12.8
85.02890	4.5
85.06577	3.9
89.06030	3.1
91.05481	11.5
93.07037	9.5
95.08606	25.5
97.10123	4.4
99.08059	3.9
105.07030	7.3
107.08592	8.3
107.78845	2.9
109.10137	67.6
111.08044	5.4
119.08590	6.6
121.10140	4.9
123.11703	4.2
132.36891	3.0
133.10060	3.7
137.13306	2.8
152.67067	2.8
173.11783	14.8
229.14302	64.3
229.16360	4.9
230.11150	3.2
254.25880	3.3
337.27261	62.1
432.97717	3.1
473.36124	3.1
491.37289	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.3
57.07064	34.4
66.49579	1.2
67.05504	8.8
69.07046	3.8
71.08620	24.9
73.02863	1.4
73.06535	10.4
76.66312	1.3
79.05470	3.8
81.03390	1.6
81.07037	5.3
83.08597	3.7
85.10166	17.6
87.04459	8.9
89.06014	100.0
91.07587	1.5
93.07010	4.0
95.08601	3.9
97.10143	3.5
99.11723	2.9
105.07037	1.6
107.07071	3.3
107.08607	1.3
109.10107	5.2
111.11718	1.6
111.94283	1.5
113.13203	1.8
115.03916	2.5
117.09105	7.3
119.08559	2.1
130.08638	1.9
131.07063	2.9
133.08582	45.3
158.98029	1.4
161.11749	1.9
169.19499	3.3
172.49722	1.3
175.09645	2.0
177.11195	19.5
213.22072	2.1
221.13811	3.6
229.14227	2.6
255.94969	1.4
257.24603	4.2
301.27301	3.7
337.26602	1.7
356.14542	1.4
491.35883	2.6
503.30847	1.7
601.26459	1.5
671.48523	2.7
688.39569	2.0
688.52161	2.3
689.39362	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65416	0.2
65.31505	0.3
70.06580	0.5
71.03519	0.4
79.00843	0.3
85.34000	0.2
86.09705	0.3
98.97602	0.3
106.02364	0.3
106.94041	0.2
115.03939	0.3
140.13547	0.3
169.04753	0.3
183.99217	0.2
299.07437	0.7
367.09952	0.4
385.11249	0.8
413.10568	5.1
431.11566	2.5
553.49585	0.3
557.14673	0.9
575.15784	1.1
661.19794	0.6
689.18896	100.0
690.19220	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	689.2404
Annotation	CE 33D
Peak:m/z	Relative Intensity
50.60030	0.8
107.08547	1.0
113.26031	0.9
137.06001	4.0
159.04027	0.8
169.04669	1.3
185.04234	2.7
228.90538	1.0
237.09268	1.3
244.25362	0.8
257.06561	1.0
265.08685	2.5
294.67590	0.9
297.11169	2.7
329.08496	3.8
500.16031	0.9
688.47516	2.4
689.23981	100.0
690.06189	1.2
690.24835	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	689.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
56.67548	1.1
57.07071	5.3
67.05499	2.4
69.07048	1.9
71.08615	4.3
79.05473	2.3
79.59551	1.1
81.07028	2.9
83.08620	1.2
83.36605	0.9
85.10161	3.2
87.04465	2.1
89.05549	1.5
89.06020	8.9
91.05450	1.4
93.07034	1.7
95.08588	2.0
106.13600	1.2
131.08534	1.2
133.08554	5.2
155.05991	1.0
177.11191	2.0
187.32637	1.1
213.05414	1.6
226.79823	1.3
366.98447	1.2
384.12277	2.2
385.13181	5.8
385.20166	1.3
386.14105	2.5
397.13025	2.2
398.13660	10.0
399.14429	15.1
400.15369	23.4
401.16522	2.5
410.13702	1.6
411.14484	2.4
412.15326	9.8
413.16028	23.7
414.16772	13.2
416.14532	1.6
418.17560	2.1
424.15347	1.7
426.16940	3.9
427.12714	2.3
427.18106	17.7
428.18460	19.6
429.19354	15.1
440.14627	2.3
441.14697	8.6
442.16452	12.2
443.16214	1.5
445.19281	2.1
446.16852	2.0
455.17123	44.1
456.17719	20.3
457.18192	1.4
458.15701	5.3
459.16357	4.8
466.12274	1.5
469.14359	2.3
472.17642	2.4
473.18198	2.3
480.13849	1.7
483.16562	30.8
484.16327	7.9
485.14548	1.2
486.18945	1.5
487.19476	3.5
488.16214	2.4
495.16888	2.4
497.18246	1.6
499.16080	6.8
500.16495	2.4
501.17331	1.4
511.20160	2.5
515.18842	1.4
523.16022	4.5
524.16241	1.6
527.15454	32.2
528.08521	1.8
528.15833	17.2
529.15411	1.5
533.25287	3.8
539.19244	13.1
540.18848	1.5
542.21375	1.7
543.22430	18.5
544.22333	1.9
555.18579	1.6
570.20569	1.6
571.21826	100.0
572.21875	10.3
573.19086	1.9
574.24225	7.6
586.20538	1.7
587.20959	2.7
593.27405	12.0
601.22632	10.9
602.23566	44.3
603.23553	4.8
615.20081	3.2
617.25800	2.8
629.22418	37.1
630.22656	47.3
631.22461	4.5
633.25439	1.5
643.23340	2.1
657.21838	59.4
658.21783	6.8
661.25092	5.7
689.24493	22.0
689.37567	1.9
689.40826	1.9
690.24420	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	689.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24457	0.8
67.05485	2.2
76.51688	0.8
79.05477	0.8
81.07053	1.6
91.05437	1.3
91.38445	0.7
92.33966	0.7
93.07063	0.9
95.08590	1.1
105.07025	0.9
107.08577	1.0
109.10139	0.7
123.04443	1.1
171.11569	0.9
188.40273	0.8
259.05862	0.8
348.52313	0.8
384.12274	1.5
397.12735	2.0
398.13721	6.6
399.14465	3.7
400.16531	6.0
410.13562	1.0
411.14316	1.5
412.15277	9.7
413.16022	11.5
414.16452	1.9
416.14703	2.3
418.17557	2.9
425.16345	1.0
426.16827	2.3
427.17737	10.3
428.18649	13.4
429.19003	1.3
430.16260	1.1
431.17123	1.0
439.13443	1.1
440.14627	2.0
441.14896	3.8
445.18683	1.5
446.17023	2.0
453.15805	1.4
455.17099	47.9
456.17621	7.4
457.15100	2.6
458.15677	4.5
459.16373	3.2
469.14874	2.4
471.16541	2.7
472.17300	3.3
473.18192	2.2
483.16553	37.1
484.16943	5.0
485.18509	1.1
486.18881	2.0
487.20013	6.1
495.16464	1.8
501.17667	2.0
515.19183	3.4
516.20142	1.6
523.15991	2.7
527.14996	6.7
538.17993	1.3
555.18256	2.8
569.20038	1.6
570.20355	3.7
574.24280	11.5
575.24109	2.0
587.21094	3.4
597.19287	1.1
601.22778	8.5
602.23615	100.0
603.23901	12.5
629.22363	26.4
630.22321	4.2
633.25012	3.3
643.24048	4.6
657.21777	17.4
658.21985	2.0
661.24799	4.6
689.24115	5.9
689.35938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94820	1.1
55.05489	2.0
61.02911	2.8
65.46202	1.2
67.05491	4.2
67.60499	1.2
69.03409	1.5
73.02908	1.7
78.99487	1.1
79.05476	3.9
81.03400	1.5
81.07051	2.9
85.02900	3.6
91.05492	2.8
93.07034	4.3
95.08579	2.7
97.02885	1.4
105.06973	1.7
107.08587	1.8
109.10133	1.3
121.10170	2.4
135.11604	1.1
137.12250	1.1
186.69153	1.2
382.03412	1.3
439.19504	1.3
491.25940	2.4
593.93024	1.2
608.70349	1.2
637.18054	1.1
689.28729	100.0
689.38843	31.6
690.28961	4.9
690.39252	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.0
58.63585	0.6
67.05479	1.8
71.04959	0.9
71.44469	0.7
79.05506	1.0
81.07040	2.4
83.01324	1.0
83.04957	3.0
87.69997	0.7
91.05463	1.6
93.07026	3.0
95.08583	2.0
107.04956	0.6
109.10159	3.7
115.03523	0.8
121.06488	4.2
121.10130	1.2
123.08064	0.9
123.11691	0.9
131.04904	2.7
149.05933	1.9
153.12674	1.3
159.04352	0.9
162.03096	6.4
165.05473	1.1
167.07155	0.7
177.05394	1.8
189.05437	0.9
190.02576	18.6
191.03107	0.8
191.07043	1.0
193.05092	1.3
199.03793	0.9
205.04939	100.0
206.05286	2.9
207.06491	2.0
217.04906	0.8
219.06465	9.1
221.09602	0.8
227.06979	1.1
231.06499	1.0
233.08008	2.1
243.06482	2.6
245.08049	1.9
247.09605	2.4
257.07700	0.8
259.09558	1.2
266.78177	0.7
268.80661	0.6
271.09564	3.0
273.11023	0.9
275.12720	6.2
285.11163	1.0
299.12701	1.1
327.12369	1.0
327.15842	11.8
328.16223	1.0
345.16919	31.3
346.17297	0.9
531.19739	2.6
616.60388	0.8
651.57495	0.7
656.87494	0.7
671.31982	1.4
688.54181	1.4
689.35101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3708
Annotation	Callichiline
Peak:m/z	Relative Intensity
52.51234	0.6
61.70127	0.7
62.29288	0.6
66.61819	0.6
67.05508	0.7
69.11551	1.6
69.11948	2.3
93.07011	0.6
98.22683	1.2
107.91598	0.7
168.85307	0.7
185.04233	0.8
203.05266	1.8
259.07925	1.3
347.09683	0.8
365.10455	3.2
421.13184	1.0
502.95895	0.8
527.31824	17.4
528.32495	1.1
689.37067	100.0
690.37482	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	690.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05506	1.2
56.96725	1.1
58.06565	1.2
67.05471	1.2
69.03425	1.9
69.07037	2.3
70.06586	1.6
70.29200	1.2
75.04476	3.6
79.05485	1.4
79.08101	1.1
81.07056	1.9
83.06884	1.1
84.04509	1.5
85.02891	2.6
85.27208	1.2
87.04515	1.6
91.05465	2.2
94.06580	2.4
95.04951	11.7
98.23411	1.4
105.03378	72.0
105.04520	3.9
105.07014	2.8
108.08116	3.7
110.86893	1.1
111.11724	3.2
115.03899	2.3
120.08121	1.5
127.03895	1.7
129.07008	2.8
129.12766	3.7
132.08061	1.6
138.09076	2.1
140.10715	1.5
141.06993	1.5
142.01852	1.4
144.08080	2.0
146.09645	1.6
148.07542	1.7
158.09644	1.8
160.07564	2.4
170.09625	2.1
178.07741	2.4
191.08618	2.4
203.08484	1.8
205.10095	1.4
207.08076	3.7
209.09674	1.5
221.09564	1.7
231.07930	2.5
233.09615	2.0
235.07489	2.3
248.10767	1.4
249.09229	1.5
263.10779	1.2
267.10165	1.3
277.08685	1.4
288.65268	1.2
324.15784	2.0
384.17923	1.3
412.17352	2.2
506.21616	1.8
510.24887	2.4
538.24390	2.9
570.26929	2.9
598.26263	3.8
630.28802	9.8
690.30951	100.0
690.47473	8.7
691.29889	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	690.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.6
56.05022	9.2
57.05811	1.1
57.46402	0.8
58.06584	1.0
65.05879	0.8
67.05498	1.3
67.43105	0.8
68.05014	0.9
69.03410	1.1
70.06585	3.8
72.08144	100.0
73.08485	0.8
74.06075	16.9
75.05613	1.0
78.71227	0.8
81.03410	0.9
81.07056	1.1
84.04497	9.7
84.08137	6.1
85.07652	3.8
86.06062	1.7
86.09709	2.8
91.05467	6.0
96.04483	1.6
98.06039	1.0
98.09681	5.4
98.23502	1.9
99.05571	1.0
100.03963	3.3
101.07104	4.7
102.05475	0.8
107.04939	14.6
107.08501	0.8
111.05480	1.0
111.09232	0.9
112.03987	1.4
113.07108	10.2
113.07790	1.2
113.10724	0.8
118.08638	10.0
119.04924	4.1
123.05604	1.4
126.12813	1.0
128.10713	1.4
129.06578	7.0
129.10217	36.7
130.04938	1.1
131.08165	2.1
136.07555	86.3
137.07925	1.0
138.09122	7.9
138.10199	1.4
141.05452	1.2
141.06558	18.0
141.07582	1.6
141.10181	1.7
143.11792	3.1
147.04404	2.5
147.07678	1.2
153.06541	1.0
155.08186	1.6
155.11775	10.9
157.09712	12.1
159.07658	6.6
160.07558	1.2
168.11319	1.8
169.06093	1.9
169.09752	2.8
169.57480	0.8
171.07793	1.0
171.11345	3.0
175.10750	9.5
175.14960	1.0
178.08601	46.7
183.07634	11.7
183.11208	7.5
183.14906	1.9
184.10641	1.1
185.09340	0.9
185.12843	3.3
186.08769	1.3
194.12909	2.5
196.10754	4.0
198.08710	1.0
200.14006	2.2
201.12328	2.4
202.08630	2.8
206.08098	13.9
210.12439	1.3
212.10297	5.3
212.13853	7.1
213.12285	4.3
214.11784	1.3
228.13409	9.6
228.78273	0.8
229.15379	1.2
230.08092	2.9
230.14932	3.5
240.09731	2.5
240.13390	16.1
246.14465	9.9
247.10719	2.0
256.12894	2.6
257.16150	2.2
258.14471	4.2
262.10031	0.9
263.10236	4.1
269.12479	1.2
269.16122	1.1
270.14395	1.1
274.13992	1.3
276.13327	1.1
283.17419	0.8
284.16214	0.9
285.15613	5.7
289.11761	27.5
289.14966	1.8
293.15918	0.8
297.15594	1.9
299.30020	0.8
300.19180	1.8
303.16544	6.8
307.12875	2.9
311.17093	4.7
311.20450	1.1
315.16675	1.1
318.14435	26.2
318.18158	1.8
320.12296	1.6
329.18164	3.4
340.19598	1.8
345.21109	1.9
346.13928	36.2
347.14325	1.3
356.22791	2.5
363.16400	1.1
364.15024	13.7
364.53510	0.9
368.19113	6.6
380.18390	0.8
383.23053	2.0
384.22354	3.3
386.20306	8.5
402.23386	9.1
417.21213	7.9
435.22363	3.3
439.26636	3.1
440.25043	3.0
445.20731	13.2
457.27609	10.2
463.15878	1.5
463.21890	19.7
467.26117	20.4
485.27118	60.8
486.27350	4.2
516.24573	7.0
534.25452	11.0
563.27930	1.1
573.26367	3.6
591.27655	8.0
672.33752	1.8
690.34174	3.5
691.24261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51125	1.1
53.03949	1.5
55.01863	1.7
55.05502	7.5
57.03426	14.6
57.07063	12.1
59.04996	6.6
61.02903	2.7
69.03421	59.0
69.07056	54.3
71.04993	6.6
71.08620	9.2
73.02905	2.2
73.06540	11.0
75.04455	1.8
81.03399	4.5
81.07030	1.9
83.08592	1.6
85.02892	50.5
85.10194	5.4
85.59849	1.1
87.04456	40.1
89.06020	36.5
89.31214	1.2
91.03973	1.7
93.07058	1.6
94.86339	1.2
95.04941	1.6
95.08563	1.3
97.02878	68.3
99.04433	3.9
103.03826	1.4
105.07048	1.2
106.24445	1.1
107.08540	1.6
109.02857	3.3
111.04422	1.9
111.11702	88.2
115.03916	75.8
116.04253	1.4
127.03883	8.8
129.12735	100.0
130.13071	1.8
133.04948	70.3
137.05910	2.4
137.09521	1.3
139.03850	1.7
145.04927	13.9
148.52777	1.4
161.04482	1.7
163.05981	4.0
169.04976	1.2
170.15535	1.5
175.06120	1.3
198.94199	1.2
199.15137	2.2
199.16904	24.1
217.17960	47.9
218.18324	1.9
223.05989	1.4
241.06960	3.6
258.26654	1.1
259.08142	9.6
277.09079	3.6
295.10162	10.6
325.11032	2.4
690.35583	4.8
691.38721	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	690.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.3
55.05503	0.6
65.03925	0.3
67.05497	2.0
68.99762	0.8
69.03419	0.3
69.07059	1.3
79.05471	0.9
79.92860	0.2
81.07049	3.3
83.01325	0.8
83.04953	0.4
83.08543	0.3
91.05444	1.0
93.07019	1.6
95.04932	0.8
95.08602	1.7
103.05450	0.9
105.07012	0.7
106.04147	0.5
107.08572	0.7
109.09415	0.4
109.10142	6.9
111.11717	0.3
117.06986	0.3
121.06483	4.6
121.10130	1.8
123.11695	2.5
131.04895	3.3
134.03609	1.1
135.11623	0.8
145.57117	0.3
147.04359	1.8
149.02280	0.6
149.05951	2.5
150.25583	0.3
159.04364	1.8
161.02237	0.3
161.05974	0.4
162.03085	8.2
163.03745	0.3
163.07535	0.6
176.04706	0.3
177.05424	2.6
189.05429	1.1
190.02577	18.6
191.03027	0.8
191.06950	0.5
192.04257	0.4
193.04915	0.9
199.03821	0.7
203.03343	0.3
205.04927	100.0
206.05301	3.1
207.06528	3.8
211.07658	0.3
213.05579	0.3
217.04916	0.8
219.06476	10.0
220.06915	0.6
227.07002	0.6
229.04822	0.3
231.06496	0.9
233.08052	4.0
235.59622	0.3
245.08054	0.9
246.07721	0.4
247.09627	6.4
257.08005	0.5
259.09601	2.1
261.11203	1.1
271.09607	4.2
273.11176	1.9
285.08252	0.3
285.10995	1.6
299.12796	1.1
311.12576	0.5
313.14194	0.9
325.14197	0.7
327.15857	19.8
328.16193	0.8
329.17416	10.7
330.17682	0.9
339.15927	0.4
341.17383	0.6
345.16931	0.6
353.17459	0.3
381.20605	0.4
395.22067	0.5
655.32349	0.5
700.97687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32111	1.4
55.05513	2.3
58.01425	1.4
67.05510	5.7
69.07104	3.3
69.21635	7.9
73.83432	1.2
79.05464	2.2
81.07056	7.4
83.05002	3.8
84.28164	1.3
91.05497	3.8
93.07054	3.3
95.08591	7.0
98.22683	2.8
103.05491	1.8
105.07018	3.2
106.29108	1.3
107.08592	3.6
109.10153	21.8
119.04985	1.4
121.06500	5.6
121.10152	3.0
123.11703	5.5
131.04965	3.1
134.03677	1.5
135.11777	2.9
147.04428	3.5
149.06038	3.0
162.03163	6.6
165.05441	2.4
171.04489	2.2
175.07556	2.1
177.05437	4.0
178.56744	1.5
179.07079	2.0
189.05499	3.9
190.02618	15.7
191.06998	4.8
192.04172	2.1
199.03941	4.8
201.05449	1.6
205.04947	100.0
206.05348	5.1
207.06511	12.1
217.04988	3.0
217.08476	1.7
219.06491	21.7
227.07050	1.7
229.05009	2.4
231.06525	5.6
233.08107	3.9
239.06915	1.9
243.06601	2.6
245.08188	3.7
247.09637	3.9
259.05936	4.4
259.09659	2.3
265.07874	1.7
271.09528	6.9
273.11047	1.9
285.11288	2.7
297.11206	2.3
299.12735	1.7
325.14322	4.8
327.12408	2.5
327.15848	15.1
329.17538	3.9
339.16000	2.4
365.10281	2.9
377.10199	1.5
411.10568	3.1
414.74710	1.8
451.13791	3.6
465.15475	3.7
505.21829	2.6
531.20154	10.3
533.21527	8.1
573.24786	2.8
587.26373	2.8
598.07758	1.6
599.26355	5.4
655.32581	10.1
699.36877	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59682	0.4
57.62311	0.3
71.52628	0.3
77.69959	0.3
95.01088	0.7
123.04404	0.4
137.06013	0.5
138.02901	0.8
141.05243	0.9
155.03149	0.9
159.04189	0.6
169.04729	5.2
172.04868	0.4
174.06526	0.7
177.05435	0.4
183.02693	1.4
218.05276	0.5
219.06239	1.8
228.68886	0.4
261.07315	0.7
299.07294	4.3
301.28265	0.3
333.09323	0.4
347.11087	0.7
361.09161	0.7
363.10559	1.2
379.09778	1.8
415.13635	0.6
449.14194	0.4
465.13846	1.1
479.11676	1.2
493.13254	1.3
494.13950	1.3
495.14548	0.6
507.14706	1.0
559.17853	1.7
643.19611	2.4
673.20685	1.6
691.21936	100.0
692.22394	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	691.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08009	0.4
74.75433	0.3
81.07072	0.6
93.01406	0.3
120.51352	0.4
130.53659	0.4
137.05959	3.6
151.03877	0.6
161.09712	0.5
177.09177	0.4
190.02654	0.8
205.04988	2.3
241.93510	0.4
271.05972	0.8
281.07913	0.7
282.08621	0.6
311.66592	0.4
329.08380	0.4
345.07651	0.5
351.15631	0.6
357.13254	2.2
363.13400	0.4
367.15112	7.8
385.16150	13.6
386.16562	0.8
395.69766	0.4
399.14822	0.4
425.21393	0.4
427.17300	0.9
457.18698	0.6
514.97876	0.4
529.20782	1.0
547.21399	5.3
589.22583	1.6
629.25568	12.2
630.26038	1.2
631.23364	5.0
632.23444	0.6
636.89264	0.4
648.47205	0.4
673.24835	0.5
691.25592	100.0
692.25885	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	691.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32812	0.4
63.49847	0.4
69.63770	0.4
69.67374	0.5
69.67733	1.5
79.91044	0.5
93.20217	0.4
114.36795	0.4
141.78014	0.4
144.80275	0.4
219.25679	0.4
275.33759	0.4
429.15527	0.7
439.17419	0.5
442.16653	1.0
444.17795	1.0
455.13351	0.7
456.13855	0.7
457.18808	3.6
458.19150	0.5
470.11584	1.2
483.12314	5.0
484.13629	10.5
485.13849	2.4
488.17166	0.8
496.17331	0.7
497.13968	5.1
498.15149	7.1
499.15497	2.5
500.16449	0.5
508.13785	1.1
510.19125	1.2
511.15991	3.0
512.16852	6.9
513.17615	27.8
514.18341	7.3
515.18866	0.7
523.15936	10.5
524.16571	1.5
525.17877	1.7
526.18408	2.4
527.19177	7.3
528.19366	1.3
531.18323	1.0
555.18561	3.8
556.19598	1.3
557.23816	1.1
568.19745	0.7
569.20728	0.8
571.22021	0.5
572.19012	0.9
573.20184	0.7
599.21075	1.5
600.22284	1.7
601.22424	2.1
614.23816	1.4
646.22839	0.7
659.23499	2.1
660.23969	3.5
661.24884	0.9
673.24951	2.4
691.25958	100.0
692.26221	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	691.329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27523	0.7
55.05494	1.3
56.71482	0.8
57.07051	1.1
61.02903	0.9
64.77501	0.7
65.16899	0.8
65.44341	0.8
67.05476	1.7
67.12452	0.7
68.74628	0.8
69.03406	1.2
69.07021	0.7
73.02878	0.7
81.07013	2.4
81.83367	0.9
83.08554	1.1
85.02866	1.7
86.40903	0.9
91.05480	1.1
93.06996	1.5
95.08575	1.1
96.90171	0.8
97.02831	1.2
98.23489	2.4
105.06997	1.4
108.42168	0.8
154.94788	0.7
165.56030	0.8
167.59468	0.7
258.20560	0.8
323.76672	0.9
335.35477	0.8
402.14850	1.0
416.16666	1.0
457.16702	1.2
485.16431	1.3
529.33020	2.0
559.28729	1.1
573.21277	2.7
604.22711	1.2
631.22119	1.2
632.22247	1.8
659.21747	1.9
691.32007	100.0
692.32666	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	691.3858
Annotation	11-Demethylconoduramine
Peak:m/z	Relative Intensity
65.48173	0.3
69.37936	2.1
81.07052	0.8
91.05397	0.6
106.23111	0.4
135.11610	0.4
150.35806	0.4
252.64755	0.4
259.07797	0.7
347.09644	0.9
503.15302	0.4
529.33368	26.8
530.33551	1.1
573.22614	0.5
594.87366	0.5
639.90668	0.4
691.37885	100.0
692.38110	8.2
707.39026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22658	0.2
51.88428	0.3
53.03947	0.5
54.94773	0.3
55.01866	0.4
55.05503	0.7
57.03423	1.8
61.02920	4.1
62.93513	0.3
67.05494	4.3
69.03416	2.5
69.07063	0.7
73.02894	3.1
79.05466	1.5
81.03416	1.2
81.07045	3.0
82.32928	0.2
83.04973	0.3
83.08611	0.3
85.02892	3.7
90.68443	0.3
91.03938	2.1
91.05482	1.1
93.07037	2.1
95.08593	2.0
97.02878	3.5
99.04476	0.5
101.02384	1.2
103.03945	0.4
105.07004	0.5
107.08602	1.0
109.02901	0.5
109.10142	3.6
114.47316	0.3
115.03929	0.4
115.19032	0.4
119.08550	0.5
121.10120	0.9
123.08067	0.3
127.03931	1.0
127.80616	0.3
131.08472	0.3
135.11661	0.6
137.09584	0.4
155.10695	0.3
157.87129	0.3
163.62061	0.4
173.11778	0.7
185.04187	0.4
195.09927	0.7
203.05356	0.3
228.81377	0.3
243.08366	0.7
335.26041	0.5
396.23715	0.4
413.17725	3.7
510.70868	0.3
519.29199	7.9
520.29517	0.5
611.34985	0.3
625.98077	0.3
691.40143	100.0
692.40399	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	691.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96520	0.4
53.03938	0.4
55.05501	1.4
57.03432	1.8
61.02917	4.7
64.66046	0.4
67.05492	7.9
69.03427	2.6
69.07057	0.6
69.85888	0.9
69.86216	0.7
71.04984	0.5
73.02907	3.6
79.05483	1.7
81.03407	1.7
81.07044	2.3
83.08634	0.5
85.02901	3.9
91.03935	2.3
91.05486	1.7
93.07015	1.8
95.08601	1.6
97.02895	3.6
98.22747	0.7
99.04464	0.6
101.02386	1.9
105.07020	0.8
107.08585	1.3
109.02867	0.5
109.10141	6.7
113.28453	0.4
119.08592	1.4
121.10152	0.6
127.03922	1.7
135.11700	0.5
140.15434	0.4
155.10719	0.6
173.11661	1.7
185.04185	0.6
195.09999	0.7
229.14441	0.9
243.08444	1.7
413.17789	10.1
519.29218	4.6
564.28503	0.4
665.58368	0.5
691.40155	100.0
692.40503	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	692.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76168	3.4
55.05502	26.5
57.03425	14.0
57.07065	7.9
61.02917	52.4
61.07327	3.1
67.05495	87.6
69.03409	10.5
69.07053	23.3
71.04994	6.5
73.02904	18.7
79.05479	66.5
81.07044	85.6
81.07497	6.0
83.04994	6.8
83.08610	10.8
85.02886	59.1
85.06543	8.7
91.03944	49.9
91.05464	84.0
93.07034	93.6
95.04962	9.8
95.08588	56.3
96.89408	4.0
97.02876	30.3
97.06501	8.4
97.10156	8.2
99.04444	5.7
99.08089	5.0
105.04522	3.8
105.07012	89.6
107.08582	50.9
109.10133	30.3
111.08072	5.5
115.05460	3.8
117.06997	32.5
119.08561	65.6
121.06443	5.0
121.10124	54.2
123.08042	6.4
123.11668	10.5
127.03901	16.8
127.94850	3.3
128.06149	4.2
129.06990	22.0
131.08551	41.2
133.10110	65.9
135.08011	4.2
135.11658	38.1
137.09547	4.3
143.08537	16.8
145.04947	26.7
145.10115	37.5
147.11665	42.8
149.09579	8.6
149.13234	27.8
151.11191	4.0
157.10094	17.6
159.11658	35.6
161.13225	69.4
161.40614	3.2
163.05995	36.0
163.11200	9.9
163.14775	22.0
171.11679	37.8
173.11929	5.7
173.13217	25.8
173.14520	4.4
175.11200	8.4
175.14809	50.6
177.12740	6.6
185.13199	26.0
189.12691	8.8
189.16391	4.7
195.13806	4.7
199.14787	12.9
203.14326	4.5
213.16287	6.7
217.19530	10.3
231.17473	6.7
231.21075	10.3
241.19452	78.0
259.17773	5.5
259.20535	100.0
260.20840	4.8
269.17426	6.1
277.21558	13.9
323.35229	4.1
333.24213	19.9
351.25192	60.9
423.27487	7.7
495.29370	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	692.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41301	2.2
55.05496	10.6
57.03427	6.5
61.02911	6.8
67.05494	53.3
68.91212	2.2
69.07050	9.8
71.04985	16.7
79.05479	24.9
79.84338	2.3
81.07043	78.0
83.04954	4.0
83.08604	12.2
85.02898	5.9
85.06513	5.5
86.62591	2.8
91.05468	21.2
93.07028	38.9
95.04960	4.1
95.08591	14.1
97.02879	3.6
97.06509	6.8
97.10132	3.4
103.51588	2.8
105.07006	11.4
107.08575	23.0
109.10146	9.5
111.08027	3.3
117.06969	6.0
119.08550	4.5
119.43896	2.3
121.09387	2.3
121.10099	14.7
123.11686	8.8
131.08560	5.4
133.10106	13.6
135.08000	3.0
135.11691	5.4
147.11673	4.4
149.13242	22.4
151.11143	8.4
159.11662	8.5
177.12770	4.7
187.13315	3.4
191.70703	2.3
195.13751	8.8
229.14417	7.9
267.16266	2.5
269.17444	18.7
287.47571	2.7
301.16571	3.7
301.20059	7.9
359.31824	2.7
423.27551	4.3
437.28857	39.7
438.29059	2.9
449.53000	3.0
451.30307	8.2
463.30484	100.0
464.30637	8.8
495.33386	29.5
607.34320	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	693.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04877	0.3
58.94513	0.3
67.05486	0.5
85.01429	0.4
95.08583	0.4
96.38959	0.4
98.23409	1.0
101.79060	0.4
109.10119	0.4
205.04881	1.0
206.05362	0.6
207.05498	0.4
239.40050	0.4
267.06250	0.7
351.15756	1.3
365.13571	100.0
366.13895	4.6
376.44897	0.4
457.74115	0.4
693.30273	61.5
694.30688	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	693.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91178	0.5
61.43641	0.5
66.65075	0.5
67.60247	0.5
72.02916	0.6
96.01884	1.4
113.98504	0.5
141.75851	0.6
159.62416	0.6
165.08920	2.2
166.09608	0.9
180.11124	0.6
209.11482	4.5
214.65129	0.6
238.11725	1.4
245.11496	1.5
265.14041	5.3
279.15689	3.1
288.17078	0.7
345.20358	0.6
349.23618	3.4
351.21393	7.7
352.22055	0.7
359.97629	0.6
365.23071	2.5
387.21390	2.9
512.31366	0.9
513.31647	2.1
515.29773	1.3
530.32037	21.4
531.32678	6.1
542.98120	0.5
576.15540	0.7
693.38055	100.0
694.38153	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	694.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47425	0.4
53.03936	1.0
55.01857	0.6
55.05509	0.5
57.03424	0.9
61.02900	0.4
63.02367	0.5
67.05496	1.1
69.03433	3.0
69.03745	0.5
70.06573	1.2
71.04984	26.7
76.49920	0.4
79.05464	0.8
81.03416	3.7
83.08630	0.7
84.04491	0.7
85.02904	2.6
85.06530	5.2
89.03899	4.8
95.04961	2.1
95.08570	0.5
96.08121	1.7
97.02888	4.1
97.06534	0.8
99.04441	1.4
100.07676	0.5
100.11234	1.8
103.05447	1.4
107.04945	1.6
109.02872	3.8
111.04420	0.6
113.05985	5.0
117.03368	6.0
127.03901	4.0
127.07544	14.6
128.07826	0.6
131.04936	3.7
131.07021	7.9
132.05258	0.5
133.02827	0.6
133.10088	0.6
135.04410	13.8
137.06042	0.6
137.09592	0.6
141.05418	0.7
143.17612	0.4
145.02838	11.0
145.04924	1.3
145.08582	91.4
146.08963	1.0
152.07083	0.5
155.06963	1.3
163.03885	100.0
164.04224	2.4
165.09120	0.9
173.08058	2.4
177.05408	0.6
181.05002	2.3
182.15411	1.1
191.09113	12.5
192.67566	0.6
206.04439	1.5
209.16617	0.8
210.14838	2.3
247.05975	0.7
257.10077	1.9
271.05945	0.7
275.11340	0.8
289.07123	0.7
299.11169	1.8
307.08112	2.2
317.12326	2.2
325.09137	6.5
335.13373	4.7
497.16110	2.2
580.40198	1.4
581.40808	0.6
659.21362	1.5
675.47357	1.1
676.48163	0.8
693.48315	1.1
694.48328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47425	0.4
53.03936	1.0
55.01857	0.6
55.05509	0.5
57.03424	0.9
61.02900	0.4
63.02367	0.5
67.05496	1.1
69.03433	3.0
69.03745	0.5
70.06573	1.2
71.04984	26.7
76.49920	0.4
79.05464	0.8
81.03416	3.7
83.08630	0.7
84.04491	0.7
85.02904	2.6
85.06530	5.2
89.03899	4.8
95.04961	2.1
95.08570	0.5
96.08121	1.7
97.02888	4.1
97.06534	0.8
99.04441	1.4
100.07676	0.5
100.11234	1.8
103.05447	1.4
107.04945	1.6
109.02872	3.8
111.04420	0.6
113.05985	5.0
117.03368	6.0
127.03901	4.0
127.07544	14.6
128.07826	0.6
131.04936	3.7
131.07021	7.9
132.05258	0.5
133.02827	0.6
133.10088	0.6
135.04410	13.8
137.06042	0.6
137.09592	0.6
141.05418	0.7
143.17612	0.4
145.02838	11.0
145.04924	1.3
145.08582	91.4
146.08963	1.0
152.07083	0.5
155.06963	1.3
163.03885	100.0
164.04224	2.4
165.09120	0.9
173.08058	2.4
177.05408	0.6
181.05002	2.3
182.15411	1.1
191.09113	12.5
192.67566	0.6
206.04439	1.5
209.16617	0.8
210.14838	2.3
247.05975	0.7
257.10077	1.9
271.05945	0.7
275.11340	0.8
289.07123	0.7
299.11169	1.8
307.08112	2.2
317.12326	2.2
325.09137	6.5
335.13373	4.7
497.16110	2.2
580.40198	1.4
581.40808	0.6
659.21362	1.5
675.47357	1.1
676.48163	0.8
693.48315	1.1
694.48328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01861	0.3
55.05511	0.4
57.03431	0.5
61.02886	0.4
66.86760	0.2
67.05500	1.6
69.03429	2.6
70.06549	0.3
71.04980	31.2
72.05296	0.4
73.02911	0.4
76.88888	0.3
81.03406	2.8
81.07020	0.8
85.02890	4.2
85.06039	0.4
85.06526	5.5
86.09689	0.7
87.03944	0.3
89.03909	0.8
91.75668	0.3
93.07047	0.6
95.04942	1.5
95.08575	0.4
97.02879	4.3
99.04422	0.8
103.05450	1.1
105.07014	0.4
107.04922	0.3
109.02864	3.6
109.10123	1.6
111.04399	0.4
113.05990	5.5
115.03826	0.4
117.03349	0.7
119.13764	0.3
120.08083	0.7
127.03895	4.0
127.07537	16.8
128.07878	0.4
131.04921	3.6
131.06041	0.6
131.07010	8.3
133.10115	0.4
135.04390	1.3
136.07584	0.3
137.05956	0.9
137.09564	2.7
141.05444	0.4
145.02858	1.5
145.04915	1.9
145.08572	100.0
146.08925	1.2
147.08115	0.4
155.07036	2.3
160.15944	0.3
161.05922	0.4
162.07562	0.5
163.03880	12.9
163.07492	1.7
165.09081	2.5
173.08067	3.2
177.05450	2.0
180.08653	1.6
181.04974	0.4
183.10158	0.4
185.08101	0.7
187.05829	0.4
191.09113	18.2
207.11700	0.3
238.59343	0.3
239.09064	0.4
245.10135	0.4
257.10172	1.4
272.48541	0.3
275.11124	0.8
289.07114	0.5
299.11279	1.7
309.13318	0.7
317.12238	4.0
325.09244	0.7
327.14279	0.7
335.13290	9.8
497.16455	2.3
527.62695	0.4
649.41907	0.3
694.29993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.05494	11.3
57.03423	5.2
57.07060	4.1
61.02914	27.7
65.03934	2.6
67.05493	58.1
69.03438	2.3
69.07045	10.1
70.99720	1.8
73.02911	8.9
79.05482	39.4
81.07047	62.5
83.08616	5.8
85.02889	36.2
85.06518	3.2
91.03941	29.6
91.05461	22.9
93.07030	51.7
93.07598	3.4
95.04945	3.6
95.08593	56.4
97.02882	16.5
97.06472	2.1
97.10147	3.9
99.04455	1.9
99.08096	1.9
105.07000	13.1
107.08574	31.3
109.10133	26.1
113.09744	1.6
115.03936	2.2
117.07018	6.8
119.08540	14.0
121.10114	29.4
123.08079	2.2
123.11691	16.5
123.80299	1.6
127.03884	9.8
131.08533	18.9
133.10085	10.2
135.11659	23.0
135.12503	2.3
137.09587	2.0
137.13240	6.3
139.11192	2.4
140.62918	1.6
145.04944	13.4
145.10118	15.3
147.11684	12.4
149.13237	21.9
159.11653	11.3
161.13182	8.8
163.05994	22.9
163.14809	14.3
165.12772	2.3
167.78838	1.6
173.13225	17.9
175.14774	4.8
177.12750	1.7
177.16374	5.5
179.14313	3.7
187.14761	8.6
201.16296	3.1
233.22697	2.1
243.21034	36.0
261.22101	100.0
262.22504	3.1
279.23080	3.3
335.25751	17.8
353.26807	49.5
354.27075	2.4
498.02850	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68878	0.8
53.03931	1.6
55.01864	1.4
55.05505	14.2
57.03432	7.6
57.07066	3.7
61.02922	30.3
65.03945	1.2
67.05499	72.9
69.03435	4.1
69.07063	15.4
71.04993	2.1
73.02913	11.8
75.04461	1.8
77.03946	1.1
79.05486	41.9
81.03407	2.6
81.07049	90.9
82.07363	1.1
83.04977	2.7
83.08615	7.5
85.02898	34.5
85.06540	3.0
91.03948	25.7
91.05473	22.8
93.07037	56.7
94.07372	1.4
95.04950	5.4
95.08598	65.4
96.04486	1.0
96.08916	1.8
97.02884	17.6
97.06543	3.4
97.10181	4.3
98.22639	2.5
99.04471	2.0
99.08089	3.1
101.35921	0.9
105.04524	1.7
105.07022	19.3
107.08581	35.4
109.02870	1.6
109.06467	1.2
109.10146	40.2
111.08078	2.3
113.09615	1.2
115.03896	1.4
117.06996	9.5
119.08575	17.1
121.10134	35.9
121.10974	2.0
123.11689	17.9
125.09618	1.7
127.03902	8.5
129.07057	1.4
131.08559	21.3
133.10114	12.3
135.11673	29.4
137.09566	1.1
137.13246	7.6
139.11188	2.9
145.04941	12.6
145.10107	15.3
147.11668	12.3
149.13249	21.8
151.11172	2.3
151.14827	2.1
152.21854	1.0
153.12741	1.3
159.11681	17.1
159.12926	1.4
161.13242	11.9
163.06017	19.9
163.07298	1.6
163.14799	16.7
165.12720	3.2
165.30603	1.0
167.51436	1.0
173.13232	17.1
174.13734	0.9
175.14830	4.2
177.12668	1.4
177.16400	7.8
179.14299	2.8
187.14783	9.2
201.16359	2.3
203.17873	1.0
205.15848	3.3
210.45825	0.9
219.17473	1.4
233.22639	4.4
243.21063	35.5
244.21385	1.2
261.22110	100.0
262.22482	5.5
263.23700	1.3
279.23178	5.2
317.24701	2.3
335.25766	32.9
336.25952	1.6
353.26825	43.5
354.27069	3.5
497.30927	4.1
566.06561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56467	0.4
54.17993	0.4
69.85616	1.9
73.08680	0.6
102.09790	0.4
135.03299	0.4
141.95067	0.4
176.30156	0.5
180.48083	0.5
194.13158	0.5
340.99799	0.5
382.95749	0.6
449.92175	0.5
545.14319	1.3
546.15540	0.8
563.15369	6.3
564.15698	1.1
577.16949	1.2
578.17682	1.6
621.19800	1.1
663.20569	1.8
664.21393	5.9
665.21857	1.3
695.23120	100.0
696.23309	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	695.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94543	0.4
69.47352	1.5
72.73543	0.4
88.95480	0.4
91.05460	0.8
93.07052	0.5
94.79036	0.4
95.08628	0.6
98.22717	0.8
108.08965	0.4
134.03720	0.5
143.69052	0.4
144.21477	0.4
151.06328	1.0
151.46660	0.4
233.19118	0.4
263.91772	0.4
338.29883	0.4
545.14142	0.8
563.15405	4.7
564.15594	0.5
577.16974	1.2
578.17426	0.8
617.16571	1.5
621.19446	1.3
664.21301	8.1
665.21844	4.4
695.23114	100.0
696.23358	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	695.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05502	0.6
57.03436	2.2
66.54629	0.4
67.05497	1.4
69.03412	2.5
69.07053	0.7
69.30332	2.0
71.04984	38.0
72.05321	0.5
74.03816	0.4
81.03408	2.5
81.07034	2.1
85.02885	4.0
85.06530	7.5
91.05424	1.0
93.07013	1.1
95.04951	2.0
95.08609	1.2
97.02869	2.4
98.23443	1.0
99.91607	0.5
103.05440	0.6
105.07007	0.8
107.08562	0.8
109.02870	2.8
109.10133	1.5
113.05998	6.2
115.05440	1.1
119.08553	0.5
121.10131	0.5
127.03902	3.8
127.07545	19.3
128.06198	0.9
129.07005	2.9
131.04909	1.3
131.07025	18.2
131.08505	3.4
133.10126	0.6
137.05962	5.4
141.05544	0.5
141.06960	2.1
143.08557	0.8
145.08577	100.0
146.08937	1.6
151.07489	1.5
155.07043	1.6
157.06462	2.1
158.07254	1.1
159.08003	3.6
160.05215	0.6
160.08508	0.5
161.09557	0.6
162.06802	0.5
163.03963	1.0
163.07478	0.6
169.06462	0.8
170.07242	0.8
171.08078	0.9
173.06036	0.6
173.08060	1.3
174.06729	6.8
175.07510	2.7
186.06737	1.3
187.05992	0.9
187.07533	2.2
188.08269	0.7
189.09081	11.4
191.09119	6.4
191.10641	0.9
201.09045	3.6
203.10612	5.0
219.10132	48.0
220.10455	1.3
247.07607	0.5
257.10190	0.9
275.11270	0.8
291.10474	1.1
299.11218	1.7
317.12317	2.5
325.14334	1.0
328.92981	0.6
334.11716	0.5
335.13446	2.4
336.68652	0.5
341.13715	0.7
344.05682	0.5
349.14026	0.5
462.29163	0.6
471.75153	0.6
479.31763	0.6
480.30807	0.5
508.21338	0.5
695.29004	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91013	7.1
70.51525	13.7
80.46377	6.1
99.28491	6.0
107.05686	5.3
120.78529	7.1
138.54272	5.8
182.88509	6.6
184.07265	8.0
367.13013	14.9
484.84772	7.0
695.29816	100.0
696.29529	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	695.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99878	0.4
62.75527	0.5
67.05482	0.9
69.03434	1.2
69.07056	1.1
69.93771	1.1
70.27860	0.5
71.04980	0.7
71.76257	0.5
77.45282	0.5
79.05496	1.0
81.03391	0.7
81.07059	1.4
85.02901	1.1
85.06519	0.6
90.70523	0.6
93.07051	0.7
95.05000	0.8
95.08590	1.0
96.08506	0.5
99.33005	0.4
100.07461	0.5
105.03371	0.5
105.07013	0.9
107.08583	1.0
109.10126	0.9
110.52653	0.5
119.08596	0.7
121.10152	0.9
123.11624	0.5
133.10091	0.8
137.05939	0.7
154.07077	0.5
163.03961	0.5
171.13828	0.7
243.65685	0.6
275.07358	4.0
289.09705	0.6
317.08487	0.8
332.74887	0.5
333.54092	0.5
335.09332	1.2
391.11871	0.7
437.12839	1.1
445.20419	2.7
461.30463	0.8
479.13751	2.9
495.12805	1.3
497.14584	4.0
607.25702	28.0
608.25879	2.2
635.61743	0.6
694.40283	1.9
695.30750	100.0
696.31281	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	695.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	0.7
56.96559	11.5
57.66849	0.4
70.15462	0.9
71.95257	0.6
79.05477	0.7
81.07052	3.1
86.03114	0.4
97.96799	0.8
98.97591	0.7
110.97558	1.3
128.98592	1.4
129.99341	0.5
133.01672	0.4
137.05931	0.4
141.02165	0.5
146.60046	0.4
146.99609	1.6
148.81702	0.4
155.03723	0.6
157.01836	0.5
159.03357	0.7
161.01157	0.4
169.05389	0.5
171.03293	1.1
173.04790	0.8
185.04814	1.2
187.02791	0.5
189.04294	0.9
193.05318	0.5
195.07016	0.5
197.04823	0.6
199.02632	0.4
199.06396	2.9
203.05888	1.4
205.07451	1.2
207.06915	0.5
211.06421	1.0
213.07964	7.0
217.07449	3.0
221.08571	0.9
223.02728	0.5
223.08472	1.2
223.10307	0.5
225.07993	3.1
227.05780	0.5
227.09457	0.5
229.07410	2.7
231.06825	0.7
231.09004	8.7
233.08604	0.4
237.04245	0.6
237.07980	1.5
239.09523	2.5
241.07483	0.6
241.11118	4.5
242.08228	0.8
243.09055	2.9
247.08521	1.7
251.09474	4.7
253.11134	1.0
255.09006	7.7
257.10663	2.8
259.12167	4.4
261.10178	1.0
267.09006	1.2
269.10565	28.1
270.10980	0.8
271.12140	0.6
273.10037	4.4
279.08936	2.3
280.09738	1.7
281.10748	0.4
287.11612	13.4
292.12213	1.5
293.14145	0.5
297.10046	3.3
298.10822	1.8
307.15811	0.5
315.11188	1.3
316.11905	0.6
329.19418	0.5
331.15759	9.3
349.16821	15.1
350.17004	0.5
367.17871	100.0
368.18326	3.8
385.18918	17.1
386.19431	0.7
408.20468	4.4
409.20972	0.4
543.43683	0.4
677.39758	0.4
695.27838	1.0
695.40216	11.2
696.40137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95635	0.6
52.72885	0.6
56.48884	0.7
57.03439	1.0
67.05505	0.8
69.03406	1.1
70.36335	1.1
70.36666	0.9
71.04977	1.0
78.50906	0.7
79.05483	1.2
81.03424	1.0
81.07054	1.3
85.02879	1.2
91.05478	1.4
93.05773	0.9
93.07039	1.3
94.06544	2.6
95.07315	0.7
96.08134	1.5
97.02921	0.8
99.04461	1.4
103.05405	0.8
105.07066	0.9
106.06522	1.0
107.07310	1.0
108.08121	5.8
109.02924	0.7
110.09654	2.0
117.05553	1.1
117.07105	0.7
120.04456	1.8
120.08094	4.3
122.06016	3.6
122.09720	3.2
131.07022	4.8
135.04428	0.8
136.07581	7.2
136.11195	0.8
137.05986	3.7
138.09129	3.7
143.27039	0.7
145.08592	2.2
146.06049	0.8
148.07573	2.5
150.09119	2.7
158.06168	0.6
164.07054	1.4
166.08553	4.7
175.07536	1.2
194.08250	0.8
196.09879	0.7
209.10796	0.9
211.08647	0.9
211.12195	0.9
212.09366	1.4
218.74934	0.8
219.10138	1.0
223.08670	1.1
224.09511	1.1
225.10178	4.2
226.10938	1.8
227.11581	1.0
235.08618	0.9
236.09392	0.6
237.10219	6.8
238.10884	1.3
239.08157	0.9
239.11777	5.9
240.12476	1.1
241.09682	1.1
247.08644	1.0
249.10120	4.2
250.10899	2.5
251.07990	2.2
251.11763	5.7
253.09775	4.9
253.13293	2.4
255.11201	1.5
261.10263	1.9
262.10892	1.7
263.11795	4.1
264.08850	1.3
265.09714	6.6
265.13174	1.2
266.10284	1.8
267.11246	9.5
268.11981	1.1
269.12778	1.6
271.10684	1.0
277.09665	3.1
278.10468	3.1
279.11203	7.2
280.12009	3.1
281.09253	2.1
281.12833	6.0
283.10730	1.8
285.12369	1.4
289.09674	1.6
291.11227	2.4
293.09055	1.9
293.12778	6.2
294.09882	2.0
295.10663	2.8
295.14075	1.4
296.11505	1.7
297.12225	3.2
307.10913	3.1
308.11508	1.3
309.12180	4.5
311.10278	1.6
311.13782	2.1
313.11874	1.5
315.13400	0.9
319.10635	0.9
321.12173	2.4
323.10226	1.0
323.13882	1.6
325.11789	2.2
326.12589	1.7
327.13391	3.1
328.14349	1.5
329.14816	0.7
330.15781	0.8
337.11768	1.0
339.13284	6.9
340.14246	1.0
341.14914	8.0
342.15768	1.3
344.17740	1.0
353.11160	1.5
353.15070	1.2
355.12698	1.4
356.13586	0.9
358.15326	1.3
367.13010	1.9
368.13770	1.1
370.15549	0.7
371.15829	0.8
381.14371	3.2
383.16464	1.0
384.17215	0.8
387.15100	0.8
393.14282	0.9
393.71222	0.7
395.16095	0.7
397.13632	1.0
400.16507	1.1
408.89655	0.6
409.13699	1.7
411.15332	2.0
413.17361	1.1
420.18893	0.9
423.15549	1.2
430.17404	1.0
432.18973	1.0
441.16525	4.6
442.17053	1.0
448.22443	1.6
457.15958	1.0
458.16748	0.9
460.18680	1.4
465.16403	1.3
469.16092	2.5
474.19751	0.9
476.21973	1.3
479.14346	2.6
481.15836	0.9
483.17267	1.9
499.16849	1.3
501.18903	4.9
502.19064	1.0
511.16919	2.1
529.18085	0.9
576.23651	1.3
604.22729	2.1
621.22748	1.9
623.24261	1.6
632.22009	3.8
636.25525	14.4
637.25854	1.4
646.24097	0.8
664.24915	100.0
665.25201	9.6
682.26703	1.7
695.39893	1.7
696.27661	53.3
696.39655	5.8
697.27948	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	696.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00429	0.6
67.05452	1.4
69.13082	2.8
69.13495	1.6
81.07054	1.5
81.18182	0.6
87.02191	0.6
91.05483	1.3
93.07020	0.8
104.55679	0.7
105.06982	0.8
135.11620	0.7
231.49796	0.7
242.10664	0.6
389.18073	1.2
392.48605	0.7
399.16531	0.9
400.16983	2.0
401.17743	2.2
402.19214	0.8
403.19998	0.7
412.17249	0.9
413.17725	2.9
414.18497	3.2
415.19226	7.3
416.20294	1.5
427.19156	5.3
428.20032	2.5
429.20847	13.9
430.21970	5.5
441.20840	2.4
442.21716	3.2
443.22891	4.4
444.23578	5.4
446.20282	1.2
455.18756	1.3
456.19666	1.1
457.24512	8.6
458.24670	2.3
459.21228	6.5
460.21808	2.4
461.23151	1.4
469.23758	0.8
470.20969	1.0
471.17905	1.9
471.22665	1.0
472.22455	2.7
474.22937	1.1
475.24469	2.6
484.18961	0.9
485.23459	23.5
486.19791	4.7
487.24210	2.5
489.22952	2.8
497.23340	2.5
499.21237	1.8
500.21930	3.3
503.24319	4.9
513.22852	2.6
515.24329	19.8
516.24408	1.4
531.23828	38.7
532.24194	2.5
541.22430	0.8
559.23383	15.8
560.24182	0.8
591.25934	100.0
592.26373	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	696.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04822	0.8
56.05030	10.7
58.06568	0.9
67.05486	1.6
68.91270	0.8
71.04977	2.3
79.05495	1.5
81.07017	1.2
84.04490	26.7
98.23516	2.0
112.39221	0.8
116.07076	5.1
150.18167	0.9
163.30470	0.9
308.22620	1.0
338.26797	0.9
391.18936	1.2
392.19974	1.1
393.20737	1.6
403.19266	1.6
405.16650	4.1
407.22443	6.1
415.19263	1.0
417.20828	2.1
417.96613	0.9
419.18234	4.7
420.18903	2.0
421.20157	2.1
429.16846	1.8
430.17560	1.9
431.22287	1.7
432.23233	1.8
433.20178	3.4
434.20804	8.1
435.21744	9.6
436.22504	1.1
443.18634	3.0
444.19376	2.9
445.19516	4.1
447.21716	2.9
457.19885	2.7
458.20441	2.4
459.21625	6.1
460.22281	2.8
461.23770	1.2
473.23242	1.9
477.22275	1.1
488.20996	1.6
489.22247	1.3
502.22308	1.7
503.21637	1.1
504.23541	2.0
516.24390	1.7
517.24579	5.1
518.25482	6.3
521.25391	31.1
522.25513	2.1
530.24658	1.6
531.24005	1.4
544.26788	0.9
545.25537	1.8
546.26312	1.1
547.27045	1.6
549.24695	4.5
559.26874	1.9
562.25031	2.5
564.15607	2.6
576.26746	1.3
581.27490	41.0
582.27472	3.7
604.29065	27.3
605.28857	3.3
619.28668	1.3
632.28186	0.9
636.31824	2.0
664.31146	77.5
665.21808	1.6
665.31335	8.5
666.21985	2.0
696.22876	64.1
696.33539	100.0
697.22772	13.2
697.33881	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	696.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01849	1.1
55.05504	17.1
57.03426	7.0
57.07062	10.6
60.72352	0.9
61.02916	26.3
65.03916	2.4
67.05493	69.6
69.03412	4.9
69.07058	24.8
71.04980	1.9
71.08613	5.6
73.02906	10.7
79.05477	20.5
79.55280	1.0
81.03400	1.9
81.07043	85.0
82.07368	1.3
82.55202	0.8
83.04984	1.9
83.08606	20.8
83.09090	1.3
85.02892	36.0
85.06527	2.8
85.10174	2.9
86.03259	0.9
87.04462	1.0
91.03945	30.6
91.05464	17.0
93.07034	23.0
95.04955	2.8
95.08591	66.5
96.08946	1.5
97.02870	16.2
97.06518	7.9
97.10154	12.2
98.23508	1.9
99.04446	1.8
99.08081	3.3
103.03913	1.2
105.04512	1.3
105.07011	10.6
107.08571	18.1
109.10140	39.6
111.08087	3.8
111.11713	2.6
113.09628	3.0
115.03915	1.7
119.08559	13.0
121.10126	19.6
121.10966	1.3
123.08060	1.6
123.11692	18.2
125.09643	2.6
125.13242	1.7
127.03896	10.2
127.11249	1.1
131.08559	1.0
133.10101	16.1
135.11671	13.7
137.09601	1.6
137.13225	8.7
139.11154	1.1
141.12732	3.0
145.04915	14.2
147.11653	11.2
147.62434	0.8
149.13237	10.7
151.11115	1.6
151.14772	7.0
155.14264	2.8
161.13226	16.4
161.14507	1.3
162.33719	0.9
163.05995	24.3
163.07294	1.8
163.14803	11.8
165.12781	1.0
165.16356	8.1
167.14337	1.3
175.14792	10.2
177.16412	2.1
179.14333	1.1
179.17912	7.4
189.16335	4.2
203.17932	2.9
207.17459	1.3
217.19576	2.1
245.22606	69.0
246.22990	3.3
263.23657	100.0
264.24042	2.4
265.25317	2.0
281.24832	2.9
300.15363	1.0
301.21625	0.9
337.27307	46.2
338.27600	2.4
355.28333	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	696.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27168	2.0
55.05513	19.2
57.03434	6.4
57.07069	7.6
61.02926	30.2
67.05499	66.2
69.03420	4.7
69.07064	23.5
69.15067	9.9
71.05000	2.6
71.08625	5.5
73.02921	11.9
79.05490	20.5
81.07049	83.0
82.22530	2.1
83.04971	4.1
83.08621	23.4
85.02894	27.6
85.10149	2.8
91.03945	22.2
91.05456	12.1
93.07024	21.2
95.08597	80.0
95.09212	4.0
97.02888	11.8
97.06531	6.4
97.10165	9.7
99.08109	5.5
105.07020	9.7
107.08587	12.8
108.18972	1.9
109.10143	37.3
111.08102	4.6
111.11726	3.0
117.81196	1.9
119.08573	7.6
121.10128	20.0
123.11689	19.7
125.09619	3.3
126.15746	2.4
127.03911	10.9
127.11195	3.1
127.35959	2.5
128.03137	2.5
133.10135	13.6
135.11633	13.9
137.13246	9.1
141.12761	4.1
145.04970	11.1
147.11702	10.4
149.13258	12.5
151.14813	4.8
151.27663	2.3
155.14310	4.0
161.13263	9.4
163.06006	19.7
163.14807	9.6
165.16403	11.5
175.14827	10.3
177.16412	2.7
178.81964	2.1
179.17950	7.5
185.28624	2.1
185.46780	2.6
189.16420	3.8
203.18004	2.7
205.04924	3.7
245.22639	63.7
245.25082	4.1
263.23669	100.0
264.24002	4.2
277.52081	2.6
284.02518	2.3
337.27332	65.2
338.27475	2.9
355.28452	18.2
499.32526	4.3
692.12500	2.7
696.27344	5.3
697.28577	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	697.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
67.05486	1.0
69.03438	2.5
71.04984	39.7
72.05318	0.4
78.52017	0.3
79.05473	0.8
81.03405	2.5
85.02895	3.5
85.06539	6.1
91.05449	0.6
92.58670	0.3
93.06989	0.4
93.67095	0.3
94.04177	1.0
95.04957	2.9
97.02872	2.1
99.04444	0.6
103.05449	1.5
103.07547	0.6
104.79355	0.4
105.07019	1.1
105.80135	0.3
107.04936	0.6
109.02878	2.3
109.06497	0.7
111.04437	1.0
113.05998	6.0
115.05422	0.7
117.07036	0.5
119.04914	0.4
121.06473	1.6
122.03632	2.7
123.04391	0.4
127.03911	2.9
127.07537	17.0
128.06229	0.4
129.06992	0.5
131.04929	3.0
131.07022	12.1
133.06485	5.2
133.68318	0.3
135.08037	1.6
137.05962	40.2
141.07001	0.6
143.08571	1.0
145.08578	100.0
146.08905	1.4
147.04343	0.5
147.08041	0.7
149.05931	0.8
151.07521	3.8
153.14082	0.4
155.07008	1.2
157.06497	1.0
160.05173	0.5
161.06018	1.6
163.07529	8.8
165.05431	0.4
171.08037	0.7
173.08086	2.4
174.06772	0.4
175.07506	2.8
177.05458	0.7
177.09053	0.7
179.06982	0.5
181.08592	1.1
187.06015	0.8
187.07590	1.4
189.09117	2.3
191.07326	0.5
191.09125	7.6
201.09125	0.4
203.06949	0.5
203.10654	1.8
218.26833	0.3
219.10219	1.1
221.11830	0.4
229.08606	1.1
245.88264	0.4
246.91016	0.4
247.09612	0.5
257.10245	0.9
263.10788	0.7
275.11267	0.6
291.10196	0.5
295.13266	3.7
299.11301	1.3
317.12274	2.2
323.12906	0.6
325.14163	0.7
327.15836	6.0
335.13345	2.9
351.15875	2.1
369.16956	0.6
393.17184	0.7
411.18079	0.9
413.56161	0.4
435.17889	1.0
453.18701	0.5
554.57373	0.3
559.03009	0.4
587.95801	0.4
591.30261	0.4
591.76355	0.5
697.23346	0.5
697.40619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01871	0.5
55.05484	1.0
57.03421	1.9
58.06588	0.7
60.97602	0.4
61.02911	3.8
66.28928	0.4
67.05497	1.8
69.03101	0.4
69.03415	2.4
69.97237	0.4
69.97592	1.2
71.04973	0.7
73.02901	2.8
78.62098	0.4
79.05486	2.4
81.03409	5.5
81.07041	2.8
83.04958	0.7
83.08607	1.6
85.02891	6.6
87.04474	0.5
87.69764	0.4
91.03939	2.4
91.05456	3.0
93.07036	1.7
95.04967	2.0
95.08577	0.9
97.02867	4.1
97.06507	0.9
99.04469	0.6
101.02371	1.3
105.07000	2.4
107.04982	0.4
109.02866	0.6
109.06467	0.4
111.04449	0.8
111.08109	0.5
119.08593	1.4
121.10125	0.7
127.03859	1.1
129.06979	0.7
131.08565	1.1
133.10115	1.2
137.59361	0.4
147.08084	0.6
147.11700	1.7
149.09622	0.5
157.10162	1.2
175.11156	0.9
185.04227	0.5
193.12254	1.8
199.81216	0.5
204.26462	0.5
211.13370	0.6
221.11513	0.4
230.23952	0.5
243.08368	2.1
251.12503	1.5
285.17004	0.8
307.15176	0.7
469.20361	13.2
697.33759	100.0
698.34137	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	697.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34919	0.4
69.43402	1.8
81.07045	0.6
98.22750	0.9
185.04265	0.8
193.01028	0.5
203.05269	1.5
219.70039	0.5
259.08026	1.4
305.08377	0.8
347.09573	1.8
365.10666	3.5
421.13123	1.1
535.28619	14.5
536.29169	0.8
697.33929	100.0
698.34320	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	697.3751
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
55.05500	0.9
57.03422	1.5
61.02926	4.4
62.14334	0.6
67.05494	5.0
69.03423	2.5
69.07054	1.1
69.64655	2.0
71.01350	0.8
71.04980	3.6
73.02923	2.7
79.05493	2.3
81.03425	1.1
81.07049	6.8
83.08630	0.8
85.02893	4.6
91.03954	2.3
91.05486	2.6
93.07015	5.1
95.08619	1.2
97.02903	3.6
97.06554	0.9
98.23425	0.6
99.04481	0.8
101.02387	1.5
105.06989	0.9
107.08563	2.8
109.02874	0.8
109.10159	0.9
117.07037	0.6
119.22987	0.6
121.10181	1.3
123.11710	1.2
127.03876	1.2
129.05499	0.6
131.08492	0.7
133.10158	1.4
135.11729	1.1
149.13268	1.9
151.11182	1.0
159.11714	1.1
193.91064	0.6
235.13069	1.1
243.08463	2.5
257.17545	0.8
267.15829	0.8
291.15955	0.8
413.18155	0.8
453.20795	8.1
485.23651	6.6
567.31238	1.0
625.31464	4.2
697.37537	100.0
698.37823	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	698.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64392	0.5
53.03936	0.7
54.30525	0.5
55.01852	0.9
57.03429	53.3
62.54019	0.5
67.05491	1.1
69.03432	3.0
69.87246	1.6
71.04974	0.8
79.05468	1.6
81.03413	4.2
81.07038	0.8
85.02896	4.1
89.06035	2.6
91.05464	7.5
93.07029	1.0
94.04193	1.0
95.04938	2.4
97.02887	4.6
99.04443	11.3
103.05464	0.9
105.03378	2.3
105.07016	1.4
107.04939	1.8
107.08569	0.7
108.04466	1.8
109.02876	3.1
109.06519	1.3
109.10147	0.6
109.17387	0.5
111.04393	0.6
111.15427	0.5
113.05952	1.2
115.03914	0.9
117.05485	14.3
117.06918	0.7
119.04922	4.5
121.06499	3.3
121.10177	0.7
122.03639	1.7
127.03903	4.4
129.06981	3.1
131.05022	3.0
131.07022	100.0
132.07326	1.3
133.06468	0.9
133.10094	0.7
135.08046	1.6
136.05246	0.9
137.05957	35.9
138.06291	0.6
141.05453	2.5
143.04930	0.6
145.04955	2.0
145.06409	1.4
147.04475	0.5
147.07983	0.9
149.05978	5.1
151.03883	2.0
151.07520	32.5
152.07899	0.5
157.06459	3.7
159.06523	3.4
161.05963	4.8
161.09634	1.3
161.15520	0.5
162.06659	0.6
163.07515	10.7
165.06993	1.5
165.09111	2.0
166.12198	0.7
167.08597	2.9
171.06506	0.8
174.06740	2.2
175.07529	3.8
177.07559	9.1
177.09096	8.2
178.07843	0.9
179.08531	0.6
181.06468	0.7
181.10071	0.7
187.07578	0.9
189.09079	10.6
193.06514	1.3
193.10153	1.8
194.07242	0.6
195.08057	6.2
197.09659	0.8
207.08263	0.7
207.10178	1.9
210.06778	1.3
211.07416	0.8
212.08250	1.1
215.07018	0.7
219.10159	1.2
221.05981	1.8
221.09601	2.6
221.11801	1.8
223.07469	3.0
224.08284	0.8
225.09102	2.8
227.10625	10.4
233.09476	0.8
234.06720	0.7
235.07513	0.9
237.09097	1.1
238.06201	1.0
240.07732	1.2
241.12062	0.6
243.08469	1.2
249.09070	1.4
249.11243	1.2
250.09734	0.5
251.10916	0.6
251.35080	0.6
253.08577	4.3
253.12138	5.1
255.10138	11.2
261.09198	1.0
265.08792	0.9
267.10129	2.0
269.08032	1.1
269.11685	0.9
270.08829	0.8
272.10471	1.3
277.08868	0.6
281.11688	1.7
285.11371	6.2
287.12747	13.8
288.13028	0.7
291.10571	3.3
293.11572	0.8
295.89188	0.5
297.11194	1.5
298.11740	0.7
299.12772	2.5
301.14279	0.7
303.10574	3.1
309.11139	0.8
311.12793	2.2
313.14288	14.7
321.11661	2.8
321.24185	0.9
331.15344	49.3
332.15704	1.6
335.12634	0.6
341.13779	1.7
343.15350	9.2
353.13770	0.9
355.15359	2.3
365.13907	0.6
367.15372	1.2
368.81641	0.5
379.15442	1.4
385.16537	1.0
393.17096	0.8
397.16342	1.9
403.15344	1.0
421.16516	5.9
439.17630	2.4
454.21661	0.6
511.59692	0.6
615.24506	1.2
633.25720	0.7
698.27246	0.7
698.41510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
53.09375	2.5
53.39761	4.2
53.60466	2.9
55.05507	25.5
57.03424	6.7
57.07075	20.3
58.89037	3.4
61.02919	21.9
67.05495	32.0
69.07063	45.4
71.08627	9.6
71.43875	3.3
71.59848	3.1
73.02883	10.5
79.05489	15.0
81.07044	45.4
83.08611	37.0
85.02891	30.1
85.10139	3.4
91.03959	27.0
93.07035	27.6
95.08585	38.4
97.02863	12.2
97.06532	7.1
97.10133	17.9
107.08568	18.7
109.10155	25.3
111.08062	5.1
111.11675	6.4
114.00240	2.9
118.19959	3.2
121.10123	31.0
123.11679	10.8
125.96281	3.5
127.03868	8.4
135.11673	31.9
139.11099	3.7
145.04962	12.0
149.13240	15.3
151.14764	4.8
161.16924	3.1
163.05992	17.0
163.14772	4.1
165.16339	3.3
191.17859	4.3
239.09447	3.1
247.24184	29.7
265.25214	79.2
283.26346	16.3
330.34735	3.6
332.28433	3.3
332.85068	4.0
339.28888	100.0
340.29123	4.7
357.29950	44.5
698.44409	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	698.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83895	1.4
55.01869	2.3
55.05252	2.9
55.05505	27.9
55.05776	1.4
57.03182	1.4
57.03423	7.2
57.07069	16.8
61.02919	25.7
67.05497	29.6
67.05858	1.8
69.03414	3.2
69.07062	46.4
69.07446	2.3
69.44219	6.7
71.04984	3.2
71.08624	11.4
73.02909	7.6
75.04472	2.2
79.05492	10.3
81.07041	42.3
81.07497	2.4
82.62905	1.3
83.08608	35.1
83.46088	1.3
84.97841	1.4
85.02892	32.5
85.06531	3.8
85.10177	5.3
85.42383	1.5
88.78139	1.3
91.03944	30.6
93.07037	14.6
95.08591	38.0
95.29234	1.3
97.02863	14.2
97.06527	5.5
97.10154	22.5
98.22768	2.7
99.08090	4.0
104.00076	1.7
104.08294	1.8
105.40839	1.6
107.08578	15.2
109.10145	26.9
111.08073	4.9
111.11709	9.4
121.10120	31.1
121.21043	1.6
123.11696	8.2
125.09625	1.8
125.13210	2.6
127.03885	12.4
135.11670	28.0
136.54131	1.5
137.13261	3.5
139.11192	1.7
145.04915	15.0
146.11739	1.8
149.13217	11.7
151.14812	4.6
153.12683	2.2
163.05994	23.2
163.14774	7.1
165.16409	2.6
167.14330	1.7
167.90541	1.7
177.16301	3.0
185.15433	1.8
191.17979	3.1
247.24174	30.7
265.25223	100.0
266.25540	2.9
283.26300	18.3
339.28891	83.4
340.29190	4.0
357.29941	53.4
358.30017	1.9
491.78140	1.5
618.34625	1.7
698.46124	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	698.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.7
57.03429	54.6
67.05148	4.5
67.05489	46.2
69.07053	9.1
69.16553	2.2
70.02725	2.0
71.01334	5.7
71.04988	3.7
77.03876	2.3
79.05482	50.0
81.03413	3.6
81.07040	42.6
82.07379	2.8
83.04988	6.2
83.08594	18.0
85.02915	3.5
91.05464	20.8
91.57310	2.1
93.07027	60.1
95.04958	6.6
95.08593	34.1
98.22700	6.6
101.91193	2.1
102.79165	2.1
105.07017	10.2
107.08568	19.1
109.10149	10.4
109.73595	2.5
117.07017	3.9
119.08562	8.9
121.10124	49.9
123.08026	4.6
123.11706	5.0
131.08511	11.8
133.10094	6.6
135.11670	5.7
137.09607	2.9
137.13321	2.8
139.11159	16.3
145.10120	3.9
147.11642	4.7
149.09578	5.5
149.13248	6.3
159.11636	3.7
167.10684	10.7
173.13255	5.8
185.11639	2.3
194.68330	2.2
201.16272	2.2
239.12613	4.4
241.14302	100.0
242.14703	4.5
261.22058	16.5
270.18198	2.2
307.22641	3.2
335.22122	4.4
335.25748	41.3
335.29538	3.3
336.26178	3.4
394.20856	3.1
409.30905	2.8
427.32034	3.5
501.35587	50.9
502.36316	3.7
552.26599	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	699.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19646	0.5
72.49908	0.3
74.12806	0.4
78.04693	0.7
79.05494	0.7
91.05463	0.5
93.06992	0.5
102.04705	0.5
103.05464	3.4
104.06246	2.6
105.07042	2.7
105.95107	0.4
115.05473	1.1
117.03383	0.6
118.04142	0.9
121.06496	1.0
130.04155	1.0
131.04912	13.3
132.05698	15.6
133.06506	2.2
137.05972	0.7
146.03610	2.0
147.04414	1.1
147.69899	0.5
149.06000	1.0
153.01799	2.0
160.05180	5.5
161.05960	10.2
162.03073	0.6
167.07068	0.5
173.05946	0.5
176.04730	1.0
177.05441	2.5
178.06281	2.7
181.08600	3.0
191.07008	3.9
192.07759	4.6
193.04939	0.5
203.03383	2.8
205.05034	0.8
215.94221	0.4
229.04913	5.1
241.04965	0.4
242.05685	5.0
253.04958	0.6
257.04416	46.5
258.05170	7.1
269.04477	1.4
270.05231	1.8
271.06073	2.2
283.05844	0.5
285.03903	4.2
286.04669	16.4
287.05453	15.8
288.05777	0.4
295.06042	0.5
297.03986	1.2
300.06339	1.5
301.07404	0.6
333.26492	0.5
385.06900	0.6
387.58005	0.4
391.07468	0.4
399.08511	0.5
412.05161	0.5
413.06271	0.5
414.07373	0.7
417.09647	0.8
419.07822	0.5
444.07980	0.5
445.09210	6.6
447.07468	0.6
462.09436	1.3
477.11719	13.3
478.12402	0.5
537.13855	100.0
538.14221	5.9
561.28192	0.4
609.43176	0.5
669.80347	0.5
701.75757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60069	0.3
56.05027	2.5
65.47066	0.3
68.97382	0.3
69.57034	0.6
69.57413	0.7
70.87830	0.3
73.99911	0.4
84.04497	79.8
84.08129	0.8
84.55456	0.3
85.02886	1.1
85.04834	0.6
101.07128	5.9
102.05545	3.5
105.54102	0.3
115.03917	2.2
130.04990	95.7
131.05373	1.0
133.04962	0.4
147.07628	100.0
148.06071	3.6
148.07939	0.7
154.03226	0.4
259.08145	0.6
260.16055	0.3
277.09143	1.1
293.35193	0.3
422.06339	0.3
535.38672	0.3
621.22632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.28065	0.2
63.78060	0.1
69.12955	1.2
87.04462	0.2
89.57291	0.2
98.23404	0.4
106.02055	0.1
109.10226	0.2
111.89124	0.2
119.14487	0.2
149.02370	0.2
150.48878	0.1
178.57230	0.2
185.04190	0.8
187.25832	0.2
191.14445	0.2
193.05045	0.2
195.38135	0.2
203.05312	0.3
205.04980	0.4
259.08005	0.4
277.25732	0.2
301.20062	0.2
347.09518	0.9
375.24924	0.2
413.75482	0.2
537.30267	18.4
538.30615	1.0
572.26013	0.2
699.35492	100.0
700.35785	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	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61915	0.1
51.80120	0.1
67.05495	0.2
71.44320	0.2
93.07035	0.2
124.90523	0.2
152.75537	0.2
185.04233	0.7
203.05283	2.0
205.04897	0.2
259.07864	1.6
293.91208	0.2
299.79541	0.2
301.20230	0.7
347.09457	1.2
365.10461	3.0
421.13113	1.1
537.30267	17.7
538.31061	0.9
699.35504	100.0
700.35840	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	699.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05430	2.4
55.17189	0.4
56.96482	15.9
56.96791	2.5
59.07357	0.5
68.30316	0.5
71.41969	0.5
71.95190	0.5
72.95991	0.7
78.63538	0.5
83.08525	1.9
83.08974	0.5
105.00124	0.5
110.97520	0.8
128.98515	1.2
137.02655	0.7
141.02144	0.9
153.19423	0.5
159.03200	0.7
171.03200	0.9
173.04715	0.8
181.05252	0.6
183.03160	0.8
185.04697	1.2
187.06316	0.8
189.04379	0.7
189.07874	0.9
191.05789	0.5
195.06763	1.5
197.21164	0.5
199.06487	3.9
201.07933	0.6
203.05878	3.0
204.06720	0.6
205.07347	0.9
207.06877	1.2
211.06392	1.2
213.07968	11.6
215.05812	0.8
217.07388	5.2
219.06795	0.6
223.09962	1.7
225.06285	0.5
225.07970	5.0
229.07425	5.0
231.06894	0.9
231.09009	15.6
237.07928	3.4
239.09525	4.9
241.11070	11.7
243.09058	5.4
247.08461	3.6
251.09476	7.8
253.11021	1.5
255.09050	5.0
257.10593	5.0
258.07761	0.6
259.12146	14.2
267.08987	0.8
269.10568	50.2
270.10812	1.6
271.11969	1.2
273.10046	3.1
281.10577	0.7
285.10144	0.6
287.11612	22.9
288.11792	1.0
292.12228	2.5
295.12085	0.6
309.17355	1.0
315.16327	1.2
322.21335	0.5
323.18747	0.7
333.17297	19.1
334.17737	0.9
339.18347	1.0
351.18365	41.5
352.18674	1.5
369.19418	100.0
370.19794	4.6
374.20016	2.5
387.20477	84.3
388.20770	3.3
410.17010	1.1
410.22015	10.5
411.21960	0.6
444.22229	0.5
546.90149	0.6
681.42456	1.3
699.43591	27.0
700.43884	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	700.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	1.6
79.05486	2.0
80.05015	1.3
81.03397	1.3
82.06573	1.1
85.02921	2.4
87.04464	0.7
91.05492	2.0
93.07046	3.9
94.06544	7.5
95.04965	1.5
95.07327	4.1
95.08609	0.7
96.08115	13.6
97.02895	1.1
97.06521	1.1
103.05437	1.0
105.03390	1.2
106.06596	0.8
108.08106	11.6
109.08871	1.1
110.09671	22.0
116.04986	1.8
118.06566	1.1
120.04440	4.8
120.08096	16.4
121.06522	1.0
122.06018	3.9
122.09709	1.1
124.07571	4.4
134.06000	1.6
136.07556	8.2
137.05998	2.7
138.05482	3.7
138.09126	40.4
144.04398	3.7
146.05952	3.8
148.03888	1.0
148.07588	5.9
150.05487	1.2
150.09160	1.7
152.07086	1.6
160.03941	1.5
161.05986	0.9
162.05508	2.7
163.03938	1.4
164.07069	1.5
166.04977	4.4
166.08615	69.8
167.08864	1.2
172.03917	30.5
178.04994	0.9
190.04970	12.9
192.06493	0.8
196.10071	0.8
197.10789	1.4
204.06535	21.4
206.36995	0.7
209.10747	1.4
211.12305	0.9
212.09467	2.0
213.10283	1.3
216.48387	0.8
222.11476	1.0
223.12256	0.9
224.09398	1.4
225.10229	3.5
227.11763	2.0
236.09523	2.0
237.10216	9.2
238.10979	1.8
239.08119	1.6
239.11830	2.8
240.08958	0.9
241.09599	2.7
245.12862	1.4
247.14490	2.8
249.10309	1.2
250.10956	0.9
251.08182	2.2
251.11784	7.3
252.08913	1.7
252.12485	1.6
253.09729	4.7
253.13240	0.9
255.11307	3.1
257.12909	1.0
262.10654	0.8
263.11713	1.1
264.08755	0.8
265.09692	14.8
266.10431	2.5
267.11285	3.4
268.08600	1.0
269.12741	1.2
271.10834	2.1
273.12250	6.7
278.06525	5.7
279.11264	9.8
280.08475	1.8
281.09317	1.7
281.12854	2.7
283.10803	6.4
285.12381	1.3
292.08237	2.0
293.09164	17.5
294.09909	3.6
295.10876	1.0
297.12271	6.7
299.10266	3.2
300.10980	1.0
307.10651	4.2
309.12436	3.5
311.10321	3.2
312.11087	2.7
313.11697	5.3
325.11832	18.3
327.13455	0.9
335.10175	7.0
339.13571	0.8
340.10684	2.1
341.11285	18.0
342.11282	0.8
343.13153	1.0
348.84552	1.0
353.11261	14.0
357.14359	7.6
373.13876	8.2
385.13855	6.1
418.17871	1.0
437.19263	0.8
460.18781	2.3
465.18851	5.8
474.19714	0.9
478.19778	6.0
488.18011	7.2
492.21497	0.9
506.19174	100.0
507.19446	4.7
510.22214	2.0
520.20770	2.2
538.21857	20.5
539.22339	1.4
669.24939	2.0
701.27051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19947	0.5
53.03946	1.4
65.03905	0.7
67.05496	0.9
67.39790	0.6
69.03426	2.9
79.05503	1.8
80.05038	0.7
81.03413	1.2
85.02884	3.8
87.04459	0.9
88.28139	0.6
91.05472	1.7
93.07046	2.3
94.06560	4.1
95.04953	1.0
95.07350	0.9
95.08633	0.7
96.08134	2.4
97.02886	2.3
103.05467	0.9
104.51429	0.6
105.07028	1.1
106.06522	0.7
107.07346	2.1
107.08558	0.7
108.04506	1.1
108.08104	5.5
109.02839	0.7
110.06031	0.9
110.09672	3.8
110.85577	0.6
118.06512	0.7
120.04452	3.5
120.08084	4.3
121.06512	0.9
121.10135	1.1
122.03635	1.0
122.05978	2.7
122.09653	2.9
124.07594	2.2
127.03913	0.6
132.08076	2.0
134.06039	1.4
136.07562	8.3
137.05984	5.6
137.08308	0.9
138.05452	1.1
138.09122	7.1
146.05998	5.6
148.07530	4.3
149.09648	2.3
150.09068	4.4
151.03922	0.8
152.07042	6.0
152.10693	0.9
160.05280	0.6
160.07585	1.9
161.05946	1.6
162.09164	0.9
163.04004	0.5
166.04944	0.5
166.08627	16.2
167.07005	5.4
168.10150	0.7
174.05609	0.7
175.07527	1.1
177.05499	0.6
177.07800	0.7
178.08646	0.8
179.07074	0.9
180.06569	0.9
180.10217	1.8
182.08226	0.9
182.09674	1.0
182.11859	1.0
184.10080	1.4
185.10753	1.1
187.06218	0.9
188.07027	1.4
192.06509	1.3
192.10243	1.8
193.04901	1.1
194.08096	7.2
194.09451	0.6
196.09749	1.5
197.10780	3.0
198.11505	1.4
199.12352	2.1
204.10309	1.0
206.08203	1.6
209.10722	1.1
210.11519	0.9
211.12361	2.1
212.09392	1.3
213.10286	2.6
220.09741	0.8
221.10954	0.8
222.11160	3.8
223.12367	1.1
225.10196	6.6
226.10925	3.3
227.11746	3.1
231.14983	1.0
233.06815	0.9
234.07458	0.7
235.08595	0.8
236.09082	2.7
237.10204	4.1
238.11044	1.2
239.11795	6.6
240.12593	1.1
241.09886	0.6
241.13293	1.7
245.12808	1.2
248.09158	13.5
249.10326	2.0
250.11069	0.9
251.11829	3.6
252.12589	1.3
253.09767	7.0
253.13358	2.3
255.11372	1.9
257.12961	1.0
259.14532	1.4
261.10281	0.7
261.16049	1.0
262.11060	0.8
263.11871	1.6
265.09653	3.1
266.10574	1.3
267.11325	7.9
268.11740	0.8
269.12900	1.8
270.13519	0.7
273.12418	1.3
277.09607	1.0
278.10397	1.1
279.08240	1.1
279.11298	4.9
280.12088	1.9
281.12811	5.4
282.13391	0.7
283.10803	1.5
284.11511	0.8
285.12378	3.8
286.13315	1.2
287.05368	1.2
287.13843	6.6
289.09686	2.1
291.11246	1.5
293.09210	2.2
293.12912	1.9
294.10019	1.3
295.10760	3.1
295.13873	0.7
296.11685	0.9
297.12225	2.3
298.12943	1.6
299.13770	3.9
301.15497	3.1
307.10812	0.7
309.12326	3.5
311.10275	1.6
311.13956	2.7
312.11368	1.0
313.11877	10.7
313.15491	3.5
314.12463	0.9
317.09131	0.7
323.13879	1.3
325.11942	1.5
326.12518	4.6
327.13339	5.0
328.14111	6.2
329.14926	15.6
335.06189	1.0
335.10104	4.1
337.11743	1.0
339.13303	7.7
340.10577	0.8
341.11148	0.6
341.14911	16.0
342.15717	1.2
353.11414	2.9
354.11908	1.0
355.12866	3.6
367.12778	5.3
400.16708	0.7
402.18127	0.8
409.19830	0.8
416.19971	0.7
432.19626	0.7
434.20834	1.3
444.19528	1.1
452.21869	1.9
460.18286	0.8
462.20212	2.5
466.23511	0.8
476.21753	1.2
480.21368	1.1
488.18127	5.4
494.22797	32.5
495.22968	1.3
506.19125	3.7
513.19562	0.7
520.20807	2.3
624.25311	9.4
625.25891	0.7
650.23090	2.0
656.28015	100.0
657.28412	7.2
682.25946	14.0
683.26086	0.8
700.22931	0.8
701.26257	0.6
701.48834	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	700.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.8
67.05481	0.9
69.03416	3.0
70.00874	1.9
70.06598	1.0
79.05484	2.1
80.04994	1.3
81.03402	1.6
81.07042	0.8
81.31522	0.7
82.06547	1.4
85.02874	3.3
89.03925	0.8
91.05477	2.5
92.04984	0.8
93.07038	5.0
94.06561	7.6
95.04955	1.5
95.07347	5.1
95.07869	0.9
95.08617	0.8
96.08113	12.8
96.84754	0.6
97.02874	3.0
97.06526	1.7
103.05469	1.9
105.04565	0.7
105.07043	0.8
108.04504	0.9
108.08100	12.3
110.09668	22.5
116.04971	2.1
117.03365	1.0
118.06519	1.2
119.04937	0.9
120.04457	4.5
120.08091	16.2
121.06512	1.0
122.06010	2.9
122.09668	0.9
123.04402	0.8
123.06757	0.9
124.07572	5.1
127.03896	0.9
127.51563	0.7
134.06020	2.0
135.04405	1.0
136.07545	8.1
137.05954	7.2
138.05492	2.6
138.06395	1.1
138.09120	37.1
139.09435	1.3
144.04474	4.7
145.02896	1.6
146.05994	5.4
147.04448	0.8
148.07492	4.6
150.05481	0.8
150.09171	1.5
150.78543	0.7
152.07048	1.3
160.03941	2.1
161.06062	0.9
162.05513	2.9
163.03851	4.3
163.07558	0.7
164.11160	0.7
166.04976	3.6
166.08614	64.4
167.09103	1.2
168.74469	0.7
172.03906	26.4
174.05455	0.8
175.07509	2.1
177.05458	3.1
178.05005	1.7
179.07147	0.8
187.07410	1.0
190.04958	11.0
204.06548	9.6
205.04889	1.2
209.10751	1.8
211.12305	1.5
212.09375	2.3
213.10258	0.7
222.11511	1.0
223.08730	0.9
223.12358	0.9
224.09396	2.3
225.10254	2.7
227.11751	1.9
235.08810	1.4
236.09494	3.1
237.10179	9.4
238.10942	2.1
239.08121	1.0
239.11774	2.3
241.09851	1.3
245.12793	1.5
247.14445	3.3
249.10179	1.3
250.07243	1.0
251.09143	1.6
251.11790	7.2
252.08916	1.5
252.12408	1.3
253.09705	6.5
253.13452	1.5
255.11267	2.3
257.12686	0.7
264.08945	1.1
265.09677	17.2
265.12411	1.0
266.10321	2.8
267.11292	3.6
268.08365	1.2
271.10843	2.0
273.12341	3.9
277.07053	0.8
278.06552	5.9
279.11267	7.9
280.08273	1.6
280.11954	1.2
281.09241	2.5
281.12918	2.7
283.10788	4.8
285.12296	1.2
289.09756	1.3
292.08011	1.7
293.09134	18.8
294.09686	3.5
295.10703	1.8
297.12265	5.5
299.10355	3.0
300.11090	1.0
307.10745	4.4
309.12238	3.8
311.10275	2.9
312.10950	3.0
313.11908	3.4
321.11307	1.0
323.10025	1.0
325.11783	16.4
335.10141	7.1
340.10361	1.9
341.11261	14.1
342.11508	0.9
353.11264	14.4
357.14536	4.4
373.13928	10.0
385.14038	6.3
406.17511	1.0
437.19717	0.9
460.18634	2.2
462.20081	0.8
465.18863	6.1
478.19754	3.9
488.18088	5.6
492.21533	0.9
506.19165	100.0
507.19321	6.6
510.22272	1.3
520.20947	2.2
538.21948	18.8
539.21936	1.0
700.21973	1.2
701.23230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01285	0.5
53.03942	0.6
54.02221	0.6
56.84661	0.6
64.39798	0.6
67.05490	1.0
69.03423	2.8
70.06569	0.8
71.43126	0.7
79.05495	2.2
80.04991	1.0
81.03405	0.8
82.06571	1.0
85.02898	3.8
89.03921	0.9
91.05479	2.8
93.05827	0.7
93.07042	4.1
94.06568	7.8
95.04939	1.6
95.07351	5.0
96.08115	14.8
97.02872	3.6
97.06535	2.1
103.05460	1.4
105.07017	1.1
106.06545	1.4
108.08094	10.6
109.08922	0.8
110.09666	23.7
116.04977	2.8
117.03381	0.7
118.06552	0.9
120.04438	5.2
120.08087	14.3
121.06501	1.1
122.06028	3.8
122.09669	0.8
123.04385	0.9
123.06790	0.9
124.07573	5.0
134.06013	1.5
136.07555	7.9
137.05959	7.3
138.05481	3.3
138.09120	39.2
144.04424	4.3
145.02858	2.1
146.05959	3.8
148.07520	4.5
149.05841	0.7
150.05453	1.2
150.09143	2.1
151.07503	1.0
152.07076	1.2
153.05632	0.7
158.05951	0.6
159.37018	0.7
160.03963	1.6
161.05942	1.3
162.05492	2.4
163.03836	3.4
164.07074	1.0
166.05006	3.1
166.08617	66.1
167.09024	1.1
172.03912	25.5
174.05469	1.2
175.07536	2.7
177.05452	3.6
178.05028	1.9
179.07033	0.8
184.09932	0.7
187.07477	1.2
188.07011	1.1
190.04980	11.2
192.06577	0.8
197.10625	1.0
204.06543	11.7
205.04926	1.7
209.10687	0.9
211.12299	0.8
212.09447	1.7
213.10202	1.2
216.06773	1.0
222.11674	0.7
223.08678	0.8
223.12184	1.1
224.09479	2.8
225.10179	3.9
226.11040	1.2
227.11794	2.8
235.08742	1.3
236.09404	1.5
237.10159	10.9
238.10980	2.1
239.08151	1.0
239.11842	3.8
240.09038	0.7
241.09673	1.8
245.12946	1.6
247.14444	2.3
249.10347	1.6
250.07314	1.5
250.11134	1.0
251.09331	1.3
251.11790	7.4
252.08966	2.2
252.12566	1.4
253.09705	6.0
253.13489	0.8
255.11165	3.7
263.11862	1.1
264.08914	1.1
265.09714	16.9
266.10400	2.0
267.11282	3.0
268.12112	0.7
269.12814	0.9
271.10791	3.3
273.12277	4.0
277.09793	1.1
278.06516	5.5
279.11221	9.1
280.08395	2.6
281.09396	1.5
281.12833	2.4
283.10727	4.7
285.12231	1.6
292.08224	2.8
293.09128	17.2
294.09885	2.8
295.10706	1.2
296.08054	0.7
296.11551	1.2
297.12338	4.9
299.10355	3.3
300.11044	2.1
307.10889	4.5
309.12183	3.1
311.10260	3.2
312.10971	2.5
313.11621	3.7
321.11252	0.8
322.11450	0.8
323.10068	1.1
325.11746	17.4
326.11963	1.0
327.13556	1.2
335.10156	8.8
339.13519	0.8
340.10547	2.1
341.11234	16.5
343.12912	1.3
344.13629	0.8
347.16141	0.8
353.11255	12.9
354.11777	1.1
357.14444	4.4
371.12097	1.1
373.13864	10.4
385.13873	6.2
400.16360	0.8
418.17654	1.2
460.18658	2.2
462.20352	0.8
465.18747	6.9
478.19788	4.7
488.18170	6.7
506.19171	100.0
507.19446	5.7
510.22430	1.2
520.20679	2.7
538.21893	19.8
539.21741	1.3
700.20758	0.8
701.24335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
53.62559	0.5
53.87323	0.5
55.01867	0.8
57.56347	0.5
61.02912	1.3
65.03935	0.7
69.03407	1.4
70.06594	1.3
71.41490	0.8
81.03418	2.0
83.91239	0.7
84.11160	0.5
85.02899	8.3
91.05473	1.7
94.04173	1.7
97.02888	1.7
103.05479	1.1
108.34579	0.5
109.02893	0.7
109.06504	1.1
111.04414	1.3
115.05445	5.4
117.07009	1.4
120.42541	0.5
122.03633	2.7
125.05953	1.2
127.03870	1.2
128.06215	1.1
129.07011	5.3
131.04907	3.9
133.02844	0.8
137.05966	74.1
138.06319	1.1
143.04912	10.7
144.05681	1.3
145.04918	2.5
145.06433	2.0
146.03734	0.7
147.08018	1.0
149.05977	0.8
151.03865	1.0
151.07480	1.0
153.05453	2.5
157.06464	4.4
160.05185	15.6
161.05952	2.3
163.06038	0.7
163.07497	2.3
165.05574	0.8
172.05225	2.9
173.06006	0.8
174.06818	1.6
175.07530	100.0
176.07884	2.5
180.08665	1.1
187.07530	34.3
188.07999	0.6
189.09100	8.0
199.07542	0.9
201.09068	0.7
203.08629	1.3
205.08589	23.1
211.07515	0.9
217.08618	4.0
219.08017	2.1
227.12784	1.0
231.08035	2.1
235.09627	29.0
236.09953	1.2
239.06956	1.5
247.07446	1.5
248.08284	1.6
251.10692	0.7
255.06538	1.5
259.07578	1.3
260.08270	0.6
263.10614	2.0
270.08783	1.5
271.09665	4.2
276.07709	1.5
279.10110	2.3
283.09583	1.1
291.10089	6.5
292.10641	0.8
311.12698	2.7
323.12674	6.4
335.17874	0.6
341.13757	11.5
575.35413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05065	0.7
53.03931	1.3
55.01868	1.9
55.05503	4.2
55.59960	0.7
56.05007	0.7
56.05845	1.0
57.03424	3.2
57.63716	0.6
61.02921	4.6
65.03941	0.8
69.03429	8.9
70.06590	1.5
71.04992	1.3
73.02916	1.8
76.51317	0.6
79.05519	1.0
81.03416	5.7
81.07035	0.9
83.04978	0.9
83.08612	2.8
84.08150	1.3
84.08948	1.3
85.02898	49.0
87.04458	0.8
91.03956	2.5
91.05484	2.6
94.04189	1.8
95.04971	0.9
97.02884	14.8
99.04444	2.8
100.07615	1.3
100.11241	16.5
100.32948	0.7
101.11576	5.5
102.11893	0.8
103.05470	3.5
105.07025	2.0
107.04949	1.5
108.08056	0.9
109.02854	4.2
109.06518	1.2
110.06087	0.8
111.04401	3.3
115.05411	4.6
117.05503	0.9
117.07025	1.5
119.04913	1.1
119.08540	1.5
120.08094	1.2
122.03638	6.0
127.03913	10.9
128.06192	2.2
128.07042	1.8
129.06924	3.6
131.04903	8.2
132.05684	2.0
133.06482	1.1
137.05963	100.0
138.06316	1.3
143.04909	8.1
144.05675	1.6
144.45671	0.6
145.04944	20.1
145.06229	1.1
147.08037	1.9
149.05962	1.5
151.03909	1.5
151.07463	1.4
153.05481	1.7
157.06471	3.7
160.05188	11.7
161.05969	6.0
163.06004	4.5
163.07530	11.6
166.08690	2.0
167.06937	0.9
172.03934	1.1
172.05202	2.8
174.06653	1.3
175.07526	99.9
176.07823	2.2
177.09068	1.1
179.07030	1.2
180.08699	0.7
181.04898	0.7
182.15376	4.4
183.15744	3.6
185.05980	1.2
187.07518	26.2
189.09105	4.6
190.07809	0.9
191.08502	3.2
192.07727	0.8
193.08630	0.9
199.07559	4.2
201.09019	1.0
202.07654	0.9
203.08502	2.4
205.06624	1.6
205.08568	17.0
209.16457	2.2
210.14857	4.5
210.16786	2.1
211.07559	1.3
211.15190	4.4
212.15439	1.3
217.08549	2.8
219.08073	5.1
220.08838	1.0
231.08005	4.2
235.07295	1.5
235.09608	19.9
247.07509	2.2
248.08264	3.1
251.10585	5.1
259.07498	2.5
260.08136	1.5
261.09027	0.7
263.10693	3.6
264.56564	0.8
265.08652	0.9
270.08850	1.0
271.09546	2.8
276.07642	1.8
277.08572	1.6
279.10144	4.8
283.09515	1.1
291.10095	6.2
292.10635	1.3
296.10376	0.8
311.12732	14.4
323.12726	15.0
325.14517	4.0
341.13873	10.1
359.14746	0.9
421.23322	0.8
506.18842	3.0
699.52795	24.0
700.52917	5.5
709.73743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19495	0.4
53.03950	0.3
55.01866	0.5
57.03429	0.4
58.82726	0.4
61.02929	0.9
65.03921	0.4
69.03422	1.1
70.54469	0.5
70.54795	0.4
71.04981	0.4
81.03416	1.7
81.07066	0.5
85.02897	6.3
91.05482	0.9
93.03429	0.5
94.04203	1.1
97.02896	2.0
103.05482	0.8
109.02876	0.5
109.06515	1.2
111.04419	0.7
115.05445	4.7
117.07024	1.4
122.03646	3.5
125.05971	0.8
126.35392	0.3
127.03911	1.4
128.06232	0.6
129.06993	3.9
131.04944	2.5
137.05969	63.7
138.06285	1.2
143.04912	9.2
144.05647	1.2
145.04968	2.3
145.06453	1.1
146.03586	0.5
149.05994	0.4
151.03926	0.8
151.07576	0.5
153.05447	2.2
157.06490	3.7
160.03844	0.7
160.05194	13.7
161.06035	2.0
162.07690	0.5
163.06169	0.8
163.07539	2.2
172.05231	2.0
173.06052	0.6
174.06741	1.4
174.89813	0.4
175.07532	100.0
176.07887	2.1
177.05486	0.4
177.09091	0.7
180.08617	0.9
185.05937	0.4
186.03552	0.4
187.07529	32.3
188.08002	1.1
189.09065	6.8
191.08539	0.5
193.08481	0.4
203.08534	1.3
205.08592	23.8
206.08974	0.6
211.07512	1.5
217.08566	3.9
219.08099	0.8
231.08034	1.9
235.09619	31.0
236.09978	0.6
239.06920	2.1
240.07649	0.4
247.07454	0.8
248.08330	1.2
251.10736	1.0
255.06364	0.7
259.07504	1.0
263.10626	1.6
264.07724	0.4
270.08795	1.7
271.09564	3.6
276.07867	1.0
279.10107	0.9
283.09625	0.6
291.10141	5.1
311.12662	1.8
323.12750	6.0
341.13812	10.4
355.46014	0.4
373.82529	0.4
467.90842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
61.02904	0.9
67.05508	0.6
69.03414	2.1
71.44083	0.7
79.05500	1.5
80.50694	0.5
81.03412	0.7
81.07050	0.7
85.02892	7.5
91.05444	3.4
93.06998	0.6
97.02876	1.8
97.68911	0.6
103.05434	5.0
107.04946	1.1
109.02814	0.8
109.10103	1.1
117.07000	1.7
119.04924	3.7
121.06487	0.9
123.04429	1.5
123.08039	1.3
127.03868	1.9
128.06171	1.1
129.06982	1.9
131.04909	12.4
131.05873	0.9
135.04395	29.0
135.08037	0.6
137.05959	5.1
137.09595	0.8
145.04932	1.9
145.06412	1.2
147.04387	1.4
149.02321	1.1
149.05960	26.3
149.07162	1.3
151.07503	7.1
157.06467	2.9
159.04440	4.4
161.05956	48.9
162.06555	1.2
163.07527	3.7
165.06949	0.8
165.09071	2.2
167.08514	4.0
171.04362	0.6
173.05931	0.8
174.06714	0.8
175.07523	4.6
177.09081	73.4
178.09331	0.6
179.08463	0.7
187.07481	1.0
189.09062	6.0
193.06567	0.7
193.08432	0.7
193.10068	2.2
195.08040	7.5
195.10121	4.5
203.10648	0.7
207.10014	1.5
209.09663	1.0
212.08318	0.8
221.06017	1.7
221.09593	3.5
221.11674	22.5
223.07527	5.2
224.51834	0.6
225.09096	6.4
227.10616	4.6
235.07457	0.7
239.10649	1.1
240.07745	1.0
249.09088	1.8
251.07042	2.8
251.10591	5.8
253.08542	8.5
255.10078	6.2
261.09137	0.7
263.10696	0.7
265.08548	2.1
267.06454	1.4
268.07327	0.7
270.08862	0.8
279.10150	3.0
281.11783	0.8
282.08752	1.4
283.09549	9.9
285.11169	38.1
293.11990	0.8
295.09656	1.8
296.10272	0.9
297.11075	4.7
299.12683	3.3
311.12741	15.8
323.12540	0.7
323.25793	1.1
329.13776	100.0
330.14001	3.1
341.13748	12.5
343.15369	2.0
465.42603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.1
57.03444	3.4
57.07069	41.7
61.02919	18.0
67.05493	13.4
69.03421	1.4
69.07066	8.2
71.08622	34.7
73.02905	5.4
75.04459	2.3
79.05472	1.0
80.07024	0.7
81.07050	17.0
83.08608	11.2
83.13911	0.6
85.02894	17.1
85.10166	19.6
86.32788	0.6
91.03382	1.0
91.03940	13.9
95.08595	22.5
97.02868	8.0
97.10159	10.8
99.04449	1.2
99.11707	1.5
103.07594	1.2
109.02835	0.9
109.10141	13.6
111.11707	5.1
115.03899	1.3
122.55623	0.7
123.11701	5.2
125.13216	0.9
127.03918	5.5
131.60484	0.7
137.13205	2.9
145.04939	8.2
151.14781	0.9
163.06003	11.8
166.71161	0.7
172.22910	0.7
249.25749	1.4
259.24506	0.7
267.23877	1.1
267.26791	22.6
268.27103	1.3
285.27951	3.8
341.30457	100.0
342.30792	5.5
359.31491	30.4
360.31705	1.6
700.43567	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	700.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.9
57.03424	8.6
57.07061	6.6
59.04979	3.8
61.02919	5.2
67.05497	54.3
69.07069	5.7
79.05486	12.1
81.06644	3.5
81.07056	26.7
83.08612	4.9
85.02835	5.3
86.18953	3.1
91.03959	5.3
91.05466	9.5
93.07043	14.6
95.08602	19.0
105.07022	7.9
107.08569	7.6
109.10146	38.8
119.08511	4.3
121.10125	4.6
123.11684	4.7
131.08553	4.6
135.11702	5.7
147.11685	4.7
149.13373	5.7
155.10725	3.9
159.11597	3.5
159.94548	3.8
173.11725	18.0
227.12817	5.2
229.14316	100.0
241.35045	3.6
243.15849	4.2
261.22046	20.2
317.24323	3.6
330.99426	3.8
335.25696	71.8
341.30557	4.8
489.35944	30.1
559.88489	3.7
662.52820	3.5
684.51837	3.8
700.45276	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	700.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.9
57.03424	8.6
57.07061	6.6
59.04979	3.8
61.02919	5.2
67.05497	54.3
69.07069	5.7
79.05486	12.1
81.06644	3.5
81.07056	26.7
83.08612	4.9
85.02835	5.3
86.18953	3.1
91.03959	5.3
91.05466	9.5
93.07043	14.6
95.08602	19.0
105.07022	7.9
107.08569	7.6
109.10146	38.8
119.08511	4.3
121.10125	4.6
123.11684	4.7
131.08553	4.6
135.11702	5.7
147.11685	4.7
149.13373	5.7
155.10725	3.9
159.11597	3.5
159.94548	3.8
173.11725	18.0
227.12817	5.2
229.14316	100.0
241.35045	3.6
243.15849	4.2
261.22046	20.2
317.24323	3.6
330.99426	3.8
335.25696	71.8
341.30557	4.8
489.35944	30.1
559.88489	3.7
662.52820	3.5
684.51837	3.8
700.45276	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	701.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63600	0.5
53.55257	0.5
55.48341	0.5
65.19415	0.5
67.05489	0.8
72.34440	0.5
79.05502	0.7
79.82343	0.5
81.07069	0.8
88.34327	0.6
90.38385	0.4
92.53329	0.6
101.06008	1.0
105.07060	0.6
129.41493	0.6
142.76291	0.5
157.33038	0.5
183.09129	0.9
184.07549	0.6
196.09924	0.9
197.10748	1.5
198.09169	1.0
199.08731	0.5
207.25610	0.5
210.07860	1.1
210.11652	0.7
211.08678	1.6
211.12350	1.0
212.10883	1.2
213.11609	0.9
214.12291	1.2
223.08708	0.6
224.09384	1.4
225.06738	0.7
225.10120	5.5
226.10881	0.7
227.11765	5.3
235.08624	0.9
236.09554	0.6
237.06612	1.7
237.10217	1.2
238.11111	0.7
239.08157	1.9
239.11713	5.1
240.12543	5.5
241.13298	3.1
249.10260	0.7
251.08200	1.2
251.11812	0.6
253.09663	1.4
253.13353	1.7
254.64783	0.5
255.11278	6.9
264.08701	0.8
265.06097	5.0
265.09738	2.2
267.07690	2.8
267.11310	6.1
268.11896	2.7
269.12909	1.0
271.10767	4.0
277.09714	1.2
279.07541	0.8
281.09546	0.6
283.14377	1.3
285.12268	2.8
291.07553	1.3
293.05536	3.1
293.09213	1.6
293.12604	1.2
307.07144	0.6
307.10742	0.9
321.08810	1.1
323.10587	0.6
323.17584	1.1
325.11972	0.6
330.12650	0.7
333.08929	0.5
335.10156	0.8
339.09668	1.5
340.17627	0.5
352.10498	0.5
353.11322	1.6
367.12787	2.7
387.75085	0.6
393.15228	0.5
394.15167	0.5
395.12573	0.8
404.16650	0.8
417.17261	0.7
427.02484	0.5
427.14630	3.2
433.16519	0.9
446.17462	1.0
447.18124	1.1
449.15802	1.1
459.17691	7.1
473.15988	0.9
475.17633	1.7
477.14911	0.8
487.17657	0.8
489.23941	0.7
491.20889	2.0
503.16718	1.0
503.21588	1.0
507.19955	4.3
515.17114	0.8
517.22388	1.2
545.21820	2.0
547.20929	0.7
550.21881	0.9
562.21576	0.7
573.20624	0.7
575.19678	0.8
577.24066	1.5
587.22424	1.1
589.20593	0.6
595.25330	0.9
605.23755	5.5
609.26886	1.8
613.27197	0.7
637.26416	100.0
638.26898	7.9
669.29102	2.4
701.47559	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53941	0.3
67.05476	0.5
69.15562	1.8
74.78759	0.3
88.03045	0.2
93.40475	0.3
138.24651	0.3
150.60266	0.3
185.04201	0.6
232.24026	0.3
259.07956	0.5
347.09558	0.8
377.26794	0.3
421.13135	0.3
434.19037	0.3
539.31830	15.7
540.32440	0.9
701.37048	100.0
702.37347	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	701.371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94780	0.1
57.75863	0.1
57.96066	0.1
67.05473	0.2
69.07047	0.1
75.30081	0.1
79.05429	0.1
81.06994	0.2
88.07569	0.1
93.06997	0.1
95.08512	0.1
98.23432	0.2
121.10104	0.1
123.11663	0.1
147.99904	0.1
149.02263	0.2
183.15248	0.1
185.04204	0.7
193.04889	0.1
203.05235	2.0
256.26263	0.1
259.07895	1.2
275.07211	0.2
305.08264	0.4
321.22574	0.1
347.09442	1.3
365.10486	3.0
377.26437	0.2
421.13177	1.0
429.11893	0.1
539.31830	17.4
540.32031	1.2
596.29431	0.1
701.37012	100.0
702.37421	8.4
704.40302	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	701.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47909	0.7
53.49997	0.7
54.74119	0.7
57.07074	1.3
58.13518	0.7
67.05495	1.0
69.89501	0.7
70.55463	0.8
70.55781	1.3
73.28216	0.9
81.07031	1.2
85.10171	0.8
95.01075	1.4
95.08587	0.9
109.10168	0.8
112.01337	0.7
113.02113	1.6
126.02896	0.7
131.64572	0.8
159.04161	1.0
185.04205	3.2
185.15038	0.7
300.76361	0.7
327.63635	0.8
341.30417	1.0
549.49799	0.9
701.38385	100.0
702.38702	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	702.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70727	0.2
53.03935	1.3
55.01617	0.4
55.01865	5.6
57.03419	0.8
59.04988	2.3
61.02907	0.3
67.05460	0.2
69.03418	10.9
71.04948	0.4
73.02908	0.8
81.02960	0.4
81.03404	4.8
85.02892	5.4
85.03403	0.3
87.04456	6.2
91.03954	0.2
91.42931	0.2
95.04961	0.4
97.02879	15.3
99.04424	1.2
103.03963	0.4
109.02864	5.9
111.04435	0.4
115.03909	100.0
116.04243	1.4
123.04427	0.4
127.03891	8.3
133.04947	13.5
137.05908	0.3
139.03813	0.4
145.04948	3.5
151.03908	0.5
157.04996	0.4
165.05582	0.4
169.04950	0.5
170.75526	0.2
175.06038	0.5
177.05437	0.4
181.04922	0.4
187.05986	1.2
193.04836	0.4
199.06024	0.8
205.06883	0.4
211.05885	1.3
217.06966	1.2
219.10109	0.5
223.06009	2.1
229.06979	2.1
241.07059	3.1
253.07086	0.3
259.08084	15.0
277.09137	12.8
283.08136	0.4
301.09204	2.0
325.09201	0.3
337.09271	0.4
355.10172	1.8
367.10135	1.0
373.11380	3.4
385.11102	0.6
391.12289	1.0
443.24710	0.3
459.56693	0.3
481.13437	1.5
499.14362	1.9
517.15381	1.7
535.16266	0.7
568.25842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
53.03947	0.9
53.93715	0.2
55.01863	5.4
55.09207	0.2
57.03419	0.8
59.04988	1.6
61.02911	0.4
69.03418	10.8
69.42458	0.3
69.42854	0.4
70.06563	0.3
71.04955	0.5
73.02889	0.7
81.03406	5.0
83.01332	0.2
84.08099	0.2
85.02891	5.1
87.04458	5.5
87.05006	0.3
97.02875	14.2
99.04440	1.0
103.03920	0.3
109.02863	4.3
111.04421	0.3
112.18815	0.2
115.03912	100.0
116.04261	1.0
123.04444	0.3
125.02360	0.4
127.03892	6.8
133.04945	16.0
134.05287	0.2
139.03938	0.2
140.01427	0.2
141.06944	0.2
145.04927	2.9
151.03937	0.4
157.04878	0.3
163.06018	0.4
169.04974	0.4
175.05975	0.3
176.09813	0.2
177.05432	0.3
181.04817	0.3
187.05974	0.8
189.09045	0.4
199.05983	0.5
201.09183	0.2
205.04881	0.2
205.07065	0.2
211.05975	0.5
213.98117	0.2
217.07077	0.7
219.10146	1.9
223.05956	1.1
229.07011	0.9
241.07030	3.1
245.27608	0.2
259.08081	14.7
260.08459	0.5
277.09128	21.0
278.09546	0.6
294.29999	0.2
295.09940	0.2
301.09186	0.8
337.09009	0.3
355.10269	0.5
367.10410	0.5
373.11160	1.8
385.11337	0.3
391.12344	0.6
409.13364	0.3
481.13242	0.8
499.14520	1.4
517.15521	1.0
535.16364	0.2
647.84833	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	702.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.5
57.03430	0.6
61.02899	0.7
67.05505	0.5
69.03416	2.0
69.16303	2.4
79.05503	0.6
81.03398	0.9
85.02892	5.8
88.29025	0.4
91.05468	4.9
93.58259	0.5
94.04180	1.0
95.04952	1.4
95.61514	0.5
97.02868	2.0
103.05459	8.3
105.07014	1.4
107.04958	1.5
109.02923	0.5
109.06512	0.6
111.91718	0.5
115.05426	0.8
117.07011	2.3
119.04913	3.7
121.06491	1.8
122.03664	1.8
123.08073	0.7
127.03877	0.9
128.06230	0.8
129.07001	2.3
131.04916	19.1
131.08563	0.7
133.06439	0.8
135.08046	1.6
137.05971	35.5
138.06294	1.6
139.06479	0.7
143.08563	0.6
145.04945	1.2
145.06479	0.8
147.04457	1.1
149.05960	2.6
151.07526	21.1
152.07935	0.7
157.06448	1.8
161.05969	6.3
161.09576	0.9
162.06688	1.3
163.07532	53.2
164.07967	0.8
165.06981	0.5
165.09132	0.8
167.08525	1.6
171.08006	0.7
174.06795	0.9
175.07536	7.4
176.07901	1.0
177.09096	100.0
178.09435	2.1
187.07527	1.0
189.09099	6.3
193.06564	0.6
193.10097	1.2
195.08041	3.8
195.10143	2.8
201.09120	0.6
203.08568	0.5
203.10620	1.1
207.08287	0.6
207.10121	1.8
209.09673	0.8
210.06845	0.6
212.08247	0.6
219.10127	5.2
220.08595	0.7
221.05994	1.4
221.09644	2.0
221.11693	28.0
222.12143	0.7
223.07516	1.6
224.08308	0.7
225.09154	1.3
227.10641	5.0
233.09476	0.6
235.07466	0.7
237.09206	1.1
238.06206	0.7
240.07831	0.6
249.09177	1.0
253.08571	1.4
253.12241	2.8
255.10164	6.0
265.08606	1.4
267.10196	1.2
269.08371	0.7
269.11502	0.8
272.10495	0.7
281.11746	1.5
284.10306	0.7
285.11209	3.6
287.12762	7.9
293.11426	1.1
297.11292	1.2
299.12671	1.6
308.71619	0.5
311.12741	3.0
312.12997	0.6
313.14313	8.4
325.13571	0.9
331.15369	49.0
332.15680	1.8
343.15359	10.6
345.16791	1.2
377.37323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84756	0.4
51.88902	0.4
52.80582	0.4
61.02885	0.4
65.03942	0.4
69.03423	1.3
70.53583	1.0
79.65009	0.5
81.03398	0.7
85.02900	4.0
91.05468	6.2
95.04964	1.9
97.02885	1.4
103.05460	0.7
105.07005	1.2
107.04939	1.5
109.02905	0.4
109.06501	1.9
115.05459	0.6
117.06982	0.4
119.04932	5.2
121.06493	1.7
122.03651	1.3
128.06097	0.7
129.07001	4.1
131.04916	2.1
133.06502	0.6
135.08040	1.1
136.05154	1.1
137.05968	25.6
145.04961	0.8
145.06447	1.1
147.04436	0.8
149.05983	4.8
151.03922	0.8
151.07532	31.7
152.07874	0.9
157.06473	3.8
161.05965	4.5
161.09605	0.7
163.07512	9.5
164.07878	0.5
165.07010	1.7
165.09103	1.7
167.08577	3.1
174.06749	1.9
175.07530	2.5
177.09102	5.1
181.06441	0.4
189.09087	11.8
193.06543	0.9
193.10101	2.1
195.08070	5.7
203.08511	0.6
207.08026	0.5
207.10117	2.5
209.09535	1.4
210.06815	0.8
212.08247	0.9
219.10095	0.6
221.06047	3.3
221.09651	2.5
221.11588	0.9
223.07558	4.2
224.08203	1.1
225.05496	0.5
225.09097	3.0
227.10631	9.9
237.09248	0.5
238.06197	1.2
238.09846	0.7
239.10648	0.6
240.07803	0.7
241.12178	0.7
249.09064	2.2
252.07890	0.7
253.08595	4.8
253.12151	5.0
255.10153	11.3
256.10583	0.5
263.10739	0.5
267.10117	1.7
269.08066	1.6
269.11462	0.6
270.08890	1.0
272.10324	1.2
281.11716	2.1
283.09595	0.5
284.10397	0.7
285.11203	8.2
287.12738	19.0
288.13028	0.7
297.11044	0.7
299.12729	1.7
301.14331	0.6
311.12686	0.9
313.14307	17.6
314.14432	0.7
326.06604	0.5
331.15359	100.0
332.15628	4.2
343.15439	3.5
584.39911	0.5
588.09985	0.5
606.47290	0.6
609.66541	0.5
635.12811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.01867	0.6
57.03426	0.6
61.02916	1.0
69.03409	1.1
69.96592	1.3
79.05472	0.5
81.03397	0.8
85.02891	4.7
91.05460	3.1
94.04171	0.8
95.04963	1.1
97.02874	1.5
103.05451	6.2
104.05853	0.4
105.07019	1.0
107.04950	1.1
109.02882	0.5
109.06499	0.9
111.49858	0.5
115.05456	0.7
116.06164	0.6
117.07017	1.7
119.04919	3.1
121.06470	1.5
122.03616	1.2
123.08011	1.0
127.03895	0.9
128.06210	1.5
129.06975	1.6
131.04915	18.2
133.06458	1.1
135.08031	1.4
136.05179	0.4
137.05962	32.5
138.06290	1.0
140.66284	0.5
143.08548	1.3
145.05070	0.6
145.06462	1.2
147.04364	0.6
147.08018	0.7
149.05997	2.2
151.07526	21.9
157.06477	1.9
159.07990	0.5
161.05945	4.9
162.06711	1.5
163.07523	52.3
164.07928	1.1
165.06956	0.7
165.09116	0.9
167.08568	1.2
171.08031	0.9
174.06723	1.0
175.07524	5.1
176.08133	0.5
177.09088	100.0
178.08012	0.5
178.09366	2.3
181.06474	0.5
189.09055	6.7
193.06487	0.7
193.10100	1.5
195.08203	3.0
195.09962	3.0
203.10550	1.4
207.10008	0.9
209.06085	0.4
209.09695	0.5
219.10109	1.8
221.05949	1.2
221.09741	1.3
221.11702	27.8
223.07600	2.2
225.09134	1.1
227.10620	5.3
237.08974	0.6
240.26532	0.5
241.12038	0.7
249.09119	1.2
253.08582	2.1
253.12233	2.5
255.10162	6.1
265.08542	1.6
265.12250	0.5
267.10175	1.7
269.08194	1.0
272.10342	1.1
281.11713	0.9
284.10364	0.9
285.11166	4.5
287.12732	9.1
293.11652	0.5
297.11166	1.3
299.12793	2.3
311.12656	2.8
313.14316	6.4
314.14621	0.6
325.14343	0.7
328.82114	0.5
331.15363	46.4
332.15701	2.3
343.15353	9.5
345.16873	1.0
473.10852	0.6
602.59863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57741	0.3
51.39561	0.3
55.99165	0.2
57.03432	0.4
59.46202	0.3
61.02917	0.3
62.97077	0.3
69.03413	1.2
69.43135	1.0
75.29785	0.3
81.03393	0.4
85.02888	3.5
89.78654	0.3
91.05472	1.0
97.02913	1.4
103.05479	0.3
103.17977	0.3
105.07015	0.3
110.88229	0.2
115.05455	0.8
117.07044	0.4
117.98223	0.3
127.03863	0.4
128.06186	1.1
129.06990	6.8
130.07718	0.3
131.04907	0.9
131.08556	6.9
137.05969	2.7
141.06982	5.2
143.04919	0.5
143.08583	0.5
144.05675	0.6
145.04961	0.8
145.06459	0.6
146.07243	0.3
151.07497	0.8
157.05472	0.2
157.06470	6.3
158.07288	2.2
159.08028	6.4
160.05147	0.8
161.05981	0.3
161.09601	0.7
163.06012	0.4
163.07407	0.5
169.06456	3.1
169.07707	0.4
170.07280	1.0
171.07948	0.4
173.05905	0.6
174.06752	12.4
174.08273	0.6
175.07513	3.3
186.06743	2.7
187.07472	0.5
188.08284	0.9
189.09081	26.6
190.09377	0.4
191.10641	2.2
201.09077	9.8
202.09515	0.4
203.10628	0.6
207.10178	0.9
219.10138	100.0
220.10501	2.9
237.11147	1.8
331.15384	0.7
381.15356	0.8
394.80420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03401	0.8
66.57866	0.6
69.03416	2.8
70.06578	1.5
71.04984	0.9
71.44617	0.8
73.87726	0.7
78.45764	0.6
79.05470	1.5
81.03403	1.7
81.07040	1.4
85.02889	8.1
91.05463	5.2
93.07040	1.1
94.04179	0.7
95.04947	2.4
95.08572	0.9
97.02874	2.5
97.06516	0.6
99.04443	0.8
103.05447	8.3
105.06999	2.2
107.04950	1.6
107.08568	1.0
109.02837	0.8
115.03886	2.3
115.05415	1.0
117.07024	2.7
119.04942	4.2
121.02841	1.3
121.06500	1.6
122.03626	1.9
127.03902	1.8
128.06229	0.9
129.06993	2.0
131.04910	16.3
132.05280	0.7
133.04997	0.8
133.06479	1.7
135.08055	1.7
136.05138	0.8
137.05960	37.2
138.06194	0.6
138.09169	0.8
145.04912	1.3
145.06468	1.2
145.08598	1.1
147.04495	1.2
149.05983	3.6
151.06329	1.4
151.07521	24.4
157.06445	2.2
161.05975	6.4
162.06725	1.7
163.03906	1.7
163.07518	55.4
164.07866	0.8
165.06923	1.4
165.09102	0.8
167.08524	1.9
174.06758	1.4
175.07533	5.8
177.09082	100.0
178.09412	2.2
179.08374	1.1
181.06325	0.8
189.09050	7.7
193.06459	0.9
193.10178	1.0
195.08034	3.8
195.10132	2.9
201.09195	0.8
203.10568	0.8
206.04434	1.4
207.10080	1.3
209.09612	0.9
212.08232	0.6
219.10120	2.4
221.05925	1.2
221.09715	2.0
221.11696	30.7
222.12108	0.8
223.07486	1.7
225.09042	1.6
227.07053	0.7
227.10643	5.4
233.09662	0.8
235.07387	0.8
237.08974	1.6
240.07668	0.7
241.08665	0.8
245.09161	0.6
249.09076	1.3
252.07738	0.7
253.08530	2.8
253.12146	2.7
254.09120	0.7
255.10132	6.3
267.10126	1.4
269.07867	1.1
281.11731	1.4
285.11215	3.8
287.09692	1.0
287.12720	11.0
293.11688	0.7
296.29251	0.6
297.11218	1.4
299.05505	1.1
299.12729	1.6
301.14029	0.7
311.12891	3.1
313.14301	10.1
313.52322	0.7
314.14294	0.7
325.13931	0.9
331.15326	55.6
332.15671	2.1
343.15387	10.7
344.15375	0.6
345.16940	0.8
467.20035	0.7
473.10101	0.7
505.13104	0.6
644.42267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01862	1.3
55.05496	7.5
57.03429	10.3
59.04989	0.8
61.02906	2.0
65.03943	0.7
67.05497	7.9
69.03419	3.7
69.07050	6.7
69.36923	1.0
69.37230	3.7
71.04983	63.8
73.02908	3.6
75.04469	5.9
79.05485	5.8
81.03409	2.3
81.07040	24.1
83.04971	17.1
83.08609	5.9
85.02892	100.0
85.06527	2.8
86.03220	1.0
87.04453	2.8
91.05466	5.4
93.07027	7.6
95.04946	1.5
95.08591	30.8
96.62499	0.7
97.02882	8.0
97.06507	6.4
97.10167	3.7
99.04441	2.4
99.08086	4.2
101.06005	1.8
103.03939	1.3
105.07014	8.9
107.08588	4.5
109.02856	3.0
109.06484	0.8
109.10128	2.5
111.04430	11.1
111.08087	1.7
113.09666	1.6
115.07582	1.5
117.06972	1.0
119.08562	13.9
121.10136	5.3
123.04455	0.7
123.08070	3.0
127.03883	6.3
129.05453	35.3
131.04945	0.8
133.10114	11.4
135.04486	1.0
135.08122	1.0
135.11673	7.9
137.05957	1.6
137.09592	1.9
137.13228	7.2
141.09081	0.9
142.01358	0.6
145.04945	5.8
147.06500	23.5
153.19814	0.6
155.10690	1.0
161.13231	43.7
162.13589	2.1
163.06007	2.1
163.07463	0.8
167.14249	0.7
175.28076	0.6
177.05382	0.7
177.09052	1.2
179.14281	60.3
180.08644	0.8
180.14551	1.3
197.15335	50.4
198.15768	1.7
215.16386	31.8
216.16756	0.8
237.07581	1.2
249.14787	1.1
255.08566	3.5
273.09631	3.6
285.11145	1.2
307.19022	1.2
309.11734	8.6
316.20081	0.7
322.29562	0.6
325.19904	0.9
329.13794	1.6
331.14563	0.8
343.20761	0.7
526.82343	0.8
701.49133	6.8
702.49536	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	702.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20498	1.7
53.03933	3.0
55.01863	4.9
55.05502	49.4
56.20354	1.7
57.03431	16.5
57.07062	2.5
61.02927	3.3
65.03930	2.4
67.05491	62.0
69.03413	5.5
69.07048	13.9
79.05479	39.7
81.03417	2.0
81.07043	53.3
83.04967	4.6
83.08603	33.7
85.02928	3.9
91.03926	2.0
91.05448	14.3
93.07027	43.0
95.08592	34.1
97.10153	64.9
105.07003	10.5
107.08575	32.7
109.10135	17.7
111.08082	3.0
116.79549	2.2
117.07011	6.4
119.08572	11.6
121.10129	15.5
123.11725	5.8
125.09606	71.6
125.10496	4.0
126.09869	2.3
131.08557	7.6
133.08603	2.9
133.10114	6.2
135.08041	4.6
135.11641	10.9
143.10616	4.1
145.10144	5.2
147.11664	4.8
149.13252	5.6
153.09082	7.1
159.11667	5.2
161.13274	4.8
171.10170	3.2
173.13234	6.0
187.14752	3.1
189.11186	41.8
227.12727	79.3
227.20061	7.3
243.21060	5.9
245.13800	100.0
261.22086	28.1
262.22589	2.1
267.60294	2.2
279.23138	2.2
298.48630	2.0
317.24698	5.0
331.75568	2.0
335.25757	98.3
336.26028	3.9
363.56616	2.1
487.34164	6.6
488.98331	2.0
497.08554	2.1
505.35114	70.2
506.35342	4.8
591.25702	3.3
608.32318	1.9
702.38422	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	702.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.4
55.05252	3.0
55.05502	44.7
57.03427	12.1
57.07062	3.2
61.02906	3.4
67.05492	46.3
69.03406	8.2
69.07066	13.9
71.04987	2.2
71.45461	1.6
73.02926	1.9
79.05034	2.8
79.05481	36.0
81.07041	44.0
83.04952	4.7
83.08604	26.8
85.02919	2.2
85.06522	2.3
87.04436	1.8
91.05473	13.2
93.07032	28.9
95.04939	1.8
95.08593	25.2
95.11504	1.5
97.10158	60.3
105.07032	9.2
105.63355	1.5
107.04960	1.5
107.08578	28.5
109.06487	2.1
109.10158	16.2
111.08048	2.5
117.06995	4.8
119.08581	6.8
121.10109	14.6
122.42467	1.5
123.11673	4.6
125.09613	58.8
129.66304	1.6
131.08557	6.0
133.10083	5.4
135.08028	5.2
135.11676	7.8
138.53369	1.6
143.10631	4.0
145.10077	4.5
147.11684	5.0
149.13254	5.4
153.09106	5.6
159.11693	4.1
161.13260	3.2
163.14784	3.3
171.10103	4.0
172.57867	1.8
173.13264	4.7
189.11194	49.8
189.12819	3.5
222.48096	1.6
227.12744	70.5
238.00090	1.6
243.21121	5.5
245.13797	100.0
246.14241	2.2
261.22107	28.0
275.46753	1.7
279.23196	3.0
317.24619	2.5
330.63608	1.5
335.25751	60.4
336.26074	2.6
340.14133	1.7
353.27014	1.8
403.58990	2.0
431.31021	2.4
487.33939	7.0
505.35089	38.3
523.36377	2.2
702.27905	3.9
702.46185	3.1
703.27307	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.2
57.07070	49.6
64.32291	2.2
67.05476	3.7
69.07053	5.7
69.11941	6.7
69.12350	7.0
71.08264	3.3
71.08627	45.7
71.08989	1.8
73.06538	9.0
83.08594	4.6
85.10162	26.8
86.73152	2.1
87.04478	11.4
89.06020	100.0
93.07024	2.5
97.10153	4.3
98.23450	4.1
99.11713	6.9
107.07063	3.0
111.11688	3.5
113.13275	6.9
117.09133	10.9
125.13245	4.7
127.14796	4.7
130.08646	2.5
131.07053	5.0
133.08586	71.1
145.88405	2.4
161.11607	2.5
174.63487	2.1
175.09608	3.7
176.50223	2.0
177.11197	30.1
184.07301	3.5
209.41830	2.4
219.12227	2.2
221.13791	6.7
227.23723	3.2
238.17244	1.9
271.26248	3.4
283.17215	3.2
290.19662	2.2
315.28918	5.9
405.71317	2.4
528.48071	2.6
614.97498	2.4
685.50342	7.9
702.54266	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	703.199
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43180	0.8
81.07042	0.9
109.10175	1.2
116.98575	1.0
118.05887	0.9
122.03525	0.9
131.04906	1.8
137.05945	3.5
151.03888	1.1
154.08519	0.9
161.05922	1.5
163.03925	1.1
167.07008	1.1
192.69814	0.9
271.05814	1.6
541.29633	2.1
702.36560	3.1
702.49432	26.8
703.19360	100.0
703.48920	6.8
704.19476	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	703.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34672	0.6
67.05492	2.6
69.07056	0.7
71.45158	0.6
79.05456	1.1
81.07048	0.8
91.05466	1.4
93.07018	1.3
102.90837	0.6
105.07035	0.8
107.08563	0.9
109.10120	0.8
113.62770	0.7
121.80041	0.5
183.09152	0.8
185.04193	0.9
195.09138	0.7
197.07152	1.1
197.10703	0.8
203.05264	1.9
209.10707	4.1
210.11647	1.5
211.12320	1.2
221.10609	1.2
222.11501	2.3
223.08640	0.7
223.12299	3.4
224.12979	3.7
225.06522	0.8
225.13884	3.5
229.14471	1.5
235.12294	0.8
236.09430	0.9
236.12999	0.9
237.10255	1.7
237.13802	8.8
238.14626	4.9
239.08167	2.8
239.15404	1.5
251.11778	1.9
253.09634	0.8
253.13277	1.4
259.07904	1.7
263.08105	0.8
263.11792	0.6
265.13223	5.5
266.14056	1.5
267.07651	2.6
267.14761	1.0
269.09113	0.9
281.09399	2.2
285.08759	1.3
297.12372	1.0
299.10312	1.4
309.08734	0.8
325.15387	2.9
326.15952	0.8
341.11221	5.6
347.09393	1.5
365.10608	2.6
406.17831	0.8
407.19257	0.7
421.12903	0.9
433.16776	0.9
434.17728	0.8
435.17892	1.0
449.19995	1.7
477.19556	1.5
478.20047	0.8
479.21414	0.7
491.20786	1.2
506.35724	1.0
507.20419	0.8
509.21997	0.9
523.23340	2.6
541.33374	17.6
551.22729	3.2
565.24194	2.4
566.24756	3.1
575.22955	0.9
592.25964	0.8
593.23694	7.2
594.24432	0.8
611.24915	2.8
621.23065	1.9
625.24316	2.8
635.25195	1.3
639.27704	0.8
653.25922	62.3
654.26141	4.9
679.16760	0.7
685.28680	5.5
703.38586	100.0
704.39227	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	703.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63751	0.4
67.05492	0.7
69.73951	0.4
71.78104	0.5
75.67849	0.4
79.05457	0.7
80.70470	0.4
105.31796	0.5
117.40956	0.5
131.92973	0.5
185.04202	0.8
196.09978	0.6
203.03613	0.5
203.05309	2.2
209.10770	1.1
210.11510	0.6
222.11661	0.4
223.12292	1.1
224.13110	1.1
225.13821	0.8
237.10283	0.6
237.13799	2.2
238.14601	1.4
259.07928	1.0
265.13416	1.3
267.07733	0.7
341.11472	1.4
347.09494	0.7
365.10617	2.7
421.13208	1.5
461.15717	0.6
522.21765	0.5
541.33374	18.0
542.34070	0.6
550.23096	0.5
551.22705	0.7
566.25348	0.9
575.22369	0.6
592.26257	1.1
593.23779	1.8
611.25122	0.7
653.25861	19.3
654.26239	2.0
685.28760	2.0
703.38599	100.0
704.38922	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	703.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47663	0.2
61.47900	0.3
62.48164	0.3
77.87501	0.3
128.71939	0.3
185.04221	0.7
254.07222	0.3
259.07971	0.6
292.94055	0.3
347.09506	1.0
419.94424	0.3
541.33411	21.5
542.33478	1.5
632.87354	0.3
688.25189	0.3
703.38617	100.0
704.38763	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	703.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62973	0.5
73.29285	0.4
93.06948	0.5
185.04185	0.9
196.09920	0.6
203.05293	1.8
209.10774	2.2
222.11435	1.1
223.12407	1.6
225.13852	1.2
237.10382	0.8
237.13791	3.7
238.14647	1.7
239.08105	1.2
250.11098	0.5
253.13448	0.6
255.07434	0.7
259.07968	1.2
265.13385	1.8
267.07730	1.2
281.09213	0.6
299.10294	0.9
305.08163	0.7
313.11899	0.6
341.11411	1.6
347.09555	1.3
365.10458	3.2
421.13068	1.1
523.23523	0.7
533.21796	0.6
541.33380	19.2
542.33954	0.8
551.22943	1.0
565.24121	0.7
593.24017	2.6
611.24945	1.2
625.25214	0.8
653.26001	23.8
653.37109	1.2
654.26630	2.4
685.28430	2.1
703.38580	100.0
704.39032	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	704.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01852	0.8
57.03428	0.5
61.02905	0.7
64.10787	0.3
69.03412	1.3
70.62569	0.6
76.04169	0.2
77.07987	0.3
79.05479	0.9
81.03407	0.8
81.07040	0.6
85.02886	5.1
91.05453	1.4
94.04177	1.8
95.04925	0.7
97.02889	1.6
98.22765	0.3
99.04440	0.3
103.05447	5.0
105.07018	2.9
107.04940	1.1
109.02847	0.7
109.06510	0.7
115.05466	0.5
117.06988	0.6
119.04895	0.3
121.06506	2.5
122.03619	5.7
123.08064	0.6
127.03940	0.8
128.06218	0.8
129.06985	0.4
131.04909	8.2
131.08569	0.5
133.06471	18.5
135.08023	5.5
137.05957	100.0
138.06290	1.5
143.04910	0.6
143.08533	1.2
145.04971	0.9
145.06461	3.8
147.07948	1.5
149.05981	1.5
151.07520	6.4
157.06438	1.5
159.07968	0.5
159.30872	0.3
160.05211	0.5
162.06706	0.3
163.07521	30.7
164.07893	0.5
165.09097	0.5
171.08023	2.3
173.06012	0.3
174.06732	0.9
175.07527	2.7
177.05406	0.3
177.09076	1.1
187.07481	0.8
188.08354	0.6
189.09068	3.9
201.08980	0.5
203.10655	5.3
207.10072	0.4
219.10031	0.3
221.11673	1.2
235.11174	1.1
245.09685	0.6
263.10605	1.9
277.26666	0.3
295.13257	16.6
296.13818	0.4
327.15857	37.5
328.16187	1.4
345.16895	4.8
359.09329	0.3
455.65921	0.3
491.26816	0.3
705.23639	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02255	1.2
55.05515	2.2
57.07072	25.7
69.54028	5.3
71.08625	25.7
71.87981	1.1
73.02888	1.1
73.06542	12.5
79.05567	1.0
80.88334	1.2
83.08612	3.7
85.10170	23.5
87.04460	10.5
89.06020	100.0
99.11735	3.6
107.07093	3.9
109.10115	1.5
117.09113	9.0
131.07024	3.1
133.08589	56.0
141.16350	5.2
161.11743	2.2
166.50955	1.2
175.09625	2.5
177.11188	21.7
185.19037	6.9
221.13835	4.0
226.21700	1.4
229.21635	10.2
265.16418	1.5
273.24222	6.0
283.17542	2.4
467.63797	1.3
526.03766	1.3
575.49725	1.3
687.48407	2.4
704.51044	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	705.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53058	0.5
60.65190	0.4
61.05548	0.5
65.02080	0.5
67.64209	0.4
69.38642	2.0
92.57587	0.4
95.05016	0.4
98.22630	0.5
114.68105	0.5
124.88384	0.5
137.06010	1.3
137.37198	0.5
196.30370	0.4
237.02811	0.6
269.78629	0.4
270.93713	0.5
375.06024	0.6
705.16260	100.0
706.16754	6.7
708.15497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58669	1.1
72.98627	0.3
77.45015	0.3
81.66039	0.3
94.93006	0.8
98.22647	0.6
119.23265	0.2
140.61861	0.3
233.88087	0.3
248.89572	1.6
265.85233	0.3
273.71722	0.3
298.74075	0.3
326.22165	0.3
371.01349	3.6
372.02097	0.3
373.01205	4.5
504.92447	0.3
580.05414	0.3
692.68561	0.3
705.16254	100.0
706.16534	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	705.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03551	0.5
69.03423	0.7
70.06580	1.5
71.44325	0.5
72.08178	0.5
82.15119	0.5
96.25039	0.5
101.83292	0.5
109.10142	0.7
110.14799	0.6
118.06774	0.8
122.03644	0.6
122.78573	0.6
133.06493	0.5
135.07983	0.6
137.05969	6.2
137.09587	1.2
138.06316	1.6
163.07539	1.0
176.07936	0.5
185.04225	0.7
309.09344	0.8
327.15863	1.3
328.16354	0.5
543.18573	3.0
625.81769	0.6
705.23474	100.0
706.23657	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	705.4022
Annotation	Voacamidine
Peak:m/z	Relative Intensity
52.02139	0.2
82.15256	0.3
87.04462	0.4
134.55193	0.2
142.60403	0.3
182.41037	0.3
185.04243	0.7
214.39624	0.3
259.07910	0.5
347.09604	0.9
519.74634	0.2
543.34937	20.0
544.35516	1.1
705.40186	100.0
706.40448	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	706.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
52.57542	0.2
55.05499	0.2
57.25056	0.2
62.76732	0.2
65.03951	0.3
67.01858	0.3
67.05486	0.9
68.99773	0.4
69.03416	0.4
69.07058	0.8
72.64041	0.2
79.05482	0.9
81.07046	2.6
83.01334	1.1
83.04969	0.4
83.08549	0.2
91.05453	1.7
93.07024	2.2
95.04951	0.8
95.08581	1.1
97.06503	0.2
98.83239	0.2
99.80302	0.2
103.05453	0.8
105.07004	0.8
106.04138	0.7
107.08588	0.8
108.02026	0.2
108.23872	0.2
109.06509	0.4
109.10134	2.1
111.23969	0.2
115.05463	0.4
119.04850	0.3
119.08605	0.2
121.06490	5.3
121.10129	0.9
123.11687	1.1
125.09595	0.4
128.06163	0.2
131.04915	3.5
134.03636	1.4
135.08000	0.2
143.04883	0.3
145.06464	0.4
147.04393	1.0
149.02339	0.5
149.05971	2.9
151.50296	0.2
159.04401	1.5
160.05066	0.2
161.02383	0.4
161.06010	0.4
162.03091	11.1
163.03809	0.3
163.07523	0.4
165.05438	0.3
171.04411	0.3
173.05969	0.5
175.07564	0.2
176.04607	0.3
177.05463	2.6
189.05417	0.8
190.02580	18.4
191.03041	0.3
191.06981	0.5
192.04291	0.2
193.04977	1.4
199.03809	0.7
199.07420	0.4
203.07027	0.4
204.07579	0.3
205.04932	100.0
206.05267	3.1
207.06476	1.9
213.05396	0.5
217.04964	0.6
219.06482	9.0
221.04340	0.3
227.07008	0.6
228.04178	0.3
229.04955	0.5
229.08617	0.3
231.06502	0.9
233.04515	0.2
233.08066	3.0
243.06526	0.7
245.08072	1.5
246.07622	0.8
247.09590	3.0
257.08075	1.2
259.09628	1.5
261.11090	0.7
263.09100	0.4
268.92941	0.3
271.09589	0.9
273.11185	2.9
275.12738	0.3
283.09558	0.6
285.11163	3.1
287.12668	0.3
301.10632	0.9
303.12234	0.4
325.14258	0.8
327.15875	3.3
328.16202	0.5
329.17380	3.6
343.15384	2.7
345.16617	0.2
361.16470	0.3
374.55560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.6
55.87939	0.4
67.05488	1.6
68.99780	0.7
69.03384	0.6
69.60135	2.0
71.02510	0.5
79.05486	1.3
81.07040	3.0
83.01337	1.4
83.04969	25.4
83.74499	0.5
91.05472	2.5
93.07031	5.0
95.08598	1.7
95.58028	0.5
103.05439	0.7
105.07010	1.7
107.08578	2.4
109.06500	1.0
109.10145	5.0
115.32784	0.7
117.06956	0.5
119.04955	0.8
121.06466	5.2
123.08026	2.7
123.11656	0.9
131.04936	2.6
133.06488	0.7
134.03650	0.7
135.04419	0.7
135.08037	0.9
135.11684	2.6
147.04399	5.1
149.05981	1.5
151.07570	0.6
155.08606	0.6
159.04384	2.1
159.13554	0.5
161.05931	1.2
162.03102	5.7
163.07555	0.8
164.04497	0.6
165.05443	1.2
167.07021	1.6
173.05902	0.6
175.07547	1.1
177.05399	3.1
179.06943	0.9
182.36551	0.5
185.05983	0.6
187.07484	1.6
189.05490	1.6
190.02582	14.9
191.03386	0.8
191.07022	1.8
192.04152	1.7
193.04977	3.0
197.73827	0.5
199.03870	0.8
203.03406	1.1
203.06999	1.1
205.04930	100.0
206.05270	4.1
207.06494	21.1
207.09918	0.8
208.06746	0.6
209.09735	0.9
211.07448	0.8
213.05460	1.6
215.10753	0.5
217.04805	1.2
217.08646	0.9
219.06500	10.8
221.04422	0.7
225.09077	0.6
227.07028	0.6
229.04968	1.5
231.06505	2.2
233.07915	3.0
235.05988	1.2
243.06467	5.2
245.08113	6.6
247.05959	1.3
247.09622	2.3
257.08112	1.1
259.09641	2.2
261.10986	0.7
271.09567	12.3
273.11182	3.3
283.09604	1.2
285.11157	4.0
285.14264	1.0
287.12622	0.9
297.11078	3.4
299.12723	6.4
309.11301	1.2
325.10883	0.8
325.14197	2.9
327.12140	6.8
327.15833	9.1
329.17328	1.2
339.15927	0.7
343.11490	1.3
343.15350	3.1
345.16901	1.0
381.16852	2.0
433.16449	1.0
451.17322	1.9
491.20255	0.6
515.20392	1.0
517.69720	0.5
533.21619	8.3
573.24628	1.4
599.26520	1.5
655.32239	3.8
671.31299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
55.05490	0.4
67.05501	1.7
68.99770	0.9
69.07059	1.0
69.50005	0.3
69.72257	1.1
79.05477	1.2
81.07043	3.1
83.01332	1.3
83.04977	0.5
91.05473	1.7
93.07035	2.1
95.04942	0.5
95.08583	1.7
103.05445	0.9
105.07018	1.1
106.04151	0.4
107.05001	0.3
107.08575	0.7
109.10140	5.3
115.05434	0.3
119.04916	0.4
119.08560	0.5
121.06493	5.2
121.10098	1.7
123.11678	2.0
131.04901	2.7
134.03615	1.1
135.11665	0.5
145.06479	0.3
147.04364	1.3
149.02240	0.5
149.05969	2.9
159.04364	1.5
161.05978	0.7
162.03098	9.1
163.07489	0.4
164.04774	0.3
165.05334	0.4
171.04434	0.4
173.05898	0.4
177.05461	2.2
179.03278	0.4
189.05379	1.5
190.02574	16.6
191.03027	0.3
191.06985	0.8
191.11150	0.4
192.04144	0.5
193.04941	1.7
199.03807	0.9
203.07031	0.6
205.04929	100.0
206.05275	2.3
207.06519	3.9
213.05370	0.4
217.04883	0.8
217.08691	0.3
219.06485	9.9
220.06879	0.4
227.07039	0.4
229.04965	0.6
229.08598	0.3
231.06364	1.4
233.07997	3.3
243.06474	0.7
245.08046	1.3
246.07634	0.7
247.09622	4.5
257.07935	0.5
259.09686	1.8
261.11111	2.1
269.07996	0.4
271.09589	3.4
273.11209	2.2
283.09485	1.6
285.11139	4.1
301.10785	1.8
313.14059	0.6
325.14383	1.4
327.15851	10.4
328.16129	0.6
329.17404	5.4
338.97079	0.3
343.15244	0.7
364.85947	0.3
463.06110	0.3
531.20154	0.7
533.21210	0.5
655.32117	1.0
665.21722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05938	0.6
62.69758	0.5
63.82982	0.5
69.70212	2.2
115.03899	0.8
142.10442	0.7
149.12035	0.5
155.03198	1.0
159.64706	0.5
173.03049	0.7
227.27423	0.6
298.59451	0.6
299.07294	2.5
317.07346	1.1
385.11160	1.4
421.59622	0.5
431.11560	15.2
431.16956	0.9
431.23416	0.5
432.12540	0.7
473.13232	0.8
529.15698	0.7
575.15698	6.8
593.16071	2.4
707.19904	100.0
708.20288	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90582	0.4
69.03419	0.5
72.08142	0.7
89.10862	0.6
116.67910	0.5
163.03870	0.9
185.04332	0.9
193.04897	0.6
221.06018	0.7
235.05988	0.8
295.06006	1.3
309.09509	0.5
323.05444	2.4
347.07776	1.1
348.08041	0.7
467.84332	0.5
545.19861	5.5
707.25104	100.0
708.25421	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	707.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26281	0.4
70.06575	0.7
71.41793	0.3
72.08173	0.4
75.49631	0.3
84.08179	0.5
85.53938	0.3
115.33812	0.4
120.08083	0.5
129.10216	0.4
185.04231	0.4
217.90237	0.4
341.54236	0.4
361.02231	2.0
502.55042	0.4
515.18958	1.5
515.25940	0.4
527.18665	1.0
545.19849	12.3
545.27802	0.6
546.19867	0.7
568.49072	0.4
707.25128	100.0
708.25513	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	707.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01850	0.8
55.05502	3.4
56.77724	0.6
57.03418	2.8
61.02918	7.1
65.03891	0.6
67.05490	8.8
69.03416	4.5
69.07042	1.9
71.04987	1.2
73.02914	4.3
73.76823	0.6
79.05475	6.7
81.03409	4.0
81.07035	8.2
83.08599	2.4
85.02901	5.5
87.04451	1.0
87.65264	0.6
91.03942	4.4
91.05469	5.3
93.07024	8.1
95.04927	2.2
95.08590	5.5
97.02877	6.0
97.10155	2.3
98.22704	1.5
98.97649	0.8
99.04451	0.9
101.02355	2.1
105.07011	3.7
107.08590	3.7
109.02869	1.5
109.06507	1.0
109.10107	3.6
115.03928	0.7
117.06980	1.1
118.83947	0.6
119.08551	2.7
119.86398	0.7
121.10103	3.7
123.11667	1.2
125.09591	2.0
127.03913	1.4
129.06969	1.1
130.92079	0.6
131.04898	0.7
131.08531	2.5
133.10124	1.9
135.08006	0.8
135.11670	2.0
145.10144	1.0
147.11659	1.6
149.09581	1.0
149.13303	1.0
157.10101	0.7
157.66991	0.6
159.11652	0.9
161.13292	0.9
163.03882	1.9
173.02304	1.5
185.04225	1.2
187.03867	0.9
189.11188	1.6
199.03828	0.9
211.09422	1.9
213.05388	0.9
243.08324	1.6
262.97336	0.6
267.13675	1.3
285.14755	0.7
335.25705	2.0
355.15268	3.1
374.46393	0.6
429.17270	5.1
454.26013	0.7
519.29218	8.5
541.31848	0.6
615.36676	0.9
633.37817	1.5
679.41949	0.8
689.40210	1.9
706.56842	0.7
707.29474	39.2
707.39246	100.0
708.28589	3.1
708.39697	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	707.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28835	0.8
67.05521	1.1
69.10023	2.2
69.10435	3.6
77.95551	0.9
87.04456	1.9
93.07048	1.2
105.07052	1.4
131.17993	0.9
301.23486	1.0
435.32040	1.0
667.68762	1.1
707.37573	100.0
708.37860	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	707.376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94118	1.0
60.82576	1.0
65.89862	1.0
69.80248	3.2
73.91808	1.0
81.07048	1.0
87.04482	2.1
91.05428	1.1
98.23526	1.0
110.75632	0.9
314.94223	1.0
343.28372	1.1
346.86548	0.9
365.51724	1.0
429.14920	1.0
707.37561	100.0
708.37939	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	707.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44556	0.3
53.03934	0.4
54.12236	0.3
55.01858	0.6
55.05498	2.7
55.17270	0.3
57.03423	2.0
61.02916	5.0
62.80729	0.4
66.82906	0.3
67.05493	4.9
69.03420	2.6
69.07059	1.2
69.24708	2.0
71.04964	0.5
73.02899	3.0
77.31097	0.3
79.05472	3.9
81.03394	2.4
81.07047	4.5
82.21689	0.4
83.08606	1.8
85.02896	3.7
91.03956	2.9
91.05460	3.0
93.07041	4.3
95.04980	0.9
95.08588	3.6
97.02885	3.5
97.10155	3.1
99.04453	0.7
101.02377	1.3
103.03976	0.5
105.07042	1.7
107.08556	2.1
109.02887	0.9
109.06518	0.5
109.10169	1.3
115.03980	0.8
117.06990	0.6
119.08570	1.2
121.10149	1.7
125.09618	3.1
127.03918	1.2
131.08601	0.7
133.10117	0.5
134.22545	0.3
135.08012	0.6
135.11729	0.8
145.10091	0.7
146.67093	0.4
147.11739	0.9
155.46370	0.3
159.04381	0.5
163.03926	0.8
173.89359	0.4
175.07631	0.3
176.61244	0.4
185.04282	0.5
187.03995	1.0
189.11179	2.3
203.05251	0.6
205.77852	0.4
211.09489	1.5
243.08382	1.4
247.10530	0.4
335.26001	0.8
337.14627	0.5
355.15417	0.7
429.17188	8.6
519.29266	4.5
675.24176	0.4
689.41827	0.5
707.39648	100.0
708.39954	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	707.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81990	0.8
53.03949	0.9
55.05510	2.2
57.03434	2.4
58.86233	0.8
61.02928	5.5
66.90807	0.8
67.05499	6.2
69.03429	3.2
69.07054	1.6
69.58486	3.9
73.02917	3.5
79.05466	5.2
81.03432	3.0
81.07041	4.6
82.67036	0.9
83.08640	1.6
85.02892	5.3
88.81097	0.8
91.03976	3.0
91.05495	3.1
93.07040	5.6
95.04945	1.2
95.08611	3.5
95.65061	0.9
97.02905	4.0
97.10179	1.6
97.57542	1.0
98.23423	1.3
105.04508	0.9
105.07019	1.3
107.08602	3.0
109.10149	2.1
119.08597	2.2
121.10158	1.9
126.55458	0.9
127.03967	1.3
135.11691	1.3
147.11716	1.0
163.03989	1.8
211.09483	1.7
257.06253	1.0
355.15625	1.4
360.29739	0.9
429.18060	3.5
439.55988	1.0
519.29169	7.6
621.27075	1.2
707.39337	100.0
708.40045	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	708.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01863	0.3
55.05505	0.4
57.03416	0.4
61.02920	0.4
65.21037	0.1
67.05492	0.9
69.03419	2.2
69.72171	0.3
69.72522	0.4
71.04978	36.2
72.05311	0.2
73.02896	0.5
81.03403	2.8
85.02397	0.3
85.02889	3.7
85.06525	6.1
86.62531	0.2
89.03906	0.4
91.03950	0.2
95.04964	1.2
97.02870	3.9
99.04450	0.9
103.07553	0.6
108.04448	0.4
109.02861	2.9
113.05983	5.4
117.03362	1.6
127.03888	3.1
127.07529	18.8
128.07863	0.4
131.07010	8.9
132.62933	0.2
134.03564	0.2
137.05934	0.4
141.05463	0.4
145.02818	4.0
145.04936	1.7
145.08566	100.0
146.08888	1.1
149.05956	0.4
155.06979	0.9
160.22639	0.2
162.07645	0.4
173.08084	2.6
177.05435	10.4
178.05833	0.4
179.06921	0.2
180.08656	0.5
185.08046	0.8
187.06012	0.4
191.09103	12.6
195.06482	0.5
233.10236	0.2
245.10204	0.2
257.10172	1.2
271.05838	0.3
275.11224	0.9
285.07422	0.2
299.11215	1.2
317.12231	3.0
335.13269	5.8
336.13626	0.2
394.06473	0.2
509.13980	0.2
511.17844	0.5
545.33319	0.2
610.09705	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	708.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.8
55.81138	1.9
57.03426	4.1
57.07072	2.9
61.02916	22.0
67.05495	33.4
69.03423	2.6
69.07061	5.6
69.25980	10.1
71.05009	1.9
73.02898	7.0
79.05487	21.0
81.03421	3.0
81.07044	33.6
83.08616	4.2
85.02893	27.8
91.03938	20.7
91.05458	8.5
93.07030	28.2
95.04928	3.0
95.08595	34.0
97.02884	13.5
97.10175	2.7
97.69493	2.0
105.07018	9.5
107.08582	18.7
109.10133	20.0
117.06989	4.1
119.08560	10.0
121.10130	22.2
123.11684	12.2
127.03868	10.4
131.08553	13.9
133.10114	9.9
135.11673	23.0
137.13205	5.4
139.11166	2.6
145.04945	13.6
145.10083	7.0
147.11659	5.7
149.13228	14.6
158.96770	1.9
159.10455	2.0
159.11610	10.5
161.13206	9.8
163.05978	16.4
163.14796	14.6
165.12871	3.0
170.46651	2.6
173.13121	10.5
175.14815	3.0
177.16341	4.8
179.14264	3.1
187.14775	7.8
201.16351	2.1
205.15756	2.6
215.17911	2.3
233.22620	3.6
234.38731	1.9
243.21063	34.3
261.22089	100.0
262.22449	4.2
263.23657	2.6
279.23242	2.3
299.70514	2.1
309.61224	2.0
309.65475	2.0
335.25696	16.3
353.26810	55.0
354.27200	3.0
418.72409	2.1
557.16272	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	708.416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48510	1.2
53.03942	1.6
53.28569	1.3
55.01872	1.7
55.05511	9.6
57.03431	5.1
57.07065	4.9
57.31375	1.4
58.94711	1.1
61.02916	29.6
65.03938	1.6
66.14054	1.4
67.05495	46.5
69.03417	6.2
69.07063	7.3
71.05000	3.1
71.05413	1.7
73.02898	8.7
79.05482	28.0
81.03422	1.5
81.07046	56.6
83.08612	5.4
85.02898	36.0
85.06539	2.1
91.03951	25.6
91.05457	15.9
93.07030	35.7
93.07600	2.4
95.04956	3.7
95.08594	47.0
97.02877	20.7
97.06524	3.0
97.10147	2.6
99.08112	1.8
99.59432	1.2
105.07012	15.0
107.08575	27.3
109.10137	29.0
110.06033	1.7
115.03921	2.8
117.06992	6.3
119.08546	12.4
121.10118	27.9
123.08118	1.4
123.11693	16.2
124.60623	1.5
125.09556	1.5
127.03902	11.1
131.08542	15.2
133.10094	11.7
135.11676	22.8
135.12659	2.0
137.09608	3.0
137.13257	5.1
139.11186	1.6
145.04944	13.6
145.10091	13.0
147.11671	10.1
149.13246	18.0
159.11690	10.8
161.13261	8.3
163.05984	16.2
163.14781	13.5
165.12779	1.8
165.16429	1.2
173.13239	11.8
175.14819	2.7
177.12694	1.7
177.16389	5.4
179.14276	3.9
187.14748	6.5
191.14255	2.0
194.10298	2.1
201.16367	2.3
205.15891	2.3
212.37968	1.5
214.68120	1.4
224.47137	1.4
233.22751	1.9
243.21046	33.2
243.50572	1.2
261.10324	1.3
261.22098	100.0
262.22394	1.8
263.23611	1.2
279.23166	4.6
283.95193	1.4
296.69894	1.3
320.73950	1.3
335.25751	27.0
353.26828	47.8
353.31110	3.0
354.27234	2.8
396.40930	1.4
438.42581	1.3
497.30975	2.1
653.42163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
57.07067	70.4
59.04993	1.0
69.03410	1.3
69.07055	1.5
69.31364	1.4
69.31763	3.2
71.46645	0.6
73.02906	1.2
73.06538	3.1
77.03912	0.8
79.05489	1.0
83.04977	1.0
87.04457	23.6
87.08708	0.8
89.06018	100.0
91.05452	8.0
93.07020	5.6
95.04945	3.6
103.05449	2.7
105.04491	1.5
105.07019	2.2
107.04921	1.6
107.07062	3.9
107.08578	2.6
109.06456	0.9
113.13256	1.4
115.05402	0.9
117.07025	1.8
117.09131	1.7
118.07764	6.2
119.04919	5.0
119.08546	4.9
121.06489	26.4
121.10097	1.0
130.08627	1.9
131.07030	8.5
131.08577	1.2
133.08585	61.1
135.07988	3.7
135.10194	1.2
135.11673	2.0
147.08029	10.8
149.09624	4.3
149.13277	0.8
150.06711	4.3
159.11723	2.1
163.11203	2.8
165.09109	7.5
167.10710	2.3
173.09488	1.5
175.09671	6.1
177.11220	26.7
177.12691	2.2
191.10652	3.2
193.10641	1.0
193.12260	1.1
205.04977	4.7
206.05312	1.7
209.11751	4.0
211.13329	2.4
217.16925	0.7
219.12201	2.1
221.13780	4.1
233.18945	21.3
235.13332	2.7
253.14285	0.9
255.15909	2.7
259.20557	3.2
259.75641	0.8
275.23691	1.6
277.21585	30.1
278.22168	1.2
279.15787	1.4
283.17499	1.8
291.54443	0.8
297.17035	1.1
299.18460	1.5
303.23138	3.1
321.24161	7.9
327.20078	1.0
342.13611	0.9
353.21725	1.7
360.22916	0.9
381.12915	1.1
579.33521	3.1
603.40027	0.7
691.45966	8.4
708.29388	1.2
708.48792	9.0
709.28833	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	709.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71637	2.7
69.72018	2.9
87.04468	2.5
205.04951	1.3
290.91092	1.3
304.29999	1.2
381.10892	15.9
515.43079	1.6
523.89893	1.4
709.27661	100.0
710.27930	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	710.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02385	0.3
53.03930	0.7
55.01864	0.4
55.05508	0.4
55.81911	0.3
57.03429	0.4
60.72215	0.3
61.02901	0.3
64.92007	0.2
65.03927	0.4
66.04698	0.5
67.05488	1.0
69.03422	2.3
71.04983	31.0
72.05326	0.2
73.02900	0.4
79.05489	1.5
81.03404	3.4
81.07033	1.0
83.04975	0.4
85.02898	2.3
85.06535	5.7
88.96660	0.2
91.05463	3.8
92.33705	0.2
93.07034	1.2
94.04184	2.3
95.04951	2.6
97.02874	3.0
99.04429	0.6
103.05460	2.5
103.07498	0.3
105.04509	0.3
105.07012	6.4
107.04939	1.0
107.08601	0.2
108.04447	1.3
109.02872	2.7
109.06507	1.2
111.08082	0.3
113.05180	0.3
113.05985	6.3
115.03963	0.3
115.05450	2.7
115.10202	0.2
117.07008	2.4
118.04183	0.4
119.04932	0.9
119.08593	1.5
121.06493	1.8
122.03625	5.9
123.08018	0.3
127.03893	2.0
127.07534	16.3
128.06168	0.6
129.07002	1.8
130.04115	0.4
131.04938	2.0
131.07019	5.6
132.05698	1.5
133.06474	4.9
137.05957	100.0
138.06274	2.0
138.08492	0.2
141.05426	0.6
141.07005	0.4
143.04897	0.7
143.06009	0.6
144.05664	0.7
145.04912	1.0
145.06525	3.1
145.08574	75.7
146.03633	0.5
146.08910	1.0
147.04420	2.1
147.08014	2.6
149.05951	4.3
151.03867	0.3
151.07474	0.8
153.05452	0.3
155.04872	1.0
155.05923	0.3
155.07014	0.8
156.05705	0.7
157.06471	0.7
159.04445	0.3
159.08035	2.6
160.05190	1.5
161.05957	17.2
162.06737	2.0
163.07536	2.1
167.07031	0.6
171.08075	0.5
172.05145	1.0
173.05974	1.3
173.08086	1.1
174.06757	0.3
175.07520	23.9
176.07849	0.8
177.09077	0.9
179.06975	1.0
179.08417	0.4
181.06575	0.3
184.05182	0.5
185.08122	0.5
187.06006	0.6
187.07503	9.4
188.07925	0.3
189.06995	0.6
189.09122	0.6
190.07742	2.1
191.08545	6.5
192.09201	0.3
193.08557	3.7
193.10159	0.4
199.07501	4.3
200.07921	0.3
202.07753	1.3
203.07037	0.3
203.08569	2.4
205.06787	0.4
205.08560	2.0
205.10223	0.3
207.08028	0.8
208.08823	1.0
210.06664	0.3
217.06668	0.3
217.08530	1.3
218.07178	1.2
219.08003	11.3
220.08717	1.8
221.09624	0.4
229.07518	0.2
231.08029	2.9
232.08797	0.8
233.05991	0.4
233.09624	0.7
235.07449	0.9
236.08281	2.1
237.08994	0.7
239.06842	0.3
239.09096	0.2
246.06590	0.4
247.07507	5.0
248.08258	2.0
249.05467	0.3
249.08945	0.5
251.10638	16.8
252.11023	0.5
253.08582	0.7
257.10135	1.6
259.07513	2.3
260.08215	1.1
261.09058	1.1
262.09869	0.3
263.07321	0.4
263.10635	1.9
264.07895	1.5
265.08624	0.9
267.15707	0.3
269.11740	0.4
275.11237	1.8
276.07727	0.8
277.08517	1.4
279.10107	13.2
280.10815	1.4
281.08032	0.9
283.09561	0.3
283.13126	0.4
291.10120	5.2
292.10837	1.1
293.08063	0.3
293.11465	0.5
295.09766	0.5
295.13190	0.6
296.10397	1.5
297.11301	0.4
299.11206	1.1
303.10175	0.4
308.10297	0.7
309.11197	1.0
311.12723	34.9
312.12997	1.4
315.09912	0.3
317.12213	1.7
321.11075	0.7
323.12735	10.4
324.13074	0.3
325.14334	0.4
329.13846	1.8
335.12897	1.6
341.13821	5.5
353.13629	1.2
365.13641	0.9
377.13593	0.6
389.13660	0.4
401.13632	1.2
419.14801	1.4
437.15878	0.5
449.16269	0.3
455.16602	0.4
591.21576	0.3
609.22900	0.8
627.24542	0.4
710.38373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
57.03427	0.3
59.64251	0.2
67.05488	0.6
67.92197	0.2
69.03419	1.7
70.87215	0.2
71.04980	33.5
72.05319	0.3
72.50095	0.2
73.02909	0.3
79.05461	0.2
80.04994	0.3
81.03404	2.8
85.02898	1.9
85.06527	5.1
91.05453	0.3
94.04189	0.3
95.04948	1.3
97.02872	3.2
99.04459	0.9
103.05452	0.3
103.07558	0.6
108.04459	0.7
109.02146	0.3
109.02860	2.8
109.06504	0.2
111.04417	0.3
113.05985	5.5
114.73985	0.2
115.05426	1.0
117.06998	0.3
122.03629	0.8
125.06019	0.2
127.03898	2.8
127.07534	16.3
128.06223	0.3
128.07895	0.3
129.06992	0.9
131.04953	0.4
131.07021	7.8
131.08025	0.4
134.74593	0.2
137.05952	14.1
138.06268	0.3
141.05423	0.5
143.04900	1.7
144.05615	0.2
145.04919	1.3
145.08571	100.0
146.08932	1.5
146.36684	0.2
151.03893	0.3
153.05486	0.4
155.07036	0.8
157.06363	0.9
160.05168	2.6
161.05943	0.4
163.07487	0.3
172.05203	0.5
173.05908	0.2
173.08058	1.9
175.07521	14.4
176.07907	0.2
185.08063	0.5
187.05983	0.6
187.07497	5.4
188.07947	0.2
189.09093	1.4
191.09113	6.5
205.08559	2.4
211.07451	0.3
217.08545	0.8
219.08044	0.2
219.09979	0.2
231.08040	0.4
235.09604	2.7
239.07004	0.3
245.10106	0.3
248.08241	0.3
251.10417	0.2
255.06381	0.3
257.10199	1.8
257.59753	0.2
263.10529	0.3
270.08835	0.3
271.09579	0.8
275.11179	0.7
279.10080	0.4
291.10129	1.3
299.11197	1.3
311.12750	0.7
317.12238	1.9
323.12735	1.1
325.14267	0.4
335.13336	1.7
341.13733	2.0
710.39764	0.6
717.88062	0.2
722.25781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02385	0.3
53.03930	0.7
55.01864	0.4
55.05508	0.4
55.81911	0.3
57.03429	0.4
60.72215	0.3
61.02901	0.3
64.92007	0.2
65.03927	0.4
66.04698	0.5
67.05488	1.0
69.03422	2.3
71.04983	31.0
72.05326	0.2
73.02900	0.4
79.05489	1.5
81.03404	3.4
81.07033	1.0
83.04975	0.4
85.02898	2.3
85.06535	5.7
88.96660	0.2
91.05463	3.8
92.33705	0.2
93.07034	1.2
94.04184	2.3
95.04951	2.6
97.02874	3.0
99.04429	0.6
103.05460	2.5
103.07498	0.3
105.04509	0.3
105.07012	6.4
107.04939	1.0
107.08601	0.2
108.04447	1.3
109.02872	2.7
109.06507	1.2
111.08082	0.3
113.05180	0.3
113.05985	6.3
115.03963	0.3
115.05450	2.7
115.10202	0.2
117.07008	2.4
118.04183	0.4
119.04932	0.9
119.08593	1.5
121.06493	1.8
122.03625	5.9
123.08018	0.3
127.03893	2.0
127.07534	16.3
128.06168	0.6
129.07002	1.8
130.04115	0.4
131.04938	2.0
131.07019	5.6
132.05698	1.5
133.06474	4.9
137.05957	100.0
138.06274	2.0
138.08492	0.2
141.05426	0.6
141.07005	0.4
143.04897	0.7
143.06009	0.6
144.05664	0.7
145.04912	1.0
145.06525	3.1
145.08574	75.7
146.03633	0.5
146.08910	1.0
147.04420	2.1
147.08014	2.6
149.05951	4.3
151.03867	0.3
151.07474	0.8
153.05452	0.3
155.04872	1.0
155.05923	0.3
155.07014	0.8
156.05705	0.7
157.06471	0.7
159.04445	0.3
159.08035	2.6
160.05190	1.5
161.05957	17.2
162.06737	2.0
163.07536	2.1
167.07031	0.6
171.08075	0.5
172.05145	1.0
173.05974	1.3
173.08086	1.1
174.06757	0.3
175.07520	23.9
176.07849	0.8
177.09077	0.9
179.06975	1.0
179.08417	0.4
181.06575	0.3
184.05182	0.5
185.08122	0.5
187.06006	0.6
187.07503	9.4
188.07925	0.3
189.06995	0.6
189.09122	0.6
190.07742	2.1
191.08545	6.5
192.09201	0.3
193.08557	3.7
193.10159	0.4
199.07501	4.3
200.07921	0.3
202.07753	1.3
203.07037	0.3
203.08569	2.4
205.06787	0.4
205.08560	2.0
205.10223	0.3
207.08028	0.8
208.08823	1.0
210.06664	0.3
217.06668	0.3
217.08530	1.3
218.07178	1.2
219.08003	11.3
220.08717	1.8
221.09624	0.4
229.07518	0.2
231.08029	2.9
232.08797	0.8
233.05991	0.4
233.09624	0.7
235.07449	0.9
236.08281	2.1
237.08994	0.7
239.06842	0.3
239.09096	0.2
246.06590	0.4
247.07507	5.0
248.08258	2.0
249.05467	0.3
249.08945	0.5
251.10638	16.8
252.11023	0.5
253.08582	0.7
257.10135	1.6
259.07513	2.3
260.08215	1.1
261.09058	1.1
262.09869	0.3
263.07321	0.4
263.10635	1.9
264.07895	1.5
265.08624	0.9
267.15707	0.3
269.11740	0.4
275.11237	1.8
276.07727	0.8
277.08517	1.4
279.10107	13.2
280.10815	1.4
281.08032	0.9
283.09561	0.3
283.13126	0.4
291.10120	5.2
292.10837	1.1
293.08063	0.3
293.11465	0.5
295.09766	0.5
295.13190	0.6
296.10397	1.5
297.11301	0.4
299.11206	1.1
303.10175	0.4
308.10297	0.7
309.11197	1.0
311.12723	34.9
312.12997	1.4
315.09912	0.3
317.12213	1.7
321.11075	0.7
323.12735	10.4
324.13074	0.3
325.14334	0.4
329.13846	1.8
335.12897	1.6
341.13821	5.5
353.13629	1.2
365.13641	0.9
377.13593	0.6
389.13660	0.4
401.13632	1.2
419.14801	1.4
437.15878	0.5
449.16269	0.3
455.16602	0.4
591.21576	0.3
609.22900	0.8
627.24542	0.4
710.38373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	1.1
79.05475	1.1
81.07053	1.0
83.83070	0.6
91.05486	0.8
94.78507	0.7
101.14252	0.8
105.07057	0.8
106.69140	0.7
111.27338	0.8
114.64574	0.7
176.57294	0.6
178.48410	0.7
192.24667	0.8
213.91316	0.8
386.15530	0.8
399.16309	0.8
400.16943	1.4
401.17645	1.5
413.17596	2.9
414.18335	1.7
415.19064	6.9
427.19193	3.0
428.19699	0.9
429.20746	10.2
430.21677	3.9
441.21545	1.6
442.21790	1.5
443.22522	3.3
444.23407	3.9
445.19885	1.0
456.18842	0.8
457.24799	5.5
458.24579	2.1
459.20947	3.5
472.22382	2.7
484.18521	0.9
485.23605	13.5
486.20718	2.9
487.25836	1.3
489.22464	1.6
500.22110	1.9
503.24362	1.8
513.22821	2.8
515.24396	11.9
531.23834	29.8
532.24133	2.1
541.22034	1.8
559.23242	11.8
560.23633	1.1
591.25897	100.0
592.26141	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	710.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54070	4.0
52.64030	3.2
55.05496	12.9
57.07074	5.5
61.02925	24.9
67.05205	4.3
67.05499	46.0
69.07047	14.0
79.05480	15.3
81.07053	54.3
83.08596	9.4
85.02890	34.0
91.03947	23.9
91.05466	12.7
93.07022	14.5
93.28618	3.6
95.08593	47.2
97.02880	15.5
97.10154	11.3
105.07003	9.0
107.08570	7.7
107.39820	3.5
109.10149	24.4
113.53734	3.6
119.08571	10.6
120.92904	4.7
121.10133	14.2
123.11671	13.6
127.03896	7.7
133.10083	8.4
135.11667	9.0
145.04909	10.2
147.11620	7.7
149.13232	6.1
161.13185	9.0
163.05989	14.8
163.14836	7.8
165.16356	8.2
175.14755	11.2
179.17941	10.4
245.22586	68.3
257.29330	4.0
263.23672	100.0
337.27304	50.1
355.28281	11.7
398.26913	4.3
414.73636	4.9
584.06091	4.5
655.47400	4.4
710.26880	5.0
736.86377	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	711.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82622	0.6
53.03936	1.6
55.01849	2.5
57.03418	1.7
65.03934	3.3
67.05489	0.9
69.03417	4.8
69.93946	1.8
73.02911	0.8
77.03905	1.4
78.04684	3.7
79.05482	11.2
81.03394	4.1
81.07050	1.1
85.02892	6.2
89.03898	1.2
91.05466	15.5
93.06999	1.4
94.04193	1.0
95.04954	4.5
97.02874	3.1
98.22787	0.9
99.04408	0.7
102.04659	0.7
103.05458	6.6
104.06226	1.2
105.03391	1.2
105.04509	1.5
105.07014	12.8
106.04173	2.3
107.04931	15.5
109.02873	1.8
110.03645	1.2
111.04426	2.6
115.05430	7.2
117.06976	4.2
118.04128	2.4
119.04926	9.7
119.08547	5.5
121.06475	3.1
122.03618	3.1
123.04398	7.0
124.05213	4.4
125.05949	2.0
127.03909	2.6
128.06183	5.5
129.06999	6.8
131.04909	7.8
131.08470	0.7
132.05699	5.0
133.02832	0.8
133.06459	10.7
135.04387	2.2
137.05954	32.0
139.03947	0.8
139.07510	0.7
141.06947	2.8
143.04883	1.2
143.06030	1.4
143.08498	0.7
144.05713	1.5
145.06488	3.9
146.03618	0.9
147.04381	12.5
147.08008	8.2
148.05132	0.8
149.05981	4.4
150.03073	0.8
150.44524	0.6
151.03885	1.5
151.07532	4.4
152.04688	2.7
153.05406	5.6
153.06595	0.7
153.06989	0.6
155.04883	1.4
155.06012	1.4
156.05643	1.3
157.06477	3.8
158.07205	1.0
159.04366	1.5
159.07994	5.8
160.05177	6.8
161.05946	14.4
161.09615	0.9
162.65561	0.7
163.03854	0.7
163.07494	6.6
165.05515	1.0
165.06857	1.0
165.66127	0.6
167.07013	100.0
168.05728	0.8
168.07405	2.6
169.06500	4.7
171.04329	1.2
171.08000	1.4
172.05148	1.6
173.05931	0.6
174.06714	2.1
175.07515	69.9
176.04631	1.9
176.07854	2.2
177.05513	3.8
177.09117	1.3
178.07672	0.8
179.07005	7.8
179.08435	1.0
180.07709	0.8
181.04964	0.7
181.06537	0.9
181.08565	2.1
184.05170	2.9
185.05969	1.4
186.06772	1.7
187.07504	13.8
189.06993	1.7
189.09077	3.7
190.07800	2.2
191.06989	13.3
191.08533	1.9
192.07616	1.0
193.08566	36.4
194.07263	0.7
194.08849	0.7
197.06085	0.9
199.07491	13.2
201.09036	4.8
202.07756	1.9
203.06949	1.0
203.08531	4.5
204.03902	0.6
204.09338	0.8
205.06549	1.1
205.08432	0.9
205.10143	0.8
206.07205	1.4
207.06335	0.7
207.08025	2.0
209.08107	1.5
211.07564	0.7
213.09126	0.6
215.06847	1.2
215.08569	3.5
217.06589	1.2
217.08606	2.6
218.07201	5.1
219.08023	4.2
219.09938	1.1
220.08672	1.5
221.06010	0.9
221.09515	1.8
222.06746	0.9
223.07469	0.9
229.06454	1.2
229.08514	1.8
230.07265	0.8
231.08011	4.4
232.08775	2.5
233.05974	1.0
233.09669	5.1
234.06657	2.1
234.10428	0.8
235.07527	4.2
236.08252	1.3
237.09100	0.7
239.07100	0.7
243.07973	1.4
244.08556	0.8
245.06026	1.6
246.06822	3.2
247.05286	0.6
247.07509	3.8
248.08244	2.3
249.09137	4.8
250.06134	1.0
250.09793	1.6
251.06969	1.8
251.10654	2.0
255.10196	0.8
257.05911	1.2
259.07364	3.1
260.08151	3.6
261.09085	7.7
262.06183	0.9
262.10004	0.9
263.06970	3.7
263.10602	1.2
264.07684	3.3
265.08597	3.7
265.12042	0.6
266.09201	0.8
267.10233	1.1
273.05350	1.1
273.08984	2.5
274.06207	1.5
275.06998	2.7
276.07803	3.6
277.08496	5.3
278.09302	2.8
279.06726	0.9
279.10062	3.1
280.07346	0.7
281.11652	2.6
288.07605	1.0
289.08539	9.4
290.06329	0.7
290.09201	3.7
291.06409	1.8
291.10098	4.3
292.07367	1.2
293.08084	2.0
293.11713	2.3
294.08826	1.3
295.09674	2.2
295.12955	0.7
297.11212	0.9
301.08405	1.0
303.06537	0.7
303.09830	1.0
304.07248	2.4
305.08008	3.0
306.08737	3.8
307.09549	6.4
308.10178	1.3
309.11139	3.7
311.09442	1.0
311.12662	4.4
315.12421	1.1
319.09610	10.7
320.10333	2.5
321.07553	0.6
321.11160	15.6
322.11856	2.3
323.12640	2.3
324.09851	1.0
325.10583	1.8
325.14359	1.1
326.11252	1.0
327.12265	2.1
335.12869	1.2
337.10623	1.9
337.14255	0.9
338.11258	1.7
339.12234	11.6
340.12927	4.5
341.13797	10.2
345.11142	1.2
347.12524	1.1
351.12201	15.9
352.12906	5.9
353.13788	18.4
355.15344	9.3
365.13858	1.1
369.13177	1.7
370.13727	0.6
489.18512	0.8
501.18759	0.9
513.18536	0.9
519.20056	1.2
531.20178	1.5
549.20697	1.2
711.26428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62879	0.9
67.88281	0.8
71.42599	0.8
80.12993	0.9
89.45990	0.8
104.10748	1.7
109.10128	0.8
200.54984	0.7
297.07349	2.1
355.38104	0.9
367.15131	1.9
383.14523	9.5
416.15485	0.9
711.29462	100.0
712.29846	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	711.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42833	0.8
53.21325	0.9
57.07069	1.2
60.45173	0.9
69.09304	5.0
71.16388	0.8
83.25220	0.8
85.02430	0.9
89.06021	2.0
95.60012	0.9
130.61095	0.9
145.27489	0.8
217.11761	0.9
365.68277	1.0
383.12903	6.6
420.92493	1.1
615.48010	1.0
620.10193	1.0
624.26111	1.0
649.99731	1.0
693.29742	1.9
711.29266	100.0
712.29456	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	711.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05185	0.8
51.63540	0.8
69.86523	2.2
72.49988	0.9
78.44072	0.8
88.40672	0.8
98.22737	1.7
107.18665	0.9
199.98642	1.0
205.04839	1.0
241.22597	0.9
263.85751	0.9
293.39642	1.0
351.11945	1.0
367.13327	1.7
383.12521	48.6
384.12863	3.2
679.28668	1.1
711.29346	100.0
712.29712	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	711.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38683	0.6
61.70545	0.6
70.68206	0.9
73.31731	0.5
117.77937	0.6
128.05310	0.6
178.93315	0.7
208.02452	0.6
281.56760	0.7
349.14297	2.7
367.15137	100.0
368.15564	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	711.315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25861	1.4
62.72406	1.4
64.49464	1.4
67.05510	1.3
69.60267	4.1
81.07082	1.5
110.84020	1.4
111.63160	1.5
122.95335	1.6
127.25272	1.6
188.06331	1.5
227.03281	2.8
228.03883	7.0
229.04778	2.3
281.07980	2.1
283.09412	4.7
297.07355	4.6
299.08957	2.4
307.09384	4.8
311.08972	3.3
325.10422	16.7
337.10550	4.8
349.14325	4.3
351.11954	97.0
351.15674	11.3
352.12341	3.4
365.13519	23.1
366.14465	5.0
367.15112	100.0
368.15613	3.5
369.16843	2.1
383.14163	13.4
385.16205	2.9
559.15247	2.0
609.21002	4.3
627.21863	11.9
628.22247	2.3
653.26703	1.9
665.27325	6.7
679.28510	27.3
680.28943	3.1
684.04535	1.5
693.30621	8.4
694.30560	2.1
711.30359	64.6
712.30688	3.6
732.44391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.05482	0.4
57.03430	0.3
63.44288	0.2
65.03934	0.2
67.05495	3.8
68.99804	0.2
69.03413	1.7
69.07049	0.2
70.06580	0.2
70.25335	0.3
70.25659	0.2
71.04991	0.5
77.03883	0.2
79.05474	0.6
81.02954	0.3
81.03406	4.6
81.07046	1.8
85.02450	0.2
85.02895	1.2
91.05482	0.3
92.16365	0.2
93.07025	0.8
95.04951	0.9
95.08591	1.4
97.02847	1.0
98.40791	0.2
99.04418	0.8
105.07040	0.2
107.08563	0.7
109.02862	3.1
109.06483	0.6
109.10141	8.9
119.08542	0.6
121.10107	0.4
125.06020	0.3
127.03907	2.5
132.04434	5.2
133.06465	0.2
135.08028	0.2
137.05977	0.4
137.09595	18.7
138.09909	0.3
145.08551	0.2
149.05968	0.2
155.10655	0.9
160.03815	0.4
163.03860	0.3
165.09091	12.8
166.09560	0.2
178.04965	47.4
179.05368	1.0
183.10135	1.1
201.11182	1.2
206.04454	100.0
207.04778	2.1
209.64679	0.2
232.44974	0.2
291.12225	0.4
309.13272	1.4
327.14297	3.4
345.15219	0.2
369.15292	0.2
435.16641	0.2
453.17450	0.5
471.18646	0.5
532.18146	1.4
533.19373	0.2
550.19092	10.8
551.19153	0.5
592.19879	0.4
658.21161	0.5
675.76111	0.2
676.21844	0.7
694.23285	0.9
712.24170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.6
67.05474	1.3
69.03413	2.6
70.94847	1.0
71.04980	37.3
81.03408	2.9
85.02876	3.1
85.06525	7.0
91.05464	6.3
95.04958	3.9
97.02888	3.8
103.05438	1.4
105.03349	0.8
105.07011	1.2
107.04934	1.4
108.04456	1.5
109.02850	2.7
109.06487	1.5
111.04429	0.7
113.05972	6.7
115.03902	0.9
115.05433	1.0
119.04929	3.8
121.06480	1.5
122.03624	1.8
127.03904	2.5
127.07539	21.2
129.06961	3.2
131.04932	3.3
131.07019	8.5
135.08025	1.1
136.05209	1.1
137.05954	34.0
141.05418	0.7
143.22542	0.6
145.04907	2.1
145.08571	100.0
146.08926	1.7
149.05981	3.7
151.07515	28.2
152.07895	0.8
155.07033	1.0
157.06415	3.3
161.05962	5.1
163.07510	10.7
165.07024	1.0
165.09045	0.9
167.08591	2.7
173.08060	2.7
174.06721	1.9
175.07483	3.7
177.09077	9.2
178.07736	0.9
185.08134	1.0
189.09061	10.5
191.09108	8.0
193.06381	1.6
193.10153	1.4
195.08040	7.9
195.09961	1.4
197.09604	0.7
207.10100	1.0
209.09654	1.1
210.06609	1.4
212.08337	1.0
219.10025	0.8
221.05983	2.3
221.09616	2.7
221.11601	1.4
223.07545	2.7
225.09073	2.1
227.07018	0.9
227.10660	9.6
238.06114	0.8
240.07988	0.7
244.69479	0.7
245.09879	0.7
249.09053	2.0
253.08661	4.2
253.12181	3.9
255.10114	8.9
257.10138	2.1
265.08557	1.0
267.10056	1.6
269.07990	1.2
275.11218	1.0
279.10110	0.8
281.11707	1.9
285.11130	6.7
287.12729	16.7
288.13062	1.2
297.11151	0.9
299.13077	3.3
301.14288	0.8
305.12216	3.7
311.12814	2.4
313.14282	13.1
317.12283	2.1
331.15338	55.7
332.15613	1.7
335.13309	3.7
341.13797	1.7
343.15375	9.0
355.15329	2.6
367.15298	1.2
379.15164	1.2
385.16379	1.5
397.16333	2.7
403.15216	1.3
421.16327	7.1
439.17349	1.9
629.25946	1.1
647.27142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21220	0.4
53.03927	0.6
56.91380	0.3
57.03440	0.4
67.05473	1.4
69.03416	2.6
69.51660	1.6
71.04981	38.9
73.02876	0.4
81.03407	3.0
81.11256	0.3
84.70169	0.4
85.02892	2.4
85.06526	6.5
91.05476	0.7
94.02154	0.4
95.04954	1.4
97.02879	2.4
97.03449	0.4
98.22765	0.7
99.04435	0.9
108.04417	0.4
109.02864	3.0
113.05975	6.2
115.05429	0.7
127.03871	4.2
127.07530	19.1
128.06186	0.7
129.06982	3.0
131.04897	1.1
131.07019	9.9
131.08504	2.8
137.05968	4.0
141.05441	0.7
141.06985	3.3
145.04875	1.3
145.08569	100.0
146.07228	0.4
146.08905	1.8
151.03847	0.4
151.07553	1.1
155.07008	1.2
157.06456	3.2
158.07233	1.1
159.08000	2.9
161.09567	0.8
163.07472	0.8
169.06458	1.5
170.07272	0.8
171.07974	0.4
173.08054	1.4
173.09380	0.4
174.06740	6.6
175.07484	1.7
177.09131	0.6
186.06715	1.5
187.05916	0.7
187.07480	0.8
189.09068	12.1
191.09117	7.1
191.10646	1.0
201.09058	4.5
203.10629	1.9
215.25098	0.4
219.10124	37.4
220.10562	1.0
257.10193	1.1
271.05960	0.4
275.11169	0.7
299.11185	1.4
317.12198	2.5
325.14291	1.0
335.13245	2.7
341.13989	0.8
711.41711	1.3
712.42126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51160	0.6
53.03939	1.0
55.05503	0.8
57.03423	0.8
65.55247	0.7
66.90833	0.7
67.05483	1.3
69.03420	3.3
69.28854	2.8
70.42120	0.5
71.04985	46.7
79.05474	0.9
81.03419	3.5
85.02883	2.4
85.06539	9.4
91.05479	7.1
94.04208	0.8
95.04964	3.5
97.02887	5.3
103.05453	1.7
103.07529	0.8
105.07001	1.3
107.04968	1.4
108.04477	1.5
109.02883	3.2
109.06524	1.5
113.05992	7.9
115.03945	1.0
115.05525	0.7
117.07005	1.4
119.04946	5.2
121.06478	1.5
122.03631	2.2
123.08022	0.7
127.03917	3.2
127.07545	19.7
127.39621	0.6
129.06984	2.5
131.04948	4.2
131.07016	9.8
133.06493	0.9
135.08012	1.4
136.05170	1.0
137.05965	33.9
141.05420	0.9
143.04918	1.0
145.08582	100.0
146.08890	2.0
147.04379	1.0
149.05998	4.2
151.03894	1.5
151.07526	30.2
155.07077	1.2
157.06471	3.8
161.05952	5.9
161.09560	1.4
163.07536	10.0
165.06926	1.6
165.09062	0.9
167.08585	3.3
169.06419	0.8
169.71127	0.7
173.08087	1.9
174.06718	1.6
175.07533	5.6
177.09096	9.5
178.07654	0.9
179.08476	0.8
181.06435	1.0
187.05937	0.9
187.07530	0.8
189.09058	10.6
191.09131	8.6
191.10728	1.0
192.09470	0.7
193.06493	1.3
193.10135	1.5
195.08066	7.9
195.09891	1.5
196.08797	0.8
197.06116	0.9
199.11192	0.7
207.10133	1.5
209.09618	0.8
210.06718	1.3
211.07509	1.0
212.08363	1.5
219.10121	1.4
221.05920	2.3
221.09578	2.6
221.11720	2.0
223.07526	3.2
223.42545	0.6
225.09023	2.4
227.10638	11.5
227.12752	1.0
234.06732	0.8
235.07484	1.2
237.09166	1.1
239.07104	1.4
239.10605	0.8
249.09058	1.7
249.11368	0.7
253.08572	4.3
253.12228	3.7
254.09026	0.9
255.10149	9.4
257.10168	2.7
265.08630	0.8
267.10190	1.7
269.08084	1.2
272.10501	0.9
281.11816	1.9
285.11179	6.9
287.12778	14.1
288.13107	0.9
297.11163	1.3
299.12631	2.4
305.12189	4.1
311.12692	2.4
313.14273	11.6
317.12067	2.3
331.15356	46.0
332.15530	1.3
335.13205	3.8
341.13870	1.7
343.15408	9.0
353.13678	1.1
355.15268	1.6
367.15445	1.4
379.15240	1.4
385.16400	0.8
397.16388	1.7
403.15463	1.6
421.16333	5.4
439.17593	3.1
457.18292	1.7
611.24316	1.1
647.26349	1.6
696.98517	0.8
712.26770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01861	2.0
55.05250	1.2
55.05500	13.8
57.03422	10.3
57.07060	1.3
64.95895	0.7
65.03919	2.0
67.05495	40.7
67.40199	0.8
69.03416	1.8
69.07056	9.1
71.04991	2.4
73.02923	1.2
75.22674	0.8
79.05479	42.1
81.03421	1.9
81.07041	36.4
82.07385	1.0
83.04966	2.7
83.08614	9.1
85.02906	1.8
85.06518	1.8
91.05459	16.5
93.07027	57.1
95.04959	9.6
95.08590	43.1
96.08861	0.8
97.02883	3.1
97.06519	3.0
97.10143	1.8
99.04448	2.7
99.08056	1.5
105.04493	2.2
105.07013	13.2
107.04929	6.9
107.08576	29.7
109.06490	2.3
109.10136	11.1
111.08088	1.7
113.09621	0.9
117.07001	8.5
119.08558	11.3
121.06486	3.6
121.10124	22.8
123.08036	0.9
123.11694	2.2
125.05997	1.7
125.09633	1.2
129.06979	0.9
130.07716	1.1
131.08522	4.6
133.10118	7.7
133.93982	0.8
135.08008	2.8
135.11670	41.6
136.11984	1.8
139.07545	1.4
143.08505	0.8
144.08110	1.1
145.10091	23.4
147.11717	3.8
149.13240	3.8
152.27251	1.0
159.11699	3.5
161.13110	1.0
163.11150	45.9
173.13239	2.5
181.12201	7.9
189.04997	0.8
209.11714	1.2
215.17900	7.5
216.18300	0.9
227.12721	56.7
228.13042	2.0
233.18990	8.0
252.73190	0.7
280.58981	1.0
282.56116	0.8
283.15347	54.0
284.15796	1.5
307.22614	100.0
308.23004	4.7
335.25717	0.9
427.49164	0.8
515.33575	72.8
516.34039	5.0
712.43335	3.0
713.30768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01864	14.9
55.05503	17.8
57.03438	16.4
57.07071	4.1
65.03922	2.3
67.05496	64.1
69.07065	19.5
69.89676	4.2
71.01350	3.0
71.04978	7.9
73.02910	2.7
79.05482	50.9
81.07045	49.8
83.04972	26.8
83.08611	10.3
85.02877	4.4
85.06536	3.6
91.05466	25.8
93.07031	78.7
95.04950	8.4
95.08585	45.4
97.06506	15.9
97.10163	5.0
97.12553	2.1
98.23382	2.9
105.07018	12.3
107.04936	3.8
107.08575	40.6
108.47231	2.3
109.10137	20.8
110.19241	1.9
111.08052	7.0
117.06990	4.0
119.08583	10.9
121.10114	19.9
123.11696	6.0
125.09695	3.3
131.08572	8.6
133.10077	10.1
135.11670	62.2
137.09625	2.1
137.13210	3.2
145.10100	10.9
147.11674	5.5
149.13298	4.4
153.12727	15.4
159.11696	5.5
163.11203	8.7
163.14787	4.5
173.13263	2.7
181.12198	19.5
187.14792	3.2
189.11139	5.1
199.13248	3.2
227.12746	5.6
243.20946	3.3
253.14301	2.7
255.15869	100.0
261.22113	11.7
291.22946	3.1
335.25735	83.4
336.25754	2.6
398.06409	2.8
515.37256	75.7
516.37341	2.8
533.38190	5.2
556.79901	2.4
693.40369	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	712.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01864	14.6
55.05503	28.0
57.03427	19.2
67.05500	75.4
69.07062	20.7
69.25420	23.3
79.05479	49.4
81.07048	62.6
83.04971	17.3
83.08623	9.2
84.98756	3.9
91.05484	23.2
93.07043	79.7
95.04952	5.6
95.08595	48.5
97.06524	11.8
97.10163	6.7
105.07037	14.5
107.04942	3.9
107.08584	46.3
109.10143	15.4
111.08051	5.0
114.41774	3.9
117.07056	4.8
119.08577	11.7
121.10143	18.1
125.09607	4.7
128.70432	4.3
131.08575	10.5
133.10155	8.9
135.11664	45.6
136.79204	4.1
145.10080	9.1
149.13266	5.4
153.12755	18.8
163.11174	5.6
181.12228	15.0
229.14798	4.8
255.13371	8.7
255.15866	74.9
261.22137	10.5
317.24789	5.9
335.25699	85.9
377.21344	4.1
384.33304	5.3
405.31537	4.7
470.27872	4.3
515.37323	100.0
516.37506	11.2
616.65210	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	713.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79134	0.3
69.79458	0.4
81.28862	0.2
86.09632	0.3
98.85165	0.2
125.02082	1.3
126.02819	0.3
137.05968	0.9
153.05167	0.9
161.05893	0.3
168.07535	0.2
169.04660	1.1
177.05339	0.4
213.07286	5.2
216.03871	0.2
217.04698	1.5
217.06433	0.3
227.05222	0.4
243.57788	0.2
245.04225	0.2
248.35126	0.2
248.52939	0.2
255.08485	0.9
271.05783	0.2
271.09604	0.2
285.09366	0.7
289.06784	0.5
297.09244	1.4
311.10797	0.2
315.10519	0.5
341.11957	0.7
347.07306	0.3
357.11490	13.9
358.11926	0.6
361.08810	0.4
379.09836	1.3
396.64337	0.2
421.05914	0.3
421.10803	1.5
491.15155	5.3
492.15628	0.4
533.15753	0.3
551.17242	100.0
552.17560	5.0
713.22437	28.4
714.22955	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02362	0.5
70.48180	0.3
71.42860	0.4
78.04714	0.6
79.05488	0.8
89.03900	10.6
90.50076	0.4
91.05474	1.7
93.06979	0.4
95.04933	1.0
103.05459	5.5
105.06998	2.3
105.50766	0.3
106.04166	0.6
107.04926	1.5
115.05441	1.5
117.03357	28.4
117.06992	0.5
118.25304	0.3
119.04894	0.4
122.03645	0.6
124.05167	0.4
124.29054	0.3
129.07040	0.5
131.04910	10.5
133.06462	2.0
134.03633	2.1
135.04402	2.4
137.05972	6.6
145.02824	63.7
146.03268	1.4
147.04387	0.7
149.05960	10.1
151.03842	0.5
151.07492	0.3
157.62869	0.3
160.05168	0.5
161.05952	5.5
161.09621	0.4
162.06740	0.8
163.03906	1.2
163.07529	3.3
174.06679	0.5
175.07524	1.9
177.05440	100.0
178.05783	2.1
186.05472	1.3
187.07524	0.8
189.05460	5.8
189.09073	1.1
190.07693	0.4
193.08563	0.4
194.07301	0.8
201.05476	0.6
201.09021	1.0
203.07025	0.4
205.04922	1.0
205.06618	0.5
207.06253	0.4
219.10132	1.2
222.06657	0.3
231.06355	0.4
233.09656	0.4
236.08311	0.4
247.05927	2.9
262.96802	0.3
265.08487	1.2
279.06546	0.7
283.09613	0.4
293.11676	1.0
295.09589	0.5
297.11209	1.1
309.11047	0.6
311.09131	2.4
311.12173	0.4
313.14359	0.7
314.23108	0.3
315.12268	0.5
325.10831	0.4
325.14063	2.0
343.15558	1.7
353.09946	0.8
353.13684	0.4
395.14908	0.6
407.14685	0.5
568.37592	0.3
589.20129	1.0
695.59174	0.4
713.29572	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	713.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14789	0.8
58.70208	0.7
69.49577	3.6
85.02857	1.1
94.37648	0.8
107.08568	1.1
127.07175	0.8
141.21246	0.8
141.93451	0.7
202.59235	0.8
331.09927	0.8
347.09268	1.3
389.22934	2.8
551.28174	21.7
552.28345	1.1
678.28156	0.8
713.33374	100.0
714.33563	6.4
721.07916	0.9
727.93506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58604	1.0
68.02893	1.1
69.67405	2.9
69.67792	2.4
75.16802	1.2
77.79303	1.2
98.22719	1.6
130.68866	1.2
137.05977	1.2
152.52953	1.2
195.68195	1.3
259.07773	1.6
278.37329	1.4
365.10425	3.0
389.22690	3.0
551.28156	19.2
713.33423	100.0
714.33600	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	713.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	1.0
69.17258	1.7
69.17667	3.1
126.17496	0.7
185.04198	1.0
203.05223	2.0
232.81207	0.7
240.95215	0.8
259.07745	2.0
268.06717	0.8
298.82446	1.0
315.19168	1.5
365.10608	3.0
386.08698	0.9
389.22968	6.0
421.13135	2.2
451.36609	0.8
469.20572	0.9
551.28162	23.4
552.28693	2.2
713.33331	100.0
714.33521	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	713.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04575	0.7
79.51065	0.8
104.61520	0.8
110.61465	0.7
120.93091	0.6
137.05946	1.9
193.44302	0.7
282.66849	0.7
345.26730	0.8
347.09451	2.0
389.22961	2.7
551.28174	21.8
552.28760	2.7
642.72369	0.8
713.33405	100.0
714.33807	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	714.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
57.03432	0.9
60.90820	0.7
60.98969	0.6
61.02908	1.2
67.05493	1.1
69.03432	4.6
69.07072	0.5
71.04980	1.0
73.02899	0.7
81.03410	1.4
81.04617	0.7
81.07056	1.4
83.08670	0.6
85.02879	5.2
87.04449	0.9
91.05497	1.4
93.07044	2.2
94.06576	3.5
95.07361	1.1
95.08606	0.9
96.08119	1.9
97.02887	1.9
103.05460	1.0
105.07021	1.5
107.07315	1.2
108.08097	7.3
109.02898	1.1
109.10105	0.8
110.09668	3.8
113.73729	0.6
115.03952	0.8
119.08554	1.1
120.04449	2.2
120.08092	5.7
121.02845	2.1
121.06406	0.7
122.06019	4.1
122.09663	3.5
124.07562	0.7
127.03965	1.4
136.07559	9.1
137.05943	3.1
137.08322	0.8
138.09119	7.6
145.06573	0.7
146.06039	1.6
148.07541	4.0
150.09135	4.8
152.07060	2.2
152.10655	0.8
161.09679	0.7
162.05482	0.7
162.09171	1.1
163.03882	1.2
163.07584	0.8
164.07095	1.8
166.08598	15.4
172.03998	2.4
177.05405	0.6
180.10172	1.7
182.11815	0.7
190.05016	1.4
194.08153	2.3
196.09686	0.9
197.10757	0.9
198.11429	0.9
199.12187	0.6
204.06596	2.9
209.10815	1.6
211.08813	1.0
212.09529	0.9
213.10185	1.1
223.08647	0.8
223.12283	1.5
224.09413	0.7
225.10254	4.4
227.11790	1.6
233.10625	0.9
235.08611	1.0
236.09312	1.8
237.10233	9.5
238.10982	2.1
239.08183	1.3
239.11754	3.8
241.09659	1.5
241.13312	1.0
248.09370	1.7
249.10202	5.8
250.11034	2.3
251.08203	2.8
251.11766	6.9
252.08824	1.2
252.12558	1.4
253.09711	5.4
253.13448	0.9
254.10503	1.6
255.11310	2.9
261.10172	3.3
262.10995	1.6
263.08002	0.7
263.11859	4.1
265.09717	11.8
265.12952	0.9
266.10510	2.8
267.11243	4.3
268.11899	0.8
269.09314	0.7
269.12845	1.1
271.06018	2.8
271.10825	2.6
272.06131	0.9
277.09741	1.7
278.10440	4.3
279.07687	3.1
279.11319	12.6
279.14096	0.9
280.08444	0.9
280.11978	2.7
280.72757	0.6
281.09213	3.3
281.12842	1.7
282.10001	1.2
283.10825	6.0
284.11551	0.8
285.12430	1.4
287.14026	2.7
289.09662	6.9
290.10266	1.0
291.11099	3.1
292.08594	1.0
292.11688	1.0
293.09253	4.9
293.12915	4.9
294.09924	3.6
295.10794	3.7
295.14005	0.9
296.11630	2.0
297.12189	4.0
298.09665	0.8
299.10324	1.5
299.13873	1.1
306.09885	1.0
307.10764	3.5
308.11514	1.9
309.09082	1.2
309.12112	4.0
311.10291	6.0
311.13919	2.5
312.10995	2.9
313.11942	2.5
314.12582	2.1
317.09204	1.0
321.12317	1.0
323.10242	1.0
323.13736	1.5
324.11121	2.5
325.11694	5.3
326.12573	3.5
327.13354	9.6
329.14896	0.8
330.15671	1.0
335.10162	10.4
335.13794	0.9
337.11804	2.0
339.13345	44.0
340.10504	2.3
340.13934	1.8
341.11380	1.5
352.10556	1.4
353.11301	5.4
354.12064	2.8
355.12827	12.5
357.14417	1.7
367.12814	19.6
368.13455	1.3
369.14374	1.1
371.12323	2.0
371.16129	1.6
372.12799	1.2
385.13971	1.5
386.14859	2.1
387.15421	3.4
388.16470	0.8
390.17953	0.9
399.15396	6.9
418.17523	1.0
442.17661	0.9
460.18433	3.1
461.19479	0.9
464.22211	1.0
474.20105	1.5
478.19580	1.1
479.20441	1.5
488.18210	4.9
492.21289	1.5
502.19547	1.3
506.18839	4.5
520.20715	9.9
552.23340	32.5
553.23779	2.9
640.79181	0.7
650.23108	1.6
656.81439	0.7
682.25854	9.8
683.25903	1.5
714.28516	100.0
715.28784	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	714.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
57.03432	0.9
60.90820	0.7
60.98969	0.6
61.02908	1.2
67.05493	1.1
69.03432	4.6
69.07072	0.5
71.04980	1.0
73.02899	0.7
81.03410	1.4
81.04617	0.7
81.07056	1.4
83.08670	0.6
85.02879	5.2
87.04449	0.9
91.05497	1.4
93.07044	2.2
94.06576	3.5
95.07361	1.1
95.08606	0.9
96.08119	1.9
97.02887	1.9
103.05460	1.0
105.07021	1.5
107.07315	1.2
108.08097	7.3
109.02898	1.1
109.10105	0.8
110.09668	3.8
113.73729	0.6
115.03952	0.8
119.08554	1.1
120.04449	2.2
120.08092	5.7
121.02845	2.1
121.06406	0.7
122.06019	4.1
122.09663	3.5
124.07562	0.7
127.03965	1.4
136.07559	9.1
137.05943	3.1
137.08322	0.8
138.09119	7.6
145.06573	0.7
146.06039	1.6
148.07541	4.0
150.09135	4.8
152.07060	2.2
152.10655	0.8
161.09679	0.7
162.05482	0.7
162.09171	1.1
163.03882	1.2
163.07584	0.8
164.07095	1.8
166.08598	15.4
172.03998	2.4
177.05405	0.6
180.10172	1.7
182.11815	0.7
190.05016	1.4
194.08153	2.3
196.09686	0.9
197.10757	0.9
198.11429	0.9
199.12187	0.6
204.06596	2.9
209.10815	1.6
211.08813	1.0
212.09529	0.9
213.10185	1.1
223.08647	0.8
223.12283	1.5
224.09413	0.7
225.10254	4.4
227.11790	1.6
233.10625	0.9
235.08611	1.0
236.09312	1.8
237.10233	9.5
238.10982	2.1
239.08183	1.3
239.11754	3.8
241.09659	1.5
241.13312	1.0
248.09370	1.7
249.10202	5.8
250.11034	2.3
251.08203	2.8
251.11766	6.9
252.08824	1.2
252.12558	1.4
253.09711	5.4
253.13448	0.9
254.10503	1.6
255.11310	2.9
261.10172	3.3
262.10995	1.6
263.08002	0.7
263.11859	4.1
265.09717	11.8
265.12952	0.9
266.10510	2.8
267.11243	4.3
268.11899	0.8
269.09314	0.7
269.12845	1.1
271.06018	2.8
271.10825	2.6
272.06131	0.9
277.09741	1.7
278.10440	4.3
279.07687	3.1
279.11319	12.6
279.14096	0.9
280.08444	0.9
280.11978	2.7
280.72757	0.6
281.09213	3.3
281.12842	1.7
282.10001	1.2
283.10825	6.0
284.11551	0.8
285.12430	1.4
287.14026	2.7
289.09662	6.9
290.10266	1.0
291.11099	3.1
292.08594	1.0
292.11688	1.0
293.09253	4.9
293.12915	4.9
294.09924	3.6
295.10794	3.7
295.14005	0.9
296.11630	2.0
297.12189	4.0
298.09665	0.8
299.10324	1.5
299.13873	1.1
306.09885	1.0
307.10764	3.5
308.11514	1.9
309.09082	1.2
309.12112	4.0
311.10291	6.0
311.13919	2.5
312.10995	2.9
313.11942	2.5
314.12582	2.1
317.09204	1.0
321.12317	1.0
323.10242	1.0
323.13736	1.5
324.11121	2.5
325.11694	5.3
326.12573	3.5
327.13354	9.6
329.14896	0.8
330.15671	1.0
335.10162	10.4
335.13794	0.9
337.11804	2.0
339.13345	44.0
340.10504	2.3
340.13934	1.8
341.11380	1.5
352.10556	1.4
353.11301	5.4
354.12064	2.8
355.12827	12.5
357.14417	1.7
367.12814	19.6
368.13455	1.3
369.14374	1.1
371.12323	2.0
371.16129	1.6
372.12799	1.2
385.13971	1.5
386.14859	2.1
387.15421	3.4
388.16470	0.8
390.17953	0.9
399.15396	6.9
418.17523	1.0
442.17661	0.9
460.18433	3.1
461.19479	0.9
464.22211	1.0
474.20105	1.5
478.19580	1.1
479.20441	1.5
488.18210	4.9
492.21289	1.5
502.19547	1.3
506.18839	4.5
520.20715	9.9
552.23340	32.5
553.23779	2.9
640.79181	0.7
650.23108	1.6
656.81439	0.7
682.25854	9.8
683.25903	1.5
714.28516	100.0
715.28784	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	714.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50329	0.6
57.03449	0.6
61.02920	2.0
69.03420	5.2
70.05746	1.2
70.06078	1.6
71.04990	1.4
79.05493	1.9
81.03419	2.5
82.06586	0.7
85.02895	5.8
85.10391	0.7
90.08248	0.7
91.05473	1.1
93.07033	1.7
94.06559	4.3
95.07343	1.2
95.08627	0.8
96.08129	3.2
97.02864	3.7
97.06487	0.8
98.22765	0.9
99.04416	0.9
103.05480	0.9
105.07006	1.3
107.07318	1.8
108.04471	0.8
108.08099	8.2
109.02849	1.4
109.10179	1.1
110.09687	5.6
118.06576	0.7
120.04488	3.0
120.08091	6.2
121.02893	0.7
122.06036	7.3
122.09673	3.7
124.07562	0.8
127.03905	2.0
133.06497	1.0
134.06033	0.8
136.07559	9.9
137.05983	3.8
137.09589	1.0
138.05501	1.3
138.09109	8.9
145.08540	1.3
146.06053	2.0
148.07544	6.2
150.09119	5.9
152.07069	1.5
163.07469	0.9
164.07069	1.6
165.09143	0.9
166.08598	20.0
172.03976	1.2
182.08110	0.7
184.09990	1.2
190.04996	1.1
194.08182	2.0
197.10783	1.1
198.11584	1.0
209.10722	2.1
210.11435	1.2
212.09453	0.7
213.10300	1.5
218.08202	0.7
221.10771	0.8
223.08723	1.2
223.12315	1.4
224.09274	1.3
225.10229	5.6
226.10942	1.0
227.11830	1.7
233.10806	2.1
235.08620	3.4
235.12115	1.0
236.09457	2.8
237.10172	11.8
238.11026	2.0
239.08173	1.4
239.11748	4.5
241.09691	0.9
248.09428	2.8
249.10231	9.7
250.10902	4.4
251.08044	3.5
251.11780	9.2
252.08948	1.4
252.12575	2.0
253.09663	7.0
254.10385	1.0
255.11224	4.8
261.10187	7.0
262.11026	1.4
263.08447	1.6
263.11823	8.7
264.09009	1.1
264.12582	1.4
265.09695	16.8
265.13107	1.5
266.10529	2.9
266.13968	0.7
267.11237	10.4
268.12177	0.8
271.10873	2.2
273.12411	1.0
274.07373	0.7
276.64761	0.8
277.09689	4.6
278.06747	1.0
278.10510	6.4
279.07721	2.8
279.11203	18.1
280.08710	0.8
280.11795	3.2
281.09570	3.6
281.12851	3.1
282.10010	1.7
283.10742	8.3
284.11224	1.1
285.12436	1.2
287.13736	0.8
289.09683	14.8
290.10342	2.0
291.08023	1.1
291.11136	5.4
293.09238	8.1
293.12875	5.8
294.09921	4.4
294.13235	0.8
295.10690	5.2
296.11484	3.0
297.12439	2.5
298.09641	1.1
298.13052	1.3
299.10233	2.3
299.13599	0.9
305.09177	0.9
306.09787	1.3
307.10666	4.5
308.11465	2.0
309.08878	1.3
309.12158	5.7
311.10306	7.3
311.13904	2.3
312.10989	3.5
313.11783	3.2
314.12787	1.5
317.09296	1.0
319.10773	1.2
321.12222	1.2
323.10239	1.9
323.13931	2.4
324.11087	2.9
325.11795	4.6
326.12604	3.5
327.13245	6.2
328.14096	1.0
335.10181	18.7
336.10535	0.9
337.11710	3.5
339.09872	2.0
339.13342	51.3
340.10263	3.6
340.14114	1.7
341.11307	4.9
341.14859	1.3
352.10538	1.4
353.11221	13.1
354.11978	5.4
355.12839	17.3
367.12839	38.0
368.13403	2.0
372.17157	0.8
418.17789	1.2
432.19339	1.7
444.19363	0.8
448.46634	0.8
460.18369	4.4
461.19254	1.0
470.17123	1.8
472.18967	1.0
474.20340	1.1
478.19907	2.4
479.20554	0.8
488.18103	29.3
489.18350	1.8
492.21127	1.5
502.19754	1.5
506.19186	20.0
507.19516	1.3
520.20721	25.1
521.21185	0.9
534.18695	1.5
622.24286	1.9
632.22217	1.1
650.23358	13.0
651.23932	1.5
654.26099	1.0
664.25110	1.1
682.25916	100.0
683.26105	7.3
714.28357	2.3
714.40564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01865	0.6
57.03426	1.3
61.02911	0.7
69.03422	5.1
73.02904	1.0
75.05608	0.5
79.05488	1.6
80.05025	0.7
81.03404	2.3
85.02895	5.4
85.68468	0.5
86.66874	0.5
87.04457	1.0
91.05466	1.2
93.07025	1.5
94.06566	3.4
95.07355	0.9
96.08118	2.7
97.02880	2.9
103.05492	1.4
105.07039	0.8
106.06557	0.6
107.07364	1.3
108.08102	6.6
109.02868	0.7
110.09684	5.1
120.04492	2.7
120.08101	4.9
121.06543	0.6
122.06020	6.8
122.09648	3.5
123.06681	0.6
124.07557	0.7
127.03909	1.6
131.04898	0.8
132.08063	0.7
136.07542	9.5
137.05956	12.7
138.05498	0.9
138.09114	8.0
148.07544	6.1
150.09135	6.8
151.03845	0.6
151.07562	1.0
152.07094	1.8
152.10750	0.7
161.06017	1.0
163.03868	0.7
163.07552	0.8
164.07056	1.5
166.08612	17.9
167.07124	0.8
172.03973	0.9
175.07573	0.7
177.05490	2.3
179.07005	8.6
190.05026	1.0
194.08188	1.4
197.10713	1.1
198.11523	0.7
209.10750	1.1
210.11404	0.7
212.09537	0.8
213.10204	1.0
221.10812	0.9
222.11378	0.6
223.08582	1.0
223.12306	2.1
224.09444	1.1
225.10156	4.0
226.10995	1.1
227.11819	1.7
233.10745	1.5
234.11443	0.8
235.08717	2.5
235.12334	1.0
236.09381	1.3
237.10184	9.2
238.10933	2.4
239.08215	1.5
239.11807	3.8
241.09587	0.8
248.09474	2.3
249.10193	8.3
250.07230	0.6
250.10982	3.1
251.08148	3.0
251.11760	10.5
252.08954	1.3
252.12613	1.9
253.09676	6.2
253.13438	1.1
254.10585	0.7
255.11232	3.2
261.10233	6.1
262.11035	1.7
263.11758	7.4
264.12460	1.0
265.09692	14.4
266.10495	2.5
267.11227	6.8
268.11960	1.1
269.09415	0.9
269.12650	1.0
271.10858	2.2
273.12216	0.9
275.08060	0.7
277.09677	4.7
278.07086	1.0
278.10519	5.7
279.07767	2.7
279.11200	17.5
280.11877	2.8
281.09320	3.5
281.12860	2.4
282.09830	0.9
283.10764	7.0
285.12347	1.7
287.13904	0.8
289.09634	12.4
289.12540	0.9
290.10602	1.3
291.11221	4.5
292.11935	1.1
293.09256	7.0
293.12866	4.9
294.10083	5.0
295.10736	5.1
296.11441	3.7
297.09177	0.7
297.12338	3.0
298.12866	0.8
299.10303	0.9
306.09998	1.4
307.10736	4.0
308.11481	2.1
309.08838	0.8
309.12253	5.6
310.12878	1.0
311.10315	8.0
311.13968	2.4
312.10928	3.9
313.11884	3.2
314.12689	1.3
315.13815	0.7
317.09277	1.7
323.10507	2.0
323.14005	2.4
324.11142	3.3
325.11688	5.3
326.12585	3.6
327.13297	6.8
328.14212	0.7
335.10208	19.7
336.10773	2.0
337.11856	4.2
339.13354	50.1
340.10593	5.1
340.13913	1.3
341.11414	4.9
341.14706	1.3
342.16034	0.9
349.11719	0.8
352.10526	1.6
353.11270	12.9
354.11978	4.9
354.15912	0.9
355.12857	16.4
356.13406	0.9
367.12845	37.2
368.13431	2.5
370.15140	0.8
390.18262	0.7
399.15744	1.0
400.16504	1.0
402.18359	0.7
414.18250	1.0
418.17892	0.9
432.19388	1.2
442.17523	1.3
444.19055	0.9
460.18704	5.0
470.17059	1.5
472.18765	1.2
474.20526	0.8
478.19702	0.9
479.20541	1.1
488.18130	25.5
489.18527	2.0
492.21368	1.9
502.19397	0.9
506.19135	18.8
507.19394	1.1
520.20734	20.1
521.21014	1.6
534.18799	1.6
622.24182	1.4
632.22498	1.2
650.23401	11.7
651.24176	1.3
654.25970	1.3
664.25287	1.5
682.25958	100.0
683.26105	8.6
714.28223	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11964	0.6
67.05485	1.3
69.03410	2.4
71.04980	49.0
79.05477	0.7
81.03392	2.5
85.02878	3.3
85.06521	7.1
94.04125	0.7
95.04951	3.0
97.02875	2.8
99.04438	1.1
103.05455	1.1
103.07563	0.9
103.57209	0.6
105.06993	1.2
109.02854	3.1
111.27222	0.6
113.05981	5.2
121.06496	1.5
121.10151	0.6
122.03674	1.3
127.03886	3.4
127.07533	21.4
131.04897	2.9
131.07022	12.0
133.06471	4.3
135.08060	1.3
137.05951	35.1
141.05489	1.0
145.08571	100.0
146.08961	1.5
149.05988	0.8
151.07542	2.1
155.06967	1.1
157.13252	0.7
163.07492	8.3
173.08119	2.0
175.07413	1.6
177.08994	1.0
180.90697	0.7
189.09113	1.6
191.09123	11.7
195.58641	0.7
203.10693	1.2
221.11664	1.1
257.10077	1.0
282.01987	0.7
295.13226	4.6
299.11111	1.5
317.12350	2.4
327.15894	6.3
335.13202	3.9
345.16953	1.3
355.09482	0.7
392.83127	0.7
435.17844	1.0
501.94653	0.7
682.25659	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01862	3.0
55.05502	21.0
57.03426	15.6
57.07067	2.6
57.10495	1.6
61.02912	4.4
61.78786	1.1
65.03923	2.7
67.05494	50.6
69.03419	3.4
69.07056	8.6
69.37206	6.9
71.04977	4.7
73.02927	1.9
73.25410	1.1
75.86872	1.2
79.05478	68.0
79.38361	1.3
80.05807	1.3
81.03036	0.7
81.03403	46.4
81.07043	52.1
83.04969	13.0
83.08610	20.7
84.16873	1.0
85.02884	21.4
85.06539	3.6
91.03953	2.0
91.04979	0.8
91.05464	38.0
93.07031	54.4
95.04952	27.0
95.08591	30.7
95.89669	1.2
97.02883	4.3
97.06502	6.2
97.10163	4.4
98.23630	1.1
99.08099	2.8
105.04527	2.5
105.07010	26.9
107.04948	5.3
107.08578	18.3
109.06502	5.6
109.10139	12.6
111.08057	9.6
113.05972	2.8
115.05403	1.2
117.07001	5.6
118.49407	1.1
119.08558	19.7
121.10130	28.8
123.08082	3.3
123.11707	5.1
125.09563	2.2
128.06227	1.2
129.07002	8.4
131.08525	15.1
133.06470	2.4
133.10117	16.0
135.11656	15.0
137.09648	2.6
138.16824	1.4
142.07755	2.5
143.20374	1.1
145.10120	8.9
147.08011	3.2
147.11642	16.2
149.09607	6.1
149.13214	6.7
151.11247	1.1
157.10117	12.2
159.11679	4.2
165.12721	1.8
173.13287	2.8
175.11169	11.1
193.12206	33.2
211.11711	0.7
211.13257	48.3
215.17929	15.5
233.18912	10.1
267.15860	11.7
285.16922	54.9
307.22620	95.0
308.23126	2.7
407.29504	2.5
425.30374	1.4
460.02676	1.4
499.34061	13.0
500.33749	1.5
517.35168	100.0
518.35400	6.0
665.28497	1.2
675.42358	1.4
714.44342	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	714.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	24.1
57.03425	22.5
66.19961	12.6
67.05498	88.8
69.07056	21.6
69.74752	40.7
71.24265	11.6
76.24039	12.6
76.54884	13.7
79.05486	55.2
81.07041	100.0
91.05450	27.3
93.07021	46.4
93.90166	13.2
95.08617	55.9
98.22701	14.1
98.88074	13.6
105.07023	50.0
107.08595	41.3
109.10143	27.0
119.08577	31.8
121.10149	30.0
131.08585	23.3
133.10152	32.0
133.97232	14.1
145.10098	24.4
147.11687	25.9
165.12717	22.9
173.75873	14.2
234.85323	13.3
239.16405	30.8
298.51440	14.0
320.76147	18.7
335.25809	38.6
425.33734	26.1
499.37436	36.0
517.38751	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	715.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.2
67.96248	0.1
69.40686	0.5
81.03421	0.1
81.07082	0.1
85.02910	0.2
90.08614	0.1
91.05495	0.1
91.39286	0.1
95.04948	0.1
95.08617	0.1
95.83512	0.1
97.02888	0.2
97.69462	0.1
105.07040	0.1
125.02111	1.1
125.02961	0.1
126.02901	0.3
137.05952	0.6
141.05231	0.1
151.00037	0.3
153.05223	0.7
167.03119	0.2
168.07559	0.2
169.04703	1.3
213.07301	4.1
213.09305	0.2
225.07330	0.3
227.05257	0.2
238.90527	0.1
255.08395	1.0
285.09381	1.5
291.08432	0.1
297.09488	0.8
313.12704	0.2
315.10431	0.7
329.12332	0.1
341.12051	0.8
357.11487	3.7
357.15778	0.2
358.12036	0.1
365.10025	0.3
421.14713	0.6
463.15735	0.2
481.16739	1.6
483.80331	0.1
543.18195	0.3
562.21826	0.1
575.74487	0.1
585.19104	0.4
655.23517	1.9
666.71783	0.1
691.14520	0.1
700.23499	0.3
715.25537	100.0
716.25885	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	715.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56025	0.2
56.52936	0.2
69.72449	0.3
69.72794	0.6
71.88088	0.2
73.13742	0.2
81.07043	0.2
85.02845	0.2
98.22727	0.3
118.18531	0.2
125.02109	0.9
126.02914	0.2
137.05986	0.4
141.05196	0.2
151.00050	0.4
153.05254	0.9
161.05865	0.2
169.04684	1.5
205.30966	0.2
213.07286	4.2
226.69789	0.2
230.31030	0.2
237.17778	0.2
255.08368	1.1
285.09549	0.7
297.09503	0.6
313.12439	0.2
315.10648	0.5
341.12106	1.1
347.08838	0.3
357.11417	4.6
362.11414	0.4
365.09900	0.5
381.12921	0.3
421.14523	0.2
481.17139	0.4
543.18439	0.4
585.19379	0.6
655.23541	1.5
682.99908	0.2
685.25439	0.4
715.25568	100.0
716.25897	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	715.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56025	0.2
56.52936	0.2
69.72449	0.3
69.72794	0.6
71.88088	0.2
73.13742	0.2
81.07043	0.2
85.02845	0.2
98.22727	0.3
118.18531	0.2
125.02109	0.9
126.02914	0.2
137.05986	0.4
141.05196	0.2
151.00050	0.4
153.05254	0.9
161.05865	0.2
169.04684	1.5
205.30966	0.2
213.07286	4.2
226.69789	0.2
230.31030	0.2
237.17778	0.2
255.08368	1.1
285.09549	0.7
297.09503	0.6
313.12439	0.2
315.10648	0.5
341.12106	1.1
347.08838	0.3
357.11417	4.6
362.11414	0.4
365.09900	0.5
381.12921	0.3
421.14523	0.2
481.17139	0.4
543.18439	0.4
585.19379	0.6
655.23541	1.5
682.99908	0.2
685.25439	0.4
715.25568	100.0
716.25897	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	715.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20867	1.0
61.21320	1.0
61.64199	1.0
65.26208	1.1
71.44687	1.3
222.90565	1.3
286.94272	1.1
390.84656	1.1
444.61288	1.2
473.80872	1.2
549.63849	1.2
667.69647	1.5
715.32947	100.0
716.33197	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	715.3298
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
51.43987	0.8
56.96563	1.1
77.92529	1.0
96.60934	0.8
98.23417	1.8
98.97631	1.3
105.53658	0.8
116.98624	1.0
119.98079	1.0
120.50607	0.9
149.01273	1.5
152.98434	1.0
170.99690	0.9
211.59503	0.8
248.01808	2.3
249.02008	2.3
269.08359	0.9
293.05463	1.4
321.04959	2.5
343.67624	1.0
670.13599	1.1
687.45569	1.0
715.32947	100.0
716.33203	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	715.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08363	0.9
70.01802	2.4
86.94263	0.8
91.61554	0.8
138.64651	0.9
150.50769	0.9
164.23883	0.9
169.83464	0.9
171.43425	0.9
177.67244	0.8
203.05168	1.8
243.65269	0.9
259.08047	2.1
347.09515	2.5
365.10687	2.9
421.13345	1.2
553.29724	17.8
715.34973	100.0
716.35284	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05495	1.9
57.03434	2.8
61.02917	8.5
65.03940	0.5
67.05495	6.5
69.03416	3.9
69.07071	1.6
71.01357	0.6
71.05001	1.1
71.45674	0.5
73.02906	5.5
79.05479	6.9
81.03410	2.0
81.07047	5.8
82.07404	0.5
83.08630	0.5
85.02896	7.0
85.06541	0.6
85.33538	0.5
87.04436	0.9
91.03930	4.7
91.05464	5.8
93.07033	8.2
95.04959	1.6
95.08595	5.0
97.02879	5.5
99.04462	0.7
101.02365	2.7
103.03910	0.6
105.07018	3.6
107.04949	0.5
107.08598	2.0
109.02881	1.2
109.06491	0.6
109.10155	1.6
111.08090	0.5
115.03957	0.6
117.07021	1.4
119.08585	2.1
121.10107	3.3
121.33758	0.4
123.11687	0.8
127.03915	2.4
131.08553	1.4
133.10191	1.3
135.11710	1.4
143.08604	0.7
145.10110	1.1
147.11690	1.8
159.11700	0.6
161.13287	0.7
168.85269	0.4
171.11676	1.1
173.13348	0.6
185.04274	0.6
203.05283	0.8
243.08330	2.2
247.13074	1.7
261.22549	0.5
307.22708	1.1
403.65536	0.5
465.20978	4.7
491.26096	8.1
518.39093	0.9
643.94330	0.6
651.24860	0.7
715.40149	100.0
716.40497	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	716.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
58.69855	0.8
65.03927	1.0
67.23618	0.7
69.03412	0.9
69.18734	1.4
69.19141	3.3
71.04992	0.9
72.08134	0.8
72.62442	0.6
77.71066	0.8
79.05499	1.4
81.03396	2.1
84.63364	0.7
85.02898	1.4
91.05473	4.3
93.07010	1.0
94.04181	2.0
95.04982	1.3
103.05449	2.3
105.07052	1.7
105.40292	0.7
107.12642	0.7
109.06494	0.9
111.18969	0.7
115.05470	3.5
117.07001	0.9
119.04915	4.0
121.02844	1.2
121.06458	0.9
122.03585	5.2
124.92886	0.9
129.06973	2.3
131.04919	3.3
133.06487	1.0
137.05965	100.0
138.06306	1.6
143.04913	2.3
144.05620	1.0
145.06471	1.9
147.04431	1.9
149.05957	2.5
151.03917	6.1
151.07545	9.0
152.04140	0.8
153.05391	1.1
157.06473	3.4
160.05168	4.5
161.05988	5.5
163.03886	1.0
163.07579	3.5
165.06935	1.1
167.07057	1.8
172.05157	1.0
174.06860	1.5
175.07535	30.2
175.09065	1.5
177.05435	2.9
177.08965	0.8
179.06999	1.4
181.06419	1.0
185.05884	0.9
187.07495	12.2
189.05209	0.7
189.09090	2.8
195.06502	1.7
198.06702	0.9
199.07489	9.9
201.05400	1.1
203.08725	1.1
205.08592	10.2
211.07533	2.3
213.09044	1.8
217.08620	2.0
221.05962	1.7
225.09146	1.4
229.08656	1.3
231.08177	1.1
235.09644	6.7
243.08029	0.9
248.08307	0.9
253.08591	2.0
259.09753	1.6
261.09088	1.4
263.07281	0.7
263.10550	1.7
265.08597	2.5
268.14233	0.7
270.43604	0.7
271.05963	1.3
275.10535	1.0
277.08450	1.8
283.09692	1.3
285.11343	2.5
289.08658	1.4
291.10107	3.7
297.11185	3.1
303.10190	3.0
305.11621	1.6
307.09644	1.3
309.11185	2.2
311.12704	1.4
315.09900	1.0
320.10425	0.9
321.11237	4.4
323.12769	6.5
325.10361	1.0
335.12714	8.8
337.14288	0.9
347.12665	3.3
353.13748	3.0
355.11673	0.9
365.13892	4.4
378.07520	0.8
383.14722	3.0
415.99066	1.0
418.14099	2.2
447.17636	1.2
457.16074	1.0
459.18066	5.4
471.18057	2.9
475.18054	0.8
483.17941	0.9
488.29398	0.8
489.19052	10.4
490.19238	1.1
501.19095	2.5
507.20038	5.2
519.20093	2.0
536.19666	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.9
65.59142	0.8
69.03432	0.9
71.44400	1.1
79.05462	1.8
81.03408	2.6
85.02901	1.3
91.05487	3.0
93.03390	1.0
94.04164	3.8
95.04952	1.0
97.02888	1.3
101.23645	0.9
103.05453	2.8
105.07026	1.1
107.04973	1.0
109.06507	1.5
111.04433	1.2
115.05448	3.2
117.06947	1.2
119.04919	2.8
121.02849	1.6
121.06518	1.0
122.03645	5.3
125.05933	1.4
128.06239	1.2
129.07005	2.7
131.04887	4.2
133.02866	1.1
133.06470	1.2
137.05957	100.0
138.06308	1.5
141.06937	0.9
142.34897	0.8
143.04849	2.0
145.02847	1.4
145.06442	1.6
147.04414	2.7
149.05969	2.3
151.03903	7.0
151.07520	7.4
152.04247	1.2
157.06467	2.5
160.05162	4.5
161.05937	6.3
163.03931	1.0
163.07475	4.1
165.05498	1.0
167.07002	1.5
172.05205	1.2
173.05891	1.1
174.06741	1.0
175.03799	1.0
175.07520	29.4
177.05447	3.3
177.09109	1.2
179.07030	2.2
181.83910	0.8
187.07495	12.7
189.09035	2.6
195.06430	1.3
196.46100	0.7
199.07506	9.7
201.05467	1.7
203.06883	1.0
203.08620	1.3
205.08582	9.5
211.07581	1.3
213.09004	1.1
217.08565	3.0
221.05968	1.5
222.06831	1.8
231.08154	1.2
233.48367	0.9
235.09613	7.8
245.10046	0.9
248.08463	1.0
253.08765	1.2
259.09772	1.8
263.10757	1.9
265.08514	2.6
271.05997	2.8
272.06204	1.4
275.10556	1.4
277.08582	2.3
277.12158	0.8
278.09122	1.1
283.09692	0.9
285.11197	2.8
289.08508	1.8
291.10040	4.3
295.09589	1.0
297.11118	3.1
300.08002	1.0
303.10141	1.9
305.11597	1.1
307.09647	1.7
309.11179	1.6
313.68140	1.0
315.10028	2.3
321.11246	3.4
323.12683	6.0
325.10834	1.0
333.11050	2.3
335.12732	7.2
337.14447	1.6
347.12637	2.9
353.13867	2.4
365.13934	4.5
377.13928	1.0
383.14709	3.8
385.10324	1.2
418.14099	3.2
427.15427	1.1
430.13797	1.2
439.15637	1.3
459.18015	8.3
471.17731	2.8
483.17911	1.9
489.19028	9.8
501.19464	1.6
507.20142	5.3
519.19824	2.0
536.19867	1.8
716.24451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38853	2.8
57.07066	29.4
67.43951	3.2
69.07053	3.9
71.08617	24.0
71.45705	4.9
73.06555	8.2
85.10149	16.4
85.36401	3.2
87.04441	10.3
89.06013	100.0
97.10154	5.5
100.19656	3.0
117.09115	7.6
130.08612	3.3
131.07074	3.3
133.08589	61.1
177.11183	23.6
197.22560	4.1
221.13800	5.5
285.27783	5.6
327.75250	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	717.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54123	0.3
61.45477	0.4
62.89201	0.3
63.69741	0.4
70.50857	0.6
87.46902	0.4
88.18017	0.3
98.22756	0.6
120.36243	0.3
125.02106	0.7
137.05981	0.7
153.05217	0.6
161.06003	0.4
162.92348	0.3
169.04784	1.2
182.26219	0.3
213.07292	3.4
249.83493	0.3
255.08430	1.5
276.82169	0.4
285.09540	1.0
297.09448	0.5
341.12201	1.2
357.11505	4.1
364.12622	0.4
382.13678	0.5
383.14984	0.6
396.59714	0.4
481.17084	0.5
500.19382	0.3
544.83893	0.4
545.19934	0.7
587.20898	0.5
657.25122	1.9
717.27136	100.0
718.27496	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	717.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65569	0.2
54.68447	0.2
68.74079	0.2
71.25975	0.2
73.77180	0.2
75.01480	0.2
95.90125	0.2
96.53758	0.3
98.22615	0.4
118.90468	0.2
125.02124	1.0
135.71277	0.2
137.05937	0.2
153.05247	0.7
159.04082	1.1
169.04727	1.3
213.07306	4.3
227.05496	0.3
255.08420	1.1
285.09454	1.6
297.09540	0.8
315.10284	1.1
341.12091	1.3
357.11484	3.6
367.11588	0.9
382.13281	0.3
383.14136	0.3
421.14624	0.7
463.15768	0.3
481.16724	1.7
545.20135	0.6
549.19586	0.4
587.20807	0.5
657.24945	2.2
717.27130	100.0
718.27441	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80704	1.3
51.90985	1.7
57.18716	1.3
61.36156	1.3
74.10338	1.3
80.18587	1.4
91.09719	1.4
91.68085	1.5
170.99687	1.4
316.49478	1.3
717.34412	100.0
718.34760	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	717.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
55.05499	1.4
57.03428	1.9
61.02916	5.4
67.05495	4.0
69.03420	4.2
69.07053	1.0
71.01334	0.4
71.04984	0.4
73.02905	3.9
75.04469	1.0
75.99763	0.3
79.05476	4.5
81.03403	1.3
81.07050	4.0
83.08602	0.8
85.02892	5.2
87.04467	0.5
91.03940	2.9
91.05463	2.5
93.07017	5.9
95.04958	1.1
95.08597	3.4
97.02872	5.1
97.49333	0.3
97.82207	0.3
99.04440	0.8
101.02372	1.0
103.03925	0.4
105.04549	0.3
105.07003	2.0
107.04986	0.4
107.08593	2.1
109.02868	0.9
109.10129	0.8
116.88346	0.3
117.07001	1.0
119.08580	1.1
121.10113	2.7
122.10540	0.3
123.11714	0.4
127.03905	1.1
131.08554	0.9
133.10107	0.6
134.40553	0.3
135.11662	1.7
138.85106	0.3
145.10123	1.2
150.67810	0.3
159.11691	0.4
163.11148	1.8
175.14876	0.3
185.04166	0.6
192.22003	0.3
227.12778	1.4
243.08266	1.7
249.10944	10.2
250.11250	0.4
262.57205	0.3
280.70053	0.3
305.13696	1.5
307.22696	0.7
431.66525	0.3
434.30627	0.3
441.83218	0.3
467.18674	4.3
491.26126	8.3
492.26361	0.5
546.25446	0.7
555.33099	0.5
562.77539	0.3
606.27368	0.5
716.05682	0.4
717.38007	100.0
718.38586	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	717.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.5
57.03418	2.2
60.50244	1.1
61.02918	5.0
66.59216	1.1
67.05487	6.2
69.03430	3.7
69.07052	1.9
73.02913	2.8
79.05496	4.2
81.03417	1.9
81.07050	5.2
85.02915	6.0
91.03969	2.3
91.05477	2.0
93.07045	5.0
95.08601	2.9
97.02900	3.7
97.06511	1.2
101.02357	1.3
107.08591	2.9
109.10202	1.5
119.08594	1.9
121.10160	1.7
133.59862	1.2
135.11681	2.4
144.81963	1.1
145.10077	1.7
155.88388	1.3
243.08342	2.4
268.04318	1.3
306.45468	1.4
345.15692	1.5
439.19589	4.2
519.29004	8.1
628.70947	1.3
717.41663	100.0
718.41827	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	718.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
59.04994	0.4
69.03429	1.7
69.06995	1.3
72.35107	0.2
73.02894	0.2
77.03928	0.2
79.05486	0.6
81.03416	0.4
83.91900	0.2
84.04495	0.2
85.02888	1.2
87.04466	0.8
91.05468	0.6
93.07043	1.3
95.04984	0.5
97.02880	2.9
99.04418	0.2
103.05457	7.2
105.04627	0.2
105.79333	0.2
107.04942	1.5
109.02879	0.8
115.03918	29.1
116.04230	0.2
120.08091	100.0
121.08446	1.5
127.03892	1.6
130.05037	0.3
131.04895	2.8
133.04953	6.1
145.04944	0.8
149.05968	1.9
166.08618	39.0
167.08961	0.5
199.88820	0.2
241.07011	0.6
259.08090	5.4
277.09158	10.2
303.64667	0.2
546.43011	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	718.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.6
57.03420	1.4
61.02921	1.3
64.83983	0.9
65.03941	1.9
67.05489	1.4
69.03411	3.2
70.06569	1.2
72.44279	1.0
75.11981	0.9
76.51120	0.8
79.05466	3.7
79.19102	0.9
80.05034	1.9
81.03401	2.0
81.05770	1.3
81.07040	1.2
82.06583	1.6
84.08149	1.1
85.02882	7.5
91.05469	4.6
93.07037	7.0
94.06547	8.0
95.04952	3.1
95.07330	5.8
96.08120	17.1
97.02908	1.7
97.06511	2.9
99.08057	1.1
103.05459	1.6
105.07024	0.9
108.08115	16.2
110.09658	34.5
111.04440	1.3
116.04971	1.1
118.06506	1.6
118.94293	1.0
120.08083	23.5
121.02843	28.6
122.05988	3.0
122.09603	2.4
123.06788	1.3
124.07577	5.7
127.03854	1.5
136.07555	13.7
137.05916	2.5
137.08253	1.4
138.05502	3.0
138.08046	2.3
138.09119	45.4
139.03865	3.1
139.06227	1.0
144.04385	1.7
145.04884	1.2
146.05992	4.3
148.07533	9.5
150.09122	4.3
152.07037	4.0
154.08615	1.2
160.03886	1.3
165.09187	1.1
166.04968	2.2
166.08606	82.7
167.08955	0.9
172.03899	11.7
175.07510	1.3
180.06548	1.1
190.04965	6.1
195.06511	25.2
198.07597	2.2
204.06548	14.9
211.08568	2.2
212.09042	1.3
213.10234	2.3
223.08604	2.9
224.09373	1.2
225.10147	3.4
227.08133	2.3
227.11781	1.4
236.09573	1.3
237.10213	13.4
238.10869	1.5
239.08150	6.9
239.11731	2.1
241.09767	5.0
249.10300	1.2
251.08067	6.1
253.09671	13.1
255.07581	1.2
255.11342	4.6
265.09702	26.4
266.10400	2.9
267.07626	4.6
267.11200	6.4
269.09033	1.4
279.07620	5.2
279.10785	1.0
281.09198	15.7
283.10672	15.0
284.11130	1.2
287.10242	3.4
293.09149	20.2
294.09805	2.4
295.10709	14.9
296.11002	1.2
297.08774	1.1
297.12143	2.2
298.09341	1.2
298.47946	1.1
299.10257	8.5
301.11700	1.6
307.10764	1.3
309.08759	5.9
311.10172	15.0
312.10794	1.3
313.11691	1.9
315.13367	1.2
321.08643	12.7
325.11707	9.3
327.09744	17.5
327.13297	2.7
331.12857	2.1
339.09702	33.1
341.11337	5.1
343.12903	1.8
344.13785	1.1
353.11215	10.5
357.14499	2.5
359.12268	41.3
360.12637	1.7
371.12265	21.4
372.12711	2.4
377.15979	3.8
418.17603	5.7
420.74210	1.1
428.16211	1.2
436.18628	2.5
444.71011	1.1
446.17126	8.7
448.18582	3.5
464.18121	17.2
465.18738	1.1
474.16516	5.5
480.21478	1.6
487.17017	4.1
492.17572	100.0
493.17700	5.8
493.64697	1.1
506.19171	17.0
524.20197	81.8
525.20447	4.2
538.21545	2.6
654.22626	4.6
684.52081	1.1
686.24902	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	718.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32725	0.9
55.01870	3.0
55.34838	0.9
63.64646	1.0
65.70132	0.9
69.03435	1.8
70.06589	1.3
70.65592	1.8
71.01354	4.2
79.05497	7.2
81.03400	1.1
85.02892	7.9
86.09721	1.1
91.05464	4.8
93.07060	1.3
94.04220	1.3
95.04973	4.7
97.02905	1.7
103.05457	12.3
105.04469	1.0
105.07034	3.8
105.21133	1.0
107.04942	41.6
109.02876	1.0
109.10172	1.0
110.07156	1.6
111.04443	1.8
115.03934	2.0
115.05472	4.2
117.07082	1.8
118.04160	0.9
119.04933	2.8
120.08134	2.2
121.06526	6.6
122.03686	1.0
123.04400	2.4
125.05994	4.5
127.03976	1.5
131.04892	5.2
133.02853	2.9
133.06502	2.9
135.04413	7.4
135.08057	9.4
137.05969	18.6
138.06763	1.9
145.04916	2.1
145.07616	1.6
146.03680	1.7
147.04396	6.1
149.05971	11.8
150.06708	1.7
151.03891	61.8
151.04945	3.9
151.07545	3.0
153.05437	10.8
161.05968	13.4
161.09634	3.7
163.03923	4.2
163.07527	78.8
164.07996	1.4
165.05460	5.0
165.09200	1.2
167.07014	8.7
175.07550	4.0
177.05475	4.2
177.08945	1.3
178.06218	16.8
179.07050	6.5
181.08577	36.2
182.09364	3.5
187.07562	1.0
189.05406	1.7
189.09065	8.3
191.07028	3.2
195.06500	14.8
196.07330	7.0
197.19098	1.0
207.10118	13.3
217.08678	1.7
235.09703	2.0
275.05539	1.3
283.09628	3.2
283.13214	1.9
297.11349	1.7
311.12927	2.1
327.12265	4.8
329.13776	9.1
341.13959	3.8
347.15005	2.8
359.14886	11.6
377.15930	100.0
378.16351	5.1
475.84726	1.3
512.33972	1.3
656.45868	1.1
727.75854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87407	0.6
69.03395	0.7
70.46667	0.6
73.28053	0.6
79.05476	1.5
81.07048	1.0
85.02886	2.8
91.04959	0.7
91.05473	4.6
93.07027	0.8
94.04176	3.4
95.04955	1.7
97.02860	1.2
103.05463	0.7
104.56664	0.6
105.06987	0.9
107.04926	1.9
109.06506	2.1
115.05437	1.3
117.06998	0.7
119.04940	3.6
121.06499	1.7
122.03627	6.4
123.08053	1.1
128.06133	0.7
129.06982	2.8
131.04910	2.3
131.08499	0.7
133.06470	1.1
134.01613	0.6
135.08020	0.8
137.05959	100.0
138.06323	1.8
141.06921	0.8
145.04922	0.7
145.06461	1.0
147.08011	0.7
149.05977	1.8
151.03906	1.7
151.07521	20.8
157.06476	1.5
158.07190	0.7
159.08032	1.3
161.05956	8.5
161.09615	1.2
163.07550	3.1
165.07021	1.1
165.09158	1.0
174.06731	1.7
175.07539	4.3
177.05463	0.6
177.09091	2.7
178.07716	0.6
179.06998	2.0
179.08507	0.9
181.06380	1.6
183.08028	0.9
187.07507	2.3
189.09091	5.8
193.06596	0.8
194.07349	0.8
195.08168	1.4
195.10152	7.5
197.05968	0.7
198.06741	0.8
199.07506	1.5
201.09113	1.7
205.06491	1.8
205.08429	1.0
207.10139	1.8
210.06653	1.3
213.09128	3.0
219.08147	0.9
219.10104	7.9
221.05995	1.4
222.06750	0.7
225.09088	2.6
226.27309	0.7
231.08110	0.9
231.10159	0.8
233.06004	1.2
234.06721	1.0
235.07512	1.3
237.09167	3.7
241.08578	0.9
243.10118	0.8
245.09561	2.4
247.07486	0.9
249.09058	3.1
251.06961	0.8
251.10622	0.8
253.08559	2.3
257.09589	0.7
259.07257	0.8
259.09579	3.1
261.08936	0.9
261.11307	1.6
262.09860	1.2
263.10486	1.0
265.05994	1.0
265.08548	7.3
267.10114	2.3
268.07370	0.8
269.07974	1.1
274.09827	1.4
275.10925	0.8
277.08679	3.1
277.12234	2.1
279.10123	1.3
283.09555	3.4
284.10526	0.9
285.11417	5.7
289.08539	1.1
289.12003	0.8
290.09494	0.7
291.10071	2.0
293.11575	2.0
295.09467	1.3
297.11246	11.5
299.12790	1.0
302.09589	1.2
303.10068	1.3
305.11655	2.3
309.11276	4.0
311.12762	4.5
317.11389	2.2
321.11157	2.5
323.12790	1.3
327.12125	2.0
334.12003	0.9
335.12769	1.6
336.13443	0.9
337.14490	1.8
341.13809	1.7
343.15424	8.0
347.12927	0.7
349.14389	1.9
353.13950	1.4
355.15485	3.3
367.15366	28.8
368.15805	1.1
369.16852	0.7
379.15277	2.5
385.16440	2.0
397.11508	1.1
397.16418	12.3
413.17804	0.7
429.17188	1.0
447.18216	0.9
461.19534	6.3
473.19525	3.7
479.20563	19.3
480.20767	1.4
485.19669	1.1
491.20584	17.7
492.20987	1.0
503.20456	1.9
509.21393	2.5
521.21582	1.3
717.45978	2.2
718.46954	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	718.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.61473	0.5
69.03407	1.1
69.07054	0.5
70.06580	0.8
71.05006	0.7
71.44581	0.4
79.05466	1.5
81.03409	1.2
81.07044	1.0
84.08144	0.9
85.02888	2.7
87.04417	0.7
91.05460	2.7
93.07030	0.8
94.04157	2.2
95.04954	0.7
97.02868	1.4
107.04903	0.8
107.08573	0.6
109.02850	0.7
109.06490	1.4
109.10111	0.7
111.04447	0.6
119.04922	1.3
119.16251	0.6
121.10145	0.5
122.03623	5.0
123.08059	0.8
127.03894	1.4
129.06984	1.3
131.04948	1.3
131.08516	0.8
133.06491	0.5
137.05952	100.0
137.09569	1.3
138.06299	1.9
139.82187	0.5
141.06960	0.6
143.08505	1.2
145.06502	0.7
145.08557	0.6
147.04404	0.7
149.05951	1.5
151.03871	0.9
151.07513	5.6
153.05511	0.9
153.06900	0.9
155.08528	1.4
157.06459	1.2
159.08017	1.4
161.05959	1.4
163.03830	0.6
163.07503	1.7
165.07207	0.5
165.09058	1.0
167.07031	0.8
167.08481	0.6
171.08054	1.2
174.06718	0.9
175.07509	1.5
177.05443	1.2
178.21741	0.5
179.07036	1.6
181.06468	1.6
183.07993	1.0
185.09575	0.7
187.07515	1.3
189.09108	2.9
195.08047	0.9
199.07494	1.4
201.09065	2.2
202.07652	0.8
207.47920	0.5
211.07414	0.6
212.04733	0.5
213.09088	4.9
215.10593	0.7
217.10146	1.2
219.08176	0.8
219.10112	4.1
221.11604	0.5
225.09003	1.2
229.04892	0.7
231.07961	1.4
231.10144	1.4
237.08913	0.5
243.07962	0.7
243.10124	1.3
245.09578	2.1
247.07477	0.7
249.09041	0.6
257.09625	2.2
258.10297	0.6
259.07300	0.7
259.09598	4.4
261.08942	0.6
261.11227	4.0
271.07413	1.0
273.09061	1.0
274.09866	1.0
275.10638	0.9
277.08282	1.0
277.12350	1.4
277.71155	0.6
278.09119	0.6
279.10358	0.5
279.13626	0.9
283.09607	1.5
285.08923	1.1
289.08746	0.8
289.12134	1.8
290.09183	0.8
291.10077	2.0
293.08200	0.7
293.11578	0.8
297.11655	0.6
301.08551	0.8
302.09326	1.2
303.09991	1.4
305.11658	1.6
307.09482	1.1
309.11270	0.9
314.09247	0.8
315.10162	0.7
317.08435	0.7
317.11594	3.5
318.08734	0.6
318.12363	0.6
319.13324	0.6
321.11322	2.8
322.11774	1.0
329.11569	1.9
333.10992	1.0
334.11838	1.2
335.12869	2.4
337.14264	1.7
341.13638	0.8
347.12585	1.5
348.13327	0.8
349.14288	3.3
351.12183	0.9
353.13721	2.6
355.15363	3.1
361.14307	1.4
365.13742	1.3
367.15344	29.4
368.15750	1.7
369.16888	1.3
379.15308	6.4
385.16336	2.0
397.16394	14.3
398.16861	0.7
415.17511	0.6
473.19437	2.0
485.19592	1.2
491.20694	4.5
503.20462	5.4
521.21680	4.1
559.21454	2.6
717.46600	9.3
718.33563	1.4
718.46881	15.1
719.23999	0.7
719.35065	0.8
724.84247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02963	0.5
60.00443	0.4
66.31002	0.5
69.03405	0.8
69.76763	1.0
69.77144	1.5
79.05475	1.3
85.02885	1.5
91.05457	3.3
92.54800	0.5
93.06989	0.9
94.04192	1.3
95.04920	0.6
95.38319	0.5
97.02893	1.0
99.31407	0.4
103.05453	1.8
105.07019	1.4
107.08571	0.7
109.06484	0.8
115.05436	1.4
117.07025	2.4
119.04910	1.8
119.08532	0.6
121.06477	1.9
122.03646	2.6
123.08097	1.0
128.06207	0.9
129.06975	1.2
131.04929	3.5
135.08009	0.8
137.05954	37.5
138.06343	1.1
143.08498	0.8
145.06487	1.2
147.04391	0.7
147.08026	0.9
148.05232	0.6
149.05943	0.7
149.09546	0.7
151.03824	0.6
151.07510	14.2
157.06427	1.0
159.07983	0.6
161.05951	6.7
162.06685	2.0
163.07509	6.5
165.06905	1.1
165.09091	1.2
165.42807	0.6
175.07518	10.6
175.08920	1.1
177.09079	100.0
178.09419	2.2
179.07091	0.6
187.07500	1.8
189.09036	2.4
191.08534	1.5
191.10445	0.4
193.06435	1.1
194.07315	1.3
195.10143	5.8
201.09044	1.1
203.10449	0.8
205.06448	1.6
207.08170	0.8
207.10117	1.4
210.06697	0.9
219.07971	2.2
219.10155	3.6
220.08620	0.9
221.05917	1.8
221.11702	20.5
222.06725	1.0
224.08189	0.7
225.09018	0.7
227.10500	0.7
231.07962	0.7
233.05907	0.5
234.06773	0.6
235.07423	0.9
236.08199	0.6
237.09073	2.3
238.09752	0.6
239.10597	0.6
247.07504	1.4
249.09140	1.0
251.10631	2.2
253.08588	1.7
262.06195	0.5
264.07678	0.8
265.08560	9.0
266.09369	0.6
267.10104	2.2
277.08505	1.4
279.10159	3.8
281.08157	0.9
283.09573	1.2
284.10336	0.6
285.11151	5.0
287.12860	1.5
291.10199	0.8
293.08160	0.7
295.09573	0.8
296.10446	1.1
297.11127	8.7
299.12573	1.0
309.11182	1.6
311.12729	15.8
312.13251	0.9
313.14233	2.1
317.13766	1.0
323.12646	2.9
325.14246	0.8
341.13824	1.2
343.15375	1.8
351.15894	0.9
355.15375	4.6
369.16885	0.7
383.57846	0.5
459.17865	0.8
461.19855	2.6
475.21222	3.5
479.20471	5.4
491.20746	3.5
493.22220	3.2
599.98706	0.7
717.45239	0.7
718.23608	2.0
719.23157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
57.07067	33.8
59.04989	1.1
69.07049	2.7
71.08619	24.1
73.02914	1.3
73.06541	11.1
78.19155	0.8
79.05505	1.3
81.03422	0.9
81.07036	1.9
83.08596	1.2
85.10171	20.1
87.04467	12.2
87.53669	0.9
88.80392	0.8
89.06020	100.0
91.05450	1.2
91.07565	1.5
93.07046	1.0
97.10149	3.2
99.11723	5.7
107.07049	2.9
117.09113	8.8
130.08633	2.5
131.07001	2.6
133.08583	47.2
135.10152	1.8
155.17934	3.4
161.11728	2.4
175.09625	1.5
177.11172	20.7
193.62187	0.8
199.20529	3.2
221.13866	4.6
221.15642	0.9
239.14993	1.0
243.23106	8.6
265.16644	0.9
283.17285	1.3
287.25784	5.0
289.56973	1.1
309.19138	1.2
315.42371	1.1
390.06509	0.9
475.20599	1.1
531.24554	1.9
688.41229	1.0
718.38397	3.5
719.39990	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	719.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35629	0.4
58.41739	0.4
70.14886	0.7
70.15221	0.7
71.02144	0.4
79.36054	0.3
111.04173	0.4
125.02145	1.1
137.05966	0.5
152.90724	0.4
153.05260	1.2
159.04132	5.1
169.04713	2.1
181.04964	1.1
182.05420	0.6
213.07268	4.4
255.08412	1.6
285.09470	0.4
295.11560	0.6
297.09491	0.9
313.44815	0.4
341.12253	1.2
357.11475	4.5
369.13257	1.0
384.15121	0.4
385.16287	0.9
539.07886	0.4
547.21265	1.1
589.22650	0.6
659.26758	1.8
718.45508	1.2
719.28711	100.0
720.29022	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	719.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66790	0.3
53.03939	0.7
55.05507	1.5
57.03425	2.4
61.02917	5.0
63.18060	0.3
67.05494	4.2
69.03419	3.8
69.07054	0.7
71.01332	0.5
71.04981	0.7
73.02905	4.2
77.97813	0.3
79.05484	5.1
81.03403	2.5
81.07044	3.9
83.04964	0.3
83.08616	0.9
85.02889	6.6
85.10684	0.3
87.04455	0.5
91.03941	3.1
91.05463	2.4
93.07034	4.7
95.04935	1.6
95.08596	2.4
97.02886	4.8
97.06487	0.3
98.23618	0.5
99.04457	0.9
99.47079	0.3
101.02363	2.1
103.03963	0.5
105.06435	0.3
105.07027	2.1
107.08572	1.8
109.02891	1.0
109.10162	1.5
115.03926	0.4
116.71730	0.4
117.07020	0.6
119.08560	1.1
121.10119	2.7
123.11649	0.3
127.03922	1.3
129.06981	0.4
131.08554	1.3
133.10124	1.3
135.11720	0.9
139.81017	0.3
145.04945	0.3
145.10068	0.5
147.11690	0.7
159.11655	0.4
185.04201	0.8
193.12299	0.6
215.17943	0.3
218.50368	0.3
241.10770	0.3
243.08333	1.6
251.12592	1.0
265.97897	0.3
273.02307	0.3
307.22604	0.9
427.96298	0.3
469.20334	3.5
491.26141	8.5
719.39587	100.0
720.39880	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	719.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
57.03438	1.6
59.77899	0.6
61.02917	5.0
67.05500	4.4
69.03431	2.6
69.07060	1.4
71.44463	0.6
73.02927	4.0
79.05503	2.4
81.03411	1.3
81.07043	5.9
83.08609	1.0
85.02883	5.0
91.03944	4.2
91.05489	2.9
93.07047	2.7
95.08611	3.0
97.02876	3.1
99.04475	1.1
101.02370	1.2
105.07034	1.4
107.08603	1.7
109.02899	1.5
109.10150	1.1
119.08568	1.3
121.10205	2.2
123.11752	0.8
125.70337	0.6
127.03938	2.5
135.11751	0.7
147.11687	0.8
169.46220	0.7
218.06967	0.8
223.13132	1.0
243.08488	1.2
377.33813	0.7
441.20755	3.5
462.90317	0.6
496.13501	0.7
519.29211	8.0
600.07935	0.7
719.43317	100.0
720.43738	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	719.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.4
57.03438	1.7
61.02918	7.0
61.82022	0.7
67.05499	5.4
69.03432	3.2
69.07077	0.9
69.22232	3.2
71.04974	0.7
73.02905	4.0
79.05475	3.4
81.03429	1.7
81.07048	8.4
81.07435	0.8
81.85763	0.7
85.02890	5.6
87.04472	0.9
91.03935	3.1
91.05479	2.8
93.07057	3.7
95.04961	0.9
95.08587	4.3
97.02869	4.8
98.59890	0.6
99.04459	1.0
101.02386	1.8
105.07045	2.8
107.08624	1.8
109.02884	1.2
109.10172	0.9
113.16441	0.8
119.08600	1.4
121.10136	0.8
127.03912	1.9
133.10194	0.7
136.11995	0.6
147.11696	1.6
159.11705	0.7
165.12685	0.8
182.94560	0.7
243.08377	3.1
283.51263	0.7
377.03882	0.7
441.20792	7.0
497.38361	0.8
519.29272	6.8
623.54047	0.7
643.55627	0.7
719.43335	100.0
720.43817	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	720.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91484	1.4
52.93398	1.3
55.01867	2.9
57.03425	2.0
61.02900	1.5
65.03927	1.3
66.24310	1.1
69.03429	8.9
69.75593	4.0
73.02911	1.8
77.03943	1.4
79.05492	6.0
81.03438	6.7
85.02906	17.3
91.05468	15.7
93.07029	1.4
94.04176	1.7
95.04940	4.4
95.14436	1.3
97.02884	6.1
98.22714	1.4
103.03893	1.9
103.05461	13.8
105.07024	17.8
107.04947	26.0
109.02871	2.4
109.06475	1.3
111.04452	1.7
115.03896	1.7
115.05454	4.0
117.06991	2.0
119.04940	12.6
121.06504	10.0
122.03610	2.7
125.65376	1.3
127.03938	8.9
129.06992	8.0
131.04913	14.7
131.08536	1.7
133.02849	12.5
133.06477	20.5
135.04422	2.6
135.08049	8.5
137.05963	86.1
138.06213	1.4
145.04944	5.4
145.06503	2.5
145.07588	1.3
146.07254	3.2
147.04391	12.8
147.07947	2.1
148.05135	2.3
149.05963	20.5
149.09677	1.6
150.06691	2.7
151.07529	33.5
153.54523	1.4
157.06480	5.6
159.04477	2.0
159.08038	1.5
161.05962	88.1
161.09570	19.2
162.06598	4.9
163.07529	60.1
164.07930	1.7
165.05515	2.8
165.06923	1.7
165.09113	8.8
166.45645	1.3
167.07002	5.9
167.08374	1.6
171.07994	1.3
173.05977	1.6
174.06760	2.7
175.07501	13.8
177.05460	3.8
177.09070	4.8
179.07031	16.8
179.10709	1.4
181.08588	13.6
183.10155	3.4
187.07524	2.2
189.09084	45.9
191.06999	12.6
193.06677	1.5
193.08556	1.9
195.08037	4.4
195.10005	2.1
197.06007	2.1
199.07579	2.0
201.09117	1.9
203.06999	5.7
207.10138	100.0
208.10545	2.1
209.08000	1.7
213.09099	2.1
215.07024	2.6
217.08496	2.8
219.10115	5.5
221.05894	1.9
221.07834	1.6
221.09659	2.2
223.07506	2.2
225.09030	2.4
225.11115	3.1
227.10638	6.7
229.08614	3.5
233.08047	2.3
235.09624	2.1
241.08617	2.0
245.08212	1.7
247.09612	1.5
249.08830	1.6
249.11255	2.2
253.08600	4.2
253.12227	3.0
255.10147	5.3
261.11218	2.0
261.38632	1.4
267.10034	2.7
273.11206	7.2
275.09149	4.1
275.12555	1.6
281.11560	1.6
284.10107	1.7
285.11359	6.6
287.12726	9.9
291.12381	14.0
292.98868	1.3
293.10266	4.8
297.11093	2.9
299.12988	2.5
305.10144	2.4
309.13318	3.3
311.11472	4.7
313.14319	14.8
323.11185	3.7
325.14294	2.6
331.15344	61.8
332.15750	2.3
343.15375	11.7
692.91730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07676	1.0
55.01850	3.3
57.03426	3.0
61.02908	1.5
64.47145	1.0
65.03947	1.7
68.29301	1.0
69.03434	9.2
70.54442	1.5
71.38713	1.0
72.08146	1.5
73.02899	1.4
77.03928	1.6
79.05487	4.5
81.03413	5.7
83.04957	1.1
85.02901	16.5
91.05465	13.3
93.07015	1.6
94.04181	1.5
95.04974	3.8
97.02883	6.4
99.04414	1.6
103.03922	3.9
103.05464	13.1
104.20531	1.1
105.07010	15.7
107.04944	32.5
108.43427	1.3
109.02869	2.6
109.06497	1.1
111.04409	1.2
115.03906	1.7
115.05400	5.4
117.07008	2.3
119.04920	13.3
121.06488	11.0
122.03626	4.1
127.03917	9.0
128.06256	2.0
129.06984	7.1
131.04916	19.2
131.08530	2.2
133.02838	11.8
133.06473	19.7
135.04372	2.3
135.08009	7.1
136.05125	1.3
137.05957	91.5
138.06326	1.6
141.06999	1.1
143.04918	1.3
143.11755	1.1
144.05705	1.3
145.04947	5.8
145.06445	2.9
145.07594	1.4
146.07272	3.0
147.04384	14.9
147.07956	1.3
148.05165	3.0
149.05966	22.4
150.06799	2.7
151.03873	1.9
151.07524	39.4
157.06491	4.9
161.05960	85.4
161.09589	19.3
162.06656	4.7
163.03853	1.4
163.07520	61.3
164.08014	1.9
165.05441	3.5
165.06932	1.4
165.09096	7.2
167.07043	5.9
167.08432	1.7
169.06465	1.8
171.08066	1.8
174.06755	5.1
175.07516	13.5
177.05438	6.2
177.09090	5.6
179.07018	16.3
179.08469	2.1
181.04961	2.4
181.06464	1.2
181.06833	1.4
181.08565	14.0
183.08084	1.4
183.10179	3.1
187.07498	2.7
189.09082	55.3
190.09393	1.2
191.07011	11.1
193.06563	1.8
193.08591	3.8
195.08060	4.9
195.09929	1.1
197.06003	1.5
201.09123	2.2
203.06961	5.4
203.10550	1.2
205.08528	1.3
207.10139	100.0
208.10492	2.0
211.07550	1.2
215.07050	4.1
217.08597	2.5
219.10199	4.6
221.06021	1.2
221.07932	1.7
221.11530	1.5
223.07498	2.7
224.08365	1.4
225.09048	2.8
225.11226	2.8
227.06865	1.7
227.10609	6.3
229.08577	3.2
231.10156	1.6
233.08025	2.9
237.09061	1.8
239.10585	1.5
241.08385	1.2
245.07922	1.3
249.08989	2.1
249.11304	2.3
253.08551	3.2
253.12129	3.7
255.10132	6.6
257.07993	2.5
261.11227	1.5
263.09113	1.3
267.10187	2.6
273.11121	7.4
275.09119	3.2
281.11694	2.3
285.11197	7.6
287.12766	11.8
291.12222	13.5
293.10007	5.4
297.11209	3.7
299.12732	2.6
305.10226	2.2
309.13345	4.2
311.11713	4.5
313.14264	16.3
323.11221	4.3
325.14294	2.1
331.15350	70.3
332.15555	2.1
343.15363	11.9
457.18350	1.4
491.70956	1.1
699.51550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	1.1
55.01859	2.8
57.03430	2.4
61.02899	1.6
66.19241	0.9
66.86087	1.0
69.03428	11.9
69.16295	2.5
69.16702	3.7
70.06550	1.6
79.05481	4.0
81.03411	9.2
83.04943	1.0
85.02897	15.7
89.03917	1.1
90.93827	1.4
91.05466	15.9
91.05988	1.5
93.06997	1.2
94.04187	1.3
95.04964	4.4
97.02901	4.8
97.98465	1.0
99.04433	2.5
103.03941	1.7
103.05453	16.9
104.26694	1.1
105.04558	1.4
105.07030	15.0
107.04945	28.3
109.02873	3.8
115.03939	1.4
115.05455	4.5
117.07043	3.0
119.04951	14.4
121.06485	8.5
122.03642	3.6
127.03895	7.0
128.06227	1.8
129.06992	7.9
130.04147	1.3
131.04912	19.6
131.08542	2.5
133.02826	9.3
133.06480	19.4
135.04427	2.8
135.08047	6.4
136.05240	1.6
137.05963	100.0
138.06346	1.9
143.04904	2.2
145.04962	3.6
145.06470	4.6
146.07280	2.2
146.86754	1.2
147.04401	16.9
147.08031	1.9
148.05165	2.5
149.05960	19.0
149.07039	1.8
150.06715	3.7
151.03920	3.2
151.07526	38.6
152.07831	1.3
157.06473	8.7
159.08008	2.8
160.05231	2.1
161.05962	80.4
161.09590	17.2
162.06651	4.0
162.30923	1.1
163.03928	3.0
163.07526	62.6
164.08093	1.9
165.05511	2.0
165.09096	5.9
167.07060	8.2
167.08415	1.9
169.06497	2.2
171.08076	2.0
174.06729	5.1
175.07521	13.5
175.60172	1.2
177.05487	7.2
177.09125	5.4
179.07043	21.7
179.08549	1.7
179.10641	1.8
181.06458	1.4
181.07024	1.5
181.08534	9.4
183.10156	2.7
185.06004	1.4
187.07571	4.9
189.09079	46.7
190.09393	1.3
191.06993	10.4
191.08379	1.0
193.08618	2.1
195.08061	4.7
195.10155	3.2
197.05972	1.9
199.07623	1.6
201.09109	4.0
203.07024	4.5
203.10669	1.2
205.08524	2.2
207.10141	81.7
208.10535	2.6
209.05989	1.2
209.09633	1.5
212.08427	1.3
213.09079	2.9
215.07024	3.4
217.08609	2.7
219.10089	3.1
221.05984	3.4
221.07980	2.3
221.11670	1.6
223.07516	1.5
225.05550	1.1
225.09085	2.3
225.11209	3.0
225.99713	1.1
227.07072	1.3
227.10704	5.5
229.08621	4.7
231.09950	1.2
233.08008	1.5
235.09570	1.9
237.09128	2.2
238.06393	1.1
240.07806	1.2
241.08791	1.1
245.08113	1.6
247.09612	1.4
249.11238	2.7
253.08627	2.6
253.12292	2.0
255.10207	5.6
261.11310	1.6
263.09265	1.9
267.10162	2.4
269.07846	1.9
273.11182	9.6
275.09259	1.8
285.11224	4.7
287.09424	2.1
287.12674	10.5
291.12231	11.8
293.10181	2.7
297.11221	3.4
299.12766	1.9
305.10162	2.0
309.13208	3.5
311.11407	4.1
313.14270	11.7
323.11121	2.5
331.15347	47.3
332.15460	1.9
337.03284	2.2
343.15356	11.8
388.46268	1.2
457.18481	1.6
469.18695	2.1
501.88202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76336	0.4
55.05498	0.6
65.03939	0.6
65.18773	0.5
67.05486	1.1
69.03417	1.6
70.49862	1.0
74.29124	0.5
79.05474	0.9
81.07024	2.0
83.01328	0.7
83.04964	1.5
91.05461	1.9
93.07038	2.7
95.04979	0.8
95.08575	0.9
97.06501	0.7
103.05426	0.6
105.07008	1.3
107.08576	2.0
109.06467	0.6
109.10111	1.6
121.06493	5.2
121.10117	1.9
123.08086	0.6
131.04901	5.5
131.06465	0.5
133.10114	1.6
134.03644	0.8
137.09579	0.7
139.11130	0.9
147.04330	0.7
147.60898	0.5
149.02316	1.0
149.05972	2.6
159.04382	3.1
161.05984	0.7
162.03102	7.6
163.07518	0.7
177.05446	3.3
184.50735	0.5
189.05486	1.5
190.02579	18.3
191.06993	1.6
193.04941	2.2
199.03886	0.6
203.07072	0.8
205.04933	100.0
206.05305	2.4
207.06454	1.0
213.05424	1.3
217.05020	1.1
219.06502	14.0
221.04460	0.6
229.04985	0.6
230.05836	0.6
231.06505	1.4
233.08032	2.8
243.06430	1.2
245.08011	2.7
246.07607	1.0
247.06006	1.9
247.09549	1.2
257.08002	0.8
259.09637	1.2
271.09650	1.9
273.11209	7.3
283.09531	1.1
285.11105	1.5
297.11301	0.6
299.12827	0.8
301.10568	1.5
301.14151	0.6
313.14233	0.6
323.12878	0.6
324.70560	0.7
325.14307	9.3
327.15942	3.7
341.13797	0.8
343.15363	31.9
344.15756	1.7
345.16968	1.5
407.00314	0.6
483.62366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59769	2.0
53.72961	2.0
65.39528	2.1
69.12293	11.1
69.12696	4.5
70.06591	11.6
84.08113	3.5
85.02911	3.1
128.98581	2.3
137.05978	5.3
139.89914	2.5
169.13339	2.7
245.11302	2.5
296.98645	2.5
302.28424	2.5
363.05325	2.7
383.16681	2.3
612.30896	2.4
721.20923	100.0
722.21509	8.9
754.34192	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	722.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.9
61.18244	1.0
61.64950	1.0
64.26018	1.1
67.05487	3.0
75.95258	1.0
79.05479	1.5
81.07030	2.2
83.04980	2.3
85.91036	1.0
86.12735	0.9
91.05498	2.0
93.07037	4.3
95.04953	1.5
95.08619	1.7
97.06480	1.0
103.05382	1.4
103.43882	1.0
105.07012	2.3
107.08572	1.3
109.10139	3.6
121.06529	6.0
121.10093	1.7
123.11628	1.1
126.30135	0.9
129.00325	1.0
131.04897	3.7
133.10124	1.1
135.03873	1.0
147.04381	1.7
149.06010	3.1
152.99120	1.0
158.17445	1.0
159.04404	2.2
161.05925	1.2
162.03085	8.3
177.05432	1.4
189.05487	1.4
190.02608	16.5
193.04939	2.6
205.04950	100.0
206.05278	4.1
207.06537	2.6
217.04903	1.5
219.06563	7.1
227.07080	1.2
231.06531	1.8
233.08057	4.1
243.06499	3.6
245.08072	2.4
247.09634	2.0
259.09686	1.8
261.10962	1.1
271.09659	4.5
273.11093	2.3
275.12750	1.2
283.09610	1.5
285.11197	2.5
325.14322	2.0
327.15857	13.9
339.59769	1.3
343.15298	2.5
345.16895	6.5
456.75134	1.1
483.95633	1.1
653.29852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.3
69.07048	1.4
69.76492	1.9
69.76855	1.6
71.65371	0.8
79.05471	1.0
81.07059	2.5
83.01360	1.1
85.52297	1.0
91.05474	2.1
93.07047	2.4
95.08666	1.3
98.23409	1.1
104.78603	0.7
105.07048	2.8
107.08562	1.5
109.10143	5.1
119.08606	2.4
121.06516	5.6
121.10156	2.3
123.11693	3.0
123.12547	1.0
127.11275	0.8
128.40822	0.7
131.04919	2.7
133.10173	0.9
145.96518	0.9
147.04428	1.4
149.02425	0.9
149.05980	3.2
159.04430	1.2
161.05980	0.9
162.03107	9.1
177.05479	3.7
178.39806	0.8
184.07347	2.3
189.05402	1.0
190.02597	16.9
193.04968	2.2
195.08066	1.2
199.03899	1.1
205.04956	100.0
206.05305	3.3
207.06552	3.4
217.05177	1.2
219.06535	8.0
229.04941	1.0
233.08151	2.4
233.10895	0.9
243.06564	1.7
245.08159	1.7
247.09625	1.7
259.09702	2.4
259.89374	1.0
271.09494	4.7
273.11340	1.2
281.34424	0.9
283.09628	2.5
285.11261	3.0
299.12860	1.1
311.12943	2.0
313.14438	1.2
325.14337	4.9
327.15860	12.8
328.16327	1.0
339.16046	1.0
343.15497	1.2
351.15881	1.5
582.10699	1.1
653.30719	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	722.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	2.8
53.03942	6.0
55.01871	5.6
55.05508	9.8
57.03431	7.6
59.04998	2.3
61.02921	3.9
67.05495	39.4
69.03416	3.7
69.07056	6.4
71.04975	2.2
77.03935	2.0
79.05486	27.4
81.03395	12.7
81.07042	35.5
83.04970	16.0
83.08614	8.5
85.02897	4.9
85.06528	5.9
91.05463	29.8
93.07029	34.6
95.01313	2.4
95.04954	17.1
95.08609	12.7
97.02894	5.4
97.06520	13.6
99.00811	14.4
99.04469	3.0
103.05483	1.9
105.07012	17.2
107.04934	33.9
107.08576	19.3
109.02867	9.1
109.06474	5.3
109.10145	11.4
111.04424	18.8
111.08064	9.0
115.03944	2.5
117.07018	9.8
119.08567	16.4
121.06499	7.9
121.10126	31.1
123.04408	3.0
125.05962	2.9
127.03904	4.9
129.06992	5.0
130.07799	3.0
131.04872	2.5
131.08537	10.5
133.10120	24.0
135.08101	2.0
135.11658	24.9
137.05974	5.8
137.09610	11.3
143.08549	5.7
145.06465	7.7
145.10083	29.8
147.08047	3.8
147.11719	1.9
149.09613	5.1
151.11111	9.2
153.12730	7.2
155.08568	7.9
161.09583	13.4
163.11160	36.8
165.09067	13.7
171.08006	2.7
173.09599	22.6
179.10687	5.3
181.12196	11.5
189.09058	9.7
191.10619	15.8
204.25894	2.2
207.10144	3.5
209.11754	9.8
219.10164	8.5
225.11220	7.8
227.12743	13.6
265.14310	100.0
266.14572	3.8
281.13785	5.1
283.15359	63.8
284.15628	1.9
299.14853	47.2
299.18057	3.4
301.16388	49.0
309.13367	3.1
363.21497	2.0
431.47968	2.2
489.24368	6.6
507.25879	65.7
525.26880	88.9
526.27087	6.8
722.37756	1.9
723.37061	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	722.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.05496	13.2
57.03426	5.0
57.07069	3.7
61.02919	25.9
65.14043	1.8
67.05500	70.4
68.05810	2.8
69.03442	3.8
69.07077	17.3
73.02911	10.2
79.05486	35.6
81.07050	76.0
82.07335	2.1
83.08604	9.4
83.09082	2.5
83.78801	2.1
85.02889	25.2
90.68713	2.0
91.03952	23.9
91.05479	18.7
93.07037	51.6
95.04955	4.9
95.08597	64.0
97.02867	12.5
97.06512	3.7
97.10159	5.4
97.73170	2.1
103.69292	2.3
105.07024	14.8
107.08594	34.1
109.10148	38.6
111.08098	2.5
117.07005	8.8
119.08570	10.3
121.10126	31.0
123.11705	16.7
127.03908	7.6
131.08562	12.6
133.10115	12.4
133.73184	2.2
135.11685	27.6
137.13283	7.2
145.04967	10.5
145.10126	10.0
147.11665	7.6
149.13223	14.9
159.11688	8.0
161.13243	7.4
163.06017	25.8
163.14853	10.3
173.13170	11.4
175.14873	5.4
177.16393	6.3
187.14841	4.7
189.16460	4.9
193.15961	3.1
201.16228	4.1
216.05307	2.3
217.12949	2.5
219.17436	2.6
233.18925	2.6
247.20633	3.1
256.26151	2.4
261.25769	4.1
271.24283	18.3
279.54749	2.6
289.25214	100.0
290.25595	7.0
294.19876	3.0
363.28925	19.4
381.29938	54.3
382.30063	2.6
532.17194	2.6
552.59735	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.4
65.06382	0.4
70.03696	0.7
70.06583	0.9
72.08125	0.6
79.85870	0.4
84.08078	0.4
84.96007	0.5
88.46844	0.4
95.04991	0.4
98.22759	0.8
98.97565	14.6
108.51701	0.4
110.97566	1.2
112.99171	0.7
115.03930	1.4
116.98607	5.3
128.98611	1.3
134.99640	2.0
143.00186	1.1
146.99670	1.2
152.98654	1.2
158.99628	6.7
161.01253	0.8
170.99623	6.2
177.00685	6.4
189.00682	9.6
194.99667	1.4
201.00787	0.5
207.01717	3.2
213.00671	7.5
213.02489	0.4
219.01720	7.4
231.01707	3.7
237.02762	7.5
237.04927	0.7
243.13780	0.4
255.01826	2.5
255.04126	0.7
261.03110	0.5
273.02682	0.5
297.02603	0.5
315.03879	4.2
333.04871	16.6
351.05954	13.5
352.06406	0.8
375.06100	1.8
393.07050	3.7
453.09076	3.0
475.31729	0.4
513.11389	1.7
591.12244	1.2
609.13226	21.1
610.13922	1.0
723.17267	100.0
724.17786	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	723.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71078	0.6
70.11676	0.7
98.23512	1.4
114.21671	0.8
120.24146	0.7
125.27346	0.7
137.17334	0.7
137.99130	0.6
142.57013	0.6
221.10590	0.7
376.18228	1.0
387.17270	0.8
400.16794	1.7
401.17755	1.4
413.17667	2.1
414.18506	1.5
415.19202	6.7
417.20590	1.3
425.17676	1.4
427.19348	2.6
428.19940	2.1
429.20718	9.5
430.21799	4.8
431.22470	1.1
441.21274	1.6
442.21573	2.9
443.22739	3.7
444.23450	4.5
445.23837	0.9
456.19858	1.0
457.24435	7.8
458.25183	1.7
459.21591	3.8
460.21695	0.8
470.20386	1.1
471.17722	0.9
472.22742	3.5
475.24512	2.4
484.18680	1.2
485.23633	19.0
486.19873	3.9
487.24661	2.2
489.22870	2.6
497.23325	1.7
499.21234	1.0
500.22031	2.7
503.24323	4.8
513.22870	2.0
514.23218	0.8
515.24384	15.8
516.24371	1.4
531.23926	38.4
532.24164	2.8
541.22479	1.8
559.23334	12.6
560.23419	1.4
591.25958	100.0
592.26532	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	724.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.0
69.03423	3.2
69.17690	2.1
69.18096	4.3
71.04986	1.4
75.54366	1.2
81.03382	1.6
85.02890	14.2
97.02872	2.5
101.77673	1.0
109.02879	1.4
127.03898	3.1
132.04451	4.2
133.05237	7.5
145.04956	1.3
145.08582	1.9
148.07561	4.0
160.03914	36.3
161.46913	1.2
164.07040	1.1
177.04134	1.2
177.05521	1.3
178.04947	11.7
192.06523	100.0
193.06880	1.9
242.83444	1.1
247.77626	1.1
354.11749	3.4
457.06671	1.1
520.31635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01862	7.6
55.05499	7.8
57.03429	15.4
60.01855	2.7
67.05492	52.0
69.03431	6.5
69.07059	10.0
71.04984	14.4
73.02940	2.4
73.09524	2.5
79.05479	50.3
81.03403	31.8
81.07051	41.5
83.04977	24.4
83.08611	10.4
85.02904	8.5
85.06532	4.4
91.05467	30.6
91.19614	2.6
93.00044	2.2
93.07030	43.8
95.01354	3.8
95.04961	29.4
95.08601	17.0
97.02897	4.6
97.06493	15.0
98.32755	2.4
99.00800	4.3
99.04465	6.4
105.04462	2.7
105.07004	20.0
107.04939	55.7
107.08577	27.0
109.02878	4.1
109.06513	6.5
109.10155	9.0
111.04430	26.4
111.08067	6.8
113.05988	3.5
117.07024	13.3
119.08562	25.0
121.06516	7.2
121.10120	39.6
125.09610	2.7
127.03894	3.5
127.07550	3.5
129.06984	7.6
131.04871	4.3
131.08566	15.6
133.10089	15.9
135.08067	3.3
135.11679	41.5
137.05988	12.9
143.08540	5.9
145.06477	10.0
145.08592	25.4
145.10107	57.3
147.08009	5.7
149.09625	8.2
151.11110	3.0
153.12698	10.9
155.08574	14.9
157.10191	3.7
161.09581	6.3
163.11157	66.2
163.12450	5.3
169.57298	2.7
173.09592	34.4
181.12132	13.1
189.09241	5.1
191.10619	19.5
193.12193	8.5
209.11720	9.2
219.13744	4.4
227.12683	20.5
265.08447	4.2
265.14307	100.0
267.15802	23.4
283.15378	60.9
299.14960	17.6
301.16360	61.7
325.10818	3.9
337.10638	3.7
349.22803	2.8
376.74683	3.1
445.25806	8.1
463.26431	3.4
473.25311	35.9
491.26312	66.2
492.27200	4.9
509.27420	32.1
527.28442	68.0
724.36804	9.2
725.38806	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	724.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.6
55.05503	13.1
57.03424	13.1
66.72346	3.4
67.05510	22.8
67.05798	4.5
69.07062	4.6
69.47071	7.3
69.47430	14.2
71.04977	6.7
74.04113	4.0
79.05487	23.6
81.03405	81.9
81.07056	21.6
83.04969	12.8
83.08598	22.6
85.02899	13.0
91.05469	30.7
93.07037	20.3
95.04951	26.7
95.08579	9.5
97.06506	6.4
97.10171	6.1
105.07037	20.3
107.04942	8.6
107.08557	8.4
109.06506	4.7
109.10180	5.6
111.08066	8.0
119.08553	18.0
121.06483	6.3
121.10100	5.0
129.06976	13.2
131.08543	11.3
133.06473	5.0
133.10126	6.8
145.10104	3.6
147.08017	5.1
147.11650	10.9
149.09595	6.1
157.10129	12.7
163.11192	4.2
165.12695	4.1
175.11160	16.3
193.12221	30.4
194.27272	3.4
194.30612	3.2
211.13272	10.4
237.37534	3.4
267.15872	100.0
283.15445	5.8
285.17001	12.5
356.93582	4.0
367.22638	7.2
385.23694	9.2
433.25925	12.5
441.26328	4.5
459.27356	72.1
477.28488	35.1
519.28943	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	725.1856
Annotation	Itoside N
Peak:m/z	Relative Intensity
53.51293	0.1
63.91727	0.1
65.03931	0.3
67.01852	0.6
68.99756	0.5
69.03394	0.1
69.69656	0.1
81.03404	0.1
82.48794	0.1
91.05461	1.9
99.85104	0.1
107.67927	0.1
119.04922	4.9
120.05248	0.1
121.02850	0.7
122.86934	0.1
125.02305	0.1
127.91538	0.1
129.01814	0.1
145.02831	0.7
147.04381	9.5
148.04724	0.2
153.01801	5.4
154.02078	0.1
163.03888	0.5
169.06390	0.1
171.02869	0.6
187.03908	0.2
197.05974	0.1
203.06993	0.2
225.05412	0.4
229.04988	0.3
243.06430	0.4
247.06067	0.2
253.05002	0.1
271.05951	100.0
272.06302	3.6
301.15329	0.1
359.34497	0.1
455.13419	0.1
725.17847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1854
Annotation	Apigenin 7-(3'',6''-di-p-coumarylglucoside)
Peak:m/z	Relative Intensity
51.02376	0.1
52.02276	0.1
55.04676	0.2
57.87154	0.1
59.77629	0.1
63.02357	0.2
65.03921	1.8
67.01863	0.4
68.99794	0.4
71.07288	0.1
74.87021	0.1
81.03416	0.2
91.05470	13.2
92.05794	0.2
109.02863	0.2
119.04927	28.0
120.05250	0.4
121.02854	0.7
145.02835	1.3
147.04387	100.0
148.04715	1.8
153.01790	4.7
163.03873	0.5
165.05466	0.9
171.02872	1.3
203.06984	0.4
222.36195	0.2
225.05373	0.8
229.04807	0.2
243.06519	0.5
271.05963	86.1
272.06314	2.6
291.08517	0.2
305.41678	0.2
309.09619	0.2
381.12982	0.4
455.13177	0.6
517.30487	0.2
579.14606	0.6
725.28448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68443	0.4
57.42988	0.4
60.67926	0.5
69.03413	1.1
71.40907	0.4
79.28916	0.4
84.08084	0.4
85.02900	1.0
86.09705	0.6
91.05454	0.6
93.04465	0.4
95.01121	0.8
107.04990	0.7
112.01348	0.7
113.02129	1.0
115.03956	1.3
137.06003	1.9
145.02832	0.5
147.04401	0.6
149.05948	0.7
151.07503	0.5
157.04753	0.5
157.44742	0.5
159.04140	3.2
161.05963	0.6
177.05516	1.6
179.07109	0.5
185.04256	1.9
189.13593	0.4
201.03729	0.6
202.06047	0.7
203.05240	6.1
233.07707	0.6
252.09499	0.7
337.12573	1.8
351.10669	1.4
365.12082	2.5
366.12836	4.2
367.13641	1.7
402.78482	0.6
515.18854	7.5
545.19867	2.9
563.21118	0.7
725.26166	100.0
726.26636	6.0
743.05103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
55.05506	2.1
57.03421	2.3
61.02902	2.1
67.05495	5.2
69.03423	14.6
69.07041	2.3
69.46464	6.5
71.04980	3.6
71.49420	1.5
73.02906	3.9
79.05473	9.9
81.03400	21.5
81.07050	83.3
83.04963	3.8
85.02896	51.9
87.00806	6.7
91.05467	2.2
93.07006	2.8
95.04948	1.5
95.08599	14.2
97.02882	33.3
99.04452	30.1
103.03925	41.2
105.01841	11.0
109.02869	39.9
111.04408	2.4
123.04338	2.7
127.03899	100.0
137.05972	1.5
137.13240	9.4
145.04944	39.4
147.04430	1.8
151.03856	3.7
163.06013	24.2
163.90443	1.5
169.04933	2.9
172.22536	1.4
181.04936	2.2
187.05992	9.3
187.07489	1.9
189.03757	1.5
205.06969	2.2
211.05894	1.5
213.03925	8.3
227.43163	1.7
229.07060	5.8
231.04965	8.5
235.05972	2.9
247.08145	3.0
249.05991	3.4
250.60460	1.4
253.06969	8.2
271.08118	13.0
273.05957	2.3
289.09152	8.5
307.10275	12.0
313.09238	2.3
339.06931	2.3
349.23502	2.1
357.08090	4.5
360.51874	1.5
375.09091	2.3
393.10245	2.5
411.11011	1.8
417.10324	3.5
454.53400	2.1
465.10205	1.9
483.11383	2.7
501.12546	7.9
519.13239	11.9
537.13806	1.7
727.30542	6.1
747.93805	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38417	5.5
55.05497	6.8
56.48683	4.8
57.03415	5.5
67.05495	39.3
67.40717	5.4
69.07036	14.9
71.43629	4.8
79.05489	30.3
79.05885	5.1
81.07050	47.5
81.31670	4.8
83.08593	5.8
91.05486	10.5
93.07025	41.6
95.08602	23.2
97.06502	8.0
105.06995	8.6
107.08584	25.9
109.10178	5.5
121.10128	17.3
131.08545	8.4
133.10091	6.4
135.11655	7.2
149.13240	18.9
149.30576	4.7
159.11681	9.4
173.53358	4.6
195.13701	7.2
249.96124	5.4
269.17401	89.0
335.25824	53.7
395.43768	5.5
529.30890	6.6
529.38831	100.0
597.88489	5.7
726.43848	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	727.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24340	24.2
70.06595	15.3
78.40856	5.6
84.08142	6.5
98.23428	11.5
119.04789	5.0
138.95959	4.5
172.50616	4.5
202.30634	5.0
213.07295	97.5
375.12601	100.0
727.26135	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	727.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86140	2.1
53.17701	2.0
54.52834	1.8
57.11591	1.7
60.37030	1.9
60.47405	2.2
67.08169	1.8
76.99991	2.0
86.09702	4.6
98.23505	4.9
102.37523	2.1
124.99993	3.1
164.15681	1.9
184.07315	12.9
205.08351	2.0
244.01279	3.3
285.80463	2.0
313.10052	2.0
334.89075	2.2
338.83011	2.2
339.33865	1.9
351.15463	2.8
367.09320	39.1
367.13614	5.1
382.11679	13.5
383.12283	17.4
399.12527	4.4
399.17810	17.9
470.08966	2.5
529.69757	1.9
625.18335	5.1
643.19220	11.7
681.23883	4.8
695.26141	100.0
696.26428	8.2
709.27521	5.3
710.28290	3.1
727.29370	42.5
728.30011	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	727.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64950	0.4
69.55669	1.1
78.85783	0.5
102.77017	0.5
114.33099	0.5
176.02043	0.5
209.69577	0.5
259.07837	0.6
300.69839	0.5
304.60770	0.5
315.74844	0.5
347.09543	1.7
409.26663	0.6
565.33374	19.0
566.33813	1.3
622.27435	1.1
727.38623	100.0
728.38824	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	728.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01004	0.6
53.26869	0.6
54.42451	0.6
55.01878	0.7
55.02187	0.6
59.46461	0.6
61.15918	0.7
66.74319	0.6
67.05482	1.3
69.03415	2.6
70.00393	0.6
71.04980	38.1
73.02900	1.0
79.05456	0.7
81.03394	3.7
85.02889	2.4
85.06535	5.5
91.05445	1.9
93.03407	1.0
94.04159	3.0
95.04961	1.9
97.02877	2.8
98.23415	2.0
99.04441	1.0
103.05430	3.5
105.07027	0.9
107.04902	1.3
109.02876	2.8
109.06511	2.2
111.04436	1.1
113.05978	5.8
115.05423	2.5
117.07014	0.7
119.04931	1.0
119.08521	0.9
122.03632	5.2
125.05968	2.1
127.03914	3.4
127.07534	18.4
128.06207	2.3
129.06982	12.2
131.04926	7.5
131.07014	7.7
131.08531	1.4
137.05956	100.0
138.06279	2.0
141.07018	0.8
143.04909	2.0
144.05675	3.0
145.04950	1.7
145.08574	95.2
146.08911	1.4
149.05972	1.6
151.03896	0.8
151.07515	2.7
153.05452	3.3
155.07080	1.5
156.05640	0.9
157.06465	10.6
158.07170	1.4
160.05183	5.1
161.05951	1.7
163.07481	3.8
165.05402	0.8
169.06422	0.8
171.08035	0.9
172.05116	4.6
173.05965	0.8
173.08076	1.7
174.06726	6.1
175.07516	38.6
176.07915	1.1
179.05598	1.0
179.07069	0.8
185.07993	0.8
187.07507	69.0
188.08075	2.3
189.09064	21.6
190.09326	1.1
191.07152	0.8
191.09135	4.7
199.07494	3.0
201.09123	2.3
203.08498	2.3
205.08568	5.3
207.10083	1.1
211.07443	1.7
217.08574	13.6
219.07999	3.7
219.09941	0.8
220.08864	1.1
225.08977	0.9
231.08043	4.2
233.05911	0.8
237.09113	0.8
239.06889	1.1
240.07735	1.0
247.07466	6.1
248.08287	4.2
251.10666	3.4
255.06461	1.5
257.09995	1.7
259.07428	1.1
260.08218	0.9
261.09146	2.0
263.10684	5.7
264.07846	1.5
265.08521	2.4
270.08801	3.5
271.09579	4.0
272.49673	0.7
275.11212	3.4
276.07794	2.8
277.08566	2.5
279.10098	7.1
280.10709	1.4
281.07968	0.7
283.09546	2.8
291.10092	12.6
292.10464	1.1
293.07886	2.2
296.10315	3.0
297.11203	1.6
299.11246	1.0
307.09644	1.2
308.10339	1.1
309.11029	2.1
311.12701	30.5
312.13126	0.8
313.14188	1.9
317.12198	1.0
321.11111	1.0
323.12762	23.5
324.13303	1.1
325.14304	3.1
329.13870	3.8
333.11462	1.1
335.13184	2.3
339.12131	0.8
341.13788	54.6
342.14130	2.4
353.13742	2.6
359.14722	1.2
395.14771	1.2
397.27371	0.8
419.14694	2.7
437.15659	2.5
497.18130	1.2
530.91748	0.8
609.22876	1.4
627.23743	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	728.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.5
52.93224	1.3
55.01860	4.6
65.03932	4.7
67.05502	5.1
69.03410	5.8
70.06588	1.7
71.04625	2.8
71.04986	35.1
71.44315	1.5
77.03912	2.5
79.05490	7.4
81.03395	4.7
81.07032	4.1
85.02895	8.6
85.06529	6.7
91.04931	3.1
91.05470	34.0
93.07032	4.0
94.04231	2.2
95.04967	8.2
95.08637	1.6
97.02866	3.9
99.04463	3.3
103.03957	2.7
103.05453	41.9
105.03371	6.2
105.07018	23.5
107.04951	5.1
107.08535	2.1
109.02872	3.2
109.06506	5.6
109.10125	4.6
113.05985	6.1
115.05453	5.3
117.06966	2.0
118.02711	1.5
118.80053	1.5
119.04926	41.4
119.08565	3.4
121.02876	1.9
121.10105	3.5
122.03640	2.4
123.08055	2.9
127.03909	4.8
127.07540	18.6
129.07034	1.6
131.04909	83.0
131.06950	8.8
132.05144	1.9
133.02837	45.6
133.06471	19.7
135.08052	2.5
135.11659	1.6
137.05959	55.3
137.07011	3.4
137.09583	5.1
143.06006	3.5
145.04961	3.4
145.08574	100.0
146.07188	1.5
146.08934	2.8
147.04356	12.6
147.08012	3.6
149.05960	5.8
151.03909	2.9
151.07498	17.4
155.01920	1.6
155.07051	3.5
161.05959	53.4
161.09715	1.8
162.06639	5.2
163.03873	3.8
163.07515	47.4
165.05460	26.1
165.06808	2.8
165.09090	2.0
167.06956	2.7
173.08083	5.8
175.07510	13.1
177.05455	2.0
179.07008	19.3
187.07486	11.1
189.08981	2.5
191.07054	2.6
191.09099	5.0
203.06961	3.6
205.08574	7.4
215.07013	2.7
217.08601	4.1
219.08102	3.0
225.09019	1.5
229.08559	2.5
231.08073	2.2
233.08000	3.7
233.10184	1.9
235.09586	1.7
247.07434	2.0
249.18469	3.2
251.10495	2.2
257.08020	3.9
275.11493	7.0
279.10175	3.4
291.10159	4.2
309.11069	4.5
311.12631	8.6
323.12830	3.1
329.13748	4.3
341.13797	6.9
411.23785	2.5
435.12213	1.6
450.13959	1.5
548.00702	1.7
617.68573	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43123	0.8
53.01860	0.8
55.01877	1.6
58.87544	0.9
67.05498	3.0
69.03423	2.9
69.07070	1.5
71.04983	17.5
79.05482	2.5
79.81630	0.8
81.03408	3.0
81.07041	2.6
83.04930	1.0
85.02888	2.3
85.06542	3.4
91.05479	3.6
93.07050	2.0
94.04198	1.3
95.04969	3.0
95.08602	2.3
97.02902	1.4
97.10194	1.0
99.04424	1.5
103.05461	5.3
105.07001	2.7
107.04941	2.1
107.08614	1.8
109.02890	1.5
109.06522	3.6
109.10172	1.1
111.04428	2.7
113.05988	3.2
115.05403	2.5
117.06994	1.4
119.04980	1.4
119.08588	1.2
121.06509	1.7
121.10152	1.3
122.03619	6.5
125.06006	1.5
127.07555	8.1
128.06223	3.0
129.06996	13.9
131.04909	14.1
131.07018	3.8
131.08568	1.9
133.02827	1.7
133.10173	1.1
135.11707	1.3
137.05962	100.0
138.06300	3.7
143.04916	1.2
145.06610	1.8
145.08582	48.8
146.03648	1.2
147.04346	1.5
147.08058	1.2
147.81635	1.0
149.05986	2.1
149.09593	1.8
151.03860	1.7
151.07520	4.3
153.05461	4.5
157.06464	14.2
160.05244	4.9
161.05959	4.4
163.03906	2.0
163.07535	8.3
165.05516	1.5
165.09024	1.4
167.07011	1.7
172.05182	2.1
174.06662	5.1
175.07527	22.8
177.05440	1.0
177.09087	1.4
187.07521	31.8
189.09085	19.7
191.08986	4.0
191.14244	1.0
199.07553	1.2
201.09181	2.1
203.08521	2.7
205.08577	3.5
207.10216	1.5
211.07501	1.5
217.08597	10.9
219.08054	3.9
219.13818	1.3
231.08040	3.3
235.09546	1.1
236.08377	1.0
240.07777	1.6
247.07521	2.6
248.08418	2.4
251.10469	1.4
255.06598	1.6
256.07425	1.1
259.07355	1.8
263.10706	4.8
264.07687	1.0
265.08676	1.3
267.15836	1.0
270.08862	4.0
271.09558	4.4
275.11316	0.9
276.07678	1.8
277.08493	2.3
279.10052	5.3
283.09641	2.7
291.10089	9.3
296.10422	1.4
297.11203	1.2
309.11057	1.4
311.12750	15.3
313.14255	1.2
314.48611	1.0
323.12747	15.6
325.14526	2.0
329.13998	1.5
333.20697	1.2
341.09561	1.5
341.13782	28.5
342.14273	1.9
351.21582	2.5
364.26465	1.0
396.15100	1.1
419.14865	2.4
437.15710	1.4
459.27316	1.5
477.28314	3.3
497.18134	1.4
728.30884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57684	0.5
69.01187	0.6
69.78287	1.8
70.06625	0.7
84.96101	0.7
88.01706	0.6
95.04995	0.6
98.23440	0.6
98.97598	0.9
131.04982	0.6
135.23396	0.7
137.06055	1.7
139.37930	0.6
163.03940	0.6
165.09187	0.6
167.07100	0.6
185.32570	0.6
205.05013	0.7
339.12283	0.6
395.06476	0.9
423.13684	0.7
437.07825	2.4
567.14679	100.0
568.15002	5.2
631.99573	0.6
684.41693	0.6
729.19745	50.1
730.19757	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	729.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83760	9.7
69.84113	4.7
138.43346	3.0
152.60371	3.7
160.01355	3.6
198.51074	3.3
228.04063	3.8
325.10428	4.9
328.09052	7.6
350.51254	3.3
365.13596	13.5
367.15009	3.4
369.16663	100.0
369.21292	5.8
370.17001	6.0
383.14615	16.9
729.32452	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	729.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31049	0.8
54.09874	0.9
69.92696	2.6
81.51572	0.8
99.25880	0.9
119.20536	1.0
124.64455	0.9
187.97163	1.1
203.05351	2.2
259.07910	3.5
269.63898	1.0
288.90277	1.0
331.10040	1.3
347.09576	2.9
365.10568	3.5
405.22552	2.4
421.13248	1.5
469.20853	1.1
567.27698	16.0
568.28198	1.6
618.02563	1.2
729.32941	100.0
730.32849	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	729.366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49534	1.5
57.03426	3.3
61.02924	4.8
67.05517	2.8
69.03430	3.2
69.12483	10.7
73.02920	2.6
77.95483	1.5
79.05497	1.9
81.07068	3.9
84.52667	1.6
85.02915	3.7
91.03955	2.0
91.05478	4.4
93.07063	1.8
95.04992	2.6
95.11461	1.4
97.02902	3.9
105.07089	2.3
107.08611	2.7
108.91706	1.3
109.02895	1.6
111.36754	1.6
116.12859	1.9
119.08594	2.9
121.10133	1.9
129.06949	2.4
131.08568	2.4
132.37579	1.7
137.05986	4.9
142.10513	1.4
149.09601	1.8
161.06013	1.5
175.11221	2.0
187.07704	2.1
193.12199	1.6
243.08563	2.8
254.32120	1.7
283.15189	3.0
381.62146	1.8
469.20615	10.4
501.23096	9.4
729.36603	100.0
730.36774	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	730.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01831	0.8
57.03437	1.0
57.19697	0.8
59.36774	0.6
60.58698	0.7
61.02912	1.9
65.03918	1.0
69.03410	3.2
69.24590	4.7
73.02921	0.8
79.05479	2.7
81.03398	5.6
81.07012	1.2
85.02896	11.3
86.09689	1.1
91.03922	1.0
91.05452	2.3
94.04142	1.4
95.04951	2.9
97.02863	2.5
100.21731	0.8
103.05457	1.3
105.07015	1.6
107.04945	7.5
109.02831	1.3
109.06483	1.1
115.05442	10.7
116.84672	0.7
117.07007	11.6
119.04902	1.2
122.03607	3.8
123.04407	2.6
124.05212	1.9
125.05923	1.1
127.03877	2.4
128.06172	1.8
129.06964	6.2
129.07770	0.9
131.04892	4.1
131.08525	2.4
132.05678	1.0
133.02856	0.8
133.06476	1.3
135.89078	0.8
137.05960	73.9
138.06293	1.5
141.06976	0.7
143.04910	9.4
144.05649	3.5
145.05023	2.0
145.06462	28.5
147.04295	1.3
147.07980	1.4
149.05942	0.9
151.03845	1.2
152.04652	1.8
153.05426	1.6
155.06000	4.6
155.07085	1.1
156.04364	1.1
156.05666	4.2
157.06467	5.6
159.08063	4.6
160.05183	13.9
161.05936	6.0
162.07526	1.1
163.06099	0.8
163.07527	1.1
167.07022	34.2
172.05183	3.2
173.05965	47.5
174.06689	2.9
175.07520	100.0
176.07872	3.1
177.05432	1.7
177.08981	0.8
180.08667	4.6
183.06477	1.5
184.05159	0.9
187.07509	38.9
188.07932	1.5
189.09103	6.1
190.04521	1.0
190.06219	18.8
190.07855	1.1
191.06990	1.8
193.08627	1.7
193.22655	0.7
195.06564	0.8
199.07475	1.0
202.06203	2.0
203.06941	5.7
203.08354	0.7
204.07719	1.2
205.08578	94.2
206.07230	0.9
206.08952	2.4
215.06877	0.9
217.08562	35.4
218.08978	1.3
219.08104	1.1
219.10110	3.1
221.09705	1.2
223.09578	1.2
226.06317	1.1
229.78639	0.8
231.08052	0.9
233.09671	1.9
234.06668	1.6
235.07590	2.2
235.09608	56.7
236.10068	1.2
239.06953	2.0
241.08496	3.6
247.09608	8.4
249.09029	3.7
250.09824	1.0
251.10561	0.8
260.08282	1.0
261.09073	4.7
265.10684	48.6
269.08087	1.1
277.08548	3.8
278.09280	3.1
279.06604	0.8
279.09949	1.0
281.11710	2.5
285.07471	5.4
286.08276	0.9
289.08624	2.0
293.11646	3.7
294.08771	1.3
300.09915	8.1
301.10529	3.1
306.08981	1.3
307.09445	1.7
309.11060	4.2
310.12372	0.9
313.10562	1.3
321.11053	5.1
323.09235	0.9
326.11450	1.4
338.11365	1.2
338.70557	0.8
339.12268	1.7
341.13815	10.4
353.13766	16.1
354.14041	1.8
371.14835	38.3
372.15271	1.8
388.14316	0.9
410.26355	0.8
538.20099	1.1
542.71771	0.9
686.23798	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	730.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03435	3.3
60.04518	1.5
61.02901	1.4
65.03922	0.8
69.03421	4.0
70.06573	1.7
72.04488	2.2
72.65577	0.6
73.02539	0.8
73.02907	8.8
77.03947	0.6
79.05470	3.8
81.02962	0.9
81.03407	13.0
81.45906	0.6
84.04497	1.0
85.02897	10.4
86.09687	1.8
91.05460	3.0
93.06997	0.9
95.04943	2.5
96.04487	0.9
97.02882	4.1
102.04662	0.6
103.05461	1.0
105.07015	1.7
106.04157	0.7
107.04932	8.1
109.02940	0.7
115.03905	2.9
115.05416	5.4
117.06999	15.6
118.04117	0.6
119.08578	0.7
121.02820	0.9
121.06505	0.7
123.03626	0.6
123.04383	3.5
124.05179	1.9
125.05962	0.8
127.03886	1.3
128.06184	1.3
129.06990	2.8
130.00964	0.5
130.04097	0.8
131.04889	1.8
131.08557	3.3
132.05673	1.0
132.06551	5.6
133.04951	1.3
133.06464	0.9
137.05956	2.2
141.06973	1.3
143.04987	0.9
144.05666	2.9
145.05125	1.4
145.06465	36.8
146.06798	0.9
147.04364	1.3
147.07954	1.7
149.05963	0.6
150.07613	8.4
152.04665	1.8
153.05432	0.8
155.04860	1.2
155.06010	6.5
155.07094	0.9
156.05629	5.7
157.06461	2.9
159.08049	5.1
160.05145	0.6
161.05923	4.3
162.07635	0.8
163.03877	0.8
163.07559	0.7
167.07014	43.6
168.07312	1.2
169.06412	0.9
169.07695	0.8
172.05186	1.0
173.05959	67.2
174.06396	2.0
175.03857	0.7
175.07527	2.8
177.21072	0.5
180.08664	2.5
181.04874	1.6
181.08467	0.7
183.06499	0.8
184.05170	2.7
187.07513	7.1
190.06227	41.6
191.06885	2.4
193.08591	1.6
202.06215	4.6
203.06984	7.0
203.08679	1.0
205.08577	100.0
206.08968	3.6
207.06439	0.8
208.05063	0.8
215.06972	1.1
217.08563	43.2
218.08896	1.3
219.08049	1.5
219.10158	3.8
220.08650	0.7
223.09576	2.6
231.07985	0.8
235.09605	30.3
247.07457	1.9
247.09657	7.4
248.08302	2.4
261.09045	1.1
263.10675	1.0
264.07773	1.1
265.10687	48.3
266.11093	1.3
269.08017	1.7
271.09647	1.4
276.07660	0.8
277.08478	0.9
279.10098	1.2
290.09253	1.0
291.10107	1.9
292.07056	0.7
293.08090	1.2
295.09717	0.6
307.09503	1.1
308.10208	0.8
310.08481	0.7
311.12686	0.8
315.08636	4.3
316.08942	0.6
319.09189	0.8
321.11044	0.7
323.12787	1.9
330.10910	6.6
331.11719	3.3
337.10571	0.8
339.12405	1.3
342.27094	0.7
351.12213	3.2
353.10199	0.9
371.15027	3.4
371.18994	0.9
383.14844	12.1
401.15863	17.9
402.16156	1.2
442.07910	0.6
464.78644	0.6
509.89117	0.6
735.82202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01866	1.0
57.03431	1.6
57.68874	0.8
61.02368	1.0
63.45929	1.0
66.04720	0.9
67.05496	2.5
69.03416	2.8
71.04985	39.2
71.43676	1.1
79.05476	2.2
81.03412	4.3
81.07034	1.0
85.02882	6.8
85.06544	7.6
91.05464	9.0
93.07046	1.4
94.04173	1.8
95.04964	6.9
97.02881	4.8
103.03942	1.9
103.05447	8.6
105.07024	5.9
107.04947	11.5
109.02885	3.5
113.05984	9.8
115.05420	2.1
119.04945	7.2
121.06499	3.0
122.03635	1.5
127.03890	3.6
127.07545	23.5
129.07001	3.3
131.04901	15.7
131.07011	9.5
131.08638	1.6
133.02838	1.8
133.06491	3.6
135.04471	1.2
135.08054	3.5
137.05965	31.7
141.05452	6.1
141.06996	1.1
143.04980	1.1
145.04948	2.5
145.08575	100.0
146.08955	2.2
147.04399	4.2
148.05089	1.2
149.05948	4.7
151.03899	3.4
151.07516	14.8
155.07039	7.0
157.06502	2.0
161.05957	29.0
161.09602	7.5
162.06818	2.1
163.03897	1.1
163.07535	20.3
165.09209	1.1
167.07039	3.2
167.08417	1.6
169.06454	1.7
173.08090	8.9
174.06711	2.0
175.07562	6.6
177.05418	2.6
177.09032	1.5
179.07039	2.0
181.08614	3.1
187.07555	1.7
189.05467	1.5
189.09071	16.8
191.07185	6.5
191.09050	7.9
195.07993	2.5
195.10132	1.3
197.06046	2.2
201.05450	1.1
201.09247	1.5
203.06999	8.2
203.10765	1.3
205.04875	1.3
205.08510	2.2
207.06418	1.3
207.08275	1.7
207.10123	14.4
215.07031	6.0
215.08858	1.6
219.10197	3.4
221.05843	1.1
221.07858	1.1
223.07581	1.8
227.10640	2.9
229.08511	4.1
233.08044	8.1
235.07547	1.1
237.09193	1.3
247.09778	1.1
249.11259	1.6
253.08418	1.4
253.12366	1.1
255.10022	2.3
257.08078	6.6
257.10291	2.6
265.08484	2.1
267.10172	1.1
269.11719	1.1
271.05853	1.8
273.11246	1.5
275.08926	3.4
275.11456	9.8
285.11331	0.9
287.12857	4.8
291.12119	1.4
293.10199	3.5
297.11359	1.4
311.12665	3.8
313.11206	1.2
313.14279	5.8
317.12231	3.3
331.15399	11.1
333.94940	1.0
335.13287	2.3
343.15317	2.3
421.15842	1.1
465.17599	2.9
507.57031	1.1
730.28674	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	730.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69378	1.6
52.41142	1.4
53.03942	2.1
55.05500	10.4
57.03444	7.5
61.02917	3.5
62.06078	7.0
67.05158	2.5
67.05496	41.8
69.03417	2.1
69.07052	9.5
71.04989	14.0
72.29185	1.5
77.61387	1.6
79.05479	30.5
81.03423	1.6
81.07048	28.5
82.75655	1.4
83.04967	2.9
83.08620	3.5
84.93381	1.5
85.02882	3.8
91.05478	16.5
93.07032	40.6
95.04958	5.5
95.08593	100.0
96.08919	2.2
97.02901	2.7
97.06526	3.4
97.10182	3.6
101.02398	1.7
105.07005	10.7
107.08583	13.0
109.10116	7.7
117.07011	3.1
119.08624	8.4
121.10133	19.8
123.08055	9.9
123.11674	2.4
125.09635	3.3
129.07004	2.2
129.88347	1.4
131.08545	10.1
133.10109	8.2
135.11691	7.2
141.09099	3.6
145.10121	5.0
147.11662	5.4
149.09610	2.3
149.13245	4.5
149.17857	2.0
159.10123	5.9
159.11656	3.3
161.13229	2.3
167.10681	2.6
181.12260	1.6
185.13322	2.0
199.13222	3.3
241.14265	3.0
245.29115	1.6
261.22089	3.5
273.16986	19.0
289.77527	1.8
335.25827	20.1
341.68396	1.8
359.25644	1.8
383.29599	3.1
457.32825	5.2
475.34171	77.3
476.34195	3.1
489.35611	1.9
501.35437	9.1
533.38287	41.2
559.23071	2.6
619.25433	3.0
641.23438	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	730.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31211	0.8
53.03954	2.6
55.01868	1.0
55.05503	16.9
57.03428	8.7
57.07064	3.1
58.46603	0.9
59.05009	1.0
61.02915	3.0
65.03931	2.7
67.05495	74.0
69.03429	2.5
69.07055	9.0
71.04985	23.1
73.02882	1.8
79.05480	56.2
81.03416	3.0
81.07046	98.8
82.07368	1.5
83.04970	3.6
83.08611	8.9
85.02901	3.9
85.06532	10.0
91.03967	1.9
91.05469	34.3
93.07033	60.7
95.04948	7.7
95.08594	23.7
97.02878	2.8
97.06544	4.6
97.10171	2.4
99.08090	2.9
103.05394	1.2
105.04507	2.1
105.07018	19.6
107.08576	19.0
107.88409	0.9
109.06481	2.0
109.10122	11.4
111.08092	1.9
117.07004	5.0
119.08565	9.2
121.10126	31.2
123.08032	1.7
123.11687	16.8
125.09647	1.3
131.08546	9.8
131.24582	1.1
133.10110	24.5
135.11652	8.6
137.09503	1.0
137.13165	1.0
145.10112	4.8
145.84554	1.2
147.11681	4.4
149.13239	5.5
151.11176	8.5
159.11670	7.2
169.22134	0.9
171.11647	1.8
173.13260	3.5
177.12756	1.9
183.13843	3.1
187.13237	3.3
195.13812	2.0
215.17982	4.6
233.18852	2.4
243.15930	1.4
269.17368	6.4
272.84262	1.0
301.20062	14.1
307.22656	38.4
308.22964	2.0
335.25870	1.6
383.29211	1.3
457.33289	2.9
475.34125	90.9
476.34479	8.1
489.35532	5.0
501.35611	11.4
533.38312	100.0
534.38507	7.7
657.81909	1.2
698.84442	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76862	0.4
68.06994	0.4
69.13615	1.5
69.14034	1.5
69.19019	0.4
69.71463	0.5
70.06591	0.5
71.04994	0.8
81.07054	0.8
85.02901	0.8
85.06535	0.6
91.05495	0.7
93.07064	0.5
109.10165	0.5
111.36233	0.5
137.06003	1.1
145.08669	0.7
155.26151	0.4
205.93433	0.4
207.75015	0.5
357.11371	0.8
358.68051	0.4
731.23096	100.0
731.33313	3.8
732.23486	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	731.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06544	0.7
70.32583	1.8
82.71523	0.7
83.45766	0.7
85.02923	0.7
86.06065	0.6
91.22106	0.7
116.98642	1.4
137.73158	0.8
163.03889	1.6
182.29958	0.7
183.67935	1.0
347.91028	0.9
392.45682	0.8
549.77441	0.8
569.29321	3.6
641.30536	0.8
641.45807	0.8
731.22607	100.0
731.34467	20.4
732.23376	7.5
732.35144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26661	2.0
55.47159	2.0
59.64629	1.9
67.05498	3.2
69.26474	9.2
70.05118	1.8
79.05472	2.2
80.93129	1.9
81.07045	2.4
94.06544	3.1
96.08138	2.9
108.08101	7.7
109.02858	3.4
110.09671	3.4
120.08076	4.2
122.06001	3.9
124.07571	4.3
136.07562	9.0
138.09113	5.1
148.07591	3.2
166.08617	7.0
174.09128	2.7
202.07295	3.5
203.08142	6.6
204.10213	5.7
213.10251	5.3
225.10208	10.2
226.10947	2.9
227.11731	3.6
237.10231	2.7
238.11078	6.3
239.08223	3.3
239.11748	3.6
241.09654	31.4
253.09663	50.0
254.10231	4.0
255.11127	9.9
265.09625	13.8
266.10419	19.2
267.11224	37.8
268.11963	5.9
274.43390	2.1
278.10410	3.1
281.09268	2.8
282.09863	3.1
283.10767	5.2
293.09131	6.0
294.09683	2.6
295.10703	22.4
311.10403	2.7
313.11884	5.0
344.13568	3.2
346.15195	2.9
350.18979	2.1
358.15558	4.8
360.17096	3.3
373.13666	2.6
374.14844	4.7
376.16687	2.4
378.17920	15.6
388.16556	10.0
400.16739	2.9
404.15939	8.4
406.17587	60.4
407.17685	2.6
418.17609	3.3
419.18369	3.8
420.19012	6.1
428.15808	3.0
429.16989	3.0
430.17340	5.8
446.16891	7.9
447.17853	26.6
448.18607	100.0
449.19077	4.8
464.18033	13.5
465.18750	3.5
466.19601	3.7
469.19659	2.4
569.23462	18.5
573.20856	3.5
574.21686	6.7
587.24695	8.0
608.22571	3.1
611.24561	2.6
629.25861	7.3
641.30621	8.2
649.25952	6.2
677.25830	19.2
695.27045	17.7
713.27667	5.1
731.34430	50.8
732.33282	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	731.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32524	0.6
59.93140	0.7
81.07053	1.1
97.02866	0.7
146.68100	0.8
185.04115	1.0
229.19989	0.7
259.07886	1.4
295.15292	1.0
347.09637	1.3
407.24069	2.5
457.20447	3.2
471.21817	6.6
487.21460	0.8
521.22742	1.2
569.29291	16.6
570.29572	1.9
619.25812	1.5
633.27045	1.3
731.34509	100.0
732.34833	9.5
758.14160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92997	0.6
62.45031	0.6
70.03563	1.4
103.43022	0.6
125.63917	0.6
137.06027	0.7
161.61745	0.6
163.57428	0.6
185.04262	0.8
187.97723	0.6
203.05289	1.5
259.08005	2.1
309.16782	0.9
331.10141	1.2
347.09625	1.4
365.10770	2.6
385.54510	0.6
407.24222	1.1
421.13162	1.5
457.20428	3.1
471.22128	3.4
487.21573	0.8
498.43890	0.7
501.70441	0.7
569.29150	11.2
569.37354	0.9
731.34631	100.0
732.34644	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	731.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41010	1.9
57.03426	3.8
61.02919	7.1
67.05498	7.8
67.72938	2.4
69.03423	3.4
69.32886	11.5
69.72246	2.3
73.02901	4.6
79.05502	7.1
81.07050	7.4
85.02887	10.4
91.03945	5.7
91.05452	3.7
93.07041	5.1
95.08587	4.0
97.02898	5.4
107.08601	3.7
199.36151	2.1
243.08531	3.0
244.37274	2.1
252.43668	2.5
288.53671	2.3
325.34573	2.5
412.56647	2.6
429.51959	2.4
453.21265	7.5
519.29413	10.1
687.26379	2.6
731.43365	100.0
732.43762	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	732.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01868	4.3
57.03429	1.1
59.04985	1.5
61.02925	1.1
69.03059	0.7
69.03423	11.8
71.41010	0.6
73.02912	1.2
81.03409	3.0
85.02897	15.2
87.04469	5.6
97.02886	16.2
99.04449	1.8
109.02875	3.4
115.03920	100.0
116.04266	0.8
127.03907	6.4
127.11252	0.4
133.03932	0.8
133.04956	15.3
145.04930	4.1
153.64162	0.4
163.06091	0.6
173.60738	0.4
187.05988	0.8
219.84595	0.4
223.05945	0.4
241.07069	2.2
259.08105	15.8
260.08261	0.5
263.86584	0.4
277.09161	32.2
277.67963	0.3
278.09439	0.5
295.10229	0.4
316.37262	0.4
391.12320	1.4
403.12357	0.4
421.13101	0.4
437.72318	0.4
438.82666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01866	4.0
57.03423	1.0
59.04984	1.3
61.02906	0.8
69.03421	10.6
71.04992	0.6
73.02901	0.7
81.03413	2.7
85.02897	11.3
87.04458	4.5
89.79601	0.3
97.02882	14.5
99.04437	1.1
109.02854	2.8
115.03917	100.0
116.04261	1.1
127.03892	6.2
127.04749	0.5
133.04953	17.7
145.04930	4.0
151.03885	0.3
163.05992	0.6
175.06026	0.4
187.06032	0.8
199.06084	0.3
205.07062	0.4
231.31450	0.2
241.06992	2.3
259.08087	14.0
277.09146	28.3
278.09372	0.6
306.81735	0.3
350.78510	0.3
373.11206	1.1
381.47260	0.3
385.11414	0.3
391.12213	0.8
395.12482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	0.5
62.57275	0.5
62.63187	0.4
69.03427	1.2
69.16006	2.8
74.22922	0.5
78.04697	0.8
79.05480	2.5
80.86286	0.4
85.02893	3.2
91.05472	3.0
93.07027	1.1
95.04957	1.4
97.02879	1.5
98.22707	1.2
103.05461	2.0
105.07017	9.5
107.04939	2.9
109.02838	0.7
109.06484	0.5
115.05423	2.9
117.07010	2.2
118.04106	0.6
119.04957	1.1
121.06488	3.3
123.04449	0.8
123.08066	1.2
124.05206	0.7
125.05973	0.6
125.39871	0.5
128.06238	1.5
129.06985	2.2
131.04884	1.9
131.08546	0.8
132.05728	0.8
133.06483	8.0
135.08084	1.4
137.05975	2.1
143.06013	0.7
143.08530	1.2
144.54884	0.5
145.06487	1.8
147.07990	0.6
148.05147	0.7
149.05943	1.3
149.09663	0.7
151.07526	7.3
152.04634	0.5
153.05450	1.2
157.06497	1.9
159.08029	0.5
161.04709	1.1
161.05969	12.1
161.09605	1.1
162.06715	1.8
163.07555	2.8
165.09184	1.0
166.06297	0.8
167.07028	16.9
167.08475	0.9
171.08028	1.5
174.06720	1.2
175.07526	6.2
176.04686	0.5
177.09090	100.0
178.06238	0.6
178.09454	3.1
179.07123	0.5
181.04919	0.5
181.08566	10.5
189.09082	7.2
191.07016	2.1
191.10452	0.5
193.08583	59.9
194.08833	1.1
195.08170	0.9
195.10165	3.8
203.10678	2.4
204.52943	0.5
207.10143	1.6
211.07587	0.8
219.08148	1.0
219.10168	1.3
221.11703	27.6
222.12077	0.9
223.07578	0.7
225.09059	1.0
238.52492	0.5
240.07712	1.2
251.06958	0.8
251.10710	0.7
253.08513	0.9
255.10034	0.8
257.11670	1.7
265.08597	1.0
279.09949	0.6
283.09607	2.3
283.13196	1.6
285.11188	2.0
299.12567	0.6
306.25925	0.5
309.11142	1.3
311.12723	1.0
315.12189	2.1
317.13879	1.9
326.67517	0.5
329.13989	1.6
341.13840	1.2
343.15430	3.2
357.16739	0.7
361.16422	43.8
362.16797	1.4
373.16412	9.9
375.18118	3.8
737.85004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.4
53.03936	0.6
55.01863	0.6
57.03426	0.5
59.71158	0.3
61.02908	0.8
67.05487	0.4
69.03419	1.8
70.06577	0.5
71.04986	0.4
77.03932	0.3
78.04678	0.4
79.05485	1.5
81.03405	0.6
81.07062	0.5
85.02895	5.3
86.09702	0.6
91.05463	2.9
93.07027	2.9
95.04959	1.4
97.02869	1.5
97.96142	0.3
99.04462	0.4
103.05438	1.7
105.04498	0.4
105.07006	2.5
107.04942	6.6
109.02853	0.8
109.06553	0.5
111.04424	0.5
115.05417	0.9
117.07006	1.1
119.04953	1.6
119.08543	0.6
121.02888	0.5
121.06495	4.1
123.04404	1.9
123.08039	0.6
124.05186	0.7
125.05971	0.8
127.03897	0.7
128.06247	0.8
129.06992	4.9
129.10258	0.4
131.04907	2.8
131.08546	3.0
133.02782	0.4
133.06421	1.8
135.04388	0.7
135.08057	1.1
137.05960	4.1
138.06689	0.5
140.04701	0.4
143.04860	0.5
143.08505	0.3
145.04881	0.5
145.06465	1.2
146.07259	0.6
147.04399	0.8
147.07967	0.5
148.05164	0.8
149.05904	1.6
150.06746	0.4
151.03905	0.7
151.07504	4.5
152.04659	0.7
153.05435	2.8
155.07030	0.7
157.06477	4.5
158.07190	0.3
159.08038	0.7
161.05952	9.5
161.09589	3.1
162.06645	0.4
163.07513	5.7
165.05499	0.8
165.06966	0.8
165.09071	2.0
166.06248	2.2
166.07407	0.3
167.07031	21.5
167.08423	1.1
168.07358	0.6
169.72374	0.4
173.06012	0.6
174.06717	3.1
175.07518	3.9
177.05560	0.7
177.09088	11.5
178.09476	0.4
179.06992	1.3
179.08481	0.7
179.10690	0.5
181.05031	0.6
181.08571	22.6
182.07297	0.8
182.08842	0.4
187.07524	0.9
189.09070	17.5
190.09404	0.6
191.07005	1.4
191.08597	0.9
191.10568	0.7
193.06766	0.5
193.08563	5.9
193.10153	0.6
194.07188	0.4
195.08025	1.4
195.10172	0.4
197.06003	0.3
197.09521	1.8
199.07484	0.5
201.09047	0.5
203.10580	0.4
207.08115	0.8
207.10164	2.7
208.08794	0.5
210.06671	0.6
211.07515	0.7
218.07329	0.6
219.08054	1.1
219.10167	3.3
221.05997	0.9
221.11638	2.5
222.06787	0.7
223.07593	1.2
223.11176	1.3
225.09103	3.3
227.07045	0.9
227.10674	0.4
229.12198	0.8
235.07649	0.7
236.08334	1.0
237.09108	0.7
239.07076	0.8
239.10690	1.0
240.07704	1.0
241.08563	0.7
247.07571	1.0
249.11250	0.5
251.06998	1.1
251.10770	1.9
252.07675	0.4
253.08540	3.8
254.09253	0.5
255.06546	0.5
255.10143	1.9
257.11655	4.3
264.07816	0.5
265.08591	1.0
267.06598	0.4
267.10187	1.1
268.07297	0.9
269.08005	0.6
269.11655	0.5
270.08890	1.3
271.13251	0.6
279.10086	1.8
283.09634	4.4
283.13281	3.4
285.07928	0.7
285.11130	6.6
285.14047	0.6
289.14337	0.4
295.09543	0.4
296.10321	0.7
297.11157	0.9
299.09076	0.9
299.12863	1.1
300.10175	0.3
302.11423	1.2
305.13724	0.5
309.11081	0.6
311.12729	2.1
315.12231	4.4
317.13800	6.1
327.12149	0.4
329.13889	1.6
331.15338	1.4
341.13654	0.8
343.15338	8.7
361.16394	100.0
362.16733	4.6
373.16400	3.5
464.77597	0.4
507.91211	0.4
638.35577	0.4
698.60358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.05499	21.2
55.20805	3.4
55.34018	3.9
57.03421	17.5
67.03186	3.9
67.05494	60.1
67.12390	4.1
69.07050	11.5
69.79470	11.2
71.04953	5.1
79.05480	62.6
81.03407	85.1
81.03886	4.2
81.07042	53.5
83.04960	6.6
83.08607	19.4
85.06482	3.5
91.05463	41.0
93.07027	59.6
95.04952	29.5
95.08589	37.4
97.06470	6.1
97.10163	9.2
99.08074	4.2
105.07007	23.9
107.04947	12.1
107.08569	24.1
109.10149	12.3
111.08073	9.7
113.05957	5.1
116.54079	4.0
117.06995	10.0
119.08557	22.8
121.10130	35.8
123.08058	6.6
123.11723	5.1
125.09637	7.0
129.06995	13.7
131.08554	21.4
133.10112	16.3
134.59846	3.8
135.11673	24.5
137.09601	3.6
145.10112	13.6
147.07985	5.1
147.11688	15.1
149.09579	6.0
149.13242	11.0
157.10080	11.4
159.11708	10.6
161.13280	4.3
163.11206	4.2
173.13226	7.4
175.11168	10.8
193.12187	22.4
215.17982	23.8
227.12851	6.2
233.18990	16.5
267.15875	100.0
268.16336	5.6
273.22028	4.2
297.66669	3.8
307.22629	80.7
348.38919	3.7
407.29150	5.1
425.30243	8.5
499.34131	55.1
517.35156	36.5
733.37170	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	732.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.8
57.07068	33.8
58.57383	1.3
59.04988	1.8
65.22825	1.3
69.07061	2.7
70.13793	1.3
71.08622	27.5
73.06554	9.3
83.08591	1.2
85.10167	17.3
87.04467	10.3
89.06020	100.0
97.10168	3.4
99.11746	5.0
107.07036	2.4
117.09128	7.7
130.08630	2.6
131.07033	2.6
133.08591	41.5
164.98996	1.2
169.19530	3.2
175.09665	1.7
177.11183	16.7
193.10718	1.4
213.22002	2.7
221.13748	3.1
257.24768	5.7
301.27310	3.2
445.93652	1.5
658.77856	1.4
661.45050	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.246
Annotation	CHEBI:69778
Peak:m/z	Relative Intensity
59.07527	0.2
69.06522	1.4
69.06927	0.5
98.05350	0.2
128.80807	0.3
135.56523	0.3
137.06027	0.9
170.33530	0.3
338.26160	0.3
407.99393	0.3
453.63452	0.3
733.24548	100.0
734.24854	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	733.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11395	0.6
69.31535	2.7
70.06576	0.8
85.02917	0.6
91.05507	0.6
95.83899	0.5
97.26215	0.5
97.60661	0.6
99.59836	0.5
100.89784	0.7
103.05422	0.6
125.02145	0.6
126.22443	0.6
131.04872	0.9
136.73793	0.7
137.05974	1.7
164.97205	0.7
177.05582	0.8
219.55667	0.6
422.12323	0.7
637.24158	0.7
733.24603	100.0
734.24957	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	733.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65585	0.6
62.27729	0.8
65.16216	0.7
82.03603	0.6
91.05479	0.8
120.96766	0.7
137.05988	2.2
140.12465	0.6
152.50267	0.6
161.05927	1.0
163.03871	1.1
165.68140	0.7
271.06085	1.0
310.34854	0.7
327.12927	0.7
626.24316	0.9
733.24493	100.0
734.24670	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	733.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02142	1.5
58.77956	1.5
61.02906	1.8
69.19714	2.6
69.20118	6.2
69.88118	1.7
70.06576	1.8
79.05476	1.7
81.03394	3.2
81.07021	2.3
85.02876	3.9
91.05449	2.9
93.07050	2.1
97.02895	1.7
107.04938	2.5
109.10159	2.0
121.10087	2.6
128.51625	1.7
137.05952	5.4
137.09540	2.1
145.81947	1.5
151.03896	2.0
163.03836	1.9
169.04652	2.0
175.03651	2.6
180.32936	1.8
213.07295	4.4
267.16211	1.7
297.81604	1.7
315.10294	1.8
357.11554	4.6
369.77393	2.0
423.11975	1.7
429.31952	1.7
443.18634	3.4
487.21170	2.4
554.43665	1.7
579.67017	1.7
653.05481	1.7
733.26001	100.0
734.26495	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	733.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28165	1.1
66.90436	1.0
69.07111	1.1
75.02728	1.0
75.07889	1.1
81.07029	1.2
83.83503	1.0
86.41392	1.2
91.05451	1.4
95.04967	1.4
131.04890	2.4
133.10158	1.0
137.05946	3.6
161.05956	1.4
165.09203	1.2
169.04747	1.7
175.03682	1.5
175.90190	1.3
195.37410	1.1
213.05473	1.1
213.07289	5.2
309.11343	1.2
341.12036	1.7
357.11520	4.1
399.13943	1.9
406.25293	1.2
430.90259	1.2
477.17581	2.5
523.17853	12.0
537.19507	16.4
733.26483	100.0
734.26642	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	733.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83410	0.2
53.28603	0.3
63.94956	0.2
64.32582	0.3
65.99102	0.3
70.57930	0.6
103.05457	0.3
117.06995	0.2
124.04659	0.2
125.02100	1.0
126.02803	0.3
131.04936	0.3
137.05988	1.2
141.05173	0.3
141.30505	0.2
143.67120	0.2
147.04327	0.3
153.05278	1.1
165.14087	0.2
167.06993	0.7
169.04720	1.0
175.03619	4.5
175.07510	0.4
181.04880	0.3
188.21872	0.3
193.67384	0.3
213.07303	4.2
225.07341	0.5
249.36018	0.3
255.08453	1.2
285.09415	2.5
297.09595	0.6
315.10410	1.2
341.11996	0.5
357.11526	5.2
399.14099	0.4
421.14566	0.6
481.16956	1.9
509.16376	1.0
549.19354	0.8
561.19122	0.5
603.20398	0.7
655.23010	0.3
673.24835	2.0
674.25781	0.3
729.08948	0.3
733.26624	100.0
734.26935	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	733.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.5
57.39398	0.5
58.63329	0.5
69.03422	0.9
69.34465	2.1
70.06587	0.6
80.78417	0.5
81.03446	0.5
81.07048	0.7
83.75963	0.5
85.02901	0.8
91.05479	0.6
93.07044	0.7
95.04961	0.7
101.33202	0.5
103.05421	0.6
107.08598	0.5
116.10731	0.6
121.10149	0.7
125.02115	1.2
126.02930	0.6
131.04907	1.0
137.05991	1.4
147.04472	0.5
151.04022	0.6
153.05307	0.5
163.01813	0.4
163.03922	0.6
169.04712	1.0
175.03624	4.4
177.09079	0.5
212.16338	0.6
213.07253	3.4
213.61961	0.4
217.51508	0.5
243.08351	0.5
255.08485	1.1
285.09540	1.8
297.09406	0.6
315.10623	0.9
341.12021	0.6
357.11472	4.3
407.15228	0.5
421.14529	0.7
443.18857	0.8
481.16858	1.7
487.21326	0.9
509.16373	1.3
549.19250	0.7
561.19336	0.7
603.20172	0.8
673.24591	1.9
733.26453	100.0
734.26849	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	735.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07696	2.7
69.42490	0.3
70.06573	0.6
71.15748	0.4
72.08112	0.4
89.88424	0.4
98.23425	0.9
120.08078	0.4
137.05971	0.4
173.05882	0.4
185.04254	1.4
309.09518	1.0
368.50864	0.4
543.18683	0.5
571.17981	0.8
573.19373	6.0
735.24591	100.0
736.24792	7.8
765.54095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2612
Annotation	Tianmushanol
Peak:m/z	Relative Intensity
56.26513	0.4
62.88454	0.4
64.19465	0.4
69.58825	1.1
69.59226	1.0
79.05505	0.4
83.90090	0.4
87.21391	0.6
91.05503	0.4
103.05453	0.6
107.08591	0.6
131.04944	0.5
137.05994	1.6
183.66078	0.4
184.76555	0.5
197.01230	1.0
205.04974	0.5
271.05994	0.8
327.12421	0.4
404.11530	0.9
419.13882	0.9
483.27277	0.5
605.18744	1.5
735.26117	100.0
736.26538	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	735.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58164	0.3
71.44456	0.4
79.05479	1.0
81.03410	0.4
91.05482	0.5
95.04974	0.6
105.06995	0.6
107.04965	1.0
109.58100	0.5
122.03687	0.5
125.02131	1.5
126.02928	0.6
131.04935	0.7
133.02843	0.5
135.04359	0.5
137.05962	4.8
138.06375	0.5
145.10927	0.4
147.04398	0.5
149.06017	0.8
151.00053	0.5
151.03874	0.5
151.07523	0.8
153.05293	0.9
161.05971	1.2
163.03943	0.5
163.07532	0.7
167.07047	1.5
168.07520	0.4
169.04703	2.6
174.06764	0.4
175.03661	4.0
175.07571	0.9
177.05548	0.5
179.07115	0.4
204.07524	2.0
204.53046	0.4
213.07265	3.8
219.06297	0.7
219.10223	0.5
255.08434	1.6
271.05948	2.2
285.09436	0.6
297.09351	0.5
311.12891	0.5
315.10474	0.7
341.12192	1.5
357.11456	5.1
401.15643	6.4
407.13589	0.6
463.15866	1.9
477.17416	2.2
481.17142	0.6
523.17780	10.9
524.18402	0.9
535.17505	0.7
537.19342	13.7
538.19794	1.0
605.21954	0.8
675.25897	1.0
735.28241	100.0
736.28491	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	735.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24335	0.4
60.04523	0.4
65.45653	0.4
69.96627	0.5
80.19612	0.4
88.99696	0.4
99.34317	0.3
125.02117	1.4
126.02867	0.8
137.05937	0.5
141.05219	0.5
153.05217	1.2
159.04292	0.4
161.06052	0.5
167.41820	0.4
168.07518	0.5
169.04703	2.5
175.03639	3.2
187.88036	0.5
194.81798	0.4
202.05934	0.6
204.07654	1.6
205.08311	0.4
213.07355	4.1
219.06250	0.9
255.08455	1.7
285.09378	0.7
297.09644	0.5
313.12512	0.5
315.10593	0.5
323.76746	0.4
341.12201	1.3
357.11472	5.0
357.15277	0.5
365.12369	0.5
401.15692	4.7
404.87790	0.4
407.13181	0.6
463.15735	1.8
477.17380	1.6
481.16653	0.7
499.69260	0.5
523.17755	10.4
524.18219	0.9
530.59100	0.4
535.18121	0.6
537.19354	15.3
538.19550	0.7
551.42065	0.4
553.19232	0.4
675.25677	1.2
735.28186	100.0
736.28534	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	735.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05502	1.8
57.03431	2.2
61.02920	6.2
67.05502	5.4
68.69342	0.5
69.03430	3.0
69.07058	0.9
69.44386	1.1
69.44755	0.9
71.01321	0.8
71.04991	2.4
73.02905	4.5
79.05483	5.7
81.03426	1.9
81.07048	6.1
83.08597	0.9
85.02899	6.2
89.06048	1.4
91.03941	3.3
91.05463	3.8
93.07024	5.1
95.04956	1.1
95.08607	3.5
97.02896	5.1
99.04456	1.6
101.02384	2.2
104.28954	0.6
105.07047	2.5
107.08595	1.9
109.02918	1.2
109.10172	1.8
113.31657	0.5
115.03918	1.0
119.08559	1.5
121.10142	2.4
123.11682	0.7
127.03931	1.8
128.16019	0.5
128.91063	0.6
131.08554	1.0
133.10159	2.3
145.10132	1.1
190.87424	0.6
201.22202	0.5
243.08458	1.8
244.68784	0.6
267.15588	1.2
270.63477	0.6
307.22781	0.7
485.23535	4.4
491.26074	8.5
735.42804	100.0
736.43231	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06466	0.1
55.01859	0.5
59.04980	0.1
65.03925	0.2
69.03417	0.9
69.84822	0.3
79.05471	0.8
81.03379	0.3
85.02890	0.5
87.04453	0.4
91.05450	0.6
93.07029	1.5
95.04949	0.6
97.02873	0.9
98.22702	0.2
103.05447	6.4
104.29850	0.2
104.58060	0.2
105.04561	0.2
107.04939	1.8
109.02859	0.5
115.03907	8.6
120.08080	100.0
121.07726	0.2
121.08436	1.8
127.03910	0.8
131.04893	2.6
133.04939	1.2
145.04890	0.3
147.04324	0.2
149.05934	1.9
166.08601	53.6
167.08929	1.2
187.05888	0.1
211.05804	0.2
223.05862	0.3
229.07022	0.2
241.07022	0.5
259.08121	1.3
277.09128	1.6
338.14124	0.2
355.10138	0.2
373.10999	0.5
376.48349	0.2
408.57385	0.1
454.87552	0.2
476.31485	0.2
481.12921	0.2
499.14236	0.2
517.15063	0.3
622.11517	0.2
740.10358	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	736.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19077	0.4
55.01865	1.4
65.03933	0.5
68.11871	0.4
69.03423	1.0
69.14411	0.8
69.14811	1.6
72.11243	0.4
72.43644	0.4
73.00502	0.4
79.05485	1.8
81.03429	0.8
81.07025	0.4
85.02886	2.5
91.05467	7.5
93.07004	0.8
94.04181	1.4
95.04945	2.7
97.02850	0.7
98.22620	0.8
103.05453	4.7
105.04494	0.4
105.06999	3.2
107.04945	2.9
107.08567	0.5
109.02816	0.5
109.06501	1.0
115.05426	2.9
117.03370	0.5
117.07018	3.2
119.04914	6.5
119.08562	0.8
120.50674	0.4
121.02831	0.7
121.06508	3.7
122.03633	3.3
123.04417	0.5
123.08068	1.0
126.06757	0.4
127.03881	0.7
128.06218	1.1
129.06990	2.8
130.04140	0.5
131.04910	8.6
131.08549	1.2
132.05704	0.5
133.02843	4.4
133.06456	2.8
134.07323	0.5
135.04437	0.5
135.08055	1.4
136.05128	0.7
137.05957	62.1
138.06313	1.1
141.07059	0.7
143.04930	1.2
143.08516	1.0
144.05667	0.6
145.06433	2.4
146.07298	0.8
147.04391	5.3
147.08006	1.4
149.05954	3.9
149.09628	0.7
150.06706	0.8
151.03886	1.1
151.07521	23.2
157.06433	1.7
159.08060	1.6
160.05141	0.8
161.05956	16.7
161.09587	2.7
162.06735	3.4
163.07516	23.3
165.05574	0.8
165.06992	1.9
165.09125	1.4
167.07001	1.2
167.08472	0.5
169.06483	0.5
171.08026	1.0
173.06010	0.6
173.09570	0.5
174.06735	1.2
175.07521	18.9
176.07974	0.5
177.09082	100.0
178.09381	1.8
179.06984	2.5
179.08589	1.3
181.06491	0.7
181.08586	1.0
182.07234	0.7
183.08138	0.6
187.07520	9.4
188.08000	0.5
189.09062	8.7
190.07768	0.6
190.09366	0.6
191.06999	1.0
191.08601	2.1
191.10611	0.6
193.06444	1.6
193.08580	1.2
194.07211	2.2
195.06329	0.6
195.08043	3.3
195.10144	4.0
201.09091	3.7
203.08708	0.7
203.10660	1.4
205.06465	1.0
206.07231	0.5
207.08102	1.4
207.10156	4.1
208.08980	0.6
209.05969	0.9
209.09616	1.4
210.06783	1.2
211.07556	1.7
215.06927	0.6
217.08556	1.7
218.07288	0.5
219.08023	3.7
219.10144	8.6
220.08696	0.8
221.05945	2.5
221.09712	1.0
221.11671	15.4
222.06778	2.3
223.07495	2.5
223.11151	0.7
224.08263	1.3
225.09024	2.6
227.06996	1.0
227.10646	1.4
231.08020	1.0
233.05962	0.7
233.09772	0.6
234.06825	0.9
235.07582	2.0
236.04596	0.6
236.08217	0.9
236.14696	0.5
237.05444	0.6
237.09042	4.2
238.09785	0.6
239.07022	1.6
239.10686	0.8
240.07782	1.0
241.08543	0.8
245.09912	0.4
247.07506	1.6
248.08308	1.4
249.09052	1.9
250.06149	1.4
251.07011	1.6
251.10532	2.2
252.07793	1.6
253.08554	5.0
253.12222	1.0
254.09203	0.8
255.06546	1.6
255.10191	2.3
261.09024	1.0
263.10684	0.6
264.07797	0.8
265.08560	11.8
265.12582	0.5
266.09317	1.3
267.10132	3.5
268.07263	0.6
268.10724	0.8
269.08084	1.2
269.11768	0.6
270.08859	1.5
276.07724	0.5
277.08463	1.8
277.11725	0.5
278.09323	0.5
279.10077	4.4
281.08124	1.2
281.11548	0.8
282.08990	0.7
283.09604	3.0
283.12689	0.8
284.10361	0.7
285.11255	3.9
287.12741	1.5
289.08612	0.7
291.10022	1.6
293.08170	0.7
293.11652	1.6
295.09720	2.1
296.10248	2.1
297.11188	11.0
298.11563	0.9
299.12759	3.1
308.10269	1.6
309.11185	7.8
310.11749	0.5
311.12729	8.8
312.12909	0.7
313.10931	0.8
313.14218	3.5
315.12216	1.9
317.13901	0.8
321.11172	0.8
323.12711	5.6
325.14325	4.6
327.12247	0.6
329.13754	10.5
331.15292	2.7
337.14362	2.4
341.13770	14.4
342.14404	1.0
343.15231	2.5
349.14420	1.0
351.15778	1.7
353.13345	0.7
355.15363	9.9
356.15332	0.6
367.15414	3.7
369.16843	0.9
381.16803	1.1
447.17978	0.5
449.19617	0.9
461.19461	2.5
475.21133	4.5
479.20544	7.0
480.20413	0.6
491.20267	2.0
493.22327	0.7
509.21774	3.2
521.21619	1.0
651.23846	0.5
736.23645	0.7
756.69958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
62.13971	1.1
67.05498	1.5
69.03426	1.1
69.59793	3.8
75.76733	1.2
79.05493	1.3
81.56450	1.0
83.04996	2.2
85.02887	2.3
86.63587	1.1
91.05461	6.8
93.07040	1.4
94.04179	1.7
94.27670	1.3
95.04967	1.4
98.23487	1.3
103.05453	4.5
105.07012	4.0
107.04942	6.2
111.04433	2.8
111.71306	1.0
115.05435	2.5
117.06986	1.0
119.04926	5.0
121.02858	3.1
121.06487	3.0
122.03624	4.3
122.52267	1.0
128.06209	2.2
129.06987	4.8
131.04903	4.5
131.08534	3.8
133.02837	4.0
133.06487	1.8
135.04428	1.8
137.05962	63.5
141.06967	2.6
143.08440	1.2
144.05661	2.1
145.02847	1.2
145.06502	1.6
146.07224	1.7
147.04391	4.8
147.08008	1.4
148.05161	2.0
149.05977	3.8
149.09549	1.2
151.03905	4.7
151.07510	11.7
153.05431	2.3
153.06955	1.5
157.06474	4.5
158.07187	1.4
159.08040	4.6
161.05952	54.2
161.09587	12.3
162.06609	2.1
163.03925	7.7
163.07559	8.5
164.04375	1.4
165.05577	1.2
165.06944	2.3
167.07120	1.2
167.08649	1.6
169.06528	1.6
171.08031	3.4
171.27913	1.1
172.08807	1.7
173.05893	1.4
174.06812	3.8
175.07539	10.0
177.05423	2.7
179.07042	1.9
181.08514	1.6
182.07294	2.5
185.05833	1.2
185.09578	2.1
185.14993	1.0
186.06699	1.4
187.07544	5.6
189.09084	36.2
190.09370	1.3
191.07036	2.4
195.06337	1.1
195.08028	1.4
195.10118	3.1
197.09665	2.3
198.06750	4.8
199.07587	4.0
201.09055	3.0
207.10136	64.4
208.10568	1.2
210.06885	1.5
211.07516	1.3
213.07362	1.5
213.09106	11.4
215.10616	2.2
217.08516	2.4
219.08101	2.4
219.10141	7.4
221.06018	2.0
224.08226	1.3
225.09106	3.9
231.08044	1.6
231.10086	1.9
234.06631	1.9
235.07527	1.6
237.09081	1.9
243.10149	12.6
245.09720	1.4
247.07397	1.5
248.08244	1.9
249.08997	1.4
250.06447	1.2
251.10764	1.8
255.10071	2.4
261.11240	1.9
263.10458	1.4
265.08539	4.7
273.11237	20.6
277.08563	1.7
278.09146	1.8
279.10080	2.3
285.11273	2.5
289.12204	1.4
291.10153	1.8
297.11221	9.4
302.09335	2.0
303.09955	1.7
305.11676	1.3
307.09680	4.0
309.11115	5.0
310.11850	3.8
311.12717	3.1
321.11182	3.2
322.11880	2.3
323.12704	3.8
327.12271	3.3
328.12973	1.6
334.11835	1.4
337.14243	1.9
339.11984	1.9
340.13019	2.1
341.13934	3.3
349.14105	2.3
353.13895	2.6
354.14316	3.0
355.15488	1.7
367.15363	12.0
379.15274	5.7
391.08270	2.2
397.16394	100.0
398.16629	5.7
405.05923	1.8
415.17383	4.8
419.07712	2.5
447.06650	1.6
459.06995	1.7
461.19489	1.6
479.20575	22.4
480.20825	1.7
491.20569	3.3
509.22177	1.9
511.09885	1.5
521.21185	1.2
536.59534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
59.20718	1.2
65.03922	1.4
67.90775	1.3
69.03408	3.0
70.06572	3.3
79.05480	2.8
81.03444	1.5
85.02879	3.4
86.09694	2.2
91.05471	13.2
95.04958	5.5
97.02865	3.3
103.05438	4.1
105.04476	1.4
105.07014	5.1
107.04963	9.7
109.06507	2.6
115.05438	5.3
117.07029	2.2
119.04929	11.5
120.08141	1.6
121.02849	3.1
121.06493	6.2
122.03658	2.4
123.04432	1.9
127.03866	2.1
128.06166	2.4
129.06990	9.7
131.04926	9.2
131.08585	4.6
133.02846	4.2
133.06488	2.9
135.04401	1.7
135.08064	2.5
137.05959	65.9
138.06221	1.8
141.07031	2.2
145.06500	4.3
147.04356	7.8
147.07985	1.7
147.88309	1.4
148.05109	1.9
149.05975	7.8
151.03905	3.4
151.07501	24.1
153.06963	2.2
156.69685	1.3
157.06514	6.3
158.07330	1.7
159.08032	5.0
160.05182	2.6
161.05956	66.7
161.09584	13.6
162.06599	2.5
163.03885	1.6
163.07489	10.6
165.05637	1.8
165.06982	4.7
165.09152	2.8
167.07018	3.5
167.08516	3.5
170.07195	1.4
171.07928	1.6
174.06728	8.4
175.07503	21.3
176.08163	1.6
177.06944	2.2
177.09166	3.0
179.07043	5.5
179.08528	2.3
181.06476	3.5
181.08578	1.7
183.08003	1.5
187.07515	4.0
189.09081	36.6
191.08600	5.4
191.10590	1.9
193.06485	4.1
193.10110	2.4
194.07149	1.7
195.08215	9.5
195.09879	9.4
197.09601	2.0
199.07434	2.8
201.09106	6.6
203.08484	1.8
205.06540	3.1
205.08435	2.4
207.08214	2.6
207.10112	44.2
209.05983	2.8
209.09575	3.4
210.06662	1.6
211.07573	4.9
212.08194	2.6
213.09003	2.0
218.07185	1.9
219.08060	13.9
219.10094	68.5
220.10526	2.4
221.05983	7.8
221.09590	3.0
222.06776	2.3
223.07645	6.6
223.11165	3.0
224.08244	2.4
225.09079	7.3
227.07085	2.9
227.10593	3.1
233.29977	1.6
234.06744	1.9
235.07527	5.6
236.08322	5.1
237.09084	11.3
238.06192	3.0
239.07054	5.6
239.10779	1.4
240.07759	4.3
241.08575	2.7
242.09090	1.8
243.10112	1.8
247.07544	7.9
248.08310	3.7
249.09070	3.9
250.06168	1.7
251.06931	6.0
251.10703	8.0
252.07784	2.1
253.08569	22.3
253.12367	1.9
254.09232	2.1
255.04185	1.5
255.06345	6.5
255.10159	5.9
264.07816	3.6
265.08524	14.2
267.10162	5.6
268.07440	2.1
269.08041	5.5
269.11646	3.1
270.08768	7.8
271.09595	2.3
273.11127	2.1
277.08557	4.6
279.10126	12.0
281.08087	3.0
283.09665	9.0
283.12997	2.3
285.11169	9.8
287.12729	3.1
295.09467	2.9
296.10345	6.0
297.11157	45.3
299.12531	2.5
309.11197	7.8
311.12799	15.3
313.10959	1.9
313.14120	6.7
315.12354	5.3
317.13562	1.9
321.11340	1.6
323.12753	5.7
327.12305	4.4
329.13791	100.0
330.14081	4.3
331.15317	17.6
337.14267	6.6
341.13782	8.1
343.15375	2.9
349.14398	1.7
355.15375	28.2
367.15396	12.7
367.98053	1.5
405.06000	2.4
435.18164	1.6
447.17691	1.8
461.19397	6.3
473.19080	2.2
479.20517	21.6
491.20490	7.4
509.21585	12.4
521.21210	2.1
628.17023	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46112	0.5
55.01864	0.7
58.27332	0.5
59.65453	0.5
60.55861	0.5
65.03963	0.7
67.70126	0.5
69.03410	1.7
69.97250	0.9
69.97594	1.2
71.05006	0.5
77.54919	0.5
79.05486	1.7
81.03393	0.8
81.07048	0.9
85.02898	2.8
86.56948	0.5
89.61725	0.5
91.05480	7.0
93.07024	1.5
94.04155	1.8
95.04952	1.7
95.94347	0.6
97.02877	0.7
103.05443	3.6
105.03399	0.6
105.07021	2.7
107.04954	2.6
107.08581	0.8
109.06514	0.7
113.28448	0.5
115.05437	2.5
117.07000	3.6
119.04939	5.7
119.08604	1.0
121.06482	3.2
122.03647	4.2
123.08057	1.6
128.06206	1.4
129.06984	3.1
131.04910	7.6
131.08534	1.0
133.02849	3.7
133.06468	2.1
135.04393	1.6
135.08003	1.5
137.05960	58.5
138.06363	1.5
139.03860	0.6
141.06978	0.7
143.04936	0.8
143.08539	1.1
145.06464	2.1
147.04382	4.4
147.08038	1.4
149.05962	3.6
149.09566	0.9
151.03891	1.7
151.07529	20.9
157.06447	1.5
159.08023	2.4
161.05957	14.4
161.09624	2.5
162.06773	2.8
163.03893	0.7
163.07524	20.2
165.05589	0.6
165.06990	1.4
165.09103	0.8
166.07831	0.6
167.06976	1.5
167.08434	1.2
171.08025	0.7
173.09688	0.5
174.06779	1.1
175.07532	16.6
177.09088	100.0
178.04988	1.5
178.07898	0.8
178.09407	2.7
179.06981	1.6
179.08505	1.1
181.06323	0.7
181.08661	1.1
181.10162	0.6
187.07509	8.2
189.09074	7.2
190.07773	0.6
191.06984	0.6
191.08492	1.8
193.04913	0.9
193.06490	1.2
193.08577	0.8
193.10233	0.6
194.07297	1.3
195.08081	2.1
195.10153	3.9
199.07445	1.0
201.09056	5.0
202.07817	0.8
203.10716	1.4
205.06551	1.2
205.10150	0.9
206.04486	2.6
207.08029	1.7
207.10155	4.4
208.08809	1.0
209.09659	0.8
210.06723	1.0
211.07567	1.4
213.09059	0.9
217.06665	0.6
217.08620	1.7
218.07097	0.7
219.08022	3.0
219.10152	8.3
220.08711	0.6
221.05956	2.3
221.09683	1.0
221.11671	14.5
222.06645	1.9
223.07480	1.7
224.08293	1.4
225.09045	2.5
227.07011	1.0
227.10695	1.7
233.09482	0.8
234.06659	1.0
235.07472	2.1
236.08215	0.9
237.09044	4.4
238.06213	0.7
239.07002	1.3
239.10635	1.1
240.07674	0.8
241.08522	1.0
247.07564	1.9
248.08289	1.4
249.05426	0.7
249.09068	1.5
250.06219	1.2
251.06984	2.1
251.10641	2.0
252.07840	1.3
253.08578	5.1
254.09421	0.7
255.06468	1.3
255.10121	2.3
261.09219	0.7
263.10666	1.0
264.07724	1.3
265.08572	10.9
265.11646	0.9
266.09091	1.5
267.10077	2.8
270.08890	1.4
271.09479	0.6
277.08597	1.9
279.10126	4.3
280.10855	0.9
281.08221	0.8
281.11774	1.2
282.08722	1.2
283.09567	2.4
283.13089	0.8
285.11285	3.9
287.12793	1.3
291.10046	1.0
293.11761	1.2
293.92889	0.6
295.09674	1.5
296.10318	1.9
297.11224	10.9
299.12759	3.4
305.11630	0.7
308.10437	1.7
309.11145	7.6
310.11832	0.8
311.12692	8.3
313.10876	1.0
313.14221	4.7
315.12204	2.0
323.12750	5.1
325.14374	4.4
329.13776	7.7
330.14294	1.0
331.15369	2.3
335.12689	0.7
337.14392	2.8
341.13809	11.9
342.14847	0.7
343.15427	2.6
351.15686	0.7
355.15402	8.3
367.15430	3.6
369.16943	1.0
379.15076	0.7
381.16910	0.9
429.16837	0.6
461.19492	1.9
475.21060	3.0
479.20529	5.3
491.20386	1.5
509.21631	2.3
521.20532	0.8
600.08240	0.6
717.49084	0.6
718.49023	0.9
735.49170	0.9
737.25317	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	737.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25072	0.6
64.94503	0.7
71.40901	1.0
74.03313	0.7
78.24591	0.7
115.42103	0.8
118.98946	0.7
144.85138	0.7
166.83215	0.7
173.39038	0.6
350.12384	0.8
413.10458	7.7
434.84406	0.7
479.13678	1.5
575.15698	7.5
576.16614	0.8
588.44867	0.7
623.17230	0.8
737.21027	100.0
738.21527	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	737.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51949	1.4
57.00643	1.5
69.10488	5.3
69.10918	5.3
136.17984	1.4
189.00031	1.6
189.63228	1.5
193.32277	2.4
274.69260	1.8
284.47513	1.6
414.18280	2.1
415.19098	5.5
424.45044	1.7
427.19141	3.2
429.20749	8.7
430.22134	4.0
441.20712	1.7
443.22238	3.3
444.23389	2.9
457.23703	5.4
459.21454	5.4
472.22464	3.2
485.23770	13.4
486.20657	4.8
503.24146	3.0
513.22711	2.2
515.24353	12.6
531.23846	28.9
532.23755	1.9
559.23364	10.9
591.25946	100.0
592.26056	6.3
620.42188	1.6
703.92584	1.7
719.39252	1.8
737.40631	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	737.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43495	3.0
86.48690	2.7
100.96265	2.6
187.23831	2.7
187.77914	3.2
350.20871	3.0
402.19482	3.6
414.18604	3.8
415.18811	5.7
429.20679	11.6
443.22653	6.1
444.22644	3.6
457.24289	4.9
458.24368	8.5
459.21600	8.0
472.22586	5.8
485.23245	10.3
517.25787	7.1
545.25409	71.0
546.25616	4.0
573.24591	12.9
605.17841	5.5
605.27484	100.0
606.27728	7.1
720.73608	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	737.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77436	1.0
55.05513	1.4
57.03433	2.6
60.26780	1.2
61.02919	5.8
67.05492	5.0
69.03419	4.1
69.07050	1.6
73.02905	4.4
74.47624	0.9
79.05490	6.0
81.03398	2.4
81.07051	4.3
85.02889	6.8
91.03948	5.0
91.05479	3.5
93.07020	6.0
95.08620	1.9
97.02865	5.0
98.23415	3.1
101.02381	1.6
105.07030	1.5
107.08609	2.4
109.02879	1.2
109.10164	1.5
119.08556	1.3
121.10164	3.8
126.76323	1.1
127.03954	1.5
129.07007	1.2
133.10127	1.3
167.35213	1.0
205.84743	1.0
243.08459	2.3
251.12482	1.3
269.13678	1.4
443.18961	2.1
458.57953	1.1
466.98303	1.1
487.21689	2.9
491.26068	12.4
693.38983	1.4
719.39789	2.3
737.40704	100.0
738.40936	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	738.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32750	0.7
55.05486	0.7
62.23355	0.7
88.63089	0.7
93.07014	0.6
98.23511	1.4
108.68091	0.7
141.45020	0.6
142.85971	0.7
161.76082	0.7
195.15395	0.6
211.13628	0.7
233.23975	0.8
305.32614	0.8
387.16577	1.3
399.16187	0.8
400.16928	1.9
401.17639	2.2
403.19769	1.4
413.17810	1.2
414.18265	2.1
415.19220	6.5
426.19016	0.8
427.19208	3.9
428.20053	2.2
429.20737	11.7
430.21765	5.1
441.21115	1.6
442.21548	3.3
443.22925	3.4
444.22989	6.8
445.19333	1.1
457.24396	7.6
458.24606	2.3
459.21106	3.5
460.21732	1.6
461.22821	1.5
468.69070	0.8
470.21173	1.2
472.22699	3.9
475.24750	2.7
485.23636	18.8
486.20694	4.2
487.24866	2.3
489.22852	1.8
497.23218	1.0
499.20966	0.9
500.21997	2.8
503.24487	3.4
504.21152	1.0
513.22980	2.4
515.24396	14.9
519.21930	0.7
531.23871	36.2
532.24335	2.8
541.22589	1.5
559.23328	12.9
560.24103	1.1
591.25928	100.0
592.26160	8.3
738.41248	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77178	3.3
53.03937	3.1
54.80156	3.0
55.01869	8.3
55.05503	19.2
57.03427	14.2
59.57663	2.9
67.05500	10.8
68.53556	3.1
69.07060	5.8
69.99369	7.1
71.38197	3.1
79.05494	19.7
79.05881	3.2
81.03407	66.2
81.07056	17.5
83.04974	4.7
83.08620	19.6
85.06561	3.2
91.05476	26.0
93.07036	14.1
95.04951	25.5
95.08614	8.3
97.02843	5.0
97.10131	3.8
99.00819	13.9
102.84107	3.0
105.07030	20.9
107.04958	10.2
107.08599	9.3
108.87169	2.8
109.02859	7.7
109.06496	7.1
109.10175	7.3
111.08102	7.8
115.03934	4.4
117.06947	3.5
119.08558	17.8
121.06501	8.0
121.10130	5.2
123.08025	3.7
125.09579	4.6
129.06992	8.0
130.89287	3.2
131.08583	11.1
133.06427	4.3
133.10117	30.0
135.08084	4.0
137.09576	3.2
147.11653	7.7
149.09589	4.8
151.11194	14.3
157.10109	8.0
161.09615	17.6
175.11159	4.2
179.10686	10.2
189.09096	10.8
189.11099	4.4
193.12267	16.8
203.29787	3.4
211.13318	3.5
219.13800	5.0
225.11243	10.9
267.15881	100.0
281.13892	3.7
299.14862	76.4
445.25839	14.0
463.26828	5.0
473.25443	19.2
491.26349	88.8
492.26785	4.9
533.27240	4.1
559.36951	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	738.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.01875	4.0
55.05511	15.2
57.03431	7.4
57.07056	2.1
65.03931	3.6
67.05494	48.6
69.07058	10.1
71.04991	3.0
73.06539	2.5
79.05041	3.2
79.05488	57.1
81.03403	4.9
81.06567	2.4
81.07050	48.6
83.04964	7.4
83.08615	5.4
91.05472	40.4
93.07038	59.3
95.04962	14.4
95.08596	32.4
97.06500	2.2
97.10175	2.7
105.04488	3.0
105.07018	30.6
107.04971	4.9
107.08574	20.9
109.06508	2.9
109.10156	10.2
117.07012	6.4
119.08567	19.0
121.06502	2.0
121.10128	10.1
123.08073	3.5
123.11689	3.1
129.06960	8.9
131.08537	5.0
133.10124	9.3
135.11670	8.0
143.08569	4.6
145.10132	9.8
147.11673	26.9
149.13254	2.3
159.11691	3.9
161.13219	9.8
171.11693	17.4
173.13194	2.8
189.12698	6.1
207.13794	17.8
243.20866	2.4
261.22098	3.4
281.17462	55.6
317.25000	2.1
335.25781	48.1
439.96210	2.2
464.82480	1.8
541.38806	100.0
542.39093	6.7
559.39648	2.2
628.50653	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	739.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51285	5.9
69.18097	30.5
87.07874	5.7
127.72256	5.3
159.94795	5.4
169.60170	5.5
306.27844	11.7
739.52856	100.0
740.53052	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	740.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05489	0.5
57.03421	0.9
65.03922	0.5
67.05490	2.0
69.03408	1.9
71.04983	31.3
71.28130	0.4
71.31668	0.4
79.05493	2.4
81.03413	4.9
81.07031	1.2
83.04974	0.5
83.08614	0.4
85.02898	2.5
85.06046	0.7
85.06532	6.1
91.05467	1.2
93.07063	0.7
95.04961	3.2
95.08582	0.6
97.02852	2.5
99.04450	0.5
103.07569	0.8
107.04942	1.7
108.04464	0.8
109.02874	2.9
111.04448	0.8
111.08063	0.4
113.05991	5.8
115.05437	1.1
117.06999	2.1
121.10101	0.7
127.03924	2.1
127.07538	17.5
127.79776	0.5
129.06995	1.4
131.07025	8.0
131.08536	1.1
135.11688	1.1
137.05959	11.1
141.05530	0.6
143.04901	1.5
144.05699	0.8
145.04927	1.4
145.06532	3.4
145.08577	100.0
146.08884	1.1
155.07034	0.8
156.05734	0.6
157.06459	1.3
159.08028	0.8
160.05182	2.0
161.05922	0.9
163.11134	1.1
167.07002	4.9
172.05234	0.8
173.05933	4.7
173.08099	1.1
174.06770	0.5
175.07523	11.1
181.12228	0.4
185.08104	0.5
187.07504	4.4
189.09062	0.9
190.06226	2.2
191.09114	5.0
191.10631	1.0
203.06982	0.6
205.08575	10.3
217.08546	5.3
219.10196	0.8
227.12720	0.6
235.09619	6.4
241.08557	0.5
247.09613	1.5
249.08936	0.8
257.10129	1.9
265.10690	3.6
265.13568	0.7
267.15936	1.9
271.06091	0.6
275.11267	0.5
277.08566	0.5
283.15396	2.2
285.07562	0.7
299.11255	1.2
300.09827	1.1
301.10654	1.3
301.16391	2.1
317.12329	2.2
321.11371	0.7
335.13394	2.2
341.13962	0.5
343.74905	0.5
353.13705	2.8
355.15121	0.5
371.14935	4.4
475.26947	2.0
493.27762	3.0
530.93774	0.6
621.24182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.05505	9.7
57.03426	6.4
59.29161	1.9
65.03946	2.1
67.05155	2.7
67.05501	38.4
69.03427	2.1
69.07040	8.8
79.05492	26.9
81.07053	35.5
83.04996	2.7
83.08621	8.0
85.60309	1.9
91.05476	8.6
93.07032	33.5
95.04962	6.4
95.08607	38.3
97.02940	1.8
98.23499	3.6
105.07016	10.1
107.04969	4.5
107.08591	19.5
109.10165	9.2
117.06995	7.9
119.08592	10.0
121.06506	4.2
121.10131	15.3
123.08105	1.8
123.11716	3.8
131.08554	4.2
133.10091	3.1
135.11678	33.1
137.13266	1.9
145.10104	19.0
147.11737	2.7
163.11169	33.2
181.12204	5.7
198.30969	1.8
227.12759	48.2
227.14996	2.4
247.01282	1.9
261.22119	5.8
283.15387	42.2
306.27841	14.8
317.24844	3.1
331.69290	1.9
335.25766	100.0
336.26151	4.3
337.27347	4.1
543.36816	69.7
544.36865	5.3
599.49921	3.5
747.05957	1.9
750.59198	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	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.9
55.05497	14.9
57.03435	10.8
67.05502	67.1
69.07053	18.6
69.65454	14.6
79.05497	50.5
80.97782	6.5
81.07054	57.5
83.08617	17.2
91.05471	21.5
93.07041	65.1
95.04932	7.7
95.08604	72.4
97.06519	7.4
98.22707	5.3
99.04416	6.5
100.91491	4.8
105.07000	16.3
107.04962	9.3
107.08597	32.0
109.10161	10.3
117.07008	13.0
119.08553	8.5
121.06532	7.1
121.10150	20.7
133.10095	6.1
135.11693	59.8
145.10114	32.5
149.13303	6.6
163.11200	53.8
181.12285	9.7
227.12762	80.9
244.65585	5.0
261.22168	8.9
280.62039	5.1
283.15445	100.0
284.15921	6.1
306.27945	18.4
335.25790	96.8
336.26187	7.0
337.27344	6.9
428.09964	5.8
543.36853	85.1
544.36987	11.3
599.49939	8.0
619.73071	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01865	6.3
55.05505	15.3
57.03430	11.8
57.07048	2.1
59.04982	1.9
61.02904	5.9
61.84615	2.1
66.91590	2.2
67.05151	3.7
67.05494	40.7
69.03418	2.4
69.07052	12.8
71.05014	2.2
79.05482	32.3
81.03400	6.4
81.07045	42.0
83.01322	2.4
83.04967	7.7
83.08611	14.4
85.02895	6.4
91.05474	17.0
93.07032	38.7
95.04957	9.0
95.08601	34.5
97.02900	3.2
97.06514	4.0
97.10131	2.5
105.04481	2.4
105.07016	17.2
107.04961	7.2
107.08581	19.6
109.06503	3.7
109.10132	14.8
111.04472	2.4
117.07005	8.7
119.08567	12.9
121.06495	4.1
121.10113	18.1
123.08040	6.2
125.06010	2.4
125.09646	2.4
128.38216	1.8
131.08543	8.4
133.10085	7.5
135.11665	20.4
143.37762	2.0
145.10081	16.6
147.11662	4.2
149.13210	4.9
153.12695	3.8
159.11729	3.7
161.13206	2.1
163.11195	23.6
163.14755	3.6
173.09619	2.9
173.13179	4.6
181.12166	2.3
186.16008	1.9
209.11678	6.5
212.67494	1.9
227.12718	16.1
243.21037	5.7
261.22052	12.2
283.15363	100.0
284.15701	3.6
299.23682	3.2
317.24573	2.5
335.25763	75.6
336.26077	2.8
468.99341	2.3
525.35492	3.2
543.36792	52.6
544.36993	3.1
704.31995	2.9
740.31561	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	740.5214
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
67.05512	14.2
70.56172	29.9
80.12138	12.4
81.07046	22.8
81.17809	14.4
88.68167	12.5
92.17250	14.2
98.06067	17.0
142.80800	12.8
162.38481	13.6
306.27826	100.0
337.27188	23.5
350.13705	16.1
395.01266	14.0
470.22195	13.8
496.03992	14.6
496.25775	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	741.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.05497	0.2
56.92205	0.1
63.02369	0.2
65.03936	0.2
67.01856	0.5
68.99802	0.3
69.03417	0.4
79.05476	0.3
81.03409	1.3
83.04964	0.8
85.02905	0.6
89.03901	2.6
91.05466	0.9
93.84195	0.1
95.04970	0.2
97.02898	0.3
107.04940	0.7
109.02872	0.6
111.04464	0.2
117.03369	2.6
118.02089	0.1
119.04929	3.1
121.02834	0.6
127.03906	0.2
129.01805	0.1
129.05479	0.4
132.02115	0.1
135.04401	6.1
136.04716	0.2
138.24896	0.1
145.02831	5.6
147.03476	0.1
147.04382	5.6
153.01807	4.7
163.03880	45.5
164.04201	1.2
165.05443	0.2
168.11371	0.1
171.02846	1.0
181.04945	1.2
187.03886	0.2
203.06979	0.2
225.05447	0.4
225.37305	0.1
229.05016	0.3
243.06339	0.3
247.06097	0.3
271.05963	100.0
272.06308	3.9
287.05573	0.7
291.08545	0.8
307.08105	1.7
309.09625	0.2
313.06918	0.3
325.09161	1.1
329.06348	0.1
337.07193	0.2
364.71063	0.2
381.09552	0.3
383.14621	1.7
395.59976	0.1
415.48874	0.1
417.11728	0.7
433.11057	0.2
648.38708	0.1
741.25177	0.4
741.39777	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	741.2229
Annotation	Apigenin 7-O-(2G-rhamnosyl)gentiobioside
Peak:m/z	Relative Intensity
55.01846	0.2
55.05478	0.1
57.03430	0.7
59.04976	0.1
61.02888	0.5
67.01834	0.2
68.99779	0.3
69.03419	1.6
69.34135	0.4
69.34541	0.2
71.04991	2.6
73.02872	0.4
81.03422	0.6
81.33546	0.1
83.04930	0.4
85.02894	8.0
91.03914	0.2
91.05488	0.2
97.02352	0.1
97.02882	1.6
98.23374	0.2
99.04407	0.2
100.11224	0.1
109.02882	0.7
111.04389	0.3
115.03880	0.2
119.04913	1.0
121.02818	0.4
125.02291	0.2
127.03883	1.2
129.05476	0.9
133.04933	0.4
145.02808	0.4
145.04941	1.9
147.04379	0.3
147.06464	0.2
153.01807	2.6
163.03853	0.3
163.06007	0.2
167.06981	0.2
171.02837	0.4
225.05431	0.2
229.04974	0.2
243.06491	0.2
251.33395	0.1
271.05963	100.0
272.06290	3.2
287.05557	0.3
309.52139	0.1
313.07156	0.2
433.11246	21.1
434.11560	1.1
503.63446	0.1
579.16827	0.8
741.26660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2231
Annotation	Kaempferol 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03944	0.5
55.05475	0.4
57.03421	2.5
61.02924	0.4
68.99783	0.5
69.03422	1.4
69.90350	0.7
69.90702	0.8
70.06568	0.6
71.04983	14.9
75.04456	0.9
76.56570	0.4
80.42030	0.4
81.03388	0.5
83.04967	1.6
85.02892	19.3
87.04465	0.6
97.02872	1.1
110.60678	0.4
111.00734	0.4
111.04437	1.3
119.89072	0.4
121.02852	2.6
123.24286	0.4
127.03874	1.9
129.05473	5.5
133.52133	0.4
137.02357	0.4
145.04936	1.1
147.06485	2.0
153.01828	3.3
159.11636	0.4
165.01846	1.2
183.02878	0.6
185.05992	0.4
211.44395	0.4
213.05403	1.1
220.79808	0.4
231.06506	0.8
241.04945	0.7
242.66856	0.5
258.05127	0.8
261.09006	0.4
271.05966	23.4
272.06189	1.0
287.05450	100.0
288.05859	2.8
299.98303	0.4
329.06335	0.7
333.14035	0.4
378.88525	0.4
397.09082	0.6
433.11240	7.8
434.11823	0.6
569.24396	0.5
595.15906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2227
Annotation	Robinin
Peak:m/z	Relative Intensity
53.03913	0.2
56.12312	0.2
57.03427	1.1
61.02910	0.4
61.52230	0.2
62.01447	0.2
69.03423	1.4
69.11916	1.6
70.06565	0.5
71.04984	8.4
73.02885	0.2
75.04451	0.4
81.03389	0.5
83.04971	0.9
85.02893	11.4
86.09698	0.3
87.04446	0.5
97.02909	1.2
99.04424	0.3
111.00834	0.5
111.04442	0.5
115.05417	0.3
121.02838	1.8
127.03923	0.7
129.05492	2.6
133.02870	0.3
147.04358	0.5
147.06462	0.8
153.01819	1.7
165.01826	1.0
183.02946	0.4
213.05333	0.5
241.04829	0.4
258.05261	0.5
262.57730	0.2
269.35883	0.2
287.05447	100.0
288.05844	3.6
329.06378	0.4
433.11234	14.6
434.11523	0.8
595.16016	0.3
741.25116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2229
Annotation	Apigenin 7-O-(2G-rhamnosyl)gentiobioside
Peak:m/z	Relative Intensity
53.03921	0.1
55.01872	0.1
55.05505	0.1
57.03225	0.0
57.03429	0.5
61.02906	0.1
65.03934	0.1
67.01852	0.4
68.99809	0.3
69.03419	0.4
70.06588	0.1
71.04984	2.4
71.93011	0.1
72.99650	0.1
75.04456	0.1
78.59099	0.0
81.03413	0.2
81.39311	0.1
82.26283	0.1
83.04969	0.2
85.02891	3.4
87.04456	0.1
88.79517	0.1
91.05451	0.2
97.02866	0.4
97.55827	0.1
98.23502	0.1
99.04426	0.1
106.68898	0.1
109.02860	0.1
111.04445	0.1
119.04930	1.2
121.02851	0.5
127.03868	0.2
129.01721	0.1
129.05455	0.5
136.49223	0.1
136.92892	0.1
145.02843	0.5
145.04933	0.3
145.06430	0.1
147.04358	0.1
147.06516	0.1
150.69180	0.1
153.01802	3.1
154.02104	0.1
163.03859	0.3
167.06979	0.1
169.06445	0.1
171.02895	0.5
172.31714	0.1
203.07175	0.1
225.05406	0.3
229.04881	0.3
243.06435	0.2
247.06004	0.1
253.05008	0.1
254.05598	0.1
270.05154	0.1
271.05951	100.0
272.06296	3.5
283.05762	0.1
287.05432	1.0
288.05740	0.1
303.04828	0.2
309.07742	0.1
313.07086	0.3
335.08093	0.1
337.06952	0.1
363.08511	0.1
381.09567	0.2
399.10391	0.1
415.09940	0.1
433.11197	2.8
434.11572	0.2
595.16418	3.1
596.16724	0.2
700.06616	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	742.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85694	0.9
57.71035	0.7
67.05503	1.4
71.04979	1.0
79.05485	1.3
91.05476	1.1
95.04940	1.3
145.59608	0.9
176.70258	0.9
207.95245	1.1
267.15863	1.3
335.25476	1.3
353.90997	1.1
399.16046	1.2
405.20288	1.8
415.19104	5.9
417.20352	1.1
427.19656	1.6
428.19965	2.4
429.20816	10.2
430.21585	4.2
433.23804	1.4
442.21573	2.3
443.22006	3.4
444.23138	5.1
457.24609	5.9
458.25125	1.7
459.21594	4.0
471.18143	1.3
472.22659	2.1
475.24713	1.6
485.17297	1.2
485.23453	19.3
486.20483	4.0
489.22290	1.3
497.23065	1.4
499.21188	1.4
500.21603	2.2
503.23993	4.2
513.22980	2.1
515.24377	15.9
516.24982	1.7
531.23901	30.6
532.24023	2.9
541.22345	1.7
548.25653	1.2
550.24628	3.0
551.24951	1.0
559.23462	10.1
560.23511	1.4
591.25934	100.0
592.26361	8.4
619.26440	1.5
621.28278	1.5
623.26764	1.5
637.27606	1.2
649.27930	1.2
675.25562	2.9
693.26733	1.7
710.29651	1.6
724.31714	1.3
725.29675	3.2
742.32257	28.4
743.32672	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	742.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01862	3.0
55.05254	1.0
55.05503	14.5
57.03430	8.8
57.07060	0.7
61.02909	1.4
65.03932	1.6
67.05493	31.6
68.05848	0.6
69.03422	3.6
69.07055	8.6
70.73052	1.3
71.04982	3.2
73.02872	0.6
75.08826	0.6
77.03901	0.7
79.05483	28.6
81.03406	37.8
81.07045	31.4
83.04974	10.1
83.08609	15.0
84.08963	0.6
85.02888	13.8
85.06552	1.5
91.05035	0.4
91.05466	21.3
93.07034	24.5
95.04954	17.5
95.05526	1.4
95.08595	20.8
95.09206	1.3
97.02879	2.5
97.06528	2.6
97.10155	3.8
99.08095	1.4
105.07014	15.0
107.04913	3.5
107.08575	13.2
108.08975	0.9
109.06518	2.7
109.10133	6.6
111.04404	0.9
111.08074	7.0
113.05992	1.2
117.06998	2.5
119.08568	12.5
121.06516	1.2
121.10120	11.9
123.08051	1.9
123.11691	3.8
123.12506	0.7
125.09608	1.3
127.03893	0.8
129.06978	5.0
131.08556	10.0
133.06482	1.2
133.10115	6.5
134.13846	0.6
135.11665	5.6
137.09630	1.8
137.13225	1.0
142.07777	1.1
145.10104	4.8
147.08038	1.8
147.11670	10.5
149.09595	3.0
149.13275	3.2
155.66373	0.6
157.10088	8.2
159.11664	1.4
161.13269	1.5
163.11188	1.8
163.14758	0.9
165.12752	2.1
173.13271	2.0
175.11148	9.4
181.12199	0.7
187.14796	1.1
193.12204	29.7
194.12720	0.9
211.13257	48.6
212.13647	1.9
225.45409	0.7
227.12843	1.7
228.13217	1.1
243.21088	0.9
261.22116	4.9
267.15891	7.4
283.15457	0.9
284.15598	1.9
285.16931	42.4
286.17358	1.1
317.24677	2.1
335.25757	47.0
336.26215	3.8
435.32401	1.2
453.33578	1.1
471.34964	1.0
527.37390	5.9
545.38293	100.0
546.38647	7.6
578.85297	0.7
701.42358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.3
55.05501	22.4
57.03429	23.0
57.07061	3.4
61.02909	5.2
62.25751	3.0
67.05186	2.4
67.05490	69.7
69.03423	5.8
69.07043	16.6
69.11076	18.8
71.04984	5.7
79.05480	48.5
81.03404	53.3
81.07043	75.4
83.04969	17.4
83.08613	21.3
85.02884	17.6
91.05466	48.1
93.07032	56.9
95.04955	30.9
95.08597	39.0
97.02882	5.9
97.10151	5.6
99.08107	3.3
105.07013	33.4
107.04963	3.9
107.08575	25.7
109.06480	5.1
109.10176	15.1
111.08067	11.2
113.04340	2.7
113.06004	5.3
115.05443	3.1
117.07010	5.1
118.66393	2.7
119.08012	2.4
119.08565	26.9
121.10125	26.8
123.11704	4.5
129.06992	10.3
131.08551	18.8
133.10104	19.1
135.11664	11.1
137.13225	3.8
145.10101	5.2
147.11641	15.3
149.09625	6.5
149.13283	4.3
151.93083	2.9
157.10126	13.2
159.11653	6.5
161.13193	3.7
165.12784	4.7
173.13187	4.2
175.11160	10.2
181.09950	3.0
193.12181	40.1
194.90576	3.1
211.13226	47.8
261.22131	13.9
267.15948	16.0
285.16901	55.0
317.24472	4.3
335.25772	96.1
527.37201	11.0
545.38263	100.0
546.38513	9.4
743.41687	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	742.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01862	2.9
55.05503	24.1
57.03432	18.6
59.04982	1.7
61.02911	5.1
65.03931	4.0
67.05494	66.9
69.03421	5.1
69.07056	17.7
71.04986	6.8
73.86982	1.5
79.05477	47.6
81.03403	71.3
81.07043	66.9
83.04970	19.4
83.08604	27.3
84.45918	1.9
85.02894	29.7
85.06535	4.1
88.72742	1.7
91.05466	48.2
93.06440	3.1
93.07034	52.9
95.04952	31.6
95.08589	42.3
97.02874	6.2
97.06532	7.3
97.10166	4.6
98.22762	3.6
99.08070	2.1
100.12726	1.7
105.07011	31.1
107.04955	7.8
107.08576	26.2
109.06529	6.3
109.10131	15.3
111.04452	2.1
111.08056	11.5
113.05999	3.1
115.05435	2.3
116.63045	1.8
117.07011	7.7
119.08561	29.6
121.06495	3.0
121.10120	21.2
123.08067	4.3
123.11711	7.1
125.09662	2.9
129.06975	12.9
131.08533	22.2
133.06439	3.7
133.10083	16.9
135.11671	10.6
142.07747	4.4
145.09099	1.8
145.10068	8.9
147.08018	4.7
147.11673	17.9
149.09589	7.3
149.13232	4.7
155.49675	1.7
157.10121	17.4
159.11641	4.2
161.13185	3.7
163.14897	2.0
163.94154	1.6
165.12781	3.3
168.83186	1.5
173.13275	3.4
175.11154	18.1
175.14833	2.0
176.11510	1.7
190.58450	1.7
193.12218	53.1
211.13251	82.6
212.13618	2.3
243.21141	5.3
261.22098	11.5
267.15912	18.6
269.17755	1.8
285.16922	93.4
286.17297	2.6
301.25320	1.8
317.24844	3.0
335.25751	89.2
336.26144	4.3
527.37402	11.9
545.38306	100.0
546.38434	7.7
695.64508	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.01863	1.5
55.05502	13.2
57.03428	11.0
59.04982	0.7
61.02918	1.7
65.03931	2.1
67.05494	36.8
67.05865	1.7
68.05798	1.2
69.03409	2.2
69.07053	10.9
69.86187	2.4
71.04978	2.7
73.38712	0.9
79.05478	29.5
79.05946	1.5
80.05830	1.1
81.03406	39.9
81.07043	36.1
83.04967	6.7
83.08607	17.1
85.02898	13.3
85.06557	2.0
91.05461	21.8
93.07029	28.3
94.07343	1.2
95.04949	16.9
95.05527	1.3
95.08591	25.8
96.08981	1.0
97.02889	2.9
97.06525	3.1
97.10162	2.9
99.08118	1.4
105.04528	1.2
105.07027	14.2
107.04951	2.8
107.08569	16.3
107.09258	1.3
108.69511	0.8
109.06502	3.0
109.10139	9.6
111.04429	1.5
111.08073	6.0
113.05992	1.2
114.73071	0.7
115.05441	0.9
117.06990	3.4
119.08566	15.6
121.10117	13.1
123.08066	1.6
123.11685	2.9
125.09614	1.2
129.06993	5.1
131.08531	9.1
133.06448	1.6
133.10081	8.3
135.11685	7.0
137.09642	1.2
137.13206	1.4
142.07710	1.5
145.10095	4.2
147.08043	0.8
147.11642	10.0
149.09636	3.7
149.13257	3.0
157.10103	6.8
159.11723	2.1
161.13174	1.9
163.11200	0.9
165.12726	2.2
173.13260	1.6
175.11143	6.9
175.14859	1.4
177.16426	1.0
187.14894	1.2
193.12206	25.9
211.13255	36.2
212.13608	1.3
227.12764	1.6
228.13110	0.9
243.21132	1.7
261.22067	5.6
267.15829	6.1
283.15347	1.8
284.15924	1.0
285.16913	38.1
286.17413	1.0
317.24628	1.5
335.25739	62.5
336.26126	3.3
337.26385	0.9
481.99255	0.7
527.37280	6.6
530.23981	0.8
545.38269	100.0
546.38696	7.3
552.40039	0.7
759.59967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.1
67.01875	0.6
68.99770	0.5
69.03411	0.7
69.68176	0.3
69.68537	0.1
70.12327	0.1
73.02892	0.1
81.03424	0.5
81.61997	0.1
85.02901	0.5
91.05468	1.3
97.02886	0.5
98.23383	0.1
99.00799	0.2
107.04938	0.4
109.02864	0.3
119.04928	3.2
121.02853	0.9
127.03927	0.5
129.01814	0.3
131.04944	0.1
137.05963	0.3
145.02818	1.4
145.04967	0.2
145.06473	0.2
147.04338	0.2
151.03824	0.2
153.01808	5.1
154.02211	0.1
161.05939	0.2
163.03886	0.6
167.06970	0.2
167.08505	0.1
169.06432	0.1
171.02867	1.3
175.07372	0.1
177.05424	0.3
178.92093	0.1
187.03897	0.2
191.06995	0.2
195.08047	0.2
197.05931	0.1
202.06082	0.1
203.06981	0.5
205.04732	0.2
213.09026	1.3
225.05354	0.5
229.04941	0.4
243.04684	0.2
243.06755	0.2
265.08530	0.1
271.05960	100.0
272.06296	3.1
283.05951	0.2
295.05988	0.1
309.07574	0.1
313.07156	0.3
323.05344	0.3
351.04953	0.7
397.09229	0.1
433.10944	0.1
513.10211	1.0
743.27496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.34504	0.8
56.81944	0.7
61.40542	0.8
70.06557	0.9
70.32997	1.0
71.04956	0.9
78.04710	1.6
79.05479	4.3
80.71847	0.8
81.03409	12.8
85.02903	4.0
91.05471	2.9
95.04948	3.2
102.04680	1.2
103.05503	1.3
105.03363	1.0
105.07034	2.1
106.04207	1.2
107.04944	10.0
115.05421	8.3
117.07004	17.3
118.04123	1.3
123.04404	3.7
124.05219	2.3
127.03937	1.2
127.05416	0.8
128.06152	1.8
129.07001	3.6
130.05754	1.0
131.04875	1.3
131.08589	2.9
133.06461	1.2
141.06956	1.3
144.05695	3.3
145.06471	35.7
147.04378	1.6
151.03859	0.7
152.04630	1.3
153.05469	0.9
155.06015	7.5
155.07109	1.2
156.05682	8.4
157.06505	2.5
159.08049	6.1
161.05978	5.2
163.03877	1.3
167.07018	58.1
168.07394	1.4
169.06450	1.4
173.05965	62.9
174.06291	1.5
175.03851	1.8
175.07564	1.4
177.05421	1.1
181.08565	1.0
183.06490	0.9
184.05104	2.4
187.07495	6.8
190.06230	39.8
191.06920	3.0
193.08601	3.8
202.06253	4.2
203.06972	6.4
205.08575	100.0
206.08986	2.1
207.06488	1.6
208.05157	1.4
217.08566	41.9
219.08226	1.0
219.10091	5.3
223.07681	1.0
223.09608	4.5
233.05922	0.9
235.07298	2.0
235.09624	30.3
247.07509	1.4
247.09636	7.5
248.08246	1.1
263.10754	1.7
264.07849	1.0
265.10684	37.8
266.11240	1.0
269.08218	1.1
271.09723	1.3
276.07690	1.2
279.10150	1.6
285.48804	0.8
287.05499	9.0
288.05820	5.0
289.06015	3.8
291.10126	2.5
293.07947	1.1
307.09659	1.6
315.08530	3.9
323.12683	0.9
330.10965	5.9
331.11615	3.5
343.11420	1.6
351.12183	4.5
368.12619	1.3
371.14838	3.4
383.14859	11.0
384.15054	1.1
401.15921	11.1
508.92825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73953	0.6
67.01847	0.9
69.81443	1.9
70.04053	0.6
85.02893	0.8
91.05462	1.3
99.13519	0.7
103.05454	0.8
107.04929	1.3
119.04945	2.1
121.02859	1.0
129.86438	0.8
137.05934	2.8
142.37228	0.6
145.02855	0.9
147.04388	0.8
153.01805	5.5
161.05902	0.7
167.07010	1.9
171.02901	0.9
184.86850	0.6
225.05325	0.8
226.86606	0.7
271.05963	100.0
272.06183	4.8
287.05573	1.1
328.92850	0.9
354.50507	0.7
383.14590	41.9
384.14828	2.0
482.39679	0.8
642.10577	1.0
743.24878	2.1
768.49713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91275	0.5
60.28134	0.5
62.99812	0.5
71.41160	0.7
75.87124	0.5
87.74319	0.6
89.03897	0.7
91.05469	1.1
97.18284	0.5
99.38795	0.6
104.22869	0.6
107.04923	0.9
117.03345	1.5
119.04892	1.4
120.05235	0.7
121.02863	0.8
126.24890	0.5
135.04398	2.4
136.04715	1.1
137.05931	1.0
145.02818	2.5
146.03207	0.6
147.04340	3.7
148.04675	1.5
152.14255	0.6
153.01767	1.3
163.03876	17.3
164.04214	7.6
165.04445	2.1
167.07086	0.7
181.04921	1.1
271.05969	23.4
272.06302	20.5
273.06543	10.6
287.05414	0.6
320.75528	0.7
338.10934	0.6
353.13568	1.2
383.14587	100.0
384.14880	3.7
743.27490	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	743.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10463	1.7
57.03416	2.9
59.04988	1.7
61.02926	5.3
65.41649	1.8
67.05496	3.2
69.03421	4.0
70.87045	3.1
71.05003	2.3
72.60242	1.8
72.99164	1.7
73.02900	3.1
77.24321	1.8
79.05471	2.4
81.03408	3.6
81.07056	5.1
85.02911	7.0
85.92610	1.6
91.03953	2.0
91.05479	5.0
91.05992	1.8
93.07063	4.5
97.02902	4.3
105.07075	2.7
107.08646	2.3
111.08029	2.1
119.08665	1.9
127.03962	2.8
133.10158	4.4
149.09702	2.1
171.08165	2.1
172.64403	1.8
185.20714	1.9
193.12195	2.7
205.56470	1.9
265.10443	2.0
267.16074	2.7
283.14905	2.4
373.35165	2.0
483.18350	4.0
501.23062	6.5
589.38257	2.3
693.30573	16.5
725.34082	2.5
743.34479	100.0
744.34723	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	743.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.8
57.03437	2.5
61.02927	7.6
67.05497	6.7
69.03413	4.0
69.07062	2.0
70.00473	2.8
70.00826	4.1
71.91257	1.8
73.02922	4.0
79.05501	6.4
81.03434	2.3
81.07047	8.6
85.02882	8.9
91.03960	4.3
91.05472	2.9
93.07025	4.8
94.97791	1.6
95.04964	2.2
95.08618	5.4
97.02895	7.8
101.02402	3.1
105.07020	2.7
107.08618	2.2
107.11591	1.6
107.12318	1.8
119.08546	2.2
127.03913	1.9
129.52625	1.5
147.11768	2.6
154.78339	1.7
168.15543	1.7
169.29897	1.6
169.56039	1.6
204.89905	1.5
243.08319	4.0
251.64989	1.7
265.36386	1.7
293.55133	1.7
298.79169	2.2
393.62366	1.7
465.20862	7.7
475.35071	2.0
519.29462	6.9
743.43280	100.0
744.43842	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	744.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
53.04165	0.1
55.01863	0.2
69.34824	0.2
69.35220	0.1
71.41222	0.1
77.03915	0.4
79.05476	1.1
81.03396	0.1
85.02888	0.2
85.06532	0.1
85.87550	0.1
95.04951	2.3
96.68972	0.1
103.05463	0.1
105.04479	0.9
107.04939	100.0
108.05267	2.0
137.05972	0.2
145.08612	0.1
147.04388	0.1
149.50085	0.1
168.66339	0.1
191.26721	0.1
213.09067	1.1
271.05954	0.6
272.06348	0.2
284.68057	0.1
297.13220	0.1
598.06433	0.1
745.26447	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	744.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01846	1.5
55.05505	13.7
57.03188	1.1
57.03428	6.4
57.07066	2.1
59.05001	1.8
61.02921	3.7
65.03929	3.0
67.05496	100.0
68.05813	1.1
69.03413	2.1
69.07061	12.7
71.04984	16.3
73.02883	1.2
76.74140	1.0
79.05481	35.8
81.03407	4.1
81.07047	42.0
83.04980	3.0
83.08595	8.3
85.02896	2.5
85.06528	1.9
86.11046	1.0
91.05466	26.9
93.07030	43.1
95.04958	7.1
95.08595	29.8
97.02856	2.6
97.06527	4.5
97.10158	2.5
105.04507	2.0
105.07018	12.7
107.08582	22.9
109.06499	1.7
109.10139	58.4
109.55598	1.0
111.08083	3.2
111.89882	1.0
117.06995	4.7
119.08566	15.3
121.10132	16.0
123.08074	1.5
123.11673	1.6
129.07019	1.0
131.08559	6.0
133.10100	8.3
135.11688	14.5
137.09592	9.4
145.10118	6.4
147.11697	4.9
149.13232	2.2
155.10623	1.4
157.10107	1.0
159.11682	4.1
161.13264	2.2
163.11206	3.3
173.11731	6.1
173.13205	2.8
175.14839	1.2
179.33305	1.0
181.12184	2.7
187.13239	1.1
229.31853	1.0
243.16013	1.5
255.15919	4.2
261.22061	2.3
285.17169	1.2
287.18524	15.9
314.34906	1.0
335.25745	26.6
337.27347	2.0
396.82233	1.4
397.31198	1.4
471.34384	2.4
489.35675	90.5
490.35977	3.8
503.37128	3.9
515.37384	11.0
547.39838	70.7
548.40045	4.1
566.75061	1.2
607.65027	1.2
744.45471	3.1
745.41052	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	744.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.05497	20.0
57.03432	7.9
67.05492	83.3
69.07064	18.6
69.22072	19.1
71.04986	4.3
79.05473	35.9
81.03410	3.7
81.07043	100.0
82.07392	3.7
83.04985	4.7
83.08617	15.0
85.02893	3.8
85.06526	5.8
91.05481	32.2
92.05833	3.1
93.07034	53.2
94.07368	3.6
95.04958	5.2
95.08591	35.2
95.38049	2.9
97.02967	3.5
97.06504	6.7
98.22696	6.3
103.11607	3.5
104.10786	3.0
105.07037	15.3
106.86610	3.0
107.08559	20.6
109.10135	18.4
117.07018	9.4
119.08596	9.1
121.10138	18.1
123.11695	8.8
131.08537	13.8
133.10097	22.1
135.11673	14.0
147.11656	6.8
149.13239	14.4
151.11253	3.4
157.10130	3.7
159.11702	13.5
161.13239	3.5
177.12764	6.4
195.13910	4.4
213.14812	4.7
243.15913	27.1
261.22137	7.1
269.17368	30.5
273.97388	4.0
285.16794	3.4
287.18387	28.0
335.25751	56.7
336.26202	4.9
503.37204	85.8
504.37305	8.4
507.99490	3.5
529.38721	11.6
547.39691	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.267
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94137	0.4
67.05504	0.6
69.03412	0.6
69.21661	2.5
69.92028	0.5
70.06596	0.5
73.02921	0.7
79.05489	0.5
81.03407	1.1
81.07049	0.8
83.04965	0.5
83.08590	0.5
85.02874	0.9
88.52886	0.4
91.05457	0.8
93.07037	0.6
95.08580	0.5
97.02856	0.5
98.23440	0.7
101.02386	0.6
105.07061	0.5
125.02105	0.7
133.10133	0.4
149.09578	0.6
150.74622	0.5
151.00012	0.5
153.05190	0.9
167.06967	0.7
169.04700	1.4
194.04611	0.4
213.07265	4.5
255.08380	1.6
256.98767	0.5
267.92972	0.5
281.10281	0.4
285.09363	1.9
297.09494	0.8
315.10324	0.9
341.11887	1.5
357.11362	4.2
481.16711	1.4
485.19794	1.4
501.22583	1.2
615.19836	0.5
685.23914	1.6
687.22626	0.5
695.31616	1.0
745.26154	100.0
746.26453	7.8
746.37976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51649	3.4
65.03934	6.6
68.17120	3.2
69.19064	24.0
91.05466	6.2
93.03458	3.4
94.36049	3.2
98.22707	9.5
98.23373	10.4
107.04932	3.9
119.04906	5.0
127.03935	3.3
133.02808	5.3
137.05969	13.3
144.71233	3.4
151.07458	6.7
153.05431	10.8
156.37708	3.5
161.05959	5.1
161.55124	3.8
167.07076	16.0
206.07225	4.9
227.81178	4.0
271.05948	8.3
272.06335	4.2
311.08969	4.2
325.10349	4.5
339.12469	5.9
348.48096	3.8
357.13123	5.3
383.14587	16.1
385.16205	47.4
386.16565	4.8
407.13770	3.8
565.19989	4.7
745.26489	100.0
745.39258	5.1
746.27252	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	745.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
56.85959	1.0
57.03421	1.5
59.47768	0.8
61.02911	3.5
61.52527	0.8
64.46902	0.8
66.29401	0.8
67.05479	3.8
69.03413	3.3
70.06580	2.3
71.04979	2.5
73.02895	3.7
78.26343	1.0
79.05480	3.6
81.03402	4.3
81.07043	4.2
83.04999	1.4
83.08585	1.4
85.02896	5.4
91.03946	2.6
91.05481	3.6
93.07027	3.0
95.04927	2.1
97.02889	4.6
101.02357	2.7
105.07044	2.4
107.04921	2.0
107.08569	2.6
109.10157	1.0
111.04417	1.5
117.07020	0.9
119.08595	2.0
121.10130	2.5
121.19494	0.8
125.02096	2.6
127.03873	1.8
129.06929	1.1
131.08571	1.7
133.10101	1.4
135.11681	1.3
137.05940	1.1
145.10112	2.4
147.11626	0.9
149.09612	1.8
153.05222	1.1
163.11134	2.5
169.04706	1.6
175.11211	1.3
193.12236	1.6
203.05211	1.3
213.07317	5.7
243.08354	1.8
267.11880	1.3
267.15793	1.1
283.15106	3.2
285.09399	2.5
297.09244	1.2
315.10138	1.1
323.14380	1.3
341.11798	1.3
357.11429	4.8
423.90082	1.1
433.88544	1.0
451.19449	1.4
466.84570	0.9
469.20462	1.4
481.16537	2.5
485.19791	11.7
501.23099	8.2
685.24268	1.4
695.32062	6.2
713.34125	1.0
727.34412	2.3
745.26019	100.0
745.35980	77.2
746.25665	11.5
746.36548	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	745.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73811	1.2
56.12727	1.3
59.90222	1.2
61.02921	4.5
62.62846	1.2
67.05504	3.5
69.03417	3.0
73.02914	5.6
77.42570	1.2
79.05486	4.0
81.07062	3.8
85.02895	4.2
85.10206	1.2
91.03959	2.7
91.05493	1.2
93.07052	4.4
95.08607	5.4
97.02886	4.1
98.23511	2.9
101.02367	1.7
105.07019	1.7
105.37859	1.2
106.21212	1.1
107.08595	3.0
109.10132	1.9
121.10191	2.4
133.10138	1.5
135.11703	4.2
145.10115	2.0
155.92584	1.2
163.11215	4.2
164.55591	1.3
174.39944	1.2
227.12827	3.6
243.08540	2.7
249.11026	8.0
254.39420	1.2
305.13541	1.7
467.18854	12.2
519.29315	3.7
745.41162	100.0
746.41833	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	745.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
55.05494	2.4
57.03423	2.1
61.02919	5.2
65.87035	1.1
67.05489	6.4
69.03425	2.9
69.07050	2.1
69.54451	5.3
73.02911	4.3
79.05486	4.5
81.03416	1.6
81.07021	5.9
85.02900	5.7
89.06055	1.3
91.03956	3.7
91.05492	1.6
93.07039	7.0
95.08604	4.8
97.02900	4.5
97.22442	1.3
98.22725	1.5
105.07017	1.2
107.08617	3.0
109.10159	1.3
119.08617	1.6
121.10127	1.7
127.03893	2.0
135.11676	2.4
161.09146	1.3
163.11186	1.7
184.07288	1.9
243.08469	2.1
249.10950	12.3
273.09885	1.5
285.94641	1.3
305.13663	2.5
347.91296	1.4
351.08691	1.4
467.18970	6.1
519.29327	8.5
583.96252	1.3
745.41193	100.0
746.42291	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	745.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
57.03432	2.6
61.02913	7.5
64.24532	1.0
67.05504	5.9
69.03423	4.0
69.07063	2.1
73.02901	4.1
73.41032	1.1
79.05476	3.9
81.03424	3.7
81.07054	5.5
85.02900	5.9
91.03948	3.9
91.05482	2.9
93.07044	4.5
95.08602	3.8
97.02867	6.2
99.04482	1.3
101.02399	2.8
103.74232	1.2
105.07040	2.8
107.08572	1.8
119.08566	1.4
121.10110	2.6
127.03927	1.9
133.10181	1.1
135.01265	1.5
135.11694	1.9
145.10078	1.3
163.11258	2.1
185.04190	1.7
243.08437	2.8
302.01248	1.1
336.07220	1.2
360.20209	1.3
403.65576	1.3
467.18820	4.1
519.29150	9.6
745.41144	100.0
746.41266	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	746.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01849	3.0
55.05501	16.6
57.03173	2.2
57.03427	20.6
57.07060	2.2
61.02922	3.2
67.05493	55.4
69.03408	4.2
69.07050	8.3
69.72942	5.9
71.04968	3.6
79.05480	55.7
81.03404	70.2
81.07041	44.4
83.04945	5.4
83.08607	18.0
85.02885	3.0
85.06538	3.9
90.38812	1.5
91.05473	33.7
91.77948	1.5
91.94302	1.8
93.07034	56.7
95.04955	28.8
95.08591	29.4
97.02863	2.5
97.06501	3.8
97.10182	3.9
99.08096	2.8
105.07017	28.0
107.04938	5.1
107.08585	20.1
108.83384	1.7
109.06542	3.2
109.10126	15.6
111.04434	2.5
111.08086	7.3
117.07017	9.2
119.08562	22.9
121.06509	3.3
121.10120	30.4
123.04439	2.4
123.08010	2.8
123.11690	7.1
125.09628	5.6
129.06969	8.7
131.08534	19.5
133.06496	3.8
133.10109	18.9
135.07994	2.5
135.11668	23.1
137.09647	1.9
139.11050	1.8
142.07800	1.8
143.08469	1.9
145.10078	11.0
147.08046	3.7
147.11664	13.9
149.09598	4.0
149.13249	12.0
151.11168	2.5
157.10089	10.9
159.11670	9.0
161.13258	3.1
163.11172	3.0
167.10629	1.9
171.11661	2.7
173.13261	7.2
175.11153	7.8
175.14799	2.3
176.23480	1.7
187.14766	3.4
189.11246	3.9
189.16316	1.9
193.12236	17.5
211.13091	1.9
215.17905	20.6
227.12793	4.7
233.18964	19.4
249.14954	1.9
267.15857	100.0
273.22162	4.5
289.21582	2.7
301.14365	2.3
307.22620	80.5
308.22946	2.6
309.16885	3.9
379.07446	1.6
407.29391	4.6
425.30374	7.4
443.31546	2.8
499.34113	52.7
500.34592	3.4
517.35229	37.0
518.35413	3.8
541.35077	4.6
746.40808	2.9
747.42792	13.2
776.97833	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36551	0.4
55.01856	0.9
65.03931	5.2
67.05487	1.6
69.03410	1.3
70.06582	0.6
79.05478	1.4
81.03422	0.7
82.04195	0.9
85.02906	3.7
91.05470	2.1
92.72215	0.5
93.03381	2.4
93.07083	0.4
95.01332	0.7
95.04967	1.7
96.95325	0.5
97.02869	1.5
98.22721	1.5
103.05462	0.8
105.04528	1.0
105.07003	0.7
107.04928	2.9
108.02092	0.6
108.86936	0.5
110.03646	5.4
111.04445	5.5
115.05403	0.7
117.06950	1.0
118.04179	0.6
119.04931	1.0
121.02837	4.8
121.06482	1.0
123.04408	0.9
125.05984	7.6
129.07008	1.0
131.04935	1.4
133.02827	0.7
133.06479	0.7
135.04395	0.7
135.08015	1.3
137.05948	3.3
137.80656	0.5
141.07086	0.6
144.05658	0.6
145.06450	1.3
147.04359	1.0
147.08070	0.9
149.02344	1.3
149.05952	1.1
150.06665	0.5
151.03897	25.8
151.05019	1.9
151.07498	2.1
153.05446	14.8
159.08058	1.7
161.05943	3.5
161.09610	1.4
162.06750	0.8
163.07542	3.3
165.05554	0.5
165.06976	1.2
167.07030	13.6
167.08377	0.6
173.05945	0.8
175.07532	5.5
177.05440	1.1
177.06853	0.6
177.09064	3.8
178.06239	0.7
178.07693	0.7
179.06976	1.6
179.08475	0.8
181.04921	2.7
181.06465	1.7
181.08536	0.6
182.07219	1.4
183.08038	0.6
184.05090	0.5
185.62105	0.5
189.05463	0.6
189.09142	2.3
191.06995	2.5
191.08563	0.9
193.07008	0.6
193.08600	3.4
193.10089	0.8
195.06485	1.6
195.08073	2.3
195.10066	1.0
197.05901	0.8
197.09637	1.1
203.08499	0.9
205.06441	0.7
206.07193	0.8
207.08041	1.5
207.10167	1.3
208.08794	0.7
209.05968	0.9
209.07881	0.9
209.09692	1.3
210.06718	1.5
211.07507	2.3
211.11017	0.6
212.04665	0.7
213.09079	0.9
219.08188	0.9
219.10194	2.2
220.08907	0.7
221.05945	1.7
221.09596	2.1
222.06718	1.1
223.07538	3.3
224.08228	2.2
225.05486	0.6
225.09021	2.8
226.06201	0.8
227.06940	1.3
227.10526	0.7
232.08778	0.6
233.09598	0.7
234.06709	1.8
235.07523	2.3
236.08226	1.7
237.05635	1.1
237.09052	3.5
238.06264	1.4
238.09891	2.1
239.06927	2.5
239.10619	1.4
240.07756	5.8
241.08490	1.3
243.10088	0.7
247.07391	0.8
248.08240	1.2
249.05846	0.5
249.06340	0.7
249.09000	5.5
249.11226	0.7
250.09821	1.1
251.07010	2.7
251.10544	1.2
252.07794	4.6
253.08572	12.2
253.12187	5.1
254.09247	2.0
255.06526	1.3
255.10127	3.7
257.08032	1.1
257.11520	0.5
263.06909	1.3
264.07748	1.3
265.05026	0.8
265.08569	5.4
266.09329	5.2
267.06570	1.4
267.10101	3.3
268.07236	1.6
268.10638	0.7
269.08060	2.7
269.11612	1.1
270.08847	1.5
271.13235	0.9
277.08551	2.0
278.06119	0.5
278.09415	1.6
279.06482	0.7
279.10117	1.2
280.07370	3.1
280.10202	0.7
281.08051	3.4
281.11652	4.7
282.08807	1.7
282.12033	0.6
283.06348	1.0
283.09619	6.7
283.12823	0.9
284.10367	2.2
285.07956	0.8
285.11194	2.5
285.14810	1.3
286.11652	0.6
291.10052	0.7
293.08047	1.3
293.11710	3.2
294.08786	1.4
295.09601	5.2
296.10379	3.8
297.07742	0.9
297.11108	1.7
298.08490	0.9
298.11902	1.6
299.09320	0.9
299.12671	5.5
300.09836	2.5
303.15698	0.9
309.11179	4.1
309.56363	0.5
310.11865	2.3
311.09091	0.9
311.12741	3.4
313.10638	11.8
313.14331	5.9
316.13058	0.7
321.11133	1.5
325.10608	2.1
326.11282	1.4
327.12210	18.1
327.16162	0.9
328.13144	2.5
331.15308	3.2
338.11078	1.0
339.12228	15.7
340.12637	2.2
341.13760	5.9
343.15338	6.4
353.13733	1.5
355.15369	1.1
357.13510	1.3
358.13623	1.0
359.14835	100.0
360.15149	4.1
361.16446	1.4
365.13696	1.1
369.13171	0.7
370.13712	0.7
371.14850	25.8
372.15317	2.0
373.16550	1.0
389.15909	1.6
439.10168	1.2
505.18646	1.0
517.18500	1.4
521.19855	0.8
747.33618	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3766
Annotation	Pandicine
Peak:m/z	Relative Intensity
52.45132	0.6
55.01862	0.9
55.05501	1.7
57.03429	1.9
61.02922	5.5
61.92195	0.7
67.05499	3.1
69.03410	3.6
69.07066	1.5
70.06589	1.1
71.04990	0.8
72.08147	0.8
73.02912	2.7
74.67289	0.6
79.05499	3.0
81.03411	5.6
81.07056	4.0
83.08617	1.4
85.02895	6.6
89.83929	0.7
91.03954	2.9
91.04965	0.8
91.05443	3.8
91.89686	0.7
93.07027	4.0
94.97720	0.6
95.04959	3.2
95.08605	2.7
96.05171	0.6
97.02874	3.5
97.06509	1.1
98.23518	1.5
99.04464	0.9
101.02386	1.5
103.03945	0.7
105.07036	2.7
107.08617	2.3
109.06568	0.9
109.10163	0.9
115.03916	0.7
119.08580	2.3
121.06518	0.8
121.10120	4.4
123.11646	0.7
127.03904	1.4
129.07014	0.9
131.08568	2.0
133.10130	2.0
134.62016	0.6
137.05992	1.0
139.11215	1.0
145.05025	0.9
147.04384	0.8
147.08057	0.9
147.11702	1.3
149.09659	2.2
155.08704	0.7
157.10112	1.7
175.11221	1.7
185.04321	0.8
193.12300	2.6
225.14932	1.0
243.08481	2.0
267.15958	1.4
269.13736	1.2
283.15222	3.8
283.20441	0.9
335.30270	0.8
388.23752	0.7
423.32516	1.8
443.18872	7.3
469.20453	3.1
474.75974	0.7
487.21527	6.8
501.22949	14.8
502.24023	1.0
561.34827	0.7
703.35004	3.5
729.36060	2.0
747.37610	100.0
748.37958	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	747.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
54.63446	0.5
55.05507	0.8
57.03428	1.5
61.02916	5.0
67.05491	4.8
69.03423	3.5
69.07071	1.2
71.04998	0.6
73.02908	3.7
78.16487	0.6
78.68764	0.4
79.05483	3.3
81.03407	3.5
81.07043	4.3
83.08618	1.4
85.02883	7.0
91.03956	3.1
91.05464	1.5
93.07033	3.8
95.04957	1.9
95.08582	2.9
97.02872	5.4
98.22717	1.4
99.04446	1.0
101.02362	2.4
105.07030	1.6
107.08598	2.0
109.02841	0.9
109.10159	1.1
119.08563	1.6
121.10140	1.9
127.03915	1.1
133.10156	0.8
135.11787	0.6
145.10115	0.6
147.11699	1.0
173.53624	0.6
185.04298	0.7
193.12318	1.4
196.07758	0.5
196.76060	0.5
211.13275	1.4
243.08430	2.2
249.10985	0.6
251.12541	4.6
262.27133	0.5
335.25742	0.6
469.20236	5.0
519.29279	7.5
520.29395	0.8
747.42670	100.0
748.42877	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	747.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00103	0.4
55.01870	0.5
55.05495	1.1
57.03420	1.9
61.02913	4.2
67.05496	3.6
69.03420	2.4
69.07062	0.7
69.33265	0.7
69.33656	1.3
70.57730	0.5
73.02914	3.3
75.71461	0.5
79.05470	2.8
81.03397	4.1
81.07057	3.6
83.08605	1.3
85.02890	5.0
91.03957	2.2
91.05455	2.2
93.07027	2.7
95.04956	2.3
95.08603	2.1
97.02901	3.5
99.04429	0.8
101.02377	1.9
105.07047	1.4
107.08594	1.7
109.02890	0.7
109.10182	0.8
119.08594	1.8
121.10161	0.9
127.03941	1.3
131.08563	0.9
133.08640	0.6
133.10129	0.6
135.11714	0.5
145.04959	0.5
147.11687	0.5
157.10146	0.6
193.12262	2.4
211.13351	1.8
232.91649	0.4
243.08441	1.9
251.12514	2.5
298.08939	0.5
307.14868	0.5
327.03250	0.5
335.25836	0.6
339.21964	0.5
401.65701	0.5
411.44882	0.5
469.20370	7.9
470.20856	0.7
519.29230	4.3
641.14709	0.5
746.36530	0.5
747.42706	100.0
748.43018	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05511	1.2
57.03431	1.7
61.02920	5.6
65.03938	0.5
67.05498	4.4
69.03423	3.5
69.07061	1.1
71.01347	0.5
71.04996	0.6
73.02908	3.7
73.61471	0.3
79.05482	3.0
79.47781	0.3
81.03403	2.4
81.07049	4.0
81.54977	0.4
83.08633	1.2
85.02899	5.8
87.04470	0.4
91.03931	3.0
91.05456	2.2
93.07033	3.5
95.04984	1.1
95.08604	3.1
97.02885	4.3
97.06575	0.3
99.04446	0.4
101.02359	1.8
105.07037	1.3
107.08579	1.6
109.02882	0.8
109.10165	0.9
115.03938	0.4
117.07041	0.4
119.08584	1.6
121.10152	1.5
127.03932	1.5
129.07007	0.4
131.08591	1.2
133.10153	1.0
135.11739	0.6
147.11681	0.6
149.13286	0.4
163.00615	0.3
169.09853	0.3
175.11179	0.5
185.04211	0.8
193.12302	0.6
197.36665	0.3
198.32591	0.3
228.79858	0.4
234.16907	0.3
243.08492	1.4
243.98872	0.3
251.12614	1.2
251.93289	0.4
335.25693	0.4
346.65585	0.4
469.20303	3.0
519.29303	7.1
747.42773	100.0
748.43079	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	747.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69330	0.4
53.03949	0.8
55.01870	0.6
55.05514	1.6
56.51235	0.4
57.03433	2.3
61.02916	6.5
67.05495	4.8
68.08644	0.5
69.03426	3.7
69.07041	0.6
71.04983	0.9
73.02902	3.2
79.05477	4.0
81.03409	3.7
81.07046	3.0
83.08624	1.4
85.02890	6.5
91.03954	3.2
91.05476	4.0
93.07024	3.3
95.04984	1.1
95.08566	2.3
97.02880	4.2
97.06565	0.6
98.23447	1.2
99.04436	1.0
99.08099	0.5
101.02370	2.8
104.04036	0.4
105.07043	1.7
107.04945	0.8
107.08606	1.3
109.02890	0.8
109.10126	0.7
119.08542	2.3
121.10109	1.2
124.57341	0.5
127.03941	1.3
129.07039	0.7
131.08554	0.7
133.10126	1.4
135.11710	0.8
141.36597	0.5
147.11708	0.9
157.10156	0.6
193.12299	0.9
211.13310	0.8
217.35616	0.5
243.08504	2.0
251.12561	0.8
469.20374	7.6
519.29144	4.8
747.42743	100.0
748.43060	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	748.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86061	1.3
56.41088	1.2
57.90461	1.0
70.01690	2.1
89.03902	10.2
103.05460	10.7
105.07060	2.2
115.05438	1.5
117.03360	26.4
131.04909	21.7
133.06479	1.9
134.03645	2.1
135.04364	2.0
137.05972	2.9
145.02823	59.2
149.05931	9.0
161.05966	3.5
163.03827	1.7
163.07529	5.3
177.05441	100.0
178.05934	2.3
186.05493	2.0
187.07510	1.4
189.05441	1.4
260.74713	1.1
283.13297	1.4
489.32919	1.3
532.55048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44317	0.7
58.95401	0.7
68.14027	0.7
69.75730	1.6
69.76093	1.6
89.03901	8.3
91.05488	1.2
95.04996	1.0
98.23421	1.1
103.05450	11.4
105.07038	3.1
107.04938	1.2
115.05458	1.0
117.03362	20.6
131.04904	21.7
133.06488	2.8
134.03641	1.6
137.05954	3.0
145.02827	51.9
147.04385	0.9
149.05962	8.9
161.05923	6.9
162.06754	1.5
163.04013	1.0
163.07520	7.9
175.39256	0.7
177.05443	100.0
178.05791	2.1
186.05565	1.2
189.05496	2.5
194.37077	0.7
200.82486	0.9
202.81732	0.9
247.06067	1.3
265.08542	1.3
311.09183	0.9
313.14053	1.0
341.13556	0.9
346.71207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01843	3.5
55.05501	5.4
57.07070	9.8
62.06076	0.6
67.05492	7.2
69.07060	4.2
71.08620	8.2
79.05472	4.6
81.07045	26.7
83.04957	2.7
83.08607	3.8
85.10172	2.6
91.05460	1.9
91.56625	0.7
92.74374	0.6
93.07011	4.0
95.08576	10.1
97.06515	1.1
97.10126	1.6
98.22672	1.3
105.07021	2.6
107.08604	4.2
109.06508	8.8
109.10132	5.7
111.04417	16.0
119.08558	4.2
121.10152	3.7
123.08040	1.7
123.11701	3.0
125.05979	4.2
125.09606	0.7
128.06271	0.8
131.08548	1.9
133.10083	4.3
135.08035	3.1
135.11662	4.0
137.05954	100.0
137.13266	1.2
138.06236	1.3
139.07523	0.7
143.08560	1.3
145.10092	1.5
147.08034	2.0
147.11647	6.1
149.09607	3.4
149.13237	1.4
151.07544	3.0
151.11136	1.1
157.10074	1.6
159.11664	0.9
161.09615	6.8
161.13196	2.9
163.11147	3.9
165.09093	2.1
167.10645	0.9
171.11707	0.9
175.11148	5.2
175.14835	1.2
179.10657	1.7
181.12222	1.3
185.13147	1.3
189.12666	0.6
193.12282	1.1
198.16034	0.6
203.17885	6.7
205.19525	0.8
213.16341	3.2
221.18941	2.4
223.14957	0.6
231.17378	7.4
241.15686	0.9
249.18503	4.4
276.19537	1.1
277.17914	23.4
277.20956	1.1
282.28030	2.9
295.19022	4.2
296.19128	0.7
313.27316	8.2
320.22159	3.3
351.21674	4.6
418.52661	0.6
471.31827	0.7
589.44513	33.4
590.44910	2.6
607.45575	4.9
608.46118	1.1
730.45740	1.2
739.22925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77466	0.5
59.10115	0.4
62.43807	0.4
64.84563	0.5
69.72518	1.4
69.72858	0.5
79.05519	0.7
85.02892	0.7
86.09709	0.6
98.97614	0.6
109.10117	0.7
121.02830	0.5
127.03947	0.6
131.04938	0.9
137.06000	1.8
137.09637	1.7
139.34892	0.5
165.09146	0.7
175.25212	0.4
198.06537	0.5
223.81216	0.5
232.53188	0.5
253.04099	0.5
313.37900	0.5
418.09830	0.5
433.11688	1.3
577.16620	0.7
593.51849	0.6
619.16876	2.3
644.44470	0.5
749.24036	100.0
750.24414	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	749.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
61.02914	5.2
65.12505	0.9
67.05499	5.5
69.03431	3.2
69.07069	1.1
69.16280	3.5
69.16703	2.9
71.04996	2.9
71.16116	1.0
73.02914	4.2
79.05502	2.3
81.03398	1.5
81.07043	3.5
85.02907	4.5
87.04456	1.3
87.27512	1.0
91.03963	3.5
91.05476	2.7
93.07052	3.6
94.24260	1.0
95.08597	2.8
97.02881	5.8
101.02368	1.8
107.08618	1.8
109.10178	1.9
119.08544	1.2
121.10147	1.7
127.03922	1.7
135.11707	1.8
243.08412	1.9
260.16934	1.0
273.46945	1.3
274.04758	0.9
302.20636	1.0
348.45132	1.1
364.51608	1.1
366.40491	0.9
396.35730	1.0
400.02069	1.1
470.49463	1.0
471.21902	3.2
519.29401	5.6
749.44287	100.0
750.44604	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	749.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95571	0.8
53.03929	1.1
55.05511	2.2
57.03424	2.3
61.02918	6.9
67.05482	5.6
69.03410	5.3
69.07069	1.6
69.09374	2.0
69.09789	4.2
71.10163	0.9
73.02902	4.8
73.81933	0.8
78.25729	0.8
78.78682	0.9
79.05490	4.1
81.03434	1.9
81.07035	7.6
83.08578	1.0
85.02893	8.0
86.97876	0.8
87.04459	1.5
88.46815	0.9
91.03935	5.6
91.05480	3.4
93.07033	5.3
95.04960	1.3
95.08608	4.7
97.02888	6.5
97.06512	1.0
99.04425	0.8
99.92689	0.9
101.02383	2.8
105.07024	2.5
107.08589	2.6
108.26351	0.8
109.02843	1.1
109.10191	1.9
113.96663	0.8
121.10146	1.9
123.11682	1.2
127.03910	2.2
131.08548	1.3
133.10152	1.2
135.11749	1.1
159.11713	1.8
185.04274	1.0
186.40047	0.9
203.24648	0.9
243.08513	2.2
253.14270	1.1
259.75912	0.8
291.95538	0.9
330.59155	1.0
351.39020	1.1
427.19312	4.8
460.69437	1.1
471.21933	2.1
519.29309	8.3
550.27826	0.9
658.29608	1.0
705.41962	6.7
749.44269	100.0
750.44641	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	750.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01616	0.4
55.01865	5.2
57.03429	1.3
59.04990	1.8
61.02914	0.4
69.03416	11.5
70.95528	0.3
70.95878	0.5
71.04986	0.3
73.02914	1.4
74.36575	0.3
79.69389	0.3
81.03405	4.9
85.02895	7.2
87.03957	0.5
87.04452	5.4
91.57432	0.3
97.02878	15.1
99.04440	1.8
103.03925	0.4
105.64455	0.3
109.02858	6.1
110.63263	0.3
111.04446	0.5
115.03912	100.0
116.04256	1.3
123.04421	0.6
127.03899	8.5
127.04847	0.5
133.04947	10.4
137.05975	0.4
139.03903	0.3
145.04941	2.8
151.03850	0.5
153.05374	0.4
163.05991	0.3
165.05434	0.4
169.04964	0.6
175.05960	0.4
177.05455	0.4
187.06001	0.9
199.06029	0.5
205.04985	0.6
211.06068	0.7
217.07022	1.4
223.05925	2.1
229.07042	1.2
241.07005	3.9
253.07155	0.3
259.08096	12.3
259.10883	0.6
260.08673	0.3
271.07907	0.4
277.09134	16.1
283.07880	0.4
301.09082	1.6
304.06854	0.3
337.09091	0.6
342.05826	0.3
355.10126	1.5
367.10141	1.1
373.11307	3.7
374.11844	0.3
385.11154	0.9
390.05972	0.3
391.12051	0.9
421.13184	1.0
463.12167	0.4
475.12466	0.3
481.13449	2.9
499.14374	4.3
517.15491	5.6
518.15100	0.4
535.16583	2.0
535.23712	0.4
549.90161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88175	0.2
53.03933	0.9
55.01615	0.4
55.01867	6.1
57.03426	0.9
59.04999	1.8
61.02914	0.5
67.05515	0.3
69.03422	12.1
70.71115	0.2
71.04978	0.6
73.02909	1.0
74.55023	0.2
81.03409	4.8
85.02893	6.1
87.04457	6.0
89.00077	0.2
97.02882	15.5
98.03231	0.2
99.04448	1.1
103.03967	0.3
109.02863	5.9
111.04429	0.7
115.03918	100.0
116.04234	1.3
120.03299	0.2
123.04363	0.5
125.02313	0.2
127.03899	8.8
133.04953	11.6
139.03870	0.4
145.04938	2.3
151.03900	0.7
163.03920	0.5
163.06035	0.3
169.04939	0.7
175.06093	0.4
177.05365	0.3
181.04910	0.3
187.06000	0.7
193.04892	0.3
199.06012	0.7
205.04990	0.4
211.06035	1.0
217.06972	1.2
223.05968	1.7
229.07076	1.4
241.07039	4.3
253.07080	0.3
259.08099	12.2
270.53275	0.2
277.09152	13.8
278.09280	0.3
301.09262	2.3
301.99734	0.2
325.09021	0.3
337.09122	0.5
343.10596	0.3
349.09216	0.5
355.10330	1.4
367.10162	0.7
373.11218	3.0
385.11304	0.6
387.20981	0.2
391.12375	0.9
403.12100	0.4
415.12396	0.3
421.13309	0.8
481.13202	2.2
499.14386	4.0
517.15466	5.2
518.15509	0.5
535.16467	1.9
630.32892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01865	2.1
57.03425	3.7
60.85802	1.1
61.02908	2.0
62.21196	1.2
67.05505	1.6
67.42410	1.2
69.03416	8.9
69.59559	1.1
70.06583	1.7
73.02915	2.1
77.03929	2.0
77.39849	1.1
79.05480	8.4
81.03395	9.8
85.02877	11.7
91.05463	11.8
93.07024	4.0
94.04218	1.1
95.04951	6.2
97.02869	5.4
103.05459	15.9
105.03372	1.5
105.04527	2.3
105.07018	20.8
107.04935	77.2
109.02842	2.9
109.06535	2.1
111.04414	1.5
115.03925	3.5
115.05453	6.9
115.98099	1.3
117.07001	3.8
118.04141	3.2
119.04963	8.2
120.05698	2.6
121.06465	8.2
123.04414	4.6
123.08028	1.3
124.05158	1.2
127.03901	3.8
129.06993	1.8
131.04912	13.1
133.02826	20.1
133.06467	18.7
134.07402	1.1
135.04419	1.9
135.08028	32.5
137.05952	29.4
145.04950	2.2
145.06531	2.0
145.07574	2.7
147.04356	10.4
147.07997	2.3
149.05945	15.5
150.06747	6.7
151.07503	19.4
154.06218	1.6
159.04431	1.4
161.05942	19.3
161.07156	1.8
163.07512	99.7
164.07922	2.9
165.05453	4.9
165.09065	7.8
167.07010	91.2
168.07425	1.8
175.07532	4.8
177.05450	3.2
177.09033	2.4
178.06166	1.4
179.06998	22.3
179.08446	2.1
179.10431	1.8
180.07779	2.2
181.08563	31.0
187.07527	2.7
191.06995	6.6
193.08569	46.5
195.10133	100.0
196.10422	1.6
197.11655	1.9
201.09052	1.4
203.07057	2.3
205.08572	4.6
207.10159	8.8
209.11816	1.9
211.09608	65.0
212.10017	1.4
213.11180	47.3
214.11636	1.4
215.07001	3.4
221.08025	1.5
223.09538	6.0
225.09242	1.8
225.11104	7.8
227.07193	1.4
229.08582	2.8
233.08092	2.9
235.09595	1.6
237.11261	7.9
253.10664	10.9
255.12280	3.2
259.09384	1.3
279.12228	2.8
291.12198	5.4
293.10281	1.9
303.12128	5.6
305.13864	1.8
311.10980	1.7
321.13242	13.1
323.11188	2.2
333.64767	1.0
339.14401	2.9
341.13107	1.2
343.15366	3.7
361.16373	4.0
373.15829	2.1
443.37527	1.3
487.18817	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89711	0.8
70.01443	1.9
70.38691	0.8
72.63943	0.8
91.36720	0.8
177.05571	1.0
202.24905	0.8
340.84918	0.8
469.93323	0.9
579.17615	1.9
651.60553	0.9
726.58405	1.0
751.25616	100.0
752.25830	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	751.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52068	0.7
69.45329	1.3
69.45708	1.5
73.05025	0.7
79.99512	0.6
82.07477	0.7
88.69938	0.7
89.85408	0.7
121.32064	0.6
164.16870	0.7
167.07088	1.1
173.47787	0.8
206.04968	0.8
265.07645	0.9
283.08441	0.9
320.42886	0.7
579.16907	1.2
731.55414	0.9
751.25580	100.0
752.25769	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	751.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	1.1
70.57793	2.1
87.04452	1.5
103.48830	1.1
103.49528	1.1
114.82974	1.1
305.08640	1.5
356.69110	1.1
399.15842	1.5
400.16757	1.6
413.17566	2.8
414.18414	5.5
415.19269	5.3
416.20197	1.8
427.19049	3.9
428.19962	4.5
429.20697	20.6
430.21140	4.1
442.21451	3.8
443.22427	11.1
444.23062	7.0
445.19608	1.5
456.19522	2.0
457.24814	6.3
458.25082	8.4
459.21600	7.6
460.22266	1.3
470.20721	2.5
471.21628	2.8
472.22446	8.8
485.23404	17.3
486.23599	4.5
488.22165	1.9
502.23358	1.4
503.24750	1.5
513.22626	3.7
514.23309	2.8
517.25946	10.6
529.25952	1.7
545.25391	83.8
546.26245	6.1
573.24780	16.3
605.27496	100.0
606.27747	8.4
751.44458	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
54.30978	0.3
55.01866	0.5
55.05507	1.4
57.03424	1.8
57.51059	0.4
60.25206	0.4
61.02917	5.7
67.05492	4.0
69.03421	3.6
69.07066	0.7
69.23639	1.9
71.04987	1.3
73.02913	4.5
77.82119	0.4
78.15150	0.4
79.05485	5.0
81.03403	3.2
81.07037	3.5
83.04977	0.5
83.08593	0.6
85.02889	5.1
85.06522	0.7
87.04456	0.6
88.18768	0.4
91.03957	2.6
91.05476	2.4
93.07027	4.6
93.97666	0.4
95.04967	0.9
95.08585	2.9
97.02888	4.8
98.23434	0.9
99.04451	0.8
99.08087	0.4
101.02335	1.8
103.03939	0.5
105.07004	1.8
107.08604	1.7
109.02877	0.9
109.06507	0.6
109.10138	0.9
110.98815	0.5
111.08126	0.6
117.07018	1.1
119.08607	1.6
121.10154	2.5
127.03917	1.4
129.07002	0.5
131.08569	1.1
133.10126	1.2
135.11697	0.5
145.10153	0.8
147.11681	0.8
149.09647	0.6
157.10226	0.5
193.12329	0.4
243.08330	1.8
267.16040	0.6
283.15112	5.1
290.88031	0.5
307.22546	0.6
491.26123	8.1
491.32541	0.3
501.22897	4.9
502.23318	0.4
657.65088	0.4
751.42242	100.0
752.42615	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	751.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
55.01863	1.9
55.05497	6.3
57.03227	1.2
57.03436	11.9
59.04989	1.8
61.02920	2.4
67.05495	10.7
68.07822	1.4
69.03419	23.3
69.07037	7.8
69.66480	3.5
69.66864	3.0
71.01334	4.2
71.04981	40.8
73.02899	16.2
75.04453	7.0
79.05471	8.6
81.03394	2.2
81.07038	21.6
83.04964	14.2
83.08594	3.2
84.68310	1.5
85.02892	100.0
87.04467	3.2
91.05458	6.2
93.07029	20.2
94.50171	1.8
95.04308	1.4
95.04929	3.5
95.08017	2.7
95.08592	36.0
95.09205	2.0
97.02883	27.9
97.06530	1.7
98.22697	1.5
99.04449	1.5
105.07018	18.3
107.08576	27.1
109.10139	28.0
111.04436	10.2
111.08077	17.4
113.02354	2.3
113.06026	2.1
115.03905	38.9
117.06998	1.8
119.07742	2.4
119.08564	32.7
121.10126	19.0
123.11703	6.9
127.03931	2.2
129.05458	32.2
131.08548	6.2
133.04907	3.4
133.10107	23.5
135.11667	8.4
137.13263	1.8
139.03867	4.3
139.11160	3.1
145.10106	12.5
147.05452	2.9
147.06502	21.0
147.11649	19.6
149.13225	26.3
151.11052	1.4
157.04942	4.1
157.10081	1.8
159.11644	11.8
161.13208	15.9
163.14767	14.6
164.18840	1.5
167.72424	1.4
171.06467	3.0
171.11655	2.2
173.13261	8.3
175.14809	14.7
177.16336	18.3
185.13152	1.7
187.14792	10.7
189.16365	33.6
191.17928	7.6
199.14769	2.2
201.16350	25.2
203.17912	37.5
205.15862	3.3
207.17397	13.0
213.16325	4.7
215.17886	18.6
217.19504	2.8
219.17422	4.2
221.15303	2.1
221.18977	4.0
225.07547	12.2
225.16228	1.9
227.17921	2.4
229.19456	5.8
231.08279	1.8
231.17493	1.9
235.16956	2.6
241.19455	4.5
243.08620	10.0
243.21046	3.6
247.16949	5.8
249.18475	3.3
255.20967	2.0
259.17084	2.1
261.09607	2.4
261.18484	2.7
279.10736	14.2
279.20856	2.3
281.22632	3.0
290.17081	1.5
303.42841	1.7
327.23184	2.3
343.25983	2.2
351.30334	2.2
391.33496	10.9
397.30914	5.3
409.34592	27.4
410.35187	3.1
411.35886	3.0
425.34131	4.9
437.34061	69.7
438.34296	3.9
455.35110	32.8
456.35327	2.3
583.39832	2.1
751.38525	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	751.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.01863	2.6
55.05500	8.7
56.79761	0.8
57.03429	12.9
57.07070	1.1
61.02926	3.3
61.11913	0.8
67.05493	9.5
69.03418	21.1
69.07062	11.3
69.49044	3.1
71.01349	2.0
71.04985	43.8
72.91344	0.9
73.02905	17.9
75.04469	7.5
79.05483	7.1
81.07046	23.6
83.04974	17.5
83.05437	1.8
83.08613	3.3
85.02892	100.0
87.04451	2.6
91.05474	6.4
93.07034	16.4
95.04966	4.2
95.08595	37.7
96.13755	0.9
97.02879	26.6
97.06512	1.0
97.10147	2.9
99.04453	2.0
105.07014	18.2
107.08578	26.3
109.06505	1.2
109.10144	27.0
111.04419	12.7
111.08076	19.0
113.06004	2.7
115.03912	42.7
117.06985	1.8
119.08565	27.1
119.09414	1.7
121.10120	18.2
123.11682	7.5
123.95084	0.9
127.03896	2.6
129.05460	32.7
129.06946	1.5
131.08553	7.0
133.04942	3.7
133.09119	0.6
133.10098	22.7
135.11674	12.8
137.13289	2.2
139.03894	6.6
139.11157	3.3
143.08553	2.6
145.10100	12.8
147.06502	19.9
147.11670	21.1
149.13235	29.0
151.11272	1.5
153.09103	1.6
157.04924	1.2
157.10123	3.0
158.10698	0.9
159.11650	14.1
159.12920	1.1
161.09689	1.0
161.13237	17.9
163.14784	15.3
165.07573	3.0
169.04878	1.4
169.10175	1.4
171.06494	3.5
171.11703	3.0
173.13232	9.7
175.14810	14.7
177.16351	15.0
179.06967	1.6
185.13188	2.1
187.14807	12.2
189.16367	39.9
190.16803	1.6
191.17935	6.5
193.15948	1.1
199.14792	4.0
201.16360	26.1
202.16719	1.1
203.17934	35.7
205.15852	2.4
205.19490	2.8
207.17404	13.0
213.07629	1.3
213.16251	5.1
215.17929	16.4
217.19522	4.3
219.17448	3.8
221.19016	3.6
225.07547	10.2
225.16425	2.4
227.17946	2.7
229.19547	3.5
231.17349	2.4
231.20995	1.4
233.15622	0.9
233.18959	1.0
235.16933	4.3
239.18002	2.1
241.19554	2.7
243.08643	7.0
243.21053	3.7
245.15233	1.1
247.16888	7.0
249.18550	3.6
253.19667	1.2
255.21045	2.9
261.09610	3.0
261.18365	3.7
267.20975	1.9
279.10706	11.5
281.22580	2.2
283.24185	2.8
299.20248	1.5
325.21979	1.1
329.24756	3.2
343.26193	1.4
351.30432	2.1
355.26740	1.2
391.33502	9.3
392.33902	1.3
397.31055	7.2
409.34573	27.6
410.34796	1.5
411.35986	4.3
425.34073	8.1
427.35620	1.1
435.32312	1.7
437.34079	75.1
438.34338	5.4
455.35114	33.3
456.35394	1.8
485.63232	1.1
565.38745	1.1
778.41132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
53.27827	1.3
54.21128	1.2
55.01862	2.4
55.05499	9.1
57.03428	11.8
58.80345	1.4
59.04987	1.7
61.02923	3.0
64.04400	1.5
67.05493	11.6
69.03423	22.4
69.07075	8.8
71.01345	3.1
71.04982	37.3
71.44473	2.0
73.02911	18.1
74.23129	1.3
75.04473	8.4
79.05476	6.7
81.03417	2.7
81.07045	19.7
83.04977	19.6
83.08624	2.7
85.02892	100.0
86.03191	1.4
87.04470	2.4
91.05467	8.7
93.07030	17.1
95.04980	3.0
95.08598	35.3
95.09206	1.9
95.81126	1.3
97.02879	28.6
97.10134	1.4
99.04461	2.1
102.26627	1.4
103.03936	1.5
105.07017	18.0
107.08580	25.0
109.06515	1.6
109.10137	26.9
111.04420	12.5
111.08061	15.7
112.83856	1.3
113.06036	1.6
115.03912	42.4
115.74772	1.3
117.07033	1.7
119.08557	30.1
121.10127	19.8
122.54465	1.4
123.11696	6.4
129.05464	30.7
131.08537	6.0
133.04956	3.4
133.10103	23.2
133.11015	2.0
135.11681	9.7
137.13185	1.9
139.03888	4.2
139.11153	2.5
143.08543	3.7
145.10069	13.5
147.06491	18.8
147.11658	19.1
149.13237	25.8
156.59401	1.4
157.10153	1.9
159.11685	13.6
161.13249	16.6
163.14804	16.2
165.07574	1.9
169.10078	2.1
171.06482	2.4
171.11662	3.0
173.13246	9.0
175.14815	15.0
177.16324	12.5
185.13242	1.7
187.14818	9.5
189.16348	37.4
191.17929	6.3
195.17383	1.7
195.49821	1.4
199.14786	3.3
201.16359	25.9
203.14319	1.6
203.17935	33.5
204.18347	1.5
205.15834	3.3
207.17459	13.1
213.16370	5.9
215.17935	15.4
217.15892	1.9
217.19598	4.0
219.17462	3.1
221.15314	2.7
221.18971	4.1
225.07518	10.8
225.16252	2.8
227.17995	2.0
229.19487	4.7
235.16931	6.0
239.18025	1.8
241.19501	3.8
243.08543	6.8
243.21159	2.6
247.16931	5.2
249.18448	3.0
253.19438	1.5
255.21043	1.9
261.09671	3.1
261.18427	3.6
279.10745	14.1
281.22491	1.9
283.24255	1.5
285.18460	1.7
299.20004	1.6
329.24911	1.9
339.19247	1.9
343.26221	1.9
391.33572	11.4
397.30844	5.6
409.34598	26.4
411.36169	3.4
425.34039	4.0
435.32495	1.6
437.34103	73.4
438.34259	3.9
455.35138	33.1
456.35471	1.9
494.71295	1.6
528.97876	1.6
678.32727	1.5
751.38654	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	751.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01866	2.9
55.05495	4.4
55.21658	1.9
56.48784	2.0
57.03426	12.3
61.02906	3.0
67.05493	11.8
69.03407	19.2
69.07050	5.0
69.79195	5.6
71.01362	3.3
71.04979	36.9
73.02901	19.2
75.04468	6.4
79.05485	7.3
81.03421	2.3
81.07050	20.5
83.04966	15.9
83.08622	2.2
85.02887	100.0
91.05460	5.4
93.07031	16.8
95.04973	3.5
95.08592	29.6
97.02874	26.0
101.05996	2.1
103.03915	2.2
105.07018	18.4
107.08574	19.5
109.10134	26.0
111.04426	10.4
111.08068	16.6
113.02312	2.4
115.03910	37.0
117.07033	2.0
119.08566	28.0
121.10100	16.6
123.11693	6.3
126.89984	1.9
126.90968	2.1
127.03868	2.9
129.05458	31.6
131.08560	5.4
133.04996	4.7
133.10092	18.9
135.11676	8.8
139.03870	6.4
139.11203	2.0
143.08488	2.9
145.10100	11.4
147.06493	19.4
147.11644	18.5
149.13229	24.4
159.11644	12.0
161.13199	13.8
163.14793	16.3
165.07578	2.5
171.06532	4.3
173.13283	9.6
175.14803	14.0
177.16339	15.1
185.13429	2.4
185.81160	2.2
187.14824	7.8
189.16353	37.8
190.16679	2.1
191.17932	5.1
199.14923	2.5
201.16367	28.1
203.17928	37.6
205.15826	2.2
207.17363	9.8
213.16275	5.3
215.17935	15.2
217.19519	2.7
219.17426	4.0
221.15378	3.1
225.07509	13.6
227.17899	3.7
229.19443	2.8
231.01004	2.1
235.16808	3.0
243.08658	8.3
243.21292	3.1
247.16968	8.0
253.19562	2.6
257.22638	2.4
279.10666	9.9
391.33478	12.2
397.30887	6.5
409.34671	21.5
411.36240	4.6
425.34018	7.9
437.34033	77.6
438.34238	3.9
455.35071	27.9
583.39526	3.6
592.32532	2.3
751.22839	13.9
751.39087	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	752.327
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02713	1.7
69.21486	4.1
69.21893	6.2
70.06599	2.0
70.28048	2.0
73.87245	1.7
73.98487	1.6
79.05505	3.7
85.02913	2.3
86.09728	1.8
91.05467	10.5
95.04988	3.1
103.05471	5.0
105.07018	4.2
107.04949	4.7
107.08495	2.0
109.06454	3.0
115.05500	3.6
117.07012	2.5
119.04943	6.7
121.06496	4.1
122.03648	7.3
129.06999	6.9
131.04938	6.4
131.08604	3.3
133.06473	2.6
135.04411	2.2
137.05968	100.0
138.06334	2.5
144.05701	2.4
145.06488	3.0
147.04404	3.2
149.05954	9.1
151.03905	6.5
151.07501	17.9
152.07890	1.8
155.08524	2.0
157.06454	2.8
159.08047	2.4
160.05186	2.6
161.05956	36.2
161.09621	5.9
161.26456	2.0
162.06740	2.7
163.07558	9.4
165.07011	3.7
167.07037	2.6
167.08479	2.9
174.06815	3.5
175.07530	17.5
177.09062	3.8
178.00038	1.7
178.07787	2.2
179.07069	3.8
179.08536	2.2
181.06517	3.2
182.07402	3.2
183.08083	2.4
185.09624	1.9
187.07582	5.8
189.09106	14.8
191.07016	2.8
195.08104	4.0
195.10130	3.4
198.06659	2.3
199.07527	3.4
201.09109	2.8
205.06653	1.9
207.08211	3.1
207.10034	9.7
209.05994	2.3
211.07458	3.2
212.08353	2.2
213.09138	7.4
219.08080	4.6
219.10182	10.6
221.06061	4.6
221.09605	2.9
223.07567	3.0
224.08357	2.1
225.09070	7.9
227.07066	1.9
227.10724	2.7
235.07637	3.1
236.08157	2.5
237.09169	3.9
238.06422	2.2
239.07024	2.9
243.10234	4.1
247.07471	4.6
248.08220	2.6
249.09149	4.6
251.07004	2.8
251.10710	4.3
252.07864	4.2
253.08589	8.9
255.06487	2.9
255.10217	3.6
263.06967	3.1
264.07706	2.9
265.08545	8.2
266.09451	2.7
267.10086	4.8
270.80676	1.7
271.09641	2.1
273.11218	6.9
277.08652	5.9
277.12234	3.0
279.10275	5.7
281.07986	1.6
283.09628	4.7
285.11438	8.7
289.08542	3.0
290.09482	2.0
291.10037	3.2
293.11691	2.6
295.09564	2.5
297.11243	13.4
299.12732	2.2
301.08331	2.5
303.10037	2.9
305.11621	3.3
307.09641	3.9
309.11139	8.9
310.11932	3.8
311.12784	7.4
315.12323	5.0
317.11658	2.4
319.09460	1.8
321.11197	3.8
323.12784	3.2
327.12292	9.1
329.13876	16.3
330.14151	2.0
331.15433	6.8
333.11078	2.5
335.12762	4.3
337.14316	6.6
347.12823	3.1
349.14481	4.4
355.15359	17.7
367.15289	20.2
379.15439	2.1
383.15213	2.3
385.16373	3.4
397.16406	42.1
415.17328	5.8
431.14786	2.5
438.34448	2.2
445.16577	3.3
459.17941	3.9
475.16986	2.5
477.19022	6.1
479.20810	2.1
489.18872	5.6
503.20602	3.3
507.20062	4.2
515.20349	3.2
609.24677	5.6
627.25604	6.9
633.23553	2.9
639.25867	4.4
657.26886	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	752.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37891	1.6
59.40169	1.7
69.09750	11.6
111.73972	1.6
113.89973	1.4
185.48488	1.4
211.73726	1.6
280.62808	2.2
283.24219	1.7
347.01801	1.7
413.17557	3.5
414.18240	2.8
415.19070	6.1
427.19052	3.4
428.20001	4.1
429.20657	17.7
443.22546	11.1
444.23123	3.7
445.19763	1.9
455.18533	2.0
457.24142	4.4
458.25067	8.3
459.21030	7.7
460.21902	2.4
472.22397	6.5
473.22885	5.2
485.23553	13.3
486.24390	3.9
500.21896	2.4
513.22754	2.2
514.23517	2.6
517.25903	7.4
545.25421	88.9
546.25470	5.0
573.24988	15.5
591.46606	2.0
605.27490	100.0
606.27954	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	752.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	65.6
59.04993	1.3
63.76358	0.8
69.03399	1.3
69.39325	4.2
71.04994	0.9
71.08614	1.1
73.06537	4.5
82.21185	0.8
87.04455	25.0
89.06018	100.0
91.05457	6.8
93.07033	3.1
95.04972	3.2
103.05508	2.0
105.07027	2.3
106.95736	0.8
107.04986	1.2
107.07077	3.3
107.08558	3.0
109.06520	1.8
113.13311	1.0
117.07033	1.2
117.09113	2.7
118.07787	4.4
119.04916	4.5
119.08582	4.9
121.06489	20.2
128.49928	0.8
130.08572	0.8
131.07014	12.1
131.08531	1.2
133.08585	67.0
134.08894	1.4
135.08026	4.9
137.27586	0.8
147.08026	12.8
149.09604	3.8
149.13147	0.9
150.06721	4.1
159.11652	2.3
163.07491	1.1
163.11171	2.5
165.09091	9.1
167.10689	2.0
173.09709	1.1
175.09642	7.2
177.11209	27.7
177.12685	2.5
184.75708	1.1
191.10692	3.8
193.12166	1.6
205.04926	4.4
209.11725	3.0
211.13200	4.4
219.12161	2.1
221.13789	6.4
223.15334	1.5
229.89705	0.9
233.18958	19.9
235.13243	2.4
247.20427	1.1
255.15939	3.2
259.20593	4.4
265.16479	1.5
275.23837	1.8
277.21582	28.7
278.22079	1.3
279.16046	2.0
282.71426	0.8
283.17450	2.4
299.18463	1.3
303.23102	3.8
309.18924	1.9
321.24161	9.4
327.16144	1.1
327.20047	2.0
353.21552	1.7
413.11365	0.9
623.36096	2.8
639.62640	1.1
735.49103	5.9
752.51666	8.8
776.77014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82237	0.9
59.42949	0.8
63.26929	0.8
70.91885	0.9
82.44120	0.9
98.97588	1.2
102.40970	0.9
111.78664	0.9
115.03965	1.3
132.08443	1.0
137.87912	0.9
146.05997	1.1
188.07140	2.0
194.99806	0.9
205.09732	1.1
213.00749	1.1
213.17976	0.9
219.01979	1.1
237.02797	2.2
280.10110	1.0
313.02072	0.9
336.24847	1.0
359.77228	0.9
495.09698	1.1
753.18365	100.0
754.19073	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	753.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88237	1.5
59.19157	1.6
63.63169	1.9
67.40157	1.5
91.05482	1.6
109.10201	1.6
112.07954	1.6
138.14561	1.8
148.80167	1.6
151.30476	1.6
154.30956	1.6
237.74698	1.5
256.55765	1.6
331.60544	1.9
351.96103	1.7
389.95389	1.9
457.38922	1.7
753.25043	100.0
754.25061	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	753.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
62.73593	1.0
69.03439	1.1
71.04981	2.6
73.02894	1.3
79.05492	1.8
81.07049	1.8
85.02881	5.8
93.07040	2.0
93.15476	0.8
95.08605	2.2
97.02920	2.1
105.07028	1.1
107.08597	2.2
109.10139	2.1
111.04426	1.2
115.03901	1.8
119.08604	2.8
121.10147	2.0
129.05484	2.6
133.10098	1.4
147.06500	1.0
147.11725	0.9
149.13223	1.2
159.04140	2.2
159.11678	1.0
185.05801	1.0
189.16426	2.2
190.16690	1.8
201.16589	1.0
203.17905	1.4
410.35205	1.2
437.34305	1.0
438.34589	4.0
456.35623	1.5
739.38098	1.1
753.24963	100.0
754.25482	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	753.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	24.2
60.01418	2.9
60.19176	2.9
61.31753	2.7
78.31834	2.6
96.43495	2.7
98.92088	3.3
98.97569	61.9
110.97552	11.3
112.99107	16.1
114.36467	2.9
116.98601	33.2
124.99108	3.2
128.98582	18.4
131.00148	33.0
134.99638	10.4
140.98582	4.2
143.00179	10.7
146.99658	11.8
149.01199	31.7
158.99606	33.7
161.01253	12.7
167.02260	8.7
170.99606	34.2
173.01183	9.0
177.00676	32.5
180.97891	2.8
185.01210	5.9
189.00633	34.9
191.02274	6.8
199.02818	6.7
200.02356	5.3
201.00690	9.2
203.02206	6.9
213.00711	3.8
215.02188	4.3
217.03732	6.4
219.01768	27.5
231.01709	4.4
237.02875	12.4
243.87006	3.1
255.04022	3.7
261.02740	22.2
263.84909	3.2
275.04285	5.3
279.03845	19.2
291.03989	4.0
293.05307	40.6
297.04935	8.6
302.05353	3.3
309.04834	4.7
311.06412	15.1
313.20389	13.2
321.04846	100.0
322.05206	3.4
331.21515	10.5
339.05878	6.8
362.07584	5.5
381.07224	6.2
437.09708	21.2
455.10706	39.5
515.31549	3.1
517.26093	3.1
531.28241	10.8
677.36938	12.2
693.33575	68.1
694.33344	3.5
715.31305	4.4
739.24298	3.3
753.42004	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	754.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03901	0.7
70.79310	0.6
72.72729	0.6
79.05479	2.0
81.07064	1.1
91.05478	7.1
94.04164	3.2
95.04973	1.3
95.08640	0.7
101.47253	0.6
103.05446	2.8
105.07048	1.7
107.04978	1.9
109.06478	0.6
113.05855	0.7
113.99096	0.7
115.05460	1.3
117.07073	0.9
119.04935	5.1
121.06464	1.7
122.03635	8.8
128.06274	0.9
131.04897	5.8
133.02844	1.3
133.06483	2.1
135.04414	4.1
135.07964	1.2
136.05150	1.2
137.05957	100.0
138.06261	1.0
141.06995	0.6
145.06435	2.0
146.03612	1.1
147.04379	2.8
147.08040	1.7
149.05972	4.4
151.03946	0.7
151.07520	17.9
153.05476	1.0
159.08049	1.6
161.05954	6.8
163.07533	12.0
165.05606	0.7
165.06958	2.3
165.09120	2.6
166.07698	0.7
167.07063	1.9
171.07980	1.3
174.06747	1.5
175.07559	4.3
177.05544	1.3
177.09068	6.8
179.08548	0.8
181.06462	1.6
182.07204	1.1
182.34517	0.7
187.07504	1.5
189.06715	0.7
189.09108	3.0
193.06476	1.4
194.07249	1.6
195.08032	1.4
196.08893	0.8
201.09100	3.0
203.08896	0.9
203.10599	3.2
205.06493	1.8
210.06726	1.6
211.07524	1.0
213.09128	1.8
219.08153	0.8
219.10114	1.2
221.05983	2.5
221.11760	1.2
222.06732	1.5
223.07430	1.0
224.08206	1.2
225.09117	3.1
227.10663	1.8
231.08112	1.0
235.07503	1.1
237.09081	1.7
239.06961	1.1
239.10712	0.8
240.07701	1.1
248.08244	1.0
249.09059	1.4
250.06271	0.8
251.10582	1.1
252.07854	1.5
253.08646	3.5
255.10121	1.0
261.08997	0.8
265.08524	4.7
266.51483	0.7
267.10159	1.7
268.07236	1.8
275.10895	0.7
277.08569	2.4
279.10083	1.6
282.08771	1.3
283.09598	5.4
284.10181	0.9
285.11234	5.4
287.12930	3.6
291.10190	2.4
293.08081	0.9
295.09915	1.2
297.11200	9.1
299.12762	2.9
306.08777	1.0
307.09500	1.3
307.13089	1.3
309.11267	4.2
311.12720	4.6
313.14270	0.7
315.12302	1.3
321.11157	1.8
323.12781	3.6
325.14313	1.1
335.12811	1.4
337.14380	1.1
339.16013	0.7
349.14288	1.8
351.15842	1.7
353.13638	0.7
361.14615	0.9
367.15396	0.9
369.16989	1.1
447.18027	1.5
459.17938	0.9
471.17715	0.9
473.19324	1.3
479.19064	1.0
485.19858	1.5
487.21378	1.0
491.20813	1.2
493.22092	1.0
497.20917	0.9
499.21130	2.0
503.20123	1.1
511.21014	2.0
517.21997	2.9
518.35651	0.7
521.21216	1.4
621.24683	0.8
623.26318	1.9
635.25867	1.1
641.27277	2.6
653.27649	3.1
659.27496	0.7
671.28497	1.0
754.25934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
55.01835	1.0
55.05503	5.3
57.03396	1.2
57.84572	0.3
59.23393	0.3
65.03944	1.4
67.05454	0.6
68.99775	1.4
69.03419	2.5
71.01325	0.5
71.04987	2.6
72.83454	0.3
73.02885	0.7
77.03884	0.8
79.05448	0.7
81.03407	3.2
81.07014	0.3
83.04967	32.2
84.05281	0.5
85.02887	15.5
87.04440	0.7
89.03884	0.7
91.05428	0.4
95.04919	0.9
97.02865	1.5
98.23486	0.9
99.04398	0.9
103.03928	0.4
105.03355	1.7
107.04942	1.5
109.02849	2.5
111.00751	0.9
111.04424	6.7
115.05470	0.4
117.03353	0.7
117.07023	0.3
119.04893	0.4
121.02845	27.4
121.03859	1.5
121.06371	0.4
123.04375	1.2
127.03883	2.4
129.04582	0.6
129.05463	9.4
129.06937	0.7
131.04866	0.4
133.02803	4.1
134.03558	1.1
135.04387	1.9
137.02316	2.8
137.05971	0.3
139.03835	0.8
145.02831	1.6
145.04874	0.5
145.06427	0.6
147.04385	2.8
151.03883	0.6
153.01805	6.5
155.04910	0.6
157.06432	0.7
159.04378	0.5
161.02296	0.7
161.05927	1.1
162.03125	0.5
163.03873	9.8
165.01791	3.1
171.04323	0.5
173.05910	0.5
175.03911	0.7
179.03336	0.9
183.02823	1.3
183.04314	0.7
185.05931	1.1
187.03856	0.7
189.05380	0.7
195.04356	0.3
197.05946	0.9
199.03752	0.5
201.05403	0.7
201.38211	0.3
203.03343	0.7
211.03810	0.4
213.05399	2.9
215.03313	0.8
223.03839	0.5
225.05435	0.8
227.03426	0.3
229.04813	1.4
231.06429	1.2
236.37613	0.3
239.03461	0.7
241.04919	2.8
243.02722	0.4
243.06265	0.4
253.04929	1.2
257.04413	11.4
258.05167	2.5
259.05887	0.7
269.04318	1.9
271.07510	0.9
271.43671	0.3
277.06989	0.5
281.04395	1.1
285.03839	1.7
286.04575	2.5
287.05435	100.0
288.05731	3.5
289.03351	0.8
289.08578	0.8
297.03922	0.5
299.05585	1.2
309.04044	0.7
310.04669	0.9
311.05545	1.0
315.05264	0.5
317.08121	1.5
325.03333	0.7
327.05124	1.2
335.09140	0.9
337.03598	0.6
345.07404	3.0
349.06699	0.4
359.05338	0.3
363.08627	1.2
373.06989	3.9
374.07407	0.6
377.06497	0.9
391.08023	24.1
392.08472	1.4
401.06570	1.4
402.06927	0.4
403.08240	0.5
405.05945	4.9
418.06741	0.7
419.07532	57.6
420.07898	3.4
421.09131	4.2
429.05664	1.6
431.07550	0.8
433.09564	0.4
445.05536	0.4
446.06577	0.5
447.07022	26.6
448.07455	1.2
459.07092	1.3
461.08710	0.7
465.08112	5.6
515.09998	0.6
529.10730	0.6
539.09827	0.7
557.10773	0.8
561.21039	0.3
563.11987	0.4
573.10193	0.7
591.11249	3.7
609.12274	20.9
610.12573	1.1
627.13324	1.3
701.14349	0.8
755.17621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.1
55.01843	0.5
55.05505	6.4
57.03398	1.4
65.03897	1.2
67.05467	0.3
68.99764	1.5
69.03419	2.5
70.84627	0.4
71.01340	0.4
71.04992	2.5
73.02888	0.5
77.03902	0.5
79.05483	0.3
81.03413	2.8
83.04967	32.5
84.05249	0.4
85.02888	16.6
86.31499	0.3
87.04424	0.6
89.03887	0.4
93.03378	0.4
95.04951	0.8
97.02858	1.7
99.04388	0.8
105.03345	2.1
106.10303	0.4
107.04911	1.3
109.02842	2.3
111.00742	1.1
111.04419	8.2
117.03314	0.6
119.04899	0.4
121.02849	25.9
121.03846	1.4
121.06425	0.4
122.03174	0.6
123.04371	0.8
123.14686	0.4
127.03905	1.9
129.05460	11.0
129.06920	0.6
133.02821	3.5
134.03551	1.2
135.04340	1.4
137.02306	2.4
139.03827	0.8
141.07045	0.5
145.02798	1.1
145.04851	0.5
145.06459	0.6
147.04367	2.2
153.01797	5.4
157.06462	1.0
161.02179	0.4
161.05989	0.7
163.03888	11.1
165.01796	3.0
169.06363	0.4
171.04362	0.7
173.05994	0.5
175.03841	0.6
177.05531	0.4
179.03348	1.0
183.02890	0.9
183.04370	0.5
184.05055	0.4
185.05867	0.9
187.03806	0.7
189.05350	0.8
197.05995	0.6
201.05373	0.6
203.03448	0.6
205.05000	0.4
211.03732	0.8
213.05426	3.4
215.03348	1.3
225.05533	0.6
229.04932	1.3
231.06471	1.0
239.03238	1.3
241.04875	2.8
243.02844	0.7
245.04262	0.7
253.04817	1.1
257.04391	11.6
258.05124	2.2
259.06061	0.5
269.04324	2.0
271.07596	0.6
277.07092	0.4
281.04364	1.5
283.02414	0.5
285.03802	1.8
286.04605	2.6
287.05444	100.0
288.05768	3.7
289.03339	1.3
289.08575	0.9
299.05435	0.7
303.06534	0.4
305.06519	0.8
309.04056	0.8
310.04703	0.6
311.05521	1.0
317.08005	1.1
321.07977	0.4
324.07803	0.4
325.03351	0.6
325.09320	0.5
327.05051	1.2
331.05722	0.4
335.08975	0.7
337.03363	1.1
345.07474	2.4
349.06796	0.5
363.08563	1.0
373.07025	2.6
375.08170	0.4
377.06583	1.2
391.08029	21.7
392.08426	1.5
401.06476	0.8
403.08044	0.5
405.05948	5.9
406.06403	0.5
418.06781	0.8
419.07541	57.2
420.08069	3.7
421.09055	4.2
429.06018	1.3
433.09357	0.5
445.04953	0.4
447.07047	32.9
448.07394	1.3
459.07156	1.6
461.08334	0.9
465.08142	5.1
466.08316	0.4
489.07828	0.4
511.10120	0.7
529.11169	0.6
539.09888	1.3
557.11169	0.4
573.10529	0.5
581.92487	0.3
591.11249	4.6
592.11646	0.4
609.12286	25.2
610.12421	1.2
627.13593	1.0
701.14807	0.6
755.17041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01843	0.6
55.05505	6.3
55.68891	0.4
57.03404	1.3
62.78810	0.4
65.03900	1.3
68.99418	0.5
68.99769	1.6
69.03419	2.5
69.81580	1.5
70.06530	0.5
71.04988	2.1
73.02907	0.8
77.03895	0.7
81.03410	2.9
82.97042	0.4
83.04969	32.6
85.02893	16.0
86.84380	0.5
87.04420	0.5
90.49967	0.4
91.05422	0.5
95.04918	0.5
97.02851	1.9
98.81395	0.5
99.04422	1.0
103.03901	0.4
105.03351	1.9
105.07000	0.6
107.04903	1.3
109.02860	2.5
111.00803	0.5
111.04442	6.1
115.05399	0.6
117.03326	0.5
119.04893	0.6
121.02847	24.8
121.03792	1.1
122.03172	0.5
123.04358	1.0
127.03854	2.0
129.04459	0.4
129.05447	9.2
131.04915	1.1
133.02837	4.4
133.06447	0.5
134.03583	1.4
135.04367	1.4
137.02354	2.6
137.05956	0.8
139.03873	1.2
139.05487	0.4
145.02809	1.6
147.04361	2.1
147.62418	0.5
149.05956	0.5
151.03938	0.8
153.01802	5.8
157.06467	1.1
161.02316	0.6
161.05957	1.6
162.03117	0.7
163.03886	8.6
163.07506	0.7
165.01776	2.5
173.05917	0.8
175.03767	0.6
175.07474	0.7
179.03435	1.1
183.02893	0.9
185.05972	1.2
189.05521	0.6
189.09088	0.6
197.05891	0.7
201.05464	0.5
203.03326	0.9
207.10115	0.8
211.03850	0.5
213.05403	1.8
215.03343	0.9
225.05417	0.6
229.04970	1.3
231.06490	1.2
233.07263	0.4
239.03380	0.5
241.04944	3.1
243.02768	0.6
253.04919	0.9
257.04398	10.6
258.05203	2.0
259.05841	0.6
269.04437	2.0
271.07507	0.7
281.04324	1.4
285.03934	1.9
286.04718	2.5
287.05450	100.0
288.05811	3.6
289.03430	0.7
289.08569	0.9
297.03848	0.6
299.05426	0.9
309.03827	0.6
310.04510	0.6
311.05463	1.0
317.07996	0.9
325.03445	0.6
327.05075	0.7
335.09180	0.5
337.03464	0.5
345.07507	2.4
355.04755	0.6
363.08557	0.8
373.06931	3.6
377.06549	1.5
391.08041	28.3
392.08365	1.3
401.06348	1.1
403.08179	0.7
405.06161	4.7
418.06558	1.0
419.07547	59.3
420.07898	3.9
421.08997	4.5
429.06012	1.5
447.07065	28.2
448.07391	1.2
459.06924	0.8
465.08176	4.8
489.08231	0.6
501.09525	0.5
507.09134	0.7
511.10138	0.8
515.09772	0.7
529.11469	0.6
539.09784	0.7
557.10419	0.6
591.11176	3.7
593.13306	0.4
609.12305	20.1
610.12665	1.0
627.12866	1.2
755.18439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
57.03428	0.7
64.14420	0.1
67.01850	0.3
68.99799	0.3
69.03407	0.1
69.29503	0.5
71.01342	0.2
71.04990	2.9
73.02905	0.2
81.03411	0.2
83.04971	0.8
85.02897	4.5
87.04468	0.1
91.05476	0.2
95.01312	0.3
96.17663	0.1
97.02858	0.3
98.22645	0.1
111.04440	0.3
119.04928	1.3
121.02850	0.8
127.03906	0.3
129.05475	0.8
137.05960	0.1
141.01830	0.8
145.02809	0.5
145.04974	0.2
151.51855	0.1
153.01811	3.4
153.03046	0.2
154.02150	0.1
159.02945	0.2
163.03905	0.4
168.67209	0.1
171.02914	0.4
203.03294	0.1
203.06982	0.2
225.05464	0.3
229.04987	0.3
240.91473	0.1
243.06520	0.2
247.05928	0.2
271.05966	100.0
272.06320	3.3
287.05341	0.1
313.07025	0.2
337.06992	0.1
377.06592	0.4
405.05969	1.0
427.60565	0.1
433.11337	1.4
447.07361	0.6
609.14417	5.3
610.14618	0.3
727.73517	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	755.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93016	0.5
59.87559	0.5
69.99596	0.7
69.99915	1.0
94.08736	0.5
122.67766	0.5
161.03014	0.6
175.36533	0.6
203.04201	0.5
245.05188	0.6
299.06287	1.1
317.08279	3.3
359.08615	0.7
419.11148	0.6
431.11755	2.2
461.12457	2.8
473.12823	1.7
479.13467	0.6
503.13577	1.9
533.14587	1.9
547.16260	1.1
575.15063	1.8
593.16742	9.4
635.17889	8.5
665.18909	3.7
695.20038	7.0
755.22070	100.0
756.22363	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	755.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41308	0.4
59.32422	0.5
69.03420	0.8
70.40958	0.8
81.03412	0.5
85.02904	2.0
91.02692	0.4
97.02879	100.0
98.03225	1.1
100.09090	0.4
105.03356	0.4
109.02863	0.6
118.06506	0.4
119.05034	0.5
120.08137	0.4
121.02852	15.0
121.03748	0.8
127.03886	1.1
132.04465	0.5
133.02794	0.9
145.05022	0.5
146.05984	31.6
147.06346	0.4
151.03879	2.8
153.01834	1.3
170.05930	0.6
174.05470	9.2
184.07639	0.5
188.07028	14.3
192.06522	28.2
193.06947	0.6
196.07643	0.5
212.07071	1.8
216.06560	1.6
217.04927	8.0
224.06865	0.4
234.07588	2.7
235.05992	5.0
249.54613	0.4
253.07037	6.0
258.07596	0.5
270.07596	0.9
271.05960	18.0
287.05457	5.4
336.10504	0.5
354.11761	10.6
355.11987	0.4
397.10922	0.5
403.08130	4.2
405.09741	0.4
431.07578	3.2
437.01822	0.5
442.68781	0.4
593.13287	0.6
716.37842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38126	1.9
63.84686	1.7
69.79716	1.6
71.57735	1.5
85.02891	3.0
98.97541	2.0
109.60757	1.7
116.22534	1.5
128.04951	3.3
146.05984	100.0
158.05974	4.5
160.07553	2.9
188.07033	12.8
190.04948	11.0
201.91660	1.7
204.82689	2.0
208.06027	23.1
212.06979	3.7
299.80688	1.9
308.11206	4.4
352.10205	4.5
370.11179	9.4
389.08591	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	756.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.8
55.05506	15.2
57.03424	8.5
64.47591	2.9
67.05486	21.1
69.07044	3.4
70.67105	6.3
79.05486	19.8
81.03407	47.8
81.07054	18.9
83.04949	4.2
83.08616	16.7
83.69220	2.9
85.02884	3.1
89.24925	2.4
91.05495	18.3
93.07006	17.0
95.04946	25.9
95.08589	9.1
97.06552	3.8
97.10170	16.5
105.07011	11.6
107.04945	12.3
107.08578	10.1
109.06501	8.7
109.10187	3.8
111.08077	5.5
117.07019	5.8
119.08566	11.4
121.06476	9.8
121.10121	6.6
123.08080	6.4
125.09634	15.7
129.06993	8.2
131.04922	3.7
131.08557	7.3
133.06462	4.8
133.10112	4.8
135.08055	6.1
135.11665	3.1
137.09598	3.6
141.06924	3.3
143.08527	2.7
145.06445	6.2
145.10133	7.2
147.08046	4.7
147.11627	4.7
149.09566	7.2
153.09052	3.2
157.10109	7.3
159.11720	3.6
163.11166	8.3
171.08061	3.0
175.11179	4.4
189.11153	6.6
189.12756	3.8
193.12279	14.4
197.09604	2.7
201.12965	2.8
219.13654	4.2
233.15366	3.4
267.15857	44.1
273.14792	6.1
367.22604	12.5
385.23669	24.5
403.24658	11.6
409.91437	3.2
441.26273	9.3
459.27347	100.0
460.27856	3.9
477.28445	86.4
478.28598	5.3
491.29715	13.7
509.31058	5.0
515.41431	2.7
788.29395	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	2.8
53.03931	3.0
55.01855	2.5
55.05502	18.5
56.96104	0.7
57.03431	11.4
57.07059	1.4
59.04978	2.0
61.02903	2.9
65.03935	1.4
67.05492	39.7
69.03402	2.9
69.07058	9.2
69.63203	0.8
69.63544	2.6
71.01329	1.4
71.04984	1.4
73.02903	1.7
77.03892	0.9
79.05476	30.3
79.05940	1.5
81.03395	4.6
81.07042	42.4
83.04960	3.2
83.08603	11.6
85.02869	3.7
85.06545	1.9
91.03918	1.6
91.05465	27.7
93.07028	35.5
95.04936	6.6
95.08588	26.5
97.02880	6.3
97.06506	4.8
97.10169	2.6
99.00793	17.6
99.08082	1.4
101.02396	0.9
105.07014	23.6
107.04333	0.9
107.04937	5.3
107.08575	20.8
109.02866	10.6
109.06484	3.4
109.10133	14.4
111.04456	0.9
111.08051	4.1
113.09577	0.9
115.03900	1.9
117.07024	4.5
119.04909	1.0
119.08566	12.8
121.06496	7.0
121.10117	11.1
123.04369	1.0
123.08067	1.5
123.11679	6.2
125.09613	1.6
127.03021	0.8
127.03908	3.4
129.06975	1.0
131.08545	6.6
133.06464	2.0
133.10106	35.0
134.10414	1.1
135.11676	8.9
135.81133	0.7
137.05934	1.7
137.09552	1.2
137.13248	0.8
139.07550	2.7
143.08528	5.3
145.10117	5.2
147.11670	3.3
148.83293	0.7
149.13210	2.6
151.11165	9.3
153.06955	1.1
153.12370	0.8
159.11693	3.9
161.09586	15.5
161.13210	3.1
162.03000	0.8
163.11131	0.8
163.14804	3.1
165.09134	1.0
171.08015	3.1
173.13226	3.7
176.75543	0.7
177.16376	0.9
179.10611	9.5
184.07320	3.0
187.14804	1.5
189.09081	5.6
197.11685	2.2
207.10149	4.2
211.13341	0.8
225.09079	1.5
225.11157	15.6
227.12631	1.1
243.12239	2.5
243.20981	6.0
259.20456	0.8
261.22116	17.5
277.21552	1.2
279.23065	0.7
281.13754	3.4
287.23529	1.0
299.14835	100.0
300.15210	3.3
315.23172	2.5
317.24634	2.7
335.25732	78.5
336.26074	3.6
367.93854	0.8
449.30432	2.0
457.32776	1.1
467.31641	4.3
483.77460	0.9
485.32913	1.4
513.35571	1.6
515.36621	1.1
523.34265	1.0
531.36353	1.7
541.35175	5.6
545.38239	1.6
559.36237	32.5
560.36096	2.2
577.37268	2.1
768.58868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	3.6
53.03935	2.9
55.01862	3.7
55.05501	20.8
57.03424	13.8
57.07061	2.9
59.04996	2.1
61.02916	4.5
64.61668	1.4
65.03927	2.6
67.05492	51.1
67.22781	1.1
67.39275	1.4
69.03416	1.7
69.07063	12.6
71.04969	2.0
71.88560	1.1
73.02917	1.5
79.05478	39.7
81.03413	3.6
81.06560	2.5
81.07043	52.5
83.04967	4.0
83.08611	12.9
85.02898	4.6
85.06518	3.4
86.09712	1.6
91.03925	1.7
91.05463	36.1
93.07024	45.2
95.04960	8.9
95.08588	31.8
97.02858	6.7
97.06513	6.0
97.10152	2.8
99.00784	14.1
103.05443	1.4
105.04485	1.6
105.07015	25.2
107.04909	7.0
107.08570	22.4
109.02859	11.3
109.06550	3.7
109.10133	13.2
111.04423	1.7
111.08050	7.1
115.03931	2.2
117.06997	4.8
119.08541	16.7
121.06470	6.6
121.10125	16.9
123.04392	2.6
123.08085	2.1
123.11682	5.1
127.03912	2.8
128.06183	2.4
129.07047	1.8
131.08539	8.8
133.10106	39.6
135.08038	1.8
135.11664	9.7
137.09636	2.4
137.13229	1.4
139.07552	2.0
143.08559	5.2
145.10107	7.2
147.08051	1.6
147.11688	4.9
149.13248	5.8
151.11147	7.5
153.06924	1.7
159.11729	3.8
161.09587	19.0
161.13248	4.6
163.14822	2.0
166.76366	1.4
168.14572	1.5
171.08049	4.1
173.13249	3.9
179.10680	8.3
184.07294	7.8
187.14813	1.5
189.09053	8.3
197.11667	1.9
201.16302	1.6
207.10129	4.7
225.11163	11.3
243.12254	2.7
243.21069	4.6
246.13139	1.2
252.66168	1.4
261.22119	17.5
277.21588	2.3
281.13852	5.3
283.15338	1.5
299.14835	86.8
300.15234	2.3
315.23145	2.8
317.24771	4.5
335.25729	100.0
336.26074	4.7
372.16287	1.5
449.30917	2.2
459.39706	1.4
467.31647	2.9
469.21335	1.6
485.32477	3.5
513.35626	2.0
531.37006	2.5
541.34991	8.3
559.36218	49.9
560.36310	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	757.196
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03939	0.4
55.01870	0.2
55.05498	0.3
57.03424	0.2
63.02344	0.6
68.99791	0.3
69.03412	1.1
69.19444	0.1
69.25584	0.6
70.06575	0.2
71.04980	0.2
73.02914	0.1
77.03905	0.1
79.05484	1.0
81.03405	2.9
83.04969	1.4
83.24930	0.1
85.02888	1.4
86.69930	0.1
89.03898	6.4
91.05427	0.1
95.04966	0.5
96.62642	0.1
97.02860	0.6
99.04443	0.3
105.03315	0.1
105.04449	0.2
105.31882	0.1
107.04932	2.0
109.02862	1.2
111.00776	0.1
111.04430	1.0
117.03355	8.5
119.04896	0.2
121.02846	1.9
122.03196	0.1
123.04374	0.1
127.03878	0.5
129.05449	0.3
135.04390	17.7
136.04733	0.2
137.02347	0.3
145.02821	12.4
147.04350	0.3
153.01788	1.0
157.06424	0.1
157.64008	0.1
163.03870	100.0
164.04207	1.8
165.01788	0.5
181.04941	3.8
183.02888	0.4
186.05432	0.1
197.05960	0.1
203.06812	0.1
213.05357	0.5
229.08553	0.1
231.06436	0.3
241.04961	0.3
245.04384	0.1
258.05191	0.3
259.05930	0.2
269.04044	0.1
271.05954	0.7
273.07562	0.4
283.05920	0.3
286.04672	0.2
287.05438	20.3
288.05682	1.0
289.06094	0.1
299.05453	1.5
300.06128	0.3
307.08063	4.2
311.05447	0.4
313.07010	0.2
325.09235	2.8
328.14157	0.1
329.06442	1.5
337.06946	0.2
341.06512	0.1
351.08871	0.1
353.06366	0.6
359.07538	0.1
379.07977	0.5
391.07852	0.1
397.09103	1.5
415.10138	1.1
417.11359	0.1
419.07611	0.2
420.07867	0.2
421.08057	0.2
433.11215	1.8
595.15833	0.1
611.12524	0.1
644.17816	0.1
728.90906	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	757.1972
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.00314	0.1
53.03928	0.3
55.01851	0.2
55.05494	0.2
55.72904	0.1
57.03419	0.2
63.02364	0.3
65.01488	0.1
65.03918	0.1
69.03422	1.1
69.06504	0.5
69.06927	0.4
71.04964	0.2
79.05491	1.0
81.03406	3.0
82.25754	0.1
83.04961	1.4
85.02888	1.1
89.03903	6.0
91.05444	0.2
95.04958	0.4
97.02876	0.4
99.04469	0.3
101.04932	0.1
105.04502	0.1
107.04942	1.9
109.02856	1.0
110.59505	0.1
111.04454	0.7
117.03362	6.5
118.03685	0.1
119.04887	0.1
121.02845	1.7
123.04414	0.1
127.03918	0.6
129.05455	0.2
133.02838	0.2
134.03558	0.2
135.04399	14.6
135.93356	0.1
136.04784	0.2
137.02342	0.2
137.05859	0.1
145.02829	10.7
146.03163	0.2
147.04376	0.2
148.60423	0.1
153.01825	0.8
157.06418	0.2
163.03879	100.0
164.04208	1.9
165.01831	0.6
171.02771	0.2
181.04926	3.7
185.05962	0.2
186.05479	0.2
206.58846	0.1
213.05399	0.4
241.04962	0.3
258.05011	0.4
259.05832	0.2
273.07492	0.3
287.05457	20.4
288.05762	0.9
289.05908	0.2
299.05496	1.6
300.06140	0.2
307.08075	4.4
311.05493	0.5
313.07239	0.1
325.09259	2.6
326.09521	0.3
329.06506	2.1
335.09183	0.1
337.06802	0.1
351.08658	0.2
353.06619	0.7
379.08078	0.5
397.09177	1.6
415.10281	0.9
421.08054	0.2
433.11191	1.6
462.12314	0.1
595.16107	0.3
608.87390	0.1
611.13055	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	757.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.05496	0.4
57.03423	0.3
63.02365	0.3
65.03934	0.2
68.99791	0.3
69.03415	1.2
69.64621	0.4
70.06577	0.8
71.04976	0.5
73.02902	0.2
77.03892	0.2
77.83042	0.1
79.05480	0.9
81.02956	0.2
81.03410	3.2
83.04968	1.9
84.05299	0.2
85.02896	2.2
86.09701	1.0
87.10012	0.1
89.03903	5.7
90.04208	0.1
95.04945	0.5
97.02882	1.0
99.04442	0.4
105.81252	0.1
107.04937	1.9
107.63313	0.1
109.02867	1.1
111.00771	0.2
111.04417	0.6
117.03363	6.8
118.03729	0.1
121.02842	2.0
122.03091	0.2
123.04379	0.1
127.03898	0.8
129.05469	0.4
133.02789	0.2
134.03709	0.1
135.04398	16.3
136.04752	0.3
137.02330	0.4
145.02831	11.6
146.03139	0.3
147.04385	0.3
153.01802	1.1
157.06429	0.1
161.05948	0.2
163.03879	100.0
164.04221	2.1
165.01825	0.4
175.03928	0.1
181.04930	3.1
182.05255	0.1
183.02913	0.3
185.05818	0.2
186.05408	0.1
207.10089	0.2
213.05397	0.5
229.04921	0.1
231.06448	0.2
241.04912	0.3
245.04303	0.2
257.04254	0.2
258.05191	0.3
259.05890	0.2
271.05978	0.2
273.07626	0.3
286.04663	0.2
287.05457	28.4
288.05792	1.9
289.06073	0.5
291.08606	0.1
299.05475	1.1
300.06219	0.2
303.04889	1.4
307.08081	4.0
308.08224	0.2
311.05225	0.3
325.09198	2.8
329.06442	1.3
337.06992	0.2
353.06415	0.6
353.20462	0.1
379.07919	0.5
392.07971	0.2
397.09039	1.3
415.10062	0.6
419.07635	0.2
420.07751	0.5
421.08292	0.6
433.11148	1.2
447.06677	0.1
448.07385	0.2
449.11057	1.3
595.16272	0.1
611.12683	0.4
756.42371	0.5
757.41138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1964
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
57.03418	0.1
60.49905	0.1
63.02370	0.2
67.01845	0.5
68.99792	0.4
69.03061	0.2
69.03418	3.0
69.79104	0.2
69.79491	0.2
79.05470	0.3
81.03400	0.2
81.45658	0.1
85.02876	0.2
89.03900	1.7
91.05456	0.4
94.35863	0.1
95.04948	0.2
97.02244	0.1
97.02873	2.5
98.03209	0.6
98.23390	0.1
99.03281	0.1
107.04951	0.6
109.02855	0.3
111.50107	0.1
113.30769	0.1
117.03365	2.1
119.04919	1.8
121.02834	1.1
127.03895	1.6
129.01799	0.1
135.04391	5.0
136.04675	0.1
145.02823	5.4
145.15259	0.1
146.05965	0.5
147.04376	0.3
147.06310	0.3
153.01794	4.7
155.04875	0.1
157.06422	0.1
161.05939	0.1
163.03867	47.5
164.04213	1.0
169.06439	0.1
171.02887	0.6
173.05843	0.1
174.05489	0.1
175.03824	0.1
175.05745	0.1
181.04926	0.5
185.05927	0.1
187.03819	0.1
188.07071	0.2
189.07436	0.1
192.06500	0.5
193.06908	0.2
203.06972	0.2
216.05971	0.1
217.04964	0.2
225.05341	0.6
229.04938	0.4
243.06448	0.3
247.06018	0.3
250.99580	0.1
271.05942	100.0
272.06281	2.9
287.05460	0.6
307.08072	2.5
325.09106	4.7
326.09521	0.1
334.04114	0.1
355.12286	0.1
433.11276	1.1
563.01471	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	757.1962
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03929	0.3
55.01854	0.4
55.05494	0.3
57.03426	2.5
57.61114	0.2
63.02365	0.2
69.03075	0.3
69.03422	5.1
70.14629	0.6
71.04982	17.4
71.70154	0.2
75.04459	0.5
79.05471	0.6
81.03414	0.5
83.04945	0.8
85.02890	20.6
87.04449	0.3
89.03899	3.6
97.02878	0.8
97.82725	0.3
99.04443	0.4
107.04951	1.3
109.02856	0.7
111.04394	0.4
117.03355	4.8
121.02872	1.0
127.03896	2.6
129.05455	6.6
135.04396	11.1
141.86813	0.3
145.02824	8.8
145.06520	0.3
147.04340	0.3
147.06439	1.3
147.38695	0.3
153.01813	1.1
163.03873	100.0
164.04207	1.9
165.01804	0.6
175.03627	0.3
181.04929	1.9
183.02977	0.3
185.05899	0.3
213.05441	0.5
231.06293	0.4
241.04997	0.3
271.06027	0.3
287.05444	40.8
288.05740	1.4
307.08051	5.5
309.09641	0.7
325.09106	11.8
449.10818	0.4
757.24976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.218
Annotation	Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03924	0.2
55.01850	0.2
57.03435	1.5
61.02885	0.5
68.99767	0.3
69.03427	1.1
71.01314	0.2
71.04989	7.6
71.24201	0.2
73.02875	0.3
75.04456	0.4
81.03373	0.5
83.04946	0.5
85.02899	10.3
87.04433	0.3
97.02882	1.1
99.04408	0.3
100.23924	0.1
109.02856	0.5
111.00826	0.3
111.04431	0.4
113.41135	0.1
121.02873	2.0
127.03841	0.7
129.04573	0.2
129.05473	2.2
133.02805	0.4
135.04323	0.2
137.02296	0.6
145.04904	0.7
147.04396	0.4
147.06503	0.5
153.00801	0.2
153.01822	2.3
165.01849	1.5
170.85036	0.2
183.02858	0.6
185.05884	0.2
187.82104	0.1
197.05870	0.2
213.05548	1.0
231.06474	0.5
241.04895	0.6
255.04456	0.2
255.08839	0.2
256.57635	0.2
258.05228	0.8
259.05945	0.3
277.08545	0.2
287.05475	100.0
288.05826	3.6
303.04938	0.8
329.06461	0.3
379.07584	0.2
449.10764	20.4
450.11105	1.1
465.09912	0.2
541.82001	0.2
725.48499	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	757.2181
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03936	0.3
55.01873	0.2
55.05492	0.2
57.03429	0.8
61.02915	0.7
65.03938	0.1
68.99482	0.1
68.99809	0.4
69.03426	1.7
69.21844	0.5
70.06580	0.2
71.01325	0.1
71.04623	0.2
71.04989	2.3
73.02904	0.4
75.04509	0.1
81.03422	1.0
83.04971	0.8
85.02896	9.7
86.52377	0.1
87.04475	0.3
91.03963	0.3
93.82626	0.1
95.04964	0.2
97.02886	2.3
98.23394	0.2
99.04441	0.6
105.03352	0.1
107.04964	0.3
109.02857	0.8
111.00815	0.5
111.04441	0.7
121.02851	1.9
127.03907	1.9
129.05467	1.4
129.58397	0.1
133.02840	0.3
133.04962	0.2
135.04388	0.2
137.02335	0.9
141.06941	0.1
145.04948	2.2
145.06355	0.1
147.04419	0.3
147.06512	0.6
149.02312	0.1
153.01805	2.7
157.06461	0.2
161.05954	0.2
163.03883	0.3
163.05984	0.2
165.01817	1.5
171.04514	0.1
183.02859	0.7
185.05969	0.4
197.06061	0.2
213.05490	0.9
229.04976	0.6
231.06427	0.5
237.07698	0.1
239.09399	0.1
241.04854	0.7
247.06110	0.1
257.04440	0.4
258.05191	0.8
259.05841	0.3
269.04544	0.2
271.06049	0.4
272.06232	0.1
273.06577	0.1
274.04593	0.1
285.03790	0.2
287.05457	100.0
288.05792	4.1
303.04941	14.5
304.05154	0.5
329.06616	0.2
395.07883	0.1
431.09467	0.1
433.05609	0.2
433.11273	4.3
434.11685	0.3
449.10831	1.4
595.16327	0.2
611.15796	0.3
757.27173	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	757.2179
Annotation	Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03937	0.2
55.01862	0.2
55.05499	0.2
57.03437	0.6
59.04983	0.1
61.02922	0.7
65.03932	0.1
65.93172	0.0
68.99765	0.4
69.03424	1.6
71.01332	0.1
71.04984	0.9
73.02898	0.2
75.04477	0.2
79.05480	0.1
81.03410	0.8
83.04519	0.1
83.04977	1.4
85.02898	6.3
86.03244	0.1
87.04459	0.3
88.33588	0.1
91.03948	0.2
95.04960	0.1
97.02885	1.6
97.94035	0.1
99.04434	0.3
101.06008	0.1
101.08596	0.1
105.03402	0.2
107.04961	0.2
109.02862	0.7
111.00803	0.6
111.04432	0.9
121.02851	2.3
121.03787	0.1
121.06509	0.1
122.03176	0.1
127.03899	1.1
129.05461	1.6
129.06943	0.1
133.02820	0.5
135.04373	0.2
137.02319	0.6
145.04948	1.0
145.06421	0.2
147.04356	0.3
147.06471	0.3
151.03854	0.1
153.01811	2.7
157.05290	0.1
157.06430	0.3
161.05940	0.1
163.03900	0.1
163.06046	0.1
165.01833	1.4
169.06424	0.1
171.03053	0.1
171.04474	0.1
175.03847	0.1
175.07417	0.1
183.02861	0.8
185.05905	0.3
189.05409	0.2
197.06015	0.1
203.03407	0.1
203.07060	0.1
213.05418	1.1
214.05881	0.1
231.06511	0.7
237.07571	0.1
241.04883	0.8
255.08600	0.1
258.05200	0.8
259.06079	0.4
263.68671	0.1
269.04404	0.1
273.09674	0.1
286.04492	0.1
287.05460	100.0
288.05786	3.5
299.05563	0.1
303.04990	0.1
311.05948	0.1
329.06625	0.2
433.11237	3.5
434.11761	0.2
449.10596	0.3
595.16351	0.2
644.44965	0.1
757.27325	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	757.2187
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03936	0.5
53.49632	0.2
55.01854	0.8
55.05484	0.4
57.03181	0.2
57.03431	2.3
57.57781	0.2
59.05014	0.3
61.02680	0.2
61.02924	2.0
68.99780	0.3
69.03424	5.6
71.01344	0.4
71.04987	3.4
73.02910	1.7
75.04463	0.5
79.05493	0.5
81.03406	3.0
83.01315	0.3
83.04970	1.3
85.02897	22.4
86.03214	0.2
87.04459	0.5
89.03902	2.5
91.03954	1.0
92.20427	0.2
95.04936	0.2
97.02884	5.9
98.22670	0.3
99.04456	1.2
101.02338	0.3
105.03384	0.3
107.04931	1.2
109.02869	2.3
111.00776	0.6
111.04449	1.1
115.03929	0.5
117.03364	2.7
121.02863	2.7
125.02351	0.2
127.03898	3.9
129.05475	1.7
131.04922	0.2
133.02847	0.6
133.04948	0.8
135.04408	6.2
137.02324	0.6
145.02843	4.4
145.04939	4.7
145.06538	0.3
147.04407	0.8
147.06499	0.8
151.03888	0.4
153.01811	3.0
154.95349	0.2
157.06456	0.3
161.05972	0.2
163.03885	33.4
163.06079	1.1
164.04225	0.7
165.01793	1.7
176.11282	0.2
179.05443	0.3
181.04959	1.1
183.02873	0.6
185.05960	0.3
208.27481	0.2
213.05510	1.0
231.06412	0.8
237.07291	0.2
238.86925	0.2
241.04955	0.8
244.75040	0.2
255.08644	0.5
258.05240	1.2
259.05942	0.4
271.05988	2.8
273.09592	0.3
286.04611	1.4
287.05460	100.0
288.05777	4.0
299.05484	1.1
300.06015	0.3
301.07031	4.1
307.08194	1.1
325.09158	1.1
329.06500	0.8
397.09003	0.3
415.10226	0.3
433.11273	0.7
449.10989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2186
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03935	0.2
55.01834	0.3
55.05475	0.1
57.03434	0.7
61.02918	0.6
67.01824	0.3
68.99770	0.3
69.03424	1.9
69.62869	0.2
69.63257	0.2
71.01322	0.1
71.04990	2.4
73.02892	0.5
75.04462	0.2
81.03040	0.1
81.03407	0.8
83.04964	0.6
84.08093	0.1
85.02895	9.2
87.04421	0.3
89.03890	0.2
91.03902	0.2
95.04932	0.1
97.02880	1.7
98.69189	0.1
99.04436	0.5
109.02892	0.6
111.04434	0.5
115.03908	0.2
117.03348	0.4
125.02240	0.1
127.03036	0.1
127.03888	1.6
129.05446	0.8
130.92043	0.1
133.04973	0.4
135.04416	1.4
137.02295	0.3
145.01772	0.1
145.02780	0.5
145.04932	1.6
147.06456	0.3
151.03841	0.1
153.01811	3.2
161.02290	0.5
163.03885	4.2
163.05952	0.2
171.02797	0.4
179.03355	0.2
179.05486	0.2
190.39009	0.1
219.06554	0.1
237.07555	0.2
241.04916	0.4
245.04324	0.1
250.61557	0.1
255.08586	0.1
269.04462	0.3
271.05823	0.2
287.05457	100.0
288.05792	3.8
288.08374	0.1
299.05673	0.2
303.04807	0.4
329.06445	0.1
397.08960	0.2
433.11227	0.2
449.10742	21.1
450.11035	1.1
595.16473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85370	0.8
66.00879	0.9
75.74268	0.7
81.77351	0.8
121.06548	1.3
135.04469	1.1
137.06104	1.0
146.03448	2.3
159.04214	3.2
163.03912	4.6
164.85478	0.9
175.03716	0.9
177.05489	1.0
191.07199	1.0
209.08148	1.2
215.06818	1.4
219.06358	1.4
245.07991	3.4
271.06104	2.4
279.06189	1.6
287.05655	2.9
294.08572	12.1
295.09296	1.2
325.10431	100.0
326.10870	5.1
337.10400	1.0
364.12970	3.2
366.13361	1.8
367.11646	1.1
382.13824	6.0
383.14502	1.2
417.15427	1.3
455.16745	68.8
456.17209	3.7
667.14539	0.9
720.97937	1.0
739.27600	1.4
757.28143	88.6
758.28613	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	758.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27320	0.7
64.81764	0.8
69.92049	2.5
72.03669	0.8
73.04733	0.8
76.30083	0.7
91.05764	1.2
100.25746	0.7
120.08049	0.9
132.08131	0.8
167.05504	1.8
184.07376	1.1
187.84486	0.8
209.10652	1.9
221.10680	1.2
223.12320	2.1
224.13174	0.9
225.13803	3.2
235.08676	1.5
235.12288	1.6
237.10078	1.0
237.13885	2.7
238.14536	1.4
239.15442	0.8
248.84163	0.8
249.10185	2.9
250.11174	0.9
251.08096	1.0
265.09723	1.0
268.03909	0.8
269.12811	1.3
275.15286	0.9
277.09644	1.3
299.06055	2.0
338.12762	3.0
340.14420	1.1
352.14215	0.9
359.02652	1.0
368.17560	1.9
412.16385	1.0
416.16037	1.1
417.16644	1.9
426.18213	1.5
429.17010	1.2
430.17636	1.3
431.18552	3.5
443.19037	1.0
445.20129	2.4
446.20956	2.4
447.21661	3.5
454.17438	1.7
459.22449	1.2
460.23132	0.9
472.18414	1.5
473.19232	1.7
474.20187	1.4
475.20523	1.5
487.21445	1.8
501.22879	2.3
503.24261	1.1
506.22354	1.0
515.20605	1.8
519.23743	2.9
534.22827	1.0
547.23248	14.0
548.23999	1.4
575.22424	2.9
607.25403	100.0
608.25787	7.6
666.23737	0.9
676.26483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
67.05495	3.9
69.03442	5.7
71.04975	25.3
71.05331	1.5
73.04781	1.4
79.05477	10.9
81.03426	5.3
81.07060	3.7
85.02924	5.4
85.06570	6.1
91.05426	3.4
93.07087	1.8
94.04198	2.2
95.04988	5.3
95.08607	2.4
95.32386	1.5
97.02882	3.3
99.04467	1.8
103.05498	4.4
105.07049	6.4
107.04939	26.9
109.02872	4.0
109.06522	1.8
113.06030	5.9
115.03991	1.8
115.05462	3.5
116.06254	1.8
117.07021	2.9
119.08657	1.6
121.06470	1.4
122.03679	5.4
123.04452	4.1
124.05231	4.2
125.06033	2.8
127.03907	4.0
127.07521	12.1
128.06233	3.8
129.06987	14.4
131.04933	6.9
131.07059	5.2
131.08624	5.1
133.06506	2.5
133.10155	3.1
137.05952	100.0
141.07011	3.1
142.40730	1.7
143.04936	4.9
144.05762	6.6
145.02974	1.8
145.05019	2.3
145.06480	6.2
145.08580	74.5
147.04434	1.7
149.06021	2.8
151.03989	2.3
151.07567	2.7
155.07091	2.6
156.05746	5.1
157.06476	19.8
159.08035	10.5
160.05188	6.5
161.05956	5.8
161.09644	4.1
163.03850	12.2
163.07549	4.5
163.11250	1.7
164.04210	3.3
165.05447	1.8
167.07014	81.9
168.07336	1.8
172.05188	4.4
173.06000	5.2
173.08202	2.1
174.06813	6.4
175.07495	29.9
175.08846	2.3
179.07118	1.7
181.04999	1.9
183.06566	1.5
184.05150	1.5
185.06020	5.2
186.95728	1.6
187.07516	50.6
189.09090	21.4
190.06293	4.3
191.07112	3.2
191.09163	5.0
193.08588	2.9
199.07581	3.8
201.09232	1.9
202.06245	3.9
203.06953	2.1
203.08681	2.2
205.08559	9.1
207.10155	3.4
215.06996	2.4
217.06409	3.3
217.08545	54.7
218.07265	2.3
219.10097	12.6
221.09578	2.3
231.08102	2.2
231.10063	1.7
232.09056	2.0
233.09718	3.8
234.06697	3.5
235.07498	2.0
235.09573	2.1
239.07034	1.9
241.08635	4.2
247.07439	2.9
247.09714	10.3
249.08986	8.2
252.07997	2.0
261.09003	8.9
263.06992	3.7
266.09589	2.2
271.06055	5.0
272.06421	3.3
275.11023	3.6
277.08624	5.5
278.09448	5.0
279.10104	1.9
281.11786	2.9
285.07571	5.6
287.05429	1.9
288.05475	2.5
289.08591	3.3
291.10266	2.9
293.11630	7.8
299.06131	3.7
300.09778	9.3
301.10709	7.9
306.08792	3.5
307.09647	2.3
309.11093	8.8
313.10736	3.1
317.12152	2.2
321.11121	11.8
323.09021	2.9
326.11334	3.3
327.12311	1.6
338.11362	2.1
339.12164	3.0
341.13797	28.2
343.15402	3.7
351.14325	2.8
353.13763	42.1
355.15228	7.5
359.02890	1.6
359.14966	2.1
371.14828	61.3
372.14920	2.5
389.16122	1.7
415.03073	2.1
467.16910	1.9
758.25342	25.9
758.37714	3.2
780.76215	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
54.49770	1.8
55.01862	7.0
55.05500	27.1
57.03429	15.0
57.07059	2.8
61.02915	5.4
65.03912	3.5
67.05496	95.2
69.03417	5.8
69.07054	26.9
71.01340	1.9
71.04971	6.2
73.02884	1.8
77.03919	2.4
79.05038	3.3
79.05485	64.1
79.05944	3.5
81.03411	6.5
81.07045	75.3
83.04974	12.2
83.08617	16.4
85.02884	7.1
85.06539	5.9
91.05453	47.1
93.07033	73.6
95.04951	17.5
95.08591	50.3
97.02866	9.5
97.06509	13.5
97.10165	6.9
99.04454	3.1
99.08067	2.7
105.04507	3.6
105.07013	38.3
107.04932	12.6
107.08577	43.2
109.02887	3.0
109.06499	7.6
109.10139	34.1
111.04408	12.3
111.08049	8.5
113.09657	2.7
117.07005	22.9
117.08454	1.6
119.08559	33.5
121.06503	6.8
121.10131	29.2
123.08033	3.8
123.11653	9.8
125.05988	2.6
125.09584	4.5
129.06975	10.9
129.52802	2.1
131.08554	28.4
133.06499	2.2
133.10110	31.0
135.08014	5.1
135.11668	34.0
137.09581	3.9
137.13232	2.0
139.07475	1.6
139.11200	2.9
139.92201	1.9
142.07782	2.1
143.08519	11.3
145.06480	4.1
145.10098	28.2
147.08031	5.4
147.11659	16.2
149.09593	9.9
149.13235	8.1
151.11159	7.1
155.08531	8.2
157.10120	6.7
159.11673	16.6
161.09586	6.5
161.13278	8.9
163.11182	18.9
165.12811	1.7
167.05475	2.6
169.08818	2.0
169.10156	5.3
171.11685	9.2
173.09584	7.5
173.11823	2.2
173.13179	9.1
175.11215	4.0
181.12251	3.2
183.11661	5.2
184.07312	4.1
184.29506	1.9
185.13254	6.7
187.11162	4.3
187.14833	5.1
189.12779	3.9
191.10646	5.3
197.13268	5.1
199.11096	2.4
199.14815	5.0
209.11665	25.2
213.16451	2.1
217.15919	2.9
227.12740	7.2
227.16275	3.8
229.14273	7.3
243.20987	3.0
245.13768	2.2
253.14369	3.9
255.15926	4.2
259.20505	4.0
261.22168	10.1
267.15802	3.0
271.20456	2.3
273.22192	8.6
277.21597	2.2
279.23126	2.1
283.15359	73.3
284.15628	2.3
285.16821	2.6
289.21603	4.6
297.22031	2.2
299.06161	3.0
299.20050	2.9
299.23355	2.5
301.16357	8.4
301.21658	3.5
312.44931	1.8
313.21799	2.6
315.23193	7.8
317.21164	4.2
317.24512	3.3
325.21451	2.4
333.23862	2.0
335.25739	49.0
336.25931	3.5
345.23956	2.3
369.05103	2.0
373.23804	4.7
389.26700	2.9
391.24866	4.2
405.31561	2.4
423.32639	4.0
433.30872	7.8
451.32108	16.7
469.32925	15.0
487.33951	5.8
515.37109	4.4
525.35687	26.3
543.36755	100.0
544.36981	6.2
561.37604	33.2
562.37659	4.3
586.44464	2.5
674.52759	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01863	9.4
55.05500	31.6
55.05747	2.6
57.03427	20.5
57.07067	4.0
59.04993	2.3
61.02901	8.2
64.81457	1.5
65.03941	4.5
67.05492	100.0
68.05875	1.7
69.03445	5.3
69.07056	27.8
69.54475	6.3
69.54824	1.8
71.01335	1.8
71.04997	4.9
73.02901	2.7
73.04777	2.1
74.77323	1.6
77.03932	2.3
79.05479	76.0
80.05814	2.5
81.03404	14.7
81.03748	1.5
81.07043	85.7
82.07393	2.6
83.01342	2.3
83.04966	19.8
83.05350	2.0
83.08611	15.1
85.02888	10.3
85.06563	5.8
91.03954	2.6
91.05441	41.9
93.07029	75.6
95.04961	22.1
95.05521	2.0
95.08594	55.6
97.02890	12.1
97.06512	10.0
97.10181	5.6
99.04475	2.9
103.05431	2.0
105.04536	4.6
105.07011	31.3
107.04937	13.8
107.08575	41.0
107.09248	3.0
109.06494	8.7
109.10142	30.5
111.04419	18.1
111.08086	6.5
113.05981	2.4
113.09579	1.7
117.07020	21.4
119.08562	26.6
121.06486	5.8
121.10125	36.0
123.08099	5.4
123.11668	8.9
125.09646	4.5
127.03950	1.9
129.07016	5.7
130.07852	2.0
131.08543	21.0
133.06577	2.0
133.10118	23.4
135.08069	5.0
135.11662	29.0
137.09650	6.9
139.07549	2.0
141.06992	2.2
143.08569	6.0
145.10106	33.6
147.08057	5.7
147.11697	9.6
149.09659	6.9
149.13290	6.4
151.11165	4.8
153.12715	8.5
155.08549	5.3
157.10156	4.5
159.08177	2.2
159.11673	8.5
161.09618	3.1
161.13274	4.4
163.11143	26.5
163.14790	2.8
165.12810	2.0
169.10164	2.7
171.08047	2.4
171.11713	5.7
173.09595	9.9
173.11844	2.2
173.13272	6.6
175.14835	4.1
181.10133	2.4
181.12250	7.5
183.11790	2.0
184.07411	3.0
185.11848	2.1
185.13322	2.7
187.14784	2.8
191.10611	10.7
209.11685	30.1
209.13452	2.5
215.18076	2.5
225.04422	2.5
227.12703	18.1
229.14331	3.9
238.32826	1.8
243.21176	5.1
245.13864	2.9
253.14307	3.7
259.20703	4.7
261.22180	15.3
271.20419	2.0
273.22208	4.8
279.23135	1.9
283.15353	64.7
284.15662	2.2
285.16858	1.9
289.21585	1.7
291.44604	1.9
297.22174	2.1
299.06137	3.0
299.20349	2.2
299.23636	3.4
301.16391	42.7
315.23209	5.7
317.24719	4.5
333.24356	2.3
335.25732	95.1
336.25974	8.1
339.23285	2.4
359.02707	2.2
389.27216	2.2
423.32587	3.1
433.30927	5.1
451.31900	11.4
469.33060	9.8
470.33817	2.3
481.04462	2.0
487.34375	4.3
489.46277	1.8
507.33835	3.5
515.37677	2.3
525.35730	15.7
543.36761	96.3
544.37073	6.9
558.08600	1.8
561.37701	45.8
562.38153	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	758.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01861	6.8
55.05251	2.5
55.05499	23.6
57.03427	17.0
57.07069	3.4
59.04996	1.8
61.02908	5.1
65.03929	2.6
67.05492	73.0
68.05796	1.4
69.03423	3.4
69.07051	22.3
69.86995	3.1
69.87319	2.7
69.99277	1.3
71.01334	2.4
71.04975	6.3
71.30182	1.2
79.05478	63.6
81.03405	17.5
81.07041	63.5
81.07409	0.9
83.01330	1.5
83.04970	16.2
83.08604	13.2
85.02863	7.4
85.06523	3.5
86.09706	1.3
90.33171	1.5
91.03906	2.2
91.05448	33.5
92.05755	1.4
93.07026	65.7
95.04951	14.7
95.08581	45.5
97.02895	8.9
97.06510	9.4
97.10152	4.2
98.20188	1.4
99.04408	3.2
99.08074	1.8
105.04481	2.9
105.07004	25.5
107.04935	11.7
107.08570	34.1
109.06508	7.5
109.10129	21.9
111.04427	10.6
111.08079	4.8
117.06987	13.2
119.08553	22.2
121.06457	3.2
121.10120	38.8
123.08042	5.2
123.11669	6.3
125.05973	2.1
125.09608	3.7
129.06956	4.3
131.04903	1.5
131.08527	17.1
133.10107	13.5
135.08015	4.1
135.11673	30.0
137.09583	4.3
139.11182	7.0
145.10098	22.1
146.31505	1.4
147.08022	2.6
147.11612	7.9
149.09538	2.6
149.13223	6.3
153.12724	11.8
155.08549	2.7
157.10080	2.1
159.11685	6.7
161.09715	2.0
161.13184	3.4
163.11145	30.8
163.14784	2.9
169.10097	1.8
171.11670	2.1
173.09561	5.8
173.11807	1.7
173.13191	6.1
175.14835	2.9
181.12242	9.6
184.07304	5.1
185.11720	1.9
187.14775	2.1
189.11188	2.2
191.10652	9.9
195.71458	1.9
209.11678	27.9
227.12738	17.5
229.14334	5.4
243.21053	5.6
245.13803	9.8
259.20370	2.2
261.22043	16.9
265.14313	4.3
283.03079	1.6
283.15329	33.5
299.06174	3.0
299.23395	3.0
301.16394	70.0
302.16718	3.5
303.23032	1.5
307.22491	4.5
315.23068	1.8
317.24591	3.0
335.25735	100.0
336.26044	5.2
433.31000	1.9
446.38934	1.6
451.31839	3.7
461.32541	2.0
469.32944	3.2
515.37854	1.7
525.35748	8.4
543.36725	48.1
544.36639	4.1
561.37738	78.6
562.38043	8.8
615.06299	1.5
669.62958	2.0
728.32477	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01868	1.4
55.05252	1.3
55.05502	16.6
55.06096	0.6
57.03426	6.7
57.07056	2.7
59.04990	1.2
61.02928	3.9
65.03928	3.5
67.05492	72.4
68.05808	0.7
69.03422	2.6
69.07056	12.0
69.36929	3.6
71.04980	21.3
73.02881	1.0
77.03935	1.1
79.05477	39.8
81.03391	1.1
81.07041	96.4
83.04944	4.1
83.08596	7.7
85.02894	2.7
85.06521	8.8
91.03944	1.2
91.05457	28.8
93.07029	39.7
94.07353	1.1
95.04951	5.2
95.08587	28.5
97.02892	1.7
97.06499	4.6
97.10156	2.9
99.08086	2.2
105.04520	1.5
105.07014	17.7
105.07722	1.0
107.08572	20.2
109.06501	1.5
109.10130	12.6
111.08083	1.5
117.07018	5.8
119.08551	7.4
121.10120	11.9
123.08091	1.0
123.11680	13.2
123.12501	0.9
125.09657	0.8
131.08536	7.4
133.10107	16.6
135.08061	1.1
135.11665	9.4
135.77271	0.7
143.08603	0.9
145.10065	3.3
147.11655	3.4
149.13219	6.7
151.11160	6.5
157.10155	1.0
159.11659	6.7
161.13301	2.5
163.14754	0.8
169.12238	1.4
173.13252	3.1
175.14838	1.2
177.12759	2.3
183.13806	2.3
184.07310	1.9
187.13292	4.3
187.14758	1.2
195.13829	1.3
227.16382	1.6
243.15892	1.1
243.21178	1.2
253.17947	0.8
257.17456	2.2
261.22113	1.9
269.17416	7.2
301.20023	20.1
317.24548	1.3
335.25735	33.9
336.26190	1.3
352.46249	0.8
399.56171	0.8
411.32620	1.2
437.34241	0.9
485.36328	2.4
503.37216	100.0
504.37778	6.6
511.37946	1.2
517.38580	4.8
529.38776	15.0
530.39227	0.9
547.40051	0.8
561.41406	98.6
562.41541	7.9
662.02838	0.8
673.40332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
57.03403	0.6
61.02928	0.8
69.03409	1.8
70.69453	0.8
73.02897	0.7
74.33627	0.5
75.73221	0.6
78.04678	0.7
79.05476	4.0
81.03397	9.3
85.02897	6.3
91.03938	0.6
91.05444	1.7
95.04954	1.8
97.02869	2.2
102.04625	0.7
105.06986	1.1
107.04926	9.0
109.02863	0.7
115.05424	7.0
117.06999	14.7
118.07333	0.6
123.04381	2.0
124.05177	2.1
125.05995	0.6
127.03865	1.3
128.06233	1.1
129.06972	2.0
131.04871	1.3
131.08571	3.3
133.06461	1.3
137.05945	0.7
141.06967	1.9
143.04790	0.9
144.05617	2.7
145.04984	1.2
145.06456	37.7
146.06781	0.8
147.08015	0.8
149.05928	0.8
155.05984	6.0
155.07059	1.0
156.05649	7.2
157.06448	2.2
159.08022	5.6
160.05119	1.0
161.05998	3.2
162.07617	1.8
163.03825	0.7
167.07010	38.4
168.07318	0.7
172.05098	1.3
173.05943	63.3
174.06337	2.1
175.03915	0.8
175.07512	1.9
180.08603	3.1
181.04962	0.7
183.06433	1.0
184.05190	1.7
187.07520	6.1
189.05428	0.8
190.06216	34.6
191.06880	2.1
193.08545	1.5
202.06230	4.5
203.07007	6.4
205.08559	100.0
206.08894	2.8
207.06488	1.9
209.08028	0.7
215.06900	1.2
217.08553	43.5
218.08954	1.6
219.07922	1.7
219.10138	3.7
220.08762	0.6
223.09648	2.9
231.08078	1.0
233.09631	0.9
235.09595	30.6
247.07509	1.1
247.09633	6.5
248.08267	1.6
254.05510	0.7
261.08929	0.7
263.10669	1.2
264.07822	1.2
265.10669	50.7
266.10989	1.1
269.07974	1.7
271.09540	2.1
275.07031	0.8
276.07736	1.4
277.08398	0.7
279.10159	1.0
291.10059	1.3
293.07980	1.1
293.11127	0.7
299.09149	0.8
300.06219	0.8
307.09402	1.2
308.10284	0.8
315.08490	4.1
319.09601	1.1
323.12662	1.6
330.10925	6.5
331.11636	2.4
337.10324	0.8
339.12164	1.4
351.12134	3.9
352.12967	0.7
356.12817	0.9
359.92932	0.6
368.12421	1.1
369.13214	1.2
371.14789	3.4
383.14847	12.9
384.15045	0.6
401.15887	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	760.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01861	1.8
55.05507	0.9
57.03402	0.8
60.88561	0.6
65.03912	1.0
66.73753	0.6
67.05503	3.2
69.03414	2.0
69.10658	4.0
70.06578	3.4
71.04980	16.1
74.73412	0.6
78.04729	0.8
79.05472	5.8
81.03393	2.0
81.07051	1.2
83.04922	0.6
85.02882	6.6
85.06522	5.2
89.26675	0.6
91.05428	6.5
93.07008	1.6
95.04963	6.8
95.08599	0.9
97.02865	2.7
99.04459	0.9
103.03922	2.8
103.05448	10.2
105.07011	24.2
107.04952	4.8
108.05719	1.5
109.02885	2.2
109.06504	2.1
109.10132	1.1
113.05980	5.7
115.05431	2.8
117.07004	1.1
118.04135	8.5
119.04913	4.5
120.05650	1.1
121.06475	2.5
122.07285	1.6
123.04402	1.2
123.08071	3.6
124.05194	1.5
127.03870	2.7
127.07533	13.7
131.04901	23.5
131.06989	3.2
132.05701	0.8
133.02843	2.8
133.06470	23.8
134.07326	0.8
135.04393	2.9
135.08051	5.5
137.05957	12.0
137.09567	1.5
141.05415	5.3
141.06967	1.2
145.04912	1.7
145.08566	44.1
146.03539	0.9
147.04405	3.2
148.05191	1.6
149.05977	3.9
150.06735	14.6
151.03857	1.6
151.07521	6.8
155.05835	0.9
155.07013	10.4
161.05957	6.1
163.03874	1.3
163.07510	27.0
165.05388	0.8
165.09082	17.7
167.05708	0.6
167.07004	17.1
169.13277	1.3
173.08061	14.3
175.07480	2.0
177.05457	2.4
178.06175	1.7
179.06987	6.8
181.08600	2.5
187.07475	0.9
191.06999	4.9
191.09113	2.3
193.08571	67.6
194.08957	1.6
195.10133	3.2
197.05946	1.7
197.12767	1.1
201.09134	1.5
203.07019	3.1
205.08487	1.4
211.09613	100.0
212.09991	2.4
213.11145	4.8
215.07066	3.6
217.08583	1.0
225.05438	0.9
229.08586	3.8
231.06528	1.0
233.08095	7.9
233.10184	1.4
237.11223	0.8
241.08650	1.2
245.08125	0.8
247.09685	0.9
249.42010	0.7
257.08011	5.8
257.10223	1.9
271.05960	1.0
275.08926	3.7
275.11533	8.0
285.09607	1.7
293.10156	4.8
308.09924	0.8
317.12616	1.3
341.13733	1.1
344.12552	0.7
385.16821	0.9
447.16391	1.1
465.17365	2.7
483.18576	1.4
573.66754	0.7
760.27448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.05505	19.8
57.03423	15.6
61.85461	5.2
67.05501	60.0
69.07063	12.7
77.43769	5.0
79.05486	41.3
81.03410	100.0
81.07049	66.6
83.04965	8.0
83.08620	19.2
85.02882	7.8
91.05407	28.5
93.07048	36.0
95.04963	32.2
95.08591	39.7
97.06522	10.2
97.10173	6.8
98.69182	5.0
105.07010	30.2
105.97622	5.5
107.04922	7.9
107.08575	26.2
109.10161	21.6
119.08564	27.4
121.10137	24.4
126.02774	5.3
129.06966	6.3
131.08565	15.0
133.10126	11.7
134.84889	4.7
135.11641	11.9
145.10153	8.9
147.11656	15.7
149.09612	6.7
149.13286	6.7
157.10237	10.3
159.11717	6.9
161.13332	7.9
167.05521	8.6
173.13272	7.4
175.11086	9.2
184.07306	11.4
193.12271	29.8
200.71992	5.7
216.23398	5.4
227.12567	6.2
240.91023	4.8
243.21065	5.3
261.22159	14.5
267.15842	80.1
279.64658	5.2
299.06100	7.2
335.25745	81.4
390.20364	6.5
435.32660	9.3
527.37311	61.4
545.38440	37.4
760.42432	20.0
761.41479	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59231	5.5
57.07078	25.1
60.86204	5.3
71.08626	26.9
71.44583	5.5
73.06535	8.9
81.65110	5.4
82.68880	4.4
85.10178	14.0
87.04427	7.3
89.06023	100.0
94.14986	4.8
117.09099	9.3
133.08575	44.2
177.11148	27.0
198.25052	5.7
280.96817	4.6
340.37112	5.2
364.79456	4.7
512.92664	5.6
542.13562	5.5
612.22382	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	761.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18304	2.2
78.15157	0.3
119.01931	0.7
143.03166	1.3
161.02965	0.4
172.03947	1.5
206.03008	1.7
208.04649	0.5
212.03125	0.6
215.82155	0.4
218.06639	0.7
220.04582	1.0
228.06369	1.0
230.04248	2.2
232.04565	0.8
234.02437	0.8
242.02966	0.9
244.04533	0.7
245.04871	0.5
246.06134	0.8
248.04056	4.5
249.04327	0.5
250.05624	0.6
256.04510	0.6
258.02530	0.4
260.04007	0.9
272.03918	1.7
288.06985	0.5
290.05225	4.2
308.04434	0.6
314.05121	0.5
330.09470	3.1
332.06671	1.2
350.07275	3.3
382.09402	0.4
392.09448	100.0
393.09766	4.3
410.09137	3.3
452.10242	1.0
470.29816	0.4
549.58179	0.5
641.14716	1.9
683.15247	1.2
701.15900	1.3
761.19043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29142	3.2
70.29456	4.6
82.69604	2.4
93.46382	2.3
103.05451	4.8
131.05003	3.6
137.05954	11.9
147.04417	3.8
151.03914	6.2
159.02338	2.3
163.07599	3.4
167.07062	10.7
173.05919	4.0
181.04991	4.7
191.07001	11.8
194.07278	3.6
205.08568	2.7
265.08591	2.4
270.53354	2.5
329.10001	4.5
332.16925	3.1
373.39520	3.0
565.20715	3.2
589.16339	2.8
761.23773	100.0
762.25006	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	761.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32606	0.5
61.02922	0.6
67.05495	1.1
77.81010	0.5
79.05479	0.7
81.07056	1.2
81.88620	0.5
83.05008	0.7
85.02914	0.6
93.07050	1.5
97.02887	0.8
97.36112	0.6
98.23421	1.8
110.72598	0.6
265.10806	0.7
346.72235	0.7
369.22601	0.7
535.26501	1.3
656.08539	0.7
761.38641	100.0
762.39050	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60994	0.7
59.92533	0.9
61.02916	0.9
67.05492	1.7
69.10631	5.9
69.73860	0.8
79.05473	1.3
81.07040	0.9
93.07044	1.3
95.08590	1.2
95.44226	0.8
105.07044	1.1
107.08600	1.5
109.10167	0.9
127.36463	0.8
145.09933	0.8
172.90633	0.7
260.79028	0.9
461.66470	1.0
478.89670	0.8
578.75562	0.8
761.38574	100.0
762.38837	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	761.392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
61.02929	3.9
67.05488	3.0
69.03411	2.7
69.15639	8.3
70.68588	1.1
71.04990	1.7
72.19057	1.2
73.02898	2.9
79.05470	2.5
81.03412	5.3
81.07058	4.0
83.04960	1.3
85.02909	3.8
91.03972	3.1
91.05483	4.3
93.07050	3.3
95.04974	1.7
95.08624	2.7
97.02908	4.7
97.06550	1.4
105.07053	2.3
107.08635	1.7
111.08112	1.6
119.08572	1.9
121.10169	2.8
129.07021	1.5
130.93315	2.0
131.08571	1.9
133.35980	1.2
147.11708	1.7
149.09610	2.9
157.10146	2.8
170.93547	1.2
175.11252	2.0
193.12288	2.8
243.08492	2.5
283.15088	8.5
339.17789	2.2
489.18253	6.5
501.22955	27.0
502.23260	2.4
507.19348	6.0
533.17657	6.5
551.18274	7.5
761.39313	100.0
762.39795	7.8
785.24744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01883	0.7
55.05511	2.2
55.12775	0.7
57.03433	2.5
61.02916	7.0
67.05496	7.0
69.03416	3.6
69.07065	2.6
69.33983	2.1
69.34383	1.5
71.01341	0.9
73.02915	4.9
79.05492	5.4
81.03417	2.7
81.07043	6.7
83.08610	1.2
83.82638	0.6
83.87688	0.7
85.02889	5.4
91.03961	2.5
91.05446	4.1
93.07026	6.0
95.04955	1.8
95.08583	5.0
97.02892	6.5
99.04475	1.0
101.02380	2.2
105.07023	2.4
107.08588	3.3
109.10161	2.4
117.07021	0.7
119.08580	2.2
121.10159	2.2
127.03922	1.6
131.08591	1.0
133.10130	1.8
135.11639	0.7
145.10088	1.0
149.13338	0.8
161.09619	0.9
184.07288	0.8
185.04256	0.8
243.08354	0.9
250.52534	0.7
265.10526	1.4
267.15826	0.7
319.39273	0.7
335.25867	1.3
336.26089	0.8
337.27081	0.9
337.76630	0.7
483.18085	3.4
497.30505	0.8
509.88321	0.8
519.29120	8.8
528.37225	0.8
761.40631	100.0
762.40796	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	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
54.17873	0.4
54.69432	0.4
55.01854	1.3
55.05497	1.5
57.03430	2.5
61.02917	6.4
67.05503	4.5
69.03416	3.6
69.07059	2.0
69.70244	1.8
71.01338	0.6
71.04964	0.8
73.02908	4.3
79.05482	3.4
81.03386	3.1
81.07050	5.5
83.04954	0.7
83.08630	1.1
83.19234	0.5
83.45274	0.4
85.02901	5.5
87.04478	0.7
91.03941	2.7
91.05453	3.4
93.07026	4.6
95.04973	1.6
95.08591	3.0
97.02885	5.3
97.64797	0.5
98.22698	0.6
99.04457	1.0
101.02386	1.6
105.07028	2.8
107.04972	0.6
107.08551	2.2
109.02864	1.4
109.10143	1.6
111.04426	0.6
117.07026	0.7
119.08574	1.9
121.02572	0.6
121.10142	2.0
123.11711	1.1
127.03898	1.5
131.08539	1.3
133.10081	2.3
135.11714	1.1
145.10127	0.8
151.11168	0.7
161.09628	2.2
185.04173	0.9
189.09102	0.9
243.08405	1.1
265.10443	0.8
267.15976	0.9
300.06311	0.5
335.25909	1.2
336.26236	1.3
337.27502	0.9
388.78098	0.5
422.72351	0.5
483.18253	8.8
519.29028	5.3
529.38867	0.9
546.38440	0.5
717.41229	0.8
761.40631	100.0
762.41003	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	762.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
57.07065	39.2
59.04964	2.2
60.63273	2.0
66.70094	1.7
69.07043	3.5
69.18938	12.1
69.70002	1.7
71.08623	22.1
73.06540	9.7
81.07034	1.9
83.08587	2.5
85.10175	18.9
87.04456	12.5
87.92072	2.3
89.06019	100.0
95.48557	2.0
97.10151	3.1
98.23414	4.3
99.11689	4.0
117.09132	9.9
131.07050	3.4
133.08582	49.1
155.17891	4.9
171.14758	2.1
177.11232	16.4
199.20573	3.1
221.13815	2.9
234.91447	1.9
243.23203	6.3
287.25711	4.4
294.06680	1.9
304.95190	1.9
422.85434	2.2
762.38934	2.3
762.54712	2.7
763.42145	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.9
69.03428	1.7
73.02904	1.2
79.05510	1.1
81.03364	1.0
81.07040	2.1
91.05461	1.1
95.08610	1.7
97.02923	1.1
136.30649	1.1
172.03235	1.0
240.48605	1.0
349.92477	1.0
373.25726	1.1
485.19254	1.3
519.29309	2.3
543.35126	2.2
652.75330	1.2
705.40448	10.0
706.40802	1.5
717.41943	1.2
760.38770	1.2
763.40137	100.0
764.40240	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.9
69.03428	1.7
73.02904	1.2
79.05510	1.1
81.03364	1.0
81.07040	2.1
91.05461	1.1
95.08610	1.7
97.02923	1.1
136.30649	1.1
172.03235	1.0
240.48605	1.0
349.92477	1.0
373.25726	1.1
485.19254	1.3
519.29309	2.3
543.35126	2.2
652.75330	1.2
705.40448	10.0
706.40802	1.5
717.41943	1.2
760.38770	1.2
763.40137	100.0
764.40240	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78795	0.9
55.05512	1.9
57.03432	2.4
59.13775	1.0
61.02920	5.9
67.05505	6.1
69.03424	2.9
71.42748	1.4
73.02911	3.8
75.25162	1.1
79.05484	3.1
81.03414	2.5
81.07056	5.3
83.08589	1.1
85.02872	5.1
91.03949	4.2
91.05492	4.2
93.07056	4.4
95.08634	3.7
97.02879	5.9
99.29017	1.2
101.02375	1.9
105.07037	1.7
107.08609	3.1
109.02898	1.1
109.10187	1.3
121.10156	1.1
127.03898	1.7
129.80219	0.9
131.08537	1.5
133.10164	1.0
145.10158	1.6
163.11197	1.4
208.29503	1.0
214.57976	1.0
243.08388	1.8
267.12021	1.4
441.17029	1.2
485.19922	3.6
519.28949	6.7
719.41901	2.6
745.40790	6.7
763.42145	100.0
764.42365	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	763.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01854	0.9
55.05503	1.6
57.03430	1.9
61.02917	6.5
67.05488	5.9
67.05820	0.5
69.03416	3.6
69.07064	1.3
69.47356	1.0
71.04992	0.7
73.02902	4.3
79.05474	4.3
80.47963	0.3
81.03396	2.3
81.07042	5.6
83.04971	0.4
83.08607	0.8
85.02890	5.7
87.04465	0.6
91.03938	3.4
91.05437	2.4
92.10781	0.3
93.07031	4.4
95.04951	0.8
95.08585	3.7
97.02880	5.7
97.06474	0.3
99.04464	1.1
101.02356	2.4
105.07020	1.4
107.04933	0.4
107.08565	2.6
109.02861	0.7
109.10139	1.5
115.03987	0.6
117.07011	0.6
119.08547	1.6
121.10128	3.1
123.11707	0.4
127.03925	1.5
131.08588	1.1
133.10127	0.7
135.11658	1.6
145.10138	1.1
147.11679	0.4
149.13268	0.4
159.11659	0.6
163.11172	1.2
185.04216	1.1
203.05286	0.4
227.36569	0.4
243.08368	1.7
267.11932	3.0
267.16013	0.5
272.78613	0.3
323.14578	0.4
335.25864	0.6
347.84518	0.4
441.17154	2.3
485.19806	3.3
519.29132	8.0
520.29535	0.7
585.19043	0.4
601.37079	0.4
719.39777	2.1
745.41138	2.0
763.42139	100.0
764.42438	8.8
788.88361	0.4
792.67163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05500	1.5
57.03442	3.0
61.02915	6.2
67.05508	4.6
69.03426	2.4
69.07072	2.1
71.43514	1.1
73.02900	5.3
79.05490	4.3
81.03410	2.7
81.07057	5.0
83.08695	1.1
83.12909	1.1
85.02906	7.0
86.67426	1.2
91.03960	4.4
91.05468	2.5
93.07052	5.1
95.08617	4.6
97.02878	6.3
99.04490	1.6
101.02373	2.2
107.08602	2.8
109.10136	1.8
111.04465	1.5
119.08598	1.6
121.10111	3.0
127.03951	1.8
135.11792	1.8
135.22365	1.1
167.96339	1.1
185.04218	1.3
209.11734	1.2
232.83733	1.2
243.08430	1.9
413.17911	1.4
452.55276	1.5
467.19049	1.6
485.20163	3.3
519.29132	6.0
703.61462	1.4
719.43396	2.2
745.41479	4.8
763.42096	100.0
764.42456	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	763.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
55.55125	0.3
57.03430	1.4
59.70985	0.4
59.96043	0.4
61.02917	4.3
64.00695	0.4
64.71181	0.3
66.93921	0.4
67.05498	4.3
69.03420	2.6
69.07076	0.6
69.39128	2.0
71.01364	0.5
71.04979	2.8
73.02909	2.6
79.05494	2.6
80.23760	0.4
81.03418	1.1
81.07048	4.6
83.04976	0.8
83.08588	0.5
85.02892	4.3
85.06544	0.6
87.04499	0.4
91.03944	2.4
91.05469	2.3
93.07029	2.5
93.60646	0.5
95.08607	1.8
97.02872	3.5
99.04436	0.8
101.02396	1.5
103.03963	0.6
105.07059	1.1
107.08607	1.7
109.02890	0.9
109.10136	0.8
117.06954	0.4
119.08547	0.5
121.10141	1.1
123.11681	0.7
127.03915	1.0
131.08536	0.6
133.10129	1.4
135.11737	0.5
147.11652	0.5
149.13310	0.6
151.11142	0.8
159.11678	0.9
183.13863	0.5
185.04198	0.5
185.85988	0.4
203.05214	0.5
233.99393	0.4
243.08421	1.8
267.15677	1.3
335.25894	1.0
485.23474	6.5
519.29224	5.9
543.00891	0.4
763.45880	100.0
764.46234	8.9
764.59247	0.7
772.27325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
57.03159	0.2
57.03427	1.1
63.02358	0.3
66.86917	0.2
69.03420	5.7
71.04985	5.7
71.44702	0.2
79.05460	0.3
81.03425	0.3
83.04966	0.8
85.02399	0.4
85.02894	6.8
86.09676	0.3
89.03896	1.8
97.02842	0.6
99.04460	0.2
107.04932	0.7
109.02824	0.3
111.04401	0.3
115.03830	0.3
117.03360	3.1
127.03887	3.0
129.05460	1.8
135.04387	6.9
141.34416	0.2
145.02821	7.9
147.06526	0.6
153.78603	0.2
163.03877	100.0
164.04210	1.7
167.06998	0.3
177.05449	0.2
181.04926	3.1
281.36603	0.2
291.08347	0.3
307.08087	3.3
308.08441	0.3
309.09692	0.8
325.09131	34.0
326.09546	0.8
369.43741	0.2
435.12537	0.4
439.11508	0.2
471.14746	1.2
487.14697	0.3
566.29352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.3
63.00981	0.6
65.03930	17.5
66.14852	0.5
67.05489	3.2
69.03418	1.2
69.79816	0.6
69.99091	1.3
70.06583	1.1
74.49804	0.6
77.03910	0.6
78.79488	0.5
79.05473	1.7
81.03392	0.8
81.07053	0.6
82.04188	3.5
85.02892	3.3
91.05467	5.1
93.03390	10.6
93.07050	1.0
94.04146	0.6
95.01315	2.7
95.04950	3.2
97.02864	0.8
97.06517	1.6
102.05558	0.7
103.05425	1.6
105.04454	1.0
105.07012	2.6
106.04144	0.6
107.04917	3.6
108.02087	1.3
109.06475	0.6
110.03641	19.4
111.04420	25.0
115.05401	1.7
117.07008	0.8
119.04927	4.4
119.08553	0.6
121.02846	17.9
121.03808	1.0
121.06473	1.7
123.04415	1.2
124.05137	0.6
125.05971	23.0
127.03864	0.9
127.38891	0.5
128.06178	0.7
129.06975	1.1
131.04054	0.5
131.04901	3.2
132.05698	0.8
132.97054	0.5
133.02826	4.9
133.06506	1.3
135.04407	0.9
135.08052	0.7
137.05977	5.6
138.03084	1.7
144.05605	0.8
145.06526	3.2
146.07249	1.2
147.04398	4.3
147.07994	1.4
149.02330	0.9
149.05937	2.1
151.03815	1.0
151.07526	3.5
153.05441	100.0
154.05743	1.3
157.06360	0.6
158.07350	0.6
159.08064	4.6
161.05959	4.4
162.06737	0.8
163.03917	1.7
163.07516	1.4
165.05472	1.4
165.06985	1.9
167.07033	10.7
167.08411	1.0
168.07278	0.6
169.06483	0.7
171.04430	0.8
173.05927	0.8
174.06758	1.9
175.07492	5.1
176.04558	0.7
176.08331	1.0
177.05399	1.6
178.07745	1.3
179.07037	2.2
179.08571	1.7
181.04922	1.5
181.06451	1.1
182.07193	0.9
184.05164	0.6
185.05972	1.0
186.06734	1.5
186.87236	0.5
187.07527	3.7
189.05463	1.0
189.07014	1.1
189.09154	0.6
190.07813	1.3
191.06944	2.4
191.08557	2.6
193.06480	1.2
193.08504	0.8
193.10121	0.7
194.07251	1.6
195.08012	3.2
196.08714	0.7
197.09570	1.5
198.06744	1.1
199.07501	2.1
203.06833	0.7
203.08516	1.5
204.07838	1.7
205.06525	1.0
205.08574	1.0
206.07289	1.8
207.08020	2.7
208.08737	1.9
209.07973	1.3
209.09674	0.9
210.06720	1.5
211.07486	2.4
215.06950	0.8
216.07782	6.1
217.08588	1.4
218.07225	2.2
219.08029	5.5
220.08798	2.8
221.05927	2.2
221.09525	2.3
222.06711	0.9
223.07401	3.9
223.11107	0.8
224.08272	2.0
225.09087	4.1
226.06201	3.6
226.09830	1.2
229.08577	3.5
231.08115	1.0
233.05891	1.1
233.07861	0.8
234.06731	1.3
235.07483	3.9
236.08249	5.0
237.05496	0.7
237.09009	3.7
238.06229	1.8
238.09926	0.8
239.06955	4.9
239.10696	1.9
240.07782	0.7
247.07478	2.3
247.09657	13.4
248.08301	2.0
249.05325	0.8
249.09082	2.1
250.06187	0.6
250.09822	1.2
251.07129	2.8
251.10638	7.0
252.07878	0.7
252.11070	0.7
253.08543	12.9
254.09282	4.3
255.06544	0.7
255.10039	1.8
261.05505	0.8
261.08926	0.9
262.06046	0.7
263.06924	2.2
264.07718	4.0
265.08450	4.0
266.09277	2.4
267.10052	3.7
268.07156	0.6
269.11636	6.3
275.06940	1.7
276.07776	2.0
277.08588	2.3
278.09369	1.7
279.06909	0.9
279.10117	5.6
280.07364	0.8
280.10669	1.2
281.08008	1.7
281.11502	1.1
282.08780	3.9
283.09531	2.6
287.12875	0.6
289.08551	0.9
290.09570	0.8
291.10132	1.3
292.07205	1.2
293.07990	2.1
294.08801	2.0
295.09494	3.1
296.10416	0.8
297.11176	9.4
299.12683	0.6
306.08658	0.7
307.09592	17.3
308.10275	2.3
309.11145	3.1
310.08365	1.2
311.09238	1.3
311.12665	1.2
319.09543	2.3
321.11166	0.9
323.08932	0.6
323.12729	1.1
324.09943	1.1
324.13474	1.1
325.10645	51.3
325.13913	1.8
326.11133	4.5
327.12067	1.6
329.13812	2.2
337.10553	2.4
339.12210	38.2
340.12906	4.7
341.13852	4.7
351.12143	6.7
353.13879	1.3
355.11716	1.8
357.13248	65.8
358.13605	2.7
369.13257	8.8
370.13724	2.7
371.14371	0.7
387.14276	4.6
489.18875	2.5
499.17719	1.1
704.21198	0.6
757.59564	0.7
763.51917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75409	1.5
61.12608	1.6
64.97310	1.6
69.03428	2.1
70.71384	2.0
79.05519	2.3
81.03406	2.2
81.07066	1.7
81.86943	1.4
85.02894	4.6
91.05470	4.4
93.07004	3.5
95.04950	3.2
103.05450	2.3
105.07012	3.0
107.04916	3.6
110.03686	1.6
115.05530	1.7
119.04902	4.4
121.02843	2.9
121.10074	3.2
121.96259	1.5
123.04443	2.1
127.03934	1.7
131.04939	5.0
133.02829	3.5
133.06503	3.0
137.05978	10.8
145.02748	2.1
147.04375	4.4
147.07990	1.9
148.05176	1.8
149.09557	2.4
151.03871	4.8
151.07509	3.9
153.05455	3.8
161.05916	3.6
163.07530	3.1
167.07016	23.5
175.07545	16.7
177.05522	2.6
178.07646	2.0
179.03416	1.8
179.06998	3.6
181.04947	4.3
187.07503	3.9
191.06979	8.9
191.08528	2.3
193.08563	5.4
194.07211	1.7
199.07535	2.3
202.07645	1.9
203.08392	1.9
205.06548	1.5
207.08083	2.1
217.06602	1.5
217.08745	1.7
219.08017	2.8
223.07495	1.6
231.07948	3.5
232.08804	2.2
235.07503	3.8
236.08170	2.4
237.08925	2.7
241.37201	1.5
246.06776	2.1
247.07506	2.9
248.08234	3.8
249.08954	2.7
251.07120	1.9
253.08578	2.1
261.09149	3.3
263.10706	2.6
264.07803	3.1
265.08578	13.9
276.07861	3.4
278.09326	2.8
279.06512	1.7
279.10001	4.4
283.09601	1.8
291.10010	9.3
293.08008	3.9
294.08847	2.7
297.11249	3.0
298.92215	1.6
307.09528	6.4
308.10400	2.2
309.11179	10.6
311.12799	6.3
319.09628	10.3
321.11072	3.7
323.12573	1.9
325.10434	4.9
329.13644	4.0
337.06857	3.3
337.10641	46.4
337.14185	1.9
338.11337	6.0
339.12271	13.4
340.12735	2.5
341.13852	5.2
351.12250	17.3
351.87988	1.7
353.13858	4.8
355.15195	2.2
357.13272	10.1
369.13269	100.0
370.13614	5.2
387.14328	10.3
405.22571	3.2
445.63068	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.0
57.03441	2.4
64.20576	1.2
65.03928	3.3
67.05499	2.6
68.53829	1.3
69.03423	3.6
71.79527	1.4
79.05480	4.1
81.03392	3.4
82.48928	1.5
85.02896	6.4
91.05475	6.9
93.07025	2.4
94.04173	1.9
95.04963	4.4
95.08605	1.4
97.02878	2.3
103.05459	18.2
105.07002	5.5
107.04952	6.1
110.03667	2.1
111.04438	3.2
111.37975	1.4
115.03920	1.5
115.05447	6.3
117.07011	4.2
118.04149	4.4
119.04897	5.2
121.02781	1.2
121.06490	2.6
121.10132	2.2
122.03643	3.7
123.04401	2.7
125.05950	4.2
127.03901	1.7
130.04176	2.0
131.04916	29.2
133.02878	4.3
133.06483	4.5
135.08054	2.6
137.05960	56.4
143.04892	2.8
144.05721	1.7
145.06485	6.1
147.04384	7.9
148.05170	11.4
149.06012	3.5
151.03891	72.7
151.04993	5.2
151.07494	2.4
152.04326	1.5
153.05461	9.4
157.06479	2.0
159.07980	1.8
160.05154	2.5
161.05951	5.1
163.03745	1.5
163.07521	25.4
165.05431	3.4
165.09268	1.8
167.07027	21.9
171.04330	1.4
171.06502	2.0
173.05978	7.1
175.07503	15.6
176.04637	3.3
177.05464	6.6
179.06981	4.7
181.04930	21.4
181.06395	2.1
185.05879	1.7
187.07509	9.9
189.09102	3.8
190.06247	2.4
191.07011	100.0
193.08575	2.0
203.07056	3.9
205.08598	12.9
207.10217	2.0
209.08098	3.5
217.08601	5.6
219.10150	1.9
221.08051	1.8
223.13257	2.3
231.06517	2.1
233.07986	4.1
235.09535	9.1
247.09668	1.9
249.09024	1.6
250.06097	1.8
251.06999	2.2
253.08466	2.1
263.06995	1.7
263.09140	15.3
265.08344	3.3
265.10825	5.2
277.08508	2.2
283.09555	1.9
295.05664	1.5
297.11243	1.9
298.11435	1.4
307.09631	2.3
309.11246	2.0
311.11447	2.1
325.10693	5.6
327.12180	2.2
329.13916	2.0
337.10529	1.9
339.12088	5.5
341.13730	4.0
353.13724	4.1
355.11728	6.7
357.13171	6.6
359.14603	1.8
369.13364	3.6
371.14508	6.6
387.14331	68.2
388.14816	2.9
395.14883	1.5
549.20081	2.6
764.28479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35902	2.8
56.28511	2.8
65.03977	3.7
67.05468	3.1
69.03432	4.4
70.06611	3.0
79.05492	3.1
81.03453	3.2
85.02924	8.0
87.60514	2.8
91.05484	8.8
97.02906	3.4
99.04385	3.3
103.05457	14.1
105.07029	7.3
107.04883	6.3
115.05413	8.2
117.07001	6.8
118.04184	4.1
119.04942	8.8
121.06509	4.9
122.03638	5.5
123.04446	5.3
131.04903	33.6
133.02824	6.4
133.06540	3.8
137.05960	67.4
137.73967	3.2
145.06403	5.2
147.04416	9.8
148.05186	13.0
151.03893	75.1
151.04906	4.6
151.07552	4.4
153.05489	8.7
157.06602	3.0
161.05942	8.5
163.03951	3.5
163.07553	26.1
167.05690	5.7
167.07016	44.0
167.08321	5.0
173.06026	5.6
175.07547	20.0
177.05484	7.5
179.07016	11.3
181.04906	21.1
187.07570	8.9
191.07016	100.0
192.07207	3.4
193.08615	8.6
199.07445	4.2
200.64772	3.1
203.06993	5.7
205.08562	7.7
207.08131	3.9
209.08058	5.5
217.08530	6.5
223.07704	2.8
231.08046	5.4
233.05894	3.6
235.07504	6.8
235.09691	11.9
236.08362	3.2
237.09056	4.6
247.07683	5.9
249.09241	3.7
251.06915	3.5
252.07819	5.4
253.08632	3.1
263.09195	13.3
265.08484	7.1
266.09335	3.5
277.08505	6.0
279.10126	4.1
291.09998	9.0
293.07983	4.7
294.09067	3.7
307.09607	4.9
308.10306	3.6
309.11258	10.0
311.12860	5.0
312.95468	3.6
319.09628	10.7
321.11377	4.1
325.10718	5.3
327.12311	3.8
337.10715	34.2
338.11560	4.5
339.12201	8.1
341.13779	3.6
351.12320	12.6
353.13773	4.4
355.11661	8.2
355.15707	6.2
357.13373	12.6
359.14636	3.2
369.13275	66.4
370.13730	4.1
387.14352	50.8
434.12415	3.6
521.72858	3.2
766.05280	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	764.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	30.3
64.63567	18.6
67.05497	85.9
69.07100	25.3
79.05486	100.0
81.07038	69.6
91.05471	54.5
93.07021	88.9
95.04959	31.4
95.08605	59.6
98.22586	29.1
105.07021	40.2
107.08598	49.0
109.10130	25.4
119.08574	23.2
121.10095	37.4
133.10135	36.1
135.11685	45.8
147.11667	25.1
149.13274	23.4
160.48763	18.1
173.13232	21.7
212.20222	19.9
215.17920	24.5
307.22620	84.5
335.25699	79.7
361.62842	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77670	0.3
67.81464	0.4
69.63412	0.4
77.95536	0.3
93.51167	0.3
95.08556	0.4
98.22619	0.8
119.72781	0.3
122.37253	0.4
125.05239	0.4
159.81949	0.4
166.54613	0.4
169.04915	0.4
169.32344	0.3
185.04199	2.8
192.59897	0.3
229.08232	0.3
242.65051	0.3
309.09488	0.6
385.06506	0.4
394.13992	0.6
425.12027	0.6
439.13647	0.5
440.14258	2.7
441.15115	1.4
445.24426	0.4
449.14136	0.8
573.19012	0.7
587.17389	1.1
601.18610	1.7
603.20331	7.4
765.25610	100.0
766.25787	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	765.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73872	0.4
65.40302	0.4
71.04990	1.0
71.22079	0.5
73.02922	0.7
83.04991	0.8
111.04472	0.6
125.02129	2.6
126.02925	1.0
135.04491	0.9
137.06020	0.9
141.05222	0.7
147.06451	0.5
150.99971	0.7
153.05286	1.7
163.03891	4.3
167.06935	1.0
169.04741	3.2
172.00014	0.4
175.03647	2.2
188.04494	1.1
189.05177	0.9
213.07269	5.2
219.06232	2.7
234.06261	0.4
234.08574	12.4
234.10704	0.8
236.57767	0.5
255.08360	3.1
275.11044	0.5
297.09528	0.6
313.12616	0.9
325.09344	1.2
341.12009	2.1
357.11490	7.4
393.11758	0.8
407.13239	1.0
431.16623	3.2
463.15573	2.0
477.17242	2.2
523.17798	21.9
524.18628	1.1
535.17993	1.1
537.19354	31.5
538.19629	2.1
580.25018	0.4
649.35657	0.4
765.29230	100.0
766.16711	0.7
766.29639	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	765.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
57.03436	2.2
61.02921	5.6
65.03912	0.5
67.05495	3.5
69.03409	3.6
69.07071	1.1
69.73064	1.4
69.73409	0.4
71.04952	0.6
73.02909	4.0
79.05485	3.8
81.03396	2.8
81.07043	4.8
83.04959	0.6
83.08636	0.7
87.04486	0.4
89.63829	0.5
91.03931	3.4
91.05477	2.5
93.07025	4.2
95.04965	1.0
95.08586	2.9
97.02881	4.9
97.06497	0.5
99.04493	0.8
101.02388	1.8
103.03940	0.7
105.07026	1.5
107.08595	1.9
109.02871	0.8
109.10170	1.4
119.08577	1.1
121.10126	2.8
123.11716	0.7
127.03936	1.1
131.08578	1.1
133.10138	1.2
135.11671	0.8
139.11183	0.7
145.10072	0.4
147.11670	0.8
149.09647	0.9
161.13322	0.5
175.11169	0.5
184.38101	0.4
185.04286	1.1
193.12292	0.7
225.10948	0.4
227.43657	0.4
243.08310	2.4
251.12607	1.2
267.58197	0.5
269.13623	1.8
303.22455	0.4
324.65298	0.4
335.25784	0.7
378.92072	0.4
443.18857	3.6
469.20358	1.8
487.21368	4.4
519.29327	8.5
591.31635	0.5
721.41046	1.8
747.42841	3.4
765.43756	100.0
766.44073	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	766.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	0.3
65.03934	3.3
67.05495	2.2
69.03418	3.3
70.06578	0.5
71.04982	21.7
73.02905	0.4
79.05477	0.3
81.03403	5.5
85.02892	4.3
85.06528	5.2
86.09677	0.5
91.05444	0.4
95.04951	5.8
95.05526	0.5
97.02871	3.5
99.04433	1.0
105.07025	0.7
109.02151	0.6
109.02850	4.3
111.04448	2.2
113.05987	4.4
121.02847	100.0
121.03827	3.2
122.03139	1.9
123.04395	0.3
127.03902	3.4
127.07533	15.6
131.07014	4.6
136.07491	0.3
137.05952	0.9
139.03882	5.6
139.04929	0.4
140.26894	0.3
141.05373	1.6
144.39081	0.3
145.04962	1.7
145.08571	66.0
146.08897	0.9
151.03899	0.4
155.05829	0.6
155.07008	7.4
161.05843	0.5
163.03886	0.4
173.08072	5.1
175.07599	0.3
177.05382	0.4
177.09088	0.4
191.09105	8.4
193.08513	0.7
211.09561	0.8
247.05925	1.3
257.10117	1.2
265.07037	5.9
275.11084	0.5
283.08069	8.1
293.10120	2.5
299.11243	2.0
317.09531	0.3
317.12280	3.4
335.13275	4.2
351.14499	0.4
397.11041	0.6
420.45020	0.3
437.14020	0.7
455.15393	1.9
473.16541	0.4
599.19464	0.6
604.15552	0.4
617.20081	1.4
766.24976	0.4
766.41632	0.4
776.29443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
57.03445	1.3
65.03932	5.4
67.05495	3.4
69.03422	3.0
70.06583	3.9
71.04968	3.0
77.15079	1.3
79.05466	3.1
81.03416	3.6
81.07059	3.1
84.08115	2.6
85.02887	3.5
85.06541	1.2
91.05484	4.1
93.03401	2.5
93.07036	1.9
95.04964	3.5
97.02863	2.9
98.98438	2.2
103.05442	2.0
105.07017	5.0
107.04955	3.6
109.02885	2.6
109.06492	1.3
109.10133	6.3
109.71920	1.2
110.03607	4.1
111.04431	8.9
115.05429	1.4
115.60976	1.1
119.04915	3.7
121.02853	19.9
121.06464	2.5
125.05984	8.2
127.03876	2.6
129.06985	2.4
131.04910	3.4
131.08546	2.0
133.02850	2.1
133.06427	2.3
135.11664	1.5
137.05998	10.0
137.09602	8.0
139.03856	1.8
145.06502	2.1
145.08572	4.5
147.04390	2.4
149.05934	3.2
150.06760	1.5
151.03896	1.4
151.07498	4.1
153.05444	17.8
157.06519	1.8
161.05965	2.3
161.09592	3.3
163.03906	2.2
163.07507	3.0
165.05356	1.5
165.09079	5.8
167.07048	4.1
167.08408	1.7
174.06750	1.7
175.07556	4.5
177.05544	1.8
179.07021	1.3
179.08582	1.8
181.04916	3.1
181.06398	1.6
187.07494	2.3
189.09082	6.9
191.07007	1.9
193.08589	3.7
194.07291	1.4
195.08047	2.2
197.09605	1.9
199.07645	1.3
201.08980	1.5
206.04413	2.0
211.07637	2.5
211.09648	3.7
213.09129	1.4
217.08476	1.6
219.08064	1.5
219.10130	4.8
221.07996	2.8
223.07506	2.5
224.08237	1.3
225.09109	3.7
235.07568	2.0
237.09117	2.7
238.06218	1.6
238.09804	1.5
239.07056	1.8
240.07841	4.6
249.09012	2.7
251.10521	1.3
252.07848	2.0
253.08517	11.0
253.12170	3.3
253.14560	1.9
255.06552	1.7
255.10091	2.3
257.07971	1.7
261.09015	1.5
266.05762	1.7
266.09216	2.3
267.10138	2.8
268.07303	2.1
269.08075	2.6
277.08432	2.6
279.10034	1.8
281.08099	1.2
281.11728	3.4
283.09442	5.6
284.10489	2.9
285.11133	2.9
295.09799	2.5
297.11197	2.2
298.11823	1.8
299.12729	4.5
308.09344	1.5
309.11203	4.5
310.11969	2.0
311.12604	3.0
313.10611	6.8
313.14218	4.8
325.10638	1.5
327.12183	23.6
328.12967	2.0
329.13757	6.0
331.15408	2.6
339.12137	5.2
341.13724	6.0
343.15396	2.3
353.09708	1.4
357.13345	3.8
358.13382	1.5
359.14828	100.0
360.15213	4.6
361.16354	1.8
371.14935	16.4
389.15863	9.5
397.18002	1.6
415.19333	3.4
509.21677	2.6
601.11127	1.8
760.97223	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.7
67.05500	0.7
69.03454	1.2
69.35959	0.7
70.06564	0.7
79.05482	0.9
85.02885	4.0
91.05470	2.7
93.07002	1.4
95.04935	0.7
95.08552	1.2
96.45524	0.8
97.00237	0.6
97.02883	1.0
103.05453	1.0
105.07025	2.1
107.04939	1.7
111.04396	0.9
119.04916	2.2
120.04504	0.7
120.06558	0.7
121.06486	1.2
123.11723	0.9
125.05976	1.0
129.05444	1.0
129.06990	1.3
131.04907	0.7
133.02853	1.8
133.06451	2.3
137.05957	4.4
145.06483	0.8
147.04387	2.0
149.05962	1.5
151.03844	0.7
151.07518	2.5
153.05403	0.9
159.08090	0.8
161.05984	1.0
162.22978	0.7
163.07513	3.0
165.06984	0.9
167.07007	7.9
175.07498	3.5
177.05504	1.2
177.09079	13.2
179.06958	2.0
181.04961	2.2
181.08572	1.5
189.09070	1.6
191.06999	1.5
191.08589	1.0
193.08582	7.9
194.07347	1.6
195.08194	1.2
195.10126	1.1
206.07220	0.9
207.08055	1.3
207.09891	0.9
209.06042	0.8
219.08173	0.7
219.10172	1.7
221.06024	1.2
221.09578	1.8
221.11743	3.2
222.06670	1.2
223.07462	2.3
224.08377	1.7
225.14806	1.2
233.09599	0.9
234.06731	1.9
235.07443	1.9
236.08276	2.1
237.05486	0.9
237.09039	1.9
239.06989	0.8
249.09055	8.2
250.06316	1.3
250.09851	1.9
251.07013	2.1
252.07829	6.6
253.08492	2.6
261.09009	1.2
263.06967	1.3
264.07733	2.7
265.08539	10.3
266.09283	4.8
267.10126	1.5
268.07166	1.5
269.08026	1.5
269.11935	0.7
277.08551	2.9
278.09406	1.5
280.07224	6.3
281.08011	3.3
281.11652	0.7
283.09531	1.9
285.07687	0.8
285.11093	0.9
293.08032	3.0
293.11707	6.9
294.08823	1.3
295.09622	3.7
296.10486	6.2
298.08405	1.2
299.12723	1.0
300.09970	2.4
306.08701	0.7
309.11224	2.4
310.11819	1.0
311.12778	8.3
313.10617	8.8
313.14288	4.9
314.11267	0.9
321.11163	6.6
325.10809	1.1
325.14554	0.9
326.11362	1.8
327.12247	2.3
331.15460	0.8
339.12250	52.8
340.12762	5.2
341.13873	3.6
343.15292	2.9
353.13522	0.9
359.14841	16.2
359.18976	1.5
361.16528	1.2
370.13428	1.1
371.14841	100.0
372.15186	4.3
375.36588	0.8
602.55591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.6
65.03912	1.1
67.05475	0.8
69.03411	2.5
70.06577	2.4
71.04974	0.9
71.44092	0.7
79.05504	1.3
81.03430	1.5
81.07043	1.8
81.98116	0.6
83.04977	1.5
84.08137	1.4
85.02880	3.6
91.05498	3.4
95.04978	1.4
95.08556	0.8
97.02874	1.5
103.05466	0.9
105.07029	2.3
107.04965	1.8
109.10142	1.3
111.04436	0.7
114.48515	0.6
115.03923	1.0
115.05337	0.7
117.07019	1.0
119.04910	1.7
120.64356	0.8
121.02809	1.1
121.06469	1.4
123.04414	1.0
125.05951	0.9
127.03956	0.7
129.07005	1.0
131.04935	1.7
131.08669	0.8
132.80701	0.7
133.02849	2.2
133.06448	1.3
135.04343	0.7
137.05978	5.0
137.09639	1.6
139.11156	1.5
145.06461	0.7
147.04399	1.5
149.05936	1.3
151.07521	3.9
153.05449	1.2
159.08057	0.8
159.11630	0.7
159.53978	0.7
161.05956	2.0
163.07550	2.2
165.05504	1.0
165.07004	0.8
165.09099	1.1
167.07062	6.8
167.08420	1.3
168.99220	0.7
173.06102	0.8
175.07526	1.7
177.05472	1.0
177.09094	14.4
178.07831	0.7
179.06999	1.8
181.04935	3.0
181.08516	0.9
189.09088	1.6
191.07018	0.8
193.08577	8.3
195.08022	1.3
195.10161	0.7
206.07263	1.2
207.07986	0.9
209.05954	0.8
210.14792	0.9
211.07529	1.2
219.08083	0.8
219.10146	1.4
221.05978	1.2
221.09698	1.6
221.11691	2.9
222.06772	1.1
223.07471	2.6
224.08290	1.5
225.05437	0.9
225.09048	1.4
234.06830	2.0
235.07434	2.1
236.08316	2.4
237.05400	0.8
237.09102	2.3
238.09763	0.9
239.07056	0.8
241.08635	0.9
249.09053	7.3
250.06259	0.9
250.09883	2.5
251.06900	1.6
252.07727	5.7
253.08553	2.6
257.08014	0.8
263.07062	1.9
264.07764	2.8
265.04938	0.9
265.05414	0.9
265.08554	9.1
265.11456	0.9
266.09415	6.5
267.10126	1.9
269.08157	1.0
269.11694	0.8
277.08609	2.3
278.09268	1.8
280.07251	5.0
280.10349	1.0
281.07983	3.0
281.11423	1.0
282.08752	0.8
283.09653	2.6
285.11304	1.2
293.08255	1.3
293.11685	7.6
294.08859	1.0
295.09595	2.9
296.10339	5.7
297.11002	1.4
299.12741	0.7
300.09848	2.5
309.11047	2.3
310.11911	1.4
311.12723	9.3
313.10648	8.3
313.14371	3.8
321.11249	5.3
324.09894	0.9
325.10587	1.3
326.11618	0.9
327.12152	2.3
331.15311	1.6
339.12219	52.6
340.12784	4.2
341.13635	2.5
343.15436	1.4
356.12500	1.1
359.14865	19.3
361.16519	2.0
371.14841	100.0
372.15305	4.7
410.78949	0.8
468.95651	0.7
509.21964	0.9
649.76166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
55.57428	0.4
60.20860	0.4
65.03928	4.4
67.05489	1.4
69.03412	1.0
69.46977	1.0
69.47372	0.8
70.06573	1.3
77.03953	0.4
79.05476	0.6
81.03397	0.6
81.07039	0.8
82.04175	0.8
85.02892	1.9
86.09704	0.4
91.05473	2.0
93.03387	2.4
93.07036	1.0
95.01300	0.7
95.04956	1.3
95.08586	0.7
97.02885	1.4
97.06477	0.6
98.22733	0.6
103.05447	1.2
105.03387	0.5
105.07018	1.4
107.04310	0.5
107.04899	2.1
108.02075	0.5
109.02889	0.5
109.10111	0.7
110.03664	4.8
111.04430	7.1
112.04762	0.6
115.03967	0.5
117.07002	1.0
119.04932	2.3
121.02850	5.4
121.03716	0.6
121.03990	0.4
121.06487	1.5
123.04433	0.8
123.08025	0.5
125.05949	7.3
127.03889	0.8
129.06987	1.2
129.10272	0.5
131.04944	1.5
131.08517	0.9
131.58813	0.5
133.02826	2.8
133.06490	0.7
133.10226	0.5
135.08015	0.8
137.05945	5.1
137.09576	1.0
145.06468	1.5
147.04387	2.9
147.08005	0.8
149.02315	1.8
149.05972	1.2
151.03882	1.4
151.07538	3.5
153.05437	15.3
154.05769	1.1
157.06462	1.4
159.08008	1.2
161.05943	2.7
161.09612	1.5
162.06776	0.5
163.03905	0.6
163.07527	2.2
165.05466	1.2
165.06964	1.2
165.09181	0.8
167.07048	4.5
168.07359	0.5
169.06476	0.6
174.06708	0.8
175.07532	1.9
177.05481	1.2
177.09000	0.7
179.07016	1.3
179.08484	0.5
181.04956	1.9
181.06409	0.8
181.08556	1.3
182.07210	0.8
183.07961	0.4
187.07515	1.0
189.09117	2.1
191.07018	1.8
191.08589	0.7
193.08626	0.9
194.07288	0.6
195.08011	1.9
195.10001	0.9
197.05925	0.9
197.09673	0.8
203.06903	0.6
204.07396	0.5
205.06487	0.6
207.08005	1.1
208.08755	0.5
209.06145	0.8
210.06718	1.5
211.07501	1.4
212.08258	1.2
217.08475	0.6
219.08063	0.8
219.10187	2.0
220.08774	0.7
221.05965	1.2
221.09610	1.9
222.06729	0.7
222.10323	0.7
223.07542	2.5
223.11021	0.8
224.08226	1.3
225.09033	2.8
226.09706	0.5
227.06996	1.1
227.10689	0.7
231.08055	0.7
234.06772	1.4
235.07504	1.3
237.05376	0.8
237.08983	2.6
238.06146	1.7
238.09830	1.8
239.06938	2.1
239.10640	1.9
240.07755	4.4
241.08621	1.0
247.07475	0.5
248.08160	0.6
249.05426	0.7
249.09052	2.8
249.11348	0.8
250.09814	0.5
251.07086	1.9
251.10617	1.6
252.07774	1.9
253.08534	10.4
253.12149	3.5
254.09309	1.8
255.06516	1.5
255.10155	3.0
257.08060	1.0
261.09146	0.7
263.06967	0.8
263.10657	0.5
265.08432	2.2
266.05777	0.5
266.09363	2.3
267.06616	1.0
267.10098	2.4
268.07382	1.3
268.10806	0.7
269.07977	1.8
270.08832	2.3
271.13342	0.8
275.20093	1.3
277.08603	1.4
278.09363	1.0
279.06763	0.6
279.10098	1.0
281.08002	3.0
281.11365	3.4
282.08820	1.5
283.09555	6.3
283.12708	1.0
284.10446	1.6
285.08044	0.8
285.11243	2.8
285.14822	2.1
293.11652	0.5
293.21042	1.1
294.08740	1.0
295.09668	3.2
296.10358	1.0
297.11072	1.9
298.08658	0.7
298.11969	1.7
299.09451	0.8
299.12695	4.7
300.09964	0.9
308.10147	0.8
309.11163	4.9
310.11679	2.1
311.12680	1.3
313.10626	8.9
313.14325	4.4
321.11020	0.6
325.10635	1.5
326.11157	1.3
327.12170	19.9
328.12732	2.6
329.13791	1.9
331.15305	3.7
339.12170	2.9
340.12595	0.6
341.13736	4.4
343.15323	1.0
350.52429	0.5
357.13177	2.2
358.13394	0.6
359.14804	100.0
360.15234	3.3
361.16528	2.6
371.14801	9.2
373.16318	0.7
389.15714	4.7
403.60254	0.5
463.15884	0.5
491.20236	0.5
509.21399	1.4
535.17926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.05492	0.7
59.13422	0.3
62.63087	0.3
64.27576	0.3
65.03929	4.4
67.05493	1.1
69.03405	0.7
70.06573	0.9
70.82752	0.3
71.04977	0.7
71.44486	0.3
79.05482	0.5
81.03402	0.6
81.07000	0.3
82.04189	0.5
83.08599	0.8
83.45734	0.3
84.08134	0.7
85.02889	1.2
88.10973	0.3
91.05478	1.9
91.05965	0.4
93.03390	2.9
93.28446	0.3
95.01308	0.8
95.04980	0.9
95.08584	0.3
97.02849	0.3
97.06513	0.3
98.98476	0.4
100.11250	3.7
103.05443	0.4
105.07043	0.7
107.04948	1.4
109.10123	0.5
110.03640	4.7
111.04436	6.1
115.03947	0.3
115.05371	0.3
115.56445	0.3
119.04919	1.2
121.02855	4.9
121.06506	0.7
122.03602	0.4
123.04464	0.4
125.05974	6.8
127.03912	0.5
128.07054	0.4
129.06978	0.5
131.04906	0.8
131.08604	0.3
133.02826	3.2
133.06454	0.4
135.04405	0.6
135.08076	0.5
137.05956	3.6
137.09557	0.5
138.03113	0.7
144.05602	0.4
145.06464	0.8
145.08560	0.8
147.04376	1.6
147.08043	0.4
149.02322	1.2
149.05969	0.8
151.03920	0.4
151.07504	2.5
153.05444	15.2
157.06520	0.3
159.00775	0.3
159.08038	0.8
161.04831	0.3
161.05934	1.5
161.09561	1.4
162.06700	0.5
163.03886	0.8
163.07541	1.1
165.05429	1.0
165.07008	1.0
165.09093	0.6
167.07033	2.4
167.08496	0.8
168.17455	1.1
175.07503	1.5
177.05434	0.6
177.09070	0.5
178.07782	0.9
179.06966	0.7
179.08487	0.7
181.04950	0.6
181.06442	0.8
181.08585	1.0
182.07295	0.5
182.15416	1.3
183.07988	0.4
187.07596	0.6
188.08249	0.5
189.05421	0.4
189.09113	1.2
191.07011	0.6
193.06470	0.9
193.08452	0.6
194.07251	0.6
195.08025	2.0
195.09822	0.4
196.08725	0.5
197.05870	0.6
197.09592	1.0
198.06685	0.3
203.08525	0.4
205.06538	0.5
206.07254	0.4
207.08017	0.9
208.08742	0.4
209.05966	0.5
209.09602	0.8
209.16434	0.8
210.06721	1.7
210.14865	2.2
211.07430	1.3
211.09363	0.3
212.08344	0.9
213.08937	0.4
217.08572	0.3
219.08150	0.4
220.08652	0.3
221.05968	1.2
221.09593	1.9
222.06685	0.6
222.10355	0.4
223.07532	2.4
223.11075	0.8
224.08237	1.1
225.05455	0.4
225.09047	2.0
227.07088	1.9
227.10640	0.8
229.08598	0.3
234.06693	1.1
235.07556	1.3
235.11348	0.4
236.08247	0.6
237.05498	0.4
237.09055	2.6
238.06136	1.3
238.09814	2.2
239.07021	2.5
239.10681	1.6
239.12758	1.0
240.07771	4.8
241.08479	1.4
249.05536	0.4
249.06679	0.3
249.09077	2.2
249.11226	0.6
250.09843	0.7
251.06958	1.6
251.10695	0.6
252.07657	1.6
253.08571	11.2
253.12202	5.2
254.09352	1.7
255.06439	1.5
255.10150	2.6
256.10718	0.4
257.08112	1.3
263.07004	0.6
264.07608	0.3
265.04980	0.4
265.08505	1.1
266.06299	0.6
266.09360	2.4
267.06525	0.9
267.10114	2.9
268.07269	1.5
268.10788	0.4
269.07996	1.9
269.11768	0.4
270.08853	1.6
270.12482	0.5
271.13226	1.0
272.10352	0.4
277.08517	0.7
278.09302	0.4
279.06888	0.4
279.10156	0.8
280.07230	0.3
280.10791	0.4
281.08087	2.8
281.11694	4.6
282.08789	1.8
282.11865	0.4
283.06375	0.4
283.09598	6.0
283.12827	0.6
284.10410	1.9
285.08011	0.5
285.11179	2.4
285.14755	1.3
294.08801	1.2
295.09506	2.4
296.10321	1.1
297.07993	0.5
297.10995	1.5
298.08298	1.0
298.12015	1.3
299.12766	5.8
300.09955	1.4
300.13016	0.3
303.15878	0.7
309.11166	5.1
310.11853	2.4
311.09311	0.5
311.12750	1.2
313.10632	9.6
313.14316	4.3
314.10910	0.4
316.13232	0.4
325.10687	0.3
326.11517	0.6
327.12225	21.3
328.12872	2.5
329.13922	0.4
331.15335	2.2
339.12192	1.0
341.13766	3.2
343.15436	1.8
344.12308	0.5
345.16913	0.9
355.15356	0.5
359.14825	100.0
360.15131	5.0
361.16449	2.2
371.14865	7.1
372.15298	0.4
385.16165	0.4
389.15860	3.7
456.71259	0.3
491.20450	0.7
509.21790	2.0
527.95752	0.3
765.58417	2.8
766.58447	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
55.05498	2.6
57.03176	0.8
57.03430	10.1
61.02902	1.1
62.85130	0.6
67.05496	2.6
69.03419	17.1
69.07071	1.4
70.06574	1.7
71.01350	2.8
71.04980	63.3
73.02902	7.6
75.04468	4.0
79.05479	1.9
81.03397	1.3
81.07040	3.4
83.04967	12.1
83.08595	0.7
85.02889	100.0
87.04450	2.7
91.05446	1.4
93.07037	2.7
94.10456	0.7
95.04960	3.1
95.08597	5.2
97.02876	19.2
97.06522	1.5
97.10189	0.7
99.04444	5.9
101.06028	0.8
103.03956	1.2
105.07001	3.3
107.04978	0.6
107.08578	4.1
108.74929	0.6
109.06469	0.9
109.10102	3.1
110.56045	0.6
111.04419	10.4
113.02352	0.9
113.05982	1.1
115.03109	1.0
115.03911	18.2
117.05466	2.5
119.08537	5.0
121.06475	0.8
121.10114	2.3
123.04411	0.8
123.11694	1.2
125.06086	0.8
127.03902	1.4
129.05453	33.2
131.08577	1.8
133.10124	3.2
135.11682	1.9
139.03885	2.8
143.08502	1.1
145.04971	2.0
145.10109	3.0
146.08090	2.4
147.06505	18.9
147.11659	2.3
149.13255	2.3
150.07581	1.7
152.52238	0.6
153.05432	0.8
157.04980	1.3
157.10103	1.1
159.06464	1.4
159.11697	2.6
161.09631	0.7
161.13242	2.3
163.06009	1.4
163.11150	1.0
163.14825	1.7
164.09181	7.9
165.05464	0.9
165.07526	1.0
169.04996	0.8
169.47028	0.7
171.06541	1.9
171.11804	0.6
173.13280	1.8
175.05989	1.4
175.14810	3.5
177.16331	3.5
179.07091	0.6
181.12202	1.5
183.11659	0.7
187.14738	3.7
189.16365	5.4
191.17944	1.0
195.06522	0.8
199.06064	0.7
199.14821	1.6
201.16376	3.6
203.14259	1.0
203.17921	4.6
205.15833	3.4
213.16368	0.9
215.17984	1.4
217.15849	1.4
219.17288	0.8
221.15401	1.4
225.07542	9.3
225.16295	0.8
233.19000	0.6
241.19164	0.9
243.08572	8.6
249.18512	1.6
253.19441	0.8
261.09732	4.6
279.10724	8.1
296.13382	1.5
381.31140	1.1
387.17010	0.7
389.31851	1.4
406.78702	0.7
407.33005	8.0
409.34543	1.2
425.34106	6.7
435.32663	5.5
437.33981	1.0
453.33527	15.1
471.34912	1.4
581.37970	2.5
599.39050	1.7
604.41687	0.9
766.47083	1.8
767.41339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.238
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01848	0.2
68.99783	0.2
69.03377	0.1
71.04985	1.1
77.66306	0.1
79.05408	0.2
81.03388	0.2
81.07034	0.2
85.02874	0.3
85.06506	0.3
91.05446	0.3
95.04951	0.2
97.02898	0.2
100.11261	0.3
103.05431	0.2
109.02826	0.3
111.08056	0.3
113.05979	0.2
115.05373	0.2
115.67826	0.1
119.04188	0.1
119.04929	0.9
121.02876	0.7
127.07536	0.7
131.07011	0.3
137.05980	0.7
145.02837	0.8
145.08583	3.1
151.03871	0.2
153.01814	3.1
161.05949	0.2
163.03857	0.3
167.06972	0.3
169.12210	0.4
171.02892	0.8
172.68520	0.2
175.07440	0.2
187.06032	0.2
225.05444	0.3
229.04816	0.2
271.05960	100.0
272.06314	2.9
287.05322	0.2
313.07132	0.3
327.12335	0.1
379.08441	0.2
433.11240	24.3
434.11707	1.0
494.60751	0.1
552.95447	0.1
595.16687	0.4
605.18304	1.0
621.31769	0.1
703.15118	0.2
766.61920	0.3
767.23944	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	767.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05061	0.1
67.01853	0.5
68.99799	0.4
69.03392	0.2
71.04630	0.2
71.04986	2.9
81.03390	0.4
85.02876	0.3
85.06514	0.5
89.78396	0.1
91.05467	0.3
95.04975	0.2
95.64622	0.2
97.02881	0.3
109.02856	0.5
113.05998	0.6
119.04940	1.6
121.02834	0.6
127.03885	0.5
127.07523	1.6
131.06999	0.7
137.05978	0.3
145.02870	0.7
145.08575	10.1
153.01810	4.4
155.07005	0.2
163.03835	0.4
164.82538	0.1
171.02895	1.0
187.05956	0.2
191.09178	0.4
203.06972	0.2
225.05441	0.5
229.04947	0.2
243.06491	0.3
257.10196	0.2
271.05960	100.0
272.06308	2.9
313.06735	0.2
317.12341	0.2
393.12561	0.2
433.11154	1.8
576.98041	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	767.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	0.2
67.01849	0.4
68.99788	0.4
69.03427	0.8
70.06100	0.3
70.06431	0.2
71.04980	4.0
81.03396	1.1
85.02896	1.5
85.06535	1.0
91.05424	0.4
95.04959	0.3
95.64449	0.2
97.02875	0.9
97.53706	0.2
98.23104	0.4
99.04425	0.2
103.07585	0.2
105.07018	0.2
109.02861	1.1
111.04415	0.2
113.05987	1.3
115.03920	0.2
119.04909	1.4
121.02834	0.7
127.03892	1.5
127.07537	2.7
129.05365	0.2
131.07025	1.1
145.02786	0.8
145.04907	0.7
145.08571	14.6
146.08815	0.3
151.03842	0.2
153.00618	0.3
153.01801	4.5
155.06961	0.3
159.47462	0.2
163.03896	0.6
171.02855	1.1
173.08081	0.4
191.09123	0.9
197.05984	0.2
203.06917	0.2
205.04976	0.2
225.05473	0.4
229.05020	0.2
243.06367	0.3
257.10068	0.3
271.05948	100.0
272.06308	3.1
275.11383	0.3
299.11142	0.3
313.07028	0.7
317.12198	0.7
335.13162	0.5
379.07822	0.3
407.66815	0.2
433.10757	0.2
605.18390	1.4
767.22833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03406	4.8
58.71946	3.5
58.77509	3.7
67.05499	4.2
69.03420	4.1
69.07067	5.3
69.20888	18.4
71.04976	26.6
73.02908	6.9
75.24949	3.7
81.07042	7.6
83.04967	8.0
85.02900	43.7
91.05459	5.4
93.07024	7.8
93.09909	4.4
95.08591	14.4
97.02882	5.8
98.71970	4.0
105.06998	5.4
107.08574	12.4
109.10144	17.5
111.04401	5.1
111.08067	5.0
115.03893	11.4
119.08574	8.5
121.10174	6.9
128.92143	3.9
129.05495	20.3
131.08620	5.7
133.10100	14.2
135.11690	8.5
138.11719	4.1
147.06503	11.8
147.11641	11.7
149.13264	12.1
159.11801	4.0
161.13249	7.2
163.14781	6.2
173.13275	5.4
175.14754	5.0
187.14766	4.8
189.16365	15.1
196.99416	4.0
201.16336	11.0
203.17952	15.6
207.17465	7.4
215.17967	7.4
220.02963	4.3
225.07458	4.6
243.08412	4.3
279.10751	8.1
342.86285	4.4
391.33749	6.3
397.31030	4.2
409.34619	10.9
410.34552	7.0
437.34164	50.4
438.34271	14.6
455.35074	31.7
456.35159	11.4
491.11969	4.2
758.63885	4.5
769.22375	100.0
770.22528	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	769.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68102	0.2
69.61683	0.9
89.18732	0.2
100.77925	0.3
121.06481	0.4
125.46008	0.3
126.07437	0.3
131.04979	0.3
137.05965	1.2
151.03929	0.4
161.06023	0.3
167.06981	2.2
167.08116	0.2
168.07405	0.9
175.03702	0.7
181.35561	0.2
182.15172	0.3
185.04176	0.6
204.03973	0.7
211.09685	0.6
213.05116	0.4
271.06052	0.7
287.05539	0.3
309.09454	0.6
337.09045	0.9
364.13272	0.3
391.11362	0.4
395.11234	0.7
409.12689	0.6
410.13165	1.2
419.13220	0.8
529.16895	0.3
543.18652	0.9
553.16833	1.0
557.16370	1.8
571.17859	1.7
572.18311	2.2
573.19458	0.5
607.21014	0.9
769.26581	100.0
770.26923	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	769.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14494	0.9
63.06459	0.9
69.03416	1.2
69.75134	1.0
69.75484	2.8
70.99898	0.9
79.05491	1.0
81.07036	1.0
91.05483	1.8
97.02911	1.3
103.05491	2.3
105.07024	1.9
107.04955	1.0
111.07295	0.9
119.04945	1.4
130.82616	1.0
131.04903	5.0
132.05243	1.0
133.06523	1.3
137.05949	6.0
147.04422	1.0
149.05978	1.5
151.03865	1.9
161.05942	4.6
163.03880	1.9
163.07573	2.5
164.07928	1.0
175.03812	1.4
175.07497	1.2
177.05496	1.4
179.07121	1.0
187.07567	1.0
188.07939	0.9
199.07394	1.1
231.65974	1.1
309.11435	1.6
310.11658	1.3
361.10535	1.6
470.17038	1.1
517.99640	1.2
557.16370	2.2
571.17670	2.3
572.18671	2.2
585.21222	0.9
602.93640	1.0
619.97229	1.1
625.13837	1.0
726.36133	1.1
769.26526	100.0
770.26807	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	770.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05494	0.8
65.03925	0.9
67.05496	14.9
68.79992	0.5
69.03419	16.4
69.07050	1.0
70.06568	0.8
71.04964	0.5
73.02905	0.7
79.05482	2.8
81.03410	0.9
81.07047	9.8
84.08112	0.6
85.02896	2.7
87.04439	0.8
91.05478	2.1
93.07030	3.5
95.04932	3.6
95.08601	5.4
97.02879	28.0
103.05428	0.6
105.07029	1.4
107.04938	0.9
107.08591	1.7
109.02875	0.9
109.06504	2.0
109.10139	44.0
110.10472	0.8
115.03918	17.3
115.19589	0.5
119.04938	0.8
119.08549	2.3
120.74461	0.5
121.06482	1.2
121.10094	0.8
122.03664	0.5
127.03960	1.0
129.06996	0.7
131.04951	0.9
131.08522	0.6
133.02849	0.6
133.04947	5.2
135.08055	0.6
137.05981	6.3
137.09593	90.3
138.09912	1.8
145.06516	0.7
147.04347	0.9
147.07977	1.2
149.05925	1.0
151.04025	0.5
151.07549	1.9
155.10626	2.0
161.05945	4.8
161.09619	0.9
163.03879	1.6
163.07584	1.2
165.09090	100.0
166.09418	2.0
173.66707	0.6
174.06750	0.5
175.07520	1.6
175.14836	0.8
177.05479	0.6
177.09096	0.7
183.10178	1.7
189.09085	2.3
194.83269	0.6
195.08093	1.0
201.11191	1.6
207.10170	1.6
209.05777	0.5
219.08113	0.8
219.10143	1.2
225.09160	0.8
246.68201	0.6
247.07390	0.9
251.07014	0.6
253.08568	1.2
265.08621	1.5
269.13965	3.6
277.08682	0.8
283.09686	0.6
297.13333	32.4
298.13785	0.9
309.11002	1.0
311.12732	1.3
315.14484	5.2
319.60901	0.5
323.12814	0.6
327.12158	0.7
329.13867	3.4
341.13812	1.0
355.15460	2.3
367.15286	0.7
376.21545	0.6
411.16428	2.5
429.17511	77.9
430.17899	4.0
473.50644	0.6
694.23596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05512	1.1
57.03426	0.9
57.84893	0.3
65.03923	0.4
67.01852	0.4
67.05494	16.4
69.03420	8.6
69.07055	0.9
70.06569	0.8
71.04967	2.0
73.02906	0.5
79.05483	2.4
81.03405	26.3
81.06562	0.6
81.07045	10.4
83.04966	1.3
84.83482	0.3
85.02902	4.9
85.21893	0.3
87.04489	0.3
91.05474	1.8
93.07030	3.3
95.04956	3.9
95.08592	6.1
97.02872	5.2
97.06480	0.4
99.04434	3.6
99.08123	0.6
105.06961	0.4
107.04972	0.4
107.08578	3.3
109.02863	23.9
109.06483	1.8
109.10140	43.8
110.10461	0.8
111.04401	1.6
113.05993	0.4
115.03935	1.8
116.04258	0.4
117.06999	0.5
119.04912	0.4
119.08553	3.3
121.02830	0.5
121.10133	0.9
123.04443	0.8
125.02297	0.7
125.05994	2.1
127.03899	21.6
135.04393	0.5
135.08031	1.0
136.71365	0.3
137.09593	100.0
138.09923	2.1
139.03874	0.4
145.04950	0.4
147.04440	0.5
147.07996	0.6
151.03920	0.5
155.10640	5.7
161.05942	0.4
163.03912	1.3
165.09088	75.9
166.09465	1.0
175.03845	0.4
177.05379	0.7
181.08571	0.4
183.10136	6.2
189.05405	0.4
193.04961	0.6
201.09293	0.7
201.11189	12.1
205.04961	0.4
206.04469	0.4
217.04912	1.3
223.05991	0.5
225.11134	1.5
233.11972	0.3
235.05984	1.7
241.07114	0.4
243.12352	0.6
245.11749	0.6
253.07039	0.7
255.12303	0.5
263.12662	0.6
281.13846	0.6
285.13181	0.3
287.05380	0.5
291.12262	4.4
297.13367	0.5
299.95709	0.3
309.13269	19.0
310.13602	0.9
321.76382	0.4
327.14331	25.1
327.51816	0.3
328.14639	1.0
345.15430	1.9
355.13614	0.7
369.15387	4.7
387.16373	1.2
399.15955	0.4
411.15808	0.4
417.15274	1.3
423.16266	1.0
435.16434	6.7
441.12192	0.3
441.17175	1.9
453.17480	17.2
454.17056	0.7
471.18536	20.8
472.18689	1.3
478.67783	0.5
489.12839	0.4
489.19583	7.1
567.20404	0.5
585.21442	0.7
771.23737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	2.6
70.71768	3.4
79.05480	3.9
80.79540	2.0
81.07051	4.0
84.86362	1.9
85.02917	2.0
88.56769	1.8
90.18508	2.6
91.05485	19.3
93.07038	2.4
94.04158	2.4
94.77405	1.9
95.04957	8.0
103.05441	7.0
105.07009	9.7
107.04920	15.1
109.06506	3.5
111.04433	2.7
115.05460	3.8
117.03364	2.2
117.06967	4.3
119.04924	12.8
121.06515	11.5
122.03634	5.5
123.04439	3.9
127.90498	2.1
128.06187	4.6
129.07013	8.6
131.04893	13.3
131.08556	4.2
133.02832	12.3
133.06473	5.2
135.04382	4.6
135.08055	5.0
137.05957	100.0
137.09630	3.2
145.06445	5.9
146.03670	2.2
146.07216	2.2
147.04373	8.5
147.08002	4.0
149.05952	16.2
151.03909	6.0
151.07504	28.5
157.06483	5.3
159.08003	3.4
159.18246	2.0
161.05945	62.5
161.09595	10.7
162.06650	4.2
163.03864	2.7
163.07503	14.2
165.05544	2.5
165.06993	4.3
165.09129	6.9
167.07059	5.4
167.08502	4.2
173.05995	2.4
174.06746	6.5
175.07495	23.9
177.05403	5.2
177.09035	5.0
178.07539	2.3
179.07007	5.1
179.08470	3.8
181.06438	3.1
181.21278	2.0
187.07524	9.0
188.08194	2.7
189.09071	24.2
191.06987	2.5
191.08575	5.0
193.06386	3.8
194.07158	2.9
195.07986	7.6
195.09993	3.3
197.09569	2.6
199.07523	2.6
203.07062	2.8
205.06595	2.5
205.08507	3.8
206.07222	2.2
207.08223	3.4
207.10146	22.9
209.06090	2.3
209.09717	3.5
210.06587	2.7
211.07503	7.1
212.08223	2.3
213.09079	4.6
217.08530	4.1
219.07993	9.1
219.10143	16.9
221.05975	3.9
221.09467	3.6
223.07472	7.7
223.11208	3.2
225.05469	2.5
225.09007	9.5
227.07008	3.2
227.10648	4.4
233.05840	2.9
234.06709	4.5
235.07550	7.2
236.08302	4.3
237.09027	9.5
238.09792	3.5
239.07062	4.6
240.07788	3.7
241.08521	3.4
246.49550	2.1
247.07555	6.8
249.09131	4.9
251.07005	5.9
251.10651	4.9
252.07556	2.8
253.08542	15.2
254.09274	2.2
255.06535	3.8
255.10185	4.2
261.08997	3.2
263.06946	2.2
264.07718	2.4
265.08566	14.4
266.09354	3.8
267.10071	5.3
268.07504	3.5
268.10794	2.6
269.07956	3.7
269.11624	2.3
270.08780	5.6
271.05835	13.9
272.06213	11.8
273.06464	6.7
273.11209	3.0
274.06897	3.5
277.08578	5.9
279.10159	9.2
280.10989	2.5
281.07913	4.0
282.08768	2.2
283.09628	12.9
283.12961	4.6
285.11191	8.8
287.12640	3.2
289.08655	3.6
291.10083	5.0
295.09564	6.0
296.10297	6.1
297.11157	26.6
298.12018	2.6
299.12769	2.2
305.11563	4.7
307.09586	5.8
308.10330	3.0
309.11005	10.9
310.11847	3.3
311.12799	14.9
313.14099	3.8
315.12189	7.4
321.11151	4.4
323.12704	8.2
327.12280	13.1
329.13834	39.9
330.14230	5.4
331.15314	7.0
333.11340	2.1
335.12558	3.7
337.14291	6.9
339.12247	5.4
340.12839	4.6
341.13727	17.5
349.14221	3.2
353.13635	2.6
355.15408	28.8
367.15332	10.6
379.15701	2.5
397.16260	6.7
434.11148	3.5
445.16473	3.9
457.16431	2.5
459.17691	3.8
475.17014	2.9
477.19257	5.0
489.18973	6.0
493.18433	2.4
507.19894	8.8
519.19873	2.6
537.21021	3.0
639.25330	3.8
770.25092	3.9
771.24719	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	771.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.8
98.97603	1.6
113.79888	0.7
145.34819	0.6
158.99727	1.6
163.03937	1.7
177.00742	1.3
184.27313	0.7
189.00731	1.5
197.21275	0.7
207.17055	0.8
219.01805	3.0
237.02910	2.6
255.01811	0.9
261.03079	0.7
308.19803	0.7
315.04034	2.0
333.04858	4.2
341.81436	1.0
375.06161	2.3
393.07095	0.8
435.08151	2.7
476.13596	0.7
531.74219	0.8
591.12494	2.1
609.13556	1.4
771.19464	100.0
772.19586	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	771.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
61.02910	0.2
64.03590	0.1
65.03922	0.1
67.01859	0.1
68.99792	0.4
69.03421	0.8
70.06570	0.2
71.01336	0.5
71.04978	0.3
72.08141	0.2
73.02908	0.9
79.05480	0.1
81.03418	0.3
83.01347	0.1
85.02897	5.6
86.09718	0.1
95.01315	0.4
97.02873	0.8
99.00799	0.3
99.04469	0.2
101.02348	0.1
103.03972	0.2
105.03386	0.1
107.04926	0.2
109.02860	0.4
111.00804	0.5
111.04421	0.2
113.02361	1.0
114.67290	0.1
121.02849	2.0
127.03921	0.7
129.05464	0.3
131.03371	0.9
133.02831	0.5
133.04942	0.1
135.04431	0.2
137.02327	0.6
141.01813	0.9
145.04932	1.1
145.06000	0.1
145.06548	0.1
147.04384	0.4
147.06567	0.2
153.01811	2.9
157.06436	0.4
159.02873	0.4
163.03893	0.2
165.01823	1.6
171.04280	0.1
175.80356	0.1
177.05530	0.1
183.02879	0.8
185.05923	0.3
197.06059	0.1
211.17331	0.1
213.05423	0.9
231.06522	0.7
241.04964	0.6
248.85991	0.1
258.05246	0.8
259.05969	0.3
269.04364	0.2
271.05887	0.2
286.04584	0.3
287.05463	100.0
288.05795	3.2
299.05588	0.1
301.07062	0.4
303.04611	0.1
329.06528	0.3
433.11212	3.3
463.08456	0.6
595.16199	0.3
694.37909	0.1
745.29706	0.1
771.23840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2331
Annotation	kaempferide triglycoside
Peak:m/z	Relative Intensity
55.01868	0.3
55.05476	0.1
57.03435	1.0
61.02913	0.7
62.49577	0.1
69.03421	2.0
69.13805	0.1
69.14136	1.0
70.06564	0.3
71.01353	0.2
71.04984	2.7
73.02876	0.5
75.04425	0.2
81.03405	0.9
83.04939	0.6
85.02892	10.4
87.04420	0.3
91.03918	0.3
97.02342	0.2
97.02879	2.0
99.04399	0.4
105.94482	0.1
109.02870	0.8
111.04404	0.5
115.03872	0.2
117.03314	0.3
119.76767	0.1
127.03915	1.5
129.05432	1.2
130.78496	0.1
133.04916	0.5
135.04454	0.1
136.17896	0.2
145.02792	0.5
145.04932	2.1
147.06461	0.4
149.05952	0.4
153.01733	0.7
163.03876	0.2
163.05986	0.3
171.02910	0.2
175.03833	0.2
177.05423	0.9
185.02637	0.1
187.03915	0.1
229.04863	0.3
241.30424	0.1
258.05194	6.9
271.06018	0.3
286.04663	28.9
287.05121	1.2
301.07007	100.0
302.07336	3.2
302.10648	0.3
307.84058	0.1
447.13211	0.2
463.12271	27.9
464.12552	1.1
609.18085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33329	0.8
69.33730	1.5
75.04124	0.4
79.74318	0.4
84.64172	0.4
87.46687	0.4
88.82060	0.4
98.23483	0.6
134.16644	0.5
149.41209	0.6
178.56256	0.5
185.04083	0.4
203.05214	0.8
219.10144	2.5
225.25053	0.4
309.54175	0.4
349.10547	1.1
351.11951	0.6
363.12054	1.5
364.12625	2.5
365.13705	1.7
379.11450	0.9
381.12860	2.2
393.12994	0.7
394.14029	2.0
395.14813	1.5
441.15332	0.9
519.24945	0.6
545.19910	0.9
555.18115	1.0
557.21063	0.5
559.17664	1.0
573.19269	2.4
574.20325	1.2
591.22095	0.8
624.14923	0.5
672.73804	0.5
771.28223	100.0
772.28241	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	771.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67663	0.3
69.72175	0.7
69.72514	0.8
73.19580	0.3
76.00392	0.4
79.05482	0.3
120.45840	0.4
124.09548	0.4
143.66954	0.4
155.03146	1.2
201.57111	0.4
205.15303	0.4
235.75247	0.4
301.08896	4.5
319.54404	0.3
382.24237	0.4
417.20840	0.5
431.18341	0.6
446.33875	0.4
447.22586	0.4
459.22455	0.7
487.21451	1.2
529.22784	0.5
534.63696	0.4
561.24841	7.6
581.37830	0.9
621.26978	10.0
625.36920	2.9
771.42731	100.0
772.43042	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	771.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05507	9.4
55.68703	1.0
57.03424	3.5
57.07052	1.5
57.29065	0.9
58.25093	1.0
58.36699	1.0
61.02919	11.8
67.05495	16.3
69.03429	6.4
69.07056	7.0
69.11234	6.8
71.01353	1.4
71.05002	1.9
73.02908	7.3
78.44591	0.9
78.99345	1.0
79.05478	10.9
81.03403	3.7
81.07048	13.4
83.05000	1.1
83.08608	3.7
85.02885	11.5
91.03939	4.8
91.05474	10.5
93.07030	13.4
95.04962	2.4
95.08595	12.8
97.02882	8.7
97.06535	1.5
97.10168	3.3
97.96912	1.1
99.04410	1.6
99.68105	1.1
101.02349	1.6
102.32991	1.1
105.07010	11.1
107.04944	1.5
107.08574	8.1
109.10158	6.2
117.07000	6.3
119.08572	11.6
121.10121	4.4
123.11643	2.3
127.03931	2.0
129.06990	6.7
129.64497	1.1
131.08540	9.5
133.10106	7.3
135.11678	2.9
137.50211	1.1
141.06990	3.9
142.07790	2.5
143.08545	9.5
145.10109	11.4
147.11681	4.0
149.13237	1.6
153.06973	2.2
155.08533	8.6
156.09268	1.5
157.10083	9.8
159.11705	7.2
161.13245	3.8
163.11069	1.2
167.08528	4.7
169.10110	10.0
171.11691	8.3
173.13216	3.9
175.14792	1.2
179.08517	1.5
181.10132	5.5
183.11685	8.0
185.13176	5.4
187.14821	2.0
193.10089	1.8
195.11667	5.4
196.12431	1.0
197.13245	6.8
199.14809	3.7
207.11714	3.5
209.13234	4.5
211.14897	5.3
213.16444	2.8
221.13272	2.1
223.14836	3.8
225.16391	3.5
235.14815	1.9
237.16399	1.6
239.17908	1.4
249.16243	1.1
251.17744	1.3
263.18027	1.2
265.19748	1.4
289.16016	1.0
321.21872	1.6
323.23679	1.1
351.27094	2.1
379.29974	1.6
446.20108	1.2
461.22583	3.1
495.34122	1.2
507.38806	1.1
515.36682	1.2
517.40405	5.7
527.37061	1.3
539.37085	1.6
541.38922	1.7
573.42853	1.5
591.25928	1.3
591.43939	5.9
592.26215	3.0
593.27179	1.3
607.44202	1.4
609.45044	100.0
610.45502	9.0
611.46295	1.1
620.15277	1.4
621.45331	1.3
717.45532	1.3
735.47748	1.2
753.48468	2.4
771.50452	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42197	0.5
73.26852	0.4
78.61163	0.4
89.78716	0.4
113.90512	0.5
120.08062	1.0
121.53329	0.5
132.07974	0.5
138.05432	0.5
158.09662	0.6
194.08244	0.5
195.08949	0.5
197.10628	0.5
209.10677	1.3
210.11449	1.8
211.12218	0.8
221.10680	1.2
222.11464	1.1
223.08575	0.9
223.12257	2.4
224.13020	0.7
225.10190	0.6
225.13835	4.7
226.14499	1.2
234.11446	0.5
235.08563	0.7
235.12259	1.3
237.10223	1.0
237.13795	3.3
238.14516	0.8
239.15367	0.7
247.12199	0.6
248.09488	0.9
249.10071	2.5
249.13821	1.8
250.10991	0.7
251.11569	0.7
262.14716	0.6
263.08194	0.6
263.11832	0.5
265.13132	0.5
275.08322	0.6
277.09717	0.8
293.09064	0.5
295.10980	0.6
310.45914	0.5
323.13849	0.5
325.12082	0.6
326.13068	0.8
337.11795	1.8
338.12741	1.2
342.15979	0.6
351.13599	0.6
352.14526	1.2
354.15915	0.8
366.15997	1.5
394.15421	0.8
395.12601	0.6
396.13309	1.3
401.17596	1.0
402.18335	1.0
403.19150	1.4
415.15274	1.2
416.16077	1.8
417.16327	1.0
417.20724	1.7
426.18390	0.7
429.17142	2.4
430.17905	1.1
431.18457	2.7
431.22745	1.6
432.19095	0.8
443.18597	1.9
444.19345	1.9
445.20169	3.7
446.20920	3.7
447.21619	2.8
454.17587	1.6
457.16376	1.5
458.21228	0.7
459.22263	4.3
460.22049	0.7
471.17853	1.2
472.18723	1.4
473.18661	0.8
473.23993	0.8
474.19595	0.8
475.21283	2.2
487.21420	9.1
488.21732	1.4
489.22574	0.7
501.23071	3.2
502.19727	0.8
503.20416	1.0
515.20721	2.1
517.22504	0.7
518.23456	1.4
519.24036	3.2
529.22266	3.7
530.16028	0.5
533.25433	5.6
534.22510	1.1
546.22595	0.9
547.23242	1.9
561.24878	71.1
562.25342	5.1
589.24384	4.8
607.18616	0.5
621.26941	100.0
622.27222	9.5
672.80609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54346	1.5
65.23273	1.7
69.03421	1.8
70.06564	3.0
71.44430	1.6
72.39447	1.6
76.08755	1.6
91.05463	8.1
93.07034	2.0
94.04163	2.6
95.04984	2.4
103.05463	4.8
105.07021	4.4
107.04942	4.5
115.05412	3.6
117.07056	2.6
119.04924	6.5
121.10098	1.5
122.03646	6.9
127.03834	2.1
129.06978	1.9
131.04939	9.2
133.06445	2.0
135.04445	3.6
135.08031	5.8
137.05952	100.0
138.06348	1.6
144.05782	2.6
145.02852	2.8
145.06490	4.1
147.04399	4.8
149.06003	3.8
151.03899	5.2
151.07512	18.7
153.05479	2.4
161.05968	12.8
161.09518	1.6
163.03908	3.6
163.07538	14.7
167.07048	3.8
174.06729	1.9
175.07549	13.7
177.05482	5.5
177.09143	2.1
187.07581	3.6
188.08177	1.7
189.09103	6.4
191.06956	1.6
194.08441	1.9
201.05515	1.8
203.06987	3.8
203.10617	2.1
205.06554	2.4
207.10065	3.0
219.08159	1.8
225.09062	3.0
233.05956	1.8
233.09747	2.4
234.06615	3.2
237.08986	7.7
238.06293	1.6
247.66489	2.0
249.09084	3.5
253.08553	2.6
255.10236	1.7
265.08612	9.4
271.05975	4.8
275.10532	1.6
277.08563	11.3
279.10181	2.5
283.09628	2.7
285.11127	4.8
287.12747	4.3
293.11667	2.4
295.09628	2.2
297.11197	19.2
299.09357	2.0
299.12640	2.7
303.45599	1.6
309.11185	10.1
311.12769	5.6
321.11270	2.2
327.12146	8.3
341.13892	2.0
351.15894	5.2
473.19418	2.0
493.22134	2.4
641.27771	1.9
772.27429	5.8
773.27368	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	772.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	11.0
55.05507	22.2
57.03424	11.6
59.04982	2.4
61.02908	6.3
65.03933	3.8
67.05498	74.0
69.03416	2.7
69.07061	18.9
69.11096	6.2
69.11501	10.8
71.01357	3.8
71.04966	5.3
79.05035	4.5
79.05479	62.1
81.03403	24.9
81.07047	67.8
83.01360	3.7
83.04964	17.4
83.08595	10.5
85.02885	12.1
85.06524	4.2
91.05463	36.6
91.13251	2.8
93.07035	69.4
95.04956	19.0
95.08591	50.9
97.02873	11.2
97.06509	10.2
97.10136	4.2
105.07014	22.4
107.04938	19.6
107.08582	34.1
109.06497	6.6
109.10143	17.8
111.04434	22.8
111.08065	6.6
117.07015	15.4
119.08549	22.4
121.06470	7.7
121.10132	25.0
123.04398	3.0
123.11646	4.5
125.05958	6.3
125.09628	3.5
129.06956	5.5
130.07784	4.6
131.08551	15.7
133.10101	8.4
135.07962	3.5
135.11694	22.9
143.08548	4.7
145.10124	23.8
147.08041	4.6
147.11711	4.2
149.09547	3.1
149.13213	5.5
151.11176	2.8
153.12732	7.7
155.08580	3.4
159.11676	5.3
163.11171	30.9
163.14789	4.8
171.54115	3.2
173.09605	8.8
181.12155	5.6
191.10703	6.3
191.64819	2.9
209.11621	13.7
216.67308	2.9
223.13222	17.3
227.12779	8.0
241.14351	30.3
243.21117	2.8
261.22110	7.6
265.14252	5.9
283.15372	18.9
299.23749	4.1
315.17950	46.8
317.24622	3.8
335.25751	100.0
336.26184	7.1
451.13550	2.8
455.00259	2.9
499.89713	2.7
525.35992	13.3
543.36804	62.0
544.36597	4.8
575.39380	89.8
576.39825	6.5
610.45282	10.5
721.71576	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	772.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.1
55.05505	27.1
57.03435	19.0
57.70996	2.9
59.04999	4.9
61.02919	4.6
65.03934	5.9
67.05156	4.6
67.05491	67.6
69.03436	3.0
69.07061	18.7
71.04980	8.8
79.05482	53.1
81.03404	31.3
81.06559	4.2
81.07043	59.2
83.04967	15.7
83.08611	13.8
85.02888	10.8
85.06536	6.5
91.05468	34.0
93.07034	56.3
95.04942	17.2
95.08593	42.2
97.02860	10.1
97.06512	12.7
97.10165	6.9
97.75540	2.8
99.04438	3.1
105.07025	21.8
105.51392	2.9
107.04937	13.7
107.08582	30.9
109.06504	12.8
109.10157	18.5
111.04414	35.3
111.08109	3.6
113.05972	5.2
117.06991	16.9
119.08587	22.5
121.06470	6.1
121.10145	34.0
123.08042	10.6
123.11664	3.6
125.05978	8.0
125.09573	4.1
129.06972	7.2
130.07738	2.8
131.08542	18.9
133.10115	10.0
135.08015	3.8
135.11658	28.9
143.08554	3.0
145.06421	3.2
145.10110	32.3
147.11655	4.8
149.13345	3.5
153.12714	10.7
155.08505	6.3
157.10074	3.8
159.11665	5.9
161.13196	4.8
162.01274	3.2
163.11168	36.1
166.55850	2.9
173.09604	10.9
173.13193	4.6
181.12239	6.3
185.13240	3.6
187.14618	3.0
191.10670	9.8
209.11682	21.4
209.94885	3.0
223.13263	31.7
227.12720	14.1
241.14308	62.9
243.21037	6.0
261.22064	11.7
265.14328	7.0
267.15881	3.3
283.15332	27.0
299.23746	5.6
315.17993	69.9
316.18201	3.6
335.25766	100.0
415.30508	3.1
433.30615	4.3
451.31982	6.0
469.33026	4.9
525.35760	20.0
543.36768	92.4
544.36835	6.8
575.39429	70.0
576.39447	5.4
591.25684	3.7
610.45123	8.4
652.30341	3.1
772.50525	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	773.191
Annotation	Kaempferol 3-caffeylsophoroside
Peak:m/z	Relative Intensity
63.02346	0.2
65.73476	0.1
67.01859	0.6
68.99791	0.5
69.03065	0.2
69.03414	3.4
71.04959	0.1
79.05468	0.5
81.03398	0.3
85.02879	0.4
89.03889	2.4
95.04903	0.1
97.02873	2.6
98.03207	0.5
99.04419	0.2
107.04932	0.8
109.02846	0.3
111.04403	0.2
116.92791	0.1
117.03354	3.0
121.02834	0.2
127.03869	1.7
129.01814	0.2
133.62750	0.1
135.04388	8.3
137.02299	1.0
138.08931	0.1
141.62247	0.2
145.02820	5.5
146.05977	0.8
146.07997	0.1
147.06288	0.3
149.02325	0.1
151.03847	0.2
153.01796	6.3
161.02274	1.1
163.03865	50.4
164.04192	0.8
171.02837	1.1
177.05452	0.2
179.03343	0.5
181.04866	0.7
185.05980	0.1
191.03426	0.1
201.05460	0.2
208.05904	0.2
213.05449	0.2
217.04884	0.3
218.05579	0.2
219.06470	0.4
231.06242	0.2
241.04897	0.9
245.04431	0.4
247.05939	0.2
259.06036	0.2
263.05392	0.2
269.04364	0.4
287.05426	100.0
288.05746	2.9
299.05801	0.1
303.04855	1.1
307.04819	0.2
307.08081	3.1
325.09113	4.9
326.09497	0.2
449.10822	1.4
536.51202	0.1
738.30920	0.1
773.26154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2124
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01847	0.3
57.03431	1.4
59.52859	0.1
61.02894	0.3
68.99745	0.4
69.03414	1.0
69.83760	0.4
71.04985	7.4
73.02884	0.3
75.04438	0.3
81.03371	0.5
83.04945	0.3
85.02892	10.9
87.04414	0.4
91.03906	0.2
93.65726	0.2
95.04945	0.3
96.37552	0.2
97.02879	0.9
99.04348	0.2
109.02827	0.5
111.00780	0.7
111.04397	0.4
121.02856	0.9
127.03899	0.7
129.04597	0.2
129.05464	2.1
137.01422	0.2
137.02321	2.4
142.52025	0.2
145.04913	0.5
145.06340	0.2
147.06468	0.7
149.02296	0.4
153.01811	2.6
161.05989	0.2
163.03822	0.4
165.01834	1.6
173.05989	0.2
179.03467	0.1
183.02907	0.7
184.83240	0.1
187.03897	0.3
192.91382	0.2
201.05316	0.8
229.04906	3.1
247.05983	0.7
257.04361	2.0
274.04712	0.7
275.05405	0.3
285.03970	1.0
287.05487	0.5
288.05933	0.2
303.04935	100.0
304.05283	2.7
315.04874	0.2
345.05856	0.4
447.09128	0.3
449.10620	0.2
465.10226	20.5
466.10574	0.7
562.60181	0.2
627.14777	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	773.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98053	0.8
56.96558	1.4
69.94878	2.7
82.99860	1.4
84.96026	1.0
93.58137	0.9
94.43948	0.9
97.02884	1.7
97.32300	0.8
98.97556	6.3
101.00874	1.9
110.97570	2.8
116.98595	2.7
119.01913	2.0
120.34980	1.0
128.98590	2.0
131.01933	2.3
134.99603	1.0
143.01871	10.9
145.03450	4.7
147.01370	2.1
152.05688	3.3
155.01884	7.9
157.03459	3.4
158.99637	3.3
160.83759	1.2
161.01509	1.3
161.02939	13.5
167.01802	2.2
169.03456	3.3
170.99614	2.2
171.04996	1.3
173.02950	19.0
175.04471	1.1
177.00690	2.5
179.01953	2.0
183.05081	1.1
185.02878	6.8
187.04478	2.2
189.00696	3.3
189.02289	1.9
191.03885	1.6
193.03465	1.5
194.99767	1.1
197.02879	7.7
199.04514	3.1
201.00781	1.4
203.03990	15.6
207.01721	1.0
209.02911	1.7
211.04430	5.6
213.00693	3.3
215.03996	8.3
219.01752	5.4
221.03134	1.5
221.05045	10.8
223.04489	2.4
227.03975	4.7
229.05553	2.6
233.02904	3.1
233.05150	0.9
237.02708	5.6
239.03975	7.5
241.05717	1.2
245.05035	42.9
245.17947	0.9
246.05255	1.3
249.04655	2.3
251.03995	6.9
257.05084	5.4
259.06604	3.0
261.02737	1.5
263.06287	5.1
271.06564	11.3
279.03918	2.6
281.05151	2.8
286.50616	1.0
289.07675	5.6
299.06076	52.4
300.06256	2.2
305.07178	4.4
313.07581	5.3
315.03964	1.3
317.07126	42.8
318.07428	1.6
331.08630	2.7
333.05008	5.0
334.04999	1.1
335.08261	8.5
351.06030	3.3
359.08170	100.0
360.08401	4.5
365.09167	1.7
377.09293	6.0
381.06799	1.1
383.10220	3.1
389.04535	1.2
389.09259	13.4
390.09161	1.0
394.35526	1.2
401.14029	1.3
405.07510	1.0
419.10281	32.4
420.10635	1.6
447.08145	2.6
479.12402	17.0
488.58075	1.1
495.09961	2.7
611.16156	3.3
653.17871	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58340	0.9
71.44065	1.1
78.52918	1.0
79.05479	1.2
91.90630	0.9
100.04077	1.1
125.14502	0.9
137.32587	1.1
148.42415	1.1
212.86761	1.2
335.25851	1.5
374.16006	1.2
399.16141	1.3
400.17273	1.6
401.17435	2.4
413.17847	2.4
414.18304	3.6
415.19202	7.7
416.19620	1.2
418.19504	1.0
428.20026	1.9
429.21313	5.7
430.21451	2.2
442.18069	1.6
443.18619	3.8
444.18573	5.1
445.19470	1.6
457.20648	5.1
458.20786	3.6
466.18158	1.4
471.22519	4.8
472.22849	2.4
473.19531	2.4
485.19370	1.8
486.20319	4.4
487.20825	2.5
494.16788	1.3
495.17841	2.5
499.21231	7.8
500.21851	1.3
503.24326	2.8
516.21313	1.6
517.21838	1.1
522.16364	3.7
527.20575	1.7
531.23883	7.2
532.24152	1.4
541.18347	1.8
543.23621	1.1
559.23346	53.8
560.23401	3.9
581.20868	6.0
587.22754	6.2
598.24255	1.3
619.25421	34.9
620.25641	2.6
641.23590	100.0
642.24066	7.3
658.26208	1.1
684.27460	2.8
729.29669	3.4
739.41632	1.1
773.15204	1.8
773.28827	28.3
774.29297	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	773.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40504	3.3
54.89709	3.0
55.05506	20.4
55.20002	3.6
57.03421	10.2
60.27054	3.2
61.02915	12.9
67.05496	63.1
69.03420	8.5
69.07058	14.1
70.84623	3.0
71.04955	3.6
71.08637	3.3
71.10721	5.7
73.02908	6.5
79.05479	52.7
81.07043	56.7
83.08592	9.0
85.02901	11.2
91.03920	4.9
91.05467	49.1
91.52892	2.9
93.07027	48.9
95.04964	11.5
95.08582	41.1
97.02880	7.2
105.04498	4.8
105.07008	47.9
107.08565	29.0
109.10099	17.8
117.07008	20.5
119.08562	38.6
121.10143	21.7
123.11711	6.1
129.07011	9.9
130.09114	3.0
131.08522	24.1
133.10097	29.1
135.11705	14.3
141.06944	3.2
143.08485	15.8
145.10126	26.2
147.11638	27.8
149.13237	14.5
155.08585	6.0
157.10095	9.3
159.11674	24.6
161.13226	24.5
163.14894	6.4
165.20659	3.3
169.10085	5.8
171.11676	16.0
173.13263	11.7
175.11218	3.8
175.14798	10.5
185.13260	13.8
187.14844	6.1
195.11720	3.3
197.13129	6.4
199.14810	10.3
211.14668	4.9
213.16473	4.6
239.17940	6.1
241.19508	23.1
257.18939	8.8
259.20514	47.2
259.22842	5.0
261.22092	9.0
277.21429	4.7
301.21506	5.7
315.23199	7.8
331.22745	4.0
333.24213	40.1
335.25735	83.3
336.26251	5.5
367.22650	5.8
449.34488	4.6
503.37741	4.4
519.41876	5.7
593.45209	10.5
609.44849	5.4
611.46643	100.0
612.46570	7.1
701.47528	7.7
719.48431	4.1
755.49939	6.4
773.51007	11.7
794.59863	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	774.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
70.99516	0.3
71.38709	0.4
78.04713	0.7
79.05486	3.9
82.18717	0.4
85.90558	0.3
91.05452	0.7
95.04938	0.6
98.22700	0.9
103.05470	4.2
104.06239	1.3
105.07023	37.8
115.05439	6.8
118.04176	2.1
126.70084	0.4
131.04910	1.5
132.05701	1.8
133.06482	36.7
134.06850	0.8
143.04965	0.9
143.06041	3.5
149.05971	0.7
155.07077	0.8
160.05186	0.9
161.05966	38.2
162.06383	0.7
167.07014	2.0
178.06259	2.4
193.08588	100.0
194.08972	2.3
205.08522	0.4
243.21011	0.5
253.10687	15.4
302.67728	0.5
505.20334	1.6
648.95605	0.5
744.51257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.3
55.05499	22.1
57.03428	21.3
65.03932	3.1
65.95271	2.1
67.05492	60.8
69.07062	17.1
69.42978	9.4
69.43298	2.3
71.04990	4.1
73.60748	1.8
74.83200	2.1
79.05480	50.3
81.03407	98.6
81.07045	62.7
83.04990	9.5
83.08607	26.4
85.06524	2.4
90.89638	2.0
91.05462	31.8
93.07037	47.5
95.04950	32.9
95.08590	42.6
97.02886	3.1
97.06530	6.0
97.10165	8.3
98.23473	3.9
101.23722	2.1
105.07013	29.7
107.04960	7.2
107.08572	22.7
109.06512	4.7
109.10152	23.1
111.08081	6.0
117.06974	9.9
119.08566	23.3
121.06508	4.3
121.10131	20.2
123.08070	4.0
123.11709	5.1
125.09650	4.6
129.06999	6.6
131.08554	25.2
131.29309	1.9
132.07697	2.1
133.06514	3.2
133.10115	9.9
133.11082	2.0
135.08049	1.9
135.11714	12.0
137.09645	2.6
137.13277	3.7
142.07811	2.3
143.08554	3.1
145.10109	10.3
147.08034	3.8
147.11642	17.2
149.09586	3.9
149.13248	9.3
157.10085	12.4
159.11702	9.0
161.13191	5.2
163.11166	3.2
163.14873	3.0
171.11691	2.5
173.13258	7.5
175.11177	10.0
175.14816	2.9
184.07361	5.5
185.13301	4.1
187.14912	3.5
189.11208	2.9
193.12244	18.5
201.16280	2.1
227.12747	8.8
241.34984	2.4
243.21082	4.3
249.14893	3.8
261.22141	16.4
267.15866	100.0
268.16208	5.7
301.14346	2.3
301.25198	5.3
309.16992	2.4
317.24506	2.6
335.25748	76.5
336.26065	4.3
352.72055	2.1
404.14764	2.1
421.25812	2.5
435.32599	5.2
453.33478	6.3
471.34586	5.2
527.37238	61.9
528.37524	5.6
545.38318	44.6
546.38464	4.1
559.39996	2.5
569.38013	2.4
599.54175	2.4
727.73138	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.4
55.05508	23.4
57.03434	18.9
57.07067	3.2
65.03926	2.4
67.05499	69.3
69.03418	3.3
69.07064	14.1
70.06327	3.2
70.06660	1.7
71.04980	4.1
79.05484	46.7
81.03409	87.6
81.07047	65.8
83.04982	5.7
83.08613	21.0
85.02907	1.9
91.05471	36.1
93.07032	52.2
93.59701	1.4
95.04960	29.3
95.05520	2.5
95.08596	43.5
97.02896	2.4
97.06544	4.8
97.10169	8.1
105.04502	2.9
105.07010	25.6
107.04952	6.3
107.08591	27.7
109.06525	5.4
109.10137	20.7
111.08047	7.9
116.13946	1.5
117.07020	8.4
119.08574	23.2
121.06521	4.1
121.10136	26.5
123.08041	3.5
123.11695	6.5
124.73959	1.4
125.09622	4.3
128.06284	1.6
129.06981	9.3
131.08539	20.5
133.06487	3.3
133.10114	15.8
135.11694	14.1
137.09633	3.2
137.13239	3.0
142.07759	2.8
143.08551	3.1
145.10071	10.2
147.08064	3.4
147.11673	13.8
149.09628	4.6
149.13205	8.5
155.08620	1.7
157.10083	12.2
159.11699	6.7
161.13260	4.9
163.11127	4.0
163.14825	3.2
173.09639	1.4
173.13251	7.8
175.11169	8.0
175.14815	2.7
185.13191	2.0
187.14795	4.0
189.11212	4.4
193.12231	25.3
195.13811	1.6
199.10959	1.5
211.13222	1.7
227.12709	8.6
233.22427	1.5
235.13322	2.1
243.21078	6.4
249.14864	2.0
259.20532	1.7
261.22137	18.5
267.15869	100.0
268.16360	2.2
279.23065	1.5
299.23853	1.7
301.14484	1.8
301.25150	7.8
309.17020	2.6
317.24777	5.1
335.25778	89.2
336.26016	3.4
341.24817	1.6
421.26138	2.1
435.32660	4.1
453.33566	9.0
471.34869	7.7
527.37268	62.0
528.37421	4.4
545.38312	46.5
546.38409	4.2
559.39722	2.9
569.38361	5.2
634.82617	1.7
635.27728	1.5
635.38501	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66632	0.9
69.58038	3.0
79.05462	1.0
79.19285	0.9
83.04188	0.9
87.21758	0.8
89.81923	1.0
91.43020	0.8
104.58663	1.1
104.71393	0.8
116.54571	0.9
122.03674	1.0
131.05009	1.2
132.43300	0.8
137.05962	10.8
151.03938	2.6
153.05518	1.5
161.06050	1.6
163.07600	1.1
167.07089	2.5
175.03651	32.7
181.04988	3.9
188.04489	1.7
191.07115	2.5
202.06161	0.9
215.34148	0.7
219.06406	1.0
263.09241	1.1
268.87289	0.8
325.10361	1.3
349.10721	1.1
357.13342	0.9
382.14066	1.3
385.12543	4.5
387.14386	1.8
395.14566	4.8
399.14096	5.5
484.30933	0.9
549.19617	2.7
567.84595	0.9
775.29218	100.0
776.29565	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	775.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	25.5
67.05485	2.8
69.61624	3.2
69.62010	3.0
72.15131	1.3
79.05489	2.6
81.07053	2.1
84.96014	4.3
91.05482	2.8
93.07068	1.7
95.08586	2.3
98.22754	1.5
98.97570	65.3
105.06996	2.7
110.97536	16.2
112.99111	15.7
116.98602	31.7
119.08582	2.2
124.99110	3.9
128.98589	20.5
131.00160	31.4
133.10104	1.8
134.51227	1.3
134.99646	8.0
139.67882	1.2
140.98605	2.9
143.00134	16.4
146.99631	9.6
149.01199	35.2
152.98569	2.6
155.00217	1.9
158.99641	30.0
161.01170	13.1
167.02231	7.3
170.99617	31.6
172.02826	1.7
173.01207	9.0
177.00694	29.6
179.02284	1.3
182.99680	2.9
185.01274	6.5
189.00677	35.7
191.02269	9.2
194.99660	3.5
195.01714	2.8
197.01291	1.5
199.02722	6.7
200.02373	2.4
201.00726	8.7
203.02226	8.3
207.01811	4.2
209.01109	2.1
212.02313	2.4
213.00734	5.0
215.02222	2.8
216.93745	1.6
217.03741	6.4
219.01724	22.1
227.02217	3.7
231.01746	3.4
233.03288	3.8
237.02826	10.4
260.04214	1.5
261.02734	21.6
275.04337	10.6
279.03851	23.0
291.03928	4.6
293.05371	36.7
297.04929	7.8
302.05264	3.2
309.04926	5.4
311.06393	14.3
317.17838	23.2
321.04874	100.0
334.07971	3.1
335.18906	8.7
339.05972	7.4
352.38135	1.4
362.07507	2.8
381.06955	6.0
383.30319	1.5
399.08246	2.3
406.40887	1.6
437.09656	24.6
453.09610	1.7
455.10675	50.6
539.25159	7.9
553.26764	12.1
715.32031	50.2
716.31494	3.9
775.38867	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	775.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	1.8
56.96555	28.4
65.39499	1.3
67.05493	2.8
69.07051	1.5
71.95259	1.3
75.83604	1.1
76.06151	1.5
79.05473	2.3
81.07037	2.4
84.95998	4.0
91.05464	1.9
93.06998	2.0
95.08596	1.5
98.97567	68.7
100.99129	1.8
105.06998	1.8
105.08765	1.4
107.08569	2.4
110.97549	16.8
112.86417	1.5
112.99110	17.5
116.98602	35.1
119.08503	1.6
124.99094	3.2
128.98590	24.3
131.00156	35.9
134.99646	8.7
140.00153	1.8
140.98576	3.9
143.00153	16.7
144.98029	1.7
146.99637	12.9
149.01195	38.2
152.98550	2.2
155.00157	2.4
158.99629	33.4
161.01218	10.9
167.02202	6.9
170.01241	1.7
170.99615	34.7
173.01207	8.3
177.00687	37.4
182.99672	2.3
185.01230	9.6
189.00688	36.2
191.02226	9.3
194.99849	2.3
195.01746	4.0
199.02707	8.3
200.02165	1.8
201.00665	10.6
203.02277	8.9
207.01831	1.5
209.01184	3.3
212.02260	3.4
213.00653	3.9
215.02205	3.0
217.03752	6.4
219.01758	20.8
226.03888	1.4
227.02251	2.0
231.01756	4.8
233.03250	3.7
237.02859	9.5
261.02765	22.6
269.99713	1.4
275.04272	9.3
279.01089	1.7
279.03873	22.9
291.03781	4.4
293.05402	39.6
297.04868	9.7
302.05371	1.9
305.05405	1.6
309.04788	6.5
311.06436	12.2
316.07053	1.8
317.17819	26.5
318.17905	1.8
320.61893	1.4
321.04871	100.0
322.05127	1.8
334.08054	2.7
335.19022	6.7
339.05890	6.2
350.23575	1.7
362.07349	3.3
363.05951	2.5
381.06857	5.2
391.21140	1.7
437.09586	25.8
453.08960	1.5
455.10651	49.3
539.25104	6.1
553.26880	9.6
715.31927	40.7
716.31708	2.2
775.39099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71012	0.6
55.05509	2.5
56.85165	0.7
57.03431	1.9
61.02919	4.4
67.05495	5.2
69.03417	3.2
69.07065	2.2
70.92873	0.7
71.01345	1.3
71.05000	1.3
71.94862	0.7
73.02914	2.3
79.05484	5.7
81.03419	2.6
81.07055	6.2
83.08613	0.8
85.02905	3.9
91.03958	2.0
91.05471	4.5
93.07022	5.3
95.04976	1.3
95.08580	4.1
97.02877	3.9
101.02399	1.3
105.07028	4.0
107.08590	1.9
117.06986	1.3
119.08595	3.1
127.03867	1.0
129.07002	1.2
131.08536	1.2
133.10133	1.2
135.11758	0.8
143.08580	1.3
147.11707	2.2
171.11746	1.6
243.08426	2.8
247.13174	1.2
303.15686	1.6
333.20276	1.1
426.84140	0.8
465.20920	10.5
524.03271	0.7
551.28113	5.5
554.60278	0.8
775.42267	100.0
776.42249	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	776.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
63.14741	0.3
79.05479	4.0
90.04700	0.5
91.05470	0.9
95.04962	1.1
103.05462	4.9
104.06275	1.6
105.07016	38.9
106.07360	0.7
107.04980	0.4
115.05438	8.8
116.05734	0.3
118.04152	2.7
131.04918	1.4
132.05716	1.9
133.06474	37.2
134.06841	0.7
140.04617	0.5
143.04889	0.9
143.06023	3.8
149.05960	1.0
155.06944	0.5
160.05156	0.9
161.05956	36.5
162.06377	0.9
167.07002	2.0
178.06239	2.0
193.08578	100.0
194.08910	2.4
197.08087	0.3
201.54628	0.3
235.09692	0.3
253.10689	14.0
295.11914	0.3
679.49249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.9
55.05501	44.3
57.03424	21.6
57.07059	3.1
59.04980	3.2
61.02915	4.0
64.20562	1.0
65.03925	3.1
67.05493	100.0
69.03411	4.8
69.07056	19.1
70.69857	1.7
71.01339	1.8
71.04977	4.3
77.03909	1.4
79.05479	49.0
80.05807	1.1
80.09388	1.2
81.03407	6.7
81.07041	61.5
83.04966	5.7
83.08603	16.4
83.09098	1.6
85.02882	15.0
85.06533	2.5
87.04443	6.9
91.05466	27.3
92.67741	1.1
93.06441	2.3
93.07030	43.6
95.04956	8.8
95.08588	43.6
95.09201	1.5
97.02885	5.0
97.06517	4.5
97.10152	20.7
103.03931	1.3
105.04499	2.7
105.07011	16.7
107.04986	1.7
107.08579	29.4
108.08890	1.6
109.06501	2.7
109.10131	47.4
110.10468	1.3
111.08074	3.4
117.07015	10.0
119.08551	14.2
121.06522	2.2
121.10116	18.3
123.04369	1.0
123.08039	2.6
123.11714	3.4
125.09618	20.7
129.05403	1.2
129.06987	2.4
130.07803	1.3
131.08521	11.6
133.10106	9.9
135.11650	11.2
137.09590	3.3
138.88217	1.0
139.11151	1.7
142.07779	1.1
142.08910	1.0
143.08545	1.9
143.10643	2.7
145.10072	10.1
147.11656	6.3
149.13249	6.5
155.10648	2.7
157.10072	3.0
159.11641	5.9
161.13232	2.8
163.11185	5.5
163.14807	2.6
173.11716	10.1
173.13225	5.0
175.11116	1.6
185.13264	1.1
187.14746	2.5
189.11165	1.0
193.12149	1.5
199.13239	8.9
199.14746	1.4
201.16360	1.4
209.11671	3.1
217.14241	2.3
227.12744	4.7
229.14296	38.0
243.21085	4.4
245.13744	2.1
259.20370	1.8
261.22104	10.6
267.15887	5.1
283.15509	1.2
289.21613	1.4
301.16400	13.0
315.23230	1.5
317.24695	2.1
319.17545	1.1
335.25742	57.4
336.26065	3.7
363.25095	1.7
389.82394	1.1
477.35721	6.6
489.35709	10.3
543.36133	3.0
561.37524	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	776.5722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.2
55.92999	1.8
57.06811	2.9
57.07066	34.0
62.88391	2.1
66.48715	2.0
69.07053	4.0
69.23421	9.9
69.33453	1.8
71.08620	27.6
72.10858	1.8
73.06541	12.8
85.10160	15.5
87.04474	11.4
89.06023	100.0
91.07650	2.0
98.23464	3.2
99.11770	2.2
107.07089	2.6
117.09135	9.6
121.15226	2.0
131.70122	2.0
133.08589	50.6
161.11754	2.7
169.19547	2.8
169.88669	2.0
177.11182	19.0
179.43736	2.1
213.22021	2.1
221.13890	5.4
257.24725	5.7
301.27338	5.2
366.82602	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	777.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	16.5
62.28907	0.8
64.20560	1.0
74.97649	1.0
84.96017	13.2
86.04560	0.9
98.23412	3.1
98.97566	49.7
102.97046	1.8
110.97547	22.1
110.98280	1.2
112.99098	2.5
116.98608	27.8
124.99142	1.2
126.97073	1.2
128.98587	29.1
131.00188	2.4
134.99623	6.6
140.98607	2.2
143.00169	3.9
144.98042	2.3
146.05951	1.1
146.99615	13.2
147.00699	1.3
149.01207	1.5
158.99683	4.8
161.01233	2.7
162.99167	2.4
165.00639	1.2
170.99588	4.9
177.00714	3.8
178.01836	1.3
189.00725	4.8
195.03763	1.1
196.02882	1.2
196.50131	1.2
201.00798	2.8
203.99664	14.3
204.01431	1.5
208.02776	1.8
208.49930	1.1
218.01286	2.9
218.98503	1.4
219.01732	28.9
220.02800	5.5
222.00684	29.4
224.02301	1.6
231.99203	7.1
234.04417	3.6
236.02322	7.6
236.99382	1.8
237.02774	51.1
238.03728	4.3
240.01767	3.5
244.02766	1.6
246.00662	20.5
248.02252	3.6
250.00168	14.6
252.01712	4.2
252.05341	1.1
254.03418	1.1
255.03879	3.6
258.00681	11.8
260.02087	1.1
260.04553	1.1
262.03876	8.0
264.01761	51.0
265.02151	1.7
266.03333	3.8
268.01337	2.1
272.02161	2.8
276.01736	13.1
276.04547	1.4
278.03372	1.6
280.04715	2.1
282.02811	15.8
286.03781	1.2
288.01794	14.2
290.03378	2.5
292.01184	2.6
294.02917	2.6
300.01718	3.7
304.04840	2.1
306.02817	22.1
315.27597	1.1
318.02795	1.1
324.03970	5.3
330.03012	1.3
348.03799	18.4
364.06995	4.1
366.04889	100.0
367.05261	3.6
378.04871	4.7
384.05945	14.9
389.06384	2.0
390.13831	0.9
408.06027	57.7
408.56213	1.4
409.06525	2.5
426.06992	89.9
427.07321	2.2
449.08688	2.0
468.08411	1.8
535.09991	3.0
547.46063	1.0
593.11511	1.9
618.48938	1.1
657.12231	43.6
658.12360	3.0
699.13617	7.7
717.02136	1.8
717.14380	29.2
718.14679	2.4
759.14880	4.1
777.16290	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	777.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35235	0.5
62.40408	0.4
69.72034	1.8
73.06528	0.5
84.08134	0.6
97.02923	0.5
111.04221	0.8
137.05974	0.5
137.09657	0.9
144.04541	0.5
159.04150	43.2
175.03642	14.8
177.05174	0.6
204.07619	1.3
214.88687	0.5
220.07149	1.3
237.50336	0.5
257.13806	1.0
271.06128	1.6
356.12286	1.4
369.12781	0.5
374.62674	0.5
384.15466	1.5
397.16196	10.5
399.14209	0.7
404.75879	0.5
411.17841	1.3
413.15579	2.4
427.17480	1.4
428.18295	0.6
429.15262	0.7
565.20416	2.7
580.22681	1.7
581.23932	0.9
722.58270	0.5
734.51526	0.5
777.30786	100.0
778.31000	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	777.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	32.6
61.54924	1.8
63.16624	1.6
68.96587	1.6
70.06581	7.0
84.96036	5.6
98.97570	68.5
100.99108	2.5
106.75613	1.9
107.75674	1.9
110.97534	15.5
112.99116	16.3
116.98609	31.1
124.99081	2.0
128.98599	23.3
131.00159	36.1
131.01062	2.8
134.99635	10.7
140.98610	5.0
143.00142	14.5
146.99632	9.8
149.01199	39.3
152.98567	2.9
158.99631	31.8
161.01186	12.4
167.02211	9.3
170.99611	36.6
173.01201	9.9
177.00679	39.4
182.99666	2.1
185.01250	9.1
187.02702	3.0
189.00687	37.5
191.02310	10.8
194.99715	2.4
195.01759	4.2
199.02791	6.9
200.02322	2.0
201.00705	10.4
203.02264	10.1
209.01283	2.7
212.02283	3.3
213.00656	7.4
215.02322	4.1
217.03862	8.9
219.01756	23.7
227.02406	2.4
231.01732	5.6
233.03288	3.4
237.02785	10.6
261.02814	23.0
275.04401	7.3
279.03873	26.9
291.03998	4.5
293.05399	44.3
297.04929	8.8
302.05423	3.2
309.04922	6.4
311.06467	15.6
315.03491	2.7
319.19403	13.0
321.04880	100.0
322.05231	2.6
334.08035	3.6
337.20532	14.7
339.05927	5.8
362.07797	2.9
366.59509	2.4
380.61304	1.9
381.06970	8.3
393.23047	2.2
437.09616	21.4
455.10757	38.7
477.08694	3.9
527.15143	2.1
537.32007	2.3
541.26917	6.4
555.28253	10.3
701.36481	3.4
717.33691	45.7
739.29694	3.0
777.41107	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	777.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
57.03425	1.6
61.02917	2.8
67.05519	3.1
69.03425	2.7
69.07082	0.9
70.57281	1.5
73.02920	2.9
79.05479	3.3
81.03410	2.4
81.07053	4.0
85.02902	4.1
91.03946	2.3
91.05476	2.8
93.07020	3.0
95.04939	0.8
95.08598	2.7
97.02879	4.1
101.02375	2.3
105.07056	1.0
107.04966	0.9
107.08573	1.5
109.10181	0.9
111.04443	1.3
117.07033	1.0
119.08637	1.3
121.10150	2.0
127.03917	1.1
135.11719	1.4
145.10139	1.9
159.26956	0.7
163.11235	2.1
223.13435	0.9
243.08482	2.9
262.85898	0.7
281.13632	4.5
499.21310	8.4
519.29022	4.0
601.29669	0.7
619.82312	0.7
719.43237	1.6
777.43817	100.0
778.44275	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
57.03425	1.6
61.02917	2.8
67.05519	3.1
69.03425	2.7
69.07082	0.9
70.57281	1.5
73.02920	2.9
79.05479	3.3
81.03410	2.4
81.07053	4.0
85.02902	4.1
91.03946	2.3
91.05476	2.8
93.07020	3.0
95.04939	0.8
95.08598	2.7
97.02879	4.1
101.02375	2.3
105.07056	1.0
107.04966	0.9
107.08573	1.5
109.10181	0.9
111.04443	1.3
117.07033	1.0
119.08637	1.3
121.10150	2.0
127.03917	1.1
135.11719	1.4
145.10139	1.9
159.26956	0.7
163.11235	2.1
223.13435	0.9
243.08482	2.9
262.85898	0.7
281.13632	4.5
499.21310	8.4
519.29022	4.0
601.29669	0.7
619.82312	0.7
719.43237	1.6
777.43817	100.0
778.44275	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03122	0.8
57.03400	1.1
59.37003	0.8
61.02915	1.2
67.05486	3.0
69.72015	2.7
70.06580	10.3
71.06917	1.0
73.02907	1.4
78.49144	0.9
79.05464	1.7
81.07040	1.3
83.89830	0.8
85.02901	0.8
86.09669	0.9
91.03939	0.8
91.05472	1.1
93.07024	2.0
95.08562	1.4
105.07022	1.3
107.08560	1.1
109.06487	0.8
147.47824	0.8
175.30988	0.9
184.07321	1.9
219.81096	0.9
219.83438	0.9
247.58873	0.9
312.40765	0.8
335.25659	0.8
519.29236	1.0
526.53284	0.9
541.87677	0.9
548.95789	0.8
721.92352	1.0
772.79144	1.0
779.39661	100.0
780.40295	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	779.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05498	1.2
57.03427	2.0
61.02917	6.1
61.03209	0.7
61.38126	0.4
67.05495	5.7
69.03420	3.4
69.07051	0.6
69.75024	1.6
71.04979	1.4
73.02912	3.8
78.24491	0.5
79.05482	5.0
81.03413	4.1
81.07043	4.9
83.08573	0.9
85.02898	6.0
91.03952	4.2
91.05468	3.3
91.56481	0.4
93.07020	3.6
95.03168	0.4
95.04955	1.1
95.08585	3.8
97.02874	4.6
97.10129	0.5
99.04446	1.0
101.02332	2.1
103.03931	0.4
103.88899	0.5
105.07027	1.9
107.08581	1.5
109.06525	0.8
109.10171	1.6
111.08101	0.5
117.07011	0.8
119.08612	1.1
121.10088	2.7
125.39345	0.4
127.03919	1.8
129.07030	0.6
131.08551	1.4
133.10136	1.3
135.11714	0.8
145.10152	0.6
147.11736	1.2
149.09610	0.9
149.13295	0.4
157.10120	0.6
175.11234	0.7
185.04327	1.2
193.12259	1.0
203.05301	0.7
225.14981	0.5
240.62772	0.5
243.08333	2.5
267.15964	0.6
283.15176	5.4
317.17975	1.1
335.26331	0.5
339.17694	0.7
391.21249	0.5
449.43225	0.5
470.15082	0.5
501.22986	9.3
519.29266	9.2
520.29742	0.6
635.12445	0.5
670.26160	0.5
779.45361	100.0
780.45685	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	779.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
57.03425	2.0
59.04995	0.6
59.38004	0.4
61.02925	5.5
67.05497	4.9
69.03421	3.5
69.07056	1.0
69.32587	1.7
71.01343	0.4
71.04984	0.7
73.02911	3.6
75.04474	0.4
79.05477	3.7
81.03419	3.9
81.07043	4.6
83.04990	0.7
83.08597	0.8
85.02899	4.7
85.03364	0.6
86.09722	0.7
87.04487	1.0
91.03951	3.3
91.05479	3.0
93.07023	3.5
95.04993	1.6
95.08593	2.6
97.02883	3.9
97.06564	0.6
99.04475	0.6
99.08102	0.4
101.02389	1.6
101.85367	0.4
103.03970	0.5
105.07030	2.1
107.08590	2.3
107.46791	0.4
109.02898	0.8
109.10173	1.1
111.08048	0.6
119.08602	1.8
121.10127	2.7
123.46461	0.5
127.03938	1.3
129.07043	0.5
131.08551	1.9
133.10190	0.9
135.11642	0.5
145.04990	0.6
147.11710	1.6
149.09663	1.7
157.10167	0.8
173.13286	0.5
175.11252	0.9
184.07417	1.0
185.04306	0.7
193.12337	0.8
197.15524	0.5
225.14897	0.5
234.66287	0.4
243.08389	2.8
283.15198	4.7
287.15637	0.4
335.26111	0.6
339.17743	0.8
501.23013	11.9
502.23538	0.6
519.29175	5.6
520.29675	0.5
617.39417	0.5
713.40344	0.5
760.70294	0.4
779.45398	100.0
780.45593	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	780.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.14461	0.9
62.50231	1.2
62.88602	1.1
65.03933	20.6
66.07504	1.0
67.05498	3.6
68.96195	0.9
69.03417	1.5
69.09367	6.4
71.04964	1.0
79.84994	1.0
81.03408	1.2
82.04208	2.6
85.02895	2.8
91.05460	2.6
93.03392	8.6
95.01314	2.6
95.04981	2.7
96.12359	1.0
97.06544	1.9
98.23499	2.0
105.04530	1.5
105.07028	1.5
107.04939	2.9
108.02098	1.9
110.03641	17.8
111.04438	25.2
115.05460	2.1
121.02854	17.8
121.03836	1.5
122.03681	1.5
125.05975	22.2
131.04915	2.7
133.06516	1.8
134.03517	1.0
135.04424	1.6
137.05936	8.3
138.03140	1.8
145.06549	1.5
149.05949	1.4
151.03889	2.5
151.07516	2.1
153.05452	100.0
154.05768	1.8
159.08095	3.7
161.05998	4.2
162.06749	1.7
165.06897	1.8
167.07037	5.1
167.08411	1.4
175.07553	2.4
178.07779	1.1
179.08542	1.2
181.04996	2.0
181.06555	1.6
187.07587	2.5
190.07738	1.8
191.08606	2.8
194.07228	2.2
195.08043	3.8
197.09605	1.5
205.06575	1.6
207.08064	3.7
208.08789	1.9
209.09593	2.3
210.06743	2.5
211.07512	1.7
216.07780	2.6
218.07379	1.9
219.08015	4.6
220.08728	2.2
221.06053	2.3
222.06746	1.3
223.07549	3.7
223.11224	1.0
224.08330	1.8
225.09138	4.0
226.06265	3.7
234.06879	1.7
235.07481	2.9
236.08304	3.7
237.09137	3.3
238.06264	1.7
239.06934	6.8
239.10713	3.1
240.07845	1.4
247.07481	2.4
247.09683	16.0
248.08200	1.7
249.05626	1.1
249.09035	3.0
251.07008	2.4
251.10760	4.1
252.07735	1.7
253.08560	16.1
254.09247	5.3
255.10213	1.1
261.09192	1.4
263.07043	2.3
264.07828	3.2
265.08600	5.3
266.09485	1.8
267.10135	4.3
269.11667	6.4
275.06845	1.5
277.08530	2.2
279.10135	4.5
281.08002	2.1
281.11636	1.1
282.08820	3.8
283.09650	2.8
289.08444	1.7
292.07312	1.5
293.08084	1.3
294.08795	2.1
295.09668	3.4
296.10495	1.1
297.11194	12.1
307.09573	5.2
309.07828	1.8
309.11255	4.6
310.11844	2.4
311.09253	1.7
311.12579	1.7
313.10693	2.0
321.11200	4.0
325.10672	62.9
326.11288	4.1
327.12213	10.0
329.13947	2.1
337.10718	2.4
339.12241	12.6
340.12973	4.1
341.13708	2.6
355.11774	2.4
357.13278	76.7
358.13635	4.0
369.13229	7.9
387.14365	2.8
676.01044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.4
65.03929	20.9
67.05489	3.1
68.22616	1.1
69.07072	10.0
72.35422	1.0
74.26334	1.1
77.03919	2.1
79.05466	3.9
81.07024	1.6
82.04186	2.8
85.02888	3.7
91.05470	13.5
93.03395	10.4
94.04169	1.4
95.01331	2.4
95.04927	6.3
97.06519	1.9
103.05452	4.6
105.04527	1.7
105.07016	4.6
106.04169	2.4
107.04942	6.5
108.02099	1.5
109.06532	1.4
110.03642	20.7
111.04433	28.6
111.50233	1.2
112.31406	1.2
115.05454	4.5
116.34803	1.4
117.07007	2.0
119.04923	8.5
119.42666	1.2
121.02856	17.3
121.03724	2.0
121.04008	1.6
121.06496	3.7
122.03625	2.2
123.04446	2.8
125.05968	25.6
129.07011	1.3
131.04903	6.8
133.06470	4.3
137.05962	22.4
138.03127	2.9
141.05409	1.2
144.05670	1.3
145.06462	4.3
147.04395	5.3
147.08040	3.0
149.05940	4.6
150.06726	1.5
151.03903	5.7
151.07512	6.2
153.05443	90.6
159.08005	7.3
160.05180	2.1
161.05946	12.9
162.06766	3.7
163.03917	2.2
163.07460	3.0
165.05521	2.2
165.07019	2.7
167.07019	42.4
173.05885	1.6
175.07491	11.2
177.05472	2.6
178.07782	1.9
179.07033	7.1
179.08359	3.1
181.04907	6.1
181.06371	2.0
182.42809	1.2
185.05856	1.7
187.07510	5.5
190.07767	2.2
191.07007	12.5
191.08600	4.9
193.06555	1.4
193.08597	2.9
195.07988	3.5
198.06598	1.6
199.07532	3.3
202.07832	1.3
203.06912	2.3
203.08606	1.9
204.07809	1.7
205.06447	3.7
206.07288	2.3
207.07997	3.8
208.08798	3.1
209.07959	2.7
209.09758	1.5
210.06750	2.3
211.07594	2.8
215.07004	2.0
216.07808	3.5
217.06656	1.8
218.07211	4.2
219.08060	8.2
220.08873	3.4
221.05943	2.9
221.09637	1.5
222.06717	2.5
223.07506	4.5
225.09084	5.5
226.06281	2.6
226.10004	1.2
231.08090	2.0
233.05922	2.6
233.09636	1.5
234.06696	2.3
235.07472	7.7
236.08232	8.1
237.09003	4.4
238.09789	1.7
239.07056	5.8
239.10791	2.1
246.06712	2.4
247.07407	4.6
247.09686	11.3
248.08282	2.6
249.05479	1.4
249.09204	3.4
250.06190	2.0
250.09886	2.1
251.07175	3.5
251.10635	6.9
252.07822	1.6
253.08536	16.2
254.09265	5.4
255.10114	1.9
261.09009	2.9
263.07095	4.1
264.07767	4.9
265.08578	5.8
266.09317	2.4
267.10089	4.5
268.96082	1.4
269.11670	5.1
270.08725	1.5
275.06952	2.5
276.07593	2.3
277.08536	4.5
278.09308	4.3
279.07141	1.6
279.09900	7.2
280.10672	1.9
281.08078	2.8
281.11560	1.5
282.08813	3.6
283.09674	3.6
285.11353	1.3
289.08603	1.5
291.10071	4.5
292.07199	3.5
293.07990	2.4
294.08847	2.5
295.09528	6.4
295.12625	1.3
297.11136	11.3
298.11841	2.1
299.12735	1.5
306.08426	1.8
307.09543	10.6
308.10193	2.3
309.11227	8.1
310.11792	2.1
311.09369	1.7
311.12497	5.8
313.10580	3.7
319.09503	2.0
321.11230	6.5
322.12076	2.0
323.08926	2.0
324.09894	2.0
325.10629	55.2
325.14404	3.3
326.11255	2.6
327.12207	12.9
327.92142	1.3
329.13815	5.2
337.10675	14.6
338.11023	1.8
339.12207	32.1
340.12851	1.9
341.13672	6.7
351.12378	3.0
353.13705	8.1
355.11423	1.4
357.13269	100.0
358.13599	4.1
369.13260	32.4
370.13437	1.8
371.14902	2.0
387.14215	7.1
487.17511	2.5
499.16861	1.6
600.94586	1.4
690.62750	1.5
768.55841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
56.61303	1.2
59.66863	1.4
65.03941	22.8
67.05492	3.5
68.28719	1.2
77.52723	1.3
79.05491	1.7
82.04203	3.3
85.02908	1.5
91.05459	1.8
93.03408	9.0
95.01322	2.3
95.04957	3.8
97.06503	1.5
98.22594	2.9
107.04935	2.5
108.02078	2.5
110.03649	19.2
111.04430	26.0
115.05432	1.7
121.02866	19.5
125.05982	26.4
131.04932	1.7
133.06458	1.8
137.05978	8.2
138.03069	1.5
145.06459	1.8
147.04344	2.5
151.03870	2.1
151.07536	1.6
153.05457	100.0
159.08054	4.2
161.06015	3.5
165.06985	2.3
167.07014	8.3
167.08282	1.5
175.07463	1.5
177.05515	2.2
178.29120	1.6
185.05997	1.6
187.07475	2.0
191.07045	2.2
191.08624	2.6
194.07272	1.7
195.08003	2.2
197.09613	1.6
202.07758	1.5
204.07741	2.1
207.08072	4.0
208.08842	2.9
211.07492	2.8
216.07806	1.6
217.08392	2.0
218.07278	2.5
219.08070	4.7
220.08873	2.5
221.05934	2.0
223.05228	1.1
223.07501	5.1
224.08147	3.2
225.09055	3.0
226.06233	4.8
234.06720	1.6
235.07539	1.6
236.08174	2.0
237.09056	2.6
239.07054	6.1
239.10573	4.0
247.07445	1.9
247.09631	15.1
248.08170	1.8
249.09177	2.7
251.06944	2.0
251.10690	4.0
252.07846	2.6
253.08617	16.9
254.09389	5.0
264.07715	3.1
265.08539	4.0
266.09366	1.6
267.10178	3.7
269.11789	7.4
275.06848	1.7
277.08621	2.5
279.10123	1.6
282.08878	3.4
283.09625	2.7
290.09369	1.5
293.07993	1.7
294.08673	2.6
295.09680	3.5
297.11224	11.3
299.09079	1.7
299.12741	2.4
307.09634	5.3
308.10321	2.4
309.11234	4.5
310.12039	2.1
311.09192	1.5
321.11316	3.3
322.11945	2.0
325.10660	59.0
325.14484	3.5
326.11145	3.4
327.12158	9.0
329.13776	1.7
337.10663	2.3
339.12238	12.9
341.13800	4.0
355.11823	2.1
357.13287	78.3
358.13464	1.9
369.13190	6.8
387.14612	2.4
735.17633	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
61.13354	0.9
62.30489	0.9
65.76148	0.7
67.05493	3.1
69.03412	2.6
70.06583	4.9
70.61768	0.8
71.04985	1.1
72.08118	1.1
81.03407	1.3
81.07059	1.4
84.08125	3.0
85.02892	3.7
93.07058	1.7
94.06565	0.9
95.04960	1.2
97.02871	2.6
100.11215	0.9
101.49310	0.9
103.05457	1.0
105.07014	1.2
108.08096	3.3
109.10151	3.7
110.09653	1.1
111.04424	0.9
119.08605	1.0
120.08092	2.3
122.09714	1.2
127.03897	1.2
129.10269	0.9
136.07559	25.5
137.06003	1.7
137.09601	3.6
148.07561	2.4
152.07079	1.4
155.24016	1.0
160.03955	1.8
163.03888	2.6
163.07513	1.0
164.07027	9.5
165.09105	2.2
166.08627	2.7
169.08804	0.8
178.04965	2.2
199.08568	1.9
201.06610	2.1
213.06578	5.1
213.10143	2.3
224.09634	1.2
225.13573	1.1
227.08180	1.3
229.09688	2.4
231.07582	1.9
239.12572	1.0
240.12770	1.6
241.09697	3.4
241.13269	1.1
253.13387	1.5
255.11378	1.9
257.09192	1.7
265.09537	1.4
268.09528	0.9
269.09155	6.1
273.15833	3.8
275.10068	1.0
281.12848	3.5
283.10739	6.6
299.13925	5.3
303.13321	2.5
311.10184	29.5
329.11264	100.0
330.11520	3.2
363.60648	1.0
422.21167	1.3
438.20340	5.9
450.19983	2.4
583.25403	2.3
601.26495	18.9
602.26538	1.2
763.30878	3.0
764.32153	1.0
781.24829	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	781.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31594	0.7
61.02917	1.4
63.62912	0.7
67.05500	1.7
69.03432	0.8
69.12393	4.5
69.12800	1.4
70.06591	1.7
73.02912	1.7
79.05491	1.6
81.03397	0.9
81.07058	1.9
83.08596	0.7
85.02924	1.9
91.05477	1.2
93.07001	1.2
97.02896	1.8
98.23435	1.6
104.10742	2.1
104.11403	0.7
109.10161	0.9
121.10127	1.2
126.04877	0.7
135.07903	1.0
243.08493	1.3
319.32001	0.9
485.19769	1.0
519.28845	1.8
527.58539	0.8
705.40192	0.7
763.42047	1.4
781.41656	100.0
782.41803	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
57.03423	2.5
58.96251	0.7
61.02919	7.7
67.05496	5.6
69.03429	4.5
69.07056	1.0
69.57684	2.4
70.06585	4.3
71.01350	1.0
71.06896	1.0
73.02897	3.8
76.55111	0.6
79.05475	6.1
81.03410	2.0
81.07050	5.8
83.04988	0.7
85.02889	6.8
91.03964	3.4
91.05482	2.7
93.07024	6.1
95.04957	1.8
95.08598	4.2
97.02879	5.6
97.06529	0.9
101.02399	2.2
105.07050	1.9
106.48466	0.6
107.08596	2.6
109.02866	1.6
109.10146	2.2
119.08556	1.2
121.10143	2.5
122.79684	0.7
123.11681	0.8
127.03929	2.4
127.75925	0.7
131.08566	1.6
133.10130	0.8
135.11658	1.5
145.10175	1.2
184.07404	1.3
185.04309	1.3
215.42555	0.6
243.08408	2.4
246.67075	0.6
267.12085	1.0
285.13092	2.2
335.25766	1.1
439.19485	0.7
485.19919	2.3
490.02951	0.7
503.21786	1.6
519.29205	7.9
763.42151	6.8
781.43237	100.0
782.43701	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	781.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
57.03438	2.0
61.02918	5.8
67.05495	9.4
67.22296	0.5
67.70741	0.5
69.03416	3.1
69.07080	1.0
69.30625	2.3
71.04971	0.5
73.02914	4.0
79.05497	2.2
81.03416	2.1
81.07059	3.5
85.02897	6.3
91.03938	3.8
91.05484	1.5
93.07020	3.3
95.04897	0.7
95.08608	2.5
97.02843	4.1
98.23471	1.0
98.37923	0.5
99.04444	0.8
100.69200	0.5
101.02404	1.7
103.03921	0.6
104.58374	0.6
105.07005	0.6
107.08597	0.8
107.25382	0.5
109.02872	0.8
109.10143	6.8
119.08587	1.3
121.10155	1.4
127.03934	1.5
129.28331	0.6
133.10074	0.7
137.09621	0.5
145.05009	0.7
173.11766	2.0
184.07338	1.2
185.04187	0.9
194.89511	0.5
195.09912	1.2
229.14362	1.5
243.08278	3.3
335.25757	0.8
407.93466	0.6
413.17783	11.8
468.40033	0.6
519.29120	5.8
626.68182	0.7
691.40161	100.0
692.40540	10.1
735.42560	0.9
763.42194	1.0
780.24744	0.6
781.42322	16.7
782.42444	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.2
57.03431	2.4
58.25245	0.5
61.02915	7.4
67.05493	7.1
67.39072	0.5
69.03413	4.3
69.07063	1.4
70.57785	1.0
70.58108	0.6
71.04967	1.1
73.02907	4.1
79.05507	3.0
81.03411	2.4
81.07050	4.5
83.08627	0.6
85.02895	6.6
91.03936	4.2
91.05475	2.7
93.07034	3.4
95.04991	0.6
95.08589	4.0
97.02887	6.1
97.03505	0.7
99.04467	0.8
101.02383	2.3
105.07018	1.1
107.08596	2.3
109.02840	0.6
109.10146	5.4
110.38779	0.5
115.03913	0.8
119.08601	1.8
121.10149	1.5
127.03914	1.8
131.08592	0.6
135.11650	1.1
145.04977	0.7
145.10147	0.8
159.11633	0.5
173.11749	1.8
184.07373	1.0
185.04199	1.2
195.09869	1.3
203.05208	1.1
243.08444	2.2
260.48267	0.6
294.23392	0.6
319.24692	0.5
335.25766	0.9
354.17712	0.6
365.46222	0.5
374.20389	0.6
413.17816	7.7
496.63968	0.6
519.29181	11.3
519.36469	1.0
520.29529	0.8
691.40137	100.0
692.40582	7.2
763.41724	1.2
781.42487	12.5
782.31610	2.3
782.43982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.4
55.05500	1.5
57.03394	1.4
61.02919	5.7
67.05497	5.9
68.82779	0.3
69.03413	2.4
69.07024	1.1
69.64338	1.0
69.64719	0.7
70.06551	0.5
71.01331	0.3
71.04960	0.8
73.02914	3.4
73.10979	0.3
79.05480	2.1
81.03368	1.1
81.07048	3.6
83.08576	0.4
85.02893	4.8
87.04417	0.5
91.03943	3.5
91.05437	1.3
93.06506	0.3
93.07036	2.4
94.63475	0.3
95.04937	0.5
95.08588	2.1
97.02349	0.3
97.02882	4.9
98.23415	0.6
99.04391	0.6
101.02356	1.5
103.03909	0.4
107.08593	1.9
109.02827	0.9
109.10141	4.8
115.03861	0.4
119.08545	0.7
121.10093	1.4
127.03879	1.5
129.05464	0.3
131.08531	0.7
133.10074	0.6
135.11618	0.4
145.04927	0.5
145.10172	0.5
155.10629	0.4
173.11736	1.5
185.04172	0.9
190.56409	0.4
195.09987	0.5
229.14256	0.6
243.08324	1.6
335.25787	0.6
413.17764	6.7
414.18390	0.3
437.06290	0.3
459.54794	0.4
503.20514	0.4
519.29242	8.4
520.29565	0.5
670.40387	0.4
691.40149	100.0
692.40552	9.0
734.76129	0.4
735.42114	0.6
763.42004	0.8
781.41620	25.9
782.41840	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	781.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	0.8
57.02731	0.6
57.03385	1.7
61.02917	4.9
67.05494	7.8
68.32031	0.6
69.03421	3.0
69.07016	1.3
70.06554	0.7
71.04934	0.8
73.02907	3.8
79.05431	1.8
81.03368	1.0
81.07063	2.7
82.07343	0.5
83.08576	0.9
85.02888	5.0
87.04452	0.6
88.59119	0.5
88.82283	0.5
91.03948	2.9
91.05412	1.8
92.84979	0.5
93.06990	2.3
93.15228	0.5
95.08539	1.5
97.02885	4.7
98.73447	0.5
99.04391	0.7
101.02311	1.6
104.33179	0.5
105.06949	0.6
107.08550	1.3
109.02834	0.7
109.10149	7.0
119.08532	0.8
121.10072	1.0
127.03835	1.3
149.61578	0.5
173.11682	1.8
183.92133	0.5
184.07259	0.5
185.04210	0.8
203.05232	0.6
229.14337	1.2
230.14392	0.5
243.08382	2.4
312.16144	0.5
335.25412	0.6
413.17709	11.0
519.29181	5.7
691.40173	100.0
692.40277	9.9
763.41223	1.0
781.41974	23.1
782.42230	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	781.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.4
55.05500	1.5
57.03394	1.4
61.02919	5.7
67.05497	5.9
68.82779	0.3
69.03413	2.4
69.07024	1.1
69.64338	1.0
69.64719	0.7
70.06551	0.5
71.01331	0.3
71.04960	0.8
73.02914	3.4
73.10979	0.3
79.05480	2.1
81.03368	1.1
81.07048	3.6
83.08576	0.4
85.02893	4.8
87.04417	0.5
91.03943	3.5
91.05437	1.3
93.06506	0.3
93.07036	2.4
94.63475	0.3
95.04937	0.5
95.08588	2.1
97.02349	0.3
97.02882	4.9
98.23415	0.6
99.04391	0.6
101.02356	1.5
103.03909	0.4
107.08593	1.9
109.02827	0.9
109.10141	4.8
115.03861	0.4
119.08545	0.7
121.10093	1.4
127.03879	1.5
129.05464	0.3
131.08531	0.7
133.10074	0.6
135.11618	0.4
145.04927	0.5
145.10172	0.5
155.10629	0.4
173.11736	1.5
185.04172	0.9
190.56409	0.4
195.09987	0.5
229.14256	0.6
243.08324	1.6
335.25787	0.6
413.17764	6.7
414.18390	0.3
437.06290	0.3
459.54794	0.4
503.20514	0.4
519.29242	8.4
520.29565	0.5
670.40387	0.4
691.40149	100.0
692.40552	9.0
734.76129	0.4
735.42114	0.6
763.42004	0.8
781.41620	25.9
782.41840	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	781.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40518	1.2
55.01867	1.9
55.05496	8.2
57.03422	10.5
59.05002	1.3
61.02909	5.2
63.26162	1.1
67.05483	7.6
69.03420	11.0
69.07056	6.3
69.79124	4.0
71.01331	2.4
71.04977	30.5
72.85920	1.1
73.02901	5.3
75.04464	8.4
79.05480	5.7
80.25075	1.1
81.03401	4.1
81.07044	18.7
83.04961	13.7
83.08622	3.5
84.45267	1.2
85.02888	100.0
87.04463	2.3
91.03963	1.7
91.05475	4.9
93.07021	13.1
95.04949	2.4
95.08582	27.4
97.02872	11.5
98.23381	1.7
99.04414	3.7
105.06998	14.8
106.56555	1.4
107.08562	16.1
109.02882	3.8
109.10129	17.6
110.10440	1.7
111.04386	9.2
111.08058	9.8
113.27150	1.5
113.50964	1.4
116.98712	1.2
119.08558	19.4
121.10107	14.8
123.11684	5.3
127.03873	7.1
129.05443	30.1
131.08559	4.5
133.10110	17.9
135.11670	8.5
137.13205	2.0
145.04930	9.2
145.10091	8.8
147.06494	14.0
147.11659	13.6
149.13225	15.3
151.14566	1.3
157.10097	2.0
159.06482	1.7
159.11676	9.6
161.13194	11.5
163.06049	2.8
163.14766	10.0
171.11662	2.1
173.13225	5.5
173.88771	1.6
175.14809	9.2
177.16382	8.8
183.47710	1.1
185.13222	2.4
187.14821	7.3
187.16254	1.5
189.16341	28.0
191.17911	4.6
193.12225	1.4
199.06013	1.5
201.16354	17.4
203.17900	25.6
203.19633	1.1
205.15884	3.2
205.19431	1.3
207.17448	6.5
213.16396	2.9
215.17892	9.0
217.19495	2.8
219.17316	3.3
220.49649	1.3
221.18956	3.0
227.17955	1.9
229.19498	2.5
231.17319	1.6
235.16844	3.0
241.19559	1.6
243.20863	2.1
247.16887	5.4
249.18474	2.4
255.21222	1.9
261.18494	2.5
269.22632	2.2
273.09714	2.6
309.11749	4.4
327.23529	1.4
329.24731	2.3
351.30432	1.5
381.27893	1.8
391.33432	5.7
397.30988	4.7
409.34467	17.8
425.34177	3.6
437.34091	49.5
438.34369	4.1
453.20697	1.8
455.35141	18.6
583.39630	2.7
781.43268	16.5
782.41461	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05495	3.7
57.03430	9.7
59.04998	1.7
59.19545	1.1
62.19782	1.0
62.95106	1.1
67.05515	1.9
69.03419	18.5
69.07064	1.8
70.06599	1.4
71.01334	2.7
71.04984	63.2
73.02920	8.0
75.04467	5.0
79.05468	1.9
81.03399	1.9
81.07062	2.3
83.04966	12.2
85.02896	100.0
87.04499	1.4
91.05506	1.6
93.07047	2.2
95.04977	2.1
95.08599	4.3
97.02882	20.4
97.06490	1.2
99.04440	7.1
103.03888	1.6
105.07022	3.6
107.08583	3.9
109.10118	2.2
111.04435	10.1
115.03925	21.7
117.05480	3.8
119.08584	6.4
121.10146	3.9
127.03925	2.2
129.05458	36.6
131.08557	2.8
133.04944	1.8
133.10121	4.2
135.11659	1.3
139.03891	4.6
143.88771	1.3
145.04912	3.0
145.10110	5.5
146.08112	2.2
147.06497	20.7
147.11658	2.4
149.13277	2.1
150.07574	2.1
157.04929	2.5
157.10098	1.6
159.06494	2.4
159.11696	4.3
161.13264	2.5
163.06049	1.4
163.14891	1.7
164.09158	7.6
165.07655	1.5
171.11668	2.0
173.13239	5.1
174.57657	1.2
175.14784	1.5
177.16351	1.8
185.13181	2.3
187.14804	5.1
189.16353	2.6
199.05978	1.9
199.14824	1.8
201.16321	3.8
203.17937	2.2
205.15793	4.6
213.16414	1.4
221.15326	3.6
225.07527	9.3
243.08665	10.8
261.09604	5.6
279.10736	8.3
312.36484	1.3
313.28949	1.2
340.72974	1.2
405.31372	6.6
423.32742	8.3
441.33414	4.1
451.32068	6.9
453.33630	1.8
469.33066	17.9
471.34653	1.4
487.34155	1.7
597.37799	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	782.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.1
57.03438	4.1
57.07061	3.4
60.97194	0.7
67.05500	10.8
69.03419	2.6
69.07065	15.0
69.59731	3.4
73.02912	8.4
73.13947	0.8
75.76727	0.7
79.05483	6.9
81.07052	28.9
83.08611	7.8
85.02892	3.9
91.05481	4.3
93.07037	18.6
95.01323	2.2
95.04984	1.1
95.08601	52.5
97.02882	8.7
97.10159	5.2
105.07016	11.8
107.08581	30.7
109.10151	34.4
111.11734	1.8
115.03909	5.8
117.07004	1.5
119.08570	24.0
121.09262	1.6
121.10138	32.4
123.11699	18.3
130.88702	0.8
131.08543	4.4
133.04971	2.8
133.10117	19.6
135.11685	24.2
137.13254	11.7
141.01813	7.5
145.10118	9.9
146.10756	1.1
147.11688	14.7
149.13260	27.9
149.14450	1.5
150.28291	0.9
151.14877	0.9
153.09091	2.8
159.02896	2.7
159.11665	5.3
161.13242	8.5
163.14836	8.8
163.21570	0.7
167.10626	0.9
171.11627	1.6
173.13289	6.2
175.14821	6.9
177.16397	7.2
178.56813	0.8
179.10645	2.0
179.17946	2.0
185.13254	1.0
187.14778	4.4
189.16371	30.2
190.16780	1.0
191.10760	0.8
191.17937	49.6
192.18306	1.1
193.19550	1.1
199.14783	0.9
201.16376	39.6
202.16656	1.5
203.17934	36.3
204.18240	1.0
205.04938	0.9
205.19505	34.6
206.20062	0.9
207.17439	2.4
213.16446	2.4
215.17938	17.7
217.15912	0.8
217.19502	10.7
219.17438	1.7
221.15294	1.9
227.18022	1.0
229.19513	2.6
231.17522	1.2
231.21062	3.2
235.16925	7.5
241.19508	1.7
243.21185	5.3
245.22600	4.3
247.16924	27.8
248.17432	1.3
249.18449	5.2
255.21074	2.0
257.22629	3.0
261.18503	11.0
269.22574	2.4
273.05954	1.3
287.20013	2.2
289.21524	2.4
301.21658	1.9
309.08264	0.8
315.22818	1.0
393.35129	15.8
421.34732	0.9
439.35684	100.0
440.35922	5.6
690.31635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25782	0.4
56.05017	0.7
56.67723	0.3
60.08160	8.2
63.62975	0.4
64.48280	0.4
69.26274	2.0
71.07368	6.0
75.57035	0.4
81.07040	0.5
82.53003	0.4
86.09700	39.1
87.10032	0.7
92.52746	0.4
95.08605	0.5
98.23455	0.7
98.98466	5.6
101.87604	0.4
104.10727	2.8
124.99992	29.9
137.90977	0.5
143.01024	0.4
184.07329	100.0
185.07649	0.9
227.08551	0.4
443.93823	0.4
500.20233	0.5
700.87830	0.5
782.56635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2333
Annotation	Kaempferol 3-[2Gal-(4'''-acetylrhamnosyl)-robinobioside]
Peak:m/z	Relative Intensity
55.01862	0.2
55.05504	2.1
57.03443	0.7
59.04985	0.2
61.02914	0.9
62.19181	0.1
67.01856	0.3
68.99796	0.5
69.03419	30.1
70.03753	0.4
71.01343	0.9
71.04981	4.4
73.02924	0.2
81.03405	0.4
83.04969	10.7
84.05297	0.1
85.02890	6.8
87.04457	0.6
95.04953	0.4
97.02885	1.1
99.04456	0.5
101.06015	0.4
105.03456	0.1
107.04955	0.3
109.02874	0.4
111.00793	0.5
111.04426	10.1
111.34715	0.2
111.43809	0.1
112.04794	0.2
113.06032	0.2
121.02840	2.5
127.03880	1.0
127.07552	0.5
129.05458	17.3
130.05785	0.3
133.02838	0.5
137.02348	0.5
145.04956	0.6
145.06497	0.3
145.08568	2.3
147.04384	0.4
147.06519	0.4
153.01801	2.6
153.05412	0.4
157.06561	0.2
165.01799	1.6
171.04399	0.2
171.06525	0.4
183.02887	0.6
185.05959	0.3
189.07547	7.4
197.06042	0.2
213.05438	1.1
221.08115	0.3
231.06528	0.5
239.09210	0.2
241.04951	0.8
255.08754	0.2
258.05127	0.7
259.06033	0.3
287.05444	100.0
288.05795	3.6
299.05664	0.3
299.11246	0.4
311.05432	0.2
317.12457	0.3
329.06461	1.0
353.06479	0.2
379.08023	0.2
397.09012	0.6
433.11252	4.6
434.11722	0.2
449.10684	0.2
475.12097	0.3
595.16400	0.3
597.40100	0.1
746.79297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05503	4.3
57.03436	2.5
58.18811	0.3
59.04998	0.7
61.02918	2.5
66.86084	0.4
67.05480	0.5
68.99790	0.5
69.03414	2.3
69.79199	0.6
69.79570	0.7
70.06578	1.6
71.04983	38.2
73.02923	0.5
75.04468	3.5
81.03386	0.6
83.04968	21.0
84.08151	0.8
85.02894	16.4
86.09683	0.5
87.04455	5.2
95.04962	0.5
97.02892	2.2
97.06451	0.5
98.22769	0.7
99.04440	1.7
101.05962	0.6
107.04954	0.4
109.02852	0.9
111.00796	0.6
111.04429	36.5
112.04751	0.4
113.05990	14.3
115.03924	2.6
116.71765	0.4
116.73687	0.4
117.05473	8.2
121.02845	3.3
127.03899	1.2
128.66640	0.4
129.05460	51.1
130.05786	0.8
131.04897	0.4
135.04352	0.3
137.02345	0.7
137.05963	0.3
145.04921	1.0
147.04398	0.4
153.01830	4.0
153.05452	0.9
161.05885	0.5
163.03926	0.5
165.01805	1.1
171.06505	15.0
183.02907	1.3
187.12506	0.4
189.07550	31.1
210.62946	0.4
213.05420	1.5
231.06442	0.4
241.04820	0.7
258.05212	1.0
259.05945	0.7
286.75977	0.4
287.05453	100.0
288.05750	2.6
294.98050	0.4
299.05490	1.9
329.06641	0.7
397.08789	0.5
427.56888	0.4
433.11319	4.1
459.17624	0.4
475.12637	0.6
723.34686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.452
Annotation	cimifoetiside A
Peak:m/z	Relative Intensity
55.01855	3.1
55.05502	8.2
57.03426	6.6
57.07059	2.3
59.04985	0.8
61.02919	7.6
65.03925	1.4
67.05489	9.8
69.03416	31.0
69.07056	5.5
69.33829	3.4
71.01309	0.8
71.04987	3.3
73.02913	3.9
79.05475	9.3
81.03406	12.8
81.07043	17.8
83.01350	1.0
83.04975	1.1
83.08600	4.4
85.02891	100.0
86.03243	0.8
87.04455	3.1
91.03941	4.0
91.05463	10.1
93.07027	13.9
95.04951	2.9
95.08593	12.6
97.02875	35.4
97.10146	1.9
98.22688	1.2
99.04447	7.0
101.02390	1.3
103.03968	1.4
103.05464	0.9
105.04509	1.1
105.07014	13.7
107.04945	0.8
107.08577	17.0
109.02855	11.5
109.06505	2.9
109.10142	13.3
110.50685	0.6
111.11747	0.7
115.03911	2.3
115.05434	0.7
117.06969	3.2
119.08555	8.0
121.06501	5.6
121.10126	7.9
123.08068	1.5
123.11687	18.0
123.61637	0.7
125.09606	1.1
127.03889	29.7
128.06204	1.3
129.07016	2.5
130.07753	0.7
131.08533	7.9
133.06476	2.1
133.10104	5.9
135.08035	5.3
135.11668	3.7
137.09589	1.3
137.13260	2.0
139.11166	0.9
141.06976	1.6
142.07776	1.1
143.08522	3.9
145.04939	28.2
145.10121	9.6
147.08011	2.7
147.11668	5.8
149.09532	3.1
149.13242	4.7
151.11171	1.4
155.08566	2.0
156.09294	1.3
157.06490	0.9
157.10083	5.3
159.08032	5.8
159.11650	5.5
161.09601	5.5
161.13197	1.8
163.06042	3.6
163.11104	0.9
163.14772	4.9
165.09058	1.4
169.10141	3.4
171.08012	1.3
171.11707	3.1
173.09593	14.4
173.13187	5.0
175.11172	11.0
175.14844	1.1
177.16370	5.6
181.10089	1.5
183.11681	2.1
185.09619	4.1
185.13272	2.5
187.11177	5.3
187.14804	2.1
189.12737	2.5
189.16502	0.7
189.95445	0.7
193.10040	1.1
195.11682	2.8
197.09666	0.6
197.13213	2.8
199.11179	2.9
199.14886	3.0
201.12721	3.6
201.16374	1.1
209.13292	1.5
211.11134	1.5
211.14827	1.0
213.12762	3.8
213.16406	2.2
214.13522	0.8
215.14297	8.6
215.17946	1.0
217.16025	0.8
223.14890	2.1
225.16383	1.0
227.14362	3.0
227.17813	0.9
229.15852	9.3
231.17487	0.9
233.15224	3.0
235.14751	1.3
239.17888	1.2
241.15805	5.3
243.17456	2.5
245.15282	1.5
247.16910	6.8
251.18024	1.0
253.15790	1.0
253.19565	1.3
255.17302	1.1
255.21013	0.7
257.19028	0.8
259.16968	4.2
261.18445	2.1
265.19519	1.8
267.17419	1.8
269.19000	1.1
269.22559	0.9
281.18985	8.5
282.19733	1.5
283.17383	1.3
283.20514	9.1
285.18445	2.5
285.21841	1.3
287.20236	0.7
293.19019	1.9
293.22427	0.8
297.18405	1.9
297.22098	5.9
298.19269	0.7
299.20044	18.2
301.21548	19.9
302.21942	1.2
303.21085	0.9
309.22165	1.1
311.19855	2.4
312.20322	0.7
313.21811	1.2
315.23227	3.8
317.22122	0.8
323.23819	0.8
325.21487	1.1
325.25278	0.7
327.22870	1.1
335.23526	1.3
339.23172	1.6
341.24542	1.3
353.24683	4.9
359.25964	1.2
367.26212	1.3
371.25882	2.5
381.27332	0.8
387.30377	3.5
405.31488	11.7
411.32315	1.4
423.26910	1.4
423.32523	23.8
424.32428	1.3
441.33582	34.7
442.33789	2.1
461.25323	3.1
463.26822	1.6
585.37756	3.4
603.38574	6.7
619.44250	0.7
708.23041	0.8
747.42871	3.2
765.43890	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	784.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94848	0.5
56.05034	0.8
56.84103	0.4
62.17270	0.4
63.06773	0.5
69.07080	0.8
69.16888	3.0
69.92147	0.5
71.08620	1.1
86.09700	100.0
87.10028	1.2
91.05448	0.7
98.09699	1.1
98.66605	0.4
99.66496	0.4
103.05467	0.9
104.10745	1.0
105.07012	1.6
106.11575	0.4
106.87923	0.5
112.11232	6.7
120.08095	39.9
121.08448	0.8
134.22096	0.4
146.09596	2.6
153.28610	0.4
154.15889	18.4
154.17155	0.9
157.13354	11.2
185.12846	14.0
188.14325	7.3
188.30244	0.4
191.11813	0.5
199.18047	15.4
209.16573	0.5
213.31537	0.4
219.11195	1.1
219.99484	0.5
225.19579	7.1
227.17514	13.8
228.17908	0.6
233.16455	15.6
234.16779	0.7
235.18018	0.6
253.19128	6.8
259.18054	2.0
261.15955	14.6
261.18564	0.9
267.24301	8.3
270.69354	0.5
277.22626	1.0
281.51929	0.4
287.17416	3.2
295.23798	5.1
298.21213	8.8
301.22714	6.6
307.24164	0.4
329.22214	4.7
332.19699	5.8
340.25882	2.7
363.17337	0.4
364.72012	0.4
366.27155	2.0
374.24417	4.4
383.30154	1.1
400.25638	3.1
408.32126	0.8
411.29590	4.0
417.28461	1.7
425.34906	0.7
442.30542	2.0
445.28043	4.3
451.36758	0.7
459.33231	1.3
479.35995	1.6
487.32809	2.0
496.38559	1.1
513.34406	4.5
517.43048	0.5
524.37982	3.5
530.36670	2.5
540.35327	0.5
555.39032	1.7
558.36414	9.2
572.41791	0.8
586.35645	0.6
592.44324	1.0
600.40961	1.2
626.42688	6.6
637.46246	1.4
643.45258	4.5
644.45685	0.6
653.43884	0.6
671.44806	14.4
672.45129	0.6
713.48853	0.6
739.50873	3.9
756.53699	6.8
766.52008	2.4
784.52985	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	785.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44749	0.5
69.24953	3.0
77.03937	0.5
79.00559	0.5
85.02911	1.3
90.24268	0.6
94.83173	0.4
97.02881	100.0
98.03224	0.7
98.97167	0.5
108.02068	0.6
135.04367	0.8
137.06013	0.9
146.05989	32.0
147.06274	0.6
151.03889	29.3
151.04959	1.7
160.07611	0.9
163.03857	2.9
170.05998	0.9
174.05502	9.8
181.04945	9.7
184.07549	0.8
188.07042	13.3
191.07054	0.9
192.06535	32.5
193.06876	0.6
212.07059	1.5
213.33313	0.5
216.06589	1.6
219.06534	1.9
234.07523	2.8
235.19870	0.6
247.05994	28.3
248.06395	0.9
251.28653	0.5
258.07642	1.2
265.07047	20.4
283.08078	7.7
354.11774	10.0
636.87952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64532	2.0
91.05465	1.0
94.56234	0.9
98.23438	1.2
137.05991	2.4
146.03448	1.4
159.04065	0.9
165.19151	1.0
175.03693	0.9
177.05325	0.9
189.05183	1.6
219.10353	0.8
226.18896	0.9
227.06856	1.1
245.07959	2.7
249.07361	1.4
262.46426	0.8
279.06342	0.9
294.08600	9.9
295.09445	1.5
325.10413	91.3
326.10870	2.5
329.13873	1.2
361.10571	3.5
365.10190	1.1
366.13254	2.9
377.10211	3.3
379.11755	1.0
380.12357	2.8
381.12909	1.6
392.12112	7.3
395.10989	5.5
409.12732	1.1
410.07776	1.4
410.13275	31.8
411.13965	6.5
483.16193	100.0
484.16586	4.2
607.52399	1.0
785.27655	44.1
786.27362	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.1
66.68240	1.6
67.05495	3.7
69.03422	2.0
71.45949	1.7
72.77685	1.4
73.02914	2.8
76.54742	1.3
77.44691	1.5
79.05509	4.9
79.78008	1.6
81.03408	1.8
81.07045	4.2
85.02905	2.5
91.03956	2.9
91.05483	3.1
93.07026	3.8
95.08590	2.3
97.02892	4.4
101.02374	2.2
105.07030	2.1
109.10106	1.7
119.08583	1.8
121.10156	2.1
135.11679	2.1
258.04492	1.4
491.25974	8.8
535.28217	3.3
785.47913	100.0
786.48053	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	787.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86366	1.4
68.88559	1.4
69.18777	8.4
79.05477	1.6
81.03392	1.7
84.70210	1.3
85.02892	2.3
91.05482	1.8
93.07016	2.0
94.06563	6.5
95.64855	1.4
96.08116	2.4
97.02850	1.4
98.23385	3.7
101.16691	1.3
105.06982	1.6
106.06568	2.0
107.07331	1.7
108.04465	1.4
108.08082	8.3
109.84222	1.3
110.09671	3.9
115.55439	1.3
116.05004	2.0
118.06493	1.8
120.04440	5.6
120.08078	7.0
122.06002	7.6
122.09695	3.2
124.07581	2.2
128.23524	1.7
136.07542	9.9
138.09131	5.3
138.51506	1.5
144.04463	1.7
146.05978	7.9
148.07518	5.4
150.09152	2.4
159.11569	1.5
160.03908	4.0
162.05466	3.4
166.08624	3.4
172.03873	9.5
174.05498	6.0
184.09770	1.8
190.04968	8.8
197.10817	1.5
199.12256	3.4
204.06464	7.0
211.12267	1.8
225.10210	4.7
227.11720	21.4
236.09439	1.6
237.10216	3.6
238.10887	2.5
239.11777	3.1
249.10120	2.9
251.08072	2.1
251.11794	3.1
253.09702	4.1
255.11243	2.8
265.09683	3.3
266.10428	1.9
267.11234	4.2
269.12796	5.2
271.10654	4.8
277.09668	3.0
279.11334	7.5
283.10562	2.3
287.14047	2.3
289.12979	1.7
297.12207	3.4
307.10782	2.1
314.12958	2.8
325.11786	3.1
326.12656	2.1
327.13608	1.7
328.10718	1.6
329.15305	1.9
330.12430	1.7
330.15857	1.7
342.12177	5.2
342.15991	2.0
343.12961	4.9
355.13116	2.3
356.13675	3.4
357.14935	1.9
358.15482	4.7
370.15512	2.8
372.16953	2.1
376.15973	1.4
383.12604	2.5
386.14432	3.1
388.16827	2.1
395.16302	1.9
398.15067	9.2
399.15594	5.4
400.16476	2.9
404.16031	1.9
416.16040	3.1
417.16724	1.7
431.17886	1.6
458.16888	3.4
482.17218	1.6
560.19885	4.9
584.20349	2.0
590.21594	3.3
593.23712	2.3
602.20905	6.2
653.26300	1.6
658.48407	2.9
711.30066	3.5
713.27417	5.3
719.26160	2.8
727.29022	5.0
737.28577	4.0
755.29034	100.0
756.30035	7.3
786.53363	32.8
787.30811	4.7
787.43707	0.9
787.53735	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	787.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49408	1.3
69.55865	3.9
69.56241	2.7
75.89945	1.5
79.05489	1.7
81.03394	1.6
93.07036	2.4
94.06545	4.8
94.23927	1.4
95.07404	1.3
96.08128	1.9
103.25005	1.2
108.04487	2.9
108.08097	7.2
110.09676	3.9
120.04433	2.3
120.08092	7.1
121.45085	1.3
122.06010	4.9
122.09665	2.7
124.07523	2.3
134.06081	1.5
136.07520	6.6
138.09117	5.7
144.04411	2.1
146.05974	8.2
148.07520	4.3
154.70683	1.3
155.32611	1.4
160.03934	2.7
166.08649	6.2
172.03900	6.5
174.05470	3.3
190.04965	6.1
199.12309	1.6
211.08852	1.6
212.09399	2.0
225.10114	6.8
227.11742	9.5
237.10210	2.3
239.11732	1.8
241.42276	1.4
251.08305	1.6
251.11765	1.8
253.09604	3.8
255.11049	1.5
265.09702	3.6
267.11200	2.7
269.12717	2.7
271.10782	3.5
273.12326	2.0
277.09793	1.9
279.11218	6.8
297.12292	3.9
299.13849	1.8
307.10782	2.3
325.11838	2.7
328.10635	2.7
329.15213	1.5
330.12265	2.1
330.15930	2.0
331.16754	1.6
342.12280	5.7
342.16046	2.1
343.12970	4.9
344.14041	1.9
354.15985	2.4
356.13782	3.3
357.14517	1.7
358.15381	4.9
370.15497	3.9
382.11502	2.2
383.14313	5.3
386.14960	3.2
398.14865	7.9
399.15607	5.7
400.16388	3.0
406.08087	1.5
409.12390	1.9
416.15817	3.8
417.16827	1.7
418.17218	2.4
456.92316	1.7
458.17169	1.9
482.17072	1.7
560.19989	5.8
590.20905	2.3
602.21161	4.4
653.24835	1.8
691.26703	2.0
711.29510	5.9
713.27655	5.7
719.26746	1.8
727.28925	4.1
737.27832	5.9
755.29077	100.0
756.29388	9.0
787.29132	32.9
788.28314	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81961	1.0
60.09032	1.1
67.05496	1.9
69.03413	2.3
69.22619	4.7
70.06564	1.3
79.05457	2.1
80.04971	1.6
81.03394	2.3
81.07034	1.2
81.13750	1.1
85.02918	2.2
89.39846	1.2
91.05479	2.1
93.05767	2.0
93.07023	3.3
94.06553	4.9
96.08127	2.7
97.02882	1.5
98.22706	2.3
103.05450	1.9
107.07341	1.7
108.04464	2.3
108.08096	13.1
109.02888	1.1
110.09672	4.2
120.04453	3.2
120.08102	6.7
122.06007	4.1
122.09652	4.1
124.06483	1.0
124.07537	3.7
134.05994	3.8
136.07538	10.6
138.09106	6.7
144.04431	2.3
146.06009	8.1
148.07558	5.6
150.09132	3.1
153.95564	1.1
160.03912	3.4
162.05457	2.5
164.07071	1.3
166.08632	6.1
172.03929	6.6
172.07761	1.7
174.05518	2.8
182.08292	1.1
182.09753	1.3
186.05331	1.1
190.04968	8.7
198.11830	1.1
199.12294	3.5
204.06548	1.6
207.09299	1.3
209.10724	1.5
210.11409	1.5
211.08705	1.5
211.12155	1.4
212.09341	1.8
225.10252	5.9
226.10947	1.3
227.11806	12.2
234.11197	1.2
237.10196	4.3
238.11015	2.2
239.11674	4.0
241.13380	1.7
249.10155	3.4
251.11726	3.6
253.09698	4.8
253.13333	1.4
255.11395	2.5
261.10269	2.1
262.10995	1.6
263.08295	1.7
264.08914	1.9
265.09811	3.0
267.11264	4.4
269.12793	3.9
271.10699	3.1
273.12326	2.3
277.09515	1.7
279.11230	6.5
281.12729	1.6
283.10690	1.5
295.10825	2.0
297.12442	3.8
305.09381	1.2
307.10577	2.4
314.12814	1.6
316.14496	2.1
321.12469	1.1
325.11960	3.3
327.13678	1.5
328.10693	2.5
328.14377	2.3
329.11484	1.3
330.12338	1.8
330.16077	1.5
339.13763	1.9
340.14304	2.0
341.11871	1.5
342.12411	5.3
342.15979	1.9
343.12982	3.7
344.13831	1.9
351.13483	1.2
354.15997	2.7
355.12939	2.7
356.13885	4.4
358.15594	5.1
359.96960	1.4
370.15463	4.5
372.17181	1.4
380.13892	1.5
385.13867	2.4
386.14899	3.1
394.14978	2.4
398.14902	10.8
399.15778	6.1
400.16400	3.6
405.14841	1.2
412.16507	2.5
413.16858	1.5
414.18420	1.5
416.16025	2.2
417.16995	1.5
429.16458	1.9
440.15927	4.2
446.16718	1.9
458.17105	3.0
470.16656	1.5
472.18027	1.4
484.17670	1.3
500.17941	2.0
536.16833	1.2
548.19104	1.3
554.18597	2.8
556.20105	1.8
560.20221	5.3
561.09625	1.2
566.19092	2.5
572.20258	2.3
584.20361	3.3
590.20795	3.4
593.23651	1.9
602.20868	8.6
673.26013	1.8
675.65961	1.2
691.27222	2.6
709.27686	2.5
711.29993	7.2
713.28076	9.2
719.26770	3.9
727.29376	4.2
737.27863	9.6
755.29059	100.0
756.29468	8.9
757.01563	1.5
770.28113	1.4
787.31024	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	787.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	2.3
69.99533	2.5
81.07044	3.5
85.13163	0.9
88.43771	1.1
93.07050	2.1
95.08598	6.0
105.07037	1.3
107.08595	3.1
109.10134	1.7
121.10127	2.2
135.11678	1.7
149.13237	1.5
155.03108	1.6
163.00064	1.7
173.04184	62.2
181.01131	2.0
189.16425	1.8
191.07103	1.8
199.02110	9.0
201.16487	2.6
211.72684	1.1
214.06903	1.2
217.03241	4.8
291.63794	1.1
331.06290	76.0
332.06598	2.1
349.07391	2.5
787.42163	100.0
788.42590	6.9
802.54248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	4.3
71.44769	2.1
79.05490	2.7
81.07050	5.6
86.12439	2.2
91.05473	3.9
93.07033	3.1
98.71522	2.1
117.89591	2.2
145.33017	2.6
225.14134	3.2
237.13762	3.0
238.14680	2.5
241.85300	2.2
299.15189	2.5
351.53711	2.5
455.14960	3.2
457.20181	3.8
483.17938	2.5
485.19156	3.0
499.21335	11.0
500.21872	6.4
513.18988	2.7
517.22101	9.6
527.20782	24.1
528.21277	5.8
543.23779	10.4
545.21802	4.0
555.19867	2.9
559.22760	4.5
573.34351	2.6
577.23370	4.3
587.22827	56.6
588.23047	7.2
605.23810	5.9
619.25458	100.0
620.25415	9.9
637.26404	36.7
638.26917	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	788.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	1.8
56.47593	0.6
57.03402	0.9
61.02891	1.1
63.41367	0.6
67.05501	3.2
69.03368	2.2
69.07018	1.1
69.79094	1.5
69.79459	1.4
73.02892	1.3
79.05474	1.4
81.03382	1.0
81.07024	1.7
83.08559	0.9
85.02848	1.2
91.03918	0.9
91.05457	3.4
92.04995	6.2
92.64246	0.6
93.05753	1.1
93.06988	1.9
95.04904	0.8
95.08557	1.4
97.02856	1.6
101.49901	0.7
102.63762	0.7
105.06970	1.2
106.06485	1.5
111.70387	0.6
117.05692	2.0
118.06522	17.6
119.07266	1.9
119.08471	0.8
120.08041	2.5
130.06485	1.3
132.08005	1.4
134.09581	1.1
146.09578	1.7
162.09120	20.3
163.09866	6.2
164.10622	1.3
176.10645	2.7
190.12198	0.8
202.15904	4.2
230.15364	34.7
248.16316	1.2
262.17950	1.5
267.16049	0.9
292.19012	94.7
293.19357	3.3
299.47180	0.8
304.18973	1.9
322.19995	0.9
332.22144	1.3
348.21738	3.9
368.14325	0.9
410.08551	0.7
510.27048	7.3
541.35199	2.6
626.43805	3.4
648.24146	0.8
788.49286	100.0
789.49213	9.1
821.74554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27818	1.1
62.51508	1.1
67.05500	3.1
79.05497	2.2
81.03419	1.6
81.07075	1.5
82.46496	1.1
83.04955	1.2
85.02880	2.0
88.88490	1.2
91.05495	3.5
92.05019	4.5
106.06573	1.9
117.05797	2.1
118.06535	17.7
120.08170	2.1
130.06544	1.7
132.08087	2.1
148.22348	1.2
162.09122	17.0
163.09854	6.1
176.10782	2.3
202.15967	5.3
215.42615	1.3
230.15375	31.9
248.16452	1.9
262.17911	1.6
292.19040	79.8
293.19373	1.8
304.19070	2.0
348.21658	3.0
510.26993	7.7
541.35468	3.6
626.44330	3.0
688.76630	1.4
788.49323	100.0
789.49469	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	789.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	7.8
58.94292	0.7
65.55292	0.7
66.70027	0.6
69.07616	0.5
69.07848	1.4
69.08258	3.0
70.06445	0.6
80.00464	0.6
84.96014	2.9
88.95459	0.7
98.97568	57.7
110.97547	9.4
112.99120	1.2
116.98602	19.3
118.26833	0.7
124.99103	1.2
127.00703	1.2
128.98589	10.2
131.00133	1.8
134.99605	3.0
140.98534	1.8
143.00127	5.6
145.01721	0.9
146.99661	3.6
152.98531	4.3
155.00113	0.6
158.99626	48.4
161.01176	4.1
167.00139	0.7
170.99622	22.3
173.01221	1.4
177.00691	30.4
185.01193	2.5
189.00687	24.8
194.99649	5.3
195.01489	1.2
201.00658	7.0
203.02184	0.9
207.01750	4.8
213.00688	12.5
215.02251	0.9
219.01733	88.4
220.02179	1.2
225.00650	1.6
231.01782	5.2
237.02780	65.7
238.03249	0.8
243.01724	2.4
249.00603	0.8
249.02896	0.8
255.01707	17.7
255.03946	1.6
257.03290	1.7
260.04300	0.7
261.02713	1.3
267.01721	2.5
273.02875	2.1
279.03824	20.2
285.02728	0.8
293.05392	1.4
300.46188	0.6
305.05344	0.8
315.03821	45.8
321.04926	1.1
329.05453	3.4
331.04669	0.7
333.04861	82.0
334.05273	2.4
347.06500	1.6
351.05927	22.2
352.06107	1.0
356.06943	0.9
375.05923	100.0
376.06277	2.7
393.06979	10.8
405.07034	4.5
435.08020	14.6
436.08133	1.0
444.53076	0.7
453.09113	1.1
461.43027	0.7
481.67291	0.7
489.08813	0.9
495.10269	1.4
513.11115	2.9
609.13446	4.6
627.14380	22.2
628.14374	1.4
669.15308	15.0
670.15051	1.1
729.17120	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07813	2.3
67.05492	2.9
70.06550	4.3
79.05497	4.9
85.02898	2.9
91.05481	5.7
93.05721	2.9
93.07014	5.6
94.06562	14.1
95.04948	2.5
95.07345	3.0
96.08125	8.8
100.10156	2.2
102.51476	2.5
106.06557	4.7
107.07315	3.1
108.08106	25.5
110.09655	11.3
120.04459	3.7
120.08080	22.5
121.01945	2.5
122.06001	23.0
122.09641	9.1
124.07529	6.3
134.05981	3.8
136.07555	35.5
138.09129	20.7
146.05968	5.6
147.07997	2.2
148.07564	19.4
150.09134	10.4
152.07007	12.8
160.07471	3.0
164.07034	10.2
166.08633	24.4
172.03876	8.9
174.05505	4.8
176.07132	5.0
178.08696	2.6
190.04964	8.3
196.09914	2.5
197.10727	4.8
198.11418	3.6
199.12286	2.8
201.32196	2.7
204.06511	8.4
210.11397	3.0
211.12296	8.8
213.10170	4.1
221.10666	3.6
222.11362	3.7
223.12244	3.7
225.10147	8.1
225.13896	5.6
226.10988	7.5
227.11748	11.0
235.12276	3.0
236.09370	3.7
237.10251	13.4
238.10912	11.6
239.11714	32.1
240.12439	7.0
241.13435	3.0
249.10161	13.2
250.10899	7.8
251.11758	38.4
252.12408	10.8
253.09848	3.9
253.13280	10.6
255.11220	8.0
262.11002	2.6
263.11719	25.0
264.08920	4.5
264.12393	8.4
265.09695	13.8
265.13388	16.7
266.10501	6.2
266.14084	8.4
267.11218	29.3
268.11862	3.4
269.12732	5.5
271.14215	3.2
273.12329	2.9
275.11780	3.7
277.09647	7.3
277.13080	3.2
278.10458	8.3
279.11249	41.2
280.11929	6.7
281.12796	13.6
283.10904	2.8
285.12347	19.3
291.11221	14.6
292.11942	6.2
293.12781	13.6
294.13449	3.1
295.10605	5.2
295.14047	3.3
296.11453	5.6
297.12296	27.9
298.12820	3.9
299.13800	12.5
307.10632	9.8
309.12222	7.4
310.12860	4.2
311.10394	3.8
311.13797	31.2
319.10712	10.8
321.12256	11.9
322.12970	4.6
323.10162	9.4
323.13681	4.6
325.11710	8.3
327.13300	5.4
337.11633	5.6
339.13300	8.0
343.12881	2.8
353.14801	3.2
355.12762	3.5
357.14771	2.7
369.14352	4.4
372.17001	7.3
374.18472	4.4
379.12888	2.7
381.14395	4.1
383.15216	3.6
386.18655	4.7
393.14203	4.0
400.16376	5.9
401.16696	3.1
404.19470	2.7
411.15292	13.2
412.16385	4.6
414.18091	3.9
418.21054	3.9
423.15771	3.4
424.16766	3.2
429.16620	11.4
430.17346	5.2
431.17776	3.0
432.19208	4.8
435.15332	4.4
439.14655	6.2
441.16318	9.8
446.20743	5.2
450.20325	3.6
453.16415	9.2
458.16751	3.1
459.17285	6.3
463.14597	5.2
465.16382	4.2
467.14792	3.8
469.15814	2.9
471.17450	16.0
472.18484	3.8
481.15906	16.7
490.18896	3.4
497.39532	2.8
502.19202	2.9
556.20422	3.7
558.22235	2.9
566.24567	3.2
574.21521	4.6
580.22150	6.9
590.24640	6.0
591.21777	4.1
592.22864	7.9
593.23468	38.0
594.24219	35.2
595.25122	4.1
604.22119	4.9
606.24377	37.9
607.24780	3.0
616.22668	4.5
618.24176	9.3
620.22534	24.7
621.22906	19.1
622.23663	15.1
634.23895	95.8
635.24554	17.7
636.24847	9.1
644.03809	2.5
652.24567	5.2
666.26410	68.1
667.27161	14.7
693.29260	4.1
703.27094	2.8
721.28174	6.0
729.31201	6.2
739.29437	23.8
757.30627	100.0
758.30664	10.9
789.27960	4.0
789.40619	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	790.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
57.03431	0.5
64.52152	0.3
66.55634	0.3
68.99770	0.7
69.03403	1.4
70.06551	0.8
70.77094	0.3
71.04990	0.6
71.44086	0.3
79.05466	0.6
81.03397	2.2
83.04966	2.4
84.08138	0.5
85.02888	1.5
89.03902	4.6
91.05471	0.4
97.02883	0.5
99.04400	0.5
107.04939	1.5
109.02857	1.4
111.04401	1.2
111.40427	0.3
117.03359	4.6
119.08684	0.4
121.02853	5.5
127.03889	0.6
129.05486	0.4
131.04906	0.4
133.02802	0.4
135.04402	11.2
137.02345	0.5
137.06001	0.4
145.01685	0.5
145.02823	9.5
145.06488	0.4
147.06491	0.3
154.28690	0.4
161.05968	1.0
163.03879	100.0
164.04230	1.4
165.01816	2.8
173.05959	0.6
179.01849	0.3
181.04907	2.2
183.02826	0.4
187.03867	0.5
189.03256	0.4
201.09146	0.4
213.05417	0.7
229.04987	2.5
231.06412	0.6
241.04944	0.7
257.04410	63.9
258.04739	2.1
259.05969	1.5
271.05942	2.7
283.05811	0.4
285.03897	2.4
287.05420	1.3
299.05447	2.6
301.06964	0.5
303.04947	15.6
307.08157	2.4
309.09738	0.7
325.09201	4.4
327.04810	0.5
345.05975	2.0
349.06818	0.3
351.08481	0.8
369.09543	1.0
386.61371	0.4
387.11301	0.4
395.07523	1.0
413.08612	0.6
421.09146	1.1
431.09381	0.5
435.13208	0.5
791.22290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19303	0.8
61.93301	0.7
65.96926	0.6
66.03461	0.7
69.03423	1.2
69.27808	2.6
79.05482	1.4
80.05036	0.7
81.03420	1.0
82.92876	0.6
85.02898	1.8
91.05460	2.2
92.05002	0.8
93.03383	2.2
93.05772	0.8
93.07043	1.3
94.06556	5.0
95.04939	0.8
95.07337	1.7
96.08124	4.8
97.02868	1.5
97.32650	0.6
105.07043	0.6
106.06551	1.3
107.07334	0.7
108.04469	2.3
108.08122	6.1
109.02872	0.9
110.09673	6.2
116.05003	1.1
117.05733	0.9
118.06504	1.8
120.04438	2.3
120.08086	6.2
122.06020	6.4
122.09640	1.9
124.07577	9.2
127.03841	0.7
134.05974	2.8
135.08063	0.9
136.07550	5.7
137.05920	1.7
138.09119	11.5
144.04594	0.7
146.05984	75.8
147.06357	1.8
148.07547	5.1
150.05450	0.7
150.09117	2.4
152.07042	2.4
154.57359	0.7
159.09227	0.7
161.07166	0.6
162.05444	1.1
163.03836	0.8
163.07571	0.9
164.07053	2.2
166.08612	17.6
167.07072	1.3
172.03860	3.4
175.03781	0.8
176.07062	1.2
177.05432	0.7
182.09634	1.1
183.09082	0.9
184.09901	1.1
190.04970	14.1
195.09142	0.6
197.10701	1.3
198.09280	0.8
199.08606	1.0
199.12286	2.4
209.10735	1.7
210.11404	1.0
211.08649	3.1
211.12155	0.7
212.09410	1.8
213.10123	1.2
215.11674	0.7
223.12212	1.1
224.09259	0.9
225.10144	3.7
226.10902	1.5
227.11763	11.9
228.12169	0.8
229.13350	0.8
236.09410	0.8
237.10118	1.6
238.10925	2.1
239.11720	3.7
241.09692	1.0
241.13324	2.3
243.11148	1.0
249.10252	1.2
251.08125	0.7
251.11763	3.3
252.12512	1.1
253.09756	1.8
253.13319	4.8
255.11284	1.4
257.12787	0.6
264.08905	1.4
265.09604	1.0
267.11310	1.4
269.12814	7.0
270.10095	0.7
271.10757	2.0
271.14395	8.1
273.12234	2.7
279.11209	2.6
281.13000	3.4
281.15491	0.7
283.10681	2.3
284.11475	2.8
285.12329	7.1
286.13132	2.3
287.13876	21.5
288.14209	1.1
289.12857	0.8
295.10895	1.4
296.11899	0.7
297.09195	1.1
297.12302	9.5
298.12549	0.7
299.13861	100.0
300.14331	3.7
301.07068	1.3
301.12119	0.8
307.10895	0.7
309.12201	1.8
311.13873	1.9
312.15067	0.7
314.12927	1.4
315.13654	2.0
316.14572	3.7
317.15280	0.8
318.15961	0.8
321.12186	1.0
323.10321	2.0
325.11719	6.2
328.10828	0.7
328.14456	1.1
329.15292	0.9
330.15936	5.7
331.16696	5.1
339.13187	1.4
342.12283	2.2
342.16202	1.1
343.12845	3.4
344.13766	1.4
344.17447	2.0
346.19073	1.0
356.13983	2.3
357.14758	0.9
358.15396	5.5
359.16452	1.4
370.15750	0.9
371.16733	0.8
372.17133	3.8
373.17990	3.7
378.18130	8.5
382.11823	1.0
384.12946	1.1
386.18759	1.2
390.17999	9.2
398.15015	5.2
399.15683	6.7
402.18124	2.4
412.16882	0.7
414.18124	4.1
415.16245	1.4
416.16156	3.8
417.16599	0.7
420.19058	10.9
428.15918	1.4
430.16888	1.0
432.19147	37.9
433.19604	2.0
440.15958	1.9
446.16901	2.1
458.17053	7.7
461.18961	2.6
462.20074	1.2
487.16849	1.7
525.25348	1.0
534.38739	0.7
567.25623	3.0
568.24457	2.5
569.24084	1.0
585.27039	29.1
586.27100	2.8
593.23846	1.3
611.24908	18.8
612.25043	1.6
730.29218	1.7
747.31909	1.9
773.30688	3.7
791.26245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61070	1.6
69.03423	2.6
69.41805	5.0
81.03439	2.0
81.72400	1.8
85.02888	2.4
86.71861	1.6
91.05464	2.2
93.03382	1.7
93.07061	3.1
94.06587	4.7
95.04957	1.8
96.08127	4.4
98.23472	3.2
101.71031	1.7
105.07013	1.9
108.04478	3.4
108.08128	6.4
110.05322	1.5
110.09685	4.9
113.42655	1.5
118.06564	1.7
120.04457	4.3
120.08102	7.7
122.06062	5.5
124.07587	10.6
133.42110	1.5
134.06038	3.1
136.07576	8.2
137.05933	3.1
138.09102	8.3
144.04466	2.2
146.05986	68.2
147.06401	2.2
148.07547	4.1
150.09172	3.6
152.07079	3.7
164.07156	2.5
166.08620	18.3
167.07076	6.5
172.03954	4.0
181.04959	4.6
190.05000	20.3
199.12288	2.1
210.11548	2.1
211.08670	3.3
225.10248	7.3
227.11754	12.7
251.11842	1.8
253.13353	5.5
269.12891	6.2
271.10800	3.0
271.14398	7.6
273.12445	3.0
279.11072	2.3
281.12830	3.6
283.10779	4.4
284.11554	2.2
285.12296	6.8
286.12778	2.6
287.13861	23.3
297.12238	6.7
299.13870	100.0
300.14130	4.1
307.09805	1.7
315.13675	1.9
316.14185	2.6
321.12109	1.8
323.10321	2.1
325.11414	3.8
328.14493	2.7
330.16238	4.0
331.16788	6.7
339.12921	2.8
343.12946	3.7
356.13962	3.1
358.15311	5.1
372.16919	4.6
373.17606	6.8
378.18063	8.9
385.13608	1.9
386.18536	1.8
390.17865	10.0
398.15015	5.1
399.15692	7.8
402.18259	2.3
405.80215	1.9
414.18060	5.0
416.15643	6.0
420.19055	11.6
432.19141	34.7
433.19684	2.2
458.17126	8.1
461.19141	4.1
487.16992	2.9
567.25787	5.4
569.23663	2.2
585.27026	51.4
586.26923	4.0
611.24786	25.6
747.32129	2.2
773.29541	7.3
784.31989	2.0
791.31842	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.5
57.03430	10.3
57.07071	3.4
61.02911	2.4
65.03928	4.8
67.05492	68.0
69.07058	17.6
70.61977	2.5
79.05482	39.2
79.05938	2.2
81.07045	58.9
83.04962	3.5
83.08598	6.7
85.06498	2.4
91.05463	25.6
93.07029	48.8
93.07603	3.8
95.04947	7.3
95.08591	49.6
97.02893	2.3
97.06477	2.4
97.10149	2.8
99.08097	2.7
104.85960	1.8
105.07019	17.1
107.08572	25.3
109.10139	22.1
115.99174	1.7
117.07005	6.1
119.08540	14.4
121.10127	24.4
123.08039	2.0
123.11697	7.5
131.08540	12.4
133.10103	14.9
135.11665	15.5
137.13252	3.7
145.10095	11.6
147.11681	10.4
147.12692	2.0
149.13219	9.4
159.11691	8.5
161.13249	7.5
163.14784	5.1
171.11627	2.9
173.13205	9.0
175.14783	3.4
185.13193	3.1
187.14792	3.0
243.21173	5.6
259.20566	7.1
261.22055	22.9
263.23721	2.8
317.24854	4.5
333.24091	4.8
335.25735	100.0
336.26129	4.7
337.27203	8.6
351.77536	1.9
541.45825	1.9
595.47339	12.8
596.46838	2.3
613.48102	9.0
753.67029	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	21.5
57.03429	13.9
57.07045	4.5
61.02900	3.4
65.03953	6.1
67.05152	6.5
67.05494	87.7
68.67188	2.9
69.07064	26.2
70.82909	4.0
70.83236	3.6
79.05487	57.6
81.07044	77.3
83.08591	9.8
91.05470	32.6
93.07033	67.4
95.04995	7.3
95.08595	65.1
96.61211	3.0
96.82977	2.9
97.06465	5.1
105.04521	4.1
105.07008	30.3
107.08579	35.3
109.06443	3.6
109.10129	22.7
117.07005	13.8
119.08573	17.5
121.10110	26.2
123.11703	8.7
131.08565	17.3
133.10110	14.5
135.11713	16.0
143.08578	3.7
145.10109	13.7
147.11662	10.2
149.13239	12.8
151.14796	3.9
159.11676	11.8
161.13251	6.8
163.14790	7.3
173.13211	6.4
187.14792	5.9
224.11383	3.3
243.21112	5.9
259.20605	9.1
261.22162	16.4
263.61908	3.8
333.24182	3.8
335.25778	100.0
336.26102	4.4
337.27390	7.3
521.72125	3.3
595.46899	11.9
613.47864	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	792.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05503	5.1
57.03431	3.9
57.07061	1.7
61.02909	0.9
65.03925	1.1
67.05492	23.8
68.05836	0.5
69.03421	0.4
69.07063	7.5
69.62659	1.1
71.04976	1.3
73.02911	0.5
73.19913	0.4
79.05479	15.7
81.07044	29.1
83.04964	0.9
83.08607	3.9
84.85951	0.4
85.02893	1.0
85.06538	0.9
91.03910	0.7
91.05466	8.5
93.07034	20.5
95.04957	1.9
95.08589	25.1
97.02883	0.5
97.06509	1.5
97.10159	2.8
99.08076	0.9
105.04494	0.5
105.07021	7.6
107.08577	12.1
107.11084	0.4
109.06452	1.0
109.10138	14.1
109.10888	0.8
111.08054	0.7
111.11729	0.7
117.06997	3.4
119.07739	0.7
119.08562	8.7
120.06705	0.4
121.10124	11.3
123.08062	0.5
123.11681	5.7
125.09609	0.9
129.06964	0.9
131.08551	5.6
133.10095	7.3
135.11674	9.2
135.12656	0.7
137.09587	0.9
137.13239	1.3
139.11169	0.8
143.08551	0.9
145.04979	0.4
145.10106	5.6
147.11667	7.1
149.13239	6.1
151.14781	1.2
153.12677	0.4
155.96057	0.4
157.10100	0.9
159.11659	7.3
160.48244	0.4
161.13232	6.4
163.11122	0.4
163.14781	4.5
165.12698	0.5
171.11710	1.6
173.13235	5.6
175.14783	3.1
177.12700	0.6
177.16373	1.5
179.14323	0.4
183.11801	0.4
185.13240	1.3
187.14772	2.9
189.16293	0.8
191.17888	0.5
197.13298	0.5
199.14746	1.0
201.16420	0.8
203.17926	0.7
211.14742	0.5
213.16414	0.7
215.17957	0.9
217.19505	0.8
219.17386	0.4
227.16168	0.5
227.18106	0.5
231.20999	1.0
233.22606	0.6
241.19600	2.9
243.21031	5.9
245.22552	0.7
251.92302	0.4
259.20517	6.9
261.22092	17.5
262.22519	0.7
263.23727	1.4
273.21951	0.5
277.21692	0.6
279.23154	0.7
285.22073	0.7
287.23734	0.5
295.22589	0.5
299.23721	0.8
301.25122	0.5
312.58981	0.4
315.23248	0.6
317.24658	3.6
327.26752	0.6
333.24173	5.9
335.25745	100.0
336.26053	4.4
337.27328	8.9
338.27728	0.7
341.28668	0.6
521.43420	1.7
539.44366	0.6
595.47125	14.2
596.47296	1.4
596.72205	0.4
613.48120	9.4
614.48541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.1
57.03396	1.8
58.04642	0.5
61.02897	1.9
65.03922	1.7
66.03445	0.6
67.05472	2.4
69.03103	0.5
69.03416	5.6
71.01323	0.6
71.04982	3.4
73.02876	1.1
77.03906	1.2
79.05464	3.5
80.04978	1.7
81.03398	3.9
81.05772	0.9
81.07047	0.9
82.06544	1.8
85.02892	8.5
85.06503	0.9
87.04429	0.9
91.05463	3.9
93.03363	1.9
93.05759	1.2
93.07027	5.6
94.05981	0.7
94.06553	12.7
95.04946	1.9
95.07347	3.8
95.08584	1.0
96.04443	0.9
96.08114	14.9
97.02874	4.2
97.06499	1.4
99.04442	1.3
101.02351	0.5
103.05428	2.0
105.04502	0.8
105.05755	0.6
105.07010	0.9
106.06540	7.2
107.07314	3.6
108.04440	2.3
108.08101	24.0
109.02847	2.3
109.08908	1.0
110.06027	1.3
110.09663	23.3
110.10431	1.1
113.05946	1.2
117.05717	0.7
117.06954	0.8
118.06509	2.3
119.07304	1.0
120.04446	6.3
120.08086	20.7
121.06462	1.2
121.08920	1.0
122.06015	14.7
122.09641	5.9
123.06820	0.5
124.07568	14.7
127.03867	2.1
127.07530	1.8
130.06516	0.9
131.07156	0.7
132.08035	2.7
134.05974	5.6
134.09628	3.5
135.06757	1.1
136.07550	42.1
137.05925	4.6
137.08313	1.5
138.05460	2.1
138.09113	35.1
139.09483	0.6
144.04425	2.4
144.08046	1.7
145.08592	7.8
146.05977	68.7
147.06320	0.9
148.07547	24.9
149.05952	0.8
149.08084	0.6
150.05501	1.5
150.09113	19.3
151.03802	0.6
151.07483	1.2
152.07036	23.2
153.01744	0.7
158.05972	3.6
158.09608	1.0
160.03903	1.2
160.07547	3.6
161.05968	1.1
162.05431	3.6
162.09117	1.7
163.06244	0.7
163.07503	1.6
164.07031	18.1
165.07765	1.6
166.08606	100.0
166.72522	0.5
167.07019	1.2
167.09029	1.8
168.10165	0.9
172.03914	12.6
172.07573	1.5
174.05504	1.6
174.09117	3.6
176.07037	4.0
178.08586	1.9
180.10139	1.7
181.04916	0.7
181.08705	0.9
182.08109	3.5
182.09608	1.2
183.09145	0.9
184.09947	1.5
185.10657	0.9
186.05389	0.7
186.09174	0.7
186.64070	0.6
188.06975	0.5
189.09071	0.6
190.04959	36.2
191.05376	0.9
192.06606	0.7
192.10150	2.9
194.08170	0.8
195.09084	1.1
196.07666	0.5
196.09894	2.1
196.11403	0.9
197.10646	5.4
198.09647	0.9
198.11482	7.8
199.12267	3.2
201.13890	0.6
204.06516	0.9
206.08020	0.8
207.08952	0.7
208.09702	0.8
209.10680	3.3
210.09294	1.0
210.11446	7.9
211.08611	0.6
211.12270	16.0
212.09364	1.7
212.12987	6.0
213.10179	1.5
213.13821	2.4
214.10912	0.6
215.11766	0.9
218.08096	12.3
220.09752	1.7
221.10681	2.4
222.11403	1.1
223.08838	1.0
223.12254	10.0
224.09384	2.2
224.13011	3.6
225.10199	10.3
225.13701	5.2
226.10915	7.9
227.11726	9.6
227.15414	1.0
229.09816	1.2
229.13350	3.8
233.10738	0.8
234.09157	0.7
234.11423	0.7
235.08630	2.0
235.12193	3.0
236.09280	3.6
236.13072	1.9
237.10149	11.2
237.13733	2.9
238.08803	0.4
238.10948	12.2
239.11748	25.5
240.12502	4.5
241.09512	1.3
241.11098	0.6
241.13266	4.9
242.10327	0.6
243.11246	1.7
245.12877	1.8
246.07649	2.9
248.09439	1.8
249.10210	6.6
249.13933	0.8
250.10945	5.7
251.08011	1.3
251.08781	0.7
251.11748	23.2
252.08783	2.7
252.12459	7.4
253.09731	4.1
253.13319	17.1
254.10371	1.3
254.13921	1.1
255.11281	6.7
255.14919	2.1
256.12045	4.4
257.12833	7.1
259.14365	6.6
262.10971	3.9
263.07983	1.7
263.11746	14.0
264.08804	5.6
264.12347	3.8
265.09720	7.2
265.13336	12.2
266.10471	6.9
266.14056	3.6
267.11227	20.5
267.14780	2.1
268.12036	3.3
268.14612	0.5
269.09552	0.8
269.12741	9.6
270.13495	1.7
271.05923	1.7
271.10867	3.0
271.14349	21.1
272.14819	0.7
273.12222	6.5
275.11700	1.6
276.12604	1.0
277.09668	2.5
277.13089	1.2
278.10434	3.3
279.11234	33.0
280.11948	6.9
281.09464	1.2
281.12766	21.3
282.10226	1.0
282.13464	2.9
283.10739	7.1
283.14343	4.2
284.11520	12.5
284.14697	0.9
285.12286	40.2
286.12653	1.3
287.05487	11.7
287.13867	4.1
289.12170	1.1
289.15363	6.6
290.16284	0.7
291.11200	13.4
292.12006	3.5
293.09268	1.8
293.12756	15.1
294.13379	1.5
295.10727	4.3
295.14377	4.3
296.11551	7.0
297.12286	63.4
298.12958	9.6
299.13843	65.9
300.14273	3.4
301.15396	6.7
302.16327	1.0
303.11267	0.7
305.09265	0.8
307.10669	3.3
308.11237	1.0
309.12262	16.7
310.13028	4.2
311.10251	6.6
311.13873	26.2
312.14362	2.1
313.11798	2.9
313.15427	6.8
314.12231	0.6
314.16104	1.6
315.13351	23.9
315.16232	0.8
316.14163	2.0
318.16000	0.7
319.10660	7.8
321.12280	15.1
322.12872	1.1
323.10245	13.2
323.13837	1.0
324.10959	2.0
325.11774	17.1
325.15594	1.0
326.12292	1.4
327.13336	9.8
328.14178	1.9
329.15179	1.1
330.15887	2.0
331.15884	0.9
332.17499	0.9
337.11755	38.3
338.12433	3.1
339.13284	6.1
340.14111	1.3
341.11328	1.2
341.15152	2.5
342.16113	0.9
343.12775	7.0
343.16364	0.8
344.13589	0.7
344.17493	1.1
346.15347	0.9
346.19049	1.0
348.20801	0.9
355.12857	0.9
356.13858	1.4
356.17752	0.9
357.14734	0.9
358.15359	2.0
358.19397	1.0
362.18579	1.8
367.12866	1.7
369.14743	1.1
370.15543	0.8
372.17035	1.4
374.18781	1.7
376.20169	2.1
378.21820	1.8
380.19562	1.2
381.14886	0.8
384.17126	0.8
385.13864	4.0
386.14694	1.5
386.18686	1.4
387.15744	1.3
388.16275	1.3
390.18094	1.8
392.19601	5.5
399.15350	0.6
400.16492	2.4
401.16956	1.2
402.18036	2.4
403.19012	0.7
404.19717	5.6
406.17242	0.9
411.10913	0.8
412.11523	1.2
412.16763	1.4
414.18011	2.0
416.19580	1.8
418.17523	2.2
420.19113	1.8
421.19879	1.4
422.20703	9.5
423.21014	0.9
424.16849	1.3
424.22064	0.7
430.17349	5.8
431.17953	1.6
432.19189	7.1
433.19458	1.2
434.20700	10.0
435.21298	1.8
436.18546	1.8
442.17352	3.2
443.18210	0.9
444.19131	1.0
446.20917	5.4
448.18063	19.5
449.19281	12.8
450.20135	12.6
458.17084	0.7
459.17496	1.5
460.18640	14.7
461.19067	7.5
462.20288	3.7
463.20670	1.7
464.21741	44.7
465.22284	5.9
472.18802	1.4
473.20309	0.6
474.20160	3.6
476.18063	7.5
477.18854	9.9
478.19510	7.2
487.17163	5.0
489.18433	1.0
490.19650	26.0
491.19946	3.1
492.21136	3.5
505.18314	1.4
508.20786	2.1
509.21527	0.7
567.25885	1.1
569.27631	1.2
571.25128	0.7
580.22253	0.9
585.26740	1.1
587.28528	23.7
588.28882	1.8
594.24341	1.9
595.25482	10.6
599.24957	1.8
608.25659	1.5
610.26880	0.8
611.24451	4.0
612.25586	3.8
613.26447	85.9
614.26672	6.3
626.26959	39.0
627.27698	8.1
628.28210	1.3
631.27429	5.0
634.23633	0.9
636.25354	2.3
638.23492	1.2
652.24780	11.4
653.25476	8.3
654.26752	4.2
655.26788	0.7
670.25873	2.0
671.26508	2.1
731.33075	1.0
749.33569	6.6
750.34302	1.1
757.30267	1.0
761.30450	1.5
775.31635	22.6
776.31989	1.7
793.33435	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	793.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40347	0.6
57.03425	1.4
61.02905	1.6
65.03923	2.1
66.03444	1.1
67.05474	2.6
69.03434	4.9
69.71438	2.5
71.04967	4.2
77.03914	0.7
79.05466	3.1
80.05016	1.4
81.03407	3.5
81.05773	0.9
81.07030	1.1
82.06559	1.4
85.02892	8.0
87.04447	0.9
91.05462	3.7
93.03396	1.2
93.05759	1.3
93.07030	5.7
94.06556	12.3
95.04935	2.6
95.07354	4.0
96.04514	0.7
96.08113	15.5
97.02881	4.1
98.22736	1.3
103.05429	2.2
105.05711	0.6
105.07001	1.1
106.06544	7.1
107.07320	3.8
108.04444	2.0
108.07372	1.4
108.08100	24.8
109.02834	1.2
109.08879	1.1
110.06017	1.5
110.09662	23.5
116.21795	0.6
117.05739	0.9
118.06517	2.9
119.07320	0.7
120.04451	5.4
120.08085	19.2
121.06522	1.3
121.08870	1.3
122.06023	13.7
122.09647	6.1
123.06814	1.1
124.07574	15.0
127.03887	1.7
127.07529	1.4
132.04457	1.0
132.08089	3.2
134.05988	6.6
134.09639	3.9
136.07555	41.3
137.05972	4.3
137.08220	1.0
138.05453	1.7
138.09123	33.1
144.04411	2.4
144.08110	1.4
145.04921	0.7
145.08588	7.3
146.05983	72.0
147.06342	1.8
148.07552	26.5
149.05942	1.2
150.05489	1.7
150.09125	21.2
151.03918	1.0
151.07516	1.2
152.07031	22.1
158.05991	5.4
158.09602	0.9
160.03951	0.9
160.07594	2.2
161.05997	1.2
162.05470	3.6
162.09116	1.6
163.07465	1.2
164.07037	16.9
164.08450	0.9
165.07883	1.4
166.08612	95.0
167.07080	1.2
167.09019	2.0
168.10190	1.1
172.03914	13.8
172.07584	1.1
174.05499	2.0
174.09088	3.9
176.07016	4.7
178.08614	1.8
180.10159	2.4
182.08127	4.7
182.09508	1.2
183.09044	0.8
184.07524	0.8
184.09850	0.9
185.10716	1.5
188.07074	1.2
190.04967	33.4
191.05359	1.5
191.06946	0.9
192.06444	1.4
192.10110	3.6
194.08136	1.3
196.09853	1.6
196.11407	0.9
197.10706	5.5
198.09253	1.2
198.11490	6.4
199.12297	4.7
206.08101	1.6
208.09761	0.9
209.10696	4.3
210.09329	1.4
210.11449	8.4
211.08696	1.2
211.12268	16.5
212.09274	1.0
212.12958	6.3
213.10199	2.0
213.13707	3.2
214.10872	0.7
215.11797	0.8
215.15570	0.7
218.08118	11.2
218.10045	1.2
220.09743	1.3
221.10782	1.5
222.11398	1.1
223.08723	0.9
223.12219	9.0
224.09357	2.3
224.12891	4.1
225.10202	11.4
225.13783	6.0
226.10873	7.8
226.14380	1.0
227.11736	10.3
227.15335	1.1
229.09702	1.2
229.13312	3.7
231.14934	0.8
233.10606	0.9
234.11668	0.9
235.08629	1.2
235.12267	2.8
236.09424	2.8
236.13087	1.4
237.10187	9.3
237.13757	3.9
238.10909	12.2
239.08107	1.0
239.11745	21.4
239.15414	1.0
240.12538	4.2
241.13315	4.9
243.11308	1.2
245.12898	1.2
246.07600	3.1
247.12253	0.7
248.09486	1.4
249.10204	6.2
250.10945	4.8
251.08003	1.5
251.11760	22.0
252.08745	1.0
252.09914	0.7
252.12503	7.7
253.09668	3.1
253.13319	17.1
254.10405	1.0
254.14023	1.1
255.11263	5.6
255.14877	1.8
256.11896	5.0
257.12808	8.4
258.13388	1.5
259.14410	8.1
261.10132	1.1
262.10995	3.0
263.07880	1.1
263.08853	1.1
263.11746	12.9
264.08777	3.7
264.12408	5.0
265.09732	7.3
265.13342	11.7
266.10513	5.1
266.14053	1.9
267.11246	21.0
267.14758	2.2
268.12015	3.3
269.12772	10.5
270.13556	1.4
271.05954	1.3
271.10913	2.9
271.14352	21.0
272.14920	1.2
273.12238	6.3
273.15204	0.9
275.11642	1.4
276.12482	0.9
277.09683	2.8
277.13406	1.7
278.10349	3.3
279.08185	1.2
279.11237	34.7
280.11874	6.0
281.12802	24.0
282.10123	1.1
282.13428	2.3
283.10773	6.8
283.14371	5.3
284.11478	14.2
285.12299	42.1
286.12704	1.4
287.05450	9.7
287.13922	5.3
289.15457	8.1
291.11206	14.0
292.11975	3.5
293.09396	2.0
293.12778	16.5
294.13483	1.6
295.10712	4.6
295.14392	3.5
296.11505	6.5
297.12292	73.2
298.12949	9.9
299.13855	77.8
300.14352	4.6
301.15405	7.6
302.16382	1.2
307.10727	2.8
308.10919	0.9
309.12256	16.5
310.12973	4.3
311.10275	6.5
311.13892	29.4
312.11017	1.5
312.14478	2.3
313.11850	3.2
313.15408	7.3
314.16064	1.0
315.13354	27.5
315.16681	1.5
316.14294	2.5
318.16022	1.3
319.10727	8.8
321.12280	14.8
322.12885	0.9
323.10190	12.9
323.13666	1.2
324.11020	1.9
325.11758	19.4
326.12650	1.2
327.13370	10.5
328.13989	1.7
329.14966	1.1
330.15924	1.9
331.16388	1.0
332.17365	0.9
337.11768	43.5
338.12320	3.8
339.13443	5.9
341.11505	1.2
341.14963	3.9
342.15829	1.3
343.12802	7.9
343.16278	0.8
344.13510	1.3
344.17468	1.2
346.15378	0.8
355.12915	1.5
356.13559	0.8
356.17490	0.9
357.14771	1.5
358.15247	1.4
362.18588	1.9
367.12735	1.5
369.15012	1.2
370.15784	0.9
372.17102	2.2
374.18613	1.9
376.20273	1.9
378.21701	1.2
380.19720	1.3
384.17151	1.2
385.13840	7.1
386.18921	1.1
390.18060	2.0
392.19720	6.4
394.20862	0.9
400.16467	3.0
401.17007	1.0
402.17993	3.5
404.19861	5.7
406.17212	1.0
411.10681	0.9
412.11496	1.5
412.16733	3.0
414.18057	1.8
416.19620	2.6
418.17004	1.5
418.21866	1.4
420.23160	1.5
421.19803	1.1
422.20618	11.2
430.17499	8.3
431.18307	2.1
432.19077	6.4
433.19669	1.4
434.20691	12.3
435.21362	1.7
436.18652	2.2
442.17599	2.9
443.18018	1.5
444.19333	1.2
446.20929	4.5
447.21277	0.9
448.18109	22.8
449.19263	15.3
450.20190	13.8
451.20667	1.5
459.17712	1.5
460.18631	16.1
461.19028	7.6
462.19952	4.2
463.20734	2.5
464.21744	53.4
465.22290	6.7
466.23734	1.5
472.18741	2.5
474.20190	4.3
476.18033	9.3
477.18805	11.5
478.19492	7.6
479.19666	0.8
487.16986	6.5
490.19666	25.8
491.20081	3.3
492.21439	4.0
505.17618	1.1
508.20840	2.6
541.28674	0.8
566.25006	0.9
567.25848	1.8
569.27490	1.1
584.26367	1.1
585.27313	1.3
587.28479	27.2
588.28833	2.1
594.24457	2.7
595.25208	11.1
599.24799	1.3
608.26062	2.4
610.26727	1.0
611.24536	4.2
612.25378	4.3
613.26483	100.0
614.26715	9.2
626.26978	44.7
627.27502	11.0
628.28204	1.2
631.27570	6.6
634.23608	1.3
636.25067	1.5
638.23254	2.1
640.24347	1.1
652.24872	15.6
653.25452	9.8
654.26337	5.0
670.26093	3.9
671.26660	1.9
749.33606	9.9
750.35638	1.1
757.30823	2.4
761.30145	1.0
775.31775	30.4
776.31763	4.3
793.31293	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	794.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	6.8
67.05492	2.9
69.03426	5.0
69.55700	2.3
79.05483	6.5
81.03407	6.2
81.07030	1.5
83.08583	1.8
85.02894	5.4
87.77734	1.3
91.05473	10.0
93.03408	1.8
93.07036	2.0
95.04960	5.8
97.02895	4.0
97.06555	1.7
99.04446	2.1
100.11244	2.7
103.05463	22.0
105.03390	1.6
105.07002	13.8
105.07544	1.4
107.04938	11.6
109.02845	3.5
109.06519	2.0
109.10172	1.7
111.04449	3.4
115.05424	6.5
117.06987	7.5
118.04141	4.8
119.04928	6.4
119.08599	2.5
121.02853	7.4
121.06497	2.3
123.04420	5.0
123.73363	1.4
124.05242	2.2
125.06001	5.1
127.03925	3.9
128.06218	2.0
129.06998	2.9
130.04114	2.0
131.04916	25.5
131.08450	1.5
132.05734	1.7
133.02853	4.7
133.06467	8.8
133.10135	4.7
134.03592	1.7
135.04453	2.1
135.08066	2.9
137.05960	21.1
137.09616	1.6
143.04886	2.2
144.05705	2.7
145.05049	1.8
145.06479	8.6
145.08546	3.1
147.04367	7.0
147.08035	3.3
148.05168	12.4
149.05966	3.7
151.03886	4.9
151.07529	5.1
153.05482	8.0
155.04921	1.9
157.06447	3.0
159.08069	3.8
160.05095	2.0
161.05948	9.8
161.09615	7.2
163.03903	4.4
163.07520	29.0
163.11215	2.0
165.05466	3.7
165.09122	2.0
167.07014	65.1
168.07315	1.4
171.06531	3.7
173.05945	13.5
175.07567	5.9
176.04640	2.4
177.05496	6.5
179.03442	3.4
179.07016	14.2
179.08450	1.9
181.04935	79.4
184.05208	1.6
187.07480	8.0
189.05511	2.5
189.09113	4.1
190.06235	4.7
191.07007	100.0
192.07370	2.5
193.08609	4.9
195.06554	3.1
201.05437	3.0
202.06262	2.0
203.07034	5.6
205.08543	17.7
207.06471	2.0
207.10205	5.3
209.07883	2.8
211.15173	1.3
217.08592	11.2
219.06357	1.9
219.08260	2.6
219.09998	7.3
221.08061	2.7
233.06018	1.7
233.08054	8.0
235.07545	2.7
235.09549	9.6
247.07433	2.1
257.08157	2.0
257.24344	1.6
263.09131	32.5
265.08319	2.0
265.10800	6.8
267.10110	4.1
271.05881	1.8
272.06284	1.6
289.10788	1.5
295.09338	1.6
296.10513	2.1
297.11200	1.5
309.10919	2.0
311.11633	1.5
325.10736	4.1
337.10666	2.5
339.12149	2.8
351.14203	2.2
357.13202	8.3
367.11670	3.5
369.13208	3.8
371.15317	1.6
383.14944	2.1
385.12634	14.0
387.14212	2.7
399.14258	6.1
401.15894	3.0
417.15433	45.8
418.15671	2.4
423.14301	2.3
454.93152	1.6
579.20538	7.1
584.45355	1.9
793.59308	3.0
797.00848	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	1.1
63.57196	1.0
67.05507	1.3
69.29739	2.5
69.30146	5.1
81.07057	1.3
87.04474	3.6
91.05517	1.0
98.22735	2.5
98.71184	1.1
141.83073	1.0
166.03130	1.1
175.03674	1.0
313.11490	1.3
382.04272	1.2
413.89737	1.1
691.40198	4.8
795.42676	100.0
796.42639	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	795.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.5
59.84562	1.3
61.02913	8.2
62.53193	1.3
62.83524	1.1
67.05479	6.9
69.03412	4.8
69.07039	1.9
70.05766	2.8
70.06567	3.7
73.02906	6.4
74.19421	1.1
74.98357	1.1
79.05473	6.5
81.03389	2.2
81.07043	5.5
85.02888	5.2
85.36539	1.3
90.49408	1.1
91.03941	5.3
91.05471	3.9
93.07030	5.5
95.04970	2.2
95.08585	3.9
97.02886	6.2
98.23425	1.1
101.02358	2.8
105.07059	1.5
107.08576	3.7
109.10118	3.0
121.10062	1.8
123.19778	1.2
127.03860	2.7
131.08537	1.6
135.11699	1.7
140.87279	1.1
144.53888	1.2
243.08347	2.8
267.12003	3.6
273.96536	1.2
299.14655	2.1
299.46609	1.3
335.25827	1.6
485.19711	1.8
517.22449	1.5
519.29297	10.4
622.27374	2.0
763.42511	8.8
777.43536	1.7
777.56732	1.4
795.45050	100.0
796.45508	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	796.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	8.2
61.02911	3.0
67.05503	1.4
69.03101	1.3
69.03423	12.0
71.01362	1.2
71.04985	42.5
71.41437	0.9
73.02915	5.2
75.04478	5.7
81.03403	5.1
83.04465	1.3
83.04972	38.2
85.02896	100.0
87.04451	3.0
91.03959	1.2
95.04961	2.1
95.08570	1.1
97.02882	15.7
99.04433	4.6
103.03922	1.3
109.02868	4.5
111.04427	26.8
113.06005	1.9
115.03884	1.5
121.06452	1.8
123.04382	1.7
127.03900	14.0
129.05458	39.8
133.04990	1.7
137.05989	2.1
139.03893	1.5
145.04941	17.2
147.06505	20.9
149.05991	1.2
151.03925	1.3
153.05461	3.0
157.04933	1.2
163.06003	7.1
171.06453	2.1
179.05414	1.2
181.04948	1.4
183.06563	1.6
201.07568	1.7
225.07443	1.9
237.07628	5.2
239.09206	8.9
239.14766	1.0
255.08707	6.6
257.10129	6.7
273.09604	14.8
275.11221	7.8
291.10538	1.4
293.12241	15.5
309.11774	11.2
325.11108	2.0
581.54712	1.4
716.33240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	0.6
69.03422	0.8
70.65472	0.7
71.04992	0.6
75.04465	0.8
75.79058	0.5
79.05479	0.9
83.04988	0.5
85.02887	2.5
89.59885	0.5
91.05478	1.8
93.03378	1.2
93.07039	0.8
95.04955	1.0
97.02874	0.7
103.05457	1.0
105.07029	1.5
106.04131	2.6
107.04358	0.5
107.04950	3.4
109.02852	0.6
109.76054	0.5
110.03666	0.9
111.04459	0.6
111.28651	0.5
117.07103	0.4
119.04960	0.7
121.06496	4.2
123.04404	0.7
125.05975	1.3
127.03851	0.6
131.04903	1.3
133.02859	0.5
133.06436	0.8
135.04390	1.5
135.08070	0.7
137.06001	1.5
142.51291	0.5
145.06471	0.6
147.04384	0.7
147.08052	0.7
148.05116	0.5
149.05959	4.5
151.03879	0.6
151.07549	2.0
153.05467	1.7
153.09117	1.1
159.08054	0.9
161.05951	2.1
162.06584	0.6
163.03908	2.1
163.07542	1.9
165.07011	0.6
165.09100	0.6
167.07034	7.5
167.08475	0.7
175.07527	2.5
176.04704	0.6
177.05537	3.1
177.09070	9.1
178.07814	1.3
179.07021	0.9
179.08521	1.0
181.05006	2.4
181.06364	0.6
181.07246	0.5
181.08571	3.2
189.09087	1.4
191.06976	0.8
191.08546	0.5
193.08589	6.6
194.07214	0.7
195.06468	0.9
195.08070	1.4
201.05511	0.6
202.69414	0.5
205.06535	0.6
206.07346	0.6
207.08090	1.4
208.08763	0.5
209.06097	0.5
209.08008	11.4
210.06723	0.7
210.08487	0.5
211.07381	0.8
212.08159	0.8
215.08507	0.7
219.08165	1.2
219.10097	0.7
221.05934	0.9
221.09557	1.3
221.11703	2.5
222.06787	1.4
223.07433	1.4
224.08234	1.9
225.09120	1.3
231.08154	0.8
233.09630	0.9
234.06735	1.6
234.10352	0.7
235.07504	2.5
236.08319	2.0
237.08916	2.3
238.09827	1.4
239.07011	0.7
239.10638	0.6
240.07750	1.4
247.07439	0.9
248.08310	0.7
249.06386	0.8
249.09041	8.3
250.06190	0.8
250.09840	2.3
251.06998	1.8
252.07841	5.0
253.08540	2.3
253.12276	0.9
255.10063	0.7
260.08255	0.6
261.09113	1.4
263.06973	1.1
264.07831	2.7
265.05527	1.0
265.08539	10.4
266.09329	6.3
267.10083	1.5
268.07272	0.8
269.08066	1.3
269.11691	0.7
275.10831	0.5
277.08603	2.4
278.09305	1.7
279.06693	0.5
279.10147	0.8
280.07343	5.6
280.10529	0.9
281.07993	3.5
281.11685	1.5
283.09686	1.6
285.07736	0.6
285.11115	1.2
291.10165	0.6
293.08069	2.1
293.11716	7.0
294.08850	0.8
294.12018	1.1
295.09467	2.8
296.10416	7.4
297.07596	0.8
297.11200	1.6
298.08282	0.8
298.11407	0.8
299.12762	0.8
300.09799	2.0
307.09708	0.5
309.11154	2.0
310.11874	1.0
311.12720	8.6
312.09760	1.0
312.13153	0.7
313.10635	8.8
313.14310	4.7
314.10889	0.9
321.11124	5.4
324.09940	1.3
325.10556	0.7
326.11319	1.1
327.12323	2.2
329.13519	0.6
330.07272	0.5
331.15387	1.4
339.12228	52.6
340.12805	5.9
341.13831	3.3
343.15347	2.3
345.16971	1.0
356.12708	0.6
359.14841	17.0
360.15347	0.9
361.16553	1.5
371.14838	100.0
372.15176	5.4
373.16690	0.7
471.01361	0.6
636.76825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	19.4
62.48401	3.1
65.03923	4.6
67.05494	84.5
69.03404	10.1
69.07064	25.6
69.30183	16.6
71.04984	5.8
79.05481	90.2
79.05939	6.1
81.03410	10.7
81.07046	100.0
82.08102	3.4
83.04961	10.0
83.08608	9.0
91.04932	5.8
91.05464	69.8
93.07034	78.5
95.04947	24.2
95.08595	52.6
97.02882	3.1
97.06511	10.2
99.08047	4.1
105.04502	9.8
105.07021	41.2
107.04933	7.9
107.08580	38.0
109.06505	9.6
109.10141	20.2
111.08054	3.3
115.05387	4.8
117.06992	31.1
119.08565	29.8
121.10130	24.7
123.08039	7.7
123.11694	4.4
129.06989	17.4
131.08562	36.2
133.06482	3.6
133.10112	24.3
135.08022	9.5
135.11639	10.2
137.09579	6.7
141.06889	4.3
143.08531	11.1
145.10109	28.9
147.11639	11.4
149.09587	11.4
149.13194	5.1
155.08551	4.1
157.10088	13.3
159.11719	10.4
161.13156	5.8
163.11156	6.6
169.10081	11.7
171.11632	10.5
173.09644	4.0
173.13240	10.8
175.11174	4.5
175.14821	3.7
187.14813	4.2
189.12773	5.6
191.14450	3.4
201.11221	9.2
201.16315	5.4
201.27672	3.3
203.19829	4.0
211.14755	10.6
219.17288	3.7
229.15837	13.1
241.14526	3.4
247.16901	11.9
261.22067	9.3
281.17462	13.3
307.22723	5.8
321.20593	12.9
335.25778	57.0
487.46634	3.8
501.35541	7.9
541.38806	15.4
581.41718	11.4
599.42615	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	796.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	22.0
57.07071	7.0
65.03947	6.9
67.05497	93.0
69.03412	9.6
69.07059	32.8
69.09481	30.7
71.05021	5.0
79.05478	100.0
81.03410	8.4
81.07050	88.5
83.04967	12.5
83.08614	27.7
83.30622	4.8
85.06532	9.3
91.05466	66.4
93.07024	83.8
95.04948	17.8
95.08589	50.4
97.06512	16.9
97.10145	15.4
98.23427	10.0
105.07005	56.7
107.04914	9.7
107.08571	52.8
109.06518	8.5
109.10130	27.3
117.07001	20.2
119.08571	36.4
121.10106	46.3
123.11666	9.2
125.09623	13.6
125.13608	5.4
129.07014	7.6
131.08534	28.7
133.10106	37.2
135.08060	6.1
135.11670	16.8
143.08559	9.2
145.10109	32.1
147.11655	28.9
149.09615	11.7
149.13271	5.3
157.10063	8.5
159.11667	19.7
161.13301	6.8
163.11166	7.2
173.13264	12.4
178.11861	5.0
185.13364	7.1
197.13199	7.9
215.18004	15.9
227.12836	10.1
229.14180	7.6
233.18979	9.1
257.19107	7.2
267.15875	8.4
275.20023	26.5
307.22659	88.6
335.25726	7.1
349.23676	32.7
581.41742	56.8
696.67139	5.8
738.43512	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	796.519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	23.7
57.07059	2.7
61.02903	5.1
65.03931	4.0
67.05492	89.6
68.87354	2.3
69.03413	6.9
69.07059	20.2
71.04986	4.1
72.60748	2.2
77.03873	2.0
79.05481	88.5
79.05946	4.5
80.02897	2.0
81.03403	11.5
81.06554	3.8
81.07041	78.9
83.04972	8.7
83.08601	9.6
85.02895	4.7
85.06529	2.6
91.05462	56.9
93.07026	82.2
95.04959	19.3
95.08589	47.8
97.02892	3.9
97.06514	9.5
97.10175	3.4
99.08062	4.8
105.04528	4.3
105.07006	37.3
107.04951	6.2
107.08585	32.7
109.06488	5.9
109.10130	24.4
111.08056	5.8
117.06989	21.3
119.08561	28.4
121.10133	37.3
123.08057	3.3
123.11710	4.1
125.09616	5.1
129.07005	7.5
131.08549	26.5
133.10118	26.2
135.08012	6.1
135.11653	16.7
137.09576	3.7
139.11137	2.7
141.07018	3.3
143.08521	7.9
145.10066	17.7
147.11624	14.9
149.09616	6.2
149.13220	7.1
155.08511	2.5
157.10120	7.4
159.11699	14.7
161.13280	3.9
163.11113	3.3
169.10114	3.1
171.11719	6.1
171.25163	1.9
173.11758	4.3
173.13257	9.1
175.11101	2.5
177.12775	2.3
183.11610	2.9
185.13242	5.1
187.14821	3.1
187.61746	2.3
191.35843	2.0
197.13397	2.2
201.16298	2.4
211.14777	3.5
215.17896	13.4
229.14264	11.0
229.87291	2.1
231.17455	2.5
233.18993	7.6
247.16818	4.0
257.18945	5.9
269.17340	10.6
275.20062	16.7
307.22623	100.0
308.22940	3.2
309.20523	6.1
321.20517	3.5
335.25876	4.7
349.23856	14.6
461.32529	9.0
487.34207	8.7
501.35657	33.8
541.38739	18.6
581.41779	27.5
599.43042	2.6
763.47736	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	796.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	64.4
65.88754	1.6
69.03423	1.8
69.28853	1.6
73.06563	2.3
73.68106	1.7
87.04462	26.4
89.06017	100.0
91.05468	7.3
92.60069	2.1
93.07025	4.3
95.04992	1.9
105.07036	3.6
107.07077	4.3
107.08575	3.8
113.13227	2.5
117.07004	2.3
117.09123	3.1
118.07765	3.9
119.04915	3.4
119.08584	4.8
121.06483	21.1
131.07001	9.2
133.07567	3.2
133.08582	56.9
133.10103	2.3
135.08003	4.3
147.08026	10.3
149.09621	5.7
149.13139	2.6
150.06665	2.2
159.11705	3.3
161.11804	1.9
163.11192	4.0
163.12590	1.8
163.18336	1.8
165.09087	6.7
175.09631	6.3
177.11227	24.7
177.12666	2.9
191.10658	2.1
192.59842	2.1
194.54210	1.8
209.11690	2.3
211.13231	3.1
221.13829	3.7
233.19006	20.6
255.15909	3.2
257.78232	1.7
275.20004	2.2
277.21579	24.7
277.98578	1.9
303.22980	2.5
321.24203	7.3
356.15097	1.8
393.66843	1.8
415.99680	1.8
677.36383	4.4
767.43347	2.0
779.51746	2.6
796.54004	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	797.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68534	0.4
65.03931	5.4
67.05492	1.8
69.03414	1.4
70.95159	0.8
79.05476	0.8
81.03395	1.0
81.89314	0.4
85.02906	2.4
89.03898	5.0
91.05442	0.5
93.03382	7.9
93.59861	0.4
95.04966	0.7
97.02874	100.0
98.03209	1.1
107.04916	1.0
109.02840	0.6
111.04447	0.7
113.31309	0.5
115.03900	0.5
115.05464	0.9
117.03371	5.5
118.06516	0.9
121.02820	2.4
123.04420	1.2
125.02337	1.2
127.03860	0.9
128.05020	0.5
128.06215	1.7
129.06969	10.1
130.06473	0.6
131.07356	0.5
135.04384	13.7
136.07564	0.9
137.02313	4.5
139.03888	1.2
139.05414	1.7
141.06927	3.0
145.02821	10.6
146.05983	42.8
147.04364	0.8
147.06300	1.3
147.08061	0.9
149.02289	5.4
149.05972	0.5
157.06447	8.6
160.05176	1.2
160.07555	1.0
163.03871	99.2
164.04195	2.2
167.03372	29.3
167.04770	1.8
169.06502	2.8
170.05980	1.3
173.06004	2.3
174.05464	12.3
174.06723	1.0
175.03865	1.2
175.07504	17.1
177.05388	1.1
184.07578	1.1
185.04308	1.0
185.05943	13.3
186.05685	0.5
187.07497	1.2
188.07025	22.8
189.07326	0.6
192.06512	37.1
193.06877	1.2
196.07556	1.1
197.05933	0.6
201.05383	2.4
203.07005	9.3
204.06931	0.5
205.04715	0.7
212.06984	2.9
213.05420	7.7
213.07306	1.0
216.06529	2.4
224.06955	0.7
231.06483	17.6
234.07600	4.9
240.06425	0.6
241.04962	0.8
242.08125	1.0
249.07526	0.6
254.08008	1.1
258.07693	1.1
259.05978	4.7
269.12671	0.8
270.07599	1.4
277.07007	69.8
278.07376	2.2
287.13800	1.6
295.08069	17.9
300.08447	1.0
325.09198	2.5
336.10645	2.0
354.07620	0.9
354.11761	12.3
355.11960	0.6
414.80835	0.7
516.14398	1.3
537.18750	0.6
630.17200	1.0
686.25623	0.5
797.27020	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	797.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.9
57.78310	1.3
61.02913	3.8
67.05499	4.0
69.03418	4.4
69.07055	2.9
70.06566	1.1
73.02921	3.4
79.05493	3.3
80.79824	1.1
81.03410	4.5
81.07048	5.8
83.08588	2.5
85.02923	5.9
91.03973	2.1
91.05481	2.8
93.07049	4.1
95.04965	1.7
95.08574	1.9
97.02900	3.5
101.02371	2.8
105.07040	3.1
107.08586	2.4
131.08507	1.6
133.10088	1.9
147.11665	1.6
177.01181	1.1
243.08542	1.8
258.22101	1.1
351.21393	2.5
439.35931	1.4
469.20444	6.6
471.76242	1.2
503.72946	1.6
569.29413	7.2
593.25116	1.4
797.42780	100.0
798.43622	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	798.265
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89354	8.5
68.71703	8.1
69.03407	12.5
70.94056	12.3
75.01771	7.9
85.02902	10.2
93.88708	8.1
97.02898	16.7
115.03922	100.0
118.15983	7.3
123.81631	7.9
124.32104	8.2
133.05038	9.2
178.94380	8.1
237.02995	9.9
248.90508	7.7
259.08167	15.8
277.09219	26.2
557.74280	9.3
670.31885	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	798.332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	19.9
67.05489	4.1
69.03429	1.6
69.66164	2.6
69.66515	2.8
72.70740	1.1
78.04694	1.2
79.05467	3.1
81.03380	1.4
82.04164	3.3
85.02881	2.7
90.58570	1.2
91.05466	8.5
93.03396	7.0
93.07050	1.6
95.01308	2.5
95.04949	5.8
95.08547	1.3
97.06510	1.7
98.23470	2.1
103.05451	4.5
105.07008	5.6
107.04926	4.3
109.02821	1.5
110.03635	20.9
111.04426	27.1
115.05446	3.1
117.06942	1.9
119.04916	5.3
121.02857	14.9
121.06469	2.6
123.04433	2.5
125.05969	22.5
129.06961	1.9
131.04921	5.9
132.05678	1.9
133.02852	5.2
133.06465	3.8
135.04411	2.1
137.05977	11.4
138.03120	2.7
145.06499	3.4
147.04369	6.3
147.08032	3.1
149.05956	3.7
151.03914	3.2
151.07523	3.1
153.05435	100.0
159.08066	4.7
161.05954	5.7
163.03893	2.1
163.07501	5.0
165.05447	2.2
165.06911	1.5
165.09111	1.7
167.07034	16.3
167.08386	2.0
169.06490	1.7
175.07562	4.0
177.05460	2.5
178.07678	2.2
179.07022	4.1
181.04947	2.0
182.07198	1.7
185.05907	1.3
187.07570	6.8
188.08383	2.3
191.07011	3.2
191.08548	2.7
193.06429	1.4
193.08546	1.8
194.07173	2.3
195.08008	3.6
199.07518	1.6
202.07741	1.6
205.08662	2.4
206.07118	1.5
207.08078	3.4
210.06778	2.2
216.07768	2.4
217.08461	2.3
218.07213	1.5
219.08005	4.9
220.08777	3.1
221.06055	2.2
221.09607	2.2
223.07489	4.2
225.09111	4.6
226.06177	2.3
235.07523	4.0
236.08261	4.1
237.09018	2.9
238.06125	1.7
239.07066	6.0
239.10591	1.4
247.07410	2.9
247.09653	15.5
248.08212	2.3
249.09003	2.1
251.06992	2.1
251.10741	4.1
252.07814	1.4
253.08533	13.9
254.09389	4.3
255.10269	1.4
261.09015	1.8
263.06970	1.7
263.10785	1.7
264.07758	3.3
265.08575	5.3
266.09421	3.5
267.10159	3.6
268.10873	1.6
269.11646	5.7
276.07791	1.7
277.08603	1.7
279.10022	4.5
279.12897	1.2
281.08066	2.5
281.11383	1.6
282.08740	3.5
283.09650	4.0
289.08502	1.6
292.07373	1.9
293.07968	2.3
294.08853	3.1
295.09552	4.8
297.11121	9.6
307.09622	7.2
308.10263	2.8
309.07733	1.5
309.11176	4.6
311.12735	2.3
315.12207	1.5
321.10944	2.1
324.09778	1.4
325.10629	59.3
326.11380	3.4
327.12112	7.2
329.13818	2.3
337.10629	3.0
339.12268	25.7
341.13806	10.5
351.12027	2.8
353.13870	2.8
355.11771	7.5
356.12442	1.6
357.13251	72.3
358.13528	3.3
363.11832	1.7
369.13229	5.7
387.14301	4.1
528.84192	1.5
535.19458	9.9
586.80225	1.2
649.35254	1.3
738.25256	1.3
797.91870	1.4
798.28156	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	23.6
67.05499	2.8
76.67577	0.9
76.98609	1.0
79.05486	2.3
82.04200	4.5
85.02889	1.6
91.05476	8.6
93.03400	7.8
95.01335	3.0
95.04970	4.5
97.06503	1.3
103.05495	2.2
105.04530	1.4
105.07008	1.9
107.04967	6.1
108.02087	1.7
110.03654	19.0
111.04428	28.1
111.05162	1.9
115.05415	1.0
117.07007	1.2
119.04908	4.8
121.02856	18.4
121.06507	3.1
123.04411	2.0
123.47218	0.9
124.05177	1.2
125.05984	23.7
127.04011	1.1
129.06989	2.1
130.04150	1.9
131.04936	4.1
133.02858	6.0
133.06485	3.1
135.04465	1.0
137.05963	14.4
138.03133	3.1
144.05713	1.0
145.06494	4.2
147.04385	5.9
147.08023	1.3
149.02460	1.0
149.06029	2.9
151.03862	1.9
151.07581	3.8
153.05450	100.0
154.05852	1.5
157.06488	1.1
159.08018	6.0
161.05975	7.9
162.06812	2.0
163.03911	1.9
163.07513	2.4
165.05481	1.6
165.06946	2.1
167.07034	32.2
167.08441	2.2
174.06795	1.0
175.07506	8.0
177.05502	2.0
177.06990	1.0
178.07693	1.2
178.28740	0.9
179.07039	5.5
179.08476	2.1
181.05060	2.3
181.06493	1.8
185.06001	1.7
187.07520	6.7
188.08344	2.4
189.05428	2.0
190.07799	2.3
191.07001	3.9
191.08578	2.8
193.06706	1.3
193.08624	2.6
194.07254	3.2
195.06339	1.0
195.07930	2.1
199.07555	2.3
202.07707	1.2
203.07025	3.1
203.08685	1.4
205.06468	2.7
205.08496	1.5
206.07236	1.1
207.08104	1.8
208.08797	2.0
209.09645	2.7
210.06790	3.1
211.07545	3.0
215.06908	1.6
216.07916	2.8
217.08488	1.6
218.07309	1.9
219.08052	6.2
220.08786	3.4
221.05954	4.0
221.09435	2.2
222.06758	1.2
223.07462	5.3
224.08348	2.1
225.09090	3.9
226.06241	4.0
233.06020	1.6
234.06761	2.0
235.07532	4.6
236.08333	3.8
237.05307	1.2
237.09138	3.5
238.06133	1.5
238.09865	1.1
239.06960	6.2
239.10707	2.8
240.07889	1.0
241.08606	1.3
247.07433	4.0
247.09700	14.0
248.08171	2.1
249.05354	1.2
249.09177	3.7
250.09863	1.3
251.07126	3.7
251.10625	5.8
252.07693	2.5
253.08589	15.7
254.09270	4.6
255.10184	2.1
261.05432	1.4
263.07083	2.8
263.10672	1.4
264.07892	4.5
265.08545	5.8
266.09290	2.3
267.10205	3.9
269.11658	5.4
275.06900	1.6
276.07831	2.4
277.08630	2.3
278.09290	1.9
279.10110	5.2
280.10736	1.2
281.08130	2.7
281.11731	2.3
282.08936	3.5
283.09592	3.2
289.08640	2.1
293.08093	1.7
294.08878	2.6
295.09634	3.1
296.10468	1.7
297.11154	11.8
307.09540	7.0
308.10242	3.1
309.11218	6.0
311.09213	1.4
311.12628	2.4
313.10617	1.8
319.09500	2.3
321.11212	2.1
323.09406	1.2
325.10648	56.1
326.11075	3.6
327.12161	7.9
329.13831	3.3
337.10651	4.4
338.11292	1.5
339.12219	32.2
340.12790	3.0
341.13791	16.9
351.12088	5.1
353.13974	3.2
355.11813	8.4
357.13293	74.4
358.13608	4.5
369.13428	8.4
371.14850	2.3
387.14294	4.1
458.80032	1.1
499.17081	1.5
517.18286	2.1
535.19836	8.8
547.19250	1.4
797.54730	3.7
798.55280	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	799.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
60.19315	0.2
60.55349	0.3
61.02917	1.2
68.99779	0.6
69.03422	41.2
69.76247	0.3
69.76569	0.7
70.03752	0.4
71.01346	1.7
71.04984	5.6
73.02908	0.4
81.03417	1.0
83.04971	12.4
85.02895	9.4
87.04470	0.8
95.04971	0.8
97.02878	1.1
99.04446	2.4
100.04727	0.3
101.06025	0.4
101.91592	0.2
109.02877	0.8
111.00817	0.6
111.04434	13.4
113.05985	0.5
121.02866	0.9
123.04361	0.3
127.03901	1.3
129.05469	22.7
130.05869	0.3
137.02339	3.7
137.05980	0.7
145.04936	1.0
145.08586	0.9
147.06514	0.3
149.02365	0.6
153.01834	2.9
153.05469	1.1
161.05901	0.3
163.03926	0.8
165.01796	2.2
167.06993	0.3
173.06020	0.3
175.07500	0.4
179.05388	0.3
183.02916	0.5
183.04424	0.3
189.07564	13.2
201.05446	1.2
218.02966	0.3
229.04915	4.0
239.09222	0.5
243.08749	0.4
247.06012	0.7
257.04385	2.7
257.10181	0.7
274.04755	0.7
285.03903	1.2
303.04947	100.0
304.05331	2.8
315.04892	0.5
317.12442	0.9
345.06027	0.9
345.35980	0.3
395.07510	0.4
413.08517	0.7
449.10815	6.0
491.11618	0.4
611.15942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2773
Annotation	Menisporopsin A
Peak:m/z	Relative Intensity
70.06576	0.6
71.41304	0.5
79.25394	0.4
93.48370	0.4
93.71091	0.4
121.02940	0.4
136.78004	0.4
137.05983	1.0
147.82219	0.5
167.07027	3.1
175.03653	6.4
176.04305	0.5
176.86440	0.4
177.05637	0.5
185.04240	1.6
189.05275	0.5
204.03893	0.4
205.04733	0.6
219.05910	0.5
236.33595	0.4
287.08621	0.5
315.82953	0.4
349.63318	0.5
367.10190	0.8
394.13763	0.4
421.12732	1.5
425.12036	2.1
439.13943	1.4
440.14346	6.3
441.14755	0.4
449.14276	0.6
453.15039	1.0
469.20026	0.5
587.17120	1.0
601.18970	2.3
602.19550	1.4
635.21417	0.5
637.22546	4.4
799.27698	100.0
800.28040	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	801.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.5
68.89020	0.3
69.03412	1.0
70.06580	0.4
85.02895	1.1
91.05457	0.5
95.04968	0.4
95.50504	0.3
97.02875	100.0
98.03221	1.0
103.05424	0.4
107.04929	0.5
109.02847	0.5
115.03917	0.3
118.06546	0.4
125.05965	0.6
127.03889	0.6
128.04929	1.1
130.06509	1.3
132.08064	0.4
135.04376	1.0
137.05940	0.5
137.93398	0.3
141.05437	0.6
146.05981	42.9
147.06282	0.9
151.03882	33.3
151.04948	2.0
152.04201	0.3
158.06027	1.7
160.07559	2.0
161.05882	0.4
163.03879	3.0
172.03831	0.4
178.32526	0.3
181.04927	10.2
182.13562	0.4
184.07574	0.6
188.07034	6.8
190.04953	5.6
191.07053	0.8
192.06438	0.4
205.04695	1.3
208.06017	10.2
209.06300	0.3
212.07048	0.9
219.06520	2.1
247.05977	17.6
248.06165	0.3
250.07193	0.3
265.07025	20.9
266.07245	0.8
283.08069	8.9
290.09952	0.4
308.11169	2.0
352.10312	2.8
370.11386	2.8
415.12335	0.5
427.12439	0.4
639.20648	1.8
801.25049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35770	0.8
97.43894	1.3
147.98393	1.0
175.03654	17.7
181.46509	1.0
188.04466	2.7
202.05977	1.7
205.04893	1.3
219.06252	2.5
222.31142	0.9
353.59076	1.0
385.12506	5.5
393.09424	1.9
399.14191	5.4
418.16449	1.0
423.14359	2.2
495.13101	1.8
801.27100	100.0
802.27338	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	801.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.1
62.98915	1.7
64.64788	1.8
67.05509	3.8
69.03405	1.8
73.02925	3.6
79.05499	4.6
80.62038	1.6
81.07035	3.0
85.02905	1.5
91.04004	1.7
93.07037	3.0
95.08607	2.1
97.02893	2.7
101.02423	1.6
102.49026	1.9
109.42610	1.8
133.10063	2.0
179.80933	1.5
219.64256	1.7
242.53096	1.8
333.20587	2.2
377.33124	1.8
381.58676	1.8
396.01355	1.7
491.26376	7.3
510.14053	1.9
801.47485	100.0
802.48114	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	801.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21627	4.7
61.02909	7.5
66.05928	4.3
69.03440	4.6
71.43391	5.1
73.03529	4.7
81.07048	6.7
85.02913	5.0
91.05513	4.9
93.07057	5.7
102.12798	4.3
134.09674	13.6
151.19841	5.0
155.62187	4.9
244.13312	5.7
404.68921	5.1
523.25537	8.3
801.47290	100.0
802.46881	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	801.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.8
61.02921	6.5
63.02714	1.1
67.05491	5.0
69.03423	4.3
69.07072	1.8
71.45673	1.1
73.02908	4.6
79.05484	5.8
81.03413	1.4
81.07061	3.4
85.02879	6.0
85.30181	1.1
91.03954	3.1
91.05489	2.3
93.07041	4.5
95.08604	2.3
97.02885	5.3
99.04423	1.4
105.07020	2.0
107.08598	2.0
109.10134	1.4
121.10156	2.3
135.11777	1.1
159.93080	1.0
164.62073	0.9
184.06946	1.0
243.08464	2.0
253.43353	1.1
296.56403	1.1
313.86819	1.1
333.20428	1.0
349.39719	1.0
389.74249	1.0
491.26282	8.9
551.28632	2.9
602.57135	1.1
801.47418	100.0
802.47906	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	801.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.6
61.02920	7.6
67.05492	7.8
69.03425	3.0
69.07066	2.2
70.76881	0.6
71.01380	0.7
71.04984	0.7
73.02908	4.8
79.05480	5.8
81.03415	1.8
81.07048	5.5
83.08604	1.1
85.02893	7.1
91.03946	4.4
91.05470	4.1
93.07030	6.4
95.04973	1.2
95.08588	4.3
97.02873	6.6
99.04446	1.0
101.02390	2.3
105.07040	2.5
105.85495	0.5
107.08611	2.0
109.02853	0.8
109.10146	2.0
117.07036	0.7
119.04917	0.6
119.08555	1.5
121.10110	3.6
126.50767	0.6
127.03922	1.7
131.08566	1.1
133.10143	1.1
135.11714	0.9
137.05946	3.4
145.10187	1.1
147.11719	0.9
151.07510	0.8
173.13362	0.6
175.21402	0.6
185.04204	0.9
243.08513	2.8
249.50479	0.6
273.02640	0.6
301.08798	0.7
307.22693	1.0
333.20242	3.3
333.27441	0.6
334.98920	0.6
339.26202	0.6
432.38184	0.6
491.26135	10.1
551.28326	3.2
651.03845	0.6
801.47424	100.0
802.47760	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	802.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	1.1
57.03432	3.1
59.04993	21.9
61.02923	3.0
69.03419	23.1
69.52763	4.8
70.06594	1.8
71.04980	2.3
73.06573	2.2
79.05515	1.8
81.03403	14.7
81.07084	1.4
83.04971	67.0
85.02897	32.6
91.05463	10.7
95.04969	3.8
95.44125	1.3
97.02254	2.4
97.02882	38.6
98.03242	1.8
99.04450	4.0
101.05344	2.2
101.06008	28.2
101.06644	2.1
103.05468	3.1
105.07049	2.0
107.04980	4.2
109.02864	16.4
109.06517	2.6
111.04451	3.6
115.03942	2.6
115.05420	1.4
117.07098	1.3
119.04919	7.4
119.07034	14.9
119.07819	1.6
120.08170	1.3
121.06517	3.5
122.03638	2.9
127.03896	24.3
129.07021	5.8
131.04909	7.5
131.08513	1.3
133.06467	2.0
135.08037	3.3
137.05957	56.6
145.04930	19.1
145.06631	1.5
149.05942	6.5
151.03937	3.3
151.07520	51.9
157.06447	6.0
161.05949	10.4
161.09651	1.5
161.85623	1.3
163.03880	3.1
163.06186	2.6
163.07526	24.3
165.06978	2.7
165.09067	3.7
167.07076	2.0
167.08559	4.3
174.06778	3.1
175.06104	2.8
175.07504	12.4
176.07846	1.9
177.09093	21.9
178.07764	1.3
187.05989	3.6
187.07527	2.8
189.09077	16.8
191.06950	1.8
193.06410	2.1
193.10191	2.5
195.08055	10.2
195.09982	2.4
196.26245	1.2
197.05936	1.6
207.10173	2.6
209.07953	6.1
211.07503	1.7
212.08246	1.7
213.09146	1.9
215.09039	2.1
217.08525	1.6
219.10176	4.1
221.06013	4.4
221.09607	4.1
221.11794	5.5
222.06705	1.4
223.07501	4.6
225.09140	4.6
227.09047	6.7
227.10997	11.6
231.10233	1.8
233.10089	2.2
233.27168	1.5
235.07590	1.3
237.08864	1.7
239.10632	1.5
245.10178	48.0
246.10555	1.3
249.09055	4.3
253.08556	7.4
253.12234	8.9
255.10143	14.4
263.11206	8.6
265.08649	2.3
267.10190	3.5
269.08221	2.1
270.08801	1.8
272.10391	1.7
279.09964	1.6
281.11743	3.9
285.11212	9.9
287.12741	19.6
291.09940	1.8
293.11655	2.1
297.11215	3.6
299.12811	3.3
304.05380	2.5
311.12750	5.7
313.14371	16.4
315.12604	1.6
329.14032	1.5
331.15344	100.0
332.15659	3.7
335.13086	1.5
341.13785	2.3
343.11514	1.0
343.15402	25.1
353.13733	1.4
355.15100	3.4
367.15341	2.7
371.18503	3.1
379.15335	2.1
397.16422	5.4
403.15491	2.7
407.15247	2.1
413.19467	3.3
414.20108	1.4
421.16391	10.6
439.17432	3.7
521.21661	2.6
539.22528	4.1
557.23999	8.3
558.24274	1.5
575.24463	3.7
664.05377	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21511	1.1
67.13589	0.9
71.32368	1.1
74.31269	1.0
75.07774	1.0
153.28659	1.0
167.47330	0.9
186.39609	0.9
274.34637	1.2
287.06006	2.4
314.84650	1.0
317.07104	4.0
346.51422	1.1
359.08340	1.2
381.66827	1.1
406.05530	1.1
413.10486	100.0
414.10971	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	803.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
67.37532	0.7
69.34326	2.9
71.04982	0.8
74.53710	0.5
85.02914	1.1
98.65955	0.5
103.05500	0.6
112.08736	0.7
154.05803	0.5
175.03639	13.9
188.04349	3.1
196.03534	0.6
202.06065	1.1
205.04727	2.7
219.06216	3.7
257.04410	4.1
258.05154	0.8
286.04718	1.3
287.05515	1.7
305.43295	0.6
361.10202	0.8
365.10016	1.1
376.75708	0.7
377.10052	1.8
380.12616	1.4
381.12943	0.9
385.12488	8.7
385.16284	0.7
392.12299	1.9
395.10999	2.4
397.12573	0.7
399.14044	11.2
410.13455	2.7
415.13831	0.9
423.14340	2.3
446.48572	0.6
477.11731	1.9
495.12909	8.3
562.44165	0.7
657.18103	2.9
755.52020	0.6
773.27899	1.3
803.28699	100.0
804.29004	9.6
816.42310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54448	0.6
71.42028	0.8
91.05495	0.6
93.07142	0.7
95.24448	0.6
119.37618	0.7
167.07042	1.1
175.03650	15.2
188.04495	2.7
201.05312	0.8
202.06042	1.8
205.04694	8.3
219.06282	3.6
243.54478	0.6
348.77753	0.6
365.10071	0.9
377.10120	2.0
380.12549	1.1
381.12537	0.7
385.12411	7.9
392.12384	1.9
395.10971	3.2
399.14108	12.3
410.13379	3.2
423.14267	2.6
517.19751	0.7
559.89923	0.7
601.19342	0.8
608.22284	2.0
773.27698	0.8
803.28693	100.0
804.29089	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	803.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.0
69.03429	1.9
69.21645	3.9
70.67445	1.0
79.05469	1.9
80.05004	1.5
81.03410	3.8
85.02914	1.5
89.03934	1.2
91.05502	3.0
94.06546	5.0
95.04964	2.3
95.07355	1.3
96.08135	5.5
97.06539	1.7
98.22715	2.1
105.04529	1.3
105.07021	1.1
106.06539	1.6
107.07337	1.8
108.04436	1.1
108.08097	11.3
109.02891	2.7
110.09677	6.9
116.04948	4.3
117.62600	1.0
120.04488	3.1
120.08103	8.3
122.06010	11.2
122.09653	2.7
124.07577	5.4
127.03914	1.4
132.08072	1.2
134.06013	2.4
136.07565	18.0
138.09125	12.4
143.08495	1.1
144.04440	5.9
146.05992	14.6
148.03914	1.3
148.07538	5.2
150.05553	1.1
150.09134	5.1
152.07074	1.8
155.07362	1.2
156.08122	1.1
158.09671	1.8
160.03995	2.2
160.07562	2.5
161.07095	2.2
162.05476	5.7
164.07072	3.8
166.08612	13.2
168.08075	0.9
170.09590	4.7
172.03908	22.3
172.07570	1.7
172.09938	1.3
172.11256	1.4
174.05457	7.1
174.09171	1.3
175.08701	2.6
178.44728	0.9
180.07971	1.3
184.09853	1.3
185.10738	1.3
186.09132	3.2
187.08676	1.6
187.12282	6.2
188.10693	1.6
190.04984	11.2
192.06566	1.2
194.08105	1.2
196.07571	1.5
196.09889	1.4
197.10777	1.6
198.07491	1.5
198.09164	25.6
198.11113	1.7
199.08679	1.3
199.12363	1.3
200.09175	4.3
200.10974	1.5
204.06529	34.2
206.08101	2.9
209.10690	1.2
210.09180	3.1
210.11452	1.1
211.12314	2.9
212.07539	1.2
212.10941	6.6
213.10170	4.4
215.11768	22.2
216.10191	3.2
217.12988	1.1
223.08626	1.4
223.12238	1.2
225.10083	4.9
226.08739	6.8
227.08199	1.7
227.11801	10.2
228.12422	1.0
229.09706	1.7
229.13448	2.4
231.11130	0.9
231.33771	0.9
232.09789	1.9
236.09351	2.1
237.10258	1.4
238.08688	2.2
239.07996	1.1
239.11836	3.3
240.08844	3.2
240.10419	2.8
241.09648	13.5
241.13412	2.3
242.08171	1.1
242.10435	3.6
243.11263	100.0
244.09695	3.1
244.11807	2.3
246.11275	1.9
250.11154	1.2
251.11748	3.0
252.10246	2.3
253.09723	3.9
255.11258	32.6
256.12015	2.8
257.12820	7.7
264.09012	1.3
265.09775	1.2
267.11365	1.2
269.09201	3.4
269.13107	1.3
271.11066	0.9
273.12195	1.5
277.09241	1.0
279.11414	4.7
281.09302	0.9
281.12766	1.4
283.10736	20.6
284.11548	1.8
285.12305	96.3
286.12704	3.0
293.09167	2.1
295.10779	1.8
297.09338	1.4
297.12283	6.0
301.11890	4.0
302.12878	1.2
303.13388	9.3
307.10843	3.9
309.12421	1.9
311.10318	1.5
313.11874	2.1
321.08795	1.1
325.11731	13.0
339.13596	2.6
343.13065	1.9
345.14511	2.8
345.54608	0.9
357.14563	4.7
358.15448	1.4
359.16241	1.9
370.15622	1.4
384.12964	1.1
393.14227	1.8
409.13904	2.4
411.15381	5.5
412.16119	1.5
414.14487	1.7
427.15167	9.1
429.16528	9.6
443.15659	1.0
444.15451	1.8
445.15964	4.4
447.17731	11.5
456.15448	3.7
470.16916	4.5
474.16565	1.7
476.18268	1.4
488.17926	1.1
516.17065	1.2
526.20166	1.2
544.20685	3.7
562.21606	3.6
576.19354	1.6
580.22754	1.5
588.19525	2.8
600.19324	2.3
606.20819	1.7
609.23212	3.1
618.20520	3.0
623.24695	2.1
627.25006	1.1
689.25568	2.6
707.26770	5.0
717.25464	2.6
721.27747	1.0
725.28204	2.3
727.30084	1.0
735.26556	6.5
736.25897	1.1
739.29987	2.5
743.29810	1.2
753.27515	7.5
757.31055	2.4
767.28046	1.6
771.28467	13.0
785.15753	1.4
785.30109	28.4
786.29865	3.1
803.28931	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.0
67.05490	2.2
69.19009	4.3
70.06555	1.0
72.57013	0.9
72.94131	0.8
73.02903	1.1
79.05469	3.0
81.03420	4.2
81.07050	1.3
82.06580	0.9
89.03915	1.0
91.05482	2.3
93.05763	1.3
93.07030	2.0
94.06574	5.1
95.04973	1.9
95.07346	1.5
96.08112	5.9
98.22702	1.8
101.84041	1.1
103.05453	1.0
104.05023	0.9
105.07011	1.0
105.97190	0.9
106.06548	2.0
108.04491	0.9
108.08101	12.1
109.02883	3.2
109.82781	0.8
110.09649	6.0
116.04977	3.3
118.06544	2.3
120.04488	3.0
120.08092	7.4
122.05997	10.5
122.09601	4.3
124.07601	7.1
127.03925	1.4
131.07477	0.8
134.06006	4.3
136.07542	23.0
138.09123	11.6
138.83842	1.0
141.06944	0.9
144.04424	5.7
144.08070	1.7
146.05986	18.3
148.03885	0.9
148.07553	4.4
150.05490	2.6
150.09106	4.7
152.07030	2.4
153.06903	1.0
157.08859	1.4
160.03920	2.5
160.07571	2.2
162.05423	7.4
164.07031	3.2
165.09050	1.2
166.08598	11.2
168.72928	1.0
169.08800	1.3
170.09659	5.0
172.03909	20.5
172.07512	1.5
172.09882	1.2
172.11252	1.7
174.05467	8.4
174.09126	1.8
182.09688	1.1
184.07594	2.2
184.11185	1.4
185.10742	1.3
186.09096	1.4
187.08614	1.8
187.12222	5.2
188.10779	1.6
189.10162	1.0
190.04955	11.7
192.06467	1.5
194.08099	1.3
196.07539	1.8
196.09702	1.1
197.08356	1.8
198.07443	1.4
198.09146	26.1
198.11157	1.9
198.11485	1.4
199.12323	2.3
200.09308	2.2
200.10878	2.2
201.10234	1.2
202.08675	1.2
204.06516	31.4
206.08130	2.4
210.09164	2.5
211.08711	2.8
211.12344	3.4
212.07558	1.2
212.10971	7.5
213.10202	4.0
213.13760	1.1
214.08844	1.1
215.08376	1.1
215.11763	21.3
215.13753	1.7
216.10167	3.6
223.08688	2.1
223.12352	1.3
225.10091	4.3
226.08990	5.1
227.08128	1.8
227.11717	12.1
229.09630	2.7
229.13417	2.2
235.08795	1.9
236.09279	2.5
237.10220	2.1
238.08638	1.3
239.11765	4.1
240.08615	2.7
240.10600	1.7
241.09680	17.7
241.13326	4.2
242.10342	3.1
243.11240	100.0
244.09547	1.7
244.11766	1.7
246.11270	1.3
250.10826	1.5
251.07983	1.4
251.11745	3.7
253.09656	5.5
255.11243	39.2
256.11865	1.7
257.12839	7.8
264.08847	2.2
267.11292	2.9
269.09171	4.8
269.12866	1.3
279.08255	1.7
279.11279	6.4
281.12854	2.2
283.10739	20.9
284.11453	2.6
285.12296	89.9
286.12613	3.9
292.08679	1.3
295.10770	2.4
297.12231	5.0
301.11832	4.4
302.12454	1.7
303.13437	10.0
305.09244	1.5
307.10733	5.3
309.12259	2.3
311.10269	2.5
311.13913	1.4
313.11899	1.5
321.08658	1.6
325.11746	12.6
329.11490	1.8
337.11673	1.3
343.13062	3.5
345.14667	1.5
357.14511	5.8
358.15347	1.5
359.15930	4.3
371.13449	2.1
386.15167	1.9
393.14325	2.2
396.13495	1.3
409.14008	1.8
411.15427	6.4
414.14313	1.9
427.15063	10.4
428.16003	2.2
429.16589	10.2
445.15988	6.9
447.17480	11.7
448.18378	1.2
456.15347	4.5
462.16782	1.1
474.16571	3.4
544.20508	1.8
546.22998	1.4
556.22040	1.3
562.21576	1.0
574.21130	1.1
581.23682	1.8
582.18481	1.4
588.20026	4.5
600.19684	2.2
606.20630	2.6
609.23016	4.0
614.44037	1.3
618.20276	2.8
689.25531	3.7
707.26373	4.4
709.27753	2.0
717.25372	1.8
725.27454	2.1
735.26172	8.9
753.27649	7.9
754.26855	1.3
771.28448	20.3
772.28088	1.8
785.30084	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.7
76.57644	2.6
79.05473	4.0
91.05482	5.1
93.07027	3.6
94.06561	4.5
95.04955	3.9
96.08144	4.8
104.93166	2.3
108.08105	10.3
110.09666	7.3
115.05453	2.9
118.06540	3.0
119.04929	3.4
120.08081	8.1
122.06026	7.8
123.76100	3.1
124.07592	5.1
129.57913	2.5
136.07527	16.7
137.05983	4.0
138.09126	7.2
139.20247	2.5
144.04404	2.9
146.05984	14.0
147.04445	12.8
148.07562	3.9
150.05638	3.2
158.11467	3.1
162.05537	5.1
163.03856	4.4
164.07068	5.0
166.08611	13.0
167.07135	3.8
170.09636	3.8
172.03966	18.8
174.05453	6.2
181.04985	2.9
187.12225	5.2
190.05011	6.7
198.09103	25.1
200.09215	3.0
204.06552	35.7
206.08113	3.2
212.10838	5.6
213.10249	3.0
215.11804	16.9
225.10231	4.1
227.11816	8.5
239.11726	4.2
240.10352	3.2
241.09645	12.9
243.11264	90.1
253.09700	3.2
255.11304	32.0
256.11942	4.7
257.04385	26.5
257.12833	7.0
269.09076	4.4
271.05948	7.6
279.11215	6.3
283.10745	17.6
285.09174	5.7
285.12302	100.0
285.15378	5.6
297.12360	6.3
301.06982	7.5
303.13409	8.1
307.10645	4.2
325.11688	14.7
343.12640	4.0
345.14304	3.0
357.14426	7.4
411.15298	9.7
416.16016	3.9
427.14865	12.6
429.16647	13.7
445.15936	8.0
447.17578	8.8
456.15295	6.9
495.12985	27.7
538.10858	3.6
588.19513	4.3
591.22241	4.4
609.22858	4.4
641.25592	3.0
707.26971	3.5
735.26788	4.7
748.91711	3.2
753.26886	8.8
771.28650	21.7
803.27991	16.5
839.70337	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	803.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27895	1.8
65.76134	1.7
67.05480	2.2
69.03409	3.2
70.00249	2.6
70.00549	2.2
77.90602	1.8
78.32589	1.7
79.05482	1.6
83.10999	1.8
85.02882	4.1
91.05464	2.6
93.07047	4.4
94.06559	5.4
95.07334	3.4
96.08112	4.5
98.23362	2.3
108.08100	7.0
110.09647	9.2
120.08102	5.7
120.98865	1.6
122.06017	6.8
136.07584	9.1
138.09073	8.4
148.07515	2.4
150.36241	1.9
166.08611	11.5
193.91054	1.8
211.08675	2.0
221.10623	1.6
249.10222	15.3
261.09988	2.0
265.09653	2.3
266.58405	1.9
277.09598	9.9
279.11450	2.0
309.12219	8.9
326.12967	3.6
330.12341	2.1
338.12784	2.0
338.16595	2.2
340.10617	3.9
340.14450	4.6
344.13873	2.2
350.12793	2.4
353.11700	3.9
354.12280	7.2
355.13126	4.1
356.13669	4.9
356.17557	1.9
364.14532	3.2
366.15948	3.9
367.13556	3.5
368.14136	11.1
369.14514	6.3
370.15329	3.1
380.14044	2.6
382.11621	4.8
382.15405	7.4
383.16327	2.7
384.17041	9.4
392.13763	3.8
394.15457	3.1
395.12952	2.3
396.13214	8.4
397.13849	3.1
398.18896	8.4
410.14902	7.8
411.14819	2.0
412.16388	9.1
414.14655	3.0
415.15070	2.8
420.12946	2.7
426.13672	2.3
428.16101	5.5
438.14441	23.0
439.14774	2.0
442.17462	3.1
443.57831	2.0
444.19092	5.4
456.15521	40.4
457.15848	2.8
458.17072	9.5
476.18054	30.3
488.18213	18.8
591.22064	5.6
609.23315	22.0
623.24915	21.5
641.25964	100.0
642.25861	6.9
803.30176	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	803.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27878	0.5
65.03951	0.6
65.87531	0.5
67.05497	1.1
69.03434	1.3
70.06609	0.7
71.04980	0.8
74.99085	0.5
77.54845	0.5
79.05504	1.4
80.05027	1.7
81.03409	3.7
85.02912	2.4
89.03927	0.9
91.05494	1.5
93.05795	2.1
93.07047	1.9
94.06558	6.2
95.04977	1.7
95.07343	1.4
96.08126	4.5
97.02895	0.6
103.05477	1.1
106.06555	1.0
107.07353	1.7
108.04484	2.0
108.08115	11.3
108.08817	0.9
109.02901	1.1
110.09685	5.1
114.88238	0.6
116.04986	2.4
118.06518	1.0
120.04435	3.6
120.08099	8.0
121.02868	1.4
121.10275	0.6
122.06020	7.8
122.06843	0.7
122.09689	3.5
124.07610	3.2
127.03954	1.1
130.06560	0.7
134.06049	1.9
136.07553	10.7
136.08461	0.9
137.06006	1.2
138.05550	0.8
138.09119	7.3
144.04459	2.4
145.08617	1.0
146.06001	9.8
148.07552	6.4
150.09164	2.6
152.07135	0.9
158.05959	1.0
160.03966	3.0
160.07643	1.6
162.05563	2.6
164.07103	1.7
166.08629	6.6
170.09679	1.1
172.03908	9.0
172.07486	0.6
174.05496	4.3
176.07079	2.2
184.09940	0.8
186.05530	1.1
187.12323	0.9
188.07092	0.9
190.04974	9.5
197.07053	0.6
197.10788	1.3
198.09322	0.8
199.08696	1.2
202.08685	0.8
204.06648	2.6
204.10211	0.7
209.10689	1.3
211.08727	1.4
212.09430	0.7
213.10263	2.6
215.11870	2.6
222.11345	0.7
223.08778	0.9
223.12401	1.7
224.09499	1.2
225.10188	5.4
226.08742	1.2
226.10938	0.9
227.11836	1.7
229.13377	0.6
235.08768	0.7
236.09439	1.1
237.10182	4.2
238.11002	2.2
239.08315	0.7
239.11812	2.8
241.09673	3.1
243.11298	9.5
245.12862	1.0
249.10190	1.6
251.08147	1.2
251.11765	3.8
252.09023	1.0
253.09802	1.9
253.13429	1.1
255.11282	3.4
257.12900	1.9
262.11115	0.9
263.08228	1.9
263.11969	0.6
264.08945	2.5
265.09738	3.7
266.10620	1.0
267.11343	2.2
269.09311	1.9
271.10864	2.1
273.12427	2.1
277.09857	2.2
279.11255	4.8
280.11966	0.8
281.09476	0.6
281.12961	1.6
283.10721	4.8
284.11517	1.0
285.12302	4.9
287.10300	4.4
295.10901	1.9
297.12448	3.2
302.13101	1.1
303.13467	0.9
307.10907	2.3
309.12460	1.0
311.10544	1.1
313.12057	1.1
314.13168	1.0
316.10880	1.7
316.14563	1.6
318.12604	0.8
318.16138	1.3
323.10318	1.2
325.11700	4.6
327.13599	1.2
328.10953	1.0
328.14697	1.5
329.11938	1.3
330.12454	2.9
330.16104	1.1
331.13397	1.6
332.14008	0.8
337.12155	0.7
339.13669	1.3
342.12411	1.4
343.13190	1.8
344.14014	2.0
345.14767	2.2
346.15424	3.0
354.12286	1.1
354.16302	0.8
355.12927	0.9
356.13916	1.7
357.15085	1.2
358.15521	3.9
359.12619	0.7
360.17215	1.2
367.13272	0.6
370.11746	1.0
370.15887	0.8
371.12793	1.4
372.13483	2.4
373.14307	1.3
374.14880	4.0
375.15472	0.7
376.16486	0.8
385.14557	1.7
386.14920	4.8
387.15823	2.1
388.16559	1.8
390.14276	0.8
396.13370	1.1
397.14154	0.7
398.15500	0.8
400.16702	1.6
402.13986	3.1
404.16156	2.6
406.17245	0.7
409.91818	0.6
410.15219	0.8
411.15201	0.9
414.14282	8.2
415.15115	5.8
416.16187	2.3
420.15289	0.9
428.16183	2.5
429.16702	1.2
430.17773	1.0
432.15347	3.1
433.16446	1.2
438.14490	0.8
446.17285	1.7
447.17828	1.1
456.15659	2.2
458.17267	1.1
474.16901	1.6
490.20477	0.8
498.16260	0.9
500.18246	0.8
502.20044	0.9
512.17981	0.8
530.19373	0.7
539.22809	1.0
546.19672	0.7
548.20270	1.5
550.21710	1.8
558.19055	1.1
564.19446	1.7
570.19000	0.8
576.19586	6.1
582.18878	1.2
588.19763	1.5
590.21497	0.8
595.26508	0.7
600.19617	2.1
606.21002	2.3
609.23346	2.0
618.20630	6.5
627.24335	0.8
638.23157	0.7
669.25714	1.5
701.28174	0.7
707.26709	1.7
725.27942	2.3
727.29370	4.4
729.27185	5.7
735.26825	4.0
743.29126	4.6
753.27740	5.7
771.28619	100.0
772.28888	8.4
803.30835	4.8
804.31250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	2.7
69.13171	2.8
69.13577	5.1
73.02288	1.3
79.05495	1.3
79.47529	1.2
81.03410	1.6
85.02901	1.4
93.07045	2.4
94.06554	2.1
95.04937	1.3
96.08097	2.4
98.23427	2.7
105.06982	1.4
108.08122	5.1
110.09684	4.5
116.04975	3.4
120.08076	3.8
122.06011	6.2
124.07588	4.6
136.07555	9.6
138.09102	6.2
144.04399	6.9
146.05975	3.4
147.04405	2.8
148.07526	1.9
161.28085	1.3
162.05519	4.3
166.08632	10.5
172.03912	50.2
174.05428	1.3
190.04942	9.4
198.09117	5.5
204.06525	100.0
205.06909	2.3
213.10191	2.2
214.10809	1.5
215.11749	1.3
227.08099	1.9
227.11838	1.5
229.13495	1.2
241.09683	3.2
242.10504	7.1
243.11256	13.2
248.09088	1.2
249.10127	2.4
255.11295	4.0
256.11810	3.1
257.04349	3.9
257.12332	1.5
279.11218	2.7
284.11505	4.6
285.12247	20.9
297.12283	3.3
301.11728	1.6
309.12103	1.9
325.11743	12.1
327.13058	1.5
329.15134	1.7
343.12738	3.6
356.13748	1.5
357.14383	30.8
358.14856	2.4
382.15518	2.2
410.14981	1.6
438.14441	3.2
456.15460	4.1
476.18219	2.4
487.17151	9.6
488.17728	2.8
495.12689	8.3
519.19397	2.3
537.41980	1.3
591.22522	1.5
609.22900	5.6
623.25092	2.6
641.26111	9.1
771.27679	4.9
803.28052	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05466	16.1
85.02879	23.2
95.04951	35.5
105.07002	11.9
107.74203	9.4
109.15134	10.6
120.73083	10.7
122.06017	79.3
125.98992	10.8
145.04886	11.4
150.05493	19.6
161.05968	12.7
173.84377	9.9
177.98344	11.3
178.42012	10.2
211.12236	10.3
255.11252	20.0
265.09631	18.4
265.13193	14.6
325.11447	15.9
464.59021	12.7
561.24048	16.1
563.26233	22.0
621.27393	62.6
623.28381	71.7
655.30658	49.4
691.27448	11.7
713.55194	14.1
754.32007	15.4
772.31958	38.6
799.39075	15.7
804.33875	100.0
804.46710	32.2
805.35876	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	805.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25983	1.1
67.64645	1.0
70.21606	1.1
71.30579	1.1
75.40204	1.0
137.05946	1.5
151.07564	1.2
159.04248	3.2
167.07132	3.3
175.03650	18.1
177.05391	1.3
181.05110	1.3
195.03183	1.7
205.04710	50.0
218.05486	2.2
336.50525	1.1
385.57974	1.3
395.14594	1.7
408.69296	1.0
413.15897	1.9
414.16190	2.1
425.15823	1.4
429.15839	1.4
608.22180	3.5
736.09082	1.1
760.02600	1.1
790.26831	1.3
805.30176	100.0
806.30670	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	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46465	1.1
63.61897	1.2
69.03414	2.7
69.60107	5.2
81.03403	2.0
85.02887	2.9
87.40095	1.2
91.05470	1.8
93.07038	2.0
94.06554	5.3
95.07331	1.4
96.08111	3.8
97.02882	1.5
107.07265	1.4
108.08108	8.5
109.02871	1.3
110.09667	5.6
116.04999	2.4
120.04483	3.7
120.08069	7.2
122.06058	6.6
122.61279	1.2
124.07552	5.1
127.03890	2.1
134.06012	3.5
136.07562	10.5
138.09131	8.0
144.04407	5.3
146.06001	5.2
148.07556	3.8
152.07018	1.9
160.03960	3.1
162.05455	3.5
164.06956	1.5
166.08603	13.3
167.07028	2.8
172.03923	23.6
174.05540	3.2
176.07065	3.9
190.04988	16.8
193.83466	1.4
196.09816	1.3
197.10666	1.4
204.06544	43.9
205.06807	1.4
211.08565	2.2
223.08725	1.8
224.09543	1.7
225.10274	7.3
227.11732	11.2
227.37146	1.3
235.08612	1.2
236.09380	2.5
237.10210	3.9
239.11728	3.2
249.10085	1.9
251.11861	1.8
253.09674	4.8
264.08917	3.1
265.09677	1.4
267.11218	3.6
269.12793	14.2
271.10699	9.8
273.12268	2.4
277.09460	1.5
279.11136	4.1
281.12628	2.6
283.10733	5.0
284.11395	2.6
285.12204	4.1
287.13809	11.2
295.10788	2.5
297.12341	8.1
299.13821	4.4
307.10754	1.9
312.14999	1.6
314.12759	1.7
315.13577	1.6
316.14282	1.8
317.15158	1.5
321.12192	1.7
323.10095	7.2
325.11707	18.4
327.13309	3.5
327.17368	1.4
328.10739	2.2
328.14294	2.7
329.11237	1.5
329.14972	2.2
330.12479	1.6
330.15994	3.0
341.11618	1.6
342.12302	6.2
343.13071	7.4
356.13959	6.3
357.14465	22.5
358.15192	4.3
369.14746	1.3
370.15619	4.4
382.11914	4.1
383.12485	2.5
384.13217	3.6
385.13922	2.7
386.18823	2.7
390.18082	4.4
398.14999	16.1
399.15765	25.3
400.16266	2.6
402.18353	1.8
404.16031	5.5
412.16428	2.0
414.17877	5.8
416.15939	15.7
428.16003	3.4
430.17429	2.9
440.16000	7.4
446.16995	7.3
458.16980	25.4
459.17249	2.5
478.20200	2.0
487.17059	7.9
490.19623	10.5
565.22803	1.4
567.25421	1.6
569.23706	3.5
593.23810	6.2
595.26068	1.4
611.24927	100.0
612.25201	7.5
643.27600	13.2
644.27686	1.9
773.30298	22.2
774.29626	2.2
805.44153	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	805.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.9
69.03433	1.9
79.05486	0.9
82.06593	1.2
85.02919	1.5
86.04937	0.8
89.03896	1.1
91.05442	1.0
93.05744	1.0
93.07042	1.4
94.06567	3.6
95.07320	1.3
96.08112	3.4
97.02870	1.2
99.73000	0.9
106.06538	1.6
108.04428	1.6
108.08109	8.0
110.09665	7.5
116.04943	4.5
120.04475	3.3
120.08090	6.4
122.06008	4.9
124.07604	2.1
131.37320	0.9
134.05978	2.6
136.07564	9.5
138.09111	9.5
144.04422	7.0
146.05963	5.1
148.07567	3.0
150.09129	1.0
152.07056	2.2
160.03954	3.3
162.05482	6.0
164.07028	1.9
166.08629	13.9
167.07149	0.9
172.03918	53.1
173.04250	1.5
174.05548	2.0
176.07088	2.7
185.10762	1.0
190.04980	11.8
197.10748	2.2
199.12183	1.6
204.06540	100.0
205.06870	3.2
209.10710	1.4
211.08685	3.8
212.09462	2.5
213.10054	1.1
214.10986	1.1
223.08684	1.4
224.09438	1.2
225.10193	7.8
227.11752	10.9
236.09518	1.3
237.10178	2.9
238.10976	1.1
239.11763	2.7
241.13246	1.1
249.10222	2.2
250.10939	1.3
251.11830	1.7
253.09769	4.9
255.11276	1.3
263.11853	1.8
264.08939	4.1
265.09689	1.6
265.13321	0.9
266.10519	1.1
267.11334	2.2
269.12784	9.7
271.06067	1.8
271.10757	9.3
273.12387	2.8
277.09784	2.5
279.11209	3.3
283.10684	4.2
284.11578	3.9
285.12341	4.6
287.13889	20.0
294.09924	1.0
295.10641	1.4
297.12296	5.3
299.14136	1.5
312.15054	1.0
313.13052	1.0
314.12836	1.8
315.13507	1.8
323.10117	6.6
325.11810	11.1
326.16666	1.4
327.13437	2.6
328.10785	3.2
328.14474	2.4
329.11456	1.1
329.15021	2.6
330.12375	1.0
330.15961	2.2
331.17197	1.3
342.12286	6.3
342.15842	2.1
343.12964	5.4
344.13757	1.4
344.17676	1.1
352.14313	1.2
354.16187	1.3
355.13156	2.1
356.14044	5.5
357.14441	45.4
358.15088	3.5
367.12915	1.2
370.15451	3.0
372.17261	1.7
381.61353	0.9
382.11932	4.8
383.12616	1.9
384.13129	5.9
385.14191	2.2
386.14447	2.2
386.18719	3.2
390.18173	3.0
397.14511	1.1
398.14908	16.7
399.15717	24.4
400.16370	2.8
402.18030	1.6
404.15878	5.8
412.16287	1.3
414.18195	3.9
416.15973	14.8
417.16028	2.1
422.16754	1.7
430.17511	2.7
440.15826	6.3
446.16846	7.0
458.17099	21.5
478.19559	3.5
487.16739	1.8
490.19717	13.5
565.24786	1.7
569.23914	3.3
593.23767	3.2
611.24939	97.7
612.25067	7.3
625.26025	1.3
643.27545	52.2
644.27917	5.2
773.30341	8.6
805.28046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	0.6
65.03920	0.9
67.05496	1.6
69.03429	2.6
69.17344	4.0
70.06593	0.7
71.04999	0.9
79.05473	1.3
81.03405	1.4
81.07016	0.9
82.06561	0.9
85.02886	3.8
88.51400	0.7
89.03868	0.8
91.05475	2.2
92.05025	0.8
93.05796	0.8
93.07038	3.0
94.06543	6.3
95.04974	1.0
95.07350	2.3
95.08624	0.7
96.08126	5.1
97.02881	2.0
98.22709	1.5
99.04452	0.6
105.06998	0.6
106.06570	1.7
107.07310	0.8
108.04469	2.6
108.08102	11.3
109.02879	1.1
110.09670	7.0
116.04976	2.5
118.06478	0.8
120.04464	3.5
120.08083	8.0
122.06009	5.3
122.09679	1.2
124.07567	5.9
127.03878	0.9
132.04509	0.8
134.06018	3.4
136.07553	11.1
136.08484	1.0
138.09119	9.4
144.04390	5.2
146.05966	6.5
148.07599	3.8
150.09135	1.5
152.07063	2.5
157.81415	0.7
160.03938	3.4
162.05502	3.0
164.07071	2.4
165.09084	1.1
166.08620	19.2
167.07173	1.4
172.02423	1.3
172.03908	23.8
172.07614	1.7
174.05551	1.7
175.03673	0.9
176.07083	2.8
182.09726	1.1
183.09117	0.8
184.09999	1.0
186.05461	1.2
190.04967	18.8
190.06618	1.2
196.09862	0.8
197.10789	2.0
199.08714	0.7
199.12271	2.2
204.06529	40.8
205.04860	1.0
205.06804	0.9
207.09171	0.7
208.09804	0.7
209.10773	1.6
210.07732	0.9
210.11342	0.8
211.08740	2.9
211.12193	1.1
212.09457	2.5
213.10156	1.2
223.08736	1.3
223.12491	0.8
224.09406	1.4
225.10193	7.8
226.10867	0.8
227.11736	13.7
235.08604	1.2
236.09445	2.6
237.10262	3.0
238.11032	1.9
239.11684	3.6
241.09773	1.3
241.13303	1.5
243.11313	1.1
249.10260	2.6
250.10966	1.2
251.08096	0.9
251.11768	4.2
252.08891	1.1
252.12485	0.8
253.09660	6.1
253.13524	0.7
255.11261	2.1
262.11023	0.7
263.08212	1.3
263.11780	1.2
264.08936	2.5
265.09732	2.3
266.10474	1.5
267.11328	3.3
269.12830	15.6
271.10706	9.5
273.12366	4.5
277.09738	1.7
278.10568	0.9
279.11237	6.1
280.12061	0.8
281.09637	0.7
281.12875	2.2
283.10818	6.0
284.11353	4.5
285.12222	4.6
287.13837	13.5
287.16824	0.9
289.09924	0.8
289.13324	1.1
295.10767	2.3
297.12259	9.8
299.13977	4.3
301.12732	0.7
307.10846	3.1
309.12320	1.3
311.14307	1.6
312.14975	2.2
313.12964	2.3
314.12967	2.6
315.13754	1.6
316.10904	1.4
316.14435	2.0
319.10712	0.9
321.08691	0.8
323.10196	6.1
325.11761	19.0
325.15598	1.4
326.12375	1.4
326.16562	1.5
327.13522	2.8
327.17194	1.2
328.10849	2.4
328.14569	2.9
329.14914	1.3
330.12415	0.9
330.16016	3.0
331.16583	1.2
335.10452	0.6
337.11856	1.5
339.13870	1.6
340.14545	1.4
341.11868	1.8
342.12228	7.7
342.15408	0.9
343.12912	6.9
343.16467	0.8
344.13892	1.5
344.17661	1.0
345.14893	0.8
353.12402	0.9
354.16220	1.0
355.12936	3.1
356.13943	5.7
356.17538	0.8
357.14420	14.2
358.15329	4.3
366.15912	0.9
367.13486	1.5
368.13983	1.0
369.14960	1.3
370.15457	5.9
371.16068	1.3
372.17126	1.1
378.17969	1.6
380.13901	1.8
382.11752	4.2
383.12631	3.4
384.13135	5.5
385.14200	2.4
386.14865	2.7
386.18750	2.5
388.16580	1.7
390.18118	2.7
394.15369	0.9
397.14551	1.2
398.14917	16.0
399.15741	24.4
400.16245	2.5
402.18320	1.2
404.15836	5.1
412.16528	1.8
414.18106	3.6
416.15930	16.3
417.16553	1.7
422.16852	2.9
428.16077	3.1
430.17453	4.2
440.15994	6.8
441.14545	1.9
446.17068	11.2
448.18713	0.8
458.17023	30.0
459.17502	2.0
478.19727	2.2
487.17056	6.9
490.19653	9.4
519.19385	1.0
520.20544	1.6
522.22058	1.0
539.26324	1.2
565.24695	1.2
567.25916	1.8
569.23846	4.0
583.25092	1.4
593.23822	7.2
611.24890	100.0
612.25281	6.8
625.26434	0.8
626.24634	2.5
643.27545	9.1
644.27551	1.2
650.23840	0.9
682.25916	1.0
684.27795	0.9
727.30609	0.7
729.31134	0.9
736.82208	0.8
737.27582	0.9
745.29706	1.2
755.29041	1.3
773.17285	1.2
773.30316	16.0
774.30420	2.4
794.56335	0.7
805.29443	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	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.1
67.05476	1.1
68.05547	0.8
69.03413	2.2
73.02898	1.1
79.05468	3.1
80.05018	1.4
81.03410	2.6
85.02893	3.7
91.05454	2.5
91.83202	0.8
93.07035	2.4
94.06566	8.0
95.04979	1.4
95.07332	1.8
96.08112	6.5
97.02873	3.1
97.06519	1.1
103.05441	1.3
105.04524	1.0
106.06540	1.5
108.04491	2.1
108.08105	10.9
110.09673	13.0
116.04977	2.4
120.04448	2.7
120.08090	9.6
122.06020	8.3
122.09678	2.7
123.06858	1.0
124.07551	5.2
134.05988	2.3
136.07561	14.0
137.05943	1.3
138.09113	14.1
144.04396	3.7
146.05994	6.0
148.07545	5.9
149.05841	1.0
150.09077	3.1
152.07048	3.0
160.03899	2.8
162.05522	2.9
164.07019	1.9
165.09109	1.3
166.07259	1.7
166.08620	28.4
167.08936	1.0
168.08136	0.9
172.03915	23.2
174.05409	2.5
176.07004	2.9
177.05420	1.2
182.09590	1.5
182.15306	1.2
183.09123	1.5
190.04967	15.1
196.07692	1.0
196.09785	1.2
197.10677	2.2
199.12321	1.8
204.06535	39.7
205.04807	1.9
205.06801	2.0
206.47626	0.8
209.10744	2.5
211.08653	3.7
211.12297	1.1
212.09294	1.2
213.09984	1.1
221.10670	1.5
223.08673	2.1
223.12186	1.6
224.09366	1.9
225.10197	8.4
226.10809	1.6
227.11732	11.3
235.08592	2.7
235.12225	1.3
236.09496	2.6
237.10181	7.9
238.11037	3.3
238.63545	0.8
239.11690	7.0
240.12410	2.0
241.13368	1.8
243.11266	2.4
244.11745	1.2
247.08690	1.2
248.09413	1.6
249.10219	9.2
250.10999	7.9
251.11754	10.6
252.09082	1.3
252.12354	1.2
253.09656	6.0
253.13242	0.9
255.11311	2.9
261.10214	4.0
262.10965	3.6
263.08383	1.7
263.11768	20.4
263.14505	1.3
264.08887	5.2
264.12280	3.0
265.09778	6.1
265.13208	3.1
266.10477	2.1
267.11282	4.4
269.12796	15.8
271.05960	3.1
271.10699	8.3
273.12292	3.7
277.09686	3.7
278.10364	2.6
279.11227	22.4
280.12021	1.5
281.12799	3.4
282.09903	1.5
283.10742	6.7
284.11392	4.8
285.12314	5.9
286.13019	1.9
287.13831	13.4
289.09769	1.8
290.10318	1.1
291.11258	12.2
292.11954	1.6
293.12750	5.7
294.09833	1.7
295.10721	3.8
296.11566	2.0
297.12332	9.3
299.13968	4.9
301.06927	1.6
307.10773	8.7
309.12323	10.0
310.13037	1.2
311.13776	2.3
312.14822	2.2
313.12137	2.0
314.12888	2.8
315.13837	1.7
316.10928	1.4
316.14493	1.2
319.10669	5.9
321.08334	1.2
321.12292	1.6
323.10184	8.0
323.13815	3.1
325.11765	24.3
326.12473	1.5
326.16455	2.3
327.13507	3.7
328.11011	2.3
328.14310	2.4
329.15250	1.4
330.12299	1.2
330.15872	2.8
331.16742	1.6
335.10245	4.3
336.10907	2.7
337.11792	24.6
338.12314	1.8
339.13474	3.1
340.14487	1.9
341.15070	1.6
342.12250	5.3
342.15945	1.8
343.12961	5.4
354.12341	1.6
354.16293	1.1
355.12946	10.0
356.13754	6.6
357.14423	35.5
358.15210	4.9
365.11288	1.6
367.12836	9.7
368.13516	2.3
369.14423	11.9
370.15668	6.2
371.16034	1.9
378.18094	1.4
382.11740	2.6
383.12439	2.9
384.13321	4.1
385.14197	2.5
386.14651	2.5
386.18640	2.5
388.16391	1.2
390.17953	2.7
398.14966	18.2
399.15729	26.3
400.16245	3.9
402.18188	1.3
403.18719	3.0
404.15771	4.9
412.16794	2.1
414.17966	3.9
416.15955	18.0
417.16489	1.5
422.16794	2.9
428.15900	3.0
430.17450	4.5
431.18332	1.2
440.16138	7.3
442.17279	1.4
444.19150	1.4
446.16864	10.0
447.17487	1.3
448.18469	1.6
458.17029	29.7
459.17450	1.8
460.18777	2.0
478.19559	4.8
487.16791	9.3
488.17914	2.9
490.19653	17.9
491.20007	1.2
502.19690	1.4
504.21375	1.2
520.20715	26.8
521.21472	5.7
522.22266	73.4
523.22589	6.2
565.23834	1.2
567.25439	2.2
569.23657	3.2
583.25360	1.7
593.24292	6.4
611.24921	100.0
612.25439	9.0
625.26349	1.8
643.27490	20.6
644.27838	1.5
650.23267	1.3
652.24860	2.6
682.25366	3.8
683.26147	1.7
684.27368	14.3
755.28729	2.6
773.30157	25.6
774.30267	2.1
805.08722	1.4
805.30463	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	805.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57770	1.0
65.03938	2.3
67.05495	4.9
69.03434	2.2
71.44190	1.7
79.05482	2.9
81.03414	2.3
81.07045	2.9
85.02892	1.5
86.24651	1.1
89.03928	2.1
91.05470	4.2
93.05760	1.3
93.07037	4.6
94.06534	7.0
95.04948	2.7
95.07324	1.9
95.08593	1.8
96.08119	6.2
97.02893	2.2
103.87038	1.1
105.03379	1.2
106.06584	1.7
107.07310	1.8
107.08645	1.3
108.04462	1.3
108.08109	9.4
109.02900	4.3
109.10118	1.5
110.09671	6.3
116.04971	4.0
117.05812	1.1
118.06522	2.2
120.04465	1.9
120.08083	6.4
121.10133	1.2
122.06029	17.8
122.09643	2.0
124.07573	15.9
126.05500	1.3
132.04512	1.1
134.06035	2.6
136.07559	96.9
137.07913	1.9
137.09653	1.8
138.09120	13.4
140.07101	1.4
140.68260	1.1
144.04433	12.0
146.05988	12.8
148.07526	6.7
150.05458	1.7
150.09114	3.3
152.07053	9.0
155.08501	1.2
160.03943	9.9
162.05487	6.7
163.03900	1.6
164.07042	100.0
165.07472	2.7
165.09099	1.8
166.08615	14.2
167.07027	1.6
171.11647	1.2
172.03915	47.6
174.05498	8.7
176.07059	1.8
178.05042	1.5
181.04958	1.6
182.08142	3.3
190.04955	21.0
190.06589	1.2
191.05511	1.6
202.08620	1.2
204.06544	76.9
205.06793	1.9
206.08125	1.3
214.08463	1.5
216.10114	2.5
223.12285	2.9
225.10132	2.2
226.10866	1.2
227.11752	3.2
236.09169	1.9
237.10240	2.0
239.11829	2.4
243.11336	3.5
244.09727	1.6
248.96779	1.3
251.11824	3.5
253.09660	2.4
255.11156	2.0
257.12787	1.9
264.08923	1.9
265.09720	2.0
267.11322	1.8
269.12723	2.7
277.09830	1.8
279.11276	6.0
281.12885	2.4
285.12311	4.1
287.13889	4.4
290.10315	2.6
293.09409	1.5
295.10782	2.0
297.12354	9.3
298.12952	1.2
299.14084	1.9
307.10760	5.2
308.11276	5.7
309.12311	2.0
325.11774	26.0
326.12241	9.1
337.11612	2.6
339.13177	3.3
343.12894	4.8
355.12762	1.3
357.14377	18.2
358.15051	1.6
395.16156	1.9
399.15762	1.9
413.16904	3.2
431.18213	1.7
433.18060	1.2
458.17429	2.1
460.18552	1.7
472.18350	1.4
490.19431	1.3
522.22095	2.2
590.21497	5.5
602.21045	1.5
608.23309	1.8
611.24982	5.5
614.21118	1.6
616.22516	1.7
620.22675	2.3
622.23114	1.5
632.22821	1.6
633.35254	1.3
634.23499	1.9
638.23438	1.2
650.23151	8.5
652.24854	6.4
709.28333	3.3
737.28027	8.2
745.30005	1.4
755.28461	4.1
773.30383	20.3
774.30042	2.1
787.31982	6.0
805.28998	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	805.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23753	0.8
65.03936	1.0
69.03425	3.2
69.65018	2.5
79.05485	2.5
81.03403	2.2
85.02909	2.3
89.03915	1.1
91.05479	1.5
92.05067	0.9
93.07065	2.9
94.06561	4.6
95.07365	1.9
96.08121	5.3
97.02904	1.9
103.05476	1.5
106.06551	1.9
108.04462	2.1
108.08099	8.9
109.02905	1.1
110.09663	7.8
116.04984	3.5
118.06556	1.1
119.04897	1.2
119.07313	0.8
120.04478	3.6
120.08086	6.8
122.06017	6.6
122.09670	1.7
124.07573	4.2
127.03946	1.3
131.44153	0.8
134.05980	4.1
136.07573	13.4
137.05992	2.0
138.09106	10.3
139.95006	0.7
144.04424	7.8
146.05986	5.9
148.07552	6.1
150.09113	1.9
152.07108	3.3
160.03986	2.8
162.05522	6.6
164.07045	5.9
166.08611	18.4
167.07060	2.0
172.03914	51.4
173.04303	1.5
174.05539	2.2
175.03609	3.7
176.07028	4.5
177.05501	0.9
178.05006	1.2
184.09955	1.1
190.04961	13.0
190.06595	0.9
197.10791	2.1
199.12302	1.5
200.10808	1.0
204.06532	100.0
205.04779	8.1
205.06934	2.5
211.08711	3.6
212.09328	1.4
213.10107	1.1
219.06174	1.0
223.12360	1.2
224.09473	1.7
225.10158	7.1
226.10887	1.4
227.11729	12.3
229.13480	1.0
236.09360	1.4
237.10281	2.7
238.11041	1.4
239.11792	4.0
241.09682	1.8
241.13470	1.3
249.10284	0.9
250.10976	1.1
251.08087	1.5
251.11772	4.4
253.09721	5.8
255.11383	2.5
263.11920	3.2
264.08975	2.7
265.09732	3.7
266.10538	1.6
267.11356	2.8
269.12854	8.2
271.06033	5.6
271.10651	8.1
273.12424	3.4
277.09717	1.4
279.11292	6.6
281.13016	2.4
283.10910	3.3
284.11411	4.9
285.12341	6.0
286.13235	1.7
287.05591	1.5
287.13861	18.3
288.14185	1.2
291.11453	0.9
293.09152	1.2
293.12939	0.9
295.10724	1.8
297.12308	8.9
299.14066	2.4
307.10730	2.1
308.11533	1.0
309.12479	2.8
311.13995	1.2
312.15094	1.6
313.11945	1.0
314.13126	1.5
315.13858	1.8
316.11200	1.3
316.14670	1.4
321.08850	0.9
321.12427	1.8
323.10263	6.6
325.11752	11.3
326.16599	1.4
327.13629	2.7
328.10870	2.4
328.14529	2.0
329.15121	2.3
330.15970	2.0
331.16855	1.5
337.11960	2.6
339.13651	1.9
342.12161	4.2
343.12869	5.0
344.14090	1.6
344.18030	0.9
352.14304	1.0
353.11539	1.1
354.16138	1.5
355.13297	1.9
356.13907	5.2
357.14392	32.0
358.15231	5.1
366.15851	0.9
369.14813	1.4
370.15555	4.8
371.16418	1.4
372.17404	1.6
378.18097	1.0
379.11453	0.9
382.11710	3.8
383.12506	2.2
384.13470	2.4
385.13528	3.2
386.14581	1.3
386.18872	3.4
390.18124	2.2
394.15332	1.2
398.14987	15.1
399.15710	25.1
400.16403	3.4
401.13681	1.4
404.15964	4.8
412.16238	1.9
414.18289	3.0
416.15961	14.2
422.16898	1.4
425.15967	1.2
428.16281	2.2
430.17712	3.2
440.15836	6.1
446.17136	7.3
447.17459	0.9
448.18668	1.3
458.10684	1.7
458.17056	23.5
459.17255	1.5
460.18802	1.1
478.19858	2.5
487.17444	1.4
488.18188	2.1
490.19601	14.6
520.21216	1.3
522.22491	2.5
523.23297	0.9
565.24756	1.6
569.24023	3.6
583.25513	1.1
593.23846	6.9
611.24927	83.3
612.24921	6.8
625.26520	1.4
626.25537	1.3
643.27661	20.7
644.27631	1.5
650.23120	3.8
682.26141	1.6
729.30682	1.0
755.29065	1.9
773.30066	6.9
805.30157	39.5
806.30988	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	806.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25560	0.8
62.31760	0.7
65.03947	0.9
69.03425	1.4
69.18506	2.3
69.18913	1.9
79.05487	3.0
85.02896	3.1
91.05456	5.3
93.07014	3.7
95.04958	3.4
97.02895	1.7
103.05444	2.3
105.07017	9.1
106.41604	0.8
107.04939	8.5
109.06450	0.9
111.04437	1.1
115.05430	3.0
117.07006	3.6
119.04956	2.5
119.08548	1.7
121.02877	1.0
121.06492	6.0
122.47427	0.9
123.04390	3.9
123.08044	1.0
124.05231	1.2
125.06035	0.8
129.06985	5.9
131.04947	4.2
131.08574	2.8
133.06482	10.9
135.04433	1.0
135.08067	2.5
136.03917	0.9
137.05971	4.8
140.04671	2.7
143.06023	1.4
143.08607	1.4
145.06483	2.1
147.04468	1.0
147.07956	1.2
149.05946	2.0
149.09641	0.9
151.03909	1.3
151.07521	11.2
152.04749	1.3
153.05411	3.7
155.07016	3.2
157.06471	6.3
160.05174	1.3
161.05963	21.4
161.09598	5.7
162.06645	2.6
163.07521	5.5
165.05525	1.4
165.09058	2.6
166.06267	2.9
167.07019	43.9
169.53613	0.8
171.08067	1.7
174.06755	4.4
175.07541	10.6
176.08058	0.8
177.09091	100.0
178.06314	1.0
178.09447	2.8
179.07034	1.9
179.08514	1.6
180.56245	0.8
181.08580	28.2
181.73624	0.7
182.07243	0.9
183.08139	1.2
184.64029	0.7
189.07303	1.4
189.09067	27.5
191.06973	3.1
193.08585	48.8
194.07201	1.1
194.08893	1.3
195.08092	2.7
195.10162	4.4
197.09627	1.8
199.77690	1.1
203.10684	3.0
207.10130	4.7
208.08856	1.1
210.06718	1.4
211.07530	1.1
219.08026	2.7
219.10184	3.8
221.05991	1.3
221.09731	1.1
221.11702	24.4
223.07518	2.2
225.09007	5.6
227.07066	1.5
235.09477	1.2
236.08319	1.6
240.07845	1.5
241.08554	1.5
247.07410	1.8
251.07021	1.8
251.10648	2.3
252.07773	0.8
253.08611	4.9
254.09187	1.4
255.10199	2.6
257.11755	5.4
265.08551	2.2
267.09866	1.3
267.12344	7.8
268.07269	0.9
269.08124	2.4
270.08914	1.6
279.10104	1.9
281.11633	0.8
283.09641	4.8
283.13159	3.2
285.11194	8.3
295.09628	0.9
296.10446	1.3
297.11032	1.8
299.09390	1.0
299.12659	2.1
299.88385	0.9
302.11612	1.6
309.11075	1.2
311.12671	2.6
314.11444	1.2
315.12210	6.1
316.13116	1.0
317.13715	5.3
328.13138	1.1
329.13766	3.2
331.15332	1.3
341.13644	2.1
343.15387	7.2
346.14124	2.5
357.17032	1.0
358.13873	1.1
359.14764	2.7
360.15585	16.4
361.16391	46.4
362.16739	1.6
372.15613	2.4
373.16492	3.3
375.17957	4.2
393.29285	0.8
435.20108	86.1
436.20398	4.4
447.19901	3.3
449.21500	2.4
465.20953	1.3
656.84430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.5
61.02914	7.8
69.03067	1.0
69.03416	13.8
71.42473	0.8
73.02895	2.7
79.05486	0.8
81.03409	5.6
81.07005	0.9
85.02892	100.0
87.04454	2.1
91.03939	4.7
95.08607	1.4
97.02875	30.9
99.04445	3.0
99.46158	0.7
100.05472	0.9
101.02381	1.5
105.07006	1.3
107.08547	1.0
109.02873	9.8
109.10138	0.8
115.03876	1.2
119.08523	1.2
127.03899	27.5
145.04939	55.5
147.11678	1.2
158.67281	1.1
163.05988	26.0
163.07307	1.7
164.61890	0.8
184.17200	1.0
225.56599	0.9
231.41479	0.9
247.08231	0.9
257.22592	6.0
271.07941	1.0
289.09082	2.5
303.23175	3.8
325.11292	11.0
513.75818	1.0
647.05688	0.9
738.86188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.2
65.95046	6.4
67.05499	45.7
69.07062	11.7
69.85353	23.6
72.25334	6.5
76.18829	7.7
79.05476	22.7
81.07045	48.0
91.05477	39.2
93.07034	27.1
95.08597	25.1
105.06992	29.3
107.08581	8.2
109.10152	12.1
117.07037	9.7
119.08558	18.0
121.10140	11.4
131.08524	15.1
132.26866	7.0
133.10117	13.8
137.09584	9.0
139.85124	6.3
145.10060	11.8
147.11667	10.4
148.60176	7.1
159.11812	6.0
167.55147	7.1
182.19902	7.3
219.17392	59.0
231.39771	6.3
275.20099	38.4
301.70627	9.1
333.23950	6.9
335.25742	94.2
349.23657	28.4
569.31726	8.4
609.45087	100.0
712.05396	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	807.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.0
69.03420	1.8
70.06602	1.0
70.63074	0.9
74.15723	0.8
77.03934	1.0
79.05489	0.9
80.05022	1.1
81.03392	2.0
85.02885	1.5
89.03899	2.5
91.05473	2.6
93.07027	1.3
94.06554	2.2
95.04961	1.0
95.07347	1.0
96.08141	2.4
97.02820	1.1
103.05398	0.9
103.39348	0.9
108.04446	0.9
108.08101	2.6
110.09678	4.5
117.03375	8.4
118.06570	0.9
119.04924	2.1
120.08100	3.2
122.06017	3.6
124.07591	3.8
125.54598	1.0
133.02837	2.5
134.06020	2.7
136.07574	6.5
137.05994	4.9
138.09131	4.7
145.01686	1.3
145.02831	25.7
146.03197	1.2
146.05981	25.7
146.07143	1.3
147.04393	1.5
148.07518	2.1
149.06012	5.3
150.05516	1.2
150.09157	1.4
151.03906	2.2
152.07062	1.2
159.04178	3.8
160.04013	0.9
161.05916	1.6
163.03870	1.9
164.07027	2.6
166.08626	12.4
170.09636	3.2
172.03940	4.1
172.07582	2.0
175.03839	2.9
177.05440	27.5
178.05806	2.4
179.07059	1.8
184.07336	1.0
187.12320	3.8
190.04959	12.7
198.09123	21.8
200.09384	2.5
201.05470	3.0
204.06409	1.5
205.04716	2.2
212.10672	3.5
215.11768	18.9
225.10220	1.5
226.08566	5.8
227.11650	1.5
229.13420	1.1
240.10083	2.1
241.09721	1.6
242.10490	1.4
243.11255	86.4
244.11563	3.0
255.11220	7.4
256.11948	1.2
257.12836	4.7
271.05975	1.3
271.14429	2.0
285.12296	79.1
286.12750	2.6
299.13831	16.5
301.11847	7.5
303.13342	100.0
304.13638	2.2
325.10922	5.2
337.10654	1.9
343.12738	1.3
355.11676	5.3
356.12451	1.3
373.12375	1.5
399.14319	1.7
400.16394	1.4
430.17453	3.1
436.18707	4.0
448.18576	1.9
487.17056	1.1
583.25256	8.7
601.26184	4.1
612.24994	1.4
613.25397	2.8
627.24054	3.5
745.30487	2.0
807.32434	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	807.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27989	1.1
61.02904	1.5
67.05508	2.0
69.03418	3.2
78.43055	1.0
79.05504	2.4
79.94399	1.3
81.03418	1.7
81.07048	1.4
85.02904	6.0
91.05452	2.5
93.07049	2.0
94.06567	7.1
95.04973	1.6
95.07368	1.9
96.08110	6.0
97.02895	2.9
106.06547	2.7
107.07334	2.5
108.08089	15.8
110.06089	1.0
110.09680	8.4
111.74535	1.1
116.04991	1.5
120.04462	3.1
120.08086	9.6
121.08903	1.4
122.06020	9.7
122.09667	4.1
124.07550	5.7
127.03973	1.5
134.06000	2.3
136.07556	25.7
138.09114	19.2
144.04456	2.9
146.05940	7.0
148.07552	11.9
150.09109	9.2
152.07040	21.0
154.76553	1.1
160.03976	1.8
160.07552	1.5
162.05467	2.1
164.07019	9.6
166.08609	39.6
172.03908	21.6
172.05305	1.6
174.05516	2.1
174.09111	2.4
176.07028	1.5
182.08121	2.2
190.04945	12.7
194.08066	1.2
196.71742	1.2
197.10675	1.5
198.11484	2.1
199.12341	1.5
200.81169	1.1
204.06528	33.6
209.10649	1.9
210.11583	3.7
211.08727	1.3
211.12306	4.6
212.13087	2.7
213.10162	2.2
218.08167	1.8
223.08438	1.2
223.12340	3.9
224.09366	1.5
225.10199	8.0
225.13867	1.2
226.11018	4.7
227.11734	3.6
229.09683	2.1
229.13379	1.7
236.09435	1.6
236.12854	1.4
237.10100	6.8
238.10931	6.0
239.11746	9.6
241.09584	1.3
241.13347	2.3
246.07521	1.6
249.10199	5.7
250.10901	5.6
251.08020	1.5
251.11739	13.0
252.08792	2.1
252.12654	3.9
253.09819	2.8
253.13403	3.4
255.11275	3.5
256.11914	2.4
257.12842	1.3
259.14413	1.8
262.11023	2.3
263.11780	14.8
264.08771	4.4
264.12405	3.3
265.09808	7.1
265.13174	8.0
266.10440	5.1
266.13773	1.5
267.11234	20.4
268.11823	1.7
269.12790	5.7
271.10599	1.4
271.14450	3.7
273.12399	4.0
276.08853	1.8
276.83734	1.5
277.09808	2.2
277.13254	1.9
278.10574	4.0
279.11230	26.9
280.11984	4.4
281.12885	8.7
282.09930	1.5
282.13547	2.1
283.10681	6.1
284.11539	12.1
285.12277	35.2
286.04654	1.8
286.12656	1.6
287.13846	3.5
289.15457	2.2
291.11212	12.1
292.11896	4.5
293.09406	2.6
293.12799	11.8
294.09723	1.5
294.13104	1.4
295.10751	2.8
295.13980	1.6
296.11569	5.1
297.12296	44.3
298.12842	3.9
299.13791	6.4
301.07111	2.1
307.10846	2.9
309.12228	15.0
310.13065	3.7
311.10147	5.7
311.13419	2.5
313.11850	1.9
319.10757	7.6
321.12201	12.1
323.10251	14.2
323.13843	2.3
325.11783	16.1
326.12384	1.6
327.13306	8.7
328.14194	1.5
329.15363	1.4
337.11786	45.2
338.12491	3.3
339.13364	8.0
341.11401	2.0
343.12778	3.9
344.17471	1.7
355.12994	2.7
357.14389	10.4
358.15378	1.7
359.16028	3.2
369.14462	3.2
371.16068	1.9
373.13766	2.5
385.13702	2.1
386.14542	1.7
386.18964	1.7
388.16617	1.2
390.18073	1.5
400.16711	2.4
401.17099	2.0
404.19647	4.0
406.17239	1.6
412.16714	2.5
414.17752	1.4
416.19623	1.3
418.17389	3.0
422.20569	2.6
430.17383	6.4
431.18481	2.2
432.19034	7.5
436.18063	1.4
442.17294	2.2
444.19043	1.9
446.20682	2.8
448.18637	25.2
448.24860	1.4
449.19385	15.1
450.20242	11.3
460.18625	13.9
461.18924	2.7
462.19916	3.2
474.20163	3.8
476.17978	3.9
477.18860	6.3
478.19989	6.1
480.21005	2.4
487.16879	3.1
490.19617	26.2
491.20135	3.8
492.21109	9.0
522.22339	13.0
523.23199	3.6
585.26837	1.4
594.23889	2.9
595.25238	11.0
611.24365	4.1
612.25140	5.1
613.26459	100.0
614.26691	8.2
645.29028	10.9
652.24896	21.2
653.25580	11.5
654.26062	6.0
684.27313	10.5
685.27759	4.4
775.31665	27.4
776.31927	2.6
787.88831	1.4
807.32776	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	807.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02941	0.8
65.03922	0.9
65.40984	0.6
67.05493	1.6
68.29108	0.7
69.03421	3.0
69.72495	0.8
69.72813	1.6
73.02895	0.6
79.05486	1.6
80.05009	1.2
81.03413	1.9
82.06569	1.4
84.76246	0.8
85.02902	4.0
85.03339	0.6
87.04480	0.7
91.05476	1.6
93.05725	0.7
93.07034	2.8
94.06560	6.2
95.04977	1.8
95.07339	2.9
96.08118	6.9
97.02895	2.2
103.05482	1.1
106.06540	3.2
107.07345	1.7
108.08096	15.1
109.08920	1.2
110.09663	10.8
116.04973	1.0
118.06524	1.0
120.04459	2.9
120.08082	9.6
121.08874	1.1
122.06010	8.9
122.09680	3.2
124.07575	6.7
127.03845	0.8
128.42094	0.7
132.08121	1.0
134.06013	2.8
136.07550	25.8
137.08340	0.7
138.05476	1.5
138.09125	15.9
144.04462	3.2
146.05998	7.1
146.09668	0.9
148.07541	13.2
150.05487	1.0
150.09138	10.2
152.07040	20.7
160.03958	1.4
160.07634	0.7
162.05522	2.1
164.07057	5.8
166.08609	38.2
172.03920	17.8
173.04321	0.9
174.05493	1.7
174.09129	1.4
176.07133	2.6
178.08623	0.9
180.10271	1.0
182.08131	1.1
182.09590	0.8
190.04965	14.7
192.06583	1.3
197.10780	2.4
198.11475	3.5
199.12317	1.4
204.06532	24.7
205.04666	1.2
209.10756	1.5
210.09544	1.3
210.11360	5.2
211.12250	8.1
212.09219	0.8
212.13017	2.4
213.10193	1.6
218.08189	1.6
222.11507	1.0
223.12213	5.0
224.09344	1.1
224.12961	1.0
225.10196	8.4
225.13850	2.4
226.10916	6.1
227.11708	5.2
229.09750	1.5
229.13361	1.6
235.08615	1.8
235.12357	1.5
236.09428	1.6
237.10229	7.8
237.13907	1.1
238.10980	9.1
239.11752	9.7
240.12517	1.5
241.13411	2.9
243.11220	1.5
246.07712	1.8
248.09499	0.8
249.10138	5.8
250.10944	5.4
251.08231	1.7
251.11758	15.3
252.08986	2.4
252.12471	4.4
253.09787	2.3
253.13347	5.2
255.11266	3.7
256.12103	2.0
257.12830	2.2
259.14468	1.1
262.10895	3.4
263.07794	0.8
263.11737	13.6
264.08896	3.3
264.12399	3.7
265.09753	7.1
265.13187	7.7
266.10413	4.8
267.11230	19.1
267.14249	1.3
268.12018	2.3
269.12820	4.2
271.06168	1.1
271.10959	1.6
271.14453	4.8
273.12357	2.8
275.11884	1.5
277.09705	2.3
277.13345	1.0
278.10452	3.6
279.08170	1.1
279.11230	31.2
280.11981	6.0
281.12802	10.3
282.10083	1.0
282.13623	1.1
283.10736	5.3
283.14014	0.9
284.11487	11.1
285.12289	31.8
286.12607	1.0
287.13925	2.1
289.15488	2.8
291.11172	12.9
291.14120	1.1
292.11948	3.3
293.09366	1.5
293.12732	10.6
295.10794	3.6
295.14349	1.8
296.11572	5.1
297.12296	41.9
298.13071	3.8
299.13882	6.5
304.08600	1.0
307.10809	3.2
309.12265	15.4
310.12976	3.7
311.10272	5.4
311.13940	4.6
312.10889	1.1
313.11865	1.7
314.12625	0.8
315.13593	0.9
316.14456	1.3
319.10764	7.4
321.12317	10.6
323.10202	10.6
324.10880	1.1
325.11777	18.2
325.15558	1.3
326.12375	1.4
327.13336	9.5
328.14191	1.3
329.15298	0.7
330.15912	1.4
337.11768	40.3
338.12238	3.5
339.13293	5.8
340.14142	1.0
341.11328	1.2
341.15005	1.9
343.12909	2.2
344.13681	1.2
344.17709	0.9
355.13043	1.8
356.13895	1.0
357.14380	10.5
357.18259	1.0
358.15222	1.6
359.15924	1.9
367.12823	1.1
369.14520	3.1
370.15405	1.2
371.16174	2.3
372.16864	1.9
373.13882	1.8
374.18939	0.8
376.20248	1.3
384.17184	1.3
385.13931	2.7
387.15552	1.0
388.16348	1.7
390.18005	2.4
392.19858	1.2
399.15372	1.3
400.16550	2.5
401.17450	1.4
402.18280	1.3
404.19919	3.9
406.17499	1.0
412.16690	2.9
414.18082	1.2
416.20001	1.5
418.17587	2.0
421.19818	1.0
422.20731	1.8
430.17502	8.2
431.18274	1.2
432.19162	5.0
436.18613	1.4
442.17511	2.6
444.19501	1.8
446.20889	2.8
448.18576	23.7
449.19406	13.0
450.20142	10.7
460.18588	14.6
461.19177	2.0
462.20105	3.1
463.20792	1.6
472.18668	2.4
474.20172	4.8
476.18149	4.6
477.18869	8.4
478.19724	5.7
480.21255	2.1
487.17093	6.3
490.19641	30.8
491.20245	3.1
492.21271	8.6
522.22382	10.4
523.22687	3.3
567.26379	1.1
585.27118	1.5
594.24384	3.0
595.25378	11.6
608.25793	1.2
611.24695	3.2
612.25568	6.0
613.26453	100.0
614.26807	8.1
634.24481	1.7
636.25232	1.5
640.25854	0.8
645.29089	10.8
646.29175	1.5
652.24860	21.8
653.25684	10.0
654.26764	5.4
684.27435	6.0
685.28143	4.5
757.30530	1.7
775.31702	29.7
776.31903	3.9
807.33282	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	807.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.5
61.02919	7.5
65.03929	1.2
67.05498	9.1
69.03419	27.3
69.07052	4.4
71.01337	1.8
71.04974	3.0
73.02892	4.2
79.05483	9.4
81.03412	12.3
81.07050	13.1
83.04964	1.6
83.08605	3.0
85.02894	100.0
87.04475	2.3
91.03942	3.2
91.05466	10.3
93.07030	12.2
95.04942	2.9
95.08588	12.0
97.02882	30.5
97.10129	1.9
99.04435	5.6
101.02360	1.2
103.03976	1.5
105.07009	13.2
107.07912	1.9
107.08582	20.3
109.02869	9.5
109.06507	1.6
109.10140	15.0
111.08047	1.3
115.03928	1.6
116.05025	1.1
117.06979	2.4
119.04920	1.3
119.08553	7.1
121.06511	4.8
121.10120	9.7
123.08096	1.6
123.11692	9.4
126.10659	1.0
127.03901	27.4
129.06981	2.6
131.08562	6.0
133.10129	5.1
135.08044	2.5
135.11673	2.5
136.07590	1.4
137.05981	1.6
137.09584	1.1
138.09146	1.1
142.07788	1.4
143.08501	4.5
145.04945	33.3
145.10089	6.6
147.08064	2.1
147.11653	3.8
149.09619	1.8
149.13261	3.6
155.08517	2.2
157.10091	5.2
159.08011	4.6
159.11705	4.9
161.09529	2.3
161.13229	1.7
163.05983	3.6
163.14803	2.2
167.08557	1.1
169.10143	3.3
171.07898	1.3
171.11728	4.8
173.09619	9.0
173.13249	3.1
175.11163	3.9
175.55499	1.2
177.16371	2.7
181.10056	1.1
182.40366	1.1
183.11656	3.0
185.09590	2.9
185.13168	3.2
187.11188	3.2
187.14767	2.1
189.12643	2.2
189.16254	1.2
195.11658	2.3
197.13205	2.2
199.11183	1.9
199.14774	2.4
201.12714	3.5
201.16382	1.8
203.14221	1.2
209.13281	1.6
210.14810	1.2
211.14784	1.9
213.12733	1.6
213.16295	3.3
215.14284	6.3
223.14658	1.3
225.16168	1.5
227.14232	2.5
229.15843	3.8
233.15269	2.8
241.15822	2.0
241.19472	1.1
245.15379	1.2
247.16911	3.4
253.09886	1.3
259.16928	3.9
261.18637	1.5
263.17874	1.3
265.19501	1.5
281.18912	3.7
281.22430	1.1
283.20529	4.2
285.12277	1.4
286.04578	1.2
297.18539	2.8
297.22073	5.3
299.20010	10.9
299.23480	1.4
301.07098	2.9
301.21634	5.0
311.19876	1.7
313.21362	2.8
315.23270	2.1
325.21640	1.4
329.24936	1.3
335.23688	1.5
339.23083	2.3
341.24768	1.5
349.25049	1.4
353.24496	3.4
367.26028	2.1
387.30383	3.9
405.31525	6.5
423.32468	14.3
441.33429	1.9
465.33453	4.8
483.34674	38.0
484.35056	2.5
585.37726	2.3
613.25873	1.6
645.39752	7.6
807.42194	1.4
807.56152	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06591	0.3
71.43259	0.3
75.72637	0.3
78.04707	1.4
79.05476	0.8
81.03396	0.7
81.07051	0.3
81.75413	0.2
85.02882	0.6
91.05465	0.6
93.07039	0.3
95.04977	0.5
97.02874	0.3
103.05451	0.5
105.07006	0.9
106.04149	0.8
107.04960	1.4
108.08113	0.4
109.02833	0.3
115.05418	0.4
117.07008	0.4
121.06499	0.5
122.03659	0.3
123.04413	3.2
124.05202	1.5
131.04926	0.3
133.06476	0.8
137.05945	1.1
145.06453	0.8
149.05966	0.8
151.03912	0.9
152.04655	1.1
159.07959	0.3
161.05931	0.7
163.03830	0.3
167.07019	100.0
168.07320	1.8
172.04021	0.3
173.05971	1.4
179.07002	0.5
181.08565	0.7
190.06229	0.5
193.08540	4.1
205.08592	2.4
211.09630	10.2
217.08543	1.1
219.10086	0.6
235.09645	0.7
240.12119	0.3
265.10681	1.1
271.05991	0.6
297.12323	0.4
330.11075	0.4
383.14713	0.9
401.16055	1.2
457.24847	0.3
602.27942	0.3
808.31702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90207	0.4
63.02370	1.0
69.03447	0.5
69.18757	0.8
69.19157	2.0
70.03020	0.4
70.90993	0.4
78.04693	0.4
78.67860	0.4
79.05473	0.5
85.02896	1.1
89.03904	10.0
90.55573	0.5
91.05461	4.3
93.07066	0.6
95.04941	0.8
98.23563	0.6
103.01925	0.5
103.05441	1.2
105.03420	0.9
105.07011	0.9
106.04137	0.5
107.04961	0.4
109.10158	0.5
115.05475	0.5
117.03362	30.6
118.03651	0.6
118.06613	0.5
119.04932	7.6
121.06476	1.3
122.03646	0.6
124.05186	0.4
125.87833	0.4
127.03925	0.8
131.04918	0.9
133.02827	5.9
133.06480	1.0
134.03642	2.2
135.04408	2.1
136.07521	0.6
137.05952	10.1
137.08011	0.4
137.09584	0.6
138.06392	0.5
138.09090	1.1
145.02823	80.9
146.03130	1.3
146.05981	3.0
147.04384	5.9
148.07417	0.4
149.05952	14.8
150.06720	1.9
151.03859	0.6
151.07542	1.9
157.03990	0.5
159.04202	0.6
161.06004	3.0
162.06705	2.8
163.03870	1.6
163.07434	0.7
165.05490	1.2
165.09052	0.9
166.08592	1.5
167.06993	1.0
172.03929	0.5
173.05928	1.2
175.03871	7.0
175.07512	1.1
177.05440	100.0
178.05812	2.2
179.06999	8.2
180.07806	0.5
186.05554	2.0
189.05467	0.5
190.04997	0.8
191.05290	0.8
198.09085	1.6
201.05438	17.1
203.06938	0.7
205.06421	0.7
213.05501	0.6
215.11786	1.4
216.12172	0.6
231.06451	2.3
233.05904	1.5
234.06679	1.0
236.27559	0.4
238.71602	0.4
243.11252	6.9
244.11526	3.6
250.06305	0.4
251.09068	1.6
255.11073	0.4
257.13693	0.5
261.05301	0.6
262.06082	0.9
264.07916	0.5
265.08499	1.8
277.08496	2.1
278.05710	0.4
285.12308	6.4
286.12607	3.6
290.05518	0.6
292.07172	0.7
293.08029	2.0
294.08463	0.8
295.09076	0.5
297.11047	1.2
299.13852	1.1
300.14185	0.9
302.12045	0.5
303.13354	6.9
304.13651	5.2
305.07870	2.5
306.67157	0.5
307.09412	1.4
309.11261	0.6
322.08405	0.5
325.10641	18.4
337.06912	0.6
337.10635	8.1
346.98071	0.5
353.66660	0.5
355.11697	22.0
373.12802	5.3
399.14093	0.6
415.17331	0.5
431.17081	0.7
469.18576	0.6
540.67487	0.5
593.21881	0.5
738.35455	0.6
808.31079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	11.0
57.72980	4.7
61.02913	4.9
62.31759	3.6
65.03905	7.4
67.05154	7.4
67.05492	97.3
68.54714	5.1
69.07060	23.0
79.05480	100.0
81.07047	73.4
83.08580	11.2
91.05457	92.9
93.07029	90.2
94.14899	4.0
95.04942	19.3
95.08585	59.6
95.46963	4.3
105.04539	5.6
105.07007	85.7
107.08582	38.1
109.06486	4.7
109.10139	22.7
117.06966	17.5
119.08554	55.0
121.10129	25.9
127.70742	4.3
129.06950	13.0
131.08525	29.3
133.10104	39.4
135.11665	16.6
143.08553	13.9
145.10110	24.1
147.11665	32.1
149.13280	6.3
157.10088	11.4
159.11668	13.2
161.13242	13.8
173.13240	8.1
185.13235	7.1
228.92784	5.6
241.19496	17.1
259.20520	35.7
261.22171	9.0
283.20157	5.4
296.95273	5.7
333.24243	38.3
335.25671	45.4
569.84216	4.8
593.44946	6.0
611.46289	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	11.6
67.05500	44.9
69.07065	15.2
69.07483	26.1
71.04969	4.6
79.05489	33.5
81.07057	46.9
81.24634	3.4
83.08607	4.8
85.06521	4.0
91.05487	29.6
93.07043	33.5
95.04965	7.8
95.08590	36.5
97.10184	4.4
97.45344	3.4
105.07027	26.3
107.08566	25.1
109.10139	14.4
109.84019	3.3
117.07014	8.4
119.08600	16.8
121.10118	18.7
131.08540	12.0
133.10103	18.8
135.11682	12.7
143.08492	3.7
145.10133	12.3
147.11661	12.6
149.13234	6.4
159.11702	12.0
161.13252	5.5
163.14893	3.6
173.13234	8.0
185.13332	4.9
187.14737	5.4
188.64909	4.3
241.19464	5.2
259.20584	16.0
261.21997	7.2
261.91980	3.8
277.21622	11.9
312.98471	3.4
333.24170	12.8
335.25790	100.0
351.25259	28.7
374.55899	3.7
476.61755	3.7
488.43491	4.5
530.54169	3.7
593.45746	4.5
611.46594	37.1
612.46716	5.5
622.69281	4.0
646.47711	3.6
664.98303	4.0
720.76453	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	810.4983
Annotation	Pitipeptolide B
Peak:m/z	Relative Intensity
57.03424	2.0
61.02918	4.4
62.08155	0.4
65.03947	0.6
67.05492	12.7
68.05004	2.5
69.03432	2.7
69.05799	1.1
69.07069	3.0
70.06579	100.0
70.50805	0.4
71.04974	1.8
71.06917	0.9
73.02901	2.6
79.05476	9.7
80.05015	0.6
81.03401	1.0
81.07040	9.9
81.07489	0.6
82.06577	1.1
83.04958	2.1
83.07376	0.8
83.08620	1.8
84.08122	1.0
85.02892	4.1
85.06525	0.5
85.22716	0.4
86.09711	0.6
87.04480	0.6
91.03933	1.3
91.05470	4.6
93.07030	10.6
94.06557	0.5
95.04969	1.8
95.08590	7.1
96.08115	7.2
97.02878	3.5
97.06493	1.3
97.10150	0.6
98.06017	0.6
98.09691	0.8
99.04465	0.9
101.02353	1.0
105.07008	2.3
106.06577	0.5
107.04925	0.8
107.08572	5.7
109.06513	0.5
109.10117	3.4
111.04416	3.4
111.08096	0.8
117.07043	1.3
117.35969	0.4
119.08564	2.4
120.07249	0.5
121.06537	0.7
121.10130	4.9
123.08064	0.8
123.11690	0.9
124.07568	0.5
125.05990	0.6
126.09203	0.6
131.08565	1.9
131.74368	0.5
133.10095	0.7
135.11668	3.8
137.09496	0.4
139.11194	0.6
140.07057	2.1
142.08614	4.9
145.06624	0.5
145.10104	2.5
147.11700	0.7
149.09569	1.0
153.12752	1.8
163.11143	3.4
173.09590	1.2
181.12222	2.5
191.10661	0.7
208.16953	0.7
209.11740	0.8
226.17957	0.7
227.12746	2.4
234.18579	0.5
236.16429	5.7
252.19582	0.5
254.17439	9.0
278.17566	1.5
296.18494	9.2
310.20175	1.6
314.19525	12.4
315.20096	0.8
328.21121	3.4
335.25836	3.4
335.29449	0.5
352.21329	0.6
370.22168	5.2
388.23196	13.8
550.28333	0.8
588.42493	4.3
589.42749	0.6
630.43500	5.5
631.44214	0.5
648.44562	88.4
649.44910	8.3
738.49329	0.5
792.48914	4.2
810.49860	52.4
811.50568	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	810.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.1
58.12211	0.9
61.02628	0.8
61.02914	4.1
65.03931	1.1
67.05496	12.2
68.05032	2.6
69.03419	2.3
69.05804	0.9
69.07066	3.6
70.06581	100.0
71.04984	2.7
71.06933	1.2
73.02915	2.7
79.05483	10.0
80.05019	1.5
81.03407	1.4
81.07043	9.3
82.06554	1.3
83.04982	2.2
83.08614	1.7
84.08115	1.6
84.79895	0.8
85.02905	2.2
91.03945	1.2
91.05482	4.5
93.07024	8.2
95.04954	2.3
95.08575	5.6
96.08122	9.4
97.02911	2.8
97.06511	1.4
98.06117	0.8
100.07607	3.1
101.02383	1.2
105.04508	0.7
105.07018	2.5
106.06610	0.8
107.08582	5.4
109.10180	3.1
111.04446	3.2
119.08585	2.7
121.10095	4.3
128.07063	6.0
131.08589	1.3
133.10094	1.3
135.11722	3.5
140.07054	1.9
142.08630	4.9
145.10121	2.4
147.69746	0.7
149.09628	2.3
153.12788	2.3
163.11169	3.7
173.09587	0.9
181.12239	2.4
212.14275	4.3
227.12878	2.2
236.16432	6.2
254.17470	9.6
254.19643	0.9
268.15869	0.9
278.17441	1.5
296.18503	11.4
310.20123	1.4
314.19528	9.8
328.21255	3.3
335.25812	2.1
342.24246	12.3
347.43674	0.8
358.22971	0.8
370.22101	5.4
388.23251	12.2
560.32117	1.4
588.42181	5.5
600.01001	0.9
630.43671	4.3
631.42896	0.9
648.44556	92.9
649.44873	9.8
792.48566	3.4
810.50104	55.5
811.51160	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	811.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	6.0
66.08983	0.5
67.05489	2.5
67.28745	0.5
69.03416	1.5
79.00568	0.5
85.02897	0.6
89.03905	3.4
93.03390	7.2
97.02876	82.5
110.03649	1.4
111.04419	0.7
115.05408	0.7
117.02555	0.9
117.03360	13.6
118.53928	0.4
121.02853	2.6
122.03638	0.5
123.04403	0.7
124.05207	0.6
125.02358	1.3
125.05969	1.1
127.03930	0.6
128.06198	1.4
129.07019	4.8
130.06496	0.6
131.04906	0.6
134.03606	0.9
135.04428	1.0
137.06003	1.1
138.55350	0.5
139.03848	1.1
141.06981	1.5
145.02821	43.1
146.03175	0.7
146.05983	25.6
147.04306	0.7
149.02339	9.1
149.05965	4.5
149.68552	0.5
151.03856	1.6
157.06459	7.6
158.05960	0.5
160.07530	0.7
161.05966	0.8
163.03860	0.9
167.03377	57.7
168.03650	0.7
169.06496	2.4
170.05951	0.6
173.05870	0.8
174.05463	7.3
174.06757	1.1
177.05435	100.0
178.05748	2.3
184.05141	0.7
185.05936	2.4
186.05449	0.7
187.07471	0.9
188.07010	14.1
189.05432	1.1
189.07407	1.0
189.09052	7.1
192.06520	22.2
195.04350	1.1
196.07529	0.6
197.05920	0.7
199.07494	6.6
200.04547	0.7
207.06433	2.2
212.04622	1.0
212.06989	1.8
213.05391	1.3
215.06992	0.8
216.06506	1.4
217.08565	7.3
227.07002	6.4
234.07584	3.5
245.08061	12.1
254.08081	0.8
255.06494	1.2
258.07401	0.6
270.07498	1.3
273.07468	3.6
285.11765	0.5
291.08582	45.9
292.08939	1.3
309.09634	13.1
336.10654	1.1
339.10574	1.1
354.08359	0.6
354.11838	6.7
372.83163	0.6
389.58051	0.6
811.29297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3151
Annotation	Hedyotisol B
Peak:m/z	Relative Intensity
59.77969	0.8
69.29710	0.7
69.66379	2.6
80.50378	0.7
81.01276	0.7
81.03429	0.9
81.07054	0.7
82.77962	0.7
88.26151	0.8
98.22971	2.1
107.08521	0.8
123.04427	0.8
137.05930	0.8
158.05731	1.3
172.07368	0.9
185.04274	0.7
233.10809	1.2
235.12268	10.2
236.13077	1.8
237.13730	0.9
249.70032	0.7
258.11310	1.0
305.12485	1.1
317.12488	0.8
326.16473	1.1
328.18292	1.2
330.45892	0.7
340.18219	0.9
342.19522	6.7
343.20502	0.8
352.18195	1.2
354.15802	1.1
361.11481	1.2
363.13293	0.8
364.13937	0.9
364.17746	3.6
370.19235	2.9
380.17365	3.8
382.18741	4.0
392.17236	2.2
394.14636	0.8
396.17133	1.1
408.16812	2.7
410.18338	3.4
422.18735	0.9
424.20132	2.0
436.16113	0.9
438.17606	1.4
439.18884	0.9
444.23175	1.2
452.19284	1.7
466.21219	1.0
468.19101	2.5
470.20612	0.9
472.22485	1.4
494.20892	1.0
494.91708	0.8
496.18872	1.6
514.19403	1.4
542.19159	3.0
554.23187	1.4
556.20508	0.9
584.23944	1.6
585.24310	1.2
586.25415	2.8
588.23279	3.2
590.24719	2.2
598.21429	1.6
612.23145	2.5
613.23981	3.9
614.24335	5.2
615.21893	1.1
616.22516	19.5
617.22546	1.8
629.23566	1.6
640.22821	4.6
641.23047	0.8
656.22089	1.5
657.22937	8.9
658.23523	6.1
735.30133	1.4
751.29675	2.0
779.28870	100.0
780.29041	9.9
810.40680	0.9
811.31403	67.3
812.31897	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4455
Annotation	Ilekudinoside J
Peak:m/z	Relative Intensity
57.03428	7.0
57.07044	0.8
59.04984	1.0
61.02919	7.4
65.21810	0.6
67.05494	5.0
69.03418	30.6
69.07058	2.7
70.06570	2.2
70.42398	0.5
70.89828	0.5
71.01347	1.5
71.04984	7.2
73.02911	3.6
79.05480	4.7
81.03403	11.0
81.07048	8.0
83.01302	0.9
83.04949	1.1
83.08611	1.8
85.02889	100.0
85.06467	0.8
86.03230	0.8
87.04450	3.6
91.03936	3.0
91.05482	5.5
93.07031	8.5
95.04940	1.6
95.08588	9.4
97.02877	33.8
97.06458	0.8
97.10130	0.8
99.04441	6.3
99.08088	0.9
101.02378	1.0
103.03976	0.9
105.07008	10.7
107.08575	8.5
109.02866	10.1
109.03557	0.4
109.06510	2.1
109.10142	6.4
111.04435	0.7
111.08035	1.2
113.09618	3.2
115.03923	0.9
115.05408	0.7
117.06981	2.6
119.04928	1.3
119.08569	5.8
121.06499	6.2
121.10101	2.9
123.08042	1.6
123.11724	2.4
125.09621	1.0
127.03897	26.3
127.07488	0.5
127.11173	11.6
127.91401	0.5
128.06187	0.9
129.06992	3.0
131.07553	0.4
131.08539	12.4
133.06477	1.8
133.10098	4.8
135.08035	4.5
135.11681	1.9
137.13190	0.7
139.07515	0.6
141.06956	0.9
141.12671	0.6
142.07735	0.9
143.08554	5.3
143.10606	0.7
145.04932	27.5
145.10083	6.7
146.05312	0.7
147.08000	3.7
147.11679	3.4
149.09625	1.2
149.13243	1.5
153.12698	1.1
155.08543	2.2
156.09250	0.7
157.06506	0.9
157.10081	4.8
159.08047	5.0
159.11682	4.2
161.09587	3.8
161.13205	1.2
163.05995	3.7
163.14839	1.9
167.08559	1.3
167.14354	0.8
169.10098	3.2
171.08003	1.7
171.11665	3.6
173.09598	5.2
173.13219	3.7
175.11169	2.3
175.14691	0.6
181.04848	0.6
181.10083	1.9
181.15854	0.7
183.11676	2.5
185.09610	2.5
185.13278	2.1
187.11143	2.4
187.14839	2.0
189.09010	0.6
189.12721	2.5
191.14285	0.6
193.10185	0.6
194.10899	0.8
195.11674	2.4
197.13239	2.6
199.11194	1.9
199.14757	3.2
201.12727	1.8
201.16362	0.8
207.11681	0.9
209.13213	2.7
211.14842	1.7
213.12756	1.6
213.16400	1.9
214.13460	0.8
215.14276	6.0
217.15874	1.8
221.13318	0.8
221.45819	0.6
223.14763	10.7
225.16367	1.3
227.14343	1.1
227.17912	0.7
229.15837	6.9
231.17442	0.8
233.15367	2.2
235.14839	0.9
237.16313	0.8
239.14313	0.7
239.18063	0.9
241.15851	4.5
243.17476	0.9
245.15346	1.3
247.14877	0.6
247.16962	5.2
247.89404	0.5
249.16449	1.2
251.17943	1.4
253.19553	0.7
255.17387	1.4
255.21053	1.2
259.16922	2.9
261.18640	0.9
263.15128	0.5
263.17950	1.2
265.19400	1.2
267.17688	0.6
269.18921	4.1
273.18484	1.1
273.22205	0.8
279.17725	0.6
281.18817	0.7
282.19791	0.9
283.17111	1.0
283.20581	2.6
285.18539	0.6
285.22052	0.9
287.20038	1.7
293.22324	0.6
297.18457	6.6
299.20090	0.9
301.21637	2.2
305.22635	2.2
307.20581	0.5
309.22006	1.5
311.20361	0.9
311.23550	3.5
323.23550	1.4
325.21732	1.0
327.23190	0.8
329.24823	2.4
335.23718	1.0
337.25378	0.6
341.24646	0.7
353.24963	1.3
357.27658	0.6
373.29047	1.2
391.29852	13.0
409.30939	28.7
410.31277	0.9
421.57120	0.6
427.32007	40.8
428.32309	2.1
445.32794	0.8
469.32846	3.7
487.34134	24.7
488.34375	1.7
571.36072	1.8
589.37335	5.8
649.39325	5.7
720.75000	0.6
751.41785	1.1
811.40472	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	811.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	6.9
59.04988	1.7
59.68164	1.8
61.02919	7.9
67.05492	5.1
69.03425	28.1
69.07061	2.0
71.04968	2.1
73.02900	4.2
79.05476	5.3
80.52278	1.6
81.03413	11.2
81.07040	7.0
85.02892	100.0
85.25567	1.8
87.04463	2.9
91.03925	3.2
91.05489	6.4
93.07028	8.0
95.04951	3.5
95.08604	16.5
95.25256	1.7
97.02875	32.4
99.04426	7.7
99.08078	4.9
101.02355	2.9
105.07023	9.2
107.08575	11.6
109.02847	9.8
109.10145	7.6
113.81418	2.0
117.06938	2.5
119.08556	8.2
121.06488	4.4
121.10107	4.0
123.11719	3.5
127.03893	25.7
127.11181	5.9
131.08542	6.0
132.97789	1.7
133.06529	2.2
133.10135	5.3
135.08009	6.4
135.11696	4.3
141.06970	2.2
143.08545	4.8
145.04927	28.0
145.10123	15.5
147.08003	3.5
147.11668	4.8
155.08569	2.1
157.10097	4.2
159.08067	5.8
159.11708	5.6
161.09654	3.1
161.13211	2.7
163.14832	2.5
169.10106	5.0
171.11777	4.6
173.09602	4.8
173.13261	2.0
175.11110	3.0
183.11678	3.3
185.09586	2.4
185.13261	2.9
187.11227	3.0
189.12685	3.3
193.10149	2.2
197.13194	4.3
199.14804	2.1
215.14267	6.8
217.15791	2.8
223.14799	16.8
229.15926	5.6
233.15350	3.0
241.15781	4.1
247.16946	7.4
273.18457	1.9
283.20349	3.0
301.21521	5.4
311.23553	3.6
391.29871	14.3
409.30975	20.7
410.30933	2.4
427.32004	35.0
428.32523	1.9
469.33170	4.1
487.27603	2.5
487.34164	31.5
589.36914	6.4
649.38727	6.3
784.92432	2.2
786.69800	2.3
811.40265	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	812.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.8
61.02916	9.1
67.05500	5.2
69.03426	22.2
69.07073	3.2
70.76772	1.4
70.77111	1.3
71.04990	4.1
71.11607	1.3
71.37211	1.3
73.02913	3.9
75.77894	1.3
79.05499	3.8
81.03420	9.2
81.07043	9.0
83.08641	1.8
85.02898	100.0
87.04461	3.7
91.03969	4.1
91.05482	3.1
93.07035	10.6
95.08609	19.6
97.02882	34.3
99.04467	4.4
99.08083	2.9
105.07024	7.7
107.08583	13.6
109.02859	11.2
109.10145	21.3
111.71138	1.4
119.08566	8.6
121.10128	20.5
123.11739	4.4
127.03897	25.5
127.11197	5.1
131.08582	3.9
133.10103	11.1
135.11676	8.5
137.13266	3.5
142.42976	1.6
143.08575	2.0
144.06529	1.8
145.04953	33.3
145.10118	6.6
147.11674	8.9
149.13248	7.7
159.11702	3.2
161.13258	6.0
163.06056	9.7
163.14838	4.7
171.11685	5.0
173.13239	7.0
175.14853	4.5
177.16370	50.0
177.17921	3.2
180.08694	2.3
185.13243	3.7
187.14787	4.5
189.16324	15.2
191.17961	3.8
195.17494	7.7
199.14815	3.0
201.16423	4.2
203.17955	5.6
205.15965	2.6
208.41794	1.5
211.14914	1.8
215.18028	2.5
217.12247	4.8
219.17497	1.7
231.17519	2.0
239.18130	2.2
313.25061	1.9
324.12695	1.8
325.11456	1.9
341.24954	1.3
343.22650	2.3
349.29034	2.3
357.24136	3.5
367.29733	9.9
395.29205	4.6
400.72070	1.8
407.33118	13.7
425.34146	16.2
435.32532	3.2
453.33612	53.2
454.34027	3.3
471.27985	3.0
471.34674	51.3
521.50134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.8
61.02925	8.0
67.05488	2.9
69.03421	17.8
69.07065	3.4
69.92577	3.0
71.04980	2.6
73.02898	2.8
79.05473	2.8
81.03419	9.7
81.07051	6.8
83.08624	5.2
85.02895	100.0
87.04453	1.7
91.03954	4.3
91.05467	4.2
93.07036	10.5
95.08590	16.7
97.02883	33.5
97.10175	1.4
99.04454	4.9
103.04005	1.1
105.07030	10.0
107.08574	16.9
109.02864	7.4
109.10136	11.8
111.08028	2.0
115.03910	1.5
117.06982	1.8
119.08563	32.6
121.10130	14.6
123.11712	3.4
125.09605	1.4
127.03909	23.8
131.08557	9.0
133.10101	15.0
135.08035	6.0
135.11693	6.4
137.13210	1.4
143.08533	1.6
144.06517	1.2
144.09293	1.3
145.04950	39.5
145.10109	19.7
147.11650	8.5
149.09541	1.4
149.13228	3.3
157.10182	2.0
158.10889	1.0
159.11678	15.5
161.13272	8.4
163.06021	15.3
163.07384	1.6
163.11156	14.0
163.14804	9.9
169.10062	1.3
171.11655	2.9
172.12378	1.1
173.13249	13.6
173.16364	1.1
175.11169	2.2
175.14795	9.3
177.09088	1.7
177.12721	2.5
177.16327	7.2
179.14233	2.6
183.11646	1.6
185.13229	6.7
187.14798	22.9
188.15115	1.4
189.16379	15.0
191.14232	1.7
191.17906	2.1
193.15866	1.5
199.14810	4.8
201.16373	30.3
202.16695	1.1
203.14282	2.8
203.17966	14.3
205.15849	42.4
206.16078	1.2
207.17458	4.8
213.16379	3.4
215.14445	1.6
215.17914	4.4
219.17447	15.6
225.16469	1.0
227.17976	2.1
229.15822	1.8
229.19484	1.5
233.19012	2.0
241.19614	1.6
245.18987	2.8
247.16956	5.5
251.16495	1.4
265.17990	4.3
277.17844	1.3
281.22668	1.5
325.11127	1.5
345.24057	1.5
389.31842	3.7
407.33026	93.7
408.33292	6.6
409.34631	9.5
425.34106	31.5
426.34125	1.4
435.32401	4.7
453.33594	32.9
454.33844	1.6
471.34698	29.9
472.34912	2.1
580.72559	1.0
661.57861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.5
57.97827	2.6
61.02912	11.0
67.05493	11.8
69.03423	6.3
69.48616	3.0
69.48936	14.2
71.04984	3.3
73.02917	7.4
76.23470	2.8
79.05487	14.5
81.03417	2.8
81.07043	13.7
85.02895	12.1
91.03956	6.6
91.05466	7.2
93.07025	8.7
95.08611	8.6
97.02898	10.7
102.67065	3.3
105.07026	6.1
107.08578	8.8
109.10167	3.2
115.03989	2.8
119.08553	4.2
121.10139	5.4
180.49771	2.8
213.12357	2.7
288.77866	2.9
386.63187	3.1
519.29425	9.1
534.88092	2.9
535.28723	8.7
778.38843	3.2
813.50940	100.0
814.50775	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	814.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.7
57.07066	1.3
61.02925	8.1
67.05471	2.7
69.03059	1.7
69.03418	20.0
69.07044	2.8
69.65214	2.6
71.04980	2.4
72.76598	0.9
73.02901	2.7
76.98164	0.8
77.59702	0.8
79.05471	2.8
81.03418	6.6
81.07038	8.8
83.08607	3.0
85.02892	100.0
87.04440	2.2
91.03949	3.5
91.05462	2.8
93.07036	6.0
95.04904	1.1
95.08583	15.5
97.02879	32.4
97.10129	1.1
99.04436	4.0
105.07008	7.8
107.08582	12.6
109.02863	8.0
109.10147	8.8
117.07005	1.2
119.08562	8.9
121.06442	1.1
121.10114	11.2
122.76066	0.9
123.07982	0.9
123.11713	3.2
127.03893	25.1
131.08545	4.2
133.10109	9.8
135.08009	1.2
135.11658	8.2
137.13248	3.3
143.08530	1.0
144.06570	1.5
145.04936	43.1
145.10066	4.8
147.11656	6.1
149.09546	1.2
149.13264	7.4
157.10033	1.3
159.11668	4.3
161.13187	5.4
162.07678	1.6
163.06006	12.8
163.11142	1.8
163.14752	4.8
165.09087	1.3
171.11671	1.9
173.13242	2.5
175.14830	4.9
177.12831	1.2
177.16341	9.6
185.13260	1.4
187.14801	7.5
189.16338	9.7
191.14272	1.2
191.17905	3.8
199.14717	1.6
201.16383	4.1
203.17932	19.7
205.15843	11.3
207.17383	2.8
213.16327	1.5
215.17938	1.8
217.19469	2.4
223.16902	2.4
241.19646	1.6
245.18884	1.7
249.18367	4.5
259.16791	1.9
259.20483	0.9
263.20001	3.2
267.20874	1.1
324.12921	1.8
325.11349	1.0
345.13635	0.9
369.31473	1.6
391.33603	4.3
409.34579	33.0
410.34848	1.8
411.32364	1.2
425.33783	1.9
427.35663	18.6
437.34082	19.8
455.29294	1.2
455.35202	16.1
473.36194	15.9
474.36633	1.8
799.46008	1.1
815.26648	1.5
838.19873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.7
61.02916	11.7
67.05494	6.5
69.03420	19.9
69.07067	4.0
69.64739	4.9
71.04996	3.8
73.02923	4.3
79.05492	4.1
81.03409	9.0
81.07048	13.7
83.08625	4.7
85.02897	100.0
87.04426	1.9
91.03956	6.4
91.05482	3.8
93.07050	10.9
95.08598	24.6
97.02883	30.0
97.03484	2.8
99.04442	5.3
99.08086	1.8
105.07046	7.6
107.08592	19.4
109.02869	8.6
109.10138	17.3
119.08549	10.6
121.10128	21.8
123.11700	7.0
127.03908	27.0
131.08565	3.6
133.10127	13.7
135.11667	13.9
137.13243	2.7
144.06508	1.7
145.04948	47.8
145.10039	7.4
147.11678	9.6
149.13263	9.6
157.10025	1.4
159.11717	4.4
161.13242	8.4
163.05997	15.4
163.11163	1.5
163.14833	8.9
165.09187	2.1
171.11612	2.6
173.13266	4.7
175.14795	8.2
177.12862	1.5
177.16364	44.3
178.16747	1.8
179.14186	1.4
180.08528	1.5
187.14804	5.8
189.16351	14.6
191.14328	1.9
191.17946	4.5
193.15900	2.7
195.17467	7.3
201.16394	6.8
203.17955	15.3
205.15884	5.8
207.17509	1.6
213.16380	2.6
215.17996	3.8
217.19533	3.3
219.17355	1.8
229.19484	2.1
231.17522	1.7
241.19249	1.7
259.16742	1.8
261.18491	2.8
267.03976	1.7
267.21152	1.6
275.19867	1.5
277.17960	4.8
325.11383	1.5
345.24023	2.8
359.25632	2.4
369.31326	1.7
391.33496	4.3
397.34601	1.9
409.34610	23.9
427.35666	19.5
437.34039	10.3
455.35190	35.4
456.35489	2.6
473.36194	25.6
483.72699	1.5
522.23901	1.3
815.28326	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	816.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03852	2.8
69.03429	12.1
70.74776	3.6
77.98632	2.8
81.03417	3.7
85.02914	5.6
87.04456	5.1
93.74391	2.5
97.02882	15.5
98.00121	2.8
115.03909	100.0
115.04694	5.1
127.03934	5.1
133.04955	14.4
174.37790	3.2
210.96367	2.6
219.02061	2.8
259.08063	16.2
277.09198	20.8
425.59250	4.3
505.10751	2.9
728.59204	3.6
764.36969	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	817.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23038	6.0
82.56730	1.0
131.74190	1.1
175.03638	17.2
175.04958	1.5
188.04465	5.6
189.05220	1.7
202.06044	2.3
219.06380	4.0
299.29401	1.0
361.10278	1.3
377.10080	1.2
392.12421	1.2
395.11169	1.8
399.14047	12.7
400.13553	1.2
410.13434	2.2
413.15646	15.4
423.14230	2.1
817.30206	100.0
818.31213	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	818.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03889	2.5
67.05459	1.3
69.03419	3.2
71.04984	25.7
72.29135	0.6
81.03407	6.8
85.02906	3.0
85.06529	4.7
93.03339	1.5
95.04934	1.4
97.02883	4.3
98.23521	0.8
99.04411	1.4
108.02052	1.5
109.02861	4.1
111.04446	3.1
113.05994	5.3
119.04845	0.6
121.30000	0.5
122.23228	0.5
123.04391	0.6
125.05973	1.3
127.03918	3.8
127.07549	13.8
127.08472	0.4
131.07025	6.6
137.05965	1.5
138.58723	0.6
141.05444	2.0
145.04910	1.9
145.08580	82.3
146.08868	0.7
149.06027	0.8
150.70262	0.5
151.03891	100.0
151.04944	5.1
152.04211	1.9
152.68896	0.5
155.06998	1.6
163.03903	1.5
165.09094	0.7
167.06932	0.7
169.04938	11.7
173.08105	2.2
177.05511	0.6
187.06081	0.6
187.07617	0.6
191.09074	6.0
257.10254	1.2
277.07196	1.7
295.08066	6.8
299.11407	1.3
313.09134	13.1
317.12418	2.3
335.13550	2.4
472.43854	0.7
472.94049	0.6
485.17050	1.5
629.21484	0.9
783.91571	0.6
801.72528	0.8
818.23621	2.8
819.28223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.8
59.04983	2.1
61.02914	8.1
61.23656	1.4
67.05494	6.9
69.03416	17.0
69.07067	5.6
69.71368	1.5
71.04992	2.1
73.02908	2.1
77.71236	1.8
79.05498	2.8
81.03399	7.6
81.07050	20.3
83.04978	8.6
83.08604	2.9
85.02894	100.0
85.06544	1.4
87.04475	2.0
91.03955	5.7
91.05465	5.9
92.34108	1.7
93.07034	12.6
95.08595	26.2
97.02881	27.6
97.10185	2.3
99.04448	4.6
101.06003	7.9
105.07024	9.9
107.08575	15.4
108.08925	1.6
109.02872	9.5
109.10150	18.6
119.08562	13.8
121.10127	14.5
121.73302	1.5
123.11697	7.8
127.03896	27.4
131.08563	3.0
133.10088	7.8
135.11685	12.2
136.07635	2.1
137.05931	3.1
137.13243	6.8
138.09225	1.6
145.04941	55.9
145.10071	5.1
147.11604	7.9
149.13239	8.7
159.11711	5.6
161.13286	8.9
163.05978	24.5
163.14822	5.0
173.13240	2.6
175.14833	6.9
177.16359	4.2
187.14796	4.1
188.10713	1.6
189.16365	7.9
191.14137	1.9
191.17924	20.2
199.14893	1.9
201.16408	4.7
203.17928	5.2
205.19519	3.4
207.17401	3.1
213.16347	2.2
215.17964	2.2
217.19633	2.1
227.17781	2.0
289.09143	1.8
297.25735	10.3
299.27563	2.2
301.28729	2.9
325.11295	14.0
365.32001	8.0
383.32974	21.0
405.34940	2.8
423.36102	3.1
441.37378	7.6
453.37335	1.6
646.10632	1.6
664.24951	7.9
696.27655	19.5
818.26587	3.0
818.89276	1.6
819.26416	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	821.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88789	0.8
69.03419	0.9
69.25686	4.6
75.53270	0.8
82.32791	0.8
84.96017	0.8
85.02901	1.2
95.81846	0.8
97.02907	2.1
98.97677	1.0
101.00872	2.2
115.03923	3.2
119.01917	4.3
131.01062	0.9
131.01889	4.0
143.01851	4.6
145.03421	6.0
148.55763	0.9
155.01898	5.9
157.03433	1.8
161.02956	8.1
163.04619	0.8
169.03412	1.8
171.05037	3.7
173.02942	21.4
175.04448	1.2
181.03482	0.8
185.03035	3.2
187.04584	2.1
191.02405	1.1
191.03955	4.7
197.02913	7.2
199.04515	3.3
203.04071	4.5
209.03062	1.0
211.04568	3.4
215.03995	13.9
217.05457	1.1
220.00082	0.8
221.05006	10.2
223.04448	1.9
227.03954	5.1
229.05640	2.3
233.02985	1.8
233.05067	2.1
239.04066	5.4
241.05553	3.6
245.05215	1.6
251.03983	7.2
251.06335	1.1
257.04932	4.7
269.05185	1.5
271.06595	13.8
281.05096	2.4
287.05988	1.1
289.07684	7.2
299.06058	25.5
300.06491	1.4
315.03763	1.6
316.05585	1.7
316.55634	2.7
317.07135	100.0
318.07446	5.6
335.08200	35.3
336.08347	2.6
358.09811	2.2
413.10486	12.0
421.10034	1.6
421.60309	1.1
422.09451	1.0
429.06622	1.0
431.11118	41.6
447.07883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07042	2.1
65.03938	2.4
67.05490	4.1
69.03415	4.8
69.07062	7.5
69.22167	12.8
71.04968	2.0
73.96491	2.2
81.03426	3.9
81.07037	10.2
83.08617	4.4
85.02892	8.1
91.05459	3.2
92.04997	3.2
93.07027	4.0
94.06548	6.1
95.04991	2.6
95.07362	2.5
95.08596	7.5
96.08125	4.5
97.02821	3.2
97.10136	3.6
106.06561	2.8
108.08116	9.3
109.02872	2.8
109.10168	9.6
110.09682	7.8
116.04977	4.6
120.04486	7.4
120.08094	9.5
121.06466	2.5
122.06046	7.0
122.09720	2.8
123.11706	2.9
124.07575	2.9
136.07556	11.5
137.06001	2.7
138.05461	4.6
138.09111	15.4
144.04457	5.5
146.06004	3.1
148.07549	3.7
149.59827	2.2
152.07019	2.8
154.08696	3.3
162.05530	6.9
163.03880	4.6
164.03467	2.9
165.09109	4.5
166.08597	21.0
172.03911	35.4
172.07602	3.5
178.04971	19.2
187.12332	3.0
188.03403	18.7
190.04976	3.0
196.06064	6.0
198.09114	17.6
204.06531	56.1
212.10825	2.8
215.11687	12.6
225.10159	5.1
226.08640	6.1
227.11745	15.1
241.09702	4.0
243.11249	81.9
251.11952	2.3
253.09666	4.3
255.11243	12.0
257.12982	3.2
267.11334	3.2
269.12802	18.2
271.10815	3.2
273.12390	2.9
277.10098	2.2
278.57596	2.3
285.12305	80.0
286.12836	2.6
287.13885	21.8
293.28262	3.8
299.10403	3.7
301.11841	10.5
303.13358	100.0
304.13763	3.4
311.29248	3.0
313.11673	13.5
315.13342	4.4
317.11206	5.5
325.11694	3.9
329.30396	3.2
331.12762	12.2
341.11255	7.1
347.15842	2.6
357.14426	14.2
358.14655	3.1
373.02725	2.8
373.09335	2.5
386.14871	3.1
402.14444	2.5
414.14813	3.7
462.16690	3.5
474.16129	4.2
567.22552	10.7
583.25049	5.3
599.24237	3.2
609.23199	3.0
627.24420	31.0
641.26062	3.5
659.26447	4.3
803.30835	7.3
821.27863	4.8
821.43561	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	821.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94767	1.0
67.05494	1.9
69.03442	1.0
69.80397	2.2
71.81874	1.1
79.05496	0.9
79.76475	0.9
83.13334	0.9
85.02887	1.1
91.05448	1.4
93.07030	1.7
94.06557	3.1
95.07352	1.4
96.08113	2.7
97.02845	1.4
97.51543	0.9
108.08110	3.7
110.09641	5.1
116.05008	2.5
117.67062	1.0
120.08090	4.2
121.10121	1.0
122.06028	3.6
124.07643	2.4
131.25017	1.0
136.07561	8.3
138.09131	6.7
144.04440	5.9
146.06049	2.2
148.07561	2.2
150.05510	1.6
154.50845	1.2
160.03891	1.1
162.05460	5.2
165.09109	2.4
166.08600	12.0
170.09634	2.7
172.03917	44.5
172.07481	1.4
172.11276	1.4
173.04425	1.0
175.08658	1.3
176.66646	1.0
186.09189	1.2
187.12291	4.2
190.04991	5.1
198.09125	20.6
200.09399	2.8
200.10938	1.5
201.13914	1.5
204.06529	71.6
212.10655	3.0
215.11775	16.9
225.10226	1.1
226.08656	4.8
227.08054	1.5
227.11766	2.9
229.09749	1.2
229.13197	1.4
240.10199	2.5
241.09747	1.4
243.11250	84.2
244.11586	2.4
255.11305	6.3
257.12680	5.2
269.09195	2.1
285.12280	83.9
286.12494	3.6
297.12198	1.9
301.11816	8.4
303.13345	100.0
304.13702	3.7
313.11606	1.9
325.11752	4.7
340.36160	1.2
357.14413	19.3
358.15045	3.4
359.15967	2.6
386.14993	1.2
418.17657	1.2
430.17499	1.4
446.16428	1.1
462.16638	3.1
474.16379	3.2
487.17044	2.1
494.19186	3.5
519.19769	1.7
583.25232	8.5
599.24585	4.2
622.06317	1.2
627.24310	27.8
628.24530	1.8
641.26147	1.6
659.26550	3.2
821.30408	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05465	1.0
69.03410	0.7
69.07059	0.6
70.06577	0.9
70.47278	0.8
79.05479	1.0
80.98803	0.5
81.03394	1.3
85.02882	1.6
86.09688	0.9
89.03909	0.9
93.07014	0.8
94.06538	2.2
95.07324	1.0
95.08569	0.7
96.08073	2.2
97.02873	0.8
97.06494	0.5
105.06977	0.8
108.04451	0.7
108.08084	2.8
109.10125	0.6
110.09677	3.8
116.04941	1.7
120.08134	2.7
121.06424	0.6
122.06005	4.8
124.07552	2.6
132.05338	0.5
134.05988	0.9
136.07574	6.0
137.05998	0.9
138.09117	6.4
142.68648	0.5
144.04428	5.2
145.08542	1.4
146.05920	1.6
148.07559	0.6
150.05453	1.6
152.07101	0.6
155.08492	0.9
160.03952	0.6
160.07539	0.9
162.05470	3.8
163.03876	2.6
164.07065	0.8
165.09093	1.2
166.08617	8.4
170.09631	3.3
172.03922	31.7
172.07504	1.1
172.09911	0.7
172.11217	0.9
173.04488	0.9
174.05414	1.0
175.08661	0.9
183.06796	1.0
184.07547	0.7
185.08502	0.6
187.12315	3.8
188.10635	0.6
189.20752	0.6
190.04973	4.2
197.08269	0.8
198.09106	20.8
199.09503	0.6
200.09326	1.6
200.10884	0.9
204.06535	48.1
205.06807	1.6
206.07974	0.7
212.10716	4.2
215.11774	17.8
216.10219	0.7
225.10156	2.0
226.08591	7.0
227.08002	0.5
227.11790	2.0
228.08867	1.3
239.11731	1.1
240.10321	2.8
241.09645	2.3
241.13290	1.6
242.10321	1.0
243.11259	93.6
244.11610	3.7
251.11679	0.8
255.11252	6.9
256.11929	1.0
257.12823	5.3
267.11197	0.8
269.09256	1.3
279.07831	0.6
279.11081	1.3
283.10858	1.3
285.12305	80.9
286.12643	2.6
297.12253	1.3
301.11786	6.3
303.13354	100.0
304.13776	4.0
313.11810	0.9
315.09540	1.2
325.11624	4.2
329.14444	0.8
343.13052	0.7
357.14395	12.0
358.15048	2.0
359.15927	1.6
418.17514	0.6
428.15927	0.6
462.16418	2.8
474.16507	1.5
476.18018	0.7
487.17105	1.2
494.19141	2.5
506.19138	1.0
524.19934	0.8
583.25513	5.5
599.25000	2.4
627.24384	16.4
628.24493	1.3
641.25812	0.8
659.26978	2.1
821.27777	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	821.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	1.8
70.05663	1.8
70.06010	2.5
85.02905	3.9
93.48260	1.3
94.06606	2.0
96.08114	2.2
97.02923	1.4
108.08125	2.1
110.09662	4.5
110.10374	1.4
120.08086	3.0
122.06030	3.8
124.07567	5.0
136.07549	6.8
137.05962	1.4
138.09152	5.3
144.04414	4.0
146.05998	2.5
152.07004	1.8
162.05496	3.7
166.08612	10.0
170.09659	2.3
172.03914	29.7
174.05498	1.4
187.12343	3.8
190.04985	7.4
198.09120	15.5
200.09346	2.5
204.06543	46.1
212.10864	2.2
215.11780	16.8
226.08607	5.5
227.11717	3.1
241.09637	2.0
241.13570	2.2
243.11261	95.8
244.11621	2.6
255.11331	8.2
257.12878	5.7
285.12314	80.5
286.12735	2.8
297.12299	2.1
301.11783	9.1
303.13354	100.0
304.13757	2.7
325.11725	7.3
343.12344	1.8
357.14429	11.0
358.15054	1.8
359.15894	1.7
418.17453	2.6
429.14081	1.9
462.16571	3.3
470.16318	1.5
474.16299	2.0
476.18192	3.9
494.19269	2.6
583.24902	3.2
591.98663	1.6
599.24884	1.7
627.24261	14.0
641.25659	9.7
821.28998	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	821.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20234	2.1
65.41201	2.2
70.09170	2.0
71.05000	8.6
79.05486	4.0
81.03430	4.8
84.09025	2.2
89.03902	2.5
91.05470	4.3
93.07084	3.1
94.06557	5.2
96.08099	4.7
97.02914	4.3
108.08108	13.0
109.02887	2.7
110.09700	7.1
116.04990	2.9
117.03368	4.4
120.08125	7.4
121.02874	7.0
122.06027	6.2
122.09694	4.3
124.07562	3.8
127.03968	2.8
127.07546	3.6
136.07565	14.5
137.05991	5.4
138.09117	11.5
144.04466	2.5
145.02844	13.1
145.08617	17.1
146.06010	11.0
147.04462	3.4
148.07587	4.9
149.06061	4.2
151.03900	10.1
162.05534	3.0
163.03938	3.9
166.08632	6.3
167.06999	3.3
172.03934	14.8
174.05542	3.8
175.03680	11.4
177.05469	20.1
187.87679	2.3
190.05045	9.1
198.09169	3.9
204.06558	18.4
205.04700	34.4
215.11911	5.2
218.05589	5.1
225.10263	6.2
227.11852	3.2
232.07272	3.7
237.10223	3.0
241.09718	3.6
243.11320	25.1
249.09953	2.9
251.11827	4.8
265.09708	4.8
267.11508	3.0
269.09180	2.9
271.05945	2.9
271.10742	3.3
279.11172	5.1
281.12903	3.4
283.10794	3.5
285.12308	21.9
287.10278	3.0
303.13376	17.4
325.11771	8.8
357.14719	5.7
358.15533	3.6
374.15125	6.4
385.13370	5.4
386.15143	5.8
399.14175	4.8
402.14606	3.7
404.16443	3.7
411.14404	9.1
414.14819	6.8
415.14737	4.4
416.16269	3.4
425.16003	3.0
429.15247	3.4
437.96799	2.4
456.15921	2.8
474.17035	3.7
548.20325	3.3
561.02106	2.5
595.21320	4.6
609.23932	3.2
618.20178	2.8
627.24561	4.1
641.24524	2.9
717.45605	2.8
729.27875	3.9
735.25763	2.7
743.29462	4.2
753.27893	6.2
771.28589	100.0
772.28302	11.5
803.30829	6.8
821.29639	83.0
822.29889	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	822.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28670	0.3
65.03926	3.2
69.03412	1.8
69.46842	1.4
70.06581	0.9
71.04978	5.7
73.02902	0.4
81.03400	4.6
81.07035	0.3
85.02897	2.0
85.06539	1.8
86.09689	0.4
95.04940	3.0
97.02844	1.7
99.04422	1.0
108.26972	0.3
109.02857	3.4
111.04440	2.0
113.05978	1.4
121.02847	68.1
121.03848	2.3
122.03180	1.0
127.03945	1.6
127.07526	4.2
127.33756	0.3
131.07013	0.6
132.04428	8.0
134.05942	0.3
137.05931	0.6
138.09099	0.3
139.03879	3.5
141.05351	0.6
145.04912	0.8
145.08569	14.0
155.06993	2.3
160.03917	0.4
163.03880	0.8
172.03929	0.9
173.08069	1.0
175.03616	0.6
178.04961	60.6
179.05287	1.8
204.06577	1.2
206.04451	100.0
207.04805	2.3
215.11694	0.4
243.11252	1.0
244.11555	0.5
255.11414	0.3
265.07034	5.4
270.96814	0.3
283.08075	4.5
285.12225	0.9
286.12677	0.5
293.10138	1.2
299.11160	0.5
303.13242	0.8
304.13678	0.7
317.12183	0.6
320.74374	0.3
368.34000	0.3
488.11786	19.2
489.11694	1.0
626.98627	0.4
650.16681	0.9
822.24976	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	823.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03894	0.9
65.03898	1.2
67.05500	1.4
69.03402	2.2
69.48392	3.3
69.48800	2.1
79.05486	2.9
80.05025	1.7
81.03397	4.0
85.02891	2.1
91.05450	2.0
93.05787	1.2
93.07028	3.0
94.06538	10.3
95.04992	2.1
95.07366	1.9
96.08121	6.2
97.02859	1.4
100.75394	1.1
101.53712	1.0
103.05426	1.9
106.06576	2.4
107.07315	1.9
108.04512	1.5
108.08102	19.4
110.09648	8.9
116.05011	1.9
118.06551	2.3
120.04462	2.0
120.07286	1.6
120.08088	15.3
121.02853	1.7
121.08865	1.1
122.06013	13.8
122.09635	6.6
124.07561	3.8
132.08040	2.3
134.06001	4.1
134.09622	1.6
136.07550	19.3
138.05475	1.4
138.09137	14.2
144.04407	1.8
146.05995	10.1
148.07559	15.4
150.09135	8.2
152.07053	11.4
155.34143	1.1
160.03911	1.3
160.07605	5.3
162.05367	1.9
164.07036	7.8
166.08617	16.7
172.03897	13.3
174.05396	2.1
176.07028	1.5
180.10211	1.4
182.08134	1.4
182.09607	1.4
190.04956	7.0
197.10648	1.3
198.11496	1.8
199.12172	2.4
202.08569	1.2
204.06523	13.7
205.06888	1.8
209.10576	2.0
210.11420	2.3
211.12216	6.7
212.12953	1.8
213.13770	1.4
220.09915	1.0
220.58954	1.0
221.10725	1.6
222.11436	1.0
223.12247	3.9
224.12814	1.4
225.10132	4.9
225.13707	2.3
226.10872	2.1
227.11678	6.8
235.08571	1.0
235.12375	1.0
236.09322	2.4
237.10172	7.8
237.13817	2.3
238.10846	4.9
239.11719	14.6
240.12521	6.1
241.09750	1.2
241.13303	2.9
243.11333	1.3
248.09286	1.4
249.10153	7.5
250.10823	6.5
251.08018	2.3
251.11754	24.2
252.12566	6.6
253.09679	2.4
253.13292	9.7
255.11353	5.0
259.14426	1.5
263.11755	19.1
264.08969	1.6
264.12390	5.6
265.09793	7.2
265.13284	9.7
266.10474	4.2
266.14023	5.9
267.11206	8.4
267.14883	1.2
268.11740	2.7
269.12830	2.8
271.10574	1.3
273.12375	1.1
275.11719	1.9
277.09628	4.4
277.13278	2.5
278.10428	3.9
279.11221	23.9
280.11911	4.9
281.12775	10.5
283.10739	1.8
285.12430	4.8
291.11224	12.6
292.11868	4.2
293.09686	1.7
293.12759	9.6
295.10828	4.9
295.14078	1.3
297.12305	14.1
298.12842	1.6
299.13846	7.1
301.15369	1.3
305.09299	1.8
305.76578	1.1
307.10709	3.9
309.12228	5.9
310.12967	1.8
311.10303	2.3
311.13828	29.6
312.14230	2.7
313.15302	2.1
319.10687	10.4
321.12231	4.2
323.10242	5.1
323.13745	1.9
325.11816	8.1
326.12329	1.5
327.13321	2.0
328.14227	1.1
330.16077	2.3
333.12204	1.3
337.11792	3.2
338.12134	1.3
339.13324	5.9
341.11609	1.4
344.17416	1.6
351.13297	1.5
353.11102	1.5
353.15097	2.0
355.12827	4.1
356.13562	1.3
357.14404	4.5
358.15204	2.2
358.19189	2.1
367.12485	1.4
369.14398	2.8
370.15250	2.6
372.17050	2.4
379.12680	2.5
381.14090	2.4
383.16147	1.6
395.15762	1.5
398.14520	2.0
402.17947	1.4
411.15408	4.2
413.16833	1.3
417.15161	1.4
418.21124	3.0
419.16028	1.0
423.15225	2.5
424.15866	1.2
429.16339	2.2
430.17551	2.9
435.15390	2.4
437.16910	1.2
439.14783	3.0
441.16504	2.6
443.17953	1.4
444.18741	1.4
446.20453	3.4
453.16473	6.9
454.17010	1.1
459.17273	2.8
461.19409	1.2
463.15027	1.9
469.15811	2.7
471.17484	10.9
472.18475	1.7
473.19769	1.2
476.17734	1.4
481.16049	10.3
482.16864	1.5
506.19141	1.1
508.19858	1.5
518.22772	1.5
551.71381	1.3
566.24481	2.4
576.22803	1.2
578.25018	2.0
588.23297	1.8
590.24481	2.1
591.22345	2.0
592.22626	1.4
593.23242	3.2
594.24103	4.1
606.24347	34.1
607.24463	2.3
608.25922	49.1
609.26324	5.2
616.22253	1.4
620.22455	2.2
628.24731	1.8
629.25360	6.0
630.24011	1.2
634.23792	53.5
635.24609	5.4
636.25745	1.9
652.24603	7.0
666.26440	100.0
667.26605	9.1
729.30695	1.5
731.28955	1.7
755.28986	17.2
756.28540	1.6
773.29980	8.0
787.30902	2.7
791.31323	20.5
792.31140	3.0
823.33417	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	823.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.2
69.03431	3.2
85.02891	3.7
93.07034	6.8
93.88844	1.9
94.06550	8.2
95.04967	4.2
95.07344	6.4
96.08110	18.8
103.26899	1.9
107.07294	2.0
108.08118	18.6
110.09660	29.4
116.04949	2.6
120.04459	7.8
120.08078	19.4
121.94330	1.8
122.06030	6.1
124.07575	6.2
131.48668	2.0
134.05989	3.4
136.07539	16.5
137.05939	4.5
138.05492	5.2
138.09108	46.3
138.10133	3.0
144.04440	5.9
146.06009	6.2
148.07600	9.5
150.09109	2.5
160.03949	3.1
162.05545	6.7
164.07030	2.2
166.04968	2.4
166.08607	82.2
167.07031	2.5
172.03908	62.0
172.05319	3.6
174.05521	3.5
183.34561	2.0
190.04970	24.4
204.06520	65.6
211.08624	3.4
224.09500	2.6
225.10251	6.3
226.10822	2.3
227.11832	6.4
236.09502	3.6
237.10176	12.2
238.11024	2.6
239.11787	4.8
241.09810	3.5
247.14291	2.4
249.09917	2.2
251.08157	3.4
251.11877	9.7
252.08978	2.5
253.09695	6.4
255.11324	6.3
264.08994	3.4
265.09723	19.5
266.10461	5.2
267.11267	6.6
269.12845	5.9
271.06085	3.0
271.10751	8.3
273.12375	7.6
278.06598	5.0
279.11209	13.6
280.08325	2.2
281.09308	4.0
281.12741	3.8
283.10767	11.0
284.11301	3.5
285.12106	4.3
287.13892	6.2
291.11301	2.5
293.09079	19.8
294.09872	6.0
295.10812	2.4
297.12311	8.5
299.10361	3.1
299.13705	3.0
300.11084	2.8
303.13531	2.7
307.10938	6.7
309.12042	2.1
311.10495	2.7
312.10962	4.8
313.11862	6.0
314.12808	2.3
323.10419	5.3
325.11761	29.3
327.13260	2.9
335.10187	8.6
339.13696	2.4
341.11230	16.6
342.12259	3.3
343.12943	4.5
353.11279	20.0
356.13864	2.5
357.14423	31.8
358.14966	3.6
373.13882	11.1
385.13913	8.9
398.14951	5.1
399.15756	12.0
404.15686	3.0
416.15970	5.4
440.15845	3.6
446.17377	3.0
458.16940	11.0
460.18228	2.5
465.18936	3.4
478.19589	5.2
487.16867	3.4
488.18085	6.1
490.19617	3.3
506.19092	100.0
507.19211	8.6
510.22147	5.6
520.20801	10.4
534.17267	2.5
538.21747	89.0
539.21924	6.9
611.24988	38.5
612.25098	4.1
629.25958	3.5
643.27771	11.1
773.29468	7.9
823.26587	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	823.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72691	1.1
63.47106	1.0
65.03941	2.7
67.05487	1.1
69.03412	1.3
79.15127	1.3
85.02921	3.1
91.05486	1.0
92.04993	2.2
93.90142	1.1
94.06581	3.8
95.04982	2.4
95.07346	1.8
95.08577	1.1
96.08127	4.0
105.07004	1.5
106.06535	11.3
107.07319	1.8
108.04510	1.7
108.08096	11.2
109.02882	1.2
110.09653	9.6
120.04459	13.3
120.08067	7.3
122.06018	3.2
122.09667	1.5
124.07634	1.5
126.09100	1.7
127.03822	1.3
128.45276	1.1
132.08107	1.2
134.06050	1.8
136.07555	15.2
138.05492	5.8
138.09100	12.1
148.07544	56.0
149.08171	1.2
150.09172	1.4
152.07040	1.7
154.08611	3.3
162.05475	11.6
162.08865	1.0
164.03436	3.9
166.08614	100.0
167.09058	1.5
174.09096	9.4
178.04944	22.1
182.08174	2.8
184.09964	1.7
188.01720	1.6
188.03391	25.6
194.08090	2.7
195.09106	1.7
196.05995	6.2
197.10640	1.5
199.12390	1.2
203.08133	1.1
206.04448	3.1
211.12270	1.5
213.10231	1.3
225.10220	4.1
227.11720	6.2
229.13377	3.8
237.10120	1.6
238.11041	1.5
239.08118	3.7
239.11823	1.8
241.09679	4.5
244.83246	1.2
245.12811	2.9
249.10278	2.3
251.08116	2.0
253.09676	8.9
255.11188	7.0
265.09641	8.7
266.10645	3.3
267.11258	9.8
269.09097	2.0
269.12933	2.2
271.10907	3.9
271.14359	37.3
273.12283	6.4
279.11368	1.6
281.09299	2.9
282.09827	2.3
283.10684	3.6
285.12329	5.9
289.15424	16.1
293.09222	6.5
294.09903	1.1
295.10770	5.6
297.12479	3.3
299.10312	7.2
303.13446	1.6
307.10876	1.6
308.07471	1.9
311.10272	3.6
313.11749	11.1
315.13364	11.9
316.13858	1.4
317.11380	4.8
323.10263	3.0
325.11823	1.4
329.14893	2.2
331.12851	12.5
341.11212	5.9
347.15915	13.1
358.15628	2.8
359.12503	2.5
373.13843	3.2
378.17911	1.8
388.16406	1.5
404.16040	4.2
406.17337	6.8
418.17551	1.8
420.19092	2.3
428.16284	1.3
432.19336	1.5
435.11691	1.5
446.16882	6.2
447.17819	3.5
448.18665	9.6
449.19812	1.4
462.20190	1.8
464.17957	10.6
465.18674	1.7
466.19492	1.7
476.17783	2.0
478.19363	2.2
496.20435	1.7
503.16360	3.1
506.18906	4.1
508.21262	1.9
537.21826	1.2
538.21588	2.0
569.23450	4.2
585.26599	2.7
587.24854	9.3
611.24615	8.6
629.16217	1.8
629.25958	30.7
630.25702	2.1
643.26941	2.1
661.28961	5.2
668.23950	1.7
823.43799	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27871	3.7
59.27514	3.7
69.03449	4.1
69.40233	17.7
70.06569	3.5
74.72182	3.1
79.05495	6.3
81.63327	3.4
85.02878	6.9
88.66620	3.9
91.05453	8.7
93.07024	6.1
94.06544	13.9
95.07361	4.5
96.08088	9.2
97.02889	5.5
107.05006	4.0
108.08112	10.6
109.02881	5.2
110.09667	16.1
115.90498	3.5
120.08086	17.2
122.06009	8.7
122.09669	8.8
123.04408	4.9
124.07577	9.6
127.03914	4.4
131.04948	3.9
135.04436	6.2
136.07567	22.0
137.05965	19.9
138.06236	4.4
138.09103	24.2
145.02821	9.1
146.05998	52.0
147.04440	5.3
148.07582	4.5
149.05884	7.1
150.09131	9.1
152.07059	6.5
163.03883	11.0
164.07050	8.9
166.08620	45.2
167.07037	6.6
167.99847	3.6
169.05008	5.6
172.03891	5.1
172.07628	4.0
177.05501	13.8
179.07144	5.3
190.04971	11.2
194.08203	7.3
199.12291	4.6
201.05450	3.4
205.04767	6.5
209.05742	3.6
215.00613	3.8
219.06386	4.5
222.11308	7.1
225.10277	10.2
226.10860	4.2
227.11789	12.8
237.10165	8.5
238.11101	4.3
239.11734	11.7
248.09215	21.3
249.10135	6.3
250.11102	6.4
251.11772	10.5
253.09863	11.6
253.13304	7.3
261.10416	3.7
263.11703	19.1
265.09634	5.1
267.11194	12.5
268.11957	4.0
269.12778	12.1
271.06042	9.3
271.14359	9.2
277.09695	6.7
279.11221	18.6
281.12836	17.1
282.09857	5.1
283.10480	4.7
285.12128	7.1
286.13306	5.3
287.13788	21.8
289.09845	8.8
291.11169	5.7
293.12808	7.7
295.10562	4.6
297.12231	12.0
299.10495	5.3
299.13858	84.9
307.10721	4.5
309.09201	3.7
309.12363	27.7
311.13885	3.6
312.10800	3.7
313.11874	6.0
315.13739	4.6
323.10034	3.9
325.11609	16.8
327.13315	8.8
328.14001	8.2
329.15005	14.8
331.16605	5.9
335.09848	6.9
337.11716	10.5
339.13315	8.1
341.14987	17.4
343.12723	5.7
355.12958	20.2
357.14340	11.1
358.15292	4.8
367.12732	10.4
369.14386	14.2
378.17984	5.1
387.15311	24.1
390.17932	6.2
399.15683	9.5
402.18130	3.9
416.15866	4.8
420.19296	6.7
429.15637	4.5
432.19180	25.0
440.15692	5.0
458.16882	5.6
461.19919	4.4
476.17883	11.1
487.17056	4.4
490.19278	13.9
494.23035	18.1
508.20657	21.4
520.20770	25.2
522.22400	28.2
585.26917	38.6
611.25073	19.8
624.25110	5.6
629.25372	8.4
650.23157	4.3
656.28082	100.0
657.28619	11.0
682.25970	20.7
683.26270	7.6
773.28735	4.7
823.29059	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	824.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	3.7
67.05484	1.7
69.03419	1.2
69.20551	3.1
70.06573	0.6
72.49088	0.5
75.04452	2.0
76.03732	0.6
77.03917	1.1
78.04694	2.1
79.05468	3.7
81.03395	1.7
82.04186	0.6
85.02910	4.6
85.41447	0.6
89.03887	0.7
91.05463	8.8
93.03388	7.2
93.07051	3.6
95.04965	5.2
97.02880	1.4
97.06496	1.7
102.04664	0.7
103.05455	13.1
103.74424	0.6
103.95892	0.5
105.03387	1.4
105.04515	1.3
105.07003	3.5
106.04164	13.7
107.04942	5.7
109.02792	0.6
109.06483	1.3
110.03648	1.3
111.04472	0.9
114.38175	0.5
115.05438	3.5
117.03354	0.6
117.07007	3.7
118.04150	3.2
119.04902	1.0
120.05714	0.8
121.02864	0.6
121.06493	16.8
123.04409	3.1
124.05201	1.4
125.05964	7.3
127.03874	0.9
129.06984	1.1
130.04140	0.8
131.04921	13.2
133.02872	1.4
133.06480	3.9
134.03600	2.7
135.04395	1.4
135.08061	1.3
137.02351	0.6
137.05965	4.6
138.03110	1.0
138.06708	0.7
139.07550	2.9
141.06950	0.6
142.02556	0.8
143.04932	1.1
144.05614	0.8
145.02843	1.0
145.06471	5.0
147.04395	0.9
147.08076	1.1
148.05176	7.5
149.05959	30.1
150.06354	0.7
151.03859	2.4
151.07500	1.6
152.04636	0.9
153.05469	4.4
153.09084	7.2
156.05688	0.9
157.06412	1.0
159.08046	1.0
161.05968	4.7
163.03856	2.0
163.07518	14.1
165.05423	0.8
166.06213	1.0
167.07018	32.7
168.07451	1.1
171.06487	2.9
173.05972	4.9
175.07550	2.4
176.04633	2.2
177.05457	18.9
177.09105	0.6
179.07004	1.3
181.04935	45.1
181.08536	17.5
182.05316	0.6
187.07509	2.3
189.05502	0.9
189.08939	0.6
191.07013	52.0
192.07471	1.2
193.04909	1.1
193.08566	2.6
195.06465	2.8
201.05409	1.5
201.09120	0.9
203.06981	2.2
205.04704	1.0
205.08650	3.4
207.06508	2.0
207.10152	1.4
209.08060	100.0
210.08420	2.0
217.08511	2.1
219.06329	0.8
219.10072	3.0
221.08017	1.4
233.08043	3.3
235.07513	1.0
235.09598	2.8
237.09137	1.1
245.08109	1.2
248.08261	0.6
263.09131	12.2
265.08380	0.8
266.70047	0.7
267.10129	2.1
271.03159	0.7
271.09753	0.7
292.07236	0.6
293.08157	0.7
295.09512	0.8
297.11246	0.9
322.08380	0.6
325.10599	1.9
339.12445	0.8
341.12723	0.8
346.19199	0.5
355.11661	0.8
357.13290	3.4
367.11774	1.5
369.12949	1.0
385.12778	5.7
387.14310	1.2
399.14230	2.5
409.53903	0.6
417.15393	20.8
418.16003	0.8
486.63022	0.6
551.48871	0.7
577.21375	0.6
579.20685	2.9
775.02155	0.7
817.05103	0.8
824.31262	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	824.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.6
61.04187	0.9
63.10255	0.9
64.49642	0.9
67.05491	11.9
68.05009	4.2
68.48928	1.0
69.03420	5.5
69.07067	2.3
70.06578	14.7
71.04996	2.2
73.02908	6.1
79.01882	0.8
79.05474	9.0
80.04997	5.0
81.03408	2.6
81.07037	7.9
81.97437	1.0
82.06557	7.6
83.04965	1.0
83.08623	1.2
84.08126	3.7
85.02884	6.3
91.03949	4.7
91.05467	3.5
93.07017	6.9
93.32686	1.0
94.06554	1.4
95.04953	1.6
95.08590	7.1
96.08098	4.9
97.02865	6.2
97.06553	1.0
97.10117	0.9
99.04453	1.4
101.02351	2.5
105.07043	2.1
106.06541	2.5
107.08563	4.1
109.02894	1.0
109.10149	3.9
115.19031	0.9
118.06561	1.1
119.08559	2.5
120.08130	1.2
121.10117	2.2
124.07572	3.7
125.09579	1.1
126.09138	2.8
127.03916	1.2
131.08562	1.4
131.98164	0.9
133.10149	1.2
135.11647	1.5
138.05478	1.5
166.98898	0.9
188.14352	1.8
206.15305	2.4
214.33833	0.8
216.13870	1.6
234.14853	8.7
236.16409	8.4
238.18126	0.9
252.15886	1.6
254.17450	11.8
278.17474	1.9
296.18393	3.0
310.20047	2.0
326.19559	1.3
328.21201	3.6
335.25842	4.3
390.88004	1.1
586.41052	6.4
588.42328	8.1
630.43451	3.5
748.46301	1.7
750.48090	1.1
792.48755	100.0
793.48669	8.0
801.13062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02882	2.4
65.03939	4.3
67.05491	98.3
68.10072	2.3
68.98650	2.4
69.03413	7.6
69.07058	38.9
70.03181	5.5
71.04991	4.4
77.03883	2.3
79.05476	79.2
81.03406	6.2
81.07040	100.0
83.04967	9.3
83.08600	18.6
85.02869	8.3
85.06526	5.6
91.05460	59.1
91.78876	2.5
93.07026	75.8
95.04951	16.6
95.08586	68.1
95.09197	2.7
97.02888	6.2
97.06500	10.9
97.10144	18.1
99.08053	3.0
105.04536	6.0
105.07009	52.7
107.04951	6.1
107.08570	53.6
109.02915	2.3
109.06492	11.8
109.10115	31.8
111.08076	4.0
115.05412	2.6
117.07000	19.6
119.05028	2.9
119.08558	36.6
121.06495	4.3
121.10128	30.1
123.08072	5.9
123.11659	7.0
125.09618	14.4
127.03850	3.2
129.06963	7.1
131.08531	32.2
133.10109	27.2
135.08038	4.0
135.11649	15.0
143.08534	5.9
145.10120	24.8
147.11641	23.4
149.09592	10.5
149.13232	7.4
155.08463	3.6
157.10120	8.5
159.11653	17.0
161.13219	8.0
163.11157	10.1
163.14876	4.7
171.11655	3.6
173.13264	10.8
175.14752	3.1
183.11610	5.2
185.13240	6.7
189.11200	10.9
197.13260	3.1
197.35709	2.4
203.14180	3.1
209.10298	3.3
219.17387	4.0
227.12726	15.9
229.14175	2.7
257.18936	8.7
261.22147	7.6
267.15860	3.6
275.20010	36.4
276.94440	2.6
305.78668	2.6
335.25739	59.6
349.23657	28.7
367.25092	3.3
444.67307	3.1
489.35962	3.5
526.17419	2.6
534.64301	3.9
561.47162	2.6
569.41626	4.0
609.44763	30.4
627.45496	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	824.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.0
65.03937	3.9
67.05495	94.1
69.03415	7.9
69.07057	27.4
69.49030	1.9
69.49364	5.6
71.04984	6.9
75.07710	1.4
77.03925	2.0
79.05484	70.2
81.03404	10.2
81.07047	94.1
83.04953	9.3
83.08607	15.5
85.02882	4.7
85.06526	4.2
90.50470	1.4
91.03924	2.2
91.05469	59.2
93.07033	72.5
93.70609	1.3
95.04954	15.7
95.08593	65.8
97.02901	4.1
97.06526	10.1
97.10171	5.6
99.08060	2.0
101.22748	1.4
101.69759	1.4
105.04504	2.8
105.07014	47.6
107.04953	4.6
107.08582	42.4
109.02839	1.7
109.06522	7.3
109.10141	27.8
111.08086	4.3
115.05462	1.7
117.07001	17.3
119.08561	35.3
121.06477	4.2
121.10125	30.7
121.83744	1.3
123.08047	4.3
123.11706	8.4
125.09612	3.7
127.03922	3.0
129.05447	2.0
129.06990	7.5
130.07782	2.5
131.08563	25.6
133.10117	28.9
135.08058	5.1
135.11665	21.6
137.09605	4.1
141.06956	1.9
143.08522	7.0
144.66135	1.3
145.06479	2.2
145.10115	22.1
147.11668	16.7
149.09607	5.9
149.13240	13.2
151.11165	2.2
153.09094	1.6
155.08453	1.7
157.10127	8.8
159.08064	1.6
159.11676	16.5
161.13280	8.1
163.11137	3.3
163.14850	3.7
169.10158	3.9
171.11679	5.2
173.11877	2.8
173.13249	9.5
175.11073	1.7
175.14816	2.7
177.12747	1.7
183.11647	3.0
185.13235	4.7
187.11246	1.6
187.14880	1.5
189.11145	1.9
189.16451	2.0
195.13760	3.6
197.13208	2.8
199.14783	3.4
201.16423	3.2
203.14320	3.4
211.14706	1.8
217.15854	2.6
219.17384	4.9
227.12675	2.8
229.14354	5.8
229.19501	2.5
235.16978	2.4
239.17998	2.5
243.20970	2.5
247.20526	2.2
255.15939	4.2
257.18933	8.2
259.20462	2.9
261.22128	9.3
266.37344	1.6
269.17474	17.3
275.15756	1.7
275.16760	1.7
275.20044	28.1
283.18973	2.5
293.21063	2.5
309.20468	8.6
317.24969	2.3
331.22601	3.2
333.24118	3.0
335.25754	100.0
336.26068	5.6
349.23645	24.0
367.24646	3.8
383.33069	1.6
489.35464	7.7
515.36951	5.8
529.38843	39.3
530.39954	2.9
543.40460	4.0
569.41949	23.5
570.42206	2.4
609.45007	25.2
619.47644	1.9
627.46051	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	824.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	1.5
61.02917	4.0
65.03935	5.1
67.05493	100.0
69.03429	6.1
69.07056	34.5
69.64165	3.5
71.04982	4.4
77.03932	1.8
78.58418	1.1
79.05479	78.7
80.06259	1.2
81.03410	5.6
81.07043	93.4
83.04980	8.3
83.08601	17.9
85.02892	6.2
85.06542	2.3
91.05463	57.1
93.07027	73.8
95.04955	14.7
95.08590	58.0
97.02881	3.6
97.05936	1.5
97.06509	11.9
97.10148	15.2
99.04456	1.8
99.08080	1.8
99.49845	1.2
101.99613	0.9
103.05458	2.2
105.04483	2.6
105.07011	50.7
107.04943	7.0
107.08575	51.7
109.02874	1.3
109.06503	8.7
109.10139	26.2
111.08073	4.4
113.05969	1.7
115.05403	1.1
117.06996	18.8
119.08556	37.8
119.09408	1.9
121.06503	2.9
121.10123	29.1
123.08067	3.7
123.11694	8.1
125.09603	12.6
127.03918	3.4
128.06219	1.6
129.07007	6.9
130.07829	1.5
131.08537	23.6
131.09448	1.7
133.06482	1.7
133.10101	29.7
134.10394	1.3
135.08054	3.5
135.11667	19.3
137.09616	3.1
137.13191	1.8
141.06985	2.8
143.08569	6.6
145.05006	1.5
145.10101	21.2
147.08044	1.7
147.11650	19.0
149.09592	10.7
149.13214	8.8
151.11143	1.8
155.08611	2.2
156.12938	1.2
157.10071	6.6
159.08044	1.4
159.11656	13.8
161.09642	2.1
161.13240	6.7
163.11176	6.2
163.14771	2.6
165.12764	2.2
169.10106	3.6
171.11589	5.8
173.11777	2.2
173.13274	8.3
175.11194	1.2
175.14806	3.7
177.12733	2.0
179.14281	1.5
183.11684	3.3
185.13229	6.2
187.11220	1.4
187.14815	3.1
189.11192	7.3
189.12674	1.4
191.14265	1.2
193.12169	1.2
197.13304	3.5
199.14819	1.7
201.16364	1.9
203.14334	1.8
210.99518	1.1
211.14792	2.4
215.17957	1.4
219.17409	4.4
227.12738	15.2
229.14320	4.3
229.19435	2.0
239.17923	3.4
241.19583	1.4
243.20927	2.4
247.20592	2.2
253.17888	1.2
257.18948	9.8
259.20609	2.8
261.22070	9.0
267.15854	4.9
269.17490	3.2
275.20020	41.5
277.21689	1.8
293.21167	3.6
315.23251	1.6
317.24921	1.6
331.22644	2.6
333.24225	1.9
335.25751	85.0
336.26202	2.0
349.23712	33.8
351.25397	1.3
367.24866	1.5
373.18692	1.3
431.31589	2.5
486.23328	1.1
489.35760	4.8
505.35150	4.9
513.39423	2.8
515.37048	3.2
529.38867	5.7
545.38171	2.5
569.41815	3.7
609.45081	48.1
610.45447	2.8
627.46155	5.5
628.46045	1.3
653.28455	1.2
826.11963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.461
Annotation	Yiamoloside B
Peak:m/z	Relative Intensity
61.02685	0.5
61.02921	7.5
65.03917	1.3
67.05492	11.4
69.03416	28.6
69.07054	6.2
71.01347	1.3
71.04985	3.4
71.08614	0.8
73.02902	3.5
77.07717	0.6
79.05477	7.5
81.03404	9.9
81.07044	18.0
83.01315	1.0
83.04942	1.8
83.08606	5.1
85.02887	100.0
86.03213	0.8
87.04453	3.7
91.03943	3.6
91.05461	9.5
93.07022	14.6
95.04949	2.3
95.08583	13.1
97.02869	34.7
97.10152	1.7
98.22684	1.3
99.04449	6.2
101.02361	1.3
103.03923	1.1
105.04510	0.9
105.07010	14.0
107.04919	0.9
107.08569	20.6
109.02857	11.5
109.03479	0.4
109.06513	2.5
109.10129	19.9
110.10472	0.7
111.08067	1.7
115.03876	1.1
115.05448	1.1
117.07020	3.3
119.04935	0.8
119.08553	7.6
121.06484	5.9
121.10116	10.7
122.23656	0.6
123.08060	2.1
123.10960	0.4
123.11678	15.3
127.03886	27.3
128.06235	1.1
129.06979	2.5
130.07774	0.9
131.08537	6.4
132.71416	0.6
133.06473	1.7
133.10098	4.8
135.08014	4.0
135.11667	3.8
137.09543	0.8
137.13187	0.9
139.07541	1.0
139.11128	0.9
141.06970	1.4
142.07796	0.9
143.08499	4.7
144.09294	0.9
145.04929	30.1
145.06548	1.2
145.10081	8.8
147.08063	3.6
147.11649	4.8
149.09586	2.0
149.13235	4.8
151.11087	0.9
151.14705	0.6
153.07166	0.7
155.08499	2.8
156.09348	1.4
157.06512	1.5
157.10106	5.1
159.08014	6.9
159.11653	6.6
161.09573	4.2
161.13237	2.4
163.06047	4.8
163.11096	1.3
163.14781	5.9
167.08604	1.0
169.10092	3.3
170.10835	0.6
171.08047	1.8
171.11594	3.6
173.09586	14.3
173.13153	3.0
175.11162	6.3
175.14783	1.6
177.16377	6.5
179.08466	0.9
181.10121	2.2
182.10907	0.8
183.08031	0.7
183.11717	2.7
185.09610	2.7
185.13228	3.5
187.11131	5.7
187.14832	1.6
189.12660	2.8
191.14188	0.9
193.10074	0.9
195.11646	1.6
197.09644	1.1
197.13208	4.2
199.11121	4.7
199.14751	2.9
201.12738	2.6
201.16342	1.7
205.94518	0.7
207.11765	1.1
209.13260	2.5
211.11215	1.7
211.14819	2.3
213.12743	3.8
213.16333	3.8
214.13377	0.7
215.14281	9.7
215.17766	1.3
216.14624	0.8
221.13235	2.0
223.14767	2.0
224.15393	0.6
225.12691	1.4
225.16347	1.5
227.14256	3.4
227.17999	0.8
229.15843	9.6
233.13197	1.0
233.15233	3.4
235.14711	1.2
237.16345	1.6
239.14240	1.5
239.17883	1.3
241.15848	5.1
243.17398	3.0
245.15372	1.3
247.14630	1.3
247.16875	8.3
249.16245	0.7
251.14328	0.8
251.17810	0.7
253.15756	1.3
253.19582	0.8
255.17479	1.6
255.21233	0.8
257.18997	0.6
259.16876	7.3
261.16150	0.7
261.18481	2.8
263.17987	2.2
265.15845	0.9
265.19440	1.2
267.17410	1.3
267.21069	1.3
269.19095	0.6
273.18539	0.7
277.19275	0.9
279.17386	1.4
279.21112	0.9
281.18976	8.1
281.21964	0.8
282.19620	1.3
283.16995	2.0
283.20557	7.6
285.18466	1.8
285.21774	0.6
289.19409	1.3
291.21112	0.8
293.22464	0.8
295.20538	1.6
297.18491	6.2
297.22110	9.1
299.20013	19.3
299.23441	1.1
300.20502	1.3
301.21597	9.9
303.20673	0.7
305.22589	0.9
309.22186	1.8
311.19998	1.7
311.23416	1.0
313.21567	4.9
315.23114	2.7
321.22107	1.6
323.23645	1.6
325.21652	1.6
327.23029	3.3
329.24728	0.9
331.24243	1.2
333.25595	0.6
335.23740	2.5
339.23172	2.5
341.24744	2.2
349.24979	1.6
353.24719	6.3
357.24399	0.7
367.26199	2.1
387.30432	5.0
405.31485	16.0
406.31595	0.9
421.21725	0.9
423.32513	32.4
424.32968	1.9
441.33569	2.2
447.32336	1.0
461.25156	2.5
463.26962	1.0
465.33606	2.6
483.34601	23.9
484.34686	1.5
567.35590	0.7
585.37793	4.7
611.30353	0.8
645.40106	5.2
663.33411	0.7
677.34991	1.4
747.42822	8.3
748.42023	0.7
807.45215	1.0
825.38165	6.1
837.69885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4935
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
61.02917	6.1
61.69772	1.0
65.10729	1.0
67.05492	12.9
68.05032	1.8
69.03410	8.0
69.03677	0.7
69.07068	4.1
70.06578	7.2
71.01339	0.8
71.04980	100.0
73.02909	4.1
79.05475	14.6
81.03408	4.3
81.07050	9.1
83.04981	1.2
83.08615	3.0
84.08131	5.9
85.02882	4.4
86.06050	5.3
88.03979	5.2
91.03960	2.2
91.05457	7.6
93.07012	10.3
95.04958	2.9
95.08586	6.6
96.08125	10.3
97.02869	6.8
97.10149	5.3
98.06041	5.0
98.85578	0.8
101.02360	1.6
103.15383	1.0
105.07044	3.5
106.06535	1.3
107.08588	7.3
109.06516	1.0
109.10168	3.6
111.08116	1.1
112.07584	7.1
117.07024	2.0
119.08606	2.1
121.10135	1.9
124.07557	5.4
125.09628	3.6
131.08562	1.5
135.08031	2.2
135.11682	1.3
141.07895	1.7
142.08606	7.5
143.10765	0.9
149.13248	1.2
153.09145	1.3
158.08102	10.3
163.11223	1.2
170.08176	3.8
185.76097	1.1
189.11205	1.7
202.10777	1.2
227.12723	5.1
248.16457	1.1
317.51547	0.9
335.25702	6.8
444.44434	0.9
646.43170	1.2
664.43970	2.2
826.49286	87.8
827.50085	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	826.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.4
64.84979	1.2
66.45114	1.2
67.05492	16.9
68.93006	1.4
69.03420	9.8
69.07064	3.2
69.89880	4.2
70.02948	1.5
70.06589	10.7
70.15685	1.1
71.04981	100.0
73.02916	4.0
79.05477	15.7
81.03419	3.7
81.07034	9.7
83.04950	1.3
83.08614	3.0
84.08160	4.8
85.02900	5.3
86.06087	5.0
88.04005	5.1
91.03956	2.7
91.05457	8.0
93.07035	11.3
95.04935	3.0
95.08586	6.9
96.08107	11.6
97.02892	5.5
97.06564	1.3
97.10176	6.1
98.06075	5.3
104.10754	4.0
105.07014	3.5
106.06525	1.3
107.08579	8.5
109.10178	3.9
111.08047	1.9
112.07610	5.7
117.07041	3.4
117.18044	1.2
119.08590	2.4
121.10169	3.0
124.07600	6.7
125.09633	3.6
127.03956	1.8
131.08559	2.2
133.10147	1.5
135.08063	3.2
135.11679	2.4
142.08609	8.1
145.10120	2.2
158.08113	11.8
170.08183	4.2
189.11214	1.7
225.32256	1.3
227.12836	4.1
335.25766	7.2
481.48404	1.5
664.44336	1.9
826.49316	88.5
827.49646	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	827.272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38568	1.0
95.04996	1.2
98.22717	3.1
124.55342	1.3
137.05896	1.4
151.03880	1.5
185.04295	3.4
198.28864	1.2
203.03076	1.4
204.04091	1.5
235.01387	1.1
271.06262	2.1
286.08377	1.3
322.40143	1.3
367.10153	1.6
394.13824	1.4
421.12799	3.8
423.14182	1.8
425.12033	2.3
439.13788	2.0
440.14041	2.5
449.14236	7.0
573.19666	2.3
578.58240	1.2
583.18103	2.3
587.17346	3.3
601.10565	1.3
601.18384	8.1
602.19672	29.4
603.20471	9.2
653.06494	1.4
665.21887	1.9
797.25934	2.4
827.27167	100.0
828.27600	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60584	2.1
83.41322	2.6
84.77166	2.2
109.10147	2.1
109.36128	2.0
147.04428	2.8
177.05597	2.6
220.94058	2.4
271.06021	3.6
283.35126	2.6
632.20239	4.2
673.20422	4.0
777.71130	2.2
795.26324	59.0
796.26337	4.1
827.28815	100.0
828.29480	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	827.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	5.1
61.02923	9.3
67.05493	4.4
69.03419	33.6
69.07049	2.0
69.30859	1.3
71.04978	3.6
73.02919	4.6
75.47679	1.4
79.05482	5.5
81.03411	11.0
81.07035	10.4
83.04951	1.3
85.02892	100.0
86.03211	1.3
87.04457	4.7
88.43340	1.3
91.03960	3.2
91.05457	6.2
93.07055	5.8
95.04945	2.2
95.08593	9.4
97.02876	35.0
97.06532	3.7
97.10172	3.3
99.04417	6.2
101.02356	1.5
105.06995	10.1
107.04944	1.4
107.08563	9.1
109.02840	11.1
109.06519	4.2
109.10159	6.5
111.08060	1.9
111.40895	1.2
113.09638	1.4
115.03880	1.4
117.07000	2.7
119.08559	7.0
121.06458	6.3
121.10127	4.4
123.08041	3.1
123.11710	2.1
125.09636	4.4
127.03894	28.3
127.07619	1.3
127.11179	1.7
129.09245	1.1
131.08531	11.5
133.06483	2.0
133.10139	5.7
135.08035	4.0
135.11647	1.3
137.09572	1.7
141.06998	1.6
142.07785	1.2
143.08539	5.3
143.10638	3.9
145.04932	30.3
145.10101	7.6
147.08049	3.2
147.11671	5.4
149.09612	1.6
151.11237	1.2
155.08568	2.1
157.10121	4.9
159.08003	4.1
159.11687	4.4
161.09630	4.1
161.13251	2.7
163.05988	2.2
163.11061	1.7
164.20700	1.2
167.08464	1.4
169.10089	3.7
171.11646	2.2
173.09590	6.3
173.13257	4.0
175.11140	3.1
179.14185	1.2
183.11627	2.5
185.13264	3.6
187.11172	3.4
187.14790	3.7
189.12735	3.4
195.11621	2.3
197.13222	4.4
199.11206	1.8
199.14844	1.7
201.12675	4.4
207.11668	1.2
213.12781	1.9
215.14297	6.0
221.13284	2.1
223.14848	4.6
225.16301	2.0
227.14241	1.4
229.15903	7.4
233.15353	2.2
239.14217	1.7
241.15906	2.7
246.70049	1.2
247.16919	4.3
253.15733	1.5
259.16867	2.2
263.17877	2.6
267.17294	1.5
267.21317	1.3
281.18884	3.1
283.20511	3.3
285.18564	1.2
297.18414	1.5
299.20004	5.4
301.21640	2.2
305.13370	1.4
313.21606	1.3
321.22104	1.6
323.23364	1.5
325.21606	2.3
327.23138	3.5
351.23102	1.2
355.26224	2.4
383.29721	1.4
389.28326	5.3
407.29309	22.2
408.29794	1.8
425.30450	34.7
426.31006	2.5
443.31442	20.6
444.32089	1.4
485.32333	7.7
503.33615	31.2
587.35870	3.7
605.36383	4.4
647.37939	2.2
665.38660	9.9
795.25598	3.6
822.60034	1.7
827.28546	20.5
827.42621	1.7
828.26019	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	828.343
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	12.6
67.05522	3.6
72.92416	2.5
73.51003	2.5
79.05486	7.6
85.42321	2.8
86.89670	3.3
90.11144	2.9
91.05473	10.3
93.03401	5.3
93.07030	4.2
95.04958	14.9
105.07021	7.5
107.04923	14.7
110.03675	7.0
111.04444	10.9
117.06950	3.0
119.04974	5.8
121.02904	7.1
121.06508	4.1
123.04424	8.1
125.05968	10.2
129.06996	8.0
131.04939	6.6
133.02827	5.7
133.06497	6.0
135.04524	2.9
137.05995	13.0
145.06477	5.7
145.08638	4.4
147.07875	3.0
149.05971	4.0
151.07512	14.6
152.04558	3.5
153.05452	48.0
155.07053	6.6
159.08060	10.3
161.05931	13.7
167.07027	100.0
175.07536	19.2
177.05486	5.4
179.07034	5.0
181.04976	10.5
183.06541	2.8
187.07538	19.9
189.05473	3.3
189.07037	3.6
191.07018	11.5
193.08531	3.9
195.08109	3.4
197.06018	4.1
199.07585	6.8
209.08067	10.3
219.08006	4.8
221.09734	4.1
223.07568	4.1
225.07475	7.2
231.08165	3.4
234.06795	4.3
235.07564	7.4
237.09059	4.2
239.10655	4.5
247.07468	4.4
248.08287	3.1
249.09187	7.8
251.07024	4.2
251.10750	4.3
253.08601	9.7
261.09171	4.2
262.09796	3.4
263.06873	6.8
264.07556	4.5
265.08572	7.3
266.09430	5.8
267.10251	5.2
269.11530	3.2
277.08554	6.4
278.09323	5.1
279.10178	6.1
281.11923	6.0
289.08560	6.9
291.10312	4.5
294.08777	3.6
295.09564	8.4
307.09509	6.2
309.11215	13.0
311.12656	4.9
321.11176	7.5
325.10745	14.7
325.14047	3.4
327.12231	6.9
329.13812	5.0
337.10669	17.9
339.12244	45.7
340.12805	5.5
341.13818	42.1
351.12231	8.5
351.18204	2.8
353.13797	13.4
355.11716	89.6
356.12277	5.4
357.13312	36.0
359.14893	5.5
367.11795	4.7
369.13171	14.8
383.14597	3.1
387.14609	3.1
517.18140	6.0
522.39758	3.1
533.03516	3.3
535.19702	7.1
565.20532	5.5
828.58698	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	829.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56743	2.5
84.73024	0.7
85.02912	1.0
87.34856	0.6
91.05475	0.8
100.10618	0.8
125.49215	0.7
129.05496	1.3
137.06036	0.8
145.08585	0.7
161.05994	1.0
167.07091	1.2
176.04407	1.1
177.05396	1.1
185.04291	2.3
194.06541	0.8
203.06894	0.9
204.03929	1.0
205.04697	10.5
219.06245	1.1
327.11700	0.7
367.10007	1.5
394.13556	0.9
409.12891	0.8
421.12656	1.6
425.12204	2.2
439.13751	1.6
440.14368	5.6
573.19403	0.9
583.17938	0.9
587.17371	0.8
601.18964	1.9
602.19025	1.8
667.23700	7.0
668.24292	1.0
751.41736	0.8
829.28717	100.0
830.29132	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	829.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.0
67.05493	4.5
69.03432	2.0
69.07073	1.8
69.50298	1.7
71.04987	0.7
71.98253	0.5
72.18906	0.5
73.02903	3.2
76.68462	0.5
79.05485	3.0
81.03422	1.2
81.07038	3.6
85.02894	5.0
91.03925	3.1
91.05495	1.9
93.07014	3.3
95.04986	0.8
95.08605	3.2
97.02870	4.0
99.04487	0.7
101.02386	1.4
105.07047	1.4
106.14982	0.5
107.08617	2.0
109.02880	0.8
109.10152	2.0
115.03941	0.8
119.08595	1.1
121.10152	1.8
127.03919	1.7
129.07050	0.5
131.08583	0.7
135.11656	0.6
147.11746	0.6
159.11830	0.5
243.08354	3.4
243.53339	0.5
263.14426	0.6
333.20435	3.1
335.26004	0.7
344.94330	0.5
371.16797	0.6
413.18051	1.1
519.29211	7.8
519.36243	0.8
520.29858	0.6
551.28235	4.1
552.28369	0.6
591.30957	0.7
641.79456	0.5
683.83588	0.6
781.96539	0.5
829.50513	100.0
830.50842	8.6
838.51544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88499	0.4
61.02917	4.2
66.82453	0.3
67.05492	4.2
69.03413	2.8
69.07057	1.6
69.63406	1.3
71.04967	0.4
73.02911	3.0
79.05482	3.0
81.03415	1.1
81.07043	4.1
83.04954	0.6
83.08632	0.6
85.02883	3.3
91.03944	3.1
91.05466	2.2
91.21320	0.3
93.07016	3.6
95.04929	0.7
95.08582	3.0
97.02876	4.3
97.06541	0.6
99.04431	0.5
101.02380	1.4
103.03941	0.4
105.07047	0.6
107.08575	1.7
107.94072	0.4
109.02879	0.5
109.10145	0.9
115.03996	0.4
116.55356	0.4
117.07044	0.5
119.08588	1.1
121.10152	1.4
123.11699	0.5
127.03927	1.4
131.08578	0.7
133.10124	0.4
135.11710	0.7
145.10121	0.7
147.11725	0.7
159.06465	0.4
159.11722	0.6
180.56140	0.3
185.04131	0.5
191.14282	0.4
203.05345	0.4
225.50806	0.3
243.08357	2.2
268.32242	0.3
333.20270	3.6
335.25824	0.5
398.97510	0.3
424.76395	0.4
453.20804	0.5
497.31088	0.4
519.29272	6.9
551.28052	2.6
731.43658	0.4
829.50531	100.0
830.50977	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	829.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66608	0.4
61.02919	7.6
67.05498	8.0
69.03420	5.2
69.07062	2.2
69.18597	1.4
69.19006	0.8
71.01354	0.8
71.04984	0.8
73.02911	5.6
73.91454	0.4
76.46362	0.4
79.05479	6.3
81.03396	2.1
81.07045	6.8
83.08614	1.0
85.02897	6.9
91.03949	4.1
91.05472	3.7
93.07028	5.1
95.05004	1.1
95.08595	4.9
97.02882	5.5
97.06557	0.7
97.10180	0.7
99.04465	1.2
101.02400	2.3
103.03978	0.8
105.04524	0.8
105.07019	2.7
107.08584	2.9
109.02886	1.1
109.10165	1.6
115.03934	0.8
117.07055	0.6
119.08559	2.1
121.10168	2.0
123.11713	0.5
125.09628	0.8
127.03864	2.1
131.08607	1.4
133.10133	1.2
135.11667	0.7
145.05066	0.4
145.10181	1.1
147.11710	1.1
159.11797	0.6
165.72804	0.4
185.04253	1.4
190.87943	0.4
203.05238	1.0
243.08394	2.7
301.09018	1.1
315.02487	0.4
333.20447	1.6
335.26062	0.7
389.23514	0.6
519.29260	8.2
520.29346	0.5
549.98425	0.4
551.28107	3.4
591.31848	0.8
779.84271	0.5
829.50574	100.0
830.50922	11.3
847.20428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.8
67.05495	3.8
69.03410	2.5
69.07064	0.9
69.39463	2.3
73.02915	3.3
79.05479	5.6
81.03419	1.2
81.07040	3.2
83.04963	0.6
85.02895	4.2
91.03958	2.5
91.05462	3.7
93.07030	6.7
95.04972	1.1
95.08606	2.8
97.02913	3.4
97.06503	0.8
99.04467	0.6
100.77354	0.5
101.02374	1.1
105.07008	3.7
106.82721	0.5
107.08578	4.0
109.02881	0.6
109.10175	1.4
112.32777	0.5
117.06989	1.1
118.33527	0.5
119.08556	2.9
121.10146	2.0
122.43804	0.5
127.03923	1.2
129.07091	0.6
131.08537	1.2
133.10143	2.1
135.11687	1.2
143.08524	0.7
143.66467	0.5
145.10170	0.9
147.11690	1.2
157.10088	0.6
165.56973	0.5
185.04243	1.3
203.05367	0.6
243.08293	3.2
301.09015	1.5
313.09305	0.5
315.10583	0.9
317.20993	1.4
329.72025	0.5
397.18616	0.7
465.20987	1.6
525.23340	0.9
535.28711	12.7
536.29077	1.0
607.30927	1.3
829.50574	100.0
830.50848	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	831.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28489	0.9
69.43013	4.6
91.55303	0.9
93.62415	1.1
109.01807	1.0
173.02040	1.3
173.44295	1.0
175.03641	100.0
176.04161	1.6
201.05217	1.3
203.03142	1.5
204.03925	2.1
205.04787	2.8
225.47246	1.1
225.90030	0.9
378.13919	1.1
410.13235	1.4
438.12897	3.1
439.13528	8.6
440.14526	2.0
441.15433	1.3
453.15176	12.1
467.16882	3.9
483.16470	4.1
485.17563	2.0
508.78693	1.3
567.18329	1.2
605.19873	2.6
621.19495	1.5
636.21625	13.5
637.22418	4.0
801.26721	3.2
831.28174	89.7
832.28748	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	832.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96974	0.3
62.95825	0.3
65.03875	1.6
66.32908	0.3
67.05499	2.1
69.03426	2.2
70.06548	0.3
71.04984	20.3
71.05342	1.0
73.02861	0.3
81.03413	5.0
85.02901	3.6
85.06532	4.4
90.82979	0.3
93.03359	1.1
95.04968	2.7
97.02885	4.0
97.06477	0.3
98.23440	1.0
99.04406	0.7
103.07487	0.3
105.04462	0.3
108.02048	1.2
109.02866	3.8
111.04431	2.5
113.05991	3.9
115.03920	0.3
123.04340	0.5
123.11623	0.3
125.05964	2.3
127.03891	3.8
127.07542	11.5
131.07028	4.6
136.01523	0.3
137.05930	0.7
141.05458	2.3
141.25214	0.3
145.04935	1.1
145.08577	61.3
146.08890	1.1
151.03889	100.0
151.04945	6.1
152.04239	1.7
155.07005	2.1
163.03839	0.5
169.04942	9.4
173.08093	1.4
185.08113	0.4
187.06204	0.3
191.09117	4.7
191.10660	0.4
193.04988	0.4
208.00092	0.3
244.42197	0.3
248.02547	0.5
257.10367	0.8
266.03519	0.7
272.02701	0.3
275.11514	0.4
277.07114	1.4
290.03452	0.6
295.08072	5.0
299.11328	1.6
308.04636	0.3
313.09119	7.7
314.09872	0.3
317.12350	1.6
323.11578	0.6
335.13132	1.6
441.85324	0.3
467.03693	0.3
483.18826	0.3
485.17212	1.2
629.22211	0.8
646.15118	0.3
647.23218	0.4
832.22192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	6.0
65.03912	1.3
67.05492	16.9
69.03414	3.3
69.07055	5.0
71.44576	1.3
73.02911	3.2
73.45625	1.2
79.05479	20.6
81.07045	14.1
83.08614	2.6
85.02914	3.7
91.05439	10.1
93.07035	16.1
95.04990	4.0
95.08590	12.3
97.02871	2.7
97.06518	1.4
99.08108	1.9
105.04507	1.4
105.07018	8.2
106.06528	14.0
107.04942	3.0
107.08587	5.4
108.03186	1.3
109.10168	5.6
111.86616	1.2
117.07015	5.0
119.08572	6.9
121.10122	7.7
129.06990	5.0
131.08572	8.4
133.10071	2.1
134.06012	13.6
135.04442	2.5
135.11665	2.2
141.06996	4.5
143.08548	4.3
145.06497	4.5
145.10127	4.6
146.06134	1.5
147.08067	1.5
152.07076	7.6
155.08611	2.1
157.06512	5.7
157.10164	3.1
159.08075	5.4
160.07651	3.0
169.10155	1.6
169.35934	1.3
171.08064	4.7
171.11639	1.4
173.09601	1.3
183.08127	1.7
199.07419	1.7
204.50757	1.3
265.16003	1.7
269.17804	1.3
283.16861	2.1
307.22595	12.7
311.16565	2.4
328.19046	1.7
329.17398	3.0
346.20099	30.5
346.24008	2.3
355.07080	1.4
364.21304	4.8
393.78882	1.4
420.23709	7.1
438.24835	11.7
555.67725	1.6
670.42938	44.5
670.53772	2.7
671.43695	4.3
832.48248	100.0
833.48529	8.1
861.25873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	1.5
60.07909	0.5
60.08167	6.5
62.42592	0.3
71.07372	2.6
71.08638	1.0
72.08145	0.8
78.76964	0.3
80.17755	0.4
86.09706	10.4
104.10741	100.0
105.11093	0.9
109.40464	0.3
125.00025	0.4
125.36208	0.4
131.53732	0.3
131.92099	0.4
136.93126	1.1
137.48201	0.4
146.98253	0.4
154.94144	2.9
162.94618	0.7
170.98245	0.4
172.95221	3.2
180.95731	4.5
184.07362	0.4
190.96306	1.3
198.94946	0.8
198.96788	15.1
210.96881	1.0
216.97853	9.2
221.98415	0.9
228.97870	1.5
236.98468	0.4
239.99388	0.5
241.11214	1.4
246.99031	0.4
254.99446	1.3
257.61359	0.4
259.12238	1.6
313.20477	1.8
313.27438	1.3
319.19333	2.4
331.21506	0.7
337.20480	4.4
355.21478	2.5
449.19858	1.8
459.24808	0.5
461.19901	2.6
478.25848	0.9
520.26758	0.5
534.28827	0.6
773.46552	2.9
832.53778	10.5
833.53589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	1.6
69.03437	1.0
76.12719	1.0
81.07057	2.2
82.59570	0.9
85.02870	1.2
93.03522	1.0
95.08617	1.4
105.06967	1.0
107.08617	1.0
109.10175	1.6
119.08569	1.3
120.81224	0.9
121.47736	1.0
122.35815	1.0
123.11755	1.1
137.06012	2.6
149.06158	0.9
165.09087	9.5
171.11775	1.2
175.03709	1.0
175.07669	1.1
178.03526	1.0
190.77798	1.1
205.04694	59.4
218.05518	9.5
219.06232	1.1
231.59833	1.0
232.07021	7.6
248.06525	1.1
249.07292	1.5
250.78122	0.9
271.06042	2.6
310.79465	1.1
392.11954	1.5
410.13315	1.9
415.13577	5.7
423.14233	5.3
429.15042	8.8
473.35117	1.1
636.22015	2.7
637.22394	1.3
743.85052	1.1
801.30334	1.7
830.81494	1.1
833.29657	100.0
834.30280	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	833.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61163	1.2
69.61494	0.4
91.05763	0.3
133.56406	0.3
137.05962	0.4
151.35939	0.4
155.89523	0.4
175.03636	0.8
177.05273	0.6
189.05081	0.5
203.03125	1.0
205.04688	57.0
206.05006	1.2
217.04648	0.5
218.05464	9.4
219.06187	1.3
232.07036	8.2
249.07266	1.4
330.00607	0.4
361.10190	0.6
377.10153	0.6
378.10883	0.6
380.12271	0.4
392.12393	1.2
395.10919	1.3
410.13309	2.3
411.13855	0.6
415.13559	6.7
423.14056	5.3
427.13757	0.8
429.15137	9.7
430.15460	0.7
455.16302	0.5
469.55243	0.4
636.21765	2.9
803.29169	0.5
833.29651	100.0
834.29926	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	833.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04976	1.7
59.83828	1.1
61.02911	1.8
62.05433	1.0
65.03946	2.0
67.05498	41.1
69.03433	6.1
69.07059	51.8
71.08620	10.3
79.05479	11.1
79.36797	1.1
81.03400	3.9
81.07046	100.0
81.23511	1.2
82.07385	1.8
83.06099	1.8
83.08609	33.7
84.04479	2.9
85.02897	25.5
85.06526	20.5
85.10168	6.7
89.54232	1.2
91.03918	1.7
91.05415	2.9
93.07032	19.6
94.07449	1.1
95.04942	2.8
95.08594	99.3
96.08945	1.8
97.02872	7.9
97.06513	3.3
97.10156	31.0
99.08077	12.2
103.89472	0.9
105.06996	2.4
107.07912	1.9
107.08576	20.1
109.02856	3.5
109.06460	1.3
109.10143	72.0
110.10487	1.8
111.08043	1.8
111.11705	22.5
113.09621	2.8
115.11133	1.1
119.08553	1.2
121.10120	15.1
123.11691	34.2
125.09575	1.5
125.13225	8.8
127.03899	7.8
127.11138	1.2
129.06581	1.3
133.10144	1.5
135.11676	16.4
137.05949	3.2
137.09586	8.2
137.13223	15.0
139.11176	2.5
139.14804	2.7
143.14255	2.0
145.04926	8.0
149.13222	21.5
151.14816	10.3
153.12729	1.3
163.03876	2.1
163.06041	2.2
163.14839	7.8
165.09097	9.0
165.16382	8.2
171.13811	7.3
177.16342	3.9
179.17912	5.8
183.17456	1.5
187.49779	1.3
191.17915	3.6
193.19467	4.9
197.19022	2.3
199.20384	1.2
200.12794	1.2
205.19518	5.9
207.21024	1.8
211.20500	1.7
219.21062	4.4
223.20580	3.7
237.21924	1.4
241.10812	1.3
255.23158	5.2
263.27362	6.5
275.27304	15.1
281.28351	15.7
293.28345	96.5
294.28574	4.3
299.29401	37.5
300.29788	2.2
307.21426	1.1
311.16138	1.3
311.29416	35.8
312.29776	1.6
325.11356	2.7
325.87021	1.2
329.30460	47.5
330.30762	1.7
401.30655	1.7
419.31506	3.1
437.19077	2.4
437.32739	1.6
473.21008	1.6
473.34521	1.4
473.41791	1.2
491.35699	1.8
680.85095	1.2
833.27350	1.9
859.13257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23960	0.6
59.04988	2.0
59.44110	0.6
69.03423	17.0
69.29054	3.4
71.04990	0.9
72.47383	0.6
73.02898	2.1
79.05476	1.8
81.03404	7.8
81.07017	0.6
83.04951	0.7
85.01677	0.6
85.02891	12.2
85.68398	0.5
87.04456	6.2
91.05475	3.9
94.04160	1.0
95.01329	0.9
95.04944	2.9
97.02884	18.8
99.04431	2.0
103.03921	2.7
103.05440	4.0
105.07021	6.4
107.04945	3.8
109.02852	5.7
109.06517	0.8
111.04429	2.6
111.31762	0.6
115.03918	100.0
116.04284	0.9
117.06959	0.8
119.04929	3.2
121.06512	1.2
122.03666	0.8
127.03911	8.1
129.06963	2.2
131.04915	9.5
131.08557	1.2
133.04951	8.8
133.06453	6.2
135.08078	1.3
137.05963	25.6
138.06331	0.7
141.06937	1.0
143.04907	1.7
145.04944	2.4
145.06493	1.3
146.07274	0.8
147.04390	4.3
149.05956	4.3
150.06645	0.7
151.03940	1.9
151.07507	10.6
153.06976	1.0
155.04938	0.7
157.05125	0.7
157.06479	2.7
159.04379	1.4
160.05202	1.8
161.05959	11.3
161.09608	2.7
162.05495	0.7
162.06749	1.6
163.03882	1.1
163.07523	14.8
165.09094	3.9
167.07024	0.9
167.08554	0.5
169.06448	2.0
171.04425	1.7
171.08025	0.7
172.05159	0.7
173.05913	0.6
174.06712	1.1
175.06102	1.3
175.07524	11.8
177.05515	3.8
177.09096	2.0
179.05565	1.0
179.07014	4.6
181.04970	0.9
181.06413	0.8
181.08606	1.2
183.04355	0.8
183.10179	0.8
183.95419	0.6
185.05992	1.6
187.06071	0.7
187.07533	3.0
189.05379	0.7
189.09065	11.4
191.07033	6.1
193.08463	0.9
195.08075	0.8
197.05962	2.4
199.05949	1.4
199.07605	1.4
201.05421	0.7
201.09082	1.7
202.06326	0.9
203.07011	19.0
203.10616	0.7
205.08614	1.6
207.10167	10.4
213.05566	1.1
213.09164	1.4
215.06984	4.9
217.06972	1.5
217.08679	8.3
219.10126	3.0
223.05916	1.3
225.05339	0.8
227.07024	2.2
227.10634	1.8
229.08554	4.3
231.06500	1.1
231.10236	1.5
233.08089	2.5
235.09662	2.7
241.06735	1.1
245.08066	14.7
247.09615	1.1
249.11299	2.0
255.10081	1.4
257.08124	4.8
259.07935	4.9
263.09134	18.3
265.08453	1.1
267.10129	0.6
269.08093	2.6
273.11215	6.8
275.09171	3.4
275.12369	1.1
277.09094	8.8
285.11520	0.9
287.09088	1.9
287.12811	2.4
291.12195	6.9
293.10165	1.6
297.11307	2.0
305.10049	1.5
311.12201	0.8
313.14340	3.4
315.13062	0.8
323.11478	0.7
331.15366	11.3
332.68066	0.7
342.01480	0.6
343.15494	5.4
371.10986	0.9
385.11453	0.8
389.12167	2.7
401.12296	0.7
407.13422	8.6
409.16422	0.9
419.13358	1.9
423.16132	0.7
425.14227	2.8
469.18393	1.0
515.15887	0.9
533.16278	1.1
551.17828	1.2
689.55316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97930	42.3
65.65335	35.5
69.36283	39.9
277.30148	45.1
288.92319	46.0
313.27368	100.0
315.63718	50.6
335.25797	52.4
465.99527	44.9
769.81049	51.1
858.91669	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18964	0.4
63.18000	0.3
67.05484	1.2
69.03403	1.1
69.07046	0.6
71.20208	0.4
72.90783	0.4
79.05462	0.7
81.07027	0.7
85.02891	1.9
89.03885	0.9
93.07031	1.1
94.06536	2.6
95.04954	0.8
95.07317	1.2
96.08114	2.6
106.06537	1.0
107.07314	0.5
107.08517	0.5
108.08112	2.3
110.09659	3.5
116.04980	3.4
120.08101	2.8
122.06014	8.1
123.06750	0.4
124.07578	5.6
127.03890	0.6
129.62949	0.4
132.04449	0.8
136.07552	6.1
138.09117	4.2
140.07001	0.6
144.04419	7.2
146.05966	2.2
148.07564	1.7
150.05492	2.3
150.09135	1.0
152.07018	1.6
160.03915	0.7
161.82465	0.4
162.05470	4.0
164.07025	0.7
165.09024	0.4
166.08595	7.4
168.06563	1.1
168.08052	0.5
172.03906	53.3
173.04268	0.9
174.05499	1.3
182.08118	1.2
182.09625	0.5
185.10701	1.3
187.12300	0.6
190.04950	10.8
197.08351	0.5
197.10771	0.5
198.09157	2.7
199.08502	0.7
199.12299	1.0
201.10242	2.9
201.13867	0.5
204.06526	81.0
205.06821	1.9
208.09904	0.5
211.08525	0.5
212.10866	1.9
213.10088	2.8
213.13864	0.4
214.10922	1.1
215.11726	2.9
218.08305	0.6
223.12375	0.5
225.08273	0.6
225.10194	2.9
226.10806	0.7
227.08073	2.5
227.11719	1.1
228.08769	0.8
228.12509	1.5
229.09692	2.4
229.13304	1.1
230.14085	0.4
239.11758	1.4
240.10222	0.9
241.09665	6.4
241.13297	3.3
242.10445	11.9
243.11221	5.8
244.12015	1.5
249.10603	0.4
251.11739	0.9
255.11237	2.0
256.12009	9.8
257.10526	0.4
257.12808	9.2
258.11063	1.0
258.13574	1.5
265.57227	0.4
267.11292	1.2
269.09186	0.9
271.14417	0.8
272.12860	0.8
279.11160	1.4
283.10526	0.4
284.11465	5.4
285.12317	3.1
287.10245	1.8
289.12186	0.8
289.15399	3.3
297.12210	2.4
301.11798	0.9
302.12646	3.6
303.13495	0.5
305.29733	0.5
307.10751	0.7
315.13315	1.3
317.14908	100.0
318.15335	3.6
325.11780	12.2
329.11227	1.3
329.14929	1.2
339.13510	1.6
341.14920	0.8
343.12775	3.2
345.12027	0.5
351.13254	0.5
356.13867	0.7
357.14389	23.4
358.14877	1.1
460.18588	0.5
476.18094	2.1
487.17105	9.3
488.17834	0.9
501.18738	0.7
508.20621	1.3
519.19360	1.2
597.26807	1.3
609.22986	1.3
623.25079	0.9
641.25989	11.1
642.25873	0.9
655.26624	0.6
673.28424	1.8
759.31738	1.6
771.27863	0.5
803.31543	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	835.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.1
62.61486	0.7
67.05524	0.9
68.63636	0.8
69.03417	4.2
69.40587	4.3
71.05006	0.9
73.02914	1.1
79.05488	1.5
80.05028	1.0
81.03424	2.1
85.02893	6.1
87.04454	1.0
93.07037	3.5
94.06548	3.9
95.07346	2.0
95.08594	1.6
96.08113	5.0
97.02883	3.4
98.22735	1.4
99.04430	0.8
107.07303	1.4
108.08117	6.8
110.09679	8.9
118.06523	1.4
120.04472	1.2
120.08094	7.6
122.06016	11.5
122.09648	3.2
127.03912	1.3
130.90866	0.9
134.06055	1.3
136.07574	14.7
137.05992	1.0
137.09578	0.9
138.09143	12.7
148.07565	5.7
150.09073	5.6
152.07065	1.8
165.09088	2.2
166.08617	22.1
172.03934	1.9
175.03622	1.0
194.08162	2.3
198.09068	1.7
204.06580	3.7
209.10771	3.2
215.11804	2.1
223.08752	1.3
223.12286	1.1
225.10239	1.9
235.08630	3.8
236.09407	4.1
237.10190	17.5
238.10951	1.6
239.11775	1.8
240.12483	0.9
241.09750	1.0
242.80486	0.9
243.11282	10.4
249.10197	18.5
250.10939	3.5
251.08112	2.1
251.11823	6.0
253.09694	3.6
255.11232	2.0
261.10168	3.7
263.08105	2.0
263.11734	1.8
264.08932	12.5
265.09662	11.1
266.10355	1.8
267.11249	5.3
269.09219	1.4
269.12854	1.1
276.08780	1.3
277.09668	17.7
278.10373	5.5
279.11255	16.3
280.08463	1.3
280.11932	3.1
281.09131	4.2
281.12488	1.7
283.10754	1.9
285.12338	8.7
291.07556	2.4
291.11069	1.7
292.08368	3.3
293.09167	37.8
293.12766	10.1
294.09836	2.0
294.13583	1.2
295.10764	5.3
297.12213	2.1
305.09189	11.4
306.10052	1.9
307.10754	16.3
309.08694	4.0
309.12317	5.5
310.12805	1.3
311.10294	3.7
311.13785	1.5
313.11835	3.5
317.15005	9.1
319.10635	1.5
321.08875	1.1
321.12369	1.5
323.10208	11.2
324.10812	2.2
325.11804	5.7
327.13602	1.9
333.08643	9.5
335.10385	1.8
337.11868	5.2
338.12738	2.6
339.09692	1.7
339.13376	13.5
340.14499	2.0
342.11908	1.3
342.15784	1.7
344.17670	1.2
351.09741	37.5
352.10162	2.0
353.11328	2.8
353.15097	2.2
354.12167	2.7
355.13013	5.1
356.13675	2.0
357.14478	1.9
365.11230	4.2
366.12094	13.9
366.16403	1.9
367.12900	3.1
368.13797	2.5
369.10498	1.5
369.14648	2.0
370.11447	1.9
370.15430	1.3
371.12244	8.8
382.15546	1.3
383.12317	18.4
384.12961	2.3
384.17056	2.4
385.13916	8.0
396.13318	1.4
397.13959	7.2
398.14566	3.1
399.15460	2.6
410.14853	1.7
412.16422	1.5
415.15106	1.2
416.15869	1.8
418.17709	2.1
428.16040	4.3
438.14481	5.8
446.17020	13.8
447.17343	1.3
456.15570	7.1
458.16922	4.0
460.18918	1.1
476.17975	7.4
477.18765	1.3
478.19470	4.1
486.16379	3.0
488.18112	3.6
490.19632	2.9
504.17703	2.4
508.20023	1.1
518.19159	10.7
519.19806	4.8
520.20441	1.2
536.20117	15.2
537.20020	1.1
550.21820	12.8
551.22382	6.3
552.23444	1.3
609.23145	5.7
623.24432	3.2
640.24506	2.5
641.25916	27.5
642.26300	2.3
648.21741	1.4
662.23535	1.9
680.13031	1.7
680.24329	34.2
681.14404	1.2
681.25110	17.6
682.25397	2.2
712.27356	5.0
713.27759	100.0
714.28424	9.0
803.30682	3.2
835.30933	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	837.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00619	0.7
80.55173	0.6
84.96014	2.9
98.97566	55.0
110.97525	4.3
112.99131	1.5
115.03921	2.2
116.98601	23.9
124.99182	0.9
127.00668	3.0
128.98593	5.4
131.00146	1.5
134.99664	4.7
135.84151	0.7
140.98549	1.5
143.00150	4.6
144.98032	0.8
145.01700	3.0
146.99611	3.0
152.98482	5.0
158.99631	30.1
159.00951	1.5
161.01180	4.4
169.01740	0.7
170.99625	25.8
173.01183	1.5
177.00681	23.3
179.02336	0.9
187.02798	1.5
189.00679	39.0
191.02370	1.4
194.99605	7.6
195.01477	1.2
200.02397	0.8
201.00752	2.4
207.01750	12.4
213.00681	34.4
219.01724	21.2
219.03746	1.2
231.01712	12.6
237.02780	29.1
243.01622	0.9
249.02766	1.0
255.01711	11.9
255.03967	1.3
257.03339	1.6
261.02893	0.7
267.01715	1.4
273.02780	2.5
275.00394	1.0
297.02826	0.8
299.26596	0.7
305.05493	1.7
315.03839	10.0
333.04865	81.3
334.05283	2.0
351.05933	73.5
352.06262	2.3
374.07642	1.7
428.61026	0.7
429.07016	1.4
447.08057	100.0
448.08527	3.0
623.25726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09875	0.7
69.03416	0.7
69.19018	4.1
76.81740	0.6
77.37607	0.7
85.02916	0.8
88.92097	0.7
97.52679	0.7
105.06987	0.8
135.04428	0.7
136.54706	0.6
137.05997	3.0
151.03925	1.0
153.07103	0.7
155.58136	0.8
166.08604	0.9
177.05492	1.2
181.05112	0.8
191.03149	1.0
213.07408	3.1
220.61424	0.7
271.06097	2.8
285.09494	0.8
297.09375	1.5
315.38626	0.7
335.07440	1.9
357.11597	7.9
425.92563	0.8
427.13293	0.7
435.67194	0.7
466.06061	0.8
476.66501	1.0
503.11472	6.9
525.15881	1.4
609.17603	1.0
669.19775	4.4
836.36401	0.8
837.24097	100.0
838.24091	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	837.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63551	1.3
74.57348	0.6
93.06998	0.5
137.05933	2.4
159.04131	0.9
163.07433	0.8
165.09026	0.6
167.07083	1.0
174.02835	1.0
175.03645	8.4
175.23105	0.6
177.05502	0.7
182.19975	0.6
189.05199	92.3
190.05856	3.3
200.33119	0.7
202.05994	0.9
205.04846	1.0
207.06323	0.9
219.06323	1.5
231.06281	1.4
234.08656	1.6
246.08606	1.7
247.09535	0.8
248.48744	0.7
260.10300	1.0
262.08200	0.8
271.06143	0.9
313.11993	0.7
386.13214	1.7
428.14566	2.4
429.15195	2.1
439.17285	2.2
443.16638	6.7
444.17526	3.0
457.18283	23.1
458.18875	1.0
459.16223	1.0
471.19812	3.5
475.45581	0.7
625.22418	4.8
640.24615	3.7
837.32837	100.0
838.32867	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	837.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03363	0.7
78.02016	0.6
81.16293	0.7
98.01918	0.7
109.10125	0.7
115.96626	0.7
119.04893	1.0
131.04950	0.8
137.05942	3.0
143.83748	0.7
151.07512	1.4
159.04172	1.2
165.09010	0.7
167.06982	1.7
174.02829	0.7
175.03648	6.9
175.07542	0.8
179.70912	0.6
180.03799	0.7
184.43059	0.7
189.05193	92.1
190.05742	2.8
202.05995	1.0
219.06206	0.8
220.07033	1.5
230.07889	1.2
231.06447	1.2
234.08620	1.0
246.08522	1.2
271.05981	1.0
299.84012	0.7
386.13470	2.1
390.10782	0.7
428.14069	1.6
429.15265	2.4
439.17273	2.2
443.16882	4.2
444.17557	3.1
457.18268	24.6
458.18634	0.9
459.16385	1.1
471.19955	2.9
520.17505	0.7
625.22467	5.4
640.25049	4.2
837.32806	100.0
838.33124	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	837.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23120	2.5
69.03413	5.8
71.44048	3.9
96.08140	3.2
98.23054	3.1
108.08105	5.6
110.09679	4.3
120.08088	5.6
122.05995	8.3
136.07526	11.3
137.05968	3.8
138.09128	12.9
142.95863	2.9
148.07562	5.1
165.09129	5.6
166.08553	14.9
167.07027	6.7
172.03928	7.4
190.04984	5.1
204.06528	7.2
209.30473	3.3
219.08087	3.0
225.10248	5.7
227.11714	4.7
237.10251	6.5
239.11726	3.9
247.61211	3.2
251.11780	5.4
253.09755	7.0
255.11327	3.7
263.11752	4.2
265.09604	7.3
267.11282	8.1
269.12842	4.8
271.06009	7.0
271.10602	3.4
278.10532	3.4
279.11197	12.5
280.12009	3.4
283.10693	5.1
289.09793	3.7
291.11157	4.3
293.09216	3.4
297.12219	5.3
307.10727	3.7
311.13559	5.3
315.13440	7.2
325.11835	8.8
326.12509	3.6
327.13559	7.7
335.10101	9.5
339.13385	23.5
343.12762	3.6
351.05475	3.6
353.11301	4.7
355.12994	13.9
357.14438	9.4
363.83096	3.4
367.12863	26.5
382.29324	3.7
386.19171	3.2
398.14941	4.4
399.15729	12.0
416.16223	3.7
458.16980	7.3
488.17966	11.2
520.20514	7.5
611.24878	25.0
642.26178	6.0
643.27405	7.5
650.23035	8.6
682.25836	100.0
683.26691	15.9
714.27966	6.0
715.29364	3.4
773.29504	14.3
805.32690	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	837.354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	1.5
67.05487	2.0
69.03423	2.8
70.63506	1.5
79.05484	1.6
81.03407	2.6
81.07042	2.6
83.50033	1.4
85.02894	5.7
91.05473	1.7
93.07037	2.6
94.06568	2.4
95.07368	1.6
96.08136	3.2
97.02897	3.2
107.08561	1.4
108.08096	9.3
109.10175	1.7
109.96453	1.5
110.09682	5.9
116.04935	1.4
120.04489	1.3
120.08115	7.4
122.06011	5.5
122.09682	4.1
124.07594	2.5
133.10097	1.7
136.07587	10.8
137.05931	1.5
137.09586	1.5
138.05418	1.8
138.09126	12.0
144.04405	2.6
146.06067	3.8
148.07568	3.6
148.94113	1.2
150.09166	4.3
152.07057	3.4
160.03931	2.4
162.05508	2.0
163.03906	3.2
164.07103	1.6
165.09000	1.4
166.08611	18.0
166.21245	1.1
172.03914	21.9
176.07037	1.8
190.04974	5.6
197.10762	1.5
204.06543	39.2
209.10660	1.3
212.09442	2.2
221.50247	1.3
225.10103	6.7
227.11795	8.8
234.11491	1.6
237.10214	7.3
238.10977	2.5
239.07887	1.5
239.11691	3.8
241.13277	1.6
243.11371	2.5
249.10265	5.9
250.11104	2.2
251.07893	1.7
251.11873	5.4
251.19930	1.5
252.08914	1.4
252.12511	1.9
253.09743	3.2
255.11209	4.3
257.31976	1.5
261.10211	2.4
263.11859	3.6
265.09592	8.2
266.10321	2.0
267.11267	4.5
269.12885	5.3
271.10797	4.0
273.12335	1.9
277.09616	3.0
278.10428	4.3
279.07419	1.9
279.11279	8.1
281.09131	3.1
281.12589	1.8
282.09906	2.1
283.10754	5.3
284.11664	2.0
285.12277	4.8
287.13931	9.8
289.09558	4.8
291.11267	1.6
293.09125	4.2
293.12912	4.1
294.09827	2.6
295.10718	1.8
296.11856	1.4
297.12299	6.1
306.09402	1.8
307.10678	3.3
309.12332	4.2
311.10303	3.3
313.11853	2.6
315.13724	1.5
317.15161	1.8
323.10257	2.7
324.10773	2.4
325.11777	7.5
326.12549	3.0
327.13531	7.2
335.10086	7.2
337.11749	3.4
339.09973	1.4
339.13379	32.7
340.13910	2.4
341.11047	2.4
342.12442	1.7
343.13000	2.1
344.17844	1.4
353.11282	2.1
354.12195	2.1
355.12787	12.2
357.14407	17.0
358.15152	2.3
367.12833	21.4
382.11652	2.1
385.13919	2.8
386.14740	3.7
387.15356	3.6
398.15051	6.0
399.15662	14.2
404.15753	2.0
414.18338	2.4
416.16031	6.3
430.17517	2.7
440.15787	4.6
446.17142	2.3
458.16891	9.4
488.17957	3.8
490.19452	4.2
492.21002	3.0
520.20813	10.1
552.23950	6.7
611.24976	28.7
612.24701	2.6
643.27679	24.7
644.27777	1.9
657.22467	1.9
682.25604	6.9
714.28558	100.0
715.28754	7.4
773.29431	3.9
805.31989	1.9
837.27667	2.3
869.62671	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70568	0.8
68.32671	0.7
69.03405	2.6
74.26262	0.9
76.42600	0.9
77.91639	0.7
78.72550	0.8
79.05475	1.2
81.03412	1.2
85.02882	3.0
88.74509	0.7
91.05460	1.0
93.05764	0.8
93.07006	1.1
94.06544	1.9
95.07333	1.1
96.08108	2.7
97.02872	1.2
101.43666	0.8
108.08104	6.3
108.63205	0.8
110.09664	3.8
116.04967	1.1
120.04408	2.0
120.08080	4.7
122.06022	4.3
122.09634	2.8
123.04416	1.0
124.07587	2.0
134.06010	1.0
136.07553	8.1
137.05934	1.9
137.08432	0.9
137.18451	0.7
138.09145	6.2
142.80643	0.8
144.04434	2.4
146.05984	2.1
146.09683	0.8
147.49712	0.8
148.07520	3.0
150.09111	3.4
152.07048	1.7
160.03929	1.1
162.05464	1.9
164.07048	2.4
166.08609	15.5
172.03920	15.5
177.07851	1.0
180.10287	0.9
190.04974	4.2
196.09886	0.9
204.06523	30.2
209.10748	1.0
211.08684	1.6
211.12206	0.8
223.12015	1.1
224.09541	1.2
225.10193	5.4
226.10957	1.5
227.11719	5.2
236.09390	1.2
237.10182	4.4
239.11752	3.1
241.09641	1.4
248.09003	1.1
249.10239	3.7
251.08209	1.7
251.11719	4.1
252.08844	0.8
253.09674	4.7
254.10233	1.0
255.11261	1.5
261.10126	1.6
263.11700	2.4
264.08868	0.8
265.09641	7.3
265.12299	1.0
266.10431	1.7
267.11237	3.7
269.12762	3.7
271.06149	0.9
271.10663	4.4
277.09607	1.4
278.10455	3.0
279.07654	2.3
279.11191	8.6
280.11981	1.6
281.09192	2.4
281.12717	1.4
282.10031	0.9
283.10748	4.4
284.11374	2.4
285.12173	2.7
287.13922	8.5
289.09583	4.9
291.11160	1.5
293.09106	2.3
293.12845	3.1
294.09937	2.5
295.10696	2.3
296.11578	1.9
297.12155	3.7
299.10425	1.5
307.10669	2.4
309.12247	3.1
311.10117	3.9
311.13498	1.5
312.10986	1.7
313.11804	2.4
314.12503	1.6
316.14441	1.2
321.12048	0.9
323.10184	2.9
324.11105	1.0
325.11749	7.3
326.12527	2.4
327.13458	6.5
328.10757	0.9
328.14377	1.3
329.15210	1.1
330.15854	1.0
335.10205	4.8
337.11740	1.8
339.09668	1.5
339.13382	22.7
340.10352	1.6
340.14172	1.7
341.11087	1.2
342.12207	1.9
344.13684	1.1
349.50861	0.9
352.10654	1.2
353.11420	2.0
354.12146	3.1
355.12817	8.9
356.13943	1.3
357.14389	15.6
358.15204	1.9
359.67642	0.9
367.12848	14.4
370.15433	2.1
371.12097	1.1
371.16180	1.6
372.17023	1.0
384.13284	2.4
385.13837	1.2
386.14682	2.3
387.15308	2.8
388.16229	1.3
390.18100	1.3
398.15015	6.2
399.15610	12.6
400.16061	1.5
402.17657	0.8
404.16333	1.6
414.18036	1.5
416.15952	4.3
430.17633	1.1
440.15900	1.7
446.17062	1.6
458.17105	7.2
460.18323	1.8
461.19632	1.0
478.19492	2.1
479.19955	1.0
488.17841	3.3
490.19678	5.4
492.21323	1.6
502.19644	1.0
520.20795	7.9
552.23450	8.2
611.24908	29.7
612.24799	1.6
643.27612	22.3
644.27966	1.2
682.26093	7.6
714.28564	100.0
715.28711	7.0
744.10352	0.9
769.99774	1.1
773.30011	4.0
805.32092	2.1
837.27582	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	3.5
69.03421	7.6
69.86961	6.4
69.87320	6.0
79.05470	3.3
85.02895	3.7
93.07034	2.8
94.06567	7.7
95.07309	2.9
96.08134	8.0
97.02885	3.5
98.22751	5.1
108.08102	11.4
108.39465	3.0
110.06055	2.8
110.09677	12.5
113.39442	2.7
120.04407	2.8
120.08096	12.1
120.08891	3.0
122.06039	9.6
122.09617	4.7
124.07599	6.0
136.07539	19.7
138.09126	21.2
146.06052	6.2
148.07545	10.2
150.09135	7.5
152.07077	5.8
158.20546	3.6
163.03912	3.2
164.07042	5.6
166.08609	33.0
167.07108	2.5
172.03938	20.1
190.04999	16.4
204.06538	37.9
212.09222	3.5
218.28506	3.1
225.10257	11.5
227.11783	12.3
235.08643	3.0
237.10219	10.6
238.11011	3.2
239.11711	8.5
241.09668	8.9
243.11342	3.1
249.10213	5.9
251.07950	2.9
251.11771	7.2
253.09760	11.6
255.11180	5.9
261.10361	3.2
262.11014	2.8
263.11826	5.6
265.09698	10.3
267.11136	13.2
269.12857	19.4
271.10757	11.1
273.12436	3.5
277.09656	4.0
278.10480	3.5
279.11349	15.4
280.11847	3.7
281.09296	4.1
281.12796	6.2
283.10699	11.2
284.11520	4.6
285.12250	7.3
287.13895	12.2
289.09656	8.7
291.10913	3.1
293.09180	7.5
293.12427	4.3
294.09869	5.5
295.10751	4.7
297.12305	15.2
299.13644	5.7
300.11060	8.3
307.10519	3.5
309.12241	8.7
311.10138	8.2
311.13742	5.0
312.11093	4.3
313.11847	5.3
314.12653	4.7
315.13284	16.3
316.14374	4.2
323.10254	5.0
324.10950	3.3
325.11868	24.2
326.12640	4.8
327.13223	13.2
335.10168	10.7
337.11636	3.4
339.13373	30.2
342.12161	5.9
343.12793	3.7
344.13675	3.1
353.11343	5.5
355.12897	11.9
356.13715	5.4
357.14523	18.9
358.15421	5.1
367.12909	28.7
370.15622	5.3
382.11914	3.8
384.13052	2.9
390.18079	3.3
398.14890	20.7
399.15680	23.2
400.16513	7.3
404.15964	6.0
414.17883	4.7
416.16019	15.7
428.16232	3.6
432.19089	3.4
440.15970	4.3
446.16861	6.3
458.17123	27.9
478.19632	6.2
480.21213	3.6
487.16953	11.4
488.18005	12.2
490.19641	12.7
506.19205	4.4
520.20551	8.7
569.23578	3.7
593.23871	3.8
611.15125	5.8
611.24896	100.0
612.24811	7.3
642.26093	12.3
643.27576	22.2
650.22992	7.7
651.24524	3.7
682.25922	88.0
683.26563	20.0
714.28473	10.6
715.29034	10.7
773.30353	33.1
774.30347	4.1
805.32538	6.4
837.43365	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	838.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64026	1.3
63.97948	1.4
65.03924	3.4
67.05494	40.1
69.03406	2.1
69.07056	9.5
71.01357	1.7
71.04980	2.4
75.73653	1.3
79.05482	34.9
79.05943	2.0
81.03404	2.3
81.07050	39.4
83.04983	4.3
83.08601	5.6
85.02889	1.3
85.06519	2.1
87.04427	1.3
89.75924	1.4
91.05464	22.3
93.07032	31.3
95.04949	10.3
95.08602	25.7
95.71885	1.2
97.02888	3.9
97.06541	3.3
97.10165	4.1
99.00782	2.0
105.04524	2.4
105.07020	16.8
107.04935	4.3
107.08567	17.9
109.02854	9.9
109.06512	3.4
109.10140	8.4
111.08073	2.2
115.05434	1.8
117.07018	12.2
119.04944	3.0
119.08553	14.1
121.06504	4.0
121.10131	11.6
123.04428	2.8
123.08032	3.3
123.11679	3.1
125.09621	1.8
129.07011	6.5
131.04898	2.6
131.08568	14.0
133.06477	4.6
133.10059	9.2
135.04396	2.3
135.08054	2.4
135.11674	6.3
141.06932	2.5
143.08575	3.8
145.06471	7.7
145.10118	7.2
147.04399	5.1
147.08098	2.9
147.11667	6.2
149.05965	3.6
149.09579	3.4
149.13243	2.9
151.03925	3.3
153.09187	1.3
155.08513	2.8
157.06546	3.0
157.10130	5.9
159.04401	5.8
159.08070	3.7
159.11684	4.8
161.05956	8.7
161.13245	3.7
165.12723	3.0
167.08591	1.9
169.06395	2.3
169.10088	3.0
171.07919	1.4
171.11700	4.5
173.05957	12.2
173.09608	2.2
173.13225	3.8
175.07458	1.7
175.11308	1.8
177.05534	2.7
179.08539	3.0
181.10133	1.5
183.08150	1.6
183.11682	2.2
185.05890	1.8
186.08319	1.4
187.07524	3.1
187.14789	2.2
189.12766	2.1
191.14192	1.5
197.05945	2.3
197.13231	2.3
199.11128	2.1
207.11673	2.0
209.09680	2.6
215.14290	2.5
217.12192	1.7
225.12755	4.2
227.10593	3.1
233.15434	2.9
235.11206	2.2
235.13362	1.6
243.13780	4.4
243.21031	1.5
245.11688	10.3
253.12231	5.4
261.14865	2.5
261.22076	4.0
263.12769	12.8
271.13287	14.9
279.15863	5.5
283.15414	1.8
289.14227	7.2
289.17929	7.3
307.15216	2.4
307.18814	2.0
325.16428	4.7
335.25757	100.0
336.26062	4.2
363.17902	4.7
363.21927	1.8
381.18961	41.2
382.18982	1.8
398.53540	1.3
510.92905	1.4
543.37012	2.4
591.26044	2.6
595.39471	1.7
613.40479	4.3
623.40137	4.1
637.16309	1.7
641.40338	97.5
642.40063	6.7
664.73456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	4.7
67.05157	3.0
67.05499	51.7
69.03403	4.1
69.07066	13.6
71.01332	2.8
71.36205	2.1
79.05485	43.6
81.03416	2.9
81.07047	49.3
83.04965	8.9
83.08607	7.4
87.04460	2.9
91.05473	29.9
93.07030	39.1
95.04980	10.8
95.08598	30.3
97.02854	6.0
97.06467	2.8
97.10136	6.9
98.22681	3.8
99.00812	4.1
103.05479	2.9
105.04543	2.5
105.07024	21.9
107.04935	8.2
107.08585	21.7
109.02851	14.0
109.06513	8.6
109.10139	14.7
115.05437	2.6
117.07020	16.1
119.04943	3.2
119.08558	16.0
119.18336	2.0
119.89452	1.8
121.06479	6.9
121.10110	12.1
123.04375	2.9
123.08069	2.6
123.11695	2.7
123.20345	2.1
125.09608	4.3
129.06981	9.3
131.04906	3.8
131.08591	15.6
133.06465	9.3
133.10097	9.1
135.04373	3.4
135.08038	3.3
135.11679	7.7
137.09552	9.3
141.06984	3.2
143.08545	5.8
145.06470	10.8
145.10138	7.6
147.04382	6.3
147.08011	3.9
147.11649	8.4
149.05978	3.9
149.09576	3.8
149.13243	4.0
151.03865	4.0
153.06966	2.4
155.08513	3.5
157.06448	4.4
157.10126	5.0
159.04440	10.2
159.08035	7.3
159.11693	4.8
161.05934	13.9
161.09601	5.6
163.07474	2.9
163.14787	2.4
164.94321	1.9
165.06940	2.8
165.12773	5.4
167.08530	3.9
169.10117	3.5
171.11670	5.5
173.05963	17.1
173.09656	2.5
173.13246	5.8
175.07489	2.8
175.11095	3.3
179.08592	2.1
181.10170	3.2
183.07944	2.1
183.11647	3.9
187.07460	3.6
188.01074	2.0
189.71397	2.2
193.12296	3.1
197.06033	3.1
197.13260	6.5
199.11140	4.6
207.11746	5.3
217.12209	2.9
225.12645	5.2
227.10622	4.0
233.15265	4.1
243.13718	3.0
245.11687	14.0
246.20490	1.8
253.12273	6.6
261.14825	4.1
261.22040	6.5
263.12729	17.6
266.08276	2.1
271.13300	23.9
271.16675	3.8
279.15839	8.3
281.13870	4.4
289.14310	13.4
289.17938	22.1
307.15552	4.6
307.18884	2.7
310.82452	2.4
312.72101	2.1
325.16428	6.1
335.25757	83.8
336.26086	2.8
345.16690	2.4
363.17621	3.0
363.21619	3.3
381.18890	65.5
381.22739	6.2
505.34723	2.8
521.34711	2.2
613.40149	3.8
623.40271	6.2
641.40320	100.0
642.41101	5.9
670.49139	2.1
720.23206	1.9
838.08722	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	838.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	8.3
67.05504	76.3
69.03414	6.9
69.07054	21.9
69.79649	16.8
70.04600	5.7
70.83882	5.6
71.04984	9.0
79.05481	73.6
81.03403	15.4
81.07045	82.6
83.04984	11.8
83.08614	14.4
91.05473	50.6
93.07032	69.2
95.04948	22.2
95.08586	59.1
97.06540	31.4
97.10159	10.8
105.07033	35.6
107.04937	23.3
107.08591	35.8
109.06505	27.0
109.10144	23.6
117.07004	18.7
119.08571	30.0
121.06486	30.4
121.10136	29.5
122.45837	6.4
123.08066	22.0
125.05974	18.7
125.09579	7.0
129.06992	10.6
131.08563	23.0
133.10092	17.7
135.08060	15.6
135.11691	18.5
139.11093	6.7
145.10078	10.8
147.11722	14.8
149.13081	6.9
151.07564	11.2
153.25395	7.5
159.08080	24.2
159.11667	6.4
163.11197	9.1
172.40327	6.1
172.80457	6.7
173.13303	8.9
189.11183	9.7
193.12276	8.3
199.11119	8.2
205.15753	7.2
227.12785	6.6
233.15294	41.2
243.17345	7.6
251.16214	8.4
261.22018	8.8
267.16089	8.3
271.17032	15.8
285.41397	7.6
289.17953	65.6
307.18961	22.5
335.22131	10.3
335.25757	100.0
363.21533	29.8
381.22681	34.5
623.42480	26.8
641.43829	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	839.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45571	0.7
61.02898	0.9
63.55318	0.6
65.03934	0.7
69.03425	2.1
69.34042	3.5
70.88632	0.6
71.58417	0.6
73.03710	0.7
79.05463	0.9
81.03394	1.0
82.06561	0.9
83.37132	0.7
84.92712	0.6
85.02912	2.7
91.05457	1.0
93.07040	1.7
94.06546	5.5
95.07346	1.3
96.08115	4.1
97.02903	1.2
98.22729	1.8
104.82957	0.7
106.06560	2.1
108.04433	1.2
108.08109	8.3
109.02933	0.9
110.06021	0.8
110.09665	6.2
112.04574	0.8
116.04971	1.3
118.06574	1.1
120.04453	2.7
120.08106	6.9
122.06014	4.8
122.09637	0.9
123.04407	0.7
124.07578	6.1
127.03907	1.4
134.06010	2.7
136.07567	8.8
138.09126	10.5
144.04411	4.7
146.05986	5.7
148.07564	2.9
150.09172	1.3
152.07083	1.9
160.03926	2.6
160.07553	1.1
162.05516	2.5
164.07109	1.9
166.08620	14.5
167.07071	1.0
172.03915	26.9
174.05540	2.5
176.07050	4.4
190.04967	17.4
196.10054	0.7
197.10780	1.2
204.06534	40.5
205.06804	1.6
209.10818	1.0
211.08678	1.9
213.10202	3.4
214.10889	1.0
215.11766	2.3
223.08636	0.9
225.10233	2.1
226.08514	1.6
227.11766	1.4
229.09799	0.8
235.08325	0.8
236.09467	2.2
237.10249	2.5
238.10982	1.7
239.08093	0.8
239.11800	1.7
241.09637	2.9
243.11244	11.0
249.10246	1.8
251.11775	1.6
252.08861	0.8
253.09827	1.1
255.11276	2.8
257.12866	1.9
259.10754	1.0
263.08163	1.2
264.08960	2.3
265.09665	2.1
267.11322	1.6
269.09201	2.7
271.10654	1.2
273.12341	4.5
277.09790	1.4
278.10507	1.0
279.11374	3.9
283.10663	3.6
284.11484	1.1
285.12286	15.3
287.10156	6.8
293.09283	1.1
294.09805	0.9
295.10648	0.8
297.12271	8.1
299.10605	1.4
299.13989	3.2
301.11966	2.0
302.12930	1.5
303.13379	17.5
304.14108	1.1
307.10770	2.8
309.12381	1.9
311.10257	1.3
313.12000	1.1
316.14276	1.2
323.10126	5.7
325.11816	20.5
326.12564	1.3
327.13416	2.6
328.14514	1.8
329.11502	1.1
330.12366	2.0
331.13232	0.8
332.13773	1.2
339.13699	0.8
343.13104	3.2
344.13828	2.4
345.14859	1.1
346.15439	2.3
347.16226	1.1
355.13235	1.0
356.14001	1.1
357.14438	20.3
358.11633	1.0
358.15521	5.5
359.16428	1.1
368.13763	0.9
370.11761	1.5
370.15875	0.9
371.12616	1.7
371.16702	1.1
372.13312	3.8
373.14203	1.4
374.14862	2.6
385.14420	3.1
386.14938	7.4
387.16071	5.0
388.16873	1.3
392.16199	1.5
394.17566	1.3
400.16702	1.0
401.13730	0.9
402.14325	2.5
402.18726	1.1
403.15326	1.4
404.16092	5.5
406.17520	4.0
412.16583	1.3
413.14673	0.9
414.14539	10.2
415.15198	18.9
416.15829	2.0
418.17575	2.1
420.15585	3.1
428.16138	2.8
430.17636	2.9
432.15494	14.7
438.15518	1.3
444.15512	2.9
446.16830	3.6
450.14697	0.8
456.15564	7.3
462.16452	8.2
469.16309	1.1
474.16522	22.2
475.16397	0.9
476.18704	1.5
487.17044	8.9
488.18240	0.9
494.18854	3.6
506.19122	8.7
519.19684	1.2
557.23340	1.0
583.25458	1.2
585.23413	4.1
599.24493	2.0
609.22931	4.0
627.24359	100.0
628.24670	4.8
659.27026	24.9
660.27448	0.9
761.30341	0.9
771.28778	1.5
789.29633	17.4
790.29889	1.3
821.31519	2.1
826.41492	0.9
839.27106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.5
66.73186	1.4
67.05487	4.4
69.03413	2.2
70.81229	1.6
75.96913	1.6
79.05511	2.0
81.03439	2.1
91.05460	2.9
93.07040	2.5
94.06557	5.0
95.04919	2.4
96.08147	2.6
108.08092	10.6
109.02850	4.3
110.09635	1.8
116.05011	2.3
120.04427	1.8
120.08097	4.5
122.06030	12.7
124.07562	4.4
127.03896	2.7
134.06024	2.1
136.07559	87.9
137.05981	2.7
138.09138	4.5
140.07086	1.8
144.04442	3.0
146.05989	14.9
147.04541	1.7
148.03900	2.0
148.07558	3.4
151.03947	2.2
162.05498	3.9
163.03915	2.2
164.07045	100.0
166.08649	5.2
167.07062	2.9
172.03896	13.1
174.05478	5.7
176.04846	1.7
177.05510	2.2
182.08128	4.3
190.04907	12.4
192.06580	2.4
198.09131	8.3
204.06535	39.6
204.08315	3.0
205.06915	2.0
205.87668	1.9
211.12231	2.0
212.10603	2.0
215.11771	5.4
215.23692	1.6
222.02800	2.0
224.09071	2.9
226.08647	2.7
236.09393	1.7
241.13431	1.9
243.11255	22.1
251.11844	2.5
255.11075	1.6
257.12717	2.4
279.11246	6.3
285.12283	33.0
290.10193	2.7
297.12241	11.5
301.11508	2.7
303.13361	4.5
307.10825	7.5
308.11298	5.0
309.12326	1.8
325.11731	19.8
326.12326	3.9
343.12994	4.4
357.14359	24.3
393.14307	3.2
411.15445	4.7
429.16626	5.2
650.23352	18.3
682.25958	12.6
735.27502	2.5
753.27222	4.3
771.28394	13.9
803.29980	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	840.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89525	5.5
65.27968	5.6
66.49416	5.8
67.05488	65.9
69.03429	8.8
69.07059	31.2
71.04975	10.9
79.05483	71.0
81.03410	22.3
81.07049	100.0
83.04968	17.0
83.08616	16.2
91.05474	50.6
93.07037	61.1
95.04967	16.6
95.08594	45.2
97.02884	5.7
97.06517	45.4
99.08088	5.6
105.07003	46.1
107.08555	38.5
109.06498	22.4
109.10139	23.3
115.07559	11.8
117.07031	10.4
119.08549	24.9
121.06412	6.2
121.10136	26.5
123.08129	5.4
124.41403	5.2
128.27606	5.2
129.07030	9.0
131.08545	23.4
133.10139	21.9
135.07988	6.6
135.11681	9.5
137.09581	10.3
137.75450	5.2
143.08546	9.6
145.10101	17.1
147.08023	6.8
149.09624	7.6
149.13225	14.0
157.10036	9.5
159.11670	11.0
161.09613	7.5
162.11819	5.7
173.13354	6.0
253.09380	5.6
261.22141	12.3
267.15744	13.4
269.17551	7.3
273.18381	22.4
291.19586	16.1
335.25793	62.3
347.22275	7.6
381.09601	6.5
529.38751	16.8
625.44965	15.0
820.33765	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	840.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	1.1
64.14482	0.5
69.03443	1.1
69.07053	1.3
70.57317	0.5
71.04983	0.9
71.08623	1.2
73.02903	1.5
73.06547	4.9
76.38632	0.5
79.05476	1.1
86.09667	0.6
87.04459	33.0
89.06020	100.0
91.05470	7.3
91.07549	0.7
93.07004	3.9
95.04970	3.3
103.05454	1.8
105.04457	0.8
105.07018	1.9
107.04977	1.4
107.07059	2.2
107.08580	3.2
109.06522	0.8
113.05984	1.1
113.13280	1.2
115.05457	1.0
117.07002	2.2
117.09148	2.7
118.07789	5.6
119.04915	3.6
119.08567	4.8
121.05602	1.0
121.06487	19.3
121.10103	1.3
123.08050	1.6
129.07056	0.6
130.08635	1.5
131.06073	0.4
131.07021	12.9
133.08589	69.1
134.08904	0.9
135.08047	4.1
135.10138	0.6
135.11674	1.7
147.08028	11.4
149.09604	6.0
149.13258	0.9
150.06720	4.1
159.10240	0.5
159.11684	1.4
163.07552	0.6
163.11111	2.6
165.09105	6.0
167.10660	1.6
173.09665	1.0
175.09662	9.2
175.11099	1.0
177.11206	27.0
177.12701	2.1
184.07283	1.2
191.10661	4.3
193.12245	2.2
197.66205	0.5
209.11713	3.3
211.13258	3.8
219.12340	3.0
221.13806	5.1
231.17448	0.6
233.18971	19.8
234.19333	0.7
235.13217	3.1
239.14847	0.8
247.20610	0.8
255.15831	3.4
259.20532	4.4
265.16522	0.8
267.17944	0.6
275.20010	0.9
275.23724	1.4
277.21591	33.3
278.21979	1.1
279.15878	1.9
283.17407	1.8
299.18536	2.0
301.49615	0.5
303.23004	2.6
309.19232	1.1
319.22678	1.2
321.24203	7.5
327.20126	1.1
343.20953	0.6
353.21674	1.3
371.22931	0.6
391.28674	0.6
397.24249	1.1
431.62509	0.7
441.26801	0.7
521.26294	0.6
711.41016	0.7
823.54120	4.1
840.56946	9.1
841.56427	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	841.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32732	0.3
59.84865	0.2
61.02911	0.4
68.99778	0.4
69.03418	2.1
70.06589	0.4
71.04982	5.6
71.99300	0.2
73.02894	0.2
77.23486	0.2
81.03405	2.1
83.04980	0.4
85.02891	8.3
85.06531	2.6
95.04934	0.3
97.02879	2.3
99.04440	0.4
101.44070	0.2
102.05659	0.2
105.03382	0.3
109.02862	1.6
109.80533	0.2
111.00787	0.5
111.04474	0.3
117.06973	0.2
121.02853	3.1
127.03889	2.6
129.05464	1.5
133.02827	0.4
137.02299	0.3
137.05910	0.4
145.04930	1.3
145.06519	0.2
145.08560	0.5
147.04431	0.4
147.06517	0.4
153.01787	2.0
163.03912	0.3
165.01802	1.0
183.02815	0.5
213.05479	0.9
229.10684	3.6
231.06349	0.3
241.04938	0.8
247.11812	1.2
258.05127	0.6
259.05984	0.3
287.05444	100.0
288.05792	3.0
329.06439	0.6
377.65112	0.3
449.10587	0.4
533.16473	6.3
534.16974	0.3
609.58740	0.2
841.30890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.5
69.03420	5.5
69.77356	1.3
69.77697	3.3
71.04999	1.0
73.02917	1.1
79.05486	2.9
81.03387	3.0
82.06561	2.2
85.02882	8.9
87.04455	1.2
91.05475	2.7
93.05751	1.8
93.07024	5.0
94.06547	10.4
95.04960	2.1
95.07355	2.9
96.08129	13.4
97.02886	4.6
99.04435	1.0
102.74332	0.9
106.05928	1.5
106.06513	7.4
106.47089	1.0
107.07333	2.7
108.04472	1.4
108.08105	18.9
109.02794	1.1
110.06055	2.3
110.09673	19.5
118.06517	2.6
120.04447	4.7
120.08082	19.0
121.06483	2.2
122.06013	17.7
122.09660	4.7
124.07577	11.9
134.05989	4.1
134.09653	2.9
136.07552	27.8
138.05499	2.4
138.09114	31.1
138.10147	2.0
140.07060	1.2
144.04417	3.9
146.05997	23.9
146.09595	2.0
148.07535	17.3
148.08621	1.9
150.09123	16.8
152.07039	22.5
158.05962	2.7
160.07530	3.1
162.05478	3.2
164.07037	13.5
164.84920	1.0
166.08612	81.2
167.08945	2.3
172.03923	25.2
172.07573	1.7
174.05507	3.3
174.09081	2.4
176.07034	2.4
178.08734	1.2
182.08122	4.8
190.04958	20.4
197.10739	2.5
198.11513	2.9
199.12178	2.5
204.06532	39.3
208.09781	1.1
209.10699	1.9
210.11491	3.4
211.12215	9.2
212.09521	1.4
212.13063	3.3
213.13873	2.1
218.08147	4.1
221.10776	1.3
222.11487	1.4
223.12286	6.4
224.12921	1.7
225.10182	6.0
225.13788	3.3
226.10951	4.3
227.11803	7.1
235.08611	2.7
235.12288	3.0
235.60654	1.1
236.09282	2.6
237.10223	9.3
237.13814	4.1
238.10960	7.7
239.11745	15.1
240.12524	1.8
241.13359	2.3
245.12827	2.1
246.07600	3.0
248.09384	3.9
249.10159	14.0
250.10959	11.3
251.08037	1.8
251.08818	1.6
251.11761	23.9
252.12627	5.5
253.09679	2.0
253.13222	8.3
255.11261	4.6
256.11990	2.3
257.12894	4.3
259.14453	2.2
262.10840	2.0
263.11752	35.0
264.08801	3.8
264.12479	7.1
265.09686	7.8
265.13333	17.6
266.10461	4.1
266.14035	2.2
267.11292	12.8
267.14407	1.6
269.12668	6.2
270.13480	1.7
271.10977	1.8
271.14374	7.5
273.12256	4.3
275.11685	2.2
276.08633	1.4
277.09760	5.2
277.12708	1.0
278.10458	6.9
279.11230	30.3
280.11823	5.0
281.09604	1.1
281.12787	18.3
282.09866	1.5
282.13379	1.7
283.10764	4.7
283.14413	3.1
284.11523	4.2
285.12308	16.4
285.15479	1.8
287.13837	3.8
291.11218	37.6
292.11902	6.8
293.09442	1.7
293.12784	28.2
294.13220	2.2
295.10751	7.4
295.14154	2.2
296.11560	4.2
297.12289	50.3
298.12958	4.9
299.13852	29.1
303.13272	1.5
305.14987	2.4
307.10718	4.9
307.13986	1.4
309.12271	26.3
310.12805	3.5
311.10223	5.3
311.13858	21.3
313.15390	1.7
314.12680	1.3
315.13367	20.1
316.14053	1.9
319.10751	23.3
321.12186	6.7
323.10382	8.8
323.15829	3.6
324.10843	1.6
325.11777	37.3
325.15573	2.6
326.12375	1.7
327.13324	4.7
337.11771	100.0
338.12201	4.5
339.13364	7.2
341.11276	2.6
343.12863	4.0
351.13306	2.1
355.12833	4.9
356.13553	1.4
357.14328	17.5
369.14429	9.0
370.15460	1.5
371.15891	4.3
372.17078	1.8
373.13870	2.7
376.20285	1.5
390.18103	2.3
398.15005	1.8
399.15631	2.3
401.13336	11.9
404.19983	2.5
416.15775	2.5
418.21567	1.4
420.19019	1.8
422.20987	1.7
430.17410	1.3
432.19073	3.9
444.19070	4.7
446.20538	4.9
448.18027	2.2
449.19080	2.6
450.20026	4.2
458.17062	4.5
460.51373	1.2
462.20035	7.3
464.21945	38.1
465.22040	2.0
472.18753	5.5
474.19980	2.9
476.17987	4.9
477.18472	2.7
482.18915	3.1
487.17203	7.2
490.19647	59.7
491.19574	2.4
492.21021	2.5
494.19357	2.0
508.20901	5.6
514.22241	1.6
522.22260	29.1
526.22095	1.4
587.24408	2.6
603.28064	2.0
611.24927	9.9
612.25134	1.4
626.26984	33.1
627.27393	1.8
629.25989	17.6
634.23718	3.1
643.27521	2.6
647.26959	48.3
648.26959	4.2
652.24866	74.7
653.25513	7.5
654.26483	1.3
670.25323	2.0
679.19012	1.4
679.29645	12.3
680.28943	1.9
684.27496	26.2
685.27539	3.5
749.28802	1.2
773.29944	2.3
791.30475	4.2
809.32300	19.1
810.32007	1.3
841.34375	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	842.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	1.6
65.03928	4.4
67.05492	100.0
69.03412	4.8
69.06705	2.0
69.07058	26.8
69.19562	7.9
71.04977	5.2
74.86726	1.3
79.05481	61.1
81.03407	3.2
81.07043	84.8
83.04963	4.5
83.08610	13.4
85.02885	2.9
85.06532	2.9
86.25168	1.2
91.05464	37.0
93.07032	65.2
94.97027	1.3
95.04939	10.8
95.08589	53.8
97.02867	2.6
97.06518	5.9
97.10151	6.8
105.04491	2.7
105.07014	30.4
107.04938	4.4
107.08576	39.6
109.06512	5.2
109.10138	37.3
111.08064	4.5
117.07012	11.2
119.08553	27.7
121.06480	2.0
121.10133	26.8
123.08051	4.0
123.11691	6.4
125.09602	3.9
127.03931	1.5
129.06998	3.3
131.08528	18.6
133.10095	17.4
135.08063	1.8
135.11650	16.8
137.09554	3.2
139.11168	2.0
143.08580	3.0
145.10117	13.3
147.11671	13.0
149.09605	4.0
149.13214	8.2
151.11137	1.6
157.10136	3.8
159.11632	11.2
161.13211	4.5
163.11147	2.0
163.14822	2.0
169.10095	1.7
171.11607	3.7
172.99088	1.5
173.11711	4.8
173.13283	6.0
175.14839	2.6
177.12714	2.3
183.11578	1.7
185.13214	2.1
187.14780	3.2
189.11110	1.8
195.13721	1.6
201.16324	1.8
215.17871	2.1
219.17337	2.0
227.12730	4.9
229.14319	20.6
243.21048	3.1
247.20499	1.3
257.19095	4.3
261.22098	8.7
269.17377	13.2
275.20013	20.3
293.21149	2.1
309.20401	6.5
312.01489	1.5
317.24863	3.2
333.24280	1.8
335.25742	79.9
336.26120	2.5
338.36874	1.5
349.23676	17.6
358.16116	1.3
367.24850	11.4
489.35721	13.3
529.38904	28.3
530.38965	2.4
569.41821	22.5
570.42291	2.1
609.45074	25.2
610.45105	1.7
627.46069	13.0
842.45526	1.9
843.47113	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	843.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	1.3
61.02922	7.8
61.14780	1.0
67.05495	12.5
68.05862	0.9
69.03421	6.0
69.07061	2.9
73.02910	6.3
79.05477	11.2
81.03428	2.0
81.07043	14.9
83.04957	1.1
83.08629	2.4
85.02892	5.8
91.03931	4.4
91.05464	7.0
93.07024	11.3
95.04984	3.4
95.08589	10.8
97.02879	7.0
97.06522	1.1
98.23537	1.3
99.04428	1.4
101.02366	1.9
105.07027	4.5
107.04993	1.2
107.08582	5.2
109.02901	1.8
109.10173	4.5
114.96358	1.1
117.06998	1.5
119.08568	3.2
121.10141	4.1
125.09731	1.1
127.03953	3.1
131.08583	3.8
133.10139	3.4
135.11697	2.6
145.10121	1.9
147.11702	2.7
149.09782	0.9
149.13245	1.1
159.11713	2.0
161.13332	1.4
173.05989	0.9
243.08498	3.1
266.19809	1.1
269.17487	1.1
270.17801	1.0
275.20157	1.8
335.25705	6.2
336.26260	1.5
347.14590	11.5
347.18338	1.6
349.23779	1.4
374.85593	1.1
382.09262	1.0
403.17130	2.1
460.65204	0.9
519.29340	9.9
529.39288	1.2
530.39166	3.1
565.22882	4.2
569.42438	1.8
570.41888	1.8
628.46509	1.2
732.21722	1.0
746.41083	1.4
843.45422	100.0
844.46124	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	843.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	6.1
61.85003	1.4
67.05494	7.0
69.03425	2.5
69.07072	2.3
69.20522	7.3
71.04973	1.3
73.02922	3.1
73.55939	1.4
79.05492	3.5
81.03412	2.7
81.07059	5.2
85.02912	5.6
91.03928	2.8
91.05483	3.5
93.07063	4.9
94.50313	1.4
95.04984	2.0
95.08614	4.3
97.02887	5.0
98.22681	2.7
101.02346	1.6
101.75309	1.4
107.08585	2.4
109.10112	1.4
119.08596	1.5
127.03963	1.4
131.08603	2.3
193.93428	1.3
203.05302	1.3
233.66684	1.5
243.08496	2.9
271.28973	1.4
347.18359	3.3
352.71893	1.4
417.16339	1.5
479.22449	1.6
519.29504	5.5
565.26044	2.8
757.44897	2.4
774.27252	1.4
843.48383	100.0
844.48865	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	844.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	0.5
69.03419	3.9
69.61795	1.3
70.06573	0.7
71.04978	0.5
71.23613	0.3
73.02896	0.4
75.04465	4.3
81.03409	4.1
84.02007	0.3
84.04475	0.4
84.08092	0.3
85.02892	25.6
85.75731	0.3
86.03259	0.3
91.05443	0.8
94.04140	0.3
97.02881	6.0
98.22737	0.5
99.04465	1.3
101.46881	0.3
103.03928	5.2
103.05440	0.4
107.04939	0.8
108.04462	0.6
109.02857	4.5
109.06550	0.4
111.04379	0.3
115.03934	0.4
115.05441	2.4
117.05475	100.0
118.05837	1.2
122.03633	1.3
123.04459	0.4
127.03894	7.6
129.06996	1.5
131.04927	0.9
137.05954	26.3
138.06296	0.5
139.03932	0.4
143.04904	3.3
144.05563	0.5
145.04932	17.2
151.03870	0.8
151.07576	0.9
153.05440	0.6
157.05148	0.5
157.06468	1.7
160.05174	5.7
161.05992	0.8
163.03842	0.6
163.06003	19.4
163.07443	1.2
165.05501	0.3
167.07060	0.7
172.05197	0.8
173.05847	0.3
174.06787	0.7
175.07516	26.5
176.07864	0.5
177.05423	0.7
177.09030	0.3
179.05469	0.5
179.06972	0.4
181.08682	0.3
187.06093	0.4
187.07515	10.6
188.08154	0.3
189.09116	2.1
191.07007	0.3
191.08597	0.4
193.08597	0.9
199.05933	0.4
199.07565	0.6
201.09003	0.3
203.08649	0.6
205.06932	0.4
205.08582	4.1
207.06477	0.4
211.07596	0.6
211.09474	0.5
217.06862	0.6
217.08595	1.0
227.07097	0.4
229.07051	1.0
231.08087	0.5
235.09636	6.4
247.07739	0.6
248.08319	0.9
251.10707	0.4
263.07663	0.4
263.10684	1.0
270.08679	0.3
271.08154	1.7
271.09903	0.8
276.07700	0.7
279.10101	0.9
283.09686	0.3
289.09152	5.2
291.10043	2.0
307.10168	5.4
308.10623	0.4
311.12894	0.8
323.09937	0.3
323.12811	2.9
325.14331	0.5
341.13785	5.5
346.22842	0.3
357.40781	0.3
402.13684	0.3
551.20905	0.3
724.17450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65714	0.5
69.03416	3.6
69.41389	0.6
71.04987	15.2
77.03924	1.3
77.70821	0.6
79.05476	2.3
81.03410	8.7
83.04958	2.9
85.02891	17.6
87.69234	0.6
95.04958	4.5
97.02876	6.6
99.04452	1.5
105.03381	61.1
105.04516	2.3
106.03722	1.1
107.04957	0.6
108.90607	0.6
109.02866	6.8
111.00797	0.8
111.04430	1.7
118.38543	0.7
121.02881	4.1
123.04416	5.7
127.03909	8.2
129.05469	2.7
137.02296	0.8
137.05966	0.7
145.04919	3.1
147.06575	1.0
153.01793	3.3
165.01753	1.2
165.05409	0.7
183.02873	0.9
213.05450	1.4
231.06538	1.7
241.04823	0.9
249.07550	24.8
258.05289	0.9
264.59442	0.6
264.62265	0.6
267.08591	10.7
286.04568	0.7
287.05453	100.0
288.05688	3.2
301.07065	0.8
329.06610	1.5
397.09192	1.5
415.09937	0.8
433.11349	5.3
506.59924	0.7
690.22253	0.9
749.29492	0.8
813.27454	0.7
845.31177	0.8
849.40448	0.7
868.06085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27347	0.8
61.02921	5.6
61.19024	0.7
62.12261	0.8
67.05501	4.8
69.03410	3.8
69.07062	2.7
69.20026	5.2
71.04977	0.9
73.02910	4.0
79.05475	4.2
81.03429	1.7
81.07035	5.9
83.08621	0.7
85.02895	5.0
91.03976	2.3
91.05479	2.5
93.07011	3.8
95.04979	1.6
95.08597	4.3
97.02883	3.8
97.06534	0.9
99.04456	1.0
101.02375	1.3
105.07042	1.6
107.08596	2.2
109.02896	1.1
109.06521	1.2
109.10149	1.4
112.46230	0.8
119.08588	1.6
121.10127	2.6
127.03910	2.2
132.22823	0.8
133.10092	1.0
145.10075	0.9
178.71114	0.8
243.08398	2.7
334.71909	0.9
349.19897	6.5
381.85336	0.9
484.55493	0.8
519.29645	4.6
567.27734	2.1
845.50049	100.0
846.50006	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.7
67.05492	6.3
69.03436	3.7
69.07082	1.2
69.73347	1.8
69.73739	1.9
71.01328	0.9
71.04984	1.1
73.02927	4.7
78.98759	0.9
79.05494	4.8
81.03413	2.6
81.07038	6.6
83.08610	1.1
85.02904	5.0
91.03968	3.0
91.05483	2.2
93.07022	4.8
95.04951	1.8
95.08620	3.9
95.56001	0.9
97.02872	4.7
97.10196	1.2
98.22730	1.1
99.04460	1.3
101.02396	2.3
105.07049	1.9
107.08583	2.0
109.10187	1.9
119.08641	1.5
121.10162	1.9
121.38279	1.1
127.03922	1.1
131.08621	1.4
133.10161	1.6
144.17732	0.9
158.17488	0.9
203.05437	0.9
243.08481	3.0
267.00281	1.2
298.15237	1.1
331.57724	0.9
349.19949	2.8
519.28949	5.8
558.08820	1.1
558.36102	1.1
567.27789	3.4
711.01520	1.2
768.64294	1.0
845.50006	100.0
846.50476	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	846.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	1.2
62.23515	0.5
69.03424	13.9
71.04982	0.7
73.02913	1.9
81.03416	7.3
83.04979	1.2
85.02903	9.7
87.04472	4.7
95.04992	0.8
97.02893	16.4
99.04427	1.8
101.02354	0.7
103.03961	1.0
106.07429	0.5
107.04971	0.9
109.02859	8.7
111.04433	1.6
115.03922	100.0
116.04265	1.2
121.02901	0.7
121.06522	0.6
123.04412	1.7
125.05962	0.7
127.03902	8.3
133.04955	11.9
135.04391	0.9
139.03864	1.7
145.04967	2.3
149.05972	0.9
151.03915	2.1
157.04990	1.4
163.03900	0.7
165.05466	0.6
169.04906	0.7
177.05492	1.4
181.04933	1.9
187.05972	0.8
193.05031	0.8
195.06638	1.1
199.06079	0.9
205.05017	1.4
211.06003	0.9
213.07535	0.9
217.07025	1.4
223.06024	2.1
241.07060	5.5
259.08124	14.6
265.07074	0.6
277.09152	25.4
301.09085	0.9
337.09134	0.8
355.10416	2.6
367.10489	0.6
373.11197	5.1
385.11154	1.3
391.12253	1.7
463.12070	0.7
481.13141	4.1
499.14502	9.6
500.15121	0.6
517.15576	6.6
535.16376	1.6
827.62543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	1.4
61.02916	0.3
61.40315	0.1
69.03423	10.5
69.62215	0.3
69.62640	0.4
71.04993	0.5
72.99101	0.1
73.02912	0.9
73.97961	0.1
81.03409	3.8
83.05006	0.2
85.02895	5.7
87.04459	5.5
93.09130	0.2
95.04995	0.2
97.02883	13.9
98.03254	0.2
99.04454	1.0
109.02866	4.1
111.04436	0.2
115.03919	100.0
116.04252	1.1
123.04443	0.3
127.03117	0.1
127.03900	5.9
133.04951	14.8
137.05948	0.2
139.03889	0.2
145.04948	2.4
149.05838	0.2
151.03929	0.3
157.04854	0.2
163.06018	0.3
165.05528	0.3
169.04964	0.4
175.06033	0.5
181.04977	0.2
187.06013	0.8
195.06561	0.3
199.06102	0.3
205.04980	0.4
205.06905	0.2
211.05981	0.7
217.07126	0.5
223.06003	1.2
229.07124	0.4
241.07022	3.1
242.07420	0.2
259.08099	16.3
260.08377	0.3
277.09149	29.8
278.09476	0.8
295.10233	0.2
301.09210	0.8
337.09030	0.3
355.10159	1.0
367.10330	0.4
373.11331	1.7
385.11401	0.3
391.12347	1.4
421.13278	0.3
481.13531	1.5
499.14334	2.1
517.15485	2.2
535.16327	0.6
659.69458	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	846.302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.5
65.03936	0.9
69.03433	6.2
69.05626	6.5
71.05001	4.5
73.02889	0.9
79.05495	3.0
81.03408	15.5
82.35337	0.8
83.04958	1.9
85.02898	23.5
87.00818	6.5
91.05478	2.6
95.04938	1.4
97.02888	9.7
99.04450	3.6
103.05440	1.4
105.01852	5.3
107.04947	9.4
108.04381	0.9
109.02866	7.0
112.58273	0.9
115.03958	1.7
115.05450	5.7
115.59521	0.8
117.07008	14.9
119.04940	1.0
123.04425	2.7
124.05193	1.9
125.05977	0.9
125.96538	0.9
127.03909	10.3
127.05398	0.9
128.06229	1.5
129.05458	2.8
129.07004	3.4
131.04962	2.0
131.08582	3.2
133.06474	1.3
135.04463	1.9
137.05962	7.9
141.06990	1.7
143.04903	1.6
144.05696	1.6
144.61960	0.8
145.04971	5.8
145.06479	34.7
147.04443	0.9
147.08022	0.8
155.06010	6.1
156.05667	6.1
157.06522	2.0
159.02924	1.5
159.08008	6.2
160.05188	2.2
161.05984	4.9
163.03926	2.2
167.07024	47.9
168.07367	1.0
172.05173	0.9
173.05963	60.9
174.06456	1.6
175.07535	11.7
177.05467	2.0
180.08607	2.1
181.04939	1.8
184.05348	1.0
187.07558	8.7
190.06224	33.7
191.06917	2.1
193.08693	2.2
200.18950	0.8
201.08905	0.8
202.06183	3.0
203.07030	7.6
204.07695	1.4
205.08585	100.0
206.08968	3.8
207.06378	1.7
208.08926	1.1
213.03761	1.0
215.07001	2.0
217.08571	42.0
218.09041	1.3
219.08145	1.2
219.10086	4.7
220.08722	1.1
223.09752	2.0
231.04910	2.0
235.07301	1.8
235.09608	31.0
247.07535	1.6
247.09686	8.3
248.08089	2.0
249.11253	2.0
263.06882	1.2
263.10733	1.8
265.10687	60.0
266.11081	1.9
269.08139	1.4
271.09683	2.3
275.06979	0.9
276.07803	1.5
277.08704	1.9
279.10114	2.4
291.10162	3.3
293.07935	1.9
299.09109	1.7
307.09769	2.0
309.11383	1.0
311.12531	1.1
315.08582	7.3
319.09659	1.3
323.12772	3.2
325.10608	1.4
330.10913	17.4
331.11685	2.8
337.10751	1.3
339.12164	2.0
341.13895	1.9
343.11923	1.5
351.12170	3.8
355.11676	1.2
369.13254	2.7
371.14972	4.1
383.14880	18.8
385.16116	1.1
401.15903	29.5
402.16220	1.1
417.15161	1.4
640.19293	1.2
673.70172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04511	1.6
61.02921	5.4
62.06139	1.3
65.03932	1.8
67.05496	23.1
69.03429	4.6
69.07073	5.5
73.02916	2.8
77.03944	1.3
79.05481	32.9
79.36774	1.2
81.03409	2.7
81.07040	20.5
83.04973	1.7
83.08627	7.4
85.02917	5.3
91.03947	2.5
91.05470	12.9
93.07034	24.6
95.04964	4.4
95.08582	12.2
97.02886	1.9
97.10156	9.5
105.07021	13.4
106.06543	6.6
107.04945	1.9
107.08579	10.7
109.10138	8.2
111.08159	1.5
115.05463	3.0
117.06993	14.2
117.07679	1.5
119.08604	4.6
121.10152	9.1
123.11682	1.6
124.11201	1.7
125.09660	10.2
129.07008	5.3
131.08566	3.4
133.06494	3.7
133.10155	3.5
134.05994	7.2
135.08067	4.5
135.11725	1.9
143.08702	1.8
144.08075	3.4
145.06429	17.2
145.10155	3.4
146.05965	12.5
147.11682	2.5
149.06071	1.9
152.07103	2.9
155.06088	2.3
162.09137	2.2
163.07587	1.7
170.11765	3.2
172.07657	1.5
173.05983	9.4
189.11241	2.9
190.08714	5.3
191.07027	7.1
199.07762	1.8
208.09680	8.8
227.12785	1.9
269.15497	1.7
297.14761	1.7
307.22537	13.1
314.17761	1.7
342.17230	3.8
360.18002	37.7
378.19110	3.4
385.72653	1.6
434.21890	6.9
452.22510	12.1
506.13324	1.5
666.39465	2.3
684.40930	71.6
685.41931	5.8
693.47498	1.6
846.46216	100.0
847.46265	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	846.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.5
67.05495	21.8
69.03424	11.0
69.07056	39.7
69.34273	1.2
69.42954	2.6
69.43331	4.7
70.06605	1.3
71.04987	3.3
71.08627	3.2
73.02924	1.9
79.05483	8.0
81.03406	3.9
81.07047	60.1
83.08603	25.3
85.02892	54.4
85.06549	1.3
91.03944	2.9
91.05476	3.7
93.07034	17.0
95.04944	2.3
95.08593	72.2
96.08907	1.7
97.02869	15.0
97.06521	5.2
97.10154	18.5
98.22737	2.5
99.04452	1.8
101.53683	1.5
105.07018	6.3
107.08575	18.7
109.02890	5.6
109.06511	3.1
109.10139	58.7
110.40255	1.4
111.08077	1.8
111.11710	14.6
116.42764	1.1
119.08566	7.6
121.10112	14.6
123.08080	1.5
123.11683	43.5
125.13261	7.2
127.03885	13.1
127.11204	1.5
131.08607	1.4
133.10120	3.8
135.11670	14.0
137.09622	1.8
137.13235	21.3
145.04944	22.2
145.10123	2.3
147.11670	6.9
149.09534	1.5
149.13196	10.3
151.14772	12.5
155.10663	3.0
159.11632	3.8
161.13271	4.9
163.05975	12.7
163.07169	1.7
163.14803	5.1
165.12738	5.1
165.16376	4.8
166.71751	1.2
169.12358	1.6
173.13271	2.3
175.14838	3.8
177.16328	6.8
179.14319	5.0
179.17969	2.7
183.13782	3.1
191.17934	4.9
193.15904	1.9
197.15346	2.9
205.19469	2.0
207.17293	2.1
215.18021	2.3
261.25742	17.1
271.10660	1.4
271.24179	17.6
279.26791	3.5
289.25204	100.0
290.25565	4.8
307.22693	2.3
307.26270	44.5
325.11386	7.5
325.27274	10.2
415.28122	2.0
433.29370	3.4
451.30457	5.4
469.31522	22.9
470.31613	1.7
473.36053	1.3
723.37878	1.6
750.86591	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51772	7.0
91.71188	1.5
121.23161	1.8
131.29410	1.6
134.76488	1.7
145.08601	1.7
175.03641	28.3
189.05217	16.0
205.04813	2.1
217.71043	1.6
350.44952	2.3
439.13559	2.3
453.15460	3.1
847.31128	100.0
847.44659	8.3
848.31793	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	847.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.6
67.05491	6.6
69.03419	3.2
69.07072	1.8
71.04995	0.7
73.02910	5.0
78.51913	0.5
79.05482	5.1
79.67645	0.4
81.03416	2.0
81.07048	5.9
83.08620	0.7
85.02896	5.5
91.03929	4.0
91.05460	2.8
93.07012	3.3
95.04954	0.8
95.08596	3.7
96.53426	0.5
97.02876	4.5
97.10182	0.7
99.04456	1.0
101.02378	2.2
103.03994	0.5
105.07024	2.3
107.08632	2.5
109.02879	1.3
109.10175	2.0
112.41736	0.5
117.07040	0.7
119.08596	1.2
121.10151	1.8
123.11736	0.6
125.09638	0.9
127.03902	1.4
131.08586	0.8
133.10146	1.0
135.11713	0.9
145.10107	0.7
147.11688	0.7
149.13257	0.6
185.04277	0.7
203.05260	0.5
211.21915	0.5
243.08347	3.5
335.26065	0.9
351.21317	3.3
474.24713	0.5
519.29175	7.7
569.29132	4.5
811.18646	0.6
847.51587	100.0
848.51709	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	847.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.0
62.46100	0.3
67.05499	4.6
69.03419	2.2
69.07059	1.6
69.28991	1.6
71.01373	0.4
71.04987	0.4
73.02907	2.9
79.05485	2.9
80.33896	0.3
81.03416	1.1
81.07047	5.0
83.04944	0.4
83.08617	0.5
85.02905	3.8
85.06563	0.3
87.04514	0.4
91.03934	2.0
91.05466	1.9
93.07039	3.1
95.04979	0.9
95.08597	2.8
97.02882	3.0
97.10167	0.5
98.23449	0.7
99.04465	0.8
101.02381	1.4
103.03961	0.4
105.07034	1.3
107.08614	1.7
109.02906	0.7
109.06486	0.3
109.10133	2.3
111.08140	0.3
117.06986	0.6
119.08577	1.1
121.10123	0.9
122.28612	0.3
125.09644	0.4
127.03939	1.3
131.08589	0.6
133.10159	1.0
135.11697	0.8
145.10056	0.4
147.11710	0.4
149.13298	0.6
158.82370	0.3
182.95258	0.3
185.04257	0.5
194.03130	0.3
203.05312	0.7
243.08376	1.8
333.20575	0.4
335.25858	0.5
351.21304	2.2
404.67218	0.3
407.23889	0.5
430.94858	0.3
519.29181	5.0
523.47565	0.3
531.83942	0.3
569.29236	4.9
666.96100	0.4
847.51605	100.0
848.52063	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	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	9.7
65.60058	2.4
66.34738	2.4
67.05497	100.0
69.03412	4.5
69.07063	7.1
69.26860	15.4
70.11416	2.7
73.02917	3.4
77.79981	2.4
79.05490	22.3
81.07050	33.3
83.08604	7.0
85.02901	13.9
85.06503	3.1
91.03928	10.3
91.05473	14.6
93.07020	27.1
95.04941	3.8
95.08595	25.3
97.02876	5.8
97.10151	4.0
98.23538	5.9
99.04436	3.0
105.07024	7.9
107.08586	15.7
109.10139	84.0
111.08063	3.1
117.07016	5.1
119.08569	14.7
121.10143	10.1
131.08539	4.9
133.10123	6.5
135.11644	8.6
145.05000	3.2
145.10091	6.0
147.11659	3.5
149.13237	5.5
155.10652	5.0
159.11681	5.7
161.13235	5.5
163.05994	4.8
163.14848	3.4
172.31532	2.5
173.11684	17.0
176.93445	2.6
227.12711	3.8
229.14325	92.5
243.21072	6.3
261.22061	20.9
335.25766	70.2
336.26205	3.6
367.25687	2.4
408.69751	2.5
466.99707	2.8
471.34805	3.4
489.35620	65.5
490.36084	3.0
507.36539	7.6
674.85455	3.1
775.59973	2.7
848.47174	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	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.9
61.02922	9.0
65.03919	2.6
67.05494	92.5
69.07054	5.0
71.04965	3.4
73.02915	3.5
79.05482	19.2
81.07045	34.3
81.07502	2.7
82.07355	1.3
83.08595	8.9
85.02888	13.8
85.06531	2.8
91.03943	9.0
91.05478	12.5
93.07029	21.3
95.04979	3.9
95.08588	25.6
97.02880	7.6
97.10180	2.6
105.07026	7.0
107.08575	14.5
109.06540	2.1
109.10138	70.3
111.08076	2.8
117.06999	2.5
119.08572	9.9
121.10126	10.3
123.11694	3.4
127.03896	2.7
131.08508	7.3
133.10085	5.3
135.11690	9.5
137.09608	2.1
145.04941	3.7
145.10109	4.3
147.11652	2.7
149.13237	4.7
155.10651	2.9
156.30516	1.3
159.11668	5.7
161.13184	2.5
162.46498	1.3
163.06012	4.8
163.14842	3.0
173.11742	18.8
173.13136	2.2
177.16464	1.5
178.78743	1.4
179.92838	1.2
187.14876	1.6
188.81831	1.3
189.11061	2.1
227.12848	7.8
229.14322	100.0
230.14684	3.0
236.71745	1.4
243.21071	5.3
261.22098	17.2
279.23093	1.5
293.75006	1.4
317.24731	3.5
335.25739	70.1
336.26065	2.7
397.30786	2.2
415.31589	1.6
489.35684	55.3
490.35956	2.8
507.36655	7.1
645.40692	1.6
848.50519	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	851.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55220	0.8
69.08064	1.9
69.08463	3.8
69.99883	0.8
78.18089	0.8
84.39016	0.8
115.03968	2.2
118.98106	0.8
148.10878	0.9
148.72763	0.7
173.03117	0.7
194.13940	0.9
250.35596	0.7
251.69429	0.8
251.76701	0.9
299.07291	1.3
317.08353	4.6
367.10223	1.2
402.44244	0.7
413.10504	7.8
431.11630	4.2
461.12817	2.1
479.13660	1.1
547.17236	1.3
557.14575	1.6
575.15790	2.7
593.16681	3.7
689.18878	11.5
737.21246	1.3
851.24164	100.0
852.24908	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	853.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.5
62.10085	0.9
66.45111	0.9
67.05499	6.8
67.15842	0.8
69.03432	2.5
69.07068	1.1
73.02911	6.1
78.24331	0.9
79.05524	2.1
81.03432	1.5
81.07075	3.5
83.08620	1.1
85.02893	6.8
91.03979	4.2
93.07069	2.6
95.08600	1.4
97.02885	5.1
101.02405	2.5
105.07035	0.9
105.65792	0.8
107.08650	1.0
109.02907	0.9
109.10149	4.3
120.31633	0.9
127.03962	2.6
142.10449	1.1
150.30048	0.9
151.43747	0.9
166.76369	1.1
173.11789	2.0
203.05208	1.1
211.47681	1.1
229.14510	1.4
242.43198	0.8
243.08478	1.7
327.71808	0.9
347.09671	2.5
365.10965	1.2
405.13559	6.5
413.17801	11.6
417.64441	1.0
519.29016	4.7
556.22479	1.2
575.23022	9.6
681.34882	3.5
691.40265	1.9
805.52856	1.3
853.45416	100.0
854.45813	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	853.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05208	0.6
61.02917	7.0
67.05492	5.5
69.03422	4.2
69.07060	1.0
71.01353	0.9
71.43872	0.7
71.81201	0.6
73.02558	0.8
73.02902	4.1
79.05482	2.3
81.03422	2.0
81.07056	3.4
83.08602	0.7
85.02897	7.0
87.04468	1.2
91.03940	3.8
91.05476	1.3
93.07047	2.9
95.04978	1.0
95.08614	2.2
97.02883	5.6
97.06506	0.8
99.04478	0.9
101.02398	2.8
105.07055	0.6
107.08583	1.4
109.02943	0.8
109.10149	3.6
113.80880	0.7
115.03976	0.9
121.10183	0.8
127.03904	1.3
135.11710	0.8
145.10091	0.7
173.11761	1.1
185.04373	1.0
195.09918	0.7
195.95416	0.7
229.14453	0.7
243.08350	1.8
347.09619	2.4
364.72968	0.7
365.10678	1.0
405.13687	4.0
413.17770	5.2
519.29193	5.3
575.22852	3.8
642.67651	0.7
681.34229	6.2
691.40222	0.9
699.59460	0.7
716.80219	0.7
853.45404	100.0
854.46002	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	854.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.4
67.05492	54.7
69.03426	13.8
69.07053	38.6
71.04980	4.4
73.02904	3.1
79.05476	47.7
81.03393	13.6
81.06554	3.1
81.07038	55.9
83.04967	10.2
83.08590	14.7
85.02871	4.0
85.06538	2.8
91.05464	42.7
93.07026	45.1
95.04960	16.5
95.08588	26.8
97.02866	12.4
97.06517	13.9
97.10146	15.3
104.01312	2.0
105.04468	2.2
105.07003	29.5
107.04925	12.1
107.08569	34.5
109.06490	7.3
109.10123	14.3
111.08078	4.8
117.07001	15.6
119.08561	24.1
121.06483	6.1
121.10111	14.0
123.08041	6.8
123.11666	2.6
125.09595	15.0
129.06970	8.2
131.08553	18.5
133.06491	2.6
133.10106	20.8
135.08017	7.9
135.11652	8.8
137.09572	2.9
141.06958	2.1
143.08537	5.6
144.09319	2.0
145.06514	3.0
145.10081	14.8
147.07993	5.9
147.11627	9.9
149.09587	8.4
149.13240	7.3
151.11160	3.3
153.09084	2.6
155.08609	3.0
157.10176	5.0
159.11670	9.7
161.09578	3.3
163.11127	9.0
165.09198	2.1
171.11613	4.4
173.05728	2.3
173.13196	3.7
175.11154	2.5
177.12849	3.8
185.13261	2.7
189.11212	6.0
195.13684	3.7
218.77454	1.8
223.13260	18.6
227.12721	13.5
245.18941	2.9
249.14771	4.7
253.14259	4.2
255.15695	5.0
257.18933	4.6
267.15891	2.6
269.17438	11.6
273.18439	16.0
275.19955	16.3
287.12927	2.9
291.19495	100.0
292.19949	3.2
293.20816	2.6
335.25711	3.1
347.22034	3.2
349.23752	19.5
365.23135	41.9
439.84225	2.9
527.33588	2.2
535.32434	4.2
541.35419	2.3
545.34558	11.5
559.36206	36.7
560.36139	3.1
639.42401	19.5
657.43964	2.8
692.39331	2.7
854.45825	27.2
855.45563	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	856.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	73.9
65.03923	1.4
67.05495	52.5
67.05858	2.5
69.03423	9.7
69.07061	9.7
71.04984	3.8
71.34203	1.5
73.02903	25.0
74.95567	1.3
75.04462	1.7
79.05478	31.2
81.03413	5.3
81.07043	69.4
83.04970	1.7
83.08611	5.8
85.02891	91.0
87.04458	1.8
91.03942	82.6
91.05457	18.8
93.07034	40.3
95.04958	5.7
95.08591	53.2
97.02880	46.5
97.06537	4.1
97.10147	2.5
99.04432	6.2
101.02358	1.9
103.03962	2.3
105.07005	13.4
107.08582	27.9
109.02838	4.0
109.06512	2.0
109.09411	2.6
109.10141	28.3
111.08058	2.1
115.03904	3.7
117.06985	5.3
119.08556	12.8
121.10132	28.4
123.11689	13.4
127.03012	2.9
127.03899	37.5
131.08563	18.6
133.10132	12.0
135.08093	1.5
135.11665	21.8
137.09604	3.0
137.13243	5.3
145.04935	47.6
145.10100	13.0
147.11673	10.0
147.12663	1.6
149.13239	17.1
151.14842	2.2
153.12769	1.6
159.11644	13.6
161.13234	9.1
163.05995	100.0
163.14745	12.7
165.12706	3.7
171.28828	1.5
173.13203	10.3
175.14832	5.0
177.12697	1.7
177.16359	5.6
179.14220	3.4
185.79443	1.4
187.14760	8.6
201.16388	2.4
205.15791	2.7
233.22546	2.6
243.21045	35.2
244.21365	1.6
261.22110	99.2
262.22552	1.8
263.23566	1.8
269.17215	1.5
279.23141	5.1
325.11169	5.1
335.25748	38.3
353.26810	74.1
354.27197	2.0
359.60391	1.4
497.30899	6.2
733.74243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79318	0.1
65.03931	1.8
67.05493	1.6
67.85886	0.1
69.03420	2.2
69.68848	0.6
71.04980	13.3
71.05339	0.6
73.02864	0.3
77.03896	0.2
80.02582	0.2
81.03405	4.2
85.02889	2.7
85.06529	3.9
89.03850	0.2
93.03368	1.0
95.04953	2.7
97.02880	2.7
97.06394	0.1
99.04403	0.6
103.07533	0.2
105.04496	0.3
108.02081	1.8
109.02181	0.2
109.02860	3.2
110.03587	0.3
111.04428	2.8
113.05989	3.3
117.03329	0.6
123.04413	0.3
125.05975	1.8
127.03895	2.4
127.07533	9.7
130.52171	0.2
131.06079	0.3
131.07014	3.5
135.04453	0.3
136.01563	0.2
137.05891	0.3
141.04449	0.2
141.05458	2.6
145.02835	1.2
145.04929	0.9
145.08572	46.8
146.08849	0.7
151.03883	100.0
151.04941	6.6
152.04221	1.7
155.06998	3.1
169.04936	7.3
170.05238	0.2
173.08063	2.5
176.95830	0.2
177.05453	2.6
185.08098	0.2
187.05969	0.3
191.09117	3.7
211.06009	0.2
239.09142	0.2
252.76106	0.2
253.07169	0.2
257.10312	0.6
277.07050	1.2
295.08087	4.3
296.08612	0.3
299.11176	1.2
313.09116	8.4
314.09607	0.3
317.12305	1.6
323.11209	0.9
335.13361	1.9
457.13779	0.3
467.15771	0.3
485.16348	1.4
629.21942	0.2
647.23254	0.5
877.00421	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	859.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42893	1.0
69.79375	2.0
69.79780	2.1
74.74810	1.0
92.76924	1.0
98.22710	1.1
122.89671	1.0
126.09380	1.0
130.55025	1.0
137.06030	2.3
148.08461	1.1
172.07266	5.3
191.92662	0.9
194.02873	0.9
218.07872	7.3
259.36765	1.0
268.07614	1.1
288.57321	1.2
301.09622	1.8
302.10037	1.2
309.12082	1.1
310.12869	2.1
317.08972	5.1
330.09860	3.1
331.10605	4.6
332.11328	1.4
337.11401	1.9
338.11926	4.7
339.13354	8.9
345.12146	3.4
349.11853	1.2
350.12241	3.3
361.07986	4.0
361.11621	2.1
367.13046	3.3
375.09674	3.4
376.10431	2.8
377.11151	3.5
380.16241	1.0
389.11285	4.1
466.17435	2.3
482.16827	2.3
509.15619	1.7
510.16422	2.7
528.17505	2.8
542.19208	3.0
602.21423	2.1
616.22437	1.5
617.23102	4.9
618.23199	1.7
626.22156	1.1
628.22845	4.5
630.20673	3.4
632.25616	2.3
644.21173	1.1
645.23352	3.1
646.23804	7.8
649.22864	1.2
660.24939	6.2
661.22510	4.6
662.23267	3.4
664.24982	4.6
672.21362	5.0
676.24878	3.5
690.22437	10.3
691.23334	1.4
704.24060	83.8
705.24707	23.6
722.25446	4.0
736.26715	100.0
737.27356	18.9
738.28363	1.6
795.28058	1.7
827.30969	40.4
828.31122	4.1
859.33545	39.4
860.33655	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	859.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.5
61.65036	0.8
67.05494	7.9
68.93710	0.7
69.03439	2.2
69.07057	4.2
69.98792	0.8
71.44904	0.9
71.59601	0.8
72.99656	0.8
73.02951	1.4
79.05477	7.1
81.03415	2.4
81.07043	8.2
82.86610	0.8
83.08614	1.8
85.02907	3.6
91.03979	0.8
91.05473	4.6
93.07024	6.7
94.74632	0.8
95.04981	2.7
95.08618	3.4
96.08937	0.9
97.02879	3.6
97.06532	1.9
97.10156	1.1
98.90019	0.8
105.07050	3.4
107.04980	0.7
107.08575	4.5
109.06525	1.4
109.10154	3.1
113.06033	1.0
117.07037	1.0
119.08606	3.2
121.10174	2.0
125.09650	0.8
131.08597	2.1
133.10138	2.0
135.11676	1.9
145.10191	1.5
147.11678	1.2
149.13316	1.4
159.11685	1.2
169.10052	0.7
243.08337	4.0
273.18552	0.8
281.64862	0.8
291.19531	1.6
329.91452	0.8
335.26031	3.0
336.26144	1.7
453.21771	1.1
499.38205	1.4
517.39398	1.6
549.26495	4.8
551.27930	4.1
597.52203	0.9
626.44873	0.9
859.47906	100.0
860.48364	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	859.48
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02921	3.5
67.05491	11.2
69.03429	4.1
69.07069	5.9
71.04969	1.2
73.02912	2.7
79.05493	8.2
80.55354	0.9
81.03404	3.0
81.07046	9.0
83.04996	1.6
83.08608	2.4
85.02892	4.3
87.03017	0.9
91.03955	2.8
91.05480	4.7
93.07046	7.4
95.04949	1.8
95.08595	5.0
97.02898	4.1
97.06496	1.9
97.10181	1.6
101.02402	1.1
103.38524	0.9
105.07047	4.3
107.08607	3.3
109.06528	1.4
109.10152	3.3
112.80385	1.0
114.64542	1.0
117.07038	2.1
119.08575	1.6
121.10139	2.8
123.08097	1.4
125.09628	1.5
127.03896	1.5
129.07068	1.3
131.08565	1.6
133.10187	1.5
135.11702	2.2
136.24045	0.9
145.10141	1.6
149.13150	1.3
159.11740	1.2
160.12064	0.9
180.07907	0.9
185.04201	1.1
223.13274	1.4
243.08473	3.8
249.37051	1.1
288.56848	0.9
291.19556	2.2
292.19907	1.0
333.20398	1.6
335.25803	1.7
336.26187	1.7
439.19742	1.3
453.21057	1.3
480.51895	1.1
512.99365	0.9
530.39551	1.4
549.26917	5.1
551.28040	7.1
841.45337	1.3
859.47943	100.0
860.48145	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	860.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91694	1.2
61.02922	2.4
62.29795	0.9
67.05495	15.4
69.03422	2.6
69.07066	3.6
69.23360	5.6
71.05034	1.0
73.02913	2.1
79.05484	14.1
80.57079	1.0
81.03410	2.3
81.06271	1.0
81.07043	15.7
83.08611	1.1
85.02903	2.2
91.03974	2.0
91.05462	9.2
93.07034	12.4
95.04975	3.1
95.08597	10.1
97.02888	2.3
105.04520	1.3
105.07014	5.8
106.06539	12.4
107.04926	2.2
107.08568	5.2
109.10154	2.8
115.05444	1.4
117.07012	4.7
119.08523	6.3
121.06550	1.6
121.10146	4.2
129.07018	4.6
131.08521	6.7
133.06494	2.1
133.10144	3.2
134.05981	11.1
135.04430	1.6
135.11729	2.5
137.09641	1.2
141.07013	3.7
143.08565	4.4
145.06509	4.9
145.10150	3.2
146.06004	1.6
147.11717	1.8
149.13243	2.1
152.07060	6.9
155.08510	2.2
157.06491	4.0
157.10152	1.8
159.08066	4.6
159.11687	1.1
160.07539	1.8
166.07893	1.2
167.08592	2.1
171.08063	3.5
171.11694	1.3
172.07462	1.2
173.09650	1.2
181.10141	1.4
183.08185	1.0
183.11543	1.3
184.07315	1.2
185.09685	3.1
187.07591	2.2
199.07439	1.2
239.14658	1.1
265.15912	2.0
267.13846	1.1
283.17017	1.4
301.17966	1.4
311.16446	3.3
328.19168	2.1
329.17514	1.7
335.25699	6.5
346.20090	30.0
364.21237	3.7
420.23782	9.8
438.24893	6.6
603.32507	1.2
645.39941	1.7
698.46094	43.6
699.47028	2.0
860.51343	100.0
861.51514	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	860.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.9
62.74103	1.6
67.05492	19.6
68.37068	1.8
69.03421	2.9
69.07049	3.7
73.02927	3.7
79.05492	12.4
81.03383	2.0
81.07045	18.3
83.08624	3.1
83.20102	1.8
83.53471	1.9
85.02884	2.3
86.09697	2.2
91.05482	10.7
93.07043	11.1
95.08574	13.3
97.02871	2.4
98.30547	1.7
102.22812	1.8
105.07034	5.0
106.06541	13.1
107.08544	4.3
109.10183	4.2
117.07042	4.9
119.08583	8.4
121.10150	4.4
129.06992	3.6
131.08510	4.1
133.10109	2.7
134.05983	12.7
141.06984	3.4
143.08585	3.8
145.06500	4.5
145.10143	3.7
150.70938	1.9
152.07104	8.1
155.08505	3.6
157.06493	3.7
159.08047	7.6
161.05890	2.1
171.08089	3.2
185.09735	3.1
319.22488	2.2
328.19116	4.0
335.25836	6.9
346.20096	27.8
364.21298	4.0
420.23953	6.1
438.24963	11.3
678.53296	2.1
698.46204	40.8
860.51355	100.0
861.50922	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	861.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	0.4
62.56224	0.2
65.03931	2.2
68.99797	0.3
69.03420	3.1
70.06572	0.3
71.01369	0.3
71.04983	10.6
73.02907	0.4
75.04482	0.5
77.03923	0.3
81.03406	6.3
83.04971	2.5
85.02892	13.1
86.09701	3.3
91.05461	0.4
92.77145	0.2
95.04954	4.8
97.02882	6.0
99.04441	0.9
103.05471	0.3
105.04497	0.2
107.04970	0.3
109.02869	3.8
111.04438	4.2
119.04997	0.2
121.02851	100.0
122.03162	0.7
125.21648	0.2
125.98010	0.2
127.03906	3.1
129.05449	2.8
131.04910	0.3
131.07004	0.2
135.04500	0.3
135.11705	0.3
136.07570	0.4
137.02252	0.4
137.05983	0.8
139.03882	19.2
145.04941	1.8
145.08615	0.6
147.04422	0.7
147.06479	0.7
151.07677	0.3
153.01805	1.7
153.05499	0.3
161.09634	0.3
161.97171	0.2
163.03851	0.5
165.01837	0.9
165.05429	0.3
167.07132	0.3
177.05449	0.3
183.02834	0.3
199.18079	0.6
201.59030	0.2
203.06915	0.2
213.05406	0.5
227.17596	0.9
231.06413	0.5
237.07430	0.3
239.08916	0.3
241.04933	0.4
247.06044	0.8
249.07544	0.9
258.05264	0.4
259.05966	0.3
265.07031	12.3
266.07446	0.3
267.08609	0.3
270.96432	0.2
283.08090	14.0
284.08347	0.4
287.05457	55.6
288.05710	1.2
293.12411	0.4
299.05521	0.7
325.07169	0.3
329.06564	1.6
353.06595	0.5
379.07959	0.6
393.11771	0.4
397.08942	1.2
415.10168	0.6
433.11234	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	861.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70300	5.7
78.29214	3.3
88.89658	3.2
89.80882	2.8
166.74840	3.0
175.03633	75.4
198.12161	3.1
203.03099	4.2
315.34097	3.3
354.76907	3.5
380.27496	3.0
439.13376	7.3
453.15018	8.1
483.16342	5.5
512.63855	3.8
636.20856	10.4
637.22375	4.7
861.29077	100.0
862.29449	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	861.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44598	0.7
95.08581	0.8
103.12595	0.8
132.50525	0.7
185.04343	1.0
203.05147	1.5
257.06189	0.8
259.08002	1.1
278.83789	0.8
289.09335	0.9
301.20471	1.4
305.08459	1.6
347.09445	7.5
365.10513	5.9
399.07275	0.8
407.11597	2.9
421.12991	2.4
437.12662	1.4
451.14252	1.4
463.90128	0.8
467.13721	2.2
509.14581	4.4
527.15875	5.4
537.30170	4.8
583.18555	2.5
699.35138	8.4
734.52155	0.8
861.40594	100.0
862.40533	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.8
65.03922	0.6
67.05492	5.1
69.03409	3.2
69.03677	0.3
69.07057	3.1
69.47755	1.6
71.04984	0.7
73.02905	2.4
75.93243	0.4
79.05479	4.7
81.03400	2.1
81.07035	4.8
81.38808	0.4
83.04983	1.1
83.08613	1.1
85.02896	3.6
87.04465	0.4
91.03931	2.0
91.05465	4.3
93.07030	4.0
95.04942	2.1
95.08601	3.1
97.02877	3.9
97.06492	0.8
97.10203	0.4
98.22720	0.7
99.04484	0.7
101.02384	1.7
105.07011	2.4
107.08569	2.3
109.06483	0.5
109.10152	1.1
117.07046	1.1
119.08567	1.8
121.06463	0.4
121.10152	1.3
123.08061	0.5
127.03923	1.3
129.06973	0.7
131.08592	1.2
133.10135	1.1
135.08026	0.4
135.11693	1.3
136.06169	9.6
137.06549	1.0
145.10130	0.9
147.11662	0.7
157.10139	0.4
185.04333	0.5
203.05429	0.4
243.08385	3.6
267.16125	0.8
271.70789	0.4
301.09027	0.7
333.20309	2.5
336.26398	0.5
346.20212	0.6
347.20114	0.5
389.22974	0.9
430.08893	0.4
439.19601	1.4
453.21173	1.1
460.55032	0.4
551.28210	8.8
699.45667	2.6
861.49524	100.0
862.49829	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	861.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.9
61.85193	1.9
67.05483	2.4
68.37164	2.2
69.03409	2.1
73.82880	2.1
79.05486	3.1
81.07034	2.4
85.02889	5.6
87.04495	1.9
91.03948	2.5
91.48152	1.9
93.07021	5.2
97.02879	1.9
121.10156	2.6
221.34998	1.9
243.08441	3.1
295.05560	2.5
423.78574	2.5
519.28735	4.6
583.30383	6.3
705.17371	2.7
861.53467	100.0
862.52466	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	864.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99681	0.2
61.02905	0.3
69.03419	12.2
71.04983	0.4
71.31299	0.3
73.02898	1.1
80.85485	0.2
81.03408	4.7
83.04997	0.2
85.02898	6.9
87.04462	5.7
95.04958	0.5
97.02880	15.6
99.04430	1.6
102.93493	0.3
103.03914	0.2
109.02869	5.8
111.04442	0.7
115.03914	100.0
116.04239	0.7
123.04386	0.4
127.03904	8.1
133.04953	10.8
135.04399	0.3
137.05937	0.3
139.03874	0.3
145.04932	2.8
149.05946	0.3
151.03908	0.7
157.04953	0.6
165.05453	0.4
169.04921	0.4
175.05974	0.5
177.05420	0.4
181.04974	0.5
187.06065	1.1
193.04936	0.3
195.06476	0.3
199.06059	0.6
205.04988	0.5
205.06905	0.2
211.05978	0.9
217.07002	1.3
223.06004	1.9
229.07045	1.0
241.07008	4.0
253.06979	0.3
259.08115	12.3
277.09146	14.3
294.71857	0.2
301.09229	1.5
311.47806	0.2
323.25870	0.3
325.08932	0.3
328.34204	0.3
337.09079	0.7
343.10309	0.3
345.33606	0.2
349.09274	0.3
351.75049	0.2
355.10214	1.4
367.10175	1.0
373.11282	5.5
385.11142	0.8
391.12238	1.5
403.11710	0.2
419.68140	0.2
421.13260	0.6
427.12384	0.2
454.13287	0.2
463.12039	0.4
481.13260	2.4
499.14435	3.8
517.15436	4.4
535.16705	1.1
613.17926	0.3
664.17786	0.3
885.09802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92379	0.2
61.02912	0.5
63.23651	0.3
69.03422	11.0
69.28156	0.9
70.70078	0.3
71.01315	0.3
71.04997	0.4
71.19817	0.2
71.45559	0.2
73.02904	0.7
79.92608	0.2
81.03414	3.8
85.02892	5.7
87.04456	5.1
97.02879	15.0
99.04436	1.3
109.02866	3.9
111.04464	0.6
115.03917	100.0
116.04253	0.5
127.03899	5.4
133.04953	14.9
135.04382	0.3
145.04919	2.5
151.03864	0.4
157.04927	0.3
187.06041	0.6
197.15205	0.2
201.24937	0.2
211.06067	0.3
217.07106	0.3
218.61784	0.2
223.05989	1.1
223.12718	0.3
229.06982	0.4
241.06989	3.2
244.15767	0.3
259.08099	15.2
277.09152	25.4
278.09512	0.5
295.10367	0.5
301.09280	0.7
337.09018	0.4
355.10367	0.7
367.10126	0.4
373.11295	1.8
385.11148	0.5
391.12396	1.2
409.13391	1.3
421.13495	0.3
481.13434	1.3
499.14337	2.4
517.15436	2.0
535.16687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15813	0.3
65.03930	0.8
67.05498	18.7
67.05860	0.9
69.03426	8.2
69.07067	0.9
71.04994	1.9
73.02934	0.6
75.87343	0.4
77.03877	0.3
78.27225	0.4
78.53413	0.3
79.05467	2.8
80.89286	0.4
81.03410	26.7
81.07047	11.3
83.04977	0.4
85.02896	5.3
91.05462	2.4
93.07040	2.8
95.04950	4.6
95.08595	5.6
97.02881	4.7
99.04447	4.2
99.08118	0.5
102.59552	0.4
103.05479	0.4
105.06996	0.5
107.04955	0.9
107.08569	2.3
109.02869	22.3
109.06519	2.0
109.10146	44.8
110.10475	0.5
111.04420	1.4
115.05451	1.3
117.07022	1.0
119.08562	3.0
119.97074	0.4
121.10178	0.7
122.03645	1.3
123.04410	0.8
123.08099	0.4
125.02362	0.5
125.05968	2.3
127.03902	21.3
127.07520	0.6
129.06975	1.1
131.04866	0.7
135.08069	0.5
137.05980	19.0
137.09599	100.0
138.09932	1.7
139.03915	0.5
143.04919	1.6
144.05592	0.5
145.04993	0.6
147.07976	0.7
151.03857	1.0
155.10638	6.0
157.06473	1.6
160.05164	2.8
161.05966	1.3
163.07501	0.7
165.09099	76.7
166.09464	1.1
172.05209	0.7
174.06720	0.5
175.07523	13.7
181.05023	0.4
183.10146	7.0
187.07529	6.8
189.05455	0.5
189.09090	1.7
201.09306	0.9
201.11192	14.3
203.08601	0.9
205.08560	2.3
211.07550	0.8
217.04788	0.9
217.08653	0.8
217.36151	0.5
219.08124	0.7
225.11185	2.1
231.08011	0.6
235.05928	1.3
235.09607	1.7
238.78938	0.4
243.12299	0.9
245.11726	0.4
247.07370	0.5
248.08423	0.6
250.02284	0.4
251.10817	0.5
253.07027	1.0
255.12108	0.6
263.10461	0.8
263.12976	0.5
265.08517	0.4
271.09781	0.5
273.11124	0.7
279.10049	1.0
281.13861	0.4
285.13327	0.6
291.09564	0.8
291.12680	2.9
291.72681	0.4
307.04111	0.4
309.13312	15.7
310.13678	0.7
311.12592	0.8
323.12695	2.0
327.14349	27.2
328.14688	0.9
341.13788	1.9
345.15408	0.6
351.14587	0.8
355.13733	0.9
357.13434	0.8
369.15402	3.5
387.16571	0.4
396.82489	0.5
417.15283	1.4
435.16501	3.7
453.17487	13.9
454.17670	0.8
471.18604	14.7
472.18564	0.7
489.19644	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	866.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08643	0.3
64.60084	0.3
65.03919	1.1
67.01850	0.4
67.05496	22.5
69.03416	8.5
69.07051	1.0
70.62337	0.3
71.01335	0.6
71.04981	2.3
73.02894	0.6
76.68418	0.4
79.05476	3.4
80.62498	0.3
81.03407	30.2
81.07043	12.6
81.07413	0.3
82.03689	0.4
83.04991	0.8
85.02895	5.6
91.05462	3.9
93.07027	8.3
95.04951	4.9
95.08592	6.9
97.02878	5.9
97.06516	0.6
97.54895	0.3
99.04433	3.4
99.08058	0.4
103.05452	1.0
105.07003	1.3
107.04903	0.4
107.08574	4.2
109.02866	23.3
109.06492	2.2
109.10139	46.4
110.10459	0.7
111.04431	1.6
115.05441	1.1
117.07020	0.5
119.04931	0.4
119.08573	3.9
121.02814	0.9
121.06490	0.5
121.10123	4.3
122.03651	0.5
123.04401	1.0
125.02312	0.5
125.05946	2.0
127.03899	20.2
128.06226	0.7
129.06966	2.6
130.01282	0.3
130.07700	0.4
131.04875	1.1
131.08530	2.3
135.04471	0.4
135.08081	0.7
137.05986	10.0
137.09593	100.0
138.09953	1.4
139.03870	0.5
141.06981	1.6
143.04878	0.5
143.08522	0.6
145.04918	0.6
147.04390	0.7
147.06645	0.3
147.07945	0.8
149.09586	2.2
151.03859	1.2
151.07495	1.5
155.08563	0.4
155.10643	4.6
157.06491	1.8
158.07236	0.6
159.08043	1.8
160.05252	0.4
161.06021	0.8
161.09518	0.6
163.03870	0.7
163.07532	1.5
165.09091	71.8
165.18019	0.4
166.09413	1.1
167.07112	0.5
167.10619	1.3
169.04961	0.6
169.06439	0.7
171.07986	1.1
173.06073	0.5
174.06738	3.8
175.07503	3.7
177.09023	0.4
181.04932	0.6
183.10158	5.9
186.06755	1.0
187.07454	1.3
189.05330	0.6
189.09076	7.3
191.10641	0.8
193.05046	0.5
201.09111	3.4
201.11183	11.0
201.12971	0.8
203.10602	3.1
205.04886	0.4
207.06508	0.4
213.25056	0.3
215.07021	0.5
217.04947	0.5
217.08521	0.5
219.10135	20.4
220.10509	0.4
225.11201	1.8
227.10585	0.5
235.05966	1.6
235.09618	0.5
245.11859	0.8
253.06953	0.8
263.12909	0.6
267.12134	0.5
279.45303	0.4
281.13559	0.5
291.12283	2.7
309.13330	12.6
311.14896	0.4
323.12656	0.5
325.14148	1.4
327.14340	20.6
328.14560	0.7
341.13727	1.3
343.13644	0.4
345.15851	0.5
355.13898	0.7
369.15381	2.9
387.16071	0.5
417.15158	0.8
429.17770	0.4
435.16388	2.7
453.11642	0.6
453.17493	9.1
471.18521	12.0
472.18756	0.6
489.19275	1.4
496.99039	0.4
536.51270	0.4
732.96643	0.4
866.40356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.9
66.04717	0.4
67.05495	18.9
67.05853	0.9
69.03415	7.5
69.07050	0.8
69.31282	0.7
69.31564	2.3
71.04974	1.5
73.02911	0.7
79.05477	2.9
81.03405	24.4
81.07042	11.0
83.04946	1.2
85.02907	4.9
88.53670	0.4
91.05463	4.5
93.07034	2.9
95.04944	5.1
95.08591	7.0
97.02875	6.1
97.06531	0.7
98.22681	0.9
99.04443	4.1
99.08077	0.5
103.05457	0.7
105.07005	1.1
107.05002	0.5
107.08580	2.2
109.02860	18.6
109.06528	2.2
109.10138	49.4
110.10436	0.8
111.04434	2.0
112.49843	0.4
115.05428	0.6
117.07008	0.9
119.04916	1.7
119.08568	3.2
121.06529	0.5
121.10100	0.5
122.03650	0.7
123.04421	0.6
125.02366	0.6
125.05971	2.4
127.03896	16.7
127.07616	0.4
129.06969	1.7
131.04889	1.4
133.17445	0.4
135.08047	1.1
137.05974	14.4
137.09590	100.0
138.09924	1.4
145.04900	0.5
147.04398	0.5
147.08028	1.4
149.05969	1.9
151.03854	1.6
151.06325	0.7
151.07520	9.6
155.10657	6.3
157.06467	1.1
161.05951	2.5
161.09488	0.6
163.03868	0.6
163.07552	5.6
165.09088	68.3
166.09438	1.6
167.08517	0.8
169.06474	0.5
174.06708	0.6
175.03772	0.6
175.07510	2.0
177.09058	6.0
183.10136	5.0
189.09085	3.8
193.10054	0.7
195.07982	1.7
195.09825	0.5
199.07457	0.5
201.09283	0.7
201.11179	9.7
205.04863	0.5
207.10075	0.9
211.07503	0.4
215.06918	0.4
217.04881	0.9
219.10049	0.8
219.12068	0.4
221.05858	0.9
221.09674	0.7
221.11662	1.0
222.10083	0.5
223.07480	1.0
225.09120	0.9
225.11201	1.2
227.10641	2.8
235.05838	1.0
243.12279	0.6
249.08974	0.6
250.06316	0.4
253.12206	1.1
255.10068	2.8
255.12364	0.7
264.07675	0.5
265.08517	0.6
266.84140	0.4
267.10062	1.0
269.07953	0.8
273.11111	0.5
278.09332	0.5
279.09998	0.6
281.11478	0.8
285.11035	2.3
286.75742	0.5
287.12759	4.3
291.12344	2.7
293.11536	0.6
297.10785	0.7
297.13699	0.8
299.12558	0.5
309.13342	11.5
311.12701	1.5
313.14355	4.6
321.10974	0.6
323.12872	1.0
325.14075	0.6
327.14334	17.8
331.15335	24.0
332.15771	0.7
333.11325	0.5
335.12573	0.5
341.13794	0.8
343.15466	4.9
345.15305	0.9
353.13773	0.8
355.15091	1.8
365.13348	0.5
367.15161	1.6
369.15390	3.0
379.15045	0.6
385.16357	2.0
387.16150	0.7
397.16132	1.4
399.16364	1.1
403.15280	1.2
409.16632	0.6
419.14584	0.5
421.16473	6.2
429.17648	0.8
433.15848	0.5
435.16376	2.7
435.31973	0.5
439.17352	1.2
441.17255	1.1
453.17542	10.0
454.17154	0.6
457.17639	0.6
459.18378	1.4
471.18564	12.1
487.17465	1.0
489.19659	2.8
519.60516	0.5
529.17981	0.5
588.50183	0.4
729.28448	0.6
738.47266	0.4
747.29150	1.3
765.30798	2.8
783.31512	1.2
801.32617	0.8
867.34174	0.4
872.91266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.2
66.15034	0.4
67.01850	0.9
67.05502	0.5
68.99776	6.1
77.03921	1.0
79.05484	1.4
81.03394	3.5
85.02920	0.9
89.03886	2.1
91.05425	0.8
93.03384	2.3
95.04964	2.0
99.04437	1.4
103.05424	0.9
105.03374	1.1
105.04494	0.5
107.04940	3.9
109.02855	3.6
111.00774	3.1
111.04422	9.9
111.05162	0.7
115.05428	0.8
116.08471	0.4
117.03361	1.7
119.04922	1.6
119.28042	0.3
121.02845	1.2
123.04404	55.9
124.04733	0.6
127.03887	100.0
128.04231	1.1
129.06978	0.6
131.04886	3.2
133.06462	0.4
135.04387	50.9
136.04724	0.4
137.02290	3.9
137.05972	0.4
139.03873	44.8
140.02661	0.3
140.04160	0.6
141.06946	0.8
143.04898	0.9
145.02774	0.6
145.06421	1.1
147.04364	5.6
149.02316	6.4
149.05939	2.4
150.02943	0.5
151.03874	15.5
153.01785	0.4
153.06989	0.4
155.04855	1.9
157.06435	1.0
159.04370	4.2
161.02231	0.5
161.05943	3.3
163.03865	40.6
164.04439	0.4
165.01723	0.5
165.05453	5.1
167.03387	6.0
169.06383	1.9
171.04453	0.6
173.05957	5.0
175.03882	1.8
175.07491	0.8
177.01788	0.4
177.05428	4.2
179.03357	4.6
181.04932	2.4
181.06372	0.6
181.24002	0.3
183.04430	1.9
185.05864	1.8
187.03809	6.4
187.07506	0.7
189.05441	2.5
191.03329	7.8
191.07021	0.5
193.04886	3.6
197.05930	4.4
201.05424	8.3
203.03336	7.2
203.07002	2.4
204.03929	0.4
205.04922	3.1
207.02983	0.5
207.06479	1.4
213.05444	3.0
215.03386	1.6
215.06961	2.9
217.04930	2.1
219.06497	1.0
221.04427	0.5
223.02313	0.8
225.05405	2.2
227.03236	0.5
227.06854	0.6
229.04913	8.6
230.05392	0.7
231.06441	3.6
233.04356	3.8
237.05377	0.7
241.04878	2.6
243.06499	5.8
245.04401	8.7
247.05959	29.1
248.06337	0.6
251.05305	0.5
253.04779	1.9
255.06380	2.0
257.04404	15.9
257.07141	0.7
258.05057	1.4
259.05954	9.2
261.07532	4.3
265.04929	0.6
267.06674	0.4
269.04382	4.9
270.04971	0.6
271.05939	22.6
272.06210	0.5
273.07480	1.6
275.05426	10.4
275.87918	0.4
281.04340	2.2
283.05927	4.5
285.07510	1.0
287.05429	16.2
288.05795	0.6
289.07004	34.4
290.07239	0.8
291.08603	15.1
295.05893	1.2
297.03589	0.5
299.05438	7.6
301.07019	11.6
303.08682	3.4
307.05740	0.8
309.03909	5.0
311.05408	1.7
313.07034	1.2
317.06503	0.6
323.05246	0.8
325.06781	1.0
329.06479	1.1
331.08191	0.6
333.09805	2.0
335.05414	0.5
339.04727	0.5
343.08072	1.2
345.07629	0.4
351.04886	0.9
367.08148	0.4
375.04648	0.6
376.05423	0.6
377.06473	1.3
379.07791	1.2
383.07391	0.8
391.08026	1.3
393.06070	3.7
395.07419	0.4
397.08960	0.6
401.06180	0.7
405.05692	2.4
407.07623	3.0
409.09085	26.2
410.09549	0.7
411.10623	3.8
419.07425	2.1
421.09134	2.5
423.10898	0.6
425.08401	1.1
427.10178	18.0
428.10287	0.6
431.07578	0.6
433.09003	0.9
435.10828	2.4
437.08362	1.7
439.10168	3.6
449.08289	1.3
451.10226	2.9
453.11713	4.4
463.10336	0.6
469.11005	1.8
527.09503	2.3
529.10760	0.4
545.10754	6.3
546.11255	0.4
553.10480	0.6
557.10876	0.7
561.13879	1.7
571.11804	1.4
579.14722	6.3
589.12799	0.6
679.14386	0.5
697.14630	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84391	0.6
65.03928	2.0
67.05488	0.8
68.99422	0.9
68.99776	9.2
70.71080	1.1
77.03905	0.9
79.05474	1.4
81.03404	3.1
85.02887	1.0
89.03896	2.4
91.05447	1.5
93.03399	2.3
95.04949	2.4
99.04415	1.2
103.05469	1.0
105.03400	1.1
107.04948	4.1
109.02866	2.3
111.00803	10.7
111.04426	8.3
117.03362	2.1
119.04922	2.4
121.02842	1.9
123.04411	62.6
124.04746	0.9
127.03896	57.2
131.04892	2.5
133.06500	1.0
135.04393	56.9
136.04733	1.3
137.02338	5.2
137.05989	1.3
139.03877	40.6
145.02869	1.0
145.06471	1.2
146.58226	0.7
147.04370	7.2
149.02321	8.9
149.05977	2.2
151.03879	13.5
153.05461	0.7
155.04887	0.8
157.06447	0.9
159.04411	3.6
161.05959	4.4
163.03880	48.6
165.01810	1.0
165.05428	4.4
167.03400	3.9
167.04652	0.7
169.05023	1.5
169.06367	1.0
173.05980	4.8
175.03874	2.9
177.01913	0.7
177.05453	6.9
179.03343	6.8
181.04893	2.1
181.06401	1.2
182.83302	0.6
183.04346	2.8
184.83202	0.7
185.05945	2.3
186.85713	0.7
187.03824	6.9
189.05432	3.5
190.02518	0.8
191.03374	12.1
193.04915	2.0
197.05916	3.0
199.03804	0.9
201.05434	8.3
203.03348	12.5
203.06996	1.6
205.01199	1.0
205.04936	2.4
211.03865	0.7
213.05405	3.0
215.03419	4.3
215.06996	2.2
217.04898	3.8
218.37976	0.8
219.06407	1.0
223.02271	2.1
225.05431	1.8
227.07019	0.8
229.04907	11.5
230.05411	0.9
231.06422	3.6
233.04341	3.9
235.02261	1.4
241.04817	2.4
243.03014	1.1
243.06461	2.8
244.03732	1.1
245.04417	100.0
246.04729	3.1
247.05968	49.5
248.06317	1.3
253.04893	1.9
255.06493	1.8
257.04434	13.0
258.05118	1.3
259.05975	9.2
261.07599	3.2
263.05472	1.5
265.04883	0.9
267.06424	1.0
269.04370	5.1
271.05933	15.8
272.56842	0.7
273.07452	1.5
274.04666	3.7
275.05432	26.2
279.06546	1.0
281.04318	2.2
283.05969	6.7
285.03937	2.4
285.07193	1.0
286.04617	1.3
287.05417	16.7
289.07001	27.8
290.07379	1.8
291.08585	10.5
295.05966	2.6
297.03796	2.2
297.07086	0.7
299.05383	3.4
301.07016	12.4
303.05054	1.8
303.08630	1.8
307.06012	1.3
309.03979	1.3
313.07095	1.1
319.06000	0.9
323.05377	2.8
331.08441	0.9
349.06454	0.8
351.04886	2.6
361.06906	2.6
365.06381	1.9
377.06409	1.3
379.07880	2.1
383.07599	2.6
389.06476	2.4
391.08047	2.2
393.06042	3.9
395.07529	1.1
396.08417	1.2
397.09116	12.4
405.05804	0.9
407.07559	37.2
408.07803	1.3
409.09125	19.7
411.10657	1.9
419.07404	5.8
421.08966	1.4
425.08578	8.7
427.10181	13.4
431.07669	1.1
433.08939	2.5
435.10706	0.9
437.08569	13.3
438.08884	0.8
439.10040	1.5
449.08435	3.3
451.10147	3.2
453.11548	1.7
517.11163	1.4
527.09625	1.2
535.11993	2.8
541.10706	1.3
545.10529	5.4
559.12421	1.1
561.13147	0.7
571.12421	1.1
579.14966	3.4
697.14771	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	867.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.1
67.01850	1.2
67.05502	0.7
68.99775	10.2
69.18032	1.2
69.18439	2.2
77.03905	1.4
79.05477	1.2
81.03410	3.6
83.04996	1.3
85.02885	1.3
89.03922	2.5
89.61700	0.6
91.05448	1.0
93.03365	1.4
95.04933	2.8
99.04440	1.2
103.05416	0.6
105.03384	1.8
107.04942	6.0
109.02877	3.4
111.00789	9.0
111.04419	5.1
115.05463	1.7
117.03352	1.7
119.04906	2.0
119.95691	0.5
121.02854	1.8
123.04413	59.5
124.04748	0.7
127.03896	83.0
129.06987	0.9
131.04919	3.0
135.04393	56.4
136.04655	1.1
137.02362	5.1
137.05960	0.7
139.03880	35.7
141.07008	0.8
143.04912	0.9
145.02859	0.8
145.06461	1.0
147.04362	7.0
149.02332	8.5
149.05971	2.6
150.03023	0.7
150.74413	0.7
151.03880	12.2
153.01772	1.0
153.07016	1.0
155.04929	1.0
157.06430	1.0
159.04359	4.2
161.02373	0.8
161.05968	4.1
163.03879	56.7
164.04250	1.4
165.01839	1.4
165.05469	4.7
167.03395	5.2
167.04700	1.0
167.73482	0.6
169.04977	3.3
169.06427	1.8
173.05939	4.0
175.03848	3.2
176.04718	1.2
177.05421	7.6
179.03368	7.3
181.04889	2.3
181.06438	1.6
183.04398	2.3
185.05952	2.1
187.03854	7.8
187.07492	1.1
189.01784	1.1
189.05438	4.2
191.03357	11.9
193.04915	1.7
197.05945	2.7
199.03889	0.9
201.05444	8.7
203.03355	12.6
203.05252	0.7
203.06987	1.9
205.04921	2.9
207.02782	1.0
207.06387	0.7
209.05957	0.9
213.05415	3.6
215.03372	3.6
215.06880	3.2
216.04079	1.2
217.04944	3.8
219.06401	0.9
221.04306	1.2
223.02322	2.4
225.05461	2.6
227.03380	1.2
227.06947	1.6
229.04898	12.0
231.02817	0.9
231.06505	1.9
233.04388	5.7
235.02339	0.7
237.05405	1.9
239.06984	0.7
241.04926	2.3
242.05852	0.7
243.02904	1.4
243.06496	3.8
243.39397	0.6
244.03624	1.0
245.04413	100.0
246.04832	3.1
247.05978	53.6
248.06372	1.7
253.04742	3.0
255.06435	3.0
257.04379	14.9
258.05136	1.4
259.05960	9.1
261.07431	2.1
263.05341	1.5
265.04837	0.8
267.06390	0.6
269.04355	3.7
270.05151	1.7
271.05960	23.5
272.06393	1.0
273.03958	0.8
273.07532	1.2
274.04691	5.7
274.61053	0.7
275.05441	27.3
276.05798	1.2
277.04752	0.7
279.06427	0.9
281.04373	2.5
283.05966	10.8
284.06674	0.6
285.03857	2.6
285.07391	1.3
286.04626	1.7
287.05408	19.1
289.07007	25.5
290.07434	1.3
291.08643	11.5
293.04343	1.0
295.06036	3.5
297.03888	1.8
297.07248	1.0
299.05469	5.2
301.07068	10.3
303.04984	1.6
303.08469	1.1
307.05936	0.8
309.03900	1.7
311.05383	1.7
313.06955	2.1
315.05328	0.8
323.05432	2.0
329.06332	0.9
331.08063	2.3
333.07465	0.8
345.07596	0.7
349.07016	1.1
351.05032	2.8
361.06870	2.7
363.08542	1.1
365.06601	1.6
377.06458	1.8
379.07953	3.4
383.07407	2.3
389.06500	3.1
391.08041	2.7
393.05936	4.1
395.07687	1.7
396.08188	1.7
397.09158	11.5
401.06073	0.9
403.08063	1.0
405.05673	3.0
407.07553	33.6
408.07767	1.5
409.09131	20.9
411.10553	3.0
419.07611	6.4
421.09073	1.8
425.08545	8.9
427.10284	8.4
431.07483	1.1
433.09378	3.0
435.10928	0.7
437.08591	12.3
438.08859	0.7
439.09729	1.1
449.08487	4.2
451.10242	4.0
453.11551	1.0
507.05414	0.7
517.10815	2.0
527.09320	2.9
535.12335	1.0
541.11212	1.9
545.10767	5.3
557.10345	1.6
559.11993	1.4
571.11591	1.2
577.13263	0.9
579.15149	3.4
644.02563	0.7
679.14038	1.2
686.55396	0.8
697.15039	2.9
715.16003	0.9
745.26471	0.8
788.75970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67984	0.7
64.11022	0.8
70.01102	0.9
70.01439	1.7
77.61467	0.6
84.50220	0.7
98.97617	0.7
115.03996	1.1
116.98597	1.0
177.00764	1.0
219.01851	1.6
234.15965	0.8
237.02936	2.5
267.33499	0.8
286.12442	0.9
315.03842	1.1
333.05048	1.9
375.06076	2.4
408.99838	0.8
435.08536	1.5
513.54681	0.9
591.12201	0.9
867.21509	100.0
868.21771	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	868.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	5.7
63.70274	1.1
67.05504	5.3
69.03426	2.3
70.48174	0.9
70.76257	1.1
71.01322	1.0
71.66903	1.0
73.02914	2.6
75.12500	1.3
79.05081	1.1
79.05496	4.3
81.03392	1.5
81.07066	4.6
85.02907	4.6
86.09676	1.4
91.05483	2.9
93.07037	4.1
95.08626	3.6
97.02897	3.6
98.23450	1.9
101.02394	1.3
104.10739	2.0
105.07000	2.1
107.08615	1.6
107.38336	1.0
119.08591	1.5
120.72125	1.3
121.10124	1.3
131.78220	1.3
144.08087	2.3
207.58009	1.3
243.08401	2.0
252.95258	1.1
301.09137	2.1
307.22849	1.7
368.37601	1.3
382.16364	3.7
400.17389	9.1
491.25937	6.3
593.72345	1.2
619.08795	1.3
717.38593	1.7
863.61627	1.4
868.44336	100.0
869.44159	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	869.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65226	0.4
69.99882	1.4
70.94798	0.5
85.93408	0.4
96.37829	0.4
97.50655	0.4
98.23365	0.5
115.03958	1.0
119.93371	0.4
155.03151	0.7
169.04675	0.5
173.03017	1.2
299.07150	1.5
317.08173	3.5
369.14749	0.5
385.10968	0.6
413.10641	0.6
431.11533	12.5
461.12598	2.5
575.15692	3.2
593.16614	5.7
707.19922	8.6
708.20435	0.8
737.21411	3.4
869.25153	100.0
870.25507	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	869.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.8
79.05486	1.4
81.03417	0.6
81.07055	1.5
91.05478	1.3
92.01225	0.7
93.07036	1.3
95.08553	0.9
98.23554	1.3
105.07013	0.8
107.08612	0.8
120.62130	0.6
131.08633	0.8
207.09027	0.7
209.10757	0.9
210.11353	0.9
221.20609	0.7
225.13904	1.4
226.14713	1.2
237.10242	0.7
237.14020	0.8
239.15434	0.9
247.12344	1.1
249.13840	1.5
257.78897	0.7
261.13760	0.7
268.59473	0.7
326.93851	0.6
427.19312	1.1
429.21017	0.8
441.21027	1.9
443.22601	0.9
444.23425	0.8
455.18158	1.4
457.24307	1.5
458.20685	0.7
459.22043	1.0
469.19717	3.2
470.21002	2.4
471.21848	2.4
479.19241	0.7
481.20544	1.0
483.21906	2.9
484.22565	2.6
485.23608	3.9
486.24310	0.8
487.24820	2.4
497.23898	2.0
497.77136	0.7
499.24899	1.4
512.22095	1.1
525.22156	1.2
527.24280	2.3
528.21759	1.1
541.26318	0.9
543.24048	1.4
544.24225	0.9
545.25366	1.3
553.23059	0.9
555.24719	1.1
557.25159	3.0
571.27551	3.7
572.27582	1.5
573.28790	1.1
585.24500	1.2
587.26691	1.9
592.47583	0.7
599.26563	2.8
617.27612	1.0
622.29340	2.0
627.25684	1.0
631.29077	1.8
643.25854	0.8
659.28845	0.8
809.32062	5.3
825.34808	3.7
837.31244	1.4
869.33661	100.0
870.34222	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	871.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.7
69.03400	0.6
70.06597	0.7
70.27811	0.7
79.05502	0.4
80.81139	0.4
81.03400	0.6
81.07055	1.2
85.02913	0.5
91.05481	0.4
97.02876	0.5
99.57635	0.4
103.05470	0.7
105.07043	0.6
111.08099	1.4
129.06996	0.5
131.04958	1.3
134.74419	0.4
137.05957	2.0
138.21608	0.5
145.08629	0.9
148.23366	0.4
161.06018	0.5
163.07538	0.6
169.12259	0.6
189.09195	0.6
198.40166	0.4
219.10147	0.9
258.40689	0.4
287.12854	0.5
332.15735	0.6
367.13641	0.7
552.23016	0.4
697.28375	1.0
709.28284	0.5
713.27417	0.6
720.51410	0.5
727.29089	2.2
841.32117	0.8
871.33331	100.0
872.33826	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	872.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	0.2
65.03925	0.2
67.05499	0.9
69.03418	2.1
69.06334	0.2
71.04980	34.4
73.02893	0.3
81.03406	2.8
81.07045	0.3
85.02891	2.1
85.06531	5.8
85.07051	0.3
91.05444	0.2
94.04160	0.4
95.04968	1.1
97.02876	3.2
97.12716	0.2
98.23532	0.3
99.04445	0.8
103.05442	0.2
103.07545	0.3
107.04952	0.2
108.04459	0.6
109.02855	2.9
109.06448	0.2
113.05988	5.9
115.05412	0.9
117.07048	0.4
122.03627	0.8
127.03901	3.0
127.07533	17.4
128.06160	0.2
128.07881	0.3
129.06984	0.9
131.04921	0.6
131.07021	8.5
137.05952	16.0
141.05429	0.4
143.04904	2.1
144.05644	0.4
145.08572	100.0
146.08904	1.4
147.14407	0.2
151.03897	0.2
151.07576	0.3
153.05396	0.3
155.07007	0.8
157.06471	0.8
160.05177	3.2
161.05923	0.5
163.07549	0.4
172.05199	0.6
173.08078	3.0
174.06731	0.6
175.07521	16.0
176.07811	0.2
185.08072	0.5
187.06024	0.4
187.07507	6.5
189.09093	1.5
191.09106	11.5
192.09491	0.3
199.07454	0.4
201.09169	0.2
203.08585	0.3
205.08566	2.5
211.07500	0.3
217.08504	1.0
219.08099	0.4
231.07986	0.6
235.09615	3.5
239.06917	0.4
239.09106	0.4
245.10104	0.3
247.07594	0.2
248.08249	0.5
255.06418	0.2
257.10211	1.5
261.09082	0.2
263.10547	0.6
271.09595	1.0
275.11203	0.7
276.07666	0.3
279.10095	0.4
291.10138	1.4
296.10461	0.2
299.11362	1.5
309.11102	0.2
311.12653	0.7
317.12234	2.7
323.12766	1.8
325.14224	0.5
335.09421	0.3
335.13306	4.8
341.13788	3.3
357.13272	0.4
449.50653	0.2
583.01947	0.2
618.96985	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	872.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38546	0.4
62.46008	0.4
67.05479	1.1
69.03403	2.3
69.17532	0.4
70.56978	0.8
71.04982	33.9
81.03398	2.6
85.02887	2.4
85.06528	5.9
87.33898	0.3
91.05451	0.4
94.04134	0.6
95.04955	1.2
95.44593	0.4
96.73364	0.4
97.02859	3.0
99.04432	0.6
103.07580	0.6
105.07019	0.7
109.02866	2.7
109.06488	0.4
113.05984	5.1
115.05450	1.2
117.06967	0.9
122.03629	0.7
125.30067	0.4
127.03887	2.5
127.07532	17.6
129.06999	1.3
131.04948	0.5
131.07021	8.5
137.05954	23.7
138.06302	0.5
141.05443	0.5
143.04887	2.0
144.05675	0.5
145.04900	1.7
145.08572	100.0
146.08900	1.6
151.03874	1.1
151.07471	0.7
153.05524	0.6
155.07037	0.8
157.06435	1.0
160.05156	4.2
161.05922	1.1
163.07506	0.6
172.05217	0.6
173.08078	3.3
174.06702	0.7
175.07518	18.2
185.08127	0.6
187.05978	0.7
187.07491	7.9
189.09094	1.1
191.09106	11.0
203.08601	0.6
205.08562	3.2
211.07574	0.5
217.08551	1.3
219.08015	1.3
231.08022	0.7
235.09583	4.6
251.10710	1.3
257.10153	1.9
271.09689	0.9
275.11179	0.8
279.09998	0.8
291.10129	1.6
299.11130	1.6
311.12595	3.1
317.12234	3.1
323.12772	3.2
335.13336	4.9
341.13803	3.4
357.13263	0.5
674.46008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.4
67.05490	21.0
69.03403	2.5
69.07066	5.7
79.05482	18.0
81.03423	4.1
81.07049	18.2
83.08597	2.7
84.04495	3.2
85.02927	2.3
91.03967	2.6
91.05470	12.5
93.07032	13.5
95.04983	6.3
95.08595	14.1
96.04491	1.7
97.02882	4.1
97.06531	2.0
97.10139	1.5
100.06136	1.5
105.07029	8.4
106.06548	9.8
107.04977	3.9
107.08582	8.2
109.06503	1.5
109.10159	5.6
115.05412	1.7
117.06991	3.2
119.08585	5.4
121.10160	6.2
122.06029	3.3
128.06203	2.8
129.07005	5.6
130.05026	4.7
131.08603	5.4
133.06511	1.6
133.10156	4.5
134.05968	9.2
135.04462	2.3
135.08051	1.3
135.11697	2.3
141.05997	1.5
141.07007	6.1
143.08534	6.3
145.06476	4.6
145.10141	4.2
146.06012	5.1
147.07726	4.4
147.11705	2.3
148.06165	1.7
149.09656	2.6
152.07082	4.2
153.07098	1.9
155.08598	5.0
157.06526	2.9
157.10132	2.8
159.07991	2.6
165.06958	1.7
167.08636	5.4
169.06485	1.9
169.10126	2.7
171.08092	4.0
171.11696	2.2
179.08598	2.9
181.10190	2.2
183.08107	6.2
183.11784	1.5
185.09644	1.7
195.08064	1.8
207.08122	2.4
247.11215	1.3
267.15765	1.8
269.17529	1.7
286.17929	1.6
312.19595	2.0
313.18494	1.7
323.16425	3.2
330.20795	2.2
335.25793	7.1
336.26389	2.0
340.19095	2.5
358.20068	21.9
376.21191	2.4
414.22473	1.9
432.23761	5.4
450.24994	4.0
683.18201	1.5
704.42303	1.7
710.46069	41.8
711.46387	2.2
872.51324	100.0
873.52368	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	874.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81551	0.5
61.02910	1.2
67.05502	0.5
69.03419	15.9
69.37387	2.5
71.01340	0.9
71.04975	1.3
73.02898	1.6
78.04684	0.5
79.05475	1.4
81.03404	7.3
81.07070	0.9
83.04968	0.6
85.02891	100.0
86.03217	1.0
86.06084	1.0
87.04462	2.6
91.05476	1.2
94.04180	0.5
95.04977	1.4
96.04465	3.1
97.02879	30.3
98.22738	0.8
99.04443	16.8
99.05070	1.0
103.03927	42.4
105.07045	0.6
107.04918	3.3
109.02866	7.8
109.10149	1.2
114.05491	2.4
115.03916	23.1
115.05360	2.5
117.05479	5.9
117.06982	6.7
119.04930	1.4
121.06488	0.8
123.04411	1.5
124.05193	0.8
127.03894	38.2
129.06963	1.1
131.04958	0.7
131.08557	0.9
132.06590	0.8
133.04977	0.9
133.06485	1.0
137.05952	6.0
137.09595	3.3
143.04889	0.5
144.05676	1.3
145.04955	21.4
145.06468	12.7
147.04439	2.4
149.05927	0.6
151.03877	1.1
151.07397	0.6
155.05984	2.8
156.05656	3.0
157.04958	5.5
157.06448	1.5
159.08049	2.1
161.05949	1.4
162.07674	0.5
163.05992	32.5
165.09100	2.5
167.07016	18.4
169.04904	0.6
173.05960	26.0
175.06009	15.8
175.07475	2.2
177.05440	0.9
179.07074	1.4
180.08595	0.5
181.04953	1.2
184.05222	0.8
187.07521	2.1
190.06242	14.2
191.07005	0.6
193.04968	1.7
193.08614	1.0
195.06552	0.7
202.06271	2.0
203.07062	2.7
205.08575	37.3
206.08971	0.7
207.06557	0.7
217.08563	17.1
218.09126	1.0
219.08192	0.8
219.10182	1.8
223.06059	0.8
223.09604	1.2
229.07004	11.1
229.09059	0.6
231.08084	0.5
235.09607	11.9
241.06924	2.3
247.09660	3.1
248.08237	0.6
249.11159	1.3
259.08139	2.2
265.10666	18.6
269.08127	0.8
271.09756	0.9
276.10764	1.1
277.09143	35.4
278.09607	1.1
279.10101	0.6
291.10172	0.7
307.09808	1.4
308.10477	0.6
309.13342	0.6
315.08688	1.4
321.11374	0.6
323.12622	1.0
327.14288	0.7
330.10876	3.8
331.11774	1.4
339.12082	0.8
343.11917	0.8
351.12219	1.4
368.12488	0.7
371.14810	1.9
383.14807	5.3
401.15842	7.5
471.18546	1.1
497.17822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	0.2
67.05497	1.1
69.03419	2.6
70.06578	0.6
71.04981	35.4
72.08131	0.3
73.02917	0.5
80.55486	0.3
81.03402	3.2
85.02885	4.2
85.06530	6.0
85.07052	0.4
86.81180	0.3
91.05476	1.0
91.27939	0.2
95.04949	2.0
95.08596	0.3
97.02878	3.5
99.04442	1.2
103.05452	0.6
103.07572	0.4
105.03405	0.4
105.06992	0.6
107.04929	0.4
108.04498	0.6
109.02867	3.3
109.10197	0.3
111.76571	0.3
113.05988	6.2
115.03894	0.5
115.05465	0.8
122.03627	0.5
127.03888	4.6
127.07536	17.6
128.06201	0.9
128.07814	0.3
129.07010	3.9
130.07762	0.3
131.04929	1.2
131.07021	9.8
131.08517	3.2
133.04979	0.4
135.04362	0.3
137.05949	5.8
141.05438	0.8
141.06979	2.3
143.04884	0.3
143.08571	0.5
143.27040	0.3
144.05690	0.5
145.04915	1.5
145.08572	100.0
146.08904	0.9
147.04359	0.4
151.03929	0.4
151.07516	1.7
155.07028	1.2
156.65897	0.3
157.06461	3.4
158.07245	1.6
159.08029	3.0
160.05148	0.7
161.05994	0.5
163.03922	0.4
163.07500	1.0
169.06444	2.0
170.07155	0.6
171.08063	0.7
173.05971	0.3
173.08084	1.8
174.06735	6.6
175.07521	1.9
177.05595	0.3
177.09009	0.3
179.05469	0.3
186.06705	1.8
187.06035	0.4
187.07512	1.2
188.08299	0.8
189.09077	13.4
190.09337	0.5
191.07291	0.6
191.09113	10.6
191.10616	0.9
201.09077	5.2
203.10611	3.2
203.17873	0.3
207.10217	0.5
219.10130	48.6
220.10452	1.7
221.11603	0.4
233.10132	0.3
237.11185	0.7
257.10138	1.7
263.10797	0.4
275.11212	1.1
287.05502	2.5
291.10498	0.8
297.11179	0.3
299.11157	1.6
309.11035	0.3
317.12280	3.8
325.14331	1.4
333.11630	0.4
335.13278	6.1
341.13754	1.0
654.14996	0.3
874.30157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	1.7
69.03411	2.9
70.06596	1.5
71.04983	33.2
81.03414	2.1
83.84236	1.3
85.02880	4.4
85.06535	5.7
91.05479	4.2
95.04974	2.3
97.02893	2.6
103.05463	9.0
105.44711	1.5
107.04998	1.8
109.02914	1.9
113.05975	5.9
119.04909	4.0
121.06450	2.4
122.03634	2.8
127.03909	3.8
127.07531	20.4
129.06996	3.4
130.86938	1.5
131.04912	15.7
131.06992	8.4
133.06496	2.6
135.08012	2.3
137.05960	37.5
145.08577	85.7
146.08939	1.6
149.05980	4.1
151.07524	26.1
157.06505	2.3
161.05975	6.5
162.06670	2.8
163.07520	36.2
165.09024	2.3
167.08606	2.6
170.51480	1.4
173.08072	1.8
175.07419	7.0
177.09085	100.0
178.09404	2.6
189.09105	7.6
191.07454	1.3
191.09140	8.9
195.08058	4.9
195.10107	2.3
212.08319	1.9
221.05894	2.8
221.09601	3.4
221.11697	15.7
223.07399	1.4
225.08987	2.8
227.10631	8.3
253.08519	4.0
253.12151	3.6
255.10089	5.4
265.08640	3.7
269.08417	1.6
281.11710	1.7
285.11209	5.5
287.12787	11.4
299.12631	2.5
305.12332	2.1
311.12784	3.5
313.14114	7.9
317.12210	4.0
331.15366	47.7
335.13159	4.2
343.15442	12.4
378.79507	1.3
397.16229	2.1
420.04224	1.6
421.16309	3.3
439.17374	3.0
457.18741	2.2
874.31372	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	874.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62099	0.5
67.05490	1.5
69.03419	2.7
70.06570	0.5
71.04978	32.4
72.30334	0.5
73.02872	0.5
81.03397	2.5
84.84466	0.6
85.02874	4.2
85.06527	5.8
87.04487	0.5
91.05432	1.1
93.06997	0.7
95.04970	2.7
95.08520	0.7
97.02880	3.0
97.10108	0.6
98.22805	0.9
99.04430	0.7
105.03370	1.0
109.02862	3.5
113.05984	5.9
115.05438	1.0
119.08574	0.5
121.58005	0.5
127.03894	4.1
127.07531	15.5
128.06216	1.0
129.06969	4.1
131.04918	0.8
131.07013	9.7
131.08496	3.3
137.05952	6.6
141.05409	0.5
141.06958	2.3
145.04912	2.0
145.08568	100.0
146.08913	1.4
147.04387	0.6
151.07571	1.0
155.07022	1.1
157.06445	4.0
158.07205	1.3
159.07999	3.3
163.03889	1.1
163.07483	1.0
169.06435	1.2
170.07227	1.2
173.08069	2.0
174.06743	7.2
175.07516	1.7
177.09169	0.7
186.06712	1.2
187.07457	0.8
189.09064	12.6
191.07310	0.9
191.09108	11.7
191.10614	0.9
201.09058	5.5
203.10587	4.1
203.46031	0.5
219.10117	55.9
220.10445	1.2
228.51700	0.6
257.10159	2.1
267.08353	0.6
275.11157	1.6
287.05463	5.0
291.10507	0.7
295.75201	0.5
299.11346	1.2
309.11115	0.7
317.12329	3.7
325.14285	1.7
335.13330	6.8
341.13748	1.1
409.16327	0.5
522.97717	0.6
671.19647	0.6
700.66461	0.5
838.41003	1.2
874.30701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98061	3.3
61.02921	8.5
65.68514	3.3
67.05490	24.1
68.39622	3.8
69.03423	36.8
69.07050	8.6
70.01297	11.0
70.06580	5.0
71.04985	43.5
71.53005	3.9
73.02905	4.4
79.05470	16.6
81.03407	23.0
81.07031	23.6
83.08598	7.2
85.02895	89.3
85.06520	5.4
87.04433	5.6
91.03950	5.0
91.05450	15.1
91.63961	3.8
93.07034	16.9
95.04953	6.8
95.08593	27.1
97.02878	25.5
97.06512	4.5
98.22789	5.4
99.04449	8.4
105.07020	24.9
106.10440	3.6
107.08572	20.8
109.02854	16.7
109.06522	7.2
109.10151	36.4
113.05986	6.5
117.07005	5.7
119.04933	10.8
119.08555	17.6
121.06453	12.2
121.10130	20.3
123.11661	5.5
125.09618	4.5
127.03893	30.1
127.07555	18.6
129.06975	6.4
131.04881	5.8
131.07036	6.3
131.08551	11.5
133.06462	4.8
133.10092	10.4
135.08026	7.3
137.05960	28.9
137.09587	38.5
143.08519	9.3
145.04907	4.5
145.06480	6.9
145.08571	95.1
145.10107	11.1
146.08986	4.7
147.08072	5.1
147.11664	8.9
151.03873	4.0
151.07549	19.4
157.06499	5.0
157.10094	6.7
159.08080	6.5
159.11670	9.2
161.05925	7.1
161.09552	6.3
163.03955	9.6
163.07506	15.3
165.09065	26.2
169.10045	4.2
171.08064	5.8
171.11646	5.9
173.08206	5.2
173.09598	14.7
173.13197	5.2
175.11118	10.7
177.09108	9.4
178.04980	27.6
185.13260	5.4
187.11099	10.2
189.09166	7.7
191.09105	13.3
197.13292	6.2
201.12746	6.1
206.04472	54.1
207.11729	5.3
209.13220	5.2
213.12701	5.7
221.11549	4.7
225.12648	4.2
227.10670	4.8
227.14391	5.6
235.14665	4.7
239.12666	9.1
255.10240	5.9
261.14697	3.9
263.16464	9.4
273.38303	4.5
275.16455	3.8
295.16821	5.7
305.12433	6.1
313.14359	5.6
315.19440	6.6
327.14160	4.1
331.15335	47.2
335.13144	7.5
343.15445	7.7
401.17981	5.2
401.28305	7.3
419.29388	11.0
421.16125	9.4
437.30460	23.3
455.31369	43.5
497.32745	4.8
515.33600	87.7
515.41138	5.8
599.35657	6.3
617.36414	13.5
649.47882	4.3
677.27985	7.7
677.38776	100.0
678.38605	5.5
695.40027	6.6
820.11334	4.2
824.39490	12.5
874.29919	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	874.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	0.6
64.02959	0.4
65.03922	0.8
67.05492	14.5
69.03416	2.1
69.07051	3.2
69.63945	1.5
70.42272	0.4
71.04948	0.8
73.61457	0.4
77.03946	0.4
79.05476	13.6
80.37081	0.4
81.03395	2.4
81.07041	13.2
83.04978	1.3
83.08598	7.5
85.02888	1.6
85.06520	0.5
85.83933	0.4
91.03987	0.5
91.05472	6.0
93.07029	10.5
95.04955	2.3
95.08586	7.9
97.02866	1.7
97.06513	0.7
97.10148	14.0
103.05453	0.7
104.37119	0.4
105.04498	1.0
105.07002	3.3
106.06555	0.8
106.49055	0.4
107.04933	0.5
107.08572	9.5
109.02850	1.4
109.06490	0.8
109.10143	4.3
111.08056	0.9
115.05448	1.7
117.06999	7.3
119.08564	2.5
121.10114	3.8
123.11671	1.1
125.09613	12.1
127.03889	2.0
127.05406	1.2
128.06206	0.7
128.07492	0.4
129.07004	0.7
131.08585	2.1
132.08026	0.8
133.10103	1.5
134.09627	0.5
135.08028	1.5
135.11664	2.3
142.06503	0.7
143.07271	6.9
143.08359	0.8
143.10634	0.8
144.08055	100.0
145.06477	5.2
145.08371	1.5
145.10104	1.7
146.98564	0.5
147.11636	1.3
149.13232	1.3
153.09160	0.9
155.06010	6.4
156.08061	1.5
159.11603	0.7
160.07469	0.6
161.13248	0.6
162.09158	0.6
163.14775	0.6
168.08002	0.5
170.05998	3.2
171.10120	0.9
172.07538	92.9
173.07980	2.3
173.13220	0.8
180.08092	1.0
182.06018	0.8
187.14799	0.7
188.07010	1.0
189.11186	11.6
190.08594	32.2
191.08821	0.5
194.09650	0.7
196.03902	0.7
196.07567	2.6
197.08296	0.5
198.05441	1.4
198.09274	0.5
208.07565	4.5
209.08255	0.8
210.09131	1.7
222.09106	0.9
224.07051	1.2
227.12735	17.2
238.96942	0.5
243.21036	1.0
245.13800	6.9
250.15956	0.6
260.14105	1.0
261.22070	4.5
278.15329	4.5
288.13699	1.7
296.16223	0.6
306.14899	3.7
324.15860	17.5
324.19666	0.9
325.16415	0.5
335.25720	15.7
336.26169	0.6
342.16812	1.2
342.20718	0.4
360.17969	0.9
380.18396	0.9
389.17886	2.9
398.19470	3.8
431.31583	0.6
434.65457	0.4
459.80820	0.5
487.34421	0.5
498.17862	0.6
505.35065	5.2
506.35367	0.6
545.67041	0.4
649.38916	1.5
658.40839	6.5
659.41583	0.8
712.43384	1.4
874.49078	2.5
875.44904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	14.5
69.03419	1.8
69.07047	2.3
79.05477	11.3
81.03400	1.8
81.07043	12.9
83.04948	1.0
83.08611	7.1
84.58665	0.6
85.02887	1.6
91.05463	5.1
93.07026	8.4
95.04963	1.7
95.08591	6.2
97.02901	1.0
97.06517	0.9
97.10152	13.6
98.10509	0.6
105.07002	2.8
107.08578	8.2
109.02892	1.4
109.10161	4.1
115.05411	1.8
117.06998	6.6
119.08553	2.8
121.10135	2.4
123.11676	1.0
125.09615	10.6
127.03885	1.5
127.05350	1.2
131.08525	1.6
132.08113	0.9
133.10072	2.2
135.08038	1.7
135.11676	2.1
143.07275	5.9
144.08060	100.0
145.06467	5.1
145.08391	1.5
145.10074	1.3
147.11671	1.1
149.13231	1.1
153.09084	1.6
155.06010	6.1
156.08095	1.6
159.11684	1.0
161.13202	0.8
162.09091	1.5
166.71942	0.5
168.08057	0.9
170.05980	3.8
171.10210	1.0
172.07545	93.8
173.07870	2.4
173.13254	1.8
175.31804	0.6
180.08080	1.9
182.06001	1.5
182.09592	0.9
189.11192	10.3
190.08597	30.5
194.09558	1.4
196.03818	0.9
196.07523	3.9
198.05446	1.5
207.10545	0.6
208.07585	5.7
209.08310	1.0
210.09088	1.2
212.07292	0.7
214.05049	0.7
220.86356	0.6
222.09077	1.4
222.79225	0.7
224.07114	1.1
227.10593	1.3
227.12741	16.7
227.14980	0.9
236.27698	0.6
243.21013	1.1
245.13823	7.1
250.16022	0.8
252.88860	0.7
260.14297	0.7
261.22125	3.9
278.15411	6.8
288.13800	1.2
296.16458	5.8
306.14737	5.0
308.16068	0.7
324.15869	18.4
325.16110	0.7
335.25720	13.5
342.16702	1.0
370.20331	0.9
380.18542	1.3
388.21158	1.1
389.17953	2.7
398.19479	4.5
505.34656	2.2
630.40704	1.0
648.42462	1.0
649.39032	1.0
658.41101	6.1
712.43768	1.2
753.35150	0.7
874.48053	2.3
875.43597	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02821	2.6
65.03868	0.8
65.10751	0.5
67.05392	20.0
67.05795	3.4
69.03313	2.7
69.06954	5.1
71.04906	0.7
73.02791	1.5
73.03167	0.5
79.05369	19.2
79.05872	2.1
81.03289	2.0
81.06933	16.0
81.07442	1.5
83.04858	2.0
83.05306	0.6
83.08492	5.8
85.02778	3.1
85.06398	0.5
91.03828	1.1
91.05344	11.3
91.05973	1.0
93.06908	14.7
93.07545	1.1
95.04827	4.0
95.08467	10.5
97.02749	2.7
97.06435	0.6
97.10028	8.3
101.02221	0.5
103.05338	0.8
105.04366	1.2
105.07009	9.3
106.06406	5.9
107.04848	1.2
107.08445	11.8
109.06414	1.1
109.10007	4.6
111.07981	0.9
114.02425	0.5
115.05399	2.6
117.06998	12.1
118.06489	0.9
119.04812	1.1
119.08555	4.2
121.06366	0.9
121.10113	4.2
123.11553	1.5
124.11073	1.0
125.09615	7.7
127.03777	0.6
128.06067	0.8
129.06976	5.1
131.04861	0.6
131.08417	2.1
133.06482	3.8
133.09958	1.7
134.05989	8.8
135.04285	0.5
135.08041	3.2
135.11690	2.5
143.08382	0.7
144.07903	1.9
145.06465	15.7
145.09943	2.1
145.10976	0.6
146.05974	10.9
147.07881	1.3
147.11520	1.2
149.05797	2.2
149.13065	0.6
152.06903	2.2
153.08905	1.5
155.04700	0.5
155.05861	1.4
157.06363	1.0
157.10051	0.8
159.07899	1.7
159.11607	0.7
160.03784	0.8
160.07391	1.1
161.05832	1.7
161.13083	0.8
162.08984	1.8
163.07431	1.3
163.10931	0.9
167.08525	0.6
169.10013	0.7
170.11589	1.9
171.07858	0.9
172.07394	1.5
173.05962	9.7
173.13152	0.7
181.10066	0.6
182.78841	0.5
183.07950	1.0
184.07404	0.6
189.11038	2.3
190.08563	4.5
191.07031	6.4
195.07971	0.8
199.07475	0.7
208.09676	6.2
227.06792	1.8
227.12698	3.2
264.12177	0.6
269.15155	0.8
270.14713	1.1
296.16217	1.2
297.14597	1.8
314.17352	1.5
315.15775	0.6
316.15237	0.8
324.15811	0.9
325.13956	0.8
332.18298	1.5
332.42618	0.6
335.25732	8.1
336.25900	0.5
342.16971	4.8
360.17975	39.4
361.18076	1.6
378.19028	5.7
416.20529	1.8
434.21640	11.9
435.21671	0.8
452.22742	8.2
596.27124	0.9
612.46930	0.6
694.43103	2.9
712.44049	77.7
713.44379	5.5
781.32465	0.6
874.49280	100.0
875.49628	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	874.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	4.3
65.03934	2.0
67.05497	21.4
69.03429	2.6
69.07062	6.0
71.04985	1.3
73.02923	1.6
73.81760	0.8
79.05484	21.1
81.03412	0.9
81.07043	18.4
83.04986	1.3
83.08620	6.8
85.02902	2.2
91.03965	2.5
91.05474	11.8
93.07024	16.1
95.04986	2.5
95.08598	14.2
97.02892	2.9
97.06553	1.4
97.10158	9.4
101.02396	1.3
103.05474	1.4
105.04486	0.9
105.07013	9.7
106.06530	4.8
107.08581	10.0
109.10155	6.9
115.05479	3.5
117.06997	9.2
119.08585	5.9
121.10180	3.8
123.08102	1.2
123.11726	1.1
124.11196	1.3
125.09650	6.2
129.06976	5.3
131.08594	1.9
133.06496	3.4
133.10158	2.1
134.05997	8.6
135.08095	2.9
135.11736	2.9
144.08180	2.1
145.06476	13.9
145.07529	1.1
145.10164	3.1
146.05975	9.3
147.11752	0.9
149.05984	1.6
149.13283	1.2
152.07106	1.5
153.09088	1.2
155.06033	1.1
160.03880	1.2
161.13272	1.2
162.09204	1.1
165.30965	0.8
167.08760	0.8
170.11722	1.4
172.07588	1.6
173.05963	8.5
173.13338	1.3
183.08203	1.3
184.91331	1.1
189.11310	2.1
190.08548	4.3
191.06956	6.1
199.07722	1.0
208.09659	5.8
213.92879	0.9
227.06947	1.0
227.12852	2.0
232.96397	1.1
251.14207	1.2
269.15472	1.1
296.16467	1.2
297.15009	1.2
335.25742	7.7
342.17093	5.0
360.17987	30.9
360.22354	1.6
378.19308	2.7
416.20660	1.3
434.21747	8.1
452.22729	10.5
486.21457	1.0
597.13812	0.9
694.43097	2.0
712.44092	69.0
713.44812	3.8
814.29449	1.1
874.49323	100.0
875.49359	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	877.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86186	0.3
71.04972	0.4
75.19154	0.4
75.19589	0.4
102.57177	0.3
107.73344	0.3
114.55125	0.4
119.09021	0.4
125.02120	0.9
126.02909	0.5
137.05983	1.4
145.08603	0.6
145.32663	0.3
153.05190	0.5
156.34781	0.3
167.06956	0.4
168.07506	0.4
169.04745	1.1
179.07118	0.4
213.07289	3.9
255.08386	0.7
273.02618	0.3
278.53366	0.3
285.09372	2.0
292.89490	0.4
297.09622	0.6
309.09671	0.6
315.10532	0.8
341.12189	0.6
357.11502	4.5
421.14706	0.6
481.16647	2.3
543.18689	0.8
585.19824	0.4
655.23535	1.7
713.24127	1.3
715.25702	3.4
817.29230	1.0
877.30811	100.0
878.31067	8.7
911.15558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81506	0.6
71.04994	2.7
74.72614	0.5
85.06548	0.5
103.05481	0.9
113.05960	0.6
116.05444	0.6
125.02155	1.0
127.07548	1.4
133.06546	0.9
137.05954	6.3
138.06387	0.7
141.24246	0.6
145.02991	0.6
145.08578	8.3
146.08963	1.9
151.07561	1.1
153.05261	1.0
169.04741	1.3
175.07582	1.3
177.05539	0.8
178.16127	0.6
179.07040	1.3
187.07536	1.0
191.09219	1.2
203.83844	0.7
213.07297	3.1
224.78369	0.6
255.08557	1.8
285.09641	1.9
297.09607	0.8
331.15747	0.7
332.15765	0.7
341.12155	0.7
346.61542	0.7
357.11588	4.4
396.67993	0.7
481.16943	2.1
655.23492	1.4
713.24103	1.9
715.25897	3.7
747.24780	0.8
817.29010	0.7
877.30829	100.0
878.30872	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	879.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	0.4
69.35903	1.3
70.06570	0.4
85.02907	0.3
100.20409	0.4
107.08614	1.1
109.02789	0.5
124.90916	0.3
125.02107	0.5
129.98683	0.4
135.08116	1.1
137.06036	1.3
137.09496	0.4
145.08662	0.5
153.05232	0.8
163.03897	0.5
163.07591	0.8
169.04784	0.9
187.03914	0.4
213.07295	2.0
255.08508	0.9
256.08560	0.4
271.06229	0.4
274.29642	0.4
285.09637	1.1
299.10309	0.4
357.11340	2.6
358.12131	1.0
359.12183	0.6
421.14731	0.8
481.16718	0.7
515.19025	0.6
529.16394	0.4
544.18170	0.5
545.19800	3.8
546.20514	0.5
631.74500	0.6
706.14191	0.5
717.26617	1.4
741.30267	0.4
819.30042	0.9
879.31860	100.0
880.32312	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	883.2068
Annotation	Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
65.03929	2.1
68.99771	10.4
73.88632	0.8
77.03947	0.9
79.05474	1.2
81.03416	3.1
83.04976	1.0
84.45564	0.8
85.02869	1.0
89.03881	1.1
91.05493	0.9
93.03407	2.4
95.04956	2.7
105.03375	1.6
107.04946	3.7
109.02872	3.4
111.00789	9.6
111.04431	8.3
116.21342	0.8
119.04939	1.7
121.02869	2.2
123.04411	49.5
127.03889	62.6
131.04884	2.3
133.02840	2.5
135.04391	37.2
137.02321	4.2
137.05989	1.3
139.03873	63.7
145.06541	1.1
147.04378	8.7
149.02330	7.7
149.05920	1.5
150.03122	1.1
151.03885	30.3
153.01794	1.7
153.05505	1.1
155.03363	2.8
155.04890	1.3
159.04391	2.2
161.05962	3.0
163.03879	29.6
165.05475	5.3
167.03391	3.3
169.04979	2.8
169.06412	1.1
171.04399	1.5
173.05968	3.5
175.03831	5.7
177.05443	8.1
179.03363	29.7
181.04944	1.6
183.04385	1.7
185.05904	2.4
187.03859	2.9
189.05440	5.4
191.03368	13.7
193.04961	2.5
197.05951	2.2
199.03856	2.0
201.05453	7.7
203.03340	18.2
205.04953	2.7
207.06372	1.0
213.05455	4.8
215.03329	2.1
215.07031	2.1
217.04890	3.9
219.06427	1.5
221.04355	1.0
223.02330	3.5
225.05388	1.0
229.04893	10.9
231.02951	1.7
231.06403	5.1
233.04501	3.9
239.03072	1.0
241.04939	2.9
243.06497	2.3
245.04413	100.0
246.04739	2.0
247.05966	49.0
248.06462	0.9
251.05626	1.0
253.04828	2.3
257.04385	18.3
258.05106	1.9
259.05978	7.3
261.07541	3.8
263.05426	8.7
269.04547	5.2
271.05942	14.6
274.04755	1.3
275.05450	27.7
281.04391	2.1
283.06003	1.8
285.03952	2.4
287.05438	36.7
289.07004	16.7
291.08545	11.1
295.05954	1.4
297.03940	2.2
299.05438	11.5
301.07065	3.2
305.06561	11.7
309.03900	1.6
311.05411	2.2
313.06882	1.0
317.06497	11.9
329.06290	1.5
349.07047	1.9
351.05069	2.7
352.53314	0.9
361.07022	1.6
365.06369	1.0
377.06461	2.7
379.08185	1.3
381.05975	1.0
383.07837	1.2
389.06454	1.1
393.05899	4.4
395.07758	2.0
397.09235	8.4
405.06198	5.3
407.07526	8.0
409.09128	8.3
417.05893	1.5
419.07590	2.1
421.09174	1.2
423.07074	18.4
425.08551	11.2
427.10086	6.4
435.07028	2.9
437.08957	4.1
441.08179	7.3
443.09674	14.5
444.09888	1.1
449.08472	1.7
451.10016	1.8
453.08063	6.9
455.09647	1.3
465.08008	1.2
467.09598	1.1
469.11102	1.0
543.08655	1.2
545.10370	3.2
551.12152	0.9
557.10583	1.8
575.11469	1.4
595.14038	3.6
649.78052	1.0
656.56641	0.9
713.14124	1.4
731.15399	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.9
67.01875	1.0
67.05505	1.1
68.99782	8.3
69.56657	1.7
69.57047	1.7
73.35995	0.8
80.70939	0.8
81.03406	2.8
83.04974	1.6
85.02888	1.5
89.03886	1.6
91.05461	1.1
95.04957	2.3
99.69801	0.9
103.62120	0.9
105.03358	1.2
107.04951	3.0
109.02837	4.3
109.47926	0.8
111.00777	10.4
111.04432	3.6
117.03396	1.5
119.04910	2.5
121.02873	2.3
123.04411	39.2
127.03892	77.2
128.04224	1.0
131.04930	2.9
133.02861	1.5
135.04390	39.3
137.02307	3.2
137.05957	1.2
139.03871	60.0
145.02762	1.8
147.04381	9.2
149.02304	6.3
149.05922	1.4
150.03082	1.0
151.03877	21.8
153.05431	1.2
153.06798	1.0
155.03354	2.3
157.06467	1.7
159.04424	3.4
161.02350	1.1
161.05966	4.1
163.03877	45.4
165.01840	1.6
165.05431	5.2
167.03404	3.7
169.04939	2.7
171.04378	1.3
173.06007	2.8
175.03871	8.8
177.05409	6.3
179.03362	21.3
181.04988	1.8
181.06464	1.1
183.04466	1.9
185.06017	2.1
187.03798	4.7
187.07547	1.0
189.05447	4.0
191.03377	10.2
191.07008	0.9
193.04947	3.2
197.05963	3.1
199.03871	2.1
201.05481	6.5
203.03355	18.5
203.07034	1.7
205.04845	4.4
211.03938	1.1
213.05382	4.9
215.03389	3.5
215.06932	1.9
217.04956	5.4
219.06487	1.3
223.02376	2.8
225.05479	2.0
227.03354	1.4
229.04889	8.4
231.06468	2.3
233.04480	4.5
237.05434	1.2
241.04861	4.2
243.02913	1.3
243.06532	3.0
245.04413	100.0
246.04797	1.8
247.05991	30.5
253.04919	2.6
255.06491	2.1
257.04398	15.5
258.05130	1.4
259.05960	9.5
263.05441	19.1
265.05127	1.2
267.06448	1.0
269.04294	4.9
271.05963	17.7
273.03796	1.0
273.07578	2.0
274.04727	4.1
275.05435	24.2
277.07071	1.0
281.04395	2.2
283.05966	9.2
285.03848	2.8
285.07175	1.1
286.04831	1.3
287.05444	33.2
288.06180	1.2
289.07010	22.3
291.08643	7.5
295.06085	1.7
297.03726	1.3
299.05460	5.2
301.07013	10.5
303.05197	1.3
305.06424	6.4
307.08081	3.3
309.03806	1.3
311.05475	2.4
313.07169	1.8
323.05493	1.4
329.06293	1.3
331.08072	1.7
351.05014	1.9
352.74411	1.0
361.06992	3.0
365.06570	1.8
377.06488	1.5
379.08014	3.1
383.07565	2.7
389.06427	2.3
391.07782	1.8
393.05930	3.8
397.09088	3.7
405.05862	2.3
407.07553	35.6
409.09140	15.2
411.10617	2.4
413.08618	5.2
419.07452	7.3
421.08905	2.7
425.08582	13.5
427.10150	11.4
431.07675	2.6
433.09442	1.4
435.06671	1.1
437.08713	8.7
439.10403	1.7
443.09845	2.1
449.08560	7.0
451.10162	2.3
467.09781	1.8
527.10101	2.0
533.10468	1.2
543.09424	1.8
545.10327	5.1
551.11444	1.4
557.10474	1.9
561.10187	1.9
575.11652	0.9
579.14655	2.3
587.11151	1.4
695.14246	1.2
713.14294	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	883.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.8
67.01851	1.0
67.05508	1.3
68.99780	11.4
77.03905	1.0
79.05505	1.1
79.12368	0.8
81.03387	4.0
83.04967	1.4
85.02896	1.1
91.05469	1.1
93.03422	1.4
95.04971	3.3
105.03379	1.4
107.04942	4.4
109.02856	4.2
111.00787	12.3
111.04398	6.4
115.05437	1.1
117.03330	0.9
119.04914	2.5
121.02912	2.1
123.04411	56.0
127.03896	75.1
131.04922	2.0
133.02838	1.3
135.04396	25.1
135.40498	1.0
137.02351	2.2
137.05989	1.6
139.03882	56.0
143.04854	1.5
145.06505	1.0
147.04411	8.3
149.02318	6.5
149.05960	1.4
151.03886	33.5
153.05446	0.9
155.03377	3.2
155.04851	1.5
159.04402	2.8
161.02306	1.5
161.05991	3.7
163.03883	29.3
165.01718	0.9
165.05418	5.2
167.03403	1.9
169.04968	4.8
169.06340	1.8
171.04395	1.2
173.05946	3.2
175.03900	9.0
177.05450	9.2
179.03371	44.6
181.04915	2.4
181.06471	1.3
183.04445	3.3
185.06012	1.8
187.03862	4.1
189.05432	4.9
191.03371	12.0
193.04956	2.4
197.05974	3.3
199.03897	1.5
201.05455	7.7
203.03366	19.8
205.04907	1.7
209.05898	0.9
211.03864	0.9
213.05367	4.4
215.03391	1.9
215.07077	1.9
217.04913	4.8
219.06445	1.7
223.02274	2.9
225.05440	1.9
229.04916	10.9
230.05495	1.2
231.06523	2.8
233.04393	4.6
240.75470	0.8
241.04939	2.5
243.06586	2.5
245.04417	100.0
246.04787	3.0
247.05977	58.2
248.06369	1.3
253.04890	1.6
255.06381	1.8
257.04425	18.3
258.05139	1.2
259.05939	5.3
261.07379	1.0
263.05441	12.3
263.95483	0.9
265.04996	1.3
269.04404	6.6
271.05969	16.4
273.07440	1.3
275.05450	34.9
277.07010	1.7
281.04465	2.1
283.06003	2.8
285.04034	2.1
287.05441	48.4
288.05676	1.5
289.07068	12.5
291.08633	13.7
295.05994	1.1
297.03964	2.1
299.05463	14.7
301.06970	3.7
305.06570	16.3
309.03851	1.9
311.05481	2.4
313.07077	1.7
317.06458	10.0
321.03903	1.4
321.07550	2.3
323.05667	1.2
329.06363	1.8
339.04849	1.0
347.07611	2.4
349.06927	1.2
351.04950	2.0
373.06396	0.9
377.06552	2.9
379.07834	1.4
391.08093	1.2
393.05875	3.6
395.07458	2.5
397.04681	1.3
397.09210	11.5
402.46045	1.1
405.05991	6.6
407.07654	7.9
409.09189	8.2
419.07556	1.7
421.08829	1.7
423.07022	19.9
425.08618	16.3
425.13950	1.7
427.10208	5.2
435.06870	5.0
437.08490	3.3
441.08145	6.6
443.09607	8.4
449.08444	3.7
451.10022	2.6
453.07614	5.9
465.08267	1.6
467.09540	2.6
533.10504	1.9
545.10596	2.9
551.11957	1.4
557.10223	3.0
561.09802	1.2
575.11475	1.7
587.03290	1.1
587.11816	1.8
595.14246	4.3
697.15656	2.0
713.14069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
76.28065	0.6
80.32096	0.6
84.96017	0.7
85.13750	0.6
98.97567	20.1
107.48885	0.6
110.97572	1.9
115.03946	2.4
116.98598	9.3
127.00694	0.8
128.98615	1.7
134.99670	2.7
143.00166	1.3
145.01730	1.2
146.99716	2.1
152.98671	0.8
156.23518	0.6
158.99625	10.5
160.99876	0.7
161.01283	2.5
170.99626	8.9
173.01219	1.0
177.00702	10.3
189.00664	13.1
189.02200	1.0
194.99738	1.1
195.01743	1.4
201.00781	1.9
207.01738	3.7
213.00676	10.0
219.01712	15.8
231.01772	3.2
237.02760	15.4
255.01816	4.5
255.04105	1.0
257.03226	0.8
261.03143	0.9
279.04099	1.1
315.03781	9.5
329.05716	1.3
333.04865	24.9
351.05936	15.0
374.07828	0.8
375.05872	5.2
393.07187	1.7
435.08240	2.3
529.41846	0.7
591.12628	1.9
609.13171	9.1
627.13867	0.9
792.44238	0.7
885.22394	100.0
886.22351	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	887.2593
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
65.03917	0.9
69.03416	0.8
69.17248	0.6
69.17657	0.2
70.06570	0.1
71.04984	4.6
72.20557	0.1
75.04484	0.1
81.03408	2.3
83.04972	1.4
85.02895	5.5
90.02467	0.1
91.05466	7.4
97.02869	0.4
99.04414	0.3
105.03374	0.1
107.04938	0.3
109.02861	1.3
111.04446	0.9
119.04926	17.4
120.05241	0.1
121.02858	1.2
127.03915	0.6
129.05460	1.1
135.87283	0.1
137.02330	0.2
145.05075	0.1
147.04385	100.0
148.04744	1.4
153.01813	0.6
153.05473	0.2
165.01811	0.2
165.04054	0.3
165.05457	5.3
172.31729	0.1
183.02904	0.2
213.05501	0.2
231.06494	0.2
239.09116	0.2
241.04948	0.3
257.07986	0.2
258.05215	0.2
275.08942	0.6
287.05450	23.3
288.05698	0.5
291.08575	3.2
293.10202	0.3
299.05502	0.5
300.06424	0.1
309.09637	4.5
310.10150	0.1
311.05380	0.2
329.06616	1.1
336.03510	0.1
341.06390	0.1
353.06467	0.3
379.08072	0.2
384.94482	0.1
397.09073	0.7
415.10025	0.4
419.13324	0.3
433.11273	1.3
541.99695	0.1
887.28229	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	887.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01859	0.2
68.99792	0.2
69.03409	0.3
70.06573	0.1
71.04986	4.1
73.02909	0.2
75.04465	0.2
81.03381	0.2
83.04961	0.6
85.02895	6.1
87.04466	0.2
91.05466	0.2
95.44142	0.1
97.02899	0.6
99.04452	0.1
100.78394	0.1
109.02816	0.1
111.04428	0.4
117.05502	0.1
119.04932	0.8
121.02859	0.3
127.03881	0.3
129.05458	1.3
145.02827	0.4
145.04916	0.3
147.06512	0.5
153.01811	2.3
163.03894	0.2
163.05994	0.2
171.02870	0.4
200.13226	0.1
203.07045	0.1
225.05367	0.2
229.04922	0.2
243.06471	0.2
246.09189	0.1
271.05969	100.0
272.06302	2.9
283.05881	0.2
287.05444	1.3
295.05856	0.1
313.07120	0.5
337.07001	0.2
381.09619	0.4
399.10684	0.2
417.11618	0.5
433.11234	4.3
434.11584	0.1
579.16943	0.2
595.16492	11.5
596.16772	0.6
741.21948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91585	1.9
69.22727	11.4
72.38692	1.8
86.21590	1.9
125.36267	2.0
176.04518	5.5
201.04924	1.9
203.03152	20.0
204.04010	5.7
219.06271	15.4
231.06363	3.2
362.37579	2.0
410.13211	2.2
421.12228	2.1
438.12982	10.6
439.13708	10.5
440.14331	13.4
511.16037	4.3
522.43475	2.4
630.23767	2.1
663.20685	3.6
664.21130	100.0
665.22040	9.7
683.58356	2.0
859.28302	3.7
889.28729	84.3
890.28796	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	890.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87668	0.4
65.03933	1.1
65.13548	0.5
67.05506	1.3
68.36365	0.4
69.03419	2.6
71.04984	19.3
71.44110	0.5
73.02917	1.0
75.03257	0.4
77.03928	1.4
77.81261	0.4
79.05482	3.9
81.03403	3.7
85.02894	8.0
85.06527	3.7
91.05469	22.6
94.04192	1.5
95.04961	4.9
97.02879	4.6
99.04454	0.8
102.04702	0.4
103.04012	1.0
103.05457	46.3
104.05721	0.5
105.03413	2.2
105.04511	1.2
105.07019	29.1
106.07404	0.5
107.04932	1.5
108.05675	0.5
109.02869	3.2
109.06505	1.1
113.05989	3.8
115.05442	5.8
117.06983	0.7
119.04926	33.9
119.08566	0.7
120.05241	0.7
121.02895	0.5
121.06488	0.9
122.03619	2.0
123.08057	0.8
127.03906	2.9
127.07540	13.1
129.06955	0.6
131.04912	100.0
132.05298	1.5
133.02835	46.1
133.06468	21.8
133.10077	0.5
134.03192	0.7
134.06815	0.6
135.04427	1.0
136.05083	0.5
137.05960	35.1
139.41115	0.4
141.05420	0.8
143.06015	2.9
144.05736	0.6
145.04926	2.2
145.08577	71.2
146.07243	1.7
146.08920	1.0
147.04384	18.2
147.08058	1.5
148.04713	3.3
149.04962	0.9
149.05986	2.6
150.06755	0.7
151.03889	1.2
151.07529	17.7
155.05960	0.6
155.07069	1.0
157.06413	0.8
159.08029	2.2
160.05167	1.1
161.05960	78.3
162.06412	0.8
163.03880	1.5
163.07518	58.1
164.07835	1.1
165.05458	21.9
166.05786	0.4
169.06430	0.6
171.08012	0.6
172.05161	2.0
173.08150	2.6
173.09354	0.5
174.06789	0.5
175.07520	7.8
177.05479	2.8
177.09036	0.5
179.07007	23.7
180.07410	0.7
187.05917	0.4
187.07489	9.9
189.08987	0.8
190.07726	0.5
191.06992	1.8
191.09038	5.8
197.05917	0.7
199.07529	1.0
201.09087	0.7
203.06935	1.8
203.08594	0.5
205.08522	0.8
215.06982	1.5
217.08586	3.4
218.07184	0.6
219.08084	2.0
219.09935	0.5
229.08556	1.8
231.08167	0.7
233.08029	2.5
233.10199	0.7
247.07469	1.0
251.10667	3.5
257.07797	2.2
257.10190	2.0
259.07550	0.8
259.80795	0.5
263.10767	0.6
275.08917	1.5
275.11426	6.0
279.10074	3.3
287.05338	1.0
288.05731	0.8
289.05807	0.7
291.10107	3.3
293.10098	0.9
309.11282	1.0
311.09302	0.8
311.12747	15.7
317.12109	1.3
323.12637	4.2
325.14124	0.7
335.13364	2.3
341.13824	4.7
344.23248	0.4
353.13617	0.5
419.14404	0.5
437.15936	0.5
447.16144	0.7
449.16306	0.5
465.17575	1.0
510.84271	0.5
538.09821	0.5
627.24005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78453	1.1
67.05482	1.9
67.27441	1.0
69.03413	3.7
70.05727	1.8
70.06049	1.9
70.06580	1.3
71.04986	33.4
76.81554	1.0
79.05480	2.2
81.03398	3.8
83.27454	1.1
84.46230	1.1
85.02900	3.4
85.06529	8.8
91.05450	5.8
93.07011	2.3
94.04175	3.0
95.04946	3.1
95.08620	1.0
97.02876	6.0
103.05476	1.6
105.07029	3.1
107.04935	2.1
107.08568	1.7
109.02869	3.8
109.06522	1.9
113.05981	7.4
115.03909	1.5
115.05426	4.0
117.06989	3.8
119.04937	5.4
121.06441	2.9
122.03654	6.2
123.08037	3.6
127.03896	3.3
127.07542	20.3
129.06966	3.6
131.04930	3.9
131.07021	6.8
131.08533	1.4
133.06500	2.2
135.08003	1.9
137.05957	100.0
138.06300	2.7
143.04846	1.7
145.06604	2.8
145.08574	84.0
146.03627	1.6
146.08905	1.7
147.04431	1.0
147.08075	1.7
149.05956	1.7
151.03928	2.3
151.07518	33.4
157.06429	1.8
159.08179	1.3
161.05956	16.3
161.09583	3.2
163.07556	8.7
165.06993	1.7
165.09109	1.3
171.95288	1.0
175.07509	9.8
177.09091	18.2
179.07027	1.2
181.06474	1.8
187.07506	1.5
189.09048	10.3
191.09200	6.3
193.06396	1.4
194.07210	1.7
195.08305	1.3
195.10095	15.5
203.06926	1.7
205.06430	2.0
205.61342	1.2
207.08209	1.8
207.10178	4.7
210.06743	1.1
211.07570	1.6
213.09081	1.5
219.08170	1.5
219.10158	4.2
221.05896	5.2
221.11673	3.3
222.06711	1.5
223.07452	1.9
225.09018	3.2
227.07037	1.3
231.10156	1.3
233.05954	2.8
234.06656	2.2
237.09032	4.1
239.10571	1.3
241.08507	2.4
247.07594	1.5
249.09035	3.7
249.11281	1.5
250.06129	1.9
251.06848	1.3
252.07678	1.9
253.08665	6.8
254.09352	2.1
257.10126	2.1
265.08490	13.7
266.09167	1.7
267.10114	5.8
269.11807	1.4
271.09570	1.2
273.11340	2.6
275.11185	3.5
277.08444	5.3
279.10052	3.7
283.09613	5.3
284.10144	1.3
285.11188	14.9
289.08481	1.6
291.10056	1.6
293.08429	1.3
293.11743	1.8
296.10385	1.1
297.11212	21.7
298.11743	1.7
305.12097	5.7
309.11215	6.1
311.12662	16.2
317.13486	3.6
321.11060	1.3
323.12814	2.7
335.13123	3.7
337.14148	3.0
341.13589	2.7
343.15256	6.8
355.15335	4.2
367.15363	4.6
379.15393	2.5
397.16339	1.3
447.17667	2.4
456.44238	1.2
459.17545	3.4
461.19632	11.2
473.19235	1.7
477.19049	1.9
479.20602	46.5
480.21063	2.6
489.19046	2.2
491.20612	22.6
492.21298	1.5
493.22198	2.4
501.19208	1.3
503.20670	7.2
509.20587	1.6
515.20471	2.2
521.21387	2.7
527.20129	2.9
533.21533	1.6
545.21387	3.7
551.20276	2.3
569.21716	8.6
587.22546	5.7
605.23444	2.2
759.29517	1.7
777.30139	2.6
795.31177	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	892.38
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.5
67.05489	1.1
69.03419	3.8
71.04981	29.5
71.61643	0.4
73.02903	0.8
79.05466	1.6
81.03410	4.2
85.02893	7.4
85.06525	5.4
91.05482	3.4
93.07017	0.7
95.04954	3.6
97.02872	4.2
99.04409	0.9
103.03934	1.2
103.05457	4.5
105.07017	5.2
107.04944	7.5
108.25047	0.4
109.02868	3.5
109.06519	0.5
111.04436	1.1
113.05990	6.4
115.03883	0.7
115.05440	1.3
117.06964	0.6
119.04922	2.9
121.06494	2.2
122.03646	1.2
123.04353	0.5
127.03887	4.5
127.07534	18.9
129.07021	1.1
131.04912	7.1
131.07021	9.5
133.02821	1.8
133.06476	6.1
135.04424	0.6
135.08005	2.4
137.05956	23.6
138.06303	0.5
141.05431	2.1
141.06990	0.9
143.04945	0.5
145.04924	1.9
145.08574	100.0
146.07213	0.6
146.08934	1.8
147.04407	2.9
147.08026	0.5
148.05139	1.0
149.05945	6.5
150.06709	0.5
151.03899	1.3
151.07520	7.3
155.06996	3.9
157.06464	1.7
159.04402	0.6
159.09229	0.6
160.05191	0.6
161.05956	18.3
161.09581	4.1
162.06702	0.9
162.09874	0.8
163.03871	2.8
163.07516	13.4
165.05521	1.0
165.09091	3.4
167.07077	0.6
169.06473	1.0
173.08054	4.8
174.06699	0.6
175.07530	4.2
177.05470	1.7
177.09016	1.4
179.07028	4.1
179.10703	0.7
181.06386	0.5
181.08589	2.5
187.05917	0.6
187.07489	1.2
188.04562	0.5
189.09076	8.9
191.07031	4.4
191.09123	17.6
193.08516	0.7
195.08113	1.0
195.10120	0.5
197.05949	1.6
201.09087	0.7
203.06999	4.2
205.08615	0.6
207.06613	0.5
207.10136	10.5
215.07063	4.3
215.08948	0.8
217.08630	0.9
219.10164	1.2
223.07523	0.7
225.08995	0.7
227.06906	0.7
227.10626	1.3
229.08620	3.4
233.08041	4.3
233.09981	0.9
239.06950	0.5
245.07965	0.9
249.11232	0.9
253.08673	0.7
255.10139	1.0
257.08020	5.0
257.10242	2.0
261.11380	0.6
267.10141	0.7
271.07980	0.8
273.11206	1.9
275.08899	2.3
275.11404	8.0
285.11224	0.9
287.09073	0.6
287.12698	1.3
289.10574	0.6
291.12274	1.9
293.09891	3.3
297.11218	0.7
299.11176	1.4
305.10074	0.8
311.12344	1.0
313.14233	1.9
317.12469	4.5
331.15335	6.7
335.13345	10.8
343.15234	2.0
421.16620	0.6
447.16559	0.6
451.16797	0.6
465.17371	3.1
469.18808	0.6
483.18628	2.3
786.52374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29818	0.4
66.70193	0.4
69.48087	0.4
70.06589	0.4
71.98454	0.4
98.22665	0.9
98.97575	0.8
110.97584	0.5
113.09181	0.5
137.05940	0.6
237.22701	0.5
289.73807	0.4
327.69623	0.3
339.05997	0.4
341.07199	0.8
352.30109	0.4
369.10059	0.7
371.14508	0.4
372.08755	1.9
374.84753	0.4
384.08749	0.4
387.11026	2.5
390.09973	1.0
405.12399	1.7
417.12430	0.6
435.13388	0.6
516.13336	0.7
531.15393	1.2
561.16370	7.1
603.17365	2.9
723.21539	0.8
794.55811	0.5
895.29779	100.0
896.29962	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	895.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98668	0.7
70.57151	0.7
105.66001	0.8
154.37369	0.8
162.96440	0.7
171.59410	0.8
185.23888	0.8
194.76006	0.9
213.07353	2.0
281.49225	0.8
315.10178	0.9
357.11676	3.4
358.97336	0.9
403.61520	1.0
456.01752	0.8
827.80389	0.9
895.33258	100.0
896.33850	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	897.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79583	0.6
69.79964	0.8
72.36569	0.4
81.03397	0.4
85.02879	0.4
89.83965	0.4
108.54819	0.4
109.29752	0.4
125.02151	1.3
137.06009	0.6
138.02911	0.4
151.00092	0.5
153.05235	0.9
159.04123	1.7
163.03874	0.7
167.06897	0.4
168.07742	0.6
169.04665	2.2
175.03735	1.7
188.04411	0.6
213.07286	4.0
219.06215	0.5
222.03474	0.4
255.08475	1.6
285.09485	1.0
287.05527	1.1
297.09573	0.5
315.10547	0.5
337.12781	0.6
341.12228	1.3
351.10773	0.7
357.11478	5.2
365.12225	0.9
366.12848	3.8
367.13614	0.5
379.13577	3.8
393.11298	0.5
407.12900	0.5
463.15936	1.1
477.17480	1.8
481.16544	0.7
515.19061	0.6
523.17761	11.4
524.17755	0.5
535.17816	0.7
537.19373	17.2
538.19739	0.9
563.20966	9.3
563.29266	0.7
600.87994	0.4
720.19666	0.4
745.22034	0.4
837.32587	0.9
897.33496	100.0
898.33649	7.9
933.16046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
131.04959	1.3
133.76656	0.6
137.05965	3.3
163.03894	1.9
175.07466	0.7
177.05467	0.7
189.05200	66.3
190.05965	2.7
202.06001	1.3
203.06953	1.9
205.04680	14.8
219.06354	2.8
232.07053	1.3
234.08476	1.1
253.94850	0.7
262.08185	0.9
271.06137	2.7
332.25546	0.7
365.44037	0.8
374.32919	0.7
416.14719	2.4
428.14441	1.2
429.15390	2.8
439.16934	3.2
443.16934	1.5
444.17615	2.5
454.35083	0.7
457.18298	25.9
458.18353	1.4
459.16394	0.8
471.19931	3.2
473.17972	2.4
487.19287	3.5
655.23724	2.8
670.25970	4.1
897.34955	100.0
898.35394	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	897.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24522	0.6
69.67725	0.5
70.90892	0.5
71.43060	0.6
76.76096	0.6
79.98488	0.5
80.21281	0.6
81.03413	0.6
81.29360	0.5
89.49410	0.6
91.05502	0.9
93.07020	0.8
121.10246	0.5
137.05972	3.3
159.04184	0.8
161.06039	0.7
163.03957	0.8
174.02901	0.9
175.03729	0.9
177.05481	0.7
189.05200	64.4
190.06018	2.9
195.73964	0.6
202.06026	1.0
203.06895	1.7
205.04689	16.7
207.06290	0.7
219.06209	3.5
231.06357	1.6
232.07123	0.9
234.08636	2.0
237.41492	0.7
249.07338	0.8
252.76494	0.6
262.08124	0.7
271.06073	0.9
287.05936	0.8
314.11032	0.6
416.14697	1.6
425.15527	0.6
428.14627	1.3
429.15427	2.6
439.17255	3.0
443.16260	2.7
444.17630	2.2
455.17041	0.6
457.18265	28.9
458.18417	0.8
459.87503	0.6
471.19781	5.2
473.17865	2.7
487.19617	2.6
655.23370	4.7
670.25562	3.0
897.34973	100.0
898.35132	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	900.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	1.2
69.03055	1.8
69.03420	25.2
69.60473	1.7
69.60793	2.3
71.04979	5.7
73.02909	1.2
78.88992	1.0
79.05492	1.2
79.65231	1.0
81.03412	24.1
81.07034	1.1
83.04971	100.0
85.02894	35.2
91.05465	2.2
93.07066	1.4
94.04180	2.6
95.04958	3.0
97.02882	55.4
98.23405	1.2
99.04459	7.9
101.06010	50.2
103.05526	1.3
109.02869	29.0
109.06503	1.8
109.72337	1.0
111.04424	3.4
113.05980	1.7
115.03915	2.0
115.05443	3.3
117.07014	2.2
119.04900	1.6
119.07047	27.8
121.06513	2.1
122.03632	3.3
125.05989	2.4
127.03896	40.5
128.04337	0.9
128.06200	1.7
129.06989	4.1
131.04906	4.2
131.98476	0.9
135.08008	1.6
137.05966	63.2
138.06287	1.8
143.04900	7.6
143.07002	2.6
145.04950	24.8
145.06308	2.2
149.05966	2.5
151.03879	3.2
151.07478	2.5
153.05489	1.2
157.06493	4.1
160.05154	8.2
161.05898	3.7
163.06329	0.9
163.07501	5.9
165.09241	1.7
167.07047	4.0
172.05199	2.5
173.05965	1.5
174.06764	1.4
175.07527	61.7
176.07834	1.2
179.06998	1.5
185.08064	2.0
187.05994	10.2
187.07547	28.8
189.09015	5.7
191.07039	3.9
199.07527	1.4
201.09161	3.2
205.06960	3.9
205.08621	11.0
206.04485	1.5
209.08066	20.6
211.07585	2.5
217.08630	3.9
219.08009	1.5
219.10223	2.0
227.09114	20.2
231.08035	2.3
235.09627	21.7
239.07074	1.2
245.10173	62.0
246.10381	1.7
247.07158	1.0
248.08212	1.9
261.09537	4.0
263.11160	12.3
270.08749	2.2
271.09692	2.6
279.10117	2.5
287.11145	1.9
291.10016	4.7
311.12640	2.2
323.12744	9.5
325.14172	6.3
327.14401	4.9
335.11325	1.6
341.10043	0.7
341.13782	19.4
353.12482	2.1
357.13428	1.2
389.14355	1.2
435.16544	1.4
449.16422	1.5
453.17572	2.6
471.18536	4.6
489.19662	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	901.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	2.7
69.65379	3.4
69.65766	3.0
81.03407	2.0
85.02904	4.4
93.07043	3.5
94.06545	4.8
95.07353	1.7
96.08131	4.5
97.02909	3.8
98.22735	2.7
98.23306	3.6
105.07036	1.8
107.07313	2.3
108.08093	9.5
109.02898	1.4
110.09665	7.8
115.05518	1.7
119.64981	1.9
119.65817	1.6
120.08089	7.8
122.09632	2.0
124.07578	3.0
136.07570	13.9
138.09113	13.9
146.06044	1.8
147.04430	1.7
148.07533	3.5
150.09146	3.5
152.07069	1.7
164.07030	2.6
166.08635	14.5
168.25719	1.6
188.00186	1.7
207.82323	1.6
237.10205	2.1
248.09319	3.5
249.10213	7.1
250.10907	10.6
251.11792	5.6
252.28780	1.6
253.73262	1.4
261.10098	7.6
262.10953	12.7
263.11737	18.8
264.08929	2.6
264.12497	2.4
265.09790	2.3
265.13354	4.0
267.11395	2.3
275.11716	5.1
276.12408	2.9
277.09723	6.1
277.13260	5.3
278.10574	3.4
279.11362	12.6
281.12961	1.9
289.09668	5.8
290.10510	2.1
291.11252	21.8
292.11719	1.8
293.09372	4.0
293.12842	5.8
295.10858	10.4
296.11383	2.2
297.12311	6.4
303.11307	3.0
307.10730	15.3
308.11304	4.6
309.12271	19.4
310.12927	1.9
311.13812	2.1
319.10727	3.2
320.11301	3.8
321.12283	60.4
322.12726	4.0
323.13828	6.7
335.13834	2.0
337.11795	6.2
339.13504	2.1
340.14355	3.4
349.11700	18.7
350.12579	9.8
354.15945	2.5
355.13092	2.6
359.13693	2.4
367.13049	3.9
368.13583	29.3
368.17798	2.6
369.14401	51.1
370.14993	3.4
380.13651	8.7
381.14432	42.3
382.15179	17.7
384.17163	1.7
398.14423	1.8
403.12582	1.7
407.15771	1.9
414.18149	3.6
419.16330	9.2
426.18317	1.8
428.16077	1.9
431.12393	3.2
433.13818	5.0
442.17410	3.8
451.15012	16.4
453.16333	4.6
460.18643	7.1
463.14804	8.2
465.16364	2.3
472.18420	2.3
474.20465	3.0
484.18857	2.2
488.18054	2.9
490.19623	3.3
500.17896	4.2
501.19125	1.7
502.19415	5.6
503.20462	1.8
504.21179	6.1
505.21460	4.2
516.21210	5.8
521.34454	1.5
532.20709	22.1
533.21466	76.1
534.22192	33.3
554.19208	2.1
568.20068	2.5
574.21771	24.0
586.21387	14.9
616.22809	100.0
617.23071	9.0
618.24548	10.3
625.80237	1.6
655.27814	3.5
689.25470	4.2
695.26929	13.5
696.27124	6.1
707.26880	10.2
716.50427	1.8
721.28375	4.4
739.29578	74.1
740.29663	5.0
778.27814	10.7
901.29828	3.1
921.96869	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.7
73.05791	1.6
85.02905	3.7
91.05459	2.8
93.07039	2.7
94.06558	4.2
95.07336	2.4
96.08136	6.6
97.02892	3.0
97.06598	1.9
108.08111	12.7
110.09682	12.0
118.10452	1.6
120.08080	9.0
122.06067	2.7
122.09708	3.0
124.07588	4.0
136.07555	14.5
137.05942	1.9
138.09125	15.2
138.90567	1.5
148.07549	4.3
150.09081	2.7
152.07037	1.8
166.08632	22.1
179.35898	1.7
187.23863	1.6
227.11626	1.8
235.08688	1.8
237.10205	1.7
248.09529	2.6
249.10159	8.0
250.10985	10.2
251.11874	5.4
261.10162	8.4
262.10876	11.2
263.07935	1.5
263.08856	1.9
263.11713	17.7
264.12512	3.8
265.09781	3.2
265.13297	4.7
275.08652	1.5
275.11639	5.0
276.12396	3.2
277.09814	9.4
277.13342	7.0
278.10330	3.4
279.11215	15.8
281.09183	1.6
283.10971	1.7
287.11795	1.8
289.09641	6.9
289.12903	2.1
290.10428	3.3
291.11191	21.6
293.09152	3.9
293.12756	5.3
295.10944	8.3
295.13785	1.8
296.11548	2.3
297.12323	6.4
301.09860	1.9
303.11249	4.9
304.11761	1.9
305.12729	2.3
307.10764	13.3
308.11462	4.1
309.12289	21.0
310.13104	2.3
317.12909	2.7
319.10687	4.1
321.12320	54.8
322.13068	3.1
323.13776	4.9
325.11951	2.6
331.10617	3.3
331.14413	2.2
332.11673	3.2
333.12186	2.3
334.12997	1.7
335.13818	2.1
337.11807	7.2
339.13431	2.4
340.14301	3.7
343.10455	2.4
345.12085	2.0
347.13910	2.3
349.11752	16.5
350.12711	12.0
353.11340	2.0
354.15936	2.2
355.12921	3.5
359.14050	2.4
361.11673	2.5
367.12970	2.8
368.13635	26.1
369.14352	37.0
375.13187	2.7
379.12738	2.1
380.13498	9.2
381.14410	36.5
382.15305	14.4
387.13345	2.3
391.12918	3.6
397.13782	2.0
403.12943	4.4
405.14441	2.7
412.16281	2.9
414.18036	3.7
419.15970	6.6
421.14267	2.2
423.15408	2.4
424.16785	2.0
431.12274	2.9
433.13757	5.4
451.14902	14.4
452.15356	2.0
453.16562	7.8
460.18686	7.4
463.14893	6.3
465.16483	2.5
472.18387	3.0
488.17828	2.9
489.18918	1.8
490.19846	4.2
500.17972	2.7
502.19556	4.1
504.21237	4.4
505.21936	5.0
515.20306	2.0
516.21063	3.7
520.22003	1.7
532.20654	16.0
533.21478	56.4
534.22241	34.9
538.20038	2.2
542.19293	3.6
554.19855	3.0
574.21826	22.7
584.20361	3.2
586.21582	14.2
598.21362	3.2
611.24762	2.2
616.22809	100.0
617.23224	6.0
618.24365	24.0
655.27625	4.1
689.25928	2.3
695.26617	11.2
696.27411	2.5
707.27057	10.6
721.28125	3.1
739.17023	3.3
739.29565	55.4
740.30341	2.6
778.27942	9.7
779.28613	2.2
780.28906	2.1
869.32379	5.9
901.31512	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	902.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.9
70.06577	1.4
71.04985	29.7
71.41486	0.8
73.02892	0.8
77.52227	0.9
78.61485	0.7
81.03407	3.1
85.02902	3.4
85.06529	5.6
86.10974	0.7
95.04951	0.8
97.02884	4.1
97.53260	0.6
99.04451	1.2
105.07023	0.7
107.04944	1.3
109.02844	2.9
113.05981	5.3
114.92094	0.7
115.05449	1.4
117.06989	1.8
122.03641	1.3
127.03918	3.4
127.07544	17.0
129.06987	1.4
131.04958	1.4
131.07045	8.7
133.06491	0.9
137.05969	15.1
143.04897	1.8
145.04953	2.1
145.06517	4.3
145.08583	100.0
146.08942	1.3
147.04388	1.1
151.03897	0.8
155.07072	0.9
156.05754	0.9
157.06493	1.0
159.08034	1.1
160.05168	1.6
161.06119	0.9
163.03900	1.0
165.09114	1.5
167.07033	7.2
173.05980	8.4
173.07355	0.9
173.08069	1.4
175.06108	1.5
175.07539	18.3
187.07530	7.0
189.09061	1.3
190.06233	4.5
191.09120	11.0
203.06987	1.2
205.08583	14.7
217.08557	8.1
235.09601	10.9
247.09740	1.9
257.10107	1.4
265.10651	9.0
277.08459	0.9
285.07504	1.5
293.11594	1.1
299.11243	2.1
300.09967	2.3
301.10620	1.4
317.12219	3.3
321.11142	1.8
323.09036	0.9
335.13367	5.4
339.12088	0.9
341.13843	2.2
353.13754	4.6
371.14859	10.0
387.14349	0.8
604.19946	0.8
869.76495	0.8
902.31549	0.9
939.15790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.0
69.03419	2.8
69.16664	0.9
69.17075	1.1
70.06573	0.6
71.04982	28.3
71.38409	0.3
73.02900	0.4
79.05474	0.9
81.03406	3.6
85.02899	3.9
85.06530	7.0
91.05473	0.5
94.04161	0.4
95.04964	1.6
96.65503	0.4
97.02888	4.0
99.04434	0.6
103.05456	0.4
103.07506	0.4
105.07008	0.4
107.04944	1.9
109.02865	3.0
110.09687	0.3
113.05991	6.0
115.05442	1.7
117.06965	2.0
122.03615	0.9
123.04408	0.7
127.03906	3.3
127.07539	17.1
128.06235	0.5
129.06984	1.5
131.04901	0.7
131.07024	9.4
131.08562	1.0
135.08044	0.3
137.05965	17.0
138.09074	0.4
143.04903	1.3
144.05598	0.6
145.04996	1.8
145.06496	5.1
145.08575	100.0
146.08905	1.0
147.04425	0.3
151.03876	0.5
155.05937	0.6
155.07045	1.0
156.05644	0.9
157.06470	1.4
159.08037	1.2
160.05183	2.6
161.05940	1.1
162.07648	0.6
163.03874	3.2
164.04236	0.6
167.07019	8.9
172.05211	0.7
173.05971	8.3
173.08064	2.0
174.06596	0.3
175.07523	17.3
177.05460	0.7
180.08661	1.0
181.04913	0.4
185.05974	0.5
185.08003	0.5
187.05991	0.7
187.07504	6.6
189.09061	1.9
190.06247	2.9
191.07289	0.7
191.09117	10.7
193.08521	0.7
201.09169	0.5
202.06151	0.7
203.06970	1.1
205.08588	15.4
217.06625	0.7
217.08565	7.4
219.10149	1.1
232.04660	0.4
233.09747	0.6
235.09627	10.6
236.09793	0.5
241.08540	1.1
247.09605	1.3
257.10306	1.6
261.09088	1.2
263.06821	0.5
265.10703	7.2
269.08096	0.6
271.05890	3.0
272.06296	1.1
275.11224	0.8
277.08575	0.9
278.09341	0.6
285.07581	1.0
289.08441	0.5
293.08331	0.3
293.11597	0.8
295.10086	0.3
299.11188	2.0
300.09869	2.0
301.10675	0.5
309.11307	0.8
317.12274	3.4
321.11142	1.0
326.11478	0.6
335.13312	4.6
338.11603	0.6
339.11981	0.5
341.13687	1.3
353.13797	4.2
355.15350	1.3
371.14804	8.9
372.15411	0.7
587.22101	0.5
617.23163	0.7
676.10620	0.4
740.29297	0.7
902.30023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.8
67.05491	31.1
69.03431	1.3
69.07056	10.5
69.84084	1.1
70.57677	1.2
70.58006	1.2
71.04977	1.6
71.41653	0.9
73.02906	2.0
78.25590	0.9
79.05479	31.6
81.03409	2.0
81.06559	1.8
81.07043	35.8
83.04967	2.8
83.08601	8.2
85.02895	3.9
86.77527	1.0
91.03959	1.3
91.05462	15.8
93.07029	42.2
95.04951	6.5
95.08588	40.3
95.09207	1.5
97.02873	4.2
97.06512	1.9
99.04451	2.3
105.07012	9.0
107.04955	6.6
107.08577	26.2
109.06499	1.5
109.10139	8.6
111.08028	1.3
117.07024	7.5
119.08568	12.7
121.06493	4.5
121.10123	16.4
123.11682	2.9
125.05994	3.0
125.09622	1.0
131.08574	3.7
133.10112	7.1
135.08017	1.6
135.11670	38.9
136.11984	1.1
145.10094	23.6
147.11693	1.6
149.13242	2.7
159.11652	3.1
161.13243	1.6
163.09753	2.1
163.11153	39.2
163.14861	1.9
173.09641	1.0
173.13176	1.9
181.12149	6.8
209.11597	1.3
227.12733	43.6
228.13058	1.4
243.21005	2.9
261.22177	7.5
283.15347	55.3
317.24731	2.2
329.73831	1.1
335.25735	98.3
336.26080	3.2
543.36707	100.0
544.37195	5.4
655.26837	1.8
705.40320	1.4
902.50256	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	40.3
69.03418	2.5
69.07053	13.8
71.04972	2.7
73.02885	3.0
79.05473	44.3
81.03416	3.0
81.07041	43.2
83.04959	4.0
83.08599	11.9
85.02874	3.6
85.47933	2.0
91.03962	3.3
91.05453	18.2
91.05899	1.9
93.07023	48.8
95.04971	8.1
95.08585	51.3
97.02882	7.5
97.06512	4.9
97.10139	2.2
99.04430	3.0
105.06987	16.3
107.04939	8.3
107.08566	36.9
109.10133	14.4
111.04444	2.3
111.69585	2.0
116.57179	1.7
117.06963	8.8
119.08558	16.8
121.06452	4.5
121.10114	20.8
123.08064	2.2
123.11741	2.3
125.05950	4.3
129.07008	2.7
131.08548	6.7
133.10100	9.2
135.08032	2.7
135.11665	56.0
139.07523	2.8
145.10104	35.3
147.11670	4.1
149.13266	3.7
159.11626	4.3
161.13329	2.2
163.11131	63.6
163.12421	3.9
181.12199	12.2
204.56534	1.8
227.12732	82.9
251.01007	2.2
261.22092	9.4
283.15332	100.0
284.15811	3.3
317.24667	4.1
335.25705	96.3
336.26077	3.9
356.37286	2.3
427.19119	2.1
543.36676	87.3
544.37128	3.3
561.37842	2.3
607.28149	1.9
696.06134	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.254
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
63.02353	0.4
68.99773	0.3
69.03398	0.9
71.04979	6.4
75.04469	0.3
79.05480	1.2
81.03396	1.2
83.04958	2.0
85.02890	7.7
87.04461	0.3
89.03900	5.7
91.05461	0.7
93.07009	0.2
95.04923	0.5
97.02877	0.5
99.04467	0.4
105.03381	0.3
106.75104	0.2
107.04939	1.8
109.02861	0.9
111.00793	0.3
111.04420	1.0
113.05996	0.3
115.03867	0.2
115.26266	0.2
117.02556	0.5
117.03359	6.6
119.04929	1.0
120.08160	0.2
121.02834	2.3
124.03851	0.2
127.03864	0.9
129.05492	1.2
133.02771	0.4
135.04391	15.0
136.04764	0.2
137.02248	0.4
137.05972	0.5
145.02826	10.9
145.06465	0.4
147.04381	5.7
147.06354	0.4
153.01805	1.6
163.03873	100.0
164.04274	1.3
165.01790	0.7
175.07404	0.3
177.05420	0.3
181.04974	1.3
183.02890	0.4
205.04926	0.4
213.05424	0.7
231.06332	0.5
239.09145	0.3
241.04839	0.3
270.51953	0.2
272.67639	0.2
287.05441	50.0
288.05746	1.0
291.08621	0.5
293.12360	0.3
299.05707	0.3
303.04987	0.6
307.08090	1.3
309.09756	0.7
325.09155	1.5
329.06491	1.0
353.06467	0.3
397.08969	0.6
433.11066	2.5
736.50281	0.2
757.66248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2539
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
63.02368	0.4
68.99780	0.1
69.03415	0.8
69.60242	0.1
70.06576	0.3
70.17637	0.2
71.04981	4.8
73.02883	0.1
75.04456	0.2
77.03874	0.1
79.05479	0.7
81.03400	2.4
83.04966	1.6
85.02887	6.3
87.04438	0.2
89.03897	4.6
91.05458	0.2
95.04941	0.4
97.02846	0.5
99.04438	0.4
105.04507	0.1
107.04939	1.5
109.02850	1.2
111.00822	0.2
111.04432	1.3
117.03359	5.3
118.03679	0.1
119.04909	0.2
121.02847	1.4
123.04383	0.2
126.02738	0.1
127.03888	0.5
129.05457	1.5
135.04388	13.6
137.02313	0.1
145.02820	10.4
147.04356	0.9
147.06525	0.4
151.03862	0.2
153.01794	0.9
153.05310	0.1
157.06383	0.1
161.05936	0.2
163.03870	100.0
164.04190	1.2
165.01776	0.4
175.03841	0.1
181.04918	4.5
185.05890	0.2
186.05444	0.2
213.05452	0.3
231.06422	0.2
241.04874	0.3
245.04324	0.1
258.05222	0.4
259.06030	0.2
265.06927	0.1
271.06009	0.8
272.06354	0.1
273.07446	0.5
275.11148	0.1
287.05435	29.4
288.05875	0.6
291.08472	0.5
299.05350	0.6
307.08072	4.0
309.09756	0.4
311.05579	0.2
313.07111	0.2
325.09167	5.0
326.09482	0.1
329.06400	1.1
351.08490	0.1
353.06375	0.5
379.08002	0.2
397.08951	0.7
415.10284	0.6
433.11255	2.4
435.12643	0.3
471.14865	0.2
803.70612	0.1
903.32336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2533
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
63.02361	0.2
65.03917	0.1
67.01852	0.3
68.99781	0.3
69.03056	0.3
69.03416	3.7
71.04983	2.4
71.43748	0.2
79.05473	0.6
81.03388	0.2
85.02895	3.4
86.09693	0.2
89.03899	2.2
91.05453	0.4
96.50855	0.1
97.02851	0.3
99.04447	0.2
107.04944	0.6
109.02840	0.3
111.04388	0.1
117.03355	2.8
119.04921	1.4
121.02842	1.0
127.03897	1.5
129.01833	0.3
129.05461	0.7
131.59442	0.2
135.04399	6.5
137.05952	0.3
138.36067	0.2
145.02826	5.8
147.04387	0.8
153.01797	4.3
163.03876	54.1
164.04175	0.8
171.02869	1.0
181.04852	0.8
195.56235	0.2
203.07024	0.2
225.05415	0.6
229.04985	0.2
243.06572	0.3
247.05940	0.4
271.05957	100.0
272.06290	2.2
280.28351	0.2
283.06030	0.2
307.08087	3.2
313.06967	0.3
325.09137	10.6
326.09433	0.3
330.78510	0.2
415.10983	0.2
433.11261	4.4
525.59277	0.2
595.15527	0.2
757.19647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99738	0.3
69.03405	0.9
70.68788	0.5
71.04981	5.2
71.42308	0.2
79.05460	0.8
81.03407	2.6
83.04969	2.1
85.02394	0.5
85.02892	6.7
89.03896	5.0
89.04435	0.3
91.05470	1.5
93.92325	0.3
94.14087	0.2
95.04926	0.5
97.02883	0.7
99.04460	0.3
106.54083	0.3
107.04944	1.7
109.02853	1.5
111.00815	0.3
111.04440	1.4
113.18120	0.3
117.03351	5.8
119.04924	3.7
121.02835	2.0
127.03886	0.7
129.05424	1.6
133.02831	0.3
135.04390	15.0
137.02312	0.4
145.02821	10.3
147.04385	18.4
148.04745	0.4
151.03873	0.3
153.01768	1.3
153.48790	0.3
163.03873	100.0
164.04201	1.3
165.01831	0.6
165.05440	1.1
181.04912	3.7
213.05374	0.6
239.09193	0.3
241.04807	0.4
258.05182	0.4
271.05939	2.4
273.07532	0.3
287.05450	36.6
288.05811	1.2
289.06006	0.3
291.08603	1.2
299.05472	0.7
303.04895	0.6
307.08038	3.6
309.09677	1.6
325.09167	5.1
329.06531	1.1
379.07849	0.4
390.02209	0.3
397.09042	0.8
412.24149	0.3
415.10281	0.4
433.11151	2.5
435.12802	0.4
588.02380	0.3
595.16168	0.4
738.49640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2763
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
67.01856	0.1
68.99473	0.1
68.99811	0.2
69.03419	2.3
70.06560	0.2
71.04623	0.1
71.04986	1.3
73.02904	0.5
75.04445	0.1
81.03407	0.9
81.82414	0.1
83.01321	0.1
83.04951	0.3
85.02892	9.9
86.01905	0.1
87.04450	0.3
91.03937	0.4
91.05430	0.2
97.02878	2.6
99.04476	0.5
103.03947	0.2
109.02858	0.8
111.04416	0.3
115.03923	0.4
117.03398	0.1
119.04928	0.8
121.02834	0.5
125.02352	0.1
127.03893	2.0
129.05469	0.8
133.04984	0.5
135.04384	0.3
139.03792	0.1
145.02896	0.6
145.04933	2.2
147.06499	0.3
153.01813	2.3
161.22652	0.1
163.03867	2.0
163.05888	0.5
171.02815	0.5
179.05481	0.2
203.06963	0.2
213.07634	0.1
215.27841	0.1
225.05392	0.3
229.04878	0.2
243.06476	0.2
247.06102	0.1
255.08675	0.2
270.05093	0.1
271.05960	100.0
272.06299	2.1
273.09857	0.1
283.05942	0.4
287.05463	0.7
295.06369	0.1
309.07529	0.1
310.69083	0.1
313.07101	0.5
325.09204	0.2
337.07056	0.3
363.08594	0.3
381.09711	0.4
397.09393	0.1
399.10440	0.3
406.06055	0.1
407.06641	0.1
415.10068	0.2
417.11792	0.3
433.11258	4.5
434.11566	0.2
448.07281	0.1
494.01550	0.1
511.56784	0.1
518.53271	0.1
579.16925	0.2
595.16473	6.4
596.16302	0.2
692.58612	0.1
903.31140	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	903.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01856	0.1
68.99473	0.1
68.99811	0.2
69.03419	2.3
70.06560	0.2
71.04623	0.1
71.04986	1.3
73.02904	0.5
75.04445	0.1
81.03407	0.9
81.82414	0.1
83.01321	0.1
83.04951	0.3
85.02892	9.9
86.01905	0.1
87.04450	0.3
91.03937	0.4
91.05430	0.2
97.02878	2.6
99.04476	0.5
103.03947	0.2
109.02858	0.8
111.04416	0.3
115.03923	0.4
117.03398	0.1
119.04928	0.8
121.02834	0.5
125.02352	0.1
127.03893	2.0
129.05469	0.8
133.04984	0.5
135.04384	0.3
139.03792	0.1
145.02896	0.6
145.04933	2.2
147.06499	0.3
153.01813	2.3
161.22652	0.1
163.03867	2.0
163.05888	0.5
171.02815	0.5
179.05481	0.2
203.06963	0.2
213.07634	0.1
215.27841	0.1
225.05392	0.3
229.04878	0.2
243.06476	0.2
247.06102	0.1
255.08675	0.2
270.05093	0.1
271.05960	100.0
272.06299	2.1
273.09857	0.1
283.05942	0.4
287.05463	0.7
295.06369	0.1
309.07529	0.1
310.69083	0.1
313.07101	0.5
325.09204	0.2
337.07056	0.3
363.08594	0.3
381.09711	0.4
397.09393	0.1
399.10440	0.3
406.06055	0.1
407.06641	0.1
415.10068	0.2
417.11792	0.3
433.11258	4.5
434.11566	0.2
448.07281	0.1
494.01550	0.1
511.56784	0.1
518.53271	0.1
579.16925	0.2
595.16473	6.4
596.16302	0.2
692.58612	0.1
903.31140	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	904.525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.6
67.05494	35.6
69.03419	3.7
69.07060	8.6
69.70322	0.8
71.04974	3.3
73.02892	2.4
73.47202	0.8
79.05479	31.3
81.03403	33.0
81.07045	36.3
83.04974	7.8
83.08605	13.9
85.02888	20.2
85.06529	1.6
91.03947	7.0
91.05466	29.3
93.07031	33.2
95.04955	16.6
95.08592	24.0
95.09208	1.1
97.02870	7.1
97.06503	2.8
97.10143	2.5
99.08090	1.2
105.04515	1.9
105.07014	17.9
105.07719	1.0
107.04967	3.6
107.08580	15.5
107.82784	0.6
109.06480	3.0
109.10136	11.2
111.04447	2.3
111.08055	6.0
112.59016	0.8
113.05991	2.0
115.05422	1.1
117.06995	4.2
119.08562	17.2
121.06514	0.9
121.10133	13.0
123.08076	1.8
123.11657	3.5
125.09631	1.4
127.03897	2.1
129.06972	5.1
131.08546	9.2
133.06474	1.8
133.10103	11.8
135.11679	7.1
137.09599	1.2
137.13237	1.1
142.07790	3.0
143.08527	0.8
145.04956	2.3
145.10101	4.4
147.08049	2.1
147.11653	10.3
149.09566	3.8
149.13278	3.4
157.10089	8.0
159.11656	2.2
161.13258	2.5
163.06029	2.2
163.11118	0.8
163.14792	1.0
165.12743	1.4
173.13268	2.4
175.11162	7.8
175.14774	1.3
187.14818	1.9
193.12196	22.4
211.13246	32.6
243.21039	1.9
249.14894	1.3
261.22098	8.0
267.15900	10.8
285.16919	44.7
286.17337	1.6
307.22650	1.0
317.24759	2.5
335.25757	66.5
336.26117	2.0
337.67719	0.7
417.31595	1.1
435.32632	1.5
453.33371	1.7
509.36447	1.1
511.10736	0.9
527.37225	15.7
529.63068	0.8
545.38293	100.0
546.38678	4.5
904.50403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	1.9
67.05493	48.0
69.03414	5.0
69.07053	8.9
70.57655	2.8
71.04975	3.5
73.02904	3.3
79.05477	36.1
81.03405	49.5
81.07043	43.0
83.04985	10.8
83.08606	18.6
85.02888	28.4
85.06509	1.9
91.03936	6.1
91.04929	2.8
91.05464	33.0
93.07025	31.2
95.04942	17.9
95.08590	28.5
97.02881	7.8
97.06515	3.6
97.10143	3.8
97.57085	1.4
99.08086	1.8
105.07008	24.8
107.04938	4.5
107.08578	20.2
109.06499	4.6
109.10127	10.5
111.04431	2.5
111.08032	9.9
113.05967	2.1
115.05460	2.1
117.06990	6.4
119.08552	21.3
121.10115	15.0
123.08067	2.1
123.11671	3.9
123.48510	1.4
127.03857	3.7
129.06993	10.2
131.08562	12.6
133.06445	1.9
133.10088	12.1
135.11664	7.8
137.09534	2.0
142.07721	2.4
145.04959	4.1
145.10124	4.5
147.11667	13.9
149.09572	6.1
149.13220	5.9
157.10075	10.8
159.11650	3.6
161.13208	2.7
163.05956	3.9
165.12701	2.5
173.13188	3.2
175.11157	10.0
187.14737	2.1
193.12199	33.9
211.13246	59.1
217.49670	1.4
243.21075	2.7
261.22141	10.1
267.15903	15.5
268.92786	1.3
285.16904	70.4
286.17279	1.7
301.25189	1.7
317.24631	2.9
335.25723	57.7
337.95081	1.6
435.32312	2.4
453.33282	2.5
527.37219	15.1
528.54974	1.7
545.38269	100.0
546.38403	4.3
720.19635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	4.8
69.03421	4.0
69.07061	0.9
69.26134	5.4
71.05013	0.9
73.02909	3.8
75.51263	0.8
79.05479	4.2
81.03423	3.2
81.07059	3.3
81.94936	0.8
83.04935	0.9
85.02902	5.4
91.03946	4.7
91.05484	3.3
93.07043	4.2
95.04997	1.6
95.08632	1.7
97.02869	4.9
98.63330	0.9
101.02371	2.2
105.07043	2.4
107.08611	1.6
109.10166	1.3
127.03899	2.0
135.42656	0.8
147.11736	1.8
154.01762	0.9
189.66997	0.9
203.05258	1.3
243.08432	1.4
347.09595	1.4
365.10333	1.3
405.13577	6.1
465.20862	5.6
519.29358	2.4
627.26080	6.3
681.34406	3.4
743.43579	1.6
776.66943	1.1
905.48486	100.0
906.48456	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	907.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91462	0.6
83.08611	2.4
100.07628	1.1
100.11245	9.5
101.11610	1.7
111.04431	1.3
128.07112	0.9
137.05966	1.4
144.30077	0.7
153.05289	1.2
163.03931	1.1
167.06998	1.0
169.04767	1.6
182.15355	4.0
183.15784	1.7
193.88844	0.5
209.16505	3.8
210.14920	4.1
210.16661	1.2
211.15179	1.5
213.07294	4.7
253.16701	0.6
255.08434	1.1
271.06104	1.1
285.09537	2.2
315.10648	0.7
327.28683	0.6
341.12323	0.7
357.11563	7.6
481.16895	2.3
509.17746	1.0
543.19116	0.8
573.19366	1.4
685.24738	2.5
719.89398	0.9
725.24255	1.0
729.23218	1.0
743.24774	1.3
745.26709	7.2
888.68152	1.6
889.67578	0.8
906.68481	13.6
907.31860	100.0
907.68213	4.5
908.31842	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	907.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	0.4
76.94768	0.3
81.03413	0.5
85.97578	0.3
92.90530	0.3
100.11242	3.5
101.11581	0.6
111.04378	0.5
121.02644	0.4
125.02134	1.0
128.07071	0.7
137.06012	0.7
138.02853	0.4
140.06966	0.3
145.08649	0.6
151.00064	0.4
153.05316	0.5
163.03923	0.6
167.03214	0.5
167.07063	0.4
169.04771	1.1
182.15492	1.1
183.15721	0.4
185.04233	0.8
209.16583	1.4
210.14952	2.2
210.16711	0.5
211.15349	0.4
213.07341	4.7
228.17795	0.4
255.08527	0.8
271.05939	0.4
285.09451	2.5
287.05597	0.4
297.09552	0.8
315.10529	0.7
315.33969	0.4
341.12079	0.8
357.11520	6.0
357.15756	0.4
410.13419	0.5
463.15717	0.5
481.16876	2.6
509.17285	1.2
547.92206	0.4
573.19312	1.2
615.20728	0.4
685.24463	2.1
701.24127	0.8
715.25311	0.6
729.23822	0.7
743.25519	1.4
745.26666	6.9
746.27148	0.6
799.53369	0.4
888.66626	0.5
906.69153	3.6
907.31873	100.0
908.32153	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	907.465
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	3.1
69.03428	3.4
71.01348	0.9
71.44826	0.9
73.02921	3.1
79.05504	2.3
81.03433	2.3
81.07056	2.8
81.96354	0.8
85.02921	3.9
87.80470	0.9
91.03954	3.3
93.07053	3.3
95.04954	1.2
95.08618	3.8
97.02843	3.9
99.04452	1.2
101.02396	1.5
105.07008	1.2
107.08613	2.7
109.10134	1.1
112.74399	0.9
117.07063	1.0
121.10186	1.3
127.03915	2.0
135.11717	2.6
145.10170	1.2
147.11745	0.9
163.11244	3.0
178.59860	1.0
193.63734	0.8
203.05237	1.2
218.76408	0.9
227.12871	3.5
243.08571	1.6
249.10965	5.7
305.13782	2.8
329.73785	1.1
347.09714	2.5
397.58862	1.0
405.13644	5.4
467.18918	10.7
511.23441	0.9
519.29443	3.8
629.24133	6.3
681.34265	4.6
745.40613	1.5
907.46448	100.0
908.45990	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	907.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	4.3
69.00237	0.5
69.03410	2.5
69.07049	0.6
69.13923	2.1
69.14332	0.9
73.02902	4.2
79.05499	3.4
81.03423	1.9
81.07050	4.3
85.02888	5.7
91.03971	2.7
91.05464	1.4
93.07022	4.1
95.04964	1.1
95.08595	3.2
97.02880	5.5
97.03398	0.5
99.04464	1.0
101.02377	1.1
104.38886	0.6
105.07057	1.2
107.08611	2.2
109.02843	0.8
109.10157	1.3
119.08652	1.0
121.10153	1.7
127.03934	1.7
131.08575	0.7
135.11716	1.6
136.12050	0.6
145.10062	0.9
163.11189	1.2
185.04388	0.6
203.05351	0.6
211.06116	0.5
227.12755	1.4
243.08502	2.0
249.10921	5.2
249.13162	0.6
275.22522	0.5
276.41202	0.5
305.13559	0.7
335.25824	1.4
347.09552	1.5
348.34485	0.6
365.10736	0.6
405.13614	5.4
413.24725	0.7
467.18909	3.6
503.37350	0.8
504.37802	1.3
519.29230	6.6
547.39069	0.7
548.39673	0.6
587.21814	0.6
611.41089	0.7
629.23859	3.0
681.34467	6.6
745.41486	1.1
907.46387	100.0
908.46777	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13766	0.7
63.76122	0.8
65.03936	0.9
67.05489	2.1
68.60867	0.7
69.03413	3.4
71.04980	31.0
71.44237	0.8
78.45094	0.9
79.05467	1.3
81.03392	4.5
81.76752	0.8
83.50854	0.7
85.02892	5.4
85.06533	8.8
91.05458	6.4
94.04219	1.2
95.04967	5.3
97.02883	3.8
99.04432	1.9
103.03924	1.2
103.05455	3.3
103.43743	0.8
105.07011	4.5
107.04933	2.8
109.02853	3.2
109.06457	1.2
109.10011	0.9
113.06004	7.3
113.70540	0.8
115.05404	1.3
116.84933	0.7
119.04929	4.0
119.08564	0.9
121.02801	1.1
121.06498	2.8
122.03629	2.8
123.04450	0.9
127.03914	3.5
127.07538	19.7
128.06155	1.0
129.06984	3.3
131.04918	5.2
131.07027	6.8
131.08560	2.7
133.02808	3.5
133.06476	1.4
133.10115	1.2
137.05952	38.2
137.09622	0.9
141.05409	1.2
141.06999	2.1
143.04930	0.8
144.05672	0.9
145.08571	100.0
146.07230	0.9
146.08939	1.8
147.04410	2.8
149.06001	3.9
151.03894	3.1
151.07549	8.2
153.05414	1.4
153.07037	0.9
155.07030	3.4
155.08455	0.9
157.06432	3.0
158.07259	0.8
159.08037	2.0
161.05946	23.2
161.09583	5.8
162.06721	0.8
163.07487	5.8
163.11118	1.0
165.05481	1.0
165.06870	1.1
165.09113	0.9
167.07039	0.9
167.08580	1.3
169.06499	1.9
171.08003	1.4
173.06041	1.0
173.08051	3.0
174.06734	2.3
175.07533	9.7
176.08014	0.8
177.05525	1.4
177.09070	3.1
179.06992	1.6
181.06389	0.9
182.07228	1.3
185.09627	1.1
186.06764	1.2
187.06033	1.3
187.07549	5.0
189.09096	13.1
191.06989	2.9
191.09033	6.1
195.08047	1.3
197.05962	1.5
198.06656	1.3
199.07579	2.0
201.09067	3.6
203.06923	4.5
205.08582	2.0
207.08147	0.9
207.10107	13.4
210.06740	1.0
211.07541	1.3
213.09090	4.2
215.07085	2.5
215.10716	1.2
217.08580	2.0
219.08044	2.5
219.10089	16.0
221.06044	1.7
223.07417	0.8
225.09093	2.7
227.10609	1.2
229.08606	1.9
233.08049	3.5
237.09050	2.7
241.08508	1.8
243.10085	5.0
247.07539	1.9
248.08221	1.4
249.11292	1.0
251.06905	1.6
251.10651	1.7
253.08647	4.5
255.06358	2.0
255.10223	1.9
257.07916	3.7
257.10242	2.5
261.09128	1.3
265.08582	4.5
267.10315	1.0
269.07990	2.2
270.08722	1.0
273.11340	4.3
275.11264	5.7
276.07486	1.4
277.08563	2.1
277.12369	0.9
279.10211	3.0
281.07846	1.1
283.10049	0.9
285.11099	2.3
289.08481	1.2
291.10202	2.6
293.10498	1.6
296.10352	1.5
297.11264	8.9
299.11325	1.2
305.12018	1.5
307.09518	1.5
309.11145	3.7
310.11688	1.4
311.12738	4.1
313.14240	1.0
315.12238	1.2
317.12225	2.8
321.11377	0.9
322.12027	1.0
323.12714	3.0
325.10629	1.0
325.14188	1.5
327.12207	1.4
329.13818	11.8
330.14517	1.0
331.15466	2.8
335.13019	4.3
337.14252	1.4
339.12360	0.9
341.13870	5.6
343.15396	1.5
349.14264	3.0
353.13452	1.3
354.14603	1.5
355.15381	3.5
359.14862	1.4
367.15341	8.7
379.15198	5.4
397.16418	28.3
398.16730	1.1
479.20685	6.6
491.20517	2.2
509.21402	2.4
521.21344	1.6
807.30603	0.9
908.31641	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	909.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.9
69.03420	3.8
69.07036	0.7
69.26213	2.0
70.06563	0.6
71.01340	0.7
71.04984	0.5
73.02902	3.9
74.09409	0.4
79.05475	2.2
81.03412	2.4
81.07050	2.9
83.04994	0.4
83.08611	0.6
85.02890	8.0
87.04450	0.5
91.03936	4.3
91.05492	1.7
93.07024	2.8
95.04952	0.9
95.08574	2.2
97.02882	6.4
99.04443	1.3
103.03929	0.5
105.07028	1.8
107.08599	1.1
109.02878	1.1
109.10144	0.9
110.18159	0.4
117.06977	0.5
119.08600	0.6
121.10152	0.9
123.11783	0.4
124.93756	0.5
127.03914	1.8
129.07056	0.4
131.08563	0.8
133.10054	0.8
135.11711	0.7
141.53526	0.4
145.05002	0.6
145.10091	0.5
147.11674	0.8
185.04160	0.9
189.21570	0.4
202.40179	0.4
203.05247	0.9
243.08299	2.3
251.12840	0.6
301.59116	0.4
307.15210	0.6
335.25897	0.7
347.09299	2.2
365.10599	1.1
375.18802	0.5
405.13577	5.7
405.18637	0.5
436.43533	0.5
469.20364	3.9
477.19641	0.7
519.29315	4.5
631.25513	2.7
681.34485	5.6
747.42596	1.4
909.47900	100.0
910.48291	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	909.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.9
69.03420	3.6
70.57365	0.9
73.02924	3.2
79.05500	2.6
81.03422	3.1
81.07055	1.0
83.04995	0.6
83.52006	0.6
84.24935	0.6
85.02891	6.6
91.03958	3.8
91.05470	2.0
93.07046	2.5
95.04979	1.1
95.08618	1.5
97.02878	5.4
97.10159	0.7
101.02341	1.4
101.10130	0.7
105.07037	1.2
107.08604	0.9
119.08562	1.1
121.10148	1.0
127.03944	2.1
145.05016	0.9
193.12329	0.8
225.53407	0.7
243.08495	1.6
251.12489	0.7
347.09546	2.6
363.09012	1.1
405.13504	5.0
407.23163	0.6
469.20334	6.5
519.29291	3.3
598.12177	0.6
631.25525	6.5
681.34039	3.9
741.72241	0.9
747.42603	1.2
909.47919	100.0
910.48633	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	912.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89035	0.8
65.03913	1.2
69.03397	1.7
73.02925	0.9
79.05473	1.4
81.03407	3.2
83.04960	1.3
85.02882	2.1
87.08626	0.9
91.05464	2.9
94.04176	2.3
95.04952	1.3
96.42434	0.8
97.02241	0.8
97.02884	3.2
98.22607	2.0
103.05460	3.6
105.07040	3.0
107.04951	2.7
109.02865	3.3
111.04436	2.0
115.03927	1.4
115.05439	2.6
117.03373	2.9
117.06972	0.9
119.04932	2.1
120.31367	0.9
121.06484	2.6
122.03671	4.2
127.03915	3.0
131.04912	5.2
133.06464	2.0
137.05954	100.0
138.06285	1.6
141.06949	1.5
143.04854	4.7
145.02792	6.6
145.06461	1.9
146.03661	1.7
147.04379	4.2
149.05937	4.9
151.03876	5.2
151.04881	0.9
151.07568	4.3
154.72737	1.0
155.05019	1.0
157.06451	1.5
159.08037	1.3
160.05180	4.6
161.05956	34.3
162.06754	0.8
163.07510	3.1
165.05556	1.3
165.06978	1.8
169.06465	2.0
171.04378	1.2
172.05217	1.0
175.07513	25.6
177.05479	12.6
177.09132	1.1
179.07001	35.2
187.07457	10.4
187.08775	1.0
188.04642	1.9
189.05330	1.2
189.09045	2.2
190.62225	0.8
191.06952	8.0
197.05945	3.6
199.07497	1.0
201.05429	1.3
201.09056	3.5
203.06999	61.3
204.07307	1.4
205.08521	5.8
208.96249	0.9
211.07437	1.7
213.05486	1.1
215.07014	8.2
217.08539	1.7
221.05916	2.8
221.08084	4.3
224.08232	1.0
225.05533	0.9
225.09091	3.1
227.06949	1.7
229.08583	7.8
233.08072	5.6
235.07417	1.4
235.09561	3.0
237.09074	1.7
238.06329	1.2
240.07825	1.5
241.08511	1.5
245.07979	1.8
247.09731	1.5
249.09001	1.6
253.08571	4.0
257.08072	11.8
263.09137	2.2
265.08527	3.2
266.09464	1.0
267.10184	1.9
269.07938	1.1
271.09598	1.9
275.09067	6.3
277.08508	2.0
283.09573	4.4
285.11148	9.3
287.09161	1.3
289.08667	1.3
291.10007	1.0
293.10120	1.3
295.09512	2.8
297.11234	5.9
307.09637	1.5
309.11118	3.8
321.11154	2.2
323.11920	1.9
325.10617	2.2
327.12222	14.7
335.73901	1.0
337.10776	1.4
339.12112	2.7
341.13892	4.9
347.11658	0.9
351.12085	1.7
355.11896	1.0
357.13318	12.3
365.12323	1.8
435.14407	2.6
453.15411	7.1
465.15500	1.3
471.16357	6.8
483.16293	1.4
489.17413	3.6
501.17932	1.2
779.48181	1.0
847.32135	1.1
859.30688	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	913.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.6
69.53045	2.1
70.06584	3.5
72.08167	0.7
81.03374	0.6
81.37434	0.5
91.05463	0.8
91.89750	0.6
97.02905	0.7
118.06567	0.6
120.06625	1.0
125.02133	0.7
136.07523	0.7
137.06018	1.7
143.93933	0.6
146.06039	1.2
151.07544	0.8
153.05295	1.6
159.04187	0.8
160.58124	0.6
161.05998	0.5
169.04744	1.4
175.03584	3.6
204.07585	0.7
205.00064	0.7
213.07397	3.9
215.56001	0.6
252.11336	0.7
255.08533	1.6
258.31631	0.6
260.10541	0.7
285.09601	1.2
310.19894	0.5
316.05072	0.6
357.11459	5.1
358.13824	0.9
418.79510	0.6
463.15860	0.7
477.17142	1.2
481.17105	0.7
509.16400	0.8
523.17609	6.1
537.19385	7.2
549.19958	0.7
579.21912	2.6
715.25079	2.7
853.31573	0.9
913.34369	100.0
914.34479	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	913.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89012	0.7
69.09681	1.4
69.10090	3.5
70.02943	2.2
70.06582	100.0
72.08146	16.4
81.03400	1.0
85.02885	0.8
85.30772	0.7
87.05586	1.7
88.03979	5.4
89.03906	0.7
91.05465	12.6
95.04975	1.7
97.07668	1.0
98.06052	1.4
103.05477	2.5
105.03378	1.0
106.06569	0.7
107.04950	1.8
108.94732	0.6
110.02421	1.1
110.26264	0.6
115.05463	0.8
115.08729	0.9
116.04986	1.1
117.03415	0.9
117.05750	1.1
118.06524	25.3
119.04948	3.0
119.07298	1.4
120.08084	6.1
123.04417	0.8
125.07100	15.9
127.08685	0.8
130.06540	2.0
131.04916	1.1
133.02953	0.8
133.06541	0.7
134.05975	6.1
135.06808	1.1
136.07564	13.3
136.08604	1.1
137.05978	4.8
137.07115	2.5
141.03008	0.7
142.06104	1.3
144.08087	0.7
145.02835	1.0
145.06488	1.0
145.08626	0.8
146.05983	52.9
147.06471	0.7
148.07597	0.9
149.05960	0.8
149.07111	0.8
150.05527	1.4
150.06647	1.1
158.05930	1.3
161.06013	2.3
162.05452	8.4
163.04021	0.7
163.08694	1.5
165.08986	2.8
167.08232	3.0
171.07649	1.7
172.07478	1.0
172.11162	1.6
173.05917	1.1
173.07213	1.1
174.05467	1.4
175.07436	1.3
176.10724	1.3
177.05383	1.1
177.06760	0.8
177.09056	1.1
182.08160	2.1
185.09190	11.3
187.12283	1.6
188.07069	2.6
189.06647	2.7
191.08148	0.8
195.07726	3.1
196.05981	6.8
196.07825	0.6
196.08563	0.8
197.10802	1.0
198.05470	1.5
206.11725	0.7
207.08060	1.1
211.09435	0.8
213.06909	1.3
213.08653	4.5
215.08105	1.2
216.06612	3.2
217.06158	1.8
217.13329	2.0
224.11903	1.6
225.10208	4.0
226.13414	0.8
231.07643	1.0
232.10811	2.8
233.09279	1.2
233.12863	1.7
234.08983	1.5
234.11244	2.2
236.10667	0.9
241.08731	0.7
243.11366	1.9
246.09059	1.0
250.11992	1.9
252.11443	6.5
254.12825	6.6
259.07092	3.8
260.10266	18.1
260.12845	1.3
261.09891	0.5
261.12308	11.1
268.14444	0.8
269.12744	0.8
271.05988	5.9
276.09744	7.4
280.10901	2.5
281.09161	2.1
281.14935	1.4
286.10709	4.2
289.11899	1.0
294.12234	1.5
296.13910	1.2
297.12198	1.1
298.11740	3.9
302.07550	1.1
307.09592	0.9
307.12732	3.8
314.14978	4.4
322.11765	1.1
323.10260	2.0
333.12436	0.7
340.12946	7.2
357.15128	0.8
358.13910	37.8
359.14529	1.1
375.16638	5.5
378.14395	1.9
385.17587	3.8
395.17175	0.8
421.14914	2.0
472.18039	0.9
475.19827	1.0
520.21771	1.5
556.24078	1.3
572.22015	0.8
589.24023	1.0
590.22418	2.6
591.24304	1.2
607.24677	3.3
616.19940	1.3
633.22894	5.8
684.26703	0.8
701.29138	4.7
772.31494	1.0
798.34113	3.1
799.29639	1.6
878.33325	1.7
895.35846	1.0
896.21942	0.7
896.34906	8.6
913.37006	17.5
913.56329	1.2
913.63477	1.5
914.36566	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	913.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	8.4
68.25309	1.1
69.03416	19.2
69.07058	6.3
71.01328	1.9
71.04983	37.9
73.02909	13.7
75.04462	8.6
78.80471	0.9
79.05094	1.1
79.05454	5.4
81.03400	2.4
81.07043	17.3
83.04966	21.7
83.08604	3.6
84.72511	0.9
85.02892	100.0
87.04450	3.7
87.12408	1.1
91.05455	5.3
93.07037	12.2
95.04977	3.7
95.08591	26.5
97.02880	30.0
97.06477	1.3
97.10190	1.2
98.23415	3.2
99.04426	2.7
101.05972	1.3
103.03930	1.8
105.07006	14.8
107.08578	19.6
109.02881	1.7
109.06538	1.6
109.10139	20.7
111.04434	13.1
111.08064	13.1
113.06018	1.3
114.56845	1.1
115.03907	23.7
117.07024	1.9
119.08567	23.7
121.10133	19.5
123.11674	5.3
126.56673	0.9
127.03878	5.8
129.05460	34.8
131.08543	5.0
133.04941	6.0
133.10112	19.3
135.11665	9.6
137.13261	1.2
139.03885	3.6
139.11209	2.1
145.04936	5.5
145.10112	11.6
147.06487	20.8
147.11668	16.9
149.13235	23.4
153.09106	2.3
157.04967	1.4
157.10098	2.2
159.06477	1.5
159.11678	11.6
161.13234	14.0
163.06001	2.1
163.14790	10.8
165.07585	1.6
169.04965	2.1
171.06557	1.5
171.11671	1.9
173.13203	7.6
175.14755	13.4
177.16351	11.3
185.13316	2.5
187.14809	10.1
189.16342	33.2
191.17886	5.4
199.14723	2.1
201.16342	23.9
202.16763	1.1
203.17931	30.8
203.19832	1.6
205.15878	2.6
205.19357	2.0
207.13956	1.4
207.17401	10.3
213.16328	5.2
215.17920	16.7
217.19475	3.1
219.17377	3.9
221.19000	4.0
225.07547	12.8
225.16376	1.6
227.17914	2.3
229.19449	4.2
231.17303	1.1
235.16852	2.9
239.17918	1.5
241.07005	1.4
241.19632	2.9
243.08545	8.2
243.20972	2.1
247.16887	5.7
249.18486	3.2
253.19531	1.5
255.08633	2.2
255.21115	1.0
259.08087	2.3
261.09671	2.8
261.18451	2.6
267.21130	1.3
273.10007	1.5
277.09131	1.1
279.10754	15.5
281.22662	1.8
283.24191	2.9
295.10016	1.3
299.19849	1.5
309.11761	6.5
327.23160	1.4
329.24716	1.7
343.26279	2.0
351.30322	1.8
369.14310	1.2
391.33542	11.1
397.31058	6.6
409.34583	24.0
411.36182	3.5
425.33997	5.9
427.35745	1.6
435.32230	1.8
437.34091	80.1
438.34381	3.4
455.35126	47.2
456.35516	2.4
583.39612	2.2
616.51361	1.3
783.85126	1.2
878.63782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5141
Annotation	Macranthoside A
Peak:m/z	Relative Intensity
67.05484	5.2
69.03417	20.5
69.07060	3.6
71.01360	2.7
71.04982	25.5
73.02905	15.3
75.04463	5.5
79.05471	2.9
81.03394	3.6
81.07040	9.0
83.04967	23.0
83.08607	2.4
85.02888	100.0
86.03233	0.7
87.04459	3.8
91.03922	1.9
91.05468	3.1
93.07022	6.4
95.04947	2.8
95.08589	16.8
97.02876	30.6
97.10159	0.9
99.04419	3.3
101.05994	1.1
103.03899	1.0
105.07010	7.7
107.08564	10.3
109.02858	4.1
109.10135	11.5
109.39708	0.5
111.04427	18.3
111.08064	7.0
113.02375	1.1
113.05999	1.7
115.03905	19.8
117.07017	1.1
119.08554	11.7
121.10120	10.2
123.04436	0.9
123.11696	3.1
125.05953	0.7
127.03901	10.9
129.05457	27.6
131.08521	2.9
133.04945	8.5
133.10109	11.4
135.11671	5.6
137.05977	0.9
137.13283	0.8
139.03902	6.2
139.11148	1.1
145.04938	10.7
145.10100	6.2
147.06493	16.7
147.11649	10.9
149.13243	12.7
151.03928	1.5
153.05490	1.0
157.04942	1.7
157.10109	1.5
159.06488	0.9
159.11659	5.9
161.13245	9.5
163.06001	4.3
163.14804	6.8
165.05429	1.0
165.07558	1.4
169.04968	2.3
171.06516	1.5
171.11673	1.1
173.13237	4.4
175.06015	0.6
175.14777	7.7
177.16348	7.5
179.05573	0.7
183.11649	0.6
185.13351	0.6
187.06079	1.2
187.14774	5.5
189.16345	21.1
189.17973	1.1
191.17894	3.0
199.06036	0.7
199.14798	1.3
201.16341	14.4
202.16760	0.6
203.17914	18.3
203.19824	1.0
205.15887	2.4
205.19534	1.2
207.06451	1.0
207.17403	6.5
213.07671	0.6
213.16364	2.1
215.17921	7.5
217.19528	1.7
219.17439	2.0
221.15355	0.7
221.19012	2.2
222.55864	0.7
223.05978	1.3
225.07555	9.1
227.17921	1.3
229.19545	2.5
235.16960	1.7
237.07544	1.1
241.07082	1.5
241.19485	1.8
243.08588	7.8
243.21098	2.0
247.16766	3.1
249.18523	2.2
251.31769	0.7
253.19633	0.8
255.08661	2.5
255.20961	1.0
259.08087	1.5
259.16879	1.1
261.09558	3.4
261.18457	2.6
273.09610	3.0
279.10736	13.1
281.22406	0.7
283.24216	1.1
287.20117	0.8
295.10242	1.6
301.21503	0.6
309.11743	4.6
309.25479	0.6
329.24783	2.2
343.26376	1.1
351.30362	0.8
387.62341	0.6
391.33408	7.1
397.31030	3.4
409.34613	15.0
410.35168	0.7
411.36209	1.3
425.34076	3.7
427.35388	1.1
437.34082	45.0
438.34586	1.3
455.35104	27.0
456.35452	1.2
583.39587	1.6
913.46692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.3
68.99802	0.5
69.03411	0.9
69.32246	1.0
71.01336	0.6
71.04970	0.3
73.02885	1.0
74.25438	0.2
81.03401	1.9
83.04983	1.0
85.02893	4.2
91.05470	7.1
95.01349	0.4
95.81117	0.2
97.02871	0.7
105.03367	0.3
106.06676	0.2
107.04945	0.2
109.02851	1.3
111.00787	0.6
111.04427	0.4
113.02383	1.0
119.04930	16.9
120.05267	0.2
121.02854	3.4
127.03900	0.8
129.05426	0.5
131.03383	0.8
133.02853	0.7
135.04391	0.5
137.02341	0.5
141.01787	0.5
145.02760	0.2
145.06461	0.2
147.04390	81.4
148.04730	0.9
153.01810	3.3
157.06490	0.4
159.02856	0.3
163.03880	2.2
165.01730	1.1
165.05466	3.4
183.02876	0.9
185.05916	0.5
203.07030	0.3
213.05458	1.0
230.05745	0.3
231.06505	0.7
241.04892	0.9
258.05197	1.2
259.06085	0.6
269.04315	0.3
271.05988	4.9
287.05460	100.0
288.05811	2.4
291.08591	3.4
299.05374	0.3
309.09604	2.6
325.09189	0.4
329.06494	0.3
403.07828	0.2
433.10922	1.1
447.07797	0.3
463.08472	2.0
590.10620	0.2
609.13385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01855	0.3
68.99776	0.4
69.77003	0.2
70.33562	0.1
71.01355	0.3
71.04629	0.1
71.04987	1.6
75.04460	0.1
81.03436	0.1
83.04970	0.6
85.02896	2.0
89.03900	0.5
91.05457	0.3
95.04942	0.1
97.02874	0.2
98.23372	0.1
100.70535	0.1
103.05440	0.1
107.04922	0.2
111.00834	0.1
111.04433	0.2
115.05434	0.1
117.03366	0.4
119.04926	1.3
121.02858	1.0
123.04394	0.1
127.03870	0.1
129.01822	0.1
129.05449	0.5
129.06955	0.1
131.04890	0.2
133.02846	0.1
135.04390	1.1
137.02336	0.2
141.01808	0.1
145.02826	1.6
145.06448	0.1
147.04362	0.7
148.05190	0.5
149.05872	0.2
153.01802	3.9
155.04910	0.1
157.06424	0.2
159.04453	0.1
161.05962	0.2
163.03880	9.3
164.04208	0.1
169.06313	0.1
171.02899	0.7
172.05151	0.1
173.05922	0.2
175.03847	0.5
176.04674	0.2
177.05440	0.2
181.04877	0.1
183.04295	0.1
185.05945	0.3
187.03845	0.2
189.05482	0.3
190.06265	0.2
191.03346	0.3
193.04898	0.1
200.04651	0.3
201.05473	0.4
202.02562	0.2
203.06978	0.3
205.04965	0.1
211.03902	0.1
213.05415	0.3
215.07083	0.1
217.04898	0.2
218.05717	0.3
219.06493	0.2
225.05376	0.5
228.04239	0.1
229.04959	0.7
231.06506	0.3
241.04919	0.1
243.06509	0.2
246.05206	2.6
247.06046	0.4
253.04756	0.1
257.04398	0.7
259.06070	0.4
271.05960	100.0
272.06296	2.5
273.06604	0.1
275.05539	0.3
277.06998	0.2
285.03870	0.5
286.04672	0.1
287.05472	2.5
288.05792	0.1
302.72568	0.1
303.04871	0.5
313.06912	0.1
321.06000	0.6
339.07050	4.8
340.07120	0.1
377.06458	0.1
391.08286	0.1
405.05981	0.2
417.11407	0.1
419.07617	0.5
433.11359	0.9
447.06989	0.4
609.12842	0.4
771.17371	1.1
821.89136	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	917.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64268	0.1
67.01857	0.2
68.99815	0.2
69.03416	1.4
69.68855	0.1
71.01366	0.1
71.04630	0.1
71.04989	1.8
71.41051	0.1
73.02898	0.2
75.04477	0.1
81.03415	0.6
83.04974	0.4
85.02895	6.6
87.04433	0.1
91.03938	0.1
91.05464	0.2
95.01296	0.2
97.02880	1.5
99.03842	0.1
99.04451	0.3
107.05002	0.1
109.02854	0.6
111.04423	0.3
115.03960	0.1
119.04924	1.0
121.02830	0.6
125.02398	0.1
127.03899	1.1
129.01785	0.1
129.05473	0.5
133.04941	0.2
137.05988	0.1
141.01804	0.7
145.02844	0.6
145.04927	1.2
147.06467	0.2
153.01813	2.7
157.06641	0.1
159.02834	0.1
163.03885	0.5
163.06018	0.2
171.02867	0.4
179.05484	0.1
191.73787	0.1
203.07053	0.2
213.67726	0.1
225.05421	0.3
229.04921	0.2
243.06511	0.2
247.06021	0.2
271.05963	100.0
272.06305	2.3
283.05856	0.1
295.05975	0.1
313.07028	0.3
337.06934	0.1
381.09616	0.1
403.07672	0.1
415.10382	0.1
433.11243	1.4
447.07904	0.2
609.14423	9.8
610.15039	0.5
755.20197	0.5
787.04633	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	917.2702
Annotation	Kaempferol 3-ferulylrobinobioside-7-rhamnoside
Peak:m/z	Relative Intensity
68.99780	0.2
69.03414	1.1
70.06574	0.1
71.04979	4.2
71.44604	0.2
72.08108	0.1
74.09861	0.1
75.04473	0.2
78.04703	0.3
81.02946	0.2
81.03400	3.0
83.04962	1.7
85.02889	5.6
89.03896	5.1
91.05451	0.3
93.07024	0.1
95.04943	0.2
97.02889	0.4
99.04434	0.3
103.05477	0.2
105.03384	0.2
106.04156	0.2
107.04948	0.1
107.33073	0.1
109.02863	1.1
111.00800	0.1
111.04433	1.1
117.03356	15.0
118.03650	0.1
119.04912	0.2
121.02850	1.3
121.06507	0.2
124.05195	0.2
125.02312	0.1
127.03889	0.6
129.04549	0.2
129.05453	0.8
131.04871	0.2
133.02821	0.4
134.03612	1.0
135.04398	1.1
137.02345	0.3
137.05969	0.4
145.02818	43.7
146.03131	0.6
147.04405	0.4
149.05949	6.0
153.01779	0.9
153.05438	0.2
160.47115	0.1
162.03091	0.2
163.03900	0.5
165.01830	0.5
175.07646	0.1
177.05431	100.0
178.05759	1.3
183.02910	0.3
186.05466	0.4
189.05539	0.1
189.09100	0.1
195.06480	1.4
213.05421	0.4
231.06512	0.3
241.04951	0.2
243.10114	0.2
258.05255	0.3
269.07980	0.2
287.05447	28.1
288.05704	0.7
299.05402	0.5
305.10141	0.5
311.05374	0.2
321.09619	3.9
323.11243	0.4
329.06384	0.9
339.10669	6.4
353.06351	0.5
379.07947	0.2
397.08893	0.9
415.10184	0.5
433.11240	1.5
440.97305	0.1
449.14374	0.3
451.14438	0.1
459.76419	0.1
917.33154	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	917.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09720	0.5
98.23476	1.4
102.62093	0.4
159.04253	1.1
161.05965	0.5
171.73360	0.4
173.05811	1.0
174.06534	0.5
175.03735	0.9
175.07567	0.4
219.06355	1.2
271.06058	0.5
286.24487	0.5
363.10751	0.8
369.13129	0.9
375.10696	0.6
379.11423	4.5
415.13858	2.0
559.17920	1.8
683.23151	0.6
701.51031	0.6
724.66742	0.5
916.66693	2.2
917.31891	100.0
918.32269	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	919.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99779	0.5
69.03064	0.1
69.03420	1.6
69.19004	0.4
71.04977	0.8
73.02904	0.2
77.03893	0.1
79.05485	0.8
81.03407	3.5
83.04969	1.6
85.02393	0.2
85.02891	4.2
87.04449	0.2
89.03902	5.1
91.03972	0.2
91.05460	0.1
95.04954	0.5
97.02879	1.5
99.04436	0.4
105.03381	0.2
107.04942	2.0
107.07349	0.1
109.02866	1.6
109.20370	0.1
111.00794	0.5
111.04420	1.1
117.03365	6.7
118.03692	0.3
121.02850	2.4
121.03814	0.2
127.03876	1.0
129.05437	0.2
133.02817	0.4
135.04393	14.9
136.04701	0.2
137.02342	0.7
145.02827	13.3
145.04848	0.5
146.03198	0.7
147.04384	0.4
148.60193	0.1
149.05960	0.3
153.00616	0.2
153.01808	3.3
153.03049	0.2
153.18661	0.1
157.06462	0.4
163.03874	92.4
164.04211	1.3
165.01807	1.8
171.04391	0.2
175.03787	0.1
177.03896	0.2
177.05438	3.6
178.05820	1.5
179.05923	0.3
181.04926	3.8
183.02881	0.8
185.05965	0.5
186.05447	0.1
189.05458	0.1
203.07036	0.1
213.05443	1.3
231.06419	0.8
241.04878	0.7
241.71501	0.1
249.56572	0.1
258.05228	1.0
259.06006	0.5
271.05957	0.2
273.07471	0.4
287.05447	100.0
288.05743	2.9
289.06104	0.2
291.08438	0.2
299.05652	0.2
307.08084	2.7
309.09677	0.2
325.09119	4.0
329.06409	0.4
339.10751	0.1
340.11154	0.1
353.78702	0.1
389.08887	0.1
397.09164	0.2
415.10056	0.1
417.11102	0.2
433.11194	0.2
435.12613	0.4
449.10553	0.5
549.31012	0.1
582.10968	0.1
759.46240	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	919.2478
Annotation	Kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]
Peak:m/z	Relative Intensity
68.99787	0.4
69.03419	1.5
69.15076	0.9
71.04968	0.6
71.07748	0.2
73.02892	0.3
79.05472	0.7
81.03402	3.1
83.04980	1.4
85.02890	4.0
87.04414	0.2
89.03901	5.2
89.04454	0.2
95.04948	0.5
97.02871	1.5
99.04423	0.5
105.03360	0.4
107.04934	1.5
109.02863	1.2
111.00759	0.4
111.04439	0.9
117.03360	6.5
118.03654	0.2
121.02853	2.0
123.04427	0.2
127.03893	1.0
133.02826	0.5
135.04393	13.2
136.98056	0.2
137.02293	0.7
145.02827	11.7
145.04884	0.5
146.03149	0.8
147.04364	0.5
149.05917	0.4
151.03848	0.2
153.01796	2.6
163.03874	85.9
164.04184	1.4
165.01813	1.4
173.05823	0.2
177.05457	4.7
178.05804	1.8
179.05901	0.4
181.04922	3.2
183.02843	0.7
185.05904	0.3
191.03252	0.2
203.06903	0.2
213.05386	1.2
231.06461	0.6
241.04866	0.5
258.05261	0.9
259.05933	0.4
269.04614	0.2
271.05951	0.6
273.07349	0.4
287.05444	100.0
288.05795	3.0
289.06189	0.7
299.05612	0.4
307.04791	0.3
307.08093	3.3
321.09851	0.2
325.09140	4.2
345.38062	0.2
417.11795	0.2
433.11078	0.3
435.12793	0.4
449.10629	0.8
604.86230	0.2
613.70764	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	919.2491
Annotation	Kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]
Peak:m/z	Relative Intensity
65.03930	0.2
68.99784	0.3
69.03416	1.5
69.90995	0.2
69.91334	0.1
71.04977	1.0
73.02901	0.3
74.20857	0.1
75.60409	0.1
79.05473	0.8
81.03401	3.0
83.04958	1.5
85.02889	3.2
85.03403	0.2
87.04437	0.1
89.03898	6.0
91.03938	0.1
95.04963	0.5
97.02879	1.0
98.23411	0.1
99.04462	0.2
105.03371	0.1
105.04510	0.2
107.04932	1.8
109.02856	1.2
111.00790	0.3
111.04414	0.6
117.03353	6.6
119.04908	0.1
121.02838	1.8
127.03894	1.0
129.05438	0.4
133.02829	0.3
135.04387	15.3
136.04755	0.1
137.02327	0.8
145.02818	11.8
146.03200	0.2
147.04295	0.5
153.01801	1.7
157.06418	0.2
163.03867	100.0
164.04192	1.3
165.01776	0.9
171.04376	0.1
180.06053	0.1
181.04916	4.2
183.02863	0.4
185.05888	0.2
197.06013	0.1
197.09335	0.1
201.05528	0.1
213.05437	0.6
229.04987	0.2
231.06435	0.4
241.04865	0.5
247.05997	0.1
257.04443	0.2
258.05219	0.4
259.06039	0.2
271.05820	0.2
273.07596	0.4
287.05429	47.5
288.05743	1.1
291.08585	0.2
299.05417	0.1
303.04910	4.8
307.08044	3.6
309.09613	0.1
315.04822	0.2
325.09106	4.9
329.06479	0.3
345.05991	0.2
410.90298	0.1
413.08749	0.2
431.09625	0.2
433.11136	0.6
435.12689	0.3
449.10968	0.7
724.62756	0.1
861.14087	0.1
892.56329	0.1
950.36487	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	919.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01852	0.4
68.99466	0.1
68.99770	0.4
69.03418	3.9
69.03793	0.2
71.44714	0.1
76.00743	0.1
79.05478	0.3
81.03397	0.3
85.02887	1.0
89.03896	2.3
91.05466	0.3
95.04939	0.2
97.02872	0.7
99.04448	0.2
107.04930	0.7
109.02856	0.3
111.00756	0.1
115.57401	0.1
117.03354	2.6
119.04916	1.5
121.02842	0.7
123.04391	0.1
127.03889	2.1
129.01793	0.1
134.96715	0.1
135.04390	6.4
145.02820	6.7
153.00806	0.1
153.01788	4.2
163.03868	61.1
164.04161	0.7
171.02841	0.9
173.05876	0.1
175.03844	0.1
181.04915	1.9
181.06386	0.1
187.03906	0.1
197.06038	0.1
201.05397	0.1
203.07016	0.3
215.78009	0.1
225.05376	0.6
229.04953	0.5
243.06424	0.3
247.05974	0.3
271.05945	100.0
272.06271	2.0
283.05905	0.2
287.05411	0.2
307.08066	3.4
313.07092	0.2
325.09106	9.2
326.09396	0.2
415.10019	0.2
433.11237	3.1
434.10968	0.1
487.14362	0.1
652.31348	0.1
757.19775	0.1
843.42511	0.1
919.24579	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	919.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99773	0.3
69.03419	3.3
69.20539	0.9
71.04985	2.7
73.02901	0.8
73.46787	0.2
81.02978	0.1
81.03407	1.6
83.04922	0.6
85.02893	15.1
87.04427	0.6
91.03922	0.3
97.02876	3.7
99.04419	0.5
107.04894	0.2
109.02865	1.0
111.04399	0.6
115.03882	0.2
121.02192	0.1
121.02864	1.3
125.02310	0.2
127.03897	2.4
128.22664	0.1
129.05472	1.0
133.02802	0.3
133.04909	0.6
137.02280	0.4
145.04944	3.0
147.04396	0.2
147.06433	0.6
153.01781	1.8
157.06361	0.2
163.05939	0.4
165.01779	0.9
179.05573	0.2
183.02809	0.6
185.05937	0.3
213.05426	0.6
231.06474	0.5
241.04854	0.5
255.08534	0.4
258.05258	0.6
259.06287	0.2
269.04114	0.2
273.82388	0.2
287.05444	100.0
288.05804	2.5
303.04880	0.4
329.06512	0.4
449.10730	26.4
450.11002	0.8
573.42151	0.2
595.16278	0.2
611.15704	0.3
827.06329	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	919.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42516	0.2
81.07038	0.3
89.51907	0.2
147.04381	0.4
155.03142	0.3
201.03616	1.2
203.05269	0.8
245.06349	0.3
275.07394	1.3
333.07870	28.8
334.08453	1.2
334.11737	0.3
335.03522	0.4
335.09427	22.5
471.21939	100.0
472.22296	3.3
524.36432	0.3
550.86865	0.3
919.33020	0.6
919.69324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	62.5
67.31095	1.9
69.03409	2.6
69.07060	14.0
69.11823	5.1
69.12222	12.1
71.04980	19.3
71.45622	2.0
73.02898	2.8
79.05484	37.1
81.07047	100.0
83.04955	2.1
83.08601	9.8
85.02885	15.6
85.06517	7.3
91.03920	6.5
91.05474	32.2
92.49969	2.3
93.07040	41.3
95.04961	6.2
95.08598	28.3
97.02885	6.9
97.06505	4.4
97.10159	2.8
105.07022	18.7
107.08574	22.2
108.84766	2.3
108.95549	2.6
109.06525	2.9
109.10135	16.1
117.06957	5.2
119.08601	12.0
121.10110	15.7
123.11693	14.7
131.08543	7.9
133.10130	22.8
135.11690	12.7
142.83098	2.3
145.10075	8.4
147.11626	7.6
149.13202	7.7
151.11136	8.7
155.03423	2.4
159.11664	9.2
161.13226	4.7
163.14807	2.3
173.13310	4.0
174.70364	2.3
183.13824	2.2
187.13266	4.2
196.05858	2.2
214.70462	2.2
269.17447	3.3
301.20090	20.1
335.25806	17.5
437.34302	2.3
485.36295	4.6
503.37259	86.2
504.37689	4.1
517.38702	3.7
529.33002	2.4
529.38837	23.9
561.41455	93.8
562.41632	4.0
781.15192	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	922.39
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.2
67.05486	4.2
69.03410	5.1
70.06572	1.8
71.04980	29.6
79.05468	5.3
81.03394	12.4
81.07021	1.5
85.02888	16.1
85.06516	7.2
91.05445	8.2
93.07032	3.2
95.04950	8.6
97.02898	6.5
99.04431	2.5
103.03930	2.3
103.05456	14.3
105.04458	1.5
105.07011	20.0
106.04109	1.6
107.04935	73.7
107.08566	1.4
109.02847	4.8
109.06503	2.2
113.05981	5.8
115.03928	1.3
115.05446	7.7
117.06998	3.0
118.04142	2.2
119.04903	4.2
120.05724	2.3
121.02840	3.7
121.06480	8.6
123.04394	7.4
124.05227	2.1
127.03929	7.2
127.07526	23.0
131.04909	13.6
131.06992	9.1
131.08514	1.3
133.02824	5.0
133.06458	16.6
135.04387	1.4
135.08025	28.5
137.05948	16.3
141.05417	3.6
141.06966	2.1
145.04919	3.5
145.07639	4.3
145.08568	100.0
147.04414	5.9
149.05978	14.0
150.06715	3.5
151.03841	3.0
151.07484	8.9
152.04613	1.3
154.06189	1.3
155.07016	5.4
155.08221	1.3
160.05130	1.3
161.05957	20.2
163.03902	2.5
163.07509	97.6
165.05461	2.6
165.09087	4.8
166.06218	2.7
167.07007	81.4
173.05937	1.3
173.08057	8.9
175.07535	3.5
177.05415	3.5
179.06979	12.2
179.10612	1.6
180.07780	2.9
181.08545	18.8
187.07509	3.4
189.09134	1.4
191.06998	8.2
191.09108	12.8
193.08560	31.8
195.10127	89.3
197.05899	3.2
198.06828	1.2
203.06949	6.6
205.08621	3.2
207.10130	2.3
209.08112	1.5
211.09602	38.8
213.11197	15.6
215.06964	6.5
223.09572	2.4
225.11148	1.7
229.08565	5.2
231.06351	1.3
233.08015	7.8
233.10040	1.5
237.11241	1.7
247.09669	1.3
253.10643	2.4
257.07956	6.9
275.08914	3.2
275.11414	9.0
284.34091	1.4
291.12173	3.8
293.10178	5.6
299.11319	3.1
303.12036	2.3
317.12299	3.3
321.13205	4.6
324.98480	1.4
335.13434	6.0
341.11813	1.2
343.15546	2.2
359.23007	1.3
361.16257	2.4
373.14984	1.9
447.16281	1.7
465.17300	2.5
483.18289	2.5
523.66699	1.4
556.76056	1.2
646.42877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	2.7
67.05493	61.3
69.03423	3.3
69.07063	14.6
70.52180	5.4
71.04968	3.6
73.02872	3.9
74.05064	2.3
75.31936	2.3
79.05479	37.6
81.03401	80.6
81.07048	60.5
83.04969	7.7
83.08607	19.5
85.02885	10.3
87.64957	2.2
89.87836	2.3
91.03947	5.7
91.05472	36.4
93.07030	49.7
95.04960	29.0
95.08586	44.4
97.02869	5.9
97.06514	6.6
97.10149	4.9
99.08040	2.9
105.04488	3.6
105.07001	32.1
107.04955	6.9
107.08576	32.4
109.06515	6.0
109.10145	20.1
111.08051	6.4
117.07002	7.1
118.65092	2.6
119.08555	27.7
121.06499	4.5
121.10127	24.5
121.13659	2.6
121.36665	2.4
123.04430	3.9
123.08031	3.4
123.11682	5.5
125.09617	3.5
129.06992	11.0
131.08543	22.4
133.06419	2.7
133.10126	12.3
135.08060	2.5
135.11641	14.2
137.09575	3.2
142.07729	4.0
145.10146	11.3
147.07961	3.1
147.11623	14.9
149.09590	5.8
149.13239	10.0
157.10106	11.9
159.11693	8.0
161.13194	6.3
163.06026	5.2
163.11142	3.4
163.14818	3.0
173.13202	8.5
175.11153	9.1
175.14781	3.5
183.90688	2.2
188.82520	2.5
189.11023	2.8
189.16336	2.3
193.12177	19.3
227.12666	5.9
243.21092	9.2
249.14804	2.8
261.22086	20.0
267.15860	100.0
301.14011	2.7
301.25137	5.9
309.16986	2.7
317.24670	3.1
335.25735	97.0
336.26138	3.1
421.25638	3.5
435.32419	5.9
453.33429	7.7
471.34586	5.9
527.37274	74.3
545.38239	72.8
563.38965	5.7
569.38129	6.9
611.39325	2.8
635.38953	5.6
671.41296	5.3
691.76953	3.2
740.97345	3.3
783.74872	2.6
922.48523	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	924.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.5
67.05498	34.8
69.03414	2.2
69.07062	9.7
71.04983	1.7
79.05486	24.7
81.03407	1.9
81.07045	32.0
83.04945	2.8
83.08613	5.1
85.02879	2.0
85.06518	1.9
91.05465	12.5
93.07031	21.9
95.04961	4.7
95.08591	29.6
97.02884	1.7
97.06507	2.5
97.10172	4.2
105.07005	8.9
107.04955	3.4
107.08588	13.3
109.10136	9.0
109.20260	1.8
114.58635	1.7
115.05433	8.1
117.06973	9.4
119.04987	2.2
119.08560	9.0
121.06509	3.4
121.10106	9.0
122.11810	1.7
123.04418	2.8
123.08071	5.1
123.11780	1.8
125.09620	5.1
128.06227	3.5
129.06949	9.2
131.04933	3.5
131.08556	7.1
133.06462	4.0
133.10152	2.9
135.08044	3.2
135.11644	4.3
139.07541	2.4
141.06970	11.3
143.08556	4.4
145.06477	25.1
145.10118	4.8
147.04424	3.2
147.08064	3.3
147.11681	4.0
149.05988	4.3
151.03920	2.8
155.08537	6.0
157.06519	9.7
159.08083	7.5
159.11617	1.6
161.05954	13.2
163.07516	4.7
165.07045	3.3
167.08585	7.0
169.06474	7.3
169.10112	2.9
171.04381	17.6
171.08028	9.3
173.05923	7.6
175.07533	2.8
179.08528	5.6
181.06464	29.8
181.10080	2.8
183.08034	7.4
185.05949	7.9
185.09543	1.9
187.07559	3.4
189.05414	3.2
189.11211	2.4
191.06950	2.1
191.08609	3.0
193.10129	2.2
195.07993	7.9
196.82611	1.7
197.06030	6.2
199.07553	7.2
203.07077	1.8
205.10095	2.7
207.11690	2.9
211.07613	2.8
213.05467	3.4
219.11562	2.0
221.09763	2.2
223.07590	2.9
223.11151	2.0
223.14740	2.6
225.12683	2.3
227.06979	2.2
233.13280	5.2
235.11095	2.1
237.12688	2.9
239.10713	2.0
247.11105	3.2
251.14259	5.7
253.12259	3.4
255.13789	2.5
261.12747	7.0
261.22144	3.4
265.12042	2.3
269.15363	7.1
273.14798	2.7
279.13739	15.9
289.12167	1.9
297.14798	12.8
299.12793	1.7
301.14371	5.3
307.13208	15.0
315.15845	4.7
319.15390	4.4
325.14291	13.0
335.25754	100.0
343.15421	15.9
357.16907	6.1
361.16397	16.9
371.18820	1.8
381.16858	2.2
395.50400	2.0
399.17868	5.9
400.42969	1.9
412.35382	1.9
417.18985	32.8
435.20242	14.6
467.22986	1.9
580.51971	1.9
614.48224	1.8
617.37598	5.6
631.95386	1.8
659.38989	4.4
677.40466	33.9
695.30042	2.4
695.41486	47.9
696.41803	2.2
713.42426	76.0
714.42847	3.2
857.46045	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	926.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.1
67.05495	2.1
69.03419	2.8
79.05482	2.6
81.03416	4.0
82.45763	0.8
85.02907	5.6
89.03899	0.9
91.05470	5.7
93.03407	2.8
94.04188	2.6
95.04958	4.1
97.02897	2.1
97.08857	0.9
99.04482	1.3
103.05447	17.6
105.03391	1.6
105.07015	4.0
107.04942	5.7
108.02099	1.2
109.06514	1.1
110.03641	4.0
111.04425	5.2
115.05459	4.3
117.07031	3.1
118.04128	4.5
118.06548	1.0
119.04922	5.0
121.06506	2.6
122.03638	4.3
123.04428	1.9
124.05210	1.8
125.05961	6.4
127.03916	2.3
129.06989	2.2
131.04901	28.4
133.02856	5.8
133.06456	4.9
135.08080	2.1
137.05960	66.5
141.05458	1.8
143.04916	3.0
144.05661	1.2
145.04982	0.9
145.06482	5.3
146.07278	1.2
147.04391	5.9
147.08041	1.4
148.05170	10.0
149.05966	3.2
151.03891	77.3
151.04973	5.3
151.07541	3.5
152.04401	1.3
153.05450	23.6
155.04871	1.3
155.07066	1.0
157.06488	1.6
159.04364	1.2
159.08028	4.0
160.05171	1.9
161.05975	5.6
162.06744	1.2
163.03894	2.4
163.07520	24.8
165.05458	4.1
167.07022	23.9
171.04401	2.1
173.05937	6.4
174.06703	2.1
175.07529	15.7
176.04668	3.5
177.05470	3.4
177.09108	2.0
179.07045	8.1
181.04933	24.9
183.06583	1.2
185.05992	1.3
186.06750	4.0
187.07500	8.5
189.05444	2.0
189.09102	2.8
190.06293	1.7
191.07004	100.0
192.07237	1.2
193.08675	2.5
195.06514	1.2
197.06007	0.9
199.07507	2.9
201.09097	1.5
203.07004	6.2
203.08626	1.6
205.08594	9.6
206.07259	1.2
207.08195	1.5
207.10208	1.8
209.08110	4.4
215.07042	1.4
216.07823	2.8
217.08524	6.2
219.08067	2.5
219.10062	1.8
223.07605	2.2
229.08621	2.9
233.08081	4.1
234.06795	1.5
235.07463	2.6
235.09662	8.4
236.08279	4.1
237.09062	2.7
239.06898	1.3
241.08624	1.3
247.07498	2.6
247.09763	1.3
248.08264	2.0
249.05275	1.8
249.09050	4.4
251.10687	7.3
253.08572	2.1
257.08197	1.3
259.07520	1.2
261.09122	2.1
263.07025	1.8
263.09155	20.8
264.07831	5.0
265.08252	6.7
265.11072	4.5
266.09113	1.2
267.10184	1.8
268.11005	1.1
275.07001	1.0
276.07785	3.7
277.08524	4.9
278.09192	1.3
279.07108	1.0
279.10095	5.6
281.07977	1.7
281.11667	2.0
282.08850	1.0
283.13245	2.4
291.09998	1.5
292.07175	1.5
293.07944	1.9
295.09781	2.5
297.11014	1.4
299.09250	1.0
299.12640	1.2
307.09592	20.4
307.13211	1.4
308.10287	2.0
309.11172	5.5
311.12500	3.5
319.09637	2.9
323.12915	1.7
325.10672	2.1
327.12183	3.2
329.13898	1.7
337.10678	3.8
338.11295	1.1
339.12238	43.6
341.13770	7.6
351.12103	9.2
353.13727	3.7
355.11636	9.1
357.13214	3.9
359.15146	1.0
369.13284	15.8
370.14532	1.0
371.14801	6.0
387.14328	93.5
388.14633	1.4
413.15991	2.0
438.30435	1.0
519.18787	2.3
531.20068	1.2
549.19916	8.1
711.24628	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	926.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	8.8
67.05491	2.1
69.03424	5.9
69.28860	5.4
70.06567	1.2
78.04715	1.5
79.05490	2.3
81.03403	3.7
82.04185	1.0
85.02887	8.6
91.05453	8.4
93.03398	2.6
95.01267	1.1
95.04948	4.6
97.02872	3.9
97.06505	1.3
103.05444	18.2
105.03373	1.5
105.04507	1.1
105.07001	4.1
107.04948	6.5
109.02876	1.3
109.06507	1.8
110.03669	6.0
111.04413	11.7
115.05445	5.3
117.06993	4.0
118.03423	1.0
118.04161	4.1
119.04907	5.4
121.02812	1.2
121.06473	2.5
122.03632	3.5
123.04369	2.7
124.05137	1.3
125.05970	11.2
127.03846	1.2
128.06184	1.3
129.06981	2.9
131.04892	27.9
133.02826	7.5
133.06467	5.8
134.03609	1.5
135.04414	1.2
135.08052	2.2
137.05951	66.2
138.03098	1.7
141.05347	1.5
143.04898	3.6
145.06467	6.6
147.04353	9.1
147.07990	2.1
148.05182	8.8
149.05968	5.8
151.03880	79.4
151.04932	5.1
151.07477	3.4
153.05429	39.0
155.04916	1.6
155.06038	1.3
157.06477	2.9
159.04335	1.5
159.08073	5.8
160.05197	2.1
161.05972	6.1
161.09644	1.8
163.03860	3.3
163.07512	25.0
165.05457	4.5
165.06772	1.1
167.07016	26.5
171.04347	2.5
173.05925	7.1
174.06720	1.7
175.07509	18.2
176.04674	2.7
177.05493	4.9
177.06804	1.0
177.09090	1.3
179.07007	9.2
179.08446	1.9
181.04921	31.6
181.08487	2.0
183.06425	1.3
185.06000	2.4
186.06766	5.2
187.07495	12.2
189.05409	2.2
189.07057	2.3
189.09068	4.1
191.06992	100.0
192.07500	1.6
193.08661	2.4
193.10260	1.4
195.06479	2.0
198.06694	1.2
199.07536	3.6
201.05409	2.1
202.07637	1.3
203.06903	7.3
205.06468	2.7
205.08580	8.2
207.10020	1.8
208.08719	1.6
209.08034	5.7
209.09837	1.2
215.06966	1.5
216.07835	5.7
217.08539	4.7
218.07222	1.9
219.08044	4.9
219.10150	2.7
220.08833	3.2
221.05972	1.9
221.07803	1.3
221.09627	2.7
229.08607	5.4
233.06026	1.4
233.08058	4.4
234.06738	2.0
235.07458	2.9
235.09627	11.1
236.08217	6.2
237.09065	4.0
239.10628	1.4
245.08105	1.9
246.06731	1.7
247.07536	3.1
248.08279	2.3
249.09093	5.2
250.09825	1.9
251.06865	1.6
251.10680	9.7
253.08572	2.4
259.09604	1.5
261.05783	1.6
261.09052	2.5
262.05984	2.0
263.06943	1.6
263.09091	20.9
264.07730	9.6
265.08118	5.0
265.10898	6.4
267.10159	2.0
268.10760	1.3
275.06934	2.5
276.07736	4.7
277.08640	8.3
278.09296	2.4
279.06952	1.5
279.10150	7.9
281.08102	1.5
281.11646	2.5
283.09558	1.9
283.13226	3.1
289.08505	2.1
291.09937	2.6
292.07291	3.6
292.10516	0.9
293.08023	2.3
293.11551	1.4
294.08853	1.5
295.09671	3.1
296.10437	1.2
300.09848	1.3
304.07349	1.4
305.08026	2.0
305.11298	1.0
307.09595	35.9
308.10236	5.2
309.11182	3.9
311.12778	6.5
319.09528	4.3
320.10556	1.4
321.11066	3.0
323.12692	2.1
324.09961	1.5
325.10773	3.3
327.12085	4.8
337.10690	2.8
339.12207	67.8
340.12717	2.3
341.13834	10.1
351.12173	15.4
353.13718	4.6
355.11691	7.8
357.13330	5.1
365.13312	1.2
369.13199	19.0
371.14587	6.8
387.14297	93.2
388.14697	2.4
413.15811	1.5
489.18979	2.0
509.31042	1.2
517.18005	1.6
519.19513	2.4
531.18536	2.4
549.19757	7.5
698.29169	1.2
711.24792	10.0
780.41614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5825
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59232	18.0
67.05486	81.8
69.07076	24.2
69.48730	57.5
71.82433	14.8
73.02902	16.8
79.05481	93.1
81.07051	79.1
85.02928	30.7
91.05476	46.8
93.07032	63.3
95.08591	44.2
95.71591	16.2
97.02895	20.7
105.07027	37.2
109.10218	18.2
119.08533	19.4
121.10131	30.2
131.08537	30.4
133.10159	20.1
135.11684	22.3
145.10065	16.9
147.11687	27.1
161.13197	15.8
228.68553	16.2
237.87978	14.4
261.22113	29.0
307.22699	94.0
309.24252	18.4
335.25793	100.0
446.50131	16.4
476.05847	17.6
567.43744	29.9
585.45239	38.0
627.40704	17.3
659.08813	21.4
882.76221	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86190	0.5
67.05496	3.5
68.05058	0.4
69.03419	2.6
69.07050	0.7
70.06577	0.6
71.01343	0.6
71.04967	0.9
73.02901	3.7
79.05479	2.4
81.03397	2.1
81.07035	3.0
83.04955	0.5
83.08623	0.5
85.02898	5.5
91.03925	3.3
91.05471	1.4
93.07040	2.7
95.04947	1.0
95.08611	1.9
97.02872	4.9
99.04414	0.8
101.02367	1.4
105.07064	0.9
107.08577	0.7
109.02928	0.8
119.08540	0.7
121.10131	1.4
127.03933	1.3
131.08549	0.7
133.10117	0.7
147.11665	0.7
149.09641	0.8
167.07426	0.5
173.10828	0.6
185.04184	1.0
203.05292	0.9
230.75684	0.5
241.06680	0.5
243.08418	1.6
269.13730	1.0
347.09521	1.9
365.10760	0.6
405.13638	5.3
431.19031	1.9
443.18790	2.9
469.20187	0.7
475.69501	0.5
487.21466	1.9
507.20663	0.5
519.29242	4.6
527.91785	0.5
605.24329	3.1
631.25800	0.7
649.26471	3.2
681.34430	5.8
721.41681	0.9
765.44513	0.9
823.73822	0.5
883.46423	0.8
908.44531	0.5
927.49005	100.0
928.49359	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	928.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.0
69.03429	5.7
70.06567	1.0
71.01326	0.9
71.04967	0.7
78.41112	0.7
79.05489	1.5
80.32162	0.7
81.03401	2.4
85.02888	8.4
85.50522	0.8
87.76863	0.6
88.60824	0.7
90.99734	0.6
91.05461	2.5
95.04914	0.8
97.02882	4.6
98.23428	2.0
103.03922	0.7
103.05426	1.8
105.07042	3.6
107.04942	2.2
109.02853	1.2
115.05449	1.5
117.06986	0.7
119.04931	3.1
121.02827	1.1
121.06501	1.6
123.08057	1.3
127.03897	2.8
129.06979	0.9
131.04906	2.8
133.02827	2.9
133.06479	2.9
135.04352	0.7
135.08008	1.2
136.05240	0.8
137.05960	9.6
138.08046	0.6
144.05443	0.7
145.05089	0.7
145.06459	1.7
147.04420	2.5
149.05948	1.9
151.03923	1.2
151.07504	5.5
153.05420	2.4
153.50276	0.7
157.06432	1.0
159.07961	0.9
161.05960	4.0
163.07489	3.7
165.09108	0.8
167.04866	0.7
167.07031	15.5
167.08455	1.0
174.06744	0.8
175.07503	4.4
177.09085	25.6
178.07854	0.8
179.07005	2.4
181.04942	2.8
181.08575	2.9
187.07564	0.8
189.09100	3.0
191.07011	2.3
193.08572	21.2
194.07153	1.1
195.08218	1.2
195.10089	2.6
201.09070	1.5
203.10634	1.3
205.08450	0.8
207.08191	1.2
207.10165	1.1
209.09692	1.3
211.09604	1.4
213.09079	1.1
219.08128	1.3
219.10165	2.4
220.08691	0.8
221.05946	0.9
221.09721	1.4
221.11691	8.6
222.06786	1.3
222.10237	0.8
223.07471	1.1
224.08263	1.2
225.09209	1.4
233.09702	1.9
235.07529	1.3
235.11067	1.1
236.08334	1.4
237.09109	2.7
238.09790	1.0
247.07616	0.9
248.08440	0.8
249.09099	4.7
250.06221	0.9
250.09799	2.5
251.06964	1.7
251.10815	1.0
252.07732	3.6
253.08615	2.1
253.12077	0.8
257.07993	1.2
261.09076	1.4
263.07001	1.4
264.07721	2.9
265.08450	6.4
266.09354	3.3
267.10114	1.9
268.10870	0.9
269.07999	1.5
275.10645	1.0
277.08585	2.4
278.09262	1.7
280.07275	3.6
280.10434	0.8
281.08060	1.9
281.11716	1.0
283.09509	2.6
285.11206	2.2
291.10272	1.3
292.07523	1.0
292.10968	2.9
293.08072	3.1
293.11691	5.2
294.08847	0.8
295.09708	4.2
296.10434	3.2
297.07507	1.7
297.11020	1.3
299.12607	1.3
300.09839	1.7
306.08984	0.9
307.09796	1.4
309.11090	3.7
310.08273	1.0
310.11917	2.0
311.09244	1.4
311.12680	6.0
312.09747	1.4
313.10654	7.4
313.14301	4.5
315.12241	1.2
320.10303	0.9
321.11310	4.2
323.12772	1.1
325.10706	3.6
325.13934	1.7
326.11502	1.5
327.12286	5.6
329.13733	1.0
331.15265	1.5
338.11188	1.7
339.12238	37.9
340.12708	3.7
341.13785	4.3
343.15329	2.5
353.13828	7.3
355.15460	2.3
356.12326	1.2
359.14862	16.4
361.16452	4.9
367.15390	2.1
371.14841	100.0
372.15234	2.8
373.16373	12.2
375.17938	1.6
381.13394	1.2
383.14966	1.1
385.16299	2.1
395.15387	0.8
397.16299	0.9
413.15829	1.8
479.16974	1.0
497.18036	1.3
505.22729	1.0
509.21640	3.6
521.21167	3.1
533.20325	2.9
713.69110	1.0
932.78815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93483	0.9
69.03426	5.3
69.12181	3.0
69.12583	2.1
70.06577	1.7
71.04989	1.0
79.05465	1.9
81.03414	2.1
85.02894	9.8
87.04501	1.0
91.05492	2.6
92.57343	0.8
95.04967	1.3
97.02879	3.6
101.57520	0.8
103.05519	1.0
105.07028	3.1
105.30439	0.9
107.04965	2.2
109.02857	1.3
111.04401	0.8
115.05451	1.5
119.04948	3.3
121.02843	1.7
121.06496	2.3
127.03918	2.6
129.07010	1.3
131.04939	3.8
131.08594	0.8
133.02838	3.8
133.06467	3.9
133.73894	0.9
135.02521	0.8
135.08044	1.2
137.05946	10.3
145.04987	0.8
145.06416	1.4
147.04391	2.7
147.07983	1.0
149.05980	1.9
150.06789	0.8
151.03937	1.7
151.07547	6.9
153.05406	1.6
159.08089	1.6
161.05948	5.6
163.07593	4.0
167.07025	15.8
167.08333	1.7
175.07587	4.3
177.05562	1.5
177.09097	30.9
179.07022	3.0
181.04958	2.8
181.08621	2.4
189.09036	2.2
191.07011	2.7
193.08583	23.5
194.07196	1.3
195.08026	1.0
195.10158	2.6
203.06947	1.2
207.08170	1.5
207.10062	1.6
211.09647	1.6
218.07155	1.3
219.08192	1.4
219.10152	1.2
221.09735	1.7
221.11668	7.9
223.07584	2.1
225.09071	1.6
231.08034	0.9
233.09570	1.8
234.06754	1.6
235.07469	1.6
235.11179	1.0
236.08264	2.3
237.09071	1.3
239.07126	1.6
239.10637	1.3
247.07454	1.2
249.09109	5.4
250.06401	0.9
250.09866	1.6
251.07030	2.1
252.07779	3.5
253.08679	2.3
253.12170	1.0
262.10004	1.1
263.06940	2.3
264.07806	1.8
265.08624	5.7
265.12003	0.9
266.06589	0.8
266.09262	4.4
267.06738	0.9
267.10080	3.0
269.07962	1.8
277.08667	2.8
277.11963	1.1
278.09326	2.5
279.10126	1.6
280.07269	3.7
280.10641	1.9
281.07840	2.4
282.08768	1.1
283.09787	1.7
283.13275	1.0
292.07397	1.2
292.10944	2.6
293.08313	1.2
293.11700	4.7
294.08694	1.8
295.09604	3.8
296.10385	4.3
297.07727	1.1
297.11246	1.5
299.12625	1.3
300.09979	1.5
309.11169	2.2
310.11697	1.9
311.09439	1.2
311.12665	4.8
312.09909	2.5
313.10593	5.3
313.14349	4.7
320.10199	1.0
321.11169	5.6
323.12775	1.9
324.09796	1.3
325.10690	5.9
325.14215	1.8
326.11407	1.5
327.12357	4.8
327.15701	1.1
328.12390	1.1
329.13495	1.3
331.15326	2.3
335.12759	1.0
338.11514	2.4
339.12244	39.2
340.12888	3.8
341.13846	6.1
343.15210	2.4
345.16870	1.5
353.13889	6.6
355.15430	3.5
359.14841	15.6
360.15201	2.4
361.16406	5.7
365.95334	1.0
371.14868	100.0
372.15134	4.2
373.16449	11.5
375.17996	2.4
383.14963	1.3
385.16202	1.6
413.15698	2.1
471.72546	1.0
479.16852	1.2
497.17990	1.8
509.21640	4.6
513.76428	1.1
521.21313	3.9
533.19928	3.3
590.56866	1.1
752.13348	1.2
756.65533	1.0
923.59015	1.0
962.35455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	2.6
69.03416	20.2
69.07056	1.2
69.41397	3.8
71.01338	1.9
71.04980	53.2
73.02899	10.7
75.04465	6.0
79.05470	1.2
81.03409	1.8
81.07057	1.7
83.04961	18.1
85.02890	100.0
87.04449	2.2
93.07021	1.3
95.04937	3.4
95.08600	3.0
97.02874	28.0
99.03851	1.1
99.04430	4.5
103.03912	2.9
105.06986	1.6
107.08558	3.2
109.02847	2.5
109.10143	1.9
111.04424	13.3
113.02366	1.1
113.05955	1.6
115.03909	20.1
117.05475	1.5
119.08571	2.8
121.10110	2.0
127.03881	6.8
129.05455	37.1
129.98628	1.0
131.08618	1.3
133.04939	2.1
133.10103	2.3
135.04434	1.1
139.03857	3.6
145.04916	3.3
145.10123	1.4
147.06487	19.5
147.11627	2.0
149.13300	1.2
157.04973	2.6
159.06483	2.0
163.06029	1.9
164.09131	1.5
169.04955	1.2
171.06535	2.5
175.14825	2.9
177.16357	1.9
187.14799	4.0
189.16406	3.4
191.92451	1.0
195.06586	1.2
199.05942	1.4
201.16301	2.7
203.17914	2.8
205.15793	3.2
207.06511	1.3
223.05943	1.4
225.07555	15.6
243.08595	12.2
246.61137	1.1
255.08519	1.9
259.08179	2.0
261.09698	7.4
273.09482	1.6
278.46490	1.1
279.10687	13.1
309.11716	3.4
349.24850	1.0
407.32974	8.1
425.34048	4.3
435.32596	5.4
453.33554	13.0
454.33575	1.2
471.34766	1.6
928.45508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.0
68.99781	0.2
69.03422	15.4
69.25349	0.5
71.01339	0.6
71.04977	1.4
72.62606	0.1
72.64290	0.1
75.33551	0.1
81.03402	2.3
83.04971	5.2
85.02893	2.6
87.04461	0.3
91.05470	6.9
93.16051	0.1
95.04955	0.3
95.43259	0.1
97.02873	0.6
99.04446	0.3
101.06010	0.1
107.04964	0.2
108.37023	0.1
109.02867	0.9
111.04430	4.6
113.06027	0.1
119.04929	17.3
120.05283	0.1
121.02862	1.2
127.03926	0.5
127.82934	0.1
129.05463	7.6
147.04390	100.0
148.04732	1.0
153.01810	0.9
153.05441	0.2
165.01804	0.5
165.05464	5.2
171.06497	0.2
179.87775	0.1
189.07553	2.7
213.05487	0.4
219.06693	0.1
237.07527	0.1
241.04945	0.2
245.04204	0.2
257.08105	0.4
258.05182	0.3
259.05991	0.3
275.09073	0.2
287.05460	25.3
288.05762	0.6
291.08566	3.6
299.05368	0.6
300.06192	0.2
309.09641	4.8
311.05643	0.2
317.12411	0.2
329.06546	0.7
335.11215	0.4
379.08087	0.5
397.09094	1.3
401.12451	0.2
415.09744	0.3
419.12912	0.2
433.11163	0.6
457.11258	0.4
475.12311	0.9
488.18143	0.1
700.87653	0.2
928.66003	1.4
929.33020	0.3
929.65436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.1
66.74908	0.1
67.05486	0.2
68.99809	0.3
69.03416	1.0
71.04980	9.3
73.02896	0.3
75.04490	0.2
80.20647	0.1
81.03408	1.0
83.04965	0.3
85.02891	5.9
85.06524	1.5
87.04442	0.2
95.04941	0.4
97.02879	1.2
99.04440	0.3
99.47581	0.1
105.03356	0.2
107.04982	0.1
109.02843	1.1
111.00800	0.6
111.04424	0.3
113.05990	1.5
119.85715	0.1
121.02849	3.9
121.03768	0.2
127.03893	1.9
127.07537	4.2
129.05455	0.9
131.07004	1.5
133.02829	0.4
137.02342	0.6
141.05481	0.2
145.04947	0.5
145.08572	23.0
146.08966	0.1
147.04373	0.5
147.06422	0.2
153.01810	2.0
155.78381	0.1
157.06427	0.2
161.05975	0.1
165.01785	1.0
171.04355	0.2
173.08057	0.4
183.02861	0.5
185.05928	0.3
185.08102	0.1
187.05989	0.2
191.09108	1.1
201.05440	0.2
203.06990	0.1
213.05412	1.0
217.04858	0.1
231.06348	0.5
241.04955	1.0
257.10123	0.7
258.05273	0.6
259.05954	0.3
275.11252	0.2
287.05441	100.0
288.05768	1.5
299.05585	0.2
299.11160	0.6
311.05261	0.2
317.12219	0.7
329.06488	2.1
335.13321	0.6
353.06439	0.2
395.07584	0.3
431.09659	0.2
449.10919	0.7
603.16632	0.3
621.17999	7.8
622.18640	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	929.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.8
69.03426	2.8
69.07059	1.0
69.27227	3.4
71.01338	0.7
71.05009	0.8
73.02914	2.5
79.05490	3.0
81.03425	0.9
81.07054	2.9
85.02903	3.5
91.03957	1.4
91.05478	2.0
93.07033	2.2
95.08592	3.6
97.02880	5.0
99.04462	0.8
101.02345	1.5
105.07036	0.9
107.08591	1.1
109.02922	0.8
109.10163	1.3
111.63887	0.7
119.08591	0.8
127.03899	1.0
131.97765	0.7
185.04178	0.7
243.08374	1.5
291.57074	0.6
325.14285	1.0
335.25870	0.9
389.19452	1.3
433.18262	6.4
519.29358	5.5
607.28479	0.8
651.26086	1.4
929.48468	100.0
930.48944	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	929.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	3.8
69.03419	2.9
69.07055	0.7
69.49140	2.6
71.01373	0.8
73.02916	3.1
79.05500	1.9
80.64611	0.6
81.03411	1.6
81.07046	3.0
85.02897	3.0
91.03955	2.4
91.05477	2.2
91.13999	0.7
93.07045	2.4
95.04989	1.0
95.08618	1.6
97.02887	3.1
105.07024	1.5
116.79878	0.7
117.07030	0.9
119.08599	1.1
119.20687	0.7
121.10120	0.6
122.89451	0.8
125.08281	0.6
127.03895	0.9
145.06493	1.7
173.65016	0.8
185.62598	0.8
216.79903	0.7
243.08485	2.2
319.83844	0.9
401.16168	0.9
433.18320	5.3
519.29303	4.9
552.71967	0.7
560.78027	0.7
619.23468	0.8
631.42041	0.9
651.26105	3.7
929.48474	100.0
930.49408	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	930.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.8
67.52270	1.0
69.03059	1.2
69.03423	19.1
69.07064	3.0
70.47398	1.6
71.01354	1.7
71.04984	54.6
73.02909	10.4
74.03625	0.7
75.04472	5.9
79.05494	2.0
81.03410	2.9
81.07046	5.6
83.04969	17.5
83.08601	3.8
85.02892	100.0
87.04445	3.5
91.05434	1.3
93.07050	5.3
95.04931	2.1
95.08596	10.2
97.02883	25.9
97.10165	1.1
99.04453	3.2
103.03918	2.1
105.07011	3.1
107.08584	4.8
109.02852	1.6
109.10139	7.3
111.04437	11.7
113.02371	1.2
113.05988	2.4
115.03924	21.9
117.05453	1.3
119.08572	9.7
121.10108	7.3
123.11732	4.2
127.03880	5.2
129.05460	39.3
131.08534	1.7
133.04980	4.5
133.10114	3.1
135.11661	4.4
137.05969	0.8
137.13231	3.5
139.03886	2.6
143.08553	1.2
145.04906	4.5
145.10080	3.9
147.06500	22.1
147.11613	2.3
149.13260	4.7
151.07520	1.0
157.04916	2.0
157.10178	0.9
157.61780	0.8
159.06546	1.6
159.11682	3.3
161.13240	2.7
163.06058	1.8
163.07458	2.0
163.14777	1.5
165.07568	2.0
169.04959	1.9
171.06456	2.1
171.11641	1.7
173.13223	1.1
177.16327	0.9
185.13094	0.9
187.05928	1.0
187.14778	3.7
189.16357	2.8
191.17906	14.9
195.06464	1.5
199.06085	1.2
199.14896	1.7
201.16359	5.3
203.17982	5.7
205.19478	5.9
213.16269	1.7
217.19530	2.3
225.07550	12.2
231.17441	1.8
233.15344	1.5
241.06956	1.2
243.08653	10.4
243.10974	1.5
245.15273	1.9
247.16933	2.5
255.08575	2.8
259.08105	2.3
261.09662	5.5
263.16394	3.9
273.09656	2.4
277.18036	1.4
279.10721	15.0
309.11749	3.2
391.33435	1.8
409.34720	4.0
437.33948	8.2
455.35147	28.5
593.95917	1.0
718.53467	0.9
727.03137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	8.3
67.55142	1.1
67.97936	1.3
69.03420	22.5
69.07064	9.0
69.32114	2.5
69.32504	3.7
71.04970	1.4
73.02910	12.6
75.22399	1.5
79.05495	4.6
81.03402	6.4
81.07046	32.9
83.08599	7.5
85.02894	100.0
86.03399	1.3
87.04467	1.7
91.03943	2.8
91.05469	3.6
93.07041	8.7
95.08595	41.7
95.09203	2.3
97.02882	38.5
97.03481	2.7
97.10158	2.4
98.23418	2.7
99.04442	5.5
104.86977	1.3
105.07000	7.6
107.08578	15.3
107.81940	1.6
109.02867	10.1
109.10133	26.0
115.03932	5.5
118.99490	1.3
119.08556	9.8
121.10126	11.9
123.11684	22.5
127.03909	32.0
131.08571	5.1
131.46762	1.5
133.04974	4.1
133.10092	8.3
135.11678	9.5
137.05994	3.6
137.13232	21.0
143.08588	2.9
144.06535	2.6
145.04939	49.3
145.10071	8.6
147.11681	7.8
149.12189	1.4
149.13261	5.9
151.14796	3.0
157.10118	3.3
159.11700	5.3
161.13260	4.9
163.05994	17.7
163.14824	5.1
171.11646	3.9
173.13223	4.1
175.14780	5.1
177.16377	3.9
179.17889	11.3
185.13219	4.7
185.65753	1.4
187.14830	6.2
189.16351	9.8
191.17914	27.1
199.14828	5.5
201.16359	5.8
203.17914	10.3
205.19540	3.9
213.16373	9.6
215.17899	6.7
217.19475	3.1
223.05943	2.2
227.17870	2.8
229.19432	2.6
231.21034	1.5
241.06990	1.5
241.19510	4.2
243.21046	4.5
245.15276	1.9
247.16873	2.1
255.21091	3.7
259.08102	4.6
259.16940	6.4
261.18527	2.9
269.22647	3.0
277.08939	1.8
285.91632	1.6
287.20074	3.0
295.10239	4.1
300.55618	1.4
315.23181	2.7
324.12802	2.8
325.11328	3.4
393.35068	34.6
411.36066	6.3
421.34369	2.5
439.35660	91.6
440.36172	3.1
543.40240	3.1
555.40729	1.9
583.39532	2.0
589.40863	16.0
601.40808	2.1
709.43597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30073	0.1
68.99790	0.3
69.03413	0.7
69.43452	0.2
69.43845	0.3
71.01346	0.5
73.02903	0.9
79.05474	0.6
81.03405	2.0
81.67600	0.1
83.04968	1.5
85.02892	3.8
89.03903	4.5
95.01317	0.4
95.04953	0.3
97.02879	0.5
99.04372	0.2
103.03967	0.3
105.03387	0.2
107.04937	1.4
109.02848	0.8
111.00786	0.6
111.04428	0.4
113.02349	0.9
117.03365	4.6
121.02847	2.9
127.03897	0.5
129.05482	0.4
131.03378	0.4
133.02849	0.6
135.04395	10.9
137.02318	0.8
141.01790	0.4
145.02829	8.7
147.04376	0.6
153.01805	2.9
157.06535	0.3
159.02895	0.4
161.06009	0.1
162.11026	0.1
163.03880	70.0
164.04219	1.1
165.01843	1.3
171.04419	0.3
175.03821	0.2
181.04912	2.0
183.02876	0.8
185.05949	0.3
185.41525	0.1
189.05402	0.2
197.06059	0.2
203.03487	0.1
207.11520	0.2
213.05444	1.2
231.06444	0.8
241.04817	0.9
243.06293	0.1
257.04395	0.2
258.05249	0.8
259.05997	0.4
269.04486	0.2
273.07263	0.1
286.04678	0.2
287.05457	100.0
288.05756	3.0
289.06125	0.3
299.05524	0.3
307.08051	2.8
325.09137	2.5
329.06558	0.4
339.06982	0.2
392.82642	0.1
433.11176	1.1
463.08578	1.8
609.14264	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	935.2445
Annotation	Quercetin 3-(6''''-p-coumarylsophorotrioside)
Peak:m/z	Relative Intensity
65.00259	0.2
68.99792	0.3
69.03424	1.2
70.22531	0.1
70.61909	0.2
71.04994	0.2
73.02914	0.2
79.05476	0.6
81.02952	0.2
81.03408	2.8
83.04977	1.5
85.02404	0.2
85.02896	2.7
89.03909	4.6
95.04951	0.3
97.02872	1.0
99.04435	0.4
107.04959	1.4
109.02883	0.9
111.00796	0.2
111.04432	0.6
117.03368	5.8
121.02835	0.5
123.04494	0.1
127.03905	1.0
129.05426	0.4
134.77647	0.2
135.04401	12.5
136.04767	0.2
137.02341	2.1
145.02829	10.2
149.02319	0.2
153.01796	1.2
153.63440	0.1
155.04994	0.2
163.03880	100.0
164.04228	1.1
165.01797	0.9
173.05992	0.2
181.04941	4.2
181.81044	0.1
183.02887	0.3
187.03905	0.2
201.05440	0.6
219.06552	0.2
229.04999	1.2
247.06079	0.6
257.04446	1.3
273.07532	0.4
274.04761	0.3
285.03848	0.6
287.05557	0.8
288.05847	0.3
289.06113	0.2
291.08472	0.2
303.04947	49.4
304.05127	0.7
307.08081	3.4
315.04901	0.2
325.09146	4.9
345.05981	0.3
432.65637	0.2
435.12613	0.3
449.10620	0.9
465.10184	0.3
779.66791	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	936.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	18.2
65.75729	1.2
67.05485	3.7
69.03413	1.7
69.12912	2.8
69.13320	6.2
70.69940	1.4
71.04981	18.1
71.97818	1.2
79.05473	1.3
81.03411	4.2
82.04185	3.6
85.02888	4.4
85.06535	4.3
89.03919	1.3
91.05460	5.2
93.03389	8.9
95.01311	3.4
95.04948	5.9
97.02884	2.5
97.06516	2.1
98.22716	3.4
103.03936	1.4
103.05461	2.3
105.07001	1.9
107.04945	4.3
107.52100	1.4
109.02861	2.4
109.10127	1.3
110.03648	18.2
111.04426	27.7
113.05999	3.3
115.05471	1.7
117.07043	1.4
119.04957	6.0
121.02863	16.4
121.06497	2.6
123.04425	1.5
124.29174	1.1
124.65858	1.3
125.05967	21.4
127.03957	1.8
127.07539	12.0
129.06985	2.4
131.04915	4.0
131.07021	3.9
133.02829	7.3
133.06502	2.7
135.04413	1.5
137.05946	10.2
138.03113	2.1
144.05626	1.4
145.04933	2.8
145.08574	58.3
147.04347	14.1
147.07993	2.1
148.04926	1.8
149.05956	4.8
151.03886	2.4
151.07570	3.4
151.21231	1.4
153.05441	100.0
155.07002	4.8
159.08017	4.7
161.05968	3.4
163.03883	1.5
163.07487	2.1
165.06961	2.1
165.09131	3.2
167.07031	20.0
167.08406	1.1
171.04401	1.2
173.08096	2.9
174.06743	2.2
175.07495	8.7
179.07039	2.9
179.08508	1.6
181.04979	2.0
181.06523	1.9
182.74615	1.3
187.07452	7.3
191.06972	3.8
191.08871	2.4
194.07280	2.4
195.06384	1.7
195.08052	3.8
199.07578	2.2
204.07765	2.0
205.08499	1.8
206.07246	1.8
207.08092	2.6
208.08794	1.6
211.07475	2.5
215.06955	3.0
216.07732	6.7
217.08395	3.1
219.07956	4.9
220.08777	2.6
221.05922	1.3
221.09532	1.8
223.07524	5.0
225.09106	2.1
226.06200	3.7
229.08455	3.4
233.07979	2.7
235.07480	3.4
236.08276	3.5
237.09016	3.5
239.07021	5.0
240.07849	1.3
247.07481	2.4
247.09644	13.1
248.08112	2.1
249.09082	3.0
250.09825	1.3
251.06979	2.4
251.10722	7.9
252.07652	2.3
253.08553	13.9
254.09410	3.9
257.08011	3.4
261.09134	2.3
263.06992	2.8
264.07761	3.3
265.08499	3.9
266.09424	2.5
267.10083	3.2
269.11685	5.6
275.06824	2.4
275.11356	6.7
276.07773	2.6
277.08585	2.4
279.06863	1.7
279.10092	6.1
280.10834	1.4
281.08148	3.2
281.11786	1.3
282.08749	3.2
283.09576	1.8
291.10046	1.3
292.07312	1.7
292.74475	1.4
294.08749	2.6
295.09555	3.3
297.11197	11.2
307.09592	18.5
308.10281	2.8
309.11032	2.0
311.09286	1.8
311.12708	5.7
319.09604	2.7
321.11105	2.5
323.12741	2.6
324.09583	1.8
325.10623	51.5
325.14420	2.9
326.11188	3.3
327.12180	2.3
329.13794	1.9
337.10666	3.1
337.14288	1.5
339.12213	56.2
340.12729	2.1
341.13760	9.6
351.12192	13.2
353.13882	4.0
355.11847	2.9
357.13272	52.6
358.13571	2.6
369.13254	8.0
387.14261	7.5
465.11664	2.2
466.11969	3.6
470.41577	1.5
489.19022	6.2
499.17856	2.0
501.18829	3.2
501.37701	1.6
558.90497	1.8
600.20667	1.5
936.33252	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	936.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.6
67.05495	66.2
67.05858	3.3
69.03411	3.3
69.07056	14.8
71.04991	4.1
73.02905	4.3
79.05479	47.0
81.03403	82.3
81.07045	64.6
83.04984	6.5
83.08601	26.1
85.02888	8.8
85.06510	3.6
90.82462	1.9
91.03941	5.5
91.05469	36.7
93.07028	46.0
95.04957	32.6
95.08591	42.7
97.02876	7.5
97.06517	6.5
97.10148	5.5
105.07004	32.6
107.04969	8.3
107.08572	25.9
109.06516	6.4
109.10152	17.5
111.04426	2.1
111.08080	7.6
115.05428	2.1
116.06287	1.8
117.06995	8.5
119.04919	1.9
119.08556	23.1
121.06490	3.8
121.10111	24.8
123.04494	2.4
123.08085	3.8
123.11689	6.3
125.09628	5.8
129.06953	9.8
131.08548	20.7
133.06544	4.7
133.10100	16.1
135.11659	12.7
137.09676	3.3
142.07741	3.2
143.08563	3.0
145.04948	1.7
145.10101	9.7
147.08026	2.5
147.11665	13.3
149.09619	3.9
149.13281	7.8
157.10104	13.3
159.11690	9.0
161.09660	1.8
161.13260	5.2
163.06004	5.0
163.11182	3.0
163.14751	4.2
169.10052	2.2
173.13261	6.1
175.11121	9.6
175.14783	2.0
183.11639	2.6
185.13263	3.1
187.14792	2.5
189.11247	5.1
193.12230	22.9
211.13226	2.8
227.12804	8.9
235.13280	2.5
243.21138	5.8
249.14874	3.8
259.13275	3.2
261.22086	21.4
267.15863	100.0
279.23016	2.6
281.84723	2.0
301.25146	6.3
309.17090	2.5
317.24680	2.9
335.25726	77.6
336.25949	2.5
345.17889	1.7
403.24368	2.3
421.25665	4.6
435.27240	3.8
435.32660	5.5
453.33365	11.9
471.34702	5.0
527.29266	3.2
527.37286	72.6
545.38318	74.2
546.38391	4.6
559.39783	2.3
569.38477	9.0
577.40558	2.7
623.39294	2.1
635.39380	4.1
653.39911	2.9
671.40845	2.8
853.24628	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.4
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	5.2
67.05482	1.9
67.71490	0.6
69.03408	1.5
70.01580	2.1
71.04611	1.3
71.04980	9.4
78.48410	0.7
79.05473	0.9
81.03410	1.3
85.02886	3.3
85.06523	2.2
91.05467	1.9
93.03383	1.4
95.01313	0.8
95.04951	2.9
103.03920	0.9
103.05451	0.8
105.07008	1.2
107.04964	1.6
109.02877	2.1
110.03658	5.5
111.04437	5.4
111.34987	0.7
113.05985	2.8
115.05467	0.9
119.04926	1.1
121.02850	3.8
121.06509	1.3
125.05988	8.5
127.03922	1.2
127.07545	7.4
129.07022	0.8
131.04906	1.8
131.07011	2.7
133.02850	2.8
137.05949	5.2
141.05482	1.2
145.04897	1.1
145.06621	1.3
145.08572	24.5
146.08958	0.9
147.04427	2.4
149.02277	1.5
151.03935	1.2
151.07510	2.8
153.05432	17.5
153.06664	1.2
154.05817	1.4
155.05945	0.8
155.06985	3.5
159.08051	0.9
161.05971	1.9
161.09651	1.1
163.07533	1.9
165.07013	1.2
167.07024	4.7
173.06021	0.7
173.06726	0.7
173.08018	4.8
175.07500	2.1
177.05498	1.2
177.09138	1.3
178.07716	1.0
179.07082	1.6
180.12071	0.7
181.04997	1.1
181.08566	1.4
182.07146	0.7
185.05952	0.7
187.07588	1.8
189.09074	2.1
191.07043	2.4
191.08995	1.5
193.08568	2.2
195.08073	2.1
203.07043	1.7
206.07170	0.7
207.08122	0.9
207.10146	0.8
208.08618	1.0
210.06770	1.9
211.07433	1.9
215.07043	1.4
220.08842	0.8
221.06035	1.2
221.09659	1.7
222.10097	0.8
223.07501	2.1
223.11156	0.7
224.08199	1.7
225.09032	2.3
227.06903	1.0
229.08556	2.2
231.07710	0.8
233.08144	2.8
237.09085	2.7
238.06221	1.4
238.09883	2.5
239.06932	2.6
239.10725	1.1
240.07813	4.0
241.08655	1.5
247.09714	0.8
249.08981	1.8
249.11256	0.9
251.06966	1.1
251.10632	1.2
252.07771	2.0
253.08511	11.0
253.12227	3.6
254.09210	2.2
255.06525	1.3
255.10072	3.0
257.08057	4.4
265.08511	1.3
266.09369	2.9
267.10150	2.2
268.07315	1.4
268.10364	0.8
269.08160	1.9
269.11603	0.7
270.08859	2.4
271.13068	1.1
275.08725	0.9
275.11295	3.1
277.08508	1.5
278.09589	0.8
279.06549	1.1
279.10071	0.8
280.07248	1.0
281.08081	2.8
281.11664	3.3
282.08826	1.2
283.06744	1.0
283.09619	5.7
284.10437	2.0
285.11212	3.1
285.14691	1.4
293.10300	1.0
295.09634	2.7
296.10214	1.1
297.11081	1.7
298.08633	1.1
298.11945	2.5
299.12659	4.1
300.09894	1.2
307.09491	1.0
309.10992	4.8
310.11926	1.9
311.08878	0.9
311.12634	1.0
313.10672	8.2
313.14297	3.1
325.10742	3.1
326.11115	2.8
327.12207	18.9
328.13010	2.2
331.15234	3.0
339.12228	3.8
340.12640	2.8
341.13742	5.2
343.15305	1.8
352.12570	0.9
355.15323	0.9
357.13226	1.9
358.13623	2.3
359.14835	100.0
360.15204	2.1
361.16406	8.8
371.14792	9.7
373.16437	1.1
389.15918	3.1
491.19720	0.8
509.21298	1.6
693.26910	2.1
776.41614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03205	1.9
85.33337	0.9
91.05573	1.0
98.23441	0.9
107.10189	0.9
131.04935	1.3
137.06038	2.7
138.02913	1.5
147.69290	1.0
167.03214	1.1
169.04787	1.1
175.03719	1.3
213.07382	3.6
357.11478	4.6
364.12766	0.9
378.17468	1.0
410.13156	1.2
434.91620	1.0
443.08820	1.1
446.17834	1.1
509.17789	1.8
527.18793	1.1
527.98193	1.1
539.34302	1.0
611.21997	1.0
655.91028	1.1
701.23981	3.0
725.24335	2.3
729.23413	2.7
743.25653	2.8
744.26263	1.6
941.33929	100.0
942.34528	7.4
948.31299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
123.18666	1.0
125.02142	1.0
137.05975	1.2
141.89737	0.9
153.05240	0.9
167.07016	1.1
169.04684	0.9
169.39336	0.9
213.07408	3.1
234.55968	0.8
255.08498	1.8
266.58115	0.9
285.09436	0.9
357.11801	3.5
360.00458	0.9
375.84692	1.0
378.78665	0.9
410.13419	1.5
416.08832	1.1
481.16821	1.6
509.17508	2.2
609.55957	1.0
701.24518	1.6
725.24261	2.7
729.23206	1.8
743.25177	3.3
744.26361	1.4
941.33966	100.0
942.34314	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	941.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00730	0.6
67.05499	2.2
69.03415	3.8
69.07056	0.7
71.04994	1.1
73.02900	2.8
79.05474	2.9
81.03399	3.7
81.07060	2.6
85.02888	4.9
87.04491	0.6
91.03922	2.7
91.05487	2.2
93.07049	2.2
95.04958	1.0
95.08601	1.7
97.02873	4.7
97.06525	0.7
97.25618	0.6
98.16557	0.6
98.23536	0.8
99.04431	0.6
101.02380	1.2
105.07034	1.2
112.68187	0.6
115.03976	1.1
121.10115	0.8
127.03923	1.1
131.08537	1.3
133.10135	1.2
145.05089	0.6
149.09669	1.2
175.11201	0.7
185.04239	0.7
193.12270	1.0
203.05400	0.8
216.77757	0.5
236.56964	0.6
243.08421	1.7
265.28149	0.6
283.15128	3.0
335.25903	1.0
339.17886	0.7
347.09576	2.2
365.10562	1.4
405.13660	6.3
501.22919	8.7
518.85059	0.6
519.29114	3.9
644.11444	0.6
663.28149	7.9
681.34448	4.7
765.73950	0.7
779.45245	2.0
823.26361	0.7
941.50525	100.0
942.50549	4.7
950.64594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.6
68.24272	0.6
69.03416	2.9
69.07076	1.1
71.01365	1.3
71.04985	57.3
71.44406	0.8
73.02905	2.8
75.04474	4.8
79.05501	1.2
81.03400	1.6
81.07052	4.0
83.04973	20.9
83.08615	1.0
85.02894	100.0
87.04453	1.8
91.05473	1.9
93.07043	4.0
95.08598	9.1
97.02882	6.5
97.06481	0.7
99.04436	1.6
105.07006	3.5
107.08561	5.3
109.02877	1.4
109.10130	6.6
111.04427	10.6
119.08566	6.2
120.72810	0.7
121.10110	6.3
123.11691	1.1
127.03880	7.6
129.05464	54.1
131.08563	1.0
133.10103	7.6
135.08049	1.6
135.11742	3.2
144.06561	1.1
145.04939	7.3
145.10130	2.3
147.06496	22.0
147.11647	5.0
149.13239	2.5
155.57571	0.7
159.11688	2.2
161.09592	0.9
161.13245	3.3
162.07607	1.1
163.05995	3.7
163.11137	3.6
163.14832	5.2
165.07529	1.2
171.06538	0.8
171.77853	0.7
173.13261	1.8
175.11128	0.7
175.14795	4.8
177.16408	5.1
180.38422	0.7
187.14763	5.1
189.16371	6.9
191.17952	2.4
193.08641	0.8
200.42107	0.7
201.16350	4.3
203.17924	20.2
205.15848	12.7
207.17429	1.6
215.17952	2.2
217.98817	0.8
219.17427	0.8
225.07524	1.0
227.17932	0.9
229.19388	1.2
237.07558	1.0
241.19481	0.8
245.19006	0.7
247.16933	1.3
249.18449	2.2
255.08548	4.1
255.20641	0.9
261.18643	0.9
273.09616	6.2
283.24142	1.2
288.67368	0.7
291.10699	1.0
299.91287	0.7
309.11734	7.9
391.33511	2.5
409.34589	33.1
410.35126	1.3
411.36298	0.8
437.34116	13.5
455.35101	15.1
546.90173	0.7
565.38641	1.4
901.05127	0.8
910.50000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	2.2
69.03421	4.3
69.07068	1.4
70.38480	1.0
70.38862	3.0
71.04989	54.6
71.19749	1.0
73.02915	2.2
75.04486	5.0
79.05470	1.2
81.03422	2.1
81.07057	5.3
82.60347	1.0
83.04971	18.8
83.08607	2.6
83.59256	1.1
85.02899	100.0
87.04466	1.4
91.03993	1.5
91.05486	1.9
93.07029	3.6
95.08597	11.0
97.02880	8.4
99.04455	2.0
105.07041	2.8
107.08594	6.9
109.02879	1.5
109.10145	7.4
111.04462	10.4
119.08581	4.1
121.10147	7.6
123.11708	1.7
127.03909	6.5
129.05470	53.1
131.08595	3.1
133.10150	4.6
135.11717	2.7
145.04971	8.5
145.10135	3.6
147.06525	24.1
147.11710	3.6
149.13263	2.8
159.11751	3.5
161.13274	3.6
163.05975	3.9
163.14804	1.4
164.09204	1.4
171.11655	1.5
175.14803	2.7
177.16386	14.6
187.14835	2.8
189.16376	7.3
191.18033	1.5
195.17458	2.7
199.14796	1.9
201.16365	2.2
203.17969	5.8
205.15977	1.9
213.16408	2.0
215.17883	1.5
237.07680	1.5
255.08617	5.7
273.09781	4.7
309.11853	6.4
391.33539	1.6
409.34567	11.8
437.34204	18.2
455.35208	19.5
473.90649	1.2
501.37057	2.0
870.49353	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23384	3.7
73.09319	0.6
82.05363	0.6
125.02116	1.8
129.96367	0.8
153.05328	1.1
163.03947	0.7
169.04829	2.2
175.03757	2.1
178.59492	0.7
184.72734	0.9
213.07303	3.6
255.08540	2.4
256.04584	0.8
285.09457	1.0
341.12201	1.9
345.63004	0.7
357.11398	5.6
397.12561	1.0
412.14914	4.1
461.38913	0.8
463.15887	1.8
477.17416	2.6
523.17725	12.1
523.24628	1.1
524.17932	1.5
535.18530	0.8
537.19354	22.7
538.19684	1.1
539.19885	0.8
558.64246	0.9
566.14655	0.8
609.23181	2.0
631.04694	0.8
943.35339	100.0
944.35699	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	4.2
69.03420	7.7
69.07063	3.4
71.04984	33.8
73.02898	4.1
75.04472	7.4
79.05485	2.1
81.03416	2.0
81.07045	8.3
83.04964	17.8
83.08623	0.7
85.02892	100.0
87.04446	1.8
91.03935	2.1
91.05457	3.1
93.07035	6.2
95.04963	1.4
95.08592	14.0
97.02877	10.3
97.10183	1.3
99.04449	2.2
101.06019	0.6
103.03930	0.9
105.07013	8.9
107.08569	10.5
108.16213	0.5
109.02879	3.4
109.10130	11.4
111.04428	10.0
111.08038	5.5
113.05971	0.8
115.03901	1.0
117.07016	1.4
119.08552	13.5
121.10125	8.0
121.10966	0.8
123.04887	0.6
123.08115	0.7
123.11697	3.4
127.03900	11.2
129.05461	35.2
130.05737	0.6
131.08537	2.9
133.04938	1.2
133.10117	9.3
133.78601	0.6
135.04362	0.6
135.11676	4.5
139.11185	0.7
145.04935	14.1
145.10094	4.9
147.06496	18.8
147.11649	9.7
149.13222	13.7
153.09201	0.6
157.10127	0.7
159.06461	1.4
159.11668	7.3
161.13228	8.8
163.06024	4.1
163.14803	7.0
165.07582	1.9
167.10602	0.7
171.06502	0.7
171.11693	0.9
173.13240	4.2
175.14807	7.8
177.16359	6.8
179.10562	0.7
185.13275	1.2
187.14760	5.9
189.16345	18.5
191.17894	3.1
197.13118	0.7
199.14819	1.3
201.16368	14.0
203.17921	16.4
205.15889	2.2
205.19510	1.4
207.17407	7.0
213.16388	2.3
215.17946	6.7
217.15852	1.2
217.19487	1.1
219.17395	0.9
221.15298	0.8
221.18910	1.2
227.17946	1.4
229.19400	1.5
235.16867	1.9
237.07582	1.7
239.17862	1.0
241.19481	1.1
243.21135	1.1
247.16920	3.0
249.18449	2.2
255.08569	4.1
255.21115	0.7
261.18561	1.1
267.20932	0.6
273.09677	4.7
281.22595	1.0
283.24042	1.4
299.20233	0.6
309.11746	11.5
325.11224	2.0
327.23447	0.7
329.24817	1.9
343.26285	1.7
351.30334	1.4
376.04822	0.6
391.33502	4.6
396.70929	0.6
397.30923	4.0
409.34579	15.7
411.36227	1.7
425.34082	3.2
427.35590	1.7
435.32507	0.9
437.34088	43.0
438.34439	1.8
455.35159	25.1
468.32162	0.6
583.39978	3.5
953.66077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	2.1
69.03425	3.3
69.07054	3.3
70.16155	1.5
71.01350	0.8
71.04982	57.3
73.02896	2.2
75.04468	5.4
75.22894	0.7
79.05482	1.5
81.03401	2.2
81.07043	4.8
83.04973	13.3
83.08604	1.2
85.02891	100.0
86.03210	0.8
87.04449	2.0
91.03963	1.0
91.05460	1.1
93.07026	4.3
95.04926	0.8
95.08592	9.3
97.02871	8.1
97.05933	0.6
97.06539	2.0
97.10155	1.0
98.23415	0.7
99.04435	1.8
101.06023	1.1
103.03935	1.3
105.07012	2.5
107.08590	4.5
109.02878	1.8
109.10134	9.0
111.04424	8.3
111.11743	1.1
119.08544	5.1
121.10123	6.6
123.11700	3.0
126.88631	0.6
127.03913	7.7
129.05461	46.0
133.10101	3.3
135.11656	3.3
137.13232	2.9
145.04945	7.4
145.10100	1.8
147.05325	1.5
147.06497	24.9
147.11655	4.7
149.13234	5.6
157.10089	0.7
159.11696	2.7
161.13225	4.6
163.06015	1.9
163.14786	4.7
165.07558	2.1
165.12657	0.9
171.06526	0.8
173.13231	1.8
175.14833	2.6
177.16307	3.3
179.14322	2.2
180.08714	1.1
185.13202	1.8
187.14856	2.0
189.16357	8.1
191.17924	14.3
201.16362	2.2
203.17911	11.8
205.19426	3.3
215.17935	1.5
217.16093	0.7
217.19510	2.4
227.17917	0.9
229.19502	1.3
231.21014	3.7
233.22604	1.0
235.16895	2.6
237.07605	2.5
241.19617	0.9
243.21140	2.0
245.22699	1.3
247.16873	1.4
247.24254	3.1
249.18484	2.3
255.08559	4.9
255.20984	1.2
259.24338	0.7
269.22650	0.9
273.09641	7.9
279.21252	0.6
283.24295	1.1
301.25156	0.9
309.11768	11.6
329.24817	1.5
393.35031	6.8
411.36148	10.8
439.35654	23.4
440.36023	1.1
457.36694	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	945.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55600	0.2
68.68830	0.3
68.99811	0.2
69.03419	24.4
69.48830	0.4
69.49211	0.5
71.01337	0.8
71.04979	2.6
79.05479	1.0
81.03401	1.2
83.04967	7.6
85.02391	0.4
85.02886	4.5
87.04459	0.4
89.03906	5.1
95.04945	0.9
97.02887	0.4
97.23727	0.2
99.04446	0.4
107.04953	1.8
108.85340	0.2
109.02839	0.7
111.03657	0.4
111.04428	8.1
113.05987	0.3
117.03361	6.4
121.02848	2.0
127.03904	0.6
129.05460	12.5
129.98599	0.3
135.04401	14.1
136.04701	0.3
137.02292	0.3
137.05939	0.5
145.02824	10.9
147.04361	0.6
151.07487	0.2
153.01845	1.2
153.05423	0.7
156.48615	0.2
157.06427	0.3
163.03877	100.0
164.04196	1.0
165.01813	0.8
165.09120	0.3
167.06979	0.4
171.04405	0.2
171.06519	0.5
177.05505	0.3
181.04924	1.4
183.02919	0.5
189.07559	6.2
203.07025	0.3
213.05466	0.7
229.04874	0.2
231.06424	0.8
239.09059	0.5
241.04872	0.5
259.06039	0.3
273.07535	0.6
287.05453	59.8
288.05844	1.0
299.05579	0.6
307.08133	1.2
317.12192	0.5
325.09177	1.8
329.06491	1.3
335.13446	0.3
359.14948	0.4
379.08490	0.3
397.09039	1.4
415.10788	0.3
433.11203	2.3
442.69910	0.2
475.12103	0.9
496.80341	0.2
526.68787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	0.1
68.99795	0.1
69.03420	16.6
70.03755	0.1
71.01342	0.7
71.04987	1.7
71.05385	0.1
77.03926	0.1
79.05482	0.6
81.03408	2.3
81.03891	0.1
83.04970	5.5
84.05265	0.1
85.02892	2.7
87.04463	0.3
89.03901	3.9
91.05462	0.1
95.04948	0.4
95.18800	0.1
97.02898	0.4
98.23453	0.1
99.04450	0.3
101.05952	0.1
105.03383	0.1
107.04936	1.4
109.02859	1.0
111.00825	0.1
111.04430	5.6
117.03367	5.1
121.02846	1.4
123.04366	0.1
127.03919	0.5
129.05460	8.1
133.02925	0.1
135.04398	11.7
136.04758	0.1
137.02341	0.3
145.02829	10.1
146.03136	0.1
147.04367	0.2
151.03900	0.1
153.01807	0.7
153.05470	0.2
157.06430	0.1
163.03879	100.0
164.04222	1.0
165.01733	0.3
171.06586	0.1
175.03786	0.1
181.04922	4.1
183.02859	0.2
185.05946	0.2
189.07547	4.1
213.05487	0.3
217.04816	0.1
229.08601	0.1
231.06451	0.3
239.08981	0.1
241.04956	0.2
257.10056	0.1
258.05206	0.3
259.06064	0.2
265.06647	0.1
273.07462	0.4
273.52658	0.1
286.04642	0.2
287.05457	30.8
288.05826	0.7
289.07083	0.1
291.08554	0.2
299.05505	0.7
300.06238	0.2
307.08081	3.9
311.05414	0.2
317.12454	0.2
325.09177	4.7
326.09323	0.1
329.06509	1.0
337.07217	0.1
351.11041	0.4
353.06393	0.1
379.08017	0.6
397.09079	1.0
415.10211	0.3
433.11337	0.9
435.12622	0.3
457.11127	0.4
475.12311	1.1
513.15881	0.1
567.96155	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	945.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.3
69.03405	0.8
69.39179	0.7
71.01346	0.3
71.05008	0.4
79.05498	0.3
79.57404	0.2
81.03407	1.1
81.43188	0.2
83.04968	44.7
84.05309	0.3
85.02891	100.0
86.03224	0.6
87.04452	1.2
87.93707	0.2
89.03902	1.6
95.04975	0.3
97.02869	0.4
98.23441	0.4
99.04475	0.5
101.05990	0.4
107.04946	0.6
109.02863	0.6
110.26402	0.2
111.04427	23.4
113.05989	0.3
117.03356	2.6
121.02844	1.0
127.03893	5.2
129.05461	14.3
135.04399	5.6
145.02832	4.4
147.04384	0.2
153.01779	0.3
163.03876	43.9
164.04254	0.6
171.06494	79.3
172.06842	0.7
181.04935	2.1
189.07550	18.1
190.07864	0.3
272.92889	0.2
287.05469	8.9
288.05756	0.3
299.05490	0.5
307.08124	2.0
311.05353	1.0
323.05231	0.2
325.09277	2.1
329.06445	1.0
353.06348	0.5
371.07571	0.5
379.07916	0.4
397.08951	0.3
415.09763	0.3
433.11160	0.2
457.11072	0.8
475.12097	1.4
945.32220	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	945.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.3
69.98176	0.5
71.01335	0.2
71.04980	19.6
75.04465	1.6
79.05486	1.0
80.29119	0.2
81.03404	2.5
83.04967	12.7
85.02890	7.2
87.04459	2.3
89.03901	4.8
95.04961	0.5
97.02866	0.8
99.04419	1.0
101.05963	0.2
107.04926	1.4
109.02863	0.9
111.00786	0.3
111.04424	22.9
113.02372	0.3
113.05986	7.6
115.03889	1.4
117.03364	5.0
117.04712	0.3
117.05478	4.0
121.02866	1.7
123.04391	0.2
125.05932	0.3
127.03907	0.9
129.05455	30.6
130.05777	0.4
133.02859	0.2
135.04393	13.2
136.04683	0.2
137.05928	0.2
145.02826	9.9
147.04276	0.2
151.03886	0.2
153.01810	1.1
153.05444	0.8
163.03873	100.0
164.04211	1.3
165.01773	0.5
167.06929	0.2
171.06490	9.7
175.03912	0.2
181.04927	3.9
181.06396	0.3
183.02901	0.3
189.07545	17.4
197.50385	0.2
203.03395	0.2
203.23755	0.2
213.05388	0.4
229.08614	0.3
231.06546	0.2
239.09180	0.5
241.04927	0.4
258.05066	0.2
273.07538	0.3
278.46741	0.2
287.05447	28.8
288.05759	0.7
291.08633	0.6
299.05392	1.5
307.04526	0.1
307.08081	3.5
325.09143	4.6
326.45126	0.2
329.06461	0.6
353.06586	0.4
379.08017	0.7
397.09021	0.9
405.05737	0.6
406.06332	0.8
407.06705	0.3
415.10245	0.4
433.11240	0.6
435.12820	0.5
447.06931	0.5
448.07288	0.5
449.07376	0.3
457.11172	0.6
475.12219	0.9
490.14313	0.2
519.20636	0.2
597.08221	0.2
704.12354	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	946.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	9.4
69.03419	23.4
69.07050	7.1
70.03075	3.4
71.04988	3.3
71.89815	1.0
73.02525	1.8
73.02904	14.4
76.04623	1.0
79.05486	4.6
81.03411	8.8
81.07050	31.6
81.07498	2.3
83.08604	5.1
85.02895	98.8
87.04465	1.9
91.03951	5.5
91.05487	4.1
93.07026	6.8
95.08592	48.3
97.02884	39.0
97.10183	3.6
99.04441	5.2
101.02361	1.4
105.07024	4.8
107.08568	8.3
109.02876	9.7
109.10134	28.8
111.11720	2.0
115.03929	7.3
119.08569	6.6
121.10138	9.9
123.11698	26.4
123.84606	1.1
127.03898	26.5
131.04944	1.3
131.08566	8.4
133.04962	4.5
133.10109	7.6
135.11710	7.5
137.05984	4.8
137.13242	27.0
143.08502	1.6
144.06506	1.6
145.04941	42.2
145.10101	7.1
147.11694	4.5
149.13246	5.3
151.14799	6.4
157.10156	3.4
158.58479	1.2
159.11682	5.8
161.05956	1.5
161.13303	6.6
163.05980	13.2
163.14830	3.2
167.68884	1.3
171.11678	12.8
173.13254	9.9
175.14777	2.7
177.05415	2.1
177.16354	2.6
179.17935	18.3
185.13283	4.1
187.11079	1.4
187.14806	4.1
189.09059	1.3
189.12717	3.1
189.16431	4.1
191.14264	1.5
191.17937	6.7
193.19534	1.4
196.88974	1.4
199.14752	5.4
201.16356	7.5
203.10593	1.3
203.17963	3.5
205.19501	2.9
213.16377	3.4
215.17909	2.7
217.07144	1.3
217.12210	14.0
217.19446	1.4
219.13763	6.0
227.17976	4.0
239.17929	1.5
241.07062	2.5
245.15401	3.2
247.16927	2.0
249.88351	1.2
255.21223	1.5
259.08200	5.4
259.16995	1.4
259.20599	2.3
273.18503	1.4
275.16379	3.8
285.21851	1.7
289.09204	1.7
295.10248	6.2
323.09375	1.2
324.13098	1.5
325.11267	5.1
351.30359	14.5
369.31418	4.1
391.33585	2.7
397.30969	19.1
409.34583	28.0
427.35641	2.3
437.34036	4.6
453.33563	3.7
453.82901	1.1
455.35150	100.0
456.35464	3.4
501.35794	7.4
581.37964	1.8
599.39136	2.1
617.40912	1.4
744.46399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	4.9
69.03423	16.7
69.07074	4.2
69.80045	0.8
71.04987	1.5
73.02915	7.5
79.05490	3.4
80.32228	0.9
81.03409	7.1
81.07050	22.8
83.01338	1.0
83.08624	3.6
85.02893	69.5
87.04456	2.0
91.03943	2.8
91.05476	3.1
93.07034	7.2
95.08594	29.1
97.02249	1.6
97.02879	28.4
97.10163	1.6
98.22689	1.7
99.04463	2.9
103.05455	0.9
105.07008	4.3
107.08576	8.6
109.02863	7.9
109.10149	19.2
115.03918	3.5
117.07020	1.4
119.08551	4.9
121.10124	9.8
123.11694	15.8
123.12529	1.3
127.03900	20.0
129.06946	1.0
131.08565	6.2
133.04976	3.1
133.10100	6.0
135.11664	7.5
137.05940	2.4
137.13231	16.2
137.14165	1.3
143.08601	1.4
144.06563	1.8
145.04941	30.2
145.10085	3.9
147.11678	5.1
149.13251	5.1
151.14801	3.8
152.98476	0.9
157.10132	2.0
159.11618	4.3
161.09624	1.1
161.13251	5.1
163.06000	8.0
163.14789	4.4
167.06892	0.8
171.11658	6.7
173.13248	6.9
175.07536	1.0
175.14803	4.0
177.16348	2.0
179.17920	11.1
180.08670	1.7
183.11690	0.9
185.13306	2.2
187.14783	3.5
189.12703	1.2
189.16414	4.2
191.14316	1.0
191.17886	10.6
197.13211	0.9
199.14876	3.2
201.16420	5.0
203.17934	2.9
205.19479	2.5
210.74246	0.8
213.16409	2.0
215.17931	1.3
217.12193	8.3
217.19518	2.0
219.17296	1.0
223.06064	1.0
225.12325	0.8
225.16356	1.1
227.17911	1.7
229.19531	1.1
231.17390	1.5
241.06976	1.3
241.19522	1.7
243.20972	0.9
245.15448	1.7
247.20728	1.0
255.21028	1.3
257.18951	1.0
259.08157	2.5
259.17047	0.9
271.05862	2.0
271.20709	1.3
273.21893	0.9
275.16376	2.4
277.09006	1.0
289.09042	1.1
295.10226	2.4
299.23590	1.0
300.23459	0.8
324.13120	1.1
324.31979	0.8
325.11234	1.6
351.30447	5.5
369.31366	2.1
391.33734	4.3
397.30933	8.3
409.34610	32.1
425.34174	1.1
427.35645	7.0
437.34058	6.0
453.33994	1.0
455.35147	100.0
456.35428	3.0
473.36224	1.6
541.38562	1.0
553.87103	0.9
559.39685	0.9
569.37927	1.5
617.40076	0.9
946.32080	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	11.6
69.03417	21.4
69.07069	9.1
73.02904	17.8
79.05486	10.7
81.03403	6.4
81.07048	36.6
83.08623	4.6
85.02895	99.0
87.04455	4.1
91.03930	2.4
91.05481	10.8
93.07037	27.6
95.08598	46.9
97.02886	47.7
97.10189	2.6
99.04404	2.6
103.05442	3.4
105.07026	26.2
107.08588	29.5
109.02843	6.6
109.10138	30.7
115.03957	10.7
117.06989	3.1
119.08569	23.6
121.10132	24.8
122.03613	3.0
123.11686	8.7
127.03888	20.9
131.04893	2.9
131.08534	12.5
133.04964	18.0
133.10107	22.7
135.11679	18.1
137.05952	7.8
137.13263	5.6
143.08575	5.4
145.04950	47.2
145.10115	16.6
147.04434	2.2
147.11649	21.4
149.13255	25.1
151.03998	2.1
151.14746	2.2
157.10086	7.4
159.11621	12.9
161.13171	16.2
163.03882	3.8
163.06010	20.5
163.07361	3.1
163.14790	10.1
167.06923	2.2
169.10059	2.7
171.11702	6.2
173.13242	9.3
175.07388	2.2
175.14833	16.0
177.16344	25.3
185.13217	9.4
187.14813	28.8
189.16373	26.9
191.17902	6.3
195.17558	4.8
199.14793	5.6
201.16295	11.9
203.17934	34.9
205.15854	4.1
207.17438	6.2
213.16333	9.3
215.17859	7.2
217.19527	4.1
219.13693	3.1
227.17921	4.8
229.19443	3.9
233.15332	6.7
239.17879	2.7
241.19377	5.6
245.18819	2.9
247.17076	2.4
255.21114	2.7
259.08136	9.1
259.16782	5.0
295.10144	6.0
325.11282	5.3
327.22897	3.0
351.30359	8.5
355.26666	2.4
381.27243	3.2
391.33594	11.0
397.30710	4.2
409.29764	3.6
409.34613	42.1
437.34103	100.0
438.34589	3.8
455.35071	40.2
473.36234	5.0
535.19196	3.3
537.01984	3.1
642.04169	2.5
900.72119	2.8
946.32916	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	949.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01855	0.2
68.99776	0.7
69.03426	0.7
70.88913	0.2
71.01345	0.7
73.02911	1.0
75.81790	0.1
79.05488	0.7
81.03407	2.3
83.04976	1.4
85.02900	3.6
89.03905	5.1
91.77116	0.1
93.03417	0.3
95.01321	0.4
95.04948	0.6
96.85734	0.2
97.02871	0.5
99.04447	0.2
105.04483	0.1
107.04950	2.0
109.02853	1.0
111.00787	0.6
111.04416	0.4
113.02322	1.0
117.03367	5.8
121.02839	0.9
121.38850	0.1
123.04431	0.2
127.03904	0.9
129.05458	0.4
129.28990	0.2
131.03392	0.4
135.04401	12.9
137.02315	3.9
137.03355	0.3
141.01831	0.4
145.02829	9.9
149.02332	0.6
153.01796	3.2
153.02898	0.3
157.06544	0.1
159.02867	0.6
161.05977	0.3
163.03882	81.8
164.04210	1.2
165.01801	2.0
166.02655	0.2
167.13414	0.2
173.06023	0.3
177.05429	0.2
181.04924	2.8
183.02895	0.6
183.04364	0.2
187.03897	0.3
195.02872	0.2
201.05399	1.1
213.05429	0.2
219.06424	0.2
227.06898	0.2
229.04927	3.8
246.05260	0.2
247.05885	0.8
257.04410	2.7
273.07468	0.2
274.04761	0.7
275.05658	0.2
285.03894	1.6
286.04608	0.2
299.94696	0.2
303.04947	100.0
304.05289	2.2
307.08102	3.5
315.04874	0.2
325.09164	3.0
326.09113	0.2
345.05917	0.3
406.43921	0.2
426.10330	0.2
435.12903	0.2
449.10709	1.8
479.08151	2.6
537.78540	0.2
625.13831	0.2
650.86493	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	954.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	2.3
67.31986	1.1
69.03409	1.4
69.16179	5.2
70.06615	1.1
71.04977	13.5
76.76628	1.0
79.05460	2.4
81.03407	15.2
82.04142	1.4
85.02901	5.5
85.06534	4.1
86.09692	1.3
91.05465	5.7
93.03439	1.4
93.07015	1.1
94.04185	1.9
95.04975	6.4
97.02866	3.0
103.05450	6.1
104.10736	2.8
105.07012	4.6
106.04163	2.2
107.04942	4.8
109.02873	2.8
110.03662	1.9
111.04436	4.8
113.06010	4.3
115.05448	4.9
117.07033	2.4
119.04926	2.3
119.08581	1.2
121.06484	3.4
122.03662	6.9
123.04362	2.2
123.08146	1.1
125.05966	4.3
127.03889	2.2
127.07529	11.6
128.06221	1.3
129.06975	4.9
129.78239	1.0
131.04907	12.3
131.07027	4.6
133.02844	8.5
133.06488	3.6
137.05956	100.0
138.03082	1.3
138.06313	1.6
139.03928	1.2
141.05435	1.6
143.04871	2.4
143.06133	1.3
144.05623	1.4
145.06548	7.0
145.08571	40.6
147.04399	2.0
147.08025	2.2
149.05980	5.8
151.03896	5.2
151.07515	2.3
153.05455	7.5
155.07031	3.8
156.05721	1.6
157.06453	3.6
159.04379	1.2
160.05145	3.4
161.05952	7.3
163.03941	1.9
163.07512	4.7
165.05446	3.2
167.07034	12.0
171.06512	5.8
173.05971	4.3
173.08040	2.7
174.06686	2.2
175.07549	8.5
177.05446	4.5
177.09035	1.1
178.06270	2.4
179.06992	3.7
181.04924	76.7
185.05923	1.5
187.07516	8.0
189.05504	1.8
189.09122	3.0
191.06946	5.0
191.09113	2.2
193.08664	1.5
201.05467	2.5
201.09108	1.8
203.06970	8.4
203.08644	1.4
205.08546	11.4
207.06346	1.6
207.08191	1.4
209.08043	3.4
211.67072	1.4
215.06969	4.8
217.08559	11.7
219.08151	1.4
219.10033	2.0
221.07976	1.9
229.08546	1.7
233.07965	9.1
234.06621	2.2
235.07471	5.3
235.09639	3.5
237.09050	2.2
239.07011	1.3
245.07983	1.7
247.07414	2.4
247.09723	2.8
248.08348	1.2
249.09064	4.4
250.09831	1.3
251.06920	2.4
251.09131	4.4
252.07663	2.1
255.10492	1.4
257.08066	3.3
263.06961	4.8
263.09171	2.8
264.07761	1.8
265.08725	1.8
266.09268	1.7
267.10089	4.0
269.08051	1.5
272.06790	1.1
275.11237	5.0
277.08456	4.1
278.09299	1.6
279.06628	1.1
279.10068	3.0
281.10355	1.6
291.10074	1.8
292.07361	2.7
294.08658	1.4
295.09668	4.6
296.10541	1.4
297.11118	2.4
299.08957	2.1
301.10596	4.9
307.09525	7.1
309.11206	4.2
311.12665	1.7
315.12231	2.2
319.09705	1.4
321.11108	2.5
323.08948	1.5
325.10596	2.5
327.12198	4.0
335.13153	1.5
336.13724	1.4
337.10745	2.2
339.12271	9.5
341.13733	6.5
351.12219	1.7
353.13782	5.4
355.11606	6.3
355.15494	2.7
357.13306	4.3
365.13770	3.1
369.13284	9.9
371.14777	10.4
373.12775	2.5
387.14328	70.0
388.14572	2.1
397.16522	1.5
405.15378	21.7
489.18951	2.6
501.18710	3.5
519.20068	7.4
602.03589	1.2
954.37665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04727	0.9
67.05493	2.7
69.03421	2.6
70.06590	0.6
71.04977	13.8
79.05482	3.2
80.01731	0.5
81.03406	15.0
81.03889	0.8
81.07043	1.2
81.51454	0.6
85.02889	7.1
85.06530	3.3
91.05472	4.2
93.03383	1.6
94.04163	3.0
95.04958	4.6
97.02871	1.7
97.06531	1.2
98.23471	1.0
103.03933	0.8
103.05456	3.4
105.04476	0.9
105.07010	3.2
107.04940	3.8
108.02105	0.9
109.02851	1.5
109.06490	2.4
110.03648	2.1
111.04432	3.3
113.05988	3.2
115.05416	4.2
117.07004	3.4
119.04932	1.9
119.08549	1.1
121.06477	1.3
122.03629	8.1
123.04435	0.8
124.05225	1.2
125.05961	3.2
127.03907	1.7
127.07524	8.8
128.06190	1.3
129.06992	3.5
130.04120	0.6
131.04916	9.4
131.06990	3.1
131.08540	0.7
133.02834	7.5
133.06467	3.2
137.05951	100.0
138.03110	1.1
138.04575	0.7
138.06302	2.0
141.05437	1.3
143.04904	1.6
144.05641	1.7
145.04945	0.8
145.06470	6.6
145.08566	36.2
146.03548	1.3
147.04338	2.3
147.08015	2.7
149.05951	3.4
151.03915	4.7
151.04962	1.1
151.07535	2.8
153.05434	7.7
155.04918	1.2
155.06001	0.7
155.07005	3.7
156.05693	1.7
157.06462	2.9
159.04355	2.0
159.08028	2.3
160.03934	0.6
160.05139	3.2
161.05965	6.1
163.07512	3.8
165.05452	3.7
165.06706	0.8
167.07016	10.1
169.06418	1.1
171.04369	1.3
171.06549	5.5
171.07832	1.0
172.05086	1.1
173.05943	3.8
173.08064	3.3
174.06732	1.8
175.03920	0.6
175.07518	10.3
176.04729	0.7
177.05435	2.3
177.09131	0.8
178.06252	2.7
178.07614	0.8
179.06975	1.9
181.04924	85.6
182.05232	1.3
183.06476	0.7
185.05923	1.3
187.07524	5.8
189.05402	2.1
189.07057	0.8
189.09093	2.7
190.06149	1.5
191.07001	3.3
191.08890	2.0
193.05003	0.8
193.08595	2.3
197.05952	1.1
201.05399	2.7
201.09109	1.7
203.06943	7.1
203.08646	1.1
205.06613	0.9
205.08548	11.5
207.06432	1.4
207.08069	1.6
211.07562	0.6
215.06982	4.0
217.06633	1.2
217.08569	10.6
219.06265	1.1
219.08052	1.9
219.10072	1.3
221.05928	1.2
221.08020	2.3
224.08452	0.6
229.08530	2.1
231.06320	1.0
233.05864	1.0
233.07965	7.6
233.09772	0.8
234.06714	1.2
235.07471	5.6
235.09639	4.5
236.08278	0.8
237.09122	1.4
239.06964	0.8
241.08533	0.8
245.08086	1.4
247.07487	1.8
247.09662	1.7
248.08304	1.4
249.08997	2.9
250.09891	0.7
251.06953	1.0
251.09004	4.6
252.07779	2.2
253.08595	2.3
254.09203	0.8
255.10092	1.3
257.08096	3.8
257.10272	1.1
261.09131	1.2
262.06232	0.9
263.06924	5.3
263.09232	2.3
264.07834	2.7
265.08563	2.5
267.07141	0.9
267.10080	5.6
269.08029	1.4
271.09497	0.7
275.11334	3.9
276.07874	0.8
277.08563	3.8
279.06491	0.7
279.10046	2.0
280.07364	0.9
280.10815	1.3
281.10040	1.2
282.08829	0.9
283.09717	0.7
291.10101	1.6
292.07169	2.1
293.07678	0.9
294.08841	1.1
295.09589	4.1
296.10361	1.1
297.11154	2.7
299.09085	2.1
301.10608	1.7
305.07962	0.9
305.11548	1.0
307.09656	4.6
308.10245	1.1
309.11130	2.9
311.09296	0.7
311.12579	1.1
313.10641	1.1
315.12158	0.8
321.11133	2.9
323.12363	0.9
325.10571	2.5
325.14032	0.8
327.12137	4.0
337.10828	2.7
337.14246	0.7
339.12195	7.5
341.13760	6.6
351.12152	1.1
353.13678	5.7
355.11465	3.8
355.15506	2.2
357.13419	3.6
359.14651	0.8
365.13803	3.5
369.13214	9.5
371.14838	9.6
373.12619	2.7
387.14301	74.9
388.14536	2.3
395.14801	0.6
405.15366	24.4
406.15573	1.0
429.11615	0.6
458.37848	0.7
465.17737	0.8
483.18362	0.9
489.18988	1.8
501.19046	4.0
503.20279	1.3
519.19897	5.7
761.79657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6127
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05162	3.3
67.05499	42.3
69.07058	12.2
73.02890	5.2
79.05478	36.1
80.09480	2.7
81.07045	53.0
83.08611	5.8
85.02885	15.3
91.03958	8.4
91.05458	21.2
93.07031	35.0
95.04954	4.8
95.08599	38.1
97.02884	4.6
97.06478	3.2
97.10162	3.7
97.28918	3.1
105.07030	18.3
107.08595	22.2
109.10151	12.6
114.28854	3.8
117.07016	7.1
119.08556	13.5
121.10119	15.8
123.11691	8.1
127.03879	4.7
130.48970	3.6
130.84869	3.0
131.08577	12.0
133.10118	8.9
135.11699	11.7
145.04927	5.1
145.10141	6.6
147.11674	10.6
149.13278	7.8
159.11681	10.3
161.13243	5.4
163.05992	8.5
163.14838	5.2
173.13232	7.4
187.14848	3.8
187.69637	2.9
241.19473	3.6
259.20630	10.7
261.22141	19.7
317.24622	6.0
333.24237	4.2
335.25772	100.0
337.27350	14.5
508.08792	3.5
595.47040	17.0
613.48468	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.4
69.03419	4.1
69.07066	1.2
69.70243	0.9
69.70603	0.7
71.01339	1.4
71.04981	55.8
73.02901	3.0
74.13438	0.4
75.04462	5.7
76.41211	0.4
79.05487	1.4
81.03414	1.6
81.07047	3.2
82.09866	0.4
83.04967	21.3
83.08614	1.4
85.02892	100.0
86.03201	0.6
87.04459	1.8
91.03957	0.5
91.05451	1.9
93.07023	3.9
95.04959	0.9
95.08590	7.5
97.02879	8.1
97.10146	0.6
99.04443	1.5
99.08053	0.6
101.05996	1.0
102.15355	0.4
103.03931	1.4
105.07011	4.2
107.08577	7.0
109.02863	1.7
109.10149	6.6
111.04425	11.4
111.08084	0.7
117.06960	1.2
119.07732	0.8
119.08558	13.0
121.10121	6.4
123.11679	1.5
125.09606	0.4
127.03898	8.7
129.05458	48.3
131.08553	3.7
133.10129	7.6
135.08040	1.8
135.11662	2.9
137.13191	0.8
143.08514	0.6
145.04921	8.3
145.10114	8.5
147.06502	26.5
147.11641	4.8
149.09581	1.1
149.13219	1.8
151.07553	0.4
157.10071	1.5
159.08176	0.4
159.11662	6.5
161.13229	3.1
163.05972	4.6
163.07350	0.8
163.11140	6.0
163.14780	5.7
165.07532	1.4
171.06458	0.7
171.11642	1.1
173.11737	0.7
173.13210	5.1
175.11185	1.3
175.14796	4.4
177.09052	0.5
177.12738	1.2
177.16350	5.4
183.11618	0.7
185.13211	2.9
187.14801	11.3
189.16376	6.5
191.14267	0.9
191.17952	1.0
199.14717	2.1
201.16344	13.4
202.16603	0.5
203.14241	0.7
203.17924	7.0
205.15839	15.0
207.17357	1.6
211.14595	0.4
213.16293	1.5
215.14418	0.4
215.17912	2.0
217.19427	0.6
219.17439	4.7
221.19127	0.4
225.07442	0.9
227.17790	1.4
229.15738	0.7
229.19432	0.6
231.17348	0.8
233.15347	0.6
233.18925	0.5
237.07549	2.4
241.19312	0.6
243.08461	0.7
244.42586	0.5
245.18930	0.9
247.16872	1.3
255.08591	5.8
265.17767	0.9
273.09647	8.1
277.17953	1.0
281.22379	0.6
289.09027	0.4
291.10425	0.6
309.08484	0.7
309.11755	11.2
325.11081	0.6
345.23840	0.7
389.32065	2.1
407.33008	36.8
408.33197	1.0
409.34518	6.1
425.34082	10.6
426.91855	0.4
435.32541	2.7
451.32080	0.6
452.78528	0.5
453.33588	18.9
454.33896	0.5
471.34613	15.1
535.37476	0.6
563.36273	0.5
581.37372	0.7
599.38367	0.4
685.67804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.9
69.03420	3.6
69.07063	2.4
69.74001	2.8
71.01336	1.2
71.04985	63.2
73.02920	2.4
75.04471	5.6
79.05488	3.4
81.03411	3.4
81.07043	7.0
83.04972	12.3
85.02892	100.0
87.04464	1.8
91.05471	2.2
93.07047	8.0
95.04971	1.3
95.08596	13.8
97.02881	7.4
99.04449	1.9
103.03969	1.5
105.07032	9.1
107.08578	10.7
109.02855	2.0
109.10141	9.1
111.04421	11.9
111.08072	1.2
115.90646	1.1
117.07019	1.7
119.08563	15.4
121.06476	1.5
121.10114	10.9
123.08051	3.1
123.11728	1.7
125.09598	2.6
127.03903	9.5
129.05464	38.0
129.06949	1.5
131.08557	4.1
133.10114	12.3
135.11697	4.0
143.08551	1.9
145.04929	7.7
145.10091	10.5
147.06491	19.8
147.11639	5.8
149.13258	5.3
150.54160	1.1
157.10124	2.5
159.11684	8.4
161.09589	3.7
161.13239	6.4
163.05995	2.5
163.14815	6.9
165.07623	1.1
173.13269	5.7
175.11137	1.7
175.14803	8.4
177.16359	6.6
179.33220	1.1
180.08736	1.5
185.13254	1.8
187.14803	12.3
188.15407	1.2
189.12755	3.9
189.16344	14.9
191.14302	13.5
191.17943	4.6
193.15851	1.8
199.14764	6.0
201.16359	17.4
203.14442	1.6
203.17921	13.9
205.15886	4.6
210.74248	1.1
213.16360	5.8
215.17953	3.7
217.15768	1.9
219.17427	6.5
221.15369	1.8
225.16301	1.6
227.17940	2.3
229.19499	3.2
231.17456	3.1
235.16896	2.3
241.19429	1.3
247.16837	5.3
249.18628	1.4
255.08655	4.9
261.18561	3.8
273.09668	6.7
281.22620	1.3
283.24237	1.3
303.03659	1.2
309.11737	8.1
327.23193	4.8
389.32007	1.8
395.33051	13.4
407.32959	12.6
409.34576	2.1
423.32507	3.2
425.33984	11.5
435.32474	19.8
441.33527	15.1
453.33609	27.1
471.34659	48.7
472.79608	1.1
581.38098	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	4.6
69.03421	5.3
69.07053	2.4
70.02065	2.2
71.01354	1.3
71.04983	62.4
73.02905	3.4
75.04488	5.7
79.05477	4.1
79.70339	0.9
81.03415	3.3
81.07049	10.8
83.04971	13.8
83.08614	1.7
85.02891	100.0
87.04465	2.1
90.98087	0.9
91.05460	4.8
93.07028	9.4
95.08590	16.2
97.02870	7.4
97.06480	1.1
97.10183	1.4
99.04460	2.5
105.07014	10.8
107.08576	18.4
109.02855	2.4
109.06464	0.9
109.10127	9.1
111.04417	9.4
111.08103	1.3
117.06988	1.9
119.08555	14.2
119.09312	1.3
121.06534	1.1
121.10136	11.4
123.08053	1.2
123.11710	3.6
125.09618	15.1
125.10503	1.3
127.03899	8.6
129.05463	40.8
131.08565	6.0
131.81046	0.8
132.30728	0.8
133.10101	15.5
135.08058	1.1
135.11656	5.8
137.09624	1.5
143.08568	2.5
145.04944	6.6
145.10110	8.7
147.06509	22.1
147.11696	9.1
149.09616	1.1
149.13249	3.5
151.11186	1.0
157.10153	2.8
159.11674	8.2
161.09515	1.2
161.13216	5.8
163.05983	2.9
163.11198	1.4
163.14819	3.8
165.07607	1.0
169.10056	0.8
171.11671	4.0
173.13214	7.5
175.11307	1.4
175.14781	16.9
175.16159	1.3
177.16373	3.4
179.14297	0.8
183.11658	1.2
185.13261	3.6
187.14799	11.7
189.12715	1.8
189.16344	6.3
191.14264	5.9
191.17873	1.8
193.15871	12.2
199.13249	0.8
199.14764	4.7
201.16354	14.7
203.17863	4.5
205.15872	4.5
211.14857	2.0
213.16388	5.5
215.17934	4.8
217.15851	2.1
219.17487	2.3
219.80278	0.8
225.16350	1.5
227.17935	1.2
229.19440	2.0
231.17392	0.8
233.15332	1.6
235.16856	0.9
241.19383	1.8
246.37753	0.9
255.08543	5.1
259.16949	2.8
261.18466	3.6
273.09586	3.4
281.22586	2.5
283.24115	3.7
309.11609	6.0
327.23166	3.1
329.24652	1.4
341.24512	6.4
389.31747	3.9
395.33322	1.8
407.33008	18.7
408.98563	1.0
409.34903	1.1
423.32321	4.2
425.34073	6.7
435.32474	18.8
441.33554	1.7
453.33585	22.2
454.33340	0.9
471.34647	52.9
472.34961	1.2
614.91870	0.9
633.39716	2.5
898.27960	1.0
958.29248	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60127	0.2
69.03419	15.7
71.01331	0.6
71.04987	1.7
72.36124	0.2
77.28352	0.2
78.04692	0.4
81.03405	2.3
83.04967	4.9
85.02896	2.9
85.03391	0.3
87.04450	0.4
88.37109	0.2
89.03368	0.4
89.03899	5.0
91.05457	0.4
95.04951	0.3
95.12838	0.2
95.40511	0.2
97.02863	0.5
98.22607	0.4
99.04426	0.4
101.06009	0.3
105.03381	0.3
109.02895	1.5
111.04424	4.5
117.03360	14.0
121.02849	1.4
121.06418	0.2
127.03886	0.8
129.05460	7.8
134.03587	1.0
135.04381	0.7
137.02419	0.4
137.05934	0.6
145.02824	40.3
145.08559	0.4
146.03206	0.5
147.04381	0.4
149.04837	0.4
149.05963	5.0
153.01802	0.8
153.05420	0.2
162.03120	0.2
163.03859	0.8
165.01756	0.3
175.03622	0.4
175.07372	0.2
177.05441	100.0
178.05815	1.0
183.02647	0.3
186.05490	0.7
189.07558	3.1
195.06509	1.5
201.05724	0.2
205.04886	0.2
213.05487	0.4
241.04918	0.2
247.88025	0.2
255.63283	0.2
258.04990	0.3
279.08569	0.2
287.05450	28.4
288.05728	0.8
299.05457	1.0
311.05423	0.3
317.12103	0.2
321.09637	4.0
329.06421	0.8
339.10681	6.2
364.07010	0.3
365.12122	0.4
379.07996	0.7
397.09259	1.3
415.09631	0.3
433.11044	0.3
449.14072	0.4
475.12219	1.1
523.17914	0.4
537.19366	0.6
577.26892	0.2
618.55011	0.2
730.53723	0.2
813.34540	0.2
959.34741	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	959.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.2
69.13161	2.9
70.06613	0.5
71.04986	0.8
81.03451	0.6
85.02888	0.6
93.07018	0.4
100.18708	0.4
102.78281	0.5
109.02921	0.5
121.02878	1.2
125.02076	2.0
126.02872	0.5
127.03925	0.7
131.07074	0.8
137.05997	1.9
141.05273	0.8
145.02866	0.8
145.08612	1.5
149.06029	0.7
153.05289	0.9
163.03922	1.5
168.07530	0.6
169.04720	3.1
175.03635	23.7
175.07605	1.1
177.05440	2.9
177.09222	0.5
188.04491	1.1
189.09070	0.5
195.06477	0.5
205.04788	1.6
213.07295	6.2
213.09041	0.6
219.06351	1.1
227.05357	0.4
235.09651	0.5
253.96141	0.5
255.08359	2.1
285.09494	0.8
287.05615	1.3
313.12482	1.0
315.10419	0.8
329.12161	0.7
341.11853	2.5
357.11493	8.0
393.11655	0.6
407.13379	1.5
428.14560	0.8
441.15384	1.2
463.15607	2.3
477.17566	1.9
509.16504	1.4
523.17767	21.6
535.17932	0.9
537.19330	30.6
538.20087	1.2
549.19556	0.8
553.18976	0.6
625.22583	1.3
733.26654	0.9
778.84119	0.5
959.34967	100.0
960.35022	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	960.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	11.7
69.03801	0.6
70.36301	0.2
70.93112	0.2
71.04992	0.3
73.02904	1.0
74.10575	0.3
75.99205	0.2
81.03405	5.0
85.02891	5.5
87.03955	0.5
87.04459	5.5
95.04955	0.3
97.02876	15.2
99.04439	1.3
103.03903	0.4
109.02862	6.0
111.04427	0.4
115.03912	100.0
116.04237	0.3
119.70945	0.2
125.02416	0.2
127.03898	8.8
133.04945	13.9
137.92166	0.2
145.04936	2.9
151.03879	0.6
157.04904	0.6
165.05482	0.5
169.04997	0.5
175.05978	0.3
177.05478	0.4
187.05975	1.3
193.04990	0.5
199.06084	0.3
205.04855	0.6
211.06000	1.1
217.07089	1.0
223.05925	2.2
229.06992	1.5
235.06058	0.5
241.07022	3.9
253.06978	0.4
259.08099	16.3
271.08182	0.4
277.09134	26.5
278.09488	0.3
283.08206	0.3
301.09149	2.2
337.09076	0.7
339.10211	0.3
349.09323	0.3
355.10074	1.6
367.10132	0.6
373.11182	3.0
385.11224	0.7
391.12241	2.1
403.12274	0.3
461.05646	0.3
463.12137	0.5
481.13306	2.0
499.14340	3.3
517.15356	3.6
535.16559	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.26
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99793	0.1
69.03423	17.4
70.03780	0.2
70.06562	0.2
71.01347	0.5
71.04987	1.4
74.00442	0.1
77.03932	0.2
79.05491	0.8
81.03407	2.4
83.04973	6.3
84.16280	0.1
85.02892	3.3
87.04465	0.3
89.03902	5.1
91.65125	0.1
95.04951	0.6
97.02883	0.5
99.04456	0.3
103.24190	0.1
105.04514	0.2
107.04961	1.1
109.02880	1.4
111.00827	0.2
111.03653	0.3
111.04430	5.7
113.25151	0.1
117.03366	5.8
117.04200	0.3
121.02848	0.6
123.04426	0.2
127.03893	0.8
129.04453	0.2
129.04729	0.1
129.05463	7.9
135.04402	13.4
137.02318	1.4
137.05963	0.3
137.09659	0.1
138.59665	0.1
145.02835	10.4
149.02379	0.2
149.05954	0.1
153.01781	0.7
153.05432	0.3
161.05965	0.3
163.03882	100.0
164.04250	0.5
165.01851	0.4
165.09186	0.2
167.07010	0.2
171.06464	0.4
181.04938	4.5
183.02866	0.2
186.05453	0.2
189.07565	4.1
191.31540	0.1
201.05504	0.3
229.04936	1.1
229.08417	0.2
239.09227	0.2
247.05984	0.2
257.04391	0.6
273.07516	0.5
274.04782	0.3
285.03918	0.4
291.08432	0.2
302.04218	0.2
303.04950	27.3
304.05246	0.3
307.08099	3.6
315.04919	0.9
317.12198	0.2
325.09134	5.4
327.05051	0.3
345.06012	1.2
351.10635	0.6
366.03387	0.1
369.05975	0.3
395.07559	0.5
413.08719	1.2
417.11627	0.2
431.09525	0.4
435.12668	0.4
449.10718	0.9
455.09723	0.1
473.10574	0.4
491.11646	1.4
961.34479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83271	0.1
68.88113	0.1
68.99779	0.2
69.03420	16.5
71.01346	0.7
71.04623	0.2
71.04985	2.0
73.62791	0.1
77.03914	0.1
79.05477	0.6
81.03408	2.2
83.04971	6.5
85.02892	3.2
87.04462	0.3
89.03900	5.4
91.05443	0.1
95.04966	0.5
97.02848	0.7
99.04449	0.4
101.06013	0.2
105.04496	0.1
105.07061	0.1
107.04941	1.5
109.02873	1.2
111.03653	0.3
111.04430	5.3
113.06063	0.1
117.03368	5.3
121.02859	0.5
123.04443	0.1
127.03909	1.0
129.05463	7.9
131.04958	0.2
135.04395	13.4
136.04689	0.2
137.02330	1.5
142.23860	0.1
145.02824	10.3
147.04295	0.1
149.02341	0.2
149.05907	0.1
151.03842	0.2
153.01816	0.8
153.05460	0.4
161.05936	0.2
163.03879	100.0
164.04202	0.9
165.01859	0.6
171.06479	0.8
173.05922	0.2
175.03908	0.2
181.04929	4.3
183.02905	0.2
189.07545	3.8
201.05467	0.4
229.04921	1.0
239.09152	0.2
247.06165	0.2
257.04361	0.8
273.07507	0.5
274.04614	0.2
275.05331	0.1
285.03830	0.5
289.06943	0.1
291.08444	0.3
303.04944	27.9
304.05310	0.3
307.08090	3.5
309.09497	0.2
315.04990	0.8
317.12308	0.3
325.09146	5.0
327.04849	0.3
345.05945	1.2
351.10730	0.5
353.06265	0.2
367.07977	0.1
369.05936	0.3
378.35941	0.1
395.07526	0.6
411.89996	0.1
413.08636	1.3
417.11426	0.2
435.12946	0.2
449.10806	0.9
473.10565	0.3
491.11792	1.2
627.49823	0.1
637.16705	0.1
668.58124	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	961.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77670	1.3
71.04983	3.5
71.44319	1.4
74.06030	1.4
85.02901	7.3
129.05479	1.9
129.92900	1.5
184.42845	1.5
191.17889	2.0
213.07425	4.4
255.08521	2.4
285.09506	3.6
357.11609	2.9
380.06287	1.8
720.08746	1.7
961.36444	100.0
962.36829	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	963.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80060	1.2
71.04936	0.6
80.18330	0.4
85.02805	1.1
97.06125	0.3
110.56660	0.4
126.99969	0.4
134.00098	0.4
173.23454	0.4
177.08334	0.4
181.74919	0.5
185.04097	0.5
203.05215	0.7
226.09351	0.4
231.70605	0.4
238.15709	0.4
289.08762	0.7
331.09854	1.9
335.00598	0.5
347.09430	5.1
349.10925	4.0
405.13651	4.6
447.15530	0.4
475.14493	1.9
493.15234	65.8
494.15353	0.9
511.16049	0.8
963.49091	100.0
964.49060	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	967.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43805	0.9
92.89176	0.7
146.87515	0.7
152.35979	0.7
165.09218	0.8
181.56236	0.8
189.33344	0.7
205.04703	1.0
287.05469	0.8
308.55948	0.9
314.98212	0.9
365.13602	1.2
383.14612	100.0
384.14841	1.6
395.11240	1.0
410.13260	2.2
495.13080	1.6
497.53815	0.8
539.71136	0.7
607.21509	15.3
718.23657	1.0
967.32721	1.7
967.67731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06915	0.4
69.03424	1.8
69.85164	0.9
69.85515	1.1
79.05489	1.0
80.05033	0.5
81.03403	0.9
82.06574	0.6
84.04521	0.5
85.02911	2.1
91.05463	0.9
92.04993	0.7
93.05769	0.8
93.07060	1.4
94.06554	4.2
95.07355	2.1
96.08105	4.4
97.02892	1.1
103.05495	0.8
106.06542	0.9
108.04463	2.5
108.08105	8.0
110.09662	6.2
116.04969	1.7
120.04446	3.9
120.08091	6.2
122.05996	5.2
122.09692	0.9
122.26190	0.5
124.07580	4.6
127.03856	0.6
132.04482	0.6
134.05977	2.3
136.07559	9.2
138.09114	9.1
138.10143	0.7
144.04414	3.9
146.05998	5.5
148.07533	3.8
150.09149	0.9
152.07083	1.3
160.03882	3.8
162.05463	2.7
164.07076	1.7
166.08601	13.2
172.03909	21.0
172.07596	1.2
174.05539	2.2
176.07069	3.0
178.05005	0.8
182.09656	1.3
184.09921	0.6
186.05496	0.9
190.04965	16.9
190.06598	1.1
197.10791	1.6
199.08681	0.7
199.12309	2.0
204.06528	36.0
207.09148	0.5
209.10753	1.2
210.09241	1.0
211.08551	2.7
211.12291	0.7
212.09460	1.6
213.10251	0.9
218.70033	0.4
221.10643	0.5
223.08620	0.8
223.12262	1.1
224.07422	0.5
224.09486	1.9
225.10179	8.2
226.10945	1.0
227.11737	13.2
235.08720	1.0
236.09451	1.8
237.10207	3.7
238.11058	1.9
239.08252	0.8
239.11722	4.1
241.09743	1.5
241.13416	1.5
245.12843	1.2
249.10243	1.9
250.11061	1.0
251.08127	0.9
251.11740	3.3
253.09697	5.6
253.13434	0.6
254.10376	0.6
255.11362	2.0
257.12976	0.8
263.08142	0.8
263.11874	0.5
264.08896	3.0
265.09726	2.0
266.10495	1.2
267.11319	2.5
268.08374	0.7
269.09494	1.0
269.12799	16.5
269.15683	0.8
271.10745	10.0
273.12314	2.8
277.09778	1.6
279.11179	4.2
280.12106	0.8
281.09741	0.5
281.12921	1.7
281.31726	0.5
283.10681	5.5
284.11432	3.8
285.12314	5.0
286.13205	1.2
287.13882	14.0
287.16867	0.9
293.09372	0.7
295.10687	2.5
296.11639	0.7
297.12250	9.2
299.14017	3.4
300.11887	0.8
301.12469	0.5
302.12833	0.8
303.13782	0.6
305.09256	0.7
307.10803	2.3
309.12381	1.0
310.13550	0.5
312.15182	1.5
313.12833	1.5
313.64246	0.7
314.12930	2.2
315.13712	1.2
316.11005	1.0
316.14429	1.6
317.15210	0.6
321.08984	0.8
321.12424	1.0
323.10217	7.9
325.11755	17.5
325.15598	1.0
326.12924	0.6
326.16687	1.0
327.13562	3.0
327.17380	1.5
328.10876	2.6
328.14539	1.8
329.11792	0.9
329.15378	1.7
330.12384	1.4
330.16046	2.1
331.16867	2.4
337.11661	0.6
339.13687	1.2
340.14545	0.9
341.11905	2.0
342.12433	6.0
342.16095	1.4
343.13025	6.0
343.16922	0.8
344.13943	1.6
344.17572	0.7
352.14655	0.8
354.16025	1.5
355.13440	1.8
355.17117	0.9
356.13916	6.7
357.14417	20.4
358.15408	5.6
359.15967	0.6
365.11279	0.9
366.15973	0.6
367.13315	1.3
368.17627	1.0
369.15405	0.6
370.11652	0.9
370.15585	4.4
371.16345	2.2
372.17111	1.6
374.14801	0.6
374.19055	0.8
378.18100	1.4
380.13831	1.1
381.15231	0.7
382.11520	3.5
383.12848	2.0
384.13232	4.7
384.17188	0.7
385.14172	1.7
386.14099	2.3
386.19089	3.3
387.15723	0.8
388.16415	1.2
390.18076	3.8
394.15427	1.6
396.17285	1.0
397.14801	1.5
398.14951	18.9
399.15735	30.5
400.16516	2.4
401.13721	1.4
402.18243	1.5
404.15875	6.4
412.16531	2.3
414.18140	4.5
416.15952	17.1
417.16788	0.9
422.16721	2.1
428.15973	3.6
430.17572	3.8
431.18143	0.6
440.15939	6.1
441.16653	0.5
446.17020	9.6
458.17075	29.1
459.17380	0.8
472.18707	0.9
478.19635	2.7
487.17004	8.5
490.19586	10.4
519.19592	2.3
541.24402	1.6
551.22937	0.7
565.24469	1.3
567.25989	0.8
569.23779	4.2
575.22430	0.7
583.25403	1.3
593.23798	4.4
611.24908	100.0
612.25177	2.8
620.22113	2.6
643.27502	38.8
644.27612	1.1
727.28870	0.6
737.27917	1.1
745.30829	0.9
755.29315	2.4
763.75085	0.5
773.30121	54.1
774.30078	1.7
805.32690	13.4
861.55566	0.5
935.34827	1.9
967.33447	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05471	1.2
69.03411	3.0
79.05468	1.4
81.03396	1.8
82.06592	0.8
85.02884	4.3
91.05467	1.4
93.05762	1.3
93.07027	2.9
94.06548	6.1
95.04950	1.3
95.07321	3.0
96.08121	6.3
97.02872	2.4
97.88638	0.7
103.05482	1.2
106.06536	4.1
107.07339	1.7
108.04461	1.2
108.08095	13.3
109.02871	1.0
110.09671	10.8
116.04956	1.8
120.04430	1.6
120.08093	10.2
121.08902	0.8
122.06009	10.6
122.09651	3.4
124.07566	7.3
132.08080	1.2
134.06001	3.4
134.09625	1.2
136.07564	24.4
137.06013	0.8
138.05450	0.9
138.09128	17.6
144.04437	2.8
146.05995	7.3
148.07545	15.2
150.05525	0.8
150.09129	9.9
152.07045	19.3
158.06020	1.0
160.04025	1.3
160.07523	1.4
162.05493	2.1
164.07045	6.3
166.08614	41.6
168.67569	0.7
172.03909	22.9
174.05455	2.7
174.09038	1.3
176.07047	3.5
182.08089	1.6
190.04961	16.3
197.10832	1.3
198.11476	2.3
199.12303	1.4
204.06526	25.3
207.09084	0.9
209.10753	1.7
210.11450	4.3
211.08502	0.9
211.12251	5.6
212.09326	1.3
212.13026	2.4
213.10310	1.4
218.08099	1.3
221.10727	1.1
222.11568	0.9
223.08737	0.8
223.12238	3.3
224.09303	1.1
224.12885	0.8
225.10202	8.3
225.13873	2.5
226.10962	3.9
227.11815	4.0
229.09760	1.1
229.13281	1.4
235.12259	1.6
236.09373	1.8
237.10124	7.4
237.13782	2.0
238.10960	5.2
239.11771	9.7
240.12390	1.4
241.09653	1.1
241.13313	1.9
243.11328	1.0
246.07564	1.4
248.09406	0.9
249.10309	6.1
249.12631	1.1
250.10956	7.2
251.08034	1.4
251.11755	14.0
252.08797	0.9
252.12527	3.8
253.09773	2.3
253.13315	4.6
255.11269	3.0
256.12030	3.1
257.12714	1.8
259.14444	1.6
262.10959	2.2
263.07877	1.1
263.11761	16.6
264.08856	2.1
264.12585	4.5
265.09848	5.4
265.13220	8.9
266.10388	3.6
266.14026	0.7
267.11249	18.4
268.12103	1.6
268.14801	0.8
269.12833	5.7
271.10806	2.1
271.14383	5.9
273.12265	1.7
275.11664	1.2
277.09637	2.9
277.13309	1.4
278.10492	3.4
279.08167	1.7
279.11252	32.2
280.11899	4.1
281.12766	10.8
282.09937	1.7
282.13324	1.1
283.10736	4.5
283.14191	1.6
284.11505	8.0
285.12286	33.2
287.13812	2.4
289.15460	2.7
291.11246	14.4
292.11932	3.5
293.09338	1.9
293.12744	14.7
294.10040	1.0
294.13400	1.4
295.10733	4.1
295.14032	1.5
296.11554	4.3
297.12286	47.7
298.13104	2.2
299.13812	8.2
307.10773	3.5
309.12283	15.8
310.13040	3.7
311.10172	4.7
311.13882	3.8
313.11700	2.2
318.15643	1.0
319.10718	9.5
321.12271	9.9
323.10236	8.4
323.13708	1.4
324.10736	1.0
325.11774	17.6
326.12430	1.5
327.13327	10.8
330.15903	1.1
337.11768	48.6
338.12308	2.3
339.13293	5.9
340.14328	1.1
341.11185	1.5
341.14981	1.5
343.12848	3.5
344.13919	1.0
346.19159	1.7
347.14578	0.9
351.13351	1.3
355.12866	3.5
357.14343	10.3
358.15219	1.1
359.15958	2.1
369.14487	5.5
370.15195	1.0
371.16095	1.1
372.16953	1.9
373.13766	1.3
385.13818	1.0
388.16473	1.1
390.17868	2.1
392.19290	1.8
399.15436	2.3
400.16559	2.5
402.18076	2.1
404.19675	3.4
406.17209	1.1
412.16528	1.7
414.18173	1.1
416.19601	1.4
418.17459	2.5
420.18887	1.5
421.19672	0.9
422.20621	2.6
430.17633	6.5
432.19122	4.9
434.20364	1.0
436.18518	1.4
442.17517	2.9
444.19263	1.4
446.20874	4.0
448.18466	14.4
449.19315	10.6
450.20062	11.1
460.18628	10.1
461.19302	2.6
462.20309	3.8
463.20648	1.4
469.16138	2.2
472.18295	2.2
474.20438	4.7
476.17871	3.4
477.18723	3.4
478.19550	3.6
480.21158	3.1
487.16922	6.9
490.19653	24.4
491.20059	2.2
492.21091	7.7
505.17731	1.2
519.19525	1.2
522.22357	12.0
523.23004	1.4
532.00085	1.0
585.26971	1.3
594.24353	2.3
595.25336	7.6
608.25684	1.2
611.24725	1.5
612.24896	3.1
613.26483	100.0
614.26379	2.3
634.23828	1.9
636.24982	1.3
645.18872	1.4
645.29022	22.4
652.24896	20.8
653.25818	5.6
654.26428	2.4
684.27545	12.8
685.27954	3.6
739.29553	1.5
757.31055	4.3
775.31726	54.2
776.31525	1.2
788.37567	0.9
796.28668	1.9
807.34143	12.7
808.34235	0.9
814.29871	5.3
815.29956	1.4
840.96600	0.9
846.32092	1.1
901.34650	1.4
919.34857	1.2
937.37122	3.9
943.35516	0.9
969.35388	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03399	2.9
73.07507	2.0
81.03376	3.5
85.02859	4.1
91.05434	2.7
93.07023	3.2
94.06551	7.7
95.07312	4.4
96.08123	10.8
97.02831	2.7
103.30190	2.5
107.07370	2.7
108.04469	2.9
108.08102	26.0
110.09657	11.5
120.04459	11.6
120.08097	12.3
122.06010	6.2
122.09644	13.1
123.04409	9.7
124.07568	4.2
132.08115	2.6
134.06035	3.3
135.04408	2.8
136.07581	10.9
137.05939	5.2
138.09120	42.2
143.62033	2.3
144.04468	4.2
146.05989	18.7
147.04338	2.8
148.07578	8.1
150.09073	5.6
151.03903	9.8
152.07028	2.7
160.03957	5.8
160.07578	4.7
161.05992	3.9
162.05441	2.8
163.03786	2.4
164.07059	2.8
166.08597	29.3
167.07059	4.1
172.03931	10.5
172.07454	3.1
174.05505	5.5
176.07080	2.6
178.08624	3.5
188.07094	4.8
190.04945	33.5
204.06537	9.7
211.60927	2.2
221.10594	3.0
225.10252	3.9
227.11812	3.3
232.06128	3.6
237.10219	5.4
240.06538	4.2
242.08136	6.8
245.12733	2.8
248.09581	2.9
249.10301	10.4
250.10907	3.6
251.11702	7.3
253.09552	3.4
258.07736	4.1
261.10233	4.7
262.11020	4.5
263.08270	2.2
263.11703	7.6
264.09018	3.1
265.09735	3.4
273.12390	2.9
275.11707	3.6
277.09686	11.6
279.11197	14.2
280.12051	3.0
284.09134	11.5
286.06915	5.0
286.10846	2.9
289.09622	9.1
290.10449	5.0
291.11279	7.6
292.12094	2.7
293.13190	2.8
297.12305	3.6
298.07166	2.8
300.08694	7.9
302.10178	11.7
303.11261	3.3
304.11749	3.1
305.09363	4.9
305.12769	4.9
307.10764	5.3
309.12411	4.1
312.08591	3.3
317.09183	6.1
319.10641	5.3
323.10172	13.9
325.11703	7.2
329.12878	4.3
331.10706	3.5
331.14328	2.7
333.12286	4.0
335.10147	6.6
337.11719	5.5
345.12344	3.1
354.09634	2.8
355.12338	2.9
357.12518	4.2
371.10089	3.4
381.12198	4.6
385.11768	9.7
387.13321	3.6
399.13153	9.3
403.12848	6.7
413.11179	12.0
415.13007	4.2
417.14871	2.8
427.13013	10.1
429.14249	8.7
431.12213	6.3
445.13843	32.1
454.14664	6.1
455.12317	10.2
457.13968	3.5
461.13205	4.1
473.13351	20.3
487.16391	4.4
488.18225	3.1
505.15857	29.9
543.32135	2.5
570.20801	2.8
580.20404	4.6
598.21674	30.7
607.17139	4.6
613.17755	4.7
626.21686	12.3
630.24554	21.1
650.23370	12.1
742.24963	6.8
760.26373	75.6
761.26624	4.0
778.25775	33.9
788.26440	53.3
792.29620	100.0
793.29602	8.0
810.26678	2.9
922.29828	10.5
940.13171	4.6
940.31213	92.3
941.30621	6.5
954.32556	3.8
972.35834	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03116	0.2
69.03416	6.3
69.13753	1.3
71.04978	22.1
73.02912	0.4
79.05481	0.5
81.03403	8.8
81.07028	0.3
83.04964	19.2
84.04064	0.2
85.02887	8.0
85.06525	6.4
87.04454	0.2
91.05457	0.4
94.04163	0.7
94.29543	0.2
95.04958	1.8
97.02875	13.3
99.04452	1.9
100.17774	0.2
101.06001	7.7
103.03924	0.4
103.05459	0.5
103.07575	0.4
105.06923	0.2
107.04919	0.3
108.04452	0.5
109.02859	10.8
109.06485	0.5
111.04410	0.8
113.05988	6.1
115.03915	0.5
115.05452	1.7
117.06994	0.6
119.04932	0.3
119.06240	0.4
119.07033	4.0
119.08494	0.2
122.03616	1.4
123.04422	0.5
125.02361	0.2
125.05995	0.6
127.03893	11.9
127.07532	17.6
128.06151	0.2
129.06984	1.5
131.04927	1.1
131.07014	8.7
137.05952	25.1
138.06300	0.3
139.03972	0.2
141.05437	0.9
143.04912	3.0
144.05681	0.6
145.04944	5.9
145.08569	100.0
146.08890	1.1
147.04364	0.2
147.08028	0.2
149.05930	0.6
151.03864	0.9
151.07513	0.9
153.05424	0.5
155.06946	1.4
157.06480	1.7
160.05168	4.2
161.05945	0.6
163.06244	0.2
163.07489	0.9
165.05463	0.3
166.49544	0.2
167.07042	1.0
169.04927	0.5
172.05162	0.8
173.05872	0.2
173.08057	2.6
174.06717	0.7
175.07510	24.9
176.07826	0.3
177.05486	0.3
179.06987	0.6
179.08456	0.2
185.08101	1.1
187.05971	3.7
187.07527	9.9
188.07956	0.2
189.09068	2.8
191.07153	0.7
191.09105	14.6
199.07545	0.4
201.08989	0.5
203.08557	0.6
205.05052	0.4
205.06967	0.7
205.08600	4.9
209.08051	3.7
211.07536	0.4
217.08516	1.6
219.08017	0.6
219.10141	0.8
220.08772	0.2
227.07031	0.3
227.09085	3.5
231.07901	1.0
233.10025	0.6
235.09601	8.6
239.06989	0.5
239.09134	0.7
245.10170	11.7
246.10657	0.2
247.07562	0.4
248.08276	0.9
253.06911	0.3
255.06458	0.5
255.12224	0.3
257.10168	1.3
259.07434	0.3
261.09503	0.8
263.10992	2.1
265.08386	0.3
269.10260	0.2
270.08817	0.9
271.09729	2.1
275.11279	1.3
276.07645	0.3
277.08630	0.3
279.10138	0.8
281.23755	0.2
283.09583	0.5
287.11536	0.2
291.10135	2.8
292.10641	0.2
293.07959	0.3
296.10464	0.2
299.11218	3.4
308.10541	0.3
309.10962	0.2
311.12744	1.5
313.14410	0.3
317.12286	5.1
319.20206	0.2
323.12747	3.9
325.14334	2.4
335.13358	8.8
341.13785	9.3
351.12790	0.2
353.12396	0.7
355.69739	0.2
357.13095	0.9
359.13416	0.3
365.13611	0.2
371.13312	0.3
383.14380	0.3
389.14215	0.6
399.16379	0.2
407.14301	0.2
417.17538	1.2
421.35556	0.2
425.14334	0.4
454.52682	0.2
467.17233	0.2
525.19543	0.5
543.20459	0.5
561.21790	1.2
579.22479	0.5
603.23279	0.2
619.49585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03065	0.5
69.03418	6.6
69.59012	1.3
71.01305	0.6
71.04981	20.8
73.24103	0.4
75.01801	0.4
78.06841	0.5
79.05453	0.6
80.11334	0.4
81.02954	0.8
81.03408	9.9
83.04969	17.8
85.02893	10.3
85.06538	5.2
87.81475	0.5
91.05459	0.9
94.04165	0.8
95.04938	2.3
97.02879	14.9
99.04436	2.0
101.06003	9.1
103.05489	0.6
103.07552	0.6
105.06982	0.7
106.73027	0.5
109.02859	9.3
109.03548	0.9
111.04444	0.9
113.05981	6.6
115.05427	2.3
117.05469	1.2
117.07037	0.7
119.07050	5.4
122.03648	1.5
125.05977	0.7
127.03899	13.9
127.07532	16.8
129.06972	1.7
131.04912	1.1
131.07021	9.8
133.10159	0.4
137.05957	31.2
141.05437	0.6
143.04906	4.3
144.05637	0.5
145.04955	5.9
145.08574	100.0
146.08936	1.1
149.05920	1.0
151.03862	1.1
151.07538	1.0
153.05466	1.2
155.06969	1.1
157.06444	2.2
160.05167	5.6
161.05936	0.8
163.07504	1.1
167.07025	1.5
172.05211	0.7
173.05873	0.6
173.08069	2.4
175.07523	31.7
179.07033	0.8
181.05057	0.5
182.85878	0.4
185.08052	0.7
187.05974	3.7
187.07538	12.6
188.07802	0.6
189.09068	3.1
191.07318	0.9
191.09111	15.3
203.08569	0.7
205.07007	0.7
205.08612	5.4
209.07993	3.0
215.22504	0.5
217.08580	2.0
219.10168	0.6
227.09081	4.8
231.07979	1.2
233.10165	0.7
235.09604	10.2
239.06918	0.7
245.10152	12.1
247.07436	0.6
248.08275	0.8
257.10123	1.3
259.07538	0.7
263.11032	2.6
271.09528	1.8
275.11130	0.9
279.10046	0.9
291.10129	2.9
299.11264	2.5
311.12701	1.3
313.14188	0.5
317.12311	4.4
323.12711	4.2
325.14304	1.3
335.13330	9.2
341.13806	10.4
353.12091	0.6
357.13177	1.2
417.17755	0.7
450.53827	0.5
509.14728	0.5
543.20374	1.1
561.21613	1.0
927.69727	0.5
945.41284	0.5
972.33710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17921	0.5
69.18332	0.6
70.06612	0.2
72.49048	0.2
80.99763	0.2
109.10162	0.2
125.02152	0.7
137.06023	0.7
141.05219	0.3
153.05310	0.5
167.07062	0.2
168.07663	0.2
169.04723	0.9
182.35104	0.2
195.06357	0.2
213.07300	3.4
225.07367	0.2
227.05315	0.3
238.76096	0.2
243.08427	0.3
255.08437	0.8
285.09387	2.2
297.09592	0.4
315.10623	0.5
341.12000	0.8
357.11481	3.8
403.47897	0.2
409.14832	0.9
421.14911	0.5
426.15417	0.2
437.14536	0.3
481.16837	1.8
519.18488	0.5
543.18372	0.3
585.19257	0.5
591.20276	0.3
627.21222	0.3
641.21558	1.1
643.23492	2.5
653.21741	0.3
655.23334	0.8
685.24536	0.4
699.22644	0.3
713.24408	1.9
714.24658	0.2
715.25690	2.8
743.25757	0.2
805.28687	0.3
836.35925	0.2
847.30530	0.3
859.29510	0.2
877.31097	0.4
917.33734	0.7
919.31934	0.5
977.36060	100.0
978.36438	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	977.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98438	0.1
72.22289	0.1
72.76317	0.1
85.02921	0.1
125.02079	0.7
126.02944	0.1
137.06001	0.5
141.05223	0.2
145.08600	0.2
151.00018	0.2
153.05255	0.5
158.35242	0.1
163.03946	0.2
168.07671	0.2
169.04704	0.9
185.04153	0.2
213.07306	2.8
219.06396	0.1
225.07452	0.2
227.05321	0.3
239.08752	0.1
255.08345	0.9
269.10019	0.2
285.09393	2.1
285.12070	0.1
297.09674	0.4
313.12720	0.1
315.10400	0.6
341.12198	0.7
357.11508	3.4
372.92145	0.2
409.10114	0.1
409.14758	0.7
421.14890	0.4
437.14444	0.2
461.13965	0.1
481.16669	1.7
509.16489	0.3
511.16101	0.1
519.18317	0.4
543.18225	0.2
585.19470	0.4
591.20776	0.3
613.22864	0.2
627.20557	0.2
628.21051	0.2
641.22253	0.8
643.23566	2.3
653.22455	0.2
655.23273	0.9
671.23639	0.4
685.24896	0.4
700.23193	0.2
713.24042	1.2
715.25592	2.7
715.45563	0.1
716.25287	0.1
743.25098	0.3
805.28668	0.3
840.80798	0.1
847.29712	0.3
859.01300	0.1
859.29926	0.2
877.30591	0.2
899.08691	0.1
917.33795	0.5
919.31909	0.3
977.36090	100.0
978.36530	5.3
997.05988	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	983.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13490	3.2
69.13895	1.5
80.13146	0.7
80.32507	0.7
86.54105	0.6
91.75693	0.7
97.02886	0.7
98.22726	2.0
98.23409	1.9
137.05981	1.0
141.58421	0.7
163.03957	2.2
165.01636	1.2
207.13068	0.7
271.06223	1.2
281.06360	3.6
341.71548	0.7
407.13257	1.1
421.14954	1.6
481.16782	12.0
523.17944	1.4
553.19000	1.5
579.35272	0.9
609.21545	2.0
625.21027	6.3
679.13562	0.8
905.67072	0.8
983.35089	100.0
984.35651	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	985.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.1
70.06584	1.4
71.44051	1.2
79.05478	1.8
81.03423	1.6
85.02888	3.4
89.03906	1.5
91.05485	3.6
93.07056	6.5
94.06554	8.4
95.04935	1.2
95.07314	4.9
95.08593	1.7
96.08113	14.6
97.02908	1.9
97.06524	1.6
103.05479	1.4
106.06544	1.7
108.04481	1.7
108.08092	14.1
109.08900	1.9
110.09664	25.8
116.04975	3.0
120.04465	7.2
120.08084	17.5
121.02869	2.5
122.05999	5.9
122.09702	1.3
124.07541	6.8
134.06018	2.5
136.07558	13.2
138.05521	4.1
138.08051	2.1
138.09122	41.6
144.04378	5.0
146.05963	7.6
148.07558	7.7
150.09117	1.5
152.07066	2.6
160.03918	4.2
162.05521	4.0
163.03876	1.3
164.07040	1.7
166.04968	3.6
166.08601	66.2
167.08934	1.1
172.03906	42.0
174.05533	3.0
176.07056	2.7
178.05009	1.5
180.06595	1.1
183.09090	1.0
184.09923	1.2
190.04942	20.1
197.10773	1.8
199.12306	1.3
204.06519	45.0
209.10786	1.8
210.09119	1.2
211.08607	1.3
212.09337	2.5
213.10211	1.5
216.06488	1.8
218.04570	1.0
222.11508	2.1
223.08827	1.1
224.09303	1.9
225.10162	8.1
227.11739	8.5
234.11745	1.1
235.08667	1.6
236.09424	3.3
237.10175	11.2
238.10883	2.5
239.08089	2.0
239.11792	5.3
241.09697	3.8
243.11292	1.0
245.12825	2.1
247.14427	1.8
249.10205	2.7
251.11736	8.7
252.08949	2.2
252.12564	1.8
253.09642	7.8
255.11263	3.3
263.11728	1.4
264.08881	2.5
265.09668	16.4
266.10577	2.9
267.11325	5.4
267.13791	1.1
269.12790	9.8
271.10739	8.4
273.12323	7.1
278.06589	3.7
279.11304	13.3
280.08582	1.8
281.09543	2.1
281.12805	5.5
283.10745	9.0
285.12369	6.4
287.05478	2.2
287.13855	9.4
291.11105	1.7
292.08179	1.7
293.09100	16.5
294.10046	3.1
295.10730	3.9
297.12305	12.3
299.10294	2.9
299.13940	2.7
300.11188	1.7
307.10699	5.7
309.12433	3.8
311.10440	3.0
312.10992	2.9
313.11694	5.8
315.13501	1.3
323.10117	6.5
324.10901	1.3
325.11740	30.1
327.13672	1.9
330.15765	1.3
335.10236	9.1
339.13550	1.9
340.10376	1.9
341.11316	14.3
342.12375	3.8
343.13016	3.5
353.11267	16.4
355.12991	1.5
356.13861	2.9
357.14410	23.6
358.15402	1.5
370.15390	2.7
373.13898	6.4
382.11499	1.1
384.13315	4.1
385.13876	6.9
386.18524	1.2
390.18088	2.7
398.14819	9.1
399.15778	13.2
400.16501	3.0
402.18265	1.3
404.15961	3.6
414.18051	3.3
416.15927	8.1
418.17398	1.7
428.16083	3.2
430.17413	2.4
440.15762	3.0
442.17532	1.4
446.17020	5.8
458.17081	15.2
460.18509	2.3
462.20087	1.4
465.19138	5.1
478.19724	6.2
487.16769	4.7
488.17947	6.1
490.19501	6.8
506.19156	86.2
507.19885	1.4
510.22256	3.2
519.19421	1.6
520.20734	5.4
538.21777	100.0
539.22070	2.2
569.23895	2.5
593.24249	2.7
602.84387	1.2
611.24878	66.4
612.25330	1.4
620.21301	1.3
643.27484	27.1
650.23773	1.3
745.30377	1.4
755.29028	2.1
773.30121	30.4
774.30334	1.9
805.33325	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	988.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	3.7
70.09849	0.7
71.04983	21.7
73.02910	0.5
81.03404	5.8
83.04966	1.0
84.08134	0.3
85.02894	4.2
85.06526	6.6
89.06020	16.8
91.05480	0.6
94.04169	0.5
95.04947	1.4
97.02884	10.6
98.23495	0.3
99.04453	1.9
103.05446	0.3
107.04974	0.4
108.04497	0.6
109.02176	0.5
109.02864	6.6
109.06511	0.4
111.04431	1.2
113.05994	6.0
115.03947	0.5
115.05437	2.3
117.07016	0.7
122.03664	1.2
123.04424	0.4
125.05965	0.6
127.03897	8.6
127.07533	17.1
129.07005	1.3
131.04916	0.8
131.07021	7.6
133.04938	0.3
135.04453	0.3
135.06506	2.4
136.07619	0.3
137.05963	27.6
141.05449	0.8
143.04924	3.6
144.05629	0.4
145.04950	5.3
145.08578	100.0
146.08978	0.7
151.03909	0.9
151.07538	0.6
153.05493	0.9
155.06995	1.5
157.06470	1.6
160.05148	4.1
161.05913	1.0
163.07533	1.1
167.07011	0.8
172.05211	0.6
173.08037	2.4
174.06763	0.5
175.07523	28.5
185.08046	0.4
187.06123	0.5
187.07521	11.8
189.05453	0.3
189.09091	2.6
191.09119	12.9
197.08005	1.9
199.07529	0.7
201.09093	0.7
203.08586	0.8
204.62120	0.3
205.06706	0.3
205.08568	6.4
205.10406	0.4
215.09120	1.0
217.08620	1.7
219.08173	0.8
219.10196	0.6
225.07545	0.9
231.07928	1.0
233.09964	0.4
235.06000	0.5
235.09610	10.8
239.06966	0.5
239.09140	0.4
240.07774	0.4
243.08557	1.6
245.10115	0.4
247.07536	0.6
248.08296	0.5
253.06920	0.4
257.10141	1.9
259.07645	0.6
260.08255	0.5
261.09671	2.5
263.10605	1.3
265.08548	0.4
270.08655	0.9
271.09576	1.3
274.01248	0.4
275.11139	1.3
277.08673	0.4
279.10434	1.3
291.10156	2.7
296.10275	0.4
299.11215	3.3
311.12616	1.7
317.12216	5.1
323.12689	3.8
325.14444	1.6
335.09479	0.5
335.13351	7.4
341.13797	9.9
351.10541	0.5
357.13123	0.7
359.13159	0.4
369.11700	1.2
387.12689	0.8
415.15961	0.4
423.14880	0.4
433.17035	1.2
541.19025	0.8
559.19550	1.2
577.21118	1.4
595.22223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.6713
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68245	1.4
70.10001	0.3
71.07368	6.0
71.08617	1.4
81.07067	0.7
83.08634	0.4
86.09696	52.3
92.17159	0.5
95.08582	0.7
98.23443	0.4
98.98454	3.3
104.10732	96.9
124.99992	29.0
143.01050	0.5
157.63306	0.3
163.01520	0.9
184.07323	100.0
190.36447	0.4
198.08853	0.6
228.78893	0.4
258.11090	0.8
313.27362	2.2
352.95950	0.3
410.61447	0.4
478.32901	8.5
479.33444	0.4
496.33939	78.2
497.34061	1.1
510.35376	1.2
525.07019	0.4
599.43451	0.8
991.67731	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	992.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	3.4
71.04983	11.0
71.73483	0.3
81.03407	7.4
81.07035	0.4
85.02890	4.1
85.06530	3.6
91.05444	0.4
95.04951	6.0
97.02883	5.7
99.04436	1.2
103.07576	0.5
108.04471	0.5
109.02863	5.3
111.04414	2.5
113.05983	3.6
115.05456	0.9
119.04911	0.4
121.02849	100.0
121.03854	3.0
122.03092	0.5
122.03721	0.3
127.03906	4.4
127.07536	11.1
129.06972	0.9
131.04892	0.5
131.07014	4.8
137.05962	13.8
139.03879	14.0
141.05455	0.4
143.04887	0.8
145.04912	1.9
145.08575	67.8
146.08864	0.4
147.04385	1.8
151.03917	0.5
151.07527	0.7
155.07013	0.9
157.06407	0.5
160.05186	1.5
161.05928	0.6
163.07500	0.6
173.08083	1.0
175.07515	9.7
182.18285	0.3
185.08018	0.4
187.05936	0.4
187.07498	4.3
189.09119	1.2
191.09111	7.9
199.07613	0.4
203.08499	0.4
205.08611	1.7
217.08543	0.7
219.08113	0.4
219.10103	0.6
223.06049	0.5
235.09599	2.0
247.05869	1.9
248.08348	0.4
257.10107	1.3
263.10562	0.6
265.07037	9.9
270.08783	0.4
271.09570	1.0
275.11255	0.7
279.09921	0.4
283.08072	17.6
291.10074	1.4
299.11264	1.4
311.12646	0.8
317.12265	2.2
323.12808	1.9
325.09042	0.4
325.14154	0.8
335.13281	3.0
341.13864	4.1
357.12985	0.4
391.09891	0.4
419.51788	0.3
422.24631	0.3
455.15033	0.9
471.34451	0.3
599.19086	0.8
601.57574	0.3
992.35010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.6
70.06602	0.4
71.04993	1.1
81.03422	1.1
85.02918	0.7
85.06536	0.7
95.04970	0.6
97.02891	0.5
98.22687	0.9
98.97601	1.4
109.02834	0.6
113.06050	0.4
116.98635	1.6
121.02852	10.9
122.03230	1.7
127.07590	1.5
134.99690	0.8
137.05981	0.9
139.03967	0.9
145.04939	0.6
145.08566	7.0
146.08929	1.0
155.07066	0.9
161.01288	0.5
163.04016	0.5
169.73767	0.4
173.08200	0.5
177.00693	0.6
191.09131	0.8
219.01791	0.8
237.02942	0.9
258.43906	0.4
265.06952	0.6
283.08252	0.7
415.10678	1.2
601.16205	1.0
619.16815	1.2
763.21466	0.7
993.33490	100.0
994.33984	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	993.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35631	1.3
69.36043	0.6
70.06591	0.5
96.31947	0.5
121.02880	0.7
125.02134	0.5
137.05920	0.6
147.51335	0.5
150.12746	0.5
151.00185	0.5
169.04817	1.2
213.07349	2.7
243.08109	0.4
255.08528	1.3
259.07831	0.4
285.09641	1.7
301.08893	0.8
315.10345	0.5
341.12213	0.7
357.11459	3.4
425.14346	0.8
481.17014	1.6
535.18274	0.7
543.18207	0.6
653.22083	0.5
655.23621	0.7
657.21576	1.2
659.23206	3.4
713.24084	2.2
715.25745	3.0
743.24475	0.9
871.96057	0.4
877.30945	0.6
933.33813	1.0
974.46967	0.6
993.35559	100.0
994.35699	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	997.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44263	0.7
91.42175	0.7
107.04977	0.8
121.02884	0.9
121.10105	0.7
137.06018	2.9
145.08636	0.7
213.07417	2.9
226.75500	0.7
285.09406	1.8
302.83594	0.6
357.11627	2.6
467.46640	0.7
475.32361	0.8
481.17276	1.9
596.98676	0.7
655.23883	1.1
663.20673	1.5
682.20624	1.5
712.21069	1.2
715.25824	3.1
937.31366	0.8
957.90857	0.9
997.32898	100.0
998.33118	3.5
1027.32214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6226
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07068	1.1
71.07364	5.5
80.16341	0.6
81.07038	1.7
83.08642	0.6
86.09698	45.4
93.07037	1.1
95.08581	2.0
98.98449	3.6
104.10734	91.4
107.08622	0.6
109.10161	1.0
114.01769	0.6
124.99992	26.1
149.02324	1.1
163.01566	0.8
184.07327	93.7
193.04948	0.7
197.50375	0.5
258.10983	0.9
306.45145	0.6
321.32202	0.6
337.27484	1.1
363.42566	0.7
502.32791	8.7
520.33936	100.0
521.34259	2.3
646.42847	0.7
932.14044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01425	0.6
85.02982	0.5
89.02491	0.5
93.03477	1.9
96.96021	1.3
101.02455	0.6
107.01415	1.5
109.02934	0.6
117.03503	0.8
133.03021	0.7
135.00879	0.6
135.04523	0.6
143.05049	0.8
145.03070	0.5
151.00397	2.7
154.04231	0.5
157.06665	0.6
158.77469	0.4
159.04570	1.0
160.04001	0.4
161.02466	0.9
163.00397	1.4
165.01945	0.5
167.05078	0.5
169.01411	0.5
169.06584	1.2
171.04616	1.0
173.06128	0.5
183.04500	1.5
185.06012	2.0
187.04013	2.6
189.05562	0.8
191.05708	0.6
195.04482	0.8
197.06071	0.9
199.04010	0.7
205.31581	0.4
211.04030	2.5
213.05544	2.7
214.02681	1.1
217.05060	0.4
227.03506	10.4
229.05060	8.1
239.03535	1.3
240.04344	0.7
241.05136	1.4
243.03119	0.7
255.03006	27.9
256.03741	1.9
257.04596	5.2
267.02930	0.5
283.02502	18.5
284.03299	19.8
285.04065	90.1
286.04456	1.6
297.80048	0.4
312.22260	0.4
327.05099	1.5
440.00281	0.4
499.85852	0.4
508.72720	0.5
531.15125	2.7
532.33276	0.4
620.80017	0.4
755.20441	100.0
756.21173	2.5
839.26025	0.7
971.63324	0.4
1001.30231	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	1001.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	0.7
74.53639	0.4
77.03965	0.4
82.64704	0.4
85.00420	0.8
87.00875	0.7
88.98814	100.0
89.02460	0.6
98.04531	0.4
110.48106	0.4
147.07910	0.4
220.86165	0.5
455.09897	0.4
473.69769	0.4
829.55994	0.6
911.50970	1.6
912.49866	1.0
913.52423	0.6
941.46954	1.2
941.96472	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	1001.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00854	0.8
87.05116	0.6
88.98813	100.0
89.02448	1.6
104.94650	0.7
146.23364	0.6
165.73665	0.6
184.32767	0.6
273.96335	0.7
471.34705	1.0
545.34222	0.9
749.18707	0.7
911.49738	1.4
912.50781	0.8
913.51349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	34.8
71.86401	0.7
72.99313	1.1
73.02948	8.1
74.64803	0.7
75.00877	1.2
76.57262	0.6
80.75874	0.7
83.01398	6.4
85.02968	15.3
86.00085	0.6
87.00891	3.4
89.02453	16.2
95.01401	3.9
97.02958	2.8
99.00883	3.1
101.02460	27.6
109.26231	0.7
111.00865	0.9
113.02467	14.1
119.03505	5.8
125.02443	2.5
131.03534	1.0
135.04541	0.9
143.03517	1.7
150.03265	1.6
151.04025	1.1
153.01987	1.0
159.03067	0.8
160.28627	0.8
161.04581	4.7
165.05528	1.0
179.05620	2.0
194.85648	0.8
203.05704	1.6
221.06551	0.8
228.98373	0.7
243.36604	0.7
300.39612	0.6
334.22128	0.7
401.00742	0.7
473.32767	2.2
515.34131	1.5
555.40259	0.7
589.72479	0.7
635.38300	1.1
677.39069	1.5
724.55505	0.8
771.28406	0.8
773.72992	0.7
779.42474	3.1
797.43610	3.7
803.31500	1.9
821.44562	1.1
839.44366	19.7
840.45947	0.8
876.19452	0.9
941.47614	11.8
959.48724	6.6
1001.49805	100.0
1002.49957	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	1006.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07942	0.8
73.02947	3.4
74.97752	0.8
83.01385	1.3
85.02964	1.7
93.03450	1.2
93.18034	0.8
101.02436	1.5
107.01406	1.1
109.02948	0.8
113.02487	1.4
117.03497	1.4
127.03982	1.6
132.02206	1.3
133.02969	22.1
134.03740	1.4
135.04527	14.6
137.02438	1.3
145.05063	3.5
149.06039	1.1
151.00395	2.6
157.06502	0.8
161.02460	73.0
163.00409	1.2
177.05594	2.5
179.03508	17.9
185.05986	1.1
196.12807	1.0
211.04070	1.7
213.05592	0.9
221.04579	6.0
227.03506	46.2
229.05077	2.8
239.03444	1.3
241.05077	0.9
251.05603	3.3
255.03004	61.5
256.03653	4.5
257.04648	1.5
273.02441	0.7
281.06738	6.1
283.02481	2.4
284.03293	57.7
285.04065	100.0
286.04379	8.1
323.07541	3.8
327.05280	1.7
341.08530	1.1
469.13541	78.4
470.14423	1.3
473.10938	39.3
474.11237	1.3
593.15192	5.1
594.15503	4.6
657.20959	1.3
755.18365	34.8
755.32416	1.8
872.21979	0.9
943.25244	58.8
944.25012	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	1007.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	30.3
72.99313	0.9
73.02956	4.5
74.47417	0.5
75.00876	1.2
76.31628	0.7
81.03453	0.8
81.29081	0.5
82.28876	0.6
83.01395	2.4
83.05035	19.1
85.02959	8.1
87.00877	4.8
87.04520	1.2
89.02454	26.2
93.03472	6.2
95.01403	2.9
97.02952	0.8
99.00918	0.9
101.02454	30.6
109.02969	2.8
111.00906	2.3
111.03742	0.8
111.04530	22.6
112.01696	1.7
113.02465	22.9
113.06068	1.1
119.03508	12.9
123.04530	4.2
125.02488	1.4
127.04014	0.8
129.01982	0.8
131.03513	8.5
133.05096	1.4
135.04549	1.7
137.02463	9.5
141.05600	1.4
143.03557	2.8
149.04556	1.4
155.03534	7.2
159.03133	0.8
161.04562	4.3
162.03427	0.6
167.03516	2.4
173.04555	1.8
176.19223	0.6
179.03493	1.4
179.05634	11.5
185.04572	1.5
197.04567	0.7
207.53821	0.5
235.08240	0.6
275.07764	21.3
293.08817	100.0
294.08939	1.4
317.08798	59.7
318.09088	1.0
329.08789	1.1
335.09872	3.2
347.09866	23.9
365.10855	4.1
377.10873	12.6
395.12024	10.5
455.14230	2.0
476.28986	0.6
604.20367	0.6
780.84320	0.6
1025.28894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	0.4
78.95905	3.5
79.95746	6.4
89.02477	0.3
94.92543	0.3
94.98087	0.5
96.96021	100.0
96.96902	3.4
107.11549	0.2
108.08733	0.2
120.17778	0.2
471.34799	0.5
785.30341	0.3
787.39630	0.3
911.50269	1.3
949.45508	2.1
1009.47003	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	101.0246
Annotation	(R)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01888	43.7
57.03453	75.8
58.00596	5.3
58.02965	2.2
59.01384	72.8
62.35457	2.2
68.99813	3.4
69.15439	2.4
71.01380	12.2
72.99300	4.1
73.02954	100.0
77.37426	2.4
83.01389	9.6
93.91746	2.7
99.92558	7.2
100.93365	8.7
100.94609	3.5
101.02451	52.5
101.06068	17.5
102.05632	26.3
109.18307	2.4
115.30852	2.7
115.92066	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	101.0247
Annotation	(R)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01885	14.2
57.03453	16.1
58.00610	3.6
59.01385	67.0
60.01708	1.1
61.56684	0.9
68.99812	0.8
70.67662	1.2
71.01392	16.3
72.99326	4.2
73.02955	100.0
74.03288	2.2
83.01387	3.5
87.00900	1.3
101.02452	37.9
101.06097	4.5
102.02790	1.6
102.05618	2.6
104.82784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
72.16801	1.3
74.25018	1.6
74.84174	1.3
76.50887	1.6
76.87138	1.2
85.02966	1.5
85.57893	1.2
93.03420	1.5
112.69521	1.3
121.02946	2.7
122.03741	2.7
125.02441	2.3
126.11332	1.4
135.04530	2.6
136.01674	45.5
137.02397	2.9
139.03993	1.4
151.04024	83.3
160.05270	2.0
161.02454	2.2
175.07582	1.5
177.30162	1.8
206.16048	1.7
219.99133	1.9
267.14557	1.4
302.05167	1.5
329.13907	4.5
342.11060	3.9
357.13458	100.0
358.14069	1.7
369.55096	1.6
453.45804	1.4
501.17639	6.0
519.19348	1.5
543.18713	8.4
561.19769	9.4
603.20905	3.9
772.86115	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	1015.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
73.00719	0.7
75.00894	0.7
83.19149	0.6
85.02982	0.8
98.22665	2.9
103.00470	15.3
103.01504	100.0
117.73401	0.8
142.63031	0.7
178.22333	0.7
204.95175	0.8
210.59137	0.7
262.31247	0.7
389.00409	1.0
471.35260	1.1
615.53320	0.9
911.50177	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	1025.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01410	0.7
74.22775	0.3
77.70647	0.2
82.12925	0.3
85.02943	0.8
85.06604	2.3
93.03487	0.9
95.01397	0.4
101.02464	0.3
108.02185	1.1
109.02971	0.6
111.04539	0.3
113.06099	0.6
115.04039	1.9
121.02966	3.2
122.03748	2.2
122.40298	0.2
123.00859	0.3
123.04572	0.4
124.01704	1.0
134.03748	1.0
135.04568	0.7
136.01678	53.5
137.02501	1.5
139.04034	6.9
149.06116	0.3
151.04024	85.3
152.04419	0.5
159.04547	0.4
160.05319	1.0
161.02560	0.3
161.04587	0.5
162.03279	1.0
163.04010	0.8
175.04053	0.6
175.07646	1.8
176.04823	0.3
177.05589	0.9
179.03494	0.8
189.05699	0.5
189.07623	0.4
195.06810	0.3
203.07190	0.4
262.02667	0.2
296.10620	0.3
311.12897	0.6
327.12207	0.7
342.11151	4.3
357.13470	100.0
358.13782	1.7
501.17657	6.1
519.18909	1.3
543.18799	8.9
544.19177	0.4
561.19794	6.6
603.20935	1.9
863.30341	0.6
1033.71313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02968	0.9
87.98818	0.4
98.21883	0.5
99.92593	16.8
110.17116	0.4
114.93435	1.2
115.99874	0.4
116.92876	100.0
117.01939	1.8
117.92864	0.8
296.61017	0.4
350.69958	0.4
548.77094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0039
Annotation	Malonic acid
Peak:m/z	Relative Intensity
57.03452	2.8
58.00610	1.1
58.99614	5.2
59.01387	100.0
60.01719	1.6
61.02846	0.7
68.91389	0.7
69.51160	0.9
69.51568	2.6
69.76444	0.8
72.99319	3.5
73.02951	1.1
80.73463	0.7
89.71802	0.7
99.65102	0.8
102.98589	1.0
103.04035	1.4
103.92034	6.3
109.75108	0.8
119.64722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00920	1.0
72.04570	1.2
72.61035	0.3
74.02480	35.5
74.67645	0.2
85.74604	0.2
96.96009	0.3
97.98495	0.2
98.02486	8.1
109.02958	0.2
116.03561	7.9
116.05067	15.6
125.02501	0.3
129.05901	0.2
130.06635	1.4
142.06633	3.6
144.92740	0.2
148.37016	0.2
156.08174	0.4
157.07767	0.3
159.09283	3.5
183.09283	0.8
186.05649	0.8
201.10345	2.5
203.08276	37.9
204.08682	0.3
245.09317	100.0
246.09680	1.1
282.74976	0.2
289.07642	0.7
422.73230	0.3
578.17297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02955	2.3
81.03451	1.3
82.69396	0.7
83.01396	1.6
85.02960	13.0
87.00887	2.5
87.95686	0.7
89.02005	1.0
89.02460	9.3
92.21492	0.8
95.01389	0.9
101.02445	5.6
113.02462	7.3
113.48549	0.7
119.03531	1.2
127.04029	3.1
130.04041	0.7
131.03519	2.2
133.14929	0.8
145.05092	1.7
188.71698	0.9
200.87634	0.8
378.07138	0.9
423.32605	5.1
432.35617	0.9
439.31992	1.1
471.34793	19.7
472.35159	0.9
585.38074	6.8
603.39032	9.6
731.43115	1.0
749.45056	2.1
773.79614	0.9
1043.54456	100.0
1044.54749	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	1045.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02943	4.8
83.01389	3.3
84.00037	1.0
84.89064	1.0
85.02956	11.3
87.00874	1.3
89.02449	8.8
90.75082	1.0
95.01393	3.1
97.02937	1.7
99.00871	2.3
101.02450	16.5
109.55058	0.9
113.02464	10.0
116.92908	0.9
119.03517	2.6
125.02436	1.6
131.03534	1.4
135.04523	1.8
136.09128	0.9
137.65582	1.0
143.03542	1.0
149.04640	1.0
151.03972	1.0
161.04559	3.4
189.46153	1.1
191.05681	1.1
200.04385	0.9
203.05727	1.5
209.20126	1.0
209.22282	1.1
223.59985	0.9
357.12985	1.7
457.33429	1.9
619.38141	1.1
781.44202	2.1
795.66376	1.1
823.45300	8.1
925.47864	14.1
943.48785	7.7
985.50201	100.0
986.50983	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	1047.2996
Annotation	Capilliposide II
Peak:m/z	Relative Intensity
83.01387	0.4
93.03465	0.8
100.89181	0.2
107.01389	1.0
109.02982	0.4
117.03513	1.0
117.04206	0.2
119.05038	0.3
123.04479	0.2
133.02948	0.2
133.79149	0.2
135.00900	0.6
141.07143	0.2
143.05090	0.5
145.02968	1.7
145.06575	0.2
147.04671	0.2
151.00409	1.2
154.04276	0.5
155.05063	0.3
157.06647	0.5
159.04570	0.7
161.02464	0.4
163.00389	1.1
163.03998	0.4
165.01962	0.3
167.04980	0.3
169.01425	0.4
169.06628	0.5
171.04514	0.4
173.06097	0.3
183.04489	0.4
184.05339	0.2
185.06105	1.3
187.04053	1.3
189.05611	0.4
191.05545	0.2
192.00731	0.3
195.04526	0.4
197.06123	0.5
199.04091	0.5
201.05597	0.3
211.04031	0.8
212.04814	0.3
213.05621	1.0
214.02699	0.5
215.03593	0.4
223.04109	0.2
227.03532	3.9
229.05089	4.5
234.12959	0.2
239.03436	1.0
240.04367	0.5
241.05171	0.5
243.02975	0.5
255.03043	4.6
256.03787	0.5
257.04587	2.5
267.02896	0.4
269.04489	0.3
271.02567	0.3
283.02499	1.4
284.03329	2.7
285.04077	100.0
286.04358	1.2
302.81558	0.2
453.14102	3.0
593.15192	13.5
594.16101	0.2
653.63123	0.2
739.18878	10.2
740.19647	0.3
847.92651	0.2
1047.29883	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	105.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99810	0.6
58.00591	0.3
59.01382	28.8
59.98531	0.3
60.01724	0.4
60.99318	0.1
66.90292	0.0
70.23392	0.1
71.37943	0.1
72.99313	52.9
73.99654	0.7
74.00101	0.2
75.00876	55.0
76.01209	0.7
87.00887	0.1
94.29442	0.1
94.61755	0.0
103.00378	1.1
105.01940	100.0
106.02275	2.0
118.99879	0.2
124.36472	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	105.0194
Annotation	Glyceric acid
Peak:m/z	Relative Intensity
56.99808	1.1
59.01384	29.6
69.70094	1.8
72.99316	51.2
75.00880	57.5
76.01228	0.6
93.55673	0.6
103.00382	1.9
105.01947	100.0
106.02296	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	1055.232
Annotation	Unknow
Peak:m/z	Relative Intensity
73.32697	0.2
74.45228	0.2
75.00888	0.7
83.01394	0.5
85.02961	3.3
86.34167	0.2
86.78423	0.2
87.00881	0.7
91.01949	0.6
93.03475	1.2
95.01375	1.2
98.22603	0.2
99.00902	1.1
103.00391	0.6
107.01421	1.5
109.02940	0.8
113.02463	4.6
115.00401	0.5
117.01959	0.5
117.03468	0.4
131.05031	0.4
132.02234	0.3
135.00887	1.1
135.04549	0.4
137.02475	0.6
143.05057	1.5
145.02927	0.4
145.06596	0.3
151.00401	2.1
153.01985	0.6
154.04306	0.4
155.05003	0.5
157.06630	0.9
159.04552	1.5
161.02516	0.3
163.00386	2.6
164.01108	0.5
165.01981	0.5
167.05013	0.6
169.06618	1.0
171.04546	0.9
173.06068	0.3
175.02525	2.2
179.00015	0.3
179.03600	0.3
183.04532	0.8
185.06091	3.3
187.04041	3.9
189.05618	1.3
190.99936	0.3
191.05656	0.3
192.00705	0.2
195.04556	1.1
196.05373	0.2
197.06123	0.9
198.03229	0.4
199.04030	1.1
201.05615	1.1
211.04013	2.5
212.04596	0.3
213.05565	2.4
214.02855	0.6
215.03534	0.5
223.03987	0.4
224.04790	0.3
227.03525	16.6
228.03984	0.4
229.05074	11.9
230.05420	0.4
239.03464	2.0
240.04411	0.5
241.05046	1.7
243.03017	0.6
255.03014	28.4
256.03696	2.7
256.08136	0.3
257.04578	7.5
267.02975	1.0
283.02454	0.4
284.03308	40.5
285.04071	100.0
286.04428	1.9
327.05115	1.0
461.07321	18.2
462.07349	0.4
582.43390	0.3
593.15186	99.3
594.15540	3.1
654.57288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01408	0.9
85.02952	0.9
87.00883	0.5
89.02457	0.6
89.04051	0.3
90.29665	0.3
90.50303	0.3
93.03485	1.1
95.01391	0.4
101.02441	0.9
101.40501	0.3
107.01405	1.7
109.02971	0.8
113.02467	0.5
117.03481	1.4
120.33872	0.3
121.02972	0.5
121.70016	0.4
124.25768	0.4
127.04021	0.8
132.02184	1.3
133.02972	13.4
134.03722	0.8
135.00900	0.7
135.04544	8.9
137.02451	0.7
143.05069	0.7
145.05092	1.4
147.04549	0.5
149.06119	1.1
151.00403	3.0
153.01949	0.5
154.04274	0.4
155.04999	0.4
157.06619	0.4
159.04527	1.1
161.02463	47.6
162.02806	0.4
163.00397	1.5
167.05031	0.4
169.06641	0.5
171.04504	0.4
177.05586	2.0
178.02705	0.3
179.03513	11.6
183.04530	0.6
185.06079	1.8
187.04007	2.1
195.04503	0.7
196.05252	0.4
197.06152	0.5
199.03992	0.5
201.05536	0.6
203.03609	0.6
211.04005	1.5
212.04648	0.4
213.05545	1.3
221.04593	4.5
227.03520	22.0
228.03931	0.5
229.05099	6.2
239.03510	1.1
240.04277	0.6
241.05046	0.8
243.02959	0.6
251.05600	2.6
255.03011	38.1
256.03674	2.4
257.04562	3.4
263.05569	0.4
267.02960	0.4
269.04553	6.3
281.06659	4.3
283.02429	1.6
284.03299	39.6
285.04068	100.0
286.04410	1.3
323.07803	2.8
327.05106	1.0
332.82587	0.4
341.08786	0.7
431.09781	0.9
447.09460	1.0
457.80197	0.4
464.26004	0.4
469.13556	48.3
470.13788	0.6
491.04657	0.4
593.15192	32.5
594.15485	0.6
604.03784	0.4
631.18927	1.1
755.18347	59.2
756.18463	1.1
777.24652	3.0
901.25360	2.3
1063.29492	17.7
1064.30371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01408	0.9
85.02952	0.9
87.00883	0.5
89.02457	0.6
89.04051	0.3
90.29665	0.3
90.50303	0.3
93.03485	1.1
95.01391	0.4
101.02441	0.9
101.40501	0.3
107.01405	1.7
109.02971	0.8
113.02467	0.5
117.03481	1.4
120.33872	0.3
121.02972	0.5
121.70016	0.4
124.25768	0.4
127.04021	0.8
132.02184	1.3
133.02972	13.4
134.03722	0.8
135.00900	0.7
135.04544	8.9
137.02451	0.7
143.05069	0.7
145.05092	1.4
147.04549	0.5
149.06119	1.1
151.00403	3.0
153.01949	0.5
154.04274	0.4
155.04999	0.4
157.06619	0.4
159.04527	1.1
161.02463	47.6
162.02806	0.4
163.00397	1.5
167.05031	0.4
169.06641	0.5
171.04504	0.4
177.05586	2.0
178.02705	0.3
179.03513	11.6
183.04530	0.6
185.06079	1.8
187.04007	2.1
195.04503	0.7
196.05252	0.4
197.06152	0.5
199.03992	0.5
201.05536	0.6
203.03609	0.6
211.04005	1.5
212.04648	0.4
213.05545	1.3
221.04593	4.5
227.03520	22.0
228.03931	0.5
229.05099	6.2
239.03510	1.1
240.04277	0.6
241.05046	0.8
243.02959	0.6
251.05600	2.6
255.03011	38.1
256.03674	2.4
257.04562	3.4
263.05569	0.4
267.02960	0.4
269.04553	6.3
281.06659	4.3
283.02429	1.6
284.03299	39.6
285.04068	100.0
286.04410	1.3
323.07803	2.8
327.05106	1.0
332.82587	0.4
341.08786	0.7
431.09781	0.9
447.09460	1.0
457.80197	0.4
464.26004	0.4
469.13556	48.3
470.13788	0.6
491.04657	0.4
593.15192	32.5
594.15485	0.6
604.03784	0.4
631.18927	1.1
755.18347	59.2
756.18463	1.1
777.24652	3.0
901.25360	2.3
1063.29492	17.7
1064.30371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
78.41214	0.3
83.01402	0.6
85.02964	0.8
87.00875	0.3
89.02489	0.3
91.01910	0.3
93.03461	1.6
101.02467	0.9
107.01413	1.5
107.05061	0.4
109.02976	0.9
117.03490	0.7
126.76259	0.3
127.04066	0.8
130.04250	0.3
132.02209	0.6
133.02977	11.2
134.03723	0.6
135.00902	1.0
135.04544	8.2
137.02505	0.9
141.07130	0.3
143.05026	0.9
145.03020	0.6
145.05127	1.4
149.06094	0.6
151.00380	1.3
153.01915	0.4
155.05096	0.3
157.06638	0.5
159.04559	1.1
160.64265	0.3
161.02463	34.8
163.00369	1.9
165.02007	0.4
167.05057	0.4
169.06586	1.1
171.04535	0.9
173.06100	0.4
175.04175	0.3
177.05591	1.9
179.00000	0.3
179.03511	8.3
183.04546	0.3
185.06102	2.4
187.04005	2.0
189.05591	1.2
195.04507	0.8
196.05334	0.3
197.06082	1.0
199.04028	0.7
201.05614	1.0
211.03995	1.9
212.04704	0.4
213.05560	2.2
215.03534	0.4
221.04591	2.4
223.04065	0.4
227.03531	7.9
229.05066	8.7
239.03546	1.4
240.04274	0.7
241.05141	1.3
243.02966	0.4
251.05768	1.4
255.03008	9.4
256.03815	1.2
257.04590	5.1
267.03076	0.8
281.06741	3.8
283.02539	0.7
284.03287	5.4
285.04074	100.0
286.04382	0.9
323.07776	1.9
341.08789	0.4
469.13547	33.5
470.13794	0.8
588.22644	0.3
593.15198	15.3
594.14630	0.3
654.05811	0.3
755.18378	28.7
756.18878	0.4
1063.29431	23.5
1064.30664	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	107.0505
Annotation	o-Cresol
Peak:m/z	Relative Intensity
52.46019	2.4
59.01382	3.7
63.92191	2.5
68.84380	2.7
69.07159	4.9
69.07561	15.7
79.05521	5.4
85.74871	2.3
88.79916	2.3
90.12953	2.5
95.71674	2.4
103.90215	2.4
106.04274	7.9
107.02444	5.0
107.05048	100.0
108.02164	6.0
108.04572	26.4
108.05339	5.9
123.04557	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	1071.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01406	1.2
84.44836	0.8
85.02976	5.4
86.00103	1.6
87.00878	4.4
89.02459	5.6
95.01350	1.1
97.02956	1.6
101.02466	9.4
109.12247	1.0
110.71250	0.8
113.02480	5.1
127.04074	2.3
129.33792	1.0
132.88805	0.9
143.03546	1.1
155.07103	0.9
161.04585	1.6
307.89056	1.0
367.90530	1.0
451.32410	1.1
469.33307	14.6
471.35046	2.1
531.61981	0.9
541.35364	2.6
583.08398	1.2
583.36383	7.8
601.37433	11.5
669.85162	1.1
747.43274	4.6
1071.53870	100.0
1072.53979	2.8
1073.68994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03466	1.2
81.65749	0.4
83.01393	1.8
83.05023	0.5
85.02966	6.1
87.00883	1.7
89.02454	4.5
90.06100	0.5
95.01434	0.9
97.02958	0.4
97.25237	0.4
98.22684	1.4
99.00884	0.7
99.04545	0.8
101.02451	5.4
103.04019	0.5
107.90827	0.4
109.02975	1.2
113.02467	4.2
119.03522	1.4
127.04037	1.8
131.03520	1.6
133.02907	0.5
143.03511	0.7
158.14131	0.5
161.02495	0.8
161.04596	1.2
186.04019	0.5
196.64035	0.4
209.75226	0.4
316.15652	0.5
423.32809	3.8
439.32324	0.7
453.34064	0.5
469.32791	0.5
471.34848	16.9
499.34457	0.8
585.37793	4.5
603.39032	12.7
618.15930	0.5
749.44806	1.2
765.44617	1.6
902.28412	0.6
911.50012	3.6
983.47186	0.5
1073.55554	100.0
1074.54688	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	1073.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.7
83.01398	2.1
83.05022	0.4
85.02960	5.2
86.00097	0.4
87.00898	1.7
89.02450	6.0
95.01398	1.0
97.02953	1.3
99.00893	1.2
99.04509	0.6
101.02451	9.6
109.02972	1.0
111.00877	0.4
113.02460	3.9
119.03529	2.1
125.02452	1.1
127.04044	1.2
128.65407	0.2
131.03529	2.0
143.03535	1.2
145.05081	0.6
161.04518	1.8
179.05705	0.4
221.06671	0.8
247.45963	0.3
423.32684	0.4
471.34811	15.6
472.34683	0.4
525.35901	0.4
571.41772	0.3
585.37976	4.3
585.46619	0.5
603.39099	7.5
703.73444	0.4
713.42664	0.4
731.43890	0.6
749.44891	3.4
773.44983	0.4
893.47778	0.4
911.49609	0.9
1059.91943	0.3
1073.55469	100.0
1074.56104	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	1073.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00877	0.5
81.03446	1.2
83.01406	2.1
84.70949	0.4
85.02958	6.0
87.00875	2.3
87.66293	0.4
89.02456	9.0
95.01405	1.3
96.96024	1.3
97.02962	2.2
99.00898	1.4
99.04541	0.6
101.01800	0.8
101.02449	11.4
101.03111	0.6
109.02953	0.9
113.02463	5.3
115.04041	0.6
119.03541	2.0
123.00851	0.4
125.02454	2.1
126.48699	0.4
127.04044	1.9
131.03508	1.9
133.03018	0.9
135.04556	0.4
143.03496	1.7
145.05052	0.9
161.02478	1.9
161.04570	2.5
179.05615	0.9
205.07161	0.5
221.06677	1.4
257.14014	0.4
328.05655	0.4
423.32770	3.8
439.32269	1.3
453.33862	0.4
469.33051	1.0
471.34891	18.1
544.04694	0.4
585.38013	7.2
603.39081	9.4
731.43555	1.1
749.45142	2.8
837.86566	1.9
838.36792	0.9
893.49237	0.5
911.50452	1.5
1073.55432	100.0
1074.55090	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	1077.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00859	1.5
85.02953	5.9
87.00887	2.1
89.02489	0.8
93.03459	0.8
98.21838	1.3
99.00889	13.6
101.02466	1.6
105.03524	1.2
107.01402	1.9
107.04995	0.9
108.76790	0.7
111.00916	1.0
113.02488	3.5
115.00391	0.8
117.03484	7.0
127.04033	1.9
132.02188	2.0
132.34758	0.7
132.37370	0.7
133.02971	21.1
134.03761	2.8
135.04532	28.8
143.03592	0.8
149.02423	1.2
149.06122	1.0
151.00420	1.2
157.01418	1.5
159.04524	2.0
161.02460	45.3
175.02406	0.9
179.03505	16.8
181.06619	0.9
183.04532	1.4
199.03963	1.0
201.05571	1.0
203.03519	1.9
225.05556	1.4
227.03474	1.7
245.04443	1.9
255.03017	1.0
268.03781	1.4
269.04562	100.0
270.04849	1.8
284.02979	0.8
285.04105	4.0
319.04636	3.0
337.05579	3.2
367.12515	0.8
379.06766	3.1
387.49966	0.7
431.09930	1.3
645.18768	2.5
665.99231	0.8
739.21124	4.5
789.20941	2.0
807.22107	31.4
897.23041	6.1
915.24677	5.3
1077.27271	33.6
1078.26489	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02975	0.3
87.00877	0.4
93.03488	0.8
93.21524	0.3
98.28403	0.3
101.02441	0.6
101.99722	0.3
106.45822	0.3
108.02178	1.0
109.02966	14.0
117.03464	1.0
119.05040	0.6
121.02958	1.5
129.03502	0.8
130.04262	0.3
131.05054	0.8
133.02971	0.6
134.03787	0.5
135.04546	0.6
137.02444	1.1
139.80403	0.3
145.02985	4.9
145.05077	0.7
145.71819	0.3
146.03748	1.9
147.04546	7.7
155.10799	1.8
157.02971	9.0
158.03761	2.5
159.03198	0.6
159.04533	11.8
161.02498	1.1
163.04041	1.2
171.04520	0.3
173.02415	2.8
174.03230	0.9
175.04021	3.2
179.03383	0.4
183.04640	0.4
185.02478	3.8
186.03209	0.7
187.04033	1.0
187.54497	0.3
189.02000	0.4
191.03520	0.4
193.06610	1.0
196.05370	0.5
197.06104	1.0
199.09772	2.1
201.01974	1.3
201.05713	0.3
202.02762	0.9
203.03551	2.6
209.06113	0.4
211.04118	0.6
211.07629	1.1
213.05592	0.4
220.05339	0.6
221.06070	2.7
222.06818	0.6
223.07768	0.4
224.04893	0.7
227.03525	10.4
229.01440	40.4
230.02151	1.0
232.05386	0.3
233.06105	0.4
237.05559	0.8
238.06396	0.9
239.03502	0.5
239.07141	2.9
240.04349	0.6
245.04488	2.0
248.04808	1.4
249.05591	6.1
250.06393	2.2
251.07072	0.8
253.05135	1.2
255.03011	14.6
256.03754	0.9
265.05069	1.4
266.05832	3.0
267.06644	17.0
269.08234	4.4
276.04343	1.2
277.05096	10.8
277.08072	0.6
278.05823	2.2
280.03824	0.8
284.03305	10.2
285.04068	8.7
286.04349	0.5
292.03665	0.5
293.04581	6.1
293.07645	0.6
294.05313	2.8
295.06152	19.9
305.06503	0.4
311.05551	0.8
313.07288	1.9
321.04187	0.4
322.78574	0.3
339.05118	100.0
340.05591	1.3
355.08304	2.6
357.05988	0.9
385.09506	0.8
399.07172	0.6
399.43848	0.3
415.10461	0.9
431.09912	7.8
457.11417	0.6
467.09933	0.9
481.13718	0.6
485.10950	0.5
493.13522	1.1
519.12018	0.6
537.12225	1.4
556.22241	0.3
603.17267	11.6
647.16229	28.1
648.16266	0.4
797.45587	0.4
933.21649	0.5
1079.26465	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	1079.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
79.53202	0.2
83.01395	0.8
85.02959	0.6
91.01923	0.2
93.03459	1.5
95.01392	0.5
96.96043	0.3
101.02425	0.5
105.03447	0.2
105.37486	0.2
107.01398	1.9
107.05033	0.2
108.86544	0.2
109.02957	0.7
113.02470	0.2
117.03459	0.7
119.01437	0.3
123.00851	0.3
123.04539	0.4
127.04051	0.6
131.64189	0.2
132.02219	1.1
133.02975	11.5
134.03731	0.7
135.00893	0.5
135.04547	7.1
135.05341	0.2
137.02484	0.3
141.07114	0.3
143.05032	0.9
145.02998	0.2
145.05103	0.7
145.06487	0.2
149.06078	0.7
151.00397	3.8
152.01129	0.2
154.04236	0.4
157.06628	0.7
158.03799	0.2
159.04523	0.9
161.02467	34.7
163.00436	1.3
164.01167	0.4
165.01939	0.5
167.05064	0.3
169.01407	0.5
169.06606	1.0
171.04515	0.9
173.02444	0.3
175.04045	0.4
177.05560	1.7
179.03522	6.6
182.03683	0.3
183.04529	0.7
185.06099	2.4
187.03998	2.0
189.05582	0.7
195.04529	0.4
197.06152	0.7
199.03969	0.4
201.05556	0.5
203.03574	0.4
211.04030	1.2
212.04848	0.3
213.05612	1.7
214.02774	0.6
215.03508	0.6
221.04587	2.2
227.03522	3.2
229.05075	5.9
233.04636	0.3
239.03482	1.3
240.04292	0.5
241.05040	1.1
243.03096	0.7
251.05656	1.3
255.03046	4.1
256.03766	0.8
257.04620	4.0
267.02945	0.5
281.06662	2.7
283.02567	0.4
284.03326	3.4
285.04074	100.0
286.04480	0.9
323.07730	2.9
339.05161	0.3
341.09052	0.4
447.09308	3.3
469.13550	21.0
513.36359	0.2
593.14844	0.2
609.12549	23.0
610.12531	0.3
631.18713	0.4
728.94855	0.2
755.18353	18.3
756.18323	0.3
917.23688	15.8
1079.26929	13.2
1080.26978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02955	0.9
93.03497	0.9
95.33389	0.3
101.02463	0.5
107.53643	0.5
108.02179	1.4
109.02964	15.1
116.76974	0.3
117.03465	0.9
119.05034	0.6
121.02958	1.4
127.03973	0.4
129.03497	0.7
131.05011	1.1
135.04553	0.9
137.02438	1.5
145.02962	4.8
145.05103	0.4
146.03770	1.8
147.04549	9.5
150.03232	0.5
151.00336	0.4
157.02965	7.3
158.03789	1.8
159.04547	11.3
161.02451	2.1
163.04033	1.6
173.02472	3.0
174.03204	1.2
175.04007	3.1
179.03528	0.7
183.04521	0.8
185.02440	3.5
185.06122	0.5
186.03206	1.1
187.04100	0.9
193.06650	0.8
196.05193	0.5
197.06094	0.6
201.01978	1.5
202.02682	0.6
203.03499	2.8
209.06190	0.5
211.04140	0.4
211.07635	1.1
213.01953	0.4
221.06126	2.7
222.06828	0.5
223.07672	0.4
224.04826	1.0
225.05544	1.0
227.03523	10.8
228.04079	0.4
229.01434	44.9
230.02171	1.1
237.05623	1.1
238.06326	0.9
239.07195	3.1
240.04401	0.4
241.05173	0.5
245.04611	2.0
248.04860	1.2
249.05568	6.8
250.06416	2.1
251.07222	0.8
253.05075	1.2
255.03018	14.2
256.03677	1.2
265.05093	1.7
266.05780	2.6
267.06653	16.8
268.07095	0.4
269.04889	0.7
269.08133	4.0
276.04373	1.3
277.05087	11.5
278.05884	2.0
280.03650	0.6
284.03302	9.8
285.04083	9.9
293.04605	5.0
294.05356	3.5
295.06149	21.9
313.07294	2.0
339.05121	100.0
340.05435	1.5
355.08310	2.3
357.06033	0.8
385.09271	0.6
399.07092	0.7
415.10541	1.1
431.04199	0.5
431.09912	7.0
447.09421	0.5
457.11273	0.6
467.09799	0.5
478.99393	0.4
493.14072	0.8
537.12408	1.7
603.17236	12.7
647.16205	27.5
720.47266	0.4
795.80115	0.4
1079.27258	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	108.0457
Annotation	2-Aminophenol
Peak:m/z	Relative Intensity
57.41542	0.4
65.90151	0.5
70.80782	0.7
75.30194	0.4
78.38986	0.4
81.03471	1.4
90.03519	0.6
91.01907	0.8
107.03785	22.7
107.42168	0.5
108.02213	2.6
108.04568	100.0
109.02964	5.1
109.04165	0.9
109.04895	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	1081.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
77.94072	2.5
85.02972	6.8
89.02464	13.2
89.98488	2.7
101.02467	11.4
106.06660	8.0
113.02454	10.7
116.24416	2.7
119.03505	6.6
120.08220	4.4
122.06165	9.1
134.06122	26.8
137.02483	3.6
152.07079	3.3
161.02357	3.1
173.02214	3.0
178.08765	3.5
204.08330	2.7
239.11865	3.6
249.10391	3.0
251.08356	2.6
263.11938	3.2
264.09158	4.2
265.09875	12.3
269.44525	2.7
277.09964	4.2
279.11499	4.7
291.11371	3.1
293.08768	8.9
305.09506	3.3
317.12921	4.8
331.14511	5.7
357.12558	4.5
370.04410	2.7
375.13928	3.0
386.14728	3.5
490.20004	2.9
690.26880	11.8
702.27039	9.3
755.29260	19.8
825.33685	55.7
857.35956	22.7
869.32629	5.8
903.69891	3.4
927.31458	3.9
949.84717	3.3
1005.39490	13.1
1037.41541	4.2
1049.39087	100.0
1081.41248	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	2.6
84.30274	0.8
85.02957	4.6
86.00097	1.4
87.00889	3.1
89.02441	4.6
95.01383	1.2
96.90105	0.7
97.02958	1.5
98.22684	2.0
101.02448	9.6
109.02994	1.5
113.02480	4.3
119.03531	1.6
125.02457	1.2
127.04051	1.0
131.03485	1.0
132.07541	0.8
133.02968	2.1
143.03517	1.1
161.02451	3.3
161.04538	1.7
167.92090	0.8
192.56342	0.8
221.06679	1.1
485.32693	8.3
487.34430	1.2
557.34967	1.6
599.35840	5.4
617.36896	6.7
632.72095	0.9
763.42853	3.1
1025.31689	0.9
1056.48987	1.0
1087.53418	100.0
1088.53772	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	1088.38
Annotation	Unknow
Peak:m/z	Relative Intensity
78.69872	26.0
112.96321	21.4
136.01657	48.6
151.04013	100.0
152.04382	27.4
267.57986	25.2
336.50330	24.2
357.13416	90.6
358.13892	55.7
439.30896	26.1
448.15723	23.0
765.38477	24.2
783.71619	29.6
969.43829	27.6
1101.91260	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.549
Annotation	Unknow
Peak:m/z	Relative Intensity
79.73022	0.5
81.03459	0.7
83.01392	2.2
83.21834	0.5
85.02943	4.6
86.33068	0.5
87.00880	1.6
89.02454	6.4
94.37383	0.5
95.01393	1.7
97.02941	1.8
97.03569	0.5
98.22657	0.8
99.00904	1.3
99.04533	0.7
101.02453	8.2
102.41858	0.6
109.02935	0.7
113.02473	5.0
115.04016	0.6
119.03523	1.9
125.02487	1.0
127.04032	1.4
128.07007	0.6
131.03510	1.9
136.73926	0.5
143.03488	1.7
145.05054	0.7
161.04564	2.4
186.39998	0.5
221.06644	1.0
360.94653	0.6
439.32254	3.8
455.31790	1.0
487.34326	12.1
491.49756	0.6
521.68787	0.7
601.37445	5.8
619.38568	7.7
720.92340	0.7
747.43457	1.0
765.44305	1.8
1089.54932	100.0
1090.54065	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	1093.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	0.5
85.02960	3.4
87.00887	0.6
89.03980	0.4
93.03455	0.6
95.01405	1.2
98.22716	0.2
99.00893	0.5
101.02463	0.5
103.00393	1.1
104.02692	0.2
105.03441	0.7
107.01397	0.4
107.05054	0.3
108.02206	0.2
109.02964	0.8
111.00870	0.2
111.04473	0.1
113.02462	4.1
115.00384	1.2
115.01887	0.2
117.03489	0.7
119.05051	0.2
121.03028	0.2
123.04523	0.3
127.04012	0.3
129.01999	0.2
130.04288	0.2
132.02191	3.4
133.02972	33.7
134.03807	0.9
135.04543	11.1
137.02467	0.3
143.05023	0.2
145.03009	0.3
145.05058	0.3
146.03754	0.2
147.04565	0.8
149.06079	0.7
151.00404	0.8
157.01465	0.2
157.03021	0.2
157.06673	0.2
159.04550	0.6
160.01617	0.2
161.02463	100.0
162.02765	1.0
163.00363	0.2
163.03995	0.7
169.01494	0.2
169.06621	0.3
171.04555	0.4
173.02512	0.3
173.06105	0.3
175.02492	1.9
175.04030	1.1
177.05566	1.3
179.03516	6.3
179.05118	0.3
183.04581	0.1
185.06122	0.5
187.04005	0.6
188.04521	0.1
189.05598	0.5
191.03535	0.5
201.05612	0.5
203.03499	1.4
211.04102	0.4
213.05602	0.4
215.03500	0.3
217.05095	0.5
219.02995	1.6
221.04533	1.3
227.03525	1.8
229.05034	0.9
239.03479	0.3
240.04184	0.2
241.05038	0.3
243.02969	0.2
245.04556	1.1
251.05663	0.6
255.03046	2.7
256.03778	0.4
257.04593	0.7
266.05872	0.5
268.03683	0.3
277.03467	0.3
281.06604	1.2
283.02475	0.6
284.03293	2.4
285.04077	25.9
286.04385	0.5
294.05179	0.2
309.07687	0.3
323.07867	0.7
337.05692	24.2
339.05194	0.3
353.06705	1.6
431.09772	0.2
443.06235	1.9
461.07205	0.3
469.13528	11.0
470.14105	0.2
473.10898	0.2
623.10486	12.5
624.10883	0.4
661.18311	0.3
755.18335	9.7
756.19501	0.3
769.18634	0.8
913.20648	1.4
931.21613	16.4
932.22198	0.3
990.78546	0.2
1034.50281	0.2
1055.04956	0.2
1062.48145	0.2
1093.24792	21.0
1094.23901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.2
83.01385	0.4
83.19138	0.2
85.02955	0.5
87.00866	0.2
93.03470	0.4
99.04553	0.2
101.02445	0.7
101.03957	0.2
107.01454	0.4
108.02181	0.9
108.55156	0.2
109.02966	15.1
117.03471	1.1
119.05061	0.6
121.02971	1.2
123.04506	0.2
127.04031	0.3
129.03462	1.1
130.04303	0.4
131.05037	0.7
131.07147	0.2
133.03015	0.5
134.03731	0.4
135.04568	0.4
137.02464	1.3
145.02959	5.3
145.05078	0.8
146.03738	1.9
147.04547	8.6
149.02498	0.2
151.00404	1.0
157.02960	8.0
158.03766	2.2
159.04538	12.3
161.02470	1.4
163.04034	1.3
173.02454	3.2
174.03224	1.5
175.04013	3.2
178.99841	0.6
179.03506	0.4
181.71237	0.2
183.04533	0.7
183.08258	0.3
185.02454	3.9
185.14165	0.2
186.03239	0.7
187.04001	1.0
189.05544	0.3
191.03488	0.4
191.05487	0.4
193.06566	0.9
196.05408	0.6
197.06035	1.1
199.03951	0.3
201.01932	1.1
202.02722	0.8
203.03537	2.8
204.05872	0.3
205.06613	0.2
207.09880	0.2
209.06102	0.4
211.03990	0.7
211.07637	1.1
213.01891	0.3
213.05446	0.4
215.03566	0.3
220.05327	0.6
221.06119	2.9
222.06882	0.5
223.07704	0.6
224.04758	1.2
225.05624	1.3
227.03531	14.8
228.03873	0.3
229.01436	44.7
230.02118	1.1
232.05296	0.4
233.06305	0.3
237.05505	1.0
238.06386	0.9
239.03363	0.5
239.07158	3.6
245.04582	2.0
248.04755	1.9
249.05591	6.7
250.06335	2.7
251.07190	0.9
252.04263	0.4
253.05086	1.2
254.05891	0.4
255.03020	18.1
256.03793	1.6
257.04419	0.2
260.04684	0.2
261.05481	0.4
264.04291	0.4
265.05096	1.5
266.05875	2.5
267.06647	18.5
268.07428	0.2
269.08215	4.6
271.02512	0.7
276.04193	1.5
277.05087	12.2
278.05841	2.2
280.03851	0.7
283.02628	0.4
283.05945	0.3
284.03296	15.0
285.04080	8.2
285.07346	0.3
286.04233	0.2
292.03650	0.4
293.01563	0.4
293.04590	5.1
293.08014	0.2
294.05365	2.7
295.06137	24.4
296.06400	0.3
300.02737	0.7
301.03583	0.7
305.06607	0.3
311.05627	0.6
313.07263	1.8
321.03986	0.7
327.04993	0.4
339.05112	100.0
340.05499	0.9
347.07767	0.3
353.06839	0.3
355.08292	3.1
357.06131	0.9
385.09311	0.7
399.07239	1.0
415.10397	1.3
429.08069	0.3
447.09351	14.0
448.10010	0.4
457.11816	0.4
459.09540	0.6
467.09946	1.4
481.13684	0.4
493.13474	0.6
501.10831	1.2
525.12262	0.3
537.12653	1.9
542.60004	0.2
601.15747	0.3
603.17242	12.4
647.16223	38.6
648.16644	0.7
755.19171	0.5
852.15155	0.2
889.21191	0.5
933.20093	1.0
1051.27881	0.3
1095.25220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.2
83.01385	0.4
83.19138	0.2
85.02955	0.5
87.00866	0.2
93.03470	0.4
99.04553	0.2
101.02445	0.7
101.03957	0.2
107.01454	0.4
108.02181	0.9
108.55156	0.2
109.02966	15.1
117.03471	1.1
119.05061	0.6
121.02971	1.2
123.04506	0.2
127.04031	0.3
129.03462	1.1
130.04303	0.4
131.05037	0.7
131.07147	0.2
133.03015	0.5
134.03731	0.4
135.04568	0.4
137.02464	1.3
145.02959	5.3
145.05078	0.8
146.03738	1.9
147.04547	8.6
149.02498	0.2
151.00404	1.0
157.02960	8.0
158.03766	2.2
159.04538	12.3
161.02470	1.4
163.04034	1.3
173.02454	3.2
174.03224	1.5
175.04013	3.2
178.99841	0.6
179.03506	0.4
181.71237	0.2
183.04533	0.7
183.08258	0.3
185.02454	3.9
185.14165	0.2
186.03239	0.7
187.04001	1.0
189.05544	0.3
191.03488	0.4
191.05487	0.4
193.06566	0.9
196.05408	0.6
197.06035	1.1
199.03951	0.3
201.01932	1.1
202.02722	0.8
203.03537	2.8
204.05872	0.3
205.06613	0.2
207.09880	0.2
209.06102	0.4
211.03990	0.7
211.07637	1.1
213.01891	0.3
213.05446	0.4
215.03566	0.3
220.05327	0.6
221.06119	2.9
222.06882	0.5
223.07704	0.6
224.04758	1.2
225.05624	1.3
227.03531	14.8
228.03873	0.3
229.01436	44.7
230.02118	1.1
232.05296	0.4
233.06305	0.3
237.05505	1.0
238.06386	0.9
239.03363	0.5
239.07158	3.6
245.04582	2.0
248.04755	1.9
249.05591	6.7
250.06335	2.7
251.07190	0.9
252.04263	0.4
253.05086	1.2
254.05891	0.4
255.03020	18.1
256.03793	1.6
257.04419	0.2
260.04684	0.2
261.05481	0.4
264.04291	0.4
265.05096	1.5
266.05875	2.5
267.06647	18.5
268.07428	0.2
269.08215	4.6
271.02512	0.7
276.04193	1.5
277.05087	12.2
278.05841	2.2
280.03851	0.7
283.02628	0.4
283.05945	0.3
284.03296	15.0
285.04080	8.2
285.07346	0.3
286.04233	0.2
292.03650	0.4
293.01563	0.4
293.04590	5.1
293.08014	0.2
294.05365	2.7
295.06137	24.4
296.06400	0.3
300.02737	0.7
301.03583	0.7
305.06607	0.3
311.05627	0.6
313.07263	1.8
321.03986	0.7
327.04993	0.4
339.05112	100.0
340.05499	0.9
347.07767	0.3
353.06839	0.3
355.08292	3.1
357.06131	0.9
385.09311	0.7
399.07239	1.0
415.10397	1.3
429.08069	0.3
447.09351	14.0
448.10010	0.4
457.11816	0.4
459.09540	0.6
467.09946	1.4
481.13684	0.4
493.13474	0.6
501.10831	1.2
525.12262	0.3
537.12653	1.9
542.60004	0.2
601.15747	0.3
603.17242	12.4
647.16223	38.6
648.16644	0.7
755.19171	0.5
852.15155	0.2
889.21191	0.5
933.20093	1.0
1051.27881	0.3
1095.25220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01408	2.8
83.05032	21.6
85.02959	10.4
85.90930	1.4
87.00900	7.3
89.02454	24.8
89.74036	1.3
93.03460	6.4
95.01387	3.1
97.02965	1.5
101.02453	37.6
108.21944	1.6
109.02959	4.5
111.00901	3.7
111.04527	22.5
113.02460	31.3
119.03532	14.4
123.04536	5.1
125.02450	1.6
125.06087	1.9
131.03528	10.6
133.05052	4.4
135.04517	2.1
137.02429	13.3
141.05540	3.0
143.03381	1.8
149.04501	1.7
155.03497	10.2
161.04556	4.7
167.03513	2.9
172.20863	1.5
173.04535	1.8
179.05611	11.7
185.04613	1.9
275.07779	26.0
293.08813	100.0
294.08759	1.5
303.10968	1.9
317.08804	67.8
335.09900	2.6
347.09885	29.0
358.63599	1.7
365.10831	4.7
368.03842	1.7
377.10773	12.1
395.11984	17.4
448.17572	1.6
455.13812	2.8
709.37823	1.8
709.51398	1.9
869.29498	1.7
1068.25879	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	1109.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
76.99032	0.5
81.03484	0.8
81.84125	0.6
83.01372	0.9
85.02955	5.3
87.00877	1.0
91.01908	1.1
93.03477	2.4
95.01405	1.6
99.00887	2.0
101.02478	0.9
101.04001	0.5
103.00391	0.6
107.01406	2.4
108.02194	1.4
109.02964	27.3
113.02468	4.7
117.03480	1.1
119.05052	1.4
121.02977	2.7
122.81524	0.6
123.04533	0.7
127.03996	0.8
129.03442	1.7
131.05040	1.8
132.85457	0.5
133.02962	0.7
135.00940	0.6
135.04536	1.2
137.02454	2.2
143.05014	1.4
145.02962	9.0
145.05080	1.2
146.03748	3.9
147.03329	0.9
147.04536	18.3
150.03268	0.9
151.00389	2.4
152.44804	0.5
155.05058	0.8
157.02946	12.0
157.06575	1.1
158.03722	4.5
159.04527	24.1
161.02443	3.1
163.00383	1.9
163.04024	2.5
167.04964	0.7
169.06602	1.5
171.04529	1.0
173.02463	5.1
174.03264	1.6
175.02498	1.8
175.04016	5.8
183.04480	1.4
185.02431	5.9
185.06128	3.6
186.03241	1.3
187.04012	3.9
189.05537	1.2
191.03502	0.8
193.06529	1.3
195.04474	1.3
196.05412	0.7
197.06117	2.3
199.03996	1.0
201.01881	2.8
201.05632	1.5
202.02750	0.8
203.03539	6.9
211.04025	2.6
211.07663	1.9
213.05588	1.7
215.03465	0.8
221.06055	4.1
222.06923	0.6
223.07825	1.1
224.04816	1.7
225.05586	1.8
227.03545	2.6
229.01437	61.7
229.04878	11.3
230.02092	1.7
237.05605	1.6
238.06322	1.8
239.03458	1.8
239.07198	4.4
240.04320	1.5
241.05086	1.7
243.03070	0.6
245.04562	5.1
248.04832	2.8
249.05592	8.8
250.06441	4.1
251.07034	0.9
253.05019	1.9
255.03107	1.6
256.03607	0.9
257.04617	5.1
265.05020	3.4
266.05780	4.5
267.06622	26.0
269.08191	9.5
276.04242	1.6
277.05084	18.4
278.05777	2.9
280.03613	1.0
284.03372	0.8
285.04068	100.0
286.04358	1.6
293.04578	10.1
293.07684	0.6
294.05353	5.2
295.06140	38.0
300.02759	0.8
305.06766	1.0
311.05756	0.9
313.07178	2.4
321.04034	1.1
339.05103	83.9
340.05630	0.8
347.07480	0.6
355.08316	6.0
357.06174	1.6
385.09296	1.1
399.07190	1.2
415.10229	2.0
457.11722	1.1
459.09851	0.7
461.07355	7.8
467.09543	0.9
485.11407	0.7
493.13696	2.7
519.11517	0.6
525.12311	1.2
537.12683	1.1
593.15283	0.8
603.09747	0.4
603.17181	25.0
647.16187	38.5
769.18323	13.0
769.31494	0.9
889.21973	4.1
933.20630	5.1
1065.25269	10.9
1109.24182	35.4
1110.23975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
76.99032	0.5
81.03484	0.8
81.84125	0.6
83.01372	0.9
85.02955	5.3
87.00877	1.0
91.01908	1.1
93.03477	2.4
95.01405	1.6
99.00887	2.0
101.02478	0.9
101.04001	0.5
103.00391	0.6
107.01406	2.4
108.02194	1.4
109.02964	27.3
113.02468	4.7
117.03480	1.1
119.05052	1.4
121.02977	2.7
122.81524	0.6
123.04533	0.7
127.03996	0.8
129.03442	1.7
131.05040	1.8
132.85457	0.5
133.02962	0.7
135.00940	0.6
135.04536	1.2
137.02454	2.2
143.05014	1.4
145.02962	9.0
145.05080	1.2
146.03748	3.9
147.03329	0.9
147.04536	18.3
150.03268	0.9
151.00389	2.4
152.44804	0.5
155.05058	0.8
157.02946	12.0
157.06575	1.1
158.03722	4.5
159.04527	24.1
161.02443	3.1
163.00383	1.9
163.04024	2.5
167.04964	0.7
169.06602	1.5
171.04529	1.0
173.02463	5.1
174.03264	1.6
175.02498	1.8
175.04016	5.8
183.04480	1.4
185.02431	5.9
185.06128	3.6
186.03241	1.3
187.04012	3.9
189.05537	1.2
191.03502	0.8
193.06529	1.3
195.04474	1.3
196.05412	0.7
197.06117	2.3
199.03996	1.0
201.01881	2.8
201.05632	1.5
202.02750	0.8
203.03539	6.9
211.04025	2.6
211.07663	1.9
213.05588	1.7
215.03465	0.8
221.06055	4.1
222.06923	0.6
223.07825	1.1
224.04816	1.7
225.05586	1.8
227.03545	2.6
229.01437	61.7
229.04878	11.3
230.02092	1.7
237.05605	1.6
238.06322	1.8
239.03458	1.8
239.07198	4.4
240.04320	1.5
241.05086	1.7
243.03070	0.6
245.04562	5.1
248.04832	2.8
249.05592	8.8
250.06441	4.1
251.07034	0.9
253.05019	1.9
255.03107	1.6
256.03607	0.9
257.04617	5.1
265.05020	3.4
266.05780	4.5
267.06622	26.0
269.08191	9.5
276.04242	1.6
277.05084	18.4
278.05777	2.9
280.03613	1.0
284.03372	0.8
285.04068	100.0
286.04358	1.6
293.04578	10.1
293.07684	0.6
294.05353	5.2
295.06140	38.0
300.02759	0.8
305.06766	1.0
311.05756	0.9
313.07178	2.4
321.04034	1.1
339.05103	83.9
340.05630	0.8
347.07480	0.6
355.08316	6.0
357.06174	1.6
385.09296	1.1
399.07190	1.2
415.10229	2.0
457.11722	1.1
459.09851	0.7
461.07355	7.8
467.09543	0.9
485.11407	0.7
493.13696	2.7
519.11517	0.6
525.12311	1.2
537.12683	1.1
593.15283	0.8
603.09747	0.4
603.17181	25.0
647.16187	38.5
769.18323	13.0
769.31494	0.9
889.21973	4.1
933.20630	5.1
1065.25269	10.9
1109.24182	35.4
1110.23975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03453	0.7
83.01389	1.2
83.05016	0.3
85.02957	3.7
87.00889	1.4
89.02456	4.5
95.01397	0.7
97.02949	0.9
99.00898	1.0
99.04530	0.3
101.02458	6.5
105.38203	0.1
108.02164	0.1
109.02937	0.5
113.02460	3.0
115.04012	0.4
119.03522	1.5
123.04545	0.2
125.02434	0.9
127.04045	1.1
129.01974	0.1
131.03497	0.9
143.03508	0.8
145.04153	0.1
145.05125	0.7
149.04559	0.3
151.04047	0.2
159.02998	0.2
161.04585	1.5
179.05630	0.5
187.06120	0.1
221.06599	0.6
264.12729	0.1
277.38461	0.1
325.02933	0.1
336.04712	0.1
389.71173	0.1
393.31711	0.3
423.32693	2.3
439.32233	0.7
453.33932	0.1
469.33337	0.4
471.34833	11.7
525.35834	0.4
585.37994	5.0
586.37415	0.2
603.39087	6.5
604.39203	0.2
713.42792	0.2
731.44128	0.7
748.66028	0.1
749.44751	2.0
773.43701	0.2
893.48639	0.1
911.49957	0.3
1073.55432	100.0
1074.55493	2.5
1109.53101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
78.10346	0.3
81.03471	0.9
83.01389	1.4
83.05029	0.4
85.02967	4.9
86.00149	0.3
87.00875	1.3
89.02453	4.1
95.01409	0.7
99.00894	0.9
99.04515	0.9
101.02463	5.1
109.02950	0.7
113.02460	4.0
115.04003	0.5
119.03523	1.4
127.04039	1.6
131.03496	0.9
133.02965	0.6
141.36218	0.3
143.03499	0.5
145.05083	0.5
149.04512	0.5
159.03110	0.3
161.02475	0.9
161.04573	1.2
191.05571	0.4
209.69917	0.3
209.96146	0.4
403.80066	0.3
423.32712	3.1
439.32123	0.6
453.33716	0.5
455.91534	0.3
469.32718	0.3
471.34848	16.4
525.35889	0.5
557.33179	0.4
567.37250	0.4
585.38068	6.3
603.39056	14.3
713.41833	0.4
731.43921	0.9
749.44910	2.1
765.44537	1.1
911.50323	1.8
1033.16052	0.3
1073.55469	100.0
1074.56287	2.6
1089.96558	0.6
1090.45374	0.5
1109.53101	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	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.52198	0.3
60.23656	0.2
65.56272	0.3
67.01895	5.1
67.09909	0.3
71.09863	0.3
78.95911	100.0
83.01397	2.3
83.01811	0.4
91.44501	0.3
100.76213	0.2
101.65353	0.3
110.89916	1.8
110.98549	2.0
111.00895	7.2
111.02058	0.3
128.86313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01884	19.5
66.24167	0.7
67.01897	30.0
68.02246	1.0
69.54637	3.0
71.01376	1.5
78.95911	100.0
81.03483	1.3
83.01395	53.7
83.05032	3.2
84.01737	0.9
85.00443	1.0
91.32623	0.9
93.03462	1.6
110.97627	1.1
110.98546	2.5
111.00893	57.0
111.02059	2.3
111.04534	1.6
112.01234	3.0
112.04070	1.2
120.09022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.6125
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95746	10.0
80.96519	0.3
95.95251	1.8
96.96023	70.7
109.02975	0.1
110.97594	9.5
112.98813	0.1
119.31982	0.1
121.03024	0.1
122.97604	0.3
123.04620	0.1
133.02908	0.2
134.03746	0.5
135.04535	0.2
150.03294	0.2
161.02426	0.1
179.03429	0.2
179.07184	0.2
180.07910	0.4
190.05539	0.1
191.05688	0.2
194.09416	0.1
208.07449	0.2
211.51341	0.1
221.08403	0.1
223.09825	0.7
226.08345	0.1
253.08920	0.2
254.05708	0.1
259.02670	0.2
260.03577	1.1
265.08810	0.1
269.08240	2.6
273.04391	0.4
275.09283	0.2
281.08209	0.4
283.09811	0.6
285.04224	0.4
291.26602	0.1
295.09677	0.2
296.10577	0.1
297.11545	0.1
299.09314	2.1
300.10095	0.2
301.10785	0.3
307.11835	0.3
309.11386	0.2
310.12103	0.2
311.09338	1.1
311.12646	0.2
313.10889	0.4
314.11639	5.7
315.12494	0.6
326.11627	1.9
327.12027	0.2
329.13965	4.2
341.13895	1.3
359.15097	0.3
379.04831	0.2
390.07877	0.2
393.06308	0.3
394.07285	4.3
395.07547	0.2
406.07571	0.6
408.08740	0.4
409.09662	17.1
421.09674	3.0
424.07983	0.2
439.10709	100.0
440.10931	0.9
504.28366	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	1121.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02937	0.5
89.03963	0.3
90.76337	0.3
93.03477	0.6
96.42870	0.2
101.02526	0.5
108.02155	0.8
109.02966	17.2
112.04445	0.2
117.03474	1.0
119.05011	0.5
121.02977	1.5
126.02748	0.3
129.03468	1.0
130.04199	0.3
131.05022	0.8
133.02979	0.5
134.03746	0.4
135.04555	0.4
137.02458	1.3
145.02965	5.1
145.04982	0.6
146.03760	2.2
147.04532	9.2
151.00435	0.3
151.39690	0.3
153.01898	0.3
157.02962	9.0
158.03754	2.2
159.04533	13.4
161.02477	1.6
163.04021	1.6
166.58388	0.2
169.06537	0.4
173.02425	2.8
174.03198	1.1
175.04021	3.9
179.03493	0.3
182.03824	0.3
183.04510	0.5
185.02451	4.3
186.03253	0.4
187.03999	1.0
191.03435	0.3
193.06616	1.3
193.08052	0.3
196.05331	0.6
197.06036	0.7
201.01947	1.4
201.05688	0.3
202.02719	0.8
203.03497	2.6
209.06068	0.7
211.04013	0.8
211.07684	1.0
213.01964	0.4
220.05313	0.5
221.06104	2.5
222.06923	0.7
223.07744	0.6
224.04749	1.1
225.05623	1.0
227.03523	13.5
228.00644	0.4
229.01431	47.2
230.02057	1.0
232.05304	0.5
233.06197	0.5
237.05569	1.0
238.06374	1.0
239.03516	0.4
239.07205	3.2
240.04318	0.4
241.05045	0.3
245.04544	2.1
248.04849	1.5
249.05571	5.9
250.06317	2.9
251.07109	0.6
252.04373	0.6
253.04967	1.3
255.03009	16.2
256.03696	1.3
260.04663	0.3
264.04486	0.4
265.05042	2.0
266.05817	2.6
267.06635	19.7
269.08221	4.8
269.10910	0.5
276.04263	1.1
277.05093	11.6
278.05768	2.6
279.02869	0.3
280.03772	1.0
284.03299	10.6
285.04065	8.1
285.07288	0.4
292.03763	0.4
293.04575	5.1
293.07608	0.4
294.05350	2.7
295.06146	23.4
311.05710	0.6
313.07236	2.0
321.04102	0.8
327.05194	0.3
339.05106	100.0
340.05463	0.8
347.07828	0.3
355.08301	2.7
355.64828	0.3
357.06027	0.9
385.09348	0.8
399.07230	0.9
415.10336	1.0
429.08289	0.4
457.11511	0.4
459.09247	0.4
467.09995	0.7
473.10953	8.3
481.13589	0.6
493.13541	1.1
496.56918	0.4
501.10571	0.7
519.11792	0.3
537.12793	1.8
582.41913	0.3
602.15918	0.4
603.17261	11.7
603.27100	0.6
647.16223	28.3
648.16888	0.5
783.82733	0.3
1121.28125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.279
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02953	0.7
93.03445	0.9
98.20860	0.2
100.38505	0.3
101.02419	0.4
101.03971	0.3
108.02155	0.9
109.02963	15.8
115.05622	0.3
117.03447	0.9
119.04991	0.6
121.02960	1.8
126.30338	0.3
127.04016	0.5
129.03456	0.9
131.05013	0.9
133.02940	0.5
134.03728	0.3
135.04529	0.5
137.02420	1.3
141.03384	0.3
145.02962	5.4
145.05089	0.5
146.03775	1.8
147.04536	7.8
150.00583	0.3
151.00331	0.4
157.02971	8.5
158.03702	2.0
159.04536	12.6
160.01646	0.4
161.02460	1.8
163.03987	1.2
169.26003	0.3
173.02469	2.6
174.03241	1.1
175.04013	3.6
179.03500	0.4
183.04579	0.6
185.02446	3.8
185.06131	0.4
186.03154	0.7
187.03993	1.3
189.01842	0.4
189.05568	0.3
193.06546	1.2
196.05321	0.8
197.06046	0.9
201.01938	1.2
202.02756	0.9
203.03497	3.2
209.06137	0.5
211.03943	0.5
211.07707	1.3
220.05225	0.7
221.06093	2.8
222.06744	0.4
223.07668	0.6
224.04807	1.5
225.05685	0.9
227.03516	12.9
228.00714	0.4
229.01428	42.2
230.02151	1.0
232.05283	0.5
237.05634	0.9
238.06366	1.3
239.03453	0.5
239.07123	3.2
240.04399	0.4
241.05002	0.7
245.04588	1.6
248.04739	1.6
249.05595	6.6
250.06357	2.7
251.07080	0.9
253.05121	1.4
255.03001	16.1
255.52541	0.3
256.03702	1.1
260.04865	0.4
265.05115	1.8
266.05850	2.4
267.06647	16.5
268.07114	0.4
269.08160	3.9
276.04282	1.4
277.05090	10.8
278.05817	2.2
280.03806	0.7
284.03299	9.9
285.04074	6.6
285.07309	0.4
293.04602	5.6
294.05292	2.5
295.06143	19.6
305.06625	0.4
313.07217	2.2
339.05112	100.0
340.05460	0.8
355.08319	3.3
357.06238	1.1
385.09271	0.6
399.07266	1.0
415.10367	1.4
429.08304	0.4
457.11398	0.3
459.09290	0.4
467.09747	0.8
473.10916	8.1
481.13443	0.3
493.13596	1.0
501.10632	0.4
525.12543	0.3
537.12592	1.3
603.17291	12.3
647.16199	26.8
648.17371	0.5
1121.28198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
78.08070	0.2
81.03439	0.4
83.01400	0.7
83.05039	2.1
85.02969	3.4
87.00896	3.6
87.04520	0.5
89.02454	8.7
93.03462	0.4
95.01387	0.8
95.05022	0.6
97.02951	0.6
99.00894	0.2
99.04512	0.3
101.02459	8.2
111.00867	0.4
111.04542	2.3
112.01646	1.1
113.02463	17.1
115.04033	0.4
119.03511	5.4
123.04537	0.5
125.02482	0.3
131.03522	4.8
133.05069	1.1
137.02444	0.3
139.04048	0.3
143.03462	0.4
155.03494	1.0
161.04533	0.4
165.05545	0.5
179.05672	0.5
233.58887	0.2
275.07791	4.2
277.30316	0.2
290.09360	0.2
293.08826	22.9
317.08737	1.7
389.10886	0.4
569.17297	100.0
570.17621	0.8
585.28009	0.3
773.85449	0.2
1066.89270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.2
57.03454	35.7
66.03488	3.3
67.01900	1.6
68.99573	5.5
69.03461	22.1
70.02989	6.9
70.28977	3.2
71.01376	5.2
75.65941	1.2
83.01405	7.6
84.02169	16.2
85.02959	100.0
86.03283	4.0
89.75748	1.3
95.01403	1.8
95.02505	5.3
96.00909	7.1
97.01709	2.4
103.00099	1.4
112.04072	1.9
113.02457	23.2
113.03585	26.4
114.05614	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30008	2.9
55.01876	19.0
57.03459	35.1
65.60593	3.2
67.01875	3.4
68.99577	82.9
69.03465	100.0
70.03776	3.4
70.80550	5.6
78.78390	3.5
83.01411	6.6
84.02168	20.9
85.02957	92.3
86.03294	4.0
95.01330	4.4
95.65533	3.0
113.02464	17.2
114.05617	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0611
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
50.84494	5.7
50.99895	5.5
53.28775	6.1
55.01872	14.9
57.03465	41.1
58.59684	5.7
67.01899	7.3
68.99565	10.4
69.03456	26.4
69.30344	34.5
71.01396	7.6
72.00919	6.4
83.01406	13.5
84.02162	14.8
85.02960	100.0
95.01435	7.9
98.21866	13.1
113.02435	20.8
113.06100	49.2
114.01950	10.4
114.05627	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.576
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01399	0.9
85.02938	0.9
97.02950	1.8
101.02454	11.0
113.02454	0.8
115.04029	1.4
125.02450	2.9
141.05708	0.6
143.03485	1.9
152.39618	0.6
154.06703	0.6
159.24081	0.6
161.04552	6.6
163.06088	2.4
205.07237	1.1
247.08218	4.1
285.03928	0.9
323.09866	2.2
367.12378	2.6
399.79355	0.6
409.13428	1.1
469.15616	24.6
603.39105	100.0
604.39380	1.4
634.55109	0.7
750.82086	0.8
1073.55701	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	1136.55
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02969	0.7
87.00909	0.5
89.02460	1.2
96.96054	0.3
97.85352	0.3
98.21964	0.3
101.02451	1.8
104.84550	0.3
110.91866	0.3
113.02480	0.9
119.03540	0.4
127.04042	0.3
131.03540	0.5
141.38992	0.3
143.03503	0.4
143.38791	0.3
145.05069	0.4
161.04602	0.6
161.17128	0.3
188.14006	0.3
367.71362	0.3
423.32422	0.5
471.34879	3.3
585.37744	1.4
603.39252	2.4
749.44586	0.6
1073.55481	100.0
1074.56006	2.4
1136.55066	4.5
1173.01465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.354
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03460	0.3
83.01394	0.7
83.05043	2.0
85.02959	3.3
86.61356	0.2
87.00884	3.4
87.04524	0.9
89.02454	8.3
93.03480	0.3
95.01403	1.1
95.05037	0.2
97.02976	0.3
99.00899	0.4
99.04507	0.3
101.02457	9.2
109.02972	0.2
111.00897	0.4
111.04520	3.0
112.01630	1.1
113.02464	19.0
115.04038	0.5
119.03517	4.8
123.04528	0.5
124.37302	0.2
125.02434	0.3
129.01892	0.3
131.02541	0.3
131.03523	4.5
133.05075	1.7
137.02448	0.3
139.03987	0.4
143.03485	0.4
149.04599	0.4
155.03528	1.3
159.02873	0.3
161.04558	0.3
165.05603	0.3
167.03477	0.3
179.05635	0.5
203.05612	0.2
275.07773	5.1
293.08817	24.4
317.08801	2.0
347.10071	0.3
358.12708	0.2
377.11234	0.3
378.76074	0.2
389.10922	0.6
407.11990	0.3
520.86322	0.2
551.16693	0.4
569.17291	100.0
570.18237	1.1
587.14032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0562
Annotation	Proline
Peak:m/z	Relative Intensity
51.68132	0.4
58.16540	0.5
59.01376	0.8
66.03487	3.0
69.55354	2.0
70.02980	1.2
71.01385	11.7
71.05014	1.0
86.02487	2.0
87.00861	0.5
91.41553	0.5
98.21930	0.7
114.05616	100.0
115.00349	0.6
115.05283	0.5
115.05968	4.7
116.60859	0.4
121.96861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10876	1.3
56.63863	1.5
68.79968	1.2
69.03471	5.9
69.33396	6.4
71.01389	74.7
71.05025	100.0
72.01706	1.4
72.05345	3.8
72.29605	1.1
73.62579	1.2
82.51512	1.2
87.00877	1.3
97.02954	13.4
114.93410	2.7
115.00386	5.7
115.04013	30.0
116.07168	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	115.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09595	1.1
69.03462	5.1
70.99937	1.8
71.01387	48.4
71.05025	100.0
72.05360	5.3
73.83337	1.2
97.02961	20.0
114.93420	1.5
115.00407	4.5
115.04025	27.9
115.05962	5.0
116.04334	1.4
116.07172	17.6
121.11504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	5.3
71.05026	100.0
71.19165	1.5
72.05371	3.7
97.02960	17.8
112.70794	0.9
115.04022	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
69.03450	6.4
71.01392	2.6
71.05026	100.0
72.05350	4.0
97.02956	15.8
115.04020	28.5
116.04363	2.0
116.07198	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	115.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04202	1.0
69.03463	4.6
69.10410	3.2
69.10830	3.2
71.05027	100.0
72.05365	3.8
94.10381	1.0
97.02955	16.1
98.22661	1.6
115.04015	24.3
116.02620	1.0
116.04369	1.2
116.07287	0.9
118.24242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	0.8
83.01383	3.0
89.03971	0.9
93.03463	1.3
95.01412	0.5
95.05038	0.8
95.13535	0.3
97.02960	1.4
99.24799	0.3
104.94946	0.3
105.03471	1.0
107.05029	1.7
108.02172	1.1
109.02968	8.1
117.03472	1.3
119.05011	0.5
120.02200	0.7
121.02945	2.0
122.03744	0.8
123.04533	4.9
125.02456	100.0
131.05054	2.3
132.02184	0.8
133.02969	6.4
135.00893	0.5
135.04503	1.8
135.79939	0.3
137.02454	11.4
139.04004	1.1
145.02966	0.7
146.03825	0.6
147.04532	1.3
149.02457	3.0
149.06036	0.9
150.03229	0.6
151.04010	8.8
155.04999	0.7
158.03766	0.7
159.04559	2.6
160.01683	0.6
161.02454	33.6
161.06091	1.3
162.03253	2.2
163.00391	3.6
163.03984	3.5
164.01163	7.0
165.01950	5.8
167.03493	1.8
171.04501	0.7
173.02417	0.6
173.06116	1.7
174.03226	1.4
175.04019	15.7
176.01183	1.2
177.01935	12.0
177.05566	1.5
178.02652	0.4
179.03555	1.8
183.04504	0.8
184.05324	0.4
185.02419	0.6
185.06187	0.6
187.04004	3.7
188.04811	0.9
189.01978	2.0
189.05528	0.6
190.02721	0.9
191.03526	1.4
193.05159	1.1
197.06094	0.7
198.03171	0.5
199.04016	4.7
200.04753	0.6
201.01927	1.2
201.05600	2.7
202.06396	0.6
203.03471	3.1
203.07124	3.0
205.01453	0.6
205.05109	3.0
211.04042	1.2
212.04756	0.8
213.02036	0.4
213.05574	1.5
214.02721	1.1
215.03532	1.3
216.00745	0.4
217.01530	0.7
217.05072	8.9
218.02174	0.4
219.02992	4.2
219.06602	0.6
221.08189	0.4
223.03995	0.4
225.05611	1.4
226.02693	0.4
227.03519	2.6
227.07127	0.8
228.04242	0.9
229.05070	2.7
230.05727	0.4
231.02921	1.6
237.05441	0.4
239.03490	0.7
241.05061	1.3
242.02158	0.6
243.02983	23.1
243.06529	1.9
244.03639	0.4
245.04546	11.4
245.08195	3.8
247.06111	0.5
249.05728	0.4
251.03712	0.3
253.05034	1.5
254.05875	0.4
255.02989	7.3
255.05885	0.5
255.06479	0.4
256.03775	2.4
257.04535	1.8
259.06216	0.5
261.04041	8.1
267.02917	0.9
269.04510	5.0
271.02509	0.7
271.06067	0.4
272.03284	0.4
273.04120	1.9
281.04486	2.1
282.01758	1.6
283.02521	2.5
283.06134	0.6
285.04050	3.6
285.07516	0.6
287.05627	41.7
288.06116	0.4
289.07193	13.4
293.04694	1.2
295.02457	0.9
295.06097	1.1
297.03958	1.1
297.07425	0.4
299.05606	3.3
309.04208	0.6
311.05557	0.8
313.07318	0.4
327.05240	0.8
329.06729	2.2
335.05789	1.1
337.07361	1.0
339.05240	0.5
339.08838	1.3
341.06619	1.6
343.05960	0.5
347.05765	0.5
361.03406	0.8
363.05081	0.8
369.09711	0.5
373.03513	0.6
374.04251	0.7
375.05255	0.7
379.04184	0.4
379.08362	1.1
381.10049	0.8
383.07715	0.6
387.05176	1.2
389.06821	0.5
391.04489	0.8
395.07645	1.2
405.06122	8.1
405.11087	0.6
407.07721	17.6
408.08023	0.5
413.08798	12.5
423.07236	8.4
425.08813	10.8
425.14725	0.4
433.09521	0.4
435.07660	0.8
437.09283	0.4
447.07050	0.4
449.08765	11.8
451.10403	7.1
452.07355	0.8
465.07639	0.5
467.09778	0.6
499.10226	0.4
525.08392	1.3
531.09692	1.2
533.10944	1.5
541.07526	0.6
543.09674	1.5
549.10376	1.4
557.10809	1.1
559.12042	1.2
561.10364	0.4
567.09741	0.6
569.10883	1.0
573.10211	0.5
575.11951	18.7
576.12354	0.5
577.13562	17.5
585.10767	0.9
587.11932	3.0
617.12970	0.7
669.15759	0.5
683.13940	0.7
693.12280	2.0
695.14032	6.7
701.14954	2.2
711.12933	0.7
713.15131	2.1
735.13196	0.4
737.15369	1.1
739.16589	4.5
740.14398	0.4
813.14886	1.4
831.15692	1.7
847.19043	0.7
857.17371	1.0
863.18439	2.4
865.19604	6.5
875.18304	0.8
907.20935	0.5
983.20459	4.4
1001.21759	1.8
1027.24084	1.1
1063.15796	0.5
1135.25171	0.4
1153.26367	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	1155.2773
Annotation	Stachysetin
Peak:m/z	Relative Intensity
83.01391	0.2
85.02966	0.1
89.00332	0.1
93.03455	0.6
95.01417	0.1
97.02946	0.1
101.02430	0.1
105.03471	0.2
107.01389	1.7
111.00868	0.1
111.04441	0.1
113.02457	0.1
115.00393	0.5
116.02668	0.0
117.03465	5.7
119.05038	0.1
121.02932	0.4
123.00894	0.0
123.04463	0.1
125.02442	0.1
130.04274	0.1
131.05049	0.1
132.02118	0.1
133.02969	0.1
135.03661	0.1
135.04498	0.3
137.02412	0.1
139.00400	0.5
141.03493	0.1
143.05037	0.1
145.02936	0.2
145.06599	0.0
147.00861	0.1
148.01587	0.1
149.02443	1.7
150.99155	0.1
151.00365	1.7
154.04303	0.0
155.03748	0.1
155.05017	0.3
157.01311	0.1
157.06572	0.2
158.03693	0.1
159.04521	1.7
161.02446	0.9
161.04485	0.1
167.05083	0.1
169.01302	0.1
169.06612	0.7
171.04521	0.2
173.06009	0.1
177.01994	0.1
180.05832	0.3
181.06596	0.6
182.03717	0.2
183.04518	1.0
183.07990	0.1
185.02489	0.1
195.04509	0.2
196.05275	0.4
197.06096	0.9
199.04016	0.2
200.04620	0.0
201.05621	0.8
203.03571	0.1
205.29971	0.1
209.06078	0.1
210.03503	0.1
210.06856	1.1
211.07646	5.6
212.04716	0.1
212.07935	0.1
213.05591	0.2
224.04762	0.4
225.05569	1.6
227.03455	0.6
235.07594	0.1
237.09332	0.1
239.03456	0.1
240.04431	0.2
241.05168	0.2
257.06793	0.1
259.04593	0.3
265.08710	0.2
267.02997	0.1
268.03778	6.6
269.04541	100.0
270.04913	1.0
281.04608	0.3
283.06238	0.1
291.06815	0.1
307.09750	0.1
309.04251	0.1
309.07755	0.1
311.05603	6.6
327.08807	0.1
351.08832	0.1
353.06720	0.2
403.08582	0.1
413.08774	0.5
431.09824	2.7
453.11453	0.1
471.12863	0.2
484.26389	0.0
485.10947	0.1
511.08759	0.7
513.14008	0.1
521.53699	0.1
527.11401	0.0
529.09863	1.2
555.11938	0.1
569.12988	0.1
571.10846	0.5
577.13470	0.1
613.11920	0.3
615.17017	0.1
655.12964	0.1
673.14130	2.9
674.14087	0.1
697.19110	0.1
723.17151	0.5
741.18414	0.5
783.19177	0.9
825.20618	0.2
867.21368	0.1
885.22479	6.8
886.22180	0.2
943.19659	0.1
1155.27563	1.5
1156.29248	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	116.0508
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.73633	0.4
56.25111	0.4
57.03448	0.8
59.01380	0.9
63.76456	0.5
71.05026	3.8
71.41621	0.5
72.05353	0.5
73.02565	0.9
73.02952	11.8
89.01467	1.6
99.00899	0.8
99.04563	0.5
99.92596	33.5
115.04022	0.4
115.92093	0.8
116.02599	4.2
116.05078	100.0
116.07217	1.7
116.92872	72.6
117.01991	1.6
117.05423	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	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
50.24339	0.3
55.01876	0.9
59.01373	1.1
62.01403	0.4
69.35020	0.7
69.35449	1.1
71.01373	0.8
71.05054	0.4
72.00913	2.9
73.02951	100.0
74.02480	7.2
74.03275	2.6
98.21845	0.7
99.00889	9.2
99.92587	1.2
100.01247	0.4
116.92879	3.0
117.01951	11.3
117.07533	1.0
118.02236	0.4
118.05113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	0.1
83.05035	0.6
85.02957	7.6
87.00881	1.6
89.02462	0.5
90.86664	0.1
93.03466	3.5
95.01397	0.1
97.02934	0.1
99.00884	0.1
99.04520	0.4
101.02451	0.7
105.03503	0.1
108.02169	0.1
109.02965	0.9
111.00880	0.1
111.04523	1.5
112.01652	0.1
113.01716	0.1
113.02464	1.0
115.04005	0.1
119.03499	0.3
123.04524	0.2
125.02474	0.1
127.04025	2.1
129.01945	0.1
131.03542	0.4
133.02971	1.6
134.03676	0.1
135.03506	0.1
135.04553	1.5
137.02470	0.4
143.03493	0.2
153.01811	0.1
155.03529	0.4
161.02454	1.7
161.04579	0.2
167.03560	0.2
171.03015	0.6
173.04559	1.8
174.04900	0.1
177.01976	0.2
179.03526	1.1
179.05621	0.8
191.05624	100.0
192.06010	0.3
215.05594	0.4
216.05919	0.1
275.07755	3.2
293.08807	2.2
293.11331	0.1
317.08838	0.8
335.09778	0.2
347.09897	0.4
351.07254	0.8
352.07492	0.5
353.08792	16.7
365.10925	0.1
377.11032	0.2
395.12018	0.5
437.13177	0.1
455.13962	0.6
500.81754	0.1
551.16217	2.5
555.96033	0.1
569.17291	5.5
570.17859	0.1
593.17175	1.0
605.17914	0.2
611.18506	0.2
623.18726	0.5
641.18646	0.3
653.19531	0.2
671.20282	0.3
1142.31128	0.1
1207.78784	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	119.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62166	1.7
56.61683	1.7
59.01385	43.7
61.25567	1.8
63.15282	2.0
65.56276	1.8
71.01406	14.3
71.05058	2.2
72.99317	3.7
73.02943	3.1
74.47604	1.9
77.84679	1.9
91.03052	1.9
92.05061	2.5
93.03474	5.5
101.03928	2.4
101.92439	6.4
102.30585	1.8
112.65780	1.7
113.28857	1.8
118.92645	17.0
118.93430	2.9
118.96552	5.1
119.02570	16.7
119.03378	3.9
119.05045	100.0
120.02062	3.0
120.04588	3.1
120.05391	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	119.0351
Annotation	3,4-Dihydroxybutanoic acid
Peak:m/z	Relative Intensity
51.51778	1.3
51.68628	1.3
54.68580	1.4
55.01875	3.1
58.00576	2.4
59.01384	100.0
60.01723	2.5
61.76295	1.4
70.37116	1.7
71.01386	37.7
71.38402	1.6
72.99297	5.6
83.01388	2.9
89.02453	4.7
97.51101	1.4
101.02443	3.5
107.10345	1.6
119.03544	2.8
119.05037	4.7
128.98134	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	119.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12557	0.8
55.01881	1.7
59.01385	54.6
71.01390	17.3
71.43067	1.0
72.99304	5.9
73.02963	2.8
75.00875	3.8
83.01421	1.1
89.02475	1.4
91.05553	1.4
93.03467	4.4
98.45467	0.8
101.02433	1.6
101.92444	2.1
118.92719	2.6
118.96573	1.2
119.02518	2.8
119.03526	4.4
119.05039	100.0
119.63798	0.9
120.05371	6.3
125.17266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	59.5
61.98828	9.4
64.19112	2.9
65.23233	2.7
69.18502	8.2
69.18929	10.8
71.01392	26.0
72.97244	4.2
72.99328	3.8
75.00878	3.8
76.25377	3.0
91.03037	3.8
93.03445	6.0
98.21885	5.0
101.92441	10.8
111.11905	2.8
118.91978	3.1
118.92651	19.4
118.93445	3.1
118.94192	5.3
118.96583	9.0
119.02549	31.7
119.03524	7.9
119.05042	100.0
120.02065	3.2
120.04566	4.7
120.05386	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	119.0504
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.33316	0.5
56.50045	0.5
59.01391	3.2
61.98811	0.5
70.79330	1.1
71.01384	1.4
72.97217	0.6
72.99313	0.6
73.02964	0.7
73.26922	0.6
75.00880	0.7
76.37998	0.6
77.61571	0.6
91.03056	0.8
91.05529	1.7
92.05076	0.8
93.03459	4.0
101.92426	2.3
117.03467	1.3
118.92641	4.8
118.93430	0.7
118.96566	2.6
119.02597	5.5
119.05035	100.0
120.02091	0.8
120.04560	1.4
120.05340	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	119.0504
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
55.01841	0.6
55.32901	0.5
57.03447	0.5
59.01386	16.6
62.45831	0.4
70.56129	0.9
71.01391	7.2
71.05017	0.8
72.99316	6.3
73.02954	2.3
74.02480	0.5
75.00874	5.4
80.01323	0.4
87.55998	0.4
89.02445	0.6
91.03056	0.5
91.05534	1.2
93.03473	4.7
101.02490	0.7
101.92446	2.3
101.93004	0.5
108.03111	0.5
117.03485	0.6
118.92640	4.5
118.93438	0.8
118.96578	1.2
119.02537	2.9
119.03540	7.5
119.05041	100.0
120.03828	0.5
120.04582	0.6
120.05384	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	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01399	1.6
70.04792	2.3
93.03474	5.9
101.09502	1.0
101.92446	1.6
118.92664	2.5
118.96525	1.2
119.02527	3.0
119.05042	100.0
120.05362	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
53.05588	0.5
57.54532	0.5
59.01373	0.6
61.66767	0.6
64.25867	0.5
69.19300	3.4
81.59172	0.6
87.67493	0.6
91.05559	1.2
93.03484	5.9
98.22664	0.8
98.45554	0.6
103.40668	0.5
107.72565	0.6
110.07715	0.6
117.03489	1.6
119.05045	100.0
120.05367	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	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01384	6.5
59.13252	0.9
64.78551	1.0
69.55851	2.2
69.56239	2.8
70.02956	1.3
71.01395	2.3
72.99306	1.4
82.88342	1.3
91.05536	4.9
93.03445	2.1
93.23306	1.1
98.21804	1.0
101.03981	41.0
101.92433	2.9
102.04318	2.4
107.90996	1.1
117.02660	1.7
117.03487	26.2
118.03820	1.3
118.92650	8.1
118.96555	3.5
119.02584	10.1
119.03342	2.4
119.05044	100.0
120.02093	1.2
120.04604	2.0
120.05390	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	119.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31761	0.6
69.62909	0.6
69.95182	1.3
69.95544	1.3
91.05534	1.5
93.03477	3.6
99.61264	0.6
117.03448	1.3
118.92712	1.3
119.05043	100.0
120.05374	6.5
139.37764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
63.29750	0.4
63.45740	0.4
71.80498	0.5
80.81931	0.4
91.05552	1.2
93.03470	4.9
116.79836	0.5
117.03498	0.5
118.29698	0.5
118.92686	0.9
119.05044	100.0
120.05385	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	121.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79960	1.4
57.27101	1.4
66.03481	3.4
70.31981	1.7
70.32293	2.5
70.91646	1.5
91.73125	1.2
92.02708	1.9
93.03468	9.0
94.03009	14.4
96.74034	1.3
116.03806	1.5
121.02972	100.0
122.02493	14.2
122.03323	6.3
138.97766	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	121.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74249	0.4
65.03960	1.2
65.68327	0.3
66.03494	0.9
67.01897	1.0
70.00231	0.9
71.35001	0.3
72.36256	0.3
77.03937	0.4
79.01910	0.8
91.01904	0.7
92.02698	2.8
93.03470	11.9
94.03001	1.8
95.01405	0.3
98.22020	0.6
108.02192	1.3
120.02167	1.3
121.02969	100.0
122.02477	1.5
122.03311	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	125.0246
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.52803	0.7
57.03453	100.0
58.03780	2.5
62.96413	1.1
66.66548	0.8
67.03844	1.2
69.03463	1.5
70.48621	1.1
70.48950	1.1
76.64323	0.8
76.95116	0.8
81.03463	3.9
83.01395	14.0
84.41803	0.7
95.03362	1.5
97.02934	1.4
125.02459	59.9
125.04423	1.9
125.06074	2.0
126.02800	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	125.0246
Annotation	Phloroglucinol
Peak:m/z	Relative Intensity
57.03452	100.0
58.03791	3.2
69.03475	1.2
69.09414	4.2
81.03468	1.1
83.01395	2.3
96.99314	0.7
98.21909	1.4
112.64185	0.5
120.03527	0.6
125.02459	59.1
126.02817	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	128.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80996	1.1
55.01876	3.2
57.03464	5.5
59.17347	1.1
62.46754	1.1
67.01883	11.2
68.99834	2.0
70.96923	2.1
71.01405	1.1
72.99316	1.6
79.68941	1.3
82.02995	4.6
84.04553	1.3
85.02967	8.0
128.03554	100.0
128.90143	1.9
129.01956	4.2
129.03877	4.9
130.96373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0355
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
55.01866	1.7
57.03442	2.3
67.01878	3.7
68.99827	1.4
69.13346	6.4
71.01373	1.4
82.02985	3.5
85.02952	14.5
90.31718	0.8
101.02448	3.9
112.23864	0.9
128.03552	100.0
129.01973	5.9
129.03931	5.7
133.59827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
51.13421	4.3
51.99266	4.4
53.93312	4.1
55.01884	17.0
57.03458	46.7
58.02980	4.6
67.01898	100.0
68.99834	10.1
69.51031	11.2
69.51424	8.8
71.01395	12.8
71.80920	5.4
72.99310	8.7
73.02952	10.0
83.01395	6.3
85.02956	67.5
88.04062	10.0
98.21940	9.8
99.00874	6.4
101.02436	6.9
111.04607	4.6
128.90161	13.7
129.01964	33.4
129.03891	18.3
130.08725	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	129.0196
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01875	22.1
55.03217	6.0
57.03462	50.9
61.93500	5.5
67.01898	100.0
68.99802	14.3
70.30385	12.5
70.30737	6.2
71.01385	6.6
72.99316	13.0
73.02954	8.0
85.02963	79.6
87.00893	10.6
88.04050	16.5
89.46871	6.5
95.65881	6.0
101.02430	16.1
111.00830	6.8
117.24739	5.3
128.90167	7.3
129.01962	39.2
129.03899	17.9
129.73621	6.4
130.04080	5.7
130.08759	35.2
139.03444	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
50.51525	4.6
55.01872	16.8
57.03451	53.1
61.82336	4.2
67.01895	100.0
68.99815	8.7
70.53339	6.5
71.01387	8.1
72.99267	5.0
73.02950	4.4
75.11826	3.9
76.07498	3.6
81.19534	3.7
83.01366	5.4
85.02959	23.8
88.04015	6.0
114.23416	4.1
129.01936	23.3
130.08723	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	129.0561
Annotation	beta-Ketoisocaproic acid
Peak:m/z	Relative Intensity
55.01878	27.5
57.03455	13.1
57.46215	6.5
58.02992	9.3
58.95374	5.7
59.01371	6.6
67.01905	12.4
68.99821	9.7
71.01410	10.2
71.44912	5.6
72.99312	10.7
73.02960	20.3
75.09725	5.4
83.01407	8.8
85.02968	33.4
85.06594	100.0
86.06132	12.9
87.00898	12.4
88.04032	35.9
99.00937	9.5
101.02452	12.7
111.00890	16.8
112.04069	9.2
112.90720	8.7
118.29121	6.3
128.90179	89.7
129.01944	25.9
129.03906	9.9
129.05615	11.9
129.09238	6.7
130.08759	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0875
Annotation	Isoleucine
Peak:m/z	Relative Intensity
57.03457	13.7
58.00600	1.9
59.01376	2.7
60.56457	0.8
64.21043	0.9
69.03459	7.0
69.70226	0.9
70.47930	1.6
70.85775	1.0
71.01385	1.7
82.06628	1.0
84.08186	1.8
85.02944	6.5
87.04512	5.8
100.47044	0.9
110.88905	1.0
113.02439	2.9
115.26022	0.8
130.08751	100.0
131.03513	4.7
131.09109	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	130.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03177	1.3
57.03450	25.6
58.00599	2.5
59.01384	100.0
60.01705	2.0
68.99805	2.5
69.03465	12.2
69.21349	4.3
69.21755	2.3
70.69515	1.0
71.01376	3.4
72.99313	5.5
73.02955	4.6
75.00884	1.3
85.02953	20.3
85.06581	5.0
87.00901	1.8
87.04518	23.8
88.04034	2.2
88.04849	1.1
111.90491	1.0
113.02429	6.4
114.01957	1.7
123.96925	0.9
125.28837	0.9
131.03549	9.3
131.05005	2.1
131.07124	2.7
132.04591	2.2
148.32353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98235	0.9
52.25714	1.0
56.20832	0.9
57.03452	14.2
57.44082	1.1
58.00601	3.3
59.01382	100.0
60.01706	1.6
69.03461	4.8
69.95470	2.6
71.01385	2.1
71.72733	0.9
72.99300	4.3
73.02928	3.4
85.02959	13.5
85.06580	1.9
87.00893	1.7
87.04517	8.4
98.22576	1.7
113.02493	2.5
114.01942	1.0
131.03551	5.9
132.04678	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	131.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48643	1.6
55.01893	1.7
57.03454	100.0
58.00595	13.7
58.03803	2.1
59.01390	11.3
59.05014	3.6
64.86772	1.5
69.03455	37.9
70.03780	2.4
71.01398	8.6
76.77755	1.5
83.01407	2.2
85.02959	34.9
87.04524	30.6
98.22626	4.3
113.02452	12.1
124.08033	1.5
131.03517	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	131.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
57.03455	100.0
58.00605	14.4
58.03783	2.2
59.01386	10.4
59.05036	2.5
60.29029	1.1
61.76744	1.4
61.88346	1.2
69.03464	37.0
71.01373	11.9
83.01401	2.2
85.02960	32.9
86.03300	1.6
87.04523	32.0
88.04048	3.1
95.01434	1.7
98.13190	1.2
105.46834	1.2
113.02459	14.4
114.02026	2.6
125.15012	1.2
131.03520	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02796	0.7
57.03174	1.2
57.03455	23.0
58.00592	2.5
59.01386	3.7
68.99812	0.9
69.03461	21.1
71.01391	3.2
73.02966	2.1
80.83028	0.8
85.02959	11.5
85.06598	100.0
86.06936	3.8
87.04522	12.2
93.87579	0.7
100.22838	0.7
113.02439	4.5
113.06099	1.7
113.23836	0.7
129.05595	1.3
131.03525	7.5
131.07153	36.6
132.04637	0.8
132.07481	1.7
137.46556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02796	0.7
57.03174	1.2
57.03455	23.0
58.00592	2.5
59.01386	3.7
68.99812	0.9
69.03461	21.1
71.01391	3.2
73.02966	2.1
80.83028	0.8
85.02959	11.5
85.06598	100.0
86.06936	3.8
87.04522	12.2
93.87579	0.7
100.22838	0.7
113.02439	4.5
113.06099	1.7
113.23836	0.7
129.05595	1.3
131.03525	7.5
131.07153	36.6
132.04637	0.8
132.07481	1.7
137.46556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0716
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
55.02796	0.7
57.03174	1.2
57.03455	23.0
58.00592	2.5
59.01386	3.7
68.99812	0.9
69.03461	21.1
71.01391	3.2
73.02966	2.1
80.83028	0.8
85.02959	11.5
85.06598	100.0
86.06936	3.8
87.04522	12.2
93.87579	0.7
100.22838	0.7
113.02439	4.5
113.06099	1.7
113.23836	0.7
129.05595	1.3
131.03525	7.5
131.07153	36.6
132.04637	0.8
132.07481	1.7
137.46556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0306
Annotation	L-Aspartate
Peak:m/z	Relative Intensity
53.83299	0.1
57.03452	0.1
59.01384	1.7
67.93712	0.1
70.02990	0.4
71.01385	80.5
71.41577	0.1
72.00915	1.2
72.01733	0.2
72.99313	17.1
87.00882	1.3
87.04534	0.1
88.04047	36.5
89.02448	7.7
89.03613	0.3
89.04368	1.0
114.01971	1.5
115.00381	100.0
116.00732	0.3
123.50454	0.1
125.66313	0.1
126.38908	0.1
132.03038	7.6
132.11470	0.1
133.01440	18.7
144.45726	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	132.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93749	2.3
59.01385	4.4
69.65131	9.0
71.01389	89.5
72.34829	2.5
72.99303	17.9
87.04554	4.0
88.04103	2.8
89.02450	11.5
98.21935	4.3
114.99564	5.2
115.00385	100.0
132.04558	27.1
132.86803	81.5
132.90002	4.0
133.01459	19.6
133.02956	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	132.0457
Annotation	2-Methylbenzoxazole
Peak:m/z	Relative Intensity
57.03423	5.6
69.36913	32.5
71.01389	81.7
72.99301	21.7
77.64668	4.9
87.00872	7.4
87.04519	10.3
88.04868	7.2
89.02438	10.2
98.21856	11.8
115.00385	100.0
132.04561	48.5
132.86786	20.6
132.89989	8.6
133.01427	16.0
133.02972	7.7
133.05067	10.3
135.04575	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	132.0457
Annotation	p-Tolyl isocyanate
Peak:m/z	Relative Intensity
51.00755	4.8
59.01371	6.1
69.87674	9.9
71.01382	84.4
72.99320	20.0
89.02436	8.5
97.34167	5.3
105.03521	6.0
115.00383	100.0
132.04576	52.9
132.86804	67.0
132.90054	9.6
133.01392	18.4
133.02914	5.5
133.05060	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21415	1.0
59.01384	2.4
70.22474	1.9
71.01389	95.3
72.01732	1.9
72.99318	22.9
83.09955	1.0
89.02464	8.6
115.00386	100.0
116.00724	4.9
133.01456	20.5
134.01785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
51.06635	0.7
52.40615	1.0
59.01379	1.5
70.79564	1.4
71.01388	86.6
72.01714	2.5
72.99314	21.8
72.99708	1.7
79.73161	0.9
87.00929	2.1
89.02444	9.4
115.00385	100.0
116.00731	3.8
133.01445	18.1
150.96664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
62.13800	0.8
70.95958	1.1
71.01389	81.3
72.01721	2.0
72.99315	16.1
79.69462	0.9
87.00899	1.7
87.04540	1.1
89.02452	8.5
104.69668	0.9
115.00385	100.0
116.00742	3.6
116.33891	0.8
122.90512	0.8
133.01443	17.3
134.01756	0.9
136.94522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63863	0.8
54.54987	0.8
55.48248	0.8
59.01388	1.5
65.61396	0.9
70.11136	2.1
71.01388	92.9
72.01723	2.5
72.99314	21.8
87.00904	1.3
89.02438	10.1
100.24730	0.8
104.27760	0.8
115.00385	100.0
116.00712	3.2
133.01433	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
52.12306	0.6
53.44301	0.6
59.01383	2.2
69.35612	3.0
70.93933	0.6
71.01387	84.4
72.01730	2.2
72.99310	18.7
75.95287	0.6
77.03982	2.9
79.45102	0.8
87.00904	1.5
87.04536	0.8
89.02448	8.6
95.05022	3.4
101.25727	0.7
105.03468	7.8
107.03635	1.5
115.00385	100.0
116.00719	3.7
132.02196	1.7
132.86804	6.1
132.90042	4.3
133.01454	19.5
133.02959	9.6
133.05070	1.2
134.02544	1.2
134.03787	0.9
134.04727	3.1
138.20071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.42878	1.2
59.01371	2.8
65.00314	2.8
71.01387	97.5
72.01713	2.7
72.99315	22.2
74.73184	1.2
77.03982	17.3
84.38370	1.0
87.00874	2.7
87.04493	2.8
89.02457	9.8
89.03986	4.8
92.02577	1.9
95.05041	25.1
105.03468	48.7
106.03771	2.2
107.03651	5.2
115.00382	100.0
116.00697	3.2
123.04539	5.3
132.02187	13.2
132.86803	22.3
132.90048	10.9
133.01482	20.0
133.02974	64.6
133.03999	3.1
133.05090	3.7
134.02481	3.5
134.03714	15.2
134.04768	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	133.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.0
55.42138	0.9
56.79044	1.0
58.30908	0.9
59.01368	1.1
62.40399	0.9
65.00324	1.9
70.55053	1.9
71.01389	38.5
72.99316	7.6
74.31171	1.0
77.03974	18.0
79.19365	0.9
85.92513	1.0
87.00874	1.8
87.04516	1.5
89.02467	4.7
89.03977	5.4
95.05034	27.3
105.03470	52.3
106.03805	4.4
107.03660	4.4
115.00385	44.9
116.00697	2.0
116.46747	1.0
121.02982	3.0
123.04540	5.0
132.02190	13.4
132.86800	10.2
132.90062	8.2
133.01538	7.1
133.02971	100.0
133.05055	2.9
134.02458	2.4
134.03328	8.1
134.04715	10.5
154.84793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42305	1.1
51.02398	1.3
57.62239	1.2
65.00322	4.6
69.63779	3.8
71.01389	57.0
72.01730	2.5
72.99321	13.3
73.64367	1.2
77.03979	24.2
87.04517	2.2
89.02455	5.4
89.03970	6.8
90.04984	1.3
94.89358	1.4
95.05036	30.7
96.05379	1.4
104.02705	1.8
105.03474	65.3
106.03801	5.8
107.03651	1.5
115.00387	63.4
115.09839	1.1
116.00726	2.8
121.02976	3.4
123.04524	5.8
124.23425	1.3
132.02194	15.0
133.01534	11.4
133.02975	100.0
134.02455	1.9
134.03282	8.0
134.04767	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	134.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61543	0.2
58.52113	0.2
58.72197	0.2
59.01373	0.3
65.01447	1.1
68.02544	0.6
69.95431	0.7
69.95779	0.3
71.01396	0.4
72.01731	1.0
75.00879	1.4
79.39352	0.3
80.02573	0.5
92.02553	10.2
98.21813	0.3
107.03647	38.5
108.03341	0.4
108.03996	1.1
114.25175	0.2
116.00731	0.8
128.51993	0.3
134.04739	100.0
135.03014	0.3
135.04417	2.1
135.05127	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	134.0475
Annotation	Adenine
Peak:m/z	Relative Intensity
50.04858	0.4
58.97840	0.4
65.01447	1.2
68.02549	0.9
70.03969	1.2
70.04335	0.9
80.02544	0.5
91.09881	0.4
92.02548	9.6
96.41113	0.6
107.03646	40.7
108.04025	0.8
117.74776	0.4
120.58186	0.4
134.04738	100.0
135.05237	4.1
146.02087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.009
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	1.0
65.00332	9.9
67.01868	0.9
69.37773	1.7
69.53737	0.4
86.59162	0.4
91.01902	100.0
91.14241	0.3
92.02238	6.0
99.92591	3.2
107.01389	1.4
108.04556	0.5
134.03745	0.6
134.86571	5.5
134.89487	32.8
135.00903	6.9
135.04521	3.8
135.44258	0.4
135.89488	2.4
136.01253	0.4
136.04021	0.6
153.01942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0302
Annotation	Threonate
Peak:m/z	Relative Intensity
51.74025	0.3
55.01883	0.7
59.01383	12.3
70.75928	0.4
71.01389	9.2
72.01733	0.7
72.98900	0.6
72.99313	12.3
73.01803	3.3
73.02134	0.3
73.02964	0.3
74.99763	1.6
75.00878	100.0
76.01208	1.7
87.00887	5.8
89.02457	5.2
91.02886	0.7
115.00376	1.8
117.00828	8.4
117.01945	2.9
118.01157	0.3
124.41621	0.3
125.02685	0.3
134.03688	0.4
134.86517	0.4
134.91586	0.5
135.01884	2.2
135.03003	21.9
136.03308	0.9
147.75943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
59.01387	12.0
62.92852	0.5
69.50027	1.2
69.50407	1.3
71.01388	5.0
72.99317	11.0
73.01833	1.0
75.00881	100.0
76.01218	1.7
87.00886	3.2
89.02463	3.5
91.70785	0.4
117.00852	1.7
117.01935	4.0
134.03764	0.7
135.03015	21.9
135.04492	4.5
135.05394	0.6
136.20097	0.6
142.84882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22699	0.6
52.59704	0.5
55.85312	0.6
57.82602	0.6
59.04261	0.6
65.27889	0.6
67.71815	0.6
69.61131	1.5
89.03979	1.2
91.05536	1.0
93.03465	1.0
99.92599	0.9
106.04290	0.7
107.05045	5.8
117.03472	2.1
134.03755	20.5
134.89485	4.7
135.04541	100.0
135.89426	0.6
136.04884	6.5
140.80676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0168
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
60.84671	1.0
67.01894	1.4
69.03461	1.8
69.41165	5.2
74.99082	2.9
81.03465	2.4
83.01408	1.1
92.02698	13.0
92.05061	9.2
93.03468	61.3
94.02983	2.3
95.01410	9.6
95.02532	1.2
97.02969	1.8
99.07038	1.4
99.92590	1.3
107.05029	1.2
108.02181	100.0
108.04566	2.4
109.02957	6.2
123.00836	1.3
125.20313	1.2
127.15796	1.1
135.89482	8.5
136.01672	93.4
136.03973	4.4
136.04906	5.8
136.86307	4.5
136.89192	14.7
137.02473	72.1
137.03458	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	137.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	0.9
65.57482	0.6
67.01886	1.1
68.23319	0.6
69.03461	35.3
69.05363	2.0
69.05769	2.6
69.45961	0.6
70.03786	1.2
74.99070	1.4
76.53994	0.6
83.01392	100.0
84.01733	4.1
91.85040	0.6
93.03472	16.9
94.03793	1.2
98.21871	1.0
109.02962	33.4
110.03330	1.8
136.86229	0.6
137.02455	92.3
138.02806	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	137.0247
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
57.18949	0.4
62.34813	0.4
64.20204	0.4
65.03966	1.3
69.55931	0.7
69.56329	1.1
81.03462	2.5
91.01889	0.9
92.02729	0.4
93.03467	100.0
94.03806	6.0
105.40760	0.4
108.02190	5.1
109.02982	3.4
115.64588	0.4
119.01381	1.3
136.00717	0.7
136.01686	8.4
136.86363	1.0
136.89178	6.4
137.02460	74.1
138.01917	0.9
138.02800	3.5
138.05637	0.8
145.85175	0.4
147.00966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	4-Hydroxybenzoate
Peak:m/z	Relative Intensity
64.88506	0.8
65.00328	1.7
65.03971	8.6
67.01899	4.2
69.31623	2.4
69.32031	2.0
91.01902	66.2
92.02238	4.6
93.03466	59.7
93.03936	1.1
94.03793	2.8
95.01382	2.1
105.40056	0.8
108.02153	1.3
109.02964	24.7
110.03310	1.4
135.00896	75.9
136.01204	4.2
136.89198	2.2
137.02455	100.0
138.02818	5.6
153.01953	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	137.0246
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
65.03958	1.0
67.01900	0.4
69.55502	0.6
69.55870	1.1
74.99094	0.9
81.03451	0.5
91.01904	0.5
93.03467	100.0
94.02979	0.6
94.03809	5.5
103.68256	0.3
108.02181	3.5
108.04630	0.3
109.02985	2.0
123.00906	2.1
123.03285	1.1
136.01659	2.1
136.86298	5.4
136.87280	0.5
136.89203	1.1
137.02461	21.9
137.06017	0.4
138.01970	3.1
138.02866	1.0
138.05609	1.2
138.70828	0.3
140.83685	0.3
142.43040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72242	0.4
65.03968	1.4
69.22858	2.0
77.28091	0.4
81.03468	4.8
91.01916	1.0
93.03470	64.4
94.03809	3.9
108.02186	8.1
109.02992	4.2
113.81084	0.4
119.01369	1.8
123.03261	0.5
136.01682	13.5
136.89186	3.3
137.02463	100.0
138.02809	6.7
138.05644	0.5
140.20522	0.4
144.48648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.57300	0.4
65.99831	0.4
70.96897	0.5
72.48231	0.3
78.28241	0.4
92.02695	1.5
92.98600	0.4
95.01403	0.4
108.02184	72.7
109.02504	3.6
110.02502	0.4
111.00907	0.8
132.31813	0.4
137.89186	1.7
138.01982	100.0
139.02330	4.9
139.04021	0.4
155.75677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0562
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
57.30045	1.1
67.01904	1.4
76.11837	0.9
77.58024	1.3
93.03456	5.8
94.02989	1.0
94.03090	1.2
94.03801	25.0
95.05051	4.7
95.92760	1.0
108.02162	7.7
110.06120	1.4
111.00891	2.1
116.07449	1.0
120.04555	2.0
123.03275	100.0
124.03604	6.0
128.14409	1.0
137.89240	1.2
138.01971	11.5
138.02843	4.7
138.05623	56.8
139.00224	0.9
139.05998	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	138.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30045	1.1
67.01904	1.4
76.11837	0.9
77.58024	1.3
93.03456	5.8
94.02989	1.0
94.03090	1.2
94.03801	25.0
95.05051	4.7
95.92760	1.0
108.02162	7.7
110.06120	1.4
111.00891	2.1
116.07449	1.0
120.04555	2.0
123.03275	100.0
124.03604	6.0
128.14409	1.0
137.89240	1.2
138.01971	11.5
138.02843	4.7
138.05623	56.8
139.00224	0.9
139.05998	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	139.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.1
63.24767	2.7
66.91895	2.3
67.01897	37.1
67.03011	2.7
69.03465	96.4
70.70644	3.6
73.08118	2.3
78.95920	4.4
80.02695	5.4
83.01381	6.6
83.05037	39.6
88.29572	2.3
93.03474	26.2
94.03825	2.8
95.01395	29.6
95.05039	36.4
96.02183	7.8
96.04558	3.0
96.05470	2.6
96.96023	16.5
97.02357	5.2
97.02964	100.0
98.02530	2.9
99.61550	2.4
111.00888	29.0
111.04531	90.2
112.04104	3.0
112.04873	7.3
121.02975	8.7
122.02519	2.5
124.01633	5.9
138.86041	2.9
139.00423	11.4
139.01434	3.1
139.04031	59.1
139.05049	3.4
140.03529	8.3
140.04468	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66725	2.3
53.00310	26.6
59.01389	15.2
68.99828	8.1
69.03490	2.8
69.53394	8.3
71.01389	51.7
72.03987	3.0
72.99312	4.8
73.02966	3.3
80.99828	9.5
85.02964	9.1
87.00886	17.3
96.99329	34.8
99.04533	3.2
102.05643	3.2
112.98826	44.2
115.00401	5.7
124.98819	88.7
125.02517	3.6
140.98326	11.8
142.99881	100.0
144.00198	7.1
144.06699	9.0
161.71449	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99348	2.2
53.00315	34.0
59.01367	15.7
68.99829	8.4
70.07403	4.7
70.07751	3.1
71.01391	55.2
72.99318	4.8
74.06746	2.1
74.35365	2.2
80.99818	9.3
87.00874	16.8
96.99314	37.7
107.00629	2.4
112.98815	46.3
115.00370	8.0
124.98811	95.8
125.99123	3.9
140.98328	13.6
142.99873	100.0
143.03603	3.2
144.00232	3.9
144.74594	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	143.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	10.8
55.01881	9.6
57.03452	11.0
59.01378	23.8
63.26195	5.7
69.03464	60.0
69.92016	4.4
71.01388	100.0
72.99327	23.3
73.02946	17.6
81.03445	7.8
83.01384	13.0
85.02965	85.5
87.00879	66.3
96.99303	10.1
97.02965	24.8
99.04521	8.9
101.02445	14.5
112.98825	15.1
124.98813	23.7
125.02513	9.9
142.99911	27.8
143.02454	6.5
143.03488	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	144.0449
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
58.02964	0.7
69.56618	2.5
71.01387	1.3
72.20325	0.7
73.15430	0.5
81.03484	0.6
83.05018	1.3
87.00880	0.6
92.05621	0.7
98.22655	1.1
99.08134	0.7
100.07736	0.6
101.06092	2.3
102.05602	1.1
116.05066	11.4
141.07135	0.7
144.04568	100.0
144.06650	4.3
144.10312	1.9
145.03047	0.8
145.04982	7.1
160.76888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0458
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
57.12094	0.3
59.01363	0.3
69.76917	0.3
69.77241	0.7
71.01385	0.8
83.01419	0.4
83.05042	0.5
87.00870	0.7
98.22620	0.3
99.92534	0.3
100.07682	0.3
101.06098	1.0
102.05626	0.4
102.26592	0.3
111.57492	0.3
115.00405	0.4
116.05084	2.6
117.03485	1.0
126.03535	1.3
142.02972	0.4
144.04565	100.0
145.01479	0.3
145.04947	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
53.45485	0.2
58.45198	0.2
61.98845	0.3
65.99856	0.3
81.03461	0.4
83.05048	0.3
99.08142	0.4
101.06094	0.5
102.60767	0.2
116.05058	2.7
117.03480	0.8
126.03519	1.6
142.02997	0.8
144.04567	100.0
145.03011	0.4
145.04933	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	144.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72134	2.0
58.02978	41.3
59.01394	4.6
63.97873	1.7
71.01387	9.1
74.02461	2.0
83.05036	3.7
83.85398	1.8
84.04557	8.1
87.00892	4.7
98.06136	5.9
100.07697	66.2
101.02438	4.4
101.08033	3.2
102.05621	100.0
103.05952	3.8
109.04092	3.8
115.00354	4.8
117.04588	2.9
126.05624	13.9
127.05154	4.7
142.05130	4.3
144.04581	31.2
144.06683	45.7
145.01447	3.2
145.02963	4.5
145.04062	23.9
145.05106	2.7
145.06070	3.0
145.09799	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	145.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01903	0.8
57.82646	0.8
58.02965	3.2
58.60540	0.8
59.01382	5.5
70.02950	1.0
70.99948	1.1
71.01390	11.2
71.05019	1.7
72.00912	1.7
72.99319	2.7
73.02975	1.1
74.02478	6.7
82.02985	2.9
83.01405	3.2
84.04558	9.4
84.99305	2.4
85.02985	2.2
86.02486	2.0
87.00896	6.1
98.02502	1.1
99.00895	1.1
99.05647	1.1
100.04038	2.4
100.93338	1.0
101.02456	18.9
101.07201	3.0
102.05621	100.0
104.03545	1.3
109.04068	6.1
109.35504	1.1
115.00391	6.2
117.03480	1.5
118.03004	6.3
125.03570	2.5
127.00423	2.5
127.05161	12.4
128.02585	2.0
128.03555	40.9
144.81013	0.9
144.96497	5.3
145.00359	1.6
145.01437	14.2
145.05072	1.6
145.06192	6.7
145.07193	1.3
146.02525	14.5
146.04594	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	145.0144
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
58.02966	2.9
59.01372	5.8
71.01385	7.0
74.02480	10.1
83.01392	6.2
84.04548	14.2
84.99326	12.7
87.00903	3.7
94.74356	3.0
100.04097	3.4
101.02451	64.0
101.07254	4.6
102.05619	100.0
109.04076	9.8
112.98893	3.9
115.00332	6.6
127.05122	11.4
128.03551	42.1
128.05429	3.9
145.01430	46.3
145.05025	4.7
145.06094	4.2
146.04601	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	145.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	3.4
59.01390	5.3
60.46600	1.0
63.01677	0.9
70.20655	3.0
71.01388	12.1
71.05026	1.2
72.99324	2.8
73.02946	1.4
74.02477	6.2
82.02995	2.3
83.01402	5.5
84.04550	9.3
84.99319	3.0
85.02948	1.6
86.02494	1.1
86.45148	1.2
87.00861	7.0
98.21930	1.7
99.00880	1.5
100.04075	1.9
100.07718	1.1
101.02451	17.2
101.06104	1.3
101.07207	3.8
101.07861	1.0
102.05618	100.0
109.04065	7.3
115.00386	4.4
117.03458	3.8
118.02995	5.8
125.03570	3.0
127.00348	2.0
127.05145	13.6
128.03558	40.9
129.08153	1.1
133.00060	1.4
138.18939	1.0
144.96504	4.5
145.01451	13.8
145.05083	2.1
145.06139	6.1
145.09795	1.2
146.02510	14.2
146.04573	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	145.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	13.3
63.80816	2.9
67.03010	7.9
70.02966	3.3
72.00907	8.5
74.02488	29.2
82.02989	13.4
83.93015	3.0
84.04556	53.4
86.02472	6.7
90.14773	3.7
97.04060	3.5
98.02512	3.5
99.05629	8.8
101.07207	18.9
102.05623	89.8
107.02537	6.0
109.04086	55.2
110.04462	3.9
125.03561	12.0
127.05151	100.0
128.03551	64.5
128.05505	5.0
131.14113	3.2
145.06216	44.9
146.04607	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	145.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47396	3.0
54.45689	3.9
56.46685	3.5
58.02981	13.6
59.01395	4.2
61.84279	3.4
64.96891	3.2
67.03028	8.8
68.34774	3.6
69.35366	15.5
70.02972	5.4
71.01379	9.6
72.00917	6.6
74.02480	35.3
82.02986	15.7
84.04551	58.8
85.02952	3.7
86.02480	9.5
87.00887	9.6
97.04050	3.5
98.02465	5.2
99.05663	9.7
101.07189	23.1
102.05618	52.9
109.04086	52.1
115.00366	6.7
120.79168	3.5
123.66372	4.4
125.03591	13.7
127.04232	7.4
127.05138	100.0
127.06075	5.0
128.03555	76.1
134.88608	3.9
145.06195	64.7
146.04623	9.4
159.12119	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0873
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
69.47221	1.1
69.47605	1.9
71.01393	0.6
76.02515	0.6
78.04404	0.6
80.56267	0.7
80.76785	0.6
83.05019	1.5
91.73131	0.8
92.51064	0.7
93.26791	0.6
97.06600	2.9
98.22572	1.3
99.08171	100.0
100.08508	4.2
118.02989	0.9
127.07666	1.4
143.07147	1.0
145.08723	33.9
146.02515	2.6
146.09041	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24187	0.6
54.52460	0.8
59.01358	0.8
71.17255	0.9
74.02509	1.1
74.20795	0.6
84.04531	0.8
85.02958	2.2
101.83217	0.8
102.05618	100.0
103.05958	2.6
103.77756	0.6
127.05114	0.7
128.03552	34.6
128.05583	1.2
129.03909	1.6
146.04599	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	146.0461
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
51.62968	0.7
57.03453	6.0
59.01379	3.1
64.70979	0.7
68.26002	0.8
71.01384	7.0
71.05038	3.6
71.39581	0.7
72.99322	2.5
74.02489	1.0
75.00873	0.9
77.44331	0.8
78.25749	0.9
82.02983	1.0
84.04579	1.4
85.02962	16.6
87.00883	25.2
87.57561	0.7
100.04089	0.9
101.02467	2.2
101.06090	2.8
102.05620	100.0
103.04031	2.3
103.05954	4.2
128.03549	33.2
129.01945	4.2
129.03870	1.2
146.02547	1.9
146.04616	11.0
147.03018	5.1
147.04659	0.8
147.06683	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	147.0301
Annotation	Citramalate
Peak:m/z	Relative Intensity
53.86606	0.7
54.26562	0.7
56.67919	0.7
57.03455	20.2
59.01383	7.3
71.01384	2.0
71.05025	3.0
72.99313	1.0
74.77657	0.8
81.80662	0.7
85.02957	61.8
86.03316	2.3
87.00884	100.0
88.01224	2.4
88.68432	0.7
98.22630	1.5
101.02448	3.3
101.06094	4.2
103.04019	9.1
103.05974	2.0
111.57550	0.8
129.01962	12.5
129.03856	0.8
147.03012	20.6
147.06630	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	147.0301
Annotation	Citramalate
Peak:m/z	Relative Intensity
52.25656	1.3
57.03453	41.8
59.01389	8.5
64.00426	1.3
71.01382	2.8
71.05039	2.6
72.99290	1.5
74.01083	1.3
75.00850	1.3
85.02560	1.1
85.02959	91.6
87.00886	100.0
88.01233	2.9
89.27162	1.4
101.02457	24.6
101.06091	2.5
103.04018	25.9
103.05992	2.2
104.04359	1.4
129.01955	69.2
130.02296	3.4
147.03011	28.1
147.06660	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	147.0454
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
69.38327	41.3
78.81854	8.3
92.05069	22.5
101.04029	12.5
103.05526	22.1
109.04241	9.9
119.05019	25.2
137.00635	7.5
141.11949	7.2
146.42168	8.6
147.04524	100.0
161.52881	7.9
168.89439	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	147.0454
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.80822	6.9
59.01392	11.0
65.93799	7.6
66.07674	9.8
69.57939	25.6
75.00910	8.0
85.02960	19.1
87.00907	9.7
98.21829	8.2
101.18807	8.4
103.05534	18.2
119.05049	10.3
121.02982	29.9
147.01988	12.9
147.04530	100.0
147.06633	14.2
148.04056	23.7
148.06198	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0455
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.85820	9.2
51.95858	8.9
54.65203	10.1
62.74941	10.3
69.34474	49.8
103.05538	32.5
108.97144	9.9
117.03476	11.6
119.05019	23.2
123.47317	13.1
147.04559	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	148.0168
Annotation	4-formylbenzoate
Peak:m/z	Relative Intensity
62.21152	2.1
65.00336	2.8
70.02978	2.1
70.13044	6.2
71.01378	2.1
75.00861	2.1
77.03960	4.3
82.59329	1.7
87.00878	4.3
89.02427	4.6
93.03468	10.7
94.99310	15.1
95.01393	4.0
95.05019	4.6
104.02692	100.0
104.97739	6.1
105.02968	3.2
120.02189	21.6
120.04550	3.9
121.02978	40.9
133.01712	2.9
148.01630	13.9
148.04053	5.7
148.96707	4.9
149.02466	31.2
149.06030	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	148.0406
Annotation	5,6-Dihydroxyindole
Peak:m/z	Relative Intensity
59.01390	0.9
59.46176	0.7
60.46826	0.6
61.98840	0.8
65.00327	0.7
69.03458	2.7
69.50658	3.2
70.02982	0.8
71.01417	0.7
75.00896	0.6
77.03972	2.2
77.50021	0.7
81.03457	1.2
89.02431	0.7
92.05061	1.4
92.30721	0.7
93.03467	3.3
94.99316	6.5
95.01411	2.0
95.05048	2.4
97.02964	1.2
104.97762	2.0
105.02200	2.5
105.03461	1.0
105.07101	1.4
118.02970	1.1
120.04567	11.7
121.02161	1.0
121.02977	12.7
123.04525	1.2
147.03288	20.5
148.04063	100.0
148.96689	0.9
149.02466	9.9
149.04384	6.9
149.06146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0407
Annotation	(R)-4-hydroxymandelonitrile
Peak:m/z	Relative Intensity
54.22434	0.7
56.02621	0.9
59.01385	4.4
67.01875	1.4
69.27677	4.6
72.99310	15.2
75.00872	2.1
77.03927	0.9
80.30301	0.8
87.00882	15.4
89.02467	0.9
93.03465	4.8
94.30408	0.8
94.99318	6.6
103.00363	2.3
104.97776	1.1
105.01939	1.0
111.78257	1.0
120.04597	1.9
121.02966	100.0
122.03293	3.4
123.04533	0.9
134.03761	1.1
137.21823	0.8
139.03976	0.8
148.01608	1.7
148.04047	6.1
148.96735	0.8
149.00967	7.3
149.02396	6.3
149.04529	0.8
149.06136	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	148.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86987	0.7
58.12421	0.6
59.01378	4.2
63.61633	0.7
69.27714	1.6
69.28120	3.1
71.01394	2.2
72.99310	2.1
75.00859	0.9
77.03964	1.8
87.00874	3.3
87.14958	0.7
89.02453	1.9
93.03470	8.5
94.99316	1.1
95.05019	1.8
105.03450	1.1
110.74683	0.6
120.04594	2.0
121.02970	100.0
122.03307	5.0
123.04545	2.6
134.03754	1.5
139.04024	3.1
148.01668	15.7
148.04062	6.2
149.01076	2.0
149.02454	22.7
149.04388	1.5
149.06085	1.3
163.72849	0.7
164.41096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0407
Annotation	(R)-4-hydroxymandelonitrile
Peak:m/z	Relative Intensity
59.01382	1.6
65.03982	0.7
70.87330	0.8
71.01389	1.9
72.99322	1.0
87.00874	0.8
89.02453	5.3
92.05080	3.8
93.03456	3.8
120.04555	2.7
121.02966	100.0
122.03301	6.2
141.40433	0.6
148.01714	1.4
148.04068	7.5
149.02428	2.0
149.04514	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61465	2.6
69.61872	1.4
72.99314	0.7
73.17451	0.7
75.31406	0.7
75.81935	0.7
77.03984	0.7
84.58909	0.7
87.00907	1.3
87.60146	0.9
89.02456	1.4
91.05535	3.8
93.03468	7.2
94.99316	3.9
95.01384	1.2
95.05032	2.7
98.21881	1.3
103.05547	2.1
104.97680	0.8
105.03474	5.9
119.05044	7.7
120.04566	1.9
121.02972	43.3
123.04511	0.8
129.03467	1.1
146.03737	0.7
147.03355	1.6
147.04541	33.0
148.01654	2.3
148.05322	100.0
148.96735	0.8
149.01279	1.2
149.02466	9.7
149.04495	1.2
149.05640	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	149.0093
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
51.70430	1.2
58.70494	1.1
59.01383	47.7
69.03466	1.2
69.74606	1.2
69.74943	4.4
71.01385	7.8
72.99316	95.4
73.02959	5.0
75.00878	26.4
78.82260	1.1
85.02953	1.6
87.00885	100.0
88.01219	2.8
89.02457	14.4
99.06985	1.1
103.00391	10.8
103.04057	1.7
105.01942	5.8
105.52794	1.1
121.02938	2.1
130.99907	3.9
131.03488	1.7
140.57269	1.2
149.00935	43.2
149.02267	2.5
149.04568	9.0
150.01308	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	149.0245
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
59.01377	1.8
59.66385	0.4
65.03983	0.4
69.06923	0.6
69.07330	2.3
71.01419	0.4
72.99313	2.1
74.48570	0.4
76.29047	0.4
77.03970	1.7
81.03475	0.6
87.00899	2.7
89.02435	0.6
93.03468	16.8
94.03804	0.9
94.99319	1.2
95.01372	0.5
95.05038	6.5
105.03479	1.1
107.05023	0.5
120.05904	0.4
121.02972	25.0
122.03302	1.7
122.06111	0.6
123.04541	6.2
134.03746	1.6
137.02489	0.7
139.04034	6.1
144.11362	0.3
148.01680	66.9
149.02458	100.0
150.00233	0.5
150.02803	5.5
150.05602	0.8
167.36382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48997	0.5
59.01378	1.2
70.76378	1.5
72.99288	0.9
77.03969	1.5
81.03470	0.7
87.00896	0.9
89.20611	0.6
93.03468	18.4
94.99311	2.1
95.05016	6.2
96.91487	0.6
105.03486	1.0
121.02967	26.2
122.03328	1.4
123.04527	6.1
137.02432	1.1
139.04002	5.7
148.00722	0.7
148.01678	68.4
149.02461	100.0
150.02844	6.6
150.05666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45232	0.7
54.94438	0.7
56.71879	0.6
58.45912	0.7
65.30117	0.7
72.99287	0.7
75.28928	0.7
77.03985	2.2
93.03473	18.4
94.99315	0.7
95.05042	5.9
105.03458	1.1
121.02972	27.1
122.03279	1.7
123.04543	6.8
137.02451	1.6
139.04018	7.1
148.00751	0.8
148.01685	66.3
149.02464	100.0
150.02786	6.0
150.03654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	Ribulose
Peak:m/z	Relative Intensity
55.40720	2.0
59.01386	47.0
59.92420	2.3
67.22447	2.6
69.03475	4.3
71.01389	36.3
71.68260	2.3
72.25893	2.3
72.99313	86.1
73.02950	34.1
75.00881	76.1
78.82056	2.5
82.21893	2.0
83.67558	2.3
85.02937	3.1
87.00885	78.7
87.58051	2.2
89.02454	100.0
92.45847	2.0
101.02466	2.7
103.00383	9.7
103.04031	9.3
105.01945	6.4
121.02969	4.5
131.03502	9.4
133.87146	2.3
149.00934	37.3
149.02130	3.6
149.02554	1.9
149.04559	43.7
157.52397	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	149.0457
Annotation	beta-L-Arabinopyranose
Peak:m/z	Relative Intensity
51.08433	0.6
51.87595	0.5
52.51099	0.6
55.01889	1.1
57.03447	1.2
59.01385	27.9
59.21809	0.7
69.03470	4.1
70.58175	1.5
71.01391	9.5
72.99315	19.2
73.02953	12.5
74.03304	0.6
75.00880	100.0
76.01208	1.7
83.48080	0.6
85.02968	1.6
87.00883	12.7
87.01387	1.0
89.02451	29.7
89.18536	0.7
89.28051	0.7
90.02799	0.6
95.16018	0.6
101.02457	3.1
103.04031	2.6
105.01958	0.9
113.78043	0.7
122.92742	0.6
123.11430	0.7
124.97760	0.6
131.03497	6.0
140.54834	0.7
149.00916	4.0
149.04578	28.8
150.04903	1.6
164.40059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0324
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
59.01381	1.6
65.00332	1.3
65.03985	4.0
66.03514	0.7
67.01903	4.7
67.20761	0.6
70.29173	1.8
71.01384	1.2
81.03477	1.7
83.01399	1.1
83.05061	2.3
88.01230	1.1
91.78982	0.9
93.03472	2.4
95.05014	1.2
98.81703	0.7
105.03463	1.8
107.01397	1.6
107.05045	12.1
108.02180	3.1
108.04546	1.9
109.02975	4.4
119.41380	0.7
121.02989	2.8
122.03780	13.7
123.00932	1.9
123.04545	22.4
133.03040	0.7
136.01668	17.8
139.04048	2.7
149.02454	7.1
150.00214	2.8
150.03244	100.0
150.05624	3.8
151.04048	27.7
151.05157	1.2
154.02672	1.0
157.01248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0325
Annotation	6-Methylsalicylate
Peak:m/z	Relative Intensity
50.13518	1.7
50.38600	1.4
65.00318	2.1
65.03971	5.9
69.17442	8.7
71.01379	3.3
75.52114	1.4
79.05526	3.7
80.85718	1.5
81.03456	12.4
88.01188	2.4
89.02446	2.2
92.55907	1.9
93.03491	2.4
95.05045	1.7
97.02979	1.4
106.04228	2.4
107.01340	1.7
107.05037	57.8
108.02191	9.3
108.04556	4.0
109.02966	33.5
121.02977	5.6
122.03758	100.0
123.00986	1.5
123.04563	30.6
133.02972	23.5
136.01674	31.0
149.02376	2.5
150.00226	3.6
150.03236	90.9
150.05624	7.1
151.04028	52.4
151.05229	3.4
151.07640	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	150.0324
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
53.66908	0.9
56.34200	0.9
59.01376	1.4
63.02413	1.1
63.29788	0.9
65.00310	1.3
65.03973	1.9
66.03484	1.1
66.67468	0.8
67.01894	2.2
69.45986	4.4
71.01385	1.7
83.01390	1.1
83.05046	1.4
93.03493	2.3
94.02994	1.2
95.01378	1.0
95.05048	1.2
98.22598	1.2
101.02480	1.4
107.01408	1.3
107.03806	1.3
107.05050	8.2
108.02184	3.5
108.04582	2.6
109.02964	2.8
115.96901	0.9
121.02948	4.0
122.02478	1.0
122.03807	14.2
122.06146	3.2
123.00888	1.1
123.04530	18.7
136.01675	25.0
139.04004	1.8
149.02467	7.2
150.00214	3.6
150.03239	100.0
150.05634	8.9
151.04053	23.7
154.97050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0562
Annotation	Dopamine quinone
Peak:m/z	Relative Intensity
57.33508	0.4
59.01379	0.9
65.03963	2.1
68.99821	0.8
71.01394	1.1
77.03989	0.6
79.05540	1.5
81.03470	5.5
85.09760	0.6
89.02450	1.0
92.02641	0.9
93.03455	4.8
94.13815	0.7
95.01392	1.3
95.05033	2.3
97.02965	0.9
101.02496	0.9
106.04254	23.0
107.01376	0.7
107.05045	41.8
108.02186	5.2
108.04553	1.7
108.05273	0.6
109.02964	6.2
120.04558	1.3
121.02967	2.0
122.02501	0.6
122.03224	1.0
122.03794	0.7
122.06157	0.9
123.00875	0.5
123.04539	16.1
125.06160	0.6
132.04536	0.6
133.02983	6.3
134.03767	1.1
136.01683	15.8
138.03261	0.6
149.02368	1.4
150.00203	2.1
150.03082	2.2
150.05617	100.0
151.04030	17.7
151.05971	6.2
151.07118	0.8
151.07695	0.7
153.04266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0562
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
54.46907	0.3
55.87304	0.4
59.01373	0.6
66.89931	0.4
66.96154	0.4
70.77352	0.3
71.01392	1.2
81.03471	1.4
89.02464	0.7
89.08606	0.4
93.03442	0.5
94.02995	0.6
95.01376	0.5
95.48734	0.4
101.02432	0.4
105.03457	0.7
106.04288	0.8
107.05043	100.0
108.02182	1.3
108.04570	2.7
108.05379	5.6
109.02942	2.7
115.43333	0.4
121.02958	1.1
122.03197	0.5
122.03732	1.4
122.06149	0.6
123.04539	7.1
132.04591	0.8
133.02974	19.7
134.03329	0.9
136.01683	8.3
139.00169	0.4
149.02092	1.2
150.00201	1.4
150.02908	3.1
150.05627	19.7
151.02852	0.9
151.04027	8.4
151.06006	1.5
155.17067	0.4
160.20341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0563
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
51.37834	8.1
59.01411	8.8
61.12084	7.9
68.52374	7.9
71.01387	11.0
72.77718	7.7
81.03458	15.2
106.03005	10.3
107.05032	72.0
108.02154	13.3
108.04539	53.7
109.02937	37.3
122.03809	9.8
123.04525	89.6
133.02950	13.4
135.03230	14.0
136.01685	91.3
150.00171	10.7
150.05641	91.7
151.04022	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	150.0562
Annotation	Dopamine quinone
Peak:m/z	Relative Intensity
52.22110	2.4
59.01381	7.1
59.49364	3.0
65.03959	3.9
66.03496	2.7
66.91761	2.3
66.92132	2.5
67.01903	3.3
69.52182	5.6
69.52564	6.3
71.01371	9.8
79.05548	13.2
81.03467	26.8
88.01228	3.4
89.02455	4.9
93.03463	9.6
94.02985	5.5
95.01391	4.4
95.05032	6.3
97.02949	13.7
97.27061	2.6
98.22662	4.7
101.02486	2.5
106.02996	5.7
106.04225	3.2
107.05042	83.5
108.02188	12.8
108.04573	27.6
108.66147	2.6
109.02969	38.1
121.02966	14.0
122.03806	5.8
122.06092	6.2
123.04537	91.7
125.06084	11.0
132.04555	3.7
133.02991	41.8
135.03273	5.1
136.00711	4.7
136.01671	61.4
149.02507	13.0
150.00174	7.7
150.02951	9.0
150.05609	52.4
151.04034	100.0
151.05124	5.3
151.06055	6.2
158.60464	2.4
168.65794	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	151.0403
Annotation	Vanillin
Peak:m/z	Relative Intensity
57.80855	0.1
59.01371	0.2
69.14512	1.0
71.01392	0.3
79.01905	0.2
81.03465	0.2
92.02678	2.0
95.01382	0.7
95.05103	0.2
97.03010	0.2
101.02419	0.2
107.05030	0.7
108.02187	6.5
108.02920	0.3
108.04591	0.2
109.02982	0.4
121.03016	0.2
122.03733	0.7
123.04540	2.0
136.01672	100.0
137.02011	5.2
151.04021	8.2
151.05244	0.3
151.05937	0.2
151.07637	0.4
152.04413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18824	1.2
53.46752	1.3
53.52291	1.3
65.03973	11.8
66.70354	1.1
67.01907	1.5
67.59184	1.5
68.99805	1.2
69.03442	1.5
69.56193	5.4
71.44444	1.2
74.73521	1.2
79.05550	10.1
81.03463	31.4
87.99826	1.4
93.03483	2.2
95.05045	3.5
95.40341	1.3
97.02962	5.1
105.03476	2.5
106.04260	2.6
107.05044	100.0
108.02182	5.3
108.05379	5.5
109.02965	63.3
110.03295	2.9
111.91083	1.2
121.02966	5.3
122.03763	4.1
123.04543	39.9
125.06070	6.9
133.02971	45.6
134.03326	2.4
136.01683	13.6
149.02457	4.7
151.04025	76.9
152.04449	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	151.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81917	1.3
65.03981	10.6
68.99808	1.3
71.13834	1.4
77.29567	1.3
79.05537	9.2
81.03465	31.0
85.35265	1.2
87.52406	1.4
93.03470	2.0
94.62820	1.2
95.01389	1.4
95.05018	3.4
97.02943	4.1
106.04235	2.4
107.01375	1.8
107.05044	100.0
108.02190	6.4
108.05354	4.0
109.02965	54.1
110.03299	2.2
111.40380	1.4
121.02975	5.1
121.95504	1.4
123.04539	29.0
125.06082	6.4
133.02972	46.6
134.03294	3.0
136.01648	4.7
149.02461	5.7
151.04022	72.9
152.04419	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	151.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52740	1.0
65.03970	10.4
67.61125	0.9
68.99831	2.0
70.96284	1.0
74.14432	0.9
74.72395	0.9
78.59487	1.0
79.05534	7.8
81.03462	27.7
82.03803	1.0
93.03443	1.0
95.05019	2.3
97.02974	1.2
106.04292	1.8
107.05037	100.0
108.02166	3.6
108.04625	1.9
108.05382	4.6
109.02959	62.5
110.03271	2.9
121.02971	4.0
123.04529	19.4
133.02965	37.0
134.03355	1.7
136.01695	7.0
148.32428	1.0
149.02458	3.1
151.04015	67.3
152.04370	4.2
159.82880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03459	0.8
68.99812	1.2
69.23038	2.2
69.23444	1.9
78.03500	0.9
81.03460	1.2
82.02982	1.1
106.03029	0.7
107.03793	4.7
108.02175	3.2
108.04579	2.3
109.02969	10.0
110.00089	1.1
110.02462	1.3
122.02478	1.3
122.03751	32.5
123.00844	0.9
123.04005	1.1
123.04671	0.9
124.04034	1.3
124.04845	1.9
125.02431	1.3
129.80222	0.7
134.02501	0.8
137.02007	2.9
137.99588	1.0
151.87390	1.2
152.03539	100.0
153.00813	0.8
153.01985	4.4
153.03932	4.4
153.05641	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	152.0355
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
52.60016	0.3
54.87807	0.3
68.14203	0.3
68.99814	0.4
70.33562	0.7
71.00841	0.3
81.03459	0.6
83.01377	0.5
95.01399	0.4
108.02188	0.4
108.04587	0.8
109.02959	3.4
110.00127	0.8
110.02489	0.7
121.02965	1.1
122.03751	43.7
123.00874	0.6
123.04029	2.3
124.04025	0.4
124.04893	0.6
125.02464	0.9
137.02008	1.3
151.00446	0.4
151.87422	0.5
152.03546	100.0
153.02017	2.1
153.03918	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	153.0195
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
56.62497	0.8
57.03452	5.1
61.79887	0.7
63.02391	3.4
64.63643	0.7
65.00328	13.8
65.03958	2.9
66.03481	1.0
67.01900	6.8
68.99821	13.0
70.97114	1.3
71.01389	2.3
80.24021	0.7
80.96507	0.8
81.03455	5.2
82.02992	3.8
83.01395	42.7
84.01731	1.1
85.02954	5.4
87.97400	0.8
93.87332	0.8
94.11447	0.8
97.06623	1.5
107.01408	18.8
108.78925	0.9
109.02960	35.6
109.06609	1.3
110.00112	2.7
110.03312	1.8
111.00901	3.0
123.00898	2.3
123.04523	1.7
124.01641	1.1
124.03992	0.9
125.02465	17.7
127.96906	0.8
135.00917	4.2
137.99632	2.1
138.03235	1.7
151.00388	57.7
152.00783	3.0
153.01955	100.0
153.05557	3.2
153.09207	2.1
154.01260	1.5
154.02490	4.9
154.05086	2.0
169.01511	1.2
173.44359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	neopatulin
Peak:m/z	Relative Intensity
50.52805	0.9
57.03450	10.6
63.02417	5.5
64.07325	1.1
65.00328	21.7
67.01892	7.3
68.99820	18.7
69.10299	2.0
69.10698	3.7
71.40329	0.9
81.03474	3.5
83.01391	61.1
84.01703	1.3
85.02954	6.5
107.01398	31.0
109.02957	12.1
111.00884	2.4
111.14868	1.4
125.02464	20.3
126.02824	1.1
151.00389	84.7
152.00734	3.3
153.01953	100.0
154.02283	4.8
156.08347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
51.76009	0.6
56.13324	0.6
57.03452	6.0
62.93544	0.6
63.02404	4.0
65.00328	16.7
65.00655	1.2
66.03482	1.1
66.54132	0.6
67.01901	4.5
68.99816	11.4
69.61369	2.2
80.03819	0.9
81.03465	3.7
81.04609	1.0
82.90298	0.7
83.01395	50.2
84.01748	1.3
85.02961	2.6
93.04578	3.8
107.01400	21.0
109.02957	11.6
109.04086	1.3
110.07259	0.8
111.00888	2.4
123.04525	0.8
125.02457	16.4
126.02830	0.8
136.05177	0.6
137.03564	2.2
141.21715	0.6
151.00383	75.1
152.00734	4.0
153.01952	100.0
154.02336	4.7
154.06227	4.2
154.87030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
54.95784	0.6
57.03444	7.9
63.02404	3.5
65.00331	15.6
65.04003	0.8
67.01895	4.6
68.99821	14.2
70.48045	1.2
81.03461	3.3
83.01394	49.9
84.01719	1.3
85.02960	4.9
98.22580	0.8
107.01398	19.9
108.01722	1.5
109.02967	11.8
111.00853	3.1
125.02459	20.5
151.00383	73.0
152.00716	4.2
153.01947	100.0
154.02295	5.5
157.55484	0.6
169.01453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13784	0.3
64.58654	0.3
66.03490	3.4
68.99816	0.8
69.03458	0.4
71.01385	0.6
81.03463	1.4
82.00603	0.7
82.02991	1.5
83.01402	0.9
83.04999	0.3
89.40621	0.4
93.03470	1.1
93.73456	0.4
95.01395	0.7
95.05052	2.2
108.02244	1.8
108.04573	0.6
109.02967	10.1
109.04091	0.8
109.06613	1.0
110.00130	2.0
110.02486	0.8
110.03289	0.5
112.04085	0.4
122.03745	2.9
123.00901	1.3
123.04540	100.0
124.01672	0.6
124.04015	0.7
124.04855	4.6
125.02444	1.3
125.06069	0.5
134.01230	0.4
135.04506	0.9
137.99593	1.0
152.91765	0.6
153.01984	4.7
153.03021	0.6
153.05597	15.3
153.09174	0.7
153.86873	4.1
154.01479	1.9
154.05045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0559
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
55.14628	0.3
66.03489	5.4
68.99815	0.4
69.03501	0.4
70.94904	0.6
73.65324	0.3
76.01958	0.3
81.03464	1.1
82.02974	0.6
93.03487	1.2
95.01425	0.6
95.05051	2.1
108.02183	0.8
109.02979	4.5
109.04078	0.4
109.06626	0.5
110.00103	0.8
110.02443	0.8
121.02958	0.5
122.03739	3.1
123.04534	100.0
124.04057	0.4
124.04869	5.2
125.02447	1.1
135.04535	0.5
135.08133	0.5
136.00381	0.3
147.29245	0.3
151.00417	0.4
153.01973	1.8
153.05583	13.4
153.06589	0.5
153.09248	0.9
153.86874	1.0
154.01482	1.1
154.06026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53385	3.1
65.00308	4.5
66.03452	3.1
68.99815	9.9
69.03436	4.4
69.21469	18.7
71.01370	3.9
71.72062	3.2
74.60607	3.7
76.02526	3.0
81.03466	11.2
82.00604	4.7
82.02998	18.0
83.01395	8.4
97.02942	13.1
100.72948	3.5
105.45680	3.7
107.01451	3.5
108.02211	7.9
108.05822	3.9
109.02962	66.5
109.06585	18.0
110.00127	17.0
110.02521	4.7
111.04531	4.0
122.03751	99.7
123.00848	11.9
123.08186	8.7
124.01653	3.9
124.98876	4.1
125.02451	10.9
125.06031	6.5
135.08188	3.9
136.05301	15.3
137.06099	29.0
137.99599	6.6
138.06888	100.0
139.07585	10.8
151.00392	10.8
151.07642	42.0
152.08456	26.8
153.01971	42.6
153.03117	7.0
153.05540	11.7
153.09254	22.3
153.86905	23.2
154.01453	13.9
154.05116	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	153.0923
Annotation	Levodione
Peak:m/z	Relative Intensity
63.72359	2.2
68.99837	3.6
69.03468	3.2
70.75112	2.6
73.02957	12.6
81.03407	2.4
82.00611	4.1
82.02983	9.0
83.01400	6.7
83.05021	4.0
99.52387	2.3
107.01380	3.6
108.02147	3.0
109.02943	35.3
109.04094	3.0
109.06602	3.5
110.00092	9.3
123.00900	6.6
123.04526	5.6
125.02483	7.6
135.08203	3.3
137.99535	3.7
151.00366	4.2
153.01921	20.4
153.03004	3.2
153.05606	4.5
153.09224	100.0
153.86897	5.5
154.01433	4.7
154.09572	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	154.0148
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
55.01877	3.5
55.12683	0.3
57.03439	0.4
64.01935	0.4
65.99854	1.0
67.01900	0.5
68.01408	0.4
69.03463	0.7
69.18829	2.3
77.96191	0.4
81.03461	5.0
82.02987	2.8
83.01400	1.9
84.86061	0.4
85.02969	0.5
89.83662	0.4
93.03431	0.4
100.55547	0.5
107.01397	3.9
108.02235	0.5
109.01754	0.5
110.02501	0.5
110.03252	0.5
111.00889	0.6
111.04536	0.4
112.04029	0.7
115.81696	0.4
124.01668	1.4
125.02448	0.4
126.01946	0.4
127.00385	0.4
136.00482	0.4
137.01198	100.0
138.01549	3.1
139.89217	0.3
154.01472	88.0
154.99870	1.6
155.01801	2.6
155.07176	0.7
155.10791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97741	0.7
54.49640	0.6
55.01875	0.8
56.16834	0.6
61.98837	1.4
67.91544	0.6
68.01434	0.9
71.14168	1.1
81.03469	1.7
82.02988	7.1
83.01407	2.0
95.05035	18.3
96.05395	0.9
96.96011	5.5
110.02496	1.2
110.03230	0.8
111.00926	0.9
111.04550	0.7
113.06133	1.5
114.66035	0.7
116.56295	0.6
124.01707	1.1
137.01202	1.0
139.04022	100.0
140.04367	4.5
144.54604	0.6
153.86876	43.9
154.01428	4.7
154.05209	0.8
154.06358	21.1
154.86887	3.1
154.99878	0.7
155.06859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0875
Annotation	Scopoline
Peak:m/z	Relative Intensity
50.86515	0.3
55.01884	0.7
55.87102	0.3
70.02985	100.0
71.01378	2.9
71.03317	2.0
78.52162	0.4
82.02989	1.2
83.01403	0.5
83.05038	3.4
94.03024	0.4
99.08179	0.4
100.07674	0.4
101.06099	3.0
110.03257	0.6
110.09781	0.5
113.77502	0.4
136.04036	0.5
137.10597	0.4
137.11606	0.4
148.44839	0.4
151.48473	0.4
154.01433	0.8
154.05180	0.6
154.08754	13.9
154.99805	0.3
155.10793	1.0
161.36163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.108
Annotation	60046-50-6
Peak:m/z	Relative Intensity
50.97024	2.1
52.94661	2.0
69.17006	13.3
73.02950	9.4
74.55630	2.2
79.53385	2.2
92.26971	2.1
98.21895	4.4
105.62431	2.0
108.05920	1.8
126.56154	2.0
137.09705	5.9
137.34793	2.0
155.10789	100.0
156.11127	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	155.1079
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.90546	1.1
69.93324	1.7
72.48082	1.3
73.02950	8.9
83.01402	2.2
111.08207	1.5
114.05619	2.7
137.09760	5.0
140.16054	1.4
155.00049	1.4
155.02682	1.9
155.10793	100.0
156.11122	6.7
158.47781	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	155.1081
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.01870	2.5
58.02965	0.8
64.99863	0.6
67.01891	1.0
73.02956	7.8
83.01385	3.0
85.02951	1.6
93.03472	1.1
96.96028	1.8
98.00076	0.7
111.00930	0.9
111.04538	1.2
111.08142	1.5
114.05635	4.0
127.93220	0.9
128.12070	0.8
130.01245	0.7
137.09741	5.9
154.99924	1.3
155.02679	2.0
155.10793	100.0
155.86583	2.4
156.06645	0.8
156.11110	5.9
172.85588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
58.02976	1.5
59.01383	100.0
60.01720	1.5
68.99818	1.6
69.03470	2.8
71.01391	1.1
78.95943	0.4
85.02951	0.8
86.06154	0.6
96.04557	7.0
97.64062	0.4
99.00906	0.9
101.02451	0.4
113.02470	0.5
113.06084	0.7
113.09728	0.7
114.05616	1.0
114.09267	4.2
114.98914	0.5
115.05961	1.0
116.07186	74.4
118.20187	0.4
124.98769	0.6
127.00353	2.2
132.39697	0.5
139.89224	0.4
156.89508	4.3
157.01414	0.8
157.05101	0.5
157.06564	0.9
157.08723	1.8
157.12364	2.7
158.08229	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	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03442	3.3
59.01386	41.5
59.44079	2.2
68.99851	2.6
69.03460	2.4
69.33842	4.8
69.34251	8.4
71.01369	3.3
75.00880	3.7
76.85312	2.7
84.99313	8.1
85.06615	13.3
87.00884	2.6
99.00889	9.2
111.08177	5.1
112.95515	2.8
113.06098	100.0
113.09717	5.4
114.06425	3.9
114.93420	6.3
115.00388	2.7
116.07206	5.5
127.00393	19.8
134.57610	2.2
139.07620	3.4
156.89429	3.1
157.02539	3.8
157.05099	8.4
157.06581	9.8
157.08711	24.3
157.12352	22.9
158.03539	3.8
158.08192	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	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03448	1.2
59.01386	16.7
60.01712	0.7
68.99815	1.1
69.03468	0.7
71.01389	2.1
71.05014	1.4
75.00893	1.2
84.99307	2.6
85.02950	0.9
85.24342	0.7
92.10129	0.7
95.05019	0.9
96.96043	1.1
99.00890	4.2
108.15647	0.7
109.03058	0.7
111.04485	0.7
111.08189	1.5
113.06102	100.0
113.09747	2.2
114.06404	4.3
114.09251	1.2
114.11850	0.7
114.93425	2.8
115.00394	2.2
116.07201	3.6
127.00375	7.6
134.32050	0.8
139.07713	1.1
156.89494	2.6
157.01367	0.8
157.05084	7.9
157.06580	3.5
157.08720	7.9
157.12344	11.6
158.08269	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	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03457	0.9
59.01369	3.0
59.76978	0.5
68.99821	0.7
71.01374	1.3
84.99314	0.8
85.02988	0.5
85.06614	1.5
85.39197	0.5
87.80302	0.5
90.20078	0.5
97.06592	1.2
97.93128	0.7
99.00882	2.0
111.08157	1.1
113.06100	100.0
114.06446	4.0
114.93430	1.6
115.00416	1.0
116.07201	1.3
127.00381	3.5
127.07690	0.8
139.07680	1.5
156.89534	0.9
157.05078	6.3
157.06465	0.6
157.08717	6.4
157.12335	3.2
158.03693	0.6
158.08235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0872
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
59.01385	27.6
67.05530	3.4
68.99822	1.2
69.03458	2.1
70.02952	1.1
71.01391	17.2
83.05043	2.3
84.99316	3.1
93.07101	1.6
96.79791	1.0
97.06596	3.0
99.00888	4.5
101.04781	1.0
109.06595	9.5
111.08174	7.0
113.09728	2.0
114.93408	2.3
116.07220	2.1
121.06618	1.5
127.00390	6.9
127.07662	49.2
128.08002	2.5
139.07672	29.2
140.07951	1.1
156.89542	2.4
157.01358	1.6
157.08711	100.0
157.12320	9.3
158.09195	5.9
173.39644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1235
Annotation	Methyl octanoate
Peak:m/z	Relative Intensity
55.84207	1.7
57.03452	2.2
58.00592	7.2
59.01381	13.6
60.93585	2.3
63.48562	1.9
68.99818	3.1
69.03458	5.9
71.01391	35.3
72.99300	3.4
73.02953	39.0
84.99323	9.4
87.00880	2.8
92.06860	1.9
97.93130	4.2
99.00883	10.8
111.00887	3.0
113.06030	2.3
113.09737	6.7
114.93436	4.6
115.00371	5.5
116.07199	5.8
125.09782	2.8
127.00370	30.5
127.11294	37.5
137.09734	2.6
137.33592	2.1
139.11313	4.9
155.10793	17.6
156.89525	3.0
157.05241	3.6
157.08749	16.1
157.12346	100.0
158.12691	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	158.025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.3
68.99813	0.2
69.34777	0.7
71.01372	0.5
73.02931	0.6
76.01923	0.3
83.83793	0.2
86.95439	0.2
87.00859	0.2
91.13457	0.2
96.82085	0.2
97.06609	0.3
99.00867	0.3
99.92578	1.9
101.02483	0.3
102.03495	0.5
103.01855	0.2
104.38112	0.2
109.14127	0.2
111.00871	0.3
113.02407	0.3
114.94948	1.2
116.07195	0.4
116.92873	6.3
120.04573	0.9
122.21429	0.2
124.30513	0.2
129.01952	0.4
130.02968	1.3
148.04057	100.0
149.04393	5.9
150.04436	0.2
151.67648	0.2
158.02480	2.5
158.03630	0.2
158.08202	0.3
158.93884	0.7
159.02972	0.6
174.02020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03457	1.4
58.02977	1.6
59.01375	3.9
60.01723	0.7
69.03460	1.3
69.20071	2.6
71.01385	1.7
71.05025	0.4
72.99316	0.7
73.02950	2.7
84.04555	1.3
85.02968	1.5
86.02496	0.5
86.06123	6.3
87.00870	1.5
96.04559	8.0
97.02955	1.2
99.00891	1.0
101.02460	0.9
111.00869	0.8
112.04057	7.7
113.02467	0.9
113.06105	0.5
114.05620	1.9
114.09243	5.1
115.03989	0.7
116.07186	100.0
117.06799	0.6
117.07528	3.5
129.01968	1.0
135.32661	0.4
141.07123	1.7
144.05849	1.0
158.04590	1.8
158.08238	12.5
158.89310	3.0
159.03020	2.9
159.04326	0.4
159.06641	1.0
159.08199	1.6
166.98099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0824
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
54.51669	0.3
57.03449	0.8
58.02978	2.0
59.01074	0.5
59.01386	5.8
60.01728	1.4
68.99815	0.4
69.03461	1.2
70.03017	0.3
71.01395	1.3
71.43280	0.4
72.99329	0.4
73.02948	1.2
75.02806	0.3
83.01373	0.4
84.04538	0.3
85.02963	1.1
86.06155	0.5
87.00886	0.7
91.95296	0.3
96.04565	7.9
97.02964	1.2
97.04877	0.3
97.06644	0.4
99.00878	0.6
101.02444	0.6
105.94033	0.3
107.30003	0.3
111.00890	0.4
112.04058	0.7
113.02467	0.3
113.09769	0.3
114.09249	6.3
115.03989	0.3
116.07188	100.0
117.06741	0.4
117.07519	3.8
129.01971	0.6
138.40891	0.3
158.04646	0.6
158.08235	12.4
158.89323	1.3
159.03017	0.9
159.04474	0.6
159.06714	0.5
159.08365	0.5
168.42999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01382	100.0
60.01720	1.7
61.01833	0.5
64.12798	0.3
69.03469	0.5
69.78047	0.7
71.01395	1.8
72.99311	0.5
73.02950	5.0
74.91113	0.3
74.99373	0.8
75.00882	0.5
75.99494	0.3
78.95917	0.9
79.64323	0.4
83.01414	0.6
84.93883	0.5
85.02951	0.5
86.95451	0.5
87.00879	2.0
89.18574	0.4
95.05010	0.4
97.06602	1.2
99.00934	0.4
99.92590	7.8
101.02451	1.2
111.00883	1.5
113.02510	0.9
113.09736	1.0
114.94938	4.2
115.02514	4.3
115.07713	0.4
116.02609	0.9
116.05031	0.5
116.92868	19.6
116.98674	1.9
117.00455	9.7
117.92899	1.0
117.95538	5.0
118.00582	0.8
119.00216	0.5
129.01982	1.9
145.45007	0.4
158.90231	0.5
158.93961	1.7
159.01553	6.6
159.03061	3.1
159.05675	0.6
159.10304	1.6
159.96568	1.2
160.01669	0.7
160.04082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07844	0.8
59.01383	1.1
59.09798	0.8
70.81683	0.9
71.01377	1.4
73.02946	3.6
94.63064	0.6
99.92612	2.9
101.02437	1.5
111.00913	1.0
113.08337	0.8
114.94951	2.7
116.92875	9.5
117.07057	1.9
125.10619	0.7
126.65482	0.7
129.01955	1.0
130.04227	1.7
131.05055	2.0
131.08676	0.8
139.05469	0.7
141.07121	100.0
142.07448	6.9
143.05045	39.7
144.05841	12.2
145.06133	1.0
157.06618	22.2
158.03757	1.5
158.07408	3.6
159.03090	1.5
159.04517	1.9
159.08173	76.6
160.04030	2.1
160.08508	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	159.1029
Annotation	Rengyol
Peak:m/z	Relative Intensity
55.01883	0.9
57.03447	2.0
59.01383	7.5
60.01765	0.8
68.99828	1.0
69.03474	1.2
69.04069	0.8
69.53981	3.4
71.01398	4.4
71.66839	0.8
72.99297	2.0
73.02950	9.2
75.00867	1.1
84.93866	2.4
85.02975	1.9
86.95446	2.7
87.00880	5.0
97.06606	19.2
98.21929	1.5
99.00892	3.2
99.92597	26.4
100.92596	1.5
101.02444	2.7
111.00887	4.9
113.02438	1.1
113.09736	100.0
114.10081	3.8
114.94931	15.9
115.07663	1.9
116.05080	4.8
116.92872	76.3
117.92892	3.4
117.95482	0.8
129.01958	3.4
131.05075	1.3
158.84669	3.7
158.93936	7.1
159.03029	7.1
159.04520	8.6
159.06670	1.7
159.10277	65.7
160.04073	3.3
160.10619	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	160.0406
Annotation	2-Indolecarboxylic acid
Peak:m/z	Relative Intensity
53.10540	0.1
57.03450	0.2
59.01381	1.0
62.57734	0.1
63.65817	0.1
63.91557	0.1
69.03479	0.1
69.09064	0.8
71.01385	0.9
71.05025	0.8
73.02958	0.7
75.00887	0.2
79.69957	0.1
81.03472	0.2
83.01395	0.2
85.02957	0.9
87.00909	0.2
87.04520	0.3
89.02433	0.2
99.04512	0.8
100.48669	0.1
101.02480	0.2
113.02472	0.3
115.04046	0.3
116.05074	100.0
116.92861	0.4
117.05421	6.1
117.92876	0.4
124.98302	0.1
131.03528	0.4
133.02989	0.6
160.04056	5.3
160.84245	0.4
161.02483	0.6
161.04590	0.8
161.08243	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	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
57.19289	0.3
59.01381	5.7
60.17498	0.3
65.99853	36.0
69.62920	0.4
69.63258	1.2
71.01385	3.1
71.05032	3.8
72.99316	0.4
73.02954	3.6
77.03975	0.8
78.73048	0.3
80.22807	0.3
81.03470	0.9
83.01401	0.9
85.02948	5.0
87.00878	1.2
87.04528	1.0
89.02460	0.8
89.03986	1.2
90.03498	5.7
90.04123	0.3
90.04253	0.2
95.05060	0.5
98.22644	0.4
99.04533	4.4
101.02438	0.8
104.02660	0.7
105.03466	3.8
113.02459	0.9
115.01904	1.6
115.04006	1.5
115.07645	0.7
117.03478	1.9
117.05595	5.5
118.03003	0.6
123.04549	0.9
131.03539	1.5
132.02190	11.0
133.02969	100.0
134.02480	44.0
134.03297	3.6
146.03783	0.6
147.03152	0.3
159.04510	0.4
160.01656	0.6
161.02458	68.1
161.04596	3.0
161.06081	3.8
161.08191	8.1
162.01949	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0246
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
55.01891	0.5
57.03451	1.5
58.80223	0.5
59.01382	4.8
69.03453	0.6
69.10877	2.7
71.01385	4.7
71.05025	3.5
73.02943	3.8
75.00859	0.6
81.03452	0.5
83.01409	0.7
85.02959	5.8
87.00854	1.2
87.04510	1.1
89.03971	4.2
95.01346	0.6
95.05020	0.9
95.42490	0.4
99.00926	0.7
99.04527	4.2
99.29929	0.5
105.03471	4.2
106.03773	0.7
113.02447	0.9
115.04010	1.6
116.92867	0.8
117.03470	10.3
117.05581	4.7
118.03047	0.5
120.25019	0.5
121.79621	0.5
123.04543	4.0
131.03519	1.5
132.02190	6.9
133.02971	53.8
134.02438	0.7
134.03317	2.8
135.04561	1.2
160.01767	0.5
161.02457	100.0
161.04613	3.0
161.06071	1.6
161.08206	6.6
162.01698	0.9
162.02979	4.7
166.53180	0.5
174.15840	0.4
180.68338	0.5
182.87222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0246
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
57.03461	1.6
59.01379	3.8
61.74180	0.4
65.99855	5.0
69.03458	0.6
69.87801	0.8
70.28170	0.5
70.40791	0.4
71.01385	5.6
71.05028	13.8
72.05342	0.6
73.02945	3.0
75.00883	0.7
77.04002	0.8
81.03462	0.8
83.01411	0.5
85.02949	5.4
87.00885	0.6
87.04532	4.5
89.02459	1.1
89.03985	0.9
90.03505	1.2
99.04531	27.8
100.04876	0.8
101.02454	0.9
104.02695	0.7
105.03493	2.7
113.02473	1.4
115.01901	2.2
115.04033	8.0
115.07659	4.5
117.03464	0.5
117.05594	17.8
118.05958	0.6
119.04998	0.9
131.03520	1.5
132.02191	11.6
133.02972	100.0
134.02478	5.3
134.03323	4.4
136.24033	0.4
143.05011	0.7
161.02464	60.5
161.04385	3.0
161.06061	1.4
161.08211	27.3
162.00180	1.9
162.01979	8.2
162.03076	1.3
162.05551	0.8
162.08511	1.5
170.73297	0.5
183.94891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0458
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
55.01888	3.0
57.03455	100.0
58.03778	2.7
59.01384	67.2
62.31150	1.5
62.34808	1.7
65.99850	2.8
69.03453	2.2
70.81975	2.3
71.01389	37.5
71.05031	18.2
72.99319	3.2
73.02958	33.1
75.00876	5.4
80.27658	1.7
81.03474	8.6
81.53465	2.0
83.01396	10.2
85.02961	68.5
87.00877	20.3
87.04523	6.7
89.02456	5.8
95.01381	2.5
97.02984	2.8
99.04534	79.2
99.05190	3.8
100.04875	2.2
101.02456	27.4
113.02468	12.9
115.04058	11.4
115.07649	5.1
117.03460	3.1
117.05585	27.9
118.02988	2.9
131.03517	16.5
132.98242	2.5
133.02069	2.0
133.02982	7.8
143.03514	3.3
160.84221	7.8
160.89275	2.9
161.02429	8.1
161.04601	33.6
161.06050	4.3
161.08200	38.9
162.01968	7.9
162.05592	2.6
162.08463	2.2
179.51149	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	161.0457
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
53.17618	2.0
55.01878	3.8
57.03172	3.2
57.03452	41.5
59.01378	72.9
67.06678	2.0
69.03465	4.6
69.64680	5.2
71.01386	100.0
71.05017	11.7
72.01728	2.5
72.99322	3.6
73.02950	53.2
75.00883	3.6
79.27117	2.0
81.03463	9.1
83.01385	12.9
84.02156	2.7
85.02957	84.9
85.03479	5.1
87.00891	8.8
89.02467	7.1
92.73885	2.5
95.01400	13.6
97.02953	6.3
99.00881	10.9
99.04523	39.9
101.02455	14.9
106.38232	2.1
113.02455	29.7
115.04009	5.4
117.05591	8.1
125.02503	4.0
131.03523	11.0
140.36607	2.0
143.03500	5.0
161.02512	3.3
161.04572	35.5
161.08211	10.0
162.01990	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	161.0457
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
50.67041	1.5
55.01887	5.2
55.52449	1.7
57.03455	11.2
58.28883	1.5
59.01387	26.7
61.13687	1.6
70.00429	2.4
70.00793	1.8
70.28073	4.0
70.28427	2.3
71.01387	100.0
71.04995	2.9
73.02952	12.6
83.01398	2.9
84.02184	2.8
85.02955	63.6
87.00877	2.1
95.01398	26.2
97.02955	4.1
99.00869	2.4
99.04513	2.7
101.02477	4.5
113.02456	34.6
117.05603	2.9
133.02951	5.3
143.19492	2.2
146.87088	1.6
161.02469	2.2
161.04565	4.5
161.08224	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	162.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56443	0.5
58.53214	0.5
59.01386	0.7
65.99850	57.9
67.00191	0.7
83.38278	0.5
90.03491	9.6
91.05531	3.3
93.03421	0.5
101.02515	0.5
109.55415	0.4
119.05027	7.5
120.17107	0.4
134.02489	71.0
135.02872	2.2
162.01974	100.0
163.00354	1.0
163.02315	5.0
163.03935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44674	0.2
55.94706	0.3
57.03421	0.3
59.01381	1.3
70.33781	0.7
71.01382	0.5
83.73409	0.3
85.02953	0.8
91.01927	0.5
91.05539	0.4
92.05074	0.5
93.03459	2.4
94.03017	0.4
101.02451	1.9
107.05077	0.4
117.03445	0.6
119.05041	100.0
120.04572	0.9
120.05361	5.1
125.73524	0.2
133.02977	0.3
133.36107	0.2
134.03763	0.4
135.00906	0.9
135.04532	1.2
136.04044	0.6
147.04535	0.5
162.83885	0.3
162.89360	0.7
163.00410	1.9
163.02525	0.6
163.04024	6.9
163.06114	1.7
163.07510	0.5
164.03450	0.6
164.07181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
59.01368	0.5
65.99858	1.9
67.00179	1.4
70.03471	0.8
70.03848	0.3
71.01347	0.3
72.88380	0.2
91.03822	0.3
91.05538	2.2
93.03458	1.9
101.02451	0.6
117.03522	0.3
119.05037	100.0
120.05367	5.1
134.02490	0.5
135.02841	3.1
135.04527	0.5
135.06615	0.3
163.00372	0.6
163.02338	4.3
163.04024	5.6
163.06108	0.4
164.04449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.2
65.99861	2.0
67.00187	1.3
69.63255	0.8
69.63640	0.7
69.71072	0.3
72.99322	0.4
74.73134	0.3
85.02928	0.6
91.05537	14.8
92.05862	0.7
92.99165	0.3
93.03466	1.7
95.01408	0.5
101.02464	1.1
119.05035	100.0
120.02201	0.6
120.05354	4.8
134.02480	0.7
135.00906	1.1
135.02852	2.9
135.04533	1.0
142.55881	0.3
147.04478	0.5
163.00415	3.4
163.02338	4.3
163.04024	7.1
163.06134	0.7
164.01175	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	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
60.33331	0.2
63.10267	0.2
66.74136	0.2
71.01392	0.4
72.00907	2.0
81.59949	0.2
85.02957	0.7
91.01906	0.5
91.05538	0.5
92.01434	0.2
93.03466	2.0
101.02470	0.7
102.98595	0.4
118.13247	0.2
119.05038	100.0
120.04536	0.4
120.05373	5.1
120.34142	0.2
121.02971	0.3
130.72017	0.2
135.00888	0.4
135.04494	0.5
139.00998	0.2
147.03375	0.3
147.04538	6.1
162.83929	1.2
162.89296	0.3
163.00443	1.3
163.02513	0.3
163.04027	7.3
163.06194	0.6
163.07532	0.3
164.07191	2.6
164.08432	0.4
165.57713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
70.35693	0.1
70.78584	0.3
73.23029	0.1
91.05553	0.3
93.03461	1.2
117.03491	0.4
119.05036	100.0
120.05369	5.8
135.04556	0.2
162.83908	0.3
163.00374	0.2
163.04016	6.2
163.06068	0.3
164.04405	0.4
183.30215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0767
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
59.01376	0.3
67.88675	0.1
69.47165	0.4
69.47582	0.2
71.62015	0.2
78.27120	0.1
78.36878	0.1
85.02996	0.2
91.01887	0.1
97.82557	0.1
98.21934	0.3
101.02441	0.2
105.03490	0.2
119.05046	1.0
121.02978	1.9
135.04463	0.1
144.47327	0.1
147.04550	2.9
148.05315	100.0
149.05641	5.1
162.83923	0.7
163.00414	0.3
163.06267	0.2
163.07649	3.2
163.08963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.4
61.98829	3.7
71.01397	0.8
71.42315	0.9
72.44494	0.8
75.00893	1.2
78.91901	0.9
85.02961	0.9
91.01907	2.2
92.01389	1.1
93.03450	1.3
101.02444	2.1
103.01534	1.7
105.01949	14.6
107.05014	0.9
116.92084	10.1
116.92791	1.2
117.19925	0.8
118.92548	1.2
119.05054	6.5
120.57334	0.8
135.00865	1.4
142.92509	0.8
162.83966	7.4
162.89293	1.0
162.91397	1.4
163.00395	6.2
163.04118	1.9
163.06137	2.5
163.11304	100.0
164.03508	1.0
164.11630	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	163.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.4
61.98829	3.7
71.01397	0.8
71.42315	0.9
72.44494	0.8
75.00893	1.2
78.91901	0.9
85.02961	0.9
91.01907	2.2
92.01389	1.1
93.03450	1.3
101.02444	2.1
103.01534	1.7
105.01949	14.6
107.05014	0.9
116.92084	10.1
116.92791	1.2
117.19925	0.8
118.92548	1.2
119.05054	6.5
120.57334	0.8
135.00865	1.4
142.92509	0.8
162.83966	7.4
162.89293	1.0
162.91397	1.4
163.00395	6.2
163.04118	1.9
163.06137	2.5
163.11304	100.0
164.03508	1.0
164.11630	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	164.0718
Annotation	L-(-)-Phenylalanine
Peak:m/z	Relative Intensity
59.01389	0.9
72.00918	41.5
75.00880	2.0
77.03974	1.3
91.05563	3.4
92.05053	1.7
93.03438	3.5
94.02963	0.7
102.81258	0.6
103.05569	1.1
108.02209	0.7
108.04559	0.8
109.02966	1.1
118.06707	0.6
119.05033	3.9
120.04568	3.3
120.05379	15.2
121.02966	26.5
121.06585	0.8
122.03727	2.0
131.35037	0.7
135.04547	0.9
136.04019	1.4
137.02478	3.0
137.03394	0.8
147.04535	100.0
148.04918	4.9
149.01022	2.3
149.02374	1.0
150.03230	6.0
163.99773	1.7
164.01019	1.1
164.03392	4.6
164.07184	41.4
164.83580	1.9
165.01949	3.3
165.04167	0.9
165.05586	1.6
165.07587	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	164.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06089	0.6
58.04618	0.8
59.14378	0.6
69.87746	2.0
72.00913	45.7
73.01276	0.7
75.00876	1.4
88.56315	0.6
91.05549	5.9
103.05544	4.8
120.05401	1.0
121.02986	2.2
137.02452	0.7
147.04533	100.0
148.04861	4.6
150.03268	1.0
164.07178	45.8
165.04102	0.7
165.07524	2.2
176.66258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0719
Annotation	Tricaine
Peak:m/z	Relative Intensity
65.00314	0.5
72.00908	0.6
75.00874	0.6
77.03944	0.5
80.05058	2.4
92.05053	0.8
93.03473	1.9
94.02986	0.5
94.35908	0.4
102.02791	0.6
107.03838	0.5
108.04559	0.5
108.08205	2.2
109.02955	0.8
118.03040	0.5
118.06673	0.4
119.05087	0.5
119.95171	0.7
120.04550	2.7
120.05389	1.6
121.02978	13.1
121.05353	14.4
122.03732	0.6
123.04553	0.9
124.04150	0.5
128.08730	0.4
135.03233	0.5
135.04509	0.6
136.04054	2.0
136.07700	17.2
137.02466	3.5
137.04814	2.4
137.08078	0.7
147.04558	1.7
149.00987	1.3
149.04840	10.2
149.06007	0.7
150.03270	0.7
150.05188	0.6
153.04364	0.8
163.84010	1.8
164.03555	5.7
164.07185	100.0
164.83643	14.5
164.89639	0.4
165.01952	2.0
165.04111	0.6
165.05539	0.7
165.07573	4.6
181.03853	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	165.0194
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
55.01882	0.7
59.01389	5.1
65.00360	0.3
68.99821	0.4
69.24754	1.7
69.25165	0.6
71.01397	4.2
72.99319	2.5
73.02957	2.1
74.40038	0.4
74.99086	0.4
75.00882	16.5
77.03973	2.2
82.91543	0.3
83.01394	0.4
85.02980	0.6
87.00887	58.5
88.01255	1.2
89.02458	1.8
93.03448	3.4
99.00893	7.7
101.02465	1.8
105.01947	44.9
106.02285	0.4
108.02206	0.7
108.04571	0.7
109.02962	1.2
110.84066	0.3
117.01943	1.7
119.05043	1.3
121.02972	100.0
121.06594	1.1
122.03248	4.2
122.06137	0.7
123.04533	2.0
123.05618	0.8
124.04100	0.5
129.01976	1.2
135.03036	1.0
136.01625	0.8
137.02480	3.1
137.06058	0.6
138.05655	0.5
147.00859	0.4
147.02997	4.0
147.04546	1.6
149.00958	2.5
149.02016	0.3
149.06096	0.4
150.03246	2.1
151.00381	0.4
164.89659	0.5
165.01987	9.1
165.04066	29.5
165.05536	2.3
165.09203	0.9
166.01411	1.0
166.05217	1.7
179.52774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	D-Ribonate
Peak:m/z	Relative Intensity
52.97507	0.7
59.01382	7.4
70.98730	1.3
71.01385	6.7
72.99312	3.3
73.02937	4.3
75.00876	24.3
77.03976	0.8
87.00881	100.0
88.01231	2.4
89.02461	2.4
93.03483	1.4
99.00890	18.4
99.01540	1.1
101.02459	3.9
105.01943	83.7
106.02287	1.1
108.04655	0.7
109.02946	0.9
117.01939	3.4
117.64561	0.6
119.03498	0.8
119.04892	0.7
121.02970	22.0
129.01967	2.2
135.03029	2.8
137.02464	2.1
137.10979	0.6
147.03032	7.0
149.00984	1.8
150.28642	0.7
165.02055	3.4
165.04060	49.5
165.05386	1.9
166.04260	1.0
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	D-Ribonate
Peak:m/z	Relative Intensity
51.61492	0.3
52.61728	0.3
55.01878	3.6
57.03460	0.9
59.01384	8.4
67.50053	0.3
69.73772	1.2
70.54166	0.4
71.01386	5.8
72.95110	0.4
72.99310	4.1
73.02965	0.8
75.00879	100.0
76.01212	0.9
79.57507	0.3
83.01380	0.7
85.02970	0.9
87.00882	16.7
89.02444	2.1
98.22575	0.7
99.00878	4.0
101.02448	1.0
105.01945	10.5
106.98077	0.3
111.00919	0.7
117.01931	1.8
121.02956	1.2
129.01959	9.9
147.03018	4.9
165.04059	36.0
166.01828	0.7
166.04320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39921	0.2
57.11139	0.1
59.01378	0.4
65.03979	0.2
66.03499	0.2
67.01891	0.2
71.01402	0.2
71.41369	0.2
72.99310	0.2
75.00877	0.6
77.03974	1.1
79.01896	0.2
81.03458	0.3
84.44092	0.2
84.92951	0.2
87.00863	0.4
93.03468	1.3
95.01445	0.2
95.05041	0.5
100.97845	0.2
105.01919	0.2
105.03452	0.2
107.01357	0.2
108.02188	4.3
109.02974	4.5
112.94616	0.2
119.05022	0.6
121.02973	18.2
121.06613	0.4
122.03764	20.0
123.04512	2.2
123.05623	0.4
124.04058	0.2
135.04608	0.3
136.01714	0.3
136.04115	0.2
137.02464	5.0
137.06084	0.3
147.00987	0.3
147.04588	0.5
149.00998	0.8
149.02478	0.5
150.03242	100.0
151.00369	0.3
151.03581	4.3
164.83643	0.4
164.89815	0.3
165.01955	4.6
165.04132	0.4
165.05562	4.9
165.06650	0.2
165.09225	0.4
166.01430	0.4
166.05090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
59.01378	1.6
66.03460	0.3
67.01903	0.5
68.99812	0.5
69.03475	0.5
69.86801	1.2
69.87149	0.3
71.01385	0.7
72.99326	0.9
75.00875	14.2
76.76012	0.3
77.03975	1.7
81.03482	0.4
83.01392	1.0
85.02981	0.3
86.17436	0.3
87.00886	0.8
87.51215	0.4
93.03470	10.6
95.05056	0.4
97.02988	0.5
105.01946	1.0
107.05028	0.4
108.02184	1.2
108.04565	2.9
109.02958	2.2
111.14758	0.3
119.05035	0.6
121.02969	26.6
121.06598	0.6
122.03763	27.7
122.06129	1.5
123.00911	0.4
123.04526	1.8
123.05640	0.9
124.01666	0.5
129.01949	1.8
133.02951	0.5
134.03740	0.6
135.04547	1.4
136.01671	2.1
136.04031	1.6
136.94044	0.4
137.02469	9.1
137.06071	0.6
138.03204	0.5
138.05621	2.0
147.04550	0.4
148.04036	0.8
149.01004	2.1
149.02461	5.1
150.03241	100.0
151.03587	4.6
163.00395	0.6
164.89630	0.7
165.01945	6.0
165.04076	4.6
165.05588	7.8
165.06659	0.5
165.09270	0.3
166.01460	0.8
166.02721	0.9
166.05067	4.1
174.54144	0.4
183.31850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91973	0.4
64.04998	0.4
70.56441	0.8
72.99317	35.0
73.99660	0.5
91.05532	3.0
92.34898	0.4
101.03975	2.3
103.05547	3.9
117.03490	1.1
119.05039	38.8
120.05403	2.1
121.02977	3.5
130.47054	0.4
131.27756	0.5
147.04539	100.0
148.04877	5.9
151.00433	0.6
165.05585	29.0
166.05959	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0559
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
53.34215	0.5
69.52838	2.0
72.99317	35.7
73.99630	0.5
74.33654	0.4
81.96761	0.4
85.57589	0.4
88.92121	0.5
91.05550	4.4
98.21943	1.0
101.03971	1.8
103.05569	4.5
103.50343	0.5
117.03509	1.0
119.05043	39.8
120.05389	1.6
120.90459	0.5
121.02977	2.7
136.40201	0.5
147.04539	100.0
148.04884	4.9
150.03227	0.6
165.05585	29.6
166.05875	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	165.1285
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.88851	0.9
57.03439	1.9
59.01376	1.9
65.00321	1.0
70.03386	2.8
71.01390	1.0
74.81838	0.9
77.03967	2.7
80.02683	5.7
81.03465	14.8
93.03473	3.3
95.05049	1.8
97.06601	14.6
105.01960	1.0
107.05048	1.7
108.02197	1.4
109.02962	2.9
109.06602	40.8
109.66267	0.9
111.08192	1.6
119.05046	1.3
121.02969	53.2
121.06667	1.4
122.03796	1.5
123.04523	2.6
123.05630	1.1
136.01677	2.2
136.05278	4.2
137.02472	7.8
137.06114	2.6
147.04546	2.2
149.01004	4.7
149.09740	2.9
150.03215	3.9
163.11278	1.2
164.83630	54.9
164.89728	1.3
165.01955	6.4
165.04189	1.7
165.05583	5.2
165.06754	1.2
165.12860	100.0
166.01492	4.2
166.05122	1.6
166.13220	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	166.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07166	1.0
65.87154	0.9
66.03470	1.6
69.03459	1.1
71.39308	1.1
71.39707	0.9
75.00874	1.3
78.44731	1.1
79.01910	1.7
79.05544	3.2
79.95744	2.2
80.05069	1.4
81.03473	4.3
87.53701	0.9
92.05074	7.5
93.03468	3.6
94.02998	3.7
94.99038	1.0
95.01410	2.0
95.05048	2.7
97.02948	1.2
104.05104	5.1
106.02293	1.2
107.03803	1.3
108.02183	9.4
108.04572	100.0
109.04901	3.5
110.06163	1.0
120.04557	6.3
121.02950	7.2
122.02515	1.3
122.03328	3.8
122.06139	15.7
123.00897	2.3
123.03242	1.6
123.03533	1.3
123.04553	25.7
124.04060	3.2
124.04860	1.3
124.98425	2.1
136.01698	1.6
136.04057	24.1
138.05626	71.9
139.04036	2.1
139.05946	3.5
148.01692	3.4
148.04059	16.3
149.02461	27.1
150.02934	1.1
151.00444	2.1
152.01160	13.2
159.92961	1.0
164.03566	4.7
166.01456	5.9
166.05118	87.7
167.03572	11.0
167.05428	2.0
167.08266	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	166.051
Annotation	D-4-Hydroxyphenylglycine
Peak:m/z	Relative Intensity
57.67540	0.7
61.21745	0.7
63.85661	0.8
66.03487	1.4
69.64573	2.7
75.00889	1.3
78.95889	1.0
79.05535	8.2
81.03459	7.0
91.01893	0.8
93.03484	3.8
94.03013	0.9
95.01402	3.1
95.05045	2.4
97.02944	1.1
98.21918	1.2
99.04501	1.4
102.43646	0.7
106.64070	0.7
108.02185	19.8
108.04578	2.0
109.02940	1.0
121.02965	11.5
122.02519	0.9
122.03280	1.6
122.06184	1.7
123.00893	3.1
123.04536	74.6
124.01727	0.7
124.04041	2.7
124.04878	3.0
125.02444	1.5
136.01688	1.1
138.02844	1.4
138.05627	1.1
139.04031	3.2
148.01674	13.4
148.04053	4.5
149.02455	100.0
150.02809	5.6
151.00414	1.0
151.03610	1.2
152.01169	28.3
166.01375	4.4
166.05113	57.5
167.03531	9.3
167.05528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0511
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
56.73795	0.7
60.72453	0.7
61.98845	0.9
66.03485	1.0
67.01892	1.0
80.09030	0.9
80.89676	0.8
82.02972	0.9
87.23553	0.7
92.05079	0.9
94.02984	1.3
95.01383	1.4
108.02182	6.4
108.04581	1.3
110.02507	0.8
120.04645	0.8
121.02968	3.9
121.05338	2.5
121.28712	0.8
122.02491	2.1
122.03334	3.2
122.06109	2.3
123.00883	1.5
123.04552	3.8
124.04047	1.6
124.98435	3.4
136.01671	3.6
136.04286	0.7
136.05309	19.6
137.05698	1.0
138.01944	1.6
138.05588	0.7
148.04077	1.7
149.02475	1.5
151.00417	1.3
151.02750	1.0
152.01158	8.9
164.03598	0.7
165.06314	0.7
165.83658	2.0
166.01456	10.5
166.05110	100.0
166.83418	3.2
167.03563	4.9
167.05469	4.6
167.06764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	Orthoform
Peak:m/z	Relative Intensity
55.77203	0.5
58.84554	0.5
59.01375	0.7
59.21555	0.6
66.03489	0.8
70.15835	0.6
83.38606	0.7
90.42621	0.6
91.01873	0.6
93.03458	1.7
94.02986	1.0
95.01398	1.0
104.61441	0.7
108.02190	4.6
108.04573	0.8
121.02966	13.0
122.02504	1.0
122.03247	3.1
122.06126	0.9
123.00906	1.7
123.04539	2.3
124.01665	0.8
124.04063	0.8
124.98424	4.2
125.03564	0.7
136.01686	2.3
136.05305	11.6
138.01999	1.7
138.05614	0.7
149.02475	1.0
151.02773	30.9
151.03804	1.1
152.01198	5.0
152.03159	1.2
165.83698	1.9
166.01440	7.2
166.05125	100.0
166.82132	0.6
166.83351	3.9
166.99582	0.9
167.03633	3.3
167.05460	4.0
183.01765	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	167.0351
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
63.66875	0.3
65.00331	1.0
67.01899	0.4
69.19630	2.1
80.02699	1.2
81.03458	0.5
83.01401	0.4
91.01906	8.7
95.01424	0.5
96.04580	0.3
108.02185	58.8
109.02477	2.1
111.00875	0.5
114.64315	0.3
121.02951	0.6
123.00905	1.2
123.04536	25.9
124.01686	1.2
124.04855	0.7
125.02431	0.5
139.00464	0.4
152.01164	100.0
153.01553	4.1
167.03506	18.7
168.03922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
53.06862	0.3
54.16937	0.3
56.54028	0.3
57.03452	1.6
59.01384	5.3
65.00319	2.2
66.48359	0.3
69.03443	0.4
69.46290	0.7
69.46675	0.6
78.24651	0.3
80.02691	0.5
81.03465	24.7
82.03829	0.6
83.01396	8.0
93.96452	0.3
95.01389	0.7
95.05036	3.2
96.04528	0.6
99.04527	0.8
102.15211	0.3
107.01396	2.0
108.02214	1.6
108.04576	2.7
111.69931	0.3
121.03007	0.3
123.04538	100.0
124.04870	4.0
124.07693	4.4
125.02456	7.4
132.32841	0.3
146.47948	0.4
149.02423	0.4
151.00389	4.8
151.33531	0.3
152.01187	3.2
153.00690	1.0
167.03511	72.6
168.03902	3.7
168.06647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39476	0.7
58.02980	100.0
58.91367	0.7
59.01393	0.8
59.03328	1.6
60.20157	0.7
61.98834	3.3
65.00368	0.8
70.03009	0.9
74.43441	0.8
82.95435	5.1
95.01405	1.0
96.04580	2.6
97.02946	1.1
115.91212	0.8
123.00910	3.3
125.02448	8.2
125.09748	0.7
125.98556	1.1
126.01952	0.9
126.90411	0.9
132.86807	18.5
132.87741	1.3
141.02106	0.8
153.00684	21.4
153.01845	1.3
167.83734	1.2
167.87167	2.3
168.03056	4.8
168.10307	1.3
168.13850	7.3
168.83644	1.4
169.01544	2.1
169.08696	0.8
185.51819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1236
Annotation	2-exo-Hydroxy-1,8-cineole
Peak:m/z	Relative Intensity
61.98838	6.1
65.00325	5.5
68.99828	6.0
69.03464	6.1
70.87514	2.9
74.41618	2.9
81.03452	3.9
84.95126	5.0
85.00439	9.4
97.02972	11.9
97.06635	3.0
107.10181	3.0
125.02456	100.0
125.09740	13.1
126.90386	19.5
126.98183	7.8
132.86832	20.6
134.86569	59.8
141.99922	3.8
154.00996	6.5
168.83662	16.6
168.91376	4.2
169.01440	26.1
169.12343	53.3
169.83455	11.3
169.86952	6.2
170.12614	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	171.1029
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
55.15678	2.1
55.99434	2.3
57.28884	2.4
59.01376	8.5
61.98838	23.3
64.18502	2.1
81.04559	2.2
83.01401	2.0
89.02450	5.6
96.46116	2.0
96.96036	4.8
99.00922	5.4
99.92580	8.9
117.00446	2.4
117.93282	2.2
118.62558	2.2
125.09708	3.2
127.07655	11.8
127.11298	9.4
128.90071	11.5
130.08731	9.4
134.86571	16.1
136.86325	18.3
144.04541	4.3
153.09155	2.8
159.35887	2.1
170.83340	6.3
170.88364	13.4
170.91122	6.3
171.02010	53.8
171.03362	4.1
171.10286	100.0
171.13914	9.2
171.88927	3.5
172.02357	3.6
172.10704	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	172.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02537	0.2
58.02991	1.2
59.01432	0.8
64.41650	0.3
67.01952	0.7
69.69312	1.1
71.01447	0.4
82.06674	0.8
83.05067	0.4
85.06640	0.3
93.03474	3.8
93.04018	0.3
99.00922	0.4
99.92622	0.8
107.86110	0.3
111.00903	0.7
111.04539	0.7
111.08222	0.4
128.08037	0.4
128.10832	2.3
130.08751	100.0
131.09135	2.6
134.86540	0.3
144.04637	1.2
145.06534	0.3
168.19325	0.3
172.02431	0.5
172.03955	0.6
172.09747	10.1
172.14197	0.3
172.83104	1.3
173.04507	1.0
173.06052	1.0
173.08234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0982
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
52.83110	0.3
58.02982	1.1
59.01379	0.6
64.04063	0.3
67.01907	0.5
70.91900	0.4
71.01397	0.4
82.06622	0.7
93.03447	2.3
98.17535	0.3
99.92599	0.5
111.00930	0.4
111.08200	0.8
114.39172	0.3
116.05058	0.3
128.08055	0.4
128.10844	3.3
130.08752	100.0
131.09106	3.0
144.04572	2.2
172.04091	0.8
172.09804	12.0
172.83075	0.7
173.04602	0.8
173.06013	0.4
173.10153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00298	3.5
55.01884	7.4
57.03450	3.9
58.02980	8.6
59.01383	9.2
67.01898	1.8
68.05049	0.8
68.99821	2.9
69.03453	0.9
69.32441	3.9
71.01390	100.0
71.05058	1.1
72.01726	1.7
72.99312	7.0
73.02953	7.2
80.99815	2.1
83.01401	8.8
83.05019	1.0
85.02962	5.4
85.06597	21.5
86.06126	3.0
87.00890	5.9
93.03477	7.9
96.99329	5.2
99.00889	41.2
99.04530	1.8
100.01231	1.4
100.07697	11.9
101.02485	0.8
111.00897	9.0
111.04540	12.1
112.98826	21.8
113.06086	0.9
115.00383	5.8
124.98824	35.2
124.99738	1.7
127.00414	0.8
128.06285	1.3
128.07195	23.6
129.01968	1.8
129.05623	0.9
129.10381	1.1
131.08267	2.7
132.06723	3.8
140.98294	2.2
142.99876	78.8
144.00212	2.9
154.99886	2.2
155.03484	6.4
173.00946	13.4
173.04599	8.9
173.08107	1.3
173.09369	2.1
174.07722	18.1
174.34840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08624	1.0
53.00311	2.9
55.01884	7.6
55.61311	1.1
57.03445	2.3
58.67639	0.9
59.01385	11.3
67.01896	3.1
68.99820	3.7
70.15102	2.4
71.01390	100.0
72.01727	2.7
72.99319	17.9
73.02956	7.5
78.50965	0.9
80.99834	1.5
83.01396	9.9
85.02985	2.8
85.06599	1.8
87.00902	5.3
93.03469	7.8
95.16634	0.9
96.99320	5.7
99.00895	42.3
99.01546	2.4
100.01235	1.0
111.00892	8.3
111.04523	2.6
112.98828	33.7
115.00403	4.9
116.88017	1.1
117.00452	3.4
124.98822	33.5
129.01956	1.7
131.08263	3.9
140.98370	2.0
142.99879	64.5
144.00195	1.6
154.99895	1.5
172.83081	1.4
173.00908	12.1
173.04596	1.9
174.07732	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	173.0457
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
55.01880	0.9
57.03459	2.9
59.01389	5.8
64.01053	0.4
65.03979	0.5
66.16858	0.3
67.01896	3.6
68.78940	0.4
68.99825	0.9
69.03461	1.4
71.01389	13.6
71.05026	1.4
71.39584	0.4
72.99316	6.9
73.02946	2.1
82.75625	0.4
83.01395	1.3
83.05038	1.4
85.02959	1.2
85.06599	100.0
86.06932	2.5
87.00906	1.6
93.03474	12.8
96.99326	1.5
97.02940	0.5
99.00896	5.1
99.04523	1.1
101.06080	0.8
109.06616	0.5
111.00902	4.3
111.04530	18.1
111.08155	2.8
112.04842	0.5
112.98837	1.9
113.02501	0.8
115.00391	1.5
115.04034	1.5
117.00452	0.6
117.35616	0.4
119.00182	0.4
124.98816	3.3
129.05600	0.8
129.09239	0.4
131.08275	11.6
142.99887	6.6
144.99110	0.5
145.01501	0.4
145.02966	0.6
146.02519	0.7
147.00684	2.9
154.99928	1.4
155.03529	20.4
156.03896	0.9
156.07991	0.4
158.03781	0.8
172.83101	6.5
172.88135	0.8
173.00978	1.6
173.04597	20.2
173.06079	1.8
173.08212	3.4
173.10510	0.7
174.01932	0.4
174.05363	0.5
174.99387	0.4
182.50264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0457
Annotation	Rancinamycin III
Peak:m/z	Relative Intensity
57.03460	3.6
58.00584	0.6
59.01382	8.3
60.99306	2.2
67.01900	20.8
69.03465	4.1
71.01385	13.2
71.05021	0.9
71.42989	0.8
72.99311	1.4
73.02943	0.8
74.95789	0.6
75.00887	1.2
81.03466	2.9
83.01419	0.6
83.05049	3.4
85.02963	2.5
86.00108	9.5
87.00887	6.9
87.04533	1.4
93.03470	94.1
94.03783	3.3
99.00911	1.6
109.02961	3.4
111.00889	4.5
111.04536	13.5
111.08170	3.3
111.66097	0.5
113.02463	1.5
115.00381	0.7
115.04073	0.8
115.07699	0.6
118.02994	0.8
120.03159	0.6
120.78178	0.5
124.98811	1.0
126.75760	0.5
127.07699	0.9
130.08749	1.2
131.09077	3.1
137.02467	1.6
142.99904	1.7
145.03004	0.9
145.04999	0.6
146.06142	0.7
154.99867	0.8
155.03548	3.2
155.07159	0.7
172.83095	2.7
173.04572	100.0
173.08052	3.2
174.04813	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	173.0821
Annotation	Suberic acid
Peak:m/z	Relative Intensity
51.26395	0.3
55.99807	0.3
57.03454	5.6
59.01389	5.2
67.01904	1.3
69.03471	0.4
69.59001	1.2
70.42633	0.3
71.01392	1.0
72.99326	1.2
73.02964	0.4
74.69462	0.3
81.03470	1.2
83.05038	12.4
85.02952	0.7
85.06613	1.0
93.03470	4.6
98.21943	0.7
99.00898	0.7
108.57033	0.4
109.06604	3.3
111.00896	2.4
111.04523	1.4
111.08174	100.0
112.08497	3.9
113.06118	0.9
118.66849	0.3
127.07704	0.4
129.09229	5.3
129.26976	0.4
131.07162	4.0
142.99847	0.5
155.07202	0.6
169.80988	0.4
172.83115	1.0
173.01151	0.7
173.02484	0.5
173.04622	1.0
173.08212	33.9
174.05632	0.5
174.08569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1045
Annotation	L-Arginine
Peak:m/z	Relative Intensity
55.01859	0.2
57.03445	0.5
58.04095	0.6
59.01383	5.1
67.01874	0.4
71.01385	3.9
71.41006	0.2
72.99314	1.6
73.02960	0.5
79.52981	0.3
83.01389	0.5
83.06141	0.5
83.86206	0.3
85.02953	0.7
85.06602	2.0
93.03485	1.4
99.00909	1.6
111.00887	1.0
111.04521	2.7
111.08174	0.3
112.08798	0.4
112.98824	1.8
113.06095	0.6
114.05627	1.2
117.00444	0.6
124.98824	1.1
125.02361	0.3
128.07219	0.4
131.08276	100.0
132.08643	2.6
135.23853	0.2
142.99887	2.1
155.03519	1.1
156.07787	2.9
170.57506	0.2
173.01031	0.5
173.04602	1.0
173.08217	2.9
173.10463	4.5
173.43027	0.3
174.07701	0.5
174.11386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1185
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
57.03432	1.1
59.01384	2.4
67.01884	2.0
68.99827	0.9
71.01380	1.8
72.99323	0.8
73.02966	1.2
83.04996	0.8
85.02975	1.2
93.03469	11.9
94.03823	0.6
99.00881	1.2
111.00898	2.1
111.04534	2.3
111.08170	6.6
119.05066	0.7
127.11301	11.3
128.11667	0.8
129.09148	1.5
145.02962	1.1
146.02469	1.2
147.04553	7.1
155.10854	3.1
171.10306	1.6
172.83078	8.7
173.04605	1.6
173.08235	3.8
173.11850	100.0
174.05565	2.0
174.12178	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	174.0561
Annotation	NH2Mec
Peak:m/z	Relative Intensity
51.49256	0.3
53.26492	0.3
58.50547	0.3
59.01378	3.9
61.98841	0.8
65.99852	3.3
70.04270	1.0
71.01379	0.6
87.00887	0.7
102.03525	0.4
115.00404	0.7
115.04285	3.1
116.05090	0.6
118.02982	0.6
130.06598	0.4
131.03787	1.3
132.98195	1.0
135.15472	0.3
136.86313	0.5
142.02998	22.3
143.03334	0.9
144.04570	4.9
146.02493	1.2
148.04063	21.6
149.04391	0.7
159.03275	12.6
160.03607	0.5
170.87524	0.3
174.05620	100.0
174.82803	0.6
175.04034	0.3
175.04338	0.4
175.05997	4.4
181.05165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.025
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
59.01387	100.0
63.83437	1.9
68.09373	2.1
68.99826	5.9
69.03441	2.5
69.11497	12.6
69.51024	1.6
71.01387	25.7
72.99314	5.3
73.02952	3.4
75.00862	3.1
87.00886	27.4
96.99341	3.6
99.00872	4.4
100.98819	18.2
110.46364	2.0
113.06108	2.4
113.86195	2.1
115.00385	38.7
124.98814	10.8
127.97553	20.1
129.01938	4.5
132.98244	19.5
135.04520	6.0
142.99884	5.7
147.04539	2.8
148.98608	5.2
149.00412	2.7
154.96606	2.1
157.07651	3.2
174.99265	5.1
175.02457	7.6
175.03894	3.8
175.07710	4.6
176.03577	4.0
179.03522	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	175.0978
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
59.01385	25.9
62.20495	0.8
65.15884	0.9
68.13448	0.9
69.03462	2.2
71.01388	3.6
73.02936	1.1
75.36083	0.8
82.66031	0.8
83.05058	1.0
85.02954	15.4
85.06600	39.3
87.00876	3.9
93.03461	2.1
101.06092	15.2
104.02712	1.5
109.02957	1.2
113.06104	69.5
114.06422	1.9
115.00361	5.3
115.07696	1.1
119.05036	2.9
124.98873	1.0
129.05600	21.5
129.09254	8.9
131.05077	1.7
131.07158	52.8
132.07494	2.0
132.98215	7.1
133.84900	0.9
135.04544	8.9
147.04530	5.9
157.01440	1.6
157.07707	1.3
174.03346	1.7
174.82852	5.8
174.99243	3.4
175.02509	2.4
175.03992	3.3
175.09775	100.0
176.01184	1.4
176.03564	3.1
176.07178	0.9
176.10141	4.6
179.03552	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	176.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79387	0.3
51.44446	0.4
59.50095	0.4
60.32949	0.4
63.01476	0.3
69.18848	1.0
69.19267	1.1
86.84271	0.4
89.03983	0.6
92.02687	0.9
95.01426	0.6
104.02692	100.0
105.02955	3.0
108.02180	0.4
120.02187	17.8
121.02522	0.3
123.00893	2.1
124.35461	0.3
133.02965	2.7
138.03305	0.5
148.01678	65.0
149.01973	2.3
162.03244	1.0
176.01158	67.9
177.01860	6.9
177.05551	3.1
193.84549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0116
Annotation	3-(prop-2-enoate)-o-benzoquinone
Peak:m/z	Relative Intensity
58.18874	0.9
59.01381	1.4
69.67515	3.2
69.67847	0.9
71.01402	0.8
81.03481	1.0
83.07365	0.8
89.03960	2.3
93.03486	1.1
104.02686	100.0
105.02906	1.8
105.03481	3.6
108.02105	0.8
114.35623	0.9
115.00415	1.1
120.02183	12.5
123.00876	4.0
132.04549	1.3
133.02953	9.4
133.06671	0.8
148.01671	60.4
148.04066	1.8
149.02074	1.7
149.06071	1.0
162.03236	12.7
162.11542	0.9
176.01154	63.0
176.03333	5.1
176.07178	1.0
177.01923	37.3
177.05598	2.6
177.09225	1.5
180.00679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.9
69.31079	4.1
69.31488	2.3
71.01379	1.6
75.00858	1.7
87.00846	1.2
89.03972	2.3
95.01390	1.2
99.00925	2.3
104.02692	100.0
105.02934	2.1
105.03539	2.7
118.89343	1.1
120.02193	11.4
123.00880	2.8
133.01697	1.6
133.02948	8.9
133.06651	1.2
138.45973	1.1
148.01680	65.3
148.04027	2.6
149.02124	3.2
161.01158	1.3
162.03200	2.9
176.01163	63.6
176.03413	8.9
176.07162	1.2
177.01947	27.3
177.05396	1.5
177.09196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
59.01377	5.8
67.01898	5.2
69.03440	1.5
69.14928	9.0
71.01395	3.4
72.05365	1.1
76.14552	1.1
77.03989	2.7
81.03465	3.6
83.05015	2.8
85.02944	8.5
87.00887	5.7
89.04006	5.9
91.05548	1.4
93.03465	18.9
95.05052	8.3
96.31146	1.2
104.02648	1.2
104.05091	1.7
105.03475	20.8
107.05039	2.0
108.02188	5.1
109.02972	6.9
111.04549	5.0
117.03488	8.0
121.02966	2.7
123.04551	3.3
129.01973	4.8
131.03822	1.4
132.04584	16.3
133.02151	1.2
133.02971	49.9
134.03757	6.7
135.04538	100.0
136.04884	5.0
137.02446	1.3
148.01723	2.0
148.04005	2.5
148.05084	1.2
149.02438	2.9
149.06088	3.8
161.02409	3.0
162.03296	7.7
176.01219	2.7
176.03662	11.0
176.07156	3.2
176.82727	1.5
177.01933	47.7
177.05588	3.4
177.06944	1.3
177.09245	2.1
179.03514	79.5
180.03870	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	177.0193
Annotation	Esculetin
Peak:m/z	Relative Intensity
61.30922	0.3
77.03963	0.8
79.50243	0.3
81.03468	2.0
84.03493	0.3
89.03503	0.2
89.03972	8.3
93.03474	1.9
95.05035	1.6
105.03464	14.7
106.03783	1.0
107.01410	0.8
109.02923	0.5
120.05539	0.4
121.02986	1.1
123.04537	0.3
133.02968	29.9
134.03313	1.0
139.04002	1.0
149.02451	5.3
149.06044	0.4
160.25412	0.3
162.03224	0.7
177.01935	100.0
178.02312	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	177.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81351	0.3
58.12294	0.3
68.30490	0.3
69.60484	0.6
69.60879	1.0
77.03967	2.3
81.03477	2.5
89.03977	9.9
93.03465	1.6
95.05040	4.5
100.01698	0.4
105.03472	22.3
106.03826	1.0
109.02972	0.5
121.02992	1.2
123.04538	0.8
129.54024	0.3
132.02258	0.6
132.03241	0.4
133.02972	43.9
134.03319	1.5
139.04039	1.0
149.02446	4.6
149.06123	0.6
149.96869	0.3
150.03197	0.7
161.02461	0.3
162.03267	1.7
177.01941	100.0
178.02309	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	177.0196
Annotation	Esculetin
Peak:m/z	Relative Intensity
52.03795	0.2
59.78253	0.2
65.08320	0.2
65.20328	0.2
69.65083	1.1
77.03979	1.4
81.03458	2.7
89.03978	8.9
93.03477	1.4
95.05067	1.4
101.26962	0.2
105.03471	15.3
106.03844	0.4
107.01402	0.7
109.02979	0.4
110.77777	0.2
116.25234	0.2
121.02978	1.4
127.56940	0.2
133.02974	28.6
134.03264	1.6
139.04037	0.6
149.02455	4.4
159.08080	0.3
162.03168	0.3
177.01949	100.0
178.02286	5.0
188.72853	0.3
198.97697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0558
Annotation	COUMARINIC ACID METHYL ETHER
Peak:m/z	Relative Intensity
51.02346	0.2
54.47268	0.3
54.81175	0.2
56.35453	0.2
58.14476	0.2
59.01379	0.4
66.59687	0.2
69.24968	1.4
93.03432	0.4
100.56017	0.2
105.03485	1.2
106.16798	0.2
117.03472	43.8
118.04272	30.9
119.04568	1.4
121.02966	16.0
122.03316	0.6
123.04530	4.8
125.31043	0.3
133.02971	3.9
133.06616	0.4
134.03815	1.4
136.05466	0.3
145.02962	63.2
146.03290	2.9
149.02444	0.5
162.03235	10.9
162.04591	0.6
163.03746	0.3
177.02374	2.2
177.05577	100.0
178.05939	4.9
186.54524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
59.83652	0.2
69.77438	0.8
71.54203	0.2
78.87437	0.2
94.06059	0.2
95.70840	0.2
95.95200	0.2
105.11565	0.2
119.93739	4.5
120.93805	0.3
130.72461	0.2
134.96106	35.1
135.96184	2.1
136.94026	100.0
137.94096	5.9
151.92735	12.2
152.92805	0.5
178.95079	56.3
179.95180	3.9
196.96127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75504	0.2
54.28618	0.2
59.01378	0.2
60.11250	0.2
70.73500	0.3
78.38802	0.2
83.82960	0.2
89.03970	0.4
91.05536	0.5
106.04279	0.3
107.05048	2.0
115.75407	0.2
117.03469	0.8
134.03757	7.2
135.04538	100.0
136.04868	4.5
179.03523	15.3
180.03851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.27826	0.3
52.17386	0.3
52.67770	0.4
65.15318	0.3
70.17303	0.5
89.04003	0.3
91.05574	0.6
107.05042	1.9
117.03500	0.8
134.03764	7.0
135.04541	100.0
136.04877	3.8
179.03523	14.5
180.03906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55136	0.2
59.01392	2.2
70.75274	0.4
71.01371	0.7
75.00875	0.3
83.01420	0.3
85.02946	0.4
87.00907	1.5
89.02443	0.3
89.03989	0.5
90.91998	0.2
91.01904	0.6
91.05535	0.6
95.23679	0.2
97.66305	0.2
98.16251	0.2
99.00925	0.3
101.02491	0.2
106.04290	0.4
107.05054	2.1
109.02956	0.4
117.01933	0.4
117.03455	0.4
118.99341	0.4
119.01378	0.7
119.05027	0.3
133.02960	0.3
134.03761	6.1
135.04544	100.0
136.04875	4.2
146.03738	0.3
147.00908	1.9
147.04465	0.3
148.01701	0.3
151.04025	0.3
157.76376	0.2
161.04607	0.8
179.03546	13.1
179.05669	0.9
180.03896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63670	0.2
57.03441	0.9
57.03778	0.2
59.01385	2.3
59.87987	0.2
69.46199	0.8
71.01377	0.6
75.00887	0.3
85.02943	0.5
87.00875	0.8
89.02477	0.3
89.03971	0.9
91.05531	1.1
93.03484	0.3
99.00923	0.2
105.11059	0.2
106.04267	0.7
107.05039	3.4
108.02189	0.5
109.02978	0.4
117.02020	0.2
117.03455	1.2
121.02997	0.5
122.03751	0.2
125.02445	0.2
134.02718	0.5
134.03754	13.1
135.04536	100.0
136.04861	4.7
150.03236	0.5
151.00365	0.4
154.47578	0.2
161.04665	0.4
161.05884	0.2
164.00993	0.2
164.04857	0.3
168.61412	0.2
179.03520	12.5
179.07018	0.4
180.03865	0.5
190.67349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
50.07276	1.4
52.03938	1.4
58.00593	1.9
59.01385	91.9
69.79018	3.4
69.79375	2.9
71.01388	50.5
71.05000	2.7
72.99306	6.9
73.02953	9.5
73.26236	1.8
75.00880	100.0
78.95892	3.1
81.03462	5.4
83.01408	1.8
85.02953	7.4
87.00874	10.5
89.02451	21.1
92.11630	1.4
95.01379	2.2
99.00880	7.7
101.02451	6.6
105.01937	4.5
112.96938	1.7
113.02470	6.1
115.53645	1.6
119.03499	4.0
125.02465	4.4
134.03748	6.0
135.04544	55.2
136.04851	1.9
143.03513	5.5
161.04572	10.6
179.03542	6.9
179.05626	62.0
179.07193	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	179.0563
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
53.40149	0.2
55.01875	0.9
56.35321	0.2
56.99809	0.2
57.03452	0.7
58.00595	2.3
59.01382	100.0
60.01723	1.1
60.94773	0.2
61.28510	0.2
69.79282	0.8
71.01384	50.0
71.05031	1.0
72.01723	0.8
72.23447	0.2
72.99313	4.9
73.02952	4.7
75.00877	50.0
76.01221	0.6
78.95908	0.8
79.02752	0.2
81.03454	2.4
83.01383	1.1
84.02189	0.5
85.02955	6.3
87.00874	4.0
89.02448	20.1
90.02781	0.6
95.01387	3.1
96.95992	0.3
97.02951	0.6
99.00886	3.6
99.04543	0.7
101.02447	6.2
105.92222	0.2
107.05059	0.4
113.02459	5.3
119.03512	1.9
119.04993	0.3
125.02477	1.6
134.03763	0.7
135.04533	6.5
136.94006	0.8
143.03503	3.1
161.04568	4.7
163.04028	0.3
178.95049	0.4
179.05618	25.1
180.06018	0.8
186.70885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	87-81-0
Peak:m/z	Relative Intensity
53.73089	1.4
56.18545	1.6
59.01387	61.3
69.03461	1.7
70.86073	2.7
71.01019	2.7
71.01386	34.7
72.99339	2.6
73.02955	2.9
75.00877	5.8
83.01392	3.2
85.02940	6.0
87.00883	20.5
89.02464	15.3
89.03980	1.7
93.03473	2.0
95.01353	2.4
97.34576	1.6
99.00874	4.8
101.02456	4.7
107.01394	4.5
107.05042	5.2
108.02178	3.7
109.02991	2.5
113.02458	2.6
117.01981	3.4
121.03003	2.7
125.02434	3.0
133.02904	1.7
134.03751	5.5
135.04543	100.0
136.04890	4.1
151.00436	2.5
151.04088	2.2
151.07669	2.7
160.87617	1.9
161.04523	9.3
161.05748	1.7
164.01169	2.9
178.84360	2.1
178.99927	3.4
179.03526	18.5
179.05676	17.1
179.07159	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	179.0562
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
54.44230	0.4
59.01382	11.0
69.43298	1.6
69.43692	1.0
71.01383	3.8
71.05034	2.7
72.99317	7.0
73.02947	7.7
75.00877	100.0
76.01209	0.9
79.44001	0.5
81.03457	5.4
85.02964	0.7
87.00884	5.5
89.02465	1.3
93.93784	0.5
97.02982	0.9
98.21883	0.8
99.00880	6.0
99.04533	1.5
105.01964	1.3
125.02431	2.6
143.03517	6.9
161.04572	9.3
169.09554	0.5
179.05626	53.2
180.05959	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	179.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01381	22.9
63.02398	3.8
65.00326	2.5
69.03465	1.2
71.01380	13.1
72.99306	1.1
73.02944	1.5
75.00871	5.3
76.75709	0.5
78.95902	1.3
80.91669	0.4
81.03459	0.6
83.01390	2.7
85.02953	3.0
87.00874	10.0
89.02441	4.0
89.04006	0.6
91.01904	0.4
91.05524	0.7
92.02686	0.5
93.03470	1.0
95.01389	1.2
96.96001	0.8
96.96962	1.6
97.02952	0.9
98.21897	1.3
99.00885	2.9
101.02432	2.4
105.02003	0.5
106.88080	0.5
107.01387	4.1
107.05025	3.3
108.02184	0.8
108.04558	0.5
109.02969	1.3
113.02469	1.0
117.01947	1.7
117.03468	1.4
118.99291	1.0
121.02963	0.5
123.04558	0.9
125.02442	1.8
131.39671	0.4
134.03749	11.4
135.04535	100.0
136.01666	0.9
136.04865	4.9
136.94023	1.6
137.02426	0.6
138.05484	0.5
141.01936	1.0
143.03520	0.5
150.94821	0.7
150.99176	0.7
151.00378	7.8
151.03969	1.4
151.07590	0.5
152.01015	0.5
161.04561	5.9
164.01126	2.5
164.04781	0.8
169.01396	2.7
178.81514	1.4
178.99925	4.8
179.02068	1.0
179.03526	15.2
179.05615	10.9
179.07083	1.1
180.02975	0.7
180.06615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81582	0.9
55.01871	2.6
57.03450	2.1
58.00611	1.5
59.01383	73.1
60.01709	1.3
65.00301	1.6
66.63643	1.0
68.15108	1.1
69.03466	2.7
69.08588	8.4
71.01389	82.6
72.98904	1.7
72.99316	32.8
73.02954	25.8
81.03460	1.6
83.01379	6.0
85.02957	14.5
87.00882	2.1
89.02451	46.4
91.04025	1.2
93.03465	21.8
94.03014	1.2
95.01401	2.3
97.02972	4.8
101.02455	55.2
106.04227	1.5
107.05021	5.5
108.02173	2.5
109.02967	4.3
109.06578	1.7
110.02481	1.8
113.02452	8.3
115.04002	4.2
117.03422	1.7
119.03631	8.4
119.05035	67.7
120.05360	2.8
121.02956	8.5
122.03789	2.6
123.00885	4.2
123.04531	2.8
131.03485	3.4
134.03755	16.6
135.04538	100.0
136.01663	2.9
136.04875	4.5
137.02483	9.1
137.05037	2.3
137.06105	5.9
137.07022	1.1
137.09715	2.4
138.05623	2.6
139.04079	1.7
143.91638	1.1
148.01680	1.5
149.02454	8.6
149.04553	1.8
151.00404	8.2
151.07724	1.6
153.05525	1.4
161.04451	1.4
163.04021	90.6
163.06186	4.8
163.07623	2.7
164.04372	3.6
166.02722	61.8
167.03064	3.5
181.01459	3.1
181.05084	76.4
181.07185	63.5
181.08578	4.0
182.00961	1.9
182.05367	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	181.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27105	0.3
55.01877	1.3
57.03443	0.8
58.00614	0.4
58.67814	0.3
59.01387	27.4
60.01720	0.3
64.55598	0.4
65.00323	0.5
67.01897	1.3
69.03458	0.9
69.22103	2.0
71.01389	30.0
72.99327	0.7
73.02954	10.3
75.00894	0.3
75.40981	0.3
81.03458	0.5
83.01392	2.8
85.02958	5.1
87.00875	0.4
89.02454	17.7
90.02776	0.5
91.04006	0.6
93.03465	1.6
95.01384	2.2
97.02950	1.9
98.21954	0.7
101.02457	21.4
103.04008	0.4
109.02974	0.9
113.02460	3.1
115.04028	1.3
119.03525	2.4
121.02975	1.9
123.00901	19.0
123.04524	0.7
124.01263	0.4
128.35190	0.4
131.03505	1.3
135.04533	0.4
137.02512	2.0
137.06122	0.7
138.02013	0.4
138.03143	0.5
138.05641	1.3
149.02425	1.0
149.04602	0.5
151.00386	90.0
152.00725	3.3
154.15585	0.4
161.04555	0.4
163.04117	0.5
163.06155	2.2
165.01956	2.4
166.02731	100.0
167.03056	4.2
181.01526	0.8
181.05098	14.1
181.07199	24.0
181.08618	1.3
182.05881	0.3
182.07553	0.8
185.45467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03441	1.4
58.00585	0.7
59.01384	42.6
65.00321	1.0
65.03954	0.7
67.01884	0.9
69.03442	1.0
70.58238	0.8
71.01386	48.6
72.99317	1.1
73.02567	1.0
73.02954	14.9
77.03963	2.5
79.01897	0.9
81.03462	1.7
83.01379	3.4
85.02953	8.3
87.00876	1.1
89.02452	27.7
91.04019	0.7
93.03465	13.0
94.03806	0.7
95.01411	1.4
95.05037	13.5
97.02962	2.8
101.02451	32.2
102.02742	0.7
105.03469	2.2
109.02971	2.8
110.02546	0.6
113.02453	4.9
115.04020	2.0
119.03522	2.8
119.05087	1.0
121.02968	95.4
122.03725	4.6
123.00949	2.9
123.04538	37.1
124.04887	1.5
125.02457	0.7
131.03564	1.5
135.04520	2.5
137.02460	4.7
137.05066	2.7
137.06075	1.0
138.03227	2.3
139.04024	5.5
148.01678	18.7
149.02461	100.0
150.02827	3.0
151.00403	4.0
153.01895	0.8
153.05554	0.8
163.06177	4.1
166.01454	0.9
166.02739	10.9
180.84373	0.6
181.01398	1.0
181.05110	12.3
181.07204	34.7
182.04604	0.7
182.07593	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	181.0509
Annotation	Jacaranone
Peak:m/z	Relative Intensity
55.01881	1.5
57.03440	2.2
58.00626	0.7
59.01385	47.3
60.01707	1.1
60.41768	0.8
65.00305	0.8
65.03937	0.6
67.26716	0.6
67.73930	0.7
69.03453	1.0
71.01390	50.9
71.41727	0.7
72.99308	1.1
73.02567	1.2
73.02953	18.0
73.14413	0.7
77.03969	2.1
81.03477	0.7
83.01390	3.1
83.04995	0.7
85.02955	7.0
87.00842	0.8
89.02454	27.0
93.03469	12.9
95.01414	1.7
95.05038	12.0
96.05438	0.9
97.02957	4.2
101.02454	34.8
105.03477	2.5
107.08679	1.2
108.02190	0.7
109.02966	1.2
111.04562	0.8
113.02444	4.5
115.04023	2.9
119.03545	3.6
121.02971	100.0
122.03738	5.1
123.00928	1.2
123.04544	36.4
124.04922	0.9
131.03519	1.6
136.98859	0.7
137.02470	2.1
137.06116	0.7
138.02008	0.9
139.04034	5.6
148.01692	16.3
149.02461	95.9
150.02760	3.9
151.00377	4.4
159.95197	0.7
163.06180	3.5
166.02737	8.0
181.01465	1.0
181.05116	11.8
181.07219	40.2
181.08603	1.7
182.07568	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	182.046
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
59.01383	1.2
60.01727	0.4
65.17947	0.2
69.03471	0.5
69.64430	1.1
71.01398	0.8
72.01719	0.3
73.01656	0.3
73.02973	0.2
77.92073	0.2
83.05042	0.4
89.02496	0.4
89.63978	0.2
90.02753	0.3
92.05080	3.9
93.03458	0.5
94.02990	1.1
95.01400	0.3
96.96023	1.1
98.22514	0.4
98.25862	0.3
101.02426	0.3
104.31415	0.3
106.43638	0.3
107.03792	0.4
108.04568	54.0
109.04905	1.6
110.06132	0.6
111.04514	0.4
120.04581	4.5
120.05373	0.3
121.03014	0.3
121.04887	0.3
122.02471	0.6
123.00903	0.9
123.03248	1.8
136.04062	1.0
138.05626	100.0
139.05989	3.1
141.00452	0.5
152.03526	0.6
155.02003	0.7
156.05818	0.4
156.30911	0.3
164.03551	0.8
165.01926	0.4
166.99876	0.4
182.04594	20.8
182.07408	0.8
183.03360	0.6
183.04903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.2
58.80550	1.4
59.01381	4.6
59.20105	1.2
59.98552	2.1
60.71152	1.2
69.03470	1.8
69.51627	6.0
71.05020	4.1
81.03464	1.7
83.05037	6.5
98.03757	6.2
99.04538	15.5
112.04073	4.8
117.17077	1.4
121.10254	3.9
124.04112	4.5
127.32001	1.8
136.98845	1.6
137.09740	5.1
138.47047	1.6
139.11292	11.5
140.07262	2.6
147.08142	2.9
153.09241	4.1
165.09253	10.5
183.10295	100.0
184.06215	2.8
184.10562	4.0
185.59689	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	183.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12423	11.8
55.80679	12.5
58.18591	15.3
69.33917	46.1
69.34319	29.3
76.80755	14.2
76.81776	12.9
81.09288	12.8
114.50022	13.5
116.44009	12.6
121.10300	20.5
126.27414	14.1
135.68951	16.7
138.46194	14.7
183.10278	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	183.1029
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
57.03444	15.6
59.01370	15.2
62.59442	15.9
66.41930	13.0
69.03474	16.0
69.35135	44.2
69.35547	20.0
81.07142	23.1
83.05035	23.8
84.12547	11.3
93.04134	11.3
97.86874	12.5
108.15849	13.7
110.56561	12.4
111.00888	20.7
116.76515	11.9
121.10239	22.7
128.80098	11.4
137.09734	18.1
139.11320	27.1
167.99382	21.8
183.00468	26.4
183.04495	13.8
183.10292	100.0
201.19511	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	183.1028
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
52.96757	1.8
57.03436	3.5
59.01360	4.4
65.33777	2.0
67.01892	2.9
69.03457	3.7
83.05030	4.1
85.02949	2.8
95.01422	4.9
111.00883	6.4
112.98544	2.8
118.17029	1.8
121.10240	34.1
123.00896	3.6
124.01688	2.2
139.07745	2.6
139.11304	4.4
140.07086	2.1
148.82472	2.2
152.98340	3.6
153.00693	3.3
153.09322	2.2
155.10760	4.8
165.01961	3.6
165.09190	13.9
167.99435	10.0
168.00662	3.2
169.00124	2.3
182.86044	1.9
182.99139	2.0
183.00496	11.4
183.03067	4.0
183.04860	3.4
183.07794	4.2
183.10275	100.0
184.06197	3.4
184.10669	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	183.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35521	2.3
53.32572	2.2
55.01875	3.1
57.03441	8.9
59.01368	5.5
63.98629	2.8
67.01875	2.5
69.03451	7.7
69.67189	9.6
71.01384	4.8
71.05009	8.2
73.01811	2.8
83.05032	6.9
83.55768	2.5
85.06608	4.7
107.08672	13.9
109.02512	3.6
109.10240	3.2
111.00901	7.4
111.04565	3.1
111.08194	3.6
121.10223	7.3
124.01713	4.3
124.04062	3.1
130.74095	2.6
137.09724	7.0
139.00417	3.3
139.02338	11.9
139.07683	3.2
139.11293	24.6
140.07152	4.3
141.02098	2.3
152.75163	2.6
163.34338	2.3
164.98343	2.9
165.01837	2.8
167.99402	10.8
168.00661	3.6
169.00290	2.9
180.19421	3.0
183.04459	3.3
183.10281	100.0
184.01073	3.3
184.10677	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	183.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	6.2
59.01382	3.2
60.14006	2.1
67.05534	3.4
69.03461	6.0
70.83902	1.9
71.05045	2.5
71.06964	2.1
81.07096	2.6
86.02365	2.2
91.17957	2.1
107.08707	16.3
109.02511	3.3
109.10256	4.9
121.10264	5.1
137.09732	4.4
139.02342	12.1
139.07681	3.6
139.11310	21.0
156.01866	2.3
167.99315	4.0
183.10284	100.0
184.10786	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	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
55.31909	0.4
67.01896	0.9
67.16360	0.5
68.99557	1.4
69.12694	2.8
71.01362	0.5
77.43806	0.5
90.45594	0.5
101.29267	0.5
111.00891	2.3
112.98571	2.1
122.02632	0.4
137.81528	0.5
139.00369	1.0
167.99425	1.2
182.85994	0.9
183.00595	1.1
183.03067	0.6
183.13911	100.0
184.14252	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	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
69.88744	1.0
73.35920	0.3
81.42794	0.3
98.21931	0.4
113.69774	0.3
122.84456	0.3
142.60443	0.3
167.99368	0.5
183.13911	100.0
184.14268	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	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01368	0.6
61.98836	1.0
71.43600	0.4
74.31371	0.5
82.91240	0.4
83.76035	0.5
111.00942	0.6
139.21986	0.4
167.99390	1.8
174.65332	0.5
182.86066	0.6
183.00531	0.7
183.13918	100.0
184.14293	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66568	4.9
59.01385	11.6
60.72900	5.6
67.94718	4.4
72.03132	5.1
75.67572	4.4
80.72623	4.8
84.37335	4.2
95.64857	4.8
113.40990	5.0
140.02060	50.0
141.99948	10.5
184.01013	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	184.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23876	0.8
58.15018	1.0
59.01351	2.1
60.26057	0.9
61.98820	1.3
70.66821	1.3
84.50359	1.0
85.49247	0.9
94.02981	2.7
112.00437	1.0
112.04040	1.5
122.02441	1.4
124.04021	3.4
128.08459	2.1
136.04060	1.4
140.02032	1.4
140.07193	1.9
141.99969	1.4
151.30492	1.0
168.99977	1.0
184.01212	4.3
184.02783	100.0
184.06148	2.9
185.03148	5.2
185.11874	1.6
185.15434	1.8
188.77321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85048	0.4
69.30539	2.6
82.49805	0.5
121.41875	0.5
130.02986	5.0
131.03380	0.5
148.04060	82.4
149.04408	3.8
154.64166	0.5
158.02487	100.0
159.02837	4.0
168.28145	0.5
174.01976	1.1
176.14748	0.5
185.03572	15.0
185.11903	1.5
186.01981	0.9
186.03889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.061
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
67.87495	0.4
69.46554	1.3
89.75500	0.4
92.48798	0.5
92.49371	0.4
115.05524	2.5
129.07108	0.9
129.83847	0.4
141.07100	0.8
143.05046	10.4
156.05826	4.8
157.06601	15.6
158.03752	11.4
158.06982	0.7
170.16017	0.5
183.04535	3.2
184.05310	84.8
185.06084	100.0
186.06429	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	185.061
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
71.23985	0.2
76.49947	0.2
76.87708	0.2
77.50484	0.2
114.03572	0.2
115.05561	0.4
139.05545	0.2
141.07121	100.0
142.07454	4.7
182.90518	0.2
184.05302	0.4
185.06099	13.3
186.06450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42104	0.2
75.97101	0.2
79.07934	0.2
92.49565	0.2
115.05554	0.3
116.44849	0.2
119.13142	0.2
123.08205	0.4
141.07115	100.0
142.07445	5.3
157.06624	0.3
167.44370	0.2
185.06088	14.0
185.11812	0.7
185.15523	0.5
186.06471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.01902	0.8
59.01395	5.1
70.70721	1.9
71.01374	1.7
71.87603	0.8
74.33884	0.9
78.85581	0.9
82.61975	0.9
83.05025	1.5
85.02995	0.9
97.06604	1.1
131.81200	1.0
134.99434	0.8
139.11310	14.9
141.09247	3.0
142.06635	3.5
149.09627	0.9
155.10797	2.3
167.10797	4.2
185.11838	100.0
186.12149	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	185.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05813	2.4
52.85001	2.4
53.43971	2.4
53.74268	3.1
57.03439	2.9
57.27641	3.0
59.01387	5.2
68.05044	3.1
69.03457	4.3
71.41946	3.0
114.09254	97.6
115.04010	3.6
123.08242	3.5
139.11278	9.1
141.09239	13.2
141.12862	8.7
142.06602	5.6
143.15245	3.3
144.10323	30.2
167.01208	3.1
167.10864	5.2
170.00468	3.3
185.06142	3.3
185.11838	100.0
185.15425	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	185.1185
Annotation	10-Oxodecanoate
Peak:m/z	Relative Intensity
59.01385	100.0
60.01710	0.6
70.76618	0.3
71.32964	0.5
72.13431	0.3
72.68180	0.3
83.19765	0.4
113.24514	0.4
115.04050	0.5
123.08202	0.9
125.09827	0.5
140.89658	0.9
141.07132	1.3
141.09253	0.9
141.12871	0.5
167.10728	0.6
168.29721	0.4
185.04645	0.8
185.06088	1.1
185.11839	14.3
185.15399	0.6
202.61995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	Epomediol
Peak:m/z	Relative Intensity
59.01382	39.5
66.15437	0.7
69.18590	0.7
71.01397	3.5
71.05032	8.0
71.44518	0.7
77.24092	0.6
78.85168	0.7
83.05017	0.9
86.36158	1.0
92.82986	0.7
97.06605	1.2
110.89230	0.8
111.08165	1.7
113.02448	1.0
114.94524	0.7
115.04022	100.0
116.04363	2.4
123.08173	1.3
123.49403	0.7
139.11301	2.1
140.89703	1.2
141.07104	2.4
141.09213	3.6
167.10788	14.5
183.10219	3.1
185.11842	77.5
186.12260	3.6
201.52327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1185
Annotation	[1S-(endo,endo)]-1-(Hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptane-2,3-diol
Peak:m/z	Relative Intensity
53.45789	0.4
53.85114	0.4
59.01374	1.9
60.41917	0.4
63.33395	0.4
69.22987	2.6
71.01379	0.5
71.99561	0.4
83.05029	0.8
83.70822	0.5
93.53239	0.4
100.01398	0.5
137.09747	0.9
139.11320	1.4
148.04047	1.7
149.09760	2.1
155.10797	36.2
156.11150	1.6
158.02519	2.4
167.10789	33.7
168.11124	1.4
183.10229	1.1
185.11844	100.0
186.12157	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	185.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50218	2.0
59.01386	58.9
60.66620	1.8
62.38854	1.6
69.27331	8.2
71.05010	3.2
73.78399	1.9
76.79624	2.1
121.56507	1.8
122.79256	1.8
135.73242	2.0
139.11301	46.4
141.07130	4.7
141.09174	3.7
141.12920	1.8
153.41762	2.2
162.90277	1.8
171.39108	1.8
185.11848	100.0
186.12186	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	186.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45409	0.2
52.93102	0.2
59.01379	0.9
61.98855	0.5
70.36041	0.2
70.36373	0.3
82.26792	0.3
97.06611	0.4
103.01910	6.4
105.01975	0.2
114.03480	1.3
114.09249	0.4
115.01908	4.9
120.04536	0.5
125.09763	1.8
128.72235	0.2
130.03012	4.2
131.01401	3.3
142.02997	3.6
146.31569	0.2
148.04062	0.7
149.04395	1.0
158.01176	0.4
158.02490	9.1
159.00873	5.1
159.02783	1.8
186.01976	100.0
187.02359	4.9
187.09810	0.7
187.13371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	3.9
59.01384	2.2
66.03496	0.5
68.05059	4.5
69.42335	0.5
69.42725	0.4
70.06632	0.3
71.01379	0.3
74.02507	0.2
74.79466	0.2
86.81099	0.2
114.09260	100.0
115.09620	2.6
125.09716	0.6
142.06622	0.9
144.10318	33.0
145.10657	0.9
157.61969	0.2
186.01978	0.3
186.11351	3.0
187.03979	0.4
187.09734	0.5
187.11629	0.2
187.13377	0.3
187.46378	0.2
206.13364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68906	0.5
55.29580	0.5
59.01384	76.0
60.01728	1.1
61.98837	7.4
69.04774	0.6
69.18617	1.4
69.19024	1.5
77.54636	0.6
98.22631	1.3
101.00943	1.2
115.02535	5.8
117.00455	9.2
125.09736	3.1
126.98885	0.9
127.87045	4.0
141.00458	1.3
141.86842	3.9
142.89391	10.2
142.99429	0.9
143.02016	3.1
159.01506	100.0
159.86000	0.5
159.87839	1.1
160.01627	6.7
166.89052	0.6
168.99898	1.6
186.88341	1.6
187.01028	10.1
187.09744	1.2
188.00555	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	187.0978
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
51.30466	0.3
57.03453	4.0
58.88768	0.3
59.01381	2.6
60.85041	0.3
61.04837	0.3
61.33482	0.3
69.03468	0.4
69.94762	0.5
69.95064	0.5
71.05041	0.3
83.05087	0.3
85.22334	0.3
95.05045	0.7
97.06598	13.2
98.06950	0.3
98.22041	0.5
99.08164	0.8
114.69080	0.3
123.08179	7.5
125.09738	100.0
126.10072	4.2
143.10808	2.2
145.08730	2.7
168.13637	0.4
169.08751	1.9
187.09773	40.8
188.10106	1.5
208.03490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1341
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
59.01380	8.6
61.98833	19.6
69.44746	5.5
71.01393	1.3
90.97145	2.6
92.31863	1.0
96.99354	1.3
97.06599	2.0
99.92576	2.5
102.96491	1.2
103.01489	1.5
105.01935	2.3
113.09698	1.1
123.08154	1.3
125.09742	20.3
126.10168	1.6
132.98184	2.0
139.11276	4.1
140.87143	1.8
141.12869	100.0
141.86839	15.2
142.13193	3.2
142.89406	1.6
153.43860	1.2
159.01563	1.9
159.87907	6.6
169.12422	2.1
186.86377	1.2
187.01341	1.9
187.09846	10.1
187.13411	61.8
187.86165	1.5
188.03601	1.4
188.13748	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	188.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.4
61.98852	0.8
64.01949	0.5
65.00357	0.3
65.99846	2.1
67.00639	0.3
69.15971	1.6
72.23208	0.3
89.02763	0.5
93.02210	0.5
101.02711	0.3
106.00657	0.4
108.00701	0.2
117.02226	7.7
119.04999	0.4
119.34960	0.3
120.00953	1.0
126.10107	0.5
132.00908	0.3
132.04541	0.3
133.01733	2.3
135.03297	1.3
135.04527	0.4
141.86827	2.5
144.04562	0.4
145.01720	12.6
146.02151	0.5
159.03079	0.3
159.19092	0.3
159.87846	1.4
160.00436	1.1
160.04036	2.3
161.01193	2.5
162.01993	4.7
163.02771	100.0
164.03114	3.9
173.01195	55.6
174.01535	2.4
178.05107	27.4
179.05453	1.4
187.99927	0.8
188.03543	9.4
189.00600	1.3
189.09183	0.4
204.02986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.019
Annotation	Ayapin
Peak:m/z	Relative Intensity
58.97562	0.8
59.01384	1.3
61.98840	6.6
63.34818	0.7
66.74697	0.7
71.46091	0.9
72.47870	1.0
83.05028	2.1
89.03979	38.2
89.04536	1.9
90.04317	1.6
93.03468	1.7
105.01925	2.0
108.98720	0.8
117.03479	56.6
118.03754	2.1
119.05074	1.8
120.04531	2.5
122.03259	0.8
133.02982	2.3
133.53114	0.9
138.43300	0.8
143.86540	5.6
145.02937	2.1
156.31305	0.8
160.97725	1.2
161.01131	1.0
161.02452	15.9
161.87631	2.4
189.01936	100.0
190.02481	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	189.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.2
61.98840	4.4
69.88634	0.5
77.48364	0.5
78.08987	0.4
83.05024	1.1
105.01941	1.1
119.05029	1.4
120.04573	2.0
120.05350	0.6
130.03000	2.3
132.01045	0.6
142.86824	0.5
143.86525	4.4
145.02975	1.0
146.02449	1.2
147.68163	0.5
148.04065	100.0
149.04422	3.1
161.07373	0.6
161.87602	1.7
164.03569	0.8
174.01981	20.1
175.02327	0.9
180.45728	0.5
189.04352	40.9
190.04732	2.0
205.04227	0.5
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	Unknow
Peak:m/z	Relative Intensity
59.01369	2.0
71.43513	0.5
73.02950	0.8
83.05027	0.7
85.06596	100.0
86.06932	2.4
95.05042	0.6
113.06100	11.2
113.79931	0.4
115.04023	21.3
116.04328	0.5
119.05043	1.2
120.04572	1.2
129.05612	1.3
131.03807	1.5
134.06052	0.5
135.04556	0.7
139.03952	1.2
145.02985	1.1
146.02425	0.5
147.04471	0.6
158.02480	1.1
161.02438	1.7
171.06593	0.7
172.04054	0.7
174.03212	0.9
174.06885	0.6
189.01913	1.4
189.05536	3.2
189.09193	0.8
190.05009	3.4
191.03477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0511
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
53.14224	0.3
57.03428	0.5
59.01376	0.8
61.88623	0.4
65.99857	0.7
67.01896	0.4
75.14754	0.4
79.34412	0.3
82.77370	0.4
83.74548	0.4
85.02959	3.8
87.00886	3.9
90.03497	0.6
93.03460	0.5
102.03465	0.4
104.02696	1.3
111.00161	0.6
111.00893	8.1
114.03477	1.3
120.04581	1.6
130.02992	0.9
131.03786	36.5
132.04468	1.4
134.02483	1.0
143.03641	0.4
146.02469	2.2
146.06140	0.5
147.03300	0.7
147.04457	0.5
148.01637	0.8
148.04051	3.4
149.04361	0.8
157.01701	2.5
158.02490	13.8
159.02812	0.8
160.04103	2.5
162.01994	0.9
163.00392	0.6
175.02768	12.1
176.01170	3.0
176.03178	0.5
176.04764	0.4
189.04396	0.6
190.05115	100.0
190.99843	0.4
191.02007	0.9
191.03555	3.3
191.05569	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	190.0513
Annotation	5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline
Peak:m/z	Relative Intensity
54.27174	0.2
58.43294	0.2
65.99854	0.8
71.08181	0.3
79.95742	0.2
85.02956	1.5
87.00858	1.4
90.03516	0.8
92.02687	0.3
103.04263	0.2
104.02705	0.4
111.00903	2.6
114.03503	1.1
118.02995	0.7
120.04535	0.8
130.02995	0.7
131.03783	18.6
132.04480	0.8
134.02502	1.1
146.02489	2.1
146.06213	0.2
147.03256	0.9
148.04088	1.6
149.04427	0.3
157.01695	3.1
158.02490	15.8
159.02866	0.8
160.04051	2.6
162.01961	0.8
173.00919	0.2
175.02756	12.4
176.01192	0.2
176.03122	0.7
189.04324	0.4
190.05115	100.0
191.05490	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	190.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.8
55.50746	1.0
57.03458	0.9
59.01375	2.1
61.98827	3.4
63.02387	2.8
63.18914	1.2
65.00324	4.8
66.04602	1.0
67.01899	1.1
69.03459	37.1
69.33329	5.6
69.87112	1.0
79.01904	10.7
81.03461	8.7
85.02942	6.5
87.00864	3.1
91.01904	12.9
93.03435	2.4
95.01415	2.1
97.02961	18.3
104.02682	4.0
107.01403	61.7
108.01704	1.5
111.00880	4.7
116.57166	1.0
116.63821	0.9
118.99364	5.3
119.01389	18.9
119.66629	1.1
119.90869	1.0
121.02896	2.3
123.00877	1.6
125.02468	9.7
135.00893	86.1
136.01215	3.7
137.00375	1.3
145.86407	1.5
147.00911	5.8
147.04469	1.6
148.01651	3.3
152.75607	1.2
163.00386	100.0
164.00706	2.5
176.01137	19.4
190.99855	44.6
191.03516	7.3
191.05606	19.3
191.10800	3.0
192.00320	1.7
192.06937	1.0
203.26126	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.9
57.22034	0.3
58.24260	0.4
59.01385	4.0
67.01892	3.6
69.03466	0.6
69.57569	1.4
71.01387	2.5
72.99311	0.5
73.02935	1.1
81.03455	1.3
83.05029	1.3
85.02959	46.6
86.03293	1.0
87.00884	41.9
88.01229	0.6
93.03466	7.9
99.00883	0.8
99.04533	1.0
101.02460	0.6
109.02972	2.5
111.00892	78.0
111.04536	2.5
112.01223	2.1
112.98817	0.9
127.04031	5.5
129.01964	4.8
130.99927	0.5
147.03008	0.6
153.95511	0.3
154.99921	0.6
171.03040	1.6
173.00890	1.2
173.04549	1.9
191.02036	7.4
191.05629	100.0
192.05968	3.0
204.89314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70288	0.4
51.30951	0.4
52.66803	0.4
55.01876	0.5
57.03458	5.2
59.01382	8.1
67.01904	3.0
69.03445	0.5
71.01376	7.2
72.99302	1.4
73.02956	2.5
81.03457	1.4
83.01377	1.7
83.05029	1.6
85.02956	43.4
87.00881	36.1
88.07043	0.6
92.95993	0.7
93.03460	8.6
97.41695	0.5
99.00896	3.9
99.04510	1.2
101.02440	1.1
109.02956	2.7
111.00891	56.0
111.04550	2.5
112.01213	1.5
112.98813	7.9
114.85944	0.5
115.04079	0.6
117.01965	1.1
127.04015	5.2
129.01953	4.1
130.99883	0.7
148.94986	1.8
171.03033	1.5
173.00949	1.6
173.04524	2.5
191.02057	6.2
191.05623	100.0
192.05928	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	191.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.2
58.21364	0.3
59.01381	5.0
65.77139	0.3
67.01894	2.8
69.03452	0.7
70.74320	0.7
71.01385	1.8
73.02957	1.4
81.03465	1.0
83.05035	1.0
85.02956	42.5
86.03297	1.0
87.00884	35.7
88.01229	0.5
93.03467	8.3
94.03808	0.3
98.21890	0.3
99.00933	0.4
99.04524	0.9
101.02445	0.7
103.04012	0.4
109.02972	1.9
111.00892	64.3
111.04499	2.5
112.01241	1.3
113.02457	0.4
117.01923	0.3
127.04036	5.1
129.01953	3.4
137.02470	0.6
147.02937	0.3
150.85803	0.4
154.99883	0.4
155.03473	0.5
155.72589	0.3
171.03027	0.8
172.57123	0.4
173.00937	1.3
173.04530	2.4
191.02074	6.3
191.05629	100.0
192.05980	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.7
59.01381	3.8
61.50231	0.4
67.01900	4.8
69.03455	0.7
69.83355	1.4
71.01394	1.5
72.99327	0.5
73.02954	1.3
73.46413	0.4
75.67204	0.4
79.63231	0.5
81.03484	1.0
83.05011	1.1
85.02958	50.3
86.03295	1.1
87.00883	50.1
88.01218	0.5
93.03470	6.6
94.60294	0.4
99.04532	1.0
101.02481	0.9
109.02975	1.9
111.00892	100.0
111.04482	2.1
112.01213	2.2
127.04006	4.9
129.01953	5.2
130.99873	0.7
147.03032	0.6
154.99854	0.7
165.84787	0.4
171.02986	1.2
173.00922	1.5
173.04565	1.4
191.02034	8.1
191.05626	84.6
192.06006	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71484	0.4
57.03453	6.7
57.94294	0.4
59.01379	4.5
67.01900	4.0
71.01393	2.5
73.02966	1.1
81.03464	1.5
83.05038	1.3
85.02956	52.0
86.03313	0.8
87.00882	47.3
93.03465	10.0
99.00889	0.9
99.04530	1.2
101.02420	0.6
103.04029	0.5
109.02988	2.5
111.00890	82.7
111.04520	2.8
112.01225	2.4
127.04046	4.9
129.01956	4.6
137.02560	0.6
147.02734	0.5
153.02126	0.4
154.99806	0.8
164.59378	0.4
171.02983	0.8
173.00894	1.3
173.04558	2.8
186.08850	0.5
191.02058	8.0
191.05623	100.0
191.27875	0.5
192.06027	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50729	0.2
57.03458	0.6
59.01374	0.6
69.41820	1.2
85.02962	3.9
87.00880	4.9
93.03473	0.6
104.02692	19.1
105.03021	0.5
107.05102	0.2
111.00889	10.8
118.99315	0.4
119.05029	0.5
120.02193	3.2
123.00980	0.3
129.01964	0.8
135.04486	0.2
135.30209	0.2
147.03214	0.3
147.04543	0.7
148.01682	20.3
148.05336	0.4
149.02089	0.8
149.06067	0.4
163.00377	0.7
163.03947	0.4
176.01160	100.0
177.01527	4.1
189.63701	0.2
191.02061	1.1
191.03523	20.4
191.05580	3.9
191.07185	1.2
191.10867	0.3
192.03964	1.2
192.06070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
55.16202	0.2
57.03453	0.5
59.01387	0.4
69.64290	0.4
69.64674	0.5
75.31371	0.2
85.02952	2.8
87.00886	3.1
93.03494	0.3
97.35791	0.2
104.02692	19.5
105.03024	0.6
111.00887	5.6
112.01152	0.2
118.99259	0.3
120.02185	2.8
123.00942	0.5
127.04046	0.3
147.04543	0.4
148.01683	20.4
149.02005	0.9
149.87842	0.2
176.01158	100.0
177.01491	4.4
181.66144	0.2
191.03520	19.7
191.05589	4.8
191.10855	0.3
192.03883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.95208	0.3
61.37538	0.2
85.02973	1.4
87.00889	0.5
93.03495	0.7
111.00896	1.1
118.99323	0.8
119.05016	1.2
121.02967	100.0
121.57493	0.3
122.03306	3.1
129.01331	0.3
146.02498	0.6
147.04539	6.1
149.02425	0.2
174.86079	0.3
176.01009	0.5
176.02405	0.6
191.03535	5.4
191.05618	3.5
191.10774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
59.01395	0.1
67.01894	0.2
71.40933	0.1
76.37416	0.1
80.54042	0.1
85.02959	1.2
87.00883	2.0
93.03476	0.1
95.01397	0.2
104.02692	20.7
105.03017	0.7
111.00890	3.8
112.01212	0.1
113.48855	0.1
118.99282	0.2
119.05012	0.1
120.02178	3.1
123.00867	0.3
129.01956	0.2
132.02222	0.1
135.04637	0.1
136.01709	0.1
138.03226	0.1
147.04529	0.4
148.01674	21.5
149.02010	0.7
163.00391	0.1
163.02322	0.3
176.01157	100.0
177.01500	4.5
177.03819	0.1
178.16696	0.1
179.71635	0.1
180.00648	0.1
191.03513	17.6
191.05431	0.9
192.03867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
59.01390	1.0
61.98825	3.1
72.99308	0.6
77.66171	0.6
85.02958	5.3
87.00880	2.1
89.00967	0.5
93.03452	1.3
104.01987	1.1
104.02695	21.0
111.00886	3.0
118.99303	3.5
119.01424	1.0
120.02203	2.6
121.03013	0.9
123.00897	0.7
127.04035	0.9
137.00407	1.0
145.86511	2.0
147.08214	0.5
148.01677	23.2
149.01981	0.7
153.07430	0.5
163.00426	2.8
176.01163	100.0
177.01549	4.2
190.97836	1.1
190.99838	1.9
191.03534	18.9
191.05621	12.9
191.10735	3.3
192.03914	0.8
198.69604	0.5
212.80484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	5,7-DIHYDROXY-4-METHYLCOUMARIN
Peak:m/z	Relative Intensity
55.14579	0.2
57.03438	0.2
57.08619	0.2
57.31045	0.2
59.01366	0.3
60.05952	0.2
63.02402	4.1
65.00325	2.9
67.01900	0.2
69.64398	0.4
69.64793	0.3
79.05517	0.7
81.03465	4.3
83.01411	1.8
85.02962	1.7
87.00877	1.8
88.67942	0.2
89.00337	0.4
91.05548	0.6
93.03453	0.3
103.05541	0.5
104.02688	0.3
105.03465	2.9
106.03651	0.2
107.01393	2.4
110.04329	0.2
111.00898	4.1
118.99324	0.4
119.05037	1.7
121.02947	0.6
123.04530	2.2
125.02447	0.3
132.02170	0.6
135.04533	0.3
147.04533	5.9
148.01657	0.5
149.02458	4.8
151.00420	0.4
163.00372	0.2
163.04010	0.7
173.00868	0.2
176.01161	1.1
191.03514	100.0
192.03868	4.9
209.37494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
55.01871	0.4
57.03448	1.7
59.01381	3.8
66.70763	0.3
67.01888	1.7
69.03461	0.8
70.12926	0.8
71.01389	1.6
71.39053	0.3
73.02943	1.1
81.03460	1.1
83.05037	1.1
85.02957	29.9
86.03326	0.4
87.00884	16.4
93.03469	7.6
96.02194	0.3
98.22631	0.4
99.00896	0.7
99.04549	1.1
101.02444	0.5
109.02986	2.1
111.00894	25.7
111.04539	2.6
112.01214	0.7
127.04038	4.5
129.01936	1.6
137.02470	0.4
148.94966	0.5
171.03009	1.2
173.01004	0.6
173.04572	1.9
191.02130	2.4
191.05629	100.0
192.05997	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	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88636	0.2
57.03457	1.8
59.01385	4.2
60.99315	0.2
61.43261	0.2
67.01880	1.5
69.03455	0.5
70.71996	0.3
71.01387	2.4
72.19779	0.2
72.99309	0.9
73.02947	1.2
75.94612	0.2
76.33876	0.2
81.03446	1.2
83.05023	1.0
85.02959	31.4
86.03284	0.6
87.00886	16.1
88.01250	0.4
93.03467	7.6
99.00887	1.0
99.04520	0.8
101.02451	0.5
109.02981	2.4
111.00893	21.7
111.04524	2.6
112.01275	0.4
112.98834	0.3
113.02434	0.4
127.03140	0.5
127.04018	5.4
129.01974	1.8
154.99730	0.3
155.03477	0.4
156.21841	0.2
171.02960	1.5
173.04593	2.9
191.02150	2.6
191.05630	100.0
192.05968	3.4
205.37427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
51.37517	0.2
57.03448	0.9
59.01386	3.6
60.69935	0.2
67.01900	1.1
69.03458	0.8
71.01389	1.6
73.02956	1.0
81.03468	0.8
83.05021	1.1
85.02959	25.4
86.03303	0.3
87.00888	6.8
93.03469	7.4
94.03780	0.3
96.02199	0.3
99.04520	1.1
101.02484	0.4
109.02967	1.9
111.00896	5.1
111.04541	2.5
113.02458	0.2
118.68986	0.2
118.99337	0.4
127.04024	5.2
129.01976	0.3
137.02440	0.3
147.04610	0.3
153.01953	0.2
155.30469	0.2
161.04729	0.2
171.03012	1.4
173.04591	1.9
176.01157	0.8
191.05630	100.0
192.05963	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	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.02429	0.2
57.03447	0.9
59.01120	0.4
59.01388	4.5
67.01875	1.3
69.03457	0.7
71.01390	1.9
71.10512	0.2
73.02956	0.8
81.03475	1.2
83.05041	1.1
85.02962	25.9
86.03286	0.8
87.00886	4.9
93.03471	8.0
96.02190	0.4
99.04523	1.1
109.02968	2.5
111.00892	1.4
111.04547	2.7
115.03966	0.3
118.43387	0.2
125.02470	0.3
127.04031	5.6
137.02507	0.5
153.01990	0.4
167.00984	0.3
171.02991	1.6
173.04539	2.6
178.98386	0.3
188.11354	0.3
191.05634	100.0
192.05986	3.7
198.15642	0.3
203.52795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0564
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.01684	0.2
57.03444	1.1
59.01387	3.6
67.01891	1.3
69.03455	1.0
71.01386	2.1
72.40469	0.2
72.99338	0.4
73.02956	1.3
81.03452	1.0
83.01390	0.5
83.05019	1.2
85.02959	25.6
86.03278	0.4
87.00887	9.0
93.03466	7.9
95.01350	0.2
96.88848	0.2
99.00870	0.6
99.04516	1.0
101.02435	0.5
104.02732	0.3
108.02285	0.3
109.02955	2.0
111.00897	8.9
111.04527	2.4
112.04904	0.2
118.99315	0.5
119.05042	0.4
121.02924	0.6
124.06875	0.3
127.04033	5.2
129.01950	0.7
130.06589	0.4
134.03770	0.4
135.04523	0.3
137.00381	0.3
137.02455	0.4
147.04514	0.4
148.01674	0.5
149.06085	0.3
155.03496	0.4
163.00415	0.3
163.03993	0.3
163.07712	0.4
163.17690	0.2
171.03021	1.3
173.04607	2.0
176.01193	1.7
176.03168	0.4
191.05626	100.0
192.05962	3.5
199.24413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58743	0.3
57.03447	3.1
59.01387	4.5
61.73207	0.3
61.86848	0.3
67.01897	3.2
68.15034	0.4
69.03456	0.8
69.72422	1.3
71.01399	2.1
72.99295	0.5
73.02956	0.8
81.03465	1.1
83.05020	1.2
85.02959	37.8
86.03291	0.9
87.00887	21.5
93.03464	9.3
95.95740	0.3
97.06620	0.3
99.00878	0.7
99.04518	1.2
109.02979	2.1
109.55867	0.3
111.00895	34.2
111.04544	2.9
112.01210	0.7
114.85243	0.4
127.04029	5.2
128.04367	0.3
129.01955	1.6
137.02441	0.5
142.72281	0.3
155.03491	0.4
171.03012	1.2
173.00989	0.4
173.04538	2.4
176.24803	0.3
191.02121	3.4
191.05638	100.0
192.05986	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51745	0.2
57.03451	0.5
59.01378	3.5
61.66922	0.2
67.01886	0.9
69.03458	0.6
69.90483	0.3
69.90826	0.5
71.01392	2.0
73.02935	0.7
81.03460	1.0
83.05034	1.1
85.02958	24.4
85.62389	0.2
86.03299	0.6
87.00887	5.6
93.03474	7.5
95.01356	0.3
97.03001	0.3
98.22580	0.3
99.00887	0.3
99.04530	1.1
109.02959	1.9
111.00892	2.2
111.04543	2.5
123.50543	0.2
127.04041	4.9
137.02460	0.3
155.03523	0.4
167.48936	0.3
171.02995	1.3
171.27554	0.3
173.04527	2.0
191.05629	100.0
192.05971	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	193.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84119	0.3
56.22304	0.3
59.01365	1.3
65.03946	0.5
67.01889	0.8
67.87766	0.3
71.01387	1.2
73.64141	0.3
79.31187	0.3
81.03447	0.8
88.54327	0.4
93.03471	4.7
95.01398	0.6
101.02473	0.7
104.11729	0.3
105.03492	0.9
107.01456	0.4
108.02187	0.4
109.02963	9.9
110.03278	0.4
111.00892	0.4
117.03514	0.6
119.01399	0.9
121.02970	14.2
133.02957	1.3
134.03760	22.2
136.01619	0.7
137.02458	25.3
138.02838	0.4
139.04057	0.6
147.00871	2.8
149.02451	4.3
149.06108	3.2
149.09659	0.7
150.03174	0.7
150.94839	0.7
165.01938	17.8
166.02318	0.5
175.00388	4.4
178.01186	0.6
178.02739	11.3
179.02122	0.5
192.00473	0.5
193.01434	100.0
193.05025	5.2
194.01787	4.1
213.16805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0144
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
55.84119	0.3
56.22304	0.3
59.01365	1.3
65.03946	0.5
67.01889	0.8
67.87766	0.3
71.01387	1.2
73.64141	0.3
79.31187	0.3
81.03447	0.8
88.54327	0.4
93.03471	4.7
95.01398	0.6
101.02473	0.7
104.11729	0.3
105.03492	0.9
107.01456	0.4
108.02187	0.4
109.02963	9.9
110.03278	0.4
111.00892	0.4
117.03514	0.6
119.01399	0.9
121.02970	14.2
133.02957	1.3
134.03760	22.2
136.01619	0.7
137.02458	25.3
138.02838	0.4
139.04057	0.6
147.00871	2.8
149.02451	4.3
149.06108	3.2
149.09659	0.7
150.03174	0.7
150.94839	0.7
165.01938	17.8
166.02318	0.5
175.00388	4.4
178.01186	0.6
178.02739	11.3
179.02122	0.5
192.00473	0.5
193.01434	100.0
193.05025	5.2
194.01787	4.1
213.16805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
66.75902	0.4
69.49125	0.7
69.49525	1.1
71.01363	0.6
73.02979	0.4
75.42074	0.5
85.02956	0.4
88.03287	0.4
89.03976	3.2
98.21893	0.8
98.50486	0.4
100.30929	0.5
106.04245	1.2
107.05054	0.5
112.03231	0.4
117.03468	6.3
121.02956	1.0
133.02983	2.0
134.03755	100.0
135.04057	3.0
137.02448	3.4
139.04042	0.8
147.18251	0.5
149.06093	9.8
165.05644	0.6
178.02736	21.4
179.03148	0.6
193.05070	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	193.0507
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
59.01405	0.9
65.99870	0.3
71.01403	0.9
71.41678	0.3
73.02981	0.4
82.01118	0.2
85.02982	0.6
93.03494	0.9
99.00933	0.4
101.02470	0.7
106.04261	0.8
108.02193	0.5
111.00893	0.6
113.02437	0.3
117.03468	1.9
121.02976	2.5
124.01744	0.3
132.02173	0.6
133.01918	0.5
133.02974	21.2
134.03763	33.2
135.04140	1.0
136.01726	0.6
136.05446	0.3
137.02458	12.1
138.02788	0.4
139.04022	3.6
149.02460	0.9
149.04311	0.4
149.06113	1.7
149.09711	0.4
150.03232	1.5
150.94835	0.7
161.02461	31.9
162.02797	1.0
163.04005	0.3
165.01967	0.5
165.09277	0.4
178.02733	8.2
179.02173	0.7
187.50487	0.3
193.05074	100.0
194.05475	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	194.046
Annotation	1,2-Epoxy-3-(p-Nitrophenoxy)propane
Peak:m/z	Relative Intensity
51.75084	0.5
54.95078	0.5
58.07551	0.5
64.01924	0.5
65.99854	72.8
67.00187	0.7
69.69768	2.0
90.03504	7.4
106.02997	2.1
107.03784	9.1
120.50658	0.5
122.02503	0.4
123.00890	1.8
123.03297	1.4
134.02493	55.4
135.03355	4.3
162.01982	100.0
163.02351	3.1
176.17021	0.5
194.04597	46.6
194.85512	0.4
195.04974	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	195.03
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
57.63768	0.3
59.01364	0.4
59.80120	0.3
65.00320	1.0
75.00871	0.5
80.02667	0.9
91.01900	80.4
92.02240	2.2
96.96055	0.4
102.54765	0.3
107.01443	1.7
108.02206	3.4
135.00894	100.0
136.01544	3.3
137.02492	0.5
150.03232	4.2
152.91809	1.6
153.01950	62.1
154.02304	1.8
160.84207	1.6
163.00388	15.8
164.00690	0.6
165.05594	3.1
167.03542	0.5
167.90451	0.5
176.89540	0.4
180.04326	1.0
181.00215	0.7
194.90619	0.5
194.92804	0.7
195.02994	47.9
195.10147	0.7
195.81036	0.5
196.03448	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	195.0301
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
57.52076	0.4
59.01400	1.2
61.98830	0.7
67.01904	1.7
68.99831	0.7
69.08499	0.5
69.17852	2.8
75.00898	1.1
78.95928	0.5
79.30940	0.5
81.18502	0.4
82.31286	0.5
83.01398	2.6
93.03458	2.4
95.01401	2.8
98.00105	0.6
100.41863	0.5
100.61151	0.5
105.96162	0.5
107.01406	6.2
107.05036	3.2
108.02185	42.7
108.36321	0.5
109.61431	0.5
111.00888	11.7
121.02988	4.2
122.03761	12.0
122.99995	1.1
123.00896	24.1
123.04527	1.4
124.01678	25.0
133.02948	1.0
134.03787	0.7
135.00903	4.0
136.01688	7.3
137.02509	3.6
139.00365	2.9
149.02451	11.2
150.03241	77.2
151.04019	3.3
151.07780	0.5
152.01152	5.0
152.91783	3.5
152.94560	0.6
153.01924	0.6
160.84204	0.5
163.00404	0.7
163.03868	0.5
164.04800	1.9
165.01889	1.4
165.05585	52.6
166.05922	2.1
167.03528	6.3
167.90459	1.3
180.02863	0.7
180.04333	8.1
181.00125	1.5
194.90776	0.8
194.92863	1.7
195.03008	100.0
195.06612	5.0
196.03412	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	195.0511
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
53.42867	1.6
57.03450	5.5
59.01385	30.0
68.94812	1.5
70.55454	3.0
71.01388	12.6
72.99307	5.3
74.20084	1.7
75.00880	100.0
85.02944	9.9
87.00880	34.0
89.02458	10.1
89.09322	1.6
96.97005	2.2
99.00899	19.2
101.02458	3.9
105.01949	26.0
111.00890	3.3
129.01958	43.4
137.71237	1.6
147.03017	10.2
159.02989	6.3
177.04057	11.8
177.94740	1.8
195.05109	68.6
196.05559	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	195.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05991	0.4
69.63945	0.8
69.64333	0.7
83.53579	0.3
98.22675	0.5
108.02183	1.8
122.03751	8.6
123.04539	1.3
150.03236	100.0
151.03564	2.6
165.05580	52.4
166.05927	1.9
180.04295	15.5
181.04680	0.4
195.06624	9.9
196.07063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.12598	0.3
54.01658	0.3
59.01391	1.0
60.28091	0.2
66.03510	0.3
70.93565	0.4
75.00890	0.3
80.02728	0.4
81.03492	0.7
83.05049	0.7
93.03481	1.9
95.01424	0.4
106.04278	0.9
107.01437	1.2
108.02182	6.5
109.02972	2.1
111.50659	0.3
121.02969	0.6
122.03758	1.1
123.00922	2.3
123.04547	2.7
123.05453	0.4
125.02497	0.4
133.03003	0.7
134.03754	5.2
135.00888	0.7
135.04507	0.8
136.01680	6.4
136.04219	0.5
137.02463	8.5
145.03003	0.9
149.02414	0.7
149.06067	0.9
150.03242	8.9
151.00386	1.0
151.03975	1.3
151.07712	0.5
152.04723	0.6
152.91780	3.0
160.84229	1.8
161.02449	0.6
162.03241	3.9
163.04021	3.8
165.01907	2.9
165.05571	5.6
167.07167	0.5
167.90489	0.9
170.92764	0.3
177.05577	2.0
180.04297	100.0
181.00156	0.8
181.04657	3.8
194.90779	0.4
194.92822	1.0
194.95601	0.4
195.06636	35.2
195.81090	0.8
196.06944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01388	5.7
59.81545	0.6
61.98830	3.1
65.94855	0.6
70.30930	1.8
78.95961	0.6
83.05041	0.7
91.05086	0.5
91.16334	0.6
97.06604	0.7
98.22609	0.7
99.98617	0.6
100.80540	0.5
101.27065	0.5
107.05096	0.8
121.03017	0.6
123.00936	0.9
135.00940	1.1
136.01653	0.7
137.02425	0.9
150.03194	3.1
152.91794	6.1
152.94505	2.6
154.44345	0.6
158.84692	1.0
160.84227	54.6
165.01958	1.1
165.05551	2.0
166.90788	0.9
167.90515	2.9
171.22539	0.6
176.89558	1.2
177.12849	5.3
180.04282	1.3
181.00185	1.8
194.90604	2.0
194.92848	2.8
194.95488	1.3
195.02972	1.4
195.04535	1.6
195.13913	100.0
195.81091	21.7
195.91042	0.8
196.12651	0.6
196.14209	3.7
212.93799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
62.02921	0.3
62.95938	0.3
66.25302	0.3
69.66910	0.5
69.67288	0.7
87.39470	0.4
109.06612	4.3
111.08168	3.8
122.03779	0.4
125.09716	0.7
135.11786	0.5
138.06854	3.0
151.11336	0.6
160.84229	5.2
161.57761	0.3
165.12886	0.5
167.14418	7.0
168.14726	0.3
179.10776	5.0
180.11397	0.6
195.13916	100.0
195.64078	0.4
195.81099	1.7
196.14249	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	196.0617
Annotation	N,N-Dihydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.26670	0.3
51.51222	0.2
56.41743	0.2
61.98817	0.4
83.52431	0.3
94.33016	0.2
100.09921	0.3
108.08203	100.0
109.02937	0.4
109.08534	2.9
115.41155	0.2
123.00885	1.0
124.04031	0.8
135.00865	0.4
138.03239	0.3
139.98909	0.3
152.03677	1.3
152.07182	35.0
153.05522	0.3
153.07501	1.1
160.84244	1.4
166.99893	0.7
181.00157	1.1
182.02196	2.1
195.81142	0.7
196.02666	0.6
196.06177	11.0
196.91496	0.3
197.06380	0.4
216.14005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0205
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
54.44574	0.7
59.04953	0.7
61.98828	1.2
64.01915	1.1
65.03967	1.5
69.49429	0.6
70.37236	0.8
77.33362	0.6
81.03489	0.8
81.22339	0.7
93.03455	1.8
95.01410	2.2
107.06145	0.9
109.02962	14.1
115.03996	0.8
116.92872	1.3
121.02980	2.9
123.00895	8.9
123.03280	1.3
126.90522	2.1
137.02460	22.0
138.01999	1.7
138.03252	2.1
139.02715	0.9
140.03557	4.3
150.02003	5.1
151.02739	1.6
153.05621	2.1
160.84235	14.0
161.84248	1.9
162.83931	33.7
166.01483	1.4
166.99945	5.3
167.02229	10.5
167.99388	8.2
178.99893	1.1
180.01785	17.5
181.02048	0.9
182.00627	0.9
182.02211	11.5
183.01714	8.9
196.81200	1.0
197.02060	100.0
197.11801	2.9
197.80811	15.8
198.02345	2.7
198.04042	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	197.0308
Annotation	2,4-Dinitrophenylhydrazine
Peak:m/z	Relative Intensity
55.52215	0.4
56.00442	0.4
58.26480	0.4
58.85292	0.4
59.01384	12.6
59.39395	0.5
66.03520	0.9
66.90750	0.4
69.03462	15.2
69.47047	1.2
70.28648	0.4
71.05027	7.0
74.99402	0.8
78.95912	0.5
80.82437	0.4
82.99909	0.6
83.01412	1.7
95.01414	1.6
96.96023	0.5
97.02966	2.7
98.99415	1.1
99.00921	0.4
101.48731	0.4
109.01423	0.5
109.02988	0.8
115.04028	18.3
117.00539	0.6
121.02957	2.2
123.00903	6.0
123.04533	2.5
123.42129	0.4
125.04602	1.5
126.90539	0.6
127.02532	10.2
127.06161	2.5
128.02673	0.5
129.02287	0.9
129.04097	17.7
130.04207	1.3
137.02420	0.9
138.03249	1.9
141.00482	0.6
151.02528	1.2
152.88609	0.4
153.04092	4.1
153.05574	1.9
155.02028	37.7
156.02139	2.2
166.99872	3.7
167.03537	0.4
167.68582	0.4
167.99397	1.7
169.02061	0.8
169.03593	21.8
170.03760	1.5
171.05154	100.0
172.05302	6.3
173.03069	0.9
182.00624	0.5
182.02217	9.8
182.05942	0.5
183.01697	2.1
197.03076	59.0
197.04544	2.8
197.11853	0.7
198.03148	4.3
212.92911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0821
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
50.07976	1.5
69.03490	1.8
72.99317	1.7
73.02955	10.0
85.31828	1.7
95.01385	4.8
95.87103	1.8
98.03739	2.5
107.06151	2.5
121.02974	15.4
123.00283	1.7
123.00918	17.2
126.90556	2.5
127.67527	1.8
135.08163	5.4
137.02452	2.2
138.03221	7.1
153.05603	9.9
153.09227	100.0
154.09622	4.1
159.25223	1.6
165.27069	1.7
166.99879	15.1
167.99350	10.5
182.02209	32.1
183.01711	12.3
197.04552	11.8
197.08145	2.9
197.11842	10.9
198.04095	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0822
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
54.68845	1.2
69.03495	1.9
73.02959	9.8
95.01409	3.5
98.03750	3.0
109.03015	1.7
111.04497	1.7
111.31585	1.2
121.02996	4.2
123.00906	14.2
125.02375	1.4
126.90516	1.7
135.08144	6.1
138.03258	3.9
141.27806	1.2
153.05591	4.0
153.09232	100.0
154.09604	4.0
160.84291	3.3
162.83925	5.3
166.99879	8.4
167.82602	1.1
167.99374	10.1
176.15442	1.2
178.99904	8.4
182.02242	19.0
183.01668	7.9
186.98282	1.1
197.04579	5.2
197.08167	2.5
197.11890	2.7
197.80856	2.8
198.04021	2.7
198.05670	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01367	1.0
60.87116	0.8
61.98836	2.7
64.25774	0.8
69.84680	1.1
69.85028	2.8
71.05032	3.2
95.01414	2.6
95.05029	0.8
97.06593	12.5
99.08176	3.7
107.06182	0.9
109.02933	1.7
115.04028	1.1
116.92867	1.6
121.02961	2.0
122.03731	2.2
123.00900	10.8
125.09730	1.2
126.03239	1.3
126.90507	2.1
137.02429	1.4
137.09721	2.1
138.03259	1.9
146.32095	0.9
151.11295	1.4
152.06902	0.9
153.01942	0.9
153.05629	1.3
153.12871	100.0
154.13261	2.7
157.05319	0.9
160.84225	11.5
161.84373	1.7
162.83928	32.4
166.99857	6.9
167.99399	11.0
179.00000	1.2
179.10800	20.5
180.85832	1.0
182.00787	0.7
182.02234	15.7
183.01750	11.3
197.02061	3.7
197.04596	3.8
197.08598	0.9
197.11853	9.3
197.15530	2.1
197.80794	13.1
198.04146	2.3
210.90388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40250	0.3
59.01376	0.4
59.02710	0.3
61.98840	5.9
63.62393	0.3
66.03491	100.0
67.03242	0.3
67.03817	1.8
69.59261	1.0
70.02989	2.0
73.02212	0.3
73.02957	0.3
77.40399	0.3
96.99325	1.0
97.02050	0.3
100.07702	3.1
107.88027	0.3
110.02491	28.0
111.02829	0.9
111.04528	0.4
122.03311	0.5
123.00950	0.4
124.77384	0.3
126.09300	0.3
137.09743	0.4
141.60001	0.3
142.84921	0.3
154.01479	28.4
154.08748	0.8
155.01830	0.5
155.06236	0.3
160.84232	13.4
162.83929	39.0
163.83925	0.8
167.99348	4.8
174.42851	0.3
183.01669	5.0
197.80812	28.1
197.90260	0.4
198.00452	6.9
198.04080	1.0
198.07739	0.9
198.80742	0.3
199.00839	0.6
199.17017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56137	0.4
60.03835	0.4
60.13892	0.5
63.41989	0.3
69.04868	0.7
69.05272	2.1
69.96345	0.4
70.02985	59.8
71.01393	2.0
71.03322	0.9
71.05066	0.5
75.54651	0.4
79.95739	0.7
83.05028	2.5
84.04529	0.5
85.24413	0.5
86.50684	0.4
96.99324	33.8
97.99650	0.5
98.21786	0.8
99.08175	1.1
100.07694	100.0
101.06100	2.6
101.07449	0.4
101.08038	1.9
102.71828	0.4
103.44846	0.4
109.35100	0.4
114.02002	2.7
115.00394	0.5
115.67266	0.4
126.09267	5.7
142.64545	0.4
154.08762	26.4
155.09036	0.9
155.10736	0.9
156.41656	0.4
160.84209	1.4
162.83917	4.0
167.99367	5.4
180.63652	0.4
183.01689	6.5
197.80826	1.8
198.04070	1.4
198.07701	1.5
199.09819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34087	4.3
59.01376	9.5
61.98610	3.3
61.98840	41.6
67.01884	5.0
69.17523	14.8
69.17934	10.3
69.59708	4.6
70.81767	3.9
71.05036	4.8
73.67999	4.4
77.72742	4.1
99.00866	14.5
99.08159	7.5
99.09432	3.8
99.92613	4.2
101.78679	3.8
111.00938	6.3
127.93160	43.9
137.09625	4.6
139.93179	5.5
140.53461	4.0
154.95517	29.0
155.10786	9.8
155.87172	10.3
161.84331	5.4
162.83919	94.1
162.85262	5.4
163.83983	17.7
164.83626	82.7
168.99748	9.0
184.02509	7.7
198.80862	8.2
198.90721	9.2
198.94398	6.3
199.05150	41.1
199.09734	5.2
199.13438	33.0
199.17049	11.4
199.80518	100.0
199.85072	4.7
199.98798	5.2
200.01210	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	199.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
59.01377	0.8
65.30270	0.4
68.99817	0.8
69.03465	0.9
70.50423	0.9
71.05035	0.4
71.38034	0.4
72.99306	1.1
73.02951	2.8
84.71723	0.4
85.02953	1.0
94.04826	0.5
96.99326	0.8
98.22501	0.6
109.06622	0.6
112.00406	2.0
119.08677	0.8
130.18590	0.4
131.60277	0.4
135.08171	3.1
137.09741	8.3
139.99928	2.6
155.10796	100.0
156.11140	3.4
157.75398	0.5
158.24115	0.4
163.07663	0.6
181.08636	1.0
184.02153	0.4
199.09782	12.8
199.13515	0.6
199.17020	1.1
200.02036	0.5
200.10164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
58.00598	1.2
59.01387	1.0
59.13678	0.6
65.27742	0.7
67.05536	1.3
68.99790	0.8
69.03465	15.6
69.10953	1.3
69.11355	3.0
71.01384	2.8
72.99314	15.6
73.02962	2.0
105.07109	1.3
107.08675	10.2
109.06587	0.8
111.00791	0.8
112.00400	1.1
114.19975	0.6
119.08700	1.1
123.08186	7.2
125.09729	1.1
127.93169	1.1
133.06628	1.9
135.08188	3.2
135.26297	0.8
137.09749	4.3
137.53716	0.7
139.99911	3.2
151.07648	1.7
153.09254	4.2
154.95576	1.0
155.10803	32.9
156.11134	0.9
163.07646	2.8
169.08740	4.5
169.28714	0.6
181.08736	11.2
197.08246	0.9
199.09778	100.0
200.10220	3.7
204.74521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
62.98257	0.3
69.44360	1.3
73.02959	3.3
78.68291	0.4
83.05012	0.3
84.00108	0.3
85.02983	0.4
109.06435	0.3
120.13032	0.4
135.08185	1.3
137.09740	9.5
154.95430	0.4
155.10791	100.0
156.11134	2.9
190.38025	0.4
199.09785	5.0
199.17175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.02041	0.2
57.03452	0.2
59.01377	0.3
69.11276	1.8
71.05051	0.2
73.02950	3.2
85.02979	0.3
86.10429	0.2
99.00880	0.5
111.00919	0.3
127.93162	0.6
135.08150	1.4
137.09734	10.1
147.14507	0.3
154.95547	0.7
155.10791	100.0
156.11098	3.8
164.83606	0.5
168.99832	0.3
181.08627	0.3
199.09769	5.5
199.13356	0.4
199.17126	0.6
199.80473	0.4
200.10098	0.3
210.19159	0.2
210.22867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.8
59.01372	0.9
69.03461	1.4
69.10288	1.6
69.10713	1.2
72.99316	2.6
73.02950	2.9
77.56122	0.3
95.05026	0.5
98.21866	0.6
102.14217	0.3
107.08684	1.2
109.06629	0.5
119.08675	0.9
121.25117	0.4
135.08180	2.4
137.09740	8.3
138.10051	0.6
153.09238	0.6
155.10800	100.0
156.11136	3.4
163.07632	0.9
178.83273	0.5
181.08655	1.8
199.09789	18.1
200.10170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
59.01375	2.4
59.66878	1.6
61.98837	3.2
92.99844	2.2
99.00874	7.5
99.08134	4.8
108.04117	1.8
111.00896	3.1
127.11297	3.6
127.93179	15.2
137.09752	2.7
139.93120	2.7
143.19402	1.9
154.95511	11.3
155.10776	8.1
162.83929	19.8
164.83623	17.5
168.99644	2.9
181.12357	2.1
184.02007	5.3
197.11736	1.9
198.94370	1.8
199.09721	4.8
199.13405	100.0
199.17113	5.2
199.80557	13.4
200.01222	2.5
200.13753	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	200.0355
Annotation	Cyclamate
Peak:m/z	Relative Intensity
58.52888	0.4
59.01384	8.3
61.98830	1.0
71.44780	0.4
78.94164	0.4
98.14546	0.4
104.05072	0.4
116.05057	0.6
117.03458	0.4
121.02927	0.5
128.05089	0.6
130.03006	1.9
132.04521	1.0
141.93213	1.2
144.04578	2.6
145.03006	2.4
155.03766	1.3
156.04587	6.4
157.03566	0.5
157.12462	0.5
157.97711	0.7
162.82591	0.8
162.83928	10.8
164.83633	10.8
171.03221	0.6
172.04051	6.0
173.02396	0.7
199.02762	3.6
199.80499	6.1
199.85287	0.5
200.03545	100.0
201.03990	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	201.0193
Annotation	Bergaptol
Peak:m/z	Relative Intensity
51.42185	0.1
59.01381	2.8
61.98847	0.5
65.00328	0.1
65.39507	0.1
71.40554	0.2
84.21252	0.1
89.03987	0.5
99.92593	0.4
101.03996	0.4
105.03443	0.1
116.92886	0.5
117.03473	6.8
118.03814	0.3
118.94202	0.2
119.05021	1.0
120.05334	0.1
129.03493	0.9
135.04527	0.3
136.30511	0.1
141.93254	0.4
145.02960	11.6
146.03288	0.4
147.04456	0.2
157.02925	1.4
157.06581	0.1
163.04019	7.3
163.83972	0.3
164.04352	0.3
164.83603	1.7
165.83577	0.2
166.83337	0.4
173.02448	17.6
174.02826	0.6
189.01889	0.3
200.80560	0.2
201.01944	100.0
201.80211	0.4
202.00392	0.2
202.02280	4.5
202.06300	0.1
208.70308	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	201.0194
Annotation	Bergaptol
Peak:m/z	Relative Intensity
59.01388	13.7
61.98824	0.2
71.01398	0.2
71.22050	0.2
71.44685	0.2
72.84079	0.2
89.03967	0.4
91.75220	0.2
92.96192	0.2
99.92629	1.1
101.03997	0.3
115.09450	0.3
116.92947	0.2
117.03487	6.8
119.05016	0.8
129.03474	0.4
135.04544	0.4
139.11223	0.2
141.93211	1.6
145.02971	11.0
146.03323	0.4
157.02995	1.0
159.01523	0.3
163.04031	5.3
164.83653	0.5
173.02460	15.8
174.02708	0.5
198.55504	0.2
201.01958	100.0
201.11316	0.8
202.02316	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	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01705	0.6
106.75027	0.3
110.84229	0.3
113.04552	0.2
124.66700	0.3
143.46774	0.3
157.03596	5.5
159.01550	1.7
184.37546	0.3
200.69440	0.3
201.02579	11.7
202.02698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01718	0.5
66.89891	0.3
69.64158	0.3
70.75994	0.4
133.51588	0.4
157.03581	6.1
157.07735	0.6
158.03838	0.6
159.01508	2.5
162.45032	0.3
173.29990	0.3
201.02565	10.4
202.02829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71631	0.3
54.39478	0.2
59.01384	100.0
60.01727	0.8
70.76704	0.4
76.73164	0.2
88.04042	0.5
96.75370	0.3
113.04621	0.6
113.98355	0.3
116.03162	0.3
141.00471	0.4
142.39349	0.2
152.30060	0.3
157.03580	5.9
159.01511	1.8
182.92796	0.3
201.02574	9.4
201.04463	0.5
201.12346	0.3
202.02773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0558
Annotation	2-Napthyloxyacetic acid
Peak:m/z	Relative Intensity
50.09466	0.5
50.25258	0.5
52.70214	0.5
55.45866	0.5
57.03431	0.5
58.87469	0.4
59.01382	13.9
63.00253	0.4
63.49990	0.4
69.04672	1.7
69.05096	1.5
71.01388	0.9
72.99307	0.9
73.02972	0.6
84.79047	0.5
87.04520	1.2
93.03461	0.6
97.06588	0.5
98.22624	1.2
111.08158	1.8
115.05545	2.4
117.03438	0.8
117.07110	0.5
125.09721	0.4
127.05547	0.6
129.07126	1.5
130.04272	3.7
131.05025	1.8
134.03690	0.8
139.07675	1.5
143.05054	1.3
144.05777	0.6
145.02968	1.4
145.05522	0.6
145.06612	9.0
146.03796	0.8
154.04376	0.5
155.05054	5.9
155.07109	0.6
156.05811	1.9
157.06607	6.4
157.08672	3.0
158.03746	22.8
159.04529	32.1
160.05128	2.1
163.03983	0.7
171.04518	3.5
172.03802	0.8
172.05310	12.2
173.02437	1.7
173.06090	34.4
174.06432	1.7
182.03751	11.1
183.04520	46.0
184.05063	2.5
186.03220	1.9
187.04007	0.7
198.24509	0.5
199.04053	5.2
200.04779	4.4
201.05586	100.0
201.11389	2.1
202.06079	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	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03441	2.3
59.01385	15.9
69.03457	1.8
69.29344	2.9
71.05015	1.2
72.99318	33.1
83.05043	0.8
83.47842	0.6
85.06581	0.7
94.55144	0.5
97.06583	0.7
99.92590	0.7
107.08711	3.1
109.06551	0.6
109.10236	3.1
121.10247	2.0
125.09725	5.4
125.28958	0.5
127.11292	2.4
135.08199	0.9
137.09712	2.4
139.11278	4.2
140.87982	0.5
141.93217	0.8
145.02925	0.6
155.10803	11.9
157.03517	0.9
157.06624	0.7
159.01495	1.0
165.09145	1.4
179.62581	0.5
183.10280	48.1
184.10643	2.0
201.02400	1.6
201.11343	100.0
202.11720	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	201.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
57.58407	0.4
59.01383	100.0
60.01721	0.9
69.28427	1.9
71.05036	0.3
72.99325	0.6
77.91868	0.3
81.07102	1.8
87.04548	0.3
94.27564	0.3
97.06603	0.7
98.22684	0.6
99.92622	0.5
107.05022	0.4
111.08157	1.1
115.37980	0.3
123.07344	0.6
123.08167	6.2
134.03687	0.4
134.70047	0.3
139.07640	0.9
141.09242	1.6
144.13373	0.5
150.26749	0.3
155.05025	0.6
155.07076	0.5
157.03578	0.8
157.06624	0.5
157.08685	1.1
158.03740	1.0
159.04520	1.3
172.05325	0.5
173.06099	1.3
182.03745	0.4
183.04532	1.6
183.06717	0.6
201.02454	1.5
201.05569	4.2
201.07573	1.2
201.11333	16.6
202.08777	0.6
202.11658	0.7
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	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01384	100.0
60.01719	1.0
69.16443	2.2
79.07615	0.3
81.07102	2.0
99.42744	0.4
109.13781	0.3
110.72250	0.3
123.08183	5.9
127.10066	0.3
141.09229	1.6
157.03549	0.7
183.10254	0.5
186.03191	0.8
201.02530	1.0
201.05545	1.2
201.11333	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	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03449	6.7
59.01387	21.5
70.75061	0.9
71.05029	0.6
79.01289	0.5
82.88301	0.5
94.71524	0.6
99.92627	1.3
111.08168	5.4
137.09756	2.4
139.11311	100.0
140.11613	4.0
141.93280	2.2
146.78195	0.5
157.03520	0.7
157.06557	0.7
157.12370	1.6
159.01549	0.6
183.10297	40.4
184.10635	1.8
191.75700	0.5
192.84453	0.5
201.02539	2.0
201.11359	84.0
202.11693	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	201.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40053	0.7
52.28292	0.7
52.52404	0.6
57.03458	1.4
59.01381	7.9
69.03462	1.4
71.01395	0.7
71.05013	1.2
72.99316	36.5
79.22268	0.7
80.02663	0.6
83.05024	1.5
85.06606	0.8
87.04516	1.0
95.05040	0.7
99.08148	1.0
99.77103	0.7
107.08672	3.2
109.10228	4.6
121.10255	1.6
125.09731	4.9
127.11314	1.9
135.08147	1.7
137.09727	2.4
139.11290	4.6
155.10802	10.7
156.11150	1.0
165.09187	1.4
183.10280	54.1
184.10616	1.9
192.98672	0.8
201.02599	0.9
201.11339	100.0
202.11707	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	202.0511
Annotation	Anibine
Peak:m/z	Relative Intensity
59.01385	4.3
60.01700	0.4
61.80727	0.3
69.13512	0.5
69.13915	2.0
79.04004	0.3
98.21865	0.5
98.50000	0.3
99.92606	1.1
101.81876	0.4
130.06671	0.4
131.05054	3.0
132.98198	0.4
134.11127	0.4
140.05075	3.1
141.03433	0.7
141.93652	1.5
143.38490	0.3
143.92798	0.7
157.05336	3.7
158.06128	100.0
159.06488	4.0
160.97722	0.7
174.05742	0.4
174.99245	2.2
178.62059	0.4
202.05122	26.1
202.96262	0.3
202.98660	0.8
203.05400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0876
Annotation	Indolebutyric acid
Peak:m/z	Relative Intensity
51.41684	1.3
59.01390	28.8
63.59609	1.3
68.01932	1.2
70.12997	3.6
71.01372	1.7
91.05540	8.0
99.92583	2.9
102.34488	1.2
105.07137	3.6
115.05611	1.4
116.05108	1.7
117.07119	5.0
119.05025	13.7
129.03497	2.4
129.07129	3.3
130.04260	12.4
130.79774	1.3
131.05046	12.7
141.07123	32.0
141.93602	3.1
143.05046	3.3
144.04582	7.7
145.02942	1.4
146.06128	10.9
147.04538	17.5
156.08206	83.9
157.06602	14.4
157.08553	3.2
159.04555	1.5
159.08186	46.2
160.04088	2.7
160.08521	1.6
172.07716	10.0
174.01923	1.4
174.09250	12.7
174.99203	2.0
184.07701	18.3
185.06116	1.9
202.04752	3.2
202.08760	100.0
203.03433	1.4
203.07156	8.4
203.08931	2.3
203.13020	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	203.0715
Annotation	3-Butylidene-7-hydroxyphthalide
Peak:m/z	Relative Intensity
59.01385	68.4
60.01712	2.2
61.98828	2.0
66.47007	1.4
67.01889	4.4
69.03464	1.6
70.81125	2.6
71.01381	1.4
75.87213	1.4
90.97111	1.2
97.02995	1.6
103.91994	1.6
104.97744	1.5
107.05050	1.7
107.79378	1.4
115.05498	1.7
116.05018	1.4
117.07105	4.0
119.05009	3.2
121.06600	1.6
129.07076	2.3
130.04236	3.7
130.94391	2.1
131.05040	9.3
131.08704	13.1
132.98196	4.6
133.06592	2.9
135.04533	2.4
141.07118	67.3
142.07404	2.5
143.05046	38.7
144.05827	20.1
145.06625	9.1
147.04517	2.3
156.05780	1.9
157.05350	2.7
157.06598	38.5
158.03760	1.9
158.07266	1.9
159.03410	1.8
159.04579	8.1
159.08171	100.0
160.04063	1.7
160.05275	4.7
160.08504	3.9
160.97728	8.3
161.06107	4.1
162.03253	2.1
173.06068	2.3
174.99258	26.5
175.04010	1.8
175.07664	8.9
185.06129	6.5
188.04832	9.2
202.94183	2.3
202.98674	5.3
203.07155	95.5
204.02994	2.2
204.07436	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	203.0715
Annotation	3-Butylidene-7-hydroxyphthalide
Peak:m/z	Relative Intensity
54.52781	0.8
57.03445	2.0
59.01383	39.2
61.98807	1.4
64.50175	0.9
66.05769	0.9
69.03472	2.6
70.36453	2.2
71.01385	1.2
73.37775	0.8
75.00867	1.7
81.03445	2.8
92.02698	1.1
93.03481	4.6
95.01408	1.0
95.05054	1.1
97.02948	3.4
104.97794	1.2
106.04165	1.0
107.05048	3.0
109.02973	1.5
112.98824	3.0
115.05539	1.1
116.05084	2.4
117.07122	1.5
119.05013	5.9
121.02975	2.1
121.06590	3.8
123.04534	4.2
129.07147	0.9
130.04233	2.0
131.05046	6.2
131.08632	0.9
132.02168	1.0
132.98206	2.9
133.02983	1.5
133.06599	16.6
135.04555	1.9
140.98351	1.3
141.07132	2.7
143.05038	31.0
144.05849	14.0
145.02960	1.5
145.06485	0.9
146.03761	3.1
147.04539	3.5
156.05893	1.1
157.06596	20.4
158.07031	1.1
159.04591	6.2
159.08170	46.8
160.04030	10.9
160.05318	11.5
160.08487	2.9
160.97694	6.4
161.06094	42.9
162.06419	2.0
173.02400	1.1
173.06137	1.5
174.03238	7.0
174.99252	11.9
175.07637	9.0
184.05269	3.3
185.06094	20.1
186.06271	1.0
188.04819	6.9
196.98203	1.0
199.96884	0.9
202.98750	4.6
203.07152	100.0
204.03108	1.5
204.07596	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	203.0716
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
55.01870	0.6
57.03453	0.7
59.01385	9.7
70.75784	0.9
83.01392	2.4
97.02937	1.7
99.08180	2.3
107.05062	0.8
115.05553	0.8
117.07120	1.1
119.05009	3.4
121.06596	2.2
129.07152	1.5
130.04240	1.7
131.05052	4.0
131.08675	1.1
133.06648	4.1
141.07111	2.9
142.04231	2.4
143.05043	9.6
144.05843	2.0
145.02907	1.8
146.03770	2.2
147.04564	3.1
147.08167	1.1
156.05824	2.5
157.06607	18.8
158.07213	0.9
159.04578	6.0
159.08176	59.6
160.05301	8.4
160.08507	2.1
161.06073	9.0
167.05086	1.0
173.06123	1.8
174.99281	3.2
175.07669	7.3
176.03557	0.7
185.04454	1.3
185.06105	22.9
185.11853	0.7
186.06503	0.8
188.04823	13.5
201.05592	0.9
202.06308	0.9
203.07162	100.0
203.12877	14.8
204.03107	1.1
204.07419	4.3
204.13086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55542	0.4
59.01384	14.6
63.87932	0.4
64.07737	0.4
70.98473	0.7
73.47733	0.4
79.46769	0.4
115.05548	0.6
117.07111	0.8
119.05057	0.6
131.05037	2.0
131.08681	19.3
132.98196	0.6
133.06633	0.8
141.07117	100.0
142.07437	4.6
143.05052	5.0
144.05847	2.1
145.06537	0.8
157.06609	12.4
159.04597	2.3
159.08170	54.7
160.08493	1.8
160.97682	1.8
161.06091	0.9
161.09735	0.9
174.99243	3.4
175.07634	1.5
185.06108	5.8
188.04787	1.3
191.97800	0.5
202.98695	1.0
203.07158	31.6
203.10884	1.5
204.07410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0716
Annotation	3-Butylidene-7-hydroxyphthalide
Peak:m/z	Relative Intensity
53.03260	0.4
55.77748	0.5
59.01385	7.2
69.50215	2.1
72.18205	0.5
104.87183	0.5
111.12598	0.5
115.05580	0.8
117.07179	1.2
131.05049	2.0
131.08678	20.1
133.06604	1.2
141.07120	100.0
142.07471	3.5
143.05003	5.0
144.05788	2.2
145.06543	0.6
157.06606	14.5
158.07098	0.6
159.04552	1.8
159.08173	52.7
160.05299	0.7
160.08527	1.9
161.06126	0.8
173.06165	0.6
175.07712	1.3
185.06120	4.8
190.84431	0.5
203.07169	27.2
204.07486	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	203.0717
Annotation	3-Butylidene-7-hydroxyphthalide
Peak:m/z	Relative Intensity
59.01389	19.2
69.44370	2.6
72.93858	0.5
73.55804	0.5
90.64243	0.6
93.60422	0.6
99.08178	1.1
101.72921	0.6
115.05541	0.7
117.07152	0.8
129.07159	0.7
131.02959	0.5
131.05099	0.8
131.08687	20.8
132.09019	0.6
132.98158	0.7
133.06593	1.2
141.07126	100.0
142.06448	0.8
142.07436	4.0
143.05022	2.0
144.05861	1.2
145.02922	0.7
147.04620	0.8
157.06612	10.4
159.04549	2.2
159.08180	47.7
160.08511	2.0
167.14568	0.5
174.99240	1.6
175.03979	0.8
175.07654	1.2
185.06096	5.4
188.04872	0.6
203.07167	23.4
203.12822	1.6
204.07448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
52.24143	0.4
53.89149	0.5
59.01371	1.3
70.77979	0.4
72.00915	18.2
74.02483	37.5
116.05075	100.0
117.05398	2.6
129.05861	1.6
130.06654	2.8
132.08278	0.8
142.06635	27.2
143.06999	1.1
157.07678	0.7
159.09290	18.3
167.02328	0.5
174.99213	0.7
177.60841	0.5
186.05585	4.5
203.08278	60.2
204.02994	2.5
204.08559	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	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
56.74364	0.6
57.30620	0.6
57.48205	0.6
59.01378	2.1
59.15768	0.6
59.40174	0.6
64.11111	0.8
68.34065	0.8
69.64265	2.7
72.00912	18.9
74.02477	37.7
88.75552	0.7
94.01907	0.7
116.05069	100.0
117.05424	2.6
129.05836	1.3
130.06630	2.6
142.06630	25.1
145.71782	0.7
159.09293	15.8
186.05652	4.0
187.22189	0.8
203.08286	50.9
204.08658	1.5
220.90326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99403	0.7
59.01373	3.4
69.89555	1.2
69.89892	1.5
72.00919	15.6
74.02483	38.7
75.28758	0.6
86.62371	0.6
87.40629	0.6
87.41553	0.7
94.33813	0.6
98.22511	0.7
108.42408	0.7
116.05077	100.0
117.05415	2.8
129.05827	1.5
130.06656	3.0
142.06631	26.7
143.06981	0.8
149.33507	0.7
152.51219	0.6
159.09299	14.8
160.09633	0.8
174.99222	0.9
185.06068	0.6
186.05626	4.1
192.61127	0.8
203.08302	50.4
204.08556	2.4
206.01241	0.7
207.29243	0.7
223.53325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.35540	1.0
69.03444	1.6
69.50459	4.8
74.27953	0.9
77.22121	0.9
99.08161	3.3
103.26649	1.0
113.02468	2.7
131.05013	1.0
131.08673	12.7
141.07121	53.4
142.07474	2.9
143.05077	3.3
143.07124	4.9
145.02986	2.5
145.28342	1.0
147.04506	2.3
157.06622	6.6
157.08665	1.1
159.04565	6.9
159.08179	30.2
160.97682	2.8
161.09702	2.3
172.05244	1.2
173.06068	1.7
174.99231	6.1
175.07504	1.4
175.08853	1.2
185.06104	3.8
188.04787	5.1
202.98810	2.9
203.03549	1.9
203.07172	19.5
203.09052	1.9
203.10753	3.8
203.12756	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	203.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.35540	1.0
69.03444	1.6
69.50459	4.8
74.27953	0.9
77.22121	0.9
99.08161	3.3
103.26649	1.0
113.02468	2.7
131.05013	1.0
131.08673	12.7
141.07121	53.4
142.07474	2.9
143.05077	3.3
143.07124	4.9
145.02986	2.5
145.28342	1.0
147.04506	2.3
157.06622	6.6
157.08665	1.1
159.04565	6.9
159.08179	30.2
160.97682	2.8
161.09702	2.3
172.05244	1.2
173.06068	1.7
174.99231	6.1
175.07504	1.4
175.08853	1.2
185.06104	3.8
188.04787	5.1
202.98810	2.9
203.03549	1.9
203.07172	19.5
203.09052	1.9
203.10753	3.8
203.12756	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	203.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59518	0.3
57.03460	3.5
59.01384	3.8
69.11281	2.1
71.05035	0.7
72.99332	0.4
75.29533	0.3
85.06630	0.4
98.22665	0.5
99.08189	1.2
104.97816	0.4
111.08184	1.9
113.09744	4.7
116.05051	0.7
123.08162	1.2
127.11314	5.9
130.79515	0.3
137.09763	1.1
139.11293	1.9
141.07065	0.4
141.09238	2.5
142.06630	0.5
146.02518	0.3
147.03282	0.4
155.10789	9.1
157.12358	47.6
158.06116	0.8
158.12721	1.3
159.49820	0.3
160.04044	0.7
160.97653	1.0
161.01199	0.6
174.99242	2.2
185.11818	1.0
186.05687	0.5
201.11349	0.7
202.98715	0.5
203.12894	100.0
204.03067	1.6
204.06711	0.9
204.13245	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	203.1291
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
59.01384	0.8
62.69116	0.4
69.81663	1.2
70.20264	0.3
72.99321	0.4
78.36390	0.3
83.28757	0.4
88.42629	0.3
98.22590	0.5
99.08156	0.6
109.15855	0.4
111.39909	0.4
125.09726	0.9
127.11311	15.6
128.11661	0.5
137.09700	0.9
139.11340	0.6
145.18240	0.4
155.10809	7.4
157.12358	56.3
158.12686	1.6
185.11816	1.3
201.11374	1.0
203.12900	100.0
204.03122	0.8
204.13228	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	204.0303
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
59.01382	1.1
64.18545	0.4
65.99854	0.8
68.99808	0.5
69.20557	1.0
69.20959	2.0
71.01408	0.4
80.37108	0.4
88.51543	0.5
89.02709	0.6
98.21852	1.0
105.02236	1.4
115.00368	1.0
117.02222	4.6
117.03467	0.7
118.03043	2.6
120.00912	0.5
120.04559	2.7
123.04505	1.1
128.11638	1.8
131.03795	1.8
132.04578	3.3
133.01715	22.9
133.02847	1.2
145.01711	4.6
146.02492	23.4
147.03285	15.5
148.02901	0.8
148.04063	10.4
156.11124	1.2
157.12338	1.2
158.02473	2.6
158.12691	8.6
160.04047	18.6
161.01201	33.8
162.01558	0.7
173.01236	2.4
174.01971	3.5
175.02707	2.6
176.03542	21.0
177.03903	0.5
191.02153	0.4
204.03029	100.0
204.13220	13.6
205.03386	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	204.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98826	0.5
62.25327	0.2
69.13143	0.4
69.13557	0.9
83.05720	0.2
98.22655	0.4
107.28569	0.2
130.02966	2.2
139.57750	0.2
148.04060	46.7
149.04424	1.1
159.57651	0.2
161.97218	0.6
174.01979	15.5
175.02319	0.8
176.03555	0.2
184.40117	0.2
189.04326	100.0
190.04680	4.0
203.98322	0.4
204.02925	0.6
204.06664	19.0
205.06946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0879
Annotation	N-Acetyl-L-fucosamine
Peak:m/z	Relative Intensity
55.01867	0.8
57.03444	4.6
58.02981	49.2
59.01385	10.9
59.03300	0.7
60.01715	0.9
61.98834	3.7
67.01898	0.6
68.05042	0.6
69.03461	6.0
69.85708	0.6
70.03775	1.1
70.72254	0.9
71.01387	14.4
71.05028	1.1
72.01707	0.7
72.04540	2.8
72.99317	10.3
73.02952	1.8
74.02481	1.9
75.00874	5.0
81.03442	1.0
82.02995	0.9
82.06624	0.7
83.01385	3.4
83.05006	0.6
84.04553	7.5
85.02959	20.3
86.06121	1.6
86.90708	0.5
87.00883	8.5
87.04511	0.7
88.04036	1.6
89.02462	0.9
96.04556	0.8
97.02947	2.6
97.06573	0.7
98.02496	2.2
98.03278	1.6
98.06133	8.7
99.00883	3.0
99.04550	1.3
100.04053	17.5
100.07689	2.0
101.01884	0.6
101.02462	3.3
102.05656	0.7
103.00390	0.8
104.92782	0.8
108.04556	2.6
110.06129	3.3
111.00909	5.0
112.07671	1.7
112.98833	0.8
114.05609	7.7
114.09243	5.9
115.00388	7.8
115.04004	2.0
116.07195	18.7
117.01973	1.2
117.07530	0.7
124.07700	5.4
124.98827	1.3
125.02474	3.7
127.00364	0.8
128.07179	4.1
129.01907	1.7
130.05074	0.7
130.08765	1.1
131.03737	1.9
132.04570	16.1
135.04509	1.9
138.05638	4.9
140.07191	26.5
142.02231	0.7
142.08745	2.9
142.99884	1.8
143.03523	3.1
144.06671	1.4
145.01418	2.5
154.99850	2.1
156.06650	1.0
158.06096	1.7
158.08237	46.7
159.08537	1.9
160.04083	1.6
160.09784	2.5
161.04572	0.7
162.07735	4.9
168.06671	4.0
184.06154	0.9
186.07729	29.8
187.02515	0.9
187.08044	0.7
202.07230	2.3
204.02509	2.3
204.08778	100.0
205.03552	2.0
205.07317	1.1
205.09161	3.3
205.15968	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.9
57.03465	4.4
58.02988	2.6
59.01387	96.6
67.01888	3.5
68.99820	12.6
69.47472	8.3
71.01389	97.8
72.99314	37.5
73.02958	13.7
75.00882	40.9
80.96487	2.3
83.01398	17.0
85.02942	11.9
86.52203	1.8
87.00350	2.4
87.00884	48.9
88.98804	2.1
89.02460	9.4
95.43920	1.8
96.99316	8.1
97.45802	1.8
99.00884	41.6
101.02441	9.7
103.00388	6.7
111.00890	22.3
112.98810	16.7
115.00390	100.0
117.01955	13.0
118.03023	2.1
122.48913	2.1
124.98845	18.1
125.02398	2.5
127.00407	12.7
129.01927	14.1
136.24213	2.3
142.99887	23.3
145.01414	13.4
154.99890	21.1
156.50954	2.4
157.01416	2.8
157.75954	1.9
159.08444	2.4
173.00932	4.9
175.02505	9.0
205.03458	4.6
205.07153	4.3
205.09079	4.1
205.15977	3.6
214.93570	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	205.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00335	0.4
51.74606	0.3
59.01390	0.6
63.56243	0.3
65.99857	1.2
69.44194	1.0
71.01374	0.5
76.01928	6.0
80.07713	0.3
82.41484	0.3
90.03504	0.9
92.01440	0.7
112.48574	0.3
117.07151	0.3
118.03001	12.7
119.01413	0.9
120.00921	15.2
123.04230	0.3
129.74422	0.3
136.04103	1.0
145.01718	0.4
146.02493	28.8
147.02951	1.1
160.04065	1.2
162.01944	0.6
163.02657	0.4
164.03548	96.8
165.03899	2.7
173.01192	0.8
174.02000	0.5
175.02727	0.4
179.05446	0.5
190.01463	18.2
191.01839	0.7
205.03807	100.0
205.15895	0.8
206.04150	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	205.0508
Annotation	ISOEUGENITOL
Peak:m/z	Relative Intensity
54.65214	0.3
59.01385	2.9
60.33945	0.4
61.98827	0.3
65.00346	0.3
68.99853	0.8
71.01389	2.8
71.07018	0.4
72.99335	1.3
73.02975	0.7
75.00896	1.4
78.71653	0.3
85.79383	0.3
87.00894	1.5
96.99324	0.5
99.00917	1.1
106.04242	1.9
109.02991	0.4
115.00372	3.9
117.03480	5.2
117.70360	0.4
118.04289	0.6
121.02975	0.9
122.03769	1.2
124.98865	0.4
127.00420	0.4
129.02003	0.6
129.03482	5.3
134.03743	1.2
142.99892	0.7
145.01440	0.5
145.02980	2.1
146.03738	2.9
147.03236	0.4
161.02460	11.2
161.06128	0.4
162.03233	12.0
163.03609	0.4
164.07159	0.4
165.19560	0.3
173.02435	3.4
190.02733	100.0
190.99951	0.5
191.03040	3.3
194.02220	1.4
205.05067	70.9
205.15977	1.4
206.05478	3.0
206.08363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67138	0.4
59.01369	1.1
62.41550	0.3
62.49955	0.3
66.64631	0.3
71.01381	0.9
72.99317	0.5
75.00856	0.4
82.14068	0.3
83.01357	0.3
87.00886	0.7
98.22640	1.0
115.00378	1.4
117.03433	0.3
118.04256	16.0
119.04559	0.3
120.46255	0.3
133.06593	0.5
134.03749	4.3
145.02968	0.5
146.03754	0.3
150.03165	0.3
161.02556	0.6
161.06017	0.5
161.09665	0.4
162.03221	12.4
164.03421	0.4
177.01950	0.4
189.01903	1.9
190.02722	100.0
191.00078	0.7
191.03094	4.4
205.05064	21.7
205.12404	0.5
205.16023	1.7
206.05359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
56.20864	0.4
61.98811	1.4
62.46347	0.4
63.87629	0.4
65.00314	0.4
69.03148	0.4
69.03461	5.5
69.16209	2.4
79.01891	2.4
81.03431	1.5
91.01904	2.8
97.02959	3.3
103.73049	0.3
107.01399	16.0
119.01402	4.2
125.02475	0.9
135.00897	28.4
136.01205	0.5
147.00919	2.6
149.02415	0.8
150.03290	1.8
163.00389	41.6
164.00697	1.6
173.83655	0.4
175.00407	0.9
177.01973	1.0
190.99878	100.0
192.00214	3.5
205.01424	1.3
206.02226	18.6
206.04233	0.9
206.08278	0.4
207.02698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02332	0.5
57.29392	0.4
59.01325	0.4
61.98776	0.9
63.02333	0.5
65.00289	0.7
67.01851	0.5
69.03389	4.6
79.01828	1.7
81.03395	1.4
91.01894	2.3
93.03443	0.6
94.04980	0.4
95.01370	0.6
97.02954	2.5
107.01394	14.3
114.48032	0.4
119.01392	4.3
119.60356	0.3
125.02384	1.2
135.00897	24.0
136.01175	0.4
147.00838	1.8
149.02414	1.1
150.02089	0.4
150.03195	1.8
157.10167	0.4
158.07156	0.4
163.00386	35.4
163.07597	0.7
164.00734	0.7
164.07146	0.9
175.00369	0.8
177.01932	1.9
178.02716	0.7
178.73412	0.4
190.99875	100.0
192.00484	7.1
192.04286	1.8
205.01419	1.7
206.02232	19.8
206.08110	0.4
207.02937	2.8
207.06651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02302	0.8
61.98724	4.4
61.99069	0.9
66.18591	0.5
69.03351	3.6
70.04588	0.7
70.04897	0.9
79.01791	1.8
81.03374	1.0
81.26313	0.5
85.00356	1.1
89.99732	0.6
91.01811	2.1
97.02857	2.1
97.03432	0.5
98.22540	0.8
98.69067	0.5
107.01396	13.8
107.02072	0.5
119.01391	4.2
125.02373	1.3
125.87267	0.6
135.00893	24.1
135.87643	0.5
136.01233	0.8
147.00883	2.9
149.02365	0.7
150.03200	1.2
162.01996	0.9
163.00380	38.7
164.00703	1.3
175.00322	1.0
177.01875	1.0
190.99867	100.0
192.00253	3.1
195.01096	0.5
205.01442	1.3
206.02232	17.4
206.04279	1.2
206.08246	0.5
206.99466	0.5
207.02859	0.7
207.13969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02183	0.3
51.02401	0.8
52.78847	0.2
61.98841	1.1
63.02384	0.3
65.00337	0.6
67.01874	0.2
69.03463	5.6
70.69043	0.4
79.01889	2.8
81.03463	1.8
91.01903	2.7
95.01382	0.6
97.02962	3.0
107.01401	15.6
108.01756	0.5
119.01405	5.2
121.03006	0.4
123.00940	0.4
125.02461	1.0
125.87338	0.4
126.87248	0.2
135.00897	30.2
136.01247	0.9
145.24382	0.2
147.00883	1.7
149.02458	0.7
150.03258	1.6
163.00385	42.2
164.00723	1.7
175.00424	0.6
177.01921	1.2
178.02853	0.3
190.99873	100.0
192.00258	3.7
205.01488	1.1
206.02225	17.3
207.02637	0.8
222.25883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
53.67315	0.3
61.02211	0.2
61.75015	0.2
61.98494	0.2
61.98829	1.0
63.49963	0.3
65.00324	0.4
69.03458	5.3
69.08057	0.3
69.56693	0.8
79.01881	1.8
81.03455	1.5
91.01896	2.7
92.81180	0.2
93.30551	0.3
95.01406	0.4
97.02946	3.1
107.01395	17.2
108.01735	0.4
119.01394	5.4
121.02955	0.3
125.02444	1.1
133.04227	0.3
135.00896	27.7
136.01233	0.7
141.86922	0.2
147.00893	2.8
149.02438	0.7
150.03255	1.6
157.97736	0.2
163.00380	44.5
164.00670	1.3
175.00352	1.0
177.01903	1.1
178.02731	0.3
180.85335	0.2
190.99866	100.0
192.00215	4.2
192.04248	0.3
205.01439	1.1
205.94267	0.3
206.02211	18.6
207.02609	1.2
217.48215	0.3
218.35675	0.2
226.94298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29019	0.7
58.02980	38.5
65.99857	0.8
70.02991	12.9
72.00914	5.8
91.05540	24.1
98.22660	2.1
103.05547	1.2
110.32702	0.7
127.91844	0.7
134.02348	1.1
135.04558	1.0
147.04538	37.9
148.04962	0.8
162.01889	1.4
164.07178	100.0
165.07512	3.9
206.05359	1.2
206.08247	29.2
207.08521	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	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
54.82762	0.7
56.54108	0.7
58.02982	40.9
59.36401	0.8
61.09238	0.7
69.09627	3.2
69.10050	2.7
70.02985	11.8
72.00909	6.8
75.69732	0.8
87.42348	0.7
91.05544	29.7
92.05862	0.8
97.45884	0.8
103.05534	1.9
147.04544	38.0
162.01883	1.0
162.09247	1.5
164.07181	100.0
165.07475	3.1
175.73154	0.7
189.19934	0.8
206.08244	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13020	0.7
58.02978	40.5
64.02329	0.8
65.49281	0.7
69.46152	3.0
70.02979	14.7
72.00919	7.1
79.57052	0.7
90.03499	1.0
91.05544	29.5
103.05528	1.6
118.02990	4.0
135.04544	0.7
135.28641	0.7
146.02496	4.4
147.03287	11.6
147.04526	43.7
162.01891	0.7
162.09261	1.6
164.07176	100.0
165.07536	2.4
174.01967	7.4
180.13647	0.7
191.02298	0.8
192.00656	9.3
206.04591	14.4
206.08223	30.7
206.10181	1.6
207.02914	2.0
207.08510	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	207.03
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	0.9
59.03304	0.3
63.19142	0.3
63.78775	0.3
66.18295	0.2
68.75195	0.2
69.03474	0.3
69.20464	1.5
71.97439	0.3
79.01908	0.3
91.05550	0.4
92.05898	0.5
95.01384	0.5
97.02985	0.3
108.02180	4.2
120.02190	2.3
123.00883	2.6
135.04556	0.4
136.01669	1.3
147.00934	0.4
147.04526	0.5
148.04872	1.2
149.02443	0.3
164.01183	5.5
164.07108	0.5
165.01443	0.3
165.07533	2.7
175.00426	1.5
177.01970	0.5
192.00661	100.0
193.01006	2.7
207.02998	25.2
207.08549	1.1
208.03252	0.9
214.14067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0299
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
53.18317	0.3
59.01385	4.0
63.02398	5.5
65.00314	1.9
69.03447	0.5
71.40849	0.4
81.03438	0.6
83.01396	1.2
89.03968	0.8
93.03471	2.5
95.01399	0.6
95.05036	0.7
97.02959	3.3
99.00897	2.7
105.03457	0.5
107.01399	2.6
107.05032	0.6
108.02175	1.5
109.02967	1.0
117.03481	1.4
118.65060	0.4
119.05038	3.3
121.02965	6.4
122.03751	0.9
123.00901	1.0
133.02956	1.3
134.03758	2.8
135.00972	0.5
135.04524	1.8
135.99309	0.4
136.01680	2.5
137.02429	0.8
139.03996	1.7
145.02931	2.8
146.03758	6.3
147.04549	3.4
148.01726	0.8
149.02463	2.3
151.00401	1.2
151.04048	1.0
159.04492	0.9
161.02466	2.1
161.06071	1.6
161.09550	0.4
163.04002	1.7
164.01160	1.2
165.01938	1.0
165.05533	2.6
170.31300	0.4
171.08170	0.8
173.06049	0.9
174.06874	8.9
177.01955	3.6
177.09200	1.7
178.09991	0.5
179.03375	0.4
188.08501	0.4
189.09218	6.7
190.02748	3.9
192.00670	5.3
192.04236	0.7
193.01016	0.5
205.08702	2.4
207.02994	100.0
207.10222	3.0
208.03322	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	207.0665
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
55.09853	0.6
59.01358	2.8
59.10019	0.8
61.98834	1.5
64.04274	0.6
68.77191	0.6
70.91366	1.1
71.01411	0.7
77.37300	0.6
80.91685	0.7
85.02972	0.6
88.91424	0.7
91.01890	0.8
91.12648	0.7
95.05045	1.1
105.03466	4.3
106.76299	0.6
109.06595	1.2
124.20175	0.7
133.02971	37.1
134.03235	1.2
135.00897	0.8
149.02460	2.1
163.05780	0.7
163.11324	0.7
164.04796	2.7
173.76709	0.7
177.01955	12.5
177.09253	2.3
192.04301	100.0
192.11566	3.0
193.04604	3.4
206.78918	1.1
207.03040	1.2
207.06633	16.1
207.09990	1.4
207.13919	28.8
224.10440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
57.46292	0.4
57.92889	0.5
59.01392	0.9
61.68010	0.5
68.56931	0.5
69.31627	2.1
71.15058	0.5
71.53121	0.5
77.03992	0.9
93.03468	3.5
95.05039	3.7
95.53542	0.4
105.03497	1.2
118.64944	0.5
120.67242	0.5
121.02974	6.0
123.00941	0.5
123.04546	7.4
135.04506	1.1
136.01704	0.6
147.04543	0.8
148.27039	0.5
149.02452	21.2
150.02838	0.7
163.00371	0.9
163.03931	1.0
165.05638	0.6
177.01939	100.0
178.02287	3.5
191.03511	1.7
192.00784	2.7
192.04295	92.0
193.01347	1.2
193.04662	3.2
207.03072	2.6
207.06624	19.6
207.10271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	99.5
70.51755	4.1
72.99321	11.1
81.82863	1.9
98.22540	1.9
103.05516	2.5
119.05021	13.8
147.04538	100.0
148.04875	2.8
165.05589	91.4
166.05849	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	207.1028
Annotation	4-(4'-Hydroxy-3'-methylbutoxy)benzaldehyde
Peak:m/z	Relative Intensity
57.01899	1.7
59.01380	7.2
70.12305	4.7
70.77008	2.5
75.42530	2.1
78.29352	2.0
89.23947	1.7
93.03461	7.3
98.22008	3.1
108.02174	14.7
110.67470	2.3
119.05006	2.6
121.02973	47.0
122.03751	8.3
123.04559	3.9
134.03760	33.5
135.04526	2.6
136.01669	24.4
145.02959	27.0
146.03758	71.0
149.02472	5.8
150.03326	4.8
151.04008	6.6
159.04497	12.7
160.05194	2.6
161.06059	14.5
162.06860	2.9
163.07674	3.8
163.11287	2.8
164.03467	2.1
171.08185	6.9
173.06114	7.4
174.06865	100.0
175.07198	3.5
177.01947	6.9
177.09198	23.2
178.09947	4.9
179.10728	2.9
189.09230	85.8
190.09529	2.8
192.00598	10.1
192.04265	6.9
205.08690	33.3
207.02968	7.9
207.06802	4.9
207.10268	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.103
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.10159	1.6
57.03456	1.8
59.01387	13.8
61.98820	2.9
75.00860	2.6
78.91911	2.5
79.05558	3.0
80.02737	2.7
80.91719	1.8
81.03472	6.1
91.01881	3.2
93.03465	67.6
95.05041	20.9
107.05048	17.9
109.02978	1.6
109.06606	4.4
120.05750	1.8
121.02943	1.9
121.06627	3.7
133.02998	2.0
135.00885	1.7
135.04550	9.1
145.10320	3.5
161.02412	1.6
162.94800	1.6
163.00443	2.3
163.11307	100.0
164.03458	1.8
164.11620	4.9
166.51924	1.9
177.01965	3.9
178.99989	2.9
179.03473	4.0
192.04268	5.4
207.02982	3.7
207.06577	10.5
207.10265	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45536	1.2
55.01873	1.5
57.03452	14.0
59.01385	18.8
59.99778	1.1
68.99815	1.6
70.04272	2.0
70.04633	1.1
71.01389	22.6
72.99294	6.7
73.02990	1.1
75.00875	3.8
77.22753	1.1
78.95909	4.9
83.01390	1.9
84.02155	2.2
85.02957	100.0
87.00867	6.2
89.02460	8.7
89.02921	1.4
91.83216	1.0
98.22466	1.5
99.00872	1.5
101.02432	3.0
110.98534	1.6
111.00860	5.3
111.62616	1.0
114.54181	1.0
115.00352	1.6
118.95729	1.5
129.01962	11.0
131.03497	2.1
133.01456	7.5
147.02991	3.4
159.02954	1.4
164.95288	1.1
168.01451	1.2
173.00998	1.6
191.01976	18.6
191.05603	2.1
208.95306	3.3
209.03052	13.6
209.06651	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	209.0457
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
56.76422	0.3
59.01379	1.0
65.07621	0.3
65.51334	0.3
66.01109	0.3
79.95737	0.7
80.08998	0.3
91.01943	0.7
119.19255	0.3
120.02187	12.8
121.02969	100.0
122.03287	2.0
133.02966	2.0
134.64934	0.4
136.01656	0.5
149.02403	0.5
150.03232	0.8
165.05946	0.7
194.02287	0.8
194.05975	0.3
209.04518	9.7
209.11891	1.0
210.04990	0.4
228.09569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0456
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01387	0.4
66.01136	0.5
70.67448	0.4
70.67789	0.5
71.01449	0.3
73.02959	1.1
91.01913	1.0
93.03507	0.4
108.02203	0.4
108.42029	0.3
110.90363	0.3
120.02184	12.8
121.02968	100.0
122.03291	2.3
123.04578	0.4
136.01730	0.6
137.02516	0.3
150.67920	0.3
151.02771	0.4
151.03946	0.5
165.09149	0.4
205.31926	0.3
209.04512	9.9
209.07776	0.5
215.77637	0.3
224.34016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0668
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
53.53253	1.0
55.01875	2.7
57.03452	29.3
58.00590	1.4
59.01385	29.4
59.89960	1.1
63.05827	1.2
65.79685	1.1
69.03445	1.7
69.86608	1.1
71.01385	13.9
72.99300	1.4
73.02956	4.5
73.40917	1.1
74.54788	1.1
75.00877	1.4
78.46885	1.2
78.95881	1.4
83.01398	5.1
84.02172	5.1
85.02959	100.0
87.00886	29.3
89.02436	7.0
97.02950	2.6
97.22607	1.2
98.07217	1.0
99.00929	5.4
100.48560	1.0
101.02459	4.8
111.00908	7.3
113.02457	1.8
115.04023	2.4
121.02987	1.6
129.01953	42.2
131.03528	1.7
133.01408	2.8
137.52550	1.1
141.01956	4.0
153.72314	1.0
159.03020	10.9
166.92406	2.0
177.04227	1.1
186.43188	1.2
191.02069	1.6
191.05542	1.2
195.87270	1.2
209.06685	87.4
210.06941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
57.03455	2.0
58.36562	1.1
59.01385	20.3
61.98839	6.4
63.76482	1.3
64.72269	1.1
65.00341	1.4
69.03457	18.4
69.10320	3.7
69.10740	5.1
71.05009	2.2
78.91908	1.2
80.91714	1.4
83.05016	3.7
92.99837	2.1
93.03448	2.3
94.02975	2.2
95.05031	1.8
96.96014	14.1
97.06612	2.3
98.21898	2.8
108.05849	1.8
109.06590	2.0
111.08154	2.9
118.94185	1.3
120.02184	10.7
121.02966	100.0
122.03261	1.5
124.04040	3.6
135.08226	1.6
147.11760	1.3
151.02727	3.9
153.09195	5.5
163.11301	3.5
164.98273	1.4
165.09157	2.3
165.12859	17.4
166.01439	1.3
173.09880	1.7
181.12364	17.5
184.95622	1.4
191.10805	18.3
194.02315	1.3
205.20491	1.3
209.00848	1.3
209.04483	5.4
209.05884	4.2
209.08835	7.6
209.11836	63.9
210.12236	2.9
225.30507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.01492	0.5
57.03450	3.0
59.01382	100.0
60.01714	0.6
69.54267	0.5
70.45596	0.5
80.02700	0.5
81.03472	2.0
97.06593	2.6
109.06589	3.8
118.36552	0.4
120.02193	1.8
121.02966	12.5
165.12836	3.9
209.04601	0.7
209.11835	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	211.025
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
59.01380	0.8
63.02396	4.3
65.00331	19.8
69.01320	0.6
69.45918	2.6
83.01393	7.3
95.01370	0.7
107.01399	25.5
123.04537	1.1
148.01671	1.3
151.00381	100.0
152.00745	1.8
153.05638	0.8
163.04024	1.4
164.01190	0.7
169.01421	1.7
178.99861	6.4
181.05038	1.0
196.03889	0.8
210.06839	4.5
211.02496	16.3
211.05658	0.9
211.07681	14.0
211.09627	0.9
211.13391	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	211.0612
Annotation	Danielone
Peak:m/z	Relative Intensity
50.16343	1.9
51.71954	1.6
57.82906	1.6
59.01384	9.2
72.99306	3.0
78.95912	7.8
81.03486	1.8
81.28088	1.6
85.86403	1.5
93.03465	1.8
95.01410	3.5
95.05051	3.6
96.96025	3.0
105.88125	1.5
107.05069	3.5
108.02189	11.5
109.02962	14.7
112.22811	1.7
114.05630	1.5
120.02185	14.5
123.00890	2.6
123.04531	15.3
124.01678	3.8
136.01660	2.9
137.02460	5.0
138.03275	4.3
143.00240	5.7
148.01674	86.0
149.02138	2.9
151.04054	1.8
152.01135	8.7
153.05586	81.0
154.05956	2.5
163.04019	91.5
164.04379	2.7
165.01929	2.3
166.02701	9.5
166.91035	1.7
167.03384	2.6
168.94168	1.8
169.63045	1.6
172.24086	1.6
174.90448	1.6
181.05067	100.0
182.05321	2.4
182.99841	2.8
185.01346	14.2
196.03734	9.1
211.00557	2.4
211.02567	6.2
211.04292	1.9
211.06111	31.0
211.13335	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	211.0615
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
59.01364	3.6
61.14447	0.8
68.67980	0.7
69.65410	1.9
70.30990	0.6
74.83479	1.0
76.57386	0.8
78.95873	2.1
87.11251	0.9
93.03445	0.9
95.01356	2.1
96.96001	3.3
104.05064	0.8
105.05405	2.2
107.05027	2.3
108.02180	9.5
109.02962	16.1
120.02184	16.9
121.03001	1.9
123.00883	2.4
123.04524	7.9
124.01659	1.5
125.06074	0.9
129.05562	1.9
134.03664	1.4
135.00751	0.8
135.04491	1.6
136.01643	2.8
137.02437	2.3
138.03217	3.3
148.01678	92.1
149.02153	2.9
149.04373	5.4
151.04021	0.8
152.01112	1.3
153.05586	90.0
154.05898	1.8
163.04019	91.2
164.04373	2.9
165.01921	2.3
166.02711	9.6
166.04941	1.0
166.91109	1.0
167.05443	7.5
179.03503	1.1
181.05075	100.0
182.05437	2.0
196.03804	9.8
208.77922	0.8
211.06107	30.7
211.13373	3.5
211.17209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
57.03439	1.2
59.01389	5.3
60.99298	1.5
72.02754	0.9
81.03463	1.4
82.69234	0.9
83.05026	2.0
95.01392	1.2
97.06597	4.9
109.02975	0.8
121.02936	1.4
123.04530	1.1
139.07697	1.3
139.11372	0.9
143.10986	0.8
148.01729	1.8
149.13374	3.4
153.05617	1.3
162.19673	0.9
163.04103	1.0
165.12849	2.6
167.10786	1.7
167.14391	6.1
175.11221	1.0
193.12317	7.0
208.18306	0.8
209.11835	1.8
211.13405	100.0
212.13750	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	211.1341
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
59.01382	13.9
61.98834	2.4
62.95561	1.4
70.99527	1.9
71.01384	1.7
72.21867	1.3
75.20283	1.3
78.34446	1.4
78.95921	1.6
83.05013	1.8
95.01378	2.2
102.10891	1.5
109.31971	1.2
123.00909	1.8
123.04530	2.6
125.02386	1.6
146.35762	1.4
149.13376	4.9
153.05583	1.8
163.11298	5.7
175.11264	1.4
181.05147	1.5
181.12360	37.4
183.14012	2.0
193.12370	39.6
211.06155	1.9
211.13414	100.0
212.13731	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.24624	1.4
56.19276	1.4
59.01376	1.8
61.98837	9.2
70.20146	1.8
70.20450	1.9
85.00443	3.6
91.84613	1.4
95.01399	1.9
102.68728	1.5
123.00938	2.0
123.04561	2.3
141.86824	4.6
152.91730	2.8
167.10786	6.4
167.14424	2.0
183.13919	13.2
193.12346	4.1
210.95108	2.4
211.13422	100.0
212.13844	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	211.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
61.98838	1.1
69.03476	0.8
85.00433	1.2
93.85996	0.5
95.01391	0.7
123.04501	0.5
124.04038	0.6
153.05649	0.5
155.10760	0.6
165.12761	0.6
167.06209	0.6
167.10794	1.2
167.14391	1.8
183.13919	14.9
193.12341	4.3
211.13417	100.0
212.13737	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.43951	0.4
50.95477	0.4
52.33931	0.6
61.98843	2.7
64.86852	0.5
68.65638	0.4
69.56788	0.4
69.68486	1.6
71.49559	0.4
81.07088	1.3
85.00455	1.4
92.91203	0.4
93.33914	0.4
95.01405	1.0
97.06585	4.3
98.22547	0.9
109.06569	1.6
111.08174	2.0
123.00895	0.8
125.09744	0.5
139.04036	1.4
154.06389	4.5
155.07150	0.8
167.14449	5.4
168.53012	0.5
183.13916	1.5
186.05367	1.4
195.10298	3.2
205.09810	0.5
210.95076	0.6
211.13426	100.0
212.13794	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	213.0558
Annotation	4,5'-Dimethylangelicin
Peak:m/z	Relative Intensity
59.01388	1.2
62.08710	0.8
65.99873	0.7
69.29891	3.2
75.51566	0.7
76.24574	0.6
86.11979	0.6
97.02959	1.4
103.26627	0.7
107.44704	0.7
108.02183	100.0
109.02525	2.4
112.50270	0.6
157.06612	4.7
158.03734	3.4
159.04529	1.0
169.06586	2.3
170.73755	0.7
171.04538	2.8
183.13899	2.7
185.06099	8.1
195.13843	2.2
197.99156	5.2
212.04771	3.3
213.01482	2.6
213.05553	33.7
213.14952	10.9
213.18486	1.0
214.05807	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	213.077
Annotation	GEIR-2
Peak:m/z	Relative Intensity
52.19056	0.3
56.87258	0.3
56.98997	0.3
59.01381	24.8
69.03449	1.1
69.56182	1.5
71.01392	0.6
74.84469	0.3
79.41337	0.3
79.92788	0.4
81.03447	0.6
83.05087	0.3
89.75504	0.3
93.18774	0.3
107.05032	3.4
109.06597	100.0
110.06931	2.3
111.04588	0.3
129.40172	0.3
141.05576	0.5
151.07639	1.4
153.05588	36.7
154.05916	1.1
169.08728	1.4
195.06638	1.3
213.07692	28.8
213.18596	0.5
214.08073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1135
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
61.63620	1.5
71.04684	1.7
73.02901	1.7
93.03480	2.5
112.55031	1.3
116.41279	1.4
123.05647	1.9
151.11317	13.9
169.06606	1.6
169.12358	100.0
170.12674	2.8
177.90358	1.5
183.13918	4.7
195.10304	2.3
195.13959	2.7
197.99196	5.3
199.01479	1.7
213.01534	2.8
213.09380	2.2
213.11386	15.9
213.14957	23.4
213.18443	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	213.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84525	0.3
59.01369	0.7
70.79844	0.5
74.32385	0.4
75.25160	0.4
77.41750	0.4
85.48804	0.4
87.04524	0.6
88.42819	0.4
93.03461	0.7
117.25377	0.4
153.92928	0.4
169.12263	0.9
177.12868	0.6
183.13913	27.6
184.02434	0.4
184.14243	0.9
194.99385	0.6
195.13919	22.8
196.14293	1.1
197.99207	1.5
201.95081	0.5
213.01506	0.9
213.14983	100.0
214.15311	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	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01381	0.8
67.37861	0.4
67.43380	0.4
70.76137	0.8
118.39343	0.4
140.98256	0.4
167.14363	0.4
177.12762	0.5
177.90288	0.5
183.13914	28.6
184.14215	0.5
186.32896	0.4
195.13928	24.2
196.14198	1.0
197.99216	1.2
211.13443	0.9
213.01724	0.6
213.14983	100.0
214.15298	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.03738	0.5
62.12167	0.4
66.55405	0.4
70.52058	0.7
76.75317	0.5
112.20587	0.5
118.92571	0.5
183.13914	29.9
184.14204	1.1
195.13918	26.2
196.14198	1.5
211.13452	0.9
211.89587	0.5
213.14980	100.0
214.15318	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	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.53418	0.5
59.01393	0.8
69.45583	1.0
69.45969	1.3
98.22645	1.2
103.37907	0.5
118.32761	0.5
123.05681	0.7
128.81189	0.6
141.68436	0.6
153.17284	0.6
177.12888	0.8
183.13922	29.9
184.14302	0.9
195.13922	23.8
196.14227	0.7
197.99228	1.6
211.13426	0.5
213.14989	100.0
214.15398	3.6
226.40988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46226	1.2
50.76922	1.1
56.25480	1.2
59.01377	4.8
59.96223	1.1
61.67596	1.4
69.11125	1.2
69.54375	1.1
85.02925	1.1
89.02446	1.8
99.00873	3.2
103.01497	3.2
108.45108	1.1
116.92870	2.4
135.80687	1.2
144.00935	17.4
171.02005	3.2
172.00488	2.1
179.49277	1.3
215.01010	100.0
215.12906	2.2
215.99382	1.5
216.01286	3.2
229.50415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38921	0.7
64.08553	0.6
71.30877	1.0
72.74821	0.6
117.02187	2.3
132.04543	1.0
133.01683	0.8
144.00951	5.5
145.01717	8.3
160.04056	1.9
162.02025	1.1
163.02774	47.4
163.09787	0.6
164.03128	1.9
171.02066	1.3
171.97194	0.8
173.01192	43.7
174.01495	1.2
178.05103	15.8
178.06685	0.8
187.99951	2.3
188.03552	100.0
189.03859	3.5
200.02295	17.5
215.01022	35.1
215.04572	16.5
216.01379	1.5
216.04959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1654
Annotation	11-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
55.20293	0.5
59.01385	100.0
62.28259	0.6
67.02666	0.5
71.39737	0.6
73.05181	0.5
88.14414	0.5
128.82053	0.5
135.86876	0.5
144.00920	3.7
171.02057	0.9
172.31348	0.5
177.97081	0.5
198.95314	0.5
215.01015	20.2
215.16531	17.8
215.18500	1.0
216.01410	1.0
216.16675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35678	0.4
59.01385	100.0
69.65841	0.9
69.66233	0.7
77.11353	0.4
85.32856	0.4
86.68642	0.4
88.04045	0.5
90.97134	0.9
108.25332	0.4
132.98227	2.8
143.45302	0.4
169.88412	0.4
174.99260	30.3
175.99629	0.7
217.00299	19.7
218.00583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1034
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.37503	0.6
51.73381	0.6
57.03450	0.7
59.01389	5.9
60.01723	2.0
61.98848	0.8
62.17735	0.7
69.13062	0.7
71.01396	10.4
71.05025	21.3
71.41612	0.6
72.00937	1.0
72.35765	0.7
72.99295	0.8
83.01396	0.8
85.02971	3.9
88.04049	100.0
89.04379	1.1
96.04557	1.4
98.02406	0.7
99.04530	7.3
99.47794	0.6
100.00897	1.2
100.91833	0.6
101.00496	1.3
108.16886	0.7
116.03539	0.9
116.07160	2.4
120.28985	0.6
125.02447	1.5
128.03532	1.9
130.01881	1.2
131.01590	1.0
133.01421	1.2
145.06190	2.9
146.08243	47.6
157.07718	2.4
159.02969	0.7
167.89287	0.8
175.04013	0.6
175.08842	1.1
175.96823	0.8
175.99643	1.2
218.10342	25.7
219.03143	1.2
219.10648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06928	0.5
59.01381	4.7
60.01720	1.8
62.61995	0.5
69.10917	1.2
69.11320	2.0
71.01389	11.3
71.05026	20.1
71.07873	0.5
72.59256	0.4
88.04048	100.0
89.04384	0.7
98.21876	1.0
99.04527	5.9
100.81327	0.4
116.03547	0.6
116.07192	2.1
120.51648	0.4
129.05602	1.0
146.08244	51.4
147.08611	0.6
154.46710	0.4
175.99615	1.0
216.38782	0.5
218.00677	1.1
218.10345	23.1
219.06616	0.8
219.10701	0.8
231.51717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01378	7.5
60.01719	2.7
63.67211	0.4
69.59216	1.9
71.01388	11.0
71.05025	19.5
75.99969	0.5
88.04050	100.0
89.04375	1.1
94.55023	0.5
98.21876	1.0
98.64552	0.5
99.04526	5.5
114.36777	0.5
116.07189	2.9
129.05574	0.7
146.08247	48.4
147.08675	0.7
168.21640	0.5
174.99164	0.8
175.99640	1.6
218.00671	1.9
218.10349	24.9
219.06467	0.6
219.10750	0.7
219.17505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0776
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.01898	1.2
59.01384	34.6
61.01804	7.8
61.98834	16.4
71.01379	1.5
71.42281	1.5
71.61373	1.1
72.00912	9.5
73.02959	1.6
74.02481	41.8
75.00865	1.6
76.12914	1.2
83.05086	1.3
86.02470	5.2
88.04024	1.7
89.04433	1.5
90.04439	1.5
92.05081	1.8
98.95577	1.4
103.62620	1.4
118.06646	3.8
119.05061	1.9
130.06659	3.2
132.04570	100.0
133.04970	2.4
144.04572	63.3
145.04941	1.6
147.04538	4.2
148.01735	1.6
157.06491	1.8
157.07736	28.9
158.06143	8.9
158.08093	1.7
162.05626	1.7
174.99283	2.4
175.04044	5.0
175.08800	23.2
176.07195	1.6
176.98665	1.3
176.99828	2.5
191.03535	2.5
201.06732	7.0
219.00676	6.2
219.03142	4.9
219.07777	87.7
219.12218	2.5
219.17551	57.8
220.08072	2.3
220.09921	1.6
220.17937	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	220.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10305	0.2
53.70705	0.2
56.32771	0.2
59.01384	1.0
60.83462	0.2
61.98836	0.7
69.48376	1.2
76.01934	1.1
118.03001	3.0
119.01383	0.3
120.00928	2.8
122.69833	0.3
124.45824	0.3
133.01826	0.3
133.02988	0.7
146.02492	21.2
147.02892	0.8
160.04034	0.6
161.04845	9.8
161.06227	0.3
162.02020	0.6
162.05174	0.3
164.03551	35.8
165.03862	0.9
173.01151	0.3
176.07176	6.1
177.00691	0.4
187.99901	0.5
189.00601	0.4
190.01468	13.2
191.01772	0.5
205.03813	100.0
206.04164	3.9
220.02922	0.4
220.06157	9.7
220.17883	0.3
221.06425	0.5
221.11838	0.3
240.01666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73209	0.5
55.01885	6.7
59.01383	7.7
65.23244	0.6
67.91267	0.6
69.34526	2.7
104.02686	1.1
105.03479	0.8
115.05508	0.6
117.03480	1.0
122.03720	1.3
131.05034	6.0
132.02165	1.0
133.02974	3.1
133.06599	59.5
134.03725	1.1
134.06935	1.1
137.02399	0.8
145.02977	0.7
149.02457	1.5
149.06105	1.3
150.03232	3.9
159.04509	8.3
160.01704	1.8
161.02490	1.7
163.00377	2.2
176.01201	1.8
177.01938	28.9
177.05424	3.3
178.02559	2.1
178.98524	1.4
189.01944	15.9
190.99870	1.5
192.05989	0.6
203.03519	1.9
205.01422	44.0
206.02205	100.0
207.02580	3.7
221.04564	41.6
221.08159	2.0
222.04852	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85369	0.2
59.01384	2.1
68.99828	0.3
69.61034	0.6
69.61411	0.6
76.34740	0.2
98.21912	0.3
104.02692	7.8
104.03358	0.5
105.03484	0.4
116.02683	0.6
117.03493	0.4
120.02209	1.2
121.02975	0.5
122.03730	0.4
123.00838	0.4
132.02191	0.9
133.02985	1.2
134.03752	3.5
145.02965	0.6
148.01685	6.9
148.19792	0.3
149.02473	1.4
150.03242	6.4
160.01715	0.4
161.02472	5.4
162.03232	1.2
174.21758	0.3
176.01158	11.6
177.01936	7.3
177.05576	0.7
178.02733	15.5
178.98599	0.3
179.03093	0.4
188.01193	2.2
189.01921	3.4
191.03505	1.6
193.05042	0.4
204.00598	0.3
205.01427	5.4
206.02216	100.0
207.02554	3.4
221.04567	48.7
222.04939	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	221.0668
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
55.01878	3.1
57.03455	1.7
59.01386	100.0
62.82832	0.7
64.16400	0.7
69.03471	1.9
69.17661	2.8
69.18081	2.5
70.52348	0.6
71.01386	17.3
73.02954	11.5
75.00887	2.0
80.94408	0.8
83.01408	3.4
85.02963	7.7
89.02445	4.3
95.01431	1.4
95.67802	0.7
98.22647	1.4
99.00883	1.2
101.02456	13.7
108.25668	0.8
113.02460	16.4
121.06647	0.9
125.02493	2.0
126.45689	0.8
127.72094	0.7
131.03549	1.8
131.05060	1.8
133.03015	1.7
133.06613	20.8
135.04596	1.0
148.04054	0.7
149.06078	3.7
159.03195	1.5
159.04547	2.7
161.02536	1.7
161.04570	2.4
161.09756	3.0
177.05606	3.0
177.09254	1.2
178.98558	1.1
182.73389	0.7
188.04778	0.8
189.04428	1.9
190.99954	3.0
203.10791	4.6
206.02324	1.0
206.05928	3.3
221.04733	2.3
221.08339	1.9
221.11923	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	221.0821
Annotation	Methyl-4-(butyryloxy)benzoate
Peak:m/z	Relative Intensity
57.03459	1.8
59.01387	1.1
69.03465	0.6
71.01383	0.3
71.05025	0.5
71.41026	0.2
78.59226	0.2
80.02683	0.2
81.03468	2.4
85.02977	0.5
89.03964	0.2
93.03455	1.1
95.01382	0.4
95.05040	4.1
97.02961	6.3
98.03737	0.5
99.04549	1.1
105.03482	0.7
107.05093	0.3
108.02197	1.4
109.02962	19.8
110.03282	0.6
113.06110	0.9
117.03487	2.4
121.02980	2.8
122.03754	11.1
123.04539	100.0
124.01691	0.3
124.04861	2.4
133.02982	0.9
133.06635	0.6
134.03798	0.3
135.04538	5.3
137.02498	0.6
145.02968	6.4
146.03667	0.2
147.08084	0.2
149.02440	0.5
149.06075	0.7
150.02023	0.4
150.03238	9.4
151.04025	10.3
154.02725	0.6
159.04480	0.2
160.05330	0.3
161.02441	0.4
161.06097	0.8
162.03204	0.4
163.04030	6.7
164.04817	1.1
166.09335	0.2
175.07671	1.3
177.01942	0.9
177.05579	0.7
179.07170	0.6
185.06078	0.3
188.04845	0.4
203.07164	4.4
206.02226	0.3
221.08206	88.1
222.08574	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	221.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.7
56.78662	0.8
57.03452	7.0
58.00611	1.2
58.28253	0.8
59.01383	100.0
59.48376	0.8
61.98832	1.0
69.53207	4.4
71.01387	48.8
71.05045	1.0
72.99314	2.9
73.02951	24.1
75.00867	2.1
78.95915	1.6
83.01392	14.5
83.12807	1.0
84.02160	0.9
85.02958	32.9
87.00886	2.4
89.02457	6.9
89.86799	0.9
95.01402	4.8
96.35445	0.9
97.02956	1.0
99.00884	8.5
101.02449	57.0
111.00890	1.9
113.02456	21.7
113.03257	1.1
119.03531	1.0
121.02968	1.3
123.04534	1.1
125.02512	1.1
129.01959	2.1
134.03755	1.3
143.03532	0.9
145.02930	1.4
147.04558	3.3
148.05302	1.0
149.06148	1.1
159.03017	2.9
159.04498	1.9
161.00359	1.6
161.04584	7.8
164.07167	1.0
176.04683	1.4
177.01961	0.9
177.05586	1.6
178.98511	6.0
185.06096	2.4
191.07147	1.9
192.81833	1.0
203.07138	5.8
220.99559	6.0
221.04532	1.6
221.08304	1.4
221.10220	9.0
221.13795	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	221.1548
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
58.06704	0.1
59.01390	0.2
66.49043	0.1
69.77494	0.4
70.32002	0.1
127.07672	0.1
148.05327	0.3
149.05975	0.4
164.08432	1.8
165.09190	0.3
182.22192	0.1
205.12335	1.7
205.14218	0.1
206.12692	1.1
207.13861	0.4
220.12509	0.1
220.14708	3.7
221.15466	100.0
222.15814	4.8
235.13481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.025
Annotation	2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione
Peak:m/z	Relative Intensity
58.99606	0.8
59.01387	5.5
61.98840	1.1
68.50833	0.6
68.99837	0.8
71.01385	2.1
73.02958	1.3
73.36871	0.6
74.99085	1.8
84.79240	0.6
85.02952	1.7
91.01900	1.0
93.03453	1.4
95.01410	0.7
96.96037	1.2
97.02976	0.8
101.02468	3.5
108.02200	3.5
113.02516	1.2
119.05019	4.6
121.02972	1.2
123.00925	0.8
123.04536	0.9
124.01643	2.2
134.03642	0.7
135.04567	1.7
136.00722	1.0
136.01691	12.1
137.02440	0.7
147.00897	0.9
147.04573	0.9
149.01114	0.9
149.02452	1.7
151.04031	0.7
152.01192	3.7
161.04630	0.7
163.00380	2.5
163.04070	1.3
164.01169	100.0
165.01630	2.4
178.99893	0.9
179.03516	4.7
180.00623	2.2
181.05112	1.2
193.01472	3.6
194.99365	3.3
195.02974	0.8
199.56367	0.6
202.92966	0.6
208.00174	17.2
208.03694	4.1
223.02583	25.4
223.06203	2.3
223.13303	1.0
224.02841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
50.36493	0.1
59.01381	0.5
59.87472	0.1
59.96728	1.7
61.98830	1.1
70.27169	0.2
71.01392	0.2
73.01143	0.1
73.02966	0.2
74.99080	16.8
75.96242	0.3
75.99027	0.2
85.02966	0.1
93.00142	8.1
98.94199	0.1
101.02463	0.4
113.02468	0.1
147.54181	0.1
149.00969	12.8
150.01038	0.4
150.98878	0.9
159.01663	0.1
181.59610	0.1
193.01474	0.1
206.99724	5.8
207.99823	0.2
223.02847	100.0
223.13255	0.7
224.02892	5.0
225.00806	0.3
241.03864	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	223.0613
Annotation	Calaminthone
Peak:m/z	Relative Intensity
54.09706	0.5
59.01385	15.3
69.30547	1.6
69.30949	1.4
70.52641	0.5
71.01379	1.7
72.99314	3.3
73.02941	1.0
74.99069	1.0
75.90264	0.6
84.86608	0.7
85.02951	1.4
93.03463	2.1
101.02460	1.8
107.05039	0.9
108.02208	0.6
111.00825	0.6
119.05038	100.0
120.05367	2.7
121.02978	1.5
122.03847	0.7
123.04533	0.7
134.03758	1.0
135.04539	16.1
145.02888	0.6
146.03726	1.9
147.04541	7.5
149.01172	0.5
149.02452	3.8
160.05244	0.6
161.04575	0.6
163.04021	30.3
164.01166	1.1
164.04713	2.5
172.05177	0.5
179.03445	0.6
179.07204	0.5
181.05084	39.7
182.05403	1.0
193.01474	1.4
193.08763	1.0
205.08664	1.0
208.00064	0.7
208.03835	2.9
208.07439	0.5
223.02765	4.6
223.06198	1.9
223.09766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0613
Annotation	Sinapate
Peak:m/z	Relative Intensity
53.00300	1.1
55.83886	1.1
58.77923	1.2
59.01376	3.2
69.12970	7.6
93.03461	14.5
98.21878	2.8
121.02966	29.1
135.04523	11.0
149.02451	66.1
151.02281	1.4
152.01169	11.4
159.03917	1.2
163.04037	16.5
164.04816	53.5
165.01944	14.2
165.05173	1.6
167.03523	2.1
169.05128	6.0
179.07133	11.4
193.01424	71.6
194.01741	1.8
207.02933	1.7
208.03778	100.0
209.04111	4.4
223.02809	3.1
223.06129	44.7
224.06509	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	223.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	13.1
57.03442	6.0
58.00591	2.9
58.99619	15.2
59.01386	100.0
61.98826	3.8
62.92221	2.2
70.68314	3.0
71.01389	82.1
72.99312	3.9
73.02958	38.0
73.03381	2.8
74.99081	3.9
75.00871	4.1
75.57707	2.0
78.95938	2.4
80.96528	4.3
83.01392	19.1
85.02962	50.9
87.00890	4.8
87.02751	25.3
89.02450	7.1
95.01400	9.0
98.83218	2.0
99.00887	15.3
101.02458	94.6
111.00876	3.0
113.02471	37.6
117.03125	2.0
117.03835	21.4
119.05025	16.7
125.02454	3.8
128.03479	2.0
135.04871	31.7
143.03531	3.2
159.02992	6.6
161.04558	24.7
161.06041	8.3
163.04002	5.6
181.05057	7.5
208.03711	4.3
223.02930	16.8
223.06290	15.3
223.08295	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	223.0977
Annotation	Diplodiol
Peak:m/z	Relative Intensity
57.03442	4.8
59.01382	8.4
71.01384	6.9
73.02934	2.3
74.99094	1.8
81.51897	1.6
82.95512	1.6
83.01369	2.5
83.05023	2.1
85.02946	3.9
93.03470	1.9
101.02454	7.7
107.04997	2.8
108.02191	11.6
120.02397	1.5
121.02980	20.5
122.03762	7.6
123.04556	4.2
134.03755	13.4
135.04530	15.6
136.01665	17.6
136.07639	2.4
137.02397	2.4
138.57573	1.6
145.02968	30.3
146.03755	83.1
146.08882	1.8
147.04478	6.2
147.08197	2.9
148.05328	6.3
149.02419	5.3
150.03241	5.8
151.04083	2.1
157.06613	5.7
157.61063	1.9
158.96480	1.7
159.04536	17.5
160.05310	54.7
162.06868	5.1
163.07671	24.5
164.01207	6.3
164.04805	4.2
164.08395	2.9
165.09186	1.9
167.03493	1.6
172.05299	5.6
173.06107	1.7
174.06836	4.9
175.07651	100.0
176.08047	3.9
177.05592	1.6
177.09267	14.1
179.10852	3.5
180.06636	2.3
181.05156	1.8
187.07675	8.2
191.07112	20.1
193.01465	4.1
193.08716	84.0
194.09090	2.6
205.08705	62.3
207.98465	4.4
208.03851	8.3
221.08203	39.7
223.00748	3.1
223.02734	17.4
223.06369	8.6
223.09767	77.2
223.13420	5.2
224.10060	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	223.0976
Annotation	Diplodiol
Peak:m/z	Relative Intensity
56.69736	4.3
57.03430	8.9
58.99600	29.9
59.01384	36.5
61.98837	10.7
64.57538	4.1
71.01394	28.0
73.02942	9.5
74.99091	5.0
78.95901	8.2
79.73002	5.3
83.01386	10.8
85.02964	16.7
87.00907	5.8
92.89075	5.4
93.03476	8.7
101.02454	33.5
103.61032	5.2
107.05059	6.1
108.02184	17.3
109.02957	8.9
111.00828	7.4
113.02443	11.9
119.05040	8.5
121.02958	33.4
122.03787	31.0
123.04531	7.0
134.03732	14.4
135.04532	47.5
136.01663	33.4
136.05319	4.9
145.02945	33.2
146.03755	62.7
147.04567	25.2
147.05548	4.6
148.05310	16.0
149.00941	6.4
149.02417	8.2
150.03226	34.6
151.02696	5.1
151.03970	5.7
157.06580	9.1
159.04526	46.8
160.05305	53.5
161.04607	6.4
161.06107	7.8
163.04045	4.4
163.07648	14.5
164.01172	21.5
164.04718	7.5
165.01961	6.1
165.09425	5.9
172.05334	35.4
175.07623	83.6
177.09241	57.5
179.03473	8.6
185.06068	9.0
187.07646	57.5
190.06393	14.9
191.07178	19.4
193.01408	20.0
193.08705	63.8
198.76009	4.6
203.06883	6.1
205.08713	100.0
208.03841	25.6
208.05450	4.8
223.02782	47.4
223.06200	20.5
223.09750	20.7
223.13376	11.0
224.03065	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	223.0976
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
52.09952	6.5
59.01377	45.5
62.84020	8.2
71.01375	21.5
71.41802	7.5
73.02955	19.9
74.99093	9.7
85.02965	14.0
101.02441	42.5
113.02389	11.5
130.59648	6.4
135.04498	8.8
135.10902	6.8
135.11836	35.3
149.00929	10.3
179.10822	100.0
193.01407	20.4
208.03777	20.6
223.02832	74.3
223.07491	13.7
223.09712	8.5
223.13284	13.2
243.02777	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	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03442	3.0
58.70675	1.0
59.01383	8.4
61.98820	2.7
69.03458	5.5
70.96867	1.2
71.01382	1.4
71.05012	2.8
74.99073	1.5
83.05035	1.3
84.13998	1.1
85.06603	1.5
95.05031	1.5
101.68945	0.9
109.06613	1.9
135.11760	1.1
149.01016	1.3
149.09691	1.5
151.04068	1.1
161.13400	1.5
166.06348	2.6
167.10764	9.3
176.83760	1.3
179.10806	4.4
179.14427	11.4
194.33838	1.0
195.13919	33.5
196.14346	1.2
205.12358	21.9
206.12560	1.3
217.45126	1.1
222.93181	1.0
223.02898	5.6
223.13420	100.0
224.13774	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0559
Annotation	Dithranol
Peak:m/z	Relative Intensity
52.81475	0.2
55.44346	0.3
56.15435	0.2
57.84064	0.2
58.85323	0.3
59.01384	0.6
61.91649	0.3
61.98837	1.7
70.90892	0.2
93.03451	0.4
119.03374	0.2
137.02464	0.2
141.86758	0.2
143.86488	0.4
153.07079	0.4
153.79163	0.3
169.06583	4.5
178.83417	1.1
180.04417	0.3
180.05824	1.4
181.06607	20.3
182.03722	0.5
182.06892	0.7
183.13895	0.7
187.07617	1.7
196.05328	0.9
197.06090	7.1
198.06581	0.3
210.03265	1.6
224.04797	0.9
225.05591	100.0
225.14838	1.6
225.92708	0.6
226.05916	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	225.0771
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
50.51918	0.6
54.51213	0.5
55.79097	0.5
56.84287	0.6
59.01384	2.4
69.99914	1.2
78.44326	0.6
79.61541	0.5
93.03469	1.9
95.01398	1.6
96.96027	1.7
109.03000	3.2
117.08631	0.5
121.03043	0.7
123.00888	0.7
137.02461	25.3
138.03194	1.2
151.04008	1.0
153.05641	1.1
165.01949	96.7
166.02271	2.1
179.03516	1.8
180.04301	100.0
180.72968	0.6
181.04709	2.7
195.03011	35.6
195.06642	85.4
196.03316	1.0
196.06915	2.9
210.05359	45.2
211.05685	1.3
225.07716	38.9
226.08049	1.1
237.47682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.36735	1.5
59.01383	5.4
69.14779	3.7
69.15186	9.7
71.56729	1.5
72.77641	1.6
73.02959	17.9
95.05038	6.1
109.06648	1.9
163.11317	16.2
181.12369	100.0
182.12692	4.4
207.10231	3.2
220.06920	1.9
225.09151	3.8
225.11330	68.2
225.14670	2.8
226.11867	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49269	2.1
59.01376	12.0
61.83247	2.1
61.98845	3.7
63.83028	2.4
67.80173	2.7
71.44559	2.2
73.89133	2.5
93.03471	6.6
97.02948	9.2
99.00912	3.6
109.06596	5.4
110.03751	3.9
125.09724	3.8
137.02509	4.6
153.89503	2.5
163.11313	11.7
165.01880	3.4
179.10791	3.8
181.12354	29.4
207.10275	77.4
208.10687	2.6
210.05305	3.3
225.07927	4.0
225.11348	100.0
225.14796	5.0
226.11583	6.8
233.82372	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09311	5.7
58.70536	6.5
59.01388	22.7
63.40519	5.3
70.24767	9.8
73.02927	8.8
74.55220	5.6
93.03431	10.9
95.05007	8.6
99.00895	14.7
126.90510	10.7
135.22693	5.9
137.02435	19.6
163.11343	20.4
179.51712	5.9
180.04327	7.7
181.06654	8.7
181.12325	78.9
183.10362	9.9
224.04984	6.3
224.90453	8.6
225.00468	7.9
225.05635	33.0
225.11366	100.0
225.14844	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	225.1134
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
59.01385	100.0
60.01727	1.0
69.08914	0.5
69.09238	3.4
73.02979	0.7
81.03468	1.2
87.65337	0.4
93.03481	1.7
95.01406	0.6
95.05042	0.8
97.06586	3.3
99.04524	0.6
109.02962	0.5
110.69053	0.4
121.02991	0.8
123.00903	4.3
135.08200	1.4
137.02461	1.6
139.00372	0.5
145.47249	0.5
147.08168	3.1
149.02383	0.8
150.03253	1.9
151.00388	1.9
152.01172	0.5
153.02054	0.5
163.11313	0.8
165.02007	0.5
165.09241	1.8
177.01862	0.5
178.02757	0.8
181.05025	0.7
181.12428	0.8
195.03011	11.9
195.06691	0.5
196.03267	0.7
207.10257	0.8
210.03329	0.8
210.05350	15.9
211.05647	0.6
225.07817	10.4
225.11334	27.8
226.11636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1498
Annotation	Annuionone G
Peak:m/z	Relative Intensity
57.03454	19.0
58.70550	0.7
59.01387	3.5
59.55962	0.7
69.96793	1.6
69.97128	0.9
71.05040	1.5
76.81842	0.7
83.05031	1.0
93.03471	2.0
95.05016	1.2
96.96035	1.2
97.02958	0.8
97.06615	0.8
98.03744	0.8
109.06617	2.0
110.03738	0.9
111.04543	1.2
112.68699	0.7
115.07622	1.0
122.03770	1.0
124.05325	1.0
125.06120	3.9
136.05334	4.1
137.02449	1.2
137.09752	7.1
138.06854	3.7
139.07695	7.9
147.08173	0.8
151.07703	4.8
152.08443	100.0
153.09254	10.4
155.10797	23.4
163.11299	21.3
165.01942	1.8
167.10867	3.7
180.04239	1.2
181.12392	1.7
183.02986	0.8
189.12924	1.2
194.09419	0.9
195.02957	1.9
195.06628	1.7
207.13913	8.4
210.05397	2.1
210.12627	25.3
211.13042	1.2
225.00481	1.0
225.02443	1.0
225.07687	1.8
225.11359	2.5
225.14973	96.8
226.15324	3.4
232.30156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1498
Annotation	MKN-003C
Peak:m/z	Relative Intensity
59.01365	7.9
61.98839	18.6
62.85524	1.6
69.88682	4.6
73.76904	2.0
93.03479	2.8
122.91790	1.7
126.90534	3.9
137.02429	2.1
143.86478	3.0
162.83971	2.3
163.14975	1.9
178.83417	12.5
181.12303	2.1
192.80756	2.2
195.13872	8.7
197.15448	5.7
207.13899	25.1
224.62852	1.9
224.90587	1.9
225.00519	2.1
225.11363	4.8
225.14970	100.0
225.92615	3.0
226.15312	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	225.161
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
51.61226	0.3
51.83349	0.3
57.59130	0.4
58.02982	0.5
59.01372	1.3
60.99184	0.5
65.97482	0.4
69.24427	0.7
69.24833	1.3
72.04575	0.5
80.05070	0.7
81.03461	16.5
82.06635	0.9
83.05032	83.7
84.05367	1.2
93.03466	1.4
94.06588	0.4
96.96024	0.6
98.21929	0.6
105.01949	0.7
107.06154	0.4
108.04535	1.3
120.04544	0.3
125.07231	4.0
127.13110	0.4
131.69038	0.3
135.04544	0.8
137.02467	1.3
137.06021	0.3
138.05568	0.6
143.08247	3.0
168.58086	0.4
195.03111	0.4
207.15042	11.4
210.05339	0.6
225.07585	0.9
225.16093	100.0
226.16428	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	226.0876
Annotation	Clausine-V
Peak:m/z	Relative Intensity
60.89407	0.7
61.98833	13.7
63.26134	0.7
69.95363	1.9
74.32936	0.6
74.89032	0.6
125.89137	0.7
164.01147	1.6
183.03223	1.0
183.13924	0.7
191.07178	1.6
197.04842	75.2
198.05229	2.3
200.77522	0.7
210.05858	0.7
216.10312	3.0
225.92807	3.8
226.08762	100.0
227.04857	10.2
227.07048	1.1
227.08972	3.5
227.12653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.3
59.01386	8.5
70.60506	4.9
71.01385	31.2
71.01746	3.5
71.90840	2.2
72.99333	2.5
73.02960	4.6
83.01405	14.2
85.02972	12.8
87.00877	4.3
91.55988	2.5
98.21868	2.5
98.84571	2.3
99.00891	93.3
101.02480	2.4
106.16338	2.6
111.00898	37.0
112.98826	100.0
115.00375	3.4
117.00439	6.0
129.01958	17.1
131.02034	9.4
142.99901	9.5
173.00922	31.4
191.02121	2.8
226.99603	7.1
227.20172	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0926
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
59.01367	0.3
62.54788	0.3
69.03442	0.4
71.01386	0.3
71.09639	0.3
72.99316	100.0
73.99657	0.7
74.02448	0.3
75.00883	3.9
79.95750	0.7
88.04058	0.9
95.05034	0.5
97.02962	0.6
109.06632	0.3
113.06100	0.3
122.03752	1.0
123.08179	0.5
125.06105	1.4
132.03075	0.7
136.05214	0.3
137.06163	0.5
138.06909	1.9
139.07684	2.5
149.06091	0.3
150.06694	0.3
151.07654	3.8
152.04857	0.3
152.08467	3.3
153.09222	2.7
164.62138	0.3
165.09218	4.5
169.70522	0.3
183.05653	0.4
209.08217	2.2
209.11815	0.3
227.09271	30.6
227.20163	1.0
228.06630	0.7
228.09459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
53.41159	0.6
57.03433	1.2
58.00598	7.2
58.04428	0.8
59.01381	1.4
61.33220	0.7
71.01382	1.0
73.02942	2.2
76.88548	0.6
79.85052	0.8
80.41236	0.7
83.04984	1.0
84.02173	2.1
95.05027	0.8
139.11276	0.9
143.26782	0.7
151.11264	1.0
153.12871	2.0
155.14426	3.0
163.11307	1.5
165.12862	4.1
169.12314	1.1
171.13925	2.1
181.12346	5.2
183.13910	9.3
191.10803	1.4
199.13408	58.5
200.13756	2.2
209.11816	14.3
227.12901	100.0
227.20088	1.4
228.13222	2.5
243.36533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1293
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03479	0.5
59.01398	1.3
62.23178	0.5
71.01423	0.6
71.05032	0.9
71.41584	0.5
80.02683	1.7
81.03051	0.5
81.03458	2.5
83.05039	8.1
83.31975	0.4
84.02179	2.9
91.93575	0.5
95.05038	0.7
98.89056	0.4
109.06630	0.5
125.06083	0.8
125.09795	0.6
135.08167	0.7
139.11296	3.6
142.72609	0.4
163.11328	5.2
165.12860	3.9
181.12329	1.1
183.13937	1.1
191.10786	1.3
199.13419	1.3
209.11852	100.0
210.12212	3.6
227.03723	0.5
227.07169	1.0
227.12874	5.4
227.16429	0.7
227.20258	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	227.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06276	0.5
57.03457	1.4
59.01390	0.6
62.02719	0.5
62.50650	0.6
69.37816	2.7
80.02670	0.5
81.03429	0.6
83.05051	2.6
95.05029	0.5
97.06589	2.1
98.22570	0.9
111.08188	4.6
130.04071	0.6
139.11320	0.8
147.11737	0.6
151.48801	0.6
162.52303	0.5
163.11304	1.8
165.12868	31.2
166.13213	0.8
183.13922	31.2
184.14308	0.7
202.29594	0.6
209.11848	21.5
210.12273	0.9
227.12918	100.0
228.13197	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.36198	0.8
50.48860	0.8
65.00299	1.0
69.38049	4.0
80.02695	3.0
81.03458	1.8
82.69957	0.7
83.05035	8.3
84.02162	4.1
95.01418	1.4
95.05048	1.4
108.89699	0.8
110.43337	0.8
125.06136	0.8
139.11322	1.6
139.46295	0.7
142.93886	0.9
143.22742	0.9
163.11313	7.9
165.12852	3.4
166.13252	0.9
181.12338	1.0
183.14008	0.9
191.10802	1.5
207.18451	0.8
209.11844	100.0
210.12221	3.6
227.12935	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	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
61.64344	0.3
68.79580	0.3
70.50759	0.6
71.05016	0.9
80.02682	2.3
81.03469	2.2
83.01417	0.6
83.05034	7.4
84.02171	3.3
95.05009	0.9
125.06081	0.9
125.09715	0.5
135.08131	1.0
163.11314	6.4
165.12851	5.3
176.69629	0.3
181.12277	1.6
183.13879	0.7
191.10852	2.2
191.12277	0.4
209.11839	100.0
210.12164	3.4
210.74405	0.3
211.65221	0.4
222.25800	0.3
222.73004	0.4
227.07423	0.4
227.12872	4.2
227.20338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.42738	0.8
59.01370	1.1
96.34383	0.8
111.08157	2.0
119.10162	0.8
149.20792	1.0
165.12860	19.8
166.13184	1.5
183.13911	100.0
184.14244	2.8
209.11792	2.6
227.07054	3.1
227.12886	18.2
227.16504	1.6
227.20143	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	227.1292
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
59.01378	0.4
62.29943	0.4
69.30393	1.9
78.09164	0.4
80.02675	2.6
81.03468	2.3
83.04578	0.7
83.05034	7.5
84.02171	3.5
93.03475	0.5
95.05041	1.1
98.22633	0.9
125.06115	0.8
135.08188	1.0
138.73213	0.4
163.11301	6.0
165.12851	5.1
166.13170	0.5
181.12408	0.7
183.00485	1.1
183.13931	1.1
191.10805	1.5
209.11841	100.0
210.12207	3.2
227.03186	0.5
227.12962	3.5
227.20108	0.7
243.19638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58268	0.6
56.79231	0.6
58.81950	0.5
59.36745	0.7
63.01122	1.0
65.01435	0.7
65.99836	3.8
71.01394	0.7
75.33729	0.6
89.01426	0.9
89.99837	1.0
90.02236	1.4
91.00641	1.0
94.39281	0.5
102.02265	4.4
103.00629	2.7
103.99055	0.8
106.01698	0.9
121.01645	0.7
130.01732	14.5
130.02646	0.5
132.75499	0.7
134.06157	0.8
137.26599	0.7
139.34721	0.7
139.71675	0.7
139.94386	0.6
146.02444	0.9
158.01222	49.3
159.01555	1.5
160.00389	2.5
172.02803	1.1
173.03529	1.2
174.00677	0.9
174.01985	1.6
186.00710	100.0
186.99219	1.2
187.01093	2.2
187.99902	13.8
192.03006	0.8
198.00693	1.7
199.01390	1.1
199.99750	0.7
201.03024	7.7
202.01474	3.0
214.00208	41.0
215.00958	13.5
229.02553	48.9
229.14418	1.8
230.02913	2.6
237.96666	0.6
238.42540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0507
Annotation	2,3-Dihydroxy-2'-carboxybiphenyl
Peak:m/z	Relative Intensity
59.01384	0.5
69.17603	1.1
69.18030	0.9
71.01391	1.9
83.01412	0.3
95.55329	0.3
98.22616	0.8
101.36914	0.3
115.05537	1.5
116.07211	0.9
121.55317	0.3
129.07123	0.6
130.04247	0.5
131.05081	0.6
143.05043	6.4
146.03690	0.4
156.05872	3.1
157.06590	8.7
158.03745	7.1
167.04961	0.5
173.05975	0.5
183.04498	3.8
184.05309	45.9
185.06084	100.0
185.16560	1.2
186.03241	0.4
186.06436	3.5
192.02190	0.3
200.04826	0.9
201.05548	0.9
229.02748	0.8
229.05064	15.1
229.10919	0.5
229.15623	3.2
230.05409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.8
69.68256	1.4
69.70823	2.4
69.71196	2.7
71.01383	2.6
93.72013	1.3
130.38506	1.5
136.82600	1.3
171.02048	3.0
172.05461	1.9
185.05949	1.8
186.06900	2.5
189.21411	1.4
199.01523	26.1
200.04752	1.8
201.09259	1.7
213.03049	3.0
214.03859	37.1
224.84064	1.3
229.06197	100.0
229.08694	20.0
229.14398	12.1
230.06560	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.78901	0.3
53.02096	0.3
56.21505	0.3
57.80109	0.3
58.00600	1.0
58.10067	0.3
59.01369	1.7
71.14941	0.5
71.77831	0.3
73.02956	0.6
82.51654	0.3
83.05025	0.4
89.03967	0.4
100.71245	0.3
103.01475	0.5
153.12836	1.9
155.14450	5.6
157.06596	0.6
161.02467	1.0
167.04959	0.4
167.14426	0.8
176.13873	0.4
183.13901	7.0
185.06079	1.0
185.15465	0.6
193.12271	0.5
199.13400	5.5
201.05591	1.3
211.04001	1.4
211.13416	6.1
213.02031	0.5
214.02715	1.7
227.12898	3.6
228.04262	0.4
229.02705	0.7
229.05060	11.1
229.14452	100.0
229.18170	2.6
230.05417	0.4
230.14780	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	229.1447
Annotation	6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate
Peak:m/z	Relative Intensity
54.42178	0.8
56.10616	1.0
58.10403	1.1
59.01384	67.7
62.01863	1.0
63.68019	1.1
66.82272	0.9
69.42616	4.5
71.01368	1.1
93.12643	0.9
98.22618	1.7
99.00884	1.0
103.01492	2.8
116.92849	1.7
139.90636	0.9
141.12875	33.2
142.13084	1.0
167.87184	1.5
169.12352	19.6
170.12729	1.4
170.88332	6.3
186.05746	1.1
187.13408	100.0
188.13774	3.2
195.13057	1.0
201.09268	1.4
202.23206	0.9
211.13461	1.2
229.02536	1.9
229.04802	2.5
229.08557	1.1
229.14421	10.1
229.18044	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	229.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01363	0.4
59.52249	0.3
64.78328	0.3
67.01926	0.4
71.05028	0.6
83.05029	0.8
83.46770	0.3
85.02961	0.6
97.06603	0.4
97.80301	0.3
119.66908	0.3
125.09737	2.0
125.10486	0.4
127.11302	3.7
133.48599	0.3
139.83406	0.3
155.14441	1.0
156.34074	0.3
165.12787	0.9
167.14413	2.3
171.10255	3.9
183.13875	1.6
193.12325	1.0
209.11884	3.1
211.11400	0.7
211.13408	11.2
212.13873	0.4
214.20525	0.4
229.14455	100.0
230.14807	4.0
232.18376	0.4
249.74307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75365	0.3
52.14601	0.3
52.16945	0.3
57.03454	1.5
59.01381	0.9
62.41678	0.3
65.18778	0.3
66.82270	0.3
71.01382	0.5
71.05019	0.8
83.05025	0.6
84.02168	0.5
85.02943	1.0
96.61218	0.3
97.06584	0.8
99.92514	0.3
123.08144	0.4
125.09734	4.6
127.11312	5.5
149.23703	0.3
155.14441	2.5
165.12823	1.0
167.14409	1.8
171.10280	0.7
183.13893	0.8
209.11830	1.6
211.13422	4.1
216.25502	0.3
229.14456	100.0
230.14757	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.98231	0.3
57.03454	1.8
59.01377	0.5
65.31731	0.3
71.05016	0.7
71.44802	0.4
83.05047	1.0
84.02163	0.6
85.02956	1.2
125.09750	2.3
127.11319	4.1
143.10794	1.1
153.13011	0.4
155.14449	1.2
165.12857	0.6
167.14409	1.6
171.10281	4.5
183.13924	1.1
185.06111	0.5
209.11871	2.7
211.13422	7.0
229.14459	100.0
230.14806	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	229.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33078	0.5
53.18269	0.5
57.48615	0.5
59.01391	3.5
69.03416	0.5
70.81525	0.6
80.01679	0.5
81.03447	0.7
83.05032	0.8
97.06620	0.9
109.14098	0.5
111.08170	3.8
113.09712	1.3
115.53040	0.5
139.07626	0.9
157.08717	36.0
158.09013	1.0
163.11346	2.6
167.14383	1.3
171.15111	0.5
181.12361	37.0
182.12694	1.6
183.14032	0.6
193.12341	3.7
199.13416	28.5
200.13719	0.8
201.09268	0.9
211.13412	46.6
212.13742	1.3
214.06337	0.7
229.14459	100.0
230.14868	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	229.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71891	0.4
57.03439	1.2
59.01385	0.8
63.99903	0.4
65.61216	0.3
67.01892	0.3
69.03460	0.6
71.01381	0.5
71.05021	0.6
73.98475	0.4
83.05035	0.6
84.14587	0.4
84.91775	0.4
85.02956	0.7
93.51043	0.4
116.04568	0.4
125.09707	2.1
127.11311	4.6
135.33601	0.4
139.11275	0.4
153.12816	0.6
155.10818	5.1
155.14433	1.0
163.11205	0.4
165.12816	0.7
167.14430	1.2
171.10265	3.4
181.12305	3.4
183.10318	0.9
183.13927	1.7
193.12373	1.3
197.11787	0.4
199.13414	8.2
201.11421	1.9
209.11864	2.6
211.13400	11.4
212.13708	0.6
228.83951	0.5
229.14450	100.0
230.14786	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	230.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
57.09693	0.6
59.01384	1.3
59.08389	0.5
69.08401	3.5
69.08806	1.3
70.02987	18.2
71.01384	1.9
72.42055	0.7
83.05038	1.6
93.50759	0.6
96.99321	31.7
97.99637	0.7
99.08170	1.7
100.07693	100.0
101.08013	1.7
114.01981	4.2
115.00382	1.2
126.09251	6.3
129.01939	0.9
138.23283	0.6
150.43776	0.6
154.08755	24.1
198.07748	18.4
215.02301	9.5
230.04767	1.0
230.15543	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	231.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97685	0.8
55.71750	0.9
59.01382	1.7
63.77381	0.8
71.81126	0.8
72.99307	1.0
74.59488	0.8
95.76498	0.8
105.02234	2.0
120.00964	1.1
120.04556	1.3
133.01709	35.4
145.01660	1.2
146.02464	2.1
147.03264	3.9
148.04034	4.8
161.01207	16.7
161.59746	0.9
163.02739	7.6
171.02032	1.8
173.01195	2.8
174.01930	2.7
175.02679	0.9
176.03540	100.0
177.03871	2.9
178.05193	2.3
187.99838	1.8
188.01337	1.5
189.00655	30.8
194.04535	1.6
199.01497	3.4
200.02211	5.7
204.03023	82.1
205.03297	2.3
216.01485	11.2
220.02556	10.4
222.04102	4.2
227.89012	0.9
231.04271	12.1
231.15897	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	231.1028
Annotation	Drupanin
Peak:m/z	Relative Intensity
59.01378	0.6
72.98540	0.4
72.99305	1.0
73.02948	0.5
106.42279	0.5
131.05087	0.6
132.05821	95.7
133.06131	2.4
164.04797	24.4
165.05124	0.8
170.88377	1.1
172.08963	0.6
172.88107	0.8
176.04799	2.7
187.11290	100.0
188.11635	3.3
208.03780	1.2
231.10265	61.9
232.10629	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	231.1029
Annotation	Fraxinellone
Peak:m/z	Relative Intensity
53.47420	0.1
59.01379	0.5
69.03454	0.4
74.78587	0.1
85.02969	0.2
109.02942	0.3
119.00144	0.1
122.94328	0.2
127.11289	0.2
130.04247	0.6
131.05052	0.2
134.03711	0.3
139.29633	0.1
145.08755	0.2
146.03737	0.7
149.06129	0.4
151.07620	0.8
155.83080	0.2
158.03745	2.8
159.04539	2.5
159.08110	0.8
164.30528	0.1
171.10361	0.2
172.05324	14.3
173.06107	4.2
174.03133	0.2
174.06792	0.3
175.07637	0.5
183.04597	0.2
184.05304	0.2
186.03365	0.2
187.04266	2.3
187.07664	100.0
188.08051	3.3
197.06061	0.4
201.05597	11.3
202.06377	19.8
203.06778	0.5
203.10817	0.7
204.04294	0.8
213.09235	1.6
213.14880	0.2
216.07977	0.7
231.10289	23.7
231.16010	7.0
232.10532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1028
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.33826	0.9
59.01368	0.9
65.99070	0.7
79.63986	0.7
93.59612	0.7
112.76234	0.7
131.05067	1.9
142.04248	0.9
143.05077	0.9
158.03786	1.9
159.04535	5.8
172.05334	8.7
173.06059	2.1
174.03242	31.9
175.03697	1.3
184.05299	2.4
185.06001	1.5
187.04051	6.4
187.07701	1.1
187.11462	0.8
188.04665	1.2
196.05374	1.5
197.06082	19.6
198.06877	6.2
199.27519	0.9
202.06351	0.9
203.10715	0.9
209.45062	0.8
211.07770	0.8
213.09232	100.0
214.09560	4.2
231.10284	56.2
231.16063	6.7
231.18036	1.2
232.10635	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	231.1604
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03444	1.6
59.01377	0.3
62.02527	0.2
62.82426	0.2
65.04733	0.2
67.96407	0.2
69.31116	1.1
87.04504	0.5
87.80148	0.2
125.09760	0.5
127.11311	2.5
155.14438	0.7
167.14548	0.3
171.10289	4.3
183.13858	0.6
185.15475	0.6
195.13916	0.6
213.14975	4.6
229.14493	2.9
231.16016	100.0
232.16344	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	232.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.9
65.03970	2.1
65.99853	2.5
69.82685	3.6
70.02989	8.2
70.44539	1.1
75.00877	1.3
84.04565	1.1
89.02734	3.5
91.05538	1.5
93.03476	2.1
96.99303	1.8
101.93060	1.2
105.02132	1.7
114.01983	16.7
116.01430	2.2
116.05081	14.7
117.02218	27.2
117.03455	5.4
118.03045	2.5
120.00972	1.6
129.02214	3.9
130.02924	1.5
132.04495	1.8
133.01712	4.2
133.02960	1.2
134.06119	3.1
142.50278	1.0
144.00932	3.7
144.04562	20.7
145.01718	9.8
146.02480	4.0
157.01675	2.3
158.02495	2.1
160.04034	1.1
160.07663	1.2
162.01915	2.4
172.00414	3.3
173.01195	100.0
174.01526	2.3
176.03513	6.7
188.03554	5.7
188.07204	2.2
199.99791	1.2
201.00708	2.5
201.05605	1.6
204.03020	8.1
217.00156	3.3
232.02496	24.5
232.06161	1.8
233.02872	1.5
233.15488	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0616
Annotation	Mimosamycin
Peak:m/z	Relative Intensity
59.01381	3.7
62.11436	0.6
71.41872	0.6
72.71930	0.6
101.86484	0.6
108.74735	0.6
114.81647	0.7
130.02974	1.8
136.00964	0.7
146.02478	2.2
148.04057	42.2
149.04335	0.9
157.01672	1.2
158.02480	35.7
159.02943	1.4
174.01959	2.6
189.04283	7.4
189.05563	0.6
190.98891	0.7
217.03798	100.0
218.04126	4.1
232.06151	48.4
233.06467	1.4
233.15462	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	232.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.1
70.02983	57.3
71.41286	1.3
84.66952	0.9
91.05534	13.2
94.97403	0.9
96.99336	8.5
98.94193	0.9
98.94941	0.9
114.01982	100.0
115.02293	1.1
116.01342	1.3
116.05071	2.9
117.02257	4.6
117.03479	30.3
133.01726	1.1
134.06139	15.3
144.04539	2.6
144.08250	1.3
145.01701	2.9
145.06587	1.1
146.06151	8.1
160.07671	3.8
172.61244	0.9
173.01212	15.7
188.03667	1.1
188.07196	7.3
200.84029	1.3
204.03035	1.1
209.86162	1.0
232.02441	5.0
232.06198	3.1
233.15471	23.2
233.46399	0.9
244.87378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
58.42019	0.8
59.01385	42.8
62.31156	0.8
64.96342	1.0
69.87917	2.2
71.01386	7.0
72.99316	4.6
73.02950	1.2
75.00903	0.9
78.95879	1.1
83.01397	2.3
84.99310	1.5
85.02930	1.4
87.00890	20.9
91.48264	0.9
96.96006	3.5
98.21924	1.3
99.00905	8.5
99.92657	1.0
101.06093	100.0
102.44244	0.9
103.00379	16.6
104.97816	0.9
111.00901	2.4
112.98820	26.8
117.05562	2.5
129.01924	1.1
130.99879	2.7
132.98145	1.0
133.01408	1.1
137.55713	0.8
145.00905	6.3
147.00717	1.0
149.00963	1.3
172.98634	2.3
181.46382	0.9
188.99879	3.9
191.94559	1.1
196.56355	1.0
231.36147	1.0
232.98869	3.0
233.01102	1.4
233.06682	6.5
233.15477	39.5
234.15852	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	233.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
58.42019	0.8
59.01385	42.8
62.31156	0.8
64.96342	1.0
69.87917	2.2
71.01386	7.0
72.99316	4.6
73.02950	1.2
75.00903	0.9
78.95879	1.1
83.01397	2.3
84.99310	1.5
85.02930	1.4
87.00890	20.9
91.48264	0.9
96.96006	3.5
98.21924	1.3
99.00905	8.5
99.92657	1.0
101.06093	100.0
102.44244	0.9
103.00379	16.6
104.97816	0.9
111.00901	2.4
112.98820	26.8
117.05562	2.5
129.01924	1.1
130.99879	2.7
132.98145	1.0
133.01408	1.1
137.55713	0.8
145.00905	6.3
147.00717	1.0
149.00963	1.3
172.98634	2.3
181.46382	0.9
188.99879	3.9
191.94559	1.1
196.56355	1.0
231.36147	1.0
232.98869	3.0
233.01102	1.4
233.06682	6.5
233.15477	39.5
234.15852	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	233.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01691	0.2
57.03447	0.3
58.00600	0.6
59.01385	42.0
60.01718	0.2
65.03011	0.2
68.99815	0.4
71.01394	1.6
72.99319	1.6
73.02949	0.4
76.61568	0.2
83.01374	0.3
84.99314	1.9
85.02953	0.3
87.00885	18.7
88.01196	0.3
99.00902	0.8
99.96889	0.2
101.06092	100.0
102.06438	1.9
103.00384	16.3
104.03547	0.4
105.01939	0.4
111.00883	0.4
112.98824	27.5
113.99148	0.4
115.00430	0.9
117.05592	7.8
130.99875	3.2
133.01448	0.2
145.00883	0.4
149.00931	1.8
180.14063	0.2
232.99071	0.2
233.01335	0.4
233.04308	0.3
233.06670	5.8
233.10246	0.4
233.15486	4.0
237.95966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	45.1
62.23935	0.6
69.80674	1.4
69.81051	1.6
72.99322	1.3
84.99329	1.7
87.00883	20.9
92.75859	0.6
101.06092	100.0
102.06409	1.0
103.00386	16.6
103.01069	1.0
109.54501	0.7
112.98820	29.0
130.99886	3.8
149.00935	1.3
203.78412	0.6
233.06676	5.3
233.15504	7.9
243.63226	0.6
243.65709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	40.1
70.99934	1.0
71.01396	1.0
72.99310	2.4
75.00874	0.9
78.95901	4.7
84.99322	1.8
85.02958	0.6
87.00884	21.1
88.98809	0.9
96.96029	2.9
96.96971	6.7
97.88709	0.6
99.00906	1.5
101.06093	100.0
102.06435	2.0
103.00377	16.4
105.01948	12.7
112.98820	29.8
116.70124	0.6
117.95846	0.5
130.99855	4.4
134.99847	0.7
139.04039	0.9
144.99922	0.9
145.00880	3.3
149.00934	1.4
183.14464	0.6
188.99890	1.7
189.05573	1.0
204.87312	0.6
232.98920	1.7
233.06670	5.2
233.10263	1.2
233.15483	21.9
234.16010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0821
Annotation	Nigerapyrone C
Peak:m/z	Relative Intensity
51.62988	0.6
59.01382	3.7
61.98821	0.9
65.00320	1.6
67.01905	0.6
75.00874	1.9
79.05529	4.9
81.03461	7.6
81.07094	1.1
83.01391	13.7
85.00437	1.6
96.96022	1.3
105.07118	4.6
107.05033	8.3
115.25513	0.6
119.18415	0.5
119.75977	0.6
123.08173	1.1
125.02451	1.2
129.07138	1.1
131.05040	3.5
134.99332	0.8
136.97153	0.6
145.06599	4.7
147.08168	11.8
149.00964	6.1
149.02179	1.0
149.06093	4.0
159.47414	0.6
171.08138	1.0
172.88138	0.6
173.06071	3.4
187.07622	5.2
189.05582	0.9
189.09224	15.0
190.02722	1.9
190.98805	0.9
191.07138	6.9
215.07130	1.5
217.05075	5.4
217.07230	8.3
218.02287	1.7
222.01663	0.6
233.04486	2.8
233.08220	86.9
233.15472	100.0
234.08511	3.2
234.15773	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	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49275	0.4
59.96738	1.2
60.97508	0.7
69.82891	0.9
69.83248	0.8
74.99079	8.9
75.00891	0.4
75.37199	0.3
91.02210	1.1
93.00142	1.9
105.40230	0.4
118.96290	1.4
133.98738	0.4
134.99416	10.0
136.97331	2.0
137.20125	0.4
143.05348	1.0
149.00967	71.1
150.00919	1.9
158.62482	0.4
159.08472	1.8
161.06409	4.2
170.97714	0.4
201.03958	0.6
205.18585	0.5
215.05739	1.1
217.07222	100.0
218.02145	0.4
218.07347	3.7
233.10356	94.7
233.15393	14.9
234.10446	4.5
234.15822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
59.96735	0.6
60.97492	0.5
71.29372	0.3
74.99078	8.4
75.00876	0.6
75.96227	0.3
75.99071	0.3
91.02222	1.0
93.00146	3.4
96.96021	0.3
118.96283	0.8
119.56987	0.3
134.99414	7.5
136.97365	2.6
141.07423	0.4
143.05374	0.7
149.00970	75.4
150.00966	2.0
150.98917	0.9
152.12447	0.3
159.08459	2.1
161.06415	4.3
166.74347	0.3
167.02058	0.3
177.26572	0.2
190.02701	0.7
201.04100	0.4
215.05688	0.9
217.07227	100.0
218.02264	0.4
218.07362	4.6
233.10362	88.9
233.15431	24.4
234.10530	4.0
234.15825	0.7
235.08244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21171	0.8
51.78089	0.8
52.29940	0.8
59.01367	2.6
62.92377	0.8
64.01929	0.9
65.00327	0.8
65.99844	2.6
70.00164	1.6
70.00478	0.9
70.11871	0.7
98.21912	0.9
105.02196	2.1
106.22211	0.8
118.03005	1.6
119.03776	3.9
122.03793	0.9
123.00911	0.9
132.00929	0.9
133.01695	14.6
135.03259	6.9
136.01685	1.7
146.02480	6.2
147.03271	19.1
152.03535	10.8
154.03969	1.7
160.00414	23.0
161.01198	4.0
162.02014	4.4
163.02747	9.7
174.01959	2.8
175.02724	2.9
175.99886	1.2
181.85583	0.7
187.99910	15.7
189.00552	1.2
190.01344	1.1
190.02911	0.8
191.02246	81.7
192.02690	2.4
202.01453	2.1
205.03488	0.9
206.04660	0.8
219.01730	100.0
220.02275	5.6
233.15530	1.4
234.04077	83.4
234.15805	14.7
235.04337	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	234.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13570	0.3
59.01411	1.1
64.51195	0.3
70.61799	0.3
70.83068	0.7
73.04151	0.3
85.30780	0.3
117.02269	0.4
133.01834	0.3
144.00945	0.5
159.03232	0.4
161.01239	1.3
163.69431	0.4
167.43887	0.3
174.58350	0.4
176.03546	38.4
177.03915	1.0
189.00758	0.6
190.05084	2.3
204.03026	100.0
205.03371	2.8
218.04597	7.0
219.05380	64.4
220.05728	2.4
233.15491	0.7
234.05742	0.9
234.07712	23.0
234.13623	0.6
234.15816	8.5
235.08205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1501
Annotation	Huperzine W
Peak:m/z	Relative Intensity
50.24655	0.4
69.37699	1.0
69.38105	1.3
82.92811	0.4
96.45803	0.5
124.47017	0.5
137.04544	0.5
137.06433	0.4
156.68086	0.4
156.89691	0.5
162.01923	0.4
165.80347	0.4
179.07153	0.6
203.88190	0.4
204.15245	0.5
218.11781	2.2
219.12587	1.6
234.14996	100.0
235.15295	3.2
251.11598	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	235.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.0
69.07790	2.2
69.08195	0.9
95.95560	0.5
102.09657	0.5
117.03481	0.5
118.04264	10.6
130.04288	1.1
133.02931	0.6
134.03738	4.3
137.02420	0.7
145.02968	0.8
146.03714	1.2
148.04306	0.5
148.05327	3.4
155.60249	0.5
161.02467	8.8
162.03239	13.9
164.04785	2.0
174.03221	3.6
175.04007	1.5
189.01881	1.7
190.02734	31.7
191.03188	1.9
192.04330	3.5
202.02739	12.6
203.03519	16.0
204.03911	0.9
205.05075	2.7
208.48854	0.5
217.05080	8.0
219.02971	0.8
220.03784	100.0
221.04150	3.8
222.01646	1.1
230.76868	0.5
235.06131	67.1
236.06435	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	235.0614
Annotation	6,7,8-Trimethoxy-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.08178	0.3
59.01376	1.9
66.74637	0.3
68.61752	0.2
89.03988	0.9
103.05542	0.6
105.03473	0.4
109.02974	0.5
117.03483	4.3
118.04256	0.4
119.05100	0.7
123.04574	0.5
133.02969	9.5
135.00902	1.7
147.04553	1.6
148.05319	1.3
149.02435	0.4
161.01103	0.5
161.02461	10.2
162.03227	0.9
163.00386	0.9
163.04056	0.3
175.04004	0.5
176.04762	1.9
177.01942	22.0
178.02341	0.4
189.09175	0.6
190.02737	2.3
191.03519	10.8
192.04065	0.4
205.01433	100.0
206.01756	3.5
219.03049	0.5
220.03789	78.0
221.04121	2.7
235.06129	49.0
235.16006	0.6
236.06496	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	235.0614
Annotation	FRAXIDIN METHYL ETHER
Peak:m/z	Relative Intensity
51.81087	1.1
54.04459	1.1
59.01385	19.9
61.28790	1.2
67.49485	1.1
68.78062	1.1
69.68949	4.0
71.01390	2.3
73.02961	1.4
94.02975	1.9
95.05053	2.7
105.03474	9.7
108.02204	1.2
113.22032	1.3
117.03451	2.3
119.05037	32.6
121.02956	2.7
123.00917	1.3
123.04512	1.4
132.02188	13.1
133.02974	66.3
134.03642	2.0
135.04526	2.0
136.01683	7.2
136.22357	1.1
137.02438	2.6
145.02953	4.5
147.03352	3.0
147.04535	59.2
148.05315	24.5
149.06093	2.0
150.03322	1.3
151.04019	3.4
153.05592	2.6
158.03712	1.5
160.01677	42.7
161.02443	5.6
161.06102	1.8
162.03246	1.3
162.06924	2.9
163.04036	16.5
163.07652	5.4
173.06126	1.3
175.04028	35.3
176.04805	100.0
177.01958	26.4
177.05171	4.2
178.02695	2.2
191.07159	87.1
192.04295	6.6
192.07751	3.0
193.05043	2.3
194.06039	1.6
207.06819	4.8
208.07681	6.1
212.08235	1.3
219.02953	1.3
220.03795	44.8
220.87454	1.3
221.04225	1.8
231.40506	1.3
234.15860	1.6
235.06143	33.9
235.09769	2.2
236.07208	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	235.0614
Annotation	Orthosporin
Peak:m/z	Relative Intensity
59.01378	4.7
65.90395	0.7
71.41334	0.8
118.04259	6.8
118.04972	0.7
132.02193	2.3
134.03775	2.2
147.04530	1.9
161.02411	4.7
162.03284	5.2
163.03902	0.8
164.04822	0.9
173.02327	0.7
174.03188	1.7
175.03960	1.2
176.01147	5.0
176.04866	1.2
177.01926	1.9
182.69894	0.8
186.62425	0.7
189.01947	11.6
190.02734	44.3
191.03491	9.3
191.07146	0.7
192.04201	1.0
201.01955	4.2
202.02731	19.4
202.04626	1.0
203.03519	67.3
204.03847	2.1
205.01289	1.4
219.03008	4.4
220.03783	100.0
221.04108	3.9
222.01669	3.9
226.37045	0.7
235.06129	65.0
235.13542	1.3
235.15923	1.5
236.06453	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0614
Annotation	STELLATIN
Peak:m/z	Relative Intensity
59.01387	6.3
93.03460	4.9
94.02984	1.2
95.01330	0.5
97.84796	0.6
101.49300	0.6
106.04253	1.3
108.02145	1.2
119.01385	0.8
119.05032	0.7
120.02168	1.2
121.02962	2.2
123.00860	0.7
133.02997	1.9
134.03755	8.0
135.04535	1.7
137.02451	1.8
146.03770	0.9
147.04617	0.8
148.05222	0.8
149.02478	1.0
150.03244	1.4
161.02460	3.7
162.03247	70.9
163.04030	30.4
163.05408	1.5
164.04422	0.8
173.06029	0.8
174.03386	0.6
175.04002	1.5
176.04799	6.1
177.01947	11.4
177.05441	0.8
178.02774	7.3
190.02733	6.4
191.03511	6.6
191.07185	1.7
192.02946	0.5
192.04349	5.4
192.08072	0.7
202.02718	1.9
205.05057	3.2
207.06676	1.7
217.05023	2.9
218.02168	0.6
219.03044	1.0
220.03798	54.3
221.04199	1.6
233.04608	1.5
235.06134	100.0
235.13438	2.0
235.16142	1.1
236.06519	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	235.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
57.44507	1.6
59.01384	36.9
65.88012	1.5
71.07053	2.4
73.02980	1.9
84.18378	1.9
93.71895	1.8
94.03009	3.2
95.05053	2.8
102.18147	2.0
103.05577	3.0
105.03445	11.3
107.05105	1.9
114.57195	1.9
119.05048	10.7
121.02952	4.4
122.87309	1.6
123.04514	2.5
132.02206	13.7
133.02969	69.8
134.03728	4.0
135.04523	3.0
136.01648	6.0
137.02484	2.5
147.04539	61.8
148.05353	23.9
149.02397	2.1
149.05971	3.3
151.04005	3.3
153.05576	3.3
160.01671	41.5
161.02420	4.0
162.06824	2.8
163.07587	2.1
175.04021	44.0
176.04797	100.0
177.01945	28.6
177.05139	2.6
178.02718	2.7
186.44611	1.6
191.03534	2.7
191.07158	86.3
192.04286	4.6
192.07455	3.6
193.05054	2.9
203.07170	2.5
206.06094	2.0
207.06889	3.8
208.07706	6.1
220.03789	50.6
221.03969	2.6
235.06087	36.7
235.09792	4.8
235.13614	2.5
235.16273	5.6
236.07237	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	235.0977
Annotation	Hyperolactone B
Peak:m/z	Relative Intensity
57.03449	3.0
59.01383	1.7
63.02394	0.4
65.00323	1.1
71.25468	0.3
71.74648	0.3
81.03001	0.6
81.03455	7.7
81.07074	0.4
83.01389	6.6
83.05018	0.8
85.40132	0.3
92.92835	0.7
93.03445	0.3
95.01409	0.3
95.05007	0.6
107.05049	0.6
107.08665	1.9
109.02927	0.4
109.06597	4.2
122.03728	0.7
123.00845	0.5
123.04530	16.6
124.01681	0.8
124.37743	0.3
125.02403	0.6
125.09734	1.1
126.16252	0.3
131.08736	0.3
133.06609	3.0
136.05318	0.3
137.02467	0.7
138.03207	1.0
147.08214	1.4
149.02437	0.3
149.09718	7.6
151.00381	2.6
151.07674	2.5
151.64644	0.3
154.38524	0.3
164.04793	2.4
165.01910	0.5
166.01286	0.4
166.02715	7.1
175.07657	1.1
176.01172	0.9
176.08453	1.4
176.90044	0.5
177.01898	0.8
179.03481	2.4
180.04282	2.6
189.09198	0.6
191.03479	3.5
191.10780	29.8
192.04292	4.8
192.11177	1.2
193.08702	9.7
194.09082	0.4
205.05072	0.3
207.71133	0.3
219.06638	2.8
220.07141	0.3
235.09755	100.0
236.10086	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	235.134
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
59.01385	100.0
71.01399	0.9
98.21815	1.9
109.02994	1.5
125.03706	1.0
134.07404	0.8
149.09747	2.2
163.11305	29.1
164.11638	1.2
187.07526	0.8
188.01349	0.8
189.12964	1.0
191.14409	15.4
192.14496	0.8
202.06062	0.8
217.12363	3.5
218.03368	2.5
223.13211	1.2
229.15071	0.9
235.03636	2.0
235.09856	1.5
235.13420	33.5
235.15840	1.7
252.58595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01932	0.7
65.00289	0.9
65.60618	0.6
65.99860	1.5
69.43900	2.8
88.36199	0.6
94.00604	1.6
101.96729	0.7
105.02213	1.5
117.02188	1.7
120.00900	0.7
132.32875	0.6
133.01715	16.3
134.00102	1.6
134.02502	3.2
145.01718	1.4
160.00470	1.0
161.01192	16.4
162.01979	60.8
163.02766	11.5
173.01123	1.2
174.02043	0.8
176.03532	2.5
177.00609	0.8
177.04324	1.2
178.05046	3.9
189.00681	80.8
190.01086	2.6
204.03038	10.5
205.03583	0.8
221.03304	100.0
222.03938	9.1
236.05669	16.5
239.71664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75147	1.3
59.01372	5.4
71.01398	15.0
73.63105	1.1
78.95908	1.6
82.26683	1.2
84.03416	1.2
90.93320	1.1
92.05090	7.9
105.01930	4.2
115.00382	27.6
119.05084	1.3
120.04568	100.0
121.02965	27.0
121.04932	1.5
130.06616	1.9
132.04567	9.0
133.02943	2.2
134.03683	1.4
142.09265	1.2
146.06111	1.4
148.04031	7.3
148.07706	10.7
153.29425	1.4
164.97392	1.2
174.05617	13.8
192.06668	38.1
194.06131	3.5
206.06107	2.6
207.06934	7.1
208.06071	1.7
208.07713	15.3
218.04541	3.8
234.05717	2.0
235.06374	3.3
236.05609	30.2
236.07317	20.5
237.07663	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	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90214	1.0
78.49255	0.6
108.24687	0.5
108.75845	0.6
134.03749	0.7
136.05373	0.9
148.05327	13.0
149.09735	1.1
149.93228	0.6
162.37360	0.5
176.08334	0.9
177.09225	48.7
178.09570	1.6
190.10008	2.2
191.10783	1.6
192.11580	32.6
193.12003	1.6
201.09254	0.6
217.08699	4.0
218.09479	10.2
236.10567	100.0
237.11003	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	237.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74866	0.7
69.41138	4.3
70.63205	0.7
71.01388	19.5
75.00339	0.7
85.25555	0.7
91.33679	0.6
101.72562	0.7
115.00381	9.9
121.02970	100.0
122.03342	2.3
206.64767	0.9
232.11156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
51.23021	0.9
59.01390	6.6
69.27889	0.9
71.01388	10.5
71.44648	1.0
73.02934	1.9
75.46765	0.9
78.95905	3.0
83.01382	1.6
85.02937	1.3
87.00905	1.3
93.03426	2.9
106.04251	1.7
108.08665	1.0
115.00368	3.3
116.05882	0.8
121.02972	52.7
133.02950	8.1
134.03755	100.0
135.04071	2.1
137.02448	10.0
137.07210	1.0
139.03986	5.3
149.02489	2.1
149.06108	17.8
150.03209	1.5
151.33615	1.1
174.11882	0.9
177.05367	1.3
178.02733	49.5
179.03096	1.3
180.04225	1.0
193.01381	1.3
193.05087	13.8
205.07730	1.5
221.96367	1.0
222.01721	11.0
237.04042	64.5
237.07881	2.9
238.04391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0619
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
53.14563	0.7
57.03455	3.0
58.78603	0.7
59.01381	1.7
59.08351	0.7
61.43378	0.8
65.65768	0.8
70.56754	1.6
75.00881	1.6
78.95914	6.1
80.49783	0.8
85.02954	2.1
87.00884	100.0
88.01228	0.8
101.02461	0.9
106.34587	1.0
119.41264	0.7
129.01958	15.1
135.51328	0.7
137.41537	0.9
157.27737	0.8
196.48936	0.8
216.40015	0.7
237.06235	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	237.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14563	0.7
57.03455	3.0
58.78603	0.7
59.01381	1.7
59.08351	0.7
61.43378	0.8
65.65768	0.8
70.56754	1.6
75.00881	1.6
78.95914	6.1
80.49783	0.8
85.02954	2.1
87.00884	100.0
88.01228	0.8
101.02461	0.9
106.34587	1.0
119.41264	0.7
129.01958	15.1
135.51328	0.7
137.41537	0.9
157.27737	0.8
196.48936	0.8
216.40015	0.7
237.06235	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	237.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.1
59.01392	2.9
71.01382	1.7
71.06450	0.5
72.99308	0.7
73.02969	0.5
75.00877	3.8
78.95915	10.0
85.02948	2.1
87.00884	100.0
88.01220	1.1
89.02477	0.7
92.96965	0.4
99.54744	0.4
101.02437	0.6
103.35789	0.4
112.39075	0.4
117.73224	0.5
129.01956	18.8
186.65610	0.4
194.93748	0.7
219.04970	0.7
237.06165	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	237.0768
Annotation	Radicinol
Peak:m/z	Relative Intensity
58.51049	2.0
59.01366	5.3
70.03297	4.9
71.01374	2.7
75.71912	2.4
85.02935	2.7
98.21970	2.4
103.05539	5.4
103.64074	2.1
105.07095	13.8
115.05556	5.4
118.04241	5.7
119.05003	8.9
121.02982	3.6
131.05042	16.8
133.06595	20.3
141.48038	2.2
147.04517	6.5
149.06081	3.7
162.03229	2.6
163.03987	2.9
164.89587	2.2
177.05579	5.4
179.07124	9.3
222.05247	8.7
223.13753	2.1
237.07680	100.0
238.08102	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	237.1498
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
56.19595	2.1
57.09749	2.1
59.01386	50.0
67.05547	3.4
67.65290	2.3
68.05726	2.4
69.03462	17.9
69.83618	6.2
70.68489	2.3
78.95924	3.4
94.92519	3.4
96.64737	2.9
96.96009	3.1
97.06601	45.7
98.22560	5.6
98.74445	2.4
103.18382	2.3
107.18694	2.3
110.35387	3.0
116.92912	2.5
121.02895	2.4
121.10244	8.8
123.00871	4.0
123.08173	51.6
139.07684	7.3
147.11769	8.5
150.86626	2.4
167.07083	6.0
175.14905	13.8
179.10765	7.3
188.24330	2.5
193.16026	3.3
218.02461	2.4
219.13957	5.9
237.11426	4.0
237.14969	100.0
254.49881	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	237.1498
Annotation	Oxyphyllenodiol B
Peak:m/z	Relative Intensity
50.10881	1.1
55.01888	1.4
55.55582	1.1
59.01387	7.0
60.29122	1.2
63.24596	1.1
71.01027	1.4
71.40437	1.1
78.95907	1.8
94.92562	1.9
116.92893	2.6
122.03754	8.6
125.09724	2.3
149.05756	1.6
163.07675	3.5
164.08046	4.6
165.12788	2.3
178.10007	12.1
179.10785	100.0
180.07924	2.6
180.11098	3.1
193.08615	1.6
219.13960	3.5
237.14893	78.8
238.15263	2.7
242.41800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01394	0.8
69.80290	0.3
83.08440	0.3
86.09531	0.3
96.48087	0.3
96.51263	0.3
98.22662	0.5
99.00886	0.5
107.05047	0.5
108.02196	2.1
109.02975	0.3
121.02960	0.8
121.06632	0.4
122.03745	8.1
123.04581	1.7
133.06674	0.4
135.04585	0.6
137.02409	0.4
139.07706	0.4
144.05841	0.5
147.08240	0.3
149.06096	0.9
149.09735	0.9
150.03235	100.0
151.03575	2.2
151.07626	1.2
159.08176	1.0
165.05579	20.9
166.06163	0.5
177.05620	0.4
177.09180	3.4
179.03526	1.0
179.05545	0.5
179.07156	0.3
180.04298	10.7
194.02211	3.6
195.06703	1.4
209.04558	44.9
210.04848	1.4
221.08142	0.4
223.02858	1.7
224.03281	2.0
228.70108	0.3
239.05602	38.3
239.09019	2.2
240.05959	1.0
254.07097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.3
59.96723	1.0
70.43575	0.4
70.78045	0.1
74.99078	12.2
75.96222	0.2
75.99017	0.2
79.22514	0.2
81.36156	0.2
88.92835	0.2
91.02216	11.0
93.00144	5.2
98.22048	0.2
148.27818	0.2
149.00967	5.8
150.00899	0.2
150.98915	0.2
175.39604	0.2
187.59132	0.2
195.13898	0.3
206.99727	3.1
207.99867	0.2
223.02844	100.0
224.02890	5.3
225.00775	0.2
239.05844	0.9
239.16536	0.2
241.03894	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	239.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73962	1.5
55.80400	1.5
59.01386	100.0
71.01385	40.7
72.99309	4.6
73.83534	1.5
73.87781	1.7
78.95907	2.6
85.02964	11.3
87.00887	2.6
89.02452	54.7
95.01407	3.2
101.02454	14.8
113.02468	14.9
119.03515	18.1
131.03513	4.3
135.04526	6.2
143.03496	2.5
149.04575	2.1
150.03362	1.7
161.04584	3.7
170.89897	1.5
179.05659	6.6
221.06694	6.0
223.02658	2.6
239.05531	3.5
239.07732	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	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
58.73232	0.3
59.01369	0.7
61.98830	0.5
66.13594	0.4
67.36304	0.3
69.81922	1.1
76.33537	0.3
77.28027	0.3
83.36306	0.3
94.04263	0.3
95.05032	1.5
96.96011	0.8
99.08215	0.5
101.06092	7.5
109.06597	5.8
111.08167	6.4
125.09712	1.3
135.11771	0.4
138.06874	2.9
139.04024	15.8
140.04373	0.4
151.11263	0.9
154.06377	35.1
155.06744	0.5
167.14424	9.9
167.15773	0.7
167.65495	0.4
179.10771	5.1
182.05861	4.0
195.13911	100.0
196.14268	3.2
223.02844	1.8
239.06767	1.5
239.12907	5.8
239.16414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.03450	93.6
59.01391	1.4
64.80437	0.6
69.03461	5.5
71.05019	3.3
71.41215	0.7
81.07124	1.5
95.05035	1.4
97.06610	2.4
107.05022	2.9
108.02277	0.5
109.06593	18.0
109.10235	1.4
111.04481	0.6
120.05825	2.7
121.06606	0.7
123.08170	31.8
125.06113	0.6
125.09736	5.4
133.10245	0.8
135.08160	7.4
137.09747	0.8
149.09724	0.7
151.11284	24.8
152.11601	0.6
177.09172	0.7
177.12895	2.8
179.10791	5.7
193.12375	0.8
195.13908	78.2
196.14253	2.5
223.02844	2.0
224.76657	0.6
239.12895	100.0
240.13211	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	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01395	3.2
61.98853	0.8
83.05009	0.8
96.96014	1.4
150.18829	0.7
163.63644	0.6
169.45265	0.7
177.12846	3.3
195.13911	100.0
196.14262	3.6
203.10770	0.8
217.13252	0.7
221.11948	0.8
223.02911	5.0
239.06607	0.8
239.12895	10.0
239.16638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41351	0.5
53.52098	0.5
59.01387	3.2
63.10866	0.6
69.23995	3.1
83.47572	0.5
85.02956	0.5
87.84570	0.5
96.96028	0.9
136.79982	0.5
140.98846	0.6
177.12862	2.0
188.81779	0.5
195.13913	100.0
196.14264	3.4
223.02802	4.9
224.84138	0.5
239.12910	3.2
259.01178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1655
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
59.01398	2.6
61.98842	0.6
66.72906	0.4
71.01395	0.6
74.99086	0.8
83.32497	0.5
91.02227	0.7
97.06589	2.3
109.79383	0.4
117.45601	0.4
123.08195	1.9
125.09737	10.5
126.10036	0.6
138.91061	0.5
141.09235	13.4
151.07681	1.0
151.19749	0.4
157.14072	0.5
159.30417	0.5
162.16933	0.5
168.35878	0.5
169.08719	31.3
170.09122	0.7
177.01479	0.5
179.14392	2.6
190.59911	0.4
195.14020	0.4
195.17538	0.7
201.71550	0.4
221.15504	4.8
223.02824	4.4
239.16548	100.0
240.16847	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	239.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44145	2.3
57.03443	5.6
59.01390	16.0
71.05017	4.3
74.99055	4.9
84.31966	2.3
85.06588	6.8
91.02188	2.6
115.04026	24.0
123.00938	3.1
131.64894	2.4
137.24269	2.5
185.62462	2.7
195.13928	5.5
213.11929	2.6
214.31932	2.5
221.15442	7.3
223.02849	25.2
226.44807	2.7
239.06929	3.1
239.16542	100.0
240.17053	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	239.1655
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
52.69710	2.8
52.96323	2.6
56.09063	2.8
57.03444	12.9
59.01381	10.0
61.98851	3.4
69.41997	5.7
69.42389	9.2
72.99289	3.1
91.26363	3.0
96.15657	3.9
96.95988	7.9
101.06097	5.2
101.55432	2.8
113.09727	41.8
116.92811	3.3
125.06113	3.8
139.04019	5.5
139.11383	3.5
147.00891	3.5
154.06409	13.8
156.90424	4.2
157.12372	4.0
167.14439	3.3
182.05856	5.2
195.13876	37.3
195.17587	15.5
221.15431	6.0
223.02861	24.7
239.06770	9.1
239.12982	5.6
239.14020	5.9
239.16530	100.0
240.16895	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	239.2018
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
52.39953	0.5
56.91415	0.4
59.01384	6.4
64.57536	0.4
67.51320	0.5
69.77955	1.6
71.01375	1.0
76.29988	0.4
91.69627	0.4
95.01436	0.6
96.96008	1.1
97.54191	0.5
117.71011	0.5
151.00560	0.6
154.06335	0.5
163.93105	0.6
179.06972	0.7
181.27782	0.5
195.13924	2.1
207.04111	1.9
221.19070	1.4
223.02875	2.1
224.02927	0.6
239.06769	8.4
239.20187	100.0
240.07242	0.6
240.20494	3.7
252.53041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0667
Annotation	1,3-Dihydroxy-N-methylacridone
Peak:m/z	Relative Intensity
54.70032	0.9
56.64631	1.1
70.46739	2.2
70.47076	0.9
85.50761	0.9
91.44757	1.0
93.03484	2.0
98.09268	1.0
103.42858	1.0
120.04539	1.2
142.02997	2.0
148.38155	1.0
158.02505	1.3
159.03244	2.8
161.01291	1.1
183.03279	23.8
184.04074	1.5
186.01988	1.6
196.07704	16.4
197.04750	2.4
223.75684	1.1
224.03029	1.2
240.06683	100.0
241.07059	4.8
242.70746	1.1
243.44426	1.0
262.59525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.072
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
55.57636	1.1
56.71368	1.0
59.01384	84.0
67.01886	3.7
69.03459	1.5
70.93156	1.7
74.09839	1.1
76.19200	1.0
77.69374	1.1
80.07716	1.2
81.03472	3.9
88.13174	1.2
93.03461	1.2
95.01410	3.0
97.06609	1.5
100.07169	1.1
107.01396	7.5
108.02193	16.4
109.02972	2.0
111.00906	3.3
119.05029	17.7
121.06609	2.0
122.03739	2.6
123.00889	10.5
123.04535	35.4
124.01680	1.6
125.02448	3.3
134.03807	1.5
135.00905	7.1
137.02478	2.6
138.03253	5.1
139.00401	4.6
139.04034	6.0
145.06633	1.6
147.04666	1.3
150.03258	4.6
151.00432	2.1
151.04031	1.2
151.07704	3.8
152.01134	2.4
153.01949	21.0
153.05634	3.6
163.00383	72.1
163.07669	4.4
166.02765	3.9
167.03500	6.9
178.02728	85.1
179.03276	3.2
179.10771	2.2
181.01442	42.7
182.01845	1.2
182.05876	1.9
183.06635	25.7
184.06888	1.2
193.05078	60.3
194.05566	1.3
194.99393	2.0
195.02950	1.4
196.03795	13.2
197.04085	1.1
211.02602	4.7
211.06129	100.0
212.06480	4.4
226.04822	11.5
241.07208	59.1
241.10864	38.5
241.18239	1.9
241.21828	3.9
242.07407	1.4
242.11285	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01387	19.6
60.99310	1.1
62.50461	0.7
69.03467	1.3
71.25454	0.7
72.99331	1.3
75.15102	0.6
83.05022	1.4
87.54313	0.7
97.06599	2.1
107.05026	0.7
107.08656	2.8
109.06609	2.4
135.11801	1.3
138.74907	0.7
151.00302	0.9
151.11238	1.3
153.12836	1.3
179.10814	11.0
181.08754	3.6
195.10243	4.7
197.11842	100.0
198.12196	2.6
199.09784	19.9
223.09720	1.2
241.04950	0.8
241.10858	23.2
241.14494	1.1
241.21741	1.5
242.11055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
51.52843	0.4
51.62856	0.4
55.06045	0.4
59.01386	100.0
60.87317	0.4
63.46252	0.4
65.03989	0.8
67.01896	0.5
69.03454	1.1
70.02445	1.0
70.02768	0.5
73.02959	1.0
77.36916	0.4
81.03466	1.0
83.05038	0.9
85.02928	0.6
95.05051	1.1
97.02973	0.6
97.06606	1.3
103.25655	0.4
107.05022	0.8
109.06606	0.5
119.05048	22.6
121.06619	2.6
123.08184	0.9
124.00739	1.5
130.04294	0.5
135.08131	0.8
137.09715	1.0
142.04828	0.5
143.08696	0.5
145.06596	2.6
151.07681	5.1
161.09738	1.4
163.07660	4.3
179.10847	2.3
197.11731	1.0
199.09778	0.4
239.51498	0.5
241.10835	40.4
241.21709	1.0
242.11090	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1085
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01886	0.6
57.03439	1.4
59.01369	1.1
68.65965	0.4
69.03477	3.1
69.87260	0.4
71.05034	4.3
71.42866	0.5
77.72256	0.4
78.53882	0.4
79.37133	0.4
81.03444	0.6
83.05029	3.5
95.05055	0.5
123.08170	0.9
125.09742	2.8
137.09703	0.7
149.51172	0.4
151.11292	1.1
153.12854	3.2
161.09718	1.3
162.41769	0.5
169.12387	0.6
179.10825	7.1
197.06099	1.7
197.11852	100.0
198.12186	2.8
206.02403	0.5
213.16109	0.5
223.09729	2.4
226.05086	0.8
241.10841	71.2
241.21791	1.0
242.08244	6.3
242.11140	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	241.1084
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.42735	1.3
52.41054	1.3
57.03441	4.3
58.00599	2.2
59.01080	3.0
59.01383	59.8
69.03455	5.1
70.91439	2.7
71.01372	1.6
71.05028	1.5
72.99317	4.4
73.02953	2.5
85.02958	2.7
87.04532	17.8
95.05017	1.9
97.02966	2.7
102.74991	1.4
107.08676	14.7
111.09386	1.4
123.08182	1.6
124.47827	1.4
133.06593	1.6
135.08167	6.0
136.60347	1.8
137.09726	29.8
139.11284	4.0
145.46114	1.4
151.07645	2.0
151.11305	1.7
167.10851	1.6
169.12358	11.6
181.08728	16.4
185.11771	2.0
197.11813	2.5
198.05710	2.0
199.09769	100.0
200.10089	3.4
213.05528	1.5
213.11346	7.1
222.98817	1.9
223.09898	1.5
241.06186	5.6
241.10826	14.2
241.14438	1.5
241.18098	1.9
241.21721	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	241.1811
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
59.01396	0.5
59.29359	0.5
69.75328	0.4
69.75657	1.6
134.89491	0.8
148.65234	0.4
197.15497	0.7
211.17058	21.9
223.17043	13.3
239.16516	0.5
241.18111	100.0
242.18471	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	241.1812
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
51.06974	0.8
59.01378	7.7
61.98835	0.9
66.78961	0.7
69.25046	1.9
69.25426	2.1
71.01388	3.1
80.05195	0.7
109.06603	10.6
113.09713	3.8
114.97097	0.8
120.48930	0.8
127.07666	47.5
127.11283	1.7
127.47253	0.7
134.89485	6.1
141.09279	0.9
148.26610	0.9
160.84190	0.9
162.83955	1.0
191.95235	1.0
195.17682	0.9
206.82491	2.8
223.17018	7.8
241.05197	1.3
241.18106	100.0
241.79468	4.3
242.18269	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	242.052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22242	16.1
61.98837	100.0
70.21774	45.8
71.83710	16.8
86.60962	17.3
237.24757	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	242.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98594	1.2
59.04220	1.3
70.56243	1.5
70.56577	1.2
71.10625	1.1
93.03437	2.5
97.81207	1.1
98.55651	1.1
100.57253	1.1
110.02468	1.2
121.02950	10.4
134.89461	2.9
144.12498	1.2
144.73148	1.3
146.02512	9.0
147.03320	12.4
158.02489	4.8
158.03746	8.3
159.04544	16.1
170.02527	2.3
171.03264	5.7
171.08157	3.3
181.15947	7.9
187.07616	2.0
200.04938	2.3
206.82484	2.3
215.07146	100.0
216.07417	4.0
224.16542	1.8
225.15004	12.2
241.79391	3.0
242.04550	1.6
242.08255	22.8
242.17645	33.5
243.15999	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74582	1.8
57.03439	3.4
59.01384	42.0
65.03973	2.7
66.03480	2.1
67.01901	3.1
68.99849	1.8
69.03464	15.8
71.01390	53.6
71.05013	11.4
73.02959	3.0
81.03461	13.9
82.02976	6.6
83.01379	5.0
83.05034	38.9
85.02959	23.7
87.00888	3.8
89.02395	1.7
93.03471	49.7
93.35683	1.8
95.01398	4.0
95.05038	4.2
97.02962	77.7
98.99367	2.1
99.00881	7.5
99.04531	90.9
100.04874	2.5
101.02466	4.2
105.01960	5.8
107.05029	1.6
109.02966	100.0
110.02499	16.9
110.03224	3.6
111.00896	6.0
111.04527	39.2
113.02467	2.9
115.00381	2.6
115.04005	9.9
117.00473	3.9
121.02911	4.2
123.04552	4.5
124.01639	3.8
125.02471	9.0
126.98837	2.7
127.04025	70.5
129.04074	3.8
132.98178	2.6
133.02979	6.1
137.02444	7.2
139.04022	76.2
141.00475	6.4
145.01471	7.2
148.86728	1.8
151.04027	49.3
152.03503	2.8
153.01942	6.8
155.02051	12.8
155.03529	22.3
157.03624	6.2
158.03172	2.8
168.12154	1.9
171.01636	1.9
171.03059	6.3
171.05138	3.8
183.01492	18.6
183.03030	42.9
183.99355	2.8
184.01099	2.2
184.03322	2.1
186.99219	2.4
197.03082	15.3
198.97960	2.0
199.06123	5.3
200.05692	6.4
201.90170	1.9
219.72534	1.7
226.00357	3.4
243.05164	88.7
244.01407	4.9
244.05597	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	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01385	5.8
66.03495	14.4
68.01418	1.2
69.57779	4.1
71.01377	4.3
78.05003	0.8
82.02989	30.5
83.01385	2.1
83.79899	0.9
84.04543	1.0
94.03007	2.2
96.04548	2.8
97.02962	0.9
97.43322	0.9
108.04565	2.2
110.02489	100.0
111.02020	5.3
111.02749	1.9
122.02503	8.9
124.04069	3.7
127.04059	0.9
140.03545	9.3
152.03551	19.3
153.03038	9.5
164.03775	1.0
182.04620	1.1
200.05649	35.6
201.06184	1.0
243.06236	24.4
244.06613	1.6
253.85515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0657
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
60.41427	0.1
65.00298	0.1
65.03957	0.5
67.01897	0.4
67.26873	0.1
69.03453	0.2
69.69123	0.1
79.01907	0.3
79.05537	4.0
81.03457	1.4
89.03996	0.6
91.01890	0.2
91.05550	0.6
93.03467	0.2
95.01424	0.1
95.34505	0.1
97.02975	0.1
103.05541	1.0
107.01399	0.9
107.05035	9.3
108.05399	0.2
109.02964	0.3
113.80126	0.1
115.05536	0.4
117.03484	0.1
117.07139	0.1
125.02453	0.1
128.06332	1.5
129.07155	0.6
130.03279	0.1
130.04256	1.5
131.05005	0.3
131.08665	0.2
132.02190	0.4
133.02986	0.1
135.00893	0.3
139.05557	0.1
140.06352	0.1
141.07114	0.3
142.07895	0.1
143.04933	0.1
143.08676	1.4
145.02940	0.1
145.06586	0.1
147.01135	0.1
153.07079	0.1
154.07886	0.3
155.08676	8.0
156.05830	2.4
156.09019	0.3
157.06525	0.3
158.03764	0.4
159.04578	0.1
159.08167	0.4
160.01677	0.2
161.02507	0.1
167.05028	0.1
169.06590	0.5
170.07381	0.6
171.04713	0.2
171.08165	8.2
172.05312	0.5
172.08536	0.4
173.06036	0.5
174.03194	0.1
181.06613	2.3
182.03741	0.1
182.06798	0.1
183.04509	0.9
184.05296	0.4
185.06012	0.2
187.07664	1.4
188.01128	0.1
190.02618	0.1
197.06100	1.2
198.06879	0.8
199.07651	14.1
200.04816	0.4
200.07961	0.6
203.03711	0.1
214.06340	0.1
215.07130	4.6
216.07533	0.1
225.05591	1.0
226.06334	0.1
227.03519	0.2
228.04291	0.8
229.05037	0.1
242.05896	0.1
243.06622	100.0
244.06963	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	243.0664
Annotation	2,3,5,7-Tetrahydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
64.58287	0.3
65.21738	0.3
70.57842	0.6
75.98729	0.3
85.00433	1.1
89.03970	6.7
107.05022	0.7
108.02169	0.5
111.78974	0.3
116.92852	0.4
117.03485	0.8
124.65755	0.3
129.07117	1.3
130.04243	0.8
133.02954	0.4
134.89467	0.5
136.89149	0.5
137.02461	0.4
138.01976	0.3
143.08644	0.6
145.02956	0.4
147.00980	0.4
147.08183	0.5
153.07092	0.4
155.08662	1.0
156.05818	0.4
157.06598	1.0
158.03813	0.4
159.04544	0.4
160.01680	1.7
161.02454	19.5
162.02982	0.5
169.06586	1.3
171.08170	2.8
172.05347	0.5
173.02469	0.9
173.06032	0.9
174.03235	2.6
176.01178	0.4
179.83781	0.3
180.05832	0.4
181.06604	9.3
183.04599	0.3
185.02469	0.6
187.07620	1.3
189.01959	4.1
196.05246	0.7
197.06102	3.0
199.03976	1.6
199.07628	1.7
200.04753	0.5
201.01953	5.5
201.05576	1.7
202.02794	0.5
210.03273	0.6
213.01942	1.4
215.03557	0.3
215.07129	2.1
224.04843	0.7
225.05585	31.0
226.05937	1.5
227.03552	2.9
227.07236	0.9
228.04291	2.2
229.05011	0.6
241.05182	0.6
243.06622	100.0
243.79008	1.1
244.07098	5.3
262.43900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45951	0.4
56.20239	0.3
60.74284	0.3
69.23811	1.9
89.03456	0.5
89.03979	6.8
116.02714	0.5
129.07106	0.8
130.04274	0.4
132.02214	0.5
137.82661	0.3
140.01181	0.3
140.17668	0.3
143.08669	0.5
155.08670	0.4
156.05823	0.7
157.06593	1.0
159.04498	0.4
160.01678	1.8
161.02460	20.1
162.02725	0.5
169.06578	1.2
171.08182	2.3
173.06102	0.6
174.03209	2.4
180.05771	0.5
181.06612	9.1
182.03734	0.5
185.02527	0.4
187.07660	0.9
196.05278	0.7
197.06096	2.9
199.03979	1.2
199.07689	1.1
200.04724	0.5
201.01926	0.4
201.05573	1.3
202.02733	0.8
210.03293	0.5
213.01936	1.3
215.07138	1.2
224.04811	0.7
225.05585	31.2
226.05948	1.4
227.03465	2.7
228.04256	1.4
243.06628	100.0
244.06966	4.4
254.40648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
65.03954	0.6
67.01888	0.6
69.03471	0.5
79.05549	4.4
81.03477	1.4
85.00436	1.3
89.03968	0.8
91.05547	0.8
101.21734	0.4
103.05540	1.5
107.01401	1.0
107.05045	8.4
110.02518	0.9
115.05542	0.5
121.02936	0.5
127.45032	0.4
128.06326	1.4
129.07219	0.5
130.04239	1.9
138.11456	0.4
141.78487	0.4
143.08690	1.5
146.02516	1.1
155.08696	8.3
156.05859	2.4
156.09100	0.5
157.06604	0.5
158.03764	0.5
159.08263	0.4
169.06549	0.6
170.07387	0.8
171.04462	0.5
171.06812	0.8
171.08162	7.1
172.08527	0.5
173.06018	0.8
181.06587	2.4
183.04564	0.6
187.07661	1.5
195.81566	0.5
197.06148	1.0
198.06880	0.6
199.07661	12.2
200.07910	0.4
202.80670	0.4
215.07138	5.1
216.07524	0.6
225.05565	0.8
243.06635	100.0
244.07028	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0665
Annotation	Piceatannol
Peak:m/z	Relative Intensity
51.23700	0.5
56.67436	0.4
57.03447	0.5
59.01388	5.5
60.94489	0.5
69.08518	1.8
69.08917	0.8
71.01392	0.5
79.05518	0.5
81.03444	0.8
81.98405	0.5
83.01395	2.5
83.70782	0.4
85.12493	0.4
93.03474	0.9
109.02981	1.5
109.06590	0.7
110.12296	0.5
115.05527	1.5
117.03485	0.5
119.05051	1.4
121.02987	2.3
123.04497	0.4
129.07072	0.8
130.04256	0.8
130.08752	0.8
131.05025	1.0
135.04517	2.2
143.05029	1.5
145.06564	2.2
147.04526	1.9
155.05002	1.9
156.05861	1.3
157.02982	0.8
157.06593	5.6
158.03755	4.6
159.04532	16.6
160.01669	1.3
160.04999	0.6
161.02477	2.5
162.03250	1.2
163.03984	1.6
164.37888	0.5
165.09187	0.6
169.06586	1.2
171.04520	4.4
171.08145	0.8
172.05322	10.4
173.02446	0.6
173.06090	13.7
174.03188	1.6
174.06409	0.5
175.04021	5.9
175.07668	0.6
181.06601	2.1
182.03729	5.3
183.04544	7.4
184.05319	2.4
185.02429	4.5
185.06076	0.9
186.03256	4.0
187.03976	1.1
187.07649	2.7
196.05322	1.3
197.06107	4.4
198.03212	1.5
198.06825	0.9
199.04012	11.8
199.07655	3.4
199.18272	0.6
200.04807	16.1
201.05586	47.0
202.05919	1.4
210.03278	0.8
213.05615	1.6
214.06349	1.5
215.03572	1.0
215.07152	8.9
224.04779	0.8
225.05603	9.9
226.06136	1.0
227.03474	1.0
228.04399	3.3
241.05087	0.8
242.05804	1.4
243.03075	9.1
243.06633	100.0
243.11929	4.2
243.17094	1.5
244.03441	0.9
244.07014	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	243.0665
Annotation	Eriobofuran
Peak:m/z	Relative Intensity
56.19904	0.6
57.68874	0.6
59.01388	0.7
65.48536	0.7
71.02772	0.5
71.45759	0.7
85.00451	2.1
89.66556	0.6
93.88363	0.6
94.50157	0.6
108.02187	0.9
110.02448	1.0
115.05519	1.0
130.04254	1.1
131.04968	1.1
134.89558	1.1
142.52003	0.6
143.05032	0.8
145.02933	1.6
147.04529	2.9
151.48871	0.7
151.79181	0.6
156.05832	0.8
158.03743	7.2
159.04526	11.3
161.02446	1.0
171.08192	2.3
173.06053	0.9
175.04027	39.7
176.04305	1.3
185.02464	22.6
186.03018	1.3
187.04022	3.9
199.04015	1.0
200.04819	3.2
213.01984	8.2
214.02769	2.3
215.07182	9.6
226.35899	0.8
228.04256	1.1
243.06650	100.0
243.79045	1.7
244.07004	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	243.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34442	0.8
57.03452	1.6
59.01389	63.4
69.03471	1.5
69.08691	2.0
69.09104	4.2
70.79104	0.6
71.01371	0.8
71.05065	1.0
71.87817	0.8
72.99316	10.6
85.00445	0.7
86.33919	0.7
98.21889	1.5
107.08665	3.1
109.10226	3.5
117.01931	0.8
121.10268	1.8
123.08236	0.8
125.09743	2.2
135.08012	0.9
137.09775	1.1
139.11276	3.4
155.08635	1.0
155.10796	4.3
174.29796	0.8
183.10281	63.0
184.10570	1.8
201.11346	100.0
202.11707	3.3
215.07457	0.8
218.55878	0.8
243.12360	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	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
54.37389	0.7
55.01868	1.0
57.03462	0.7
59.01380	3.1
69.13714	5.3
71.01398	1.2
71.05022	4.7
72.27401	0.8
75.48447	0.9
75.65356	0.8
75.65803	0.7
83.05013	1.8
90.37500	0.7
90.38068	0.8
97.02957	6.5
97.06612	2.7
98.21901	1.9
99.00895	24.3
106.00514	0.7
109.06573	1.2
110.03777	3.9
123.08160	1.4
125.09720	7.1
127.11282	1.8
135.08177	0.9
136.05298	1.5
142.02756	1.4
155.14433	2.0
163.11290	11.3
164.11697	0.9
179.10742	1.2
181.12369	27.0
181.13934	1.6
183.10245	0.9
197.11855	1.4
199.13412	19.4
201.11357	1.8
207.10286	51.7
208.10587	1.7
222.12346	0.9
225.11351	100.0
226.11711	2.5
243.12395	92.4
244.12740	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	243.1239
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03450	0.5
57.14943	0.4
59.01379	1.1
68.86665	0.4
69.10330	2.5
71.05022	3.0
83.05030	1.2
85.00448	0.5
89.26813	0.3
97.02951	3.8
97.06601	1.1
98.21899	0.9
99.00890	17.6
107.05008	0.5
108.00367	0.8
109.06619	1.1
110.03745	2.3
123.08127	1.0
125.09731	5.0
129.07043	0.4
129.78905	0.4
135.08176	0.8
136.05325	0.8
142.02710	0.6
148.99637	0.4
153.12819	0.4
155.14449	1.7
158.06102	0.9
161.02466	1.4
163.11282	6.6
168.08632	0.3
179.10751	0.6
181.06593	0.6
181.12355	17.4
182.12761	0.5
189.09131	0.4
196.33743	0.3
197.11867	0.7
199.07594	0.5
199.11470	0.5
199.13402	12.9
207.10275	34.2
208.10605	1.0
225.05670	2.2
225.11333	72.1
226.11635	2.6
243.06851	9.0
243.12373	100.0
244.12703	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	243.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05614	0.4
59.01368	1.6
66.03491	1.3
66.55517	0.4
67.01880	0.5
69.03438	0.5
71.43247	0.4
82.06628	7.1
84.08192	1.4
86.07719	0.4
93.03471	2.6
110.02491	0.5
112.07690	1.5
113.87591	0.4
114.09258	1.0
119.05025	0.7
121.02959	1.1
129.10361	5.8
130.08751	47.4
133.02953	0.7
134.03767	0.8
135.04529	3.7
141.10370	0.9
156.64529	0.4
162.74467	0.4
163.03972	0.6
171.04457	0.5
173.04550	0.7
176.04036	1.6
179.03497	0.7
182.15521	5.0
191.05611	0.7
198.71346	0.4
199.18166	27.2
200.18501	0.7
201.11330	1.3
205.37762	0.4
243.06680	1.1
243.17149	100.0
244.17451	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	243.1967
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
53.43351	1.5
59.01387	100.0
64.39697	1.7
69.16529	9.6
74.79211	1.4
79.87170	1.5
85.00428	3.4
90.90349	1.9
93.62283	1.5
98.22642	2.8
107.02837	1.5
107.51385	1.6
110.02526	1.8
114.17890	1.5
116.92893	3.8
134.60519	2.0
161.39633	1.6
177.69891	1.5
180.73389	1.7
213.02197	1.8
224.68376	1.8
243.15982	2.9
243.19705	29.5
264.20218	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	244.0617
Annotation	Heliparvifoline
Peak:m/z	Relative Intensity
56.62618	0.2
59.01370	0.3
63.60896	0.2
70.71396	0.3
75.90537	0.2
113.41796	0.2
131.05057	0.5
132.90594	0.2
140.05101	0.5
157.05319	0.4
158.06125	100.0
159.06477	3.4
182.06122	0.2
190.08347	0.2
200.07184	2.7
202.05196	0.3
244.06158	26.6
245.06499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0617
Annotation	Heliparvifoline
Peak:m/z	Relative Intensity
55.31113	0.5
58.06865	0.5
59.01374	0.7
69.07852	2.1
69.08275	2.0
69.70390	0.5
79.91879	0.5
93.22559	0.5
105.02295	0.6
115.05539	1.0
121.02969	1.3
127.05529	1.9
131.05034	2.7
139.05536	0.9
145.06609	2.1
146.02499	2.2
147.03271	1.5
147.04448	0.7
154.04242	5.4
155.05051	12.9
156.05850	6.5
157.06607	43.8
158.03729	0.7
158.06100	1.8
158.07175	0.6
159.04526	2.2
173.06119	1.4
174.03265	2.1
182.03743	7.5
182.06171	1.3
183.04524	100.0
184.04930	3.7
188.04848	0.9
189.09227	2.0
191.93549	0.6
193.85429	0.5
200.07196	5.2
200.13838	0.7
201.05577	4.9
201.07297	0.7
217.08710	8.8
227.03534	30.3
228.03841	1.5
244.06171	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	244.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29002	0.4
53.76771	0.4
57.02884	0.5
61.98812	0.9
70.23754	0.5
70.49375	0.5
70.49709	0.9
77.03973	0.5
79.05532	0.9
93.03474	0.6
103.05522	0.7
104.02694	5.1
107.05038	1.8
108.89477	0.4
117.03471	1.4
120.02193	0.8
129.07106	0.8
131.05029	0.7
132.02216	0.5
133.02963	2.6
134.89503	1.1
135.16861	0.6
136.89200	1.1
145.02962	5.6
148.01672	3.7
155.08684	2.5
157.06598	14.6
159.04547	0.7
161.02470	3.9
162.83920	0.5
171.08154	3.1
172.08955	16.9
173.02435	1.6
173.06039	2.8
173.09332	1.0
181.06628	0.7
183.04712	0.6
183.08128	0.7
185.06049	2.4
187.03931	0.6
187.07655	4.9
188.08418	4.2
189.01955	6.9
190.02669	1.9
198.06839	1.9
199.07664	21.7
200.08215	1.2
201.01956	10.0
201.05573	11.8
202.05930	0.7
203.03528	11.0
208.82082	1.0
212.04732	0.8
215.07095	2.9
216.07944	6.6
222.01788	0.7
225.05611	2.2
226.15227	1.0
227.07123	7.0
229.05074	15.2
230.05673	1.1
243.06625	45.8
243.79147	1.4
244.07405	100.0
244.16402	1.7
245.08018	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	244.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29866	0.3
50.76526	0.3
52.98134	0.3
62.29621	0.3
69.61710	0.9
69.62110	0.7
71.05742	0.3
76.43751	0.3
89.03981	7.5
93.52397	0.3
104.02705	0.9
117.03488	13.3
119.05006	0.5
130.04285	0.4
131.05069	0.3
143.05125	0.4
145.02968	3.9
148.01653	0.7
157.02962	0.5
157.06613	0.5
159.04478	0.5
161.02469	8.9
162.02951	0.4
163.04027	2.3
163.98410	0.3
167.05020	0.4
171.08270	0.3
173.02455	7.7
173.06047	0.5
173.35483	0.3
174.03156	0.4
176.01187	0.9
177.79831	0.4
181.06590	0.9
185.06096	0.6
187.04054	0.4
188.04860	0.5
189.01956	74.8
190.02373	2.9
193.76779	0.3
197.06068	0.4
201.01956	100.0
202.02336	3.5
203.03539	3.2
211.03979	2.3
212.04755	0.7
214.02705	0.9
215.03525	6.1
215.07062	0.6
225.05595	10.6
226.06206	1.0
227.07162	19.5
228.04317	7.0
228.06741	0.4
228.07613	0.6
229.05066	14.1
230.05449	0.6
243.06638	20.7
244.07413	33.4
245.07927	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	244.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09535	0.8
60.47140	0.8
61.98848	1.1
62.83211	0.9
66.22675	0.8
69.42634	2.1
69.43027	1.4
70.55374	0.8
79.05544	1.0
79.11800	1.0
79.39046	0.8
79.69097	0.8
81.03506	1.1
88.51208	1.0
98.21928	1.2
98.52332	0.9
104.02696	8.6
107.05022	2.7
116.89646	0.8
131.05028	1.3
133.02971	4.2
134.89494	1.2
145.02950	6.3
148.01669	5.6
155.08653	4.0
156.05753	0.9
157.06595	1.0
159.04514	1.9
161.02470	5.5
171.08195	5.0
172.08958	7.5
173.02419	2.1
173.06065	2.9
181.06615	0.9
185.06084	3.1
187.07678	8.1
187.09221	1.2
188.08432	5.1
189.01952	8.0
190.02669	2.4
198.06903	2.1
199.07669	30.8
200.08035	1.6
201.01929	12.0
201.05563	5.7
203.03526	12.3
215.07124	3.0
216.07872	5.4
225.05563	2.9
227.07150	8.8
229.05078	12.9
243.06636	63.7
243.79150	1.5
244.07405	100.0
245.05591	0.8
245.07974	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	244.098
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63363	1.3
95.05038	7.6
96.93796	0.8
103.04272	0.9
108.02159	1.7
109.02977	5.8
118.02995	1.1
121.02165	1.4
121.02968	16.0
133.02963	1.5
134.03703	0.9
145.10226	1.7
146.02509	24.7
146.03705	3.0
147.03293	20.5
156.08105	0.9
156.45982	1.0
159.04510	1.5
160.05318	1.0
174.03242	19.6
174.06877	1.8
186.01994	1.1
189.09238	36.8
189.10970	1.8
199.07602	1.4
216.10281	8.4
217.08717	100.0
218.09027	3.0
243.18068	1.0
244.06149	1.6
244.09807	5.0
244.18181	1.9
245.08090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0435
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
54.93551	0.6
59.01391	0.8
66.91176	0.6
70.09554	1.3
70.09882	1.4
72.99317	26.1
78.95911	100.0
87.00881	1.9
96.96970	7.3
114.93581	1.1
116.91342	0.6
128.95999	1.1
130.96617	0.8
137.46365	0.6
142.96622	0.7
146.92575	2.4
150.98044	0.7
152.95996	17.4
152.99602	65.7
170.97032	28.7
171.00656	27.2
174.99196	1.4
176.39165	0.6
184.97672	1.0
202.95015	1.0
221.53043	0.6
244.90367	4.7
245.04323	64.5
246.04585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0456
Annotation	6-Methoxysorigenin
Peak:m/z	Relative Intensity
56.29545	0.2
58.22128	0.2
58.50661	0.3
69.61769	1.2
104.02686	3.3
117.03475	0.5
118.04278	0.8
120.02141	0.7
130.04250	10.1
131.04631	0.2
132.02162	1.5
133.02986	1.3
134.03839	0.3
145.02957	1.5
146.00069	0.5
146.03751	2.1
148.01680	2.6
157.02959	9.8
158.03748	3.5
160.01750	0.3
161.02461	0.9
162.03233	0.9
173.02443	1.0
174.03229	10.2
176.01166	9.2
177.01920	1.3
185.02432	0.3
186.03139	0.4
189.01906	0.8
190.02725	4.1
201.01936	3.2
202.02698	5.4
202.99889	0.6
229.01439	2.6
229.05054	0.4
230.02209	100.0
231.02563	4.5
245.04552	29.4
245.08199	7.8
246.04860	1.1
246.08545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68433	0.7
51.48178	0.8
52.66643	0.7
55.31831	0.8
57.03450	1.9
59.01383	32.5
59.88084	0.7
72.03789	0.8
72.99319	5.3
75.00898	1.3
78.95909	2.1
79.64574	0.8
81.03455	5.9
84.99308	1.9
87.00877	23.4
87.01390	1.6
93.03455	1.2
95.05034	4.7
97.02990	2.0
103.00385	13.1
105.01962	0.8
108.02200	1.5
109.02943	9.0
112.98816	21.9
113.06098	39.9
117.03486	0.9
119.05025	1.0
121.02949	3.2
122.03753	1.3
123.04537	5.4
130.99892	2.6
133.02960	0.9
135.04543	2.2
139.03999	1.4
143.05061	1.7
145.02974	2.1
145.06625	1.0
146.03786	4.2
147.04507	4.1
149.00937	29.9
149.02432	2.2
150.03204	0.9
152.99548	0.9
157.05450	0.9
157.06630	2.9
159.04526	14.6
160.05299	4.0
161.02481	1.7
161.06105	12.9
162.03238	2.2
173.02461	2.5
173.06094	5.8
174.03218	3.4
174.06879	1.6
174.99329	0.9
175.04013	12.8
175.07645	11.3
177.05635	0.9
184.05328	1.0
185.06145	1.7
186.06926	1.1
187.04028	17.3
188.04802	15.8
189.05408	1.0
199.07700	2.8
201.01987	4.4
201.05556	6.5
202.02681	1.5
202.06303	6.9
203.03545	6.7
203.07162	34.5
204.07539	1.4
212.04831	3.7
217.05070	2.9
217.08739	1.3
227.03564	0.9
227.07132	7.2
230.05894	2.3
245.04671	9.0
245.08231	100.0
246.08548	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	245.082
Annotation	Torachrysone
Peak:m/z	Relative Intensity
51.57853	0.2
57.03455	1.5
59.01376	0.2
67.01894	0.2
75.96001	0.2
80.02685	0.5
81.03464	5.7
83.05051	0.2
93.03485	0.8
94.20723	0.2
95.05031	3.7
97.02954	1.5
99.50311	0.2
108.02164	0.6
109.02959	7.5
115.05575	0.2
117.03506	0.2
119.05037	0.3
120.12984	0.2
121.02971	2.7
122.03779	1.3
123.04529	5.7
131.05037	0.7
133.02977	0.4
133.06599	0.6
135.04556	1.0
139.04033	1.2
143.05028	0.7
144.05815	0.2
145.02979	1.3
146.03745	3.1
147.04530	2.5
147.08067	0.2
149.02437	1.9
150.03203	0.6
156.05881	0.2
157.06599	1.7
158.03723	1.1
159.04526	10.7
159.08131	0.3
160.05313	3.1
161.02505	1.4
161.06088	12.9
162.03236	2.4
163.03967	0.5
171.08206	0.3
172.05226	0.3
173.02402	0.9
173.06094	3.5
174.03226	2.4
174.06856	1.1
175.04027	7.2
175.07652	8.0
176.08012	0.4
181.06619	0.4
183.04552	0.8
183.08270	0.2
184.05273	1.0
185.06090	2.3
185.77847	0.2
186.06827	0.4
187.04016	14.8
188.04799	12.6
189.05276	0.6
197.05989	0.2
199.07655	2.9
201.01947	0.4
201.05563	2.4
201.09288	0.4
202.06374	6.2
203.07149	34.7
204.07442	1.2
209.06075	0.5
211.03969	0.3
212.04810	3.4
215.07097	0.3
217.05112	0.8
217.08707	2.1
222.74603	0.2
226.06339	0.3
227.07156	7.0
228.07472	0.4
230.05853	2.4
245.08197	100.0
246.08554	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
71.42519	0.7
74.23890	0.6
74.42120	0.5
74.79226	0.7
87.00930	0.7
93.86115	0.6
113.79902	0.6
118.04259	8.0
130.04221	0.6
134.03708	2.8
147.47359	0.6
148.01688	2.8
161.02457	3.3
162.03224	4.5
162.91142	0.8
173.02457	0.8
174.03212	1.4
174.99255	0.8
176.01161	5.2
189.01981	9.0
190.02734	42.6
191.03053	1.3
201.00270	1.0
201.01984	9.8
202.02731	7.1
205.01439	1.4
215.03427	0.7
222.01707	3.7
229.05070	3.4
230.02188	2.2
230.05797	3.6
245.08203	100.0
246.08583	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	245.082
Annotation	4,4'-dimethyl[1,1'-biphenyl]-2,2',5,5'-tetrol
Peak:m/z	Relative Intensity
54.95913	0.4
69.67693	1.8
89.04001	0.4
104.02705	1.0
104.20698	0.6
105.03472	3.5
106.49942	0.4
109.06562	1.3
110.06876	0.5
114.17774	0.4
118.04267	6.9
126.90885	0.5
130.04260	0.8
132.02182	12.2
134.03798	2.2
145.03038	0.5
157.06583	0.5
157.10220	0.4
158.03787	2.1
162.03273	6.9
173.02403	0.5
173.09703	2.5
174.28529	0.4
185.06088	1.5
190.02736	23.0
191.03094	1.1
191.65895	0.4
197.01518	0.5
201.09229	4.1
202.02724	0.6
202.06268	0.6
213.05577	0.5
217.08719	1.3
222.01712	3.5
229.05014	2.5
230.05846	6.5
245.08214	100.0
246.08641	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	245.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36116	0.7
54.30931	0.8
58.02977	26.3
58.38255	0.9
64.92155	0.9
69.80184	1.1
69.80547	2.4
70.02982	14.0
72.00906	4.5
72.04553	5.4
74.02480	100.0
98.02485	22.2
98.22672	1.0
116.03552	27.0
116.05068	37.0
130.06628	5.6
142.06636	7.5
143.27904	0.9
145.99545	0.8
159.09303	5.7
183.09241	1.8
186.05588	1.6
197.40321	1.0
201.10336	7.1
203.08281	81.8
204.08611	2.1
245.09326	62.2
246.09590	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	245.0933
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
50.33587	0.8
50.45261	0.9
58.02978	24.1
65.04296	0.7
70.02984	15.8
70.70554	1.5
72.00912	3.7
72.04551	8.2
74.02478	100.0
75.02831	0.9
98.02483	24.7
116.03559	29.7
116.05072	36.6
129.05826	1.2
130.06651	5.0
137.65659	0.9
142.06635	8.4
159.09300	6.8
183.09286	2.1
186.05647	2.0
201.10345	8.8
203.08273	80.1
203.52386	0.9
204.08524	3.3
245.09319	77.4
246.09633	3.0
248.05246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03452	3.4
59.01384	59.2
68.73311	0.4
69.26416	1.3
69.26843	1.7
71.05007	0.6
83.01346	0.5
83.05027	1.6
83.29687	0.5
85.02964	7.6
87.00867	0.6
97.17319	0.4
99.08144	0.6
113.09722	2.4
123.08148	0.6
125.09742	0.9
127.11317	1.3
129.09187	0.7
139.11284	1.9
141.09189	0.7
142.06625	1.4
142.86479	0.5
148.02214	0.5
155.10742	3.0
157.12349	19.0
158.12680	0.6
166.51573	0.6
172.05278	0.5
185.11844	15.1
203.12894	100.0
204.06732	0.8
204.13240	2.7
245.04498	0.9
245.13960	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	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	0.6
59.01384	45.2
61.65931	0.6
69.61325	1.2
69.61701	0.9
70.02971	0.6
74.02470	2.5
78.95930	0.7
85.54874	0.5
90.98190	0.6
98.22573	1.1
108.02223	0.6
116.05094	0.7
123.04534	0.7
127.11308	5.4
139.11281	1.9
145.23224	0.5
155.10771	3.5
157.12363	19.4
165.05615	1.9
185.11855	14.1
203.12895	100.0
204.13226	2.9
245.04608	4.6
245.07198	0.7
245.08310	0.8
245.13892	4.1
260.84399	0.7
262.48132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1396
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03443	2.3
59.01389	3.2
63.23926	0.5
66.92743	0.5
69.41286	1.2
69.41675	1.9
71.05009	1.6
83.05029	1.7
87.00877	0.8
90.13290	0.7
90.53654	0.5
96.12235	0.6
97.06606	2.0
99.00922	0.9
111.08181	2.7
122.81352	0.5
125.09698	1.0
127.11275	0.5
152.45280	0.6
155.14449	2.2
157.00008	0.6
158.06013	2.6
159.06488	7.1
163.11319	0.8
165.12866	20.3
166.13235	0.7
181.12355	0.5
183.13913	18.5
184.14235	0.8
185.11739	0.6
199.13435	1.0
201.05603	0.7
201.14978	10.2
203.12865	3.4
207.10229	0.9
209.11844	13.8
225.11292	1.4
227.12906	55.5
228.13226	1.6
243.12338	1.1
245.06447	2.2
245.13953	100.0
246.14229	4.1
259.97861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0079
Annotation	2-hydroxyacetaminophen sulfate
Peak:m/z	Relative Intensity
57.20231	0.2
70.35352	0.4
73.79575	0.2
81.40121	0.2
82.10287	0.2
109.02996	0.2
118.02982	0.2
120.04549	0.3
121.05395	1.0
136.04211	0.3
136.05302	7.2
149.04590	0.2
151.04002	0.4
166.05103	100.0
167.05440	2.1
170.19449	0.2
188.35033	0.2
200.01482	0.5
246.00777	9.6
247.01057	0.3
249.04727	0.2
254.79135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	15.2
69.37886	8.7
85.77036	2.1
88.62398	1.7
102.75886	2.2
105.07098	3.7
117.07111	6.5
119.05039	3.2
130.04236	8.1
131.05054	7.8
141.07115	37.3
142.07477	2.3
143.05064	8.4
147.04507	3.3
151.04109	2.7
156.08211	14.4
157.06595	17.6
159.08173	63.2
173.06126	4.3
174.09221	3.5
184.07703	4.8
185.06120	10.0
186.05699	2.4
202.08737	51.5
203.07179	11.4
246.07739	100.0
247.05986	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	247.0613
Annotation	Misakimycin
Peak:m/z	Relative Intensity
59.01388	2.5
69.03470	1.8
69.44334	3.9
72.99310	0.9
73.02948	1.5
75.00875	10.0
77.04031	0.8
79.05537	2.9
81.03470	2.8
83.01382	6.8
89.02398	1.0
93.03458	2.4
95.05048	3.1
97.02943	7.1
98.21848	1.7
105.03479	1.1
107.05034	20.5
107.05727	1.4
109.02947	6.5
115.05557	1.2
117.07094	4.7
119.05045	2.2
121.02986	9.4
123.00774	1.2
123.04543	17.0
125.02517	1.1
125.06108	1.5
129.07195	1.0
130.04247	2.9
131.05058	4.6
131.08693	2.6
133.03000	6.5
133.06604	1.2
139.04042	3.6
141.07118	21.1
141.08224	1.1
143.05026	10.0
144.05858	8.0
145.06636	1.1
147.04549	2.6
148.01678	2.0
149.02455	34.2
151.04019	73.2
152.04451	1.3
157.06606	13.5
158.07394	1.1
159.04527	2.3
159.08163	77.6
160.08507	3.3
161.02440	1.3
161.06134	4.9
175.04062	2.0
175.07594	1.6
185.06082	14.5
188.04803	1.5
203.07146	28.4
204.07101	0.9
205.05148	2.2
205.07640	0.9
247.06148	100.0
247.08736	4.9
247.11569	11.2
248.06479	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	247.0614
Annotation	Ancistroquinone C
Peak:m/z	Relative Intensity
58.40671	0.6
59.01363	0.7
60.99300	1.2
71.01379	1.8
87.68890	0.6
99.33768	0.6
117.07108	1.0
119.05010	0.9
119.50307	0.6
127.05551	58.4
128.05908	1.8
130.04269	1.3
143.05032	26.7
145.02977	0.7
145.05519	1.1
145.06615	18.3
151.04024	2.8
155.05083	1.2
158.03741	20.8
159.08076	0.8
161.02481	0.7
171.04514	1.2
173.06093	100.0
174.06424	3.0
175.03972	0.9
180.03067	0.6
185.06129	0.7
188.04739	1.6
189.01932	0.7
191.07161	7.9
203.07162	2.6
217.05084	23.9
218.05548	0.9
219.08957	0.6
247.06137	42.9
247.13474	1.2
247.17050	1.4
248.06418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
62.31605	1.1
71.08773	1.2
73.04621	1.0
76.11911	1.2
81.03458	1.4
83.01396	7.4
93.03480	2.6
97.02972	1.0
97.84588	1.0
107.05041	8.7
109.02969	4.1
115.05524	2.5
119.05054	2.2
121.02966	2.5
123.04545	6.2
130.04221	1.8
131.05058	2.6
133.02939	3.5
133.06613	4.4
140.12613	1.0
141.07149	1.5
143.05038	22.0
144.05898	5.3
146.03697	1.1
147.04553	3.4
149.02432	5.1
151.04021	27.1
156.05872	1.7
157.06604	16.7
158.03752	6.9
159.04552	1.5
159.08176	24.4
160.05298	2.1
161.06099	8.8
183.04517	3.0
184.05301	45.2
185.06088	100.0
186.06406	2.5
188.04799	2.1
203.07184	13.1
229.05191	2.4
247.06107	8.7
268.53448	1.4
268.56253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42294	0.8
59.01391	1.9
65.03964	2.6
79.05534	2.0
81.03457	3.7
87.86082	0.8
88.97377	0.8
95.05025	1.0
106.04300	1.2
107.04294	1.9
107.05040	39.7
109.02948	10.2
115.07632	2.0
117.07083	1.2
121.02975	1.5
123.04556	5.0
131.08684	7.9
133.02979	11.8
141.07121	49.2
142.07460	1.7
143.04984	1.5
144.05852	1.7
149.02435	3.4
151.04018	100.0
152.04387	2.5
157.06587	5.1
159.04494	2.8
159.08168	21.4
184.49121	0.8
185.06082	31.6
186.06439	1.1
203.05363	1.1
203.07161	15.6
247.06099	21.5
269.60474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.4
60.41114	0.7
65.03949	1.4
68.11469	0.7
69.41826	3.8
79.05525	1.9
81.03471	4.2
87.00874	3.1
95.05021	1.4
103.00375	2.5
106.04336	0.9
107.05038	37.3
108.05364	0.8
109.02957	11.7
112.98795	3.1
115.07648	12.0
117.07157	1.3
121.02936	1.6
123.04547	5.3
131.05026	1.1
131.08704	6.8
133.02965	12.6
135.23262	0.7
141.07117	52.3
142.07436	1.4
143.04997	1.4
144.05847	0.9
147.04468	1.0
149.02455	2.2
151.04019	100.0
152.04393	2.0
157.06564	6.9
159.04572	1.2
159.08165	23.6
177.02032	1.0
185.06091	35.8
186.06419	1.5
203.03336	1.2
203.07138	16.4
204.07365	1.4
219.03052	1.7
247.02397	1.7
247.06123	19.2
247.08556	1.4
248.06630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26868	0.7
53.32582	0.6
57.44178	0.7
71.47591	0.7
79.05490	1.4
80.55267	0.7
81.03481	3.2
83.01396	3.3
85.80829	0.7
88.79832	0.8
106.04291	1.0
107.05038	34.1
109.02965	9.1
115.07676	1.2
121.02984	1.6
123.04538	4.1
131.05090	1.2
131.08656	2.1
133.02963	9.9
136.68512	0.7
141.07114	18.1
143.04012	1.2
143.05046	14.3
149.02428	1.6
151.04019	100.0
152.04359	2.1
157.06595	3.3
159.04567	1.2
159.08183	9.1
160.08646	0.7
161.06097	11.9
162.06390	0.7
183.04500	1.0
185.06084	11.0
203.07156	5.7
247.06128	17.0
248.06558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62354	0.7
59.01385	48.2
63.95702	0.7
65.55126	0.7
66.51715	0.7
69.41434	4.0
72.99310	1.5
84.99323	2.6
87.00886	20.8
98.21962	1.7
103.00385	15.2
107.05038	1.0
112.98820	31.1
115.07661	100.0
116.08011	2.2
116.83077	0.7
130.99870	2.5
141.07054	1.1
149.00926	1.8
151.04027	2.7
159.08208	0.9
178.56857	0.7
185.06032	1.2
188.04881	0.8
230.75375	0.8
247.06052	1.8
247.08299	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	247.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.5
59.01388	100.0
70.48742	2.4
72.99316	3.3
87.00889	21.7
89.02483	1.7
103.00381	40.2
107.05025	3.5
109.03016	1.2
115.07675	9.7
121.03028	1.2
127.05595	1.6
130.99887	16.9
133.02931	1.7
141.07130	4.7
143.05061	2.8
151.04037	12.3
159.08154	3.1
173.06131	2.0
185.06148	2.6
203.07150	2.4
246.06593	1.1
247.06131	4.7
247.08342	2.2
247.13298	1.5
247.15538	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	247.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77998	0.2
54.58728	0.2
57.03434	0.7
58.00588	0.4
59.01387	1.3
73.02956	4.4
83.05032	0.3
85.02965	0.3
87.00879	0.4
103.00336	0.3
107.05043	0.5
109.02974	0.3
124.09483	0.2
125.09747	1.8
127.11305	5.3
139.11281	0.6
141.07104	0.3
141.12799	0.3
143.10783	0.9
151.04016	0.7
155.10783	2.0
155.14397	0.3
157.12335	0.7
159.08151	0.3
165.09200	0.6
167.14401	0.4
171.10310	5.1
171.13954	0.7
177.36812	0.3
181.12312	0.7
183.10304	0.5
183.13866	0.3
197.11853	0.4
199.09720	0.5
199.13455	1.9
201.09496	0.5
201.11342	9.3
202.11646	0.3
209.11896	1.0
211.13402	1.9
213.11343	0.3
215.12881	5.1
219.02887	0.3
227.12891	2.5
229.14465	10.5
247.15521	100.0
248.15855	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	247.1703
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
53.41346	0.1
63.48123	0.2
69.29217	0.9
80.54997	0.1
88.12003	0.2
89.93991	0.2
91.98390	0.1
179.17274	0.2
205.15967	0.4
220.17076	0.7
231.13916	0.6
247.17044	100.0
248.17397	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	248.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30838	0.5
75.28204	0.4
95.98044	0.5
118.02966	0.6
145.01648	0.5
146.02477	1.2
148.04028	0.8
161.01149	0.6
162.01964	1.9
164.03555	1.7
168.02977	1.0
174.01984	1.9
176.03537	31.1
177.04349	2.6
189.04269	2.6
190.01440	1.0
190.04955	1.0
204.03023	100.0
205.03799	14.9
217.03853	1.3
218.04605	1.4
219.05347	4.0
220.06123	5.3
233.03305	83.6
234.03648	2.3
248.05646	44.9
249.06058	2.0
257.10538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
60.93460	0.6
68.35941	0.7
75.51465	0.6
84.94733	0.5
92.14144	0.6
127.07629	3.6
133.10188	1.0
159.33339	0.8
167.06905	1.5
169.08495	1.6
177.48366	0.7
181.12334	16.3
183.13901	1.8
199.07329	0.9
201.08971	7.4
203.10559	17.0
205.12076	3.9
207.10048	0.9
217.08495	1.3
219.06494	0.8
219.10022	1.5
220.14961	0.7
221.11589	8.4
222.25615	0.6
223.13164	100.0
224.13535	2.6
233.08012	4.2
235.09535	5.2
237.11049	8.4
241.14241	1.6
249.11087	54.8
250.05099	1.5
250.11679	1.6
250.14435	12.9
265.10507	5.2
266.88287	0.7
267.12149	36.9
268.12540	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	249.1135
Annotation	Hyperolactone A
Peak:m/z	Relative Intensity
57.03453	2.6
57.85649	2.0
69.03443	6.0
69.13363	13.9
71.84671	2.1
73.02956	63.8
79.05531	2.3
81.03487	3.1
83.01376	3.5
84.02168	2.8
85.02950	12.1
93.03451	2.1
93.07166	2.3
95.05026	25.6
97.06613	3.5
98.22680	2.8
105.07127	3.6
107.05026	4.5
108.02210	7.9
109.06606	14.9
120.05881	2.2
122.03696	3.0
123.04537	76.0
130.99925	2.2
135.08226	1.9
137.06100	89.4
149.06038	2.1
161.09726	4.7
161.13416	14.2
163.07687	2.4
175.07619	4.4
177.01930	2.2
177.03995	2.4
177.12857	18.8
187.11246	2.6
203.10814	3.3
205.03377	8.2
205.12355	100.0
206.12628	3.4
234.03644	7.7
249.05896	3.0
249.08382	3.3
249.11346	69.1
249.14986	4.8
250.11949	3.4
250.14471	30.2
262.58661	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	249.1861
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.35903	0.6
59.01385	4.0
61.98821	2.2
64.45113	0.7
69.12149	2.3
69.12550	1.2
71.01357	0.6
85.00440	0.5
98.21876	0.9
127.04640	0.6
131.98988	0.6
144.71480	0.6
148.32320	0.5
163.86699	0.5
167.66884	0.6
190.85297	0.9
205.16040	1.6
205.19594	1.8
231.17622	1.2
249.15047	2.6
249.18614	100.0
250.11830	0.7
250.14493	14.1
250.18733	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	249.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52386	0.7
59.01387	4.6
61.98820	2.9
69.84509	1.2
69.84907	1.3
85.00430	0.8
97.06607	0.6
98.21999	1.1
116.58672	0.6
129.23300	0.8
129.37112	0.7
141.98476	0.7
168.74124	0.7
177.16574	0.8
190.85225	1.7
194.70723	0.7
205.15933	1.4
205.19556	1.8
230.37218	0.7
231.17538	1.4
249.15027	3.8
249.18607	100.0
250.14529	17.2
250.18752	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	249.1861
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01379	6.3
61.98825	2.1
69.28888	4.0
83.05058	0.8
87.26491	0.7
98.22702	1.2
109.65327	0.6
165.01910	0.7
177.16510	1.3
205.12334	1.7
205.15984	14.8
205.19655	1.3
218.11934	1.5
231.17628	1.2
234.11299	0.8
235.12129	0.8
249.00005	0.9
249.14958	20.3
249.18594	100.0
250.14500	51.6
250.18887	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.49050	1.2
59.01381	4.4
61.26617	1.5
61.98833	3.0
65.72765	1.3
71.41718	1.3
75.89828	1.3
79.25942	1.5
79.95717	1.4
83.05042	1.9
109.66507	1.2
144.14372	1.7
205.15898	1.5
205.19659	2.4
231.17473	2.0
233.38641	1.6
234.11514	1.4
248.97435	1.5
249.00751	1.8
249.15146	3.4
249.18636	100.0
250.14536	32.8
250.18877	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	250.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.38092	0.4
69.79506	0.8
69.79893	0.8
70.02973	0.5
71.01389	7.0
72.00898	0.6
79.72147	0.5
88.04048	85.3
89.04383	0.6
91.05536	6.0
98.66907	0.4
105.01945	0.8
114.01987	4.8
114.68379	0.4
115.00386	14.4
130.94391	0.9
132.03041	100.0
133.03395	1.3
134.06163	0.8
135.04520	4.1
153.48151	0.4
163.04042	1.0
206.08180	2.0
207.96796	0.5
250.04619	0.9
250.07228	16.8
250.14500	11.7
251.07614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	12.5
57.03452	7.3
58.00601	1.8
59.01385	96.8
61.66860	1.0
62.28319	1.0
69.03469	3.0
69.91355	3.0
71.01388	100.0
71.04995	2.6
72.99322	1.7
73.02953	38.8
75.00890	1.8
78.95903	2.7
80.96471	1.5
82.72369	1.2
83.01392	19.2
84.02174	1.3
85.02959	48.4
85.04070	1.6
87.00887	3.1
89.02449	24.6
89.02953	2.0
95.01414	9.0
96.96033	1.3
97.02982	2.5
98.21897	1.5
99.00899	10.9
101.02454	96.5
103.04002	1.5
113.02468	40.7
115.03995	9.0
119.03490	7.7
125.02452	2.9
128.23492	1.2
129.01955	1.8
135.04543	1.2
141.44450	1.2
143.03520	4.0
143.33415	1.3
145.20917	1.1
150.94806	1.5
152.91736	4.7
153.00377	1.6
159.03021	8.9
161.04570	37.3
162.96611	3.4
164.98170	2.2
179.05594	1.6
181.07193	3.1
186.60326	1.3
190.96095	10.4
190.97694	1.8
207.04991	1.7
213.14713	1.1
214.92763	1.8
221.09377	2.9
250.90182	1.6
251.08582	2.1
251.11348	24.8
251.14845	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	251.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	10.5
57.03441	6.8
59.01386	85.4
64.23868	1.3
69.03444	3.4
70.68194	1.7
70.68523	1.7
71.01389	100.0
72.99312	2.6
73.02567	2.8
73.02955	42.6
74.04452	1.4
75.00883	4.1
83.01398	16.8
85.02961	51.9
87.00863	5.2
87.04523	1.8
89.02456	17.3
89.06090	2.7
95.01389	9.0
97.02959	3.0
97.82389	1.4
99.00885	11.7
101.02455	89.4
103.78487	1.3
111.00902	1.5
113.02464	47.0
115.03999	4.3
119.03495	4.2
127.03542	1.3
143.03537	4.4
149.27127	1.4
150.94824	5.3
152.91779	2.5
159.02997	10.3
159.90479	1.6
160.97003	1.8
161.04576	45.1
162.96611	2.2
164.98178	2.3
188.96338	2.6
190.96141	8.1
190.98000	4.8
197.84395	1.6
225.08151	1.5
233.17323	1.5
251.11404	21.9
251.14136	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	251.1654
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
50.55495	2.7
55.17460	2.4
59.01392	4.2
61.98820	3.5
69.53120	11.0
71.01382	3.2
83.05033	100.0
85.02972	3.7
86.33598	2.7
98.21960	5.9
99.04525	58.2
101.02463	4.3
137.47070	3.6
158.21529	3.2
167.10751	11.3
203.84167	3.2
237.07497	4.3
251.14699	19.1
251.16969	40.2
269.52917	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	251.2018
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01406	2.0
91.01920	1.8
96.96008	1.1
111.94423	1.1
119.09254	1.0
153.01921	1.0
158.68909	1.1
172.02238	1.0
179.72902	1.0
183.04776	0.9
197.93636	1.2
251.14848	20.1
251.20180	100.0
252.20483	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	252.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.8
69.83008	0.3
70.44851	0.9
71.01386	8.2
87.00878	1.1
88.04051	3.4
91.01900	2.4
93.03466	18.3
100.33856	0.3
103.00384	0.7
114.01970	0.7
115.00385	14.0
118.03004	18.3
120.04612	0.3
120.14588	0.3
121.02984	4.0
130.99799	0.6
132.03040	3.5
135.04549	1.8
136.04054	100.0
137.02460	7.1
137.04378	2.3
137.27890	0.4
146.06123	1.9
147.04526	0.3
147.08202	0.9
162.03262	0.4
162.05618	0.6
163.03998	0.6
164.07176	8.2
164.08423	0.6
165.09174	1.0
175.03960	0.3
179.03470	0.4
190.05069	0.4
191.10732	1.5
208.06161	6.0
209.02809	2.4
209.11839	0.9
218.94702	0.4
234.04091	1.5
246.80409	0.3
252.05135	24.4
253.05241	0.5
253.10814	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	252.0516
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
54.32876	0.3
57.01992	0.3
58.82982	0.3
59.01382	1.0
63.36691	0.3
69.64584	1.2
71.01389	8.2
88.04040	2.6
91.01888	1.8
93.03466	17.7
94.03796	0.4
103.00368	0.5
115.00388	14.2
118.03001	16.8
119.03386	0.4
121.02984	1.7
123.76264	0.3
132.03040	3.3
136.04054	100.0
137.02473	7.4
137.04359	1.8
146.06129	2.0
162.05679	0.6
164.07179	6.7
165.07397	0.4
180.37706	0.4
190.05057	0.4
208.06184	6.1
234.04158	1.6
251.14679	0.4
252.05142	23.5
253.05461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0668
Annotation	N-Methylcrinasiadine
Peak:m/z	Relative Intensity
58.29245	0.2
59.01386	0.5
59.29810	0.2
69.54926	0.9
78.15535	0.2
79.40616	0.3
79.95746	29.5
80.95672	0.2
93.03464	0.3
98.21931	0.4
111.08143	0.3
117.03471	0.2
118.02998	1.3
126.12944	0.3
131.03766	0.6
140.95871	0.2
146.02510	0.9
154.91881	0.2
159.03316	1.2
164.92891	0.2
165.07118	0.9
167.05061	0.4
180.05836	0.5
181.06517	0.4
188.11156	2.6
190.06616	0.4
196.07684	0.6
205.05342	2.0
205.31264	0.3
206.06128	2.2
208.05298	2.8
208.07620	0.7
209.06094	11.4
210.06377	0.6
222.05681	0.3
223.06383	2.3
224.07208	2.7
232.04240	0.3
233.04832	4.1
234.05617	54.7
235.05962	2.7
251.05626	0.2
252.06709	100.0
253.07039	5.1
253.14656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0736
Annotation	Neopterin
Peak:m/z	Relative Intensity
51.79215	0.4
58.62565	0.4
59.01384	0.8
75.60526	0.6
79.95748	100.0
126.12878	0.8
142.57697	0.4
175.04195	0.4
188.11185	8.1
227.60736	0.5
234.05605	1.0
252.03035	1.7
252.07355	37.1
253.07513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1104
Annotation	Penciclovir
Peak:m/z	Relative Intensity
59.01380	0.9
70.94588	1.1
79.01768	12.0
82.04138	0.8
94.13797	0.6
96.02054	1.2
112.37621	0.7
121.02972	3.8
122.02363	91.9
123.03139	2.6
124.01549	1.0
127.08778	1.6
139.00429	0.6
152.08342	0.9
155.08362	0.6
165.02940	15.8
166.03711	1.7
166.09883	3.9
167.08247	0.6
173.87062	0.5
182.09366	13.3
194.93871	0.5
209.10458	25.0
252.11037	100.0
253.03358	0.6
253.11337	3.5
253.13948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47317	1.0
59.01385	100.0
60.01722	1.2
67.35146	1.0
69.31554	6.1
72.99314	1.3
87.00352	2.2
87.00889	43.4
92.27430	0.9
98.54249	1.1
103.00383	40.6
112.98849	1.3
121.02973	69.1
122.03305	2.2
130.99884	17.7
134.46677	1.1
147.96555	1.0
253.03552	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	253.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.27553	5.1
72.99313	1.4
73.53340	1.2
80.37931	1.2
84.51550	1.2
87.00888	44.8
103.00382	43.0
112.98817	2.0
121.02970	76.5
122.03255	1.5
127.27492	1.3
130.99876	21.9
147.71217	1.2
196.79402	1.2
253.03615	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	253.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85748	1.1
58.73769	1.2
59.01381	100.0
70.71622	1.4
72.99268	1.1
85.86560	1.0
87.00882	41.0
103.00377	41.5
112.98808	2.0
121.02962	69.5
121.26045	1.2
122.03288	1.3
130.99872	18.3
237.11276	1.1
253.03519	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.4
69.50276	0.7
69.50660	0.6
71.01387	0.7
72.99283	0.5
78.95905	0.9
87.00883	7.7
98.21865	0.7
101.02455	0.6
103.00396	2.0
112.98817	2.6
120.99676	2.7
121.02972	100.0
122.03329	1.9
130.99892	0.6
133.01453	0.7
136.98595	0.8
154.99634	0.9
209.03036	0.4
223.58318	0.4
231.39778	0.4
239.94589	0.3
253.03586	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	253.0927
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01868	2.6
55.39549	1.8
59.01384	100.0
61.24622	1.7
61.98819	1.5
69.11883	9.0
69.12289	2.7
71.01386	62.4
72.99299	2.1
73.02959	8.8
82.40914	1.8
83.01399	5.2
85.02978	10.3
87.00876	6.3
89.02448	52.7
95.01394	3.7
101.02451	57.6
113.02457	27.7
119.03510	13.1
121.02958	3.1
127.07635	2.0
131.03513	3.5
133.38026	1.6
143.03494	4.0
161.04567	22.1
170.88358	2.8
179.05611	6.6
194.92818	1.8
209.15419	2.8
253.05190	2.9
253.09306	60.5
253.14429	4.2
253.21790	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	253.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.9
59.01382	100.0
69.28700	3.4
69.29113	7.9
71.01387	52.8
72.99326	2.4
73.02955	8.5
83.01390	7.2
85.02962	13.1
87.00876	6.2
89.02451	55.5
91.04053	2.5
95.01397	3.0
97.02963	2.5
101.02454	55.3
103.00289	1.6
110.45243	1.4
113.02454	26.9
119.03503	16.1
121.02974	3.3
143.03528	6.4
152.49962	1.6
161.04584	21.6
179.05624	6.9
209.15392	1.8
236.43427	1.9
253.09297	63.2
253.21889	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	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01878	3.6
57.03440	1.3
59.01384	100.0
59.69001	1.1
71.01388	58.7
72.99309	1.8
73.02960	9.3
75.00855	1.2
83.01398	6.7
85.02953	11.5
86.05331	1.2
87.00882	7.9
87.20705	1.2
87.33759	1.1
89.02450	55.1
91.03979	1.6
95.01397	4.8
97.02983	2.0
101.02451	59.6
102.02853	1.1
113.01710	2.2
113.02462	27.0
119.03516	15.7
121.03001	1.5
125.02476	2.5
131.03514	1.9
143.03487	6.5
149.04633	1.2
150.59625	1.2
151.29279	1.1
161.04572	22.3
179.05640	8.9
253.09319	64.9
253.21887	1.4
254.09628	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	253.0931
Annotation	2-O-(alpha-D-Glucopyranosyl)glycerol
Peak:m/z	Relative Intensity
55.01891	2.6
59.01386	100.0
61.98837	3.3
71.01392	24.3
72.99299	2.3
73.02944	4.6
76.38583	1.7
82.31557	1.7
83.01394	3.6
83.05049	1.7
85.02967	5.3
87.00891	4.9
89.02451	24.3
91.04008	2.0
99.00902	4.9
101.02461	24.0
111.83572	1.6
112.64262	1.9
113.02477	11.0
114.72556	1.5
119.03503	7.2
121.02969	58.3
143.03494	1.5
146.31557	1.5
154.97534	12.3
161.04543	8.7
179.05574	2.6
253.03743	1.7
253.09338	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95053	2.6
54.61525	2.5
59.01361	7.9
61.98845	3.7
77.98774	3.2
94.55716	2.8
108.59385	2.7
121.02962	5.3
121.92764	3.1
136.70645	2.9
148.75624	3.3
170.88393	6.8
182.06056	3.4
183.03273	23.8
194.92801	3.4
196.04037	3.4
209.15491	7.4
210.05609	10.1
211.06456	18.2
216.10303	28.2
226.08748	100.0
227.09111	3.9
253.09816	33.3
253.14500	4.5
253.18077	5.4
254.10229	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	253.0985
Annotation	4,7-Dimethoxy-1-vinyl-beta-carboline
Peak:m/z	Relative Intensity
51.01498	0.4
59.01357	0.6
61.98856	0.4
65.99845	0.5
70.13628	0.9
70.13982	0.7
79.61292	0.4
84.62202	0.4
88.12132	0.4
91.01907	0.9
98.22591	0.6
129.02223	1.9
143.03749	1.5
170.88322	1.0
182.06126	1.1
194.92760	0.7
198.09224	5.5
199.09450	0.5
201.32957	0.4
201.64693	0.4
216.10307	73.2
217.10690	2.4
217.84967	0.9
226.08755	100.0
227.09065	3.0
242.08327	0.7
253.09833	52.6
254.10075	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	253.1446
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.69944	2.2
57.03448	4.2
59.01382	30.0
60.99286	2.7
69.03436	2.1
69.28825	11.7
71.01392	4.0
79.39866	2.2
81.03452	7.5
83.05037	9.4
85.06593	4.0
97.06615	4.8
98.03728	5.9
98.21872	4.2
99.04533	3.5
99.08169	18.9
101.06075	6.1
109.06582	5.2
111.08148	13.1
113.06106	2.2
113.09721	3.9
115.07629	2.6
121.02923	5.4
121.06615	4.6
123.08183	19.8
125.06081	5.5
127.07668	41.1
130.27452	1.9
135.08105	2.4
136.08958	2.1
137.06081	4.9
137.09711	7.7
140.08386	3.9
141.05589	8.3
141.09221	15.7
149.09750	2.3
151.07649	2.8
153.09157	4.4
155.07164	2.8
155.10799	10.7
156.96913	2.2
163.11206	4.6
173.13362	2.2
181.12410	2.2
181.16043	3.1
189.12778	3.2
191.14429	90.3
193.12349	3.6
196.07394	3.1
207.13890	4.2
209.15483	39.7
225.14951	2.8
235.05925	7.6
235.13371	24.8
253.06963	12.5
253.14455	100.0
253.21736	4.8
254.14737	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	253.1447
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
56.33759	5.5
59.01397	43.2
61.98834	6.9
70.51698	6.4
71.15543	8.3
79.95745	100.0
80.95702	8.1
81.95299	5.9
95.05013	6.3
97.06615	12.6
109.06571	8.0
111.08159	39.8
115.51830	7.0
121.02955	19.4
141.05594	48.0
155.07184	10.8
168.70251	6.5
170.88283	7.6
173.13377	13.5
175.99123	7.1
191.14450	11.7
192.00380	7.0
198.51660	8.7
209.15430	8.4
226.59138	6.6
235.13338	15.5
253.07465	28.1
253.14413	36.6
253.21782	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	253.1446
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
58.20918	1.0
59.01385	100.0
60.01740	1.1
61.86209	1.1
67.74880	1.1
69.42434	2.2
69.42822	4.2
81.03455	1.8
83.05033	3.6
87.98963	1.0
89.02425	1.6
104.79837	1.1
109.06559	1.2
121.02955	3.3
123.08185	1.8
131.03792	1.0
149.09724	3.2
164.10361	1.1
191.14349	1.4
193.12335	6.7
203.82913	1.0
209.15439	1.4
253.05179	2.0
253.14459	36.5
253.21814	2.3
254.14899	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	253.1811
Annotation	4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Peak:m/z	Relative Intensity
59.01379	5.3
61.98834	1.4
76.33787	1.2
76.35561	1.1
91.40232	1.5
108.04471	1.2
113.22115	1.0
121.02898	2.0
125.09736	2.0
128.02275	1.1
147.43942	1.1
152.91864	1.4
170.88350	4.3
170.91130	1.5
171.10292	39.0
175.85516	1.2
194.92775	2.9
195.13895	4.7
198.92494	1.2
205.05426	1.1
209.15471	2.6
217.85034	4.2
220.90028	1.1
235.17052	47.8
236.17352	2.4
253.18111	100.0
254.18387	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	254.0156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47426	1.6
52.48323	1.7
59.01385	10.1
61.98836	100.0
63.21455	1.7
66.71040	1.7
68.36455	1.5
69.81847	1.5
70.48210	3.6
71.01402	4.1
72.99312	3.6
78.95923	4.1
86.49632	1.4
87.44101	1.7
93.19134	1.6
117.00439	2.3
121.02975	13.1
122.03300	19.7
141.00432	3.0
143.01968	2.7
166.52054	1.5
170.37364	2.0
172.38213	1.9
212.93939	2.1
255.23387	5.7
262.90518	1.7
267.45145	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	255.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41614	0.8
51.23085	0.9
59.01395	1.0
67.72542	1.1
69.52461	2.9
69.52847	2.2
78.95915	7.9
94.02984	8.9
95.01407	1.4
96.04548	7.3
96.08961	0.9
96.95999	1.3
103.05360	0.9
107.05035	1.7
108.02180	7.7
109.02969	13.6
119.02864	0.9
120.02154	12.9
123.00974	1.0
123.04523	5.1
135.04544	1.8
136.01634	1.4
137.81256	1.0
138.03236	2.1
146.24841	1.0
148.01671	54.5
149.02295	1.8
149.30263	1.0
149.96887	0.9
152.91766	6.7
153.01982	3.1
153.05582	46.1
163.04018	27.1
163.05399	1.6
164.04649	1.1
165.01912	1.5
166.02708	7.4
167.03590	1.8
174.18243	0.9
181.05038	11.2
192.00684	3.9
194.92546	7.4
196.03775	3.0
207.02985	11.3
210.01720	3.7
211.04005	1.4
212.93840	1.5
225.04050	79.2
226.04385	2.5
233.69838	1.0
240.02780	2.0
254.96004	1.3
255.05086	64.6
255.23300	100.0
256.05438	1.7
256.08203	2.2
256.23645	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0667
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
63.02406	5.5
65.00330	8.3
67.01865	0.3
68.99815	0.7
69.38226	1.6
74.47063	0.3
79.70996	0.3
83.01387	6.3
93.34165	0.3
93.59991	0.4
107.01400	9.2
108.02177	1.1
109.02981	0.5
117.03492	0.4
122.00061	0.4
123.00867	0.8
125.02468	0.6
133.02924	0.4
136.01682	1.3
141.07126	1.1
145.05496	0.6
145.06618	7.9
151.00392	11.8
152.91698	0.5
157.06555	0.4
164.01213	1.9
169.01424	0.8
169.06604	2.7
171.04539	6.9
172.05330	2.1
183.08122	1.4
184.87698	0.4
185.06079	2.2
187.07640	2.1
193.06544	0.4
194.92914	0.9
197.90358	0.4
211.07664	3.5
213.05592	10.0
219.84560	6.9
227.07124	0.6
254.85732	0.9
255.06647	100.0
255.23286	7.5
256.06967	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	255.0891
Annotation	N-Acetoxy-IQ
Peak:m/z	Relative Intensity
59.01386	0.5
66.40082	0.3
71.02010	0.3
72.18597	0.3
81.03478	0.3
81.95998	0.3
135.04561	0.5
137.65184	0.3
163.04044	0.4
169.06454	0.5
184.08871	0.8
196.07588	1.2
197.05951	6.8
197.07770	0.6
211.02338	0.5
211.09947	0.6
212.08330	6.8
229.04990	0.4
237.11331	0.5
240.06541	15.5
241.06917	0.6
255.08899	100.0
255.23306	11.3
256.09222	4.9
272.05399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.114
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
54.17168	0.4
58.80868	0.5
65.03944	0.7
82.97257	0.5
92.05075	0.7
95.05018	1.8
96.47478	0.4
108.04552	0.7
120.04563	2.2
121.42931	0.5
122.06139	1.1
132.04625	1.1
134.06126	7.0
145.05338	1.8
159.05656	3.5
160.06407	0.9
182.06126	3.4
195.07022	0.4
196.07678	2.2
197.08492	1.3
203.77307	0.5
211.13315	0.6
212.10841	9.6
219.63293	0.5
225.06624	2.4
226.07471	5.5
239.08257	7.1
240.04549	0.5
240.09033	14.2
240.11450	1.0
255.11397	100.0
255.23286	17.0
256.11761	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	255.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
61.93485	1.8
69.03442	2.0
70.44704	1.7
71.05021	29.2
83.05041	2.0
95.87387	1.7
97.02966	7.6
115.04015	98.1
129.75972	1.8
139.07680	1.9
152.91757	4.3
157.08723	3.8
167.14432	2.3
193.12355	4.2
194.92885	3.4
197.08253	3.0
211.13403	100.0
212.13774	3.0
219.84686	9.0
237.11331	6.3
255.06651	3.7
255.12430	57.9
255.15929	6.5
255.23314	94.4
256.12646	4.0
256.23679	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	255.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93565	1.1
57.03428	1.5
58.00597	8.5
59.01382	4.9
69.03456	4.2
71.01363	1.9
72.99321	1.3
73.02954	19.7
73.29436	1.0
83.05046	1.3
84.84902	1.4
85.06623	2.7
97.06603	4.2
98.21899	2.8
108.38917	1.1
109.06597	3.7
111.08162	5.6
113.09796	1.2
116.08573	1.1
123.08180	11.1
125.09756	1.2
127.07663	49.7
128.07919	1.1
139.07603	1.9
141.09233	10.8
152.91777	2.8
167.07201	1.6
169.08708	1.9
175.14880	2.3
185.08188	1.5
193.15981	3.2
194.92838	2.6
211.13412	1.1
219.84589	6.0
237.14987	11.2
255.06712	3.3
255.16035	100.0
255.23299	44.7
256.16406	2.7
256.23724	2.3
262.07742	1.2
271.11301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2328
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
57.97611	0.8
61.98848	0.9
65.57144	0.9
69.77152	2.8
74.02496	1.3
78.81675	0.8
85.44158	1.0
120.09506	0.8
128.16519	0.9
130.70592	0.9
146.14740	1.0
219.84515	2.7
255.23311	100.0
256.23666	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	256.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99106	15.2
55.77911	14.4
59.01378	60.9
61.98827	86.5
63.37120	14.3
69.49091	48.5
69.49451	27.3
72.99310	21.3
79.62433	15.1
82.02982	20.4
87.92153	15.0
100.04057	34.0
101.02456	37.7
107.65532	16.4
112.40318	14.2
117.02732	13.8
117.65853	16.6
119.03513	70.1
127.05150	29.2
128.03630	26.3
157.34520	14.0
182.97041	29.8
212.03459	16.6
238.08418	16.6
256.05972	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	257.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.6
69.03452	2.4
69.74825	1.2
71.01369	0.7
71.05029	17.5
72.98425	0.5
93.87817	0.5
97.02960	4.7
115.04025	44.3
117.00446	2.3
127.02521	1.6
127.06183	1.3
129.04086	3.3
131.02013	4.1
141.00470	0.6
150.03206	0.8
153.04109	6.0
155.02011	12.2
157.03662	0.5
169.03578	6.9
171.05151	36.7
172.05325	1.8
175.42001	0.5
184.41577	0.5
197.03072	100.0
198.03250	4.8
256.23822	0.8
257.05014	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	257.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65823	0.6
67.27875	0.7
69.69635	2.4
89.66150	0.6
89.88816	0.6
91.23278	0.9
98.22612	1.0
107.90295	0.7
112.12331	0.6
130.97803	0.7
131.98016	0.6
132.61800	0.7
144.05809	1.1
145.02951	0.8
154.04359	0.6
157.06618	1.0
169.06639	3.0
171.04524	1.3
173.02422	2.1
181.06580	4.2
183.04515	0.9
185.06093	3.2
186.06892	10.3
195.04451	0.9
196.05388	1.2
197.06062	5.7
198.03238	3.5
199.04080	2.0
201.01981	10.5
213.05600	26.6
214.06268	4.7
219.84547	2.5
220.84512	0.9
221.84236	4.8
224.04796	7.4
225.05591	74.5
226.05881	2.7
227.03523	2.9
227.07147	2.0
241.05081	15.9
242.05873	100.0
243.06281	3.6
257.08221	91.0
258.06198	0.6
258.08447	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	257.082
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
56.56096	1.0
57.74677	0.9
59.78026	0.7
62.78909	0.8
65.03949	3.3
71.28271	0.7
71.79054	0.8
81.03502	1.4
81.95216	0.9
83.05007	1.7
93.03464	9.2
95.05049	1.6
106.04245	31.8
107.05036	51.4
108.02206	4.1
108.05373	1.1
109.02953	2.0
111.04520	1.0
121.02961	9.7
138.03217	1.9
151.04010	15.4
171.08145	1.7
188.41968	0.9
213.09216	71.3
214.09525	1.8
219.84682	1.2
221.84274	2.0
239.57207	0.9
256.23676	2.5
257.08194	100.0
258.08527	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	257.0821
Annotation	(+)-Dihydroeleutherinol
Peak:m/z	Relative Intensity
63.72935	1.6
72.99303	1.6
94.82589	1.6
136.73196	1.7
151.29111	1.6
169.06563	1.8
185.06049	2.4
186.06906	9.5
197.06137	4.4
198.03178	2.3
199.03877	2.2
201.01927	5.4
213.05597	18.7
214.06224	2.9
221.84212	3.3
224.04846	2.5
225.05562	29.6
226.05811	2.1
241.05069	12.9
242.05856	100.0
243.06236	5.0
256.23785	2.7
257.08228	60.1
257.17557	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	257.0822
Annotation	Emmotin D
Peak:m/z	Relative Intensity
52.25291	0.8
59.01373	0.9
65.00322	1.7
71.17916	1.6
73.60532	0.8
74.02479	1.8
76.29289	0.9
91.28939	0.8
102.05604	1.8
121.31466	0.8
128.03555	1.9
142.98799	0.8
145.02980	0.8
155.44179	0.9
157.06610	1.3
170.07372	3.1
171.04549	3.8
181.06618	4.2
183.04535	0.9
185.06093	9.5
186.06892	25.1
197.06108	6.2
198.06841	0.9
199.04042	11.3
206.87442	0.9
211.74260	0.9
212.17111	0.9
213.05620	8.2
214.06412	10.6
219.84575	10.5
220.84593	4.0
221.84282	22.4
225.05617	6.6
241.05170	1.4
242.05875	100.0
243.06236	4.8
256.23721	1.5
257.08252	31.7
257.14050	1.0
257.17661	1.4
258.08435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56222	0.7
59.01384	45.7
65.56082	0.8
69.03447	0.8
69.45832	2.6
71.01389	0.9
72.99315	6.6
83.37338	0.8
94.55750	0.8
98.88361	0.8
106.04282	1.7
109.10079	0.8
125.09730	3.6
135.08177	5.7
136.07680	1.8
151.11261	0.8
153.09225	100.0
154.09547	3.1
155.10753	1.4
169.08739	5.2
171.10333	4.7
174.88646	0.8
179.07127	1.2
194.78560	0.9
197.06502	1.3
197.08208	17.8
198.08600	0.8
215.09253	84.8
216.09633	1.4
257.04697	1.0
257.07883	1.6
257.10297	15.1
257.12936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1762
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
50.80018	1.3
58.16047	1.2
59.01386	100.0
60.88239	1.2
67.00122	1.1
83.05022	1.8
90.51432	1.1
106.46538	1.1
167.14427	3.2
197.15717	1.3
213.09250	1.5
213.14917	1.3
219.84547	6.4
220.84628	2.5
221.84270	15.7
239.12918	1.5
239.16705	2.6
242.91730	1.4
257.04633	2.6
257.08182	1.8
257.17630	49.9
258.17899	3.2
268.31955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1137
Annotation	Dihydrohaplamine
Peak:m/z	Relative Intensity
51.27959	0.4
59.58885	0.4
70.90045	0.7
77.28967	0.4
128.58803	0.5
130.03885	0.5
143.03767	1.4
144.04564	1.8
145.77957	0.4
148.04059	1.0
156.04593	4.6
162.05621	34.4
163.05942	0.9
170.02484	1.0
174.05605	13.6
175.05930	0.7
184.87697	0.8
188.03557	7.2
189.04332	2.4
190.05054	0.5
197.90445	0.4
200.03545	1.7
201.01973	0.6
202.05121	20.0
202.88811	0.5
203.05888	24.7
204.06209	0.7
214.05116	13.4
215.05893	27.0
216.06210	1.5
219.84569	6.9
219.86594	0.6
220.84521	0.7
221.84262	16.3
258.11362	100.0
259.09982	0.8
259.11884	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	258.1135
Annotation	Dihydrohaplamine
Peak:m/z	Relative Intensity
54.34340	0.2
58.59848	0.2
63.40067	0.2
81.56739	0.3
96.90308	0.3
117.03486	0.8
131.03763	0.3
142.02982	0.8
143.03748	2.8
144.04549	3.0
146.02501	0.4
148.04063	2.7
156.04599	1.3
158.06042	0.3
158.09848	0.3
159.03300	0.7
159.08150	0.3
161.04851	1.0
162.05611	0.7
170.02483	7.2
171.03046	0.4
172.04085	1.3
172.08945	0.8
174.01959	1.0
174.05621	2.5
183.03314	1.4
184.07629	0.7
184.87637	0.4
187.02748	1.8
188.03450	0.6
189.01904	0.5
189.04309	3.7
190.04961	0.3
198.09209	1.0
199.10030	16.5
200.10384	0.7
201.01944	0.4
202.05107	19.9
203.05807	2.0
211.06317	0.6
214.04996	2.5
215.05814	2.8
216.10281	1.1
219.84567	3.0
221.84254	6.2
226.05969	0.5
226.08754	2.7
228.06581	0.4
228.10208	1.4
235.04984	0.3
242.05563	0.6
242.08160	0.3
243.06244	2.5
243.08990	1.4
244.07430	1.4
256.09821	0.5
258.11346	100.0
259.05853	0.3
259.09598	0.8
259.11826	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	258.9919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33741	0.3
59.01388	0.8
69.41955	0.3
69.64368	0.6
69.64758	0.7
70.32516	0.3
71.01392	0.4
78.95923	0.4
79.95740	1.1
96.96017	7.4
96.96973	0.4
107.05032	0.8
130.08748	1.8
132.98184	0.4
133.02982	1.0
134.03696	1.8
135.04538	100.0
136.04916	2.5
143.11847	1.6
179.03511	94.0
180.03850	2.6
215.00255	1.5
228.06691	0.5
229.12006	2.2
258.99182	22.9
259.12018	0.7
259.99557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9919
Annotation	Caffeic acid 3'-sulfate
Peak:m/z	Relative Intensity
51.33741	0.3
59.01388	0.8
69.41955	0.3
69.64368	0.6
69.64758	0.7
70.32516	0.3
71.01392	0.4
78.95923	0.4
79.95740	1.1
96.96017	7.4
96.96973	0.4
107.05032	0.8
130.08748	1.8
132.98184	0.4
133.02982	1.0
134.03696	1.8
135.04538	100.0
136.04916	2.5
143.11847	1.6
179.03511	94.0
180.03850	2.6
215.00255	1.5
228.06691	0.5
229.12006	2.2
258.99182	22.9
259.12018	0.7
259.99557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0228
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
50.32224	0.1
52.58538	0.1
59.01380	0.4
71.01392	1.4
72.99313	0.9
73.02941	0.3
74.02489	0.3
78.95910	100.0
80.51717	0.1
82.02977	0.2
84.04567	0.1
85.02985	0.1
85.58228	0.1
86.74445	0.1
87.00874	0.5
87.05630	0.3
89.02462	0.4
90.97150	0.2
96.00948	0.3
96.96970	81.0
101.02437	0.5
109.04084	0.2
113.03616	0.3
114.01987	0.2
115.00397	0.4
126.98875	0.2
127.05170	0.2
128.03506	0.3
129.01979	0.2
131.04675	0.6
133.01472	0.7
138.98039	4.9
142.96637	0.5
145.06151	0.3
150.98079	0.2
152.95970	0.4
160.97672	0.2
168.99054	1.8
171.00673	0.7
178.96043	0.5
179.04675	0.2
183.92464	0.1
196.92656	0.3
197.05643	0.4
198.90543	1.5
199.00114	2.0
213.05106	0.5
214.93704	0.7
216.90616	2.0
218.97972	0.1
223.00153	0.4
240.91615	1.2
240.97610	0.4
241.01173	1.6
241.04768	0.3
242.07793	0.1
258.84738	0.2
258.92676	1.8
259.02237	23.5
260.02597	0.4
263.60208	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	259.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
65.99839	0.3
95.31700	0.2
140.05035	0.2
155.85693	0.2
164.05054	0.4
188.05116	0.2
192.04588	0.3
215.06181	0.6
216.04468	0.2
221.84329	0.3
230.04872	1.4
231.05702	0.8
258.04367	3.6
259.05124	100.0
260.05408	4.5
278.37195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0611
Annotation	2-Methoxy-6-acetyl-7-methyljuglone
Peak:m/z	Relative Intensity
57.03442	4.5
58.28922	0.8
59.01395	1.7
59.35663	0.7
60.39724	0.6
63.10785	0.6
68.58847	0.6
68.99828	1.1
69.03469	1.3
71.02720	0.9
71.90485	0.6
72.00905	1.2
73.23903	0.7
83.01401	8.9
86.02480	5.1
91.18585	0.8
92.05070	6.1
93.03464	5.3
95.01414	1.4
96.02165	3.1
107.04993	0.8
108.02200	4.7
109.02953	22.7
111.00859	2.6
116.05054	4.8
119.05036	6.0
121.02972	22.1
121.03861	1.1
122.03733	2.3
123.04547	1.4
124.01670	24.9
125.02457	45.7
129.07030	0.7
130.04253	1.2
131.04997	1.5
135.00879	0.8
135.04532	4.0
137.02454	50.5
142.06689	1.9
144.05853	0.9
145.02983	1.2
145.06587	3.8
146.03723	2.7
147.04546	17.4
148.05312	7.4
149.02475	9.5
149.06091	9.6
150.03235	25.0
151.04010	4.3
157.02965	1.4
158.03728	3.0
159.04507	2.0
161.02469	3.0
161.06123	4.7
163.03998	3.3
171.04494	2.7
171.09334	4.9
172.05307	13.6
173.02451	2.5
173.06088	23.0
174.03246	9.2
175.04012	69.2
176.04398	2.6
179.03476	1.2
185.06093	1.4
187.04050	1.8
187.07664	2.6
188.04739	1.2
189.05579	23.5
190.05939	1.1
191.07130	17.4
197.06171	3.5
199.03954	2.2
200.04742	1.4
201.01855	3.9
213.05566	2.3
215.07117	11.2
215.08493	4.3
216.04210	1.3
217.05049	16.3
217.10678	1.1
231.06573	1.7
241.05048	6.3
259.06100	100.0
259.11841	3.3
260.06491	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	259.0612
Annotation	2-Methoxy-6-acetyl-7-methyljuglone
Peak:m/z	Relative Intensity
57.03447	4.0
59.01373	0.6
60.95184	0.5
61.25384	0.5
67.01913	0.8
68.99820	0.6
69.03432	1.0
69.12754	3.3
72.26645	0.5
81.03451	1.1
83.01390	10.7
93.03464	5.2
95.01402	1.6
96.02168	3.4
97.02940	1.1
105.03474	0.6
107.05041	1.2
108.02177	5.5
109.02954	21.7
110.03319	0.6
111.00877	2.6
119.05017	5.3
121.02961	20.9
122.03758	1.3
123.04539	1.3
124.00733	1.0
124.01668	28.4
125.02453	42.6
126.02771	0.7
127.49552	0.5
130.04254	2.1
131.05040	1.4
133.03032	0.8
134.03720	1.6
135.04506	2.5
137.02451	51.1
138.02795	1.1
144.05826	0.7
145.02943	2.2
145.06566	3.7
146.03761	2.3
147.04526	17.9
148.05312	7.5
149.02457	7.2
149.06093	8.0
150.03236	25.5
151.04057	4.8
155.05034	0.8
157.02957	1.2
158.03729	3.0
159.04517	1.3
161.02438	3.1
161.06131	4.2
163.03989	2.9
171.04549	1.8
172.03819	0.8
172.05299	15.6
173.02454	2.0
173.06073	23.9
174.03226	8.5
175.04008	72.6
176.04500	2.1
177.01797	0.7
185.06161	0.9
187.04024	1.0
187.07614	3.3
188.04823	1.1
189.05579	26.6
190.05913	0.9
191.07156	16.5
197.06104	3.8
199.03992	1.9
200.04712	1.1
201.01944	4.5
213.05583	2.3
215.03520	1.5
215.07117	16.5
216.04265	1.8
217.05064	16.7
230.02110	0.8
231.06718	1.3
241.05052	6.2
242.05672	1.0
259.06100	100.0
260.06461	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	259.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40394	0.4
59.01365	0.7
67.01891	0.5
69.20532	2.9
79.05511	0.5
81.03477	0.8
83.05037	0.5
93.03474	1.0
95.05049	0.8
104.02666	0.6
105.03471	0.5
107.01359	0.5
109.02954	1.4
116.25336	0.4
118.04256	4.3
119.05044	4.3
123.04549	0.5
123.98452	0.4
128.76981	0.5
130.04276	0.8
132.02176	8.0
134.03754	1.2
137.02531	0.6
143.05049	0.7
143.08665	0.5
144.05882	0.5
145.02968	1.1
146.03709	0.8
147.04538	0.6
148.01726	0.5
153.00870	0.5
153.01933	2.7
158.03751	1.6
159.08150	2.8
160.05396	0.7
161.02434	0.5
162.03241	5.7
171.04533	1.0
171.08138	0.5
172.05385	1.2
174.03371	0.6
176.01233	0.9
185.06139	0.7
187.04019	0.7
187.07652	3.1
188.04797	1.2
189.01909	1.4
189.05576	8.2
190.00972	0.8
190.02728	16.4
199.03979	0.9
200.04823	1.9
201.01955	3.9
202.02748	0.9
203.07214	0.7
213.05577	1.0
215.03613	0.6
215.07082	3.3
216.04283	5.9
216.07454	0.5
222.01695	3.6
229.05080	1.1
230.05875	2.1
231.06644	21.6
232.06964	0.6
241.05055	2.5
243.02998	1.3
244.03755	2.4
259.06119	100.0
259.19135	1.0
260.06497	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	259.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03971	0.3
109.02960	2.3
110.98154	0.4
117.03444	0.6
119.05047	0.4
130.17715	0.4
134.70758	0.4
143.04997	0.4
145.02971	16.4
146.03644	0.6
146.83324	0.4
149.02423	1.0
159.04546	1.8
160.05298	3.0
163.04005	0.9
172.05350	3.3
173.02452	6.7
187.04044	2.4
188.04810	45.1
189.05157	1.7
191.03543	1.6
199.04062	1.6
200.04889	0.9
201.01952	56.6
202.02332	1.8
204.59752	0.4
215.03485	0.8
216.04297	20.3
217.04549	0.7
217.14529	0.9
227.03465	0.9
229.01408	1.4
231.06667	0.6
243.02925	0.8
244.03780	100.0
245.04063	4.0
259.06125	86.8
260.06378	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12571	0.6
68.09124	0.6
70.38045	0.6
73.79465	0.7
109.03008	2.6
118.04295	1.0
119.05080	0.6
119.11981	0.6
121.02963	0.7
145.01855	1.1
145.02965	23.2
146.03769	1.5
148.93446	0.7
149.02458	2.2
158.03864	0.8
159.04616	1.5
160.05342	2.2
161.02522	2.5
163.02798	5.6
163.04036	1.3
171.04456	0.7
172.05342	4.9
173.01190	4.6
173.02524	8.3
175.04068	0.9
176.01205	1.2
178.05101	1.6
187.04050	5.1
188.03546	3.5
188.04846	45.6
189.02000	2.7
189.05219	1.5
190.02728	5.3
191.03497	1.5
198.03227	0.8
199.04057	2.8
200.02213	1.5
200.04861	3.2
201.01952	71.9
202.02406	3.0
203.03548	2.0
215.04619	3.0
215.07144	5.4
216.04289	22.7
217.04724	0.7
217.14557	0.8
225.05653	2.9
226.00179	1.0
227.03491	2.2
227.59328	0.7
229.01265	0.7
229.05110	0.7
231.06650	2.3
241.02731	1.2
241.04941	1.4
243.03015	1.2
243.04076	0.9
243.06647	12.4
244.03780	96.0
245.04135	3.8
259.03497	5.6
259.06113	100.0
259.19147	1.7
260.06479	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	259.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33476	1.1
56.39579	1.0
59.01394	3.0
65.84318	1.2
70.82603	1.5
71.01388	4.2
71.05023	3.1
71.66373	1.0
72.00912	11.2
78.95902	2.0
85.02938	2.2
86.02486	61.5
92.05070	56.6
92.05653	2.9
96.96015	4.0
96.96983	1.0
97.02956	1.3
107.04974	2.0
113.02447	2.6
115.04013	8.4
116.05074	59.2
129.05792	2.8
130.06616	1.6
134.03767	1.8
135.04541	63.5
136.04906	1.5
139.04034	2.4
142.06628	24.5
142.93250	1.1
143.06075	1.9
144.08194	7.5
154.06627	5.0
156.06947	5.6
169.07716	10.6
171.06940	2.4
171.09291	57.9
179.03522	61.4
180.03891	2.6
215.08260	100.0
216.08649	2.7
217.10745	2.0
228.30089	1.2
258.99213	12.1
259.07281	19.0
259.11862	2.6
259.99463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	91.1
69.79453	3.8
69.79845	5.6
72.99303	14.4
83.16709	1.8
84.99319	4.9
87.00883	63.3
87.01392	4.3
90.99181	1.8
103.00388	36.2
105.01943	2.5
112.98820	61.7
117.51275	2.0
127.07667	100.0
130.99886	6.2
148.99719	4.6
149.00923	90.8
157.89847	1.9
166.57220	2.0
254.33713	2.0
259.08270	8.4
260.05698	2.9
266.02206	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	259.0975
Annotation	Tristin
Peak:m/z	Relative Intensity
51.25507	0.4
53.87126	0.3
63.16237	0.4
89.03993	2.1
101.02492	0.4
104.02702	0.4
112.08169	0.5
112.58222	0.4
117.03482	4.2
135.00848	0.4
135.44470	0.4
145.02934	1.0
148.01663	0.7
161.02472	3.8
163.04010	0.7
173.02454	2.7
176.01128	1.2
185.06143	0.6
187.03986	0.5
188.04816	0.5
189.01950	77.1
190.02472	2.3
199.07518	0.5
201.01949	95.9
202.02287	3.2
202.06404	0.5
203.03531	3.2
211.04013	1.9
212.04691	0.8
214.02808	0.7
215.03502	5.4
215.07065	0.4
216.04070	0.4
221.84209	2.0
222.84361	0.8
223.83904	0.9
225.05615	8.0
226.06117	0.8
227.07156	22.2
228.04271	5.4
228.07477	0.9
229.05066	13.0
243.06625	23.0
244.07405	100.0
245.07701	4.0
259.09756	89.1
260.10114	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	259.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98711	0.4
68.68122	0.4
69.18801	2.7
75.47301	0.5
89.03981	1.7
101.40102	0.5
112.08272	0.4
117.03478	4.5
145.02937	1.1
161.02460	2.9
163.04027	0.5
173.02490	3.0
176.01160	0.9
180.06708	1.2
187.04085	0.5
189.01945	74.1
190.02373	2.8
199.07574	0.5
201.01944	96.6
202.02307	2.6
203.03535	3.5
211.04131	1.3
212.04799	0.6
214.02742	0.8
215.03578	5.2
215.07147	1.5
225.05634	7.3
227.07144	21.4
228.04297	5.2
228.07520	0.8
229.05049	14.3
230.05411	0.9
243.06627	23.5
244.07410	100.0
245.07759	4.1
259.09756	97.8
260.10092	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	259.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98718	1.4
65.32339	1.3
72.01398	1.5
88.52914	1.2
104.02682	1.6
104.44057	1.5
145.02933	2.0
148.01605	2.3
153.09969	1.4
161.02431	2.3
171.08176	2.9
172.08937	4.9
186.45113	1.4
187.07686	2.5
188.08427	4.5
189.01913	7.3
199.07651	19.8
201.01991	9.4
201.05580	3.1
203.03584	8.8
215.07191	1.5
216.07903	2.6
227.07115	6.4
229.05054	6.7
243.06642	35.1
244.07419	100.0
245.07698	4.1
259.09753	94.3
260.10010	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	259.0976
Annotation	4-Methoxy-3,3',5-trihydroxybibenzyl
Peak:m/z	Relative Intensity
83.34220	0.5
90.13759	0.5
104.02699	1.0
105.03477	2.3
107.17204	0.6
113.22813	0.6
118.04276	4.3
123.08150	0.9
132.02185	10.0
134.03748	1.1
158.03725	1.3
162.03255	4.4
163.05962	0.9
173.02504	0.9
185.06062	1.1
187.11278	1.5
189.01961	2.2
190.02740	16.4
201.01959	10.8
202.06352	0.6
203.05710	0.8
204.06087	0.7
213.05569	0.7
215.10797	2.4
221.84265	4.0
222.01660	3.4
222.84270	1.2
223.84016	2.1
229.05040	7.7
230.05795	7.1
231.06552	0.7
243.06569	1.1
244.07500	2.8
259.09747	100.0
260.10037	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	259.0976
Annotation	7-Methoxy-6-[(3-methyl-2-butenyl)oxy]coumarin
Peak:m/z	Relative Intensity
56.81129	1.1
70.11891	1.7
70.12245	2.1
80.42426	1.3
89.03975	3.6
103.07088	1.2
117.03481	4.7
126.03661	1.2
161.02444	5.6
173.02441	3.9
189.01959	81.2
190.02344	2.4
190.70305	1.3
201.01958	99.3
202.02275	2.1
203.03473	5.3
211.04102	2.5
215.03514	5.4
225.05563	7.9
226.06258	1.6
227.07173	20.2
228.04367	5.5
229.05081	12.0
243.06642	21.7
244.07422	97.6
245.07768	3.3
259.09778	100.0
260.10226	2.1
281.36078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97797	0.5
104.02687	2.4
107.05067	0.6
110.45120	0.3
117.03466	0.6
120.66139	0.4
133.02963	1.1
145.02983	1.2
148.01645	2.0
155.08644	0.7
157.06598	0.4
161.02473	1.8
171.08194	1.0
172.08934	4.0
173.02466	0.6
183.04590	0.4
185.06140	0.8
187.07648	1.7
188.08440	3.2
189.01927	3.1
190.02637	0.6
198.06816	0.8
199.07666	10.4
200.08282	0.5
201.01971	4.9
201.05559	2.2
203.03551	5.4
215.07124	1.0
216.08047	2.8
225.05617	1.5
227.07143	5.0
229.05060	6.3
243.06630	27.9
244.07413	100.0
245.07770	4.0
259.05219	1.4
259.09760	29.4
260.10083	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	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.9
60.82914	0.7
64.39403	0.7
69.03452	0.8
75.60381	0.8
87.00905	1.0
111.00912	1.3
127.11274	1.2
133.02960	2.5
137.09721	8.2
142.68698	0.7
155.10789	100.0
156.11157	2.1
161.02432	8.1
164.04767	0.9
171.10287	21.4
172.10573	0.8
181.08719	1.8
197.11897	1.1
199.09773	32.5
200.10150	0.9
201.02054	1.0
215.03557	1.1
217.10820	87.1
218.11208	2.7
244.07448	1.1
259.06274	1.4
259.11923	13.3
259.14639	1.3
260.12143	0.9
262.50964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91661	0.8
57.03464	1.0
59.01386	21.2
69.46893	2.9
79.20741	0.7
81.86209	0.7
98.21937	1.2
108.11639	0.9
124.50655	0.7
127.11327	2.1
137.09738	7.9
155.10796	100.0
156.11127	3.1
161.02396	1.1
171.10284	26.0
181.08702	1.6
199.09778	32.3
217.10828	87.4
218.11192	1.4
259.11893	13.3
259.15463	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	260.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
69.52147	0.7
69.52543	1.3
89.69263	0.5
93.97339	0.4
131.05026	2.6
141.07109	1.6
156.08200	1.5
161.06076	1.4
184.07693	2.3
185.06168	1.1
201.07994	2.9
216.10306	100.0
217.10652	3.1
260.06769	0.7
260.09305	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	261.0077
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
51.25927	0.7
53.91269	0.8
56.83034	0.7
57.03457	2.0
59.01381	9.6
71.01379	0.9
72.99313	11.9
73.09365	0.6
74.02480	4.8
75.00887	5.0
79.95747	8.7
80.96493	1.6
81.03463	1.5
83.05035	1.6
85.02955	7.8
93.03463	25.4
94.03801	0.8
95.05048	2.8
96.04559	2.4
96.96013	2.2
97.02920	1.6
98.02479	1.3
107.05019	2.4
109.02962	1.2
111.00876	1.0
116.03529	2.2
119.05034	47.3
123.04594	1.0
126.04340	0.8
128.03523	1.3
129.01949	1.3
131.03777	1.5
132.04549	2.4
133.02922	0.8
134.03758	1.5
135.04535	34.4
137.02419	2.8
137.06094	2.3
147.04518	1.2
149.02441	1.1
149.06108	1.4
159.04514	1.6
161.02454	1.9
163.04018	37.4
165.01884	1.1
171.04532	1.0
172.05377	1.1
173.06149	1.3
175.04027	2.6
175.08792	0.8
175.24141	0.9
177.02063	1.2
177.05554	2.4
181.05074	90.6
182.05435	2.6
189.01967	0.9
189.05592	2.5
191.03484	1.6
191.07074	0.9
199.00717	17.0
201.05363	0.8
203.03555	2.3
204.04309	2.4
215.00247	8.5
217.01517	1.2
217.05115	3.2
218.05872	0.9
219.06577	8.0
233.04645	1.1
234.38350	0.8
243.02928	1.8
243.06628	1.0
261.00748	100.0
261.07529	15.1
261.13293	5.4
261.22220	2.2
262.01071	3.2
271.64822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0406
Annotation	2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
54.79772	3.6
57.03452	4.6
59.01377	23.5
65.22376	3.1
67.01900	8.1
69.62288	8.7
70.97475	3.6
71.01388	6.3
72.99295	4.7
75.00861	4.2
81.03461	5.3
85.02959	12.5
93.03464	36.9
95.01376	8.3
96.04557	6.1
103.92059	6.2
105.86909	3.2
107.05054	6.3
109.02952	17.8
111.00891	5.0
116.03605	3.7
119.05041	25.9
121.02970	17.6
126.04355	4.2
130.04294	8.3
131.05009	5.0
132.04529	4.2
135.04526	8.9
143.05060	18.6
145.02913	6.6
145.06618	30.2
147.04532	18.2
151.03860	4.2
155.05080	5.2
158.03682	5.9
159.04488	8.9
160.05368	3.8
161.06093	15.4
163.04007	10.5
165.01953	21.4
171.04507	34.1
172.05202	5.4
173.02396	16.1
173.06093	54.8
174.03189	16.8
175.04002	18.8
181.05070	24.2
187.04060	27.4
188.04887	5.0
189.05595	43.3
191.03549	4.6
191.08244	7.7
193.01715	3.8
199.03998	28.6
202.02667	6.0
215.03496	10.3
217.05083	100.0
218.05518	3.6
233.04503	6.5
243.03024	25.9
261.00787	32.4
261.04062	78.6
261.08768	10.2
261.13184	9.6
261.22156	11.9
262.04745	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	261.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.9
71.41631	0.4
73.25555	0.4
74.02464	1.9
89.03977	2.7
92.32473	0.4
96.96029	2.4
97.06592	0.4
98.02458	0.6
103.05579	0.5
117.03462	0.9
118.04244	1.6
125.09737	3.8
130.04222	1.1
131.05034	0.8
132.02144	0.5
132.04495	0.4
133.02946	0.7
134.72610	0.4
145.02945	0.8
147.04472	0.5
154.56345	0.4
158.03691	0.6
160.01648	0.5
161.02460	12.4
162.03091	1.0
171.08206	0.6
173.02426	0.5
173.06024	0.4
173.85172	0.4
174.03207	3.5
175.04036	1.0
181.06609	1.8
187.08165	0.6
187.09723	3.2
189.01939	7.2
190.02734	5.8
190.05074	0.4
191.03427	1.3
199.04105	0.5
201.01982	2.5
201.05524	0.5
202.02736	7.3
203.03514	31.6
204.03876	1.1
215.07198	0.5
217.05002	0.8
225.05569	10.2
226.05852	0.6
228.04388	1.0
229.04941	0.5
243.06636	30.5
244.06870	1.6
245.04509	0.7
246.05321	1.1
261.07690	100.0
262.08005	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	261.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30178	0.3
59.01369	0.5
64.60638	0.3
69.31776	0.7
69.32199	0.7
82.00597	0.3
89.03992	2.5
98.22690	0.3
103.05547	0.3
110.00110	0.5
118.04254	1.2
119.59946	0.2
130.04263	0.7
131.05066	1.0
133.03012	0.6
147.04483	0.4
148.45811	0.3
157.06613	0.3
160.01660	0.5
161.02460	13.7
162.03189	0.9
171.08163	0.8
172.05290	0.3
173.02480	0.8
173.06088	0.3
174.03249	3.4
175.04048	1.2
177.01985	0.5
181.06625	2.0
183.04608	0.3
189.01933	3.7
190.02730	5.9
191.03499	0.5
197.06097	0.7
201.01958	2.5
201.05493	0.4
202.02740	7.4
203.03514	27.3
204.03868	1.0
215.07144	0.7
220.43947	0.3
224.04634	0.3
225.05595	11.0
226.06032	0.5
227.03471	0.5
228.04309	0.5
229.05154	0.3
243.06631	31.2
244.07062	1.4
245.04614	0.8
246.05269	0.7
261.07693	100.0
262.08023	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	261.077
Annotation	Buntansin B
Peak:m/z	Relative Intensity
59.01369	1.3
69.24017	2.4
82.77629	0.4
85.48518	0.4
103.01497	0.4
108.02190	1.0
109.02959	0.6
117.03471	1.0
119.05021	0.7
131.05049	2.2
133.02957	1.1
145.02968	1.2
147.04501	0.6
159.04552	4.2
161.02481	3.7
175.04027	1.1
176.01172	0.6
177.01915	1.4
189.01932	3.2
190.02682	0.7
191.03529	3.9
202.06493	0.5
203.03516	100.0
204.03841	3.0
217.08813	0.8
217.12279	0.5
226.94362	0.4
245.04550	0.8
246.05342	31.9
247.05731	1.2
261.07693	50.5
261.15024	1.2
262.07993	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	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10112	0.8
58.02982	7.6
59.01387	5.9
60.86504	0.6
67.48536	0.5
69.06300	4.1
70.02979	9.5
72.04557	5.0
74.02480	100.0
75.02795	0.7
79.88842	0.6
84.04545	2.9
85.02946	0.6
85.94640	0.5
86.02498	7.7
90.54666	0.7
91.86232	0.6
92.05081	1.9
96.96027	1.0
98.02488	27.9
98.22696	1.4
103.00425	0.9
110.02513	1.0
112.98874	1.0
116.03549	49.0
128.03549	8.9
129.09261	1.9
130.06664	2.7
131.03778	8.0
132.04567	40.8
144.04575	12.1
146.06145	1.8
157.07697	4.9
158.06107	5.3
173.07266	2.3
175.08752	6.8
182.04625	1.4
199.08888	2.8
201.06718	11.2
202.02449	1.5
203.03563	2.3
215.08348	2.8
217.09950	2.0
219.07751	6.7
243.07867	1.9
261.04318	1.3
261.08902	27.4
261.22363	0.7
273.90253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30360	0.5
58.57119	0.5
59.01387	39.5
69.16321	3.2
72.99310	1.6
84.99323	2.0
87.00894	20.2
89.63179	0.5
97.06620	1.3
98.21870	0.9
103.00388	16.4
112.98825	32.3
125.09746	7.3
129.09235	100.0
130.09558	2.1
130.99883	3.6
149.00926	2.1
187.09749	7.2
201.66167	0.7
231.16795	0.6
261.07834	0.7
261.09930	4.7
261.13477	1.5
261.22263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1133
Annotation	Sudan Brown RR
Peak:m/z	Relative Intensity
59.01382	4.6
61.98817	0.9
69.88580	1.0
103.01527	1.7
107.05019	1.1
133.02974	19.3
134.03766	12.2
134.89459	1.0
135.04536	100.0
136.04892	2.6
137.02441	3.1
139.04031	1.0
148.05328	1.7
161.02455	29.2
162.02820	0.6
167.19131	0.7
178.02684	0.5
178.95219	0.6
179.03506	52.3
180.03870	1.3
197.90227	1.1
217.00522	0.6
261.11328	98.7
262.11710	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	261.1344
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
57.03459	4.0
59.01378	3.3
64.29386	0.8
69.71229	0.6
71.01389	0.8
71.08060	1.1
83.05021	0.9
83.57417	0.6
83.87982	0.7
84.82500	0.6
91.04038	0.9
95.05013	0.8
97.06595	10.2
109.01698	2.2
123.08168	6.7
125.09736	100.0
126.10094	2.6
132.02168	0.9
143.10820	1.9
146.06239	0.7
147.04535	2.1
158.03738	0.8
161.02507	0.9
164.07121	1.4
169.08720	4.2
173.06105	1.4
174.09245	1.3
187.09770	87.4
188.10100	1.5
189.02014	1.1
190.02695	2.1
203.03595	0.9
218.08264	1.8
219.11235	1.0
231.06554	1.3
243.06755	1.4
244.06242	0.8
260.03995	0.8
261.07703	13.2
261.13428	26.1
261.22134	1.1
262.07275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85001	1.1
55.01883	2.2
57.03443	5.6
59.01370	3.0
65.96535	1.4
69.03468	6.5
70.02967	2.8
70.53011	2.2
71.01385	5.3
72.99323	2.4
73.02946	1.4
75.00890	4.5
82.03010	1.6
85.02960	78.3
86.03293	1.5
87.04536	7.9
94.03024	1.7
96.04564	100.0
97.02959	13.5
97.04893	2.1
98.02472	1.4
99.00888	7.2
105.01937	8.9
110.89862	1.4
111.04521	2.5
112.04060	4.3
114.02016	2.4
114.05585	2.5
115.04043	5.6
117.88319	1.2
122.02471	2.3
126.05602	2.9
128.03535	4.9
128.95950	1.2
129.01958	18.0
135.03035	7.5
135.03868	1.2
140.03549	9.1
141.01953	5.4
142.01488	4.4
144.03038	2.5
158.04596	17.5
159.03023	1.6
172.02612	2.9
184.00212	3.2
185.99957	6.0
200.05695	2.7
201.98994	2.3
202.03656	2.4
202.98737	2.9
205.99707	1.5
219.04970	1.6
237.88977	1.2
262.05688	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	262.057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16566	1.2
57.03447	4.9
59.01381	1.7
69.03463	5.8
70.02965	2.5
70.18001	1.7
71.01386	3.2
72.09419	1.1
73.50069	1.1
75.00877	2.7
75.92575	1.2
85.02959	75.1
86.02483	2.0
87.04517	7.4
87.92536	1.9
93.08675	1.2
96.00918	1.6
96.04562	100.0
97.02953	11.4
97.25578	1.3
98.02493	1.8
99.00903	5.5
99.85852	1.2
103.92032	4.4
104.92829	2.4
105.01987	1.6
109.02980	1.4
111.00806	1.1
111.04559	2.3
112.04053	3.0
115.04028	3.5
126.05600	1.4
128.03564	7.9
129.01965	19.6
134.01628	1.4
140.03563	8.5
141.01947	4.0
142.01460	2.1
144.02988	2.2
145.96742	3.5
158.04610	21.3
159.02937	1.8
161.96191	1.3
172.02525	2.2
177.62010	1.3
189.71852	1.2
199.94151	2.3
200.05688	3.1
201.04022	1.6
201.99080	1.7
202.03542	2.8
202.98813	1.6
210.82877	1.1
219.05292	2.7
230.05251	1.3
261.94101	2.4
262.05728	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	262.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51743	0.9
59.01383	3.2
69.47628	4.3
71.01388	6.4
80.96523	1.5
91.05557	2.6
98.22623	1.9
99.00890	1.2
116.05090	1.8
119.05054	1.7
129.07108	3.6
131.05072	1.6
132.98607	1.4
144.04572	44.9
145.03003	1.5
145.04866	1.3
146.03731	5.7
147.04533	9.1
147.08131	1.3
156.05779	1.2
157.06606	100.0
158.07014	2.7
160.04063	22.6
162.05579	1.6
165.13788	1.1
172.04054	2.0
172.07719	1.6
173.06032	2.3
175.07635	7.6
176.69833	1.2
190.05066	5.6
200.07199	69.6
201.05589	1.3
201.07567	1.5
202.05319	1.3
218.08243	2.3
219.06630	2.4
244.06186	2.0
262.07251	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	262.0722
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
57.28900	0.7
59.01377	1.8
69.03426	0.9
71.43627	1.0
78.60825	0.8
95.05059	2.3
96.96003	2.4
106.04249	16.6
109.02998	1.4
116.05095	1.0
121.02966	21.5
132.04590	1.0
133.06836	1.0
134.03741	23.6
143.05037	3.0
145.02974	2.8
145.06584	3.6
147.04526	2.5
147.08192	2.4
157.06572	11.8
158.03729	2.2
158.05989	0.8
159.03305	1.0
159.04544	1.7
160.03990	1.8
160.05273	1.1
173.06133	5.8
174.05522	1.0
175.07651	56.8
176.07974	0.9
182.04631	1.7
200.07202	9.7
202.05006	0.9
202.42293	0.9
215.00633	0.8
217.05074	5.6
218.08240	12.5
219.04498	1.9
219.06639	37.1
220.06981	1.0
236.26704	0.8
262.07214	100.0
263.07556	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	263.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25122	4.5
59.01387	23.5
61.78969	5.4
68.07225	5.1
69.03461	17.7
71.01396	9.0
75.00891	8.5
80.96507	6.0
83.35272	5.3
93.03480	5.2
98.00089	6.2
98.02478	9.3
105.01943	95.2
113.02463	18.9
116.03601	6.1
118.96628	21.1
119.05043	18.0
121.02966	8.2
121.06610	87.9
131.07147	6.2
132.98224	18.3
133.02899	4.4
133.06601	19.3
146.03748	7.2
147.04530	19.6
147.06816	16.7
147.08121	7.4
148.04068	5.4
150.94815	6.6
156.05864	10.2
156.98131	9.7
157.06586	59.5
158.03731	6.9
159.04495	21.7
160.05325	25.3
160.97714	17.1
165.05574	27.2
166.95988	5.4
173.06084	24.4
174.99173	5.4
175.07645	92.9
176.08078	6.1
184.97632	10.3
201.05614	19.0
202.98782	100.0
219.06624	15.2
220.99805	10.3
233.61615	5.7
237.00809	6.1
263.00790	10.2
263.05701	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	263.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90857	1.5
59.01385	100.0
62.39141	1.5
72.44313	1.5
73.02990	1.8
101.02458	1.9
219.14206	1.6
232.24525	1.5
263.09451	2.3
263.12830	3.0
263.16611	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	263.0828
Annotation	Luotonin C
Peak:m/z	Relative Intensity
69.83156	1.5
75.02930	0.3
93.03471	3.5
98.22575	0.6
101.02399	0.6
102.03485	0.4
105.01861	0.4
106.39272	0.4
118.02996	0.5
131.03787	6.1
132.04568	38.0
133.04829	1.3
138.56950	0.3
139.05205	0.4
140.05016	0.4
147.05670	0.4
147.06744	0.5
156.04483	0.5
169.04044	2.5
170.04810	1.4
171.42941	0.4
190.06543	0.6
192.08189	2.2
193.06648	1.9
202.98763	0.7
206.06265	0.4
207.06923	4.4
208.07690	7.2
217.07661	0.5
218.06117	5.2
220.07697	0.8
234.05644	2.1
235.06386	1.5
236.07179	100.0
237.07573	4.2
245.07272	0.9
245.09738	1.0
263.08279	35.2
263.10757	2.9
264.08676	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1137
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
54.37078	1.1
55.01891	8.7
57.03451	6.9
58.00587	2.1
58.56108	1.1
59.01385	100.0
60.01724	1.2
67.67301	1.1
69.03460	2.5
69.17946	3.6
69.18347	4.7
71.01387	95.7
71.05025	1.3
72.99313	3.8
73.02953	34.9
75.00874	6.6
80.74378	1.2
80.95102	1.2
83.01392	14.0
84.47916	1.0
84.82322	1.1
85.02958	43.9
85.06590	1.3
87.00875	6.9
89.02447	31.9
95.01410	7.4
97.02952	2.1
98.21950	2.6
99.00872	9.0
101.02453	85.0
101.06071	1.5
105.01945	25.8
113.02464	39.9
113.03264	2.1
118.96664	6.9
119.03528	8.3
122.06006	1.3
124.99164	1.5
125.02437	1.9
129.01929	2.2
131.03563	2.0
131.07141	10.2
132.98260	6.3
134.60254	1.2
143.03508	3.2
147.04532	1.3
147.06764	5.0
156.98172	1.6
158.99854	2.0
159.03049	8.5
160.97714	4.7
161.04593	45.5
162.04868	1.8
175.04054	2.3
179.05632	3.0
184.97794	1.9
200.97293	1.6
202.98764	27.9
216.27319	1.2
220.99786	2.1
263.01175	2.9
263.05652	1.8
263.11386	20.4
264.12170	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.4
57.03444	5.8
58.00601	1.0
59.01385	73.3
69.03484	1.1
69.23843	0.7
69.93539	2.9
71.01388	100.0
72.99307	2.5
73.02954	35.7
75.00872	2.6
83.01394	13.4
84.02165	1.5
85.02959	50.8
86.00108	8.4
87.00890	21.5
87.04534	2.9
89.02451	18.7
91.05535	2.9
95.01394	8.5
97.02930	1.9
99.00900	12.5
99.92584	1.5
101.02451	64.3
101.06107	2.9
103.39696	0.9
105.01943	4.0
105.19312	0.9
105.72747	1.1
111.00890	1.6
113.02461	42.3
114.05646	1.2
115.08788	20.1
116.07213	1.0
118.96642	1.0
119.03538	5.3
121.02949	2.0
125.02429	2.1
129.01942	2.4
132.04517	1.0
143.03531	2.6
147.04543	4.8
147.06764	1.2
159.03044	6.8
161.04575	26.2
161.05870	2.0
164.07153	4.3
173.08202	10.9
202.98695	2.6
205.03474	1.1
219.11484	0.9
219.15082	2.2
262.94693	1.1
263.05713	1.0
263.11490	2.0
263.14001	25.5
264.14359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1292
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
55.01885	2.9
57.03436	1.8
59.01382	4.7
66.15372	1.6
69.79436	3.5
69.79773	3.6
71.01395	7.2
83.05014	3.9
85.02979	1.7
93.07117	1.5
95.05005	3.1
97.02931	10.5
98.21928	2.0
105.07094	5.5
107.05006	1.5
108.05851	8.5
109.02970	7.2
109.06573	3.9
111.04511	13.8
113.06122	9.1
119.05005	1.6
119.08658	5.4
121.06609	4.5
122.03745	15.3
123.08181	7.6
125.06097	30.1
135.08174	3.9
136.05316	17.5
137.06078	7.4
138.06891	25.0
139.07669	37.3
145.06639	2.3
148.05319	9.1
149.06076	4.9
150.49678	1.5
151.07668	75.9
152.04810	7.3
152.08450	35.9
153.09241	17.9
159.11810	6.3
161.09714	10.6
163.07663	15.3
164.08403	3.2
167.07149	5.0
171.08138	2.4
175.11345	2.0
185.09715	1.9
186.10464	3.5
188.08385	4.2
189.09222	9.6
201.12854	35.7
202.13179	1.8
203.10797	26.1
204.11574	66.8
219.13916	100.0
220.14340	2.4
263.10379	2.1
263.12955	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	263.1653
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
61.98832	3.8
63.62065	1.9
71.40526	2.3
91.48019	1.7
102.62022	1.7
105.01944	2.2
134.89456	3.3
146.93375	2.3
152.91837	1.8
157.04379	1.7
165.44823	1.7
202.98740	2.1
212.56474	2.1
219.17497	11.8
263.16534	100.0
264.16782	4.3
284.36438	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	263.1655
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
50.45829	0.5
52.54496	0.6
59.01385	26.3
61.98840	0.9
62.29939	0.5
69.18876	0.5
69.70268	2.0
80.02689	0.8
81.03452	0.7
85.02952	0.7
88.58858	0.5
89.72768	0.5
95.05058	0.6
97.06612	0.6
105.01938	0.8
107.05046	0.8
109.06591	0.6
119.05024	0.6
124.33767	0.5
135.08179	1.0
136.89212	0.7
144.76352	0.5
147.08168	1.0
148.08949	4.2
149.09789	1.1
150.10481	0.6
151.11282	1.5
163.11325	6.9
165.12859	39.4
166.13191	1.0
189.12920	2.6
191.14449	13.8
202.98793	0.6
208.88332	0.5
217.15948	0.8
219.14223	0.6
219.17572	14.3
227.14423	0.7
245.15466	5.4
263.16537	100.0
264.16812	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	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01378	3.1
64.88221	1.0
133.24416	0.8
139.68913	0.9
150.32527	1.0
151.56842	0.9
189.50398	1.1
208.46516	1.1
263.20181	100.0
264.20453	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	264.0665
Annotation	Anhydrolycorinone
Peak:m/z	Relative Intensity
53.06980	1.8
53.21437	1.8
54.64859	1.6
61.98827	7.3
91.35596	1.7
103.51469	1.5
131.03784	9.2
133.02983	11.5
136.54852	1.6
190.06575	2.0
190.38449	1.9
205.18690	1.6
208.07639	3.3
218.06110	51.5
219.06548	2.5
236.07170	100.0
237.07507	5.3
240.59572	1.7
257.70987	1.8
262.05042	3.0
264.03793	4.0
264.06662	77.8
264.16049	4.3
265.06949	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	264.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99595	1.5
59.01387	2.4
62.01283	1.2
70.02986	26.1
70.34174	1.6
70.34518	1.7
71.01379	5.4
79.60345	1.3
88.37917	1.1
91.05537	10.9
91.86836	1.4
96.96008	1.5
96.99319	5.9
114.01982	100.0
116.31396	1.1
117.01177	1.3
117.03489	7.8
125.71148	1.3
129.01968	2.9
129.95656	1.1
134.05212	2.3
134.06145	27.8
135.04558	1.6
140.36414	1.1
142.74402	1.2
144.08170	2.8
146.04597	4.3
146.06117	3.4
158.59821	1.2
160.07709	4.4
188.07234	5.1
219.06587	1.4
232.06175	10.2
234.77676	1.3
264.08685	1.6
264.16260	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	264.1031
Annotation	(-)-Annonaine
Peak:m/z	Relative Intensity
61.98829	0.8
70.80132	1.1
75.23914	0.7
87.96322	0.6
90.41032	0.7
93.03457	4.1
118.03004	5.1
119.05581	0.8
128.77562	0.6
128.89679	0.6
143.05074	0.8
158.06122	2.5
170.06088	3.2
178.05130	0.9
185.65453	0.7
211.54210	0.6
219.08275	1.0
244.07719	2.0
246.09250	49.0
247.09526	2.5
249.04359	3.2
262.08951	0.8
264.10315	100.0
265.10593	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	265.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16954	1.0
55.01890	9.5
57.03447	7.1
58.00587	1.3
58.99612	8.7
59.01387	100.0
61.98844	1.6
63.23157	1.0
69.03465	2.2
71.01390	90.3
71.05035	2.5
72.99312	2.8
73.02954	35.6
75.00875	3.0
79.95687	0.9
83.01398	18.3
85.02960	46.7
86.00093	2.0
86.30270	1.2
87.00890	3.4
89.02457	27.0
93.08804	1.1
95.01416	5.4
97.02949	2.4
99.00890	13.5
101.02457	88.2
102.02812	2.1
103.07659	1.9
107.03656	4.9
111.00900	2.1
113.02463	37.7
115.04011	1.7
117.05589	11.6
119.03542	10.2
121.03003	1.1
129.02000	1.9
134.04749	77.1
139.57622	1.1
143.03539	2.6
147.03020	1.8
159.03015	8.0
159.08182	2.1
161.04584	37.5
161.05952	1.5
177.09187	1.8
205.03302	1.4
265.09378	2.9
265.12930	18.6
266.08905	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	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	10.7
57.03461	7.4
58.00615	1.4
58.99601	6.7
59.01384	100.0
62.43114	1.0
71.01389	94.4
73.02953	33.4
75.00876	3.1
79.95779	1.3
80.96558	1.8
83.01394	14.3
85.02961	47.9
87.00882	4.5
89.02450	25.1
90.01177	1.2
95.01394	6.5
97.02975	1.7
99.00881	11.2
101.02449	82.0
102.02733	1.5
103.04018	1.5
103.07667	3.6
111.00899	1.6
113.02462	41.5
115.04010	1.9
117.05589	2.0
119.03519	9.8
120.47807	1.2
121.06622	1.6
125.02441	1.9
129.01950	1.6
134.04741	15.7
143.03523	2.8
147.30223	1.2
159.03018	8.9
159.08189	2.8
161.04576	42.6
161.05899	1.4
170.49884	1.1
177.09254	2.0
265.04004	1.1
265.07214	2.3
265.12936	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	265.1811
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
53.08887	0.7
57.03445	1.4
59.01382	2.8
68.33170	0.8
69.03471	0.9
69.15009	4.7
74.85590	0.7
83.05015	1.2
95.05021	1.3
96.96004	4.1
103.73141	0.7
111.08160	5.8
113.09750	0.9
124.09323	0.8
138.72127	0.7
141.09233	0.8
151.11293	2.3
153.09216	1.4
177.12834	1.9
221.19115	1.7
264.91550	0.8
265.18091	100.0
266.18378	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1812
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
52.24793	0.9
52.32710	0.9
59.01390	9.1
61.98829	1.6
62.02719	0.9
62.46053	1.0
69.03441	2.5
70.87056	1.5
71.51487	1.0
77.89641	0.8
80.40869	1.1
83.05057	1.7
92.83335	0.9
95.05041	1.0
96.96026	3.3
97.06650	1.2
99.02213	0.8
99.53608	0.8
109.51276	0.9
136.89211	1.4
139.62000	0.9
144.63623	0.9
146.86699	1.3
148.25096	0.9
149.09735	2.9
151.11308	3.1
155.07141	1.0
167.10800	46.6
177.09091	1.5
178.39706	0.9
195.10277	13.2
196.87627	0.8
198.77611	0.9
203.18102	3.8
228.10133	1.5
247.17049	13.7
265.18115	100.0
266.18546	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.181
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01378	17.7
59.26164	4.4
69.97366	13.6
70.29824	4.2
71.05006	12.2
89.62859	5.1
96.96010	19.1
109.46128	5.6
117.31402	5.1
154.37556	5.2
203.18097	9.4
207.13901	72.1
208.14322	7.7
247.17038	54.7
265.14810	12.6
265.18091	100.0
274.39838	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	265.2175
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
56.71201	0.4
59.01378	1.1
59.04546	0.5
59.98569	0.4
61.98819	0.4
71.27883	0.5
71.28260	0.7
79.95741	0.7
92.84853	0.4
96.96020	26.3
130.57530	0.5
137.12856	0.5
144.24149	0.5
245.65047	0.5
265.14862	17.7
265.21738	100.0
266.15158	0.7
266.22104	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	266.0673
Annotation	ICM 0201
Peak:m/z	Relative Intensity
59.01394	5.3
59.27373	0.8
65.03978	1.2
70.69981	1.1
82.05225	0.7
82.74088	0.7
84.04557	15.4
91.01905	2.3
93.03468	100.0
94.03830	2.0
98.02474	1.0
99.00850	0.8
102.05624	21.4
102.06269	1.8
118.03006	25.7
121.02949	1.0
121.06154	0.8
128.03560	38.5
129.03856	0.9
133.06601	1.0
136.04065	79.3
137.02460	47.8
137.04143	1.2
146.04611	18.2
148.28076	1.0
150.05670	1.3
160.07693	11.2
162.05621	8.0
172.50475	0.9
174.44449	0.8
176.07112	1.7
178.08749	34.3
179.09103	0.9
204.06683	18.2
222.07738	40.8
223.08179	1.7
248.05640	2.7
266.06723	92.4
267.07013	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	266.0897
Annotation	Adenosine
Peak:m/z	Relative Intensity
56.75856	0.1
57.23865	0.2
62.63562	0.1
66.21672	0.1
70.67702	0.3
80.68834	0.2
84.90183	0.2
91.05553	0.4
92.02557	1.8
95.64803	0.1
105.01913	0.2
107.03651	6.0
132.82550	0.2
134.04747	100.0
135.04305	0.3
135.05086	0.9
149.00949	0.2
154.00806	0.2
185.60139	0.1
266.08972	8.7
267.09262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0302
Annotation	6,7-dehydrobaicalein
Peak:m/z	Relative Intensity
51.86992	0.2
56.49427	0.2
57.03440	0.3
59.01373	0.4
61.98859	0.2
69.03461	0.3
69.56991	0.3
69.57381	0.5
71.05018	0.2
79.95753	0.3
81.03471	0.3
91.01914	0.9
96.96050	0.4
98.21952	0.4
98.93610	0.2
99.04527	0.8
105.01941	1.2
110.36873	0.2
111.08083	0.2
118.08505	0.2
135.00880	1.7
135.04503	0.2
139.05586	0.3
143.05078	0.2
153.01978	0.3
153.09248	0.4
161.02440	0.6
167.05026	1.7
167.10780	0.5
168.40955	0.2
171.04510	1.0
179.10864	0.9
182.03798	0.4
183.04552	1.7
185.11809	0.6
195.04529	2.4
199.04057	1.7
210.03249	0.7
211.04016	6.9
212.04424	0.3
222.03299	0.6
223.04044	1.6
223.16992	0.3
238.02725	0.2
239.01160	0.4
239.03522	6.1
249.14960	0.4
265.01532	0.3
266.02237	17.1
267.02997	100.0
267.16003	4.4
268.03351	4.4
268.06183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20321	0.9
55.18735	1.1
59.01382	20.5
59.50628	1.1
69.77656	2.4
72.63718	1.0
72.99312	7.1
73.02946	1.8
83.25832	1.0
87.00885	24.6
91.05542	100.0
92.05888	2.2
103.00377	9.4
104.45044	1.0
105.01939	7.3
106.83121	1.0
112.21173	1.0
112.98828	12.3
130.99883	2.5
134.03737	1.5
135.04543	47.4
136.04951	1.1
149.00931	50.9
158.31277	1.0
161.02533	1.1
170.52808	1.0
267.05237	2.7
267.08691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62672	0.4
57.09502	0.3
59.01386	3.5
69.41115	1.5
72.99319	2.6
75.00876	4.6
87.00894	1.1
91.05544	4.9
96.64149	0.4
96.96048	0.6
103.00371	0.7
105.01946	100.0
106.02271	1.0
112.98775	0.6
133.02977	7.9
134.03735	0.7
135.04541	8.7
149.00945	3.0
161.02463	36.1
162.02780	0.6
173.65335	0.4
179.03519	2.3
231.11467	0.4
267.05313	1.3
285.54877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81905	0.3
55.97999	0.3
59.01383	2.2
69.13019	2.1
72.99309	2.2
75.00881	4.6
83.33487	0.3
91.05550	0.9
96.96024	0.5
105.01946	100.0
106.02280	1.1
132.02185	0.5
133.02975	8.1
134.03741	0.5
135.03499	0.6
135.04541	10.7
149.00941	0.4
158.87978	0.3
161.02466	35.6
162.02806	1.4
179.03531	3.1
194.05284	0.4
222.32181	0.4
228.98355	0.3
243.88138	0.3
267.05258	1.8
286.02206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85590	1.1
59.01385	21.0
66.85086	1.0
68.28256	0.8
70.70385	1.6
72.99319	5.4
84.99289	1.1
87.00883	17.2
91.05543	100.0
97.79819	1.0
103.00373	10.0
105.01950	4.9
110.69778	1.0
112.72350	0.8
112.98815	13.3
130.99860	1.9
134.03754	1.0
135.04538	45.4
149.00940	49.6
161.02458	2.3
184.32410	1.1
267.05090	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	267.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16894	1.4
59.01384	49.9
69.03466	2.4
70.71783	1.6
70.72121	2.3
70.87241	1.3
71.01385	20.4
72.99318	11.3
73.02969	2.5
75.00880	5.6
78.95905	5.5
85.02973	12.6
85.66895	1.3
87.00890	30.0
87.01393	2.4
89.02464	10.5
91.05544	100.0
92.05885	1.6
95.01407	3.5
95.19661	1.7
96.96023	3.7
96.96976	2.7
98.22543	1.8
99.00881	2.2
101.02448	6.7
103.00388	10.0
105.01939	10.0
112.98832	12.7
113.02482	12.8
113.03590	4.9
114.01982	3.2
114.82300	1.4
119.03518	2.8
122.33874	1.5
130.99858	2.1
131.03613	2.6
131.04613	14.1
135.04538	41.0
140.53551	1.7
149.00935	52.8
151.46046	1.3
161.02467	3.6
169.01894	1.5
179.07213	1.3
191.05615	5.2
206.95500	2.3
238.37798	1.3
267.04877	2.6
267.07269	34.8
268.07629	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	267.0667
Annotation	Isoformononetin
Peak:m/z	Relative Intensity
59.01395	1.2
70.06728	0.8
70.07072	1.2
71.01398	0.9
72.99284	0.7
85.02899	0.5
86.66628	0.6
91.05519	0.6
93.03468	1.3
96.96030	0.8
105.01951	7.0
108.02214	1.3
109.02958	16.1
117.03477	1.0
121.02983	1.7
131.05020	0.7
133.02963	1.4
134.03693	0.7
135.04558	1.2
141.07115	0.7
145.02950	2.4
146.03740	1.3
149.00925	0.6
155.08565	0.6
158.03743	2.1
159.04526	13.0
161.02434	3.8
165.07100	2.3
167.05026	1.2
168.05766	1.7
169.06609	3.9
171.04463	0.7
171.16116	0.6
180.05814	1.1
181.06577	2.0
182.03790	0.9
183.04520	3.4
183.08215	3.6
192.99635	0.7
193.05049	0.7
193.06598	10.9
194.07283	1.8
195.04500	2.3
195.08153	1.1
196.05309	23.9
197.06084	20.7
198.06424	1.0
204.05968	0.8
205.06569	0.7
206.07372	2.1
208.05264	1.8
209.06096	17.5
210.06816	3.8
211.07660	43.6
212.08017	2.4
213.05528	0.6
220.05319	1.9
221.06084	13.2
222.06837	11.7
223.04056	1.5
223.07658	7.1
224.04797	14.2
225.05576	11.8
232.05315	0.9
232.62402	0.5
237.05592	8.9
238.06346	12.5
239.07150	37.7
240.07550	1.8
248.04822	2.4
249.05617	8.4
250.06374	17.8
251.06705	0.8
265.05121	6.0
266.05838	9.2
267.06631	100.0
267.16006	2.7
268.03949	1.0
268.06891	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	267.0725
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
51.25218	1.3
55.01895	1.3
57.03459	3.1
59.01387	52.1
62.21149	1.1
63.44865	1.0
69.54850	1.7
71.01388	39.2
72.99320	3.3
73.02946	1.6
73.31735	1.1
75.00885	10.7
78.95921	2.0
85.02957	27.7
87.00889	24.1
88.04072	1.3
89.02452	20.6
95.01397	4.6
96.96005	2.7
98.21853	2.3
99.00883	4.9
101.02470	9.8
103.00394	2.6
105.01928	2.5
107.62251	1.1
112.80518	1.0
113.02464	38.1
114.02856	1.1
115.00398	2.7
115.61662	1.1
117.01958	2.3
119.03531	6.4
129.01973	1.2
130.38170	1.4
145.99048	1.0
150.94717	1.3
169.98637	2.5
175.02542	1.5
179.03847	1.3
191.05620	22.1
192.95755	2.0
206.95549	1.9
214.78683	1.4
249.06093	4.1
267.07236	100.0
268.07587	3.6
284.46036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0775
Annotation	2784-27-2
Peak:m/z	Relative Intensity
59.01389	4.0
59.79137	1.6
69.13527	4.0
69.13931	6.3
77.92752	1.6
91.05547	1.9
98.22630	3.5
108.87450	1.6
121.02999	1.6
184.07677	4.2
197.04802	12.0
198.05640	13.5
199.02725	2.0
209.04362	1.7
212.07158	6.5
223.06377	2.2
225.04318	34.8
238.05270	2.0
239.05849	5.4
240.06676	100.0
241.06960	4.9
267.07767	89.4
268.08124	4.5
285.33884	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	267.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
69.06791	1.7
87.00883	0.4
91.05543	0.5
96.96042	0.3
100.97167	0.2
105.01979	0.7
106.04284	0.5
109.02972	0.5
116.50000	0.2
119.05057	1.6
121.02970	0.4
132.02171	0.3
133.02979	0.7
134.03754	100.0
135.04050	2.1
136.01639	1.0
137.02434	0.7
147.04558	1.5
148.05305	0.9
149.06093	48.6
150.06453	1.5
152.96495	0.2
153.05594	1.0
161.02484	0.4
161.06099	0.2
178.06325	0.2
179.07141	0.4
192.04294	4.7
193.05081	0.8
208.07405	1.0
223.09845	0.3
267.08749	23.6
268.09122	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
69.95546	0.9
69.95871	1.2
72.99316	0.9
75.78365	0.7
87.00883	68.9
88.01208	0.8
91.05534	1.7
95.01412	1.0
96.96036	4.7
98.22594	1.1
105.01940	30.2
107.05063	0.8
119.05000	1.3
121.02947	2.1
126.55813	0.8
133.02962	3.2
134.03752	45.2
135.04579	6.4
137.02408	0.8
145.02954	1.6
146.03752	60.1
147.04343	1.4
149.00943	1.6
149.06096	22.5
151.07602	1.0
161.02464	11.1
161.06084	20.1
163.04001	1.6
164.04803	42.8
175.07713	1.3
178.02742	1.4
179.03648	2.2
179.07150	100.0
180.07509	2.5
193.05060	9.7
205.65688	0.6
252.06436	0.9
267.06219	1.2
267.08807	15.0
268.09088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1142
Annotation	N,N'-Diacetylbenzidine
Peak:m/z	Relative Intensity
53.58036	1.5
55.38734	1.5
59.01381	3.0
61.98828	3.1
63.37214	1.7
68.79763	1.8
69.14946	3.2
69.15344	9.2
72.60526	1.7
121.02952	5.4
157.88539	1.6
227.53549	1.6
252.08852	2.1
253.81078	1.6
267.11411	100.0
267.19333	2.9
268.11734	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	267.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98253	0.8
56.97252	0.8
57.03442	4.2
59.01392	1.4
59.98522	1.2
69.03463	7.8
73.02930	2.2
79.79236	0.9
79.87098	0.9
81.06608	0.8
81.07092	2.7
83.04995	0.9
87.04520	1.2
88.44953	0.9
95.05041	2.5
96.96030	1.0
98.03750	1.1
99.04545	2.2
113.06069	0.9
126.56007	0.9
131.85812	0.9
135.11845	4.5
137.09758	1.4
153.09209	11.3
159.17227	0.8
173.19080	1.1
179.10791	36.5
249.14975	3.5
267.16034	100.0
268.16446	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	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.5
59.01374	0.9
59.35134	0.4
59.98516	0.5
67.28488	0.4
67.74033	0.4
69.03467	5.5
71.05025	7.1
73.02944	1.7
78.64633	0.3
80.42952	0.4
81.03465	6.4
81.07097	2.3
83.05031	2.3
84.02165	1.0
85.02974	0.6
95.05046	0.9
96.96035	1.2
98.03733	1.3
98.21854	0.8
99.04527	23.4
99.48971	0.4
104.88203	0.3
105.01946	5.7
113.06126	1.2
119.08694	0.6
133.02916	0.6
133.10269	0.6
135.04535	0.5
135.08197	0.7
135.11835	3.2
137.09761	0.7
151.11301	1.2
153.09230	8.5
161.02438	2.3
161.09740	0.4
167.09312	0.5
167.10780	12.3
179.10797	25.6
187.14868	0.6
189.75337	0.4
195.02988	0.5
195.10320	0.9
205.16054	0.7
223.17024	0.5
231.13937	0.7
239.03418	0.7
249.14949	5.1
258.44321	0.4
259.58313	0.4
267.03018	2.5
267.16025	100.0
268.16422	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	267.1603
Annotation	Arteincultone
Peak:m/z	Relative Intensity
57.03452	23.5
59.01378	2.7
69.03465	36.4
71.05004	1.3
73.02951	3.4
81.07107	9.3
83.05028	18.4
93.07080	2.7
95.05048	2.5
111.08178	8.4
111.63959	1.2
113.06073	5.7
113.99603	3.9
119.08678	2.0
133.10234	5.1
135.11821	29.3
137.09760	9.7
155.07181	7.5
156.86687	1.2
161.09721	1.8
175.03966	1.2
179.10793	54.7
197.11848	11.6
267.06546	2.2
267.16034	100.0
268.03937	1.4
268.16409	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	267.1966
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
54.16851	1.0
59.01382	2.1
61.98856	1.2
70.35942	2.6
71.01401	1.0
92.92802	1.3
97.03084	0.9
121.02974	2.5
137.20628	1.0
139.96762	0.9
153.12840	0.9
169.12318	5.7
197.11841	40.6
209.04486	2.3
249.18608	3.2
267.19656	100.0
268.20062	5.7
268.55865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1966
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
59.01386	14.2
61.98845	1.5
71.01366	1.9
71.13226	2.2
80.71001	1.3
99.08170	2.4
113.09661	1.8
149.09724	4.7
152.75348	1.4
153.73517	1.6
167.10791	47.1
194.97458	1.3
249.18619	29.7
267.19662	100.0
268.20062	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	268.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97571	11.1
59.01352	1.2
60.97534	2.0
65.00324	1.2
67.08962	1.0
70.66220	1.5
71.05020	1.7
74.49194	0.9
76.97030	4.0
79.95741	100.0
80.96522	23.6
94.49017	1.0
108.96017	10.6
117.03486	1.9
126.12918	9.3
128.21129	1.0
140.93239	40.4
147.07541	1.0
167.94379	1.5
172.13464	10.9
178.98445	1.4
186.09579	1.8
195.98636	1.3
200.27246	0.9
208.00966	1.0
210.99765	3.2
225.01340	5.8
225.05510	1.4
236.09628	98.2
237.09816	2.7
240.04132	1.0
250.05856	2.2
268.03909	5.5
268.06815	80.1
268.16385	1.5
269.04529	17.1
269.07159	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	269.0458
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.98450	0.2
59.01385	1.1
63.02406	1.4
65.00334	3.8
67.37923	0.2
71.05001	0.2
75.59472	0.2
79.01900	0.2
83.01398	2.1
93.03474	0.6
96.19751	0.2
105.03458	1.0
107.01402	6.3
112.62987	0.2
117.03476	24.3
118.03824	0.6
121.02982	1.7
137.02460	0.2
149.02457	10.2
150.02777	0.3
151.00389	12.1
152.00793	0.2
155.07169	0.7
157.06613	0.2
159.04535	2.2
159.87869	0.2
161.02388	0.1
169.01416	0.3
169.06601	0.5
180.05804	0.8
181.06619	1.5
183.04506	1.6
185.02478	0.5
186.95634	0.3
196.05238	0.4
197.06047	0.8
201.05569	2.2
213.05527	0.3
224.04803	0.4
225.05583	4.2
225.14955	3.4
227.03516	1.7
241.05093	0.6
268.03458	0.2
269.04562	100.0
269.17429	1.1
269.21188	0.7
270.04904	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	269.0458
Annotation	Apigenin
Peak:m/z	Relative Intensity
56.59597	0.2
63.02406	5.2
65.00019	0.4
65.00333	3.5
65.37094	0.2
67.08817	0.2
71.41401	0.2
71.41847	0.3
79.01871	0.2
81.03466	0.2
83.01398	1.1
93.03453	0.8
105.03466	0.5
107.01411	4.4
115.08183	0.2
117.03480	12.9
118.03820	0.3
121.02972	0.7
127.81400	0.3
130.30765	0.3
132.50323	0.3
135.04523	1.0
149.02457	3.3
151.00381	4.0
155.05054	0.3
159.04541	4.0
160.05006	0.3
161.02435	1.4
169.06668	1.2
171.04543	0.7
180.05760	0.6
181.06609	1.1
182.03604	0.3
183.04521	1.4
195.04512	0.3
196.05339	0.3
197.06107	1.5
199.04086	0.3
201.05580	1.3
213.05655	0.3
224.04822	0.8
225.05632	2.8
227.03508	0.9
240.04063	0.2
241.05038	0.3
246.60194	0.2
267.14053	0.2
268.03809	0.4
269.04568	100.0
269.21182	1.1
269.24573	0.6
270.04922	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	269.0824
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.12023	0.2
59.01368	0.2
65.03975	0.3
68.99855	0.2
69.10780	0.9
69.11190	0.4
71.05025	0.2
79.05495	0.2
81.03465	1.1
91.01917	0.3
91.05553	0.8
92.02690	0.2
93.03459	1.8
95.01405	0.3
95.05048	0.4
98.21799	0.4
101.04001	0.2
103.05563	0.8
105.03471	0.5
108.02189	3.0
109.02965	100.0
110.03329	1.7
115.05537	1.0
117.03486	0.3
119.05052	4.2
121.02968	2.6
122.03748	0.4
123.04543	3.4
129.03487	4.9
130.04280	1.3
131.05051	2.7
133.02957	0.4
134.03732	0.4
135.04550	3.4
136.04922	0.2
143.05077	0.3
145.02972	1.4
146.03760	4.5
147.04546	38.3
148.04886	0.8
158.03746	4.5
159.04538	79.8
160.04881	2.5
161.06100	1.5
181.06644	0.2
185.06134	0.5
193.06639	0.2
195.08041	0.5
196.05362	0.2
197.06131	0.7
198.06827	0.6
199.07771	0.3
201.05714	0.2
204.99266	0.2
205.06871	0.2
206.07346	0.3
209.06117	0.3
211.07605	0.9
213.09258	0.7
222.06892	0.5
223.07651	1.1
225.05626	0.6
226.06332	0.3
227.07028	0.2
234.06902	0.2
237.05646	0.6
239.07123	0.8
240.07832	0.4
241.05013	0.5
241.08705	0.4
250.06407	0.5
251.07158	2.0
252.05313	0.2
252.07945	4.2
253.05098	0.4
254.05869	0.7
254.10696	0.2
262.05798	0.2
267.06653	1.4
268.07443	2.6
269.04858	1.7
269.08206	46.7
269.21228	0.6
270.08542	2.0
270.13452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28717	0.9
73.01806	0.8
107.01420	1.1
117.03485	3.0
151.00429	1.5
159.03317	1.2
160.04094	3.6
168.27667	0.8
171.06891	1.1
174.55150	0.8
186.09311	2.0
186.95580	1.0
187.02782	1.1
196.07690	2.7
197.04846	1.0
198.02029	4.6
198.05617	12.4
199.02756	52.9
199.06430	3.9
200.03210	1.6
210.05656	1.3
212.03552	3.8
212.07196	3.4
213.07971	2.2
214.08711	9.2
224.07126	2.7
225.07976	1.3
226.05119	6.2
227.05914	24.1
228.06161	1.1
241.07491	2.4
242.08247	100.0
243.08635	5.7
245.47258	0.9
269.04636	13.7
269.09317	20.5
269.21252	1.9
270.09662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1298
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.85229	1.0
59.01364	1.0
63.28592	1.1
65.04041	1.0
65.75706	1.0
70.51118	1.3
75.68707	1.0
85.48560	1.1
90.97169	1.2
92.92834	1.4
107.14727	1.2
118.56255	1.2
120.04555	2.1
121.02962	1.3
124.99104	1.0
132.98189	1.5
152.01178	4.5
161.02367	1.2
167.14452	1.8
186.95668	2.6
198.12889	1.2
211.08784	5.1
223.04173	1.4
225.10350	6.6
239.08266	4.1
241.13521	2.5
242.43520	1.2
253.09729	4.1
254.10609	16.5
265.95874	1.2
269.04718	12.1
269.08197	4.8
269.12964	100.0
269.21204	5.7
269.24692	1.6
270.13376	5.8
277.89136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2125
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01373	1.1
70.02711	0.8
70.03047	0.8
77.28281	0.4
83.05041	0.6
94.92554	0.5
97.67141	0.5
98.22561	0.7
107.01395	0.6
113.09713	1.1
117.03488	1.3
117.21732	0.5
121.02974	0.5
137.09718	1.0
149.02480	0.7
151.00380	0.5
152.01180	0.9
155.10794	44.0
156.11108	1.4
169.12337	1.0
186.95685	1.3
251.20160	9.0
269.04623	8.2
269.21237	100.0
270.05035	0.5
270.21591	4.5
271.15134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2124
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
50.04448	0.3
61.88420	0.3
62.93452	0.4
69.03471	0.4
69.04209	2.3
73.36591	0.4
97.06609	1.8
98.21857	0.6
99.08168	6.1
113.09718	0.4
117.03454	0.6
125.06078	1.4
143.07153	12.0
146.35724	0.4
153.12900	1.2
169.49648	0.4
177.85388	0.4
223.20744	1.3
225.22234	0.6
251.20175	10.9
252.20560	0.9
267.19699	1.0
269.04578	3.2
269.21237	100.0
270.21600	4.0
281.83932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2125
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
51.50662	1.1
52.60493	1.1
57.03447	1.8
59.01387	1.8
71.18544	1.4
76.19124	1.2
77.14625	1.0
83.91429	1.2
94.92497	1.9
95.05018	1.4
97.06602	11.6
113.09737	3.2
121.02995	1.8
152.01135	3.3
186.95610	2.8
209.04610	1.5
225.22305	5.8
251.20175	4.3
266.61444	1.2
269.04541	10.7
269.08484	1.9
269.21237	100.0
270.21594	2.6
287.15250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0773
Annotation	Clausine K
Peak:m/z	Relative Intensity
59.45046	0.7
68.71477	0.6
68.92369	0.6
82.00616	3.1
92.02684	52.5
92.56074	0.6
93.03474	7.5
95.01389	17.9
98.21901	1.9
106.00677	0.9
106.03027	0.7
107.01418	0.7
108.02179	19.1
108.04577	2.7
117.03471	0.7
118.03804	0.8
119.05033	7.7
120.41142	0.7
123.00878	1.7
132.04562	9.7
136.01672	100.0
136.16371	0.7
137.02547	5.0
143.83167	0.7
150.05620	8.6
173.06079	1.8
180.05820	1.4
181.06606	7.0
199.07655	11.7
200.07190	1.5
200.49063	0.7
213.98105	0.7
225.05521	1.0
225.47888	0.6
226.08733	22.3
226.10902	1.4
227.09079	1.5
230.09906	0.7
243.06760	1.0
256.07285	0.9
263.67255	0.9
270.04880	8.6
270.07767	21.4
270.21701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0826
Annotation	Arbutin
Peak:m/z	Relative Intensity
50.86150	0.2
54.86807	0.2
55.01897	0.3
59.01382	1.7
68.68466	0.3
69.33106	1.2
71.01392	8.9
73.02958	2.4
74.47772	0.2
74.59142	0.2
81.03473	0.4
82.65591	0.2
83.01401	1.1
85.02964	3.9
87.00895	0.6
89.02464	0.6
92.82835	0.2
93.03469	0.5
95.01410	1.0
97.02965	0.7
99.00892	1.3
101.02457	4.9
107.05061	0.5
108.02190	100.0
109.03000	13.6
110.03318	0.3
111.00922	0.3
113.02459	4.2
121.02993	1.1
123.00892	0.4
123.04530	2.1
124.01691	0.7
133.02977	1.3
134.03743	0.6
135.04559	0.5
139.00398	0.3
143.03564	0.4
151.04031	4.5
159.03070	1.3
161.04573	5.1
163.04018	1.6
173.06099	0.2
174.01653	0.2
241.05121	0.4
243.06781	1.1
245.81732	0.3
256.07574	0.4
271.05917	1.5
271.07986	0.4
271.22678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0826
Annotation	Arbutin
Peak:m/z	Relative Intensity
54.92780	0.2
55.01863	0.5
59.01389	2.0
63.93746	0.2
69.03463	0.5
69.26186	0.3
69.88559	0.7
71.01392	8.0
72.99305	0.5
73.02950	2.1
81.03463	0.2
83.01392	0.8
85.02959	3.4
87.00847	0.3
89.02451	0.5
94.42757	0.2
95.01398	0.7
97.02960	0.3
98.21813	0.2
99.00883	1.0
101.02454	4.9
107.05051	0.4
108.02186	100.0
109.03004	12.8
112.61140	0.2
113.02467	3.7
115.04015	0.3
121.02969	1.1
123.00935	0.3
123.04543	2.5
130.08757	7.1
133.02982	0.9
135.04562	0.5
136.61070	0.2
143.03590	0.3
151.04025	4.7
155.02045	0.8
159.03009	0.8
161.04562	4.2
162.04849	0.2
163.04031	1.7
172.97681	0.6
174.99272	0.3
185.01294	0.4
210.99245	0.6
211.01038	1.4
222.09509	0.3
225.37076	0.3
230.08847	0.5
243.06728	0.3
254.04744	0.3
271.08304	0.6
272.09937	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	271.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14577	0.7
58.00607	1.6
59.01386	100.0
69.08299	1.7
69.08706	3.4
72.99311	2.6
74.02463	2.0
83.05024	0.8
87.00883	25.9
102.70664	0.9
103.00390	37.2
103.01081	1.9
107.78742	0.9
112.98854	1.7
115.04015	1.9
117.01207	0.8
124.01682	1.2
130.99881	14.6
139.07683	16.1
140.08017	1.1
144.83975	0.8
171.10231	0.8
213.05740	0.8
227.07237	2.7
241.04939	0.8
243.02951	1.3
243.06635	3.4
256.03732	2.0
271.02563	1.4
271.06128	7.1
271.15408	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	271.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55360	0.3
51.18752	0.4
51.37709	0.4
55.01883	0.7
57.03455	17.5
58.00597	1.8
59.01391	6.8
59.05031	0.6
59.33251	0.3
69.03464	7.9
69.45187	1.8
71.01389	3.5
73.02959	0.5
83.01399	1.3
83.90789	0.4
85.02959	9.8
87.04527	18.7
93.07110	0.3
95.01427	0.4
97.06594	0.6
97.31333	0.4
109.06633	0.4
111.08174	2.1
113.02461	15.5
113.06090	0.8
115.04032	0.6
127.07677	1.4
130.08820	0.4
131.03520	100.0
132.03850	1.4
133.29282	0.3
135.08260	0.5
139.00371	0.5
139.07669	1.9
141.05609	0.5
157.08719	19.1
158.09064	0.4
165.86403	0.4
174.99220	2.6
183.10266	0.7
186.63600	0.4
191.14307	0.4
199.18277	0.4
243.06650	0.8
271.05713	1.6
271.12210	2.7
271.15384	3.3
271.19263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
58.00597	7.4
59.01386	32.3
69.03466	1.5
69.23116	4.7
71.01389	2.7
73.02950	5.3
75.95549	0.8
83.01390	1.4
83.05032	2.9
84.02155	1.5
85.02979	2.0
87.00871	0.9
93.03472	1.5
95.05045	2.1
97.06606	20.4
99.08163	1.7
106.04250	0.9
109.06594	4.7
111.04540	3.5
111.08176	53.5
113.06106	17.7
114.51724	1.0
115.04037	1.0
119.05025	1.1
121.06593	4.1
125.06117	1.6
127.07640	6.3
135.08199	9.8
137.06108	4.1
139.07678	14.3
141.05592	15.3
143.07130	7.5
153.09241	3.5
155.07164	21.2
173.08362	1.1
173.13361	4.6
175.21974	0.9
184.22336	0.8
191.14439	3.5
197.05995	1.9
212.12968	0.8
212.15869	0.8
213.05522	1.3
225.05565	3.3
235.13463	2.4
241.05084	5.4
243.06668	1.6
253.04826	1.0
253.14479	5.5
256.07336	4.6
271.06204	3.7
271.15543	100.0
272.15848	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63901	0.9
50.82641	0.9
57.03445	1.7
58.00605	10.2
59.01389	25.1
62.06187	0.9
65.72176	0.9
67.76605	1.0
69.03460	3.3
69.43777	4.5
71.01393	1.8
72.99302	1.2
73.02953	4.5
76.49900	1.0
81.03490	1.3
83.05050	5.3
84.02171	1.6
93.03472	1.7
95.05032	2.3
97.06607	14.1
99.08176	1.2
104.13540	1.0
106.04260	1.3
109.06607	4.0
111.04517	1.6
111.08174	51.2
112.08526	1.0
113.06087	11.4
121.06616	5.7
125.06099	1.9
127.07697	6.3
135.08171	14.1
137.06123	5.4
139.07661	22.7
141.05588	10.9
143.07130	4.1
153.09314	1.7
155.07162	31.1
156.07477	1.0
167.10663	1.0
173.08199	1.8
173.13359	10.5
191.14442	3.7
229.10898	1.0
241.04921	1.9
243.06601	2.8
253.14487	7.7
262.92209	1.0
271.06201	8.2
271.15533	100.0
272.15891	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	271.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16774	0.7
57.03428	1.7
58.00596	5.9
59.01385	32.5
69.03458	3.5
71.01386	2.3
71.05029	0.9
72.99323	1.2
73.02950	3.6
80.71391	0.8
83.01387	1.5
83.05020	3.2
84.02199	1.4
87.04517	1.5
93.03481	1.5
93.07115	1.3
95.05009	1.6
97.06602	17.0
98.22709	1.7
99.04533	1.2
106.04256	0.8
106.24274	0.8
109.06628	4.9
111.04488	1.2
111.08174	66.4
112.08538	1.0
113.02527	0.9
113.06103	16.5
115.04014	2.9
121.06596	3.9
125.06056	0.9
127.07679	5.6
131.03514	5.3
132.98137	1.0
135.08160	7.5
137.06102	3.8
137.09741	1.6
139.07657	12.0
141.05589	19.0
143.07196	4.6
145.05043	1.0
155.07179	12.7
171.10236	1.3
173.08133	1.2
173.13353	8.6
174.97736	1.1
174.99249	18.4
191.14439	3.2
207.13902	1.1
209.15610	1.1
225.05286	0.9
235.13455	3.2
241.05038	1.6
243.06682	1.4
253.14479	7.6
256.07330	1.2
271.04938	9.8
271.15524	100.0
272.15891	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	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
54.08996	2.2
55.83577	2.3
57.36230	2.0
57.37878	2.1
59.01384	100.0
68.74677	2.3
70.69736	5.2
80.02581	2.3
101.47495	2.1
108.56155	2.0
116.92882	2.7
122.65591	2.8
139.00375	2.2
243.06590	3.6
255.45186	2.1
271.22818	59.2
293.65796	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	271.2282
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.02486	0.5
55.01866	0.4
56.76709	0.5
57.81406	0.5
59.01391	0.6
70.53535	1.1
83.05011	0.7
84.10205	0.5
95.89949	0.4
98.22015	0.7
100.82446	0.4
112.25958	0.5
155.15050	0.5
155.76331	0.6
159.27600	0.5
197.19141	1.4
221.19119	0.9
223.20717	3.5
225.22270	63.8
226.22652	2.9
243.06763	0.5
253.21819	1.7
260.30701	0.6
271.06058	0.8
271.22809	100.0
272.23138	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
65.66801	0.3
69.45240	1.6
73.76082	0.3
98.21919	0.5
119.35481	0.3
123.37849	0.4
162.76627	0.3
221.24004	0.3
225.22266	4.8
253.21638	1.4
269.21219	0.9
271.22809	100.0
272.23163	5.3
272.25922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
94.92492	1.2
128.21634	0.9
148.29532	0.9
180.18904	0.9
190.85237	1.1
197.90379	1.0
211.20746	1.5
243.06390	0.9
271.06079	2.1
271.22800	100.0
272.23199	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	271.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64118	0.3
53.93878	0.2
56.59697	0.2
63.24300	0.2
64.45786	0.2
69.55856	0.2
83.83867	0.3
84.92950	0.2
110.92384	0.2
124.59033	0.3
125.09716	0.4
127.11315	4.2
131.36427	0.2
137.62787	0.2
141.12843	0.5
151.14313	0.2
154.20343	0.2
162.84753	0.3
196.04338	0.2
225.22272	2.5
253.21751	2.2
264.60275	0.3
269.21225	1.6
271.06094	0.8
271.22803	100.0
272.23151	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.3
61.98817	0.3
83.05065	0.2
94.92537	0.2
111.08170	0.5
113.09731	3.3
127.11284	0.4
141.12866	2.7
155.14429	0.6
162.43982	0.2
169.30803	0.2
225.22231	3.0
232.12177	0.2
253.21748	1.7
269.21219	1.1
271.22797	100.0
272.23163	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	271.2281
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.84009	0.2
57.03445	0.3
62.42080	0.2
62.97501	0.2
69.85827	0.6
70.01738	0.2
85.90837	0.2
94.92487	0.2
95.05042	0.3
97.06589	1.0
98.22600	0.2
99.08169	5.5
99.08832	0.3
99.72950	0.2
113.09752	0.7
113.87140	0.2
153.12918	0.4
155.14439	5.1
169.15947	0.9
181.94972	0.2
225.22261	7.8
226.22697	0.4
235.20630	0.5
244.17050	0.5
253.21725	1.1
269.21255	1.7
271.22803	100.0
272.20139	0.4
272.23151	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	272.0931
Annotation	1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid
Peak:m/z	Relative Intensity
50.63180	0.5
57.47643	0.6
69.30190	2.3
69.30590	0.7
70.00600	0.9
75.21834	0.5
79.01888	0.5
80.48550	0.5
81.03457	1.5
82.00607	2.9
92.02685	69.4
93.02958	1.2
93.03125	0.8
93.03464	4.1
95.01391	17.5
96.04562	11.9
106.00600	1.0
108.02183	18.4
110.83666	0.5
111.04506	2.1
119.05069	0.6
121.02941	1.5
123.00898	2.4
136.01672	100.0
137.02319	2.4
152.07187	5.6
162.82707	0.5
183.08127	0.7
184.96341	0.5
201.09233	7.0
228.10303	25.2
229.10570	0.7
272.09299	42.6
273.09647	1.5
280.88879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	0.7
59.01382	13.2
70.00792	1.0
71.05023	2.1
73.35342	0.4
75.25660	0.3
77.07809	0.4
84.08204	0.5
86.62370	0.3
97.02979	0.7
108.02187	2.8
109.02461	2.1
113.02506	0.4
115.04025	4.0
117.00436	2.0
128.07188	1.1
130.08752	100.0
131.09148	1.8
168.05170	0.4
170.99806	1.6
172.01044	1.1
185.01384	1.2
187.02939	0.8
188.07924	0.4
210.06281	0.8
212.07967	0.6
213.00844	10.7
228.07277	2.7
230.08884	7.2
265.09338	0.4
272.09924	39.5
273.02881	0.9
273.10083	3.8
273.12527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.1
60.23248	0.4
69.03443	0.8
69.33498	1.7
71.01400	0.7
71.05031	14.6
77.78773	0.4
78.95904	0.6
83.05052	0.4
91.23148	0.4
97.02964	5.4
108.02228	0.6
110.02535	0.4
114.98898	0.5
115.04024	37.4
117.00423	0.5
125.00981	0.7
126.98888	0.8
129.04030	0.7
130.08730	2.0
131.09113	0.5
132.98218	0.9
141.00479	0.5
143.00290	1.5
145.01784	0.5
155.02023	0.4
157.01682	0.5
158.69310	0.4
168.99980	2.7
169.03459	0.3
170.99777	12.0
171.81340	0.3
172.01041	1.7
174.99246	1.0
185.01350	11.5
185.98561	1.9
186.05963	1.5
187.02899	7.6
193.07698	0.5
195.01537	1.6
213.00839	100.0
214.01176	2.3
231.01819	0.8
273.02533	6.4
273.05286	0.8
273.10132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67516	0.4
54.31428	0.4
57.68800	0.5
59.01374	4.2
60.48371	0.4
69.03447	1.0
69.57250	1.1
69.57645	0.7
71.05022	15.7
78.95898	0.7
97.02957	5.9
114.98868	0.5
115.04017	37.0
124.00732	0.6
126.98898	0.5
132.98192	0.8
133.15289	0.5
143.00261	1.1
145.06128	0.6
168.99907	0.5
170.99757	12.4
172.01022	0.6
174.99258	1.3
182.99706	0.8
185.01312	12.6
185.98514	2.7
186.01659	0.6
186.05959	10.4
187.02902	7.1
203.60562	0.4
213.00816	100.0
214.01134	2.5
231.01923	0.8
273.02887	8.0
274.07559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0387
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
59.01384	0.8
71.01417	0.5
71.43137	0.2
72.99316	0.9
78.95911	91.3
79.37568	0.3
85.02942	0.4
87.00879	0.8
96.96002	0.7
96.96967	4.7
98.90932	0.2
110.98543	65.7
117.00443	0.3
125.00957	2.4
125.02396	0.4
126.98883	2.6
128.03542	0.6
129.82042	0.2
136.94005	0.7
141.00392	0.3
141.97639	0.3
145.06206	0.3
154.90529	0.2
154.99881	0.2
167.02036	0.4
168.98494	0.5
168.99944	8.0
170.00053	0.3
183.01520	0.3
186.02582	0.3
195.01486	1.0
198.90556	0.2
211.01144	0.4
223.00098	0.4
240.91556	0.4
241.01208	19.3
242.01506	0.3
254.85815	0.3
255.00188	0.3
272.82758	1.3
273.03833	100.0
273.94836	0.3
274.04138	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	273.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.4
65.00300	1.5
69.17173	5.8
69.17576	2.2
71.01396	7.6
73.02952	7.7
82.97052	1.2
83.05043	3.8
85.06593	1.3
97.02973	2.8
98.22780	1.6
99.04546	1.9
101.06092	3.5
109.47930	1.3
115.04011	1.6
129.07133	2.9
130.04205	1.7
131.05002	3.1
134.03714	2.8
136.03992	1.8
136.07698	5.1
136.81204	1.2
139.05522	1.7
145.03001	1.4
145.05074	4.6
146.03720	4.4
151.00441	2.6
156.05818	4.3
157.06630	14.4
158.03757	22.3
159.04529	26.8
161.02484	8.6
161.06075	1.5
167.05025	8.9
170.03748	6.6
172.05336	1.8
173.06091	5.4
174.03210	3.7
182.03746	2.3
183.04527	21.6
184.05252	4.2
185.06091	98.2
186.03210	4.8
186.06461	2.3
187.03979	11.4
197.02397	2.3
197.20018	1.5
199.03993	2.4
200.01253	1.5
200.04810	5.1
201.05583	34.8
202.05791	1.4
211.04033	17.6
213.01941	1.6
214.02734	94.7
215.03064	3.6
216.04111	1.3
227.03529	8.1
228.04295	3.7
229.05077	100.0
230.05328	3.7
245.04556	3.0
255.11444	7.1
255.15974	6.0
273.04062	13.6
273.14053	2.2
273.17081	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0771
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
71.15679	3.2
80.37270	2.9
89.03919	3.2
94.16467	2.7
98.22611	3.3
112.04206	2.8
117.03466	9.6
138.89648	2.5
145.02966	3.3
152.24294	2.5
159.04474	2.8
161.02443	9.5
173.02509	4.4
185.06046	3.4
187.04147	4.4
189.01939	77.5
190.02661	8.6
199.04169	4.1
201.01935	95.9
201.05560	4.4
205.01549	3.0
213.05586	7.3
215.03491	25.3
222.01631	2.8
229.05063	37.3
230.05791	14.2
240.04300	10.6
241.05081	42.8
243.02942	20.1
257.04593	12.4
258.05334	61.3
259.05603	3.8
273.07684	100.0
274.08215	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	273.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60102	0.3
56.48018	0.3
57.03446	2.6
58.80336	0.3
59.01366	0.7
63.02393	0.4
65.00326	3.1
67.52564	0.4
68.99822	0.4
69.56416	1.2
81.03464	35.5
82.03796	0.3
83.01389	10.3
93.03464	6.7
94.03821	0.3
95.01399	0.5
95.05041	1.4
97.03072	0.4
99.04567	0.6
107.01404	2.7
119.05039	31.6
120.05390	0.9
121.02903	0.3
122.03714	0.4
123.04536	46.7
124.01584	0.3
124.04874	0.8
125.02460	15.5
126.02869	0.3
135.04515	1.2
147.04539	0.9
149.02446	1.0
151.00371	5.5
161.06123	0.4
163.07759	0.4
166.02715	1.0
167.03510	100.0
168.03828	2.8
169.06601	0.5
171.04549	0.6
179.03523	5.7
187.07701	1.5
189.05592	4.7
206.47047	0.3
211.07744	0.5
229.08656	1.7
255.06488	0.6
273.07709	70.0
274.08069	4.3
291.85339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63628	0.7
59.01392	4.1
69.21644	1.4
69.22051	3.2
71.01402	0.8
83.05054	0.8
83.36791	0.7
98.22600	1.7
100.49698	0.7
102.38457	0.8
117.03517	1.1
118.04250	3.7
136.07652	0.7
161.02408	1.9
162.03242	3.1
171.04572	0.8
173.02448	3.7
174.03157	1.2
176.01120	1.2
183.04593	1.2
185.06081	2.8
187.04004	1.4
188.04781	1.7
189.01959	28.4
190.02730	21.0
190.18578	0.8
198.03244	1.5
201.01952	81.7
201.05649	2.8
202.02330	3.2
202.06290	1.2
211.04008	2.0
212.10840	1.2
213.05516	7.6
214.02722	7.3
215.03511	12.7
222.01712	2.0
225.06639	1.4
226.07422	1.6
228.04382	1.7
229.05067	74.1
230.05817	29.4
230.11946	1.5
231.05975	1.1
239.03491	1.9
240.04187	1.0
240.08992	1.1
241.05054	9.5
243.03082	1.6
253.62273	0.7
255.11397	6.1
257.04547	1.3
258.05334	86.6
259.05652	3.8
273.07712	100.0
273.17023	4.1
274.08102	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	273.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69546	0.6
51.07259	0.5
64.33273	0.6
67.03716	0.5
69.13223	3.9
87.20729	0.6
89.03968	4.1
93.03447	0.7
98.21868	1.2
107.05048	13.8
117.03487	6.5
118.04292	3.2
121.02948	4.3
122.03751	13.4
127.34441	0.6
151.04045	1.7
154.02740	0.8
161.02458	7.1
162.03252	3.2
163.58717	0.5
171.04527	0.6
185.06111	2.3
187.04062	1.0
188.04544	0.9
189.01947	100.0
190.02715	20.6
191.83279	0.6
197.06029	1.3
199.04022	0.9
201.01949	4.9
203.03517	4.6
211.04062	1.0
212.04796	2.5
213.05580	5.9
215.03531	12.0
216.04031	0.6
217.01405	1.6
222.01659	3.6
226.02718	1.1
229.05096	11.5
229.08669	8.5
230.05818	6.2
239.03464	1.4
240.04289	17.1
241.05070	55.6
242.05382	2.5
243.02888	2.6
257.04526	4.8
258.05331	85.1
259.05682	4.7
273.07706	99.6
274.08081	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	273.0772
Annotation	Phloretin
Peak:m/z	Relative Intensity
57.03446	1.9
58.73339	0.5
59.01383	4.9
63.02395	0.5
65.00323	3.6
66.53036	0.4
69.61368	1.5
81.03464	25.9
83.01388	9.0
87.00880	2.2
93.03468	10.8
95.01420	0.8
95.05033	0.9
103.00379	1.9
107.01389	3.0
112.98806	3.1
119.05043	19.9
120.05296	0.4
123.04538	43.7
124.04786	0.9
125.02454	13.7
125.03324	0.9
131.01671	0.4
135.04529	1.7
137.02414	0.5
141.09227	10.5
143.05106	0.4
145.06573	0.6
148.20929	0.5
149.02499	1.5
151.00368	4.8
155.10764	1.2
166.02705	0.6
167.03511	100.0
168.03850	2.5
169.06577	0.8
171.04604	0.9
173.06104	0.5
179.03520	6.7
185.06029	0.6
187.07724	0.8
189.05606	4.0
199.09497	0.4
211.07661	1.1
224.68877	0.5
229.08665	1.3
255.06636	1.0
273.07700	57.3
273.14764	1.5
273.17331	1.0
274.07983	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	273.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12929	0.6
57.03463	1.1
59.01384	44.9
62.02382	0.6
69.12814	1.1
69.13212	3.4
72.99299	2.0
84.99315	1.8
87.00887	22.8
87.04501	1.4
103.00377	16.6
112.98828	31.1
112.99628	1.5
119.04988	0.6
130.99872	2.6
133.11623	0.7
141.09233	100.0
142.09566	2.3
149.00952	2.1
155.10831	1.4
245.04541	0.8
273.03986	0.8
273.09946	3.5
273.17117	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	273.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.9
59.01386	100.0
60.01719	1.4
68.54113	0.8
69.45270	1.7
69.45651	1.7
72.99323	2.4
82.11921	0.8
87.00889	21.3
87.01390	1.4
101.13830	0.8
103.00385	40.0
112.98868	1.6
127.47124	0.8
130.99878	16.6
141.09221	8.5
273.17062	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	273.1134
Annotation	Dendrobin A
Peak:m/z	Relative Intensity
55.89076	0.4
69.20915	2.2
71.18111	0.4
104.02699	1.6
107.05029	0.7
118.04247	0.9
145.02939	1.4
148.01659	1.8
155.08646	0.9
161.02444	1.5
162.03188	0.9
171.08197	3.2
173.06104	0.8
186.10521	3.4
187.07657	3.8
189.01915	4.3
190.02736	5.0
199.07639	5.4
201.01917	4.0
201.05615	1.8
202.09956	1.8
203.03462	1.3
213.09224	2.9
215.03539	0.9
215.07176	2.4
222.01756	1.5
223.96545	0.6
225.05551	0.5
229.05038	3.1
230.09543	1.2
241.08733	1.2
243.06625	100.0
244.06979	4.1
257.08234	4.8
258.08981	68.0
259.09338	3.2
273.07910	4.0
273.11328	71.0
274.11710	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	273.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
58.04102	1.2
59.01398	0.7
69.18325	2.0
71.01426	0.3
93.03468	0.3
110.07291	0.5
117.03478	3.4
118.04288	1.6
119.05042	100.0
120.04545	1.1
120.05390	2.6
135.12520	0.3
136.05180	1.6
142.06641	0.8
144.04608	1.2
145.02959	6.6
146.03748	0.6
151.23584	0.3
151.73862	0.3
160.84970	0.3
162.05624	33.4
163.05984	1.4
164.73367	0.3
169.07738	0.7
185.11011	0.5
193.07771	0.6
202.08723	0.6
213.00906	0.6
214.08832	1.2
229.09808	0.6
229.12175	0.4
231.11391	11.4
232.11690	0.6
246.53558	0.3
256.10889	0.6
273.13605	46.9
274.13837	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	273.1499
Annotation	Nimbidiol
Peak:m/z	Relative Intensity
51.02759	0.7
59.01360	0.8
61.98812	0.8
66.28557	0.7
69.83069	1.7
69.83459	1.8
90.31709	0.7
91.20850	0.7
111.34802	0.9
121.02949	1.0
122.03741	3.3
135.08183	1.9
138.41443	0.9
149.02470	3.2
150.03206	2.4
161.02463	15.5
161.06126	1.9
162.03250	0.8
165.01933	1.3
174.03238	4.5
175.03981	6.4
175.07651	8.2
176.04747	3.4
185.68526	0.8
187.07605	2.2
188.04779	2.5
189.05583	37.8
190.06142	1.4
190.85269	1.3
191.03687	1.3
193.07678	1.1
203.07162	8.6
204.08020	5.2
208.03804	2.6
244.55974	0.9
258.05353	0.8
273.14987	100.0
274.15350	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	273.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76688	1.1
55.76944	1.5
59.01386	100.0
63.39213	1.2
64.78094	1.2
66.29781	1.1
69.70572	1.2
69.70906	4.4
87.00865	1.4
103.00375	1.5
142.16005	1.2
189.01974	9.9
190.02664	5.9
193.07751	1.5
197.44583	1.3
201.01953	20.6
211.04024	1.5
213.05566	1.3
214.02750	2.1
215.03493	4.0
228.58015	1.2
229.05086	17.7
230.05858	8.9
241.05072	3.6
258.05344	21.4
273.07697	21.0
273.17081	3.6
273.20587	2.1
281.17453	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.09370	5.7
69.09795	3.8
111.31604	1.2
161.88484	1.5
222.21440	1.3
231.16011	4.2
273.17191	4.7
273.20392	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	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.2
59.01384	36.0
66.19643	1.5
71.01388	9.6
71.05017	3.0
73.02965	1.4
79.87693	1.4
83.05042	2.6
84.02164	2.4
85.02934	2.6
88.59732	1.6
90.43838	1.4
97.02947	4.1
97.06559	2.1
99.04523	4.1
99.08170	10.5
101.06070	2.8
111.08150	3.3
113.06100	2.9
113.09724	2.7
115.03197	3.0
115.04020	61.8
120.58554	1.2
127.11308	9.8
137.09697	7.0
139.11308	33.8
141.09238	1.7
144.03653	1.3
152.97981	1.3
155.10785	9.4
157.12332	5.7
169.12263	1.4
181.12326	2.1
183.13899	1.7
183.36089	1.5
193.15956	2.2
201.15009	1.9
237.15010	2.6
255.16063	5.6
268.64859	1.7
273.02014	3.5
273.09073	3.1
273.17114	100.0
274.17465	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	273.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13548	0.5
55.52045	0.5
55.54103	0.5
57.03455	5.3
58.00596	1.0
59.01385	23.0
63.29762	0.4
68.84233	0.4
69.03468	1.3
69.05081	3.7
71.01386	23.1
71.05021	6.7
72.99316	0.8
73.02953	19.0
73.28265	0.6
81.03470	1.5
83.05025	6.5
85.02948	1.2
85.06590	2.0
87.00866	0.7
97.02960	4.7
99.04541	3.8
101.06091	9.7
112.98825	1.1
115.04017	3.4
119.05032	1.5
122.06078	0.5
125.09734	1.1
127.04012	2.1
136.04024	1.2
136.07680	2.5
138.05605	0.8
141.09203	3.7
145.05086	12.3
151.00351	0.5
155.10817	1.1
158.03828	0.5
159.04582	0.7
162.05583	0.6
163.14952	1.6
179.13571	0.5
183.13937	1.4
185.06099	2.2
201.05539	1.0
211.04097	0.8
214.02715	1.9
229.05070	2.2
229.08725	1.0
237.15009	2.8
243.17877	0.5
245.04512	1.2
255.11440	2.3
255.16026	16.6
273.04129	1.2
273.17102	100.0
274.17511	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	275.029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
61.36794	0.4
66.33517	0.5
70.02993	3.2
70.49677	0.9
71.02493	1.0
72.00932	1.1
72.99316	2.7
75.00883	5.0
82.65134	0.5
89.02470	0.9
95.02518	2.0
105.01946	100.0
106.02289	1.0
111.01998	0.6
113.03583	11.0
114.01978	9.9
116.80468	0.4
131.04648	27.3
132.03058	1.7
224.10260	0.5
274.46997	0.5
275.02826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0564
Annotation	2,2',4,4',6-pentahydroxy-6'-methylbenzophenone
Peak:m/z	Relative Intensity
57.03450	11.7
59.01378	1.1
63.02403	0.6
65.00329	3.3
69.06321	1.9
70.26649	0.3
81.03432	0.5
81.49027	0.3
83.01388	3.8
83.04994	0.3
90.71007	0.3
93.03456	0.6
95.05025	0.3
98.22664	0.5
99.04520	1.0
100.41811	0.3
107.01392	3.0
109.02966	4.6
112.01683	0.4
113.02481	0.4
114.98370	0.3
117.21947	0.3
121.02943	0.8
122.03786	0.3
123.04534	3.2
124.01648	0.8
125.02455	100.0
126.02784	2.2
129.05481	0.4
131.03561	0.4
133.06540	0.4
137.02455	4.5
139.04056	0.6
142.36235	0.3
143.05011	0.4
143.07129	0.4
145.02841	0.3
146.03767	0.4
147.04553	1.1
149.02422	2.2
151.00385	5.9
157.00237	0.3
159.04524	1.0
160.05264	0.5
161.06073	0.8
163.04051	0.8
165.01935	1.5
166.02721	1.2
171.04547	0.8
173.02484	0.4
173.06134	0.3
174.03203	2.1
187.03972	0.6
188.04803	3.7
189.05574	4.5
190.05930	0.4
191.03510	2.4
193.49861	0.3
207.06633	0.7
213.05571	0.5
216.04250	1.1
221.20491	0.3
228.70105	0.3
229.05051	0.3
231.06618	0.8
241.25990	0.3
244.45570	0.3
257.04556	0.9
275.05609	24.9
276.05801	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	275.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03212	0.7
57.03448	8.6
58.55975	0.7
59.01380	5.3
65.00297	0.7
65.92263	0.6
69.03441	2.3
69.56571	2.4
71.01385	15.9
73.02926	0.9
77.98009	0.6
79.02684	0.6
81.03454	4.8
83.01400	4.1
83.05029	9.4
85.02956	6.6
87.04501	3.8
93.03465	1.2
95.01401	1.6
95.05009	1.2
97.02947	1.6
99.00870	1.2
99.04522	2.1
101.02472	0.7
107.01388	1.2
108.02229	0.9
109.02976	3.6
111.00882	4.9
111.04530	12.8
112.01675	100.0
113.02465	59.0
113.06065	0.9
114.02777	1.0
123.04523	2.2
125.02457	39.4
126.02795	0.8
127.04023	1.4
131.03511	13.7
137.02438	2.4
139.03987	1.0
143.07137	0.8
151.00392	2.2
155.03494	7.0
167.03563	0.8
173.04591	1.8
174.99200	1.0
187.04138	0.7
188.04826	1.6
189.05589	2.1
275.07813	82.0
276.08051	3.1
293.35754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0775
Annotation	Ranunculin
Peak:m/z	Relative Intensity
57.03452	11.7
58.00606	1.5
59.01386	10.8
68.99815	1.1
69.03467	9.7
69.18551	5.5
71.01389	59.2
73.02951	5.8
81.03457	4.7
83.01380	2.3
83.05038	8.9
85.02954	19.5
86.02515	2.0
87.00887	1.4
87.04530	8.8
89.02454	1.4
92.23482	1.2
93.03446	1.5
95.01385	2.6
95.05019	1.9
97.02959	4.8
99.00885	2.9
99.04547	1.5
101.02465	6.9
106.50396	1.0
109.02962	6.6
111.00903	5.3
111.04526	10.8
112.01678	77.3
113.02464	72.4
113.06103	2.1
115.04008	3.0
116.05045	2.6
116.92842	1.3
119.05024	1.6
123.04534	3.1
125.02441	4.7
127.04032	13.7
131.03520	60.2
143.03564	1.3
154.01450	1.4
155.03545	9.1
159.04556	1.9
173.04585	19.3
185.04507	1.4
187.07640	3.3
215.08295	2.5
275.07739	100.0
276.08023	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03463	5.4
58.00584	0.8
59.01382	5.4
65.13252	0.6
65.39756	0.6
69.03462	3.9
70.78027	1.0
71.01389	26.5
71.05048	1.1
72.01785	0.7
73.02949	1.8
81.03474	4.7
83.01404	1.9
83.05039	10.7
85.02966	8.7
87.00877	0.7
87.04520	4.6
93.03460	1.8
95.01414	0.7
95.05016	1.3
97.02950	1.7
97.06594	0.7
99.00893	1.3
99.04552	1.3
101.02460	2.1
109.02964	3.2
111.00891	5.4
111.04532	13.0
112.01678	100.0
113.02465	67.7
113.06116	0.7
114.02719	1.3
117.05590	1.5
123.04546	2.0
125.02448	3.9
127.04029	4.7
131.03517	24.4
137.02449	1.5
143.07187	1.1
155.03526	7.1
164.60374	0.7
167.03554	0.8
169.27483	0.6
173.04578	5.0
215.02356	1.7
248.18245	0.8
275.07751	91.7
276.08023	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	275.0776
Annotation	Ranunculin
Peak:m/z	Relative Intensity
55.01875	1.2
57.03456	17.3
58.00605	1.2
59.01385	21.3
61.98824	4.2
68.99830	1.3
69.03467	14.5
69.57117	4.0
71.01389	90.2
71.05031	6.5
72.99305	1.2
73.02961	7.8
78.95890	3.5
81.03455	2.7
83.01390	3.5
83.05018	5.3
83.94943	0.8
84.02182	1.0
85.02960	30.1
86.66477	0.8
87.00871	1.5
87.04517	15.2
89.02460	1.5
92.96014	1.2
93.03436	1.3
95.01384	2.6
95.05022	1.3
95.21370	0.9
97.02965	3.4
97.66872	1.0
99.00897	3.7
99.04544	6.4
101.02436	7.3
105.01929	1.3
108.02155	1.4
109.02969	10.4
111.00945	1.3
111.04532	7.0
112.01678	23.4
113.02462	47.4
113.06102	2.0
115.04005	5.0
116.92876	1.7
117.00424	1.4
117.05595	13.9
123.04527	3.3
125.02449	3.8
127.03152	1.6
127.04031	23.6
131.03522	100.0
132.98206	3.4
134.04735	2.2
141.05600	1.8
143.03491	1.7
144.98360	0.8
144.99974	0.9
145.05116	1.2
155.03502	7.9
160.97762	1.8
167.03534	1.0
170.99759	7.0
171.01190	1.2
173.01360	1.2
173.04572	26.4
174.04823	1.1
174.47348	1.0
174.99280	16.4
181.02853	1.0
185.01331	4.0
185.04561	3.6
186.99258	2.9
187.02902	2.0
189.00832	1.5
197.01433	1.0
201.01985	1.2
213.00829	22.7
215.02426	41.8
215.98137	1.5
228.97856	0.9
257.11417	1.1
259.01123	1.1
260.01794	1.2
275.04752	3.8
275.07730	57.8
276.10446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0775
Annotation	Ranunculin
Peak:m/z	Relative Intensity
55.01881	1.4
57.03454	15.2
58.00593	1.7
59.01115	1.2
59.01386	12.2
69.03464	11.5
69.08782	1.2
69.09183	4.6
71.01389	71.6
71.05025	0.8
73.02958	6.5
75.00888	0.9
75.77496	0.7
81.03486	4.7
83.01388	3.3
83.05034	9.3
85.02954	23.8
87.00887	0.9
87.04523	13.4
89.02450	1.4
89.16702	0.8
93.03483	1.2
95.01401	2.4
95.05029	1.8
97.02962	2.9
99.00889	3.4
99.04507	2.5
101.02451	5.4
109.02975	10.3
111.00887	3.4
111.04533	12.0
112.01678	81.4
113.02464	73.7
113.06094	2.4
115.04023	3.0
123.04532	3.9
125.02438	5.7
127.04021	17.6
131.03519	78.0
137.02434	1.1
141.05609	1.6
143.03506	1.9
152.81760	0.8
154.01453	0.9
155.03523	11.4
167.03456	1.2
173.04555	26.6
185.04536	1.5
204.13583	0.7
275.07758	100.0
276.08087	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	275.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	11.7
58.00606	1.5
59.01386	10.8
68.99815	1.1
69.03467	9.7
69.18551	5.5
71.01389	59.2
73.02951	5.8
81.03457	4.7
83.01380	2.3
83.05038	8.9
85.02954	19.5
86.02515	2.0
87.00887	1.4
87.04530	8.8
89.02454	1.4
92.23482	1.2
93.03446	1.5
95.01385	2.6
95.05019	1.9
97.02959	4.8
99.00885	2.9
99.04547	1.5
101.02465	6.9
106.50396	1.0
109.02962	6.6
111.00903	5.3
111.04526	10.8
112.01678	77.3
113.02464	72.4
113.06103	2.1
115.04008	3.0
116.05045	2.6
116.92842	1.3
119.05024	1.6
123.04534	3.1
125.02441	4.7
127.04032	13.7
131.03520	60.2
143.03564	1.3
154.01450	1.4
155.03545	9.1
159.04556	1.9
173.04585	19.3
185.04507	1.4
187.07640	3.3
215.08295	2.5
275.07739	100.0
276.08023	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	11.7
58.00606	1.5
59.01386	10.8
68.99815	1.1
69.03467	9.7
69.18551	5.5
71.01389	59.2
73.02951	5.8
81.03457	4.7
83.01380	2.3
83.05038	8.9
85.02954	19.5
86.02515	2.0
87.00887	1.4
87.04530	8.8
89.02454	1.4
92.23482	1.2
93.03446	1.5
95.01385	2.6
95.05019	1.9
97.02959	4.8
99.00885	2.9
99.04547	1.5
101.02465	6.9
106.50396	1.0
109.02962	6.6
111.00903	5.3
111.04526	10.8
112.01678	77.3
113.02464	72.4
113.06103	2.1
115.04008	3.0
116.05045	2.6
116.92842	1.3
119.05024	1.6
123.04534	3.1
125.02441	4.7
127.04032	13.7
131.03520	60.2
143.03564	1.3
154.01450	1.4
155.03545	9.1
159.04556	1.9
173.04585	19.3
185.04507	1.4
187.07640	3.3
215.08295	2.5
275.07739	100.0
276.08023	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0928
Annotation	Capensine
Peak:m/z	Relative Intensity
59.01366	0.3
65.00329	0.3
67.62482	0.2
69.35561	0.6
69.35975	0.6
74.24308	0.2
91.01897	0.8
95.01390	0.3
98.21828	0.4
108.79926	0.2
116.92867	0.4
119.01408	0.6
124.10246	0.2
124.31506	0.2
144.07193	0.3
150.03177	0.3
163.00383	20.0
164.00696	0.5
177.01936	1.2
178.02699	0.4
190.99872	100.0
192.00240	2.8
192.95897	0.7
201.01993	1.2
202.99922	0.6
205.01427	4.5
206.02213	24.2
207.02605	0.9
220.43059	0.3
243.06581	0.4
260.06775	0.5
275.09277	5.2
289.00821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36644	0.3
59.01383	0.5
69.19044	1.7
71.01393	0.3
73.83372	0.3
77.03986	0.3
89.04004	0.3
90.54533	0.3
97.06620	0.3
105.03471	0.9
106.04205	0.3
117.03447	1.6
131.96873	0.3
133.02950	2.7
134.03760	10.9
135.04552	7.1
137.02402	0.4
145.02930	1.5
147.12930	0.2
161.02444	1.5
162.03230	6.2
163.03978	0.6
172.05347	0.4
173.02499	2.0
174.06851	1.1
175.07487	0.3
175.48740	0.3
178.02734	1.1
187.07680	1.2
189.02017	0.5
201.01950	100.0
202.02309	3.7
202.06259	0.5
203.03436	0.3
203.10834	0.7
213.09218	1.0
217.05022	0.5
218.05844	0.3
231.06691	0.3
231.10262	3.6
243.06613	1.4
245.04575	1.5
246.05275	0.5
260.06906	10.9
261.07324	0.6
275.09274	47.5
276.09656	2.3
297.12280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29567	0.4
54.94098	0.4
56.82109	0.4
58.90045	0.5
59.68412	0.5
62.77965	0.4
66.96544	0.5
68.61498	0.5
69.22398	2.4
74.83701	0.5
81.03498	0.6
96.68547	0.5
117.03456	1.0
118.04263	18.2
119.05107	3.3
125.02409	0.5
130.03355	0.5
133.03003	0.6
134.03740	3.6
137.02455	0.6
145.02972	12.4
161.02496	3.1
162.03239	16.7
163.04010	5.9
173.02451	1.0
176.01120	0.7
186.06949	0.8
188.04781	0.6
189.01949	32.3
190.02730	100.0
191.03114	2.6
199.07597	0.9
201.01947	19.6
201.05579	0.6
202.02357	0.7
203.03455	0.8
204.04285	3.2
205.05070	21.3
205.07021	1.1
206.05495	0.5
214.06319	0.8
216.04343	0.9
222.01715	1.9
231.06638	1.1
236.03285	1.4
242.05766	2.7
242.99663	3.5
243.06616	11.6
245.04605	0.6
257.08151	2.5
260.06912	28.1
261.07300	1.0
275.09268	79.4
276.09570	3.9
281.04242	0.5
290.67496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0928
Annotation	Capensin
Peak:m/z	Relative Intensity
59.01372	7.8
59.08145	4.5
70.65298	6.4
70.65649	6.2
77.37319	4.2
97.06585	7.4
113.02388	4.4
116.92859	10.9
119.25460	4.4
133.02979	7.7
134.03758	100.0
135.04483	8.9
137.02397	6.0
137.55438	4.4
149.95482	4.2
158.29214	4.3
161.02359	8.1
162.03258	26.3
177.01807	5.3
178.02716	33.7
179.03377	4.0
190.99794	5.7
192.95801	9.0
201.01863	5.8
205.01523	7.6
217.01430	19.0
234.05656	7.1
260.06821	17.6
275.09344	49.3
277.14236	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	275.0929
Annotation	Capensine
Peak:m/z	Relative Intensity
54.12311	1.0
59.01379	2.3
69.03462	1.6
71.41423	1.0
81.03483	0.9
90.04683	0.9
91.01910	1.3
97.02937	1.1
107.01417	5.9
119.01408	2.4
125.02454	2.0
135.00920	16.7
140.87668	0.9
147.00838	1.3
150.03258	2.3
163.00398	33.0
177.02043	1.2
189.01907	1.9
190.99887	99.4
192.00204	3.3
192.95914	1.7
201.01965	8.0
202.02325	1.0
203.03461	0.9
206.02225	100.0
207.02594	3.4
243.06729	1.8
260.06937	1.9
275.09219	3.4
275.12357	0.9
293.54968	1.1
296.34427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89600	0.5
59.01380	0.6
59.40826	0.5
69.23736	2.5
87.21048	0.5
98.21920	1.2
103.82304	0.5
109.02931	0.7
118.04298	3.0
125.02450	0.9
125.53774	0.5
132.02182	1.7
134.03796	0.7
135.04602	0.8
136.01602	0.6
136.37471	0.5
145.02943	1.3
146.03773	0.6
147.04485	0.5
161.02322	0.8
162.03203	2.1
173.02463	3.2
173.06145	0.6
174.03204	1.0
175.04027	2.5
186.06799	1.0
187.07591	0.6
188.08461	1.6
189.01950	1.4
189.05579	5.5
190.02733	10.7
191.02893	0.5
201.01952	49.5
202.02628	4.4
203.03467	3.5
204.07925	4.7
212.04822	0.6
214.06419	0.8
215.07086	3.6
216.07854	0.8
217.01694	0.6
217.05072	8.5
222.01700	3.1
229.05029	1.7
229.08630	0.7
230.05888	0.9
231.10194	0.6
232.07423	3.1
242.05888	2.0
243.06633	1.6
245.04570	8.4
245.08182	6.9
257.08221	2.2
260.06909	51.1
261.07257	2.0
275.09277	100.0
276.09637	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	275.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66047	0.2
62.46680	0.2
69.52194	0.2
69.52534	0.8
69.60829	0.2
71.01374	0.2
71.60728	0.2
73.04683	0.2
75.50700	0.2
98.22651	0.4
109.38691	0.2
117.03477	0.3
133.02979	0.4
134.03781	1.2
135.04575	0.3
141.68118	0.2
144.31064	0.2
145.02962	0.8
157.02979	0.2
161.02478	0.6
162.03238	0.5
163.04051	0.5
173.02449	2.5
173.06131	0.2
174.03206	0.2
187.07715	0.3
188.04773	0.9
190.02693	0.8
192.95924	0.2
201.01949	100.0
202.02310	3.3
203.03511	0.9
216.64456	0.2
225.05612	0.9
231.06749	0.2
231.10315	0.6
243.06619	6.5
244.07028	0.2
245.04547	1.6
260.06918	15.3
261.07266	0.7
275.09280	37.9
276.09573	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	275.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18839	0.3
56.82722	0.3
59.01375	0.6
69.03448	0.4
69.36329	1.5
71.01414	0.3
72.36356	0.3
85.02939	0.3
95.05045	0.4
98.22709	0.4
105.03439	0.7
122.03712	0.5
130.04266	0.8
133.02960	1.6
134.03749	3.7
135.04544	1.0
144.05826	0.4
145.02965	0.3
146.03735	1.3
149.06033	0.3
151.07616	1.1
157.06650	0.7
158.03755	3.4
159.04523	4.5
159.08168	0.8
160.05260	0.3
161.02525	0.5
162.03252	1.3
168.81616	0.3
172.05325	13.9
173.06105	8.0
174.06790	0.8
175.07681	0.7
178.02737	0.6
183.04529	0.5
184.05324	0.5
187.04230	4.0
187.07669	100.0
188.08015	3.4
189.09183	0.3
195.08073	0.3
197.06102	0.4
198.06720	0.4
200.04773	0.5
200.07224	0.4
201.05600	9.6
202.06386	18.7
203.06816	0.7
203.10805	1.0
204.04358	0.5
213.09238	3.1
215.07133	0.7
216.07930	0.8
231.10275	22.8
232.10690	1.4
233.08282	1.4
261.44458	0.4
263.18781	0.3
275.09277	6.5
276.08743	1.4
286.91922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.093
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42074	0.1
75.89051	0.2
95.05056	0.2
98.22700	0.4
105.03463	0.4
108.38050	0.2
117.03471	0.4
118.04286	0.3
133.02965	1.1
134.03754	3.0
135.04535	0.4
145.02960	0.4
146.03760	0.2
161.02477	3.4
162.03247	1.2
163.03981	0.2
173.02513	0.9
174.03233	0.3
175.04080	0.2
177.02005	0.4
178.02786	0.9
189.01967	3.5
190.02702	0.3
196.53477	0.2
201.01959	100.0
202.02350	3.5
203.03481	0.2
203.10715	0.2
217.01454	5.0
217.05070	0.6
231.10283	1.2
242.20016	0.2
245.04671	1.3
250.52380	0.2
260.06979	2.2
275.09286	35.3
276.09647	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	275.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.8
62.40816	0.3
70.39551	0.6
72.63977	0.3
75.23827	0.3
75.91602	0.3
87.00888	2.7
89.03970	3.0
93.53864	0.3
103.00391	2.2
105.03463	0.6
112.98813	3.4
117.03465	5.7
118.04278	3.1
125.09048	0.3
133.02953	1.7
134.03758	5.4
135.04512	0.7
137.02477	0.3
143.10785	10.2
148.05321	1.6
149.00797	0.3
151.03865	0.3
161.02440	3.1
162.03221	4.9
174.06831	1.0
175.04024	3.4
177.01910	0.5
178.02739	0.6
187.07625	0.4
189.01944	100.0
190.02710	23.9
191.03166	0.5
201.01965	1.0
203.10770	4.3
205.01413	1.1
205.05060	3.0
213.05560	0.9
217.01398	0.6
217.05002	0.4
222.01701	2.3
225.05507	0.3
228.04257	0.5
231.10217	1.6
242.05727	0.4
243.06657	4.3
247.09744	1.6
260.06909	25.3
261.07199	1.4
273.31522	0.3
275.09259	54.3
276.09506	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	275.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.7
65.45232	0.7
70.73453	1.3
87.00892	6.8
89.03979	0.8
103.00378	5.0
104.02695	31.5
104.82823	0.6
108.02178	2.3
112.98824	10.9
117.03443	0.9
117.39796	0.7
118.04288	1.5
120.02193	4.9
122.03729	1.1
123.04620	0.8
127.20470	0.9
130.99832	0.9
133.03050	0.8
136.01672	1.0
143.10789	25.7
145.02979	0.7
148.01675	33.3
155.04968	0.8
159.00980	1.0
161.02467	2.8
162.03004	0.9
163.00348	0.9
171.04544	1.8
173.02441	1.8
176.01160	75.1
177.01930	5.7
186.06842	0.9
189.01965	7.1
190.02730	9.5
190.99893	13.7
192.00613	3.1
199.04019	1.9
201.01944	10.0
201.05627	0.9
204.00653	7.5
205.01419	5.6
205.04843	0.7
213.05614	1.3
214.06383	2.3
216.02840	0.9
217.04997	0.8
225.05548	5.5
227.03532	4.1
228.04240	1.3
229.02638	0.8
230.02109	1.0
231.06711	1.5
241.05107	5.2
242.05800	2.4
243.06621	22.9
244.07018	1.2
245.04555	5.7
245.08159	4.0
259.06070	1.7
260.06897	77.3
261.07144	3.6
275.09256	100.0
275.16037	4.0
276.09500	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.114
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36065	0.8
59.01384	44.0
61.07958	0.7
67.55494	0.8
69.28564	4.8
72.99318	1.6
84.99321	1.8
87.00887	23.2
89.03969	2.9
95.05030	2.9
97.06596	1.2
103.00381	20.0
105.03481	3.9
112.98824	35.9
117.03449	4.0
118.04259	1.4
123.04482	0.9
130.99884	3.7
133.02986	10.1
134.03752	27.5
135.04591	7.4
137.02470	1.5
137.53467	1.1
139.03976	1.4
140.09006	0.8
143.10793	100.0
144.11130	2.1
148.05287	4.7
149.00890	1.8
161.02512	4.6
162.03227	11.2
173.06036	1.6
174.06836	3.2
175.03955	1.0
178.02727	7.8
187.07640	2.7
189.01950	35.7
190.02748	9.6
201.01944	1.5
202.06538	1.4
203.10817	11.1
205.05145	1.8
213.09259	1.8
217.05043	0.9
231.10275	17.8
232.10753	1.3
243.06638	1.9
247.09749	3.5
260.06937	9.0
275.09232	51.1
276.09598	3.1
281.07724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63126	1.2
59.01385	100.0
61.20927	1.2
70.65221	2.5
72.99304	2.1
87.00889	19.8
99.17912	1.3
103.00382	38.7
112.98825	2.3
116.92879	2.6
124.38228	1.3
130.99892	17.7
133.02962	4.9
134.03749	12.9
135.04579	2.6
143.10789	9.0
162.03247	5.0
178.02820	2.2
189.01930	1.6
192.95833	2.0
201.01967	18.2
217.01657	1.5
227.09558	1.3
231.10245	7.1
275.09213	11.9
275.11594	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	275.2019
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.13636	1.4
54.13023	1.2
54.58980	1.2
55.59999	1.4
59.01377	10.6
64.89674	1.3
70.51765	3.0
71.01402	1.5
73.88477	1.3
78.66177	1.2
84.72410	1.2
137.18216	1.3
146.58951	1.1
177.16486	2.2
192.95813	2.4
231.21181	12.0
257.19162	1.4
275.20172	100.0
276.20508	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	276.088
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
51.77837	0.7
51.80446	0.8
53.93947	0.8
55.09857	0.7
58.44655	0.7
70.27692	1.7
98.21953	1.5
101.03974	0.9
110.74139	0.8
115.05535	1.4
120.30093	0.9
132.04584	1.8
144.05785	0.7
156.05815	3.7
157.05345	2.0
157.06590	25.0
159.08148	1.4
160.03957	4.5
161.06085	1.3
172.05255	0.9
172.07729	2.2
173.05989	5.1
174.06851	3.9
180.86452	0.9
182.06078	1.5
187.07620	5.8
188.07994	15.3
189.09233	18.2
200.07205	22.9
202.06038	2.2
203.06706	2.7
206.88130	0.9
214.09494	1.0
217.05167	1.2
232.09967	6.4
233.08203	73.9
234.08498	3.3
276.08798	100.0
277.06369	1.2
277.08923	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	276.088
Annotation	Unknow
Peak:m/z	Relative Intensity
87.78091	0.9
97.15397	0.8
98.02451	0.9
98.52536	0.8
99.00896	1.4
105.03448	1.1
116.05080	25.3
117.03457	2.5
119.12706	0.8
120.22230	0.8
120.92347	0.8
129.07130	3.6
135.04222	1.2
136.04886	2.5
144.04584	9.9
144.05617	1.4
145.02968	9.1
156.05809	2.0
156.08134	1.5
157.05350	4.7
157.06589	46.9
158.07007	0.9
161.02400	1.0
170.06148	2.1
172.07703	100.0
173.06047	3.4
173.07999	2.6
180.03793	1.2
182.06181	1.6
183.04439	2.3
200.07193	52.5
201.05681	2.0
201.07446	2.2
203.03554	1.2
216.06691	8.0
226.05009	3.9
232.10498	1.4
233.08250	1.0
234.05649	1.2
244.06194	2.1
276.08817	49.8
277.09210	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	276.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89798	1.7
51.31852	1.5
58.02967	3.7
59.01405	3.6
70.02987	3.2
71.01399	4.7
71.04994	3.9
71.44785	1.6
75.39233	1.6
76.05913	1.7
77.96686	1.6
78.95933	1.8
82.02999	19.0
92.05067	100.0
95.05025	2.5
99.05651	2.0
109.04093	8.0
115.04009	7.3
119.05075	1.9
121.02987	4.0
127.05183	4.2
133.02950	5.7
135.04538	6.1
136.04057	77.6
137.04375	2.0
139.05128	20.1
140.34531	1.6
146.08260	16.4
147.09279	5.4
148.04068	13.0
159.04530	4.1
161.06065	3.0
171.04463	2.2
186.05618	2.3
189.05641	3.8
204.11438	14.1
214.05119	13.1
217.06082	2.6
217.11923	2.5
232.10960	14.5
248.10442	12.8
276.09955	76.1
277.09897	2.2
277.12442	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	276.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18983	21.5
54.05321	20.0
55.03387	21.4
70.95765	38.4
71.31573	20.8
100.79960	26.6
118.94180	26.8
126.08835	26.7
149.33586	27.7
152.91768	51.0
194.92848	100.0
215.01263	21.2
224.78693	21.6
260.34702	28.0
276.16077	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65759	3.7
62.64309	3.2
65.75342	3.3
66.90923	3.2
70.77970	5.2
77.43945	3.4
81.54642	3.3
83.43456	3.2
88.10347	3.9
91.05518	5.5
94.29462	3.5
128.07173	34.7
152.91776	7.9
168.64763	3.2
170.07784	3.8
194.92860	13.3
232.13429	100.0
233.13684	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	276.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02931	0.6
56.69604	0.7
57.02089	0.7
59.01384	1.3
59.69670	0.7
59.75919	0.7
60.12506	0.7
70.44576	1.1
71.01386	14.1
72.99307	7.2
78.95901	7.0
89.02446	2.6
96.96975	15.1
105.01949	13.4
107.02412	1.1
113.03563	1.6
113.64278	0.7
114.01995	1.5
115.00382	40.4
116.98782	0.9
118.96645	3.2
120.55035	0.8
131.04617	4.0
133.01442	100.0
134.01749	1.8
146.96135	0.9
149.04575	1.0
160.97699	1.4
202.98758	2.1
215.74875	0.8
216.96674	10.3
234.97842	1.8
276.98633	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	277.0621
Annotation	Monomarginine
Peak:m/z	Relative Intensity
65.99862	0.5
69.62345	0.5
70.15194	1.0
74.87540	0.4
82.36129	0.5
82.58897	0.4
102.03501	0.9
121.02970	0.6
134.01517	0.9
134.02505	7.9
134.03752	10.8
134.04724	0.8
135.04553	4.5
139.15453	0.4
142.02927	0.7
146.02499	0.6
152.91801	0.9
156.03358	0.5
157.01683	1.2
164.05081	1.1
166.82736	0.5
177.05812	0.4
179.05014	0.6
184.02824	4.4
190.06647	7.4
192.04559	0.7
194.06166	2.0
194.92853	1.9
203.03601	0.7
205.05264	1.1
206.06142	1.1
207.04529	1.3
208.04169	0.5
217.54292	0.5
221.04887	0.9
221.07593	0.5
222.05617	12.1
223.06003	0.7
231.62828	0.4
233.04843	4.0
234.05612	45.1
235.05948	1.6
249.04324	2.1
249.06601	2.3
250.02438	1.0
250.05113	38.6
251.05444	2.3
259.05142	3.4
277.06207	100.0
277.10471	3.7
278.06696	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	277.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
61.36313	0.3
69.16788	2.3
82.46118	0.3
91.10596	0.3
93.27732	0.4
102.03516	0.5
118.02937	0.6
134.02501	7.3
134.03554	0.6
146.02507	0.6
152.91708	0.7
156.03334	0.6
157.01613	0.4
164.05022	0.5
178.06685	0.5
184.02760	3.2
190.06654	5.2
192.04553	0.9
194.06102	1.1
194.92801	1.2
205.05360	2.2
206.06038	1.2
207.04585	1.6
221.04796	1.0
222.05623	10.0
223.05917	0.6
233.04828	5.3
233.06935	0.7
234.05611	41.5
235.05925	2.0
249.04721	2.6
249.06308	2.6
250.05104	32.9
251.05466	1.3
259.05103	2.6
277.06195	100.0
277.21799	0.9
278.06616	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	277.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77250	0.6
59.01384	0.9
67.69460	0.6
67.74062	0.6
83.48952	0.5
87.00855	0.8
134.02489	6.9
157.01715	0.7
164.05064	0.7
173.03325	0.7
184.02812	3.7
190.06651	5.5
194.06133	1.9
194.92867	2.1
205.05339	1.4
206.06104	1.2
207.04562	1.6
222.05576	8.6
223.06107	0.8
233.04869	2.8
234.05621	35.2
235.05920	2.2
249.04308	2.5
249.06790	3.2
250.05101	34.3
251.05457	1.7
259.05115	6.9
277.06201	100.0
277.21811	2.0
278.04538	3.8
278.06696	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	277.0622
Annotation	Hadranthine B
Peak:m/z	Relative Intensity
52.27010	0.5
52.58501	0.5
54.47590	0.4
54.81577	0.4
57.03452	0.5
59.01381	5.6
64.00656	1.9
65.99541	0.8
65.99856	9.0
69.03492	0.6
70.02969	0.8
70.83398	0.4
71.05014	1.2
74.02454	1.2
90.03490	0.9
93.03470	0.8
95.05016	0.5
115.03990	0.6
116.64426	0.5
117.02256	0.7
118.02995	6.0
121.02964	1.1
129.87747	0.5
130.04269	0.8
134.02490	4.8
134.03615	0.9
135.04582	1.0
137.09734	3.4
141.04570	2.1
142.03003	4.6
143.02486	1.1
146.02489	2.7
146.08281	4.6
149.25826	0.5
156.03348	11.0
156.04552	1.6
157.04083	6.2
158.02512	5.6
173.88126	0.6
181.04100	0.6
184.02797	20.2
194.06021	0.9
201.01947	1.5
202.02753	5.9
203.03419	1.5
205.07449	0.5
205.46101	0.5
217.12044	0.7
221.04970	1.1
222.05600	6.9
231.05708	1.4
234.05592	3.3
249.04323	1.9
249.06702	12.4
250.05101	14.2
259.05124	28.9
260.05463	1.5
277.06195	100.0
277.21658	0.8
278.06647	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	277.0623
Annotation	Monomarginine
Peak:m/z	Relative Intensity
53.72164	0.4
62.10184	0.4
65.68829	0.3
69.13460	2.7
70.02958	0.4
71.05029	0.6
79.88457	0.4
96.23268	0.4
97.54583	0.4
102.03506	0.5
118.02988	0.6
121.02954	1.0
133.02913	0.6
134.02505	7.7
134.03566	0.8
142.02960	0.4
145.02940	0.6
146.02507	1.0
146.08253	1.8
147.04543	0.7
152.91766	0.5
157.01691	0.6
164.05098	1.1
172.03972	0.4
172.05353	1.2
179.03603	0.4
184.02806	4.4
186.06924	0.8
188.19293	0.4
190.06667	5.8
191.06862	0.6
192.04558	0.8
194.06134	1.0
194.92851	0.4
201.09258	4.6
203.03528	1.1
205.05328	1.1
206.06134	0.8
207.04565	0.7
221.04851	0.4
222.05626	9.5
223.05890	0.5
233.04836	3.5
234.05629	36.2
235.05981	1.5
245.08209	0.4
249.04285	2.3
249.06813	2.3
250.05119	34.6
251.05475	1.3
259.05203	3.0
272.94159	0.4
277.06210	100.0
277.21710	0.9
278.06552	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	277.0719
Annotation	Microdiplodiasone
Peak:m/z	Relative Intensity
55.01876	2.0
59.01369	5.3
65.00327	2.6
65.03955	4.2
67.01896	14.8
69.31255	8.0
71.01371	1.5
72.99300	2.0
82.00613	1.9
83.01396	47.6
84.54716	1.3
85.06594	100.0
86.06956	1.8
87.00887	2.6
91.01906	13.7
93.03474	6.1
95.01400	14.4
95.05058	3.5
96.02162	1.8
96.99332	1.9
97.02972	1.7
98.00117	2.1
98.21917	2.9
105.01954	7.7
105.03484	1.6
105.33384	1.3
107.01395	3.2
107.05047	19.4
108.02189	10.9
109.02974	13.1
110.00124	4.7
111.00879	6.8
111.08180	2.0
113.02464	3.1
113.06094	19.3
115.04021	14.8
119.01395	4.4
119.05036	3.1
121.02956	4.2
121.06646	2.6
122.00101	3.9
122.03735	1.8
123.00903	5.7
123.08128	1.5
124.98816	3.2
125.02435	3.0
125.06111	16.0
129.05574	3.8
129.10333	6.4
131.43434	1.4
133.02979	4.6
134.03746	1.8
135.00877	4.8
136.01692	10.7
137.02458	63.9
137.06073	4.1
139.00388	5.0
140.01189	3.2
145.02982	3.3
146.08261	2.9
147.04536	5.8
147.08176	4.7
149.06071	4.1
151.00302	2.0
151.03984	2.2
152.01251	3.4
153.02003	1.9
157.05055	3.7
159.04559	2.6
161.02396	1.4
161.06082	1.4
163.00391	61.1
163.07582	2.4
164.01172	35.3
165.05576	13.1
165.09178	1.9
167.07132	2.5
171.08163	1.7
173.06093	4.3
175.04028	3.6
176.01170	2.1
177.01950	17.0
177.09233	1.4
178.02214	1.4
180.00760	3.2
181.01427	14.1
189.05849	1.6
189.07683	5.3
189.09267	22.1
190.02684	1.4
191.07253	10.4
193.05118	11.2
203.03513	8.6
205.01447	12.9
205.08746	10.5
208.00142	66.6
215.07117	2.4
218.97675	1.3
233.08115	9.2
259.06308	1.8
277.03873	4.4
277.07187	72.5
277.15390	6.5
277.21786	2.7
278.07516	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	277.072
Annotation	Alternarienonic acid
Peak:m/z	Relative Intensity
59.01395	1.2
60.52848	0.5
65.03964	4.1
67.01907	1.4
71.05016	0.7
91.01922	5.4
93.03464	1.0
97.02962	2.2
98.22674	2.0
108.02187	0.6
109.02966	100.0
110.03299	1.6
117.03471	1.4
119.01405	9.8
119.05028	4.4
121.02975	3.0
123.04532	2.8
129.07130	1.4
129.87617	0.7
130.03416	0.8
130.04259	3.8
131.05046	2.8
133.02986	1.8
135.00926	0.9
135.04396	0.8
136.01671	0.8
138.78358	0.7
139.04070	1.5
145.03015	2.4
145.06595	1.9
146.03772	2.4
146.08261	3.1
147.00902	65.5
147.04562	2.7
148.01714	3.6
149.02458	1.6
151.03987	1.5
157.06583	0.9
158.03757	2.8
159.04529	1.0
161.01137	0.8
161.02475	13.5
163.04025	2.9
165.01971	1.9
165.42888	0.7
167.03519	15.0
173.06093	17.4
174.03247	22.8
175.03966	2.1
179.03519	84.6
180.04167	3.8
189.05605	2.2
190.99879	0.8
201.01973	1.3
201.05551	3.2
202.02393	1.9
203.02519	2.9
205.05223	0.8
206.02339	1.0
217.05072	22.4
218.05406	1.1
219.02986	1.4
233.08179	0.7
234.03430	1.3
234.05640	14.6
235.06145	0.9
245.04590	2.3
258.33197	0.7
262.07526	0.7
277.07217	55.2
277.09729	2.3
277.21765	1.3
278.07492	3.1
281.31015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0931
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
52.07394	0.4
55.01878	1.6
55.80366	0.4
57.03456	1.2
59.01386	5.6
69.03462	1.9
70.08730	1.0
70.09084	0.5
71.01389	100.0
71.05019	0.5
72.01729	0.7
72.99306	0.4
73.02955	4.9
79.62826	0.5
80.22520	0.4
83.01399	6.1
85.02961	7.4
87.00888	8.1
87.04526	2.2
89.02457	6.9
95.01393	1.4
97.02939	0.5
99.00896	1.3
101.02457	4.5
113.02466	6.5
115.04038	1.0
125.02488	0.8
133.05087	78.9
134.05475	1.2
143.03607	0.6
153.47946	0.4
161.04584	0.9
166.86147	0.4
187.06165	2.0
277.09329	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	277.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03456	0.7
59.01385	47.0
60.01699	0.4
65.01991	0.4
71.01386	12.2
71.05016	0.9
73.02950	2.2
83.01394	1.1
85.02946	2.8
87.00883	0.6
89.02459	4.7
95.01378	0.7
97.02978	0.6
99.00888	1.3
101.02450	5.3
113.02468	4.5
115.04022	100.0
116.04368	1.5
119.03510	2.9
131.03546	0.5
133.05103	0.6
157.05093	1.6
161.04608	1.7
165.18509	0.4
185.04202	0.4
199.06171	0.9
217.00136	1.9
221.58528	0.4
277.09317	23.1
277.21243	0.4
278.09656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0931
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
57.03452	3.2
59.01378	30.8
60.32046	1.7
69.03448	3.6
70.91084	2.2
71.01384	22.3
71.05025	19.6
71.05386	2.6
72.99297	1.9
73.02935	2.1
75.00879	7.2
78.95876	2.2
83.05038	3.4
85.02952	10.6
87.00868	2.5
89.02473	7.8
91.65372	1.5
95.01394	4.6
95.05037	14.7
97.02954	10.3
97.06557	2.3
98.03798	1.7
99.04522	2.5
101.02451	9.8
103.06530	1.6
107.05050	7.0
109.02981	2.5
111.04511	7.9
113.02455	16.2
113.06100	8.0
115.04020	100.0
116.04350	2.9
119.03506	3.9
119.05042	6.0
121.02951	3.9
125.06085	8.0
127.04028	4.0
133.02972	1.9
133.06598	1.8
135.04572	2.1
139.04015	20.0
146.08276	6.3
151.04007	4.8
152.91771	2.5
157.05098	7.8
161.04559	1.8
161.06018	2.6
169.05124	2.7
175.03940	2.2
179.03465	2.2
187.06166	4.1
194.92831	3.2
203.03510	3.6
233.04514	1.7
246.22484	1.6
277.03629	3.6
277.07428	2.5
277.12393	3.7
277.21768	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17487	2.8
55.74528	2.7
57.03453	4.6
59.01382	38.1
63.70317	3.2
69.03464	3.7
71.01387	30.5
71.05022	21.4
72.99310	4.9
73.02961	5.0
75.00882	17.3
78.95908	31.4
81.03464	4.2
82.02957	2.6
83.01406	3.2
85.02968	10.3
89.02441	9.4
89.16183	2.9
95.05035	9.0
96.96979	6.5
97.02959	9.3
97.06593	3.0
99.04531	4.9
99.36713	3.0
101.02480	7.5
109.02972	6.7
111.04523	7.8
113.02463	11.7
113.06097	8.7
115.04018	100.0
118.96642	3.4
119.03533	5.1
123.04539	3.6
125.06082	15.7
127.04045	7.8
128.03552	40.9
129.01930	3.5
134.96074	4.2
134.97064	38.7
136.93997	4.7
139.04008	16.1
147.03082	6.0
148.04436	14.8
151.04021	7.9
157.05072	6.9
169.05127	8.2
176.98116	11.1
178.95038	9.2
187.06094	8.5
194.93936	4.5
203.03438	2.9
210.91032	3.2
216.96663	7.5
217.00145	9.4
241.06509	5.9
259.07547	5.4
270.25653	3.1
276.98218	19.2
277.08801	7.7
277.21765	7.4
293.72906	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30828	1.6
56.93347	1.8
57.03456	3.5
59.01382	31.6
61.02790	1.9
61.98832	5.7
66.01625	1.9
69.03455	3.5
71.01390	25.9
71.05028	22.3
71.70690	2.0
72.99313	7.4
75.00887	11.2
78.10366	1.7
78.95904	16.2
81.03486	2.7
82.02993	4.7
83.01405	2.3
83.05033	2.6
84.04553	2.7
85.02969	11.0
87.00875	3.1
89.02466	5.9
91.05485	1.7
95.05047	10.7
96.96983	6.4
97.02962	11.4
97.06632	3.3
99.00867	2.4
99.04539	2.0
100.04079	2.5
101.02452	7.4
107.05051	4.1
109.02937	3.8
110.10425	1.8
111.04555	7.8
113.02485	9.3
113.06079	6.4
115.04025	100.0
116.04366	2.1
118.96647	2.9
121.02956	2.6
123.04508	4.6
125.06111	11.1
127.04024	5.3
128.03557	88.1
129.01961	3.4
129.03944	1.9
132.98196	1.9
133.05087	1.7
134.97011	3.2
136.93987	2.5
139.03996	15.4
147.03020	5.3
148.04385	32.7
151.04007	5.8
152.91890	3.1
157.05052	6.7
159.06664	2.4
160.97714	1.8
167.08284	8.7
169.05074	4.2
169.40411	1.7
174.99152	3.6
178.82219	1.8
178.96185	4.2
183.09230	1.9
187.06125	9.2
189.00652	3.6
197.07558	1.9
209.71385	2.0
215.08566	6.6
216.96719	7.0
217.00098	27.0
217.02191	3.0
217.03018	3.0
235.01093	2.7
241.06606	10.1
259.07541	20.6
276.98325	3.5
277.08984	8.7
277.12289	1.8
277.21771	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	277.1084
Annotation	Avicennone G
Peak:m/z	Relative Intensity
69.25208	1.0
69.25613	2.3
73.37775	0.5
76.06748	0.5
77.40585	0.5
81.54921	0.5
89.03975	1.1
97.08942	0.6
99.70758	0.6
117.03475	1.4
118.04258	4.0
124.01675	0.8
129.75883	0.6
131.05045	0.7
134.03745	1.4
140.80545	0.6
146.08192	0.9
147.04614	0.7
161.02446	7.0
162.03239	3.0
172.55701	0.5
174.03278	1.4
175.04079	1.1
176.01212	0.9
177.01961	4.0
189.01952	28.0
190.02731	45.3
191.03183	1.0
192.00626	0.6
194.92921	0.6
203.03516	100.0
204.03845	4.3
205.01437	1.7
217.05040	0.9
222.01721	6.5
231.06630	14.1
232.07256	1.0
245.08159	3.9
247.02492	0.7
247.06056	1.3
261.07690	1.3
262.08478	77.3
263.08801	5.2
277.10828	89.3
278.11053	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	277.1229
Annotation	Pantetheine
Peak:m/z	Relative Intensity
57.47076	0.3
57.70312	0.4
58.02974	4.6
59.01395	0.7
69.44259	0.3
70.02987	13.7
71.01386	1.1
71.03296	0.4
71.05028	25.8
72.00921	1.4
87.05644	7.3
93.02753	0.4
97.04045	0.4
99.00890	0.9
99.04537	7.4
99.08175	1.7
115.00388	1.0
115.05135	1.7
116.07205	4.3
119.05011	0.4
120.53696	0.4
121.02982	0.5
129.05588	1.7
130.03337	10.8
133.03015	0.8
137.50719	0.4
144.04630	0.4
145.02972	1.1
145.08730	6.0
146.08250	100.0
147.04556	1.7
147.06000	5.6
147.08615	1.7
161.02409	2.7
161.06067	0.4
175.04008	1.4
177.01991	2.2
203.03558	2.8
215.03645	0.6
217.11949	23.5
218.12328	0.7
233.04591	1.6
243.13524	0.6
277.03690	1.9
277.12292	34.2
278.10016	0.7
278.12656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19469	0.5
58.02977	3.9
59.01381	0.8
69.53288	1.4
70.02983	12.7
71.01383	0.9
71.05023	26.7
72.00906	0.8
72.87006	0.5
83.01367	0.7
87.05644	8.9
93.03502	0.6
99.04527	7.7
107.05037	0.6
110.79577	0.5
113.02506	0.6
115.04052	0.8
115.05164	1.9
116.07186	3.5
119.05019	2.5
121.02952	1.3
129.05591	2.0
130.03325	10.9
131.05089	0.5
145.02972	1.2
146.08249	100.0
147.04547	2.2
147.05988	5.0
147.08559	2.0
162.05756	0.7
175.04007	1.1
189.05510	0.6
203.03540	3.2
215.03668	0.6
215.07021	0.6
217.11951	25.3
218.12291	0.6
233.08238	1.3
277.03519	2.3
277.07309	2.6
277.12280	37.8
277.21786	2.3
278.06857	0.9
278.12488	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	277.1663
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01387	3.4
61.98875	0.7
66.20923	0.7
69.21334	4.0
84.62610	0.7
98.22697	1.3
103.02257	1.1
121.03254	3.4
134.89474	1.0
147.08505	4.5
149.01025	1.0
165.00468	12.3
189.04105	1.3
191.05688	12.9
194.92857	1.2
205.07246	1.8
205.16035	1.1
217.07115	0.9
231.08723	1.6
233.10367	100.0
234.10461	5.9
241.79257	0.8
259.15430	1.1
277.16595	84.6
277.21512	33.4
278.16803	5.5
278.22113	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	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29395	0.5
59.01389	7.4
61.98822	1.1
65.88528	0.5
69.02431	0.4
71.01350	0.6
71.40570	0.5
106.69588	0.4
116.13200	0.4
121.02962	1.2
134.89467	0.6
148.65273	0.4
152.91760	1.5
174.19757	0.4
178.02678	0.4
194.92804	2.4
194.95546	0.6
205.16048	0.9
233.19159	0.9
259.20627	0.6
276.93433	0.5
277.18228	9.9
277.21722	100.0
278.18579	0.8
278.22083	6.2
284.85278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2175
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.98931	0.8
59.01175	0.7
59.01377	7.5
59.60855	0.9
61.98826	1.3
62.09527	0.8
71.09937	0.8
73.57397	1.0
81.04031	0.8
114.56862	1.1
121.02971	1.9
152.91751	1.7
154.82993	0.8
194.92796	2.1
205.15985	1.2
211.27675	0.8
236.29727	0.9
276.46094	0.9
277.18201	9.8
277.21722	100.0
278.18951	1.4
278.21957	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48624	0.6
59.01382	5.3
69.33912	1.2
69.34321	2.1
80.04967	0.6
83.05017	1.1
99.66160	0.5
156.83917	0.7
208.81445	0.8
233.22742	2.6
259.20621	0.9
277.21741	100.0
278.22040	6.3
290.07547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95213	0.3
59.01381	4.5
69.06973	2.5
71.01399	0.4
98.54162	0.3
121.02961	0.7
128.82875	0.3
157.36139	0.3
178.69078	0.3
194.92821	0.8
205.15994	0.6
224.25659	0.3
233.22754	0.5
259.20789	0.7
277.18332	4.5
277.21735	100.0
278.22083	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.17186	0.5
59.01387	0.7
68.82502	0.5
69.02164	0.5
69.38085	2.7
81.13641	0.5
97.55557	0.5
97.95741	0.6
115.53455	0.5
160.35750	0.5
277.21756	100.0
278.22107	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	277.2175
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01388	5.4
61.98827	1.0
71.28062	0.5
77.76820	0.4
78.95907	0.6
83.05042	0.7
95.44202	0.5
118.94214	1.1
121.02973	1.8
133.22430	0.4
152.91811	1.4
170.99156	0.4
194.41277	0.4
194.92813	1.9
195.52037	0.4
205.16031	0.6
209.04625	0.7
233.22885	0.6
253.37485	0.4
259.20789	0.9
276.84619	0.7
277.18332	4.2
277.21735	100.0
278.22125	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	277.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	0.3
59.01387	5.2
61.43122	0.2
61.98832	0.4
71.01376	0.6
82.51296	0.2
83.05034	0.7
85.22237	0.3
98.21776	0.5
118.94223	0.3
121.02957	0.4
134.89481	0.6
140.73586	0.2
150.70340	0.2
151.54881	0.2
152.91740	0.2
203.17928	0.3
205.15967	0.6
205.19545	0.5
218.86700	0.3
233.22780	1.6
241.79425	0.4
259.20639	1.2
275.20105	0.4
277.18356	3.8
277.21732	100.0
278.18915	0.3
278.22073	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	278.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09268	0.3
65.99863	0.5
69.85616	0.4
69.85935	0.8
76.67554	0.3
98.22633	0.4
125.50704	0.3
127.71136	0.3
134.89461	1.3
194.06136	1.8
206.06120	0.9
221.04828	1.9
222.05595	5.0
234.05611	1.0
235.04085	0.4
246.08826	0.3
249.04288	2.9
250.05092	37.4
251.05487	1.9
277.03836	0.4
278.04587	100.0
279.04895	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	278.0461
Annotation	Kalbretorine
Peak:m/z	Relative Intensity
60.04148	0.3
61.70413	0.3
61.98841	0.4
70.86867	0.7
76.18606	0.4
79.71146	0.3
134.89490	1.2
147.17801	0.3
148.04074	1.1
167.27309	0.3
167.65482	0.3
194.06148	1.5
207.04556	0.6
211.04048	0.4
221.04883	1.0
221.20816	0.4
222.05595	3.1
234.05661	0.9
235.03952	0.7
241.79466	0.7
249.04321	2.5
250.05109	10.9
251.05518	0.5
259.91306	0.3
266.12482	0.3
277.03821	1.1
278.04596	100.0
279.04922	6.8
279.07507	0.3
279.23160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0461
Annotation	Kalbretorine
Peak:m/z	Relative Intensity
60.54867	0.5
61.98839	1.0
69.47939	2.1
115.43859	0.7
134.23135	0.6
134.63696	0.6
194.06128	0.9
194.63918	0.6
195.04535	2.9
205.05324	2.0
206.06117	1.5
222.05618	2.3
223.03973	2.3
233.04782	1.8
234.05586	7.2
235.05971	2.3
241.79332	0.7
249.04257	2.2
250.05064	6.6
251.05556	1.8
277.03665	1.3
278.04562	100.0
279.04886	5.0
279.23242	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08867	0.9
57.89035	0.9
59.01383	0.9
63.78935	0.8
65.01448	0.9
71.01392	24.1
73.02948	1.2
82.44265	1.0
83.01414	1.2
97.02983	2.8
107.05016	3.1
112.68283	0.9
113.11518	1.0
115.00377	14.1
119.05042	72.7
120.05413	1.2
121.06604	3.3
130.04295	1.4
131.05038	3.6
133.01448	18.3
133.06601	1.5
141.07092	2.5
143.05043	2.3
146.03841	1.2
149.02470	2.8
149.06093	2.8
149.65601	1.0
157.06613	6.4
159.04504	1.1
159.08171	15.6
159.95389	1.0
160.05298	3.1
161.06094	3.7
163.04033	100.0
164.04355	3.6
164.07185	0.9
175.07639	2.6
185.06108	6.4
188.04776	2.0
203.07161	27.5
217.08704	2.0
235.09837	1.4
258.98816	1.2
279.08481	2.2
279.23364	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	279.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.4
59.71554	1.5
61.33568	1.3
69.19359	3.0
69.19764	8.5
71.01082	1.5
71.01387	16.7
72.99326	2.9
73.02954	1.4
79.01137	1.4
83.01440	1.6
87.00880	2.5
89.02431	2.4
93.02784	1.7
97.02943	3.4
105.22318	1.5
107.05011	6.1
109.02981	1.5
115.00384	37.8
119.05038	43.7
121.02982	2.5
121.06591	5.7
123.04491	1.8
131.05026	7.2
133.01445	100.0
133.06589	3.7
134.01782	2.4
141.07133	6.4
143.05038	4.4
144.05766	1.5
146.03769	2.0
147.04538	17.9
148.47348	1.5
149.02458	2.9
157.06598	6.7
159.04558	3.6
159.08151	23.2
160.05287	4.6
161.06071	7.3
163.04013	35.0
175.07681	4.8
185.06062	8.5
188.04828	2.7
203.07147	44.2
217.08762	2.7
235.09773	5.1
236.07114	2.0
244.06168	2.3
279.05206	1.8
279.07932	4.8
279.20245	3.5
279.23312	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63488	1.3
58.37121	1.4
59.01376	4.0
69.42775	5.2
71.01395	23.6
72.99306	3.3
85.02950	1.5
89.02444	2.0
97.45729	1.4
97.85052	1.6
101.02432	2.0
109.01685	1.7
113.92915	1.6
115.00393	43.5
119.05038	41.6
133.01445	100.0
147.04556	5.2
157.06570	3.0
158.79391	1.6
159.08160	6.4
161.06070	1.7
163.04018	37.2
164.07213	1.3
185.06104	2.1
190.20850	2.0
203.07182	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	279.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.6
59.20600	1.2
69.03445	1.1
70.65088	2.2
71.01387	12.0
73.02945	4.4
83.01405	5.1
86.83362	1.3
93.03453	1.7
95.01453	2.1
97.02959	7.9
107.05047	12.5
115.00384	16.4
117.07161	1.8
119.05039	22.8
119.05828	2.1
121.02941	1.7
121.06609	14.0
123.04548	2.5
129.07152	3.1
130.04301	2.0
131.05038	12.1
133.01448	35.0
133.06662	7.6
134.01805	1.3
134.03719	1.7
141.07150	10.3
143.05017	7.1
144.05855	1.5
146.03751	4.6
147.04543	10.5
147.08174	1.6
147.44647	1.4
148.05336	3.5
149.02477	8.9
149.06079	5.7
157.06616	19.6
159.04570	4.6
159.08170	54.9
160.05328	12.0
160.08495	2.2
161.06087	11.6
163.04031	24.6
164.04419	1.6
165.05702	1.3
167.05290	1.7
175.07619	8.3
185.06123	15.3
188.04848	6.4
201.05652	1.8
203.07153	100.0
204.07513	4.7
211.83453	1.6
217.08688	7.0
235.09819	8.9
275.57455	1.2
279.08588	2.4
279.23187	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	279.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.3
60.21523	1.5
62.34930	1.5
68.12592	1.5
69.03450	2.1
69.56860	5.7
79.05559	2.1
80.96539	1.7
93.03466	2.1
96.37348	1.5
96.96043	2.4
97.02936	2.1
97.88821	1.5
105.07121	6.0
107.05013	9.5
109.02995	3.8
115.05559	4.9
115.92046	1.7
117.07129	9.8
119.05026	3.4
121.02995	4.1
123.04552	3.6
130.04259	1.9
131.05043	35.6
131.08714	3.3
133.02980	42.6
133.06601	4.5
135.04575	4.9
135.08163	3.7
139.05489	1.7
141.07121	65.6
142.07420	2.2
143.05028	15.3
144.05820	6.4
147.04562	3.7
149.02472	4.5
151.04027	13.1
157.06589	11.2
159.04523	4.4
159.08174	63.2
161.06114	9.3
173.09668	3.8
174.03343	1.9
175.04066	3.8
175.07605	2.1
176.08498	2.3
179.03555	5.7
191.10809	22.6
196.84142	1.6
203.07170	26.1
204.07649	2.1
235.09804	4.9
236.35924	2.2
247.06169	10.9
279.08786	100.0
279.23364	4.6
280.09119	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	279.0877
Annotation	Euparvic acid
Peak:m/z	Relative Intensity
59.01392	12.3
60.21523	1.5
62.34930	1.5
68.12592	1.5
69.03450	2.1
69.56860	5.7
79.05559	2.1
80.96539	1.7
93.03466	2.1
96.37348	1.5
96.96043	2.4
97.02936	2.1
97.88821	1.5
105.07121	6.0
107.05013	9.5
109.02995	3.8
115.05559	4.9
115.92046	1.7
117.07129	9.8
119.05026	3.4
121.02995	4.1
123.04552	3.6
130.04259	1.9
131.05043	35.6
131.08714	3.3
133.02980	42.6
133.06601	4.5
135.04575	4.9
135.08163	3.7
139.05489	1.7
141.07121	65.6
142.07420	2.2
143.05028	15.3
144.05820	6.4
147.04562	3.7
149.02472	4.5
151.04027	13.1
157.06589	11.2
159.04523	4.4
159.08174	63.2
161.06114	9.3
173.09668	3.8
174.03343	1.9
175.04066	3.8
175.07605	2.1
176.08498	2.3
179.03555	5.7
191.10809	22.6
196.84142	1.6
203.07170	26.1
204.07649	2.1
235.09804	4.9
236.35924	2.2
247.06169	10.9
279.08786	100.0
279.23364	4.6
280.09119	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	279.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23700	0.7
54.57581	0.8
55.01875	1.0
56.29758	0.7
57.03434	1.3
59.01384	100.0
60.01682	0.7
71.01387	45.9
71.05026	2.5
72.99297	2.2
73.02943	2.5
76.78047	0.8
80.96519	1.2
83.01382	1.8
85.02970	8.2
87.00874	1.5
89.02451	61.5
90.02790	0.9
95.01398	3.6
96.95969	0.8
97.93527	0.7
98.42041	0.7
99.00850	1.4
99.04517	1.7
100.93350	1.0
101.01803	1.7
101.02449	31.3
113.01714	1.4
113.02464	19.1
115.92033	0.8
117.05592	13.4
117.87563	0.8
119.03516	25.2
119.04941	1.5
121.02937	1.8
125.02477	1.1
131.03514	1.8
143.03496	2.4
145.06233	1.0
149.04547	1.9
161.04567	2.1
179.05626	2.5
279.02139	0.9
279.05630	1.4
279.10910	24.2
279.13660	1.8
279.23306	3.7
303.89633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1089
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
53.37657	0.9
55.69990	0.7
57.03444	1.4
58.00590	1.5
59.01385	100.0
69.17514	0.8
71.01387	46.6
71.05020	2.3
72.99318	1.5
73.02940	1.9
80.96522	0.9
83.01389	1.4
85.02958	10.3
85.34509	0.8
87.00891	1.8
89.02455	57.0
90.02859	0.9
95.01402	2.7
99.04522	2.2
101.02444	27.6
113.02451	17.6
115.04092	0.8
117.05578	8.9
119.03516	27.9
119.04943	1.1
121.02923	0.9
123.80463	0.9
131.03548	1.4
143.03539	2.7
149.04584	1.3
151.40555	0.8
158.37671	0.9
161.04655	1.1
179.05637	2.8
279.05267	1.9
279.10876	29.4
279.13580	1.2
279.23187	1.4
280.11325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
50.14389	1.2
51.32557	1.2
55.01871	1.3
57.03453	10.1
59.01379	3.5
59.68134	1.2
60.64507	1.2
65.91511	1.1
69.03461	3.7
69.34120	2.8
69.34520	4.2
71.05022	2.4
79.05535	1.2
81.03468	2.7
83.05025	5.8
95.05031	2.2
96.96008	1.7
97.02968	7.0
97.06572	2.5
98.21900	2.5
99.04523	5.2
102.05634	1.8
106.28348	1.2
107.05035	2.6
109.02905	1.9
109.06593	2.2
111.04527	5.1
121.02923	2.0
121.06597	5.5
121.31633	1.2
123.04531	1.4
123.08159	5.3
125.06104	9.5
127.05149	1.5
128.03545	2.8
133.06581	1.7
135.04561	2.2
135.08226	1.6
136.05315	17.6
137.05983	1.3
137.09729	3.9
139.07684	7.9
147.04512	1.9
147.08104	2.8
147.11803	3.2
149.02399	2.5
151.07661	100.0
151.11296	8.1
152.07964	3.5
156.09474	2.9
158.07378	4.0
159.08127	2.4
160.08853	1.6
161.06079	2.1
161.09669	2.6
164.04793	2.6
165.05661	1.4
165.09270	1.5
167.07118	3.6
168.07925	24.3
169.08766	7.7
169.10033	1.8
171.08154	5.1
171.11827	5.9
173.09715	7.3
175.11278	4.5
177.09196	1.9
179.07159	6.5
179.10820	2.2
184.08940	19.0
187.07582	1.5
187.11298	11.8
189.09222	2.4
189.12854	13.5
191.10757	3.9
199.11255	13.8
201.09271	6.6
202.09993	4.8
205.12347	34.1
206.12697	2.5
212.54857	1.3
215.10768	6.4
217.10263	2.7
217.12347	52.2
218.12587	2.0
235.13327	7.2
239.12607	1.5
261.11359	2.7
279.09259	2.6
279.12408	21.9
279.15698	2.0
279.23312	77.7
280.23669	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	279.1241
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
57.03450	6.8
57.30870	0.8
59.34567	0.7
69.80269	1.5
69.80625	1.7
70.02978	1.3
70.83035	0.9
71.01378	2.6
71.05027	3.6
83.05034	32.6
84.58962	0.8
85.06598	14.4
86.51503	0.8
87.05630	0.8
92.62389	0.8
93.03472	1.3
95.09425	0.8
99.04510	1.1
113.06084	2.8
115.03983	2.0
119.05003	1.3
123.08169	1.0
127.04038	3.7
132.02933	1.6
133.06589	2.7
134.07399	2.0
135.08176	11.6
136.05392	0.9
138.06879	1.8
144.05850	1.5
145.06631	1.0
146.03758	1.1
146.08235	12.2
147.04596	1.1
147.08437	1.3
148.08720	1.8
148.78990	0.7
153.09190	3.6
159.04561	1.4
159.08156	3.0
160.08899	4.8
161.06088	2.3
163.04010	2.1
172.01765	0.9
173.06149	3.8
173.09740	5.6
174.06757	1.0
174.10426	1.9
175.11293	29.2
176.11668	1.1
183.08211	1.0
187.07654	6.4
187.11281	1.3
189.12863	3.8
191.07272	1.1
199.11293	2.6
201.09229	9.8
202.10007	100.0
203.10349	2.9
206.02151	0.9
217.12335	61.1
218.12624	2.6
230.17062	0.8
235.06190	1.7
278.38037	0.9
279.09296	1.7
279.12363	49.4
279.23550	1.4
280.12759	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	279.124
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03455	12.1
59.01387	1.2
59.44651	0.7
69.03461	1.7
69.13080	0.7
70.07700	2.0
71.80081	0.6
77.75247	0.6
83.05029	3.0
85.06622	0.7
87.00886	0.7
89.28436	0.7
89.46431	0.6
90.98607	0.7
93.03510	0.8
93.07117	1.0
94.04271	0.6
95.05049	4.1
96.95990	0.7
97.02971	6.3
97.06596	1.6
99.04491	0.8
99.75463	0.8
107.05045	1.5
109.02953	6.2
109.06599	7.8
111.04523	4.3
119.04999	0.7
119.08691	3.1
121.06610	5.2
122.03748	15.8
123.04516	2.3
123.08160	1.1
124.05319	20.9
125.06113	3.7
127.05138	1.5
135.04468	0.8
136.05330	1.1
137.06105	10.6
137.09760	0.8
139.07661	100.0
140.07967	2.5
145.10257	1.3
147.04631	0.7
147.08252	4.4
148.05359	1.7
159.08141	1.2
162.06952	0.7
163.07698	3.6
163.11322	1.7
168.07935	21.8
168.94499	0.6
169.08643	2.0
170.96870	0.7
171.08160	3.6
172.08907	1.2
175.07576	0.7
175.11269	1.7
177.09317	0.7
177.12901	1.9
185.09772	1.8
187.11298	18.7
188.11641	1.4
189.09250	1.4
190.10080	4.8
205.12346	34.5
206.12683	1.8
217.12393	2.3
231.10219	1.0
235.13382	3.8
249.11217	1.0
264.82339	0.8
279.09149	1.8
279.12424	7.5
279.23306	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1967
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
51.64400	1.7
59.01366	4.2
61.98827	3.5
65.47839	1.9
99.47971	2.2
103.88826	2.0
107.08678	40.4
125.09694	2.4
134.89503	7.6
135.89452	3.3
136.89160	4.5
171.10281	100.0
172.10658	2.8
185.11754	5.0
217.19615	6.4
233.15320	2.5
235.17007	3.1
240.47824	2.5
243.79045	4.6
261.18600	96.0
262.18860	3.4
279.16336	4.4
279.19669	54.2
279.23148	6.3
280.19977	2.9
291.80615	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
56.55987	0.8
59.01380	1.2
61.98830	1.8
70.97569	1.1
76.02318	0.9
76.44772	0.8
96.96004	2.0
97.06598	0.8
134.89464	1.4
136.89140	1.1
138.51245	0.8
161.18132	0.7
174.78105	0.9
241.79539	0.8
243.78882	0.9
246.28975	0.8
279.23328	100.0
280.23730	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	279.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04682	2.2
69.93127	5.8
81.64068	2.0
95.70215	2.1
108.85485	2.2
178.26849	2.1
204.00577	2.3
279.23331	100.0
280.23660	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	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01376	0.4
68.60408	0.3
69.36684	0.7
69.37063	0.8
105.42210	0.3
174.16565	0.4
237.47443	0.3
253.52547	0.3
261.22144	0.5
279.23315	100.0
280.23663	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	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.20580	0.3
59.01364	0.5
61.98814	0.6
66.45384	0.2
69.13099	1.7
96.96010	0.6
98.22646	0.5
121.14777	0.3
134.19591	0.3
134.89467	0.6
149.13509	0.3
149.78175	0.3
178.85832	0.3
182.16165	0.3
221.86629	0.3
231.63475	0.3
249.47552	0.3
261.22327	0.4
279.23306	100.0
280.23663	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	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.50942	0.1
56.96837	0.1
59.01369	0.5
80.24283	0.1
97.06594	0.1
125.05878	0.1
158.48065	0.1
167.46927	0.1
261.22198	0.5
279.23312	100.0
280.23654	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	279.233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28474	1.4
59.01350	2.3
61.98823	3.9
73.67612	1.5
76.00701	1.3
96.96017	3.3
108.31655	1.5
126.27442	1.7
134.89566	2.1
136.89218	1.9
156.51146	1.5
165.11516	1.5
224.14154	1.6
279.16406	3.2
279.23322	100.0
280.23755	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	280.0619
Annotation	Buxifoliadine-F
Peak:m/z	Relative Intensity
51.12015	0.2
71.44600	0.3
90.03476	0.5
93.03441	0.5
117.03456	0.9
118.03001	4.0
120.12859	0.2
121.03000	0.4
123.04591	0.3
131.03757	0.3
133.02971	25.1
134.03375	0.3
146.02493	24.1
147.03282	23.7
148.03761	0.4
159.03268	1.1
160.04047	0.2
165.07135	0.9
194.06111	0.5
196.07661	0.6
205.05330	1.3
206.06129	2.1
208.05608	2.0
208.07413	1.9
209.06091	11.2
210.06345	0.5
223.06342	1.9
224.07184	5.8
231.79948	0.2
233.04814	4.1
233.07034	0.2
234.05618	61.1
235.05954	2.6
236.07187	1.9
251.05820	0.3
252.06680	85.1
253.07036	3.9
278.04593	2.0
279.23328	7.2
280.06171	100.0
280.23645	2.9
281.06494	5.3
281.24835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.0
62.95979	0.5
64.50352	0.5
70.24298	1.1
70.24635	0.6
71.01390	4.9
72.99310	1.1
80.96513	0.8
83.01390	0.8
84.84272	0.5
87.00878	0.6
89.02464	1.8
91.69887	0.6
93.03461	0.6
96.96063	0.6
101.02470	1.6
101.87843	0.5
103.00421	1.5
106.04258	0.5
107.05048	1.7
109.02962	2.0
114.03302	0.5
117.03490	1.5
119.05043	2.8
121.02983	1.4
121.10359	0.5
123.04530	2.4
132.02271	0.7
133.02974	29.8
134.03775	8.8
135.04543	100.0
136.04854	2.9
137.02458	2.5
139.04054	0.9
145.02946	0.9
147.04561	1.9
148.05345	3.8
149.02481	1.2
149.06099	14.9
150.03252	3.5
151.04025	4.8
161.02466	68.0
162.02802	2.0
163.03999	1.1
175.03981	0.8
177.05589	23.7
178.02727	1.9
178.05878	0.6
179.03514	95.4
180.03870	3.0
189.05663	0.9
191.03523	13.6
203.03484	1.1
207.06642	2.0
221.04573	32.1
222.04938	1.6
281.06708	32.2
281.25000	1.1
282.07306	1.3
291.31961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1759
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
57.03459	7.5
59.01382	30.6
69.03474	7.0
71.05032	13.0
82.42773	4.7
83.05021	8.0
92.80103	4.8
94.43814	4.8
95.05019	5.4
96.96072	7.1
99.18134	5.2
109.06586	9.1
116.23817	5.3
119.05068	5.3
121.51257	5.0
123.08195	6.2
149.09769	6.5
149.21811	5.7
151.11320	5.4
167.10794	82.3
193.12346	20.1
195.10252	7.0
200.01193	11.3
201.01544	34.2
201.16542	8.0
202.00917	61.8
211.13452	7.0
219.17511	8.7
263.16537	68.0
281.14468	10.3
281.17603	100.0
281.24829	7.5
282.18213	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	281.1761
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
59.01388	13.2
70.21975	15.1
79.93781	6.1
98.21960	8.9
103.85015	7.2
108.29527	6.6
111.08160	43.2
125.09733	14.3
141.09267	7.3
169.08725	100.0
183.10173	7.7
196.60423	5.6
198.05453	5.8
231.09143	7.3
242.91699	7.5
263.16492	15.4
281.17667	43.5
281.24692	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1761
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.24908	1.7
55.93446	2.0
57.03435	3.7
59.01383	10.7
68.57169	2.0
69.03471	3.3
69.42179	1.7
69.42470	9.3
71.01386	2.9
71.24612	2.0
82.98328	2.0
86.67846	2.4
95.05051	3.6
98.22600	4.9
111.08179	34.9
123.08167	2.9
125.09734	15.2
127.07632	3.6
135.04503	3.6
139.11301	4.0
141.09212	3.8
151.07681	3.6
153.09174	6.1
155.10710	2.7
169.08714	100.0
170.09015	4.6
171.10272	7.0
179.03508	3.8
183.10303	18.2
199.09724	3.9
201.16383	3.1
219.17633	2.0
235.17021	13.1
237.14995	3.5
263.16519	18.7
273.43509	2.2
281.17554	31.9
281.24988	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2489
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
58.53768	2.0
59.11337	2.1
66.49189	1.9
70.34760	5.0
273.14737	2.4
281.24896	100.0
282.25266	6.0
290.35458	2.1
294.32599	2.4
297.15811	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	282.0847
Annotation	Guanosine
Peak:m/z	Relative Intensity
57.15727	0.2
57.34465	0.2
59.01383	1.7
60.01709	0.2
66.00988	0.8
69.09162	1.3
71.01384	0.7
72.01717	0.2
73.02936	0.3
78.00970	0.2
82.04110	1.1
85.02966	0.2
89.02464	0.4
101.02428	0.6
101.24574	0.2
102.02796	0.3
107.03640	4.6
108.02049	10.1
110.61074	0.2
126.03099	4.2
133.01575	32.0
134.01968	0.4
150.04224	100.0
151.02667	0.2
151.04707	1.4
161.04521	0.2
164.05794	0.2
194.21660	0.2
241.00404	0.2
268.03842	0.7
282.08453	27.1
283.08789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95728	1.0
59.01384	100.0
60.87548	1.0
61.98835	35.4
96.38861	0.9
98.99403	1.3
99.98923	2.0
105.89240	1.1
110.00109	4.4
110.92617	2.1
112.92342	7.7
113.92461	1.0
117.00459	2.2
137.94524	1.1
138.92096	1.8
138.94618	2.8
138.96556	1.8
139.05527	1.1
139.94241	17.9
140.91827	12.6
140.94283	5.3
141.00456	2.9
141.93968	3.6
141.99989	33.4
152.93657	1.8
154.93396	7.1
157.03546	7.0
159.01489	3.5
163.00417	8.1
165.99109	3.1
180.95776	1.4
181.95253	7.9
182.95395	4.2
184.01047	12.2
184.05292	1.7
196.05254	1.2
198.03264	1.4
201.02570	92.4
202.02721	5.1
229.27309	1.2
234.23714	1.0
239.03622	2.1
240.04150	0.9
240.19621	0.9
241.00630	1.9
264.92596	1.2
267.02765	1.6
268.03793	65.5
269.04224	1.3
282.25162	2.4
282.95551	7.7
283.01587	1.7
283.06152	21.2
283.26465	40.2
283.95364	2.2
284.01178	11.5
284.06354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83414	1.6
54.97730	1.2
57.56799	1.4
58.99602	3.0
59.01389	17.1
59.70392	1.6
70.94308	1.8
71.01361	3.1
87.00871	1.5
90.69205	1.5
92.57412	1.4
95.01394	1.8
101.02412	2.4
102.98612	11.8
110.00098	6.9
117.93388	1.5
119.01356	2.0
121.02944	2.0
123.00921	2.5
137.99535	2.2
138.03244	1.7
151.03998	3.2
157.06592	1.6
159.08208	1.9
163.00409	17.0
165.99088	4.4
171.04523	1.9
184.05284	4.3
195.60831	1.5
196.05180	1.7
198.03288	4.2
201.02579	5.7
211.04005	2.3
224.04776	2.2
239.03441	3.2
267.02988	2.4
268.03793	100.0
269.04129	4.5
282.25330	2.3
283.06168	27.3
283.26450	65.3
284.06366	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	283.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49275	0.5
55.01887	0.7
57.03446	0.5
58.99611	21.4
59.01390	9.9
59.88161	0.5
67.54357	0.6
71.01390	11.4
73.02961	2.7
83.01382	1.3
85.02979	3.8
87.00895	12.5
89.02463	3.9
95.01395	0.7
96.96027	1.4
99.00896	1.5
101.02451	5.8
102.98611	100.0
111.77421	0.6
113.02479	4.5
117.01643	0.5
119.03516	1.6
120.34857	0.5
143.03532	0.5
161.04582	5.8
163.00409	1.7
174.91472	0.6
194.49020	0.7
205.07274	0.7
249.06221	5.0
268.03775	8.3
283.04910	14.9
283.26440	4.5
302.59952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03457	2.7
58.32712	1.3
58.99598	2.3
59.01384	100.0
63.27826	1.6
69.51808	5.4
71.01389	41.7
72.99304	3.8
73.02959	7.7
83.01394	5.6
85.02962	14.0
87.00880	5.9
87.99743	1.4
89.02451	41.0
95.01401	3.6
97.54636	1.4
98.21938	3.1
99.00909	3.0
101.02453	35.1
102.98602	5.5
110.00119	3.1
113.02457	14.5
119.03515	17.9
121.05083	20.1
125.02420	1.5
128.96826	2.7
129.01958	2.1
131.03555	2.5
137.99551	1.6
141.00394	1.8
143.03529	2.2
149.04539	1.9
149.78322	1.5
151.02980	1.4
151.04012	7.7
155.01974	2.3
157.03563	2.0
161.04581	16.7
163.00403	7.0
165.99059	3.1
179.05661	8.5
198.03326	2.3
223.08199	9.3
227.65128	1.6
239.03682	2.7
257.83163	1.6
268.03809	51.6
269.04095	2.2
283.06125	15.7
283.10370	29.0
283.26486	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	283.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05230	1.6
59.01370	7.4
60.54626	1.6
61.98819	1.7
64.43770	1.6
67.05302	1.6
70.25923	3.3
110.00105	4.4
128.81567	1.7
152.91771	3.0
163.00365	9.5
172.04068	2.7
175.02274	1.9
179.09940	1.6
185.08493	1.7
186.01955	4.0
187.14095	1.4
197.90327	6.8
198.05600	38.5
200.94533	2.6
201.02522	2.2
212.07196	6.4
213.03131	8.4
213.07994	21.4
228.10274	3.8
231.08929	3.8
241.07494	26.8
246.11353	29.5
255.03043	3.7
256.09805	100.0
257.10217	5.5
265.18140	3.3
268.03796	49.6
268.08414	23.0
269.04184	3.3
283.03055	2.3
283.06213	15.4
283.10916	58.9
283.19315	5.7
283.26407	18.8
284.11285	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	283.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.7
67.94348	1.1
84.69813	1.1
98.22668	3.2
110.00069	3.2
145.95088	1.3
163.00356	5.1
165.99104	2.0
173.04890	1.6
174.05611	1.4
182.06157	1.3
184.05396	1.5
196.07704	1.9
197.04829	7.6
198.01949	26.2
198.05621	31.4
199.05972	1.4
200.03537	3.8
201.02399	1.2
210.05669	3.7
211.06436	2.6
212.03708	1.5
212.07198	17.3
213.02907	6.6
213.04413	9.5
213.07957	77.9
214.08315	3.7
224.07205	4.8
225.03023	7.1
225.07910	5.8
226.05118	37.2
226.08568	7.4
228.10316	45.9
229.10701	1.7
230.04448	1.3
240.06679	14.4
241.07462	65.4
242.07777	2.5
245.06940	1.4
253.60818	1.3
256.09811	100.0
257.10147	4.7
268.03860	32.3
268.08514	45.3
269.04330	1.3
269.08865	1.2
276.21722	1.3
283.06253	9.6
283.10901	55.3
283.19254	4.1
283.26431	10.0
284.11340	1.4
288.81802	1.2
300.04547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02826	0.7
59.01394	5.7
63.02416	1.3
63.70931	0.7
69.14530	2.7
69.14936	2.0
71.05028	23.5
92.53281	0.7
97.02965	6.9
110.00097	1.6
115.04024	100.0
116.04358	1.3
138.35785	0.8
139.05479	1.0
151.00340	0.8
163.00380	5.2
165.99147	1.9
167.10802	2.6
171.04588	1.0
185.11842	7.4
195.13945	1.2
198.03317	1.0
203.01318	1.8
211.03981	1.1
239.03485	1.6
255.02994	16.9
256.03510	1.1
268.03793	32.8
269.04190	3.0
273.60172	1.0
283.02567	4.9
283.06152	10.1
283.19205	6.4
283.26465	13.5
284.03183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.42878	0.2
59.01396	0.5
66.08297	0.2
78.86758	0.3
89.61330	0.3
98.22631	0.5
106.04230	0.5
107.05038	100.0
108.05373	2.0
110.00121	0.3
123.04514	0.4
147.08159	0.4
163.00374	0.4
163.11299	94.1
164.11627	3.2
268.03793	1.8
283.06281	0.9
283.17044	84.9
284.17395	5.1
302.49393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0401
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.77900	0.2
59.01388	1.2
63.02401	1.5
65.00336	0.8
67.01894	0.4
69.38322	1.1
79.01912	0.4
81.36848	0.2
83.01414	0.8
87.00883	0.2
91.01891	0.8
93.03466	4.3
95.01392	0.5
101.89650	0.3
105.41077	0.2
107.01403	3.3
108.02175	0.8
109.02963	1.5
117.03477	2.1
119.01385	0.4
121.02953	0.4
123.00931	0.4
130.04321	0.3
131.05046	0.9
133.02979	0.5
135.00883	1.9
135.04518	0.2
136.01671	0.5
137.02455	0.7
141.07083	0.4
143.05051	3.0
145.02971	1.3
145.06612	0.6
147.00923	0.4
151.00409	1.6
153.01952	0.4
154.04286	0.8
154.53798	0.2
155.05019	0.8
156.05809	0.6
157.06622	2.0
158.03746	0.6
159.04549	4.0
161.02443	0.4
161.06131	0.5
163.00414	2.7
164.01109	0.6
165.01920	1.0
167.05049	1.5
168.05775	0.5
169.01340	0.3
169.06619	1.7
170.03798	0.4
171.04541	1.8
173.02466	0.8
173.06081	0.8
174.03212	0.3
182.03748	0.5
183.04576	1.3
184.05252	0.8
185.06091	5.1
187.04022	6.3
188.04500	0.3
189.05548	2.1
190.02667	0.4
190.99820	0.2
191.88930	0.2
192.00627	0.5
195.04523	1.5
196.05280	0.4
197.06073	1.4
198.03221	0.4
199.03996	1.1
201.05565	1.3
205.05066	0.3
211.04045	3.2
212.04703	0.8
213.02025	0.2
213.05576	3.1
214.02728	0.8
215.03497	0.8
223.04085	0.4
226.02719	0.3
227.03517	4.0
228.03902	0.8
229.05080	15.5
230.05380	0.6
239.03508	2.6
240.04350	1.4
241.05084	2.4
243.02957	0.8
255.02870	1.1
256.03574	2.5
257.04575	7.9
258.04956	0.4
267.03043	1.5
268.03769	0.5
285.04065	100.0
285.17123	1.0
286.04407	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	285.041
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01387	1.6
63.02398	0.8
65.00325	2.6
69.57432	0.7
69.57779	1.0
71.01385	0.6
71.05038	0.4
73.02950	0.8
76.44634	0.3
83.01395	1.7
95.42216	0.4
97.23589	0.3
105.03468	1.0
107.01393	4.8
121.02962	0.9
123.74541	0.4
133.02971	26.4
147.04514	0.5
149.02441	4.2
151.00386	8.2
152.00813	0.3
159.59364	0.4
169.06546	0.5
171.04521	0.9
175.04012	4.9
181.12460	0.4
183.13860	0.5
185.06117	0.5
189.05640	0.4
197.06055	0.8
198.03215	0.8
199.03981	3.7
201.01933	1.1
211.04033	0.4
212.70757	0.4
213.05649	0.8
214.02713	0.4
215.03496	0.6
217.05132	2.1
223.03970	0.5
226.02806	0.5
241.05095	1.1
243.03011	1.1
252.16252	0.4
257.04498	1.2
285.04071	100.0
285.17075	2.0
285.20352	0.8
286.04395	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	285.0409
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.71336	0.3
59.01382	0.6
61.98789	0.3
63.02393	1.1
65.00336	0.7
67.01882	0.2
74.02494	0.4
79.01879	0.3
83.01394	1.1
91.01888	0.3
93.03464	3.2
94.91092	0.2
95.01386	0.7
107.01417	1.5
108.02197	0.4
109.02957	1.0
117.03491	1.1
119.01414	0.3
123.00893	0.3
123.04543	0.7
131.04996	0.4
133.02974	0.7
133.88101	0.2
135.00877	0.6
136.01678	0.5
137.02472	0.9
143.05042	1.5
145.02972	1.1
151.00392	1.8
154.04245	0.9
155.05045	0.6
156.05818	0.4
157.03011	0.5
157.06584	0.6
158.03796	0.3
159.04546	1.8
161.02441	0.8
161.04755	0.2
163.00389	1.0
164.01146	0.6
165.01953	0.5
167.05020	0.8
168.05786	0.4
169.01407	0.3
169.06635	1.4
171.04532	1.2
173.02425	0.6
173.06050	0.5
181.10619	0.3
183.04579	0.6
184.05214	0.3
185.06102	2.3
187.04007	2.3
189.05592	0.3
195.04506	0.3
199.04002	0.6
201.05640	0.7
202.98683	0.3
211.03973	1.4
212.04768	0.4
213.05521	1.2
214.02742	0.7
215.03580	0.7
217.05133	0.4
224.33633	0.3
227.03531	0.9
229.05052	1.7
239.03513	1.7
240.04178	0.7
241.05066	0.5
243.03090	0.6
255.02866	0.4
257.04544	1.2
261.82202	0.3
267.02899	0.4
270.04630	0.3
284.26749	0.4
285.04077	100.0
285.20676	2.9
286.04422	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	285.0619
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
59.01424	0.6
71.01385	0.5
78.77154	0.4
81.03468	0.7
93.03490	0.9
96.96964	0.8
104.91476	0.4
108.02188	100.0
109.03006	13.0
121.02964	0.8
123.04510	1.8
133.02975	0.6
135.00874	1.0
137.02452	0.8
138.13428	0.5
148.04076	0.4
151.04037	1.4
152.01178	60.6
153.01965	30.3
154.02370	0.5
163.04012	0.7
165.01961	1.1
261.53189	0.5
270.04489	0.4
285.06201	63.1
286.06570	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	285.083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14358	18.3
71.07877	24.1
72.99310	22.4
88.76523	25.0
96.09984	20.8
105.01935	100.0
128.95967	56.1
186.96519	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
59.01404	6.0
67.23589	1.0
69.49380	5.2
71.01404	2.2
72.00908	10.4
74.02477	18.1
75.00844	2.1
93.03466	35.3
98.22572	2.3
99.00883	1.6
108.02172	1.9
109.02940	3.0
110.00072	1.4
116.05074	51.1
116.07199	1.3
117.05408	2.4
123.04546	7.2
129.01985	1.2
129.05878	2.6
130.06644	13.8
136.76836	1.3
137.02457	78.2
138.02838	2.9
142.06628	16.6
147.03062	2.1
148.04103	2.0
151.04013	2.1
153.01947	3.4
157.07689	1.8
159.09282	12.4
165.04080	4.9
186.05611	1.5
203.08289	100.0
204.08607	4.2
225.06476	57.8
226.06776	2.9
242.27550	1.2
284.26749	4.2
285.06232	4.2
285.08917	2.8
286.07034	1.4
286.17584	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	285.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	40.2
59.31797	1.7
59.53651	1.8
62.02758	1.6
80.15298	2.1
84.99352	2.0
87.00886	36.8
103.00383	17.9
112.98827	31.8
130.99913	4.3
153.09221	100.0
178.68916	1.6
202.99013	2.0
284.26666	4.6
285.04144	29.6
285.09912	4.1
285.17395	2.0
285.20792	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	285.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	39.4
69.27023	4.1
72.99303	1.8
73.02944	0.8
77.33745	0.7
84.99313	2.3
87.00352	1.6
87.00884	30.3
98.21841	1.3
99.04485	1.0
103.00388	14.5
108.02174	1.0
112.98819	32.3
113.02382	0.9
116.31293	0.8
125.29906	0.7
130.99829	4.1
135.97844	0.7
138.06696	0.7
149.00902	0.7
153.09225	100.0
154.09578	2.6
155.10820	1.1
183.01149	1.4
198.92363	0.8
256.69232	0.7
284.26871	1.0
284.94455	1.3
285.04123	10.4
285.09763	3.2
285.12610	1.0
285.16974	3.7
285.20282	0.7
286.04187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71288	0.5
59.01383	100.0
69.24170	2.9
71.05027	1.2
73.02964	0.8
85.02984	0.7
99.04533	0.9
115.92126	0.5
116.92896	1.0
124.21179	0.6
139.11301	1.0
155.10846	0.6
165.12851	5.8
181.12355	84.7
182.12630	3.3
183.10225	0.6
211.13425	0.8
225.11322	10.5
225.14807	0.6
229.05060	1.5
241.18143	1.6
243.12384	2.5
257.04391	0.7
285.04071	9.3
285.07034	1.1
285.13293	2.2
285.17068	7.4
285.20279	0.9
286.04514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2074
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03454	0.7
59.01382	0.9
60.99307	0.4
69.03460	0.8
69.77752	1.0
69.91562	0.3
83.05041	0.3
84.02158	0.3
92.92804	0.6
93.03457	0.3
95.05039	3.5
97.06599	17.0
99.08170	3.1
109.06620	1.6
111.04549	0.5
113.06039	0.3
115.07656	1.4
125.06077	2.7
127.07659	1.3
139.11234	0.7
141.12868	6.6
143.07155	8.2
155.14439	1.6
164.65747	0.3
169.12350	10.8
169.15993	0.6
170.12685	0.4
171.13945	0.4
187.13397	0.6
202.98747	0.6
210.62553	0.3
211.20670	1.3
221.19119	3.4
223.20677	2.2
231.17564	1.4
239.20181	0.6
241.21771	0.6
249.18616	7.3
250.18871	0.4
255.19624	0.6
267.19650	9.9
268.19928	0.5
271.08853	0.2
283.19205	1.0
285.04059	0.8
285.20734	100.0
286.21069	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	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
59.01383	0.6
69.76590	0.7
70.13887	0.3
78.95911	0.5
83.05025	0.6
97.06620	0.3
97.09937	0.3
97.66381	0.3
111.06010	0.3
111.08144	0.5
113.09728	1.2
123.08108	0.3
125.09732	0.3
126.39286	0.3
127.11330	1.9
135.70163	0.3
141.12857	0.5
155.10806	0.5
171.10315	1.2
187.95757	0.3
197.11722	0.3
239.20236	1.4
241.21710	0.4
267.19635	4.6
268.20078	0.4
283.19171	1.0
285.20715	100.0
286.21094	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	285.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37531	1.4
57.03446	1.8
58.54380	1.5
59.01391	4.0
61.98844	3.4
62.61768	1.6
69.31567	7.6
73.82018	1.5
92.92807	5.6
105.14021	1.5
121.02994	2.2
141.16507	1.7
152.91742	2.0
163.25455	2.0
174.99213	3.4
179.16621	1.7
199.02515	1.7
202.98746	6.1
217.00279	2.5
223.20688	64.6
224.21036	3.7
241.21815	2.0
247.37175	1.6
267.19666	29.3
268.19833	2.1
282.05923	1.7
285.04007	5.0
285.20743	100.0
286.21097	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99009	1.2
59.01374	2.1
64.10976	1.3
73.65639	1.3
78.95891	2.0
125.09740	1.6
141.09206	1.5
146.45345	1.3
202.98705	3.6
224.34023	1.2
267.19675	4.8
285.03992	2.6
285.20728	100.0
286.21075	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	286.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68058	0.8
59.01384	1.2
67.01897	2.6
68.99847	1.4
70.36691	1.8
70.37023	1.6
71.01422	1.8
83.01413	6.2
87.34516	0.9
95.01416	7.1
108.02190	68.9
108.04567	2.2
109.03041	6.4
111.00898	28.0
123.00920	11.9
123.59438	0.9
124.01684	23.9
130.08755	6.5
131.09082	2.4
132.04550	5.4
135.04570	1.4
139.00377	6.5
150.05658	4.9
152.01172	100.0
152.20164	0.9
153.02016	6.1
153.07240	1.1
173.06105	2.3
173.78227	1.0
189.05644	1.3
197.06102	5.1
199.18245	3.7
200.18521	2.8
201.82693	1.1
215.07124	22.3
224.07141	3.8
234.51308	0.9
242.05803	1.6
242.08264	26.2
243.08693	1.8
259.06158	2.7
267.32635	1.1
268.06232	2.2
285.18204	3.7
286.04477	2.0
286.07254	41.2
286.18555	4.2
287.07733	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	286.2392
Annotation	Prosopinine
Peak:m/z	Relative Intensity
61.98829	0.7
70.02964	0.8
72.04617	0.3
74.06127	2.1
76.33846	0.3
105.32013	0.3
118.05108	1.1
124.18323	0.4
145.55876	0.4
169.42480	0.3
240.23337	3.1
242.21251	1.8
242.24910	0.5
268.22821	1.1
284.22513	0.4
286.23895	100.0
287.21552	0.4
287.24319	6.5
303.91006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
58.23463	0.9
59.01380	3.1
63.05360	0.8
65.10271	0.8
67.57332	0.8
69.45136	0.8
79.05549	4.3
81.03450	1.1
98.21886	1.9
103.05563	0.8
103.61439	0.9
107.05032	9.7
128.06302	1.1
130.04257	1.3
137.02455	0.9
143.08606	1.1
152.63281	1.2
155.08710	6.8
156.05772	2.2
159.08131	0.9
170.07329	1.2
171.08153	9.4
181.06609	2.7
197.06053	1.1
199.07684	12.1
215.07137	4.6
225.05661	1.1
243.06624	100.0
244.06952	5.2
272.03210	1.1
287.02109	4.3
287.05591	38.0
287.18771	1.0
288.05792	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	287.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05275	2.0
57.03441	7.7
65.00309	2.0
65.03941	2.3
67.01888	2.4
69.03435	3.3
69.31335	4.3
69.31748	8.5
74.66702	1.8
77.03979	2.3
81.03434	2.2
81.92542	2.2
83.01398	20.1
93.03463	10.4
96.02181	1.9
97.02942	2.1
98.21951	4.1
107.01413	2.6
107.05027	6.3
108.02176	5.1
109.02966	37.7
119.05002	3.3
121.02974	30.4
124.01652	13.3
125.02456	74.0
131.05043	2.8
133.02954	3.2
135.04529	9.7
137.02444	85.9
138.02771	3.9
143.04996	2.3
145.03070	3.4
145.06580	5.9
147.04520	13.3
148.05365	3.9
149.02441	32.0
149.06084	6.8
150.03253	14.4
151.04031	21.1
157.06602	2.8
158.03743	4.3
159.04526	24.8
161.02469	23.5
162.03166	5.6
163.04027	4.5
164.01152	7.8
165.01949	24.9
172.05312	16.1
173.06087	23.0
174.03218	10.1
175.04012	54.2
176.04782	5.6
177.01929	8.3
177.05592	12.7
182.03722	2.3
183.04509	8.7
185.06068	2.1
187.07619	2.6
189.05568	15.1
191.07101	7.4
197.06059	7.5
199.03998	9.3
199.07680	2.5
200.04761	3.9
201.01949	3.0
201.05586	57.2
203.03499	17.7
211.03995	2.6
213.05562	4.5
215.03404	2.4
215.07014	10.4
217.05049	14.5
219.06636	28.6
224.04890	2.7
225.05653	15.5
227.03375	3.4
241.05058	8.6
243.02985	6.9
243.06619	24.2
245.04539	8.4
258.05301	10.3
259.06116	77.0
260.06485	4.2
263.19440	2.4
269.04590	16.6
287.05618	100.0
288.06006	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	287.0565
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03438	0.3
60.55352	0.1
63.02405	2.5
64.51915	0.2
65.00330	12.3
69.46546	0.2
80.33577	0.1
81.03435	0.2
83.01392	5.8
88.47076	0.2
95.00195	0.1
107.01403	15.8
107.05042	0.6
108.01661	0.3
108.99300	0.3
109.02975	2.3
117.03478	0.3
125.02466	3.8
133.02968	0.3
134.03778	2.2
135.04543	100.0
136.04874	3.0
137.02469	0.4
151.00391	78.4
152.00755	2.2
159.04567	0.3
161.02454	0.7
162.03249	0.3
165.01875	0.4
169.01385	1.4
177.01964	0.7
190.02792	0.8
199.07619	0.2
201.05688	0.3
225.05524	0.2
243.06633	0.5
259.06204	0.3
269.04678	0.5
274.60199	0.2
287.05692	10.9
287.09259	1.9
288.06052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35906	0.5
57.03451	12.3
70.22610	1.1
70.22951	0.6
81.03463	1.2
83.01387	3.1
93.03463	1.9
97.02981	0.7
108.02177	1.0
109.02953	6.6
110.03640	0.5
120.02174	0.7
121.02974	5.2
122.03776	0.4
123.04528	0.8
124.01681	2.3
125.02456	100.0
126.02802	1.6
133.02971	1.9
135.04507	1.6
137.02449	13.4
139.04057	0.9
146.03804	0.6
147.04541	1.6
149.02437	6.6
149.06055	1.0
150.03224	2.1
151.03970	3.0
157.06564	0.8
158.03725	0.7
159.04527	2.2
161.02457	16.2
162.03239	3.2
163.00362	1.0
163.03902	0.5
164.01161	4.3
165.01945	5.5
172.05304	1.6
173.06062	3.8
174.03194	1.5
175.04016	7.8
177.01932	1.5
177.05565	2.0
183.04576	1.1
187.07683	0.8
189.05592	1.7
191.07109	1.2
197.06125	1.0
199.03995	1.6
200.04755	0.9
201.05589	6.8
203.03476	3.9
213.05640	0.6
215.07112	1.9
217.05022	2.8
219.06581	4.1
225.05582	2.0
227.03546	1.0
241.05133	1.4
243.02982	1.1
243.06618	3.4
244.03725	0.9
245.04509	2.3
258.05450	1.0
259.06094	8.5
269.04575	4.9
287.05627	30.2
288.05954	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	287.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96965	0.5
57.03453	17.7
65.00333	6.4
69.11356	4.1
81.03478	3.4
83.01395	11.3
86.31663	0.7
88.27953	0.6
93.03461	2.2
96.02203	0.7
98.21870	1.0
107.01396	4.4
107.05018	1.0
109.02961	1.5
111.00871	1.4
123.04507	1.8
124.01669	4.2
125.02460	100.0
126.02818	1.7
130.04219	0.9
131.05017	3.2
133.02965	2.5
134.03743	1.6
135.04527	1.4
149.06110	1.3
151.00395	8.9
152.01158	10.5
153.02034	0.7
155.05038	0.7
156.05818	1.8
157.06590	2.3
158.03772	0.6
159.04489	1.5
165.01973	0.8
172.05328	2.2
173.06117	5.7
175.04066	0.8
177.05591	16.2
178.05969	0.8
178.99898	3.4
180.00648	2.3
199.03978	0.8
199.07663	2.1
201.05614	8.8
203.03578	0.8
207.31367	0.7
214.06255	0.6
215.07133	5.9
219.06647	1.8
241.05113	1.7
243.06625	11.4
259.06128	54.4
260.06458	3.5
269.04501	1.3
287.05634	34.1
288.05981	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	287.0564
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03453	15.5
59.01394	0.9
63.02410	3.7
65.00329	8.3
69.46145	1.8
69.46548	1.8
76.35506	0.6
81.03468	5.7
83.01395	12.1
93.03455	3.3
96.96033	1.0
98.21930	1.3
107.01395	7.2
107.05024	1.2
109.02982	1.8
111.00980	0.8
113.60851	0.7
123.04526	2.6
124.01693	3.5
125.02460	100.0
126.02830	1.7
131.05052	2.9
133.02945	4.2
134.03711	1.5
135.04553	2.2
137.02501	1.1
143.04962	0.9
151.00389	12.8
152.01164	11.3
153.01953	2.9
155.10782	1.5
156.05872	1.1
157.06586	1.9
158.03735	1.0
159.04543	2.0
165.01985	1.2
169.06660	1.1
172.05330	2.3
173.06091	6.0
175.04066	1.1
176.01173	0.8
177.05602	15.2
178.99855	5.3
180.00653	1.4
197.06213	0.9
199.04016	1.3
199.07628	3.2
201.05589	8.7
203.03471	1.3
213.05632	1.6
215.07101	5.5
219.06685	2.1
241.05060	2.6
243.06638	14.2
244.06993	0.9
259.06125	75.4
260.06415	4.1
264.00320	0.8
269.04544	3.7
287.05630	46.0
287.18585	1.4
288.05966	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	287.1656
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
54.18864	0.5
56.01462	0.5
59.01360	0.9
61.98821	0.5
69.15618	3.0
77.93642	0.5
81.70741	0.6
85.21211	0.5
92.92815	1.3
94.92522	2.9
98.22710	1.0
99.94146	0.5
106.35474	0.5
116.92859	0.8
121.02927	0.9
137.02431	0.6
144.05795	0.5
149.02422	4.4
150.03241	2.9
159.08160	0.6
161.02484	1.4
163.04033	0.6
173.06094	0.8
175.07574	0.8
182.02213	0.9
185.06088	1.4
187.04012	12.5
188.04642	1.6
189.05516	0.7
201.05574	1.5
203.07144	100.0
204.07600	4.8
233.20445	0.6
257.11890	0.8
269.66763	0.5
272.14206	24.2
273.14740	1.2
287.16553	63.8
288.16934	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	287.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03855	1.5
51.51053	1.4
52.07029	1.4
57.03460	1.9
58.00593	4.1
58.29890	1.6
58.74598	1.8
59.01361	3.3
61.89352	1.6
87.04520	3.4
101.06080	9.8
131.06331	1.6
139.11314	10.6
141.12868	9.0
162.78424	1.6
163.63411	1.6
169.12299	2.9
185.11853	52.7
207.17543	2.3
213.11273	4.1
215.12892	100.0
216.13155	2.6
251.16211	1.9
263.63699	1.9
269.17612	59.1
287.18625	7.6
287.22116	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	287.2231
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
50.19824	1.0
59.01382	2.1
71.41677	1.6
83.01354	1.1
94.62194	1.1
120.42275	1.2
127.11241	2.0
137.02463	1.4
175.04015	1.3
190.02710	1.7
194.00459	1.1
241.21701	1.6
243.06306	1.5
257.08255	1.6
269.21152	3.5
285.20718	1.9
286.86423	1.3
287.05615	2.3
287.09241	6.4
287.22296	100.0
288.22675	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	287.2231
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
58.00598	1.2
59.01376	0.9
61.98838	0.4
68.04220	0.2
71.01391	0.4
74.43150	0.2
88.16292	0.3
92.92809	0.2
94.92510	0.5
95.05014	0.3
97.06583	2.2
99.08167	7.1
100.08496	0.3
109.02951	0.3
109.06590	0.7
111.08169	0.6
113.09765	0.2
115.07639	1.4
125.02456	0.3
125.06082	0.4
127.07663	3.2
128.08241	0.2
129.09225	2.9
134.02477	0.3
136.04019	0.3
137.02455	0.4
137.06136	0.2
137.09889	0.2
139.11311	0.5
141.12883	9.6
142.13206	0.3
143.07150	1.0
153.12852	0.3
155.07213	0.4
169.12334	1.2
170.88351	0.2
171.13937	2.4
171.88867	0.3
211.16254	0.2
211.20718	0.8
223.20706	1.0
225.22150	0.3
232.73770	0.3
239.20197	0.3
241.21687	1.6
249.18567	0.4
251.20200	1.5
267.19595	0.6
269.21252	4.3
270.21652	0.3
285.20703	3.1
287.22296	100.0
288.16113	1.2
288.22644	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	287.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83847	0.7
58.00583	1.0
58.66542	0.6
59.01372	1.8
61.98831	1.0
71.01389	0.9
85.93529	0.6
92.05039	0.7
92.92800	0.7
93.03459	0.8
94.92509	1.4
97.06590	3.5
99.08164	6.4
108.04552	2.7
109.02983	2.9
115.07652	2.0
127.07639	2.2
129.09193	1.3
134.02493	27.6
135.03270	5.2
135.74223	0.7
136.04060	25.0
137.02444	1.2
141.12857	7.6
143.07120	1.5
145.45607	0.7
148.04085	0.6
149.04842	1.7
169.12341	1.8
170.88396	0.6
171.13878	1.6
171.88850	1.0
176.03549	4.3
185.02202	0.6
191.07159	1.2
197.90283	1.0
208.00954	0.6
211.20683	0.9
223.20679	0.9
228.84241	0.9
229.04593	0.7
241.21762	1.4
249.18570	1.3
250.88342	0.6
251.20238	2.0
267.19656	1.2
269.21164	4.1
285.20740	6.0
287.22293	100.0
288.16061	79.5
288.22662	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	288.077
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
55.02462	0.4
59.01382	9.2
70.67397	0.7
72.08025	0.3
82.06618	0.5
84.08179	0.5
90.97160	1.2
97.42582	0.4
109.70179	0.4
115.82062	0.3
118.02547	0.4
127.49898	0.4
130.08754	100.0
131.09126	2.3
132.98210	2.4
134.20071	0.3
141.98221	0.8
142.96582	0.4
160.97696	1.1
170.72935	0.4
174.99268	0.8
187.98778	1.1
207.31142	0.4
227.97687	0.5
228.07347	0.6
244.05016	3.0
244.13052	0.4
246.06638	3.0
288.07675	55.7
289.07785	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	288.1608
Annotation	Mesembrine
Peak:m/z	Relative Intensity
69.95619	0.9
81.03458	2.5
82.88245	0.3
92.05069	0.8
93.03484	1.8
98.22530	0.5
108.04564	5.7
109.02955	4.9
109.43455	0.3
124.01672	0.5
134.02493	37.8
135.03294	9.3
135.51434	0.3
136.04056	37.0
137.02446	1.5
137.04388	0.9
140.11316	0.5
148.04097	0.8
149.04825	1.5
156.26689	0.4
176.03537	4.2
177.04327	0.8
190.05048	0.8
192.24826	0.3
260.16641	0.5
288.16077	100.0
289.16367	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	289.0337
Annotation	alpha-D-Sedoheptulopyranose 7-phosphate
Peak:m/z	Relative Intensity
50.07642	0.3
59.01389	1.0
61.14899	0.3
66.06410	0.3
69.22041	1.9
71.01387	2.0
72.00879	0.4
72.99306	2.2
78.95912	48.0
87.00874	2.4
88.04077	0.4
91.89455	0.3
96.73338	0.4
96.96970	100.0
101.02457	1.0
102.05621	1.3
105.01952	1.5
114.01950	0.4
114.98904	2.2
115.00385	4.0
124.47542	0.4
126.98912	0.5
128.03542	1.4
131.08286	0.7
132.03032	0.6
132.98195	0.8
133.01437	7.9
136.94040	2.6
138.98039	5.1
142.96652	10.4
146.04623	2.3
155.03468	0.5
156.99939	0.4
157.95355	0.7
160.97684	4.3
168.99095	1.6
172.01031	1.2
172.97830	0.5
172.99449	1.1
173.01230	0.8
173.04558	0.7
174.00838	0.8
174.99265	3.2
184.97697	16.0
186.97385	4.3
190.96118	0.4
191.05591	2.5
196.65834	0.4
199.00185	8.0
201.00829	0.7
202.00339	3.2
202.91917	0.4
202.98758	16.7
203.98993	0.6
212.10939	0.4
215.00487	0.6
226.98767	1.1
228.98369	2.7
229.00504	1.0
244.99806	0.8
246.91985	0.6
247.91179	0.9
289.03357	9.2
289.92307	2.3
290.01682	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	289.0719
Annotation	Epicatechin
Peak:m/z	Relative Intensity
57.03443	7.1
61.31900	0.7
63.76809	0.7
69.03458	1.0
69.31523	4.4
69.31802	1.1
81.03483	6.2
83.01393	4.1
88.61045	0.8
93.03465	3.7
95.01402	1.4
95.05033	8.0
97.02967	10.6
103.23350	0.8
108.02201	1.0
109.02963	46.3
117.27653	0.8
121.02966	5.1
122.03749	3.4
123.04545	30.9
125.02458	24.6
125.03150	0.5
131.05069	0.9
135.04530	3.0
137.02457	13.9
138.03236	1.6
139.04034	6.8
145.02962	2.3
146.03769	2.3
149.02460	5.9
150.03217	2.5
151.04024	14.8
157.06566	1.4
159.04509	4.9
160.05307	2.2
161.02441	1.6
161.06116	8.3
162.03247	2.1
162.06371	0.8
163.04102	2.0
164.01244	3.8
165.00739	1.0
165.01927	4.6
167.03481	1.7
173.06094	2.4
174.03261	0.9
175.04074	3.2
175.07648	3.6
177.05605	1.3
179.03535	8.7
185.06085	1.8
187.04015	7.6
188.04858	4.4
199.07597	0.9
201.05678	0.9
202.06355	2.7
203.07164	16.5
205.05087	13.0
217.05215	1.1
221.08165	5.5
227.07118	3.0
230.05650	1.0
245.05661	1.8
245.08200	36.0
247.06085	2.2
271.06104	1.8
289.07202	100.0
290.07523	2.0
310.64395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
57.03454	5.5
65.03980	0.4
69.03460	1.7
69.75727	1.3
69.76073	0.5
77.03970	0.4
80.02688	1.2
81.03462	6.4
83.01387	7.1
85.02951	0.5
93.03469	3.0
95.01399	1.5
95.05042	8.2
96.02201	0.7
97.02955	13.8
99.04536	1.1
99.87713	0.4
105.03490	0.5
107.05037	1.0
107.44584	0.4
108.02195	2.1
109.02961	50.0
110.03227	0.7
111.04505	0.5
113.06105	0.6
117.03484	1.0
121.02959	7.0
122.03767	3.4
123.04535	36.4
124.04846	0.5
125.02456	28.1
126.02787	0.8
133.02943	0.6
135.04544	4.0
137.02464	15.7
137.03523	0.8
137.06094	0.4
138.03261	2.1
139.04030	7.8
143.05013	0.8
145.02939	1.8
146.03763	3.0
147.04547	1.3
149.02444	7.5
150.03258	2.3
151.04025	17.6
151.05257	0.8
157.06590	1.3
159.03329	0.6
159.04546	5.7
160.05280	2.8
161.02457	1.5
161.06099	9.9
162.03197	3.1
163.04005	2.4
164.01157	5.2
165.01947	6.8
166.02724	0.9
167.03519	2.8
173.06085	2.0
174.03253	1.1
174.06915	0.6
175.04022	3.5
175.07629	3.5
177.05608	1.5
179.03513	12.1
180.04144	0.5
185.06065	1.6
187.04018	8.1
188.04805	6.7
197.30673	0.4
199.07677	1.6
201.05563	1.3
201.09242	0.4
202.06357	4.6
203.07146	21.9
204.07437	0.6
205.05070	16.1
212.04871	1.4
217.05101	0.5
217.08795	1.0
221.08206	6.7
227.07137	3.4
229.05133	0.8
230.05882	1.1
231.03056	0.8
245.08195	38.9
246.08533	1.5
247.06151	2.2
271.06079	1.8
289.07196	100.0
290.07608	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	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.28723	1.3
57.03445	6.6
70.58450	2.2
70.78075	1.3
72.42448	1.2
81.03448	6.6
83.01398	7.3
93.03474	4.2
93.68216	1.5
95.05042	9.6
97.02963	16.3
108.02212	2.9
109.02230	2.8
109.02963	56.0
111.98975	1.3
121.02941	5.9
122.03716	4.8
123.04536	42.3
125.02459	33.8
135.04512	4.3
137.02478	16.6
138.03220	2.5
139.04037	8.2
142.44385	1.6
145.02956	3.1
146.03770	2.0
149.02464	9.9
150.03162	2.1
151.04021	19.8
159.03362	1.3
159.04459	7.8
160.05316	4.1
161.02460	1.6
161.06136	10.4
162.03221	3.4
163.04008	1.8
164.01178	5.6
165.01930	6.1
167.03491	3.8
173.06114	2.3
175.04002	5.2
175.07660	4.6
177.05658	1.6
179.03482	12.4
183.04541	1.3
185.06155	1.8
187.04016	9.8
187.05473	1.5
188.04800	9.2
201.05672	1.7
202.06389	6.1
203.07146	26.1
205.05092	16.4
208.99110	2.6
217.08702	1.6
221.08144	7.5
227.07104	3.2
230.05797	2.1
245.08199	40.9
246.08368	1.7
247.06279	2.7
271.06171	2.8
289.07211	100.0
290.07617	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	289.072
Annotation	Gerfelin
Peak:m/z	Relative Intensity
57.03423	3.1
59.01366	1.2
65.00323	1.1
68.37827	0.7
81.03455	12.7
83.01385	16.3
93.03442	0.7
95.05009	2.0
97.02937	2.0
98.21811	1.5
99.04512	1.0
107.01392	1.3
108.02142	1.1
109.02960	10.9
121.02988	1.1
122.03732	1.3
123.04531	41.9
124.04805	1.2
125.02453	30.2
135.04524	6.9
137.02461	3.2
137.05013	0.9
139.03998	1.5
145.02905	1.3
149.02492	1.4
151.00378	3.3
151.04022	1.6
154.73473	0.7
159.04495	1.3
161.06113	2.1
165.01988	1.0
167.03499	100.0
168.03842	2.6
179.03539	2.7
187.04010	1.4
188.04694	1.1
189.01898	0.8
201.01868	1.0
203.07208	3.2
205.05000	1.4
227.07100	0.9
245.04558	0.8
245.08232	6.5
245.15517	2.7
269.04694	0.8
271.06149	6.0
289.07266	29.7
289.10706	2.8
289.14502	5.2
290.07458	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	289.0721
Annotation	epsilon-Cotonefuran
Peak:m/z	Relative Intensity
57.03457	0.5
57.65887	0.5
65.36583	0.5
68.05518	0.4
69.05249	3.8
81.03459	0.9
83.01400	0.6
92.02676	0.7
95.01397	1.0
97.02933	1.1
97.53283	0.4
104.02694	4.8
107.01381	0.8
108.01569	0.7
108.02194	7.1
109.02959	3.6
119.01398	2.0
120.02188	1.5
122.00105	1.0
123.00887	1.6
123.04551	2.6
124.01649	1.9
125.02449	2.3
132.02167	10.1
135.00877	0.9
136.01678	3.8
137.02435	1.7
137.99525	1.0
139.04044	0.7
145.02942	0.9
147.00876	2.0
148.01674	6.0
149.02408	1.2
151.03937	1.0
159.00943	3.4
159.04472	0.5
160.01671	56.6
161.02463	5.3
163.00372	10.2
163.04044	1.4
164.01088	0.7
165.01950	0.7
172.61250	0.5
175.00391	3.5
176.00006	0.6
176.01172	17.3
177.01891	2.0
179.03452	1.1
187.03983	1.4
189.01866	0.9
190.02750	1.2
190.96698	0.5
190.99792	1.1
192.00743	0.8
201.05602	2.7
202.99895	11.6
203.03503	15.2
203.07162	1.6
204.00626	1.5
204.03804	0.9
205.05112	1.3
206.29796	0.6
215.03539	0.7
216.00650	98.1
217.01222	6.6
217.05107	0.6
221.08249	0.8
229.05153	0.6
230.02197	1.0
231.03000	10.1
243.06702	0.7
245.04568	28.1
245.08125	2.9
246.05225	3.3
257.04526	1.4
259.02448	4.0
265.17688	0.6
274.04858	21.7
274.08249	1.5
275.05066	1.1
289.07211	100.0
289.10443	4.6
290.07623	3.6
303.81100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0721
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
51.49092	0.9
56.63698	1.1
57.03440	5.7
59.01361	2.2
61.66630	1.0
71.01389	2.0
72.99331	1.3
78.95917	9.6
81.03472	5.8
83.01395	4.9
83.18001	0.9
84.39941	1.2
87.00909	2.5
93.03457	2.4
95.01385	1.3
95.05039	7.2
96.96978	6.0
97.02957	13.7
100.74135	1.0
102.34084	1.0
105.01953	9.9
105.62635	1.0
107.05000	1.2
108.02189	1.6
109.02962	44.9
111.04540	1.7
112.98816	1.1
115.00371	5.3
115.04054	1.7
119.05025	1.2
120.99658	1.4
121.02972	5.9
122.03762	4.0
123.04547	32.7
125.02464	29.2
128.03554	1.7
128.88138	1.0
131.08229	1.4
133.01457	12.3
135.04532	4.5
137.02464	16.7
138.03287	2.2
139.04037	5.8
139.10648	1.1
142.96643	4.4
145.02945	1.8
145.06198	2.8
146.03680	2.0
149.02467	7.3
150.03229	2.1
151.04031	15.5
153.01923	1.0
157.08708	2.1
159.04514	4.2
160.05325	2.8
160.97676	2.5
161.02443	1.7
161.06097	8.6
162.03282	2.3
163.04031	1.8
164.01183	6.9
165.01978	5.8
166.02763	1.3
167.03493	2.2
172.99461	1.3
173.06059	1.7
174.03220	1.1
174.99261	1.2
175.04028	2.8
175.07669	3.3
177.05563	1.3
179.03503	9.6
184.97723	6.9
185.06137	2.1
186.97383	2.3
187.04018	6.7
188.04799	7.2
201.05566	2.0
202.06393	3.9
202.98758	7.0
203.03593	1.0
203.07175	20.4
205.05070	12.6
221.08159	7.5
227.07153	2.9
228.98251	1.2
231.02939	1.2
245.08199	37.4
247.06140	2.1
271.06155	1.7
289.07193	100.0
290.07599	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	289.072
Annotation	epsilon-Cotonefuran
Peak:m/z	Relative Intensity
53.42969	0.5
56.16585	0.5
59.01387	0.6
69.29464	3.3
72.68764	0.5
74.76882	0.5
98.21838	0.9
98.43391	0.6
104.02691	48.6
108.02193	4.9
120.02182	7.1
123.00905	1.3
130.08748	1.6
132.02217	0.8
135.04640	0.5
136.01683	2.4
147.04509	0.9
148.01678	48.9
149.02065	0.7
164.01149	1.2
172.05345	0.9
172.88507	0.7
173.06058	0.6
175.36819	0.6
176.01157	100.0
177.01488	3.0
187.04051	0.6
189.02000	1.2
190.99869	21.5
191.03586	0.9
192.00659	15.5
199.04041	0.6
200.04825	1.6
203.03529	0.8
203.07147	0.6
204.00642	20.0
205.01077	0.8
215.07141	2.5
217.05052	1.5
229.05064	1.8
245.04565	2.2
246.05392	2.1
257.04572	2.4
259.06161	1.0
261.07712	1.8
274.04846	19.9
274.07813	1.0
275.05243	0.9
289.07202	65.0
290.07553	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	289.0832
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
57.03452	7.0
58.02966	18.2
59.01388	7.7
61.17482	4.3
69.72966	13.5
70.02985	14.8
72.04537	5.8
72.13922	3.9
74.02480	100.0
81.03456	5.9
87.02539	4.4
98.02483	22.9
108.02154	5.6
109.02959	15.3
116.03530	26.4
116.05056	36.2
123.04549	12.0
125.02447	31.4
130.06619	4.6
136.01599	4.0
139.24026	3.9
142.06654	8.9
151.04028	6.8
159.09328	7.7
201.10301	8.6
203.06776	5.3
203.08347	89.8
229.14536	5.0
245.09428	90.0
246.09634	6.6
247.15361	6.9
264.23285	4.8
277.72018	4.6
289.07138	32.8
289.14401	10.9
290.07571	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	289.1083
Annotation	CHEBI:67489
Peak:m/z	Relative Intensity
59.01370	1.9
76.44234	1.1
77.51400	1.1
81.03474	1.5
83.01405	3.2
95.05067	1.5
97.02970	3.0
101.66371	1.2
107.04990	1.5
109.02959	9.6
117.03477	1.2
123.04505	8.8
125.02460	8.8
133.02945	2.1
137.02423	2.6
139.04019	1.6
145.02983	4.9
148.01660	2.7
149.02472	1.7
150.03195	1.2
151.04059	3.1
153.01955	7.8
155.08673	1.7
161.02415	1.6
161.06055	3.7
164.01094	1.4
165.01917	1.7
171.08203	2.6
173.06046	1.3
176.01158	1.3
179.03505	2.5
187.04036	1.8
187.07658	2.2
188.04784	2.0
189.01915	8.0
189.62392	1.3
190.02716	5.1
199.07678	6.4
201.01907	3.4
201.05518	3.0
202.06323	1.9
203.07141	6.1
205.05025	2.7
215.07104	2.4
229.05151	1.3
243.06631	93.8
244.07147	8.0
245.08260	6.6
246.08801	1.8
257.08197	5.9
259.10010	1.7
272.09430	1.3
273.07721	1.6
274.08499	58.7
275.08752	2.3
289.07239	23.1
289.10803	100.0
289.14203	5.9
290.07629	2.3
290.11081	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	289.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46410	1.1
59.01391	1.8
61.98828	1.6
68.99796	2.0
69.77413	1.0
78.04548	1.0
78.99529	1.1
83.01385	1.2
95.44706	1.1
97.02979	2.3
105.03462	2.7
105.97742	1.1
109.02975	7.7
117.03472	4.4
123.04557	3.7
125.02435	3.4
133.02969	3.5
137.02470	1.5
141.87335	1.2
141.88730	1.1
145.02953	1.5
147.00868	12.3
147.01775	1.2
147.04529	2.1
149.02461	3.6
151.03993	1.2
157.06563	1.3
161.02493	2.3
165.01930	2.9
172.08984	8.2
173.02438	2.5
177.01958	32.6
178.02516	1.8
179.03542	1.5
184.08910	2.1
187.04056	1.6
187.07576	1.3
188.04733	1.8
191.03566	3.6
201.01953	1.5
202.09993	6.1
203.03516	2.6
203.07182	3.2
205.01443	10.7
205.05200	1.8
216.07938	2.8
217.08672	1.2
227.07182	1.4
229.08708	1.6
230.84117	1.2
244.07410	13.1
245.08195	9.5
246.08771	2.2
254.12480	1.1
257.08249	2.2
259.09549	1.6
273.07782	3.6
274.08502	92.9
275.08878	4.3
289.07373	9.3
289.10852	100.0
289.14288	7.5
290.11169	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	289.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54803	0.2
59.01384	0.2
64.39675	0.2
64.80811	0.2
70.13547	0.6
81.03452	0.5
86.34081	0.2
89.03983	0.2
93.03484	0.3
95.05056	0.2
97.02966	0.5
104.02681	0.6
105.03458	1.0
108.02180	0.3
109.02953	1.5
118.04264	7.5
123.04559	1.2
123.05342	0.3
125.02457	0.9
132.02176	6.6
134.03763	2.2
137.02472	0.9
139.04062	0.3
145.02956	0.7
146.03705	0.3
147.04596	0.3
148.01707	0.3
149.02377	0.3
151.03984	0.4
158.03731	0.6
158.07388	0.4
159.04469	0.3
161.02504	0.4
162.03246	6.7
163.03714	0.3
164.01106	0.2
171.04573	0.4
174.06825	0.4
176.01135	0.3
184.05235	0.3
185.06046	1.6
186.06821	0.3
187.04016	0.5
187.11313	0.3
188.04826	0.4
189.01950	0.7
190.02727	22.7
191.03090	0.9
192.84154	0.2
199.07642	1.6
201.01955	1.0
201.05632	0.5
202.06250	0.4
203.03636	0.3
203.07162	0.7
205.05048	0.6
213.05602	0.5
215.03415	0.3
221.99530	0.3
222.01715	5.0
223.01793	0.2
225.05751	0.3
227.07153	0.4
229.05074	7.7
230.05824	6.1
231.06316	0.4
243.06641	1.6
244.07166	0.3
245.08138	1.1
245.11810	1.4
246.11720	0.2
271.02338	0.4
271.09903	0.3
274.04755	0.3
289.10822	100.0
290.11191	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	289.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18078	0.5
57.03453	0.7
59.01386	39.0
71.05017	2.0
73.02966	0.9
83.05043	0.6
85.06624	0.8
97.06599	1.0
99.04561	0.7
99.08166	9.1
109.06635	0.7
111.08179	1.3
115.07648	1.7
116.74210	0.6
126.39861	0.6
127.07674	2.5
129.08318	1.1
129.09245	21.6
135.04543	0.7
143.10779	3.5
153.12898	0.8
171.13942	1.3
181.12381	2.5
183.13916	2.3
201.14998	15.8
202.15355	0.6
229.14476	57.7
230.14815	2.7
247.15523	100.0
248.15866	5.0
289.11899	1.0
289.16583	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	289.1812
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.60646	1.3
57.95015	1.5
59.01381	14.3
60.97244	1.5
61.98824	3.4
66.04931	1.7
80.64972	1.7
80.65436	1.6
90.00031	1.7
95.05009	2.3
97.06571	2.5
103.01481	1.7
108.81635	1.4
109.06622	3.1
128.09517	1.5
141.09120	1.6
147.08089	2.4
148.08958	3.2
150.10513	3.2
151.11275	2.1
163.11302	41.1
165.12898	3.5
189.12843	2.7
191.14438	56.5
192.14803	3.3
217.16017	6.9
245.19110	38.3
271.17023	7.8
289.18134	100.0
290.18384	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	290.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71785	9.5
55.29202	11.4
57.03396	12.2
59.01374	42.6
62.48356	9.0
70.70237	20.2
83.07500	10.0
85.02934	20.2
91.54527	12.0
96.94729	9.5
98.36295	9.5
115.04038	24.1
119.05004	79.9
121.02959	25.2
130.08777	21.1
131.09079	12.2
145.02975	11.2
151.04039	17.1
163.04024	49.7
169.79826	11.6
175.03902	12.8
232.08488	13.4
290.10394	13.2
290.16602	100.0
291.08859	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	291.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47252	0.6
55.18692	0.6
56.58613	0.6
70.55949	0.9
70.56264	1.1
121.02963	1.8
183.63237	0.6
185.57710	0.6
196.06445	1.7
204.06921	4.7
205.05324	2.4
208.06395	2.9
209.04822	1.0
220.06384	6.8
221.06895	0.6
224.59241	0.6
232.04134	4.0
232.06396	62.8
233.04799	17.4
233.06816	2.6
235.05119	9.2
236.05807	5.4
248.05901	1.1
250.07446	2.2
251.05870	6.7
263.04639	11.2
264.05399	30.4
265.05676	1.4
276.05402	1.0
277.03860	1.3
291.07767	100.0
291.19614	1.5
292.05750	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	291.078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71113	2.0
56.81181	2.0
59.01392	3.6
71.07105	2.5
77.24104	1.8
121.02967	3.1
159.17004	2.0
165.12949	1.8
195.40610	2.1
221.04832	69.8
232.04391	2.6
233.04866	6.5
234.05498	3.1
248.06003	7.6
249.04330	50.3
259.05145	100.0
260.05521	8.5
275.04672	8.4
276.05249	2.7
277.00815	3.4
277.03836	64.4
291.04681	2.3
291.07785	65.2
291.11142	3.0
291.19608	13.2
292.06113	76.1
299.47958	2.1
306.39975	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	291.0877
Annotation	cis-Grandmarin
Peak:m/z	Relative Intensity
62.53213	0.6
70.94523	1.0
71.57516	0.6
104.02678	1.0
117.03484	3.4
118.04256	2.6
132.02243	0.8
133.02974	2.3
134.03740	1.4
145.02963	2.5
146.03796	0.8
148.01680	1.7
160.01698	1.4
161.02446	14.9
162.03149	1.4
166.62796	0.6
172.01712	1.1
173.02466	2.0
174.03206	2.3
176.01118	5.0
177.01958	7.7
184.74507	0.6
189.01952	89.8
190.02699	13.7
191.03365	0.8
193.53424	0.6
200.01143	0.9
201.01952	77.3
202.02306	2.5
203.03513	1.3
204.00632	4.0
205.01418	4.5
207.03148	0.7
215.03586	0.7
217.01439	63.4
218.02194	21.4
219.02969	4.1
222.01746	0.8
229.05145	1.0
233.04587	0.9
243.03004	1.9
259.06107	3.5
275.05817	1.0
276.06430	2.0
284.05215	0.6
291.08768	100.0
292.09125	6.3
312.85818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0878
Annotation	Isopurpurasol
Peak:m/z	Relative Intensity
57.88924	0.5
82.42827	0.4
97.02914	0.8
100.94272	0.5
117.03492	1.0
117.61821	0.4
132.32050	0.5
133.02974	0.7
136.35318	0.5
145.02966	2.3
149.09555	0.5
161.02458	3.8
163.00291	0.6
172.01608	0.5
173.02435	5.3
174.03236	0.8
176.01166	0.7
177.01939	2.3
181.06606	0.5
187.04019	1.1
189.01952	10.5
189.05592	0.7
190.02785	2.5
190.99875	0.9
194.73505	0.4
199.04047	0.6
200.01166	3.9
201.01950	100.0
202.02261	2.7
203.03497	0.6
204.00609	0.5
205.05095	0.5
215.03543	2.9
215.07199	1.8
216.04192	0.8
217.01437	7.6
218.02174	2.1
225.05559	4.3
227.03494	6.3
228.04163	1.7
232.07407	0.8
241.05081	0.9
242.05904	0.9
243.02795	1.6
243.06628	45.0
244.03787	45.9
244.06958	2.7
245.04353	3.8
245.06857	0.5
248.06709	1.0
259.06128	77.3
260.06412	3.8
273.14862	0.5
276.06342	0.7
291.04346	0.6
291.05396	0.7
291.08813	7.7
291.12210	0.9
291.16107	0.9
291.19574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04691	0.3
59.01387	1.1
63.22596	0.3
69.36990	1.3
73.90927	0.3
85.02972	1.6
87.00929	0.4
92.27697	0.3
93.03516	0.4
107.79349	0.3
117.03433	1.7
119.05040	100.0
120.05394	3.5
121.02972	3.9
133.03008	0.3
145.02971	5.9
159.04564	0.5
163.04025	89.2
164.04372	2.8
166.71884	0.4
201.46573	0.3
209.04565	1.7
250.93504	0.4
273.07730	0.8
291.01935	0.8
291.05399	0.4
291.08755	7.5
292.09229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44780	0.4
54.82830	0.5
55.01877	1.8
57.03454	4.5
59.01383	5.8
69.03457	2.2
70.14068	1.5
71.01389	100.0
72.01754	0.6
73.02956	7.5
81.03461	0.6
82.02991	1.4
83.01393	7.6
84.04540	0.7
85.02957	27.1
85.06586	1.3
86.03346	0.5
87.00888	1.9
89.02493	0.7
95.01386	1.4
97.02982	0.8
99.00888	2.1
100.03996	0.6
101.02448	12.1
101.06105	1.9
103.04019	9.9
110.39857	0.5
113.02470	10.1
116.92303	0.5
119.05048	3.8
121.02908	2.5
125.02444	1.0
129.01942	0.6
129.05588	3.1
130.99960	0.6
133.03030	0.6
145.02975	0.9
147.06648	77.6
148.06967	1.4
159.03035	0.7
159.10278	1.3
161.04573	0.7
163.04008	3.9
164.07185	0.9
168.99966	0.7
175.03963	0.5
178.98619	0.5
199.93997	0.5
201.07686	1.1
209.04704	0.7
212.44122	0.5
246.07692	1.7
291.10934	12.5
291.19669	0.6
292.11200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44075	0.6
54.29508	0.7
55.76609	0.7
58.00591	0.9
59.01385	100.0
60.01731	0.7
69.47271	2.8
71.05028	4.0
72.99323	1.4
82.02979	4.6
85.06625	1.6
87.00879	22.0
87.01382	1.1
88.50143	0.7
88.96365	0.6
98.02511	1.0
98.22613	1.4
103.00382	40.6
112.98859	2.1
113.09729	10.6
115.11325	0.8
119.05054	2.7
129.97856	0.6
130.99883	20.5
141.09308	0.9
147.04572	2.3
149.00935	6.3
159.10284	35.8
160.10657	0.9
160.78775	0.6
163.04036	1.7
164.07225	1.4
184.07677	1.1
186.09357	1.1
191.54768	0.6
202.08774	1.6
230.08342	0.9
246.07777	4.7
271.57111	0.6
274.07187	1.3
274.40982	0.6
291.11050	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	291.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
57.68297	0.8
59.01385	87.1
59.66784	0.6
69.43560	2.7
69.43970	1.5
71.01366	0.7
78.83450	0.7
79.68728	0.7
81.03404	0.8
96.96000	0.8
97.06606	2.8
102.57921	0.7
106.15749	0.7
109.06586	3.2
119.05051	1.0
125.54258	0.8
165.12846	3.6
198.25064	0.7
209.11852	100.0
210.12231	4.0
221.04814	1.2
249.04343	1.3
273.95975	0.7
277.03873	0.8
291.07739	1.8
291.12247	9.4
291.19699	7.6
292.06049	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.5
68.99811	1.3
70.78180	0.7
98.22691	0.7
101.34389	0.5
104.02699	0.7
107.04978	0.6
109.02956	1.5
119.01385	3.4
120.02172	0.6
121.02989	1.3
131.01399	1.1
135.04544	0.8
147.00891	9.6
148.01677	35.3
149.02354	1.8
161.02509	1.3
163.04045	0.8
175.00374	15.1
176.01155	13.4
177.01907	2.0
179.03503	47.2
180.03903	1.2
189.01851	0.6
191.03511	35.3
192.03879	1.1
196.73703	0.5
207.02994	100.0
208.03384	4.5
221.04556	3.8
222.05341	41.5
223.05844	3.7
231.10278	2.8
259.09708	0.8
276.10077	3.4
291.12369	6.9
291.19684	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	291.1968
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
54.84644	2.0
59.01376	6.1
61.98838	3.0
63.93943	2.5
77.00311	2.0
79.05011	2.0
99.21204	2.1
121.02950	7.4
125.09735	2.1
127.11288	2.9
137.09760	21.6
143.85583	2.0
153.25595	1.9
161.50494	2.0
171.10287	100.0
172.10577	4.9
174.23016	2.4
176.22998	2.1
198.02051	1.9
209.04553	2.9
291.19574	8.8
302.79416	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	291.1968
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
57.03447	2.2
58.14215	0.5
58.61769	0.5
58.94534	0.5
67.05540	0.7
70.09973	1.0
93.07117	1.5
97.06597	1.9
121.10243	17.4
122.10605	0.7
123.08178	2.0
125.09734	7.9
130.15178	0.7
132.31148	0.6
141.12875	1.8
147.08147	1.1
171.10350	0.7
185.11850	18.0
185.13448	1.2
186.12184	0.9
197.11815	4.6
203.79811	0.7
209.11931	1.7
211.13405	2.6
223.13336	1.7
273.18616	1.4
289.18195	0.7
291.19684	100.0
292.20074	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	291.1969
Annotation	12-OPDA
Peak:m/z	Relative Intensity
56.69881	0.4
59.01381	0.9
61.98806	0.7
64.95034	0.3
69.09184	2.3
72.43742	0.4
72.44966	0.3
95.05052	0.5
97.06597	0.6
105.21973	0.4
106.04280	0.5
109.16336	0.4
121.02934	0.6
125.06103	0.7
148.08977	1.7
150.10512	1.4
151.11307	0.6
163.11316	1.2
165.12859	24.7
166.13173	1.0
175.11292	0.5
176.12053	0.7
177.12825	0.6
191.14421	1.3
208.41385	0.4
217.16101	0.5
247.20695	13.3
248.21135	0.9
273.18646	7.1
274.19095	0.6
291.19687	100.0
292.20016	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	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	6.3
69.21385	6.4
69.21678	1.8
71.01427	1.0
71.04652	2.1
71.05024	26.4
83.04996	1.2
97.06604	8.4
97.70546	1.0
121.02970	2.7
121.10223	1.6
156.87901	1.3
162.10559	1.3
181.12292	2.5
185.11789	1.6
207.13924	2.4
209.04474	1.4
217.06639	1.0
219.13988	3.2
224.96886	1.0
229.19701	1.1
233.15572	2.6
235.17010	3.2
240.43668	1.0
247.17119	1.7
247.20679	3.1
273.18585	4.5
274.18933	1.2
291.16156	4.2
291.19678	100.0
292.19962	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.4
59.01387	2.3
59.22079	1.2
60.29956	1.0
61.98818	1.8
62.72703	1.1
64.57937	1.0
69.30510	1.0
84.62408	1.4
97.06581	1.8
98.85042	1.1
111.08164	5.4
120.18375	1.1
121.02996	2.2
121.10233	11.7
123.08160	1.7
125.09720	6.5
141.12915	1.4
167.10817	1.3
185.11829	9.4
195.13914	4.2
197.11897	2.2
209.04616	1.2
209.11821	1.2
210.67867	1.3
211.13455	1.4
217.01494	1.5
223.13457	1.2
228.68752	1.3
247.20749	1.9
254.85587	1.6
273.18683	2.2
291.09039	4.5
291.19684	100.0
292.20004	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	291.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.2
58.00588	6.2
59.01369	4.9
61.98837	1.7
69.03461	2.3
69.24093	7.7
71.01382	4.2
73.02569	2.0
73.02954	30.1
77.89914	1.3
81.03435	1.7
83.05031	1.8
84.02175	8.5
85.02954	2.1
87.04503	1.9
90.74172	1.3
95.05049	2.2
97.06583	5.2
98.10905	1.2
103.01508	1.4
109.06612	3.2
111.08147	2.0
113.06112	1.6
119.05028	1.4
121.02962	4.4
121.10194	1.4
125.06088	5.1
127.07648	1.9
137.09669	1.4
139.07646	4.8
153.09225	1.6
155.14453	2.0
200.09201	1.2
209.04472	2.0
211.52138	1.2
221.19185	2.0
247.16942	1.5
255.21098	3.0
261.22272	5.3
263.23825	10.3
272.06396	1.3
273.22229	23.4
274.22623	1.9
291.19727	14.9
291.23273	100.0
292.20706	1.6
292.23627	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	291.2334
Annotation	5alpha-Androstan-3beta,17beta-diol
Peak:m/z	Relative Intensity
57.03441	3.2
58.00588	6.2
59.01369	4.9
61.98837	1.7
69.03461	2.3
69.24093	7.7
71.01382	4.2
73.02569	2.0
73.02954	30.1
77.89914	1.3
81.03435	1.7
83.05031	1.8
84.02175	8.5
85.02954	2.1
87.04503	1.9
90.74172	1.3
95.05049	2.2
97.06583	5.2
98.10905	1.2
103.01508	1.4
109.06612	3.2
111.08147	2.0
113.06112	1.6
119.05028	1.4
121.02962	4.4
121.10194	1.4
125.06088	5.1
127.07648	1.9
137.09669	1.4
139.07646	4.8
153.09225	1.6
155.14453	2.0
200.09201	1.2
209.04472	2.0
211.52138	1.2
221.19185	2.0
247.16942	1.5
255.21098	3.0
261.22272	5.3
263.23825	10.3
272.06396	1.3
273.22229	23.4
274.22623	1.9
291.19727	14.9
291.23273	100.0
292.20706	1.6
292.23627	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	292.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.0
69.24599	0.7
70.66528	1.1
72.25600	0.7
108.74239	0.8
119.03539	0.7
164.05206	0.7
177.05771	0.8
204.04524	3.2
205.05347	10.7
209.04874	2.4
221.04796	2.3
232.04042	18.7
233.04822	82.4
234.05511	13.6
236.03484	1.6
237.04340	1.8
249.04381	1.5
249.77568	0.8
251.05882	32.6
252.06284	2.6
277.03839	6.3
292.06180	100.0
293.06387	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	292.0619
Annotation	Piperumbellactam D
Peak:m/z	Relative Intensity
59.01379	0.8
61.98815	0.5
85.55332	0.5
152.91794	0.6
158.02513	0.8
164.17700	0.5
204.04515	0.6
205.05330	1.5
208.07950	0.5
221.04829	68.6
222.05173	3.3
231.26411	0.4
232.04066	1.9
233.04828	10.4
234.05449	1.3
236.07242	0.8
247.06543	0.6
248.07155	1.4
249.04317	39.7
250.04639	2.8
251.05840	2.7
263.05841	1.3
264.06720	1.8
276.03122	0.8
277.03815	76.1
278.04202	5.8
292.06180	100.0
293.06479	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	292.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.11013	1.2
59.01389	24.5
60.01729	2.2
64.96059	1.3
67.01884	1.4
69.03442	2.2
70.02982	2.3
71.01395	5.5
71.21037	1.6
72.00910	6.8
72.04543	4.3
72.99337	1.5
73.02956	3.9
82.02995	77.8
83.01389	14.1
84.04561	10.9
85.02966	3.9
87.00878	3.7
89.02477	5.9
91.05543	6.4
92.50238	1.3
94.03011	5.3
98.02486	23.9
99.00880	2.3
100.04055	13.3
101.02449	5.6
103.00388	4.7
104.00700	2.0
110.02530	1.6
111.03278	20.7
113.02472	3.6
118.06648	7.4
119.03529	1.9
119.05027	3.8
120.04578	2.0
120.05396	3.8
126.01987	3.3
127.00398	10.6
131.05034	1.6
133.02931	1.7
135.04491	1.5
144.08205	2.6
145.02946	1.7
147.04539	40.6
148.04945	1.3
159.08170	1.5
159.10251	2.5
160.10623	4.5
161.02435	1.6
162.34198	1.1
163.04028	2.8
164.04347	3.9
164.07181	47.2
165.07497	1.5
181.02647	1.1
184.07687	22.6
186.09242	16.1
202.08760	20.8
207.03008	2.2
212.07317	1.6
219.03040	3.6
230.08249	21.5
233.08876	1.8
246.07721	100.0
247.08022	4.9
248.09384	3.4
274.07251	40.2
275.07748	1.6
291.18298	1.4
292.08466	12.1
293.03040	2.3
293.08871	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	293.0882
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01883	1.9
57.03449	2.0
59.01385	100.0
60.01722	0.6
64.56105	0.6
69.03462	7.9
71.01389	44.3
72.99323	0.9
73.02966	3.5
83.01401	3.0
85.02958	11.1
85.06598	5.2
87.00896	6.0
87.04541	1.8
89.02454	46.5
95.01379	3.4
99.00951	1.0
99.04533	0.7
99.14384	0.6
101.02454	31.6
113.02465	35.8
113.06115	1.8
115.04038	0.8
115.07674	0.9
119.03517	21.7
130.02773	0.8
130.08791	2.2
131.03511	9.4
131.07153	21.0
133.05069	5.2
143.03534	2.1
149.04553	1.3
161.04617	2.7
163.04234	0.6
179.05679	1.4
186.74155	0.6
203.05714	0.8
275.07874	1.4
293.08936	70.4
293.12534	38.2
293.15186	4.0
294.09326	3.2
294.12665	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0883
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.64478	1.1
53.82265	1.2
55.01881	2.3
58.00594	2.7
59.01384	100.0
60.65802	1.3
69.03464	9.7
71.01389	81.1
72.99297	2.5
73.02957	11.8
75.00896	1.4
81.03461	4.8
81.26977	1.3
83.01402	5.4
85.02955	9.6
87.00883	3.1
89.02456	89.3
90.02798	1.9
95.01378	2.0
96.49913	1.3
97.02962	12.5
99.00889	10.9
99.04480	1.6
101.02440	14.1
102.32027	1.4
109.02929	1.7
111.00888	1.4
113.02443	9.6
115.03987	6.5
119.03555	1.6
120.99669	4.7
125.02466	30.2
131.03519	5.3
134.03764	11.8
135.04567	4.0
137.02487	2.3
143.03487	4.0
146.37735	1.3
149.04549	3.9
150.21118	1.2
178.02701	3.4
178.41969	1.2
191.05614	1.8
233.06676	15.7
275.08716	1.4
293.08603	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	293.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.8
57.03452	2.5
57.58646	0.7
58.00605	1.4
59.01383	100.0
60.01716	0.9
65.50352	0.6
69.03458	12.0
69.47917	2.2
69.48295	1.4
71.01385	41.4
72.99316	1.2
73.02943	3.0
83.01391	3.5
85.02955	10.8
87.00883	8.4
87.04517	1.4
89.02450	42.7
93.98653	0.7
95.01411	2.9
101.02447	29.6
113.02457	38.7
115.04002	0.9
119.03505	23.0
119.04332	1.3
130.02713	1.5
131.03516	10.5
133.05066	3.8
143.03487	1.3
149.04567	1.8
161.04556	1.8
179.05624	1.8
203.05667	1.0
238.69312	0.7
242.22444	0.6
253.46861	0.7
275.07693	1.3
293.08810	77.9
294.09314	4.0
309.96521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06196	1.0
55.01878	1.9
57.03450	2.5
58.00599	1.0
59.01383	100.0
62.47095	0.7
69.03456	9.2
69.45935	3.7
71.01386	43.6
72.53986	0.8
72.99310	0.8
73.02953	3.2
80.82541	0.8
83.01389	2.8
85.02962	9.0
87.00894	6.0
87.04515	2.0
89.02449	42.7
95.01382	3.3
101.02454	23.2
104.88404	0.8
113.02461	29.3
119.03509	15.4
131.03496	8.1
133.05093	3.3
161.04524	1.2
179.05573	1.2
248.91658	0.9
267.95490	0.9
275.07571	0.9
293.08820	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.53941	0.7
53.37831	0.7
55.01871	1.6
57.03465	1.7
58.00607	1.8
59.01384	100.0
60.01724	1.0
69.03474	6.2
70.01337	1.4
71.01389	80.3
72.99319	2.2
73.02950	15.9
80.96535	0.8
81.03465	4.3
81.81154	0.6
83.01402	5.1
84.32473	0.7
85.02957	10.5
85.92554	0.8
87.00887	4.2
87.04511	0.8
89.02454	77.8
90.02802	1.0
93.03481	1.0
95.01408	1.1
97.02966	7.1
97.84814	0.6
99.00884	2.0
101.02451	26.6
101.03113	1.3
109.02985	2.1
111.00911	3.3
113.02452	10.7
115.04048	1.4
119.03510	4.1
120.04615	1.2
125.02454	15.6
131.03516	12.8
132.03024	0.7
133.03008	2.6
135.04553	3.1
137.02446	1.5
139.00423	1.5
143.03520	1.5
145.02963	1.0
147.04628	0.7
149.04576	8.8
159.04587	1.0
161.02437	3.3
163.04044	3.2
173.02563	0.8
177.01999	0.7
177.05655	0.7
191.03598	1.8
191.05698	4.2
204.04385	1.0
205.01170	0.8
219.03021	7.2
219.06619	1.3
219.36716	0.6
223.72337	0.6
231.03156	1.3
231.51067	0.6
233.06755	1.0
293.03143	4.9
293.08752	11.0
293.11847	0.8
293.15112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.25802	0.6
51.87460	0.7
53.17691	0.6
55.01884	1.6
57.03455	2.9
58.00593	0.8
59.01385	100.0
65.00322	0.8
69.03464	10.7
69.06200	4.6
71.01389	42.2
72.01712	0.9
72.99314	1.9
73.02948	2.1
79.05560	1.1
83.01384	4.8
85.02958	12.3
87.00888	8.9
87.04537	2.2
89.02454	40.3
95.01404	3.7
99.00907	1.6
101.02457	27.6
103.35708	0.7
103.57835	0.8
109.02949	3.4
111.00906	1.0
113.02461	37.9
113.03599	1.6
114.02770	0.9
115.04015	1.3
119.03513	22.7
119.04335	1.6
123.04551	0.9
125.02430	0.9
128.01811	1.0
130.02747	0.9
131.03551	9.7
131.04623	1.7
132.04562	7.2
133.02908	1.9
133.05052	5.1
135.04518	7.7
137.02472	2.7
138.05664	1.5
139.00404	2.1
143.03532	2.1
145.02988	0.8
146.08260	1.4
149.04561	1.6
158.80690	0.7
161.02437	8.2
161.04596	1.7
163.00365	3.2
163.04012	7.0
165.05591	3.5
173.02493	1.0
179.03629	1.0
179.05670	1.5
183.06718	2.0
189.05290	0.8
191.03526	4.1
203.05521	0.8
219.03008	13.1
231.02986	1.6
235.70589	0.8
275.01910	1.2
275.07898	1.5
275.10751	1.1
290.12958	0.7
293.03189	7.7
293.08856	74.0
294.09137	1.6
311.98114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0883
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.30457	1.0
55.01873	3.1
56.84898	0.9
58.00586	1.6
59.01385	100.0
60.01710	1.7
69.03463	8.2
69.21311	1.6
69.21719	3.8
71.01389	86.1
72.99312	2.9
73.02946	13.4
75.00854	3.1
81.03465	5.8
83.01382	6.4
85.02964	8.4
87.00880	3.2
89.02451	90.4
90.02798	1.1
95.01413	2.4
97.02959	12.8
99.00882	12.2
99.04507	2.4
101.02442	9.2
105.76575	1.0
109.02972	6.3
110.03318	1.1
111.00891	1.8
113.02463	6.8
115.04029	6.9
125.02460	31.5
126.02806	1.2
127.03968	1.5
131.03505	4.6
133.02979	1.7
135.04536	8.2
137.02466	1.6
139.00383	3.4
142.87334	1.1
143.03528	4.0
149.04541	3.0
159.04472	1.5
161.02443	5.4
161.04460	1.3
163.04016	9.4
173.02464	1.6
177.05649	1.5
191.03517	6.5
191.05594	2.1
205.05070	1.1
219.03035	20.4
231.03006	3.2
233.06674	16.8
234.07169	1.3
275.02097	1.2
293.03107	12.9
293.08862	4.0
293.13821	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	293.1034
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
55.01881	2.7
57.03438	5.5
59.01381	12.2
60.99309	1.9
67.01888	1.9
69.03453	5.4
69.23822	7.5
71.01385	8.4
74.13105	1.4
79.05532	4.5
83.05039	3.2
85.02965	6.7
87.00864	2.6
89.02451	4.8
93.03488	3.2
95.05032	13.0
96.96018	1.8
97.02951	16.5
99.04539	1.4
101.02431	3.2
105.07097	1.5
107.05036	7.2
109.02960	19.7
109.06595	12.3
111.04530	21.6
111.08155	3.6
113.02444	6.0
119.03536	3.5
121.06612	9.5
122.03751	63.7
123.04562	3.5
123.08173	2.6
124.05314	30.6
125.06066	5.0
135.04532	22.0
135.08145	4.8
136.05302	6.2
137.06085	26.5
138.06870	14.2
139.00386	4.0
139.07658	100.0
145.02992	2.8
145.10222	4.0
147.08148	5.2
148.05244	2.5
149.06052	3.7
150.06892	1.7
157.06650	1.8
158.47595	1.7
159.04475	1.8
161.02446	4.3
162.06874	1.8
163.04015	6.6
163.07614	4.5
163.11272	6.9
169.10228	1.6
171.08183	12.8
172.08911	3.5
175.07611	2.6
177.12868	1.9
182.05832	5.1
185.09735	4.3
187.11292	67.2
188.11702	2.4
189.09198	7.3
190.02757	2.9
190.06377	10.2
190.09995	13.7
190.99870	2.6
191.03535	2.6
203.10909	1.9
205.08797	8.1
205.12347	41.6
206.12585	2.2
219.02980	15.1
231.02972	2.5
231.10228	13.3
249.11308	28.8
250.11623	2.1
250.30067	1.9
278.08020	6.9
293.03229	8.0
293.10489	47.4
293.13904	4.3
293.17322	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	293.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
69.13445	2.4
71.01347	0.4
75.39775	0.4
75.89594	0.3
84.03098	0.3
87.00928	0.4
89.03975	0.5
98.22723	0.8
109.02951	0.6
117.03489	1.1
118.04265	11.5
119.05058	0.7
133.02960	0.6
134.03770	4.3
135.04517	0.5
147.04483	0.8
148.48430	0.3
161.02467	1.9
162.03241	10.2
163.03949	1.3
175.04012	7.5
176.01205	1.3
176.04384	0.4
177.01987	0.6
189.01953	21.8
190.02731	80.0
191.03494	25.6
192.00784	0.5
192.03896	0.8
201.01933	2.5
204.00554	0.5
205.01436	1.7
205.05070	4.6
219.03001	43.9
220.03406	1.2
222.01718	5.6
234.38019	0.4
243.06601	0.9
245.04523	1.9
260.06949	0.7
261.07690	1.6
278.07968	60.8
279.08365	3.2
293.10339	100.0
294.10693	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	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.8
55.84268	0.7
56.30547	0.6
57.03443	1.2
58.00588	0.9
59.01385	69.9
61.98821	1.3
68.34829	0.7
69.03460	2.1
71.01387	31.1
71.09690	0.9
72.99290	0.8
73.02934	1.8
83.01400	2.1
85.02953	6.9
85.06596	18.1
87.00890	2.2
88.50609	0.8
89.02455	26.2
90.80933	0.7
95.01397	1.5
99.00897	0.9
100.00434	1.7
100.08447	0.9
101.02456	19.2
113.02460	13.8
113.06120	5.3
115.07659	2.4
119.03526	12.9
127.07634	2.3
131.03514	2.6
131.07156	66.1
132.07491	1.7
133.02945	2.1
133.05096	1.0
135.04564	0.9
148.06328	1.9
149.04564	0.8
149.06076	0.7
161.04579	1.5
163.04012	0.8
173.08177	2.1
179.05577	1.5
189.97214	0.7
193.10406	0.7
219.03046	1.5
293.08853	10.6
293.12424	100.0
294.12857	4.7
304.09360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69944	0.6
54.63559	0.5
55.01882	1.3
57.03452	1.3
58.00591	1.1
58.01204	0.6
59.01386	70.4
69.03463	3.3
69.58002	1.6
69.58393	1.0
71.01390	27.8
72.99296	0.8
73.02943	1.8
82.02921	0.9
83.01390	3.2
85.02457	0.9
85.02956	7.6
85.06599	15.8
87.00893	2.9
87.04491	0.8
89.02454	33.4
95.01385	2.1
97.02991	0.8
98.22614	0.8
99.00897	0.7
101.02453	20.8
107.05032	0.9
111.08043	0.6
113.02461	19.2
113.06103	4.5
115.07654	2.2
119.03514	14.1
127.07681	1.5
130.08728	1.4
131.03506	2.5
131.07159	58.5
132.07489	1.8
133.05087	1.2
143.03531	1.5
149.04617	0.8
161.04584	1.6
173.08177	1.8
179.05640	1.3
211.62123	0.6
293.08810	23.5
293.12415	100.0
293.15128	3.5
294.09576	0.9
294.12753	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.5
71.01385	6.6
71.11425	0.3
71.11781	0.3
80.80428	0.2
128.57411	0.2
143.79778	0.2
148.05321	1.2
148.92638	0.2
164.08430	1.6
177.09224	5.2
190.09969	0.5
191.10832	0.2
192.11584	7.0
193.12233	0.6
205.12338	6.9
206.12688	0.4
207.14015	0.4
210.73003	0.3
217.08652	0.5
218.09483	1.8
220.14694	45.3
221.15465	100.0
222.13683	0.3
222.15804	5.0
235.13489	0.2
236.10548	63.7
237.10912	3.6
293.17609	7.2
293.20801	0.2
294.17957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
67.41914	0.3
69.17079	2.7
69.17371	0.6
70.76785	0.4
71.01385	1.1
79.95748	2.5
92.91918	0.5
95.95272	0.5
96.96019	100.0
113.02528	0.5
119.03535	0.5
129.80659	0.4
192.11574	0.5
209.93945	0.5
219.02991	0.5
220.14713	1.5
221.15475	3.6
236.10558	2.3
293.08887	1.3
293.17963	76.5
293.21118	5.7
294.18228	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	293.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.6
70.52128	1.0
71.01399	2.9
79.95745	2.7
80.20145	0.4
89.02450	1.0
95.95281	0.7
96.96021	100.0
99.00980	0.5
101.02449	0.9
113.02450	0.9
119.39410	0.5
122.78519	0.4
136.08934	1.0
145.04332	0.5
177.09222	1.1
192.11627	1.4
193.15999	2.4
205.12511	0.9
220.14706	5.7
221.15482	12.0
222.15828	0.6
236.10579	9.2
240.64565	0.5
249.18851	1.1
293.08865	2.3
293.17947	74.2
294.18243	4.4
309.32877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01372	5.6
60.00842	1.8
60.02070	1.7
70.90247	2.2
100.47150	1.8
102.88194	1.7
121.10252	54.2
121.97075	1.9
171.10281	93.1
177.16635	3.6
183.13896	4.3
185.11833	4.8
221.15581	2.1
231.21184	5.0
275.20172	100.0
276.20444	4.6
293.21259	73.8
294.21442	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	293.2125
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
55.65250	0.8
56.59204	0.7
59.01381	1.3
69.65110	2.0
95.06263	0.7
96.30365	0.7
121.10259	1.5
132.70059	0.7
151.16438	0.7
171.10292	1.8
179.10767	1.0
179.14441	1.8
195.13916	15.8
196.14651	2.9
203.07816	0.8
205.12325	1.2
205.15948	1.1
223.13412	12.6
224.14165	2.3
256.13135	4.4
275.20172	12.3
293.21249	100.0
294.21524	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
58.48335	0.6
59.01387	4.5
61.98841	1.5
69.10223	3.8
71.01386	2.4
71.05035	0.8
72.49594	0.5
89.02438	1.6
98.22650	1.1
106.48523	0.5
113.02454	1.5
119.03618	0.5
123.08148	1.3
136.08969	0.9
139.11322	1.1
140.18335	0.6
151.11267	2.4
153.12830	1.0
169.12378	2.7
187.42526	0.6
192.11591	1.5
193.15919	3.1
197.11845	33.2
198.12238	1.0
205.12219	1.0
220.14720	4.0
221.15523	7.0
231.21179	1.5
236.10561	6.2
241.23738	0.6
249.18544	1.0
249.22292	0.7
275.20169	16.6
293.08768	2.5
293.21249	100.0
294.21582	5.9
303.77643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31458	1.4
57.03444	1.7
59.01390	15.8
61.50592	1.4
68.10627	1.3
69.03430	1.6
69.20236	6.0
71.01392	7.5
79.89475	1.3
83.05022	1.4
83.46150	1.5
89.02453	4.7
94.74757	1.5
95.05053	1.6
96.96016	1.8
101.02477	1.8
113.02473	2.5
119.03473	1.7
135.11821	19.8
136.08954	6.7
157.08730	49.0
165.09215	2.4
177.09227	4.8
177.16516	1.5
192.11575	7.4
193.12314	1.6
193.15996	12.9
198.73392	1.5
205.12143	1.5
209.15509	4.1
220.14661	11.2
221.15482	31.1
231.21246	6.2
233.15512	2.6
236.10574	19.6
237.11320	2.9
249.18636	40.1
250.19012	1.8
273.74338	1.5
275.20187	72.1
276.20554	3.0
293.08768	6.2
293.17712	20.4
293.21228	100.0
294.21509	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	293.2125
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
59.01375	1.4
62.77445	0.5
69.22993	3.3
71.01385	1.0
71.04990	0.5
72.79240	0.4
81.03460	1.4
89.02486	0.5
94.09447	0.5
98.22634	1.0
101.02472	0.6
101.03897	0.5
114.74352	0.5
131.03555	0.8
139.36502	0.5
149.09792	0.5
171.10368	1.1
179.14479	0.5
181.15959	0.8
191.14470	0.9
191.96448	0.5
193.16034	1.3
220.14696	1.6
221.15486	3.5
223.13484	0.6
225.15013	1.3
236.10545	2.1
237.00912	0.5
249.22281	0.8
275.20065	1.3
293.09009	1.1
293.21249	100.0
294.21606	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23955	0.4
57.03444	1.6
63.83280	0.4
64.03885	0.4
70.01151	0.6
70.01479	0.7
97.06596	2.0
123.08186	1.1
125.09737	4.9
141.12860	1.4
141.97374	0.4
149.09711	2.0
167.14436	0.6
183.60614	0.5
185.11838	11.4
197.11888	3.3
197.13405	0.6
211.13368	0.5
213.96059	0.4
221.15436	0.5
247.13292	0.5
249.22263	0.9
275.20392	0.6
293.21249	100.0
294.21576	7.6
303.92804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
67.44467	0.7
69.66991	1.7
69.67390	1.4
71.01384	1.2
74.23929	0.7
113.98133	0.8
167.10800	1.4
178.63870	0.8
193.16075	1.3
207.13945	1.0
209.15474	1.2
220.14754	1.2
221.15520	2.5
231.21260	3.1
236.10498	1.3
249.22108	0.9
263.17444	1.1
263.20181	16.1
275.20181	41.8
276.20566	2.3
293.21246	100.0
294.21573	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01387	17.3
61.98829	3.3
69.03456	2.4
70.56969	2.7
71.01400	8.9
87.00887	2.1
89.02435	6.1
96.96006	3.4
101.02470	4.4
113.02456	5.5
119.03494	2.9
121.10246	25.5
136.08954	2.0
145.02657	1.5
148.72824	1.7
171.10287	39.9
185.11740	2.3
192.11726	3.5
193.12309	5.8
193.16000	5.4
195.13965	8.3
199.93787	1.7
205.12395	2.2
220.14697	11.4
221.15492	19.4
223.13376	6.5
231.21204	4.5
236.10577	15.7
251.13371	1.8
275.17181	3.6
275.20172	61.9
276.20578	3.0
293.08786	11.4
293.17816	8.7
293.21213	100.0
294.21503	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
59.01370	4.1
66.91946	0.9
69.03485	1.0
70.51203	1.0
70.51579	2.0
71.01376	2.0
71.05016	4.3
73.12917	0.9
78.07922	0.9
81.12682	0.9
83.73273	1.0
85.14951	0.9
87.17467	1.0
89.02459	1.3
97.06611	1.1
130.63490	1.0
148.06764	1.1
169.12259	0.9
209.15482	2.9
220.14761	1.4
221.15503	4.1
223.17111	4.6
231.21213	2.5
235.17053	37.6
236.10619	1.3
236.17241	2.2
269.82858	1.1
275.20187	36.8
276.20447	2.6
293.08917	20.3
293.21252	100.0
294.09320	1.3
294.21564	6.3
301.98181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.9
59.01381	2.4
71.25697	1.2
73.87753	0.7
97.06594	1.0
113.09731	17.4
121.10242	9.5
125.09752	1.2
127.69119	0.7
139.11272	2.0
167.10768	2.2
171.10281	14.6
172.10651	0.8
179.10846	1.7
183.10364	0.9
185.11848	1.8
195.13857	2.7
221.15541	1.7
231.21217	1.9
235.17058	1.2
238.06017	0.7
249.22308	2.3
267.70898	0.7
275.20166	20.3
275.97034	0.9
276.20529	1.8
293.21246	100.0
294.21622	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40729	0.5
51.09120	0.6
53.67838	0.5
57.03456	4.3
58.99715	0.6
59.01398	3.7
61.98824	0.9
63.35509	0.6
69.03457	0.6
71.01379	1.1
74.53497	0.6
75.86990	0.7
85.06602	0.8
89.02451	0.7
96.96015	0.9
97.06570	0.6
101.02465	0.6
109.06586	0.9
113.09007	1.1
113.09738	13.5
121.10245	1.4
125.09723	0.6
136.08939	0.6
137.09750	2.0
139.11290	2.0
149.09660	0.8
153.12874	1.1
167.10852	1.3
171.10263	3.0
177.12845	0.7
179.10765	1.1
180.40007	0.5
183.13893	3.4
192.11584	1.5
193.12302	1.0
193.15991	1.7
195.13931	3.1
210.52710	0.5
211.13422	0.8
220.14684	2.9
221.13721	0.7
221.15518	6.4
223.13501	1.0
231.21103	0.6
236.10629	4.2
237.10825	0.6
249.18570	0.6
249.22250	2.5
275.20218	6.0
293.08954	5.6
293.21243	100.0
294.21594	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79440	0.9
57.03452	4.4
59.01374	1.8
61.98804	1.0
62.41293	0.7
69.65934	3.3
71.01408	0.8
81.03468	7.6
83.05032	46.7
97.06573	1.0
99.08173	15.1
125.06101	6.0
129.05600	1.0
143.07149	8.6
155.07161	3.5
191.14430	3.6
200.81660	1.0
204.10728	0.9
209.15411	1.2
220.14714	1.8
221.15442	3.5
231.21049	1.9
236.10551	2.1
249.22334	3.2
275.20142	8.4
293.21243	100.0
294.21594	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.1
59.01384	7.2
61.98826	3.0
69.69771	4.3
71.01382	3.3
86.05980	1.0
89.02457	3.0
97.06586	1.3
100.89257	1.0
101.02479	0.9
113.02458	2.2
113.09727	5.7
116.42381	0.9
118.13496	0.9
121.10233	2.2
125.09749	3.7
131.03525	0.9
141.12936	1.6
149.09691	1.7
156.13979	1.3
157.14253	1.5
167.06242	2.0
171.10246	3.8
177.09152	1.6
185.11858	6.3
192.11581	2.3
193.15999	1.1
197.11862	1.2
205.12329	2.4
218.09477	1.3
220.14671	11.6
221.15477	28.3
222.15807	2.0
236.10548	19.8
237.10927	1.6
244.71815	1.0
251.13094	2.0
275.20157	5.8
293.08856	4.7
293.18018	4.1
293.21243	100.0
294.21591	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	293.249
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
50.35333	1.3
53.96375	1.2
55.22296	1.4
57.99446	1.3
61.98822	1.6
62.09840	1.2
71.19090	1.2
72.34414	1.3
79.95781	1.5
87.53721	1.3
96.96024	20.1
100.31480	1.2
133.52791	1.1
192.11537	1.5
193.16017	1.7
205.12349	1.3
220.14659	4.7
221.15500	9.8
222.15973	1.6
227.21295	1.2
236.10507	5.4
265.25745	1.5
293.17963	16.6
293.24875	100.0
294.25153	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	294.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19084	0.5
59.01359	1.0
61.24108	0.5
70.41774	1.2
72.71053	0.5
81.36295	0.5
91.01897	1.4
101.29080	0.6
112.21696	0.6
123.23264	0.6
127.19887	0.7
135.00903	1.0
146.02383	0.8
153.01869	0.6
158.02408	0.6
167.05077	4.1
173.02370	1.6
181.65807	0.6
183.04530	3.2
186.01968	0.7
194.06093	0.8
195.04533	8.1
198.03307	1.1
199.04025	2.7
201.81796	0.6
205.05324	1.3
206.06119	1.5
208.04051	0.7
210.03162	0.8
211.02092	1.1
211.04019	16.1
212.04303	0.7
221.04750	1.1
222.03418	1.3
222.05585	3.3
223.04028	13.1
224.03978	1.0
238.02820	0.8
239.03516	36.6
240.03804	2.1
250.02724	1.0
250.05081	7.5
266.02188	16.1
266.04712	3.0
267.02991	81.7
268.03317	5.1
294.04114	100.0
295.04626	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	294.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69665	0.4
53.58265	0.3
55.14264	0.4
56.52056	0.4
59.01370	0.9
61.98813	0.6
69.48763	0.4
71.04722	0.5
85.02919	0.4
89.02395	0.5
91.70943	0.3
146.02396	0.4
163.04013	0.5
167.05034	3.1
173.02432	1.9
183.04527	3.2
186.01968	0.5
194.06082	0.7
195.04524	8.3
197.02286	0.5
199.04013	0.5
205.05310	1.7
206.06114	2.0
208.03973	0.6
211.04016	12.3
211.06009	0.7
212.04301	0.6
213.05569	0.7
221.04669	0.8
222.03207	1.3
222.05525	1.0
223.04022	13.0
224.03984	0.6
233.04791	1.3
238.02806	1.0
239.03523	17.4
240.03960	0.8
246.22368	0.4
249.04369	0.6
250.02719	1.0
250.05087	10.4
251.03455	0.6
266.02206	16.2
266.04630	0.8
267.02991	61.3
268.03253	3.5
294.04117	100.0
295.04614	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	294.0776
Annotation	Goniothalactam
Peak:m/z	Relative Intensity
52.24214	0.2
54.09285	0.2
59.01395	0.2
61.98829	0.6
68.17297	0.2
70.97711	0.3
74.63639	0.2
114.45062	0.2
118.03001	23.3
119.03328	1.0
121.02956	0.5
124.22285	0.2
124.23207	0.2
133.02969	11.1
134.03334	0.3
135.97009	0.2
138.27625	0.2
139.63710	0.2
146.02493	100.0
147.02841	2.8
152.51929	0.2
161.04793	0.2
171.13321	0.2
174.01955	0.5
218.06140	0.6
223.04620	0.2
223.06395	6.4
234.05615	11.6
235.05969	0.7
236.07161	0.3
251.05893	7.3
252.06216	0.4
262.05066	3.8
263.05591	0.4
266.08243	2.0
294.07742	34.7
295.08057	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	294.0988
Annotation	Indican
Peak:m/z	Relative Intensity
50.55912	0.5
51.06259	0.5
57.03441	0.7
59.01382	3.9
69.82816	1.8
71.01376	0.9
72.99320	1.0
74.99111	0.9
79.50893	0.7
83.05035	16.5
87.00893	2.1
88.03034	0.5
89.02410	0.6
101.02477	0.7
103.00401	0.7
112.98868	0.7
119.05043	10.6
121.06603	1.1
122.03740	1.9
128.18896	0.5
131.03772	1.4
132.04573	100.0
133.01424	0.7
133.04912	2.8
135.04524	1.2
136.05011	0.6
137.02509	0.6
137.06142	1.3
149.00943	9.4
158.07285	1.3
161.02473	0.8
161.09784	0.8
162.02826	1.4
163.04019	14.5
163.07686	0.6
164.04379	0.9
165.16104	0.6
174.02704	0.6
185.09729	1.1
188.08446	2.2
192.03903	0.9
203.10789	9.1
220.03366	2.5
221.11867	0.7
233.11856	0.9
244.78194	0.6
294.03455	2.1
294.10809	1.1
295.11917	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0251
Annotation	Medicagol
Peak:m/z	Relative Intensity
53.74656	0.4
55.31021	0.3
83.12093	0.4
107.05152	0.4
110.21423	0.4
142.98970	0.4
167.05034	2.0
171.76675	0.4
179.05070	0.9
183.04469	1.1
195.04526	3.9
196.41837	0.3
202.06960	0.5
207.04507	0.6
211.04025	1.7
213.05582	0.6
222.03264	2.0
223.04019	7.1
225.01909	0.4
226.02835	0.9
227.03513	0.6
239.03499	3.6
241.73912	0.4
250.02580	1.8
251.03403	2.1
261.51990	0.4
266.02213	2.3
267.03012	2.5
283.83383	0.4
294.01743	7.3
295.02499	100.0
296.02844	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	295.0462
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
57.03459	0.9
59.01385	10.4
62.47339	0.9
69.03432	1.0
69.62963	4.2
71.01412	2.0
72.99314	2.8
83.05037	27.1
83.40053	1.0
84.95383	0.9
84.99337	0.9
87.00896	10.6
98.50745	0.9
103.00387	3.8
112.98793	6.3
115.00356	1.6
118.74356	1.1
119.05037	64.3
120.05415	1.4
121.06634	1.0
122.03736	3.4
133.01466	4.2
133.02939	1.3
136.05293	1.4
137.06076	3.4
149.00931	26.0
161.09743	1.8
163.04025	100.0
164.04430	2.3
173.06226	1.1
173.09909	1.0
185.09676	1.9
188.08485	4.6
203.10773	17.1
212.58098	0.9
221.11880	2.1
233.11794	1.5
240.45157	1.0
295.04828	1.6
295.11926	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	295.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.1
64.18891	0.5
67.97367	0.5
69.74104	1.5
71.01391	1.6
72.99313	1.3
83.05025	1.7
87.00881	10.2
89.02471	1.1
93.03493	0.6
98.22597	0.7
101.02471	1.0
103.00368	3.9
112.98829	7.0
119.05040	66.9
120.05390	2.5
121.04400	0.5
121.06520	0.5
130.99843	0.6
137.91626	0.6
149.00932	12.6
149.02068	1.0
163.04027	100.0
164.04359	3.5
203.10780	1.0
295.04681	1.0
295.10321	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	295.0461
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
54.78497	0.8
59.01381	20.5
61.01804	1.5
70.55514	1.4
71.01390	4.1
72.99313	2.9
77.22081	0.8
83.05022	4.5
84.99335	0.8
85.02959	1.2
87.00883	11.6
89.02450	3.3
101.02472	2.1
102.02812	0.9
103.00394	4.1
112.98826	5.9
113.02435	1.5
115.04015	0.9
119.03618	1.8
119.05038	65.2
120.05415	2.1
149.00932	27.5
149.07973	0.7
151.19032	0.9
152.13309	0.8
163.04022	100.0
164.04381	3.0
167.61279	0.9
199.69028	0.8
203.10812	2.5
248.18690	0.9
262.77505	0.8
295.09097	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	295.0727
Annotation	3,3'-Dimethoxybenzidine-4,4'-diisocyanate
Peak:m/z	Relative Intensity
54.60810	0.3
59.01373	0.6
65.72642	0.3
65.73037	0.4
69.10748	0.8
69.11154	1.6
76.54156	0.3
96.96019	0.4
99.86109	0.3
119.05048	0.7
125.64594	0.3
163.03992	1.4
177.05882	0.5
178.06615	0.5
190.06688	0.5
197.06111	0.5
205.05379	2.9
208.04100	0.7
222.05556	0.9
224.07181	1.3
233.04909	2.1
234.05618	58.5
235.05975	3.4
237.04364	0.5
238.94788	0.3
246.07310	0.4
251.05847	0.8
252.06689	15.3
253.07004	0.8
277.06201	35.2
278.06500	2.4
295.07260	100.0
296.07593	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	295.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05550	0.6
54.13224	0.6
59.01382	7.9
65.00310	1.8
67.01881	1.0
71.01358	1.1
71.43976	0.7
72.95053	0.5
79.05518	0.8
80.90467	0.6
81.03471	3.1
85.02946	0.6
88.93257	0.6
89.70578	0.5
91.54157	0.5
93.03444	2.6
95.01423	4.1
96.96000	1.8
97.02938	1.3
108.02147	0.7
109.02956	6.3
111.00902	0.6
115.04016	2.9
119.05016	1.0
120.99340	3.4
121.02971	4.5
121.06571	1.5
122.00105	5.2
123.00944	2.8
123.04541	3.1
125.02438	0.8
131.04991	1.1
134.03745	1.2
134.06068	1.4
135.04570	0.7
137.02458	42.1
137.99571	1.2
138.02834	1.1
139.00316	1.2
147.04456	0.8
149.02495	3.3
149.06129	3.8
150.03157	0.7
153.01959	1.6
153.05569	3.9
155.03523	10.0
160.04077	0.7
162.03186	1.2
163.04045	4.2
163.07655	1.8
165.05576	0.7
170.80721	0.6
175.03908	1.0
177.01982	0.6
177.05577	2.2
179.03603	0.6
181.01451	38.3
182.02023	2.4
191.10774	1.1
193.01215	0.5
193.04985	1.9
196.03806	1.6
197.04576	7.9
203.10756	0.7
217.78319	0.5
221.04575	3.2
224.78987	0.6
232.78625	0.5
235.09761	3.5
236.06926	2.8
237.04086	4.7
252.06740	1.1
253.10852	13.3
265.03549	77.0
266.03799	2.6
279.05176	1.9
280.05908	92.0
281.06284	4.6
295.08255	100.0
296.08536	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	295.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43433	0.3
68.99825	6.9
70.00138	0.4
70.15828	0.3
80.02681	2.2
81.03468	1.5
92.82483	0.3
109.02921	0.6
109.06565	0.5
122.03798	1.8
135.04616	0.5
148.05333	0.6
149.02463	1.6
149.09731	10.3
150.03238	20.1
151.03911	1.3
161.06189	0.7
163.03972	0.4
163.07669	1.0
164.01416	0.3
165.02907	0.3
175.04095	0.6
175.07642	1.7
175.11282	0.7
177.09291	0.5
182.02235	2.9
189.58788	0.4
191.10808	2.5
201.09085	0.7
203.07137	0.8
204.07918	5.1
219.10268	100.0
220.10593	5.4
263.09253	10.0
264.09583	0.6
295.11899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.03475	1.1
69.27237	5.4
71.01385	8.2
72.99312	1.7
73.02985	1.1
80.96525	1.2
83.05053	2.3
85.02916	2.2
89.02467	1.8
96.95994	1.3
101.02471	3.4
112.98837	1.1
113.02460	2.3
115.00391	5.3
119.05024	5.5
123.04535	2.1
133.01457	14.9
133.02992	2.5
135.04572	3.5
145.06462	1.2
148.04074	2.2
149.01015	1.8
149.02396	1.8
161.02437	3.3
161.04607	1.2
163.04027	8.8
175.11221	1.0
176.04747	1.1
177.05577	1.1
179.03482	3.5
194.49211	1.0
203.10776	4.0
214.04822	2.1
214.54837	1.3
235.11877	3.0
236.06003	1.0
265.62711	1.0
295.08655	1.9
295.12427	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	295.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38862	0.4
59.01384	15.5
64.75724	0.4
68.03708	0.4
68.54912	0.4
71.23098	0.4
71.46043	0.5
71.85167	0.4
83.86569	0.4
99.92604	2.6
161.17163	0.4
183.13911	16.6
184.14256	0.9
195.13921	14.2
201.59320	0.4
211.13428	0.8
213.14978	100.0
214.15288	4.9
223.13205	3.6
235.13177	3.2
237.11168	0.5
251.14902	0.6
251.82590	0.5
265.12994	0.7
267.12195	0.8
267.14798	0.5
278.06302	0.8
279.12485	0.5
294.01834	0.7
295.02530	8.3
295.15277	8.5
296.07410	1.2
296.15445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03450	0.8
71.03350	0.7
72.45732	0.3
83.05032	4.6
85.06593	3.1
99.08157	2.9
111.04523	3.0
129.05592	25.3
130.05962	0.6
154.66769	0.4
166.91611	0.4
171.10248	2.9
185.78679	0.4
277.21750	9.4
278.22278	0.5
293.21310	1.1
295.22803	100.0
296.23129	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03457	1.0
59.01384	2.5
62.65064	0.5
68.07205	0.4
70.90543	0.8
95.60784	0.5
110.54480	0.4
111.49455	0.5
113.09736	3.6
121.77740	0.4
130.21263	0.5
163.96819	0.5
177.12918	0.5
179.14430	1.4
181.12392	0.8
183.13857	3.5
187.49879	0.6
195.13914	26.7
196.14285	0.8
198.20337	0.5
243.55328	0.6
277.21744	24.4
278.22052	1.3
295.22797	100.0
296.23126	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
66.91943	0.3
69.76424	0.7
71.01367	0.3
76.89130	0.3
83.05045	0.5
229.99924	0.2
249.22118	0.3
265.21729	1.3
277.21732	3.7
293.21216	0.7
295.22787	100.0
296.23141	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
50.73088	0.3
59.78377	0.3
60.42461	0.3
69.25058	1.8
71.01402	0.4
83.98084	0.3
88.80748	0.4
98.21925	0.7
111.08242	0.3
164.54114	0.3
180.97581	0.3
265.21753	1.7
277.21756	4.1
278.22150	0.3
293.21182	0.5
295.22800	100.0
296.23163	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03455	1.1
59.01379	2.1
69.10339	2.1
69.10741	1.2
76.82287	0.4
91.10226	0.4
98.21883	0.9
113.09741	3.1
179.14461	1.2
181.12386	0.8
195.13913	19.3
196.14247	1.3
249.22200	0.5
251.23772	0.4
264.79562	0.4
277.18704	1.0
277.21744	19.9
278.22018	1.5
288.83249	0.4
290.11932	0.5
295.22800	100.0
296.19983	0.6
296.23169	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	295.2281
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
53.10308	0.8
57.03434	2.2
59.01378	1.5
66.85896	0.8
68.51929	1.0
87.17954	1.1
104.79903	0.9
113.09747	4.1
166.25175	0.9
179.14403	2.1
181.12398	1.1
277.21848	1.6
295.22803	100.0
296.23120	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	295.228
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.54689	1.4
59.01383	2.1
59.03397	1.3
64.27477	1.5
68.28038	1.4
69.34452	7.6
77.39752	1.5
78.02192	1.4
94.16975	1.4
98.95605	3.2
141.12845	7.1
155.14407	3.7
226.80075	1.7
249.22289	8.7
259.38843	1.6
295.22806	100.0
296.23105	6.1
313.36713	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	295.2281
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
53.35283	0.7
59.01376	2.7
67.53680	0.7
69.80665	0.8
69.80981	1.3
76.03138	0.6
82.25403	0.7
82.38708	0.8
82.52025	0.7
83.05038	0.8
112.56603	0.7
113.04002	0.8
113.09748	0.9
157.08719	12.1
183.13887	2.1
184.99356	0.9
195.13924	25.5
196.14252	1.6
209.15492	9.5
225.15041	1.6
233.22685	1.0
249.51041	0.7
277.21750	46.7
278.22110	2.5
295.22797	100.0
296.23083	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03436	1.4
59.01369	2.1
59.12685	0.9
65.52611	0.9
71.08268	1.1
99.08156	1.6
116.06672	0.9
125.09721	2.0
127.11234	1.8
141.12936	1.1
150.05920	1.0
155.10797	1.1
171.10284	58.0
172.10631	2.1
183.10257	3.4
185.48605	0.9
195.13847	2.0
277.21756	74.8
278.22168	4.3
295.22806	100.0
296.23062	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03446	1.0
59.01385	1.3
60.64211	0.6
66.76717	0.6
68.85850	0.6
70.74239	1.2
71.50516	0.6
115.06220	0.6
117.12682	0.6
117.82058	0.6
125.09735	0.7
127.11259	0.7
141.12856	1.2
171.10284	39.4
172.10628	1.1
183.10274	1.4
195.13834	0.8
232.62354	0.8
277.21750	49.4
278.22055	4.3
295.22803	100.0
296.23090	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
58.90417	2.7
59.01379	6.0
61.98825	5.2
63.58555	2.5
69.79792	9.5
71.04337	3.0
83.50675	2.7
89.02473	2.9
92.36673	2.6
105.11571	3.1
170.42929	2.6
175.18031	2.9
188.55217	2.6
209.15421	13.8
213.91507	3.9
223.17075	36.6
224.17403	2.9
259.71741	2.5
277.21744	33.3
284.81439	3.1
295.02228	3.4
295.22784	100.0
296.23035	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	296.093
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42688	2.4
109.39881	1.8
113.82695	1.7
118.03014	5.9
121.02982	15.9
131.03804	3.5
132.04573	21.0
133.02977	16.8
202.05104	18.5
208.07607	2.3
218.06126	46.9
236.07187	100.0
237.07446	7.9
243.65366	1.9
262.05173	3.5
264.06671	67.4
265.06912	4.3
278.08200	5.2
296.09143	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	296.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28856	0.8
73.93942	0.8
98.21799	1.8
155.10765	1.8
156.11130	1.4
171.10284	11.6
172.10634	13.5
183.01196	1.0
183.10246	4.7
184.10562	6.6
196.14261	1.5
232.73521	0.9
274.55289	0.8
278.22067	34.8
296.23138	100.0
297.15274	1.8
297.23712	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	297.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60334	2.7
58.72628	2.6
59.01385	48.1
61.47232	2.6
69.57565	10.3
71.01385	30.2
72.09959	2.6
72.99304	16.9
73.02952	6.5
75.00867	6.7
78.95907	7.9
83.01390	4.0
83.05029	51.6
85.02944	7.6
87.00869	4.3
89.02448	23.6
101.02447	19.6
105.01942	100.0
109.06634	3.3
112.98817	6.1
113.02457	11.3
117.00490	4.3
117.05585	3.5
119.03484	12.7
119.05019	10.0
121.05654	4.7
122.72437	3.1
126.98912	3.2
128.03572	4.8
135.06618	6.9
135.08125	5.3
147.08113	5.3
149.00990	3.6
151.01318	4.0
153.05580	14.9
157.64465	2.7
161.04623	5.4
163.03992	11.1
164.04387	4.0
165.04532	8.5
169.10248	3.3
172.99454	3.9
179.05637	6.8
187.11279	9.6
189.99884	2.7
205.12318	12.8
208.99828	2.8
214.96475	2.9
223.35115	3.0
235.13440	14.7
296.99490	4.6
297.08304	4.9
297.13690	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41515	0.3
59.01389	2.4
66.53458	0.3
69.08306	0.3
69.32131	0.3
71.01373	0.9
72.99328	1.0
73.02961	0.4
75.00882	21.3
87.00887	7.7
89.02455	1.0
91.89081	0.3
96.96059	0.4
117.01958	2.6
133.02966	1.0
134.03732	0.9
134.04765	1.3
135.03018	100.0
135.04491	12.5
136.03340	1.1
161.02475	2.6
178.79808	0.3
179.02023	0.6
179.03508	6.4
179.05086	0.3
188.25537	0.3
230.09843	0.3
297.06171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00980	0.3
54.40443	0.4
54.79351	0.4
59.01390	4.9
69.03445	0.4
70.02995	0.4
71.01418	0.3
73.02972	0.4
77.90107	0.4
80.23744	0.3
93.03469	3.5
97.03987	0.3
98.22696	0.9
103.12402	0.3
109.02982	0.6
120.04555	5.8
121.02973	0.6
123.04562	0.5
126.97166	0.4
132.98242	0.8
144.98228	0.6
146.02530	1.0
147.03320	2.0
148.04065	100.0
149.04408	3.7
160.04066	3.8
174.99249	3.5
186.99239	1.0
189.00836	0.5
193.06558	0.7
198.99242	1.3
201.00819	1.5
208.07698	1.4
210.05699	0.5
215.02368	0.5
224.07233	1.1
234.05592	1.4
236.07196	1.3
250.05063	1.0
252.06670	8.6
253.03964	1.3
254.08299	1.0
255.05565	4.5
268.05835	0.4
269.07004	0.8
271.08585	2.5
280.06183	18.4
281.06506	1.0
296.99011	0.8
297.06503	18.9
297.17151	0.8
298.06860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16184	1.7
55.74487	1.6
59.01382	7.4
69.10339	9.3
69.10742	4.4
71.01398	2.6
87.00885	7.3
93.03467	5.5
96.96001	3.5
109.02941	4.3
114.05578	5.4
118.03008	7.3
119.04977	2.1
121.02961	12.2
123.04522	3.5
134.04724	6.2
135.03032	30.2
135.04431	9.6
137.02480	1.7
143.39906	1.7
146.02496	100.0
147.03305	28.3
148.04085	14.3
149.02484	2.5
151.04028	7.9
161.03589	7.2
165.07042	3.0
181.05086	2.8
181.06561	2.4
185.06110	2.1
194.06184	1.9
208.05443	2.5
208.07680	5.1
209.06100	13.6
218.06171	7.6
221.04738	2.1
225.05568	3.3
227.07159	26.3
236.07233	14.4
252.06688	38.6
254.08234	11.7
270.07706	5.4
279.07697	4.0
297.09415	15.4
297.24359	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	297.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.9
70.30304	6.4
78.50986	2.9
86.64966	2.8
93.03451	4.4
96.96037	5.5
101.96307	3.0
109.02966	10.8
114.05618	6.7
118.03024	4.6
121.02970	19.7
135.04541	8.8
137.02437	5.3
142.65605	2.8
146.02505	81.9
146.03606	3.7
147.03291	28.6
148.04060	37.4
160.04062	4.1
161.03503	14.2
165.07155	4.4
166.06630	3.5
166.61617	3.5
181.06606	4.8
184.07620	4.9
184.48671	3.0
185.06117	6.5
194.06229	5.0
208.05455	6.5
208.07674	13.9
209.06104	44.2
210.05664	10.5
211.04047	3.7
218.06059	15.7
221.04755	4.5
225.05627	6.7
227.07120	40.7
234.05582	5.2
236.07175	31.1
252.06688	100.0
252.09297	5.1
253.07146	5.4
254.08191	16.1
270.07715	19.3
279.07721	12.4
280.06247	3.9
297.08844	17.2
297.24274	11.1
298.09375	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	297.1195
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01889	2.4
57.03444	3.4
59.01386	100.0
66.43404	1.6
69.31173	6.1
71.01391	60.5
71.76167	1.3
72.01733	1.6
72.99311	4.2
73.02959	7.7
75.00868	7.1
81.03461	1.6
83.01412	3.9
83.05033	16.8
85.02960	13.8
87.00880	4.3
89.02456	51.5
91.94141	1.3
95.01397	3.5
99.00916	2.7
101.02464	36.6
105.01952	20.2
112.98837	1.5
113.02453	22.7
115.04049	3.0
117.05618	2.6
119.03514	23.6
119.05038	4.3
121.05702	1.8
131.03526	2.6
135.04524	4.1
135.06662	23.0
143.03519	5.0
149.00974	1.9
151.01399	2.8
153.05591	5.8
159.38434	1.4
161.04561	11.1
163.04016	2.8
165.04527	1.4
172.99403	2.2
179.05643	12.5
187.11307	3.4
197.03162	1.6
199.00919	1.4
203.07288	1.5
205.12344	4.7
217.84169	1.4
235.13463	4.4
259.37000	1.7
297.08350	7.8
297.12094	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03444	2.7
58.00583	1.0
59.01384	100.0
60.01714	1.1
60.67883	0.9
62.23681	1.1
65.37299	1.0
65.37653	1.0
71.01389	55.3
71.40790	1.1
72.99316	4.6
73.02952	8.5
75.00874	5.5
77.18028	1.0
78.11233	0.9
78.95872	0.9
81.03488	1.0
83.01400	3.8
83.05032	18.7
85.02949	13.4
87.00890	4.3
89.02451	54.5
92.67655	0.9
93.03465	0.9
95.01398	3.9
99.00905	3.2
101.02449	31.8
103.03972	1.3
105.01947	15.7
105.60130	1.0
113.02460	18.1
115.04044	1.6
116.80700	1.0
117.05593	2.5
119.03516	22.9
119.05035	4.2
129.01933	1.2
131.03540	3.2
133.05115	1.1
135.03046	4.8
135.04539	5.1
135.06650	20.2
135.08211	1.6
143.03526	4.3
147.08171	2.5
149.00920	1.1
149.04576	1.3
151.01366	1.5
151.07631	1.8
153.05582	5.8
161.04581	13.2
163.03944	4.7
164.04439	1.9
165.04579	2.4
172.99429	2.4
179.05627	13.1
181.05211	1.3
187.11261	3.9
201.82738	1.1
205.12331	5.7
235.13460	6.7
237.09924	1.2
291.61847	1.2
297.08267	7.6
297.12057	29.5
298.12598	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1344
Annotation	Tehranolide
Peak:m/z	Relative Intensity
51.95167	0.8
52.14840	0.7
55.01872	2.1
56.32368	0.8
57.03453	4.3
59.01384	19.5
64.82842	0.8
69.03467	1.2
69.85466	1.4
69.85789	1.5
71.01392	9.5
72.99326	0.9
73.02959	1.9
75.00864	0.8
80.14075	0.7
81.03476	1.8
83.05034	99.9
84.05366	2.1
85.02950	4.3
87.00854	0.9
89.02454	10.3
89.35329	0.8
95.01407	0.9
98.22569	1.6
101.02461	6.1
105.01958	5.7
107.05041	1.9
109.02999	0.8
109.06604	7.2
111.04552	4.6
113.02474	4.0
119.03539	4.8
119.05080	1.1
121.06540	1.2
123.08147	1.4
133.06648	3.2
135.04573	3.3
135.06635	3.0
135.08186	6.1
136.05373	0.9
147.08194	10.8
149.09735	1.4
151.07651	5.1
153.01991	0.9
153.05592	32.2
154.06148	1.4
157.06679	1.1
161.04591	1.7
161.09795	1.8
163.03929	1.2
163.11304	2.7
169.10301	3.4
171.08159	4.2
172.08990	1.1
175.11366	1.2
179.05617	1.6
185.07607	0.9
187.11299	20.7
188.11621	0.7
190.10121	2.1
191.10844	1.2
193.70525	0.7
197.10033	0.7
205.12375	23.2
209.80003	0.9
235.13412	27.7
236.13654	0.9
246.84021	0.8
297.13525	100.0
298.13782	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	297.1345
Annotation	Tehranolide
Peak:m/z	Relative Intensity
55.01879	0.9
57.03457	3.7
59.01363	0.9
62.73016	0.8
67.87489	0.8
69.03470	1.1
70.73518	1.1
70.73865	1.0
81.03474	2.0
83.05031	95.1
84.05361	2.0
90.52352	0.8
95.05016	1.0
107.05031	1.2
109.06612	6.5
111.04510	5.7
120.05826	1.6
121.06602	1.5
123.08171	1.1
133.06616	1.9
135.04573	1.6
135.08185	6.5
147.08173	8.8
149.09715	1.9
151.07652	4.7
153.05583	30.6
157.06584	0.8
161.09726	1.1
162.55763	0.8
162.89029	1.0
163.11205	1.9
169.10194	4.7
171.08176	3.5
172.09048	1.1
177.12965	1.0
187.11302	17.6
190.10023	1.0
205.12360	22.4
206.12759	1.1
217.12401	0.9
227.04765	0.9
235.11086	2.0
235.13409	27.1
236.13815	1.6
297.13461	100.0
298.13812	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1499
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
53.36978	0.2
53.43295	0.2
55.03877	0.2
61.98809	0.2
69.75047	0.6
77.95994	0.2
87.95033	0.2
130.04256	0.3
145.02966	3.6
146.03775	1.1
169.06601	0.3
173.02422	1.5
174.03238	14.1
175.03596	0.4
178.02672	0.2
183.01239	0.2
183.08191	0.8
184.08989	0.3
187.04005	0.6
206.02190	2.8
213.05589	4.0
214.06168	0.5
214.89687	0.2
227.07178	1.7
228.07930	2.7
264.78372	0.2
297.14975	100.0
297.23413	2.1
298.15326	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	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.71919	1.1
63.65561	1.0
70.97668	1.6
105.22339	1.2
141.31941	1.0
183.01208	14.1
183.13905	17.6
184.02005	3.1
279.23315	6.1
285.59995	1.2
297.15311	30.9
297.24368	100.0
298.24692	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	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.74120	1.8
61.98837	3.8
64.07293	1.7
71.25690	1.9
90.10618	1.7
96.54852	1.6
98.22630	4.4
127.11317	3.1
165.05463	1.8
171.10283	12.9
172.88809	2.2
183.01231	14.7
214.89693	2.5
229.73080	1.8
251.14761	1.6
279.23325	11.5
280.52518	1.7
281.36862	1.8
297.15317	34.7
297.24368	100.0
298.15552	2.0
298.24722	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	297.2439
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01383	0.9
61.98808	1.6
62.19809	0.6
70.32484	1.2
70.32820	1.1
113.09721	1.6
155.10779	1.4
157.08742	5.2
171.10329	0.9
183.01193	5.5
183.13910	19.4
184.01915	0.7
279.23343	11.6
280.23590	1.3
295.22815	0.9
297.15298	10.9
297.24368	100.0
298.15570	0.7
298.24704	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
60.26490	0.2
61.98831	0.5
70.64465	0.3
70.64807	0.2
79.21694	0.2
79.68632	0.2
99.77113	0.2
116.92813	0.2
117.53472	0.2
121.06664	0.2
127.11285	0.6
164.05753	0.2
167.14403	1.9
183.01192	0.9
183.13925	1.7
184.01878	0.2
253.25348	1.2
279.23355	0.5
297.15500	2.4
297.24356	100.0
298.24683	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	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
61.98834	1.2
75.00027	1.5
82.30279	1.1
125.09830	1.0
149.00992	2.2
153.12891	1.2
183.01208	7.2
184.01976	1.0
253.25401	3.7
264.98505	1.4
279.23297	1.5
297.04834	3.0
297.15378	12.3
297.24371	100.0
298.24710	7.1
307.92664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.70229	0.2
59.01387	0.2
64.67999	0.2
65.89537	0.2
68.77413	0.2
70.06316	0.6
101.52382	0.3
118.11184	0.2
140.35143	0.2
143.07159	0.5
183.01224	3.5
184.01886	0.6
217.97282	0.2
223.20685	0.3
242.49702	0.2
251.23790	0.9
279.23392	1.5
295.22855	0.8
297.15384	8.2
297.24362	100.0
298.15607	0.6
298.24731	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	297.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36987	0.9
59.01366	1.1
71.21823	0.7
83.72652	0.8
95.88971	0.7
139.11273	2.0
142.77403	0.8
149.00960	3.0
152.77135	0.8
155.14389	1.0
183.01210	4.4
194.46979	0.8
253.25360	2.5
264.98459	1.3
269.24884	1.5
297.04706	6.6
297.15341	8.9
297.24374	100.0
298.05045	1.3
298.24680	8.3
309.29028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76489	1.0
57.09380	0.9
59.01382	60.1
62.59951	0.9
64.96478	0.9
69.42307	4.5
71.01384	2.9
72.99326	1.5
79.95544	1.0
85.02962	1.4
85.11513	0.9
87.00883	37.7
91.01899	5.9
93.03464	46.7
94.03831	1.1
96.45683	0.9
98.22591	1.9
101.02468	1.0
103.00378	23.2
108.02178	12.2
112.98818	1.8
123.04533	24.3
130.99863	10.9
137.02455	93.2
138.02800	1.9
152.01164	29.2
155.56908	1.0
161.04491	1.4
165.84641	1.1
167.03505	100.0
168.03835	3.0
182.01932	1.0
190.96037	1.1
195.49420	1.1
206.32903	1.0
217.00230	5.1
299.04309	1.1
299.07822	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	299.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	1.2
59.01385	12.7
69.47412	2.4
69.47822	1.5
84.81502	1.0
87.00891	1.7
95.47452	0.9
98.21933	1.7
104.02711	1.2
105.90637	0.8
107.01405	2.0
112.98822	1.6
118.04266	1.7
119.05022	1.2
132.02155	2.3
134.03703	0.8
135.00920	1.7
145.02937	1.3
148.01671	1.3
151.00394	1.6
167.10814	10.3
174.99301	2.5
177.01981	1.9
183.04552	1.0
183.08096	1.6
189.01944	3.6
190.02675	4.9
196.05428	1.2
197.06056	1.4
199.04018	1.4
199.07544	1.6
201.01936	1.9
203.03490	2.4
210.06967	1.9
211.03952	2.3
211.07645	3.7
212.08455	0.9
213.05598	1.1
217.00320	12.9
222.01801	1.4
225.05684	2.0
227.03528	38.7
228.03955	2.0
238.06294	2.1
239.07135	2.6
240.04221	5.1
240.07977	3.9
241.05093	2.4
255.02997	58.4
255.06627	55.4
255.08713	1.1
256.03662	11.9
256.06992	3.3
265.05084	1.3
266.05884	7.3
267.06607	2.7
269.04596	1.3
281.08276	6.8
283.06180	1.7
284.03262	100.0
284.06824	19.0
285.03647	5.2
285.06805	1.6
299.02460	2.0
299.05609	58.7
299.09241	52.1
300.05951	2.4
300.09543	1.9
314.96994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01389	1.3
63.02422	0.6
65.00351	0.4
69.03461	0.5
69.16922	1.7
81.26296	0.3
83.01418	0.8
85.02985	0.3
107.01406	1.6
113.02481	0.7
123.65137	0.4
131.03522	2.2
132.02202	1.1
133.02914	0.5
134.03763	0.5
151.00404	2.8
174.99294	0.4
183.04491	0.4
185.11858	1.3
188.04808	0.6
199.04056	0.8
211.04060	0.8
212.04851	0.4
217.00327	1.1
227.03525	3.3
228.04216	0.4
239.03400	0.3
255.02962	1.7
256.03799	32.5
257.04205	1.7
283.02527	0.6
284.03293	100.0
285.03619	5.4
299.05627	59.8
299.18747	0.4
300.05966	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	299.0564
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.95241	0.2
59.01367	0.7
63.02397	1.6
65.00328	0.8
69.10001	1.5
73.08005	0.2
73.31271	0.2
81.44505	0.2
83.01389	1.3
107.01398	3.1
113.10258	0.2
122.00141	0.2
125.02449	0.3
126.94630	0.3
131.01469	0.2
132.02182	0.5
133.02072	0.3
133.02989	0.9
134.03772	1.7
148.01721	0.4
149.22295	0.2
149.99559	0.8
151.00392	4.1
169.01447	0.4
171.04468	0.4
176.00984	0.3
183.04515	0.8
184.05267	0.2
187.03984	0.4
188.04733	0.5
199.03925	1.1
200.04828	1.2
211.03992	1.3
212.04774	0.5
214.02823	0.3
217.00334	0.7
227.03481	2.6
228.04231	0.7
239.03513	0.4
255.02954	1.6
256.03766	13.7
257.04160	0.8
283.02432	1.1
284.03275	100.0
285.03601	6.0
299.05618	68.3
300.05942	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	299.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.1
65.03954	0.6
69.19667	0.4
70.69997	0.5
71.01380	3.7
72.90696	0.4
73.02956	0.7
83.01412	0.7
85.02964	1.5
89.02473	1.4
91.69046	0.4
93.03467	75.0
94.03781	1.8
101.02458	1.6
108.02252	0.5
113.02460	0.8
119.03532	0.7
119.05080	0.9
123.03298	1.2
137.02458	100.0
138.02826	2.8
138.03822	0.4
138.05623	11.0
138.06630	0.7
144.80655	0.3
159.00471	0.3
163.08804	0.4
164.45943	0.3
228.61642	0.4
239.25659	0.3
276.38895	0.4
299.07651	0.5
300.10764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01381	3.5
60.64291	0.4
61.21709	0.3
65.03934	0.5
69.74440	1.2
69.74796	0.5
71.01394	3.4
73.02953	0.5
78.58936	0.3
85.02939	1.0
89.02433	1.5
90.07159	0.3
93.03465	65.2
94.03799	1.4
97.37421	0.3
101.02475	1.7
113.02455	1.2
119.03508	0.7
119.05068	0.7
123.03268	1.0
137.02455	100.0
138.02812	2.6
138.05624	10.0
161.04552	0.6
167.03499	0.4
171.68518	0.4
176.96478	0.4
261.09741	0.4
299.07809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0776
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
50.16895	0.4
50.53902	0.4
59.01385	29.4
70.10722	1.1
71.01394	11.4
73.02946	0.5
81.67670	0.5
85.02953	2.6
87.00921	0.7
87.65358	0.5
89.02454	11.0
91.97457	0.5
92.02700	0.9
93.03471	9.6
95.01402	1.3
98.21989	0.6
101.02443	5.7
108.02224	0.6
109.02982	0.5
113.02465	4.4
119.03513	3.9
121.02965	1.0
131.03615	0.6
135.04529	0.9
136.01677	3.9
136.05315	1.7
137.02457	100.0
138.02785	2.6
138.05624	2.0
151.04024	3.9
167.03497	0.7
174.99292	0.8
179.03520	13.4
195.42203	0.4
209.04558	1.9
217.00279	2.2
239.05585	5.1
284.03397	0.6
299.07761	20.9
300.08072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
56.12812	0.6
59.01383	25.2
63.02967	0.6
67.46780	0.6
70.33255	1.1
71.01395	2.3
72.99319	1.3
76.29131	0.6
78.95913	2.1
85.02931	1.4
87.00883	16.9
91.01898	2.1
93.03463	59.8
94.03794	0.6
96.96024	1.1
96.96943	0.8
99.04556	0.5
101.02466	1.3
103.00384	9.6
105.01939	1.4
106.67177	0.6
108.02198	5.8
113.02460	1.4
123.04535	10.9
130.99876	5.6
137.02455	100.0
138.02776	2.4
138.17467	0.6
145.01414	0.7
152.01169	11.9
153.01541	0.7
161.04587	0.5
163.02492	0.6
167.03502	48.0
168.03821	1.9
179.03546	1.0
210.91823	0.5
272.80515	0.7
299.04230	0.7
299.07916	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0776
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
51.63866	0.4
55.01874	0.4
57.08094	0.5
59.01383	2.7
69.09427	1.4
69.09850	1.4
71.01382	1.1
73.02952	0.7
85.02965	0.6
89.02496	0.7
93.03469	93.3
94.03809	1.6
129.84000	0.4
136.01619	0.4
137.02461	100.0
138.02832	2.6
144.48148	0.4
179.03575	1.0
208.34595	0.4
216.72661	0.4
217.00314	0.8
267.02435	0.4
299.07608	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	299.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.9
65.00307	0.7
68.29517	0.6
70.79420	0.9
72.25517	0.6
83.05029	1.3
104.02657	1.1
117.03423	0.9
118.04272	2.6
119.05051	1.2
120.02193	0.7
131.05099	0.8
132.02197	2.4
133.02940	1.2
141.07191	0.8
145.02997	3.3
147.04526	0.9
148.01720	0.9
149.02505	0.8
151.00412	0.7
161.02525	1.1
162.03233	2.0
167.08691	0.7
167.10800	1.2
168.05696	1.2
169.06511	0.9
173.02406	1.2
174.99243	1.2
176.01199	1.0
177.01964	2.8
183.08168	4.0
184.08592	0.7
185.06111	1.2
189.01965	7.0
190.02727	11.9
190.04326	0.9
191.03247	0.7
194.07391	2.1
196.05316	2.4
197.06042	2.0
199.07704	1.7
201.01939	4.3
203.03516	3.8
204.04308	0.8
210.06842	3.1
211.03937	0.7
211.07669	8.0
212.04851	1.1
212.08330	0.9
213.05603	2.1
216.72984	0.7
217.00291	5.4
222.01682	1.6
222.06815	1.6
223.07610	1.1
224.04807	1.0
225.05617	3.3
227.03534	9.1
227.06985	2.9
228.07841	1.4
229.05115	0.7
230.05827	2.7
237.05501	1.0
238.06483	3.0
239.07117	5.3
240.04303	7.3
240.07898	6.2
241.05045	3.7
253.05098	0.9
255.03215	11.1
255.06650	100.0
256.03720	6.2
256.07074	6.9
265.05145	1.9
266.05875	12.0
267.06561	5.7
269.04507	1.3
271.02548	0.9
281.08243	9.7
283.06189	3.8
284.03293	30.8
284.06909	30.2
285.03647	2.3
285.07254	1.9
299.05667	18.3
299.09256	88.2
300.06070	1.4
300.09558	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66430	0.8
55.01892	1.0
57.03453	1.2
59.01385	94.0
67.85378	0.7
68.29427	0.8
70.30054	1.6
71.01389	39.0
72.99315	1.2
73.02950	1.6
83.01390	1.3
85.02965	7.5
87.00862	1.6
87.86162	0.7
89.02454	53.9
93.03473	7.2
95.01361	2.4
101.02462	23.8
112.36584	0.8
113.02466	16.2
116.10597	0.7
118.10915	0.8
119.03535	23.1
119.05029	29.1
123.03286	9.9
131.03510	2.2
136.03978	0.8
137.02458	11.3
137.06094	2.4
138.05624	100.0
143.03465	2.2
149.04648	1.3
152.07181	0.9
161.04588	1.1
179.05617	2.6
180.06696	1.8
209.33650	0.8
217.00288	3.5
219.06427	0.9
256.96490	0.8
299.11179	2.3
300.10977	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	299.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91303	0.7
58.00591	1.1
59.01384	73.4
72.99324	1.1
84.99339	2.5
87.00883	25.2
92.33318	0.7
103.00380	20.6
112.98820	37.0
115.04072	0.8
121.10262	1.0
130.99898	4.0
149.00945	1.9
149.09694	1.6
155.48782	0.8
167.10785	100.0
168.11162	3.0
174.99306	3.0
217.00323	12.4
220.42490	0.7
247.18057	1.1
260.58554	0.8
271.02353	0.9
284.03394	4.5
299.02124	1.2
299.05704	2.1
299.11462	2.3
299.18759	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	299.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	16.1
58.00592	1.5
59.01384	6.3
59.05026	0.8
62.93927	0.4
69.03463	12.6
69.12496	2.6
71.01388	3.3
73.37842	0.3
81.16789	0.4
83.01399	4.4
85.02961	11.3
87.04527	17.9
95.01414	1.1
101.02435	0.7
113.02466	26.1
114.02755	0.6
131.03520	100.0
131.38647	0.4
132.03848	1.9
133.33090	0.4
152.70209	0.3
155.10793	5.1
167.10773	4.8
174.99261	1.2
185.11847	49.0
186.12231	1.7
212.04820	0.4
217.00316	4.8
283.02936	0.4
284.03323	4.0
299.05759	1.9
299.15060	6.2
299.18732	2.2
300.15347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22985	0.5
54.16143	0.4
54.97919	0.5
57.26935	0.4
58.00585	1.1
59.01388	7.2
69.22103	2.6
71.01377	0.7
72.00247	0.4
73.02940	0.7
94.28777	0.4
97.06590	1.3
125.09743	5.2
127.11304	7.6
136.98871	0.5
137.02446	0.8
137.09723	1.6
139.11304	1.1
155.10782	3.8
157.12366	0.6
165.09230	3.0
171.10292	5.5
174.99269	2.3
181.20679	0.4
183.10281	1.4
199.09772	2.0
201.11342	100.0
202.11719	3.2
217.00287	5.4
218.00491	0.5
219.17557	1.1
241.14445	0.8
263.16611	1.6
281.17606	6.3
284.03299	3.4
299.05478	2.5
299.18869	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	299.1867
Annotation	Achaetolide
Peak:m/z	Relative Intensity
51.77290	1.3
55.32755	1.4
57.03434	2.3
59.01378	17.2
64.64177	1.4
69.03442	2.0
71.01373	2.8
71.44354	1.7
83.05016	2.4
85.02934	4.2
95.05013	2.9
97.06612	12.2
99.08146	4.7
106.31429	1.6
109.06514	1.4
121.06646	1.4
125.09740	1.6
127.11298	2.1
137.09731	3.0
139.07677	1.4
139.11308	4.4
143.07190	7.6
149.09718	3.2
155.10786	5.0
161.15521	1.4
167.10773	1.7
169.08804	1.8
174.99147	3.8
181.08736	1.7
183.10275	21.9
184.10524	1.7
185.03845	1.6
189.69183	1.4
190.54860	1.5
193.08513	1.4
201.11345	13.3
207.10390	1.6
211.09758	2.7
217.00294	13.8
224.71622	1.4
225.11234	3.0
263.16422	3.5
267.03040	2.4
269.04596	2.3
271.02539	2.4
281.17651	3.4
284.03262	12.2
299.02167	3.0
299.05594	5.2
299.18640	100.0
300.19003	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
58.00596	0.4
59.01382	4.6
60.83369	0.3
67.51747	0.3
69.03449	1.2
69.26138	0.3
70.41385	0.7
71.01371	1.7
71.05029	0.8
73.02941	0.7
74.02480	3.1
77.47310	0.3
80.02692	0.4
81.03470	0.5
83.01429	0.4
83.05039	2.5
84.02150	0.6
85.02962	5.1
93.03441	0.5
95.05050	3.0
97.02962	0.6
97.06593	11.7
99.04493	0.5
99.08157	4.7
104.05824	0.4
107.05010	0.4
109.06589	1.3
110.00093	0.4
110.03721	0.8
111.04499	0.4
111.08176	0.5
113.09669	0.4
121.06615	1.0
123.08201	0.4
125.06075	1.3
127.07681	0.7
127.11304	2.5
128.03534	0.8
128.59848	0.4
135.08171	1.0
137.02441	0.7
137.06123	0.7
137.09731	3.0
138.05606	0.5
139.07654	1.2
139.11314	4.5
143.07153	8.3
147.08167	1.0
149.09729	4.6
151.11348	0.5
153.09175	0.5
155.10800	6.7
157.08743	2.0
161.64392	0.3
165.09209	2.0
165.12802	0.8
167.10794	1.3
169.08765	0.8
171.10284	0.5
174.99234	0.4
175.07658	1.2
181.08743	2.6
183.10277	23.0
184.10631	0.8
184.12172	0.3
185.01137	0.4
193.08684	2.2
201.11345	14.8
211.09814	1.7
217.00311	2.0
219.17522	2.0
227.03766	0.4
229.10637	0.5
236.48044	0.3
255.11339	1.7
255.15913	0.4
263.16501	4.5
264.16974	0.4
277.65836	0.5
281.17508	2.6
284.03241	1.6
299.18652	100.0
300.18964	6.1
301.86203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1868
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03455	1.2
58.00598	2.3
59.01383	12.1
62.10601	0.5
69.03461	0.9
71.01398	1.1
73.02950	0.9
83.05019	0.7
87.00903	0.8
95.05004	1.5
97.06609	5.0
103.00368	1.0
109.06586	1.7
111.08169	9.4
112.98805	2.0
121.10242	1.0
123.08150	1.3
125.06112	0.9
125.09729	6.4
127.07672	1.9
127.11248	0.8
128.03465	0.6
137.02507	1.1
137.09764	0.7
139.07671	0.6
139.11288	2.1
141.09206	6.3
149.00890	1.4
149.09714	1.7
151.07645	1.2
153.09196	4.3
155.10789	1.6
165.09244	0.7
165.12849	0.7
167.10822	3.9
169.08713	37.0
170.09106	1.0
171.10300	7.1
174.99266	1.1
183.10268	10.6
193.08649	0.6
193.12389	0.7
199.09785	0.7
200.10292	0.5
201.11356	1.9
201.16432	0.5
211.13448	0.6
217.00244	4.5
219.17604	1.0
235.17041	0.8
263.16541	3.3
271.02560	0.9
281.17563	8.0
284.03275	3.5
299.02423	1.1
299.05643	1.7
299.18649	100.0
300.19031	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	299.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
58.00594	2.2
59.01389	12.0
63.77099	0.5
69.03452	1.3
70.38546	1.1
73.02968	1.0
83.05022	0.8
87.00893	0.6
95.05022	1.1
97.06597	6.7
109.06618	0.8
111.08178	11.9
111.08896	1.0
121.10265	1.0
123.08173	1.4
125.06082	0.9
125.09739	8.2
127.07683	1.6
127.11321	0.7
128.18907	0.5
137.02458	1.1
137.09769	1.0
139.11316	1.1
141.09253	9.6
149.00949	0.8
149.09750	0.9
151.07666	2.0
153.09219	4.4
155.10811	1.9
165.09233	0.7
167.10805	1.8
169.08725	46.8
170.09067	1.6
171.10283	9.1
174.99245	0.9
183.10284	8.7
199.09746	1.3
201.11296	1.8
217.00385	3.1
219.17616	0.6
235.17076	2.3
255.48808	0.6
263.16458	3.4
271.02536	0.8
281.17572	8.2
284.03308	3.1
299.02036	1.4
299.18671	100.0
300.19034	6.1
311.34607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1866
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03442	2.8
59.01385	11.8
66.09016	0.7
69.03453	1.4
69.14632	5.1
71.01379	1.2
71.05022	1.3
72.60602	0.7
73.02955	0.8
82.58617	0.7
83.01384	1.6
83.05020	1.5
91.65111	0.7
95.05022	2.2
97.06595	9.7
99.08150	0.9
109.06593	1.6
110.03755	2.2
111.04500	0.8
111.08157	10.9
112.71002	0.7
121.06585	2.1
121.10162	1.2
124.89011	0.7
125.06053	1.1
125.09705	5.4
127.07694	0.8
129.09244	0.8
137.02425	1.0
137.09721	2.8
139.07628	0.9
139.11214	1.3
141.09235	5.0
143.07162	7.3
149.09734	8.2
150.10208	0.7
151.07672	1.5
153.09259	1.5
155.10767	1.5
157.08708	2.8
165.09311	1.0
169.08722	30.4
171.10300	4.0
174.99217	2.1
181.08716	2.2
181.12379	3.6
183.10272	3.8
193.08694	1.5
199.09709	2.2
211.09857	1.6
217.00314	6.9
218.00568	1.0
219.17642	1.6
235.17061	1.1
262.67981	0.7
263.16489	3.9
281.17636	7.2
284.03311	3.5
299.05743	2.4
299.18658	100.0
300.19012	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	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01382	2.6
60.48168	0.5
61.98817	0.5
93.36990	0.4
95.56923	0.5
174.99271	1.1
207.27162	0.5
210.75867	0.6
217.00348	4.9
241.47983	0.5
253.25337	2.9
281.24741	1.7
284.03262	3.2
297.24338	1.0
299.05609	1.7
299.25922	100.0
300.26221	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	299.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.0
63.71079	0.8
68.01253	0.7
69.82961	1.0
69.83298	2.3
73.74779	0.9
95.01321	0.8
113.09760	1.4
169.15918	1.0
217.00229	3.9
253.25385	1.5
268.40359	0.9
281.24866	2.0
284.03357	3.2
299.05566	1.4
299.25934	100.0
300.26297	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	299.2595
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
51.15845	0.7
52.05278	0.7
53.48749	0.6
59.01381	6.5
61.98814	0.7
66.26868	0.6
69.50685	1.5
69.51070	1.9
71.85529	0.7
84.17876	0.7
94.21211	0.7
101.34616	0.7
133.21536	0.6
137.02429	0.8
137.24837	0.7
138.38104	0.6
141.12871	2.4
174.99255	1.8
181.84193	0.7
189.39690	0.9
217.00311	5.4
253.25409	1.2
255.03130	0.7
269.44525	0.8
271.22864	0.8
281.24759	2.0
284.03345	2.3
297.24426	1.5
297.84500	0.7
299.05341	1.1
299.20709	14.5
299.25931	100.0
300.20538	1.4
300.26285	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	299.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26674	0.4
59.01381	2.9
59.93011	0.4
70.56538	0.5
70.56880	0.5
70.64505	0.4
79.56233	0.4
88.95325	0.4
89.84943	0.4
95.37537	0.4
127.11287	1.7
133.17847	0.5
155.14441	1.8
169.15900	0.5
174.99144	0.5
217.00354	3.0
253.25446	1.7
271.44370	0.4
281.24872	2.2
284.03268	0.7
297.24341	1.6
299.05695	0.6
299.25931	100.0
300.26297	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	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
56.32272	5.7
56.85354	7.3
71.06837	8.2
79.52009	5.7
92.75673	6.3
105.39146	7.1
133.36865	5.9
155.75595	7.2
205.25717	6.3
253.25337	50.6
284.03146	9.3
299.25906	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	300.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	0.7
58.99615	3.0
59.01390	4.5
69.39227	2.1
74.02486	1.1
77.28592	0.5
87.00884	0.6
88.04057	2.1
88.18338	0.5
98.22630	1.1
102.98586	2.3
114.05177	0.5
116.07196	2.4
123.03263	1.0
125.09681	0.6
130.08748	1.0
134.06143	12.4
138.05621	7.2
143.11928	1.0
158.24507	0.4
166.22531	0.5
168.04910	15.2
169.05231	0.6
169.08711	1.1
170.06473	100.0
171.06801	3.2
218.02638	0.5
240.07054	10.6
241.07550	0.6
256.20422	1.1
258.08060	15.7
300.08981	4.7
300.15701	1.6
300.19336	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
60.01706	0.3
66.17316	0.2
67.68655	0.2
68.01408	0.6
69.41363	0.9
71.01385	1.0
89.02447	0.8
93.03461	2.4
94.03813	1.7
95.05019	0.4
101.02425	0.3
102.02860	0.3
112.12006	0.2
113.02464	0.2
119.05062	0.5
120.05401	0.4
122.02470	0.8
122.06220	0.4
123.03279	9.6
130.97993	0.2
136.04057	0.3
136.07683	0.3
137.02454	3.5
137.04865	0.9
138.02812	3.5
138.05626	100.0
139.05994	2.8
152.07193	0.8
165.04350	0.7
167.05864	0.4
168.06673	0.3
180.06680	2.2
300.10895	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	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00328	0.6
57.03455	0.4
58.02973	0.7
59.01378	2.3
61.98647	0.2
63.02432	0.3
65.00326	0.7
68.01416	2.7
70.66983	0.2
71.01382	0.4
72.00905	0.2
83.01398	0.5
87.05652	0.4
89.17228	0.2
94.06633	0.3
95.05053	0.3
96.04575	0.3
97.04049	0.2
99.05685	0.4
101.02441	0.3
101.07232	0.6
104.04402	0.2
107.01408	0.9
109.01698	0.3
110.02513	1.2
110.03194	0.3
120.23343	0.2
121.02995	1.1
121.85559	0.2
122.02502	0.4
123.00838	0.3
123.03274	6.2
124.04044	0.3
124.07685	0.8
125.02457	0.7
127.05155	0.5
130.08759	3.8
136.07701	0.6
137.02432	0.4
137.04839	0.9
138.05624	100.0
139.04015	0.3
139.06003	2.5
140.07214	0.4
143.11923	2.3
144.07721	0.2
149.02446	0.6
151.00389	3.3
152.03558	0.4
152.07188	1.4
159.04529	0.3
162.03094	0.2
166.08772	0.4
167.01715	0.3
167.05876	2.0
168.02011	0.6
168.06660	0.6
169.06226	0.8
178.99852	1.4
180.06703	5.1
187.10898	0.5
203.51791	0.2
210.07831	0.4
214.15637	5.2
215.15935	0.2
229.04855	0.3
256.16702	0.4
257.04590	0.4
272.03412	0.3
285.07629	0.2
300.10931	11.8
300.15683	5.4
300.19138	0.5
301.03659	1.2
301.11081	0.4
301.16293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1569
Annotation	(Ac)2-L-Lys-D-Ala
Peak:m/z	Relative Intensity
56.89754	1.0
57.03445	0.9
58.02978	12.8
59.01390	6.9
59.62470	1.1
61.73545	1.1
66.03465	1.0
67.05318	0.9
68.01422	1.1
70.78844	1.2
71.01376	2.2
73.04070	1.5
84.00927	1.3
84.04560	3.8
87.05637	8.5
89.02476	3.7
97.04099	3.3
99.05637	7.8
101.02471	2.1
101.07218	11.6
108.17431	1.0
110.02493	17.8
111.05679	1.2
112.04068	1.9
113.02460	1.2
114.01968	1.1
123.03284	3.2
127.05148	7.2
129.06738	5.8
130.08755	55.2
131.09093	1.9
136.07701	1.6
138.05629	41.5
139.03987	1.1
143.08272	2.0
143.11923	43.7
143.13055	2.3
152.07188	1.0
152.34619	1.1
157.13489	2.4
169.06219	8.2
169.09891	2.6
170.06482	6.0
180.06702	1.8
187.10895	5.3
214.15617	83.1
215.16006	3.0
256.16736	7.9
282.14786	1.1
300.11353	2.8
300.15695	100.0
300.19144	7.0
301.12997	1.6
301.15906	6.3
316.26151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	97.6
60.01713	0.7
61.98847	0.2
73.01469	0.2
74.99383	0.3
82.77468	0.1
82.95428	0.2
83.79426	0.1
108.71552	0.1
110.49833	0.1
114.92076	0.1
114.98878	0.4
115.02526	9.4
116.02612	0.6
116.98669	0.4
117.00450	10.7
117.95545	0.5
118.00558	0.5
141.00468	0.4
141.87100	0.1
142.15692	0.1
156.90361	0.2
156.93092	1.3
156.99979	0.7
157.03574	2.2
157.90842	0.2
158.03699	0.2
158.92836	0.3
159.01506	100.0
159.96541	1.6
160.01640	5.2
183.01588	0.1
201.02568	23.5
202.02765	1.6
215.02631	0.2
217.00563	1.1
241.00558	0.5
257.03610	0.2
259.01584	3.2
260.01669	0.5
283.01712	0.4
301.02667	41.5
302.02838	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	301.027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45188	0.4
59.01385	92.0
60.01705	0.7
69.73891	1.3
71.01391	0.7
78.95911	0.7
80.19338	0.4
87.00864	0.6
93.03471	0.6
98.21870	0.5
100.99139	0.9
104.04279	0.4
115.02535	11.4
116.02637	0.8
117.00447	9.2
118.00694	0.5
123.00908	4.5
137.02437	0.6
137.75578	0.5
138.03239	3.1
139.04024	0.7
141.00444	0.7
143.00211	1.5
156.99924	0.6
157.03586	2.0
159.01508	100.0
160.01631	6.0
160.59439	0.5
174.99431	0.5
196.97830	0.6
201.02565	24.8
202.02740	1.6
211.06293	0.7
217.00459	1.4
258.98364	0.7
259.01617	2.6
259.08551	0.6
260.04767	0.6
300.99557	1.7
301.02679	41.6
302.02805	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	301.0356
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.64014	0.2
63.02400	8.6
63.03758	0.2
65.00327	15.2
66.00655	0.2
69.17094	1.5
69.29846	0.2
70.32726	0.2
81.03490	0.3
81.47366	0.2
83.01392	9.8
93.03460	4.9
95.01399	0.5
96.02148	0.3
98.22623	0.5
107.01396	23.8
108.02228	0.4
108.04558	0.7
109.02961	2.8
111.00859	0.4
121.02961	21.6
122.03326	0.6
124.01676	0.4
124.07664	0.5
125.02475	1.0
135.00900	0.4
135.04527	0.3
136.01619	0.3
136.07681	1.7
139.04004	2.3
143.04979	0.3
145.02936	0.5
145.06642	0.2
147.04527	0.7
148.01668	0.4
149.02438	4.3
151.00377	70.6
152.00720	2.1
157.06624	0.3
159.04530	1.1
161.02429	1.4
162.03194	0.4
163.00420	1.4
163.04015	0.9
164.01160	2.2
165.01920	0.5
169.01404	3.0
171.04616	0.4
173.06180	0.3
175.03970	0.5
178.99869	24.0
180.00290	1.0
183.04532	0.8
185.02499	0.4
185.06129	0.8
187.03957	1.2
189.01968	0.3
192.00629	0.5
193.01384	1.4
199.03993	0.3
201.05591	1.2
203.03508	0.5
205.05072	0.8
211.03975	1.1
213.05496	0.2
214.05116	0.4
215.03394	0.4
217.05077	0.3
225.05624	0.4
227.03648	1.4
229.05113	2.4
231.03001	0.4
239.03520	0.3
240.04286	0.5
241.05067	0.4
243.03036	1.0
245.04567	1.7
255.03006	1.9
255.06610	0.3
256.03635	0.6
257.04617	1.1
257.12964	4.6
271.02441	0.6
273.04037	3.3
283.02533	0.8
284.03305	0.5
286.04935	0.6
299.01950	0.6
301.03540	100.0
301.20081	2.3
302.03876	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	301.0356
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.67744	0.6
57.03451	9.2
61.22382	0.6
62.95161	0.7
63.02407	5.0
65.00335	5.4
68.99820	0.7
69.18649	4.1
70.18869	0.8
74.93763	0.6
76.55668	0.6
81.03477	1.1
83.01390	6.3
91.01914	0.9
93.03468	8.5
95.01386	1.5
98.21928	1.2
107.01394	6.1
107.05030	2.4
108.02183	1.1
109.02952	2.3
111.00900	2.0
117.03450	1.6
119.01410	1.5
119.05025	1.7
121.02157	1.1
121.02966	13.4
123.00819	0.8
124.01665	2.1
125.02452	37.8
127.05592	0.7
135.00868	1.2
135.04520	1.9
137.02463	3.8
139.04027	3.0
143.05048	1.4
145.02960	4.1
147.00870	1.4
147.04503	1.5
149.02451	9.5
151.00378	16.2
152.01134	2.7
155.04993	1.1
155.10791	1.2
157.06572	0.9
159.04504	5.4
161.02455	1.6
161.06049	0.8
163.00372	1.5
163.04016	5.6
165.01930	1.7
167.04997	0.9
171.04562	2.3
173.02420	1.1
173.06108	0.7
173.13588	0.6
175.03929	1.0
177.02016	1.5
177.05600	1.6
178.99884	4.5
183.04483	4.5
185.06023	2.0
187.04025	8.0
189.05565	1.0
191.03513	3.2
199.04002	1.9
201.05589	2.5
205.04999	1.4
211.04018	5.8
213.01831	0.8
214.02649	1.2
215.03511	7.0
217.04974	1.2
227.03537	4.8
229.05063	3.6
231.02834	0.8
239.03438	0.8
245.04544	2.2
255.02989	6.8
257.04550	1.5
273.04047	46.4
274.04437	2.2
283.02490	2.3
301.03546	100.0
302.03870	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04248	1.4
57.03450	4.4
58.12173	1.3
59.01384	4.1
63.02406	9.2
65.00335	25.0
69.27068	4.5
69.27470	2.2
71.01384	1.9
73.02930	1.8
81.03486	2.2
83.01391	17.7
87.04514	2.2
93.02875	2.2
93.03467	43.3
93.04034	2.8
94.08228	1.2
95.01404	5.0
96.02195	2.9
98.22757	2.0
107.01404	35.5
108.02174	1.4
109.02958	3.8
112.53778	1.2
116.86662	1.2
117.03470	11.4
119.05066	2.7
121.02988	2.0
123.00964	1.8
124.01668	11.1
125.01612	1.9
125.02459	15.3
127.22678	1.3
135.00916	5.0
135.04521	8.9
137.02460	4.2
137.09761	4.8
139.00406	2.0
139.04062	3.4
143.05005	2.3
145.02974	4.4
151.00389	86.1
152.01178	30.2
153.01930	4.9
155.10805	12.6
159.04556	5.6
161.02498	8.9
161.06084	2.0
161.49025	1.3
163.00380	17.3
164.01115	1.7
169.01443	3.9
171.04550	1.9
178.99881	30.4
180.00507	2.3
181.01445	2.1
181.08742	1.6
187.04042	4.3
189.02063	1.7
191.03529	3.9
199.09790	6.9
201.05595	8.7
201.99355	1.6
202.30544	1.4
206.99355	33.0
208.00154	21.1
211.04008	2.2
213.05565	2.4
215.03552	7.1
222.63622	1.5
229.05070	9.4
241.10820	4.8
245.04567	80.5
246.04849	4.4
255.03026	3.2
257.04568	12.9
273.04074	100.0
274.04388	5.5
283.02423	5.9
301.00067	2.0
301.03543	24.0
301.06989	1.8
301.11859	4.9
301.20255	6.0
302.03836	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	301.0931
Annotation	Isotachioside
Peak:m/z	Relative Intensity
59.01377	1.7
63.85646	0.3
69.83826	1.0
71.01389	4.3
73.02954	1.5
83.01392	0.4
84.44767	0.3
85.02959	2.5
88.54723	0.3
89.02440	0.7
89.79698	0.3
93.03471	0.9
95.01400	6.5
98.22536	0.5
99.00883	0.7
101.02444	3.3
108.02205	0.7
109.02985	0.8
113.02449	3.2
120.96429	0.3
121.02969	2.1
122.03790	0.3
123.00897	100.0
124.01754	6.2
125.02491	0.6
137.02473	3.4
138.03239	61.9
139.04044	15.0
140.04340	0.6
149.02492	1.6
150.03200	0.7
151.04012	1.6
159.01529	0.6
159.02904	0.5
161.04591	3.0
163.04071	0.7
166.02708	2.1
178.02711	1.2
181.05087	4.6
193.05069	2.6
301.09369	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0931
Annotation	Isotachioside
Peak:m/z	Relative Intensity
57.03460	3.5
58.50738	1.4
59.01384	15.5
71.01399	7.2
73.02969	3.5
82.45310	1.5
83.70334	1.2
84.99316	1.4
85.02955	3.0
87.00891	12.4
93.03463	1.4
95.01402	6.8
101.02467	2.7
103.00365	6.4
107.08688	16.1
109.87666	1.2
112.98844	9.7
113.02486	3.3
121.02957	3.7
122.03754	1.6
123.00903	100.0
123.04453	1.7
124.01753	10.1
125.09750	3.2
137.02470	4.1
138.03246	59.8
138.05594	5.0
139.04037	20.9
139.05920	3.1
140.07195	13.0
149.00916	2.2
149.02440	2.1
151.04063	2.4
161.04564	3.7
166.02696	2.6
169.08717	42.7
171.06706	3.7
176.09271	1.4
178.02652	1.7
181.05095	5.3
193.05008	1.8
257.12766	1.9
279.18192	1.7
286.04825	2.0
301.09317	4.4
301.16644	1.5
305.29453	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	301.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	50.9
69.36448	72.8
71.01378	21.7
74.02473	58.8
80.88173	15.9
85.69360	15.3
87.00905	30.5
87.05659	22.9
88.04051	58.9
91.75371	14.5
92.67461	14.1
93.03480	36.0
99.58707	15.7
110.00084	19.9
123.00922	54.4
135.06470	15.0
137.02446	47.5
138.03198	38.5
139.03090	24.4
139.03990	100.0
143.11906	17.3
145.09634	13.2
161.06480	16.2
171.06857	21.0
211.06128	39.7
214.15668	31.7
258.14606	70.7
302.17087	21.6
324.75772	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	301.1083
Annotation	Dalberatin E
Peak:m/z	Relative Intensity
53.91096	0.8
108.02190	2.3
109.03000	1.4
121.02992	2.1
123.00899	1.5
123.04530	1.4
125.02451	1.0
137.02515	0.9
149.02441	8.9
150.03261	9.4
151.00362	1.2
157.06622	0.8
164.04865	1.6
165.05608	13.6
169.06548	2.0
171.04427	1.0
183.04567	4.3
184.05313	12.7
185.06000	1.7
187.04082	2.4
190.02710	1.2
195.04468	7.1
196.05298	1.9
197.06136	7.2
208.05338	1.1
209.06027	1.1
211.04109	5.5
212.04781	9.8
213.05585	7.3
215.07170	1.4
223.04080	4.3
224.04765	2.9
225.05598	28.3
226.06160	2.4
227.07187	7.0
236.04831	1.5
237.05568	1.7
239.07410	1.2
240.04311	42.3
240.07895	12.6
241.05070	13.4
241.08574	1.1
242.05840	1.1
243.06577	1.4
252.04266	1.1
253.02429	1.2
253.05075	21.8
254.05588	2.8
255.06656	96.4
256.07303	14.3
267.06653	1.8
268.07416	18.2
269.07883	1.1
270.09000	100.0
271.06229	8.4
271.09726	37.1
272.10281	1.4
273.04028	1.9
283.09750	6.7
286.05078	1.3
286.08459	12.7
301.03772	5.9
301.07321	1.0
301.10852	30.7
301.16269	1.2
302.11102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1086
Annotation	Dalberatin E
Peak:m/z	Relative Intensity
50.56048	0.8
51.13504	0.8
59.01382	0.7
70.02971	0.7
71.01360	1.1
73.02950	1.5
77.32789	0.7
89.37504	0.7
93.03484	1.5
107.01360	0.7
108.02174	1.3
109.01711	1.0
109.02940	1.6
110.02442	0.8
121.02946	1.9
123.00866	1.0
123.04529	1.2
125.02447	2.1
136.04051	2.3
137.02441	0.9
137.04370	0.8
148.01503	0.7
149.02466	7.0
150.03261	6.3
151.00377	1.1
155.10809	0.7
159.04567	1.0
162.03279	1.4
163.04005	1.5
164.04787	1.4
165.05598	10.9
169.06657	1.4
171.04503	0.8
183.04524	3.2
184.05272	8.5
185.06030	2.2
185.11856	3.0
187.04037	3.2
189.05609	0.8
195.04491	5.0
196.05237	1.5
197.06075	5.9
203.08240	1.7
208.05316	1.5
209.06090	1.2
211.04066	4.7
212.04776	10.3
213.05615	8.0
215.07088	0.9
223.04002	2.9
224.04829	2.7
225.05603	26.0
226.06158	3.0
227.03630	1.0
227.07129	7.2
228.72736	0.7
229.05031	1.0
236.04745	1.1
237.05545	0.9
238.06525	0.8
239.07265	1.2
240.04297	42.1
240.07840	10.5
241.05055	14.5
241.08675	2.0
242.05650	1.4
243.06679	2.2
253.05080	22.5
254.05658	1.5
255.06648	100.0
256.07300	14.7
257.04553	1.8
257.07733	1.1
257.10199	1.8
257.12769	0.9
267.06467	1.4
268.07397	13.2
269.08090	1.2
270.08994	78.8
271.06171	7.9
271.09708	31.3
272.10007	1.5
273.04083	2.7
283.09726	4.2
285.04272	0.9
286.05301	0.9
286.08453	8.9
301.03568	7.6
301.07150	1.4
301.10834	20.4
301.16492	1.2
301.20166	2.4
302.11130	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	301.1086
Annotation	5,6-Dihydroxy-1,3,4-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.15587	1.2
53.94514	1.1
59.01374	9.0
61.98856	1.3
62.67835	1.2
64.47620	1.3
72.52874	1.3
87.00900	3.9
103.00389	4.4
104.02749	1.5
107.05038	2.0
112.98843	7.6
118.04237	1.7
123.00910	1.6
125.09743	5.3
125.48525	1.2
145.02933	6.4
147.76283	1.4
155.08725	1.5
162.03221	1.8
169.12347	19.4
171.08192	4.3
173.02509	2.1
174.03210	13.4
184.09094	1.6
187.07726	2.3
187.09865	4.1
189.01990	3.6
190.02789	7.2
199.07672	6.5
200.08327	2.4
201.00269	2.0
201.01953	18.8
201.05569	1.7
202.02376	1.8
206.02188	4.4
209.11815	1.6
213.05719	1.5
214.09999	2.2
215.07005	2.4
221.19110	10.5
222.01746	2.2
230.09491	2.2
239.20212	1.6
243.06627	100.0
244.06984	5.7
257.07892	1.7
265.18124	6.1
268.34433	1.3
283.09894	1.4
283.19211	4.8
286.08487	57.1
287.08865	2.6
301.03516	3.7
301.10828	89.5
301.14478	36.9
301.20062	27.8
302.11108	7.0
302.14529	3.0
302.20496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50329	1.0
58.00591	1.1
59.01386	32.4
61.98837	1.2
67.49320	1.0
69.13289	6.7
72.99326	1.9
84.99313	2.3
87.00884	24.5
103.00378	17.4
112.98820	26.5
123.00915	1.4
124.15630	1.2
130.99898	3.3
135.45943	1.2
149.00957	2.4
151.11339	1.6
161.08798	1.0
165.12852	3.0
169.12358	100.0
170.12720	3.5
183.13918	54.6
184.14288	2.4
195.13930	2.3
213.14983	16.4
227.12907	2.8
286.04913	2.1
301.07150	1.2
301.12970	4.1
301.16589	5.1
301.20319	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	301.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59451	2.4
52.90321	2.3
59.01388	38.4
63.80286	2.6
71.43745	2.6
87.00877	22.6
103.00385	19.6
112.98816	42.7
123.00887	4.6
149.00876	3.9
169.12354	100.0
221.19102	29.5
239.20100	3.4
265.18127	22.2
283.19147	20.5
286.04907	4.3
290.22424	2.7
301.13162	3.6
301.20236	95.6
302.20508	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01371	1.5
61.59562	0.4
63.01440	0.4
69.03454	1.4
69.27316	1.3
69.27711	0.8
72.99310	1.4
83.05020	1.6
85.06573	0.4
89.02440	0.4
91.04012	0.9
97.06628	0.5
99.08144	0.8
111.04527	1.1
111.08120	0.6
113.16185	0.4
153.86060	0.4
157.31085	0.3
165.12868	4.3
171.13947	0.5
183.13911	100.0
184.14250	3.9
209.11769	2.2
221.19244	0.4
227.12891	4.7
237.18622	1.8
240.04266	0.8
241.05019	0.5
257.08258	0.4
265.18115	0.4
283.06161	1.0
286.05161	0.5
301.03458	0.4
301.07224	1.3
301.16602	7.9
301.20218	21.6
302.06982	0.4
302.17343	0.7
302.20612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87603	0.8
59.01385	12.7
61.31534	0.7
61.51284	0.7
67.34250	0.6
67.45321	0.7
70.08015	2.1
75.07819	0.7
84.99334	0.7
87.00890	9.3
91.24915	0.9
93.03464	1.1
103.00373	6.8
103.23444	0.7
112.98827	12.1
125.66833	0.7
125.94511	0.7
130.99834	1.1
165.12856	9.4
165.98996	1.2
169.12360	32.2
170.12727	1.9
183.13921	100.0
184.14230	3.1
205.65169	0.7
209.11873	2.6
213.05544	0.8
213.14932	6.3
227.12923	5.2
245.04588	1.7
273.04080	1.5
301.07108	1.3
301.13184	1.6
301.16577	9.2
301.20221	4.5
303.75632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1663
Annotation	Viridamine
Peak:m/z	Relative Intensity
55.71046	0.2
60.97508	0.9
61.98822	0.4
65.00855	0.2
67.72506	0.2
69.71572	0.4
69.71960	0.3
72.53513	0.2
74.99091	0.6
88.74655	0.2
91.02213	0.2
92.92789	0.3
93.00129	0.2
98.21967	0.4
106.13997	0.2
118.96282	0.7
120.97792	0.2
134.99409	7.0
136.97337	2.5
141.07408	0.5
143.05334	1.0
150.98843	0.2
159.08510	1.6
161.06404	7.1
162.06682	0.2
183.13890	0.5
196.75757	0.2
201.04109	0.6
203.05644	4.3
204.05701	0.3
205.03604	1.2
215.05679	1.4
217.07217	88.2
218.07370	4.7
235.08324	0.6
243.96812	0.2
261.06223	0.2
283.11996	0.9
285.13492	36.6
286.13745	3.0
301.16608	100.0
302.16815	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	301.2022
Annotation	Koninginin G
Peak:m/z	Relative Intensity
52.15016	0.4
56.02258	0.4
57.03452	2.2
58.24450	0.4
59.01377	1.4
71.05043	0.6
87.00885	0.8
99.00467	0.5
102.63832	0.5
103.00420	0.9
111.08158	1.2
112.71364	0.4
112.98824	1.6
113.09712	1.0
125.09743	1.0
127.11305	1.6
141.12819	0.6
166.33707	0.5
167.89494	0.5
169.12384	3.2
210.00964	0.4
211.20645	0.9
221.19118	32.8
222.19519	2.1
237.18588	1.8
239.20197	5.4
240.20450	0.5
243.58182	0.4
257.21323	1.4
265.18091	17.9
266.18442	1.8
278.45209	0.4
283.19153	21.1
284.19467	1.7
301.20221	100.0
302.20483	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	301.2177
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
50.11075	3.2
57.89077	3.2
59.01391	21.9
70.92295	6.0
81.39508	3.5
83.20863	3.6
95.73431	3.5
133.05345	3.7
136.72701	3.4
146.62801	3.6
155.93184	3.3
168.25095	4.3
203.18092	8.2
257.22797	29.8
258.23050	4.4
291.68301	4.9
300.99945	3.7
301.21759	100.0
302.21979	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	301.2175
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
61.98813	1.0
70.96796	0.9
83.19442	0.5
88.40990	0.4
92.92804	1.9
93.34924	0.5
94.01565	0.5
123.00893	0.5
127.00504	0.5
136.15454	0.5
152.92786	0.5
192.57231	0.5
230.66251	0.5
300.99976	1.2
301.21741	100.0
302.22098	7.4
308.25702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79433	0.8
57.82159	0.8
61.98845	1.8
64.42720	0.8
65.44962	0.8
69.31531	1.0
71.25468	0.8
71.42738	0.8
72.09306	0.8
94.03018	1.2
118.02995	8.4
122.02495	9.6
123.00947	1.2
134.70232	0.8
150.01979	19.0
170.06105	5.8
182.04562	4.6
197.04887	1.5
198.05600	7.9
208.04140	1.9
209.04796	5.1
219.97807	1.0
225.04369	5.7
226.05106	69.0
227.03555	1.4
227.05496	3.8
270.04089	100.0
271.04437	5.3
302.06729	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	303.0511
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
50.81664	0.9
51.45377	0.9
57.03451	15.5
59.01367	1.4
65.00327	2.0
68.24490	1.1
72.99288	1.0
77.03992	1.0
78.95927	1.5
79.64334	1.0
81.03451	1.6
83.01394	6.9
85.02974	1.1
87.00426	1.0
87.00869	6.1
93.03468	1.9
95.01350	1.5
97.33575	0.9
99.92554	0.9
102.22546	0.8
103.92041	2.3
104.22307	1.0
106.49429	0.9
107.01403	3.1
109.02974	6.1
111.00875	1.4
112.01231	0.9
112.76933	0.9
115.00391	2.5
121.02973	4.7
123.00949	1.1
123.04536	3.8
124.01696	2.1
125.02464	100.0
126.02811	2.5
131.61551	0.8
133.01402	4.5
133.02957	1.2
133.64395	0.9
135.04552	1.4
137.02452	11.9
139.04030	2.8
143.05077	1.3
145.96713	1.4
147.04526	1.5
149.01334	1.4
149.02461	9.3
150.03204	3.2
151.00418	8.4
151.03986	5.2
152.01192	2.8
153.01953	14.3
159.04594	1.4
161.02425	1.3
163.00395	1.8
165.01918	3.5
171.04588	2.0
173.06104	1.4
174.03207	3.1
175.02585	0.9
175.04022	12.4
177.01959	13.8
177.05513	1.7
178.99921	4.5
181.01407	2.2
188.04817	2.3
189.05562	5.0
191.03499	1.8
193.05052	2.3
197.06105	1.3
199.04073	4.7
199.94159	2.9
201.01933	2.4
207.06670	1.3
213.05620	2.1
215.03641	1.4
216.04320	2.1
217.05061	9.6
228.97386	1.0
229.04846	1.3
231.06461	1.3
235.06021	1.5
239.03590	1.0
240.04399	1.1
241.05086	6.0
242.99356	1.1
243.03027	1.9
245.04538	4.1
257.04614	3.1
259.06158	4.8
267.02945	1.5
275.05646	7.2
285.04065	28.7
286.04474	2.4
303.05161	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	303.0512
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
57.03449	14.2
61.57464	0.9
65.00320	2.7
70.74031	1.4
77.48928	0.7
83.01387	8.6
93.03467	2.5
95.01390	1.0
107.01408	4.8
109.02946	8.8
111.00926	1.0
121.02969	5.0
122.03753	1.1
123.04549	3.4
124.01689	2.0
125.02454	100.0
126.02821	3.1
133.02925	1.1
135.04544	2.1
137.02457	16.2
139.04041	3.2
143.04996	1.5
146.03769	1.2
147.04514	2.9
149.02451	10.4
150.03232	3.2
151.00363	9.1
151.03996	5.1
152.01196	3.4
153.01949	14.3
159.04507	2.4
163.00294	0.8
164.77583	0.8
165.01913	6.0
171.04572	1.8
172.05309	0.9
174.03235	4.7
175.04028	11.9
177.01926	15.1
177.05592	1.5
178.99875	4.5
180.00563	0.9
181.01411	2.4
182.12411	0.8
183.04364	1.2
185.06015	2.0
187.55489	0.8
188.04863	2.1
189.05589	5.0
191.03505	2.4
193.05054	2.5
195.04527	1.0
199.03966	6.8
201.01891	2.7
201.05559	1.8
213.05710	1.2
215.06898	0.9
216.04225	1.0
217.05072	10.2
229.04959	1.1
231.06651	2.0
241.04977	4.4
243.02902	2.0
245.04539	3.2
257.04398	4.4
259.06152	3.3
267.03088	1.6
275.05576	8.0
285.04059	31.6
286.04352	1.9
290.99695	1.0
303.05151	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	303.0513
Annotation	Taxifolin
Peak:m/z	Relative Intensity
57.03447	18.7
59.01384	2.7
65.00320	4.0
65.47331	0.9
69.30337	5.5
73.02940	1.8
81.03471	1.1
83.01388	6.5
84.34026	0.9
87.30419	1.0
98.22631	2.3
102.05598	1.3
107.01391	3.3
109.02957	3.4
109.70860	1.0
121.02935	2.2
122.03719	1.3
123.04536	6.5
124.01669	2.2
125.02454	100.0
126.02773	2.5
137.02469	4.1
139.04008	2.1
146.04616	2.9
147.04547	3.1
148.52371	1.0
149.02475	6.6
150.03236	7.7
151.00345	8.3
151.04010	8.3
152.01161	4.5
153.01976	7.6
155.08278	1.2
161.06134	1.6
165.02074	0.9
165.05498	1.1
171.10298	2.0
174.03209	3.9
175.04024	20.3
177.01944	20.7
178.99905	9.0
179.63103	1.2
181.01320	2.2
188.04756	2.8
189.05598	6.1
191.69246	1.1
193.05035	3.5
198.03285	1.1
199.03992	8.5
201.02036	3.2
213.05699	1.3
217.05101	10.7
218.05411	0.9
231.06654	1.2
241.04991	6.8
243.02882	1.4
257.04410	1.4
259.06134	5.6
274.63626	1.1
275.05637	7.3
278.51697	1.0
285.04062	64.9
286.04422	4.7
298.91940	1.0
303.05145	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	303.0514
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
52.51463	1.0
57.03456	17.1
59.01402	1.2
62.45594	1.0
65.00335	3.1
69.88109	3.1
81.03456	1.5
83.01390	6.2
93.03483	1.7
98.21860	1.1
107.01409	2.2
109.02961	3.9
112.80629	1.1
121.02953	2.2
122.03777	1.2
123.04551	7.4
124.01637	1.5
124.07672	1.7
125.02463	100.0
126.02818	2.4
135.00821	1.1
136.07687	3.3
137.02393	1.5
139.04051	1.9
145.02936	1.3
147.04610	1.3
149.02463	6.1
150.03236	6.5
151.00378	9.1
151.04016	10.8
152.01129	3.3
153.01976	8.0
161.02438	1.5
161.06082	1.5
167.03464	3.4
168.06592	2.4
171.04543	1.2
174.03209	3.1
175.04024	16.9
177.01950	21.1
178.99899	7.2
181.01482	2.6
184.20930	1.0
188.04811	1.7
189.05585	5.3
193.05051	3.3
194.33923	1.1
199.04030	8.2
201.01967	2.8
213.05605	1.8
216.04324	1.3
217.05087	11.3
231.06741	1.3
241.05022	5.5
243.03123	1.4
257.04617	1.4
259.06189	7.1
275.05661	6.9
285.04068	59.4
286.04443	3.3
301.83618	1.2
303.05035	9.2
303.13553	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	303.0876
Annotation	Wentilactone A
Peak:m/z	Relative Intensity
50.57806	0.8
59.01377	1.5
63.02871	0.7
71.41474	0.8
93.99403	0.8
95.63708	0.8
104.02696	0.9
108.61617	0.7
118.04255	10.8
119.05071	1.3
122.03762	0.7
125.02467	1.5
132.02174	4.7
134.03734	2.7
137.02466	1.0
145.02954	1.9
147.04539	1.3
148.01700	1.3
159.04523	1.1
161.02448	1.2
162.03235	11.3
171.11813	1.1
173.02469	0.9
176.01181	2.3
176.04791	1.6
177.01952	2.1
185.06044	1.3
187.11372	1.9
189.01956	2.3
190.02724	33.4
191.03291	2.2
199.07773	1.1
203.03487	6.8
204.04286	1.5
215.10774	6.9
216.04401	1.1
222.01682	8.7
229.05025	3.9
230.04480	1.6
243.06590	1.3
259.09766	51.1
260.10144	3.7
261.97015	0.8
285.04501	1.6
285.07715	7.8
286.08255	0.9
289.09534	1.5
303.08771	100.0
304.09061	5.8
304.11966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1239
Annotation	Avicenol A
Peak:m/z	Relative Intensity
56.82389	0.3
70.73538	0.5
86.44034	0.3
90.05801	0.3
94.38073	0.3
104.02677	1.5
107.05029	1.1
117.03416	0.3
118.04230	0.3
120.02187	0.4
125.02441	1.1
133.02951	1.0
145.02966	1.6
148.01660	2.0
155.08652	1.0
156.05853	0.4
161.02441	1.3
162.03201	0.4
171.08157	2.3
173.06039	0.6
181.06512	0.3
181.16742	0.3
182.57410	0.3
187.07637	3.0
189.01947	3.7
190.02740	3.1
198.06767	0.6
199.07637	6.1
201.01932	2.9
201.03590	0.4
201.05569	1.7
203.03517	1.9
204.04146	0.3
213.09184	0.4
215.07083	2.7
216.11517	1.1
222.01714	0.9
225.05505	0.6
229.05061	1.1
230.05817	0.9
232.11012	1.2
243.06630	100.0
244.07018	7.4
245.08154	0.7
257.08188	3.1
258.08783	0.6
259.09616	0.5
260.10629	0.7
271.09839	1.4
273.07660	0.4
287.09308	1.9
288.10059	45.9
289.10394	3.2
303.12399	80.6
304.12744	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	303.1354
Annotation	NSC 177499
Peak:m/z	Relative Intensity
51.39545	1.3
59.01384	27.4
68.01408	3.1
69.11252	7.6
71.01396	1.8
84.04542	1.3
86.17146	1.1
94.06628	1.3
96.04588	2.2
96.96015	1.2
107.03791	3.5
107.71278	1.1
108.04574	20.9
121.05352	2.6
122.06140	75.6
123.06424	2.3
124.07700	55.5
125.08065	1.2
130.08746	3.7
134.06137	1.9
136.07703	97.9
137.08041	4.3
141.09253	1.1
143.59331	1.0
148.07698	1.4
154.52805	1.3
155.10785	1.1
160.04015	1.1
161.07286	1.5
167.05930	7.5
168.06683	100.0
169.07016	3.5
180.06680	12.4
188.10812	1.7
215.08347	1.3
216.03099	2.0
216.13947	9.6
230.10587	3.6
231.11374	2.8
232.31616	1.2
241.13559	2.3
243.11346	8.3
259.14615	9.5
285.12317	5.1
303.06351	2.4
303.13547	80.1
303.21500	6.9
304.13934	3.1
308.51987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.2
80.87733	1.1
83.05026	1.4
95.05026	1.3
95.56184	1.2
97.06579	6.9
99.04495	1.4
99.08160	3.9
113.09765	2.3
116.21765	1.1
125.06100	2.7
125.09740	1.9
136.07683	2.3
143.07143	16.1
153.12793	1.5
153.73270	1.2
163.11299	2.9
180.06691	1.7
181.12372	11.6
197.11800	10.3
199.13411	41.9
200.13661	2.0
207.67465	1.3
211.61440	1.1
215.12888	15.8
216.13474	1.4
225.11343	15.4
229.01239	1.6
243.12378	100.0
244.12717	4.3
261.13452	67.3
262.13931	3.0
303.09271	1.9
303.14636	22.9
304.14856	1.6
313.70428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1605
Annotation	Hydroxypiloselloidone
Peak:m/z	Relative Intensity
50.19687	0.4
61.98818	0.5
63.02383	0.7
65.00327	0.4
69.03449	0.4
71.38480	0.4
72.05142	0.3
77.03987	0.4
79.12035	0.4
85.13767	0.3
90.84439	0.4
92.92832	0.5
94.92499	0.7
109.06592	0.6
115.09265	0.3
125.02396	0.7
129.07130	0.6
131.08673	1.1
136.01668	2.5
137.02449	1.1
138.03246	0.4
147.08139	0.9
149.02452	0.9
152.01299	0.4
161.06062	0.6
162.41864	0.4
163.07629	1.0
164.01207	1.2
165.01935	1.8
166.02713	1.0
172.05205	0.4
173.06078	1.5
176.01158	0.7
176.04904	0.4
177.01950	5.1
179.03461	1.2
182.69402	0.3
189.05608	0.9
190.06400	0.6
191.07155	10.8
201.05652	0.9
204.04260	0.8
217.05075	8.4
218.05501	0.4
218.86751	0.8
219.06642	100.0
220.06998	5.5
260.17526	0.4
275.23911	0.7
288.13699	34.3
289.14041	2.2
303.16046	51.4
303.23203	5.0
304.16370	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	303.1604
Annotation	3-Polyprenyl-4-hydroxy-5-methoxybenzoate
Peak:m/z	Relative Intensity
50.48373	0.2
55.02532	0.3
57.03450	1.6
59.01371	0.8
65.00319	0.8
68.10733	0.2
69.80994	0.8
70.39742	0.3
76.86003	0.2
79.87755	0.2
81.03464	4.3
83.01392	6.1
83.05017	0.3
85.29221	0.2
91.16134	0.2
93.03452	0.5
94.92501	0.2
95.01434	0.4
95.05020	0.7
98.22633	0.3
108.02193	0.2
109.02935	0.6
109.06583	0.4
122.03777	0.4
123.04538	7.5
124.01674	1.0
125.02463	0.5
133.06575	0.6
135.04561	0.3
136.05325	0.3
137.02461	4.3
138.03250	1.6
148.05333	0.4
149.02478	0.7
149.06094	0.5
150.03300	0.4
151.00397	1.9
151.04027	1.0
152.04829	0.6
153.01996	0.3
162.30316	0.2
163.00409	1.4
163.03984	0.4
164.04836	3.2
165.01950	0.3
166.02728	11.4
167.03242	0.8
175.07625	1.5
176.01134	0.6
176.08429	0.8
177.02054	0.4
177.05618	0.5
177.11458	0.3
177.12822	1.8
179.03514	31.4
180.04121	2.4
189.09225	0.8
191.03514	8.1
191.07106	0.4
192.04282	3.9
193.05023	0.3
193.15971	0.7
201.12878	1.4
205.05042	2.7
215.07140	0.3
217.08630	0.6
217.15945	1.9
219.06630	3.5
219.13931	1.1
220.07318	0.5
233.08159	2.5
234.08977	3.7
243.13962	0.3
259.17032	13.2
260.17267	0.8
261.14954	5.1
262.15427	0.5
287.12909	1.1
303.16046	100.0
304.16400	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	303.1969
Annotation	Caribenol B
Peak:m/z	Relative Intensity
59.01386	1.9
83.05034	84.6
84.05365	1.9
86.16812	2.0
95.40169	1.9
96.69608	2.0
125.02466	2.1
144.87051	1.9
259.20715	6.9
303.19687	100.0
304.20078	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	303.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45401	0.5
59.01353	0.6
61.98842	0.7
63.17395	0.6
65.35020	0.5
69.30426	1.4
69.30823	1.9
69.73720	0.6
71.15415	0.6
83.05031	100.0
84.05366	2.9
94.92535	0.8
97.44709	0.5
98.80767	0.6
115.54462	0.5
125.02472	0.7
144.86983	0.6
147.78484	0.5
164.25499	0.6
189.05655	0.5
204.54099	0.6
205.12300	0.6
218.86647	1.2
219.06555	0.7
231.44183	0.5
241.98984	0.5
259.20618	2.4
303.19662	79.0
304.16736	1.0
304.19955	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	303.2333
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
53.47055	3.7
65.03772	4.2
71.41017	3.7
79.95763	9.3
108.71281	3.7
109.81897	3.6
303.20197	5.7
303.23309	100.0
304.23654	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	303.2332
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
59.01384	7.6
71.01408	1.6
83.05034	1.2
90.87722	1.0
92.33989	1.0
109.55556	1.1
114.86910	1.0
131.53560	0.9
259.24249	3.4
260.68539	1.1
303.23322	100.0
304.23727	10.0
306.52783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2331
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
59.01385	10.9
59.91203	1.2
65.47498	1.1
70.74608	2.2
71.16369	1.3
72.35381	1.1
73.17834	1.2
75.14303	1.2
80.02058	1.1
84.38062	1.2
125.40939	1.2
129.36421	1.2
170.80086	1.4
205.19699	2.7
259.24350	12.4
303.23325	100.0
304.23633	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	304.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25746	0.3
57.31364	0.3
59.01384	21.4
60.01722	2.4
60.15593	0.3
61.01815	0.7
61.98835	100.0
69.09653	1.6
115.02531	0.6
116.02644	0.6
117.00438	0.4
117.02280	1.2
117.95558	0.7
117.97343	0.5
118.00584	0.7
118.97590	0.3
119.00230	0.8
119.95272	1.5
134.97052	1.7
141.61975	0.3
144.95609	0.3
159.01512	3.4
159.02864	0.3
159.03397	0.4
159.96584	1.7
160.01651	8.4
160.96790	0.4
161.01215	11.9
161.96295	6.4
161.98964	20.3
162.01585	2.8
162.96584	3.4
162.99086	0.9
164.40396	0.3
167.68172	0.3
168.83929	0.3
176.98141	0.7
199.59142	0.3
201.02644	0.3
202.02754	2.3
203.02289	2.7
203.99994	4.2
204.02715	0.6
223.77383	0.3
245.88130	0.3
261.99054	0.5
262.01575	0.9
304.00146	10.3
304.02863	8.7
305.00183	1.1
305.02789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12382	0.2
54.36507	0.2
54.61493	0.2
56.04984	0.2
69.20905	1.2
71.01383	0.9
78.79677	0.2
94.02998	1.1
95.01398	0.6
98.22617	0.5
106.09132	0.3
110.94909	0.2
131.03786	10.4
133.53494	0.3
144.04547	0.4
149.99159	0.2
159.03270	17.1
160.03670	0.8
166.06680	0.3
168.04559	3.2
170.06099	0.9
174.05614	100.0
175.05965	3.5
184.04054	0.4
196.04050	3.1
198.05664	0.7
201.02191	0.3
212.03616	0.4
219.10362	0.3
228.06685	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	304.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97276	19.5
59.01369	49.7
68.52734	20.9
69.24514	100.0
83.51852	18.9
85.18533	17.5
96.95982	24.0
97.31503	18.6
98.22706	43.1
105.66882	19.3
122.93638	18.9
123.06479	34.6
136.07715	56.9
137.06087	23.0
137.08073	37.2
168.06635	24.1
172.10658	25.3
173.10059	28.9
199.60414	20.7
213.96265	20.0
224.47783	24.5
267.40561	22.2
304.13962	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89234	0.3
58.02980	37.6
59.03319	0.5
60.44143	0.3
63.68363	0.3
66.78934	0.3
70.02986	0.4
91.19958	0.3
91.61034	0.3
116.09854	0.3
123.12666	0.3
127.28456	0.3
168.13950	100.0
169.14331	3.8
188.39410	0.3
195.13901	0.5
212.12901	2.3
244.17702	0.3
284.08997	0.3
288.61765	0.3
304.15674	0.3
304.19205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.9918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
59.12464	0.4
70.08415	1.0
70.68215	0.4
71.01387	14.0
72.99320	5.3
77.03349	0.4
78.95910	2.4
87.00870	2.1
89.02438	3.2
89.65829	0.4
98.22001	0.6
99.05630	0.4
111.02007	1.0
115.00382	40.7
116.00727	0.7
119.05083	0.5
126.98857	0.5
127.64994	0.3
128.03601	0.6
130.96643	2.0
133.01443	100.0
134.01808	1.7
143.04668	0.4
148.97717	1.7
149.00916	2.6
154.98384	0.6
186.97363	0.9
188.97272	1.0
202.95113	6.3
228.90437	0.4
244.95992	4.0
244.98300	0.6
254.07663	0.4
302.85831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.067
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
56.50511	0.6
57.03448	10.5
59.01385	1.1
69.03468	1.0
69.77772	1.9
71.01395	1.0
72.51832	0.7
78.95905	1.1
79.01904	0.8
81.03468	4.5
83.01388	5.0
83.05024	0.7
85.02957	0.7
93.03461	2.8
95.01399	2.8
95.05035	4.0
97.02952	4.5
98.22572	1.3
99.00882	1.5
99.04509	0.9
107.04999	0.7
108.02178	0.8
109.02958	10.6
111.00862	1.0
111.04530	8.7
111.78658	0.7
113.02448	0.9
113.06084	0.8
115.00334	0.7
121.02946	2.9
123.00913	5.7
123.04527	2.2
124.01695	4.7
125.02457	100.0
126.02798	2.1
133.01431	2.0
133.02985	0.9
133.06572	1.1
135.04495	3.0
137.02458	25.1
138.03223	2.2
139.00407	0.8
139.04024	18.1
144.04573	2.1
147.04526	0.9
149.02443	1.6
149.06102	1.8
151.00429	0.7
151.04031	2.9
153.01939	7.0
155.03551	0.9
159.04543	1.8
161.02444	3.5
162.03183	0.8
164.01158	5.7
165.00534	0.9
165.01938	19.6
166.02632	1.2
167.03520	20.4
168.03876	0.7
173.06125	1.1
175.04030	2.4
177.01993	1.9
177.05568	4.5
178.02737	0.7
179.03522	19.9
180.04031	0.6
183.03023	2.0
191.03488	1.0
191.07169	2.4
199.43077	0.7
201.05626	1.5
203.03468	2.2
204.04234	2.5
217.04942	0.9
219.06624	14.2
220.06932	1.1
221.04572	7.3
228.04272	0.7
233.08469	0.8
243.06654	2.2
245.04485	0.9
261.07651	6.0
287.05521	1.5
302.69998	0.6
305.06671	60.2
306.06998	4.8
319.01022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0668
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
55.85994	0.7
57.03452	11.1
69.03468	1.6
70.89850	0.7
80.02682	0.7
81.03455	4.1
83.01385	4.9
93.03472	2.4
95.01405	2.0
95.05050	4.2
97.02942	5.2
98.82537	0.7
99.02776	0.6
101.26381	0.7
109.02962	10.2
111.04533	7.8
121.02991	3.5
123.00880	4.6
123.04532	3.0
124.01682	5.1
125.02464	100.0
126.02795	3.2
135.04588	1.0
137.02457	27.5
138.03244	2.6
139.04033	19.4
140.04384	0.9
147.04565	1.2
149.02495	1.4
149.06100	2.0
151.00392	1.6
151.04034	3.1
153.01949	10.1
161.02521	4.8
164.01152	7.5
165.01938	18.3
165.03242	1.3
166.02646	1.1
167.03529	17.4
173.06128	1.2
175.04037	3.2
176.04889	1.3
177.01944	2.0
177.05620	3.1
178.02725	0.9
179.03510	19.2
183.02975	3.1
191.07187	2.2
201.05592	1.8
203.03571	3.2
203.05290	0.7
204.04311	1.7
219.06641	14.1
221.04558	7.0
233.08026	0.8
237.07651	1.2
237.28712	0.8
243.06714	1.4
261.07718	5.4
287.05527	1.2
305.06683	55.5
306.07120	4.6
320.63617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0667
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
57.03451	10.5
57.77796	0.7
59.01382	10.0
65.03954	1.1
67.01891	0.7
69.03464	1.6
69.34239	0.6
71.01405	1.8
71.39518	0.8
73.02958	2.1
79.71402	0.6
81.03458	5.8
83.01392	5.6
83.05019	2.1
85.02952	2.4
87.00873	1.2
88.04060	0.8
89.02454	1.2
93.03467	3.1
95.01378	3.0
95.05009	5.0
96.96014	11.0
97.02970	4.8
98.18274	0.8
99.00882	1.3
99.04527	1.2
101.02486	0.8
107.05000	1.3
108.02192	0.8
109.02961	14.7
111.00888	1.3
111.04527	8.4
111.08147	11.0
112.98786	0.8
113.02385	0.7
115.44464	0.7
118.50449	0.7
119.05022	0.9
121.02963	4.5
123.00893	7.3
123.04571	3.7
124.01670	4.8
124.77276	0.7
125.02454	100.0
126.02773	3.8
133.02943	4.2
135.04543	6.2
137.02452	31.5
137.03513	1.7
138.03174	2.3
139.00360	1.6
139.04022	19.1
139.05721	0.9
143.07222	0.8
147.04453	0.8
149.02425	3.8
149.06097	1.6
151.04027	3.5
153.01973	3.4
159.04530	2.6
161.02457	6.2
162.03178	1.2
164.01161	7.0
165.01938	23.4
166.02531	1.3
167.03514	21.2
173.06017	1.5
173.08200	19.9
175.04044	3.4
175.07668	1.0
176.04747	1.0
177.01961	3.9
177.05594	5.4
178.02682	1.1
179.03525	19.1
191.03526	1.3
191.07141	2.1
193.05051	0.8
195.03006	1.2
201.05605	2.7
203.03418	3.8
204.04263	2.9
215.07074	1.1
217.05043	1.2
217.08777	1.3
219.06613	18.1
220.06934	0.9
221.04562	8.3
225.11305	2.7
233.08464	1.0
237.07784	1.8
243.06599	2.7
245.04608	1.0
259.05991	1.1
261.07666	7.0
263.05646	0.8
269.04553	1.3
287.05573	3.4
287.92188	0.7
305.06720	74.3
305.16190	5.0
306.07037	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	305.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71754	0.4
59.01385	33.6
60.01729	0.4
69.62766	1.4
71.01389	0.6
79.95735	2.4
81.03468	0.5
85.06599	2.7
86.34802	0.4
96.96020	100.0
97.06590	1.7
97.95993	0.5
98.22581	0.6
109.06621	0.6
113.06111	0.5
115.04023	0.4
121.02930	0.8
123.57099	0.3
131.20584	0.3
133.02968	1.3
135.04465	0.5
135.08159	0.9
143.04630	0.7
147.08188	1.3
148.03926	0.4
151.11281	0.5
157.05110	0.4
159.61098	0.4
165.09282	0.5
173.11835	0.9
189.07864	0.4
225.11339	19.0
226.11691	0.9
252.01613	0.5
305.07019	75.4
306.07318	4.5
310.85294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98930	0.4
59.01384	40.0
60.01705	0.5
69.79538	1.0
69.79877	0.8
71.01392	0.5
79.95744	2.5
80.62205	0.5
85.06581	2.7
96.96020	100.0
97.06590	0.5
114.31321	0.4
115.04097	0.4
134.11392	0.4
135.08171	0.8
147.08170	1.7
165.09181	1.0
171.44608	0.5
173.11827	0.6
225.11340	23.1
226.11685	1.2
275.28348	0.4
305.07022	70.1
306.07349	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	305.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
56.42426	1.2
59.01386	84.3
68.83894	1.2
69.03474	12.8
70.79734	2.7
71.01390	37.3
72.99300	1.3
73.02946	2.3
75.00863	1.4
81.03468	8.8
83.01404	6.8
85.02972	6.9
87.00894	2.6
87.60360	1.2
89.02457	37.1
95.01427	3.9
96.96021	26.6
97.02959	16.5
97.06591	7.3
99.05695	2.3
101.02458	18.2
109.03004	1.6
111.04514	1.8
113.02452	13.4
119.03522	15.7
119.05014	1.6
121.02959	3.0
123.04633	1.4
125.02460	100.0
125.06091	9.3
126.02813	1.7
128.03549	3.4
131.03568	1.6
132.02185	2.9
133.02975	47.8
134.03752	2.6
135.04535	8.3
135.87288	1.3
138.05653	1.7
139.04019	10.4
141.05615	2.3
142.33730	1.2
143.03513	3.5
143.04663	5.3
143.07127	4.5
145.02991	3.2
149.02492	2.4
161.04498	1.5
167.03496	5.6
173.08252	2.7
173.25560	1.5
177.01961	6.9
179.05705	1.5
182.26830	1.2
186.77229	1.3
188.01154	2.0
204.99171	2.4
216.96103	2.3
216.99152	6.3
225.11337	5.3
272.09021	1.3
304.97513	2.0
305.00949	1.6
305.06952	26.0
305.12292	9.1
306.07495	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	305.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
69.10616	1.7
69.11034	2.4
71.01388	12.6
72.99324	0.7
85.06599	100.0
86.06927	2.0
95.11172	0.6
96.96027	1.3
98.21976	1.5
113.06106	22.2
113.06915	1.1
115.00394	10.7
115.04027	17.9
129.05612	7.9
133.01454	4.3
135.04492	1.0
148.65976	0.6
157.05066	6.1
173.11852	2.2
189.07697	13.1
213.08844	0.6
248.99257	0.6
262.52301	0.6
305.07013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1147
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
59.01368	1.0
65.99831	0.3
69.03445	0.3
69.14932	0.4
69.15342	1.3
71.01380	0.5
72.39150	0.3
82.02991	2.9
85.06607	1.7
87.00890	0.4
92.05074	0.6
94.02975	0.9
96.04561	5.6
96.96005	0.4
97.02950	0.4
97.06580	0.4
98.21956	0.6
107.03763	0.4
109.01775	0.4
115.04010	0.3
120.04585	1.1
122.02469	0.4
122.03765	4.4
122.06132	1.7
133.02965	0.6
135.04549	0.3
136.04071	1.1
138.05627	100.0
139.05963	2.5
141.05612	1.1
149.04805	0.3
150.05588	0.4
161.04773	0.3
173.08125	0.5
173.11850	1.2
174.05629	0.8
188.07179	0.9
190.08751	1.0
202.08807	0.7
216.10220	0.6
217.06119	0.4
218.06940	2.0
218.11861	1.5
231.01649	0.5
233.09329	4.7
244.09698	0.9
245.09314	0.4
261.12469	9.4
262.12772	0.6
287.10406	1.1
305.07773	0.6
305.11450	13.0
306.06131	0.4
306.11682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1763
Annotation	Corrin
Peak:m/z	Relative Intensity
53.24254	2.6
58.25298	2.6
59.01371	10.0
61.98829	7.6
68.01598	2.4
70.65347	3.3
70.65664	4.7
71.05029	41.7
79.51921	3.1
81.03439	3.1
83.05035	3.4
84.12255	2.5
88.77376	2.9
93.03465	4.4
95.05050	19.8
96.17608	2.4
108.93701	2.8
109.06611	13.9
111.04495	2.8
121.06590	7.0
127.87046	2.5
135.08214	3.6
146.86687	2.8
147.08037	2.4
152.91756	4.5
161.06125	3.1
162.91254	3.3
165.09256	11.2
171.88853	4.0
189.12865	14.7
192.90993	4.0
205.16002	8.4
233.11948	6.4
243.17575	9.5
249.15018	13.0
287.16562	80.5
288.16931	4.3
305.08286	6.4
305.17618	100.0
305.21024	7.3
306.18073	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	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
50.44877	4.0
58.00205	4.0
59.01379	6.5
59.62377	4.4
61.98837	9.6
64.24730	4.4
70.88734	6.0
70.89086	8.8
71.05031	10.4
75.39307	4.6
79.05544	9.3
83.05016	4.5
93.03435	4.9
95.53903	4.7
97.06583	14.7
111.07019	4.6
120.05775	5.5
123.08094	6.3
125.09715	17.6
135.08167	100.0
136.08543	4.5
141.01712	5.8
144.87236	5.4
162.84048	7.2
205.15932	6.7
249.14958	54.4
287.16666	11.2
305.08185	15.3
305.17615	80.8
306.17651	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03452	6.5
59.01384	8.4
60.58113	1.6
61.98831	1.9
63.84151	1.7
65.03975	3.9
70.99542	2.2
71.05036	2.5
72.64585	2.0
79.05551	3.7
83.05054	6.8
83.73523	2.0
91.05556	2.4
93.03484	4.3
93.07102	4.2
95.05075	2.5
97.06600	6.7
103.01522	2.0
106.04238	2.5
107.05041	2.2
117.07145	3.3
120.05843	6.2
121.06675	2.0
122.06924	2.3
123.08184	5.9
125.09699	19.0
133.06578	6.3
135.08179	100.0
136.08517	2.5
137.09799	2.3
179.06097	1.9
185.11803	22.2
189.60237	1.8
192.83479	1.9
203.10796	2.2
209.11917	5.5
221.11914	3.3
223.13345	2.5
224.17694	1.9
237.15050	2.1
242.30043	1.8
242.32755	1.9
243.17540	11.7
247.13391	6.4
249.15048	15.0
261.15015	6.1
263.16537	7.5
287.16605	18.6
305.08084	3.3
305.17624	57.4
305.21085	3.5
306.17886	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	305.2489
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
53.25133	5.9
59.01397	6.6
70.90388	8.6
86.05430	6.7
92.04339	5.7
102.26582	5.5
114.26191	5.9
119.02551	5.7
131.87270	5.7
206.65054	6.2
305.24890	100.0
306.25159	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	305.249
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
60.80581	5.2
61.98843	9.2
63.17182	6.2
69.76904	14.8
88.74243	6.0
91.96307	5.3
98.22576	8.3
100.63540	6.5
123.91443	5.7
125.69737	7.0
134.33705	5.6
165.75462	5.7
203.23470	5.7
203.46173	5.6
237.27563	6.0
305.24896	100.0
306.25232	8.4
309.10065	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0729
Annotation	Methylisatoid
Peak:m/z	Relative Intensity
55.33035	0.4
59.01386	0.6
61.98837	2.5
63.05950	0.4
65.31297	0.4
70.73701	0.5
85.23086	0.4
87.17206	0.4
93.99600	0.4
94.83887	0.4
96.96012	0.6
100.83516	0.4
102.04986	0.4
105.33704	0.4
133.03000	0.5
134.03702	1.3
135.04523	1.9
137.02467	0.6
166.53099	0.4
168.02519	0.5
179.03461	1.8
183.61507	0.4
196.06430	0.7
207.05731	0.4
208.06396	1.1
212.05930	1.4
219.05699	1.1
220.06435	7.5
223.05145	0.4
224.05948	2.5
235.05225	0.9
236.05899	2.1
247.04956	1.9
248.05914	52.8
249.06345	3.0
251.04619	6.3
252.05362	4.4
263.04675	2.8
264.05081	0.5
266.06964	2.9
279.04160	10.0
280.04895	22.9
281.05130	1.7
289.18109	0.5
292.05045	0.8
307.07266	100.0
308.07574	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	307.073
Annotation	Methylisatoid
Peak:m/z	Relative Intensity
51.32904	0.6
54.54850	0.8
54.93667	0.6
57.19946	0.7
58.57248	0.6
59.01449	1.2
71.44860	0.9
75.80563	0.6
78.72839	0.6
80.79387	0.6
93.03556	0.8
96.96159	0.7
100.65873	0.7
101.16994	0.8
119.07147	0.7
125.81272	0.6
128.39455	0.6
134.03877	0.7
135.04526	8.9
146.02603	0.7
160.04155	1.6
161.02507	1.5
179.03496	9.1
179.04951	0.8
193.05363	1.0
202.02739	0.7
220.06447	0.7
221.04823	8.9
221.06853	1.0
235.05170	1.9
236.05850	3.4
245.09796	2.7
248.05968	1.9
248.08537	0.7
249.04309	51.1
250.04742	2.1
262.10220	0.8
263.04648	6.1
263.10818	6.3
264.05380	7.0
275.04617	4.8
291.04111	5.4
292.04901	99.5
293.05264	7.1
307.07220	100.0
308.07629	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	307.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06265	0.5
54.86216	0.6
56.66739	0.6
59.01384	17.8
65.07227	0.6
66.42198	0.6
71.01385	5.8
83.01416	0.6
85.02950	5.3
87.00893	2.2
88.04025	0.9
89.02453	4.6
96.96015	0.7
99.92593	1.7
101.02447	3.6
107.05074	1.7
112.01651	0.6
113.02485	3.0
115.00394	0.9
116.98704	0.9
117.03508	0.9
119.03516	2.5
119.05034	2.2
120.23194	0.7
121.02966	12.6
127.07668	0.9
132.03015	3.4
133.02966	6.4
134.03769	2.5
135.04538	93.4
136.04883	2.4
141.07132	1.2
142.96654	4.4
145.08749	1.1
151.04071	2.4
158.99792	1.8
161.02463	20.7
162.02774	1.0
163.04074	1.2
170.22058	0.7
177.05595	0.9
179.03511	100.0
180.03909	3.9
184.97667	5.0
185.06050	1.0
203.03499	1.3
203.07019	1.1
221.01305	3.0
237.00839	3.6
246.99312	4.1
247.06097	2.3
250.99702	0.6
263.02417	7.0
275.07675	1.3
289.07114	2.1
307.01331	1.9
307.04739	1.1
307.08316	17.1
307.13947	10.2
308.08374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15231	0.3
59.01368	1.1
69.48360	0.7
69.48754	0.9
73.02923	0.3
83.75013	0.4
85.02974	1.7
88.45104	0.3
91.05566	0.4
107.05035	1.4
109.02969	1.2
121.02948	0.8
133.02945	3.2
134.03741	3.0
135.04538	100.0
136.04852	3.4
147.49846	0.4
149.09096	0.4
156.36516	0.3
161.02473	4.8
179.03511	94.3
179.50696	0.4
180.03847	4.1
289.07281	2.3
290.07864	0.4
307.04678	0.7
307.08255	12.0
307.13766	0.5
308.08627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0858
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
59.01383	32.7
69.61052	0.7
69.61433	0.7
71.01376	0.7
79.95776	1.2
85.25861	0.4
89.02430	0.6
96.96019	100.0
101.02427	0.6
119.03490	0.8
123.08165	0.6
155.05127	0.4
165.12762	0.5
167.10797	0.7
209.11876	0.5
227.12907	21.4
228.13240	0.8
307.08585	76.0
308.08810	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	307.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03454	3.0
57.68380	0.8
58.00605	1.3
59.01384	100.0
60.01721	0.8
69.03441	1.1
71.01388	57.5
72.99317	0.8
73.02957	4.9
81.03458	1.9
83.01391	4.3
83.05043	1.7
85.02956	13.1
87.00900	4.9
89.02451	47.4
95.01395	12.1
99.00880	2.2
101.02450	27.3
111.04500	1.5
112.01683	10.9
113.02463	32.8
116.05087	4.6
118.02203	1.3
118.03006	18.6
119.03514	15.4
125.02442	1.4
127.03100	1.5
127.03989	6.1
131.03517	4.7
132.04532	2.7
135.04520	3.4
136.80902	0.8
137.02458	1.0
143.03542	1.7
144.04559	5.6
145.04892	2.6
146.02492	63.3
149.04501	1.0
155.03522	2.0
159.03127	1.8
160.04050	8.9
161.04559	3.5
175.33705	0.8
179.03476	4.1
179.05655	1.2
188.03531	3.4
275.07730	18.3
276.07968	1.7
308.07858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60303	2.7
59.01387	100.0
66.63742	3.7
69.03473	7.7
69.66942	11.5
71.01389	55.7
73.02951	24.2
81.03472	3.5
83.01393	4.5
85.02966	21.8
87.00886	5.9
89.02461	16.4
95.01363	3.8
96.96056	8.7
97.02969	9.8
101.02457	25.8
103.04020	9.7
107.05110	2.5
113.02458	3.6
119.03529	6.0
125.02456	22.9
133.02963	7.8
134.03752	34.8
135.04552	81.7
136.04907	3.8
137.09671	2.8
143.03500	5.9
147.04541	4.4
159.04546	7.4
161.02467	12.7
172.05336	7.5
173.06111	12.1
177.09131	3.1
178.02747	5.8
179.03525	74.6
187.04088	4.8
187.07661	50.4
201.05583	13.1
202.06377	30.1
213.09259	8.2
215.07156	5.5
231.10240	21.2
233.04617	6.6
245.11893	5.5
259.50574	3.0
263.10455	3.9
263.12915	37.4
264.13303	4.1
275.09021	3.7
292.04352	3.0
307.04779	3.1
307.08182	13.3
307.11917	35.0
307.19278	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	307.1192
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
57.56670	0.5
59.01381	0.6
70.65814	0.8
86.63171	0.6
97.06586	5.7
100.69293	0.6
106.04269	0.9
107.11607	0.6
113.93069	0.6
133.02975	4.7
134.03761	100.0
135.04590	16.0
137.02420	0.8
139.48946	0.5
161.02461	0.9
161.08101	0.7
167.65540	0.5
177.01961	5.6
178.02734	17.2
179.03529	7.7
231.10367	2.5
248.05795	0.9
275.09329	3.4
307.07578	2.3
307.11899	22.3
308.05823	0.8
308.12125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79824	0.2
58.85291	0.2
59.96711	0.6
61.98814	0.2
69.44325	0.9
74.99074	6.4
91.02215	3.3
93.00145	2.4
121.03013	0.2
121.79505	0.2
132.04474	0.2
135.04546	0.3
147.84296	0.2
149.00955	2.6
156.54871	0.2
159.08482	7.6
160.08771	0.2
161.06422	2.1
179.03574	0.3
192.98073	0.7
206.99794	1.5
209.01250	2.9
217.07216	0.9
223.02847	52.7
224.02890	3.2
225.00841	0.6
241.03883	0.6
275.05905	0.5
289.07614	1.7
290.07828	0.3
291.09119	100.0
292.09235	9.5
307.12320	2.7
309.10214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96714	0.5
64.32069	0.3
70.94159	0.3
74.99080	6.4
80.24510	0.3
91.02226	2.8
93.00140	3.1
94.00092	0.4
135.04530	1.4
149.00961	3.4
159.07178	0.5
159.08470	7.5
161.06418	2.3
179.03479	1.9
192.98079	0.8
198.52304	0.3
206.99686	2.1
209.01291	3.4
217.07162	0.9
223.02849	53.6
224.02936	3.5
225.00789	0.5
241.03940	0.7
275.05997	0.5
289.07675	1.8
291.09125	100.0
292.09232	8.4
307.08917	0.5
307.12201	2.5
307.19284	0.4
307.22879	0.4
308.12592	0.6
309.10141	1.3
324.79910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01863	0.9
57.03432	1.4
58.00601	0.8
59.01382	46.5
60.67937	0.7
63.44386	0.6
69.98032	0.6
70.23351	0.6
71.01379	19.0
72.99305	0.6
73.02927	1.9
75.00836	0.6
83.01382	2.2
85.02953	5.6
87.00883	1.0
89.01939	1.3
89.02453	19.4
95.01382	1.9
97.06519	0.6
99.08164	19.7
101.02438	14.0
113.02459	8.1
119.03498	7.8
127.07681	5.2
129.09206	1.7
141.09247	2.5
145.08717	58.1
146.09016	2.0
161.04530	1.7
161.92513	0.7
177.67534	0.8
187.09726	2.1
208.05200	0.7
295.77267	0.7
307.13995	100.0
308.14389	5.6
327.42624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95845	0.6
59.01385	52.6
66.66436	0.6
71.01390	21.5
71.30888	0.7
72.99294	0.6
73.02954	1.2
76.18111	0.8
83.01398	1.8
85.02969	4.8
87.00880	1.8
89.02459	19.0
93.22092	0.6
95.01399	2.5
96.96037	1.7
99.00888	0.6
99.08173	23.7
99.08827	1.3
101.02451	16.4
113.02464	9.2
113.09761	0.9
119.02761	1.0
119.03517	9.7
126.08183	0.6
127.07673	5.3
129.09230	2.2
131.03497	0.6
132.76550	0.6
133.03021	0.9
135.04541	6.7
141.09225	3.2
143.03532	0.7
143.07095	0.5
145.08723	71.7
146.09015	1.5
159.41612	0.5
161.02472	0.7
177.05547	0.6
179.03531	7.0
179.05630	1.0
187.09766	2.1
233.04660	1.6
238.20918	0.7
286.68381	0.6
307.14023	100.0
308.14383	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	307.1914
Annotation	Soraphen O
Peak:m/z	Relative Intensity
59.01380	10.7
65.03971	75.0
71.04673	10.2
71.05018	51.9
75.05973	8.5
83.03452	8.2
97.06595	85.0
98.05653	7.5
98.22636	18.3
101.39224	7.7
109.06653	8.1
115.70461	10.5
121.06610	99.2
125.09751	49.0
135.04549	14.7
148.65297	10.8
179.03618	9.0
185.11873	88.6
209.11890	36.6
211.13484	38.6
235.13385	100.0
235.43521	8.1
245.19264	15.7
255.05768	8.4
278.88864	9.4
289.18073	41.9
307.15527	15.7
307.19229	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.6
59.57706	6.5
71.44859	8.4
97.02975	8.0
97.06574	10.4
102.47578	6.0
123.04552	11.5
125.09765	13.0
126.01158	8.3
137.09747	11.5
154.00681	18.9
163.11292	14.5
185.11842	17.1
191.14433	19.1
207.10201	7.5
209.11942	32.5
233.15536	18.0
245.19151	37.4
289.18152	100.0
290.18591	6.1
307.15881	9.6
307.19162	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Soraphen O
Peak:m/z	Relative Intensity
59.01381	5.9
61.05376	2.1
70.91643	2.6
71.05032	3.5
73.10023	2.2
77.89672	2.4
82.96831	2.1
109.06593	14.6
111.04530	6.9
121.02992	2.4
127.07661	4.2
152.91727	2.6
195.13878	4.8
235.13481	2.5
245.19164	5.9
254.81342	2.6
289.18127	100.0
290.18323	8.4
307.15717	4.0
307.19174	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.5
57.72396	5.5
59.01366	13.5
61.98839	6.4
69.12760	36.2
71.01398	5.5
77.78983	4.9
79.28534	5.4
97.06600	25.9
98.22630	11.3
109.06566	7.5
111.08169	9.3
121.06613	15.6
122.67837	6.1
125.09727	20.3
135.04510	15.1
135.08176	16.8
136.92119	5.3
137.09763	8.9
149.09781	6.4
151.11282	20.5
153.09201	14.2
155.10747	10.4
163.11406	5.6
165.12904	26.0
167.10725	10.2
171.10330	35.0
179.03421	10.6
181.12364	20.4
185.11867	46.4
191.10837	7.7
191.14424	6.5
209.11890	44.0
211.13336	7.6
245.19080	37.7
256.62082	5.4
261.18387	9.3
263.20047	9.3
279.19656	9.7
289.18158	53.7
307.19186	100.0
308.19220	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	307.1918
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.32095	4.3
57.03448	5.6
58.71790	4.3
59.01385	11.1
61.98830	7.5
68.10624	4.4
69.10476	28.7
74.84556	4.9
83.05025	5.4
97.06593	16.4
98.22610	12.6
109.06593	6.1
111.08132	7.4
125.09829	4.2
135.04530	30.1
149.09634	6.1
151.11296	20.2
155.10780	19.8
161.02394	7.4
163.11366	5.5
165.12854	24.6
179.03514	35.6
179.10800	5.9
181.12376	15.9
191.10727	7.2
191.14372	7.5
201.87021	4.5
209.11789	35.5
211.13330	6.4
239.09212	5.0
245.19179	32.4
263.20093	11.6
271.17035	6.2
289.18155	49.2
307.15982	4.7
307.19135	100.0
307.22073	4.5
308.19397	7.4
325.92606	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	308.0566
Annotation	Aristoliukine B
Peak:m/z	Relative Intensity
65.99843	1.5
69.03456	3.8
69.72269	1.6
80.21355	0.6
88.54890	0.6
89.74462	0.7
97.02950	2.2
105.02209	4.5
111.92787	0.6
114.39556	0.6
117.03475	1.5
131.05038	6.9
133.01727	1.6
133.02965	2.0
134.03737	1.1
135.04063	1.1
136.04810	1.0
142.02988	43.3
143.03383	1.3
166.02995	5.2
175.03905	1.2
178.02744	1.5
179.03217	1.2
192.04520	2.1
208.04008	0.9
220.03975	4.5
221.04793	3.5
234.05554	0.8
236.03593	1.3
236.07217	1.0
237.04085	4.4
238.05089	0.8
248.03540	9.3
249.04308	57.8
250.04915	6.2
264.02911	1.6
264.06677	3.3
265.03818	5.8
266.04565	19.7
267.05231	5.0
276.03024	9.0
277.03796	2.1
280.06067	0.8
292.02527	2.4
293.03326	25.5
294.03647	1.3
308.05649	100.0
309.05966	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	308.0567
Annotation	Cepharanone C
Peak:m/z	Relative Intensity
60.26412	0.9
61.98868	1.1
62.69735	0.9
66.12529	0.9
79.60367	0.9
93.04482	1.0
96.44039	1.0
96.96107	1.1
100.69890	1.2
113.28275	1.1
182.03766	1.2
249.04300	1.8
252.60229	1.1
256.96100	1.1
266.02213	100.0
267.02563	6.6
308.05673	78.0
309.06006	4.1
309.20782	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	308.057
Annotation	Cepharanone C
Peak:m/z	Relative Intensity
50.03431	0.9
69.03546	1.5
69.23445	0.7
70.38209	1.0
70.38533	1.0
97.34111	0.8
102.17509	0.7
105.02346	1.1
117.03545	0.9
131.05190	2.9
133.01886	1.7
133.03081	1.6
135.04623	0.7
142.03017	17.8
143.03506	0.7
143.16666	0.7
143.75659	0.7
146.48012	0.6
155.03871	1.8
159.46434	0.7
166.03108	1.8
181.05524	1.5
192.04663	1.8
200.65150	0.8
204.98663	1.0
208.04149	3.1
209.04893	2.5
220.04097	0.7
221.04752	1.7
222.03429	1.1
236.03693	2.5
237.04317	17.2
238.04765	1.4
248.03583	5.1
249.04330	24.9
250.05034	1.4
264.03027	9.7
264.06735	2.4
265.03848	25.4
266.04483	8.0
267.05377	1.4
276.03159	2.0
277.03745	1.4
284.53769	0.7
289.18036	0.8
292.02478	3.0
293.03342	100.0
294.03638	5.8
299.98923	0.8
308.05646	42.3
309.05969	2.3
320.20380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83090	3.9
59.01382	22.7
63.64774	4.4
65.10409	4.4
69.30301	18.6
81.99121	17.4
83.09633	4.4
93.00101	4.4
96.95979	5.3
99.29875	5.2
103.14790	3.9
105.99118	96.6
124.00164	49.6
128.21399	4.2
141.99953	4.4
145.58426	4.2
151.03903	5.2
152.08469	10.1
209.15491	10.5
223.02869	7.7
224.02927	17.9
243.19710	16.5
244.20027	4.5
292.09320	43.7
308.18472	100.0
309.17252	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	308.187
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
57.11917	0.4
58.02975	1.3
58.23705	0.4
59.01363	0.4
59.53073	0.5
60.47264	0.4
61.98807	0.4
81.03434	0.5
83.85609	0.4
84.77098	0.4
98.22736	0.6
109.06593	0.7
114.09261	7.5
116.07188	100.0
117.07554	1.3
141.30211	0.4
165.12892	0.5
228.93739	0.4
308.18704	28.6
309.19052	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	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.5
69.65601	0.9
71.01388	20.7
72.99314	3.4
80.96549	1.4
87.00888	2.0
89.02455	2.5
89.03976	1.4
96.96005	2.2
104.56833	0.9
105.03510	0.9
115.00381	40.2
117.03485	3.2
118.24065	0.9
133.01445	82.7
133.02878	5.4
134.03754	100.0
135.04128	2.9
146.09091	1.1
148.04112	1.1
149.06094	3.9
152.77518	0.9
161.02557	1.9
162.05611	5.4
175.02498	3.1
177.01984	3.5
178.02669	2.4
193.05078	72.0
194.05461	3.3
233.06931	3.1
237.05548	1.9
253.05299	1.2
291.65115	0.9
292.08347	2.6
309.04013	6.1
309.10370	1.8
309.14261	1.8
330.55560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79917	1.1
53.48830	1.0
59.01377	3.0
69.24206	6.8
71.01390	22.2
89.03976	3.2
96.96011	2.1
98.21969	2.3
99.08169	1.3
115.00365	10.8
117.03477	9.4
133.01419	4.4
133.02986	1.9
134.03754	97.4
135.04280	2.3
145.08710	1.8
149.06079	8.3
161.02370	1.8
175.02586	1.4
177.02000	1.1
178.02731	5.3
192.00610	1.1
193.05072	100.0
194.05455	4.5
236.47020	1.2
237.05421	1.1
309.03815	5.4
309.14423	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	309.1713
Annotation	7-O-Demethyl-18-hydroxy-albocycline
Peak:m/z	Relative Intensity
55.01871	1.7
59.01376	2.8
66.59455	1.1
70.04001	3.1
82.08813	1.1
83.01396	24.2
95.01396	2.8
98.21995	1.2
99.00907	1.7
110.03759	2.2
115.84950	1.2
119.59692	1.1
121.03025	1.5
123.04543	1.9
136.05295	6.3
138.03253	4.4
149.06064	8.6
161.06218	1.2
195.13863	6.1
197.11916	1.5
207.10202	1.0
213.15034	2.1
217.15898	1.4
229.28941	1.0
235.17030	13.8
247.17070	8.3
248.17412	1.0
250.05054	3.0
261.14954	12.0
265.18094	16.1
273.15015	3.2
278.04599	7.3
279.16071	13.9
291.16083	16.0
291.19272	1.9
292.16168	1.1
309.17120	100.0
310.07330	13.5
310.17404	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	309.2076
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.70438	2.1
57.03448	3.5
58.23862	2.7
59.01376	7.1
70.52152	4.3
71.05025	28.8
71.18658	2.3
72.01307	1.9
95.05012	2.3
96.96006	2.2
97.06587	8.1
107.05036	4.0
114.20415	2.3
115.43948	2.4
119.08624	3.3
121.10223	5.6
125.09750	10.2
137.09738	36.0
141.12897	4.1
171.10291	74.6
172.10635	3.2
181.12408	2.4
183.10373	3.4
185.11884	14.0
195.13876	2.9
207.14038	3.3
218.59085	2.3
219.13860	2.8
221.15479	3.1
233.15442	3.7
235.17052	5.2
239.16551	2.0
247.20793	2.3
251.16568	27.9
252.17007	2.8
273.18738	3.9
291.19675	100.0
292.20035	9.8
292.29880	2.3
309.17459	3.4
309.20737	97.9
310.20984	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03458	2.3
59.01385	2.3
62.86822	1.0
67.01888	1.3
69.76582	3.3
71.79221	1.0
88.35236	1.2
91.98421	1.1
94.42841	1.1
96.96040	1.6
97.06578	1.2
111.08141	1.5
121.10256	13.3
125.09739	8.3
137.09724	3.3
162.05620	3.2
167.14447	1.3
171.10246	6.4
185.11850	10.3
195.13940	1.6
197.11803	5.6
205.03706	1.0
211.13408	67.5
212.13866	3.0
223.13379	1.2
247.20625	1.7
260.91568	1.2
278.04541	1.3
291.19690	100.0
292.20041	9.0
309.20773	13.7
310.20831	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51255	1.1
57.03421	1.9
59.01381	2.2
69.03437	7.5
69.68495	2.4
69.68878	1.8
80.30599	1.2
83.05022	4.0
84.55714	1.2
85.02958	4.1
93.03460	1.4
97.02962	66.1
97.06594	1.4
98.42027	1.2
99.00895	5.9
109.06606	1.9
111.08160	3.8
119.08666	6.0
121.06712	1.2
125.09734	2.4
127.11295	2.2
137.09741	24.7
151.04025	14.4
151.07664	7.9
152.08446	47.2
153.09120	2.6
155.10762	1.5
167.10866	1.6
171.10289	45.2
177.12875	3.3
185.11838	3.0
190.09953	2.5
193.08638	2.6
194.12465	1.4
195.13844	2.6
197.11909	1.6
208.11110	4.5
209.15474	45.7
210.15819	2.5
211.13316	2.2
221.11852	5.2
239.12956	5.3
247.16974	4.0
252.10034	8.4
265.18103	7.9
273.18683	6.4
291.16241	2.1
291.19638	32.1
292.20111	2.9
309.17075	74.2
309.20737	100.0
310.17447	7.1
310.21124	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.3
59.01370	6.7
66.56627	1.8
69.03459	6.5
69.16776	2.1
69.40793	9.4
77.43820	2.1
77.66362	1.8
97.02953	4.0
97.06595	2.3
99.00893	2.6
119.08684	12.4
125.09708	6.6
125.50977	1.9
127.11317	3.5
135.08115	4.2
137.09740	29.1
139.11380	2.6
151.04037	4.3
151.11250	3.6
152.08453	14.4
152.57799	2.0
153.09074	2.5
155.10760	3.4
162.10513	2.0
163.11331	2.3
165.09222	2.7
165.12788	3.2
167.10732	5.3
171.10283	100.0
172.10641	5.8
183.10321	4.7
183.13853	3.3
185.11841	26.5
190.09871	2.2
192.64398	2.0
195.10243	2.3
197.11787	2.6
201.11368	6.6
209.15475	16.5
213.11304	8.1
219.17592	3.1
225.15004	2.8
229.19514	2.3
247.20659	2.5
251.16528	4.6
265.18124	4.1
273.18591	6.9
291.16452	4.0
291.19702	64.4
292.20135	3.7
299.73114	2.1
309.17029	28.6
309.20688	42.7
310.17792	2.6
310.21133	3.6
315.85672	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55256	1.2
53.73055	1.1
57.03444	2.3
57.27747	1.2
59.01391	6.3
67.30650	1.5
69.03457	5.9
69.03823	1.2
70.98813	1.7
83.05035	1.7
89.38927	1.4
107.08647	2.3
108.05798	1.7
108.57063	1.3
119.08672	25.0
121.10199	2.0
123.08154	1.4
125.09717	9.2
127.11295	4.3
135.08139	3.1
137.09731	31.6
138.10165	2.0
139.11282	3.3
151.11288	2.7
153.09201	1.7
155.10808	3.9
157.12363	1.5
167.10760	6.5
171.10284	100.0
172.10625	5.7
183.10287	5.6
185.11848	27.4
187.19426	1.3
195.10271	3.8
197.11842	3.3
201.11354	7.0
209.15530	1.4
213.11366	9.2
229.19675	4.5
240.67381	1.3
247.20674	1.5
273.18637	11.6
291.19690	28.5
292.20032	2.6
309.20740	62.4
310.21103	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03936	1.0
69.47295	4.7
73.35100	1.0
89.52084	1.2
90.30800	1.2
97.06565	2.3
113.09747	2.5
115.07687	3.2
126.06882	2.5
129.09116	0.9
139.14842	1.0
141.09186	1.6
148.86549	1.1
152.08499	2.2
163.11287	1.2
165.12898	2.9
167.14444	2.2
181.12413	5.1
183.13907	1.6
193.12349	1.3
195.13943	1.9
209.15611	1.9
211.13359	5.4
221.15523	2.3
229.14281	1.8
240.13663	3.3
241.14537	1.0
245.19115	1.3
247.20709	5.8
269.67163	1.0
273.08304	1.0
273.18625	4.4
281.20981	1.5
291.19684	46.3
292.19940	3.4
309.17657	3.6
309.20731	100.0
310.21164	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32672	1.2
57.03444	5.4
57.19466	1.5
59.01364	2.6
69.03458	5.6
71.05032	2.1
71.96444	1.4
72.94625	1.6
75.44322	1.4
83.05064	3.3
85.06588	1.9
89.55220	1.4
94.76366	1.3
97.02964	33.2
97.06596	3.8
98.22591	1.7
109.06650	2.1
111.08156	1.9
118.31990	1.4
119.08694	2.2
125.09724	3.9
131.90834	1.4
137.09718	7.4
141.12866	1.5
163.11305	5.1
165.12881	10.6
171.10291	19.7
179.14496	3.1
181.12411	3.8
183.09999	1.5
183.13951	3.1
193.12378	5.3
193.15909	2.3
195.13965	7.8
209.11812	6.4
211.13329	2.7
221.15517	5.3
223.13422	6.3
227.12921	6.0
239.12845	1.8
239.16560	1.7
247.20729	11.4
248.20934	2.1
273.18719	4.5
291.19699	100.0
292.20001	8.3
309.20746	80.1
310.21066	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.62176	1.6
55.01871	1.6
57.03456	3.0
58.63050	1.7
59.01376	4.0
61.80312	1.6
62.30087	1.5
67.01867	2.1
69.03471	2.2
71.05026	3.9
72.05295	1.6
76.16307	1.8
78.84308	1.5
80.02669	13.7
81.03475	5.2
83.05035	38.1
84.02184	15.8
87.11807	1.6
95.05005	2.7
96.96004	2.5
97.06590	7.7
98.03698	1.7
99.00871	2.3
99.08171	6.5
109.02991	1.6
109.06601	3.3
111.08141	2.6
113.09707	3.1
114.08437	1.7
115.07655	5.4
116.00865	1.9
123.04575	3.5
125.09734	8.2
125.62637	1.6
127.11286	5.7
137.09729	65.5
138.10092	3.6
139.11293	14.1
146.58214	1.9
149.69209	1.7
151.04022	2.3
151.07635	3.6
151.11317	4.5
152.08450	13.0
153.09206	9.9
155.10802	56.6
156.11067	1.9
163.11374	1.6
165.12917	2.4
167.10754	7.1
169.12366	2.5
171.10284	70.1
172.10648	3.1
184.46506	2.0
185.11946	2.0
193.12347	33.9
209.11913	5.5
209.15488	12.8
211.13400	6.2
247.20732	5.4
252.09988	3.1
263.20172	6.4
265.18024	2.3
265.21616	5.2
291.19693	100.0
292.19955	9.6
300.61304	1.6
302.81918	1.9
309.17136	21.1
309.20724	88.3
310.17654	2.6
310.20901	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.2
59.01395	4.2
71.05043	3.1
71.08414	3.0
80.02676	8.6
81.03442	7.6
83.05029	34.9
84.02161	14.1
85.60892	2.6
96.96044	3.5
99.08179	7.0
109.06557	3.8
118.19711	2.4
125.09721	3.4
127.11320	6.4
137.09737	49.5
139.11288	9.2
151.03932	4.2
151.07626	6.8
151.11313	4.6
152.08427	19.3
153.09201	9.1
155.10791	47.5
156.11206	4.7
167.10812	4.7
171.10275	50.6
192.57436	3.1
193.12347	25.6
197.11874	3.6
209.11884	3.6
209.15453	17.0
211.13547	3.1
247.20667	8.3
263.20148	6.8
265.18076	3.1
265.21829	7.6
291.19702	100.0
292.19916	6.5
309.17081	36.2
309.20746	66.0
310.17529	4.1
310.21088	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83277	1.3
53.64998	1.0
57.03460	2.4
57.83390	1.2
59.01377	5.1
59.80170	1.1
61.98837	2.0
62.74485	1.1
69.03460	1.6
69.08221	8.2
80.02714	1.7
81.03473	3.9
83.01400	7.6
83.05041	3.4
97.02969	1.5
97.06612	4.5
98.03724	1.9
99.00893	2.0
99.08104	1.3
109.06599	1.6
111.08174	1.4
121.02987	1.4
123.04540	4.6
123.08183	5.4
125.06092	2.0
125.09720	11.2
127.11312	2.6
135.08163	1.8
137.09714	2.9
139.11295	10.2
151.04004	3.1
151.07654	2.9
151.11295	1.5
152.08417	5.6
155.10843	1.4
163.11270	6.8
165.12883	14.0
167.10820	5.6
171.10271	5.1
181.12375	4.3
181.36440	1.1
183.13858	2.8
185.11830	5.0
191.10767	3.3
193.15892	6.2
197.11797	1.6
207.10265	1.5
209.11839	49.5
209.15221	7.6
210.12218	1.8
219.17561	1.8
247.20680	10.9
248.21158	1.5
264.33328	1.3
265.18335	1.5
265.21667	5.4
273.18585	4.3
291.19681	100.0
292.20029	7.0
297.37802	1.5
309.17096	12.3
309.20737	28.4
310.17789	1.7
310.21118	2.8
332.13687	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.6
71.43237	3.2
78.31271	3.1
80.02694	6.9
96.96029	4.5
99.00906	5.0
116.42251	2.9
123.08174	20.6
125.09723	21.2
127.11324	7.2
137.09711	12.9
139.11285	6.0
145.66486	2.7
149.68091	3.0
151.04080	7.7
151.07671	4.2
152.08434	17.7
155.10806	50.4
167.10785	8.4
171.10287	100.0
183.92690	3.1
185.11848	83.0
198.97563	3.5
209.15540	20.0
210.15749	3.2
247.20683	6.8
255.63771	3.5
263.20184	11.2
265.21747	5.7
281.21231	10.8
291.19650	35.2
309.17056	41.1
309.20728	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.14977	4.6
59.01395	8.6
61.98833	6.7
69.03474	6.8
69.80064	17.0
78.58509	4.8
80.02681	6.7
94.67458	4.6
96.96025	10.0
97.02967	5.5
104.42557	5.6
120.80693	5.3
122.62867	6.6
123.08171	17.1
125.09754	14.3
127.11308	9.3
131.50990	5.0
134.69296	4.9
137.09749	20.4
139.11263	5.7
151.04024	14.2
151.07666	15.3
152.08434	37.9
155.10789	41.9
171.10272	100.0
172.10674	5.6
179.66234	5.3
185.11844	86.6
209.15468	31.9
212.10638	7.6
247.20717	7.4
252.10229	7.5
263.20248	6.3
281.21167	12.3
291.19653	50.8
293.69742	5.8
309.17105	57.8
309.20779	40.2
310.21127	5.9
326.53329	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	310.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05355	1.8
52.73723	1.7
59.01373	6.4
61.98838	46.5
68.21830	1.5
71.01382	4.1
83.11693	1.7
87.00869	4.1
89.02455	12.4
119.05016	5.6
120.04583	2.2
121.02969	16.2
131.03506	3.0
133.02940	5.1
134.03815	8.1
135.04587	18.0
146.02469	4.5
147.03235	6.8
148.04060	100.0
149.00941	8.9
149.04568	45.5
150.03241	5.1
157.87975	1.5
161.02350	2.0
162.01999	4.5
162.84016	2.4
163.03951	3.6
165.04050	7.6
165.05338	1.7
179.03519	14.7
193.05090	2.7
194.05489	6.2
207.06848	3.4
208.07664	8.8
218.06133	3.5
233.07121	3.1
234.05496	2.5
235.06200	2.1
236.05022	2.9
236.07205	26.6
249.06557	1.8
250.07207	2.3
261.06644	2.2
276.77304	1.9
277.06012	1.9
279.07687	5.1
295.07150	4.6
309.89322	1.9
310.09393	10.1
310.12958	3.8
311.10461	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	310.0725
Annotation	Furoparadine
Peak:m/z	Relative Intensity
51.55688	0.2
59.01362	0.3
67.59858	0.2
69.41055	1.0
75.16203	0.2
87.89220	0.2
98.21823	0.2
104.65193	0.2
133.79613	0.2
146.02425	0.2
183.04636	0.2
191.98227	0.2
194.06133	1.2
195.06784	0.2
197.06082	0.2
203.23170	0.2
206.06250	0.3
207.04529	1.0
207.06737	0.3
208.05324	1.7
211.04007	1.0
221.04732	0.6
222.05603	3.8
223.06186	4.9
224.06602	0.2
232.04141	0.3
233.04854	1.3
234.05615	7.9
235.03993	0.8
235.06050	0.4
249.04350	2.5
250.05107	23.2
251.05800	7.6
252.06500	0.7
266.08340	0.2
267.06659	4.7
268.06915	0.3
276.80182	0.2
277.03708	1.2
278.04599	81.7
279.04926	5.8
292.06158	0.8
310.07224	100.0
311.07578	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	310.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00674	0.4
59.01377	0.9
61.98808	0.4
71.01387	0.5
93.03473	1.7
121.02966	38.0
122.03303	1.2
147.03320	0.9
148.04059	100.0
149.04405	3.3
160.04007	0.8
162.05579	1.5
164.47583	0.4
192.18221	0.5
197.50040	0.4
220.06158	0.6
269.37448	0.4
310.09280	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	310.0935
Annotation	Holocalin
Peak:m/z	Relative Intensity
51.02875	0.3
55.10106	0.5
59.01379	2.0
69.08090	0.4
70.65734	0.4
71.01390	0.8
72.55069	0.4
79.01886	0.4
87.00884	0.5
89.02459	1.0
93.03481	1.1
101.02461	0.5
120.48415	0.4
121.02966	100.0
122.03271	3.2
123.04569	0.6
135.04517	1.3
137.02431	1.9
144.04614	0.4
146.02457	0.8
147.03297	2.3
148.04056	71.0
149.00917	1.6
149.04408	2.4
160.04062	1.8
170.29057	0.4
179.03555	1.3
190.05171	0.5
191.69109	0.4
268.52460	0.4
310.09387	2.8
311.05264	0.7
314.29913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58153	0.5
70.58482	0.3
81.86203	0.3
85.96841	0.3
93.03458	1.2
102.78322	0.3
121.02968	100.0
122.03272	2.6
132.77007	0.4
147.03358	0.5
148.04062	54.5
149.04427	2.2
161.59076	0.4
190.05193	0.3
308.51633	0.3
310.09387	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	311.0412
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
51.03875	0.8
52.08707	0.8
55.28653	0.9
55.28935	0.9
59.01381	24.2
61.32170	0.8
61.98839	1.1
66.21243	1.0
70.79656	1.3
71.01406	1.9
72.99321	8.3
83.05046	2.0
85.98050	1.0
87.00881	19.2
103.00385	3.9
107.05034	2.1
121.02963	2.7
130.99922	1.4
134.03760	5.1
135.04536	57.6
136.04936	1.1
147.03323	4.6
148.03693	2.8
149.00929	100.0
177.05644	1.3
179.03511	50.3
180.03850	1.8
189.05595	2.4
311.08078	1.2
311.11395	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	311.0411
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
55.69040	0.7
55.94877	0.7
59.01382	11.1
62.68552	0.6
62.83624	0.7
62.92272	0.7
69.75676	1.0
69.76031	2.3
71.01381	5.4
72.22044	0.7
72.99314	8.9
73.02941	5.5
75.00871	1.7
83.01380	1.5
87.00885	21.3
89.02451	23.9
101.02438	1.6
103.00352	4.4
103.04015	1.9
105.01949	1.1
107.05035	3.1
110.04922	0.7
112.98812	1.1
118.69939	0.6
119.05036	1.8
121.02964	1.1
123.00950	0.8
128.32103	0.7
130.99879	1.1
131.03513	6.7
133.02979	2.7
134.03761	8.4
135.04541	96.9
136.04868	3.1
137.02461	3.0
148.04068	2.3
149.00938	95.3
149.04567	100.0
150.01294	2.8
150.04904	2.0
153.05640	0.8
161.02422	5.1
162.49887	0.6
163.04056	2.0
163.97186	0.7
165.04044	2.5
179.03513	75.3
180.03810	3.4
186.89310	0.6
197.04570	1.3
203.82152	0.7
204.57291	0.7
224.85300	0.7
229.50603	0.8
296.22736	0.7
311.07794	4.0
311.11301	1.2
317.06903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
57.57384	0.4
59.01378	2.2
71.02509	0.7
71.43655	0.4
79.74468	0.4
91.05541	0.6
92.98595	0.4
102.29923	0.5
105.01888	0.4
109.02959	1.1
118.33131	0.4
121.02958	2.9
124.54414	0.4
127.85079	0.4
135.00906	0.7
135.04558	0.7
143.04976	0.5
147.04494	0.6
149.00902	1.0
153.01950	0.7
158.02530	0.7
164.07191	0.4
167.05022	0.7
171.04572	1.0
175.03986	0.4
175.08794	0.6
179.03474	0.5
183.04575	0.6
195.04515	1.9
195.34972	0.4
196.05345	1.1
197.06154	2.7
199.04012	1.9
211.04028	4.2
213.05594	1.7
222.05569	0.5
223.03970	1.0
239.03474	4.4
241.05084	11.9
242.05281	0.6
266.02197	8.7
266.04697	1.0
267.03003	100.0
268.03348	6.9
268.06195	2.4
284.05740	2.5
294.04129	3.9
311.06891	3.4
311.10291	0.7
311.14099	2.8
320.73553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
53.83757	0.5
56.48476	0.7
59.01385	7.0
59.94231	0.6
69.52203	1.7
69.52616	1.2
71.01387	4.8
72.99310	7.0
73.02957	4.4
75.00865	1.0
87.00888	15.2
89.02451	27.8
98.22659	1.1
101.02477	0.8
103.00395	3.0
103.04020	2.9
105.01968	1.5
107.05035	1.8
109.02987	0.6
111.26012	0.7
119.05032	1.4
121.02966	0.7
126.73994	0.6
129.01904	0.6
130.99890	0.9
131.03519	7.3
133.02950	1.4
134.03772	8.1
135.04539	72.5
136.04848	1.9
137.02449	1.5
149.00935	57.8
149.04567	100.0
150.01273	1.0
150.04919	2.1
161.02475	4.2
163.04012	1.9
165.04080	3.0
172.72728	0.7
179.03514	52.8
180.03900	2.4
183.13954	0.6
311.07928	1.5
330.50879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52269	0.9
57.03454	1.1
59.01370	4.8
61.82944	0.9
65.00316	2.2
68.99830	1.1
69.03469	4.7
71.01389	2.2
73.02952	1.6
81.03471	4.1
83.01390	18.7
87.00874	1.4
87.04543	2.0
93.03463	4.3
95.01379	7.3
96.96038	1.7
97.02941	2.1
97.06584	1.0
98.21865	2.2
101.02472	1.3
109.02972	8.3
111.00908	1.4
113.02535	1.7
121.02965	14.1
122.00086	6.1
123.00894	20.1
123.01755	1.5
124.01220	1.3
127.00389	2.2
127.71518	1.0
131.03516	1.7
135.04533	3.7
136.98817	1.0
137.02452	54.4
137.99553	1.1
138.03256	6.7
139.00369	4.5
141.01982	1.1
149.00914	4.1
149.02461	2.7
150.03215	1.8
153.01945	2.7
153.05597	13.0
155.03525	12.4
163.09999	0.9
166.99878	11.9
167.07169	1.0
176.46736	0.8
179.03490	3.1
181.01439	44.2
181.03065	2.3
182.02231	14.9
183.02902	1.4
196.03818	2.3
197.04558	61.2
198.04951	2.2
211.06134	2.3
213.96332	0.9
218.69089	0.9
237.04097	1.6
252.06232	1.5
267.08896	1.9
281.02997	21.9
296.05368	50.8
297.05753	3.5
306.52966	1.1
311.07748	100.0
312.07782	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
56.00381	0.7
59.01389	8.8
63.53423	0.8
65.28880	0.7
67.91863	0.8
70.72192	1.6
71.01389	10.3
72.99317	3.2
73.02957	6.9
75.00878	2.1
85.02978	1.3
87.00901	7.5
89.02455	29.0
93.03484	1.5
96.52229	0.8
96.95992	0.9
99.00900	4.8
101.02451	2.5
103.00393	1.0
103.04026	1.8
107.05029	0.9
109.02951	5.3
111.00911	2.7
119.05042	66.4
120.05384	1.8
121.02979	1.9
131.03532	7.1
133.02959	6.2
134.03757	3.6
135.04546	52.1
136.04915	2.2
137.02486	1.4
138.67761	0.9
147.03041	5.0
147.04410	0.7
148.04102	3.4
149.00954	23.5
149.04570	100.0
150.04868	1.8
161.02467	14.5
161.39705	0.8
163.04030	95.8
164.04358	2.4
165.04112	4.6
168.40274	0.9
177.02046	1.4
177.05630	5.6
179.03520	35.3
180.03868	1.4
189.02135	1.0
194.06149	1.4
207.06950	2.9
208.07671	5.7
209.08344	0.9
221.04623	8.9
235.06631	1.2
236.07208	12.3
237.07562	1.4
267.11581	0.9
279.07730	2.4
311.08179	5.9
311.29480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0928
Annotation	CHEMBL1945702
Peak:m/z	Relative Intensity
51.32762	1.3
53.87919	1.5
54.32828	1.3
59.01365	5.0
73.38850	1.5
79.54027	1.7
96.96036	2.8
98.22646	5.7
105.01962	1.6
132.18864	1.7
135.04518	1.6
145.02953	2.8
145.26846	1.5
149.00958	1.9
151.04001	4.1
164.56717	1.6
178.02606	1.8
181.06577	4.3
196.05267	2.5
197.06100	4.8
208.05247	2.1
209.06024	13.5
224.04768	3.3
225.05554	12.8
236.04819	4.9
237.05605	10.8
238.06123	1.9
240.07962	5.4
252.04227	4.3
253.05081	88.5
254.05394	6.6
264.04538	1.5
265.05048	39.6
266.05743	11.0
267.06555	4.6
268.07379	8.7
279.06662	5.2
280.07425	32.5
281.04584	100.0
281.07986	6.7
282.04938	5.2
284.06497	2.2
295.06046	9.2
296.06937	73.6
296.10077	2.8
296.29044	1.6
297.07248	5.5
311.05646	4.2
311.09262	59.5
311.12396	2.1
312.09576	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	311.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	12.2
59.01383	98.2
61.59262	1.5
68.87484	1.5
69.03460	1.9
70.53146	3.6
71.01392	47.1
72.96937	1.5
72.99331	2.0
73.02955	2.2
75.00886	1.8
83.01394	6.7
85.02948	9.9
87.00867	8.7
87.04532	2.3
89.02454	51.6
89.03014	3.0
95.01406	4.0
99.00880	2.3
99.42049	1.5
101.02451	100.0
103.00418	2.9
113.02469	22.8
115.70636	1.5
119.03516	21.1
129.35464	1.7
131.03517	62.2
135.04549	14.0
138.93069	1.5
143.03517	4.0
143.26891	1.5
149.00929	21.6
149.04550	2.8
161.04588	7.1
175.91779	1.7
179.03514	8.2
179.05656	15.3
179.10164	1.7
181.07216	4.8
222.50664	1.6
227.23938	2.2
237.16476	1.6
241.87605	1.9
259.33298	1.6
273.51575	1.7
311.05579	5.5
311.09854	36.2
312.05215	1.9
312.10184	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	311.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.3
58.00620	1.3
59.01383	92.0
69.03473	3.5
69.24477	5.5
69.24882	2.6
71.01389	42.9
73.02946	5.4
73.64480	1.2
83.01397	5.7
84.95397	1.4
85.02950	8.5
87.00877	1.4
87.04520	3.1
89.02453	59.7
95.01399	3.1
101.02453	100.0
113.02455	26.2
119.03516	24.2
121.89828	1.4
122.37344	1.3
131.03517	73.6
143.03540	3.7
144.91205	1.4
149.04593	3.5
161.04562	8.0
179.05627	20.2
181.07256	1.4
284.42023	1.6
311.06165	1.9
311.09872	37.5
312.10001	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0985
Annotation	Vicianose
Peak:m/z	Relative Intensity
57.03453	12.2
59.01383	98.2
61.59262	1.5
68.87484	1.5
69.03460	1.9
70.53146	3.6
71.01392	47.1
72.96937	1.5
72.99331	2.0
73.02955	2.2
75.00886	1.8
83.01394	6.7
85.02948	9.9
87.00867	8.7
87.04532	2.3
89.02454	51.6
89.03014	3.0
95.01406	4.0
99.00880	2.3
99.42049	1.5
101.02451	100.0
103.00418	2.9
113.02469	22.8
115.70636	1.5
119.03516	21.1
129.35464	1.7
131.03517	62.2
135.04549	14.0
138.93069	1.5
143.03517	4.0
143.26891	1.5
149.00929	21.6
149.04550	2.8
161.04588	7.1
175.91779	1.7
179.03514	8.2
179.05656	15.3
179.10164	1.7
181.07216	4.8
222.50664	1.6
227.23938	2.2
237.16476	1.6
241.87605	1.9
259.33298	1.6
273.51575	1.7
311.05579	5.5
311.09854	36.2
312.05215	1.9
312.10184	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	311.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.9
59.01381	100.0
71.01381	52.5
72.99326	9.5
73.02956	17.5
74.02464	7.9
75.00917	10.2
77.23821	7.6
85.02953	16.0
87.00892	22.4
89.02448	77.1
92.27422	7.8
96.96004	31.8
97.77457	8.1
99.00884	24.6
101.02462	48.5
105.01952	18.0
109.02935	10.1
113.02412	9.6
118.91029	8.3
121.02979	15.0
124.04148	8.1
131.03546	21.1
133.02963	37.8
134.03761	18.8
135.03589	11.8
135.04543	64.8
149.00961	60.1
149.04590	50.1
179.03528	34.5
191.05569	15.3
223.07784	9.7
237.13287	9.2
267.06393	13.1
269.14023	25.6
311.05652	50.3
311.08899	10.1
311.11581	10.1
311.15244	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.9
70.86088	2.9
71.01372	4.8
72.99302	3.9
75.00875	5.1
83.01376	2.1
87.00874	5.1
89.02458	7.6
93.03429	2.3
101.02480	2.5
107.05030	1.9
109.02917	2.2
119.05023	4.5
120.04589	12.3
121.02965	6.3
131.03444	2.6
133.02963	7.0
134.03687	2.4
135.04538	19.6
136.14268	1.9
146.02477	4.5
147.03285	13.8
148.01643	2.3
148.04079	61.1
149.00946	14.7
149.04562	16.4
150.80826	1.8
161.02435	2.9
161.16191	1.8
162.05658	4.9
163.03989	4.2
165.04042	8.2
173.03482	4.5
175.05151	4.4
179.03520	14.4
188.05934	2.3
194.06197	5.6
195.05640	2.5
206.06110	4.0
207.06888	18.3
208.07692	34.0
209.08107	2.9
212.35388	2.2
215.73769	1.7
218.06174	10.2
219.06920	6.2
220.07726	2.6
221.04881	3.9
232.06465	2.4
233.07217	17.5
234.05598	5.1
235.06352	7.8
236.07188	100.0
237.07671	3.6
247.85132	1.8
249.06573	2.1
250.07571	2.6
251.08191	7.1
261.06647	3.3
277.06036	2.4
279.07803	18.0
296.07874	2.5
311.07544	2.4
311.10498	10.8
311.14877	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	311.1292
Annotation	Nordentatin
Peak:m/z	Relative Intensity
51.37541	0.8
54.60988	0.8
59.01380	2.5
89.03986	2.0
102.72289	0.8
122.83154	0.8
139.11336	1.4
153.12938	1.0
157.08833	4.0
157.10106	4.1
158.03690	1.0
171.10321	5.0
177.09451	0.9
184.08748	0.9
196.05315	0.8
199.03947	1.1
199.09470	0.7
213.05469	1.0
214.06328	1.1
224.04729	1.0
227.07141	1.6
229.08762	4.0
237.05664	1.4
238.06281	1.3
239.07222	2.3
241.05145	1.6
249.05449	0.9
252.06699	0.9
253.05077	1.5
255.06665	3.5
256.07468	4.7
267.06665	1.7
269.11938	1.1
273.10974	0.8
279.10284	1.4
280.47128	0.8
289.54446	0.7
293.11859	6.0
293.21115	6.0
295.09760	2.2
296.10461	1.5
311.12930	100.0
311.16327	3.6
311.22275	18.0
312.13327	8.2
312.22583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
64.91465	1.2
70.04166	3.7
71.01392	10.5
72.18499	1.2
73.02964	4.9
78.95889	1.1
83.01398	2.5
85.02962	4.8
89.02449	3.6
95.01424	1.2
98.21928	1.4
98.72633	1.3
101.02439	12.3
113.02460	6.8
122.46760	1.2
134.04768	3.1
135.04575	2.0
149.00952	2.8
152.91785	2.2
161.04591	12.0
181.07314	1.4
200.55977	1.2
230.71924	1.3
251.04085	1.8
251.11324	20.7
290.91510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84306	0.3
54.49584	0.3
56.55205	0.3
66.03430	0.4
71.40258	0.3
79.95718	2.0
84.47427	0.3
96.96032	0.4
98.95592	0.9
119.05035	1.7
149.00867	0.5
170.00461	1.5
183.01213	57.1
184.01970	5.8
197.02817	2.5
198.03596	0.8
211.04434	0.3
216.00902	1.0
225.05904	0.8
237.00461	0.3
239.07553	0.4
247.20599	0.3
300.58847	0.3
311.16885	100.0
312.17236	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	311.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	2.6
59.01374	0.7
64.07982	0.3
69.03463	1.1
70.34335	0.7
70.34706	0.6
71.05029	24.7
72.05373	0.6
97.02966	8.1
109.06630	0.3
115.04027	100.0
116.04367	2.3
125.09760	0.4
127.07677	1.1
127.11271	0.5
155.10844	0.4
171.10310	0.6
183.13918	7.5
195.13924	3.1
201.11336	5.3
213.14987	17.0
214.15321	0.7
223.13353	0.5
241.14554	1.5
275.20123	0.5
293.21201	1.6
311.22305	22.7
312.22589	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	311.1866
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
54.39278	0.7
55.93798	0.7
57.00952	0.7
59.01379	1.7
61.98837	1.5
67.47591	0.7
71.05018	1.3
84.02175	2.7
97.06607	1.1
99.08184	0.8
109.06617	2.6
111.08162	1.0
113.09745	0.8
121.03001	1.0
122.03754	1.0
136.05318	1.0
153.12881	1.1
157.08725	2.7
160.32747	0.8
167.14438	2.0
174.05402	0.9
179.03384	0.8
183.10231	2.5
183.13911	7.3
184.10675	0.7
207.17537	0.9
211.13443	0.8
223.20752	1.9
249.18637	4.6
261.35150	0.7
267.19653	100.0
268.19971	6.9
275.16574	6.7
292.24722	0.8
293.17645	37.4
293.21194	4.5
294.18015	3.4
311.05670	1.1
311.12820	3.2
311.18613	32.5
311.22284	32.3
312.19104	3.4
312.22665	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	311.202
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.94037	0.2
56.03531	0.2
56.44002	0.2
57.44759	0.2
61.98826	0.6
64.51737	0.2
67.90164	0.2
68.65623	0.2
69.74582	0.5
75.86467	0.2
86.17364	0.2
92.92831	0.3
98.95595	0.3
119.94695	0.5
122.73273	0.2
133.06601	2.7
149.09731	100.0
150.10077	3.7
163.93871	0.2
168.28955	0.2
183.01221	9.0
184.01979	1.3
188.19469	0.2
192.20522	0.2
197.02722	0.3
222.98294	0.2
243.06511	0.4
311.16861	17.3
311.20212	52.2
312.17178	1.5
312.20566	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03459	0.7
59.01378	1.9
64.82659	0.6
71.01402	0.6
71.21652	0.7
74.02946	0.6
81.03476	0.6
83.05025	5.4
83.98309	0.6
87.80612	0.6
97.06618	1.3
98.21957	0.7
108.02208	0.6
111.08157	1.2
139.11331	0.9
156.20061	0.7
157.08717	17.3
167.10884	0.7
171.10329	0.8
179.14406	1.6
183.35544	0.6
186.06917	0.7
195.13940	14.5
205.12334	1.8
211.13489	1.1
213.14987	2.9
223.13402	5.6
225.15030	0.8
236.82573	0.7
241.14453	8.1
275.20053	2.3
293.21347	3.6
311.22305	100.0
312.22668	7.7
314.28241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.82758	0.6
55.01864	0.7
58.27367	0.5
69.19798	2.6
71.05019	3.4
75.29053	0.7
80.02682	3.1
83.05035	1.3
84.02175	18.4
97.06611	1.9
99.08168	5.1
109.06597	24.1
110.06889	0.9
127.07665	11.0
174.03232	2.2
183.13904	50.5
184.01228	0.6
184.14281	2.2
189.04897	0.6
190.02861	0.6
199.06306	0.5
221.15431	0.9
239.16582	1.3
267.19794	0.6
269.08264	1.9
293.21265	4.7
311.12906	5.2
311.22290	100.0
312.09991	1.1
312.22620	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.18337	0.5
58.00600	12.1
59.01374	1.1
65.74500	0.5
70.03262	0.7
70.03580	0.7
71.76098	0.4
73.02955	1.6
80.02700	0.5
98.02981	0.4
109.06596	2.8
110.71033	0.4
127.07657	10.3
148.80217	0.4
151.51721	0.5
171.10237	0.6
183.13918	31.5
184.14272	1.3
195.13945	2.0
206.52603	0.4
211.13483	1.0
213.14996	10.0
223.13487	3.0
234.33656	0.5
238.04091	0.5
241.14456	9.4
275.20206	1.4
293.21255	11.4
294.21414	0.8
309.20932	0.5
311.22302	100.0
312.22665	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.50174	0.6
57.03459	1.3
59.01374	2.7
65.13866	0.7
69.03458	0.8
69.15217	1.7
69.15622	3.3
71.05003	0.7
73.42423	0.7
97.02969	1.2
97.06595	1.5
99.08169	1.1
113.09743	5.2
119.78381	0.8
121.10218	2.3
125.09756	1.3
127.11255	1.3
129.38901	0.6
137.09735	0.9
139.11302	22.9
141.12852	0.8
150.31116	0.7
153.09209	1.2
155.10788	2.8
165.12831	1.0
167.10803	1.0
171.10284	40.4
172.10594	1.1
179.10741	1.0
185.11873	2.4
195.14020	1.4
201.11404	2.1
211.13388	4.9
249.22157	1.7
275.20117	2.0
293.21234	30.7
294.21658	2.4
311.22299	100.0
312.22656	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03439	1.6
59.01376	2.0
69.03431	1.5
69.12437	0.9
70.48882	1.7
83.05034	1.6
97.02965	2.0
97.06614	1.4
98.89765	1.0
99.08162	3.2
101.39012	0.8
108.02185	1.0
113.09718	4.6
121.10255	3.2
125.09743	1.9
127.11259	1.2
139.11319	12.3
165.12860	1.5
167.10764	1.7
171.10280	28.1
172.10588	1.3
185.11835	2.5
193.12386	10.6
197.11887	1.4
211.13446	7.8
275.20123	1.2
293.21249	24.4
294.21588	1.6
311.22296	100.0
312.22635	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.68963	0.7
55.58701	0.7
58.00597	7.7
59.01387	1.4
61.98835	0.9
71.19258	0.7
73.02960	1.9
75.69124	0.6
87.09621	0.7
93.79829	0.7
108.87654	0.7
109.06610	1.4
109.21695	0.7
110.58043	0.7
125.09740	3.8
127.07674	4.3
127.11299	5.6
137.09750	0.7
139.11211	0.7
139.36018	0.6
145.25974	0.8
155.10779	3.0
165.09225	1.6
171.10304	6.7
183.10321	0.9
183.13924	17.3
184.14363	1.4
199.09912	1.3
201.11356	43.6
202.11690	1.1
211.13432	1.2
213.14937	6.8
222.04134	0.8
223.13387	1.3
241.14413	4.4
275.20294	3.4
293.21228	8.1
311.22302	100.0
312.22610	7.0
316.66992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03451	1.4
59.01370	0.9
61.98810	0.9
70.63215	1.5
83.05040	1.5
86.90482	0.9
90.12760	1.0
97.02976	0.9
99.08153	1.8
112.35250	1.0
121.10249	2.9
123.08298	1.4
125.09749	3.6
127.11313	4.6
137.09781	1.0
139.11310	13.7
141.12917	1.6
151.11292	0.9
155.10776	2.6
167.10783	1.7
171.10291	60.1
172.10548	1.1
181.12346	1.1
183.10257	5.2
183.13928	1.7
185.11847	11.9
188.55675	1.0
193.12381	5.9
197.11885	1.6
201.11327	10.7
211.13358	6.7
225.14969	2.9
249.22186	0.9
275.20230	5.8
293.21274	30.2
294.21613	2.6
305.75842	1.0
311.22290	100.0
312.22656	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.59334	3.6
59.01386	3.2
60.07871	2.8
61.98836	4.9
63.76521	2.4
70.08103	7.7
74.96186	2.5
75.81721	2.7
86.94033	2.8
119.16682	2.5
139.11362	3.2
139.62569	2.5
171.10306	12.5
183.13890	4.6
195.13885	6.5
230.23618	3.7
247.33871	3.0
253.04190	3.0
293.21320	13.4
311.16925	11.5
311.22305	100.0
312.22638	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	311.223
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
56.48709	1.1
57.03439	2.8
70.36433	2.3
86.50630	1.2
113.09758	1.2
116.93600	1.3
121.10229	1.9
125.09734	4.2
127.11308	7.4
137.09711	1.7
139.11304	15.2
155.10823	3.7
165.09157	1.5
171.10283	78.2
172.10625	2.4
183.10292	5.9
183.13960	1.3
185.11819	14.2
188.82968	1.2
197.11916	2.2
201.11369	11.9
211.13440	3.4
252.19550	1.5
266.99554	1.3
275.20081	6.4
293.21259	21.1
311.22299	100.0
312.22586	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03440	0.7
59.01380	1.4
69.07804	0.5
71.98763	0.5
73.38844	0.5
79.52195	0.5
94.92543	0.7
97.06596	1.0
98.21867	0.7
106.34459	0.5
119.94759	0.7
123.08225	0.8
125.06175	0.6
125.09734	4.2
137.09776	0.5
139.11314	2.1
141.09233	2.3
141.12875	1.2
143.10759	0.7
145.53647	0.5
148.47046	0.5
153.09251	1.7
155.14429	2.3
157.12344	1.2
169.08737	0.6
171.10292	2.5
183.01295	0.8
183.13948	0.7
185.11797	0.5
199.09851	0.9
200.10574	3.5
249.22205	1.9
261.23221	0.5
265.21701	1.2
267.23242	1.3
275.20233	0.9
293.21243	7.4
311.22311	100.0
312.22632	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01379	2.4
60.05917	0.9
61.98829	1.2
62.09612	0.7
66.03909	0.8
69.22251	4.2
92.40958	0.9
106.76432	0.8
111.67200	0.8
113.58925	0.9
116.92826	1.1
125.09738	1.7
139.11320	3.0
155.10789	6.1
183.10281	47.3
184.10660	1.4
263.20160	1.0
285.11169	0.9
293.21170	4.0
311.22318	100.0
311.94299	1.1
312.22607	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	312.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70788	2.1
59.01377	2.9
67.01945	1.7
69.58835	3.2
69.59236	7.0
76.39922	2.0
90.06322	2.0
93.03445	1.9
99.85349	1.8
118.03016	2.4
120.04554	2.2
121.02959	6.7
125.02483	10.3
133.02940	6.4
142.90883	2.0
146.02525	5.5
147.03279	9.2
148.04059	100.0
177.88474	2.0
189.54877	2.0
195.88167	1.8
206.06061	2.6
209.06084	4.7
218.04572	3.1
233.04895	1.8
234.03523	1.8
234.05663	25.4
235.06239	5.2
236.07196	2.3
252.06654	46.1
253.07048	3.7
262.05081	11.7
278.04160	1.8
280.06140	52.3
281.06393	3.2
294.07703	7.0
312.08771	3.7
313.03540	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	312.088
Annotation	Melicopine
Peak:m/z	Relative Intensity
59.01368	1.0
68.74000	0.8
82.54547	0.7
84.62336	0.7
92.49524	0.7
93.03463	1.5
98.22685	2.3
106.04287	0.8
108.04569	1.1
109.02968	1.2
121.02943	4.2
122.46991	0.8
132.02222	1.0
132.04539	2.3
133.01930	1.4
133.02966	36.5
134.03758	49.9
135.04579	4.0
137.02457	21.7
138.02725	1.0
139.04007	7.5
147.03290	2.3
149.02408	0.8
150.03210	2.4
150.05595	1.3
159.03320	2.1
159.92786	0.8
160.04033	12.2
161.02455	40.2
162.02776	1.6
170.26869	0.7
178.02734	34.7
178.27924	0.6
179.03456	3.7
181.06602	1.2
193.06609	1.0
196.07700	1.4
206.06107	1.3
208.07634	4.0
209.06248	0.9
209.08487	3.0
210.05569	3.4
223.07753	8.6
224.07147	6.5
226.08765	5.4
229.54367	0.9
234.05614	11.2
235.06137	1.1
236.07289	5.0
241.08737	8.3
250.05122	1.9
252.06676	38.3
253.07336	10.0
268.09821	8.8
280.06149	9.1
283.02521	1.2
284.09305	13.1
285.09741	0.8
312.08807	100.0
313.09225	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	312.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	63.2
58.03746	1.6
59.01387	36.2
61.26890	1.5
63.55327	1.2
68.49636	1.6
69.91530	4.7
71.01382	8.2
75.00896	2.5
76.24827	1.3
77.91213	1.5
79.07829	1.6
85.02975	10.8
87.00890	1.9
89.02438	4.9
90.59135	1.3
99.04529	59.5
101.02455	24.0
107.03821	2.2
107.05040	4.6
108.02182	4.9
108.04575	2.8
109.02947	4.9
113.02489	1.5
120.04570	1.8
121.03000	5.4
121.05329	3.8
122.06139	49.1
123.03497	1.5
123.04515	1.6
125.02477	3.4
132.04567	3.1
135.03299	4.6
135.04521	3.1
136.04047	3.8
136.04953	2.1
138.05647	7.1
148.04036	5.4
148.07719	15.3
149.00935	4.4
149.04494	1.7
150.05626	100.0
151.04030	5.7
151.06023	2.7
161.03239	2.4
161.04579	51.9
166.05118	9.2
168.06679	72.5
169.07082	2.3
172.07643	2.9
180.03818	3.0
180.06644	3.3
181.76053	1.5
188.10789	6.4
189.05423	2.2
190.05919	5.9
191.00351	1.7
191.01921	1.7
192.06635	4.4
210.07732	55.1
211.08034	2.2
220.09827	1.8
250.10852	81.7
251.11165	5.8
267.68369	1.8
282.09860	2.2
294.09729	1.5
298.04825	1.7
312.10938	10.4
313.09595	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	312.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30411	4.5
55.18550	4.9
59.01393	8.1
61.98815	8.0
66.46202	4.8
67.58215	5.4
70.05545	14.3
70.42229	6.2
74.95808	5.5
98.22636	6.6
121.02987	14.1
157.08792	7.5
170.91071	5.2
172.10574	5.5
181.12389	13.2
199.07651	5.9
199.13435	14.9
239.55893	5.4
243.06735	6.5
283.02347	8.1
294.21753	5.7
295.22580	9.7
312.13132	7.4
312.22629	49.7
313.07147	9.2
313.14438	30.5
313.23856	100.0
313.27451	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	313.057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99553	1.0
59.01384	7.2
68.86143	1.0
69.41472	4.0
71.01385	25.7
71.45437	0.9
72.99301	1.4
73.02956	1.3
78.01112	1.4
79.98402	0.9
85.02952	2.4
87.00871	3.0
89.00340	4.6
89.02433	1.2
91.01899	1.4
96.96014	1.1
101.02465	2.3
103.00373	2.1
105.03465	1.3
106.00596	3.7
109.02923	1.9
111.00882	1.5
115.00385	9.8
119.05035	1.6
119.08662	4.2
121.02966	49.9
122.03273	1.3
123.00877	3.1
125.02473	1.5
128.76118	0.9
133.02962	6.1
134.03751	2.6
135.03632	1.1
135.04549	11.9
137.02428	2.0
137.09746	1.2
138.03232	4.8
146.02399	1.5
147.04469	1.3
149.00931	10.1
151.00420	1.1
151.03931	1.6
151.07674	3.3
153.05576	31.7
154.05930	1.3
163.04008	1.1
164.98343	1.0
166.99873	1.9
177.01904	2.7
178.02727	2.9
179.03500	6.0
181.01328	1.0
181.05051	1.1
181.08716	1.9
182.02292	6.7
189.09206	1.2
190.02734	1.3
197.04562	100.0
198.04875	3.9
233.04536	2.1
283.02454	2.9
298.04825	1.9
313.07013	1.8
313.12885	5.2
313.16199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84157	10.2
57.85408	9.9
59.01377	51.1
63.95186	12.0
65.85467	10.9
69.50349	17.8
69.50740	26.2
71.01376	44.5
71.05041	15.4
72.99313	11.0
76.21936	10.7
85.02956	49.1
98.22620	20.4
115.04028	59.6
134.70912	10.5
149.81606	12.9
153.04117	13.3
155.01976	31.5
159.01489	15.6
171.01526	25.2
171.05151	32.1
181.07307	13.7
183.08844	23.0
190.08357	12.0
197.03036	67.0
209.06703	14.4
253.05722	100.0
288.62811	11.1
325.34586	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	313.0721
Annotation	Sylpin
Peak:m/z	Relative Intensity
69.43260	1.4
72.05435	0.4
84.02155	0.9
98.21902	0.4
109.06561	0.4
110.06956	0.5
121.02963	100.0
122.03310	2.6
125.27912	0.3
127.16142	0.3
130.04276	0.6
135.50084	0.3
145.02965	0.3
146.11421	0.3
152.38766	0.3
173.02484	0.7
174.03223	6.9
180.05829	0.8
181.06598	4.7
182.06966	0.4
183.13789	0.6
184.14284	1.1
190.02733	0.7
197.06116	0.4
205.12082	0.3
206.02219	1.3
213.05801	0.3
213.85423	0.3
214.06248	0.3
225.05585	6.9
226.05820	0.4
227.07059	0.3
243.10301	0.3
254.85634	0.5
269.08206	0.7
270.08484	0.4
272.29068	0.3
312.22632	3.7
313.07220	14.1
313.10703	1.4
313.14496	12.9
313.22794	1.5
314.07474	1.0
314.14893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35820	0.5
59.01381	0.9
69.30443	2.8
72.20477	0.5
93.03466	1.1
95.90112	0.5
97.02958	0.5
98.22665	0.9
108.02183	0.8
109.02992	2.6
118.02997	4.9
120.51768	0.6
121.02966	16.2
123.04552	1.1
133.02989	1.0
146.02493	100.0
147.03291	24.8
148.01729	0.8
148.04007	1.7
149.02455	3.6
149.23483	0.5
151.03986	1.3
160.04053	1.6
164.03560	16.1
165.04131	0.6
166.05095	1.9
176.03726	0.6
181.06613	0.6
181.08838	0.5
182.28749	0.5
183.04482	0.8
186.02023	0.8
196.05341	0.7
197.04510	1.0
197.06160	1.9
199.04008	1.0
201.05606	0.7
203.04691	4.5
225.05528	3.6
227.03519	0.8
234.11526	0.5
241.05084	5.9
243.06656	3.8
269.04565	46.9
270.04779	3.3
283.02536	1.4
286.07156	1.2
298.04813	1.0
313.08331	4.3
314.10764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0931
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
50.08177	0.3
50.52707	0.3
53.47636	0.4
55.01886	0.8
57.03452	1.0
59.01384	4.6
69.34336	0.9
69.34747	1.5
71.01390	17.5
73.02959	6.6
75.00864	0.7
83.01406	1.3
85.02960	7.2
87.00893	0.7
88.75072	0.4
89.02464	2.1
95.01396	1.0
96.96007	0.5
97.02956	0.6
99.00898	2.4
101.02450	8.4
102.43898	0.4
107.05043	100.0
108.05379	2.7
113.02466	7.6
116.63810	0.4
121.02964	2.1
121.06641	0.5
123.04518	0.5
133.03009	0.8
133.06656	0.4
135.04581	0.6
143.03487	0.6
146.02502	0.8
147.04602	0.4
151.04018	8.3
151.07635	0.5
153.05569	0.8
156.14845	0.4
158.67273	0.4
159.03008	1.7
161.04585	8.5
165.05627	0.6
171.82150	0.4
179.03499	0.5
197.04637	2.5
211.69267	0.4
240.70319	0.5
255.02982	0.4
270.07785	0.9
283.02463	0.9
298.04874	1.0
313.06625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0931
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
59.01387	14.2
71.01389	12.9
71.01785	0.8
73.02956	1.8
74.98305	0.4
83.01389	0.7
85.02952	4.6
88.04034	1.9
89.02457	8.3
94.20882	0.5
95.01376	1.0
99.00899	0.5
101.02449	6.8
107.05044	33.2
108.02214	1.2
108.05366	0.6
109.02947	3.4
113.02454	3.3
114.05621	2.5
116.07154	1.1
119.03521	3.3
121.02985	1.3
123.00892	0.9
124.01644	0.7
134.35254	0.5
136.01685	0.5
146.02493	2.3
150.03242	0.9
151.04022	100.0
152.04359	3.0
153.05537	0.6
159.03030	0.7
161.04573	3.1
169.09805	0.8
171.15030	0.7
179.05779	0.6
197.04601	1.0
199.10901	0.7
228.48457	0.5
269.04410	0.6
283.02432	1.7
298.05023	0.9
313.06238	0.6
313.09375	7.8
314.09583	0.8
314.20697	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	313.1081
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
60.15177	0.2
62.81364	0.2
65.03958	0.3
70.96352	0.5
81.07111	0.4
83.05028	1.0
91.44748	0.2
98.31126	0.2
104.02681	0.3
105.03454	0.4
107.05020	0.3
115.61766	0.3
117.03497	0.9
118.04264	23.3
119.04554	1.2
123.08183	6.5
125.02468	0.4
132.02168	1.0
133.02946	0.7
134.03745	5.8
137.02461	0.8
145.02968	6.9
146.03624	0.3
157.06561	0.5
158.07387	1.0
161.02425	1.2
162.03239	19.0
163.03569	0.9
167.04947	0.4
171.04550	0.4
173.02451	1.7
173.06104	0.6
174.06862	0.7
177.01973	1.0
183.04465	0.5
184.05486	0.3
185.06073	4.3
186.06818	0.3
187.03973	0.6
189.01952	16.6
190.02730	52.9
191.03072	2.7
197.06087	0.3
201.01945	1.0
202.06355	0.7
203.03563	0.7
211.04111	0.5
211.07657	0.8
212.08372	0.5
213.05618	1.7
216.04440	0.2
222.01709	14.3
223.02112	0.4
229.05077	7.9
230.05838	8.4
231.06163	0.5
243.06664	0.8
253.05074	0.6
253.08803	0.3
255.06609	1.7
256.07370	0.7
269.08252	0.3
270.08551	0.8
283.02536	0.4
295.09741	0.4
298.04947	0.6
298.08188	0.3
313.10834	100.0
314.11172	7.2
317.73605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1085
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
57.03435	1.7
58.63270	0.5
62.91533	0.4
69.21760	0.5
69.48820	1.2
69.49203	1.3
71.62804	0.5
78.95933	0.6
81.03461	0.6
81.26686	0.6
83.05033	0.8
89.32416	0.5
107.05042	0.7
109.02991	0.5
111.70803	0.5
118.04263	22.6
119.04990	1.8
123.08174	6.9
125.02460	10.2
132.02156	0.9
134.03766	5.2
137.02420	0.7
145.02965	7.3
158.07378	1.1
161.02452	0.6
162.03236	20.0
162.04590	1.1
171.04555	0.9
173.02463	1.2
173.06084	0.6
174.06889	0.5
177.35287	0.5
183.13812	0.6
185.06039	3.9
187.04019	0.6
189.01947	17.2
190.02728	52.8
191.03078	2.6
193.01399	1.1
194.70203	0.5
201.02019	0.9
201.05667	0.7
202.06458	0.7
203.03616	0.8
211.07669	0.6
213.05554	1.8
222.01707	15.3
223.01953	0.9
229.02969	0.9
229.05083	9.8
230.05847	9.5
231.06259	0.7
255.03094	0.6
255.06683	1.2
256.07367	1.0
257.37891	0.7
269.04684	1.0
283.02512	2.1
298.04782	2.5
313.10828	100.0
314.11166	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	313.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75700	0.7
56.23624	0.7
59.01372	0.8
60.85860	0.8
61.98823	1.8
64.05058	0.7
69.34622	0.7
106.47713	0.9
124.66671	0.8
132.02226	1.4
145.02956	1.4
148.01596	1.0
161.02457	0.9
162.03279	0.9
170.88365	1.8
183.04396	0.9
185.06108	1.9
189.01961	3.6
190.02730	3.7
198.06898	1.0
199.07675	30.3
200.08208	2.4
203.03494	3.6
225.05629	4.2
226.06416	1.4
227.07118	5.7
229.05103	11.4
230.84039	1.1
243.06631	30.2
244.07385	10.6
254.85728	1.0
276.06299	1.1
283.02371	1.4
293.12756	0.9
301.74792	1.1
313.14484	100.0
313.23746	3.2
314.14758	8.2
323.63809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95091	0.3
65.23872	0.2
66.26195	0.3
69.82687	0.4
69.83015	0.7
82.62247	0.3
98.91547	0.3
104.02697	0.4
118.04278	1.5
132.02206	1.0
134.03772	0.4
145.02983	1.7
148.01733	0.5
155.08694	0.4
157.06612	0.4
161.02515	1.4
162.03265	0.9
181.06572	1.0
185.06068	2.1
187.07738	0.3
189.01956	3.7
190.02725	4.6
198.06868	1.9
199.07657	29.1
200.08070	1.6
201.01900	0.7
201.05630	0.4
203.03506	3.8
222.01677	0.5
225.05560	5.0
226.06331	1.1
227.07153	6.2
229.05069	10.9
230.05743	1.2
243.06619	29.6
244.07390	9.2
245.08058	0.4
276.06516	0.4
313.14462	100.0
314.14813	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	313.1447
Annotation	Ferulagol A
Peak:m/z	Relative Intensity
50.09084	0.5
71.45907	0.8
72.32945	0.5
145.02946	4.3
146.03760	1.2
153.09467	0.6
173.02444	1.4
174.03230	23.8
175.03587	1.5
179.34534	0.5
183.08170	0.7
186.92307	0.6
187.03990	0.6
199.45509	0.5
206.02234	3.5
213.05585	2.2
214.06322	0.7
227.07179	2.0
228.07892	2.8
232.77638	0.6
301.02005	0.6
313.14465	100.0
314.14832	8.9
337.30740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1787
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
57.03436	1.0
59.01377	0.7
61.69918	0.6
61.98829	0.8
70.67191	0.6
81.01112	0.5
82.27881	0.6
93.03460	2.0
94.63312	0.5
95.04996	0.6
115.49049	0.5
119.08688	1.0
121.06606	0.8
121.10241	10.2
123.08195	0.8
139.11292	1.6
141.09227	0.8
147.08179	1.7
161.09750	0.8
175.07381	1.9
179.10568	0.7
189.09006	0.7
191.06854	0.9
207.10045	8.1
209.07951	1.2
215.14316	0.7
217.15977	2.5
218.16266	0.6
227.18091	2.7
233.11597	0.8
243.17516	2.3
245.19115	25.7
246.19537	2.1
269.07242	0.6
283.02570	1.6
283.12946	0.7
291.13800	0.7
293.15363	1.2
295.16916	2.0
298.04892	1.3
298.15427	0.8
311.16379	2.2
313.17880	100.0
314.18274	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	313.1814
Annotation	Xanthoperol
Peak:m/z	Relative Intensity
51.27879	0.7
51.53106	0.6
61.98832	2.6
65.60807	0.6
66.91082	0.7
69.67157	2.8
94.90199	0.6
94.92532	0.9
119.94777	0.7
121.94451	1.0
132.02191	1.5
145.02940	2.0
147.04463	0.8
155.08675	0.7
156.66916	0.8
157.06573	0.8
159.04507	0.8
161.02521	0.8
162.03220	1.0
172.05318	0.7
173.06079	2.7
173.09610	1.1
175.03989	3.5
176.04771	3.0
181.06625	1.2
183.08130	3.1
185.00763	3.1
185.06096	7.8
187.02473	0.7
187.04047	2.4
189.01958	3.3
190.02678	3.2
198.06850	2.8
199.07674	33.2
200.08185	2.7
201.09254	1.1
203.03558	4.4
208.03860	0.7
209.06065	0.7
210.06902	1.5
211.07657	4.5
213.05606	5.9
213.09125	0.8
214.06271	2.1
215.07059	1.0
216.07941	0.8
225.05576	3.6
226.06389	1.0
227.07202	6.5
229.05309	13.4
229.08705	93.8
230.05594	1.8
230.09113	5.8
243.06636	33.6
244.07349	10.5
254.85794	1.0
283.02618	0.8
298.04706	1.0
298.12430	1.2
298.15771	22.1
299.16138	2.0
313.14447	100.0
313.18082	69.9
314.14774	9.2
314.18457	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	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
52.29396	0.4
59.01385	100.0
60.01711	1.0
66.12384	0.5
69.15762	2.6
71.60792	0.4
78.72089	0.6
135.86850	0.5
140.17345	0.4
175.00945	0.4
199.07678	0.7
221.28333	0.5
225.22353	0.8
243.06696	1.1
253.21756	5.4
265.46838	0.5
271.22812	44.4
272.23050	3.9
313.11136	0.7
313.14420	3.5
313.23892	12.7
314.24210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01730	1.0
61.98858	0.8
73.88175	0.8
74.02513	0.8
74.99096	1.8
90.36368	0.8
91.02219	5.1
93.00154	1.1
98.99253	0.7
121.02997	1.7
253.21768	5.0
271.22824	38.5
272.23306	2.8
283.02499	0.9
313.07278	2.3
313.23883	14.3
314.24200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62063	3.5
53.39606	3.6
54.81598	3.9
58.21339	3.1
59.01385	100.0
61.51434	3.1
64.44509	3.1
64.83700	3.2
71.42236	4.4
107.66008	3.6
111.02585	3.3
129.05528	3.9
138.49245	3.4
171.27223	3.5
179.70636	3.5
191.92810	3.3
219.66068	3.5
223.02814	9.4
253.21706	4.8
271.22803	48.5
283.02451	3.9
313.07208	3.8
313.23834	15.6
330.56723	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	313.2388
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
57.95938	1.4
59.01385	100.0
61.98850	1.9
160.86523	1.6
175.80684	1.4
253.21732	5.1
271.22797	43.9
272.23141	2.8
273.83298	1.7
291.53735	1.5
298.04803	1.8
304.33868	1.6
313.23834	18.8
314.27090	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	313.2388
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.00586	2.4
58.93084	0.6
59.01385	1.4
61.98823	2.3
70.11311	1.8
73.56515	0.7
74.50827	0.6
82.41921	0.7
98.21970	0.7
99.08166	21.6
101.09718	0.9
121.02941	1.1
127.07666	2.8
129.09238	22.3
150.95660	0.8
170.88297	1.2
183.13921	37.9
184.14207	1.7
195.13936	3.2
254.85663	1.4
261.49908	0.9
277.21774	2.9
283.02393	1.3
287.60086	0.8
295.22852	8.2
298.04962	1.1
313.23871	100.0
314.24176	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	313.2388
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
51.39256	0.5
57.03458	0.7
58.00593	2.0
59.01376	0.5
61.98819	1.6
71.34785	0.4
73.02948	0.9
75.54550	0.5
84.99866	0.5
121.02940	0.6
125.09742	5.5
127.11300	9.8
137.09636	0.6
139.11295	1.4
149.06113	0.7
155.10818	4.2
165.09227	2.7
170.88361	1.2
171.10281	7.9
183.10257	1.6
191.02693	0.5
199.07674	1.9
199.09799	2.6
201.11334	51.4
202.11746	1.7
225.05612	0.5
243.06691	1.2
254.85707	0.6
277.21808	6.0
295.22864	4.3
312.81058	0.5
313.14490	5.0
313.23865	100.0
314.24261	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	314.1038
Annotation	Bhimamycin C
Peak:m/z	Relative Intensity
50.40408	0.9
54.32931	0.8
62.57019	0.8
81.03473	1.7
90.17809	0.8
93.03443	1.8
106.04237	2.7
108.02182	1.1
108.10877	1.1
109.02953	2.7
111.00896	1.6
121.02954	6.8
132.02168	1.7
133.02966	61.8
134.03760	100.0
135.04593	7.6
137.02451	37.2
137.86542	0.8
139.04036	14.0
148.04092	0.9
149.02420	1.1
150.03218	2.9
160.04047	33.0
161.02454	99.5
162.02849	4.6
165.01962	1.3
178.02734	60.5
179.03477	14.0
187.07666	1.6
225.09227	2.1
243.10242	12.1
270.11401	22.9
271.11652	1.3
277.23999	1.0
302.42322	1.0
314.10352	52.7
315.10699	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	315.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01379	1.2
69.22818	3.0
70.44151	0.5
71.01329	0.5
72.00304	0.5
117.03435	1.4
121.02957	1.0
123.04578	0.6
130.07172	0.5
133.02956	2.4
138.45206	0.5
147.04524	0.8
148.05278	0.6
149.02446	1.9
152.35313	0.5
153.05545	0.6
153.12918	0.7
153.80444	0.5
161.02496	3.1
164.04845	0.6
176.04800	1.5
177.01924	5.7
179.10786	2.4
185.06094	0.8
190.02728	1.1
191.03523	7.2
197.11848	14.8
205.01431	61.9
206.01790	2.0
213.05603	1.5
219.03023	0.9
220.03784	55.6
221.04111	2.3
224.04767	0.6
232.98012	0.6
235.06125	100.0
236.06438	4.7
240.04266	0.6
241.05135	5.1
241.10768	2.1
246.14818	0.6
256.07437	1.7
271.02359	0.6
300.03116	0.7
300.06421	1.6
314.98355	0.8
315.01846	10.7
315.05527	0.9
315.08929	4.4
315.14859	4.1
315.18024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0511
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
57.65887	0.7
61.66732	0.6
65.57690	0.7
70.91772	0.8
108.02145	2.1
128.03499	1.1
136.01613	1.2
137.02400	0.9
148.01633	2.3
151.00331	0.8
153.05540	1.4
161.28021	0.8
163.00327	0.9
164.01105	1.4
199.03969	1.0
215.03471	1.2
226.02701	2.2
227.03458	2.5
240.10114	0.7
243.02930	10.7
244.03391	0.9
254.02177	2.0
255.02985	27.2
256.03342	2.3
271.02496	51.9
272.03162	3.9
299.02026	1.2
300.02765	100.0
301.03082	6.1
315.05115	44.4
315.18170	1.5
316.05469	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	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.57934	0.3
58.14162	0.3
59.01373	1.3
61.10132	0.3
61.98800	0.4
70.70484	0.3
71.01390	0.5
76.70779	0.3
81.03449	0.5
83.01371	0.5
85.85423	0.3
88.04063	0.4
91.01923	0.4
108.02184	3.5
109.02963	68.2
110.03307	1.5
117.05630	0.3
122.03804	0.5
123.04536	15.2
135.04491	0.4
151.00301	0.4
152.01164	2.7
153.01953	100.0
153.05571	21.0
154.02267	2.8
154.05931	0.4
160.93535	0.3
171.99304	0.7
174.99286	1.0
183.99290	0.3
206.69362	0.3
207.96132	0.3
214.00351	2.0
217.00371	0.4
217.11308	0.3
262.05981	0.3
315.07291	13.7
315.11224	0.8
315.16510	0.4
316.07169	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01376	1.2
69.93076	0.6
70.53558	1.1
71.01373	2.9
73.02953	0.8
79.39858	0.7
79.89443	0.7
80.47105	0.7
84.53606	0.7
85.02945	1.3
85.07731	0.7
85.77972	0.7
88.82278	0.6
93.03445	0.9
101.02415	0.8
105.01942	2.5
108.02180	100.0
109.02978	39.1
113.02441	0.9
121.02942	1.1
123.04526	2.1
135.04562	0.8
151.03996	1.4
152.01166	66.6
153.01955	33.1
153.05505	1.7
154.02301	1.0
163.04013	1.3
165.01964	2.2
179.62608	0.8
184.44843	0.7
315.07230	56.5
316.07529	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	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01384	4.5
59.01638	0.8
64.65868	0.9
68.47972	0.9
68.60042	1.0
69.91190	2.5
71.01391	1.8
73.02975	1.6
73.96297	0.9
81.03482	1.0
85.02956	1.3
85.20912	0.8
101.02415	1.1
108.02186	100.0
109.02988	35.3
109.22147	1.1
110.03327	1.0
115.03938	1.2
117.05611	12.2
121.02987	1.2
123.04519	3.3
138.89520	0.8
145.56442	0.9
151.04051	1.4
152.01167	69.5
153.01964	36.4
153.05525	2.1
154.02226	0.9
155.01971	4.4
163.04089	1.1
165.01982	2.9
183.32910	0.9
199.04677	2.9
255.05321	1.2
288.05054	1.0
308.23233	0.9
315.07257	86.6
316.07523	6.0
336.10034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	12.7
65.00334	0.3
68.99799	0.4
69.35161	0.2
69.50788	0.5
69.51187	0.5
73.77322	0.3
80.02660	0.3
81.03475	0.4
83.01389	3.6
84.28022	0.2
85.80365	0.2
87.86469	0.2
95.30381	0.3
98.22584	0.5
107.01380	0.5
107.64231	0.3
108.02171	1.3
115.75875	0.3
119.05038	2.5
121.02977	0.3
123.04544	0.7
125.02458	100.0
125.66211	0.3
126.02794	2.8
135.00905	0.5
136.01645	0.6
137.02420	0.3
143.36333	0.3
148.01672	0.7
149.02425	0.7
151.00375	0.8
161.02475	0.5
161.06111	0.3
163.00378	0.3
164.01155	0.5
167.03502	1.3
189.05611	2.0
190.06354	0.2
192.00679	0.3
194.71956	0.2
199.04010	0.4
204.16116	0.3
215.03455	0.4
226.02783	0.5
227.03493	1.1
227.14413	0.7
228.04099	0.4
243.02983	4.7
244.03539	0.3
251.68094	0.3
254.02264	0.8
255.02997	10.4
256.03381	0.6
271.02496	22.8
271.13342	1.9
272.02884	1.6
299.02005	0.5
300.02771	37.7
301.03159	3.1
315.05157	19.1
315.08618	1.2
315.12497	1.4
316.05627	1.3
316.08670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0876
Annotation	2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.01876	0.5
57.02357	0.3
57.03445	1.1
59.01389	1.3
64.18147	0.2
65.00320	0.7
67.01898	0.4
68.99824	2.1
69.03459	3.4
69.69297	0.6
69.69691	0.6
71.05022	0.8
77.04005	0.4
77.59099	0.3
79.01910	1.1
79.05537	0.6
80.02683	1.2
81.03463	21.3
82.03791	0.4
83.01392	6.0
84.02169	0.4
85.02995	0.3
87.00844	0.6
93.03468	7.8
95.01398	1.1
95.05035	26.9
96.05368	0.8
97.02957	8.5
98.03291	0.3
98.21992	0.3
99.04529	13.0
100.04939	0.3
105.03460	1.7
107.01405	1.0
107.05042	0.5
108.02168	1.1
109.02974	0.8
119.05040	12.3
121.02968	3.1
121.06608	0.7
122.03739	3.2
123.00929	1.4
123.04539	22.8
124.01691	0.7
124.04858	0.8
125.02459	26.9
126.02808	0.4
134.03740	0.5
135.04539	2.0
137.02441	1.0
137.06097	25.9
138.06436	1.0
139.04027	6.3
141.05554	1.9
145.06575	0.7
147.04533	3.8
149.02425	1.6
149.06070	0.8
150.03268	0.3
151.00415	0.4
151.03990	0.3
152.01158	0.6
153.05626	0.3
153.09219	1.1
163.04056	1.2
163.07677	0.8
164.04810	0.4
165.01929	1.4
165.05579	12.8
166.02693	0.3
166.05875	0.4
167.03508	62.3
168.03848	2.4
177.01999	0.5
177.05656	0.4
179.03534	1.2
180.04285	0.5
181.05078	3.4
183.10252	1.3
189.05586	7.8
190.02708	0.5
190.05875	0.4
191.03529	0.9
193.01440	0.8
193.05164	0.6
197.08250	0.7
205.01538	0.3
208.03889	0.3
209.04561	27.2
210.04825	1.2
219.71236	0.3
221.04581	2.5
225.11411	0.5
229.08708	1.1
231.06671	0.9
243.10359	0.4
247.09877	0.5
271.09888	1.2
315.08759	100.0
316.09100	8.0
316.12833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76388	0.3
54.73793	0.3
56.24865	0.3
59.01384	0.5
63.25828	0.3
70.08295	0.7
71.01370	0.4
76.79092	0.3
81.03462	0.3
95.05048	0.5
96.63869	0.4
99.00864	0.3
109.02966	1.7
115.04562	0.3
122.03749	0.8
123.04539	70.8
124.04871	2.3
153.05591	100.0
154.05942	3.1
173.21118	0.4
240.23592	0.3
315.07523	0.5
315.10767	1.8
334.11743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69600	0.7
59.01386	31.6
60.01658	0.9
65.87869	0.9
68.54344	0.8
69.38947	4.4
71.01384	1.9
72.99313	1.4
79.62302	0.8
83.99822	0.8
87.00878	12.6
99.04566	0.8
102.17446	0.8
103.00389	7.3
109.02953	1.1
112.98817	14.5
112.99532	1.4
121.10244	3.3
130.99887	2.4
149.00897	1.8
149.02411	1.2
153.09248	10.1
154.09467	1.0
165.09204	3.7
183.10278	100.0
184.10603	6.0
188.48628	0.9
205.01437	2.8
275.64838	0.8
315.11044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82747	0.3
57.10119	0.3
59.01387	1.6
59.15853	0.3
62.90041	0.3
71.01370	0.8
83.10378	0.4
85.02993	0.5
93.03519	0.5
95.05005	0.6
101.02435	0.4
109.02983	0.5
122.03796	0.8
123.04539	73.9
124.04873	2.4
135.04529	1.3
153.05589	100.0
154.05934	3.0
161.04593	0.4
161.28215	0.3
201.35489	0.4
315.07248	0.5
315.10822	2.8
325.41595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
71.01389	15.3
71.01790	0.9
73.02956	2.1
87.00876	0.7
97.06607	0.8
98.21886	1.8
115.00385	13.5
116.99986	0.6
121.02979	1.9
121.21322	0.7
124.61257	0.6
135.08186	1.0
137.09731	6.7
148.04134	0.7
153.09250	1.2
155.10793	100.0
156.11121	4.4
175.13419	0.6
183.10269	0.8
187.38361	0.7
199.09773	83.5
200.10120	2.6
255.02971	0.9
284.03470	0.9
300.10071	1.4
315.04874	0.9
315.12396	2.8
315.18118	2.6
318.75809	0.7
339.08829	0.7
339.92593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
59.86408	0.3
69.56735	0.6
69.57119	1.0
71.01393	1.0
79.95153	0.3
81.03477	0.4
85.02956	0.5
89.02463	1.0
93.03470	0.8
95.01424	0.4
95.05031	0.7
101.02429	0.6
109.02965	3.7
113.02466	0.5
117.09011	0.3
122.03767	1.0
123.04537	84.9
124.04877	2.2
135.04536	1.7
137.02443	0.5
153.02142	2.4
153.05589	100.0
154.05922	3.6
169.01544	0.4
177.16386	0.4
315.07095	1.3
315.10858	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	315.1242
Annotation	Combrestatin A4
Peak:m/z	Relative Intensity
51.60640	0.5
53.92223	0.5
59.01381	0.6
60.47795	0.5
70.33470	1.2
72.89203	0.5
74.93186	0.5
87.47301	0.5
104.02692	0.8
105.03443	1.1
108.18841	0.6
110.44629	0.6
118.04262	6.5
132.02176	5.5
134.03735	1.6
137.02542	0.7
145.02934	0.7
152.91743	0.6
162.03270	7.5
176.01161	0.6
185.06133	1.4
189.01936	1.1
190.02736	25.1
191.03204	1.1
199.07632	3.0
203.03571	1.0
222.01732	5.6
229.05072	7.9
230.05888	5.1
243.06609	3.4
245.08168	3.6
271.13492	1.5
315.12405	100.0
316.12726	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69535	0.3
53.87126	0.3
57.03441	1.0
59.01387	3.9
66.31118	0.3
69.03466	3.5
71.01366	1.4
71.03723	0.4
71.05030	2.6
83.05037	0.7
85.02924	0.4
89.02452	1.0
91.04028	1.6
97.06581	0.6
116.37267	0.4
121.49104	0.3
123.08170	1.0
125.09743	1.6
137.09697	0.6
149.09720	0.4
151.11331	2.1
153.12906	1.9
155.10706	0.5
161.09738	3.6
179.10800	13.1
183.10249	0.4
197.11852	100.0
198.12189	4.4
205.01479	0.6
220.03894	0.4
223.09755	2.1
235.06131	0.6
241.10837	16.0
242.11139	1.0
315.14536	37.2
315.17773	1.3
316.14899	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	315.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18655	0.6
52.35487	0.6
57.03439	1.0
59.01387	4.5
68.21971	0.7
69.03455	3.9
71.01368	1.7
71.05013	2.6
71.45203	0.6
83.04998	1.0
89.02451	0.8
91.04006	1.9
91.08514	0.7
97.06618	1.0
107.05059	1.1
123.08145	1.3
125.09746	1.4
149.09749	1.0
151.11327	1.5
153.12865	2.2
155.08618	0.7
161.09691	3.2
179.10793	15.8
197.11842	100.0
198.12180	3.8
199.07623	0.7
223.09775	2.4
241.10809	17.5
243.06590	3.6
271.06201	4.1
273.17136	0.9
315.14517	39.1
315.17673	1.6
316.14920	2.4
325.24387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1602
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
59.01368	0.6
61.98844	0.7
65.01056	0.6
70.35880	0.7
70.75471	1.2
92.88579	0.6
130.04289	1.0
145.02974	8.7
146.03714	2.6
156.58206	0.6
173.02420	4.1
174.03226	37.1
175.03583	1.9
184.44600	0.7
206.02168	8.5
213.05667	4.0
214.06300	0.7
222.84964	0.7
262.66028	0.9
300.02643	1.0
315.12756	4.5
315.16013	100.0
316.16367	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	315.1604
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
52.98944	2.6
55.98428	2.6
61.98823	4.6
69.27219	5.3
69.27623	11.0
71.61233	3.0
98.21851	6.6
121.02962	6.9
133.02966	25.9
134.03757	81.5
135.04541	16.6
137.02454	42.7
139.04018	16.4
178.02731	32.2
179.03510	27.6
184.25900	2.9
194.03842	2.6
315.16046	100.0
316.16360	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	315.218
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33133	1.4
76.08370	1.3
85.03005	2.0
85.06603	6.0
125.06351	1.5
125.09750	2.7
127.11308	3.0
152.07416	1.5
167.14484	2.1
171.10283	4.9
183.13876	9.3
193.12399	2.6
197.57018	1.6
203.10222	1.6
209.11804	1.9
211.13434	38.8
212.13724	2.1
229.14459	18.6
250.42857	1.4
269.17694	1.6
276.35175	1.5
309.62848	1.3
315.21774	100.0
316.22220	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	315.2542
Annotation	(9S,10S)-9,10-Dihydroxyoctadecanoate
Peak:m/z	Relative Intensity
55.56679	0.3
55.58100	0.3
58.00602	0.4
69.63902	1.3
80.67326	0.3
110.89182	0.3
125.09735	1.3
127.11298	2.9
141.12883	5.3
143.10742	1.5
155.10847	1.5
169.12358	0.6
171.10258	5.3
171.13957	1.3
201.11328	1.8
204.07925	0.4
231.05400	0.3
235.66063	0.4
239.23907	0.4
245.07323	0.4
273.14990	1.1
279.23328	2.6
287.16452	0.5
295.22870	0.8
297.24359	8.2
298.24686	0.6
311.22177	0.5
313.23849	9.0
314.24216	0.8
315.15878	4.0
315.25421	100.0
316.22208	0.5
316.25772	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	316.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.8
57.03440	5.3
59.01383	91.7
61.98825	1.7
69.03442	1.1
71.01388	100.0
72.01755	2.0
72.99298	2.3
73.02949	27.3
80.05195	1.0
80.11031	1.0
80.32904	1.0
83.01401	10.4
83.05024	10.7
85.02467	2.5
85.02956	38.5
87.00878	3.6
89.02452	40.9
93.03438	1.6
94.91167	1.1
95.01390	7.7
97.02949	2.0
99.00887	10.6
99.92592	3.2
100.93350	3.8
101.02455	68.3
102.02802	1.5
109.02948	12.8
110.03312	8.2
111.00909	1.9
111.04524	6.7
113.02458	44.1
115.92081	4.7
116.07172	1.4
116.92096	2.0
116.92872	29.2
117.92877	1.5
119.02773	1.6
119.03530	17.4
125.02445	2.2
128.03496	1.3
130.08688	1.5
131.03517	2.1
137.02429	5.4
140.07860	1.2
143.03539	5.8
149.04532	2.1
153.01938	6.1
153.05571	1.9
154.02292	4.7
154.08748	52.2
155.03519	2.5
155.09120	1.6
159.03004	8.0
161.04572	45.0
179.05620	2.9
181.77046	1.3
187.00790	1.4
204.62280	1.3
258.03061	1.2
307.89374	1.2
316.01233	1.6
316.07602	4.0
316.14050	11.5
317.08600	2.3
335.22586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89494	3.8
57.03453	9.8
59.01383	14.6
63.02391	8.0
65.00330	12.8
67.01887	3.9
70.80743	6.4
71.01383	5.8
71.05024	20.2
81.03456	6.2
83.01386	24.8
93.03462	21.0
95.01401	12.4
99.04492	6.0
107.01411	16.2
108.02190	5.8
109.02953	44.9
112.98817	4.3
114.09234	8.8
115.05486	4.9
116.07195	47.8
121.02956	68.1
123.00880	12.1
124.01667	10.9
125.02453	86.1
126.09255	15.6
133.02927	5.1
135.00893	15.5
135.04486	3.7
137.02455	81.1
139.03661	4.1
143.05019	17.9
145.03014	4.0
145.06584	4.6
146.03767	5.7
146.08240	26.6
147.04535	43.3
149.02458	38.3
151.00381	65.2
152.01196	18.8
153.01944	14.5
155.04951	5.7
157.06625	6.3
159.04536	19.6
160.01624	4.8
161.02451	11.3
161.06042	8.2
163.00372	80.2
164.01155	12.8
165.01927	20.2
167.03572	8.1
167.05049	15.4
170.03734	6.4
170.08234	40.6
171.04558	38.2
173.02397	3.8
174.03200	20.5
175.03995	43.2
176.01208	12.3
177.01901	7.8
178.99854	48.2
182.03743	5.0
183.04559	13.2
184.10649	5.5
185.06059	25.7
187.04027	10.6
187.10899	9.7
189.05585	16.4
195.04543	26.7
197.02467	8.5
197.06104	16.3
198.03259	8.9
199.03995	51.5
201.01958	4.0
201.05643	7.4
211.04024	36.0
212.04785	8.1
213.05548	32.8
214.02907	4.7
215.03476	28.4
217.05089	65.1
218.05412	5.8
223.04044	7.6
227.03505	15.3
228.04393	5.8
229.05046	16.2
231.02962	5.7
231.06483	4.2
239.03539	31.3
241.05037	51.2
242.02202	8.7
243.02979	30.8
255.03249	5.0
256.03748	14.6
257.04547	68.8
258.04941	5.0
267.03040	53.0
268.03464	5.2
271.02545	6.8
285.04065	75.0
286.04382	5.8
317.02960	55.4
317.06680	10.1
317.17142	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	317.067
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
57.03451	18.0
59.01388	2.2
63.02402	2.4
63.13629	0.9
65.00333	7.4
69.03481	1.1
71.41113	1.0
81.03461	2.6
83.01400	9.5
95.01401	5.9
96.02173	1.6
96.96074	2.1
107.01395	4.3
108.02228	2.0
109.02951	2.1
111.00907	1.8
121.02935	1.3
122.03763	2.6
123.00890	4.1
124.01676	18.1
125.02468	100.0
126.02807	2.6
135.04631	1.0
135.44336	1.0
137.02515	2.0
139.00421	1.4
146.03690	1.4
148.01709	1.6
149.02473	3.5
150.03233	1.6
151.00389	16.3
151.21498	0.9
152.01180	35.9
153.01952	2.8
159.04553	1.2
176.01215	1.3
178.99899	9.2
180.00624	1.9
185.11836	2.8
186.06750	0.9
187.04042	1.7
188.04825	1.9
190.02791	1.2
192.04286	7.9
199.13435	3.1
207.06648	7.9
213.05588	1.2
214.06409	2.9
215.03539	1.8
216.04326	1.9
225.11285	2.0
229.04991	1.7
229.08672	1.6
230.05820	3.1
231.06660	8.7
232.06953	0.9
233.04622	1.5
243.12500	1.4
245.08240	1.9
249.07733	1.1
253.17946	1.0
256.03854	1.0
257.04489	1.5
258.05289	6.2
273.07758	12.4
274.04919	4.6
274.07797	1.0
284.03366	1.5
287.09259	1.1
289.07214	70.7
290.07587	4.2
299.05658	2.6
317.06693	59.2
317.09924	2.6
317.13876	2.4
317.19571	9.6
318.06924	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	317.0877
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
55.01874	2.8
55.44734	0.7
57.03445	2.1
59.01383	49.5
65.03955	1.1
67.01900	5.7
69.27153	4.1
71.01389	33.8
72.99306	1.5
73.02952	6.2
81.03455	2.1
82.10367	0.8
83.01405	3.0
83.05032	100.0
84.05369	1.0
85.02954	12.6
86.00093	0.6
87.00883	7.1
89.02451	22.9
93.03462	7.1
95.01408	5.1
95.05037	1.0
96.02224	0.8
97.02922	1.4
97.06561	0.9
98.21788	1.2
99.00894	2.6
100.99104	0.6
101.02450	20.5
109.02963	13.1
111.00899	14.3
111.04529	61.7
112.04844	0.8
113.02457	16.3
119.03522	9.8
123.04466	0.7
123.88773	0.6
125.02457	1.9
129.01965	0.8
137.02457	42.2
137.06027	0.9
138.02811	1.7
143.03554	1.3
154.02747	2.7
155.03519	19.2
159.03104	0.8
161.04570	3.1
179.05655	1.5
183.06636	0.9
273.06345	0.7
303.06085	0.7
311.12128	0.6
317.08795	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	317.088
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
55.01871	1.6
57.03443	2.6
59.01385	49.9
65.00340	1.5
67.01896	6.2
68.99814	1.1
69.65564	1.1
71.01389	44.8
71.41695	0.9
72.99313	1.8
73.02558	1.4
73.02948	9.4
78.18914	0.9
79.01888	2.8
81.03453	1.4
83.01402	5.1
83.05034	100.0
84.05372	2.2
85.02955	17.0
87.00891	8.4
89.02454	22.9
93.03458	7.8
95.01401	6.7
97.02988	1.2
99.00890	4.6
99.04492	1.2
99.92591	1.2
100.93371	1.0
101.02453	28.9
109.02959	13.8
110.00130	1.4
111.00893	13.4
111.04534	68.5
112.04864	1.9
113.02461	18.8
113.06102	1.2
113.69547	1.1
114.02881	1.2
115.03959	1.0
115.92076	1.6
116.92865	7.1
118.49747	0.9
119.03506	11.3
123.04506	2.8
124.04861	1.2
125.02422	2.6
129.01944	1.4
131.03586	1.0
135.04578	1.1
136.98805	2.3
137.02454	45.2
138.02711	1.2
138.05611	3.6
139.00407	7.4
140.01164	17.7
143.03436	1.6
153.01924	1.2
153.05594	2.6
154.02676	2.9
154.06033	1.2
154.08719	2.0
155.03520	36.0
155.07143	1.1
156.03862	1.6
159.03004	2.1
161.04585	4.9
164.98259	2.7
166.99879	13.1
179.05528	1.3
183.04430	1.3
191.43660	1.2
211.04082	1.0
215.00694	1.7
227.03485	7.8
231.03004	1.6
245.04590	2.8
248.62968	1.0
273.03741	1.2
299.01837	1.2
317.02881	1.9
317.08826	24.0
318.02960	4.0
318.09009	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	317.0881
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
55.01875	2.9
57.03437	1.4
58.00595	0.8
59.01386	54.2
61.64534	0.7
67.01897	6.3
67.96700	0.8
69.03459	1.1
69.10872	5.4
71.01389	39.1
72.99319	1.7
73.02944	5.6
75.00880	1.8
81.03468	1.7
83.01396	4.1
83.05036	100.0
84.05347	2.0
85.02956	13.4
87.00887	8.3
89.02454	23.5
92.05102	0.8
93.03455	8.8
95.01396	4.9
97.02957	1.4
97.28214	0.7
98.21931	1.3
99.00900	2.9
101.02453	24.5
103.00311	0.7
109.02966	14.4
110.00093	1.0
111.00906	14.8
111.04534	69.4
112.04874	1.9
113.02471	17.1
119.03531	10.3
119.05043	0.8
122.55053	0.7
125.02495	1.8
129.01997	1.3
135.04646	0.9
137.02460	42.3
137.06021	0.8
138.02753	1.8
139.07686	1.0
140.01128	0.8
141.09248	6.3
148.04094	0.9
149.00946	1.1
149.04707	0.8
154.01474	2.5
154.02737	3.1
155.03532	19.8
155.07146	1.1
157.47176	0.8
159.02985	1.5
161.04596	2.8
179.05707	1.2
183.06586	1.1
185.08252	6.5
197.08850	0.9
200.44563	0.9
257.71719	0.9
273.06195	0.9
275.11673	0.9
317.08817	18.5
317.12299	1.5
318.09183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84058	0.8
55.01879	2.2
57.03440	1.6
58.00565	1.1
59.01385	46.4
67.01890	7.7
69.03434	1.1
70.89175	0.7
71.01387	37.0
71.04991	0.7
72.99318	1.8
73.02945	6.9
79.41074	0.8
81.03490	1.0
83.01385	3.7
83.05033	100.0
84.05354	3.3
85.02962	12.9
87.00866	6.4
89.02452	24.8
93.03461	8.3
95.01370	4.4
97.02963	1.5
97.06518	0.8
99.00877	2.7
101.02447	25.4
108.34084	0.9
109.02961	16.3
110.00132	1.0
111.00896	12.7
111.04531	70.2
113.02466	16.0
113.06081	1.1
119.03511	11.3
125.02397	1.5
127.00341	1.2
129.01894	1.1
129.05559	1.2
131.03558	1.0
137.02460	43.4
137.06078	1.0
138.02701	1.5
140.01172	20.0
141.16913	0.9
143.03522	1.2
153.01927	0.9
154.02718	3.6
155.03516	41.8
155.07135	1.3
156.03914	1.3
159.02966	1.7
161.04530	3.8
164.11356	0.9
171.06866	0.8
179.05547	1.1
218.43604	0.9
282.75388	1.0
294.89777	0.8
299.07675	1.3
317.08792	23.5
318.08954	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	317.1033
Annotation	Evofolin B
Peak:m/z	Relative Intensity
59.01348	0.9
67.01855	1.5
69.21210	3.8
70.49111	0.6
71.04981	0.6
72.99293	0.7
74.26977	0.6
74.32372	0.6
77.32643	0.6
81.03410	1.2
81.43123	0.5
83.01364	1.2
89.98974	0.7
93.03394	0.8
95.01357	2.4
107.01373	2.4
108.02183	68.2
109.03023	6.3
111.00161	0.7
111.00871	6.5
121.02959	4.4
122.03738	2.2
123.00900	32.5
123.04536	23.0
124.01683	18.8
124.04779	0.6
125.02405	0.8
135.00873	0.9
136.00716	0.9
136.01665	12.8
139.00339	1.4
146.11397	0.6
147.00897	9.3
148.01653	4.9
149.02434	1.5
150.03188	1.8
153.05602	3.2
156.08012	0.6
162.03238	6.2
163.04025	8.5
185.11833	1.0
201.05623	0.7
229.05122	1.7
255.95099	0.7
257.04568	5.2
272.06906	19.0
273.07349	1.3
273.12427	1.1
274.10818	0.8
287.09268	100.0
288.09610	6.8
299.10278	1.0
317.10336	26.2
317.19708	8.4
318.10748	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	317.1031
Annotation	Albiflorin 1
Peak:m/z	Relative Intensity
51.35168	1.1
53.95340	1.3
56.70594	1.2
59.01385	2.0
60.55709	1.4
62.44919	1.3
71.41670	1.5
80.21380	1.0
117.03497	1.3
118.04253	8.9
133.02916	1.6
134.03751	2.7
145.02948	6.9
154.14378	1.3
159.04547	2.7
161.02443	12.4
162.03246	14.0
171.08159	1.9
173.02507	1.7
175.04091	1.8
185.06129	2.7
186.10503	1.8
189.01945	27.6
190.02737	54.1
191.02994	1.9
199.07661	3.6
202.10020	1.6
203.03517	17.6
203.05251	1.7
204.04230	2.8
213.09245	3.3
215.07150	2.5
216.04324	3.8
222.01694	14.4
229.05057	4.5
230.05829	16.7
243.06622	70.4
244.06990	4.6
257.08157	3.6
258.08990	79.8
259.09326	6.2
273.11340	64.2
274.11703	4.8
299.09158	4.2
302.07941	5.8
317.10309	100.0
317.13605	4.7
318.07431	1.3
318.10580	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	317.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34289	0.5
52.75938	0.5
59.01385	22.6
71.01406	0.5
72.99306	1.4
73.02954	1.7
83.05045	0.7
84.13137	0.5
84.99290	1.0
85.02983	0.6
87.00884	16.3
95.68980	0.6
96.61707	0.5
103.00388	9.9
107.55492	0.5
112.98827	16.6
115.07635	0.5
116.92890	0.6
130.99879	2.1
137.09789	0.6
139.11319	1.1
141.12865	2.0
149.00906	1.8
155.10818	3.7
167.10762	1.9
174.05545	0.6
185.11850	100.0
186.12218	3.3
273.12439	0.7
317.12463	6.6
317.16153	0.9
317.19714	5.8
318.12778	0.5
323.79874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99287	1.0
59.01384	20.0
64.89644	0.7
66.40106	0.9
69.57301	0.9
69.57632	2.9
70.06582	0.8
70.65894	0.8
71.01377	2.2
72.99365	0.8
87.00889	11.5
103.00385	10.1
112.98822	15.1
125.09761	2.3
130.99854	1.9
139.11313	2.2
141.09190	2.0
149.00970	1.8
167.10809	1.3
185.11856	100.0
186.12209	4.4
317.12384	3.5
317.19751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
58.47368	0.5
59.01385	18.6
70.73666	1.0
71.05049	0.5
72.99310	1.3
79.76476	0.7
84.99351	0.7
85.02954	0.7
87.00889	11.7
97.06614	0.8
99.00191	0.6
101.06140	0.6
103.00383	7.0
112.98819	14.4
115.07622	0.6
116.92863	0.8
125.09865	0.7
130.99884	2.0
137.09731	1.0
139.11290	1.3
140.28168	0.5
141.09261	1.3
149.00906	1.9
149.09731	0.9
149.52440	0.5
155.10767	1.0
157.26382	0.5
161.02382	0.6
166.75452	0.6
167.10777	1.8
173.11850	1.0
185.11844	100.0
186.12202	4.4
191.05626	0.7
201.76480	0.6
296.37970	0.6
317.12460	4.4
317.16144	1.1
317.19751	14.1
318.19992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	62.5
61.21831	0.6
71.41991	0.8
72.99321	1.1
80.99755	0.6
83.05029	1.4
87.00881	6.5
103.00381	0.7
112.98845	1.5
131.07063	0.5
149.00926	2.9
155.03520	0.6
155.10840	0.6
177.01875	0.8
185.11859	100.0
186.12195	4.4
210.56982	0.6
225.11249	0.7
243.12459	0.6
247.93494	0.7
317.12512	0.8
317.19659	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	317.1395
Annotation	Zearalenone
Peak:m/z	Relative Intensity
73.31508	0.2
74.81911	0.2
81.03465	0.3
95.05038	0.2
98.21899	0.7
104.02708	0.4
105.03481	0.9
117.68917	0.3
118.04252	5.9
130.04231	0.4
132.02179	5.4
134.03749	1.6
136.01602	0.3
137.02446	0.3
145.02954	0.5
149.44135	0.3
151.00385	0.3
158.03700	0.4
158.07339	0.4
161.02423	0.3
162.03239	6.2
163.03558	0.3
167.01065	0.2
174.06927	0.3
185.06046	1.9
186.06929	0.3
189.02019	0.5
190.02724	18.5
191.03067	1.0
199.07655	2.8
201.01918	0.4
201.05652	0.3
202.02780	0.3
202.06380	0.3
203.03496	1.0
213.05620	0.3
222.01697	3.9
225.05528	0.3
227.07181	0.5
229.05061	6.7
230.05809	5.7
231.06488	0.4
243.06619	2.7
244.07272	0.6
245.07957	0.3
273.11438	0.3
273.14969	1.6
289.14462	0.4
317.13928	100.0
318.14258	7.0
333.17560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.8
59.01386	16.2
69.03478	3.8
69.50837	6.4
69.51170	1.6
71.01397	5.6
71.05034	8.7
72.99316	3.3
73.01907	1.5
73.02953	4.2
80.05044	1.8
83.05040	4.5
85.02956	1.4
87.00901	3.3
87.04535	3.5
91.04007	2.2
95.05062	1.9
97.02978	5.5
97.06596	7.6
99.00890	27.4
99.08114	1.5
99.22972	1.4
108.04586	12.3
109.06630	3.9
110.03783	2.9
111.04587	1.8
122.03886	1.6
122.06133	5.3
123.08170	4.4
125.09721	11.6
133.02989	6.9
134.06227	3.7
135.08142	2.3
137.09727	3.6
142.02689	1.5
150.05470	1.7
152.07216	10.3
153.09221	1.7
155.10809	13.7
161.02478	1.7
163.11293	18.5
175.52184	1.5
177.01935	1.5
181.12364	49.0
182.12595	1.9
185.11876	8.4
191.03580	2.0
199.09839	9.1
199.13400	38.1
200.13760	2.1
207.10283	52.4
208.10696	2.2
220.03810	4.0
225.06805	3.7
225.11348	94.4
226.07518	2.4
226.11574	4.5
229.09799	1.8
240.09059	4.7
243.12379	100.0
244.12785	3.9
253.18138	2.2
255.11430	23.0
255.19626	4.1
256.11792	2.5
257.17636	9.4
273.12476	70.3
274.12814	5.4
299.18619	3.4
317.11655	7.9
317.16040	78.5
317.19739	86.3
318.16336	7.2
318.20053	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	317.197
Annotation	oscr#16
Peak:m/z	Relative Intensity
50.77894	0.4
57.03447	1.6
59.01165	0.3
59.01383	3.5
59.66605	0.4
60.79819	0.5
61.64811	0.4
67.05541	0.4
69.03460	4.5
69.12579	2.5
69.12981	0.7
70.29199	0.5
71.01389	1.2
71.05029	5.9
72.99320	7.9
73.02937	1.3
74.02486	0.7
75.00887	0.5
81.03426	0.5
83.05025	9.0
85.02954	0.9
85.06613	0.8
87.00875	2.0
87.04498	0.4
93.03450	0.4
95.05045	0.5
97.06561	0.8
99.08176	1.9
101.06107	1.0
103.00340	0.6
105.07088	0.4
107.08668	1.1
109.06597	1.2
111.04528	6.2
111.08125	1.1
112.98853	1.1
113.06082	0.6
117.01934	0.6
123.08178	2.9
129.05597	1.3
129.09218	5.6
133.02937	0.5
137.09766	1.0
139.11322	0.6
155.09549	0.9
155.10799	14.9
156.11078	0.5
159.07840	0.5
160.04091	2.4
161.02461	0.8
169.12283	0.6
169.84973	0.4
177.12862	1.1
185.11845	5.9
187.13445	2.9
199.09758	9.8
199.11551	0.7
200.10188	0.5
239.27736	0.4
257.14005	0.5
266.31229	0.4
273.12506	1.5
281.17502	1.2
288.14728	0.6
299.18585	2.1
317.12015	3.8
317.19693	100.0
318.20068	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	317.2123
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
59.79031	1.2
61.98825	1.4
62.06498	1.4
68.24009	1.4
69.03468	2.2
80.71591	1.5
81.56240	1.2
92.92841	1.6
131.33243	1.3
191.03580	1.5
230.05829	4.2
254.85619	4.5
299.12845	13.1
317.14059	16.8
317.21231	100.0
318.21439	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	317.2124
Annotation	CAY10410
Peak:m/z	Relative Intensity
54.20115	0.7
58.87553	0.7
61.98824	1.9
68.47977	0.7
69.40581	0.7
69.50293	0.7
73.35093	0.6
92.92803	1.2
94.92480	0.6
97.06628	1.0
97.91502	0.7
105.98574	0.6
109.78690	0.7
116.92854	1.3
150.03229	1.7
151.04140	1.1
163.04025	1.7
175.03693	0.8
177.01912	3.7
189.05522	0.9
189.09151	0.7
190.06282	0.8
191.03448	0.8
191.80449	0.7
205.08707	3.6
215.07285	0.8
217.15930	1.5
219.17546	26.2
220.17847	2.0
231.06842	0.9
233.08156	7.3
254.85599	1.3
262.81970	0.8
263.16513	3.9
273.14975	1.9
273.22241	5.3
274.15689	1.5
302.11945	1.3
302.15207	7.1
317.13727	4.3
317.17825	5.9
317.21207	100.0
318.21533	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	318.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63406	6.3
59.01386	100.0
60.01714	6.3
67.01860	6.5
68.47220	5.7
71.01386	62.4
72.01725	10.4
73.02975	6.2
79.66294	6.0
83.05033	65.0
84.05382	35.4
84.97329	5.9
85.02966	9.7
86.03325	6.2
87.00903	10.1
89.02454	67.9
90.02836	6.7
101.02480	33.2
102.02785	6.2
109.02976	11.6
110.03297	7.2
111.00869	10.5
111.04523	33.6
112.04900	24.0
113.02496	24.1
119.03503	33.6
137.02467	15.6
138.02829	19.2
155.03502	9.8
156.03824	8.4
161.04527	9.4
179.05569	11.8
314.61542	6.9
318.09106	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	318.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07502	7.3
55.51385	8.2
56.40316	8.6
59.01385	100.0
64.79408	8.5
69.80141	17.2
71.01384	94.3
74.02486	23.2
83.05037	33.5
84.04598	9.9
84.05329	16.3
87.00884	13.5
89.02448	66.0
98.22565	17.1
99.05698	9.0
100.04066	31.9
101.02461	28.0
101.17488	7.8
111.04514	18.4
112.04837	8.3
113.02467	26.7
114.02779	10.1
114.05726	7.2
115.00388	11.6
115.05138	8.7
119.03502	29.5
124.07688	9.7
133.01410	15.3
137.02399	11.4
138.02773	9.2
138.05646	16.5
154.08723	15.0
157.09862	9.8
165.82994	7.9
179.05612	19.2
180.07951	9.0
185.08244	7.4
201.08823	9.9
202.12131	10.2
210.08823	8.9
238.11876	13.9
243.09772	17.2
282.10895	10.6
300.11926	60.6
318.09067	9.5
318.13171	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	318.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.7
63.64574	2.7
68.05049	4.6
70.72816	6.1
71.01387	65.5
72.00916	13.5
72.99313	22.0
74.02478	31.5
78.95926	10.0
79.11494	2.6
80.05085	3.8
82.02992	4.1
84.04142	3.0
84.04543	15.6
85.21497	3.1
87.00883	24.6
88.07368	2.7
90.32735	3.1
90.97157	4.3
96.96980	6.5
97.04079	7.7
97.07714	2.8
98.02486	9.7
99.05661	10.8
100.04054	47.5
101.02409	4.1
103.00394	3.2
105.01938	9.2
106.38319	2.9
109.07701	8.3
112.04069	3.5
112.98828	5.9
114.05630	6.1
115.00397	31.0
115.05141	6.9
117.06720	4.2
118.05096	6.0
127.05122	3.7
128.03548	3.3
129.06685	7.0
133.01451	76.7
133.06203	5.1
139.00418	5.3
140.07176	5.3
141.06749	3.4
142.08856	3.4
142.96663	12.6
146.04594	6.9
149.00925	67.3
149.02075	5.9
154.09898	7.5
157.09857	6.6
159.07736	3.1
168.01500	7.7
171.07794	9.0
180.07797	15.9
184.97668	5.8
186.02621	11.5
186.07753	3.9
191.05676	6.5
198.08882	7.7
199.10915	10.1
201.08868	17.7
202.12033	12.5
202.98785	4.3
210.08813	11.7
211.83183	3.2
216.09944	3.6
216.96646	4.8
220.94965	5.7
228.09839	21.0
234.11038	4.0
238.11906	19.3
240.96690	5.3
242.01544	16.8
242.99254	3.4
243.09888	29.8
244.03110	5.0
246.10942	3.2
256.13071	12.7
258.97684	10.8
272.12555	5.3
282.10944	28.8
282.97800	2.9
300.12045	100.0
301.12518	4.4
318.03104	5.2
318.13058	15.4
319.00488	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	319.0461
Annotation	Dihydromyricetin
Peak:m/z	Relative Intensity
57.03179	1.0
57.03451	18.3
59.01372	2.0
60.47220	0.8
63.02404	1.4
65.00307	2.1
68.99812	0.9
69.05953	6.3
70.45180	0.9
79.03029	0.9
83.01389	3.8
93.03462	2.4
95.01333	1.1
96.76435	0.9
96.95996	3.5
97.02949	1.8
98.22603	2.1
101.02460	0.9
107.01377	2.2
109.02956	7.1
119.05035	1.0
119.88311	0.9
120.02201	1.4
121.02952	5.4
123.00906	1.8
124.01659	1.3
125.02455	100.0
125.09724	4.0
126.02795	2.1
133.02994	1.6
137.02448	14.2
139.04033	4.9
145.02789	1.4
147.00885	3.7
149.02417	1.4
151.00352	9.3
152.01141	1.5
153.01962	5.7
155.03526	1.7
161.02435	12.1
162.03207	1.3
164.01158	11.6
165.01935	37.8
166.02560	1.2
167.03528	6.5
173.05980	1.2
175.00369	20.6
176.01118	1.4
176.69032	0.9
177.01950	2.5
178.99893	9.1
181.01363	1.5
187.04015	1.6
187.09778	8.7
191.03513	10.7
193.01427	78.5
194.01776	3.1
197.04552	12.8
203.03487	1.4
215.03506	6.6
229.05182	1.0
233.04492	1.0
239.03410	1.3
243.06757	1.0
257.04523	5.1
287.05557	3.8
301.03473	6.9
319.08304	2.6
338.56927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03179	1.0
57.03451	18.3
59.01372	2.0
60.47220	0.8
63.02404	1.4
65.00307	2.1
68.99812	0.9
69.05953	6.3
70.45180	0.9
79.03029	0.9
83.01389	3.8
93.03462	2.4
95.01333	1.1
96.76435	0.9
96.95996	3.5
97.02949	1.8
98.22603	2.1
101.02460	0.9
107.01377	2.2
109.02956	7.1
119.05035	1.0
119.88311	0.9
120.02201	1.4
121.02952	5.4
123.00906	1.8
124.01659	1.3
125.02455	100.0
125.09724	4.0
126.02795	2.1
133.02994	1.6
137.02448	14.2
139.04033	4.9
145.02789	1.4
147.00885	3.7
149.02417	1.4
151.00352	9.3
152.01141	1.5
153.01962	5.7
155.03526	1.7
161.02435	12.1
162.03207	1.3
164.01158	11.6
165.01935	37.8
166.02560	1.2
167.03528	6.5
173.05980	1.2
175.00369	20.6
176.01118	1.4
176.69032	0.9
177.01950	2.5
178.99893	9.1
181.01363	1.5
187.04015	1.6
187.09778	8.7
191.03513	10.7
193.01427	78.5
194.01776	3.1
197.04552	12.8
203.03487	1.4
215.03506	6.6
229.05182	1.0
233.04492	1.0
239.03410	1.3
243.06757	1.0
257.04523	5.1
287.05557	3.8
301.03473	6.9
319.08304	2.6
338.56927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20346	0.6
53.00604	0.7
57.03449	15.9
59.01373	1.6
63.01840	0.7
69.51124	3.0
69.51461	0.8
77.03983	0.7
79.01886	1.3
83.01388	3.3
93.03477	3.2
94.36751	0.7
95.01397	2.0
96.96018	1.2
97.02953	3.6
98.21918	0.9
107.01437	0.7
108.02185	1.9
109.02950	7.3
113.02508	0.8
120.02177	2.3
121.02958	5.7
123.00935	1.0
125.02455	100.0
126.02794	2.7
133.02979	2.7
137.02451	12.4
138.02980	0.6
139.04039	1.2
147.04530	0.8
149.02461	1.0
150.05583	0.7
151.00409	2.0
152.01154	0.7
155.03493	1.0
159.04529	1.2
161.02457	20.6
162.03197	2.1
163.00455	1.0
164.01161	20.2
165.01936	48.4
166.02351	2.1
174.03360	0.7
175.00391	3.3
175.04042	1.0
176.04527	0.7
177.01918	2.8
178.99799	1.2
187.09804	2.1
191.03542	1.8
193.01407	13.3
196.03795	0.9
197.04573	22.2
198.04808	0.8
201.05582	1.1
203.03543	0.8
208.96970	0.7
217.05049	0.9
219.06624	1.0
243.06598	1.4
257.04507	1.0
269.04535	0.8
275.09296	0.7
287.05646	6.0
301.03381	1.7
319.08380	4.3
319.13809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	0.9
57.03453	15.9
59.01398	0.7
65.03964	0.7
66.04221	0.5
69.21553	0.7
77.03987	0.6
79.01889	0.8
80.88074	0.5
81.03470	0.6
83.01395	2.5
84.13848	0.5
93.03453	3.3
95.01416	1.4
96.96008	0.9
97.02956	2.7
108.02190	0.9
109.02952	5.5
112.67838	0.5
120.02170	2.4
121.02958	6.4
123.00883	1.2
125.02459	100.0
125.09728	1.1
126.02811	3.3
133.02939	3.3
137.02457	12.2
139.04022	1.8
147.00890	0.8
149.02423	1.8
151.00381	1.7
152.59425	0.6
155.03465	1.0
159.04506	0.6
161.02457	22.7
162.03159	2.6
163.00421	1.2
164.01180	20.1
165.01939	48.4
166.02306	1.7
167.03537	1.4
173.06033	0.6
174.98964	0.5
175.00351	3.9
175.04099	0.7
177.01967	2.7
178.99905	1.6
186.88377	0.5
187.09836	1.5
191.03535	1.5
193.01434	12.4
197.04567	19.6
197.06346	1.1
198.04877	1.2
200.04745	0.8
201.05598	0.9
203.03465	1.3
214.29761	0.6
215.03551	1.1
215.07156	1.1
225.05481	0.7
243.06757	1.4
245.04398	0.7
257.04675	0.8
269.04517	1.0
275.09216	0.7
287.05637	5.9
301.03619	1.5
319.08347	3.9
332.67789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03765	0.5
57.03452	14.4
59.01380	1.8
67.01894	0.6
69.82490	0.6
71.29150	0.8
79.01900	0.8
83.01386	2.6
93.03467	2.3
95.01403	1.6
95.05020	0.7
96.96033	1.7
97.02972	3.7
108.02181	1.2
109.02966	5.8
113.02441	0.6
120.02152	3.4
121.02972	6.6
123.00887	0.7
123.04501	0.7
124.22340	0.5
125.02454	100.0
126.02799	2.2
133.02997	2.9
136.01653	0.7
137.02461	12.0
138.03108	0.8
139.04021	1.4
149.02443	1.2
155.03462	0.9
159.04482	0.6
161.02461	22.2
162.03169	1.6
163.00409	1.2
164.01158	20.0
165.01938	51.4
166.02263	2.0
172.05310	0.8
175.04042	1.3
177.01936	2.6
181.01448	0.6
197.04564	21.1
198.04913	1.2
201.05547	0.8
203.03481	1.9
225.05592	0.7
241.05078	1.9
243.06635	1.4
245.04573	0.7
247.86288	0.5
248.12877	0.5
248.25876	0.5
269.04630	1.5
271.09769	2.2
275.09268	0.9
287.05637	5.4
299.60056	0.6
319.08264	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	319.0826
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
55.65678	0.5
55.80011	0.5
59.01379	3.2
65.03973	1.0
69.03475	1.0
69.11998	3.6
71.01394	1.3
73.02939	2.1
74.06921	0.5
81.03468	2.3
82.02990	1.0
83.05044	5.7
85.02979	0.8
93.03468	38.9
94.03805	0.6
96.02242	1.0
96.96027	1.9
98.21788	0.9
99.08169	3.4
101.06109	0.6
109.02945	0.6
109.35925	0.6
111.04534	11.8
111.05241	1.0
115.07835	0.6
115.81969	0.5
117.03477	7.5
119.05040	100.0
120.05373	3.9
127.07636	0.7
136.07657	0.7
137.02458	26.9
138.05608	0.6
145.02960	18.9
146.03300	1.1
155.03520	22.8
157.08699	0.5
163.04025	95.2
164.04395	4.4
173.04535	1.1
179.08246	1.0
187.13420	2.3
192.08722	0.5
201.02005	1.0
201.05424	0.5
257.12891	0.7
275.10287	0.5
319.08249	12.8
319.12921	2.1
319.21240	5.0
320.08435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0832
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
57.03449	14.1
59.01383	7.7
65.03963	1.0
67.68888	0.7
69.03455	1.4
71.01398	5.8
71.05021	1.0
73.02951	2.6
79.95753	0.8
81.03461	1.7
83.05054	5.3
83.75196	0.6
85.02944	2.8
89.02455	3.9
93.03466	40.5
95.01404	0.8
96.96021	90.4
97.06596	0.7
99.00888	1.5
101.02457	2.9
109.01646	0.7
109.06590	2.3
110.02484	0.9
111.04527	11.7
111.05236	1.1
112.89384	0.7
113.02471	2.2
117.03487	7.8
119.03642	2.5
119.05039	100.0
120.05389	2.8
123.08143	4.0
129.02029	0.7
137.02457	27.2
138.02858	0.8
145.02968	21.1
146.03255	0.8
151.11337	4.0
155.03517	17.5
155.04733	1.2
161.04604	1.4
163.04027	86.9
164.04373	3.6
173.04543	1.9
179.10768	1.2
195.13910	14.2
222.22934	0.7
233.64412	0.8
239.12904	28.6
240.13232	2.2
319.08466	31.4
320.08878	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03175	0.9
57.03457	17.6
59.01365	2.0
65.03976	0.8
69.03461	1.3
71.05031	0.7
73.02953	1.3
79.95753	1.1
81.03452	1.1
83.05050	3.0
85.02972	1.5
87.00872	0.8
93.03467	19.6
96.96022	100.0
109.06595	2.7
111.04535	6.0
112.98808	0.9
117.03480	2.9
119.05041	46.8
120.05373	1.4
121.76202	0.6
123.08215	3.5
125.09718	1.5
125.93980	0.7
128.01715	0.6
135.08153	1.4
137.02454	13.6
138.02800	0.7
138.05574	0.6
145.02985	10.3
151.11278	3.8
155.03520	10.5
163.04024	48.3
164.04372	2.4
187.13445	1.6
195.13908	15.1
196.14128	0.7
203.08475	1.0
239.12901	32.8
240.13191	1.9
319.08536	30.6
319.21082	1.5
320.08847	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	319.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	15.0
59.01385	1.5
69.03453	0.8
70.27076	0.6
70.27405	0.3
71.01373	0.9
75.76632	0.3
79.95744	1.1
85.02946	1.1
93.03462	0.6
96.96021	100.0
97.06574	0.4
98.22713	0.3
109.06602	2.8
109.10217	0.3
111.04533	0.4
112.04061	2.2
119.05025	1.4
121.05338	0.6
121.06548	0.3
122.06119	0.8
123.03304	2.2
123.08172	3.6
124.04061	1.6
125.09746	0.9
134.37355	0.3
135.08185	0.9
136.07689	6.6
137.02461	0.6
137.06065	0.4
138.05626	12.0
139.06009	0.4
140.07202	0.4
142.87459	0.3
145.03017	0.7
151.11287	4.1
157.08742	0.6
163.04022	1.4
179.10759	1.0
182.04671	0.9
183.05344	1.5
184.06206	2.9
195.13914	15.2
195.59671	0.4
196.14291	1.0
239.12904	34.7
240.13342	2.2
257.12973	1.2
319.08594	29.4
319.12851	1.3
319.21024	0.8
320.08884	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	319.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87373	1.5
57.03448	3.4
59.01384	68.9
64.49564	1.8
66.62400	1.4
71.01381	29.8
73.02937	4.3
77.34329	1.2
83.01405	3.0
84.04578	1.4
84.37008	1.3
85.02953	7.1
87.00886	2.3
89.02448	21.5
96.96024	7.9
101.02454	16.7
109.40852	1.3
111.08170	22.0
112.04062	11.5
113.02463	8.1
117.36051	1.4
119.03529	5.9
120.04588	2.6
120.66503	1.3
121.05361	4.0
122.06128	5.6
123.03269	18.3
124.04053	19.5
136.07698	44.9
137.06082	2.2
138.05623	89.4
139.06006	3.2
139.07657	6.4
140.07198	4.3
157.08713	70.9
158.08974	1.8
170.98338	1.7
182.04643	6.3
183.05318	12.2
184.06172	22.6
199.09833	3.1
235.14818	1.3
257.12839	9.9
319.13974	100.0
319.21188	5.5
320.14478	7.1
328.90341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22612	1.1
55.01864	1.6
57.03456	13.2
57.65058	0.9
58.55089	1.0
59.01383	20.1
62.23381	0.9
69.03466	1.4
69.18509	2.9
69.18916	3.3
71.01386	18.1
73.02955	7.0
82.81315	1.0
83.01391	3.8
83.05079	0.9
83.89091	0.8
84.04601	1.2
84.78046	0.9
85.02951	8.7
89.02442	2.6
93.03458	2.2
94.78092	1.0
95.05044	2.7
96.96021	84.3
99.00888	2.3
101.02458	18.2
101.40918	0.9
109.06603	2.3
110.82753	0.9
111.00820	1.3
111.04576	1.0
112.04040	12.2
113.02460	8.4
119.03430	1.1
119.05026	7.6
121.05336	5.4
122.06126	3.9
123.03291	14.3
123.08146	3.3
124.04066	15.0
136.07700	46.6
137.02502	2.6
137.06105	3.6
137.08041	1.5
138.05626	100.0
139.05960	2.6
140.07185	5.4
143.03459	1.2
145.03030	1.2
151.11382	1.9
157.08665	1.7
157.12395	1.1
159.02994	2.2
160.11525	1.0
161.04544	7.5
163.04007	7.2
166.05124	1.1
168.77214	1.0
182.04601	6.7
183.05388	13.6
184.06169	28.1
185.06490	1.4
195.13911	12.2
200.48074	1.1
203.08229	2.3
215.04317	1.5
239.12903	29.1
240.13293	1.8
242.10498	1.5
257.12936	10.3
319.08548	23.3
319.13004	8.2
319.17270	2.3
320.08817	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	319.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03452	3.9
58.00597	0.8
59.01385	50.5
60.01679	0.6
71.01388	22.0
72.99308	1.1
73.02956	2.8
83.01405	2.4
83.74543	0.5
84.02142	0.9
85.02951	6.3
87.00905	1.5
89.02450	15.5
95.01385	1.1
96.28932	0.7
96.96023	19.5
101.02445	14.6
109.06651	0.6
109.84842	0.6
111.08164	20.9
112.04044	1.8
112.08548	0.8
113.02459	8.3
114.61726	0.6
119.03501	7.6
121.05368	0.6
122.06120	0.8
123.03295	2.7
124.04053	2.5
136.07698	6.7
137.06129	1.0
138.04556	0.8
138.05626	14.7
139.07651	6.5
141.09201	0.8
151.11285	0.6
153.09175	0.7
157.08717	64.5
158.09064	2.2
161.04498	0.8
173.00987	0.7
179.05653	0.7
182.04579	1.6
183.05339	2.3
184.06126	4.3
195.13892	2.4
199.09782	2.0
239.12878	5.4
257.12982	2.0
258.57800	0.6
263.51013	0.7
307.30890	0.6
316.63306	0.6
319.08801	4.7
319.13986	100.0
320.14285	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	319.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29559	0.3
57.03456	0.8
58.98874	0.3
59.01387	26.2
60.01733	0.4
65.00319	0.4
69.52287	1.1
71.01388	1.6
72.99316	1.0
73.02974	0.4
83.01396	0.4
84.99326	1.3
85.02964	0.4
87.00888	14.5
89.02469	1.0
93.03469	0.4
95.01390	0.4
96.64580	0.3
101.02456	1.1
103.00383	12.4
107.01372	0.7
112.98827	22.8
113.02505	0.4
113.11353	0.4
113.99171	0.4
119.05022	0.4
121.02961	0.6
125.02464	3.1
130.99872	3.5
138.05621	0.4
140.91112	0.3
141.12891	3.5
143.80588	0.3
149.00920	1.2
149.09702	0.4
151.00378	1.5
152.01218	0.4
153.01910	0.3
165.01913	0.4
165.83134	0.4
169.12360	0.8
172.39299	0.4
177.01938	0.4
178.99905	1.6
185.11871	0.4
187.13414	100.0
188.13750	4.8
191.03593	0.4
193.01509	0.4
257.08337	1.0
273.04153	0.4
301.03644	1.3
319.04474	1.7
319.08270	1.7
319.14050	4.3
319.21097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1401
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01894	1.8
57.03444	3.9
59.01384	89.7
65.85113	0.8
71.01387	38.5
72.99294	1.5
73.02953	4.1
73.04073	2.6
74.66825	0.9
83.01402	3.1
85.02955	11.8
87.00861	1.4
89.02452	36.4
92.36963	1.0
95.01398	2.4
96.96014	17.1
99.00858	1.2
101.02451	27.0
107.27144	0.9
113.02457	17.1
116.07185	2.4
119.03510	16.1
123.08164	1.4
125.09734	2.6
139.04025	3.4
139.07675	19.7
143.03490	1.0
149.04552	1.3
150.05681	1.0
157.08716	3.7
161.04556	2.7
161.05872	0.9
174.00568	0.9
187.09785	4.3
195.13959	3.3
224.34676	0.9
239.12933	4.1
319.13989	100.0
320.14529	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	319.1552
Annotation	Zearalanone
Peak:m/z	Relative Intensity
54.43552	0.4
57.03443	3.3
59.01362	1.0
61.13902	0.3
61.98810	0.4
63.46822	0.4
63.80054	0.3
65.00342	0.8
65.40385	0.3
69.33349	0.6
69.33765	1.3
79.54621	0.3
81.03461	5.2
83.01389	4.0
83.05035	1.0
95.05014	0.6
96.24855	0.3
98.21944	0.8
99.04511	0.6
107.05019	0.4
109.02960	0.5
109.06602	0.5
122.03788	1.9
123.04539	8.5
124.01667	1.4
124.04937	0.4
125.02428	0.8
133.03033	0.4
135.04456	0.4
136.05347	0.8
137.02451	1.8
138.03244	2.2
147.21614	0.4
148.05356	0.5
149.02440	1.9
149.09752	0.6
150.03268	0.6
151.00400	1.6
151.07698	0.4
152.04764	0.6
163.04034	1.5
164.04802	0.6
165.01979	0.5
166.02727	12.4
167.03442	0.7
171.23087	0.4
175.00334	1.2
175.11342	0.7
176.08476	0.9
177.01970	0.5
177.05659	0.9
178.06314	0.4
179.03514	8.7
180.04291	7.1
180.33771	0.4
183.53078	0.4
189.01935	0.6
191.03516	34.3
191.10867	0.7
192.04047	2.8
193.04997	0.5
204.04362	0.5
205.05061	8.8
206.05434	0.6
215.14415	0.4
217.12383	0.8
219.06653	2.6
220.07417	6.8
221.07909	0.5
259.09790	0.5
275.16541	1.7
277.14493	3.5
290.11197	0.4
316.66122	0.5
319.15521	100.0
320.15851	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	319.1552
Annotation	Zearalanone
Peak:m/z	Relative Intensity
57.03453	2.0
59.01379	1.0
65.00327	0.6
69.03474	0.3
69.15712	2.2
72.32242	0.3
74.19504	0.3
78.34566	0.3
80.50621	0.4
81.03452	3.9
83.01392	7.4
83.05037	0.7
88.65487	0.3
93.03474	0.3
95.01418	0.5
95.05035	0.6
97.06499	0.3
105.07057	0.3
107.05036	0.4
108.78069	0.3
109.02992	0.5
109.06625	0.3
110.89922	0.3
122.03754	1.2
123.04534	3.2
124.01696	1.0
125.02472	0.6
133.06567	0.8
135.04546	1.0
137.02466	3.8
138.03236	1.3
147.08206	0.8
149.02475	0.5
149.06145	0.6
150.03221	0.5
151.00395	1.5
151.03944	0.5
152.04779	0.6
163.00368	1.3
163.04094	0.4
164.04808	2.7
166.02725	9.4
167.03381	0.5
175.00285	0.5
175.07657	1.5
176.01137	0.7
176.08443	0.6
177.01949	0.6
179.03510	27.2
180.04138	2.4
189.09270	1.7
191.03510	9.5
191.07132	0.4
191.14369	0.6
192.04265	3.7
205.05037	1.7
209.15472	0.4
214.73399	0.3
217.12334	1.0
219.06654	3.3
220.07332	0.9
233.06230	0.3
233.08186	1.8
233.15527	0.8
234.08968	2.2
235.13409	0.8
255.13809	0.4
259.13385	0.4
262.00186	0.4
275.16415	1.6
277.14478	5.4
297.89767	0.3
303.12222	0.5
309.00995	0.3
319.15509	100.0
320.15857	8.7
320.19434	0.3
341.38708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1553
Annotation	Zearalanone
Peak:m/z	Relative Intensity
70.63670	1.1
77.03625	0.5
77.03986	4.6
93.03471	0.6
107.01446	0.6
109.02962	2.8
117.07106	3.4
121.02966	1.7
124.01684	0.8
133.06636	0.9
136.01659	1.6
137.02460	10.8
138.03212	1.8
149.02461	2.2
149.06104	1.5
150.03229	0.9
151.00450	0.8
152.01166	3.7
161.06036	0.9
163.03879	0.7
165.01939	28.0
166.02719	7.7
175.03938	0.8
176.01183	2.5
176.04846	0.8
177.01945	22.7
177.05566	14.5
178.02658	2.4
179.03520	1.5
187.03944	0.8
190.02786	1.1
191.03532	6.4
192.04297	1.3
198.01743	2.4
199.07895	0.7
203.03558	4.7
204.04257	1.5
205.05074	37.4
206.05626	2.7
217.05086	1.0
217.08792	0.8
219.06638	4.2
220.07420	4.7
229.05135	0.7
229.08815	0.8
231.06621	4.9
241.04851	0.7
243.06606	3.0
245.08202	35.1
246.08611	2.1
287.12881	11.6
288.13309	1.5
289.10867	6.2
303.12332	1.6
304.13174	55.4
305.13474	5.6
319.15515	100.0
320.15842	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	319.1553
Annotation	Zearalanone
Peak:m/z	Relative Intensity
50.92398	0.7
51.95510	0.6
61.28838	0.7
61.98839	1.0
65.23019	0.7
65.47639	0.6
71.39812	0.7
75.94100	0.7
77.03995	1.3
82.50787	0.7
86.28344	0.7
93.03456	0.8
101.35582	0.7
102.61230	0.7
109.02935	0.8
117.07059	0.7
119.94630	0.7
121.02950	1.5
125.53618	0.6
131.08682	1.4
136.01675	2.2
137.02496	3.5
138.03180	2.2
147.08110	0.8
149.02454	3.6
149.03485	0.7
152.01122	1.6
164.01221	1.2
165.01959	7.6
165.53236	0.7
166.02715	4.2
173.06087	1.0
177.01942	28.7
177.03520	1.4
178.02539	1.2
179.03514	5.8
191.03583	1.2
191.07127	10.1
192.04276	3.3
198.01727	2.4
205.05029	2.4
206.05806	2.2
217.05086	8.6
218.05568	0.8
219.06635	98.8
220.07269	11.2
233.08191	6.9
234.08865	0.9
235.06093	1.9
287.12912	15.2
288.13187	1.2
304.13177	56.6
305.13623	4.0
319.15518	100.0
320.15884	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	319.1555
Annotation	Debromohamigeran E
Peak:m/z	Relative Intensity
57.03448	1.4
59.01397	1.1
60.46557	0.6
61.24075	0.7
73.64430	0.6
79.05541	5.4
80.25546	0.9
81.03465	2.7
91.73106	0.7
103.56771	0.7
109.02948	1.3
119.33395	0.7
120.25275	0.8
121.02946	1.9
122.03752	76.2
123.04546	73.1
123.05265	1.0
123.05489	1.1
124.04863	2.3
135.04555	6.9
149.06094	1.0
161.02420	0.9
163.11302	1.2
173.06024	0.8
176.08435	0.9
177.01950	1.0
187.13318	1.0
217.12347	6.4
231.17494	2.6
275.16547	100.0
276.16888	7.6
319.12073	1.5
319.15506	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62363	0.5
59.01416	0.6
66.58572	0.6
74.31236	0.5
75.25554	0.6
79.05534	8.7
81.03459	5.3
93.03477	0.8
95.05031	0.6
108.02184	0.8
121.02979	1.9
122.03754	33.4
123.04540	100.0
124.04909	1.9
135.04515	5.1
136.05319	3.7
137.06128	0.6
147.04591	0.7
154.86635	0.6
161.13405	1.3
189.01926	1.3
205.12349	14.8
206.12808	1.1
233.00938	0.7
257.15485	1.4
275.16553	70.5
276.16821	5.5
319.08435	1.3
319.12173	1.8
319.15555	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	319.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68813	0.5
58.02688	0.6
58.02978	9.3
58.49752	0.6
66.03478	0.8
68.32954	0.5
70.98817	0.5
72.00916	6.3
82.06634	3.8
88.20226	0.5
91.05540	25.9
96.00950	0.6
96.03353	0.9
102.00520	0.5
102.43269	0.6
103.05486	0.7
112.07686	4.2
116.05064	0.7
118.06625	3.3
126.09244	1.6
129.10352	82.2
130.10684	1.8
135.04510	0.6
139.08824	0.6
140.10681	0.6
140.78238	0.6
147.04529	27.8
148.04898	0.9
153.10335	4.4
154.08745	10.9
155.09174	0.6
164.07173	69.3
165.07568	2.7
171.11397	62.1
172.11790	1.0
172.73537	0.5
178.30154	0.6
183.75183	0.6
192.55844	0.6
201.01936	0.5
216.13966	2.2
233.16592	38.2
234.16910	2.9
245.00986	0.7
245.83287	0.5
262.04929	1.0
275.17691	6.5
277.15704	2.7
305.05658	2.1
319.16632	100.0
320.08322	1.2
320.16956	7.1
332.49496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2281
Annotation	19S-HETE
Peak:m/z	Relative Intensity
51.38092	1.6
57.03451	2.0
58.00594	1.8
59.01390	18.6
71.01380	2.9
71.10895	1.7
73.02952	14.7
74.45280	1.6
77.84822	1.5
116.01390	1.8
247.42435	1.9
252.27855	1.9
259.20627	1.6
263.23868	2.9
273.22266	6.2
291.23300	11.2
301.21710	2.1
319.22800	100.0
320.23135	7.9
342.42874	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	319.2282
Annotation	19S-HETE
Peak:m/z	Relative Intensity
61.98812	1.6
69.38040	1.9
69.38318	5.6
79.95766	3.0
80.65298	1.2
90.95696	1.1
110.42059	1.2
120.18349	1.1
123.26666	1.2
141.71719	1.1
174.69745	1.3
177.01987	1.5
178.02846	1.4
186.42233	1.2
191.07210	1.7
193.05000	2.3
196.08679	1.2
219.06654	10.3
260.87299	2.0
275.20468	1.5
285.46341	1.2
304.13113	5.3
319.15494	11.1
319.22797	100.0
320.18939	6.1
320.23126	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	321.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01414	3.6
59.01383	100.0
70.25753	9.2
71.01396	50.4
85.02975	4.9
89.02455	97.0
101.02445	24.1
113.02457	22.7
119.03516	30.9
139.96880	3.6
143.03502	7.7
161.04530	6.4
179.05637	34.4
193.05959	3.9
219.70013	3.8
327.15714	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	321.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96378	5.2
59.01385	100.0
62.78529	4.9
66.82887	4.6
69.82635	14.4
69.83024	11.0
71.01389	54.6
85.02977	12.8
85.21371	4.7
87.00878	6.8
89.02456	86.7
98.22533	5.5
101.02451	26.1
113.02459	16.7
118.75355	4.8
119.03544	25.0
125.02390	6.4
133.01466	4.9
143.03523	8.2
156.98230	4.9
161.04567	8.0
179.05617	30.2
221.40897	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	321.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.9
69.63780	1.8
71.01385	1.6
72.99310	0.6
76.24675	0.5
85.02935	0.7
85.06599	100.0
86.06937	2.0
87.00877	3.3
87.66182	0.4
89.02467	0.8
93.03468	0.6
96.95985	0.6
98.21918	0.6
101.02452	1.1
113.02488	0.6
113.06102	21.1
115.04025	17.0
129.05603	6.5
129.41750	0.5
135.54308	0.4
137.02539	0.6
142.96663	0.4
149.00923	1.8
157.05078	6.3
159.06685	0.5
165.20450	0.4
189.07721	13.9
190.08057	0.8
271.66965	0.4
273.62305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0884
Annotation	Hadranthine A
Peak:m/z	Relative Intensity
59.01387	1.0
69.39664	2.5
73.02984	0.5
81.91056	0.5
96.96044	0.6
110.02617	0.4
114.12329	0.4
131.03795	0.5
139.95670	0.5
146.02486	8.3
147.03262	1.5
158.02449	2.8
159.03250	3.6
195.72939	0.5
207.03722	0.5
219.06493	1.1
220.03925	0.5
222.05759	0.5
232.06418	0.6
233.07181	0.9
234.05652	3.4
235.05061	7.4
236.05235	0.6
243.47467	0.5
248.05852	1.1
249.06732	7.6
257.37885	0.5
261.06824	2.4
262.05115	4.2
262.07547	0.7
263.04575	32.9
264.05014	2.0
275.04666	1.9
276.05515	3.2
277.06192	50.8
278.06726	5.4
288.05478	1.0
289.06192	1.5
291.04138	23.7
292.04556	1.2
303.08014	0.6
305.05612	5.0
306.06479	67.5
307.06805	4.6
321.08820	100.0
322.09171	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	321.0883
Annotation	Telikovinone
Peak:m/z	Relative Intensity
55.88869	1.9
62.95947	1.8
68.48723	1.8
78.46867	2.0
90.27805	2.2
127.97568	2.3
128.61394	2.1
133.73759	2.0
138.39786	2.1
146.02534	6.9
159.03326	5.1
212.68143	1.9
235.05139	6.2
249.06702	5.5
262.05051	3.5
263.04565	33.7
277.06198	45.7
278.06689	5.1
291.04172	21.9
292.04364	3.4
306.06470	69.2
307.06958	4.1
321.08829	100.0
322.09171	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	321.0884
Annotation	Telikovinone
Peak:m/z	Relative Intensity
59.01368	3.0
63.65247	1.5
66.04497	1.7
69.05795	9.1
70.32176	1.6
146.02501	8.3
158.02589	1.9
159.03302	3.6
234.05772	3.1
235.05214	8.8
243.14244	1.5
249.06718	6.5
262.05081	4.1
263.04562	30.9
264.04944	4.3
276.05475	2.6
277.06226	44.8
277.09308	2.5
278.06555	4.7
289.06149	1.9
291.04123	23.7
305.05667	5.4
306.06488	63.1
307.06784	6.6
321.08820	100.0
322.09140	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61352	0.4
54.30778	0.4
55.01866	0.6
57.03446	0.8
58.00594	0.5
59.01386	50.6
60.01754	0.4
62.92080	0.4
69.85091	0.4
71.01390	20.9
72.01730	0.7
72.99337	0.7
73.02953	1.7
83.01401	1.5
85.02956	4.3
87.00885	1.1
89.02455	19.0
95.01393	1.5
96.96040	0.7
100.83231	0.4
101.02459	14.7
109.38310	0.5
113.02464	7.7
113.09743	28.0
114.10030	0.7
119.03516	7.2
127.11312	0.8
131.03534	0.5
141.09235	5.4
143.03458	0.6
143.10794	1.7
155.10802	2.8
157.08707	0.4
159.10283	64.5
160.10602	2.3
161.04558	0.5
179.05620	1.1
182.32410	0.4
192.47910	0.4
201.11391	2.3
225.40140	0.5
266.20654	0.4
321.15564	100.0
322.15921	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	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33504	0.9
53.58487	0.8
55.01883	1.0
57.03465	1.1
58.00589	1.0
59.01384	100.0
59.48882	0.9
66.91805	0.9
71.01389	56.1
72.97226	1.0
72.99334	1.2
73.02948	2.1
80.96531	1.1
83.01383	2.3
85.02955	7.8
87.00848	1.6
87.30044	1.1
89.02454	67.5
95.01400	3.0
101.02455	26.3
113.02454	21.4
118.11999	0.9
119.03513	26.1
128.70421	0.9
131.03528	2.1
135.02106	0.9
136.07698	2.0
140.73651	0.9
141.08148	1.9
141.09236	33.8
142.09554	2.7
143.03528	3.6
149.04614	1.3
161.04584	2.5
173.82697	0.9
179.05630	4.0
184.06255	1.2
259.11362	1.2
275.66367	1.0
321.06268	1.1
321.10306	1.4
321.15598	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91175	0.7
56.66665	0.7
57.03451	2.7
59.01385	100.0
62.27933	0.7
62.62760	0.7
69.25402	2.7
69.25800	1.6
70.14091	0.6
71.01402	3.3
73.77574	0.6
84.30348	0.7
89.02454	4.3
96.96007	5.1
98.95620	8.8
98.96464	1.6
101.02477	2.1
113.02516	1.0
119.03555	1.3
136.07739	1.2
138.09300	0.8
179.05728	1.0
195.13992	2.0
239.12991	3.2
241.13553	0.9
321.08191	3.9
321.15860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03445	1.1
58.00587	0.8
59.01386	72.7
63.36819	0.7
69.09989	2.0
69.10396	3.2
71.01389	26.8
72.99324	1.1
73.02953	2.3
75.00851	0.9
78.18807	0.7
83.01402	2.6
85.02957	5.7
87.00881	1.2
89.02457	22.7
95.01392	2.2
96.96008	5.7
97.06586	1.2
101.02454	17.2
113.02459	9.9
113.09743	16.7
119.03515	10.5
131.28667	0.8
138.09267	0.9
141.09229	5.2
143.10803	2.2
149.04518	1.0
155.10735	0.9
159.10295	44.0
160.10684	1.3
161.04582	1.6
177.09232	1.5
182.08199	2.0
201.11378	1.6
241.14565	0.9
290.68475	0.8
321.09796	3.0
321.15570	100.0
322.15924	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1608
Annotation	Panarine
Peak:m/z	Relative Intensity
56.68407	0.6
76.28500	0.6
76.93951	0.6
79.44802	0.5
86.00410	0.6
98.36266	0.6
126.82780	0.6
131.03790	2.0
132.04529	2.2
144.04543	6.5
145.05304	1.0
159.03271	3.3
166.70032	0.6
167.94418	0.5
168.48851	0.6
172.04031	2.8
181.05464	0.9
182.06102	3.5
183.03256	38.8
184.04031	21.3
185.00786	0.5
185.04768	2.9
196.04037	2.9
196.07722	7.6
197.04805	1.9
197.08411	1.3
198.09250	1.3
208.07686	1.3
210.05615	29.2
211.06377	27.6
212.06824	1.5
220.93530	0.6
224.07181	6.9
225.07965	14.9
226.08376	0.8
227.83424	0.6
266.15549	2.5
268.09070	0.7
279.12552	1.1
279.89746	0.6
284.16602	1.7
288.58112	0.6
294.14996	100.0
295.15320	8.5
321.16080	35.3
322.16537	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2073
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.47159	1.3
59.01387	100.0
61.98830	2.8
82.61035	1.3
88.54981	1.3
92.92746	1.5
103.04031	1.6
134.09268	1.3
178.94403	1.9
197.87477	1.3
253.79950	1.3
266.92444	1.4
321.16949	2.5
321.20728	51.2
322.21109	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	322.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01087	0.8
59.01384	14.3
67.65199	0.6
68.77302	0.5
70.00725	1.6
71.01376	1.7
72.00912	23.1
82.58624	0.5
85.02963	2.2
85.06589	0.9
87.00892	0.9
89.02457	1.7
91.05527	2.0
98.22606	0.7
99.97154	0.7
101.02464	1.6
102.25858	0.6
103.05553	3.3
109.80109	0.6
111.06677	0.5
113.02448	0.8
119.03584	0.6
125.02422	0.8
127.96693	0.6
132.98137	0.6
135.32619	0.6
141.98251	7.4
143.03555	0.7
147.04538	61.9
148.04878	2.9
160.04060	5.0
161.04530	1.8
164.07181	100.0
165.07509	3.5
174.99261	1.6
187.98813	6.9
229.99713	1.4
263.11249	1.1
322.06110	80.2
323.06366	5.2
323.13458	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	322.0934
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01384	100.0
69.31025	5.8
71.01389	45.4
73.02954	2.2
73.76492	1.2
79.14556	1.3
83.01379	2.1
85.02952	10.7
87.00886	2.5
89.02451	41.4
95.01373	3.5
98.22700	1.5
101.02448	24.3
103.33576	1.3
113.02461	17.6
116.05074	31.4
119.03517	17.7
125.02474	3.0
130.46118	1.4
131.03535	1.9
143.03467	4.9
144.44992	1.5
144.50809	1.5
149.04614	2.1
155.73326	1.4
160.04056	52.4
161.04507	5.2
179.05656	4.5
202.03355	2.6
202.05118	27.2
232.06204	4.4
262.07224	32.6
263.07446	2.1
322.09326	43.7
323.09705	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	322.2026
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02968	2.0
67.36675	0.2
71.04733	0.3
74.22370	0.2
79.74693	0.3
81.03432	0.4
95.05042	0.6
97.06584	0.5
109.06601	0.3
128.10840	7.1
129.11232	0.4
130.08751	100.0
131.09103	2.5
153.01375	0.3
164.47484	0.3
165.12863	0.8
172.09818	0.4
228.30769	0.2
230.10551	0.3
253.99872	0.2
322.20251	28.3
323.20660	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	323.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94836	0.2
51.49057	0.2
52.76558	0.2
59.01377	0.2
62.87790	0.2
66.20893	0.2
71.48859	0.2
77.51718	0.2
85.67219	0.2
89.03976	0.9
99.75216	0.2
118.34692	0.2
155.08681	0.3
157.06604	0.4
160.01657	0.4
161.02458	6.6
162.02786	0.2
171.08173	1.1
173.06071	0.3
174.03204	0.9
181.06612	2.7
182.03728	0.2
182.06824	0.2
184.05328	0.3
197.06102	0.8
199.04068	0.3
199.07634	0.6
201.05600	0.8
210.03307	0.2
213.01869	0.3
215.07149	0.6
224.04605	0.3
225.05579	16.0
226.05820	1.1
227.03580	0.4
228.04276	0.8
243.06622	100.0
244.04462	0.4
244.06973	6.1
263.07114	0.2
279.06577	0.2
279.82224	0.2
281.47571	0.2
291.00034	0.2
292.54132	0.2
292.92529	0.2
309.07736	0.9
323.02307	11.1
323.18506	0.2
324.02444	0.6
324.10071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94615	0.2
59.01357	0.8
70.13308	0.6
71.01381	0.5
74.34390	0.2
75.13913	0.2
77.00809	0.3
79.05506	0.8
79.95731	0.3
81.03443	0.4
82.17226	0.2
83.05067	0.2
89.03935	0.3
89.53790	0.3
107.05048	3.5
109.84958	0.3
121.02967	0.4
125.02436	0.3
128.06351	0.5
130.04167	0.3
135.04532	0.4
143.08664	0.7
152.03539	0.7
155.08699	3.3
156.05804	0.6
157.06557	0.4
161.02480	1.3
171.08170	3.3
173.06116	0.3
174.03244	0.3
181.06601	1.6
187.07710	0.5
197.06044	0.7
199.07648	6.2
200.07993	0.4
215.07153	2.0
225.05594	4.4
226.05812	0.3
243.06627	100.0
244.06969	6.1
269.04990	0.2
323.02325	21.8
323.14938	0.8
323.18433	0.3
324.02689	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	323.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
59.01385	100.0
63.48130	1.9
65.69340	1.7
71.01392	27.0
71.13732	2.8
73.02943	5.6
73.57796	1.9
74.43338	2.0
78.95895	10.6
81.03486	2.0
85.02956	8.5
89.02456	19.8
95.01389	2.3
99.04563	2.8
101.02444	22.4
105.21595	2.0
110.03574	2.8
113.02448	10.3
119.03511	7.2
121.02972	4.8
125.03587	10.7
143.07245	2.3
151.03972	2.5
161.04565	11.4
161.08244	4.6
179.05672	2.9
211.00145	8.1
263.11313	4.9
323.06729	9.4
323.13547	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	323.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50613	2.6
54.68742	3.0
59.01384	96.5
69.03464	4.8
69.41598	15.4
71.01387	50.8
73.02955	69.7
81.03474	2.7
85.02944	24.2
87.00877	6.4
87.04507	4.4
89.02459	36.9
92.31448	2.6
97.02940	8.0
101.02447	100.0
101.06099	21.3
113.02475	15.9
115.03996	6.6
119.03485	12.0
121.02949	6.5
125.02459	15.9
131.03500	6.0
135.04530	12.0
143.03479	7.3
161.04539	11.7
165.01881	3.9
179.05659	6.6
181.07162	3.3
197.56134	2.5
221.06679	10.7
313.27219	3.0
323.07620	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26997	1.5
55.01878	2.8
57.03456	1.8
59.01385	100.0
63.70240	1.4
67.94992	1.4
69.03462	6.2
69.05356	7.6
69.05763	2.2
71.01385	71.1
72.99321	2.2
73.02947	10.5
76.25652	1.6
81.03480	2.6
83.01397	5.0
85.02958	13.3
87.00862	4.7
87.18730	1.5
89.02451	50.0
90.02820	1.6
95.01398	5.2
97.02965	10.6
99.00871	1.7
99.23079	1.4
101.02453	37.5
109.02940	2.2
111.00877	2.1
113.02460	22.7
119.03521	21.7
120.99671	1.9
125.02457	23.3
131.03534	4.8
133.02928	1.8
137.02496	1.6
139.04008	2.0
140.37791	1.8
143.03493	6.9
149.04646	2.0
161.02478	2.1
161.04565	5.3
168.28905	1.6
179.05629	3.2
196.64043	1.5
203.03592	1.4
221.06670	6.6
263.07971	2.6
294.73105	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	323.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.8
59.01386	100.0
71.01392	45.5
71.44919	2.7
73.02956	57.2
75.90469	1.9
78.17689	2.4
80.67298	2.1
83.01405	2.9
85.02955	23.5
87.00907	4.3
87.04520	8.0
89.02460	33.3
89.37023	2.4
95.01349	2.7
96.96098	2.6
97.02962	7.7
101.02454	88.7
101.06087	27.2
113.02459	18.5
115.04011	7.6
119.03531	11.9
125.02463	14.4
131.03510	7.3
134.71344	2.3
134.80855	2.0
143.03525	10.4
144.89294	2.2
161.04578	17.9
165.94751	2.1
179.05594	3.9
221.06718	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50898	0.7
55.01880	1.8
57.03455	1.7
58.00607	0.9
59.01384	100.0
64.67787	0.6
70.73248	2.1
71.01385	55.3
72.99306	0.8
73.02963	4.1
77.80605	0.7
83.01401	3.0
85.02957	12.0
87.00882	1.8
89.02450	45.3
95.01383	3.7
100.23927	0.8
101.02448	31.7
113.02458	18.0
119.03509	21.2
119.04343	1.4
131.03528	1.4
143.03502	3.8
147.06625	6.1
149.04507	1.7
161.02446	1.8
161.04588	6.9
161.08167	1.5
173.08203	1.3
179.03503	1.8
179.05573	1.8
209.08264	1.7
263.11334	2.4
287.36218	0.8
323.13486	65.7
324.13846	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81903	0.7
55.01886	1.4
57.03448	1.1
58.00581	1.3
59.01386	100.0
61.41649	0.7
69.68163	2.7
69.68507	1.1
71.01392	39.6
73.02965	1.9
83.01395	2.1
85.02959	7.3
85.67802	0.7
89.02454	39.3
92.52263	0.8
95.01383	2.3
101.02455	20.9
113.02470	13.2
119.03513	19.1
119.04336	1.6
131.03511	2.0
136.22972	0.8
143.03513	1.7
149.04626	1.3
161.04654	1.6
161.08247	1.0
179.05681	2.8
247.16286	0.9
306.15012	0.8
323.13513	75.3
324.14078	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	323.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99670	0.7
57.03450	2.2
59.01385	100.0
60.01719	1.4
68.12612	0.8
71.01398	3.0
73.02948	1.6
83.01407	1.0
85.02985	1.8
89.02474	1.3
96.96026	0.9
99.04536	1.3
101.02448	4.4
113.02485	2.5
161.04562	3.5
177.01984	3.2
226.00124	0.8
248.24077	0.7
263.15073	2.3
316.45593	0.8
323.18866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1865
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03462	28.5
59.01371	17.7
61.04511	5.6
64.30009	5.1
69.22433	11.9
69.22843	24.8
71.05033	39.1
73.02919	5.4
74.02471	7.0
81.03453	16.5
83.01385	10.0
83.05022	23.4
83.07210	5.6
84.02158	13.8
85.02959	6.8
93.03461	11.4
95.05029	72.8
96.96011	10.8
97.06582	17.2
99.04482	6.4
101.06058	9.4
107.04987	6.8
109.06603	11.0
113.06100	58.2
123.00867	21.3
123.04535	9.7
123.08118	8.9
125.06164	7.5
125.09718	25.8
130.08720	13.4
132.02170	15.9
135.08131	18.0
137.90182	5.2
143.26410	5.1
147.04485	5.3
158.90038	5.2
163.11275	8.4
165.09180	6.1
171.10246	15.7
177.12868	10.5
185.11842	19.9
189.12845	16.2
191.03494	7.5
197.12004	6.5
203.14293	7.8
209.09880	6.5
209.11842	93.3
211.13266	7.0
212.86368	5.2
231.13902	7.2
237.14983	100.0
238.15205	7.5
243.17497	12.2
249.04372	7.1
249.14949	9.9
259.16867	7.2
265.14478	12.6
287.16559	43.1
292.06284	9.2
305.17538	65.0
306.17978	8.9
323.15295	9.5
323.18588	45.9
324.05185	20.2
324.08658	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	323.2229
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
52.90093	0.5
64.40546	0.5
69.92693	1.1
75.29000	0.6
95.44860	0.5
121.73625	0.5
123.04546	1.2
124.05273	0.7
137.06099	1.4
156.04286	0.7
162.10481	0.7
165.09224	1.7
165.12866	1.6
167.10725	0.7
168.88052	0.5
220.82532	0.5
235.13536	0.6
247.75266	0.5
261.22253	4.5
279.23505	0.5
287.20123	0.8
305.21249	100.0
306.21616	7.7
323.22299	19.0
324.22620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10195	1.0
58.35880	1.1
59.01388	2.0
91.09286	1.0
96.96028	8.7
112.36330	1.0
113.09758	2.3
155.46341	1.0
194.38029	1.2
195.13892	15.8
199.80914	1.1
235.35083	1.3
265.14798	9.4
266.15042	1.6
277.21771	23.0
278.22287	1.7
278.42929	1.0
295.22794	100.0
296.23117	8.2
305.21384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2593
Annotation	(plusmn)11-HEDE
Peak:m/z	Relative Intensity
57.03447	0.9
59.01374	2.0
61.98814	1.4
67.26348	0.8
69.61231	2.9
71.30792	0.8
87.18730	1.0
96.96019	3.1
98.21921	1.4
107.56929	1.0
119.94639	1.4
127.11275	1.0
141.12856	2.7
179.14560	1.3
195.13927	17.7
265.14795	3.2
279.26770	0.9
305.24854	14.2
306.25308	1.3
323.25925	100.0
324.26215	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	324.0727
Annotation	Pancratistatin
Peak:m/z	Relative Intensity
59.01379	5.4
61.57742	0.8
64.96375	1.0
68.99823	81.9
69.63736	3.0
69.64089	1.6
71.01379	3.9
73.02924	1.0
77.03961	1.2
80.93410	0.9
85.02967	1.5
87.00882	2.0
89.02467	1.1
95.05039	1.5
96.99320	74.5
97.99667	1.5
99.00877	1.0
101.02438	1.4
105.03497	4.4
112.32310	1.1
112.98805	1.4
113.02486	1.1
117.94404	0.9
118.02946	1.1
119.05044	21.6
120.00923	11.3
123.04509	2.7
127.67747	0.9
130.99991	0.9
131.12515	0.9
133.02972	21.4
134.02600	1.5
134.03748	6.9
135.03311	0.9
135.04362	1.0
139.04039	1.0
146.01414	1.8
146.02495	23.3
147.03282	33.5
147.04460	2.1
148.00426	47.3
148.03793	1.1
149.01129	5.1
150.01970	1.5
151.03995	1.1
161.04832	6.9
162.02019	6.2
162.03258	0.8
162.05618	35.2
163.02759	48.8
163.04041	16.6
164.03545	8.3
165.04300	2.2
177.01920	9.4
178.01524	2.8
178.05112	53.9
179.05482	1.8
180.06715	3.0
189.00679	1.7
190.01427	3.7
191.00677	1.0
191.02197	6.7
191.05675	1.6
193.05096	10.7
204.03195	1.3
205.03845	3.3
206.00882	4.9
206.04610	3.4
218.00931	2.8
221.03333	2.2
224.05563	2.0
225.24629	1.0
232.02495	1.9
233.03279	6.0
234.00407	1.6
234.04088	5.0
236.05638	10.8
249.02809	1.1
264.05145	63.7
265.05438	2.7
309.04919	6.0
324.07278	100.0
325.07486	5.2
342.16458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0878
Annotation	Enterocarpam I
Peak:m/z	Relative Intensity
66.41824	0.9
74.50838	0.8
90.68878	0.8
92.17169	0.8
111.38060	0.7
132.29013	0.8
133.02963	3.5
158.02507	1.0
189.56828	0.8
191.89893	0.8
205.05359	1.3
218.06010	1.1
221.04825	94.0
222.05162	6.3
233.04803	8.2
234.05600	10.9
235.06030	1.1
236.07164	2.9
248.03539	1.0
248.07219	2.7
249.04312	59.1
250.04747	6.0
250.07039	1.1
251.05782	1.0
252.06715	6.8
263.06061	1.0
264.06647	3.8
273.76581	0.8
276.02875	1.8
277.03815	100.0
278.04233	10.2
292.06171	92.6
293.06509	6.6
324.08768	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	324.1609
Annotation	Paniculadine
Peak:m/z	Relative Intensity
61.98812	2.1
93.35750	1.5
143.03816	1.4
156.04585	2.6
162.05646	6.5
174.05650	20.4
181.05309	2.0
181.46332	1.5
182.06137	4.7
196.07716	5.0
200.03574	3.4
202.05135	23.0
203.05804	6.1
214.05136	27.3
214.08694	4.1
215.05901	59.4
216.06235	1.7
226.05164	3.7
238.08813	8.9
239.06027	3.0
240.06700	14.7
241.07385	4.9
254.08218	19.1
255.09007	31.5
256.09579	2.9
266.96475	1.4
297.24316	3.3
324.16074	100.0
325.15897	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	324.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86763	3.0
57.81317	2.9
61.98833	9.1
71.41430	4.9
77.10327	2.8
96.96030	3.4
116.92917	3.7
137.30495	2.7
144.43257	3.3
183.01228	40.1
184.01970	4.5
206.64778	2.7
223.69133	2.9
237.59210	3.8
238.83583	4.7
238.92017	3.1
278.20926	3.1
296.04974	3.4
325.18423	100.0
325.22214	7.1
325.27444	9.3
334.66336	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	325.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02107	0.2
59.01354	0.2
63.87736	0.2
65.03236	0.3
69.24412	1.4
75.22189	0.2
75.74886	0.2
76.71693	0.2
79.95761	0.7
82.28935	0.2
104.02694	10.8
105.02989	0.4
109.02979	0.3
120.02161	1.0
129.99481	0.3
133.02988	0.4
137.75180	0.3
148.01677	14.3
149.02014	0.4
176.01160	100.0
177.01605	5.3
195.08192	0.6
211.03864	0.3
211.07619	0.3
221.06110	1.0
222.06892	0.3
223.07661	0.5
230.02213	4.6
237.05617	1.5
238.06241	0.5
239.07193	1.0
245.04547	4.0
245.08308	0.7
246.04852	0.4
248.04819	0.4
249.05563	1.1
250.06366	0.5
255.96844	22.9
256.97189	1.1
259.27170	0.3
265.05008	0.4
266.05865	0.6
267.06647	4.4
277.05038	0.4
281.08105	0.5
295.06128	11.5
296.06409	0.9
302.16095	0.3
309.07651	0.5
310.08493	8.5
311.08710	0.8
325.00775	0.3
325.03983	7.0
325.10782	11.0
325.19846	0.4
326.04224	0.4
326.10852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20506	0.8
56.93697	0.9
58.33061	0.8
59.01384	11.5
60.85806	1.0
70.44010	1.3
70.44346	2.1
72.99305	1.5
79.99841	1.0
84.99313	1.3
85.02940	1.4
87.00889	10.4
89.03954	2.1
98.99464	1.1
101.02435	1.8
103.00388	4.2
107.17581	0.9
112.98820	11.0
113.02436	1.9
117.03481	8.0
119.05039	9.8
133.02931	3.0
134.03754	80.7
135.04086	3.5
137.02432	1.4
149.00912	5.2
149.06111	8.2
163.03998	7.9
166.13901	1.1
175.02483	0.9
178.02731	3.8
193.05074	100.0
194.05453	5.2
273.37967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46230	0.8
59.01385	19.4
61.98831	1.9
68.99812	3.9
69.17393	0.8
70.72561	1.2
71.01382	4.7
72.99318	10.6
78.95905	1.2
83.01391	1.2
85.02947	2.8
87.00883	13.4
89.02435	1.5
89.03960	3.3
99.00859	1.2
101.02444	6.3
103.00385	3.9
111.00837	1.0
112.98819	19.3
113.02473	2.6
115.04026	2.6
117.03480	7.4
119.05035	8.3
120.55161	0.9
133.01416	1.5
133.02995	1.2
134.03754	98.9
135.04108	4.1
137.02432	1.4
145.01440	3.0
149.00890	7.5
149.06081	7.5
152.95975	2.3
154.99939	1.1
161.87590	1.0
163.04021	6.6
170.97031	4.0
178.02739	4.3
193.05078	100.0
194.05446	5.9
205.22350	0.9
285.80283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.0
70.46091	0.9
70.55397	1.0
72.99309	1.2
87.00886	10.1
89.03986	1.6
103.00392	5.4
112.98820	12.1
117.03477	10.0
118.03796	1.0
119.05038	55.7
120.05393	1.4
120.72365	0.9
134.03754	95.3
135.04053	4.1
145.03061	1.0
149.00941	5.7
149.06079	8.6
153.39139	0.8
158.80899	0.8
163.04022	44.0
164.04355	1.2
178.02710	4.7
193.05069	100.0
194.05339	4.3
223.65756	0.9
272.30692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98615	0.5
57.02756	0.5
58.75746	0.4
59.01384	25.9
61.69417	0.5
64.85046	0.4
69.67925	1.0
69.68312	1.1
71.01381	3.4
72.99305	0.9
74.98531	0.5
75.00890	0.5
82.02610	0.5
85.02941	0.6
85.63870	0.5
87.00889	8.5
89.02440	2.5
101.02467	0.9
103.00376	6.7
109.88421	0.5
113.02459	1.3
117.03482	24.0
118.03778	0.8
119.03544	0.8
119.05032	6.2
130.99864	2.0
133.02979	0.6
133.06558	0.6
134.03757	25.4
135.04111	0.8
137.02460	0.8
137.80815	0.5
145.02968	100.0
146.03307	3.6
149.00925	4.4
149.06056	3.6
159.04488	0.6
161.06114	1.9
163.04031	8.9
178.02747	8.0
179.05711	1.0
187.04047	4.4
193.05086	34.5
194.05406	1.4
205.05121	1.9
235.06268	0.6
265.07233	2.6
325.09326	4.5
325.12955	0.8
347.33264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.3
62.97499	0.8
68.99818	2.6
70.05799	0.8
71.01383	3.2
77.03983	2.9
85.02991	1.0
87.00871	3.3
89.03961	1.2
95.05039	5.7
96.99328	1.5
98.22699	2.1
101.02438	1.4
103.00396	2.2
105.03472	18.0
106.73048	0.9
109.75218	1.0
112.98779	2.4
116.92838	1.0
117.33398	0.9
119.05038	100.0
120.05373	3.2
123.04547	11.0
132.02061	0.9
133.02969	87.3
134.03780	21.6
137.02484	1.3
146.02412	4.4
147.03275	7.5
147.06854	0.9
148.03645	6.4
149.00859	2.7
149.02322	1.2
149.06049	1.9
151.04012	3.8
161.04660	1.2
162.05655	8.2
163.04024	74.7
163.05984	8.3
164.04349	1.9
177.01949	31.0
178.02570	3.4
179.03555	2.6
179.05450	1.2
193.05072	22.1
194.05301	1.5
195.02991	2.3
197.04448	1.1
231.87241	1.1
265.05441	1.9
274.81262	1.1
325.07364	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15368	0.8
59.01373	2.3
66.74147	0.9
72.99318	1.2
74.99103	100.0
75.99415	1.4
83.04993	1.0
83.45827	1.0
93.03480	1.0
96.96021	1.0
98.22687	2.0
117.03442	1.0
121.02983	2.6
126.15993	0.8
127.96003	0.8
131.05048	1.0
133.02893	1.4
134.03659	1.1
136.99161	92.6
137.99394	1.8
149.02486	1.1
163.04021	1.0
176.34082	0.9
179.10803	1.2
191.01747	12.9
203.01674	1.9
204.02486	3.3
207.04898	3.2
219.04869	20.2
219.37877	1.1
220.05200	2.0
237.05902	7.8
251.07236	1.2
252.58090	1.1
262.06152	1.0
280.07416	4.2
295.06534	2.0
295.09760	2.6
325.03500	3.8
325.16638	1.2
325.20251	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.0
61.71006	0.4
69.47946	1.5
71.01397	3.6
85.02940	0.6
89.02441	2.0
101.02454	1.1
105.80831	0.4
109.02940	0.9
113.02448	0.9
117.03476	18.2
119.03536	0.8
119.05048	6.1
121.02948	0.4
125.02438	1.1
133.02997	0.6
133.06618	0.6
134.03740	0.6
135.04547	1.0
137.02516	1.7
145.02968	100.0
146.03310	4.3
149.02428	0.8
151.04070	0.4
159.04520	1.1
161.06116	1.6
163.02660	0.3
163.04030	8.9
164.01210	0.5
165.01926	0.4
173.06142	0.6
175.03926	0.7
177.05550	0.7
187.04004	3.5
193.05115	0.6
201.05626	1.4
205.05060	1.6
235.06133	1.0
243.06599	0.4
259.06122	0.8
265.07162	1.3
287.05627	1.2
289.07166	1.9
325.09302	5.3
326.09689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
59.01387	15.2
70.85822	0.4
71.01392	3.5
72.99326	0.5
85.02953	0.8
87.00874	3.8
89.02463	2.6
95.26933	0.4
101.02454	0.7
103.00373	2.6
113.02451	1.0
117.03477	20.8
118.03801	0.9
118.07195	0.3
119.03584	0.4
119.05038	5.3
121.18565	0.3
130.99863	1.3
133.02907	0.3
133.06615	0.8
134.03758	10.7
135.04372	0.4
137.02513	0.4
145.02968	100.0
146.03311	4.2
149.00931	3.0
149.06114	1.5
159.04488	0.6
161.06084	1.7
163.04025	8.0
164.04341	0.5
164.07176	0.5
170.63962	0.3
177.05574	0.5
178.02740	2.2
179.05675	0.5
187.04063	3.3
193.05074	15.4
194.05402	0.7
195.33257	0.3
205.05099	1.4
209.09387	0.5
235.06317	0.4
265.07178	1.6
325.09235	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	325.0931
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
50.15072	0.5
51.53929	0.6
59.01389	4.6
70.97102	1.0
74.99113	0.8
76.98676	0.7
83.01408	0.7
87.00886	3.0
93.03470	1.3
93.17190	0.6
96.96019	13.0
97.02963	1.3
98.21944	0.7
109.02961	4.8
112.98808	2.7
117.03471	3.5
119.05035	100.0
120.05376	3.8
121.02975	1.3
123.04561	3.3
125.02461	3.6
133.02934	1.2
134.03749	23.1
135.04105	0.8
137.02437	3.0
139.04001	0.7
145.02997	3.3
147.04529	0.7
149.00943	1.7
149.02467	1.5
149.06108	2.4
151.04022	2.0
160.05341	0.7
161.02461	0.8
161.06062	1.2
163.04022	74.2
164.04337	3.3
165.01933	1.0
174.03238	0.6
175.04012	1.3
178.02716	1.1
178.52792	0.6
179.03436	1.3
187.04013	1.8
188.04794	0.8
189.05579	0.8
193.05064	25.0
194.05450	2.2
203.07120	2.5
205.05092	1.8
221.08176	1.3
245.08240	3.7
272.33405	0.7
289.07205	16.4
289.76010	0.6
290.07593	1.5
298.87970	0.6
325.09637	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
56.90145	0.7
59.01385	1.2
69.12289	3.0
69.12695	1.5
93.03447	0.9
98.21849	0.8
100.66433	0.7
116.92860	1.3
117.03458	1.2
119.05037	100.0
120.05354	3.5
127.44778	0.6
145.03006	3.3
158.12613	0.7
163.04028	71.1
164.04343	3.2
187.80783	0.6
211.11638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51209	0.4
55.29670	0.4
57.48376	0.5
59.01388	1.4
60.62418	0.4
66.68146	0.4
71.01361	0.4
71.97832	0.4
93.03476	0.9
93.38679	0.4
109.09669	0.4
117.03461	0.8
119.05038	100.0
120.05396	4.0
134.03745	0.8
145.02959	0.9
162.83908	0.5
163.04025	61.0
164.04335	2.9
179.63873	0.5
185.30655	0.4
236.94586	0.5
237.49048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1085
Annotation	Moracin O
Peak:m/z	Relative Intensity
59.01370	1.9
72.90499	1.0
73.04868	1.0
80.06010	1.1
93.03460	1.6
109.02959	2.6
119.05061	1.7
121.02986	3.7
125.23053	1.1
133.02968	2.4
136.01727	1.2
137.02455	4.0
145.02991	2.7
147.03267	6.5
149.02448	1.7
162.05614	4.6
174.03351	1.3
175.03992	1.6
176.01137	4.8
183.08148	1.2
187.03967	1.9
188.04865	2.6
189.05702	1.3
193.06592	1.9
195.04521	2.1
195.08128	2.2
196.05362	1.3
209.06064	1.5
211.04137	1.5
211.07672	2.0
219.04524	1.5
221.06096	4.2
222.06801	2.2
223.04021	3.0
223.07639	3.5
223.25826	1.2
224.04802	2.0
225.05489	1.2
225.85811	1.1
237.05545	14.1
238.06195	4.1
239.07115	8.8
249.05620	6.9
250.06349	2.2
251.03441	3.4
251.07101	1.5
265.05148	3.7
266.05807	3.2
267.06638	35.6
268.07034	1.9
276.04279	1.2
277.05148	3.1
278.05786	1.8
279.06689	3.0
281.08194	3.4
289.18039	2.7
294.08966	2.4
295.06137	95.3
296.06540	8.3
297.27463	1.0
307.19360	1.6
309.07748	2.8
310.08511	74.3
311.08862	6.5
325.10828	100.0
325.20001	3.3
326.11142	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1448
Annotation	Trigonostemone
Peak:m/z	Relative Intensity
59.01369	1.2
61.98807	1.0
64.88757	0.7
69.97786	1.1
69.98103	1.4
98.36272	0.7
104.02676	2.3
115.61773	0.9
118.04250	7.5
128.96873	0.7
132.69453	0.7
133.02972	1.4
134.03702	1.7
139.09683	0.7
144.05792	0.9
145.02968	8.9
148.01671	2.0
157.06587	1.3
159.04558	0.9
161.02441	2.7
162.03278	7.8
162.05576	2.5
173.02429	1.3
173.06105	1.5
174.05606	1.7
176.01051	1.4
177.01892	1.7
181.32475	0.8
183.01251	1.6
185.06104	2.1
189.01944	17.4
190.02737	25.2
191.03093	1.0
198.67720	0.7
201.01942	1.6
201.05600	1.8
202.05103	10.6
203.03531	8.9
203.05887	3.1
204.04219	3.8
211.07658	1.2
214.05180	2.8
215.05899	2.0
216.04292	2.7
222.01633	5.6
228.04399	0.9
229.05054	10.4
230.05704	0.9
236.03241	3.1
243.06659	3.2
244.07423	3.4
251.10870	3.5
254.05879	1.5
255.06715	3.9
256.09863	1.5
265.12421	4.1
267.06665	2.5
269.08350	1.5
279.06537	1.0
281.08246	1.3
293.08267	1.4
293.11664	1.1
295.09769	20.0
296.10062	2.0
309.11398	5.7
309.87183	0.8
310.12128	42.6
311.12494	4.4
325.14468	100.0
326.14615	6.4
326.17682	17.1
340.28671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.91829	1.0
66.26663	0.9
69.46013	1.5
69.46429	2.9
71.01380	4.9
73.02953	2.5
85.02962	3.3
87.00890	2.2
89.02444	1.4
101.02473	5.5
105.03486	1.8
113.02460	1.8
119.03506	1.4
119.05042	6.5
133.02992	6.8
134.03743	7.3
134.04750	2.6
161.04535	5.8
163.04008	4.5
177.01958	2.3
193.05074	8.7
265.12955	8.7
319.82462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	84.4
99.92599	27.0
99.93232	1.0
116.92828	2.0
123.00629	3.4
124.61549	1.5
139.11261	9.3
159.01489	4.3
159.88150	1.5
171.10225	8.3
183.01135	3.0
188.57823	1.7
243.19653	100.0
244.19992	5.7
251.59337	1.4
275.20117	3.2
293.21359	2.8
300.13803	2.8
307.22787	5.9
325.19412	10.8
325.23816	21.3
326.11951	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40337	1.3
52.46381	1.4
55.81543	1.5
56.90220	1.4
57.03454	2.0
58.00598	6.5
58.71472	1.4
59.01387	2.3
61.72026	1.4
64.42835	1.5
66.47568	1.5
66.67838	1.5
66.70730	1.4
69.03486	1.9
70.26664	3.2
81.03442	1.8
84.02170	2.0
92.44269	1.4
96.41180	1.6
97.06590	3.6
113.06092	5.0
115.07658	9.1
125.09747	1.9
127.07644	9.6
151.11343	15.0
153.12883	15.3
155.14380	2.6
165.12854	3.0
169.12334	1.8
171.10301	1.9
181.12308	2.6
183.13908	3.8
197.11841	21.1
199.13417	31.7
200.13857	1.7
208.40494	1.6
209.11850	5.6
211.13330	1.9
215.12872	19.3
221.11823	1.5
227.12906	100.0
228.13231	5.0
229.14462	58.2
230.14769	2.5
245.19063	1.8
263.20206	2.3
269.21271	2.1
281.21127	1.8
289.18161	4.7
297.20715	5.3
307.19202	18.2
325.20270	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82286	1.2
52.75657	0.9
57.03436	1.2
59.01380	3.1
69.28376	4.5
71.01385	3.9
73.02987	1.3
75.27461	1.1
80.02691	2.9
81.03473	2.4
83.05018	7.2
84.02177	4.9
95.05037	1.1
97.06611	3.9
98.21923	2.6
99.08161	3.6
109.06602	1.3
111.08134	1.3
113.06033	1.0
115.07662	1.6
116.75552	1.1
121.06441	1.1
121.25253	1.1
125.06046	1.9
125.09728	3.3
127.07672	16.1
135.08203	1.6
139.07668	3.7
155.10783	2.6
163.11320	6.3
165.12833	4.0
178.10027	1.5
181.12312	1.6
185.11865	15.4
191.10789	2.3
197.11836	17.2
209.11850	100.0
210.12236	5.3
227.12950	3.4
236.10442	1.2
238.12054	6.7
245.19179	1.4
253.18108	1.4
256.13190	3.1
279.19757	1.3
289.18100	6.7
307.19165	74.1
308.19507	6.1
325.20251	34.1
326.20346	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03443	5.7
59.01380	4.6
59.20550	1.5
65.03993	1.9
68.42560	1.5
69.03455	2.8
69.13777	10.3
71.01396	4.2
71.05032	7.9
75.68102	1.5
80.02695	1.8
81.03455	2.4
82.01646	1.5
83.05032	7.2
84.02180	5.0
91.24732	1.5
95.05026	6.3
97.02956	1.7
97.06016	2.2
97.06599	12.3
99.04526	2.2
99.08188	6.1
106.04243	1.8
109.06615	4.6
111.04533	3.3
112.05299	2.6
115.07710	3.1
123.08148	4.8
124.25073	1.8
125.09724	10.6
127.07657	16.6
127.11235	1.6
135.08208	6.0
137.09753	2.6
139.07602	4.0
141.12831	1.8
153.09232	17.5
155.10803	4.1
163.11299	4.1
165.12851	2.7
171.10287	27.6
178.09943	4.4
185.11830	20.7
191.14377	3.5
195.13948	2.8
197.11844	16.2
201.11380	6.7
205.15878	2.3
207.10162	2.1
209.11838	71.7
210.12209	3.1
211.13420	4.5
237.14978	19.9
238.12119	5.6
245.19066	6.0
249.14896	4.7
256.13226	4.8
263.20190	1.6
267.15909	2.1
276.96771	1.5
289.18073	24.3
290.18594	1.7
297.20609	2.2
307.19156	100.0
308.19449	8.1
325.20218	70.0
326.20517	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	325.2024
Annotation	2,3-Dinor-11b-PGF2a
Peak:m/z	Relative Intensity
56.56729	0.8
57.03451	7.2
59.01376	4.2
69.03452	2.1
69.09219	2.1
69.09626	3.8
70.65231	0.8
71.01395	1.3
83.01432	1.6
83.05042	1.4
84.02168	1.5
85.02953	25.8
97.02951	5.7
97.06569	4.3
97.91690	0.8
98.21778	1.7
109.06612	1.5
111.04524	1.2
114.03217	1.3
120.84303	0.9
123.08182	2.2
137.02466	1.2
137.09714	0.9
141.09233	37.2
142.09578	1.2
144.45682	0.8
147.03284	0.8
147.47478	0.8
157.26234	0.8
162.05630	1.2
163.04063	0.8
165.12880	2.5
169.08752	2.5
175.11263	1.0
181.12386	2.1
191.10846	1.6
193.12462	0.9
197.11844	1.9
209.11864	8.3
219.10231	0.8
227.12878	3.4
237.15025	1.8
243.06586	1.7
289.18143	2.8
290.18683	0.9
294.73853	0.9
295.06311	1.6
307.19061	1.3
310.08618	2.3
316.83722	1.0
325.20221	100.0
326.20563	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	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.01764	0.6
67.57408	0.9
68.05083	0.7
79.95756	1.8
87.48944	0.8
95.54419	0.7
98.21864	1.2
110.83428	0.8
119.05051	1.1
131.79393	0.8
133.06543	1.5
149.09732	58.8
150.10065	2.3
163.11296	79.2
164.11629	4.3
183.01218	55.8
184.01964	6.3
197.02777	2.4
198.03423	1.2
216.00938	1.1
224.14653	0.7
300.17130	0.9
325.18353	100.0
325.21771	67.4
326.18683	9.6
326.22153	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.12188	0.4
52.70082	0.4
54.29723	0.4
67.49751	0.4
71.32074	0.6
95.32666	0.4
100.13374	0.4
133.06584	0.5
149.09732	90.0
150.10083	4.1
163.11298	100.0
164.11649	4.3
183.01227	5.1
184.01971	0.7
196.81860	0.4
242.76924	0.5
325.18451	8.0
325.21741	88.4
326.18817	0.9
326.22095	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	325.275
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
60.05198	1.0
61.98814	2.2
79.95751	1.0
86.84735	1.0
94.83466	0.9
100.85047	0.9
101.95535	0.9
153.12852	2.4
169.15927	1.2
183.01208	25.3
184.01886	3.0
193.91075	1.1
197.02771	1.4
325.18497	50.7
325.27472	100.0
326.18817	5.3
326.27750	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	326.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33007	0.9
59.01386	9.5
69.23448	3.8
69.23848	2.1
78.62360	0.9
78.95880	1.3
89.43462	0.9
96.96025	18.9
98.22709	1.4
131.97701	0.9
136.94049	4.4
138.93727	1.8
140.02036	2.4
141.99948	0.9
152.91766	2.1
178.95020	4.2
184.01030	100.0
185.01166	6.9
201.02533	3.8
221.49998	0.8
227.87117	0.9
247.87166	3.1
255.86014	2.6
288.83154	2.2
326.86633	1.9
330.84390	1.8
336.87964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78358	1.0
58.50922	1.1
71.44968	1.2
77.03952	2.1
95.05021	4.3
105.03468	11.1
109.02971	2.9
112.16309	1.1
117.03486	1.6
120.04547	2.3
121.02947	3.1
123.04528	1.9
132.02164	4.0
133.02966	100.0
134.03729	3.0
134.06088	1.9
135.04539	23.1
137.02470	1.6
143.05032	1.5
146.02521	3.0
147.03270	2.5
148.04073	14.5
151.04048	1.5
159.04628	2.4
162.02008	1.4
163.04033	2.5
167.05029	1.8
167.08630	6.5
169.06575	2.1
177.01941	33.7
178.02687	5.5
178.05113	1.9
179.03520	14.3
193.06638	6.0
195.04520	2.6
195.08136	5.1
197.06155	1.8
209.06100	11.2
210.06500	1.2
211.04045	1.2
211.07661	12.6
212.08025	1.4
213.05544	1.7
216.88705	1.2
220.05251	1.6
221.06070	5.9
223.04012	5.3
224.04709	3.1
235.04118	1.2
237.05573	28.3
238.05957	3.1
239.03564	2.3
239.07162	15.5
240.04243	5.1
251.03465	1.6
255.06581	3.1
264.06769	1.4
265.05066	5.0
266.02222	2.4
267.02948	9.3
268.03784	20.3
269.04312	2.5
281.04504	3.3
282.07681	3.6
283.06113	19.7
291.33536	1.2
294.04205	7.6
309.03976	3.9
325.21246	2.1
326.06677	10.3
326.16376	1.5
344.75635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22346	4.4
59.01416	4.6
64.77622	4.5
65.38195	4.1
70.15665	7.2
70.15996	8.7
87.66730	4.3
118.03013	17.7
131.03778	15.7
132.04599	20.3
146.02477	94.6
148.04047	9.7
162.05621	100.0
171.10300	17.0
172.10588	5.0
184.01059	4.6
189.03149	5.6
211.13440	5.8
223.06303	8.7
228.10310	5.0
229.14342	5.5
234.05659	14.1
294.07776	66.2
295.10986	11.8
327.13467	15.9
327.21823	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1765
Annotation	Spirasine XII
Peak:m/z	Relative Intensity
61.98836	3.3
70.70236	3.3
83.99314	1.9
99.96294	2.2
111.51891	1.9
121.03010	2.2
131.53738	2.0
143.03792	3.6
156.04579	3.1
160.84196	5.0
162.05623	16.2
162.91258	3.0
168.91420	4.4
174.05623	9.0
175.56395	1.9
178.92192	2.0
188.03505	3.6
189.04190	3.4
202.05109	59.3
203.05893	15.9
204.06602	2.2
214.05142	13.8
215.05917	14.4
325.85919	2.6
326.17624	100.0
327.17932	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	327.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20045	2.6
55.80017	2.7
57.03439	2.9
57.72190	2.9
57.88651	2.7
59.01377	18.1
69.30419	10.6
69.30812	7.4
71.01379	6.4
74.01498	3.2
83.01382	6.5
89.02435	6.1
93.03442	3.2
95.05038	6.4
97.02962	9.0
98.51576	3.0
108.02170	3.4
109.02959	31.1
113.02468	3.5
114.05566	5.5
119.05062	15.6
120.05407	9.0
121.02971	5.9
123.04526	21.3
125.02473	23.2
131.16370	3.4
133.02943	8.1
135.04517	10.0
137.02440	31.2
139.04001	5.3
145.02946	6.8
147.03625	2.8
147.04546	25.4
148.01633	7.5
149.02470	9.3
150.03181	8.0
151.04005	13.7
153.27791	3.2
161.02444	12.6
161.06064	8.1
163.04005	12.4
164.01126	6.0
164.04324	5.0
165.01910	10.7
165.04140	11.7
165.05574	20.2
175.04018	5.1
176.01140	4.8
177.01929	12.5
179.03467	11.5
181.49667	3.1
187.03940	8.3
202.99925	3.7
203.07162	13.2
204.00653	7.0
205.05096	9.1
221.08080	3.9
245.08119	19.9
289.07175	100.0
290.07407	7.4
291.07767	7.4
318.81198	3.2
327.01910	4.9
327.05460	6.8
327.10837	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	327.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
71.01379	1.1
73.02932	0.8
75.00880	5.5
87.00880	19.9
88.01165	0.5
89.02460	0.7
93.23129	0.5
99.00895	4.9
100.52486	0.4
101.02448	1.4
105.01942	21.5
107.05013	0.8
117.01942	1.2
119.03531	0.6
129.02025	0.6
133.02925	0.5
134.03790	3.2
135.04535	32.7
136.04855	1.6
147.03017	4.3
151.74286	0.6
165.04059	100.0
166.04384	2.5
179.03510	19.6
180.03787	0.6
255.02599	0.5
327.07254	1.7
346.12906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97686	0.4
59.01390	8.4
69.42193	2.0
71.01395	2.3
73.02958	0.8
74.53133	0.5
75.00880	3.9
78.30413	0.5
82.31712	0.5
85.02966	0.6
87.00887	21.0
89.02472	1.1
93.03460	3.3
94.12532	0.5
99.00900	6.4
101.02451	1.2
102.91951	0.5
105.01946	26.2
107.05041	0.7
117.01958	0.9
121.06590	3.2
133.03012	0.9
134.03798	2.6
135.04549	29.1
136.04860	1.1
147.02995	5.1
161.02502	0.7
165.04056	100.0
165.05566	49.4
166.04355	2.4
166.05907	2.0
176.76071	0.5
179.03526	17.1
180.03896	0.7
286.77048	0.5
302.42297	0.7
327.07126	1.5
327.10812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55169	0.5
52.66655	0.5
53.56804	0.6
55.75905	0.4
59.01386	19.7
71.01385	3.0
73.02965	0.8
75.00882	1.6
84.87237	0.4
85.02979	1.0
87.00893	6.4
89.02424	2.5
91.05558	0.5
93.03461	6.7
93.73107	0.5
99.00877	1.7
101.02439	2.0
105.01940	7.7
107.05013	1.0
108.02168	0.8
113.02441	1.6
114.05614	1.8
117.03477	0.6
119.05045	2.3
121.02988	0.6
121.06602	7.1
125.02466	0.6
128.98288	0.6
133.02968	0.9
133.15404	0.5
134.03743	1.8
135.04529	9.2
137.02470	0.6
142.08784	0.5
147.03123	1.0
147.04546	8.3
149.02359	0.6
161.02487	0.9
162.03276	0.8
163.04027	0.8
164.01147	0.7
165.04083	28.7
165.05577	100.0
166.02823	1.1
166.04587	0.9
166.05888	3.7
177.01981	0.8
178.02608	0.7
179.03499	5.7
190.02730	0.8
192.00667	10.0
193.01454	4.7
193.05080	0.6
194.02190	3.6
205.01428	1.7
206.02162	1.7
207.03020	4.9
208.03493	0.5
221.00871	0.9
222.01669	1.2
234.01692	4.8
237.04109	1.3
249.04121	2.1
297.04068	0.9
312.04904	4.0
327.07227	4.1
327.10681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80822	0.6
55.01870	1.0
59.01385	48.4
60.01725	0.7
61.56469	0.6
70.48061	1.2
71.01387	21.3
72.99310	2.3
73.02943	0.9
83.01404	1.6
85.02957	4.0
87.00878	0.9
89.02445	18.5
95.01395	2.0
96.96065	0.7
101.02444	11.8
103.05586	1.7
108.02216	0.7
109.02991	1.1
113.02450	8.1
119.03522	8.5
119.05015	3.8
120.01266	0.8
121.02917	1.1
121.06701	0.6
123.04540	0.8
125.89254	0.7
133.02979	0.8
135.04524	0.8
137.02499	1.3
143.03539	1.1
147.04536	100.0
148.04880	5.3
165.01941	1.0
165.04198	1.0
165.05566	15.6
177.01941	0.8
179.05597	1.2
247.20456	0.7
327.10892	59.3
328.11298	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	327.1088
Annotation	Paeonoside
Peak:m/z	Relative Intensity
57.03436	0.6
59.01383	24.5
71.01377	6.2
71.21262	0.6
73.02904	0.6
75.00875	1.1
85.02950	1.2
87.00874	2.5
89.02441	3.7
89.42620	0.6
93.03465	6.6
95.01377	0.9
101.02467	4.3
105.01959	3.1
113.02425	2.3
114.05599	0.9
119.03504	2.2
119.05039	3.7
120.02365	0.6
120.05369	1.9
121.05754	0.7
121.06599	7.1
133.02939	0.9
135.04524	3.0
147.04541	43.3
148.04877	1.8
161.04514	0.8
163.03984	1.5
165.04079	17.3
165.05553	100.0
166.05952	4.1
179.03461	1.9
199.10901	0.6
203.85818	0.7
274.12241	0.6
327.10809	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	327.1088
Annotation	Androsin
Peak:m/z	Relative Intensity
55.01870	0.8
55.07052	0.5
55.38207	0.6
57.03439	1.0
58.00604	0.7
59.01382	43.5
62.45255	0.6
65.55531	0.6
71.01387	19.9
71.41663	0.6
72.99314	2.4
80.61725	0.6
83.01411	1.5
85.02973	4.4
87.00877	1.0
89.02453	18.2
93.03534	0.6
95.01405	1.7
96.96004	1.0
101.02447	12.6
103.05548	1.2
107.04989	0.7
108.02158	1.1
109.02950	1.5
113.02452	7.0
119.03526	9.6
119.04988	3.3
121.02948	1.2
123.04581	0.9
125.02477	0.9
126.66567	0.6
131.03574	0.8
135.04524	0.7
137.02417	0.8
145.02791	0.6
147.04535	100.0
148.04878	3.8
149.02473	1.0
152.01178	0.7
161.04619	0.9
161.06047	0.8
165.04228	1.1
165.05568	14.2
166.05852	1.0
177.01752	1.0
179.03639	0.7
179.05609	0.8
207.06781	0.7
220.20779	0.6
243.06578	1.2
265.86429	0.6
297.03967	0.7
327.10867	53.1
328.11292	4.1
341.98572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.80822	0.6
55.01870	1.0
59.01385	48.4
60.01725	0.7
61.56469	0.6
70.48061	1.2
71.01387	21.3
72.99310	2.3
73.02943	0.9
83.01404	1.6
85.02957	4.0
87.00878	0.9
89.02445	18.5
95.01395	2.0
96.96065	0.7
101.02444	11.8
103.05586	1.7
108.02216	0.7
109.02991	1.1
113.02450	8.1
119.03522	8.5
119.05015	3.8
120.01266	0.8
121.02917	1.1
121.06701	0.6
123.04540	0.8
125.89254	0.7
133.02979	0.8
135.04524	0.8
137.02499	1.3
143.03539	1.1
147.04536	100.0
148.04880	5.3
165.01941	1.0
165.04198	1.0
165.05566	15.6
177.01941	0.8
179.05597	1.2
247.20456	0.7
327.10892	59.3
328.11298	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	327.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26961	0.5
63.19571	0.5
70.72882	1.0
81.07595	0.6
88.23747	0.4
99.04510	1.7
118.04262	1.2
121.06592	2.0
128.75952	0.5
130.04245	1.2
132.02176	1.0
134.22580	0.5
135.08177	0.7
142.20958	0.5
145.02956	4.6
146.03764	1.6
147.04448	0.6
161.02356	0.7
162.03198	1.4
167.50070	0.5
168.91405	0.5
173.02431	2.5
174.03230	26.7
175.03918	2.1
181.53551	0.5
183.08160	0.6
187.04015	1.2
190.02728	4.5
197.06062	1.1
199.07652	1.2
201.02058	0.7
203.03485	0.9
206.02235	5.6
211.07671	2.6
213.05586	1.7
215.07095	2.5
222.01668	1.0
227.07214	1.7
228.07889	0.9
229.05182	0.8
230.05772	0.7
243.06596	4.9
251.07094	2.4
255.06712	1.9
256.07440	2.2
257.08246	0.8
259.06036	0.7
267.06775	0.6
269.08289	0.7
283.13416	31.8
284.13721	1.9
309.11334	5.6
327.12396	100.0
327.21704	2.9
328.00565	0.6
328.09088	0.7
328.12802	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	327.124
Annotation	Clausenidin
Peak:m/z	Relative Intensity
57.03443	0.4
57.54974	0.4
60.87518	0.4
60.93097	0.4
69.66112	1.8
76.51872	0.4
79.05538	0.6
83.05046	0.5
91.05522	0.4
91.34075	0.4
91.48660	0.4
97.21765	0.4
98.21895	0.5
104.02695	0.7
107.05062	0.9
118.04259	1.3
121.06631	0.6
132.02179	1.4
133.02956	0.7
145.02960	2.0
148.01706	0.7
155.08681	1.5
156.05881	0.6
157.06599	0.5
158.03799	0.7
161.02534	0.5
162.03226	1.6
170.07256	0.5
171.08160	1.8
173.06100	0.8
174.03236	0.7
181.84230	0.5
183.04628	0.7
183.08273	0.5
185.06007	0.6
185.09746	0.7
185.11588	0.4
187.07669	1.1
189.01991	1.7
190.02719	6.0
197.06133	2.2
197.11812	0.6
199.07697	5.2
201.01949	1.7
201.05591	0.7
201.11292	0.5
202.02736	0.5
203.03517	2.5
211.07614	4.5
212.08420	1.4
213.05626	0.7
213.09192	0.9
215.07150	2.0
216.04254	1.7
222.01744	1.6
225.05605	0.8
229.05119	1.7
230.05887	1.3
239.07172	1.2
241.04933	0.5
243.06622	38.8
244.07352	1.3
245.04616	1.7
255.06622	4.6
256.07333	3.3
257.08203	5.9
258.05234	1.1
259.06143	0.8
281.08130	0.7
283.13422	1.3
297.04025	0.7
299.09433	0.5
305.42526	0.5
311.12939	3.2
327.12390	100.0
327.21671	3.1
328.13052	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	327.1239
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
52.10283	0.4
59.01374	0.5
70.53485	0.4
75.00845	0.4
81.03451	1.1
89.03979	2.3
92.66555	0.4
98.22638	1.4
103.56196	0.5
104.02673	0.9
105.03480	3.6
107.01418	0.6
118.04270	2.0
123.64745	0.4
131.05083	0.8
132.02188	1.8
132.50998	0.6
133.02965	7.4
133.06602	0.8
138.94456	0.4
145.02943	1.2
148.01659	1.1
149.02414	1.3
157.06561	0.8
159.04417	0.5
161.02533	0.5
162.03285	2.1
171.10231	0.6
173.09726	1.5
175.04013	0.5
176.01199	1.2
177.01950	15.1
179.08649	0.9
183.04480	0.7
188.04701	0.5
189.01913	1.3
190.02731	7.5
195.08163	0.9
197.06075	0.9
198.06726	0.4
199.03929	0.5
199.13298	0.6
203.03549	4.6
207.08241	0.6
209.06107	1.7
211.04070	0.5
211.07738	0.6
213.01961	2.6
216.04364	0.6
222.01669	1.4
223.07651	2.4
225.05513	1.1
225.09203	4.1
227.03552	1.6
228.04349	2.5
237.12744	0.5
239.07263	0.7
243.06610	4.2
249.09225	0.9
251.07184	0.7
253.05106	2.7
253.08716	0.6
254.05792	1.0
255.06644	1.7
265.12354	1.0
267.06647	24.5
268.07077	2.4
269.08212	22.3
270.08588	1.5
283.13254	1.9
284.03302	0.6
291.19629	0.5
293.08273	3.2
294.08722	0.5
295.09763	0.6
297.04269	0.9
297.07690	2.1
307.09821	1.1
309.11334	7.6
310.12048	0.5
327.12399	100.0
327.21121	4.2
328.12738	8.2
331.66962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48622	0.9
72.26598	0.4
83.05032	4.8
104.02711	0.5
105.03498	0.7
107.05071	0.5
118.04256	9.8
119.04511	0.5
132.02179	3.8
134.03728	2.0
137.02499	0.4
137.49425	0.4
145.03000	1.0
155.08638	0.4
161.02423	0.9
162.03238	7.3
171.04736	0.6
171.08032	0.5
171.92601	0.4
177.01953	0.8
185.06064	3.1
189.01920	2.5
190.02725	26.2
191.03159	1.5
197.06036	0.9
199.07648	7.9
200.08047	0.6
201.01942	0.7
202.06425	0.6
202.59854	0.4
203.03546	1.8
211.07655	0.6
213.05676	0.8
222.01782	2.9
225.05511	0.7
227.07124	1.2
229.05060	8.4
230.05835	6.9
231.06543	1.7
241.05125	0.7
243.06612	10.0
244.07230	1.9
256.07211	0.4
257.08289	1.3
269.08173	0.8
283.13599	0.6
327.12393	100.0
328.12744	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	327.1239
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
58.48211	0.2
59.01363	0.3
70.80698	0.3
79.05553	0.3
82.15104	0.3
83.05047	0.5
89.03972	0.3
103.18182	0.2
104.02661	0.3
106.04250	0.4
107.05042	0.6
118.04267	4.0
121.06567	0.6
130.04185	0.5
132.02197	1.4
134.03745	1.1
135.31006	0.3
145.02962	0.8
148.01683	0.4
155.08662	1.0
156.05910	0.3
158.03790	0.3
161.02475	0.5
162.03226	3.0
169.06613	0.3
170.07281	0.3
171.08160	1.2
176.01205	0.4
183.04565	0.4
183.08226	0.4
185.06116	0.8
187.07732	0.6
189.01952	3.2
190.02730	12.9
191.03146	0.9
196.05299	0.4
197.06091	2.4
198.06750	0.3
199.04100	0.3
199.07648	2.8
200.08228	0.3
201.01964	3.9
201.05641	0.4
202.02528	0.4
203.03485	2.2
210.06877	0.3
211.04089	0.3
211.07626	4.4
212.08423	1.6
212.67284	0.3
213.05652	0.3
213.09100	0.5
215.07036	1.3
216.04201	0.6
222.01700	3.0
224.05051	0.3
225.05609	0.9
227.07161	1.1
228.04207	0.4
228.07835	0.5
229.05081	2.0
229.14499	0.7
230.05786	1.9
231.06557	0.9
239.07153	0.9
241.05093	0.5
243.06624	21.6
244.07201	5.3
247.80196	0.3
255.06645	3.8
256.07413	2.3
257.08148	1.9
259.06174	1.1
259.09778	5.1
283.13489	0.4
299.12729	0.3
309.20715	0.6
312.10284	0.5
312.13708	2.0
313.11002	0.3
327.12387	100.0
327.15677	4.3
328.12796	10.6
328.16724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72573	0.2
63.38256	0.2
69.10515	1.1
69.10919	0.3
71.01408	0.2
77.03970	1.3
80.72804	0.2
89.15641	0.2
93.03476	2.3
95.01412	1.4
95.05033	2.0
105.03477	0.6
107.01430	0.2
119.04999	0.3
121.02974	17.5
122.03287	0.5
123.04560	1.0
129.03470	0.4
132.02184	0.9
145.06580	0.4
146.03812	1.2
146.86621	0.2
147.04541	2.9
148.01697	0.5
149.02460	100.0
150.02789	3.4
152.00247	0.2
153.05624	0.4
156.03532	0.2
161.06197	0.2
163.04068	0.4
164.04814	15.9
165.05588	5.5
174.03645	0.2
179.07205	1.1
192.12260	0.2
203.74919	0.2
234.06903	0.4
235.07663	0.3
243.06596	0.3
251.07147	0.7
252.08107	0.3
262.25116	0.2
263.07001	0.4
264.07950	0.5
265.08817	0.4
267.06622	0.4
268.07495	1.6
269.08191	1.8
270.08487	0.3
279.06601	0.4
280.07413	1.3
281.08322	1.2
283.09833	2.5
284.10529	0.4
295.09848	0.5
297.07751	2.0
312.10074	31.7
313.10483	2.7
327.12418	30.5
327.21436	2.0
328.12775	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	327.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28337	0.7
62.08087	0.7
77.03981	1.1
93.03481	3.2
93.84415	1.0
95.01394	2.0
95.05051	2.8
109.02958	1.7
109.78509	0.7
111.42267	0.8
114.40213	0.7
119.05016	1.1
121.02968	25.1
123.04478	0.8
131.05040	0.8
131.59900	0.8
133.02998	1.0
135.04524	1.5
146.03767	1.3
147.04515	6.5
149.02457	100.0
150.02766	3.9
157.89082	0.7
164.04805	15.6
165.05579	4.8
175.03984	7.8
179.07161	0.7
187.68559	0.7
190.06364	2.8
197.06120	1.2
209.06128	1.0
222.05301	1.7
223.07704	2.2
225.05551	1.3
225.09079	1.0
233.05994	2.4
237.05644	0.9
239.07166	1.7
241.05026	0.9
241.08806	1.4
243.61765	0.7
249.05675	1.3
249.11156	0.8
250.06250	1.6
251.07181	5.5
253.08736	1.5
261.05649	2.5
263.07126	1.2
267.06641	3.5
268.07410	3.1
269.08246	7.3
278.09286	0.8
279.06638	7.1
280.07333	2.4
281.08252	1.5
282.08945	1.4
283.09753	5.1
284.10287	1.3
294.08939	4.2
295.09546	1.4
296.06967	0.8
297.04364	1.7
297.07697	33.5
297.11237	2.6
298.07999	3.1
309.11359	8.8
310.11722	1.2
311.09344	1.1
312.10037	55.5
313.10403	4.8
327.12378	74.7
327.21469	5.9
328.12677	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	327.1241
Annotation	STEMOFURAN R
Peak:m/z	Relative Intensity
73.14157	0.3
77.03977	1.4
81.67993	0.2
93.03455	2.2
95.01405	1.5
95.05043	1.8
105.03486	0.8
109.03020	0.3
121.02968	14.9
122.03302	0.8
123.04546	1.4
129.03473	0.5
132.02167	0.9
133.02946	0.3
135.04541	0.5
145.03014	0.6
145.06598	0.4
146.03699	1.4
147.04538	3.1
148.01704	0.4
149.02457	100.0
150.02785	3.9
153.05598	0.7
161.06113	0.5
163.03952	0.5
164.04810	16.9
165.05592	5.4
179.07106	1.4
226.20815	0.3
235.07733	0.4
239.07039	0.7
251.07132	1.1
253.05270	0.3
253.08693	0.4
263.07260	0.4
264.07886	0.8
265.08850	0.3
267.06647	1.5
268.07315	1.6
269.08163	1.7
279.06662	0.4
280.07416	2.4
281.08151	1.1
282.09085	0.4
283.09790	3.5
284.10349	1.0
295.09671	0.7
297.04440	0.4
297.07700	1.6
297.10776	0.3
311.09259	0.4
312.10052	37.0
313.10391	2.7
327.12396	35.7
327.20728	0.3
328.12805	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1603
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
59.01384	0.7
61.01905	0.7
66.23460	0.7
69.13544	3.1
69.13950	1.4
79.64132	0.7
82.04239	0.6
98.21920	1.7
104.02629	1.4
107.05031	1.9
115.74532	0.6
117.03403	0.9
143.08644	0.9
143.35818	0.8
145.02867	1.1
148.01711	1.5
155.08621	2.9
156.05727	0.7
161.02420	0.9
165.62543	0.6
171.08162	4.7
181.06528	1.5
187.07600	3.8
189.01912	2.8
190.02734	2.3
194.77412	0.7
197.06075	1.0
199.07651	12.9
200.07976	0.8
201.01959	1.4
201.05574	1.7
215.07162	3.2
222.01540	0.9
229.05031	0.9
240.15179	1.2
243.06618	100.0
244.07057	7.9
251.52609	0.7
297.04059	1.3
302.02100	0.7
312.13675	32.3
313.14069	1.9
327.16028	80.9
328.16354	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	327.1604
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
61.98828	0.7
62.36908	0.3
65.02562	0.3
79.05532	0.6
81.03471	0.6
92.92833	0.3
104.02692	1.3
104.78678	0.3
107.05029	3.3
118.04279	0.4
119.94711	0.6
133.02957	0.6
143.08669	0.4
145.02957	1.1
148.01637	1.4
155.08688	2.4
156.05789	1.1
161.02403	1.6
162.03210	0.7
171.08159	4.8
172.08414	0.4
173.06097	0.4
181.06572	1.4
183.04538	0.6
187.07681	3.9
189.01956	2.4
190.02689	2.6
197.06154	1.1
198.06812	0.8
199.07654	11.7
200.08055	0.6
201.01958	1.2
201.05554	0.9
215.07201	3.8
222.01637	0.8
225.05513	1.2
229.05006	0.8
240.15146	1.1
243.06624	100.0
244.07050	8.3
256.14752	0.4
257.08438	0.5
258.08884	0.9
280.83780	0.4
284.14157	0.5
297.11246	0.4
311.12823	0.6
312.13690	36.4
313.14001	3.1
327.16003	77.6
328.12561	0.5
328.16388	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	327.1603
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
59.49168	0.4
60.16263	0.4
61.34357	0.4
61.98823	0.4
69.80889	0.8
69.81278	0.8
79.05524	0.6
82.90248	0.5
88.04055	0.9
91.64547	0.4
98.22595	0.6
104.02679	1.1
107.05042	2.0
145.02980	1.0
146.06233	0.4
148.01715	0.7
155.08716	2.5
156.05818	0.6
161.02441	0.8
162.03235	0.5
171.08180	4.8
181.06616	1.3
185.00955	0.6
187.07680	3.4
189.01999	2.2
190.02733	3.4
197.06102	0.8
198.06830	1.0
199.07654	9.5
200.04793	0.7
200.08089	0.6
201.01794	0.9
201.05624	0.8
215.07143	3.7
216.07724	0.5
222.01573	0.8
222.95378	0.5
225.05519	0.9
229.05078	1.0
240.15205	1.1
243.06630	100.0
244.07042	7.8
258.09003	0.9
311.12857	0.8
312.13702	39.5
313.14120	3.1
327.16022	94.3
327.28894	1.2
328.16385	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	327.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23185	0.7
51.25571	0.8
51.76460	0.6
57.03452	14.4
58.00595	2.1
59.01385	3.3
59.05015	0.8
69.03461	12.7
69.77685	2.8
71.01399	3.9
75.07532	0.8
79.11292	0.8
83.01411	4.1
85.02962	11.4
87.04530	14.5
95.01381	1.4
98.22639	0.8
113.02464	28.8
114.02805	1.1
131.03520	100.0
132.03873	3.1
138.60391	0.7
159.60910	0.7
167.82593	0.8
171.10211	1.7
178.18547	0.8
181.72144	0.7
183.13982	5.6
195.13905	5.2
213.14987	56.4
214.15318	3.3
327.18112	5.9
327.21835	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.5
69.03467	2.8
70.94335	1.0
71.01372	0.6
76.05904	0.7
83.05035	1.1
85.02956	13.5
95.05042	0.8
97.02947	1.5
97.06573	3.3
103.01472	0.8
123.08128	0.7
125.09747	1.6
127.11298	2.2
137.09735	3.6
155.10831	1.1
161.13889	0.6
165.12866	0.7
167.14384	0.5
171.10275	28.4
172.10602	2.0
183.13957	3.7
185.11832	1.0
193.12354	1.7
195.14049	0.7
201.11281	1.0
209.11847	1.9
211.11395	1.2
211.13408	18.8
211.15366	1.2
212.13600	1.2
221.11845	2.1
229.14453	12.7
230.14838	1.2
239.12941	2.1
283.42877	0.6
291.19705	3.3
309.20789	1.6
327.21777	100.0
328.22141	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04009	0.7
51.25367	0.7
58.00602	2.5
59.01380	3.9
69.03450	1.2
69.65884	0.6
70.73766	1.4
97.06578	2.3
106.59163	0.7
111.08165	10.3
119.08678	0.8
127.07697	1.2
137.09724	3.9
140.33852	0.9
146.17107	0.8
153.09224	1.0
153.12909	1.1
169.12358	5.7
171.10281	14.2
181.12367	2.5
193.12357	1.0
197.11845	49.3
198.12155	2.7
199.13388	9.5
201.11375	4.4
211.13409	3.5
227.12958	1.3
229.14432	1.1
255.11893	1.9
291.19763	4.1
309.20645	4.7
327.21799	100.0
328.22131	9.8
336.82642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.25232	0.5
58.00593	1.5
58.29218	0.4
59.01387	4.8
69.03445	0.7
71.01369	1.0
83.04996	1.0
85.02971	0.9
97.06599	2.5
106.87631	0.6
109.06626	0.8
111.08177	7.1
127.07661	0.8
137.09732	1.6
149.84918	0.5
153.12901	1.1
169.12360	4.7
171.10280	6.2
177.12904	0.6
179.25192	0.5
181.12358	2.1
183.13922	1.0
185.11844	1.4
193.12332	0.8
197.11844	44.1
198.12186	2.0
199.13402	7.0
201.11334	0.8
211.13420	5.8
221.11890	1.2
227.12941	0.9
229.14388	0.7
239.16476	0.6
243.06531	0.9
248.20583	0.5
263.20270	0.6
273.18558	0.5
291.19659	3.2
297.54321	0.6
309.20728	4.2
327.21783	100.0
328.22165	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	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03444	2.4
59.01370	0.7
68.97299	0.6
69.03467	1.8
70.98965	0.5
71.01412	1.0
72.12228	0.6
83.04999	0.7
83.08578	0.6
85.02963	6.5
86.10091	0.6
92.93256	0.5
93.88982	0.6
95.05040	1.3
97.06599	5.0
104.30939	0.6
110.03799	0.8
123.08159	0.6
125.09756	1.6
127.11294	2.2
137.09763	1.8
143.82686	0.6
155.10759	1.2
165.12920	1.5
167.14398	0.9
171.10297	13.9
172.10641	0.7
177.12791	1.1
183.13963	5.1
185.11870	1.8
193.12428	1.4
197.11798	0.8
203.10783	0.7
209.11853	2.0
211.13428	26.1
212.13704	1.2
221.11836	5.0
229.14476	16.8
230.14893	1.2
239.10875	0.7
239.12903	2.9
267.67474	0.6
291.19781	3.2
292.20044	0.7
309.20776	2.1
327.21799	100.0
328.22171	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.05561	0.6
55.94716	0.7
58.00603	0.8
59.01392	4.8
69.03460	0.7
69.56240	0.6
70.35947	1.5
71.01395	1.4
83.05034	0.7
85.02956	1.2
91.65543	0.6
97.06584	2.4
109.06614	1.2
111.08173	13.3
125.09698	1.1
127.07659	0.9
137.09773	0.6
144.88705	0.7
153.12900	0.9
168.91431	1.5
169.12360	5.7
171.10320	1.5
179.10870	0.7
181.12360	2.1
185.11870	3.9
185.13200	0.7
197.11852	48.7
198.12198	3.2
199.13405	5.7
209.11853	2.5
211.13431	4.6
221.11835	2.3
227.12892	1.2
229.14406	1.0
239.12802	3.2
263.20303	1.1
291.19839	3.5
309.20773	4.6
313.52960	0.6
327.21790	100.0
328.22144	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.05934	0.4
56.54150	0.3
58.00592	1.3
70.33728	0.3
70.42250	0.8
85.02950	0.4
94.69890	0.3
97.06601	1.9
98.22581	0.4
153.12860	1.6
155.14433	4.3
165.12848	0.5
167.14400	0.4
171.10315	0.6
183.13901	5.7
199.13419	6.4
211.13380	3.8
214.76709	0.4
227.12874	2.5
229.14452	100.0
230.14758	4.5
269.31079	0.3
285.20190	0.4
291.19617	1.7
309.20715	8.8
310.21088	0.7
327.21756	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	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.96140	0.4
57.03442	1.8
59.01371	0.6
69.03448	1.1
69.34195	0.7
69.34488	2.8
71.01379	1.2
71.05020	0.7
71.93533	0.6
83.05036	1.5
84.02164	0.7
85.02961	6.2
85.90102	0.6
95.05038	1.0
97.06585	4.8
98.22577	1.2
102.38700	0.6
105.01951	0.7
111.08224	0.7
125.09701	1.8
127.07660	0.6
127.11281	2.2
135.04526	1.1
137.02441	0.6
137.09692	1.2
155.10754	1.2
155.14432	0.7
165.04030	2.0
165.12860	1.8
167.14441	0.8
171.10291	13.4
172.10646	0.6
177.12852	1.3
181.12430	0.7
183.13921	4.8
184.23514	0.5
185.11830	2.0
193.12402	2.0
197.11852	1.2
203.10837	0.9
209.11836	2.3
211.13420	25.9
212.13776	1.7
221.11909	3.5
229.14435	15.4
230.14764	1.1
239.12912	2.3
273.18542	1.1
283.19025	0.7
291.19687	5.2
297.04114	1.5
309.20724	2.6
327.08936	1.4
327.21783	100.0
328.22073	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08023	0.3
57.03456	2.0
58.00583	0.6
59.01364	0.8
66.74529	0.3
69.03471	1.5
69.29462	1.6
71.01379	1.1
73.02915	0.3
75.34788	0.3
81.03491	0.6
83.05022	1.1
84.02202	0.4
85.02960	6.5
85.06592	0.3
95.05019	1.3
97.02962	0.9
97.06596	5.7
98.06952	0.3
99.92621	0.3
109.06616	0.5
110.03751	0.5
118.89955	0.7
119.08665	0.3
123.08189	0.5
125.09695	1.2
127.11311	2.1
130.79575	0.3
137.09726	1.4
155.10791	1.2
155.14423	1.2
163.11307	0.7
165.12860	1.3
167.10750	0.5
167.14426	1.1
171.10287	15.0
172.10655	0.6
177.12857	1.7
183.13904	5.0
185.11870	1.7
193.12340	1.7
195.13976	0.3
197.11829	0.8
199.13405	0.6
201.11269	0.4
203.10780	0.6
209.11841	2.1
211.13414	24.2
212.13785	1.2
221.11858	3.5
221.63065	0.3
229.14445	15.5
230.14806	0.8
239.12962	2.5
243.06606	0.4
247.20741	0.5
267.36273	0.3
273.18454	0.4
291.19681	5.1
292.20047	0.4
309.20740	1.8
327.21786	100.0
328.22125	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.76616	2.2
57.03456	6.2
59.01379	5.1
68.87495	2.2
69.03442	3.8
69.08189	16.5
71.01404	2.6
83.05024	3.5
84.02165	2.1
86.16673	2.0
95.73566	2.6
97.06589	2.3
97.94132	2.3
99.08192	5.4
113.09740	4.8
117.03517	4.6
118.04247	7.1
121.02987	11.3
125.09726	12.1
125.52032	2.1
127.11324	3.3
137.09715	8.5
141.09198	2.6
145.02936	21.1
148.72615	2.3
155.10805	9.0
161.02493	4.1
162.03233	8.3
162.83844	3.6
167.10838	3.2
168.91428	3.7
171.10278	36.3
181.12386	3.5
182.63966	2.5
183.10272	6.7
185.11812	20.0
189.01909	19.2
190.02739	21.7
195.10326	2.5
197.11893	14.0
199.13246	2.2
201.01920	6.0
201.11351	14.4
209.11780	5.8
213.11275	4.4
222.01768	3.7
227.12946	4.7
243.06650	8.7
259.06119	5.6
266.91257	2.5
291.19733	7.7
297.04126	4.0
309.20660	2.8
327.08856	3.3
327.12375	27.2
327.15799	4.1
327.21771	100.0
328.13058	21.2
328.22061	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	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03427	5.1
59.01384	4.1
60.21053	2.5
60.71277	2.6
70.86164	3.0
81.03462	2.7
83.05027	5.7
84.02171	2.9
97.06583	3.0
115.40829	2.9
125.09738	3.0
129.09235	20.0
137.09756	3.8
137.17270	2.5
141.09236	7.2
155.10802	13.1
163.11375	3.6
165.12787	4.6
168.91451	8.0
171.10304	22.0
185.11858	30.8
197.11861	35.9
199.43967	2.8
201.11365	2.6
209.11841	67.9
209.13736	5.4
210.12160	5.5
211.13365	4.3
227.12880	7.2
273.59036	2.7
291.19736	18.5
297.04025	3.1
309.20755	17.2
312.10199	2.8
327.16037	4.2
327.21793	100.0
328.22089	6.5
332.80994	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72080	0.6
57.03457	3.6
59.01380	2.0
69.03439	1.4
71.01368	3.0
71.05029	2.9
74.55572	0.6
84.02183	1.5
85.02959	13.3
85.06590	2.2
88.99059	0.5
95.05059	0.9
97.06589	6.7
97.27660	0.5
98.21832	1.4
111.08173	0.9
113.06095	0.8
115.07692	0.6
121.02958	2.2
125.06057	1.5
134.02422	0.8
137.09700	0.7
153.12877	0.5
158.71053	0.5
162.01976	2.2
163.02357	1.6
163.68576	0.6
165.04018	0.9
171.10257	6.8
183.13905	19.4
184.14308	0.6
193.12386	0.7
195.13989	1.5
197.11876	1.9
197.22737	0.5
201.11272	0.8
207.17604	0.6
209.11934	0.8
211.13416	12.3
212.13783	0.8
213.15047	0.7
223.17099	1.3
229.14429	2.0
233.15503	0.8
239.12775	0.7
241.14494	1.6
251.16580	2.8
269.17551	1.3
291.19769	4.7
309.20639	1.7
327.21777	100.0
328.22098	8.3
331.85318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
51.81736	0.3
61.98829	0.4
65.76300	0.4
69.89975	0.3
81.03413	0.4
83.05034	0.7
84.45638	0.3
92.25442	0.3
92.92818	0.3
107.05023	0.3
132.39684	0.3
133.51218	0.3
141.12834	1.7
155.14348	0.5
167.14488	0.5
169.15997	0.9
171.08211	0.4
178.91835	0.3
185.00771	0.5
186.01427	0.3
198.28714	0.3
199.07675	1.4
233.84593	0.4
243.06628	12.1
244.07123	1.0
267.98270	0.3
281.28583	1.4
309.28076	2.2
312.13718	4.2
325.27499	1.4
327.15891	9.0
327.29059	100.0
328.16296	1.0
328.29413	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01384	100.0
69.73556	23.4
77.06997	5.1
77.70465	5.5
78.12851	5.3
128.80925	5.8
165.79726	5.9
167.87799	5.7
311.29935	6.4
327.18500	8.2
327.29074	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96542	0.6
58.07547	0.5
59.01382	4.8
61.93629	0.7
61.98835	100.0
67.79290	0.5
70.16368	0.7
73.86043	0.6
92.88683	0.6
93.59637	0.6
95.42014	0.7
96.96053	0.8
99.92603	1.2
100.07797	0.6
100.92613	1.2
101.92429	1.3
101.98105	1.1
106.37492	0.7
125.98101	6.7
143.99146	3.5
215.75867	0.6
243.19728	3.9
244.92346	0.8
259.09415	0.6
292.59283	0.6
309.33411	0.7
328.12421	1.5
328.17435	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	328.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	4.2
66.01101	2.8
69.45760	13.1
74.02467	3.4
76.89164	2.9
78.46808	2.8
84.04556	4.8
96.16004	2.6
102.05622	95.8
128.03548	100.0
129.03926	4.1
146.04565	10.8
170.91109	3.0
198.18723	7.7
199.17053	54.7
200.17307	3.1
224.20052	3.7
240.23285	13.1
241.37671	2.8
253.27089	2.8
266.21249	4.2
284.22311	18.5
310.20184	13.1
327.94504	3.3
328.21320	77.2
329.21927	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	329.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	45.3
68.71696	0.9
69.83025	1.0
70.52600	1.7
71.01404	1.3
73.45541	0.9
76.09953	1.0
78.01157	1.0
87.00884	35.8
89.00354	2.1
91.01929	1.7
95.01385	1.6
97.85560	1.1
103.00382	19.6
106.00607	2.1
112.43559	0.9
112.98837	1.0
121.02979	22.6
123.00884	8.0
123.04659	1.0
130.99867	7.8
137.64468	0.9
138.03218	6.6
153.05600	14.6
153.09222	1.7
166.99878	11.0
182.02228	27.0
183.02405	1.1
197.04576	100.0
198.04919	3.9
274.00040	1.0
329.05176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28160	0.8
55.60607	0.9
55.63139	0.9
57.74141	0.8
59.01384	54.8
69.03458	0.9
71.01387	17.4
72.99287	1.4
73.02969	1.2
83.01391	1.0
85.02970	2.9
85.38836	0.8
87.00874	20.5
88.06812	0.8
89.02444	13.2
91.01915	1.0
93.03461	2.2
95.01417	2.1
101.02460	7.5
103.00374	9.4
107.01393	2.4
108.02183	37.3
109.03010	1.3
111.00891	1.1
113.02453	7.3
119.03493	5.8
121.02072	0.9
121.02961	29.5
123.00877	5.3
123.04530	35.3
125.02460	1.4
130.99870	2.6
135.04564	1.9
138.03244	2.9
139.04041	2.2
149.02487	6.5
150.03232	1.0
151.00397	1.7
152.01163	24.8
153.05568	13.9
165.05582	1.1
166.02711	3.9
166.99886	3.9
167.03502	100.0
168.03847	2.1
181.05110	3.8
182.02202	15.3
194.02199	1.8
197.04555	58.9
198.04913	2.2
209.04568	15.3
209.06502	0.9
210.04913	1.0
210.35378	1.1
239.05742	1.7
269.06723	3.6
290.96457	1.1
329.08820	36.9
329.12704	2.1
330.09241	2.2
331.49612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07602	1.0
59.01384	11.5
61.98846	1.8
69.03465	3.6
69.35728	4.2
69.49300	1.1
70.11140	0.9
71.01391	4.2
71.05028	16.7
87.00880	3.3
88.76486	0.9
89.02484	2.3
93.03459	1.1
97.02975	7.2
101.02477	1.1
113.02486	2.7
115.04024	37.2
117.00446	1.2
121.02983	6.9
122.06160	1.3
123.04549	8.4
134.04753	1.1
135.04530	1.6
143.00273	2.6
145.01776	1.8
149.02463	2.4
150.05600	2.9
159.01474	2.2
167.03448	2.0
168.98250	1.1
170.98093	2.0
170.99780	24.8
171.01350	1.0
173.01341	2.9
179.05711	1.5
182.02240	1.4
184.97699	1.1
185.01346	9.4
185.98416	1.3
187.01169	1.0
187.02937	4.8
195.03369	7.7
197.04938	20.2
199.06541	1.9
210.99278	2.6
213.00844	51.7
214.01169	3.1
223.02954	3.2
225.04462	29.1
232.98405	1.4
243.05534	1.4
251.02376	2.2
260.96780	1.0
269.03452	100.0
270.03909	5.0
300.74081	1.0
312.10870	1.7
329.05566	21.3
329.18497	1.6
330.05667	1.8
330.12201	1.6
330.16449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.0
61.60548	1.2
69.03453	3.2
71.01369	4.9
71.05025	16.6
71.43652	1.2
87.00892	14.2
89.02459	3.0
93.03490	1.6
97.02957	8.1
101.02426	1.6
103.00373	6.3
108.02177	6.5
113.02449	2.2
115.04023	41.9
116.04331	1.6
117.00462	1.7
121.02961	18.1
122.03272	1.6
123.00892	4.5
123.04527	10.8
125.02438	2.0
125.70174	1.1
130.99857	2.3
132.98264	1.2
136.39592	1.3
138.03206	3.0
143.00262	3.3
145.01900	2.3
149.02455	3.6
152.01144	3.7
153.05609	7.4
166.99928	2.9
167.03511	14.8
168.98149	2.0
170.98120	1.4
170.99785	26.5
173.01320	2.5
179.05544	1.5
179.75774	1.5
182.02209	13.2
185.01352	8.9
187.02911	5.1
195.03377	9.6
197.04645	52.0
198.04953	1.9
199.06525	4.3
210.99251	2.3
213.00827	57.6
223.02901	2.1
225.04494	23.2
226.04793	1.6
229.00302	1.3
251.02251	3.0
269.03464	100.0
270.03839	5.7
287.04489	1.5
329.05551	22.6
352.65634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30480	1.8
59.01384	53.7
69.36532	7.8
71.01360	2.6
72.99332	2.7
78.01121	2.7
87.00884	39.9
89.02453	5.9
95.01387	2.9
103.00391	14.7
106.00636	2.1
108.02187	23.1
112.76287	2.2
116.87512	1.7
121.02962	36.0
123.00922	9.3
123.04539	22.7
130.99867	5.7
135.04521	9.3
138.03236	10.3
152.01178	19.7
153.05577	27.0
166.99866	12.2
167.03479	36.3
182.02240	40.3
197.04576	100.0
198.04900	5.1
204.92926	2.2
216.72403	1.8
230.98265	3.6
329.06345	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	329.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34013	5.3
58.03266	5.6
59.01386	38.4
69.55624	18.0
71.01367	9.0
87.00874	20.9
89.02477	7.9
101.02425	6.5
103.00388	6.9
108.02215	6.6
121.02953	25.7
123.01028	4.6
123.04536	26.2
128.60710	4.2
130.99828	5.3
133.32652	4.3
135.04535	100.0
138.03239	5.4
149.00978	5.6
153.05576	47.3
166.99773	6.6
167.03506	14.7
179.05563	10.9
182.02205	20.2
197.04552	84.8
329.06381	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0672
Annotation	6-C-Methylquercetin 3-methyl ether
Peak:m/z	Relative Intensity
59.01372	1.3
60.98323	0.5
65.03965	1.6
67.01883	0.5
69.23398	1.1
69.23804	2.5
73.57549	0.5
77.04025	0.7
79.05499	0.6
81.03478	4.2
85.06624	0.6
93.03462	2.1
93.16051	0.5
94.39117	0.6
95.04531	0.7
95.05022	3.7
105.03487	1.4
107.05041	3.8
108.02172	0.8
109.02962	11.6
116.92895	1.5
117.03506	1.0
119.05053	2.3
121.02976	10.2
123.04546	8.5
133.02979	6.0
133.06696	0.7
134.03773	17.3
135.04546	100.0
136.04839	3.1
137.02458	1.9
137.06108	0.6
137.64427	0.5
139.04008	1.7
143.05067	0.7
147.04538	1.5
148.01717	2.3
149.02469	18.9
150.03101	1.1
151.04004	1.6
154.82257	0.6
158.03761	1.8
159.04544	6.7
160.04065	1.1
160.05328	14.1
160.06671	0.8
161.06076	4.8
163.04039	1.4
164.04791	2.6
171.08215	2.4
171.10315	0.6
173.06073	2.0
174.03233	1.2
174.06934	1.2
175.07675	10.9
177.02000	1.1
177.05594	2.0
178.02731	7.9
178.06342	4.7
179.03523	29.6
179.05121	1.4
180.03995	1.1
192.08011	1.7
193.08717	1.1
199.07700	1.8
213.09262	1.1
223.07588	0.8
223.13133	0.5
267.11511	0.9
285.07846	0.8
313.05179	0.6
314.11520	2.7
329.06708	38.5
329.13916	18.5
329.23520	1.6
330.07074	4.0
330.14157	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	329.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
61.84660	0.7
65.03985	0.6
69.23408	2.3
71.01427	0.6
73.25588	0.6
81.03446	3.4
93.03457	1.5
95.05046	1.4
98.22637	0.9
105.03479	1.7
106.04237	1.0
107.05051	1.8
109.02975	9.4
119.05020	1.1
120.04588	1.8
121.02991	5.2
122.35377	0.6
123.04555	1.2
127.14793	0.5
131.17343	0.6
133.02979	11.9
134.03773	25.1
134.25407	0.6
135.04547	100.0
136.04919	2.9
137.02454	5.4
139.04039	2.4
147.03294	0.5
148.04071	58.8
149.02480	4.0
150.03229	1.0
151.03903	0.6
155.10809	0.9
161.02405	0.6
165.20995	0.5
171.08168	1.2
174.05597	1.0
177.01964	4.6
178.02742	43.3
179.03517	80.1
180.03883	3.3
197.73987	0.6
199.07671	1.0
211.13387	1.5
213.09235	1.1
216.06705	1.1
241.08678	1.0
254.08139	1.3
257.08255	1.0
269.08459	1.7
285.07715	2.1
299.09244	1.4
314.11697	2.7
329.06726	11.1
329.13608	3.3
329.23349	4.5
330.10019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
59.01384	3.1
69.13628	0.5
69.50140	1.4
69.50533	1.0
71.01387	3.4
75.00864	1.1
76.27152	0.6
79.05505	1.2
81.03468	1.0
85.02957	0.9
87.00884	1.0
89.02501	0.6
96.29284	0.7
97.02945	0.7
101.02489	1.3
108.02183	57.5
109.02431	0.7
113.02518	0.6
121.02969	1.7
123.04536	42.2
124.04882	1.4
125.02443	1.6
129.01900	0.7
139.03978	0.8
142.97693	0.6
149.02458	0.6
150.28670	0.5
152.01172	36.3
153.01541	1.3
153.05632	1.0
166.02798	0.8
167.03511	100.0
168.03868	4.2
197.04570	2.6
205.28651	0.7
209.04509	0.7
258.94781	0.6
269.64240	0.6
282.86420	0.6
329.08865	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	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01383	100.0
68.44703	1.0
70.70828	2.2
71.01385	27.9
72.99313	2.6
83.01395	1.3
85.02972	5.9
87.00877	28.3
89.02453	30.6
91.01920	2.4
95.01395	4.2
95.95036	1.0
101.02438	16.0
103.00387	12.3
107.01395	2.4
108.02154	6.0
109.02982	1.9
112.98848	1.3
113.02466	10.7
119.03512	8.1
121.02954	17.3
123.00914	7.4
123.04534	11.0
125.02415	2.1
130.99837	4.1
131.67322	1.0
135.04553	1.5
137.02454	1.8
138.03271	5.7
150.03253	2.3
151.00392	3.4
151.04033	1.8
152.01134	6.3
153.05574	14.8
155.74725	1.1
165.05588	1.5
166.02693	6.9
166.99857	7.5
167.03502	55.8
168.03862	2.5
181.05051	7.2
182.02217	27.0
182.03738	2.1
183.02492	1.8
184.00798	1.2
194.02222	3.4
197.04553	78.1
198.04947	3.6
209.04567	33.7
210.04994	1.1
269.06644	6.3
329.08807	61.4
330.09204	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	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.03709	0.3
52.89861	0.2
57.03439	0.9
59.01382	2.2
65.00310	0.6
69.03458	0.3
71.01380	0.4
71.40009	0.3
73.38858	0.3
81.03462	5.1
83.01388	2.8
87.00898	0.5
89.02484	0.3
93.03466	0.3
95.05019	0.8
107.01379	0.6
121.02937	1.3
123.04532	32.1
124.04841	0.8
125.02460	5.8
125.03360	0.2
126.02727	0.5
130.08688	0.3
132.04541	0.6
137.02519	0.4
147.04486	0.3
149.02451	0.8
151.00395	1.5
153.05551	0.7
153.06694	0.6
153.09225	1.4
163.04027	0.9
167.03499	100.0
168.03827	3.8
185.94980	0.3
191.03531	0.7
197.04343	1.6
197.08220	0.9
209.04543	1.4
329.08685	0.9
330.20319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.5
70.63223	1.5
71.29691	0.8
84.99345	0.9
87.00877	13.9
103.00365	4.9
103.71048	0.8
112.98831	14.0
123.04478	1.3
128.09183	0.9
135.04526	1.1
145.11974	0.9
149.00940	2.1
149.02399	1.1
153.09229	100.0
154.09558	4.7
164.98254	0.8
191.03429	1.0
197.08217	41.8
198.08585	2.6
211.04044	4.1
223.07695	1.6
225.05586	0.9
226.06326	1.7
241.08653	2.7
267.06598	1.2
280.56894	0.9
284.43323	1.0
285.07730	1.2
329.09161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
55.46014	0.7
57.03458	0.9
59.01387	7.7
67.38868	0.5
69.52003	1.3
69.52397	1.6
71.01385	1.1
73.02939	1.5
78.01128	1.5
83.01396	100.0
84.01736	1.8
85.03003	0.8
87.04521	3.2
89.00337	2.8
89.02410	0.9
91.01917	1.9
95.01398	1.7
101.02465	2.1
105.84728	0.6
106.00603	4.2
111.00916	0.9
113.02454	1.7
121.02970	49.9
122.03323	1.4
123.00906	5.2
127.00387	0.9
131.03513	6.2
132.04570	0.9
133.02892	0.7
138.03256	6.9
149.04547	1.8
153.05589	35.5
153.09212	2.1
154.05890	1.5
166.99861	4.8
168.11470	0.7
182.02242	13.2
196.03835	0.7
197.04567	92.8
197.08234	2.5
198.04846	3.4
240.41425	0.7
243.27547	0.6
270.36826	0.6
300.00116	0.7
315.55792	0.7
329.08813	1.7
335.73840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.30378	0.3
59.01386	2.3
68.47998	0.3
69.03447	0.4
69.39274	1.1
71.01392	4.1
72.01707	0.3
73.02953	1.2
75.00894	1.3
75.08954	0.3
79.05527	3.8
81.03465	2.4
83.01426	0.5
84.54253	0.2
85.02963	1.7
87.00886	1.1
89.02454	1.0
91.58810	0.3
97.02957	0.8
99.00912	0.3
101.02463	2.3
103.00430	0.7
108.02187	1.2
109.02995	1.5
113.02450	1.4
121.02957	1.0
123.04540	100.0
124.04866	2.7
125.02483	1.9
129.01956	0.4
130.08795	0.4
137.93724	0.3
139.04044	0.7
149.02524	0.5
152.01123	0.8
161.04608	1.3
165.05592	0.3
166.02710	1.0
167.03513	8.3
168.03856	0.4
182.02235	0.5
197.04553	2.9
329.08798	14.1
329.18127	0.4
330.08994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.2
67.61234	1.1
71.01402	1.1
71.61422	0.9
78.16895	0.8
87.00886	16.3
103.00379	5.7
112.98816	12.2
113.73260	1.0
121.02962	3.3
130.08752	1.4
130.99892	1.4
149.00940	2.9
149.02464	22.3
153.09230	100.0
154.09599	4.9
157.09024	1.0
162.05592	1.3
164.04814	2.7
166.02721	1.7
166.39087	1.1
167.07121	3.6
177.01915	2.3
187.94444	0.9
189.31575	1.0
197.04579	2.1
197.08203	40.0
198.08553	2.3
211.04008	2.3
241.08649	1.6
314.08264	1.4
314.11517	4.8
322.80597	1.0
328.22528	1.0
329.10300	1.5
329.13956	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	329.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64191	1.3
59.01385	49.5
60.49633	1.4
62.52925	1.3
68.55235	1.2
71.01376	1.3
71.05027	38.8
72.99316	7.3
81.85783	1.2
83.05047	2.3
84.99332	1.8
85.02927	1.5
87.00883	39.0
98.22700	3.0
103.00383	23.2
112.98824	46.3
121.02914	1.2
130.99869	4.7
135.04538	3.8
138.53836	1.3
143.99034	1.2
149.00925	37.2
149.02431	9.5
153.09239	2.8
153.12871	20.7
161.04918	1.5
162.05620	2.5
164.04797	1.3
167.03484	1.4
179.03522	1.6
197.11847	100.0
198.12135	6.3
242.11754	2.4
285.08737	1.7
285.12405	2.2
314.11606	1.8
328.83487	1.5
329.12015	6.5
349.10370	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	329.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17516	0.5
56.08081	0.5
59.01381	1.7
60.10425	0.4
60.59816	0.4
62.09393	0.5
67.47032	0.5
71.01382	0.7
71.41565	0.5
77.54433	0.5
81.03492	0.7
87.00883	1.2
91.05568	0.7
93.03468	1.6
103.05561	0.5
105.03477	1.5
107.05037	0.5
108.02172	1.4
109.02987	1.4
115.05575	0.9
119.05020	0.7
121.02967	15.8
121.34039	0.4
122.03783	4.8
123.00861	1.4
123.04573	3.0
124.01681	1.7
130.04308	0.5
131.05049	2.4
133.02968	0.7
134.03723	0.6
135.04550	2.5
136.05334	3.0
137.02444	0.9
137.06122	1.3
138.03212	0.7
143.05019	3.0
145.02965	1.2
145.06618	0.6
146.03679	0.8
147.04532	9.9
148.01668	0.5
148.05028	0.6
149.01315	0.6
149.02467	4.2
149.06088	1.1
150.03271	7.7
151.02924	0.7
151.04013	0.6
153.05603	1.0
158.03746	11.3
159.04532	34.8
160.05312	83.6
161.06100	33.4
162.03323	0.6
162.06458	1.1
163.04013	7.7
164.04814	7.5
167.03423	0.7
168.04236	0.6
173.06099	9.8
174.06851	3.9
175.07655	62.7
176.04774	1.6
176.08032	3.4
177.01985	0.8
177.05597	11.8
178.06364	33.3
179.03506	1.2
179.06758	1.5
191.07129	0.9
192.07936	11.9
193.08694	8.1
197.04565	0.7
197.11804	2.6
212.04832	0.7
219.02972	0.7
224.88495	0.5
225.05675	0.5
226.06407	0.5
240.04335	1.1
241.08661	0.6
251.07303	0.6
254.05891	1.8
265.06247	0.6
267.06790	0.7
268.07486	0.6
269.08203	12.5
270.08551	1.4
271.09857	1.2
281.08597	2.1
283.09741	0.6
284.10495	0.8
285.07727	4.5
286.08276	0.6
299.09308	10.2
299.12619	0.5
300.09564	1.1
311.10300	1.0
313.10950	0.8
314.11578	13.5
315.12021	1.5
329.13950	100.0
330.14285	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	329.1394
Annotation	(-)-Thannilignan
Peak:m/z	Relative Intensity
50.75371	0.5
50.95594	0.6
53.51822	0.5
59.01112	0.5
59.01380	2.8
69.40954	2.9
71.01400	0.5
76.60744	0.5
86.50974	0.5
87.00875	0.9
91.55885	0.5
93.03470	1.6
108.02170	1.1
109.02924	1.2
111.00809	0.5
115.05551	0.9
119.05045	1.0
121.02971	16.4
122.03780	4.5
123.00907	2.6
123.04559	2.9
124.01671	1.6
126.18363	0.6
130.04262	0.9
130.08733	1.9
131.05038	2.5
134.03778	1.4
135.04555	2.1
135.81595	0.5
136.01659	1.3
136.05342	3.2
137.02499	2.7
137.06148	1.4
138.03207	0.9
143.05025	3.8
145.02948	1.6
145.06599	1.0
146.03746	0.9
147.04535	10.6
147.34508	0.5
149.02458	4.9
149.06137	1.0
150.03236	11.1
151.04024	0.8
153.05536	1.9
153.09190	1.3
158.03751	13.0
159.04535	44.0
160.05313	97.6
161.06104	40.9
162.03285	0.9
162.06451	1.3
163.04022	8.8
164.04803	11.3
165.05457	0.6
168.04338	0.7
173.06096	9.5
174.06850	2.9
175.07657	71.5
176.04784	1.3
176.08034	3.7
177.05591	17.5
178.06369	33.7
178.34972	0.5
179.03502	1.2
179.06841	1.5
191.07208	0.8
192.07924	10.4
193.08704	9.0
197.04578	1.6
299.12921	1.4
314.08313	0.6
314.11597	2.5
329.13950	100.0
330.14282	11.1
330.20184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45950	0.2
52.95720	0.2
59.01388	0.8
60.40229	0.2
65.00362	0.3
68.69813	0.2
69.42884	0.8
71.05019	0.6
71.35770	0.2
77.03977	1.1
87.00869	0.4
93.03479	1.9
95.01399	1.4
95.05034	1.8
103.00426	0.4
105.03433	0.9
112.98817	0.5
121.02971	10.6
122.03278	0.2
122.03848	0.2
123.04542	1.1
132.02203	1.0
133.02979	0.2
134.03865	0.2
135.04529	0.5
147.04541	0.6
148.01712	0.3
149.02458	100.0
150.02786	3.6
153.09232	0.2
153.12914	0.7
154.33934	0.2
162.41039	0.2
163.04047	0.2
164.04811	15.6
165.05186	0.7
166.06404	0.8
167.07155	6.4
167.08592	0.4
168.07524	0.3
181.08740	0.3
182.09711	0.2
197.11859	2.2
201.16772	0.2
242.11922	0.5
267.11374	0.3
267.77383	0.2
270.09073	0.8
271.09769	0.7
282.09091	0.3
283.09769	2.1
285.11252	1.1
286.11826	0.3
314.11633	27.7
315.11960	2.6
329.13977	39.4
330.14316	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	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58158	0.3
57.16423	0.3
67.01869	0.6
70.90774	0.5
74.38687	0.3
82.06501	0.3
103.05537	0.5
115.05558	0.6
118.04276	1.5
118.18775	0.3
118.89383	0.3
123.04503	0.3
130.04271	0.5
131.05035	2.3
132.02188	0.8
134.03729	0.4
145.02983	0.5
147.04472	0.6
156.31682	0.3
159.04539	3.4
162.03241	1.4
169.73291	0.3
174.03249	0.4
175.04037	1.1
177.01872	0.6
185.06116	0.4
186.06825	0.4
189.01958	0.5
190.02719	7.5
191.03418	1.4
197.06030	2.2
198.06735	0.4
199.03967	0.4
199.07672	0.6
202.02570	0.5
203.03513	57.7
204.03917	4.5
211.13332	0.3
215.07133	1.2
219.02861	0.3
222.01723	1.0
224.04688	0.4
225.05617	1.5
229.05031	2.4
230.05739	0.7
231.06691	0.4
241.05084	0.8
242.05861	2.3
243.06628	5.3
244.07027	0.4
245.04593	2.0
246.05263	1.1
247.06137	0.7
259.06076	1.3
281.07971	0.3
282.57648	0.3
301.14319	0.3
311.12900	10.9
312.13358	0.8
329.13947	100.0
330.14294	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	329.1396
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
69.07445	1.6
80.51575	0.2
83.05000	0.2
107.89935	0.2
118.04237	1.1
121.03075	0.3
131.05045	0.7
132.02185	0.4
134.03764	0.3
145.02962	0.4
147.04506	1.1
159.04529	1.7
162.03275	1.6
174.03239	1.2
175.04010	7.9
175.11275	0.3
175.24942	0.3
176.04309	0.5
177.01953	0.7
189.02081	0.3
190.02733	5.3
190.04341	0.5
191.03165	0.4
194.85863	0.2
197.06091	1.7
198.06726	0.3
202.02742	0.3
203.03506	27.5
204.03963	1.6
206.02251	0.3
222.01680	1.0
225.05627	0.7
229.04849	0.2
231.06496	1.2
242.05925	1.3
243.06641	0.5
243.36209	0.2
245.04643	0.8
246.05403	0.3
247.06065	0.5
285.15118	0.3
311.12906	8.0
312.13144	0.6
329.13943	100.0
330.14270	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	329.1396
Annotation	Hericenone A
Peak:m/z	Relative Intensity
52.52380	0.8
55.61602	0.7
69.83443	0.6
70.53152	0.6
71.11358	1.0
77.03943	0.6
87.53570	0.7
91.05543	3.0
91.84313	0.7
93.73122	0.7
103.05537	7.4
118.04259	12.4
119.05045	10.9
132.02162	1.1
134.03751	3.9
147.04533	24.3
148.04881	0.8
162.03247	9.5
163.03979	2.6
173.02414	1.1
173.06070	0.7
187.07581	0.7
190.00958	1.2
190.02728	33.6
191.03513	57.6
192.03833	2.8
197.06093	2.3
201.05560	3.4
215.07076	1.1
222.01633	3.5
242.05893	1.1
243.06635	1.4
260.06818	0.8
311.12909	2.9
329.13953	100.0
330.14249	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	329.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42280	0.2
59.01369	0.3
69.27042	0.8
69.27443	0.4
93.03477	0.2
95.05012	0.2
104.02692	0.4
105.03475	0.7
107.01417	0.2
109.02981	0.2
118.04261	6.0
119.04567	0.3
121.03053	0.2
125.02437	0.4
132.02180	3.3
134.03770	1.4
145.02956	0.8
149.02481	0.3
150.03139	0.2
150.05672	0.3
155.08769	0.2
157.89308	0.2
158.03781	0.4
161.02492	0.7
162.03244	5.6
170.03955	0.2
173.02441	0.3
173.06288	0.2
174.03123	0.2
174.06772	0.3
175.04080	0.4
176.01207	0.3
181.06567	0.4
185.06065	1.9
186.06607	0.2
187.04063	0.7
189.01920	1.5
190.02728	19.3
191.03061	1.0
197.06200	0.2
198.06821	0.6
199.07657	10.5
200.08171	0.6
201.01952	0.8
201.05566	0.2
202.06305	0.3
203.03519	1.7
211.04144	0.3
213.05652	0.6
215.07149	0.4
216.04318	0.3
222.01714	4.6
223.02167	0.3
225.05516	1.5
226.06183	0.3
227.07141	1.8
229.05060	6.4
230.05814	4.9
231.06271	0.4
239.07304	0.3
243.06627	14.6
244.07265	4.1
245.08127	0.9
246.33038	0.2
257.08264	1.7
258.08572	0.3
269.08234	0.2
285.15121	0.7
297.11337	0.4
311.12955	0.3
314.11526	0.2
317.88113	0.2
329.13940	100.0
330.14282	9.1
330.18362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53543	0.2
98.22645	0.8
104.02675	0.4
105.03474	1.3
118.04265	7.4
119.04562	0.3
130.04234	0.3
132.02185	4.7
134.03770	1.8
137.02507	0.2
145.02975	0.9
148.01686	0.2
157.06558	0.3
158.03781	0.4
158.07405	0.5
161.02457	0.4
162.03241	6.6
163.03508	0.4
171.04582	0.3
171.08214	0.3
173.02486	0.4
174.06926	0.4
176.01184	0.3
177.02019	0.3
185.06067	2.7
186.06584	0.2
189.01955	1.5
190.02734	25.1
191.03070	1.6
198.06921	0.3
199.07666	4.0
200.07988	0.3
201.01967	0.7
201.05647	0.3
202.06384	0.4
203.03554	1.3
213.05551	1.0
215.03568	0.3
215.11153	0.2
216.04288	0.3
222.01697	3.5
225.05647	0.4
227.07214	1.0
229.05084	6.9
230.05829	5.7
231.06352	0.5
243.06627	6.2
244.07260	0.9
245.07851	0.2
257.08234	0.8
270.08578	0.4
271.09830	1.3
285.14999	0.8
287.09326	0.6
299.12622	0.3
329.13953	100.0
330.14291	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	329.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05615	0.2
69.61987	0.5
96.58176	0.2
104.02669	0.3
105.03446	0.6
118.04261	10.8
119.04592	0.2
132.02187	2.6
134.03757	3.1
141.07201	0.2
145.02942	0.5
145.67361	0.2
146.03740	0.2
148.01671	0.3
155.17816	0.2
157.06589	0.3
157.23680	0.2
158.07404	1.5
159.04425	0.4
161.02470	0.4
162.03242	9.1
163.03627	0.3
171.04524	0.7
173.02449	0.8
173.06015	0.4
174.06865	1.7
177.01924	0.2
184.05252	0.6
185.06081	6.8
186.06705	0.8
187.04053	0.9
189.01872	1.2
190.02730	35.1
191.03064	1.9
199.07664	0.4
201.01968	1.4
202.06372	1.2
203.03516	0.8
211.04019	0.8
212.04713	0.3
213.05571	2.6
215.03616	0.2
222.01714	4.7
223.02162	0.2
229.05063	11.6
230.05840	21.7
231.06235	1.3
243.06569	0.5
255.06659	0.3
271.09668	0.5
285.14984	0.4
297.11404	0.3
311.12915	0.5
329.13959	100.0
330.14310	10.7
330.18338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56306	0.4
69.65656	0.4
69.66000	1.3
69.69630	0.4
80.41109	0.4
81.91289	0.4
88.46360	0.3
105.03516	0.6
118.04268	5.8
118.59280	0.3
132.02179	3.9
134.03751	1.4
144.88916	0.4
145.02950	0.7
161.02446	0.8
162.03238	7.3
173.02364	0.4
174.06931	0.4
185.06055	2.4
187.07744	0.4
189.01964	0.9
190.02730	22.3
191.03032	1.2
199.07655	6.8
199.09416	0.5
199.13492	0.4
200.08078	0.5
201.02023	0.5
203.03577	1.3
213.05577	0.7
213.09207	0.4
222.01724	5.6
223.02014	0.5
225.05595	0.9
227.07155	1.3
229.05078	5.9
230.05856	5.1
230.08136	0.6
231.06279	0.6
243.06621	12.5
244.07407	2.4
245.08159	0.6
257.08261	1.6
285.14908	1.0
297.11380	1.0
329.13968	100.0
330.14325	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	329.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52506	0.5
58.29315	0.6
59.37384	0.5
61.98832	0.8
67.54729	0.5
71.24197	0.7
108.84789	0.5
117.03502	0.6
118.04254	2.6
119.05060	0.6
124.87217	0.5
129.26897	0.5
130.04243	0.8
131.05014	1.2
132.02184	1.6
134.03775	0.8
139.11264	0.7
145.02979	1.0
147.04536	1.6
158.03850	0.8
159.04536	2.6
161.02483	1.0
162.03302	2.4
170.91112	0.9
171.10240	1.2
175.04062	0.9
183.04523	1.0
185.06044	0.9
189.01965	1.9
190.02728	8.6
191.03525	3.6
197.06012	1.3
199.07700	0.9
201.01918	0.8
201.05621	1.2
203.03516	34.4
204.04041	4.0
206.02251	0.9
206.15033	0.5
211.07730	1.0
211.13445	0.8
212.08286	0.5
213.05634	0.8
213.09137	0.7
215.07210	0.6
216.04303	0.6
222.01717	1.9
229.05096	1.9
229.08678	3.5
229.14410	0.7
230.05867	1.7
230.09242	0.9
243.06715	2.9
244.06847	0.5
245.04613	3.7
245.06837	0.6
246.05432	0.7
255.06544	0.6
256.07397	1.0
257.08234	2.1
285.14951	0.7
314.11667	6.3
314.15073	1.3
329.13968	100.0
329.17361	4.7
329.22952	6.7
330.14261	10.7
330.17847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
69.71680	1.4
69.72002	0.6
93.03448	1.4
109.02961	2.5
110.59660	0.5
120.04573	0.8
121.02965	29.0
122.03240	0.8
134.03775	0.7
135.04533	5.3
137.02318	0.6
140.08850	0.5
143.90056	0.6
145.02968	0.9
147.04536	8.8
148.04039	14.1
149.02415	1.6
149.04474	0.5
159.04498	3.1
187.03998	0.6
192.07930	1.7
196.05269	1.7
198.06837	0.7
209.06047	0.8
210.06903	1.1
211.03964	1.6
212.04820	5.4
213.05597	0.7
216.06726	0.8
222.06906	0.7
223.07703	1.6
225.05699	1.1
225.09250	1.1
226.06432	2.9
227.10741	0.7
228.59938	0.5
237.05643	0.8
238.06436	0.6
239.03400	1.0
239.06989	0.7
240.04280	5.4
241.04581	0.6
241.08701	3.0
241.93790	0.6
243.10272	2.3
247.35558	0.5
250.06416	0.9
251.07115	2.7
252.07506	0.5
253.05061	1.3
253.08813	3.2
254.05809	9.0
255.06349	1.3
255.10258	2.3
263.07233	0.8
265.08731	1.0
267.06561	0.9
268.07492	1.5
269.08200	77.0
270.08658	6.8
271.09790	8.1
272.10031	0.8
280.06116	0.8
281.08185	11.7
282.08759	1.7
283.09720	3.5
286.04953	0.9
298.08551	0.8
299.09268	56.6
300.09570	5.5
313.10919	1.3
314.11606	72.6
315.11957	7.8
329.13943	100.0
330.14310	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	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.1
69.38173	1.0
69.38590	1.6
71.01398	0.5
87.00868	0.7
88.65160	0.4
93.03464	1.2
98.22686	0.6
105.03476	0.9
107.05015	0.5
108.02171	1.4
109.02947	0.9
115.05573	1.1
116.53673	0.5
119.05019	0.9
121.02961	12.7
122.03795	4.5
123.00900	1.9
123.04527	1.6
124.01663	1.2
130.04283	1.2
131.05063	2.5
134.03754	1.1
135.04518	2.7
136.05313	3.0
137.02505	1.3
137.06053	1.7
138.03232	0.7
143.05019	2.9
145.02937	1.7
145.06607	1.1
146.03804	0.9
147.04544	9.2
148.03027	0.5
148.04913	0.6
149.02440	3.9
149.06099	0.6
150.03241	9.7
151.03957	1.3
153.05566	1.2
154.00243	0.5
158.03738	13.6
159.04529	42.2
160.05307	100.0
161.06096	37.1
162.03334	0.6
162.06459	1.6
163.04008	7.0
164.04802	9.1
165.05336	0.6
173.06084	12.1
174.06856	3.6
174.61949	0.5
175.07646	70.6
176.04802	1.9
176.08026	3.1
177.05591	12.5
178.06361	32.7
179.06798	1.9
180.07948	0.8
191.07167	0.5
192.07939	11.9
193.08690	8.2
194.08917	0.6
195.10211	0.6
223.09708	1.0
247.06047	0.6
269.07916	0.6
299.12943	1.2
311.69949	0.5
314.11591	2.2
329.13943	97.4
330.14313	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	329.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
65.40655	0.8
68.19495	0.9
69.17361	1.0
69.17671	5.2
83.02894	0.9
86.77782	0.9
98.22626	1.6
118.04318	1.0
121.02970	1.5
125.02434	1.5
130.04248	0.9
131.05002	1.3
145.02969	12.1
146.03751	2.7
147.04510	1.4
149.02425	1.0
161.02458	1.3
165.38756	0.8
166.34334	0.9
173.02443	5.8
174.03239	51.6
175.04010	18.0
176.04387	1.1
187.04051	2.4
190.02699	2.3
197.04572	1.0
206.02234	14.1
211.13487	2.7
214.06409	1.7
243.06673	2.5
255.10306	6.0
256.10779	0.9
299.12933	1.9
311.12885	2.2
314.11743	1.7
329.10739	4.0
329.13959	100.0
329.23056	11.8
330.14310	11.5
336.07162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
61.30843	0.4
71.01388	32.6
73.30930	0.5
115.00385	7.8
126.46175	0.5
133.01436	0.8
149.02472	0.5
183.12347	1.0
183.13899	12.4
184.14247	0.6
195.13919	10.4
196.14268	0.7
213.14970	100.0
214.15305	6.1
329.13895	0.7
329.23334	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	329.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	97.3
74.96192	17.9
75.00871	5.3
83.47703	2.3
98.96205	92.7
99.98574	2.7
109.87223	2.1
112.62364	2.1
116.97276	58.8
124.56630	2.5
130.87320	2.4
134.01459	2.5
141.73015	2.1
159.04486	2.4
212.42892	2.4
229.99956	2.3
244.43405	2.6
259.56259	2.2
271.22836	57.0
272.23236	4.5
329.18652	100.0
330.19028	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	329.2335
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
54.31505	0.4
57.03447	1.6
67.56950	0.4
69.03457	0.4
70.50603	0.4
70.50937	0.4
83.05036	1.1
92.58854	0.4
95.33594	0.5
97.06589	0.5
99.08170	5.4
100.77510	0.5
122.13100	0.4
125.09747	1.6
127.11304	3.4
137.09695	0.5
139.11314	5.4
155.10849	0.6
155.14445	0.5
157.12415	0.6
165.12906	0.6
167.14424	1.4
171.10289	14.0
183.13911	5.3
193.12379	1.7
209.11798	1.0
211.13406	27.3
212.13757	1.8
229.14478	14.5
230.14842	0.9
293.21298	0.9
311.22272	1.0
329.23361	100.0
330.23700	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	329.2337
Annotation	9,10-Dihydroxy-12,13-epoxyoctadecanoate
Peak:m/z	Relative Intensity
57.03449	0.6
57.31855	0.4
58.00599	1.1
59.01361	0.8
69.17881	0.8
69.18282	1.5
71.01367	0.5
71.05035	0.7
73.02958	0.7
98.22587	0.9
99.08186	0.4
115.04014	1.4
123.08162	0.6
125.09754	5.2
127.11299	8.0
137.09744	1.7
139.11320	2.2
151.52251	0.4
155.10818	3.9
157.12321	0.7
165.09235	3.4
171.10286	8.7
183.10263	1.2
199.09796	2.4
201.11342	46.5
202.11713	2.1
211.13428	2.3
229.14339	1.0
263.20166	0.8
264.18793	0.5
275.20215	1.2
293.21222	3.1
302.51837	0.5
311.22330	3.6
329.23352	100.0
330.23682	9.5
349.79269	0.4
351.78625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	72.3
70.82307	23.2
71.01398	36.7
73.61059	21.0
87.00893	38.4
91.11678	17.1
100.13247	25.3
110.42590	18.6
130.08769	42.3
132.04570	100.0
149.02470	80.6
150.02820	44.0
153.09215	61.6
154.09572	71.5
155.10773	78.5
170.04126	19.7
173.67764	20.1
197.08235	29.2
198.08495	54.5
199.09781	92.1
210.64876	18.4
238.05099	28.2
239.05913	80.9
243.11426	20.7
254.08231	54.1
330.09946	20.9
330.14389	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.43570	0.9
58.00607	1.0
59.01384	100.0
59.04789	1.0
63.05495	1.0
69.47631	2.4
69.48043	2.4
70.14317	0.9
71.01390	48.2
72.99314	2.0
73.02953	3.3
83.01395	2.1
85.02962	9.4
87.00877	3.1
89.02454	45.1
95.01398	3.6
97.09071	0.9
101.02451	23.1
102.02805	1.1
108.02161	1.0
109.32710	1.0
113.02464	19.4
119.03519	16.4
120.48888	0.8
122.03748	1.9
125.02465	2.1
128.03532	1.2
130.08801	1.4
131.03542	1.4
135.04607	1.2
138.01996	8.6
143.03474	2.9
149.04498	1.4
151.02737	5.4
152.03537	18.9
159.29399	1.0
161.04564	3.7
164.03523	1.6
166.01451	7.4
168.03030	62.5
169.03358	2.2
179.05679	4.9
180.03009	1.9
192.03012	3.9
197.05751	1.4
204.38231	0.9
210.04126	12.6
222.04036	7.9
240.05208	2.2
265.46030	1.2
270.06259	2.1
286.17648	1.9
330.08316	63.7
331.08536	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	331.0675
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.38964	0.7
59.01379	1.6
69.03465	3.4
69.07041	5.2
72.01312	0.6
79.01915	1.3
81.03483	1.2
83.01412	1.7
91.22401	0.7
92.66625	0.7
97.02952	3.0
107.01403	1.1
113.02469	1.1
115.04001	1.1
121.02992	1.6
123.00912	3.4
123.04547	0.9
124.01674	14.6
125.02463	66.2
126.02840	1.7
139.45061	0.6
149.99596	27.4
151.00291	2.4
153.01927	1.5
167.03494	1.5
168.00658	60.1
169.01424	9.7
170.99773	4.5
185.01352	1.2
213.00900	6.9
217.92390	0.6
233.71448	0.6
235.02872	0.7
251.46863	0.7
271.04993	1.6
313.05795	6.9
331.06729	100.0
332.07202	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	331.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48130	4.2
59.01387	100.0
65.03373	4.7
68.76617	3.7
69.03480	4.9
70.72336	8.5
71.01389	15.5
83.01420	4.3
85.02962	4.2
86.62879	3.8
87.00880	5.9
89.02464	4.5
93.03466	5.1
94.02972	4.2
97.02958	12.2
99.04531	11.8
101.02467	6.8
103.43800	4.0
107.05045	5.0
109.02949	10.7
115.04027	8.3
122.06052	4.4
124.01674	10.2
125.02444	20.1
127.04037	11.1
131.03502	5.1
132.98247	6.1
134.02493	4.7
139.04060	8.8
149.99577	6.4
150.05606	5.2
151.04044	6.7
151.05951	8.0
158.99936	3.9
168.00687	13.9
168.14597	3.6
169.05038	10.2
170.99768	27.1
173.01257	5.1
179.05524	5.6
183.03006	8.6
184.97726	6.3
187.00960	5.9
187.02838	5.0
189.00676	5.3
193.23106	3.6
200.02243	3.8
213.00847	26.1
213.02567	4.3
227.02292	6.4
243.05127	74.8
244.05432	7.0
263.51157	4.7
271.04880	10.6
331.03317	5.7
331.06671	36.6
331.10556	4.3
331.12186	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	331.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05220	0.8
57.03448	0.9
59.01390	3.1
66.24039	0.9
69.03458	1.5
69.85637	1.7
69.86001	1.9
71.01380	1.5
71.05026	12.1
74.38758	0.7
96.00970	0.9
97.02985	4.5
99.04525	2.5
113.02493	1.1
115.04015	17.2
117.05598	6.3
121.02982	1.1
124.01686	2.3
125.02460	9.5
136.64244	0.8
143.00293	4.0
144.98375	0.8
145.01816	4.3
146.07202	0.9
149.99596	3.3
152.77690	0.8
156.98178	1.4
164.07175	3.7
168.00681	7.8
169.01476	1.9
170.99774	73.3
172.00102	1.9
173.01346	2.2
185.01297	10.7
185.98543	2.5
186.99269	2.0
187.02945	4.2
189.00847	1.4
195.03484	1.4
197.04941	2.4
198.99309	0.9
199.02960	1.5
211.02904	1.0
213.00833	100.0
214.01221	4.1
215.02420	19.3
216.02626	1.0
217.45563	0.9
225.04434	5.7
227.02277	1.6
231.01749	0.8
235.45319	0.9
243.41209	0.8
255.94861	0.8
269.03394	6.4
271.05051	41.5
272.05408	2.9
313.05759	1.4
315.03827	1.5
331.06854	21.0
332.07288	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	331.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73857	0.3
59.01366	0.7
60.76325	0.4
69.03451	1.6
69.08754	2.0
69.31004	0.4
71.01377	1.3
73.02959	0.7
75.46188	0.3
79.01894	0.4
81.03436	0.4
82.00597	1.7
83.01396	1.0
85.02941	2.1
94.96814	0.4
95.01379	0.4
97.02963	1.0
101.02465	1.0
107.01390	0.7
107.83318	0.4
108.02180	0.4
110.00109	8.3
111.00943	0.4
113.02460	2.9
121.02911	0.3
123.00914	1.6
124.01669	5.4
125.02456	26.6
136.41382	0.3
137.02467	0.7
137.99600	8.3
138.03162	0.4
139.00400	3.4
149.99591	8.6
151.00365	0.7
151.03951	0.6
152.01208	2.6
153.01949	100.0
154.02658	4.5
155.03555	0.6
161.04596	1.0
167.03520	8.4
168.00656	18.4
168.04294	48.9
169.01430	5.7
169.05078	9.2
172.38060	0.3
179.03537	0.6
191.03546	0.6
196.03714	0.6
211.06030	0.5
215.28966	0.4
221.04486	0.4
313.05615	2.5
331.06735	26.1
331.10345	2.9
332.07037	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	331.1037
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
51.54260	0.4
59.01385	1.0
68.15756	0.4
69.03438	0.5
69.61299	1.2
71.01385	1.8
73.02938	0.7
76.99893	0.4
82.00597	1.6
85.02958	2.7
101.02448	1.2
106.39371	0.4
108.02163	0.6
109.02835	0.4
110.00106	7.4
113.02460	3.1
123.00917	0.8
123.04539	2.1
124.01680	1.1
124.04841	1.0
125.02470	7.2
125.05016	0.7
131.03496	1.7
137.02458	0.7
137.99608	8.4
138.03241	0.4
139.00432	2.8
140.01167	1.1
152.01144	3.4
153.01952	100.0
154.02495	4.7
155.03523	2.1
157.19026	0.4
161.04533	0.8
166.02731	1.1
167.02129	0.7
167.03511	11.2
168.04297	56.2
168.99184	0.7
169.05083	9.1
179.03438	0.5
181.05214	0.5
186.99286	0.5
187.77905	0.5
191.03481	0.7
196.03909	0.5
209.04518	0.9
211.06172	0.9
221.04694	0.4
221.76109	0.4
227.02441	0.5
247.76598	0.4
299.07968	0.5
331.04080	0.6
331.10339	4.5
353.05450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31704	0.6
58.64723	0.7
59.01380	6.2
69.47941	0.6
70.48111	1.3
70.93977	0.6
71.01374	1.6
73.02948	1.7
83.05032	5.0
83.99166	0.6
87.00884	6.0
99.04547	0.7
103.00343	0.7
112.98854	0.6
113.02459	0.7
135.08203	1.3
137.09738	11.3
155.10793	66.4
156.11127	2.2
181.08710	2.7
199.09775	100.0
200.10132	5.1
207.01479	0.7
331.10474	1.2
344.98438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.8
57.71911	0.9
59.01385	35.5
60.28143	0.9
71.01382	2.3
71.05016	3.1
72.99300	2.1
83.05020	1.0
84.99339	1.4
87.00880	23.4
89.02462	1.8
96.41733	0.8
103.00381	14.0
109.02933	1.1
110.92258	0.9
112.98815	26.6
130.99858	3.7
134.02495	1.3
141.92598	0.9
149.00917	4.7
151.03970	1.5
153.12849	3.3
155.10727	1.7
177.05606	2.4
179.03403	1.0
195.06628	2.0
199.04004	2.2
199.09651	2.6
199.13405	100.0
200.13748	4.9
203.60579	0.9
227.03464	2.4
255.03188	1.1
255.06598	1.3
270.05447	1.4
270.08722	1.1
271.06061	1.7
274.56259	0.8
285.07620	8.4
286.08212	1.2
297.37695	0.9
300.05203	1.3
300.10028	5.8
301.10565	2.1
313.10980	1.1
316.09567	1.4
331.13885	5.2
331.17438	1.5
332.96249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.6
69.52053	2.7
69.52390	0.5
71.05045	0.9
73.02946	0.8
84.99342	1.0
85.02955	0.7
85.24263	0.6
87.00887	18.1
89.02451	0.8
101.02443	1.9
103.00388	9.5
108.87812	0.8
112.98074	1.3
112.98830	19.2
113.02490	0.9
122.06128	1.3
130.99893	2.5
139.11310	1.9
149.02470	0.9
150.02827	0.6
153.12868	1.5
155.10791	5.5
199.09818	4.5
199.13417	100.0
200.13751	6.2
240.29837	0.6
269.13229	1.1
300.05194	1.0
316.12299	1.0
331.14148	8.8
332.14349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58552	0.2
71.39022	0.3
81.03445	0.3
95.04997	0.2
104.02682	0.6
105.03466	0.9
118.04260	4.9
119.04594	0.2
132.02196	5.1
134.02698	0.2
134.03738	1.5
136.05249	0.2
145.02954	0.5
148.01736	0.2
150.03235	0.3
157.06636	0.2
158.03761	0.4
158.07324	0.3
162.03230	5.7
164.04794	0.8
171.04562	0.3
173.02397	0.2
173.06079	0.2
174.06897	0.3
180.52400	0.2
185.06061	1.9
187.04120	0.3
189.01924	0.8
190.02731	16.8
191.03079	0.8
192.04340	0.4
199.07668	2.0
201.01955	0.4
203.03528	1.0
213.05663	0.5
222.01736	2.2
224.03192	0.2
225.05692	0.3
226.06390	0.2
227.07210	0.7
229.05077	6.4
230.05807	5.0
231.06342	0.4
243.06625	2.7
244.07262	0.6
247.77040	0.2
267.50610	0.2
287.16574	1.1
289.14423	0.7
303.16113	0.6
310.59128	0.2
331.15521	100.0
332.15872	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	331.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00909	0.2
62.65207	0.1
65.03981	0.2
66.70052	0.2
98.08068	0.2
98.21803	0.3
104.02683	0.4
105.03474	0.8
118.04266	6.5
124.52309	0.2
130.04259	0.3
132.01218	0.3
132.02185	4.9
134.03760	1.5
141.52545	0.2
145.02975	0.7
158.03767	0.3
158.07478	0.2
162.03247	6.3
171.04517	0.3
173.02505	0.3
174.06885	0.3
185.06099	1.5
186.06819	0.3
189.01990	0.8
190.02736	22.2
191.03053	1.3
199.07690	1.9
201.01950	0.6
201.05588	0.3
202.02792	0.2
202.06464	0.5
203.03558	0.7
213.05595	0.4
222.01697	2.7
225.05661	0.3
227.07182	0.6
229.05070	5.9
230.05861	5.0
231.06355	0.5
243.06664	2.5
244.07245	0.5
259.09863	0.3
287.16559	1.0
329.13943	0.3
331.15530	100.0
332.15866	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	331.1554
Annotation	Asperfuranone
Peak:m/z	Relative Intensity
50.58039	1.1
57.01225	1.1
61.98817	1.1
70.35188	2.3
76.18703	0.9
83.01380	2.2
85.38107	1.0
107.93280	1.0
123.02520	1.1
134.02501	1.8
165.01915	3.3
166.02692	2.7
175.25822	1.2
177.01895	1.5
179.03546	3.8
191.03569	2.5
194.02339	1.5
205.01465	4.9
207.03004	54.6
208.03479	2.6
217.05148	1.6
219.03036	17.1
219.06735	1.4
220.03357	1.5
221.04720	1.2
226.53462	1.3
230.20851	1.1
233.04556	8.1
233.08180	1.2
243.06660	2.0
245.04532	1.5
245.08234	6.1
247.06210	6.6
259.05637	1.2
261.07574	2.7
262.08392	6.4
315.12692	1.3
329.13928	5.3
331.15530	100.0
332.15869	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	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.45044	1.1
58.00600	1.8
58.40916	1.4
59.01387	100.0
71.01389	60.1
72.99339	2.4
73.02959	5.3
83.01394	3.7
85.02960	11.8
86.33095	1.1
87.00887	4.5
89.02455	62.5
90.02811	1.0
95.01409	4.3
97.02952	3.8
101.02458	29.9
107.04964	1.6
109.02961	2.1
113.02465	23.3
114.66155	1.1
119.03522	21.4
120.03818	2.0
125.02444	1.7
131.03549	2.3
134.02527	2.0
135.04526	2.2
136.01720	1.7
143.03548	2.5
149.02417	1.2
151.03990	2.1
153.01944	3.3
155.10794	1.4
161.04514	2.8
177.01917	1.7
179.03593	1.4
179.05663	1.5
183.10318	2.5
199.09804	1.2
201.05547	1.4
227.07289	1.2
255.10326	5.8
271.09393	1.3
299.09167	2.0
316.12473	1.3
331.11508	2.3
331.14517	3.8
331.18317	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	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31755	1.0
52.66722	1.0
55.01904	1.3
57.03456	1.7
57.11309	1.0
58.00596	2.1
59.01385	100.0
71.01389	56.5
71.01795	1.8
71.41903	1.3
72.01730	1.1
72.99301	2.0
73.02949	3.8
75.40543	1.1
83.01395	3.1
85.02955	12.2
87.00892	2.4
89.02455	60.4
95.01421	3.0
97.02947	4.0
99.00880	1.4
101.02452	26.0
109.02992	2.2
113.02460	19.8
119.03532	19.7
119.04866	1.1
121.06543	1.1
131.03473	1.7
133.02977	1.3
134.03705	1.3
135.04575	2.6
136.01697	2.8
147.03024	1.4
149.04620	1.7
151.04041	3.1
153.01953	1.4
155.10719	1.7
161.04590	2.4
161.05875	1.7
163.04013	1.1
173.09721	1.8
177.02026	2.2
179.03461	2.0
179.05663	2.5
183.10336	1.3
199.09824	1.7
255.10278	2.6
301.09848	1.7
316.12128	1.4
331.08066	2.6
331.14346	3.7
331.17841	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	332.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53945	17.3
61.98824	100.0
62.05832	18.3
69.18625	41.3
69.19028	75.1
82.16929	16.7
134.02516	54.2
136.84552	17.0
152.01164	17.6
196.65076	15.5
206.66544	18.4
300.05148	40.6
306.55048	16.5
330.10995	17.8
332.07596	22.0
332.15497	19.9
333.13504	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26296	0.8
54.39496	0.9
61.98846	1.1
62.23784	0.8
66.44812	0.9
72.95973	0.9
77.82860	0.7
81.79768	0.7
83.93092	0.9
89.49812	0.8
96.96021	15.7
97.93164	1.1
99.08164	1.2
99.92596	100.0
100.92618	4.1
100.93359	4.4
103.91306	0.9
115.92078	12.2
116.92087	1.1
116.92883	13.1
118.89989	54.7
119.89985	3.3
119.90778	7.3
134.02512	7.5
134.89479	7.7
135.90271	31.8
141.93584	1.7
153.05563	0.9
155.04370	0.8
171.10315	1.5
172.10785	1.3
173.10796	1.1
183.13937	1.0
211.13431	3.0
212.13777	4.0
213.14000	5.1
214.14308	1.4
229.14180	0.9
230.14738	1.9
231.15019	3.6
241.03882	1.3
266.06082	1.4
268.07712	1.1
278.06180	15.7
279.06250	1.5
296.07230	93.3
297.07452	9.9
300.05188	5.5
331.23956	31.2
332.04761	10.4
332.24197	8.8
333.04965	2.0
343.87103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0985
Annotation	Melampodin B
Peak:m/z	Relative Intensity
59.01387	4.0
62.80323	1.1
66.63257	1.2
80.02696	2.2
83.05063	1.8
83.15283	1.1
87.00953	1.1
88.04057	5.9
96.96038	2.3
98.21912	3.4
108.02194	12.9
110.56020	1.1
111.04568	1.2
118.04272	11.4
118.05088	1.7
121.02946	1.9
122.06161	2.1
129.05609	1.7
130.52684	1.3
134.03781	3.4
136.01669	9.8
136.07790	1.5
137.02473	1.6
145.02904	1.6
145.09784	1.1
152.01176	2.9
152.99585	1.3
158.57655	1.2
161.02443	2.3
162.03253	13.9
175.04012	1.2
180.00677	8.7
189.01901	5.7
190.02736	78.2
191.03110	2.6
193.99037	1.3
200.08371	1.4
201.01947	3.5
201.11237	1.7
202.02661	1.5
202.06409	1.6
203.03510	4.0
204.04218	1.6
205.05089	12.4
211.07611	2.8
212.08453	1.5
213.05620	1.9
217.05118	2.7
218.02193	1.5
219.03093	2.3
222.01709	3.8
222.59087	1.2
233.04607	4.3
246.05333	4.1
255.06508	2.7
256.07440	17.4
257.08051	2.5
257.12943	2.8
259.06067	4.1
271.09778	17.9
272.09866	2.1
274.08496	6.8
289.10950	8.7
289.14539	4.9
318.07324	9.0
319.07501	1.5
333.09799	100.0
333.13535	24.2
334.10373	8.8
334.13449	2.2
334.17160	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	333.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87587	0.6
56.69853	0.5
59.01375	1.7
69.40969	1.1
69.41376	1.8
71.01377	1.3
73.02962	0.5
76.99863	0.6
78.03513	0.7
80.05035	0.6
85.02955	1.5
92.05063	2.5
94.02978	0.7
94.06634	4.2
95.60957	0.6
99.66054	0.5
104.05074	3.5
105.03484	3.2
106.03026	0.6
106.06638	11.4
107.03774	0.9
108.04558	2.0
120.04578	6.2
121.05393	1.5
122.06136	16.8
123.03273	2.7
123.06429	0.6
124.07658	1.0
131.03772	1.8
131.22716	0.6
132.04573	8.3
135.03291	0.6
138.05624	24.8
139.05936	0.9
140.95441	0.5
148.04063	1.1
150.05602	2.5
150.22346	0.5
153.09195	1.4
166.05035	0.9
168.06750	0.6
179.11629	0.7
189.07927	1.1
197.07271	0.6
201.14975	0.9
202.12407	0.9
213.06750	1.0
215.11867	1.1
217.07430	1.4
229.09869	1.0
231.11409	0.7
241.09740	3.4
243.11382	2.0
259.10843	1.0
289.11957	100.0
290.12311	8.2
333.10956	4.8
333.14853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74185	0.8
57.03468	1.0
59.01385	74.0
62.18480	0.7
69.27690	4.3
71.01398	3.0
71.80439	0.8
72.99289	1.0
73.02953	1.8
81.07114	2.2
82.13532	0.8
87.00887	5.2
87.04525	1.6
89.02467	2.1
97.06629	1.1
98.21839	1.5
101.02432	1.1
108.04559	3.4
112.98810	1.5
113.02459	1.2
123.08173	4.9
136.04065	3.9
141.09212	2.0
149.00938	3.9
156.44455	0.7
171.06631	1.1
171.10306	1.5
183.10269	2.3
201.11345	100.0
202.11736	5.4
271.10803	1.1
273.75781	1.0
316.53680	0.8
333.11649	2.6
333.15448	1.4
333.19052	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	333.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09672	0.4
57.03455	0.7
59.01387	18.2
71.01394	4.7
71.05043	2.6
71.05370	0.5
71.41180	0.7
72.99313	0.8
73.02959	0.8
83.01389	1.8
85.02975	1.4
87.00871	4.9
87.87621	0.6
89.02444	3.7
97.06618	2.9
99.00887	2.7
101.02470	2.7
103.00398	0.7
109.06624	0.7
111.08155	0.6
112.98842	1.1
113.02425	1.1
117.01967	1.0
119.03517	0.9
123.08167	3.2
127.87738	0.5
131.03752	1.8
132.04544	1.1
135.04562	0.8
137.09731	3.5
139.11310	45.9
140.11665	1.9
147.03276	2.1
149.01001	0.7
153.09204	0.9
155.10797	13.0
155.20038	0.6
157.12340	1.9
160.04034	1.2
162.05626	2.2
171.10292	5.4
179.03365	0.6
183.10257	0.6
188.03535	1.8
197.11891	0.8
199.09769	3.2
201.11356	100.0
202.11642	5.3
205.78792	0.5
212.25615	0.5
217.10802	5.4
273.13498	2.3
291.14563	11.3
312.97842	0.5
333.11688	1.6
333.15573	11.8
333.19305	2.8
334.05804	4.6
334.15805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.0
59.01383	4.1
61.62283	0.7
61.97025	0.7
69.26787	3.7
69.27194	1.0
74.35046	0.7
87.00874	4.3
108.02184	25.0
111.08143	1.9
112.98823	2.1
124.12871	0.8
135.04604	0.9
136.01682	27.0
139.11308	36.3
140.11644	1.3
152.01225	1.5
162.03214	0.8
171.63881	0.8
180.00694	5.6
183.10283	19.8
189.05588	2.7
189.09677	0.8
190.06226	1.0
201.11346	100.0
202.11659	5.9
204.07877	1.3
205.57419	0.8
289.14484	12.6
333.13452	26.3
333.17407	1.4
334.13837	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	333.1348
Annotation	CGS 12066B
Peak:m/z	Relative Intensity
57.03451	8.8
59.01382	1.7
60.81795	1.1
68.50559	1.1
70.74619	2.1
81.03458	10.5
83.01403	8.9
83.05021	4.2
97.06581	1.2
99.04525	16.5
101.19684	1.5
109.06591	3.2
122.03795	1.4
123.04517	5.3
124.01675	5.1
125.02448	1.8
135.08167	2.5
137.02448	5.1
138.03217	3.0
151.00385	4.3
161.09810	1.3
163.00392	1.5
163.11339	3.8
166.02728	21.3
168.91518	1.3
179.03510	15.5
191.03517	2.5
203.14507	6.0
205.12360	21.9
206.12714	1.6
207.10201	1.3
219.06654	3.2
223.13356	3.0
227.79126	1.5
233.08179	1.7
245.15396	3.0
247.13387	10.7
289.14487	5.1
289.18097	1.7
291.12402	43.6
292.12643	4.4
292.15686	1.4
318.13757	1.8
333.13416	100.0
334.13766	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	333.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96114	1.1
56.13529	1.0
59.01386	51.0
63.58491	1.1
64.03172	1.2
67.01887	1.9
69.72253	1.8
69.72606	3.5
71.01387	25.1
73.02946	1.3
80.02682	3.4
83.01379	2.0
85.02955	5.0
87.00890	1.5
89.02459	22.9
95.01393	1.9
99.01817	1.3
101.02460	15.1
108.02184	91.5
109.02467	1.6
111.00912	2.1
113.02439	9.2
119.03519	11.0
122.03738	2.7
135.04500	1.1
136.01674	100.0
137.02420	3.6
139.11308	4.6
147.04533	1.2
150.03230	5.4
152.01117	5.3
153.09230	10.6
161.04573	1.3
162.03223	1.2
162.06857	2.1
171.10260	2.3
175.03976	7.2
180.00645	16.8
185.06017	1.2
189.05563	1.8
190.06403	10.6
201.11354	9.8
221.84109	1.3
289.14481	50.1
290.14862	3.3
333.13489	95.8
334.13492	9.0
349.26123	1.2
350.16058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
56.13486	0.8
57.03446	2.8
58.00589	1.3
59.01385	97.2
60.01706	1.2
68.19742	0.8
71.01388	45.9
72.99286	1.3
73.02960	4.4
80.02692	1.1
83.01392	4.8
85.02959	10.5
87.00889	1.8
89.02453	34.1
95.01395	3.4
99.00884	1.9
101.02454	28.8
107.12065	0.8
108.02179	44.8
111.00882	1.4
113.02454	14.2
114.14651	0.8
119.03505	14.4
122.03784	1.1
125.02402	1.7
131.03549	1.5
136.01671	46.0
137.02332	1.2
139.11307	2.2
143.03448	1.7
150.03241	1.6
152.00072	0.9
152.01187	2.8
153.09227	27.1
154.09514	1.1
161.04588	1.2
171.10254	3.8
175.04034	2.5
175.30559	0.9
180.00670	7.7
185.43668	0.9
189.05501	1.4
190.06317	3.5
194.83244	1.0
201.11345	7.8
224.55733	0.9
289.14465	22.8
290.14810	1.1
333.16086	100.0
334.05875	0.9
334.16425	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	333.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07111	0.7
55.27484	0.7
57.03455	1.4
58.00598	1.5
59.01384	100.0
60.01724	1.6
67.92538	0.7
71.01390	46.0
72.01723	0.7
72.99319	1.7
73.02959	0.8
83.01408	2.0
85.02957	8.9
87.00908	2.0
89.02455	56.3
95.01406	3.8
96.96019	0.8
98.21799	1.8
101.02453	28.6
107.01441	0.9
113.02460	19.7
119.03513	24.3
119.04328	1.2
124.01686	2.6
125.02503	0.9
131.03534	1.8
137.02452	1.1
139.04034	1.2
141.09195	0.8
143.03587	2.0
149.04622	1.3
150.03320	1.4
150.42827	0.7
153.09230	45.8
154.09552	1.8
161.04564	1.5
163.00499	0.9
179.05606	4.5
255.27074	0.7
289.14807	0.7
301.03574	1.7
333.06461	0.8
333.09961	0.8
333.16074	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	333.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	48.3
63.22596	1.3
69.48959	4.8
71.01398	7.0
72.04549	1.3
73.02951	3.7
74.93620	1.3
83.05039	1.4
85.02956	4.8
89.02435	4.1
91.04053	1.6
98.21848	2.3
101.02443	6.8
106.91187	1.1
111.08172	2.2
113.02483	2.9
119.03553	1.4
137.09747	11.0
153.09296	1.3
155.10797	100.0
156.11125	2.2
161.04607	1.6
171.10280	27.7
181.08752	2.9
199.09782	20.9
201.11288	2.1
215.12947	1.5
217.10809	36.4
218.11150	2.3
259.11990	1.9
273.13422	20.6
274.13733	1.5
291.14529	82.7
292.14755	3.8
333.15665	30.3
333.19446	2.8
334.17761	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05522	0.9
55.01876	1.1
57.03436	1.6
59.01386	30.8
64.03198	1.3
67.01901	3.8
69.65775	3.7
71.01385	12.2
73.02934	2.3
77.16246	1.0
80.02672	4.7
83.01391	1.6
85.02942	3.1
87.00895	2.8
89.02451	9.5
95.01369	1.5
101.02451	10.2
105.08232	1.1
105.10141	0.9
108.02187	92.4
109.02509	1.7
111.00842	1.5
111.08117	1.0
113.02456	5.3
119.03506	4.9
122.03730	2.1
134.03757	1.4
136.01677	100.0
137.02049	2.2
139.11307	15.0
140.01112	1.1
150.03214	4.2
152.01154	4.0
153.09213	9.5
161.04678	1.1
162.03172	2.8
171.10272	2.8
175.04002	3.3
176.01125	1.6
180.00687	14.2
183.10252	7.3
189.05550	3.4
190.06358	3.7
191.03441	1.4
201.11351	41.8
202.11723	1.9
203.07104	2.5
203.11041	2.0
207.66847	1.0
210.08873	1.2
235.30225	1.2
289.14484	51.0
290.14813	4.5
328.13956	1.1
333.13013	90.2
333.19394	6.8
334.13409	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	333.1921
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
55.01868	0.3
57.03433	0.4
58.00594	0.7
59.01110	0.5
59.01381	4.1
69.03430	0.4
69.62801	0.6
69.63187	0.6
71.01379	1.1
72.68314	0.3
73.02959	1.7
83.05021	1.6
85.02951	0.4
85.06590	2.3
87.04508	0.6
89.02452	0.7
95.05047	1.6
97.02966	0.4
97.06609	2.8
100.67788	0.3
101.02490	0.4
107.05036	1.6
108.02178	2.1
109.06609	3.0
111.08164	2.4
113.06111	1.1
113.09776	1.6
115.07674	2.8
118.61478	0.3
123.08167	3.8
124.05344	0.4
125.06091	5.7
125.09720	1.0
127.07690	1.0
133.02968	0.7
136.01668	2.2
137.06056	0.5
139.07664	0.9
141.09233	5.0
143.10754	0.4
145.08717	4.4
153.09229	2.9
155.10785	2.1
161.02429	0.5
167.10695	0.4
170.09502	0.5
171.10248	1.3
174.09035	2.3
185.11900	0.3
191.14369	0.6
199.09720	0.4
201.10153	0.5
209.15549	0.5
212.04764	1.0
221.15448	1.0
231.13887	0.6
233.15570	1.5
249.14993	1.0
251.16536	1.1
261.96664	0.3
269.17563	0.9
271.06009	0.3
289.11789	0.8
289.14545	1.1
315.18192	0.4
331.17673	0.9
333.06097	1.2
333.19202	100.0
334.13660	0.4
334.19537	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	334.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
58.00595	1.7
59.01386	100.0
61.87740	1.3
71.01392	26.5
72.99323	3.5
73.02956	1.8
83.01395	40.5
85.02955	1.6
87.00906	2.9
89.02455	29.2
91.73206	1.3
99.00889	52.7
100.01235	1.9
101.02423	2.2
104.05066	1.9
113.02470	2.6
115.00362	2.1
117.01953	21.4
131.03789	36.3
132.04607	26.4
139.11334	3.7
140.11630	2.8
144.04633	1.3
145.01457	2.1
146.02527	10.3
147.03282	39.0
148.01721	1.4
159.03249	2.3
160.04071	10.0
162.01967	2.1
162.05624	65.2
163.05942	3.4
174.05626	4.2
178.05072	9.9
181.96339	1.4
188.03549	30.3
191.02231	3.0
201.11391	5.4
202.05185	9.2
202.11726	9.5
206.04637	13.9
234.04224	4.6
246.04105	4.8
274.03641	3.5
288.05066	1.9
306.06165	6.2
333.19244	1.9
334.05716	75.7
335.06140	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	335.0516
Annotation	2,2-Bis(4-hydroxyphenyl)hexafluoropropane
Peak:m/z	Relative Intensity
56.72871	0.4
59.01356	0.9
59.06009	0.4
61.98811	0.5
66.86781	0.4
68.99574	13.4
69.74368	1.6
96.95426	0.5
106.11236	0.5
111.02527	3.2
128.00656	0.5
138.25726	0.4
156.44957	0.4
161.02216	1.8
166.25742	0.5
169.04666	0.6
170.88335	0.5
177.03461	1.8
192.95886	0.5
195.04555	0.8
197.04106	2.8
208.83025	0.5
215.05109	0.7
217.04749	0.5
225.03673	3.1
244.03477	2.7
245.04214	4.2
265.04831	100.0
266.05173	7.1
275.03336	0.5
295.03793	0.7
315.04678	1.1
335.05142	36.0
335.13855	1.1
336.05627	2.6
354.97849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23054	2.4
59.01387	100.0
71.01383	33.1
71.04987	2.9
73.02933	4.9
83.01406	4.3
83.05057	4.2
85.02968	7.1
87.00889	5.1
89.02454	36.3
93.03465	51.3
94.03839	2.3
95.01408	2.5
95.40778	2.7
98.21810	5.1
101.02464	16.4
101.73310	2.1
111.04554	4.1
113.02476	18.0
115.03999	3.3
119.03533	12.9
131.03508	4.9
137.02461	96.4
138.02812	3.3
154.54391	2.2
155.03517	2.2
155.07172	3.4
161.04588	3.1
174.99094	7.0
178.56860	2.3
179.05667	4.4
192.05182	2.2
208.79128	2.5
217.00151	6.3
275.04385	4.1
275.07669	2.4
299.07785	5.6
335.09885	3.7
335.13489	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53219	0.7
57.03450	13.9
58.06479	0.7
59.01386	14.7
59.20211	0.6
66.16137	0.7
71.01387	8.5
73.02948	2.8
74.02461	0.6
77.03985	0.7
77.50297	0.7
81.03459	1.2
83.01382	2.8
85.02959	3.4
87.00885	0.7
89.02447	5.3
92.68839	0.6
93.03471	3.8
94.03824	0.7
95.01400	2.7
96.96028	1.6
97.02954	2.9
99.00904	0.9
101.02451	6.5
105.03479	1.2
109.02936	3.5
113.02454	5.3
119.03513	2.3
120.02238	1.2
121.02969	7.3
123.00924	1.2
125.02459	100.0
126.02785	2.8
131.03525	0.7
133.02953	1.4
136.01697	0.8
137.02464	13.3
138.02800	0.8
139.04045	0.8
149.02446	7.0
151.04027	0.9
161.02461	0.9
161.04570	2.3
161.06010	0.8
163.00398	1.4
164.01158	9.5
165.01945	36.0
166.02330	1.1
175.57719	0.7
177.01945	67.3
178.02325	2.2
179.03497	0.8
191.03549	0.9
195.03061	1.1
197.04567	15.9
198.04994	0.7
203.12897	0.8
245.66873	0.6
275.07761	1.0
303.05121	3.2
335.08011	2.6
335.17099	3.7
335.20660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0775
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
50.84840	0.4
55.01862	0.6
57.03448	1.2
59.01380	5.3
61.35448	0.5
65.00329	0.6
71.01394	3.4
71.05045	1.3
73.02952	3.1
74.07355	0.5
81.03455	2.0
83.01396	1.8
83.05037	2.6
85.02955	2.1
87.00917	0.6
89.02454	1.2
89.03965	0.7
93.03465	13.0
99.00893	1.2
99.04536	0.5
99.08166	5.2
101.02475	3.7
107.05022	1.5
108.02175	0.7
109.02956	2.3
111.04537	4.1
113.02449	1.5
117.03448	0.8
119.05035	0.7
123.00835	0.8
123.04493	1.0
125.02450	2.5
127.07645	1.9
127.11276	0.6
129.05617	0.9
129.09183	0.8
130.06628	2.0
133.02983	8.1
134.03770	5.7
135.04536	100.0
136.04860	4.3
137.02454	6.0
151.00352	0.9
151.03990	0.6
153.01924	3.2
155.03508	1.9
155.10844	0.9
157.12379	2.9
161.02458	25.5
161.04492	1.0
162.02805	1.1
165.01932	1.3
167.03513	1.3
173.04546	2.1
175.03987	0.6
179.03510	83.1
180.03828	3.2
181.01422	1.2
203.12912	11.0
204.13130	0.9
208.99173	0.6
235.13472	0.6
292.11844	2.5
317.02979	1.1
319.50558	0.6
335.04520	1.1
335.07736	22.0
335.17041	0.8
335.20773	13.1
336.07932	2.1
336.21225	0.8
350.01132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01388	25.6
71.20555	3.9
71.32363	2.0
85.02977	4.8
86.49159	1.8
88.52776	1.9
89.02454	39.1
101.02464	12.4
113.02480	11.3
119.03497	10.1
131.03563	2.6
143.03551	2.3
146.40744	2.2
179.05692	3.4
241.17720	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	335.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93975	1.7
59.01383	100.0
69.82784	6.3
71.01392	28.9
75.51127	1.7
85.02950	4.6
89.02449	39.7
95.01315	1.7
95.48326	1.8
95.57784	1.6
96.28452	1.4
101.02448	9.9
113.02467	10.8
119.03503	15.9
143.03474	2.5
149.04475	2.0
161.04623	2.2
179.05644	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	335.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18191	0.7
59.01387	7.2
64.50994	0.5
69.42574	3.0
71.01402	2.8
73.02981	0.8
73.24306	0.6
80.05080	6.0
83.01403	0.6
85.02982	1.1
89.02467	0.7
92.05085	2.5
94.03030	0.9
94.06638	14.6
98.21944	1.4
101.02465	1.0
103.69447	0.6
107.03784	5.2
108.04573	14.6
109.05376	0.8
110.06149	2.9
113.02469	2.1
113.06139	0.9
120.04582	10.3
121.05357	2.2
122.02510	3.3
122.06148	3.2
124.04063	1.0
124.07703	7.8
132.04564	1.0
136.04063	1.8
138.05632	8.0
139.05972	0.7
147.03290	0.7
148.04092	6.0
149.04976	0.9
150.05624	8.3
152.07216	1.2
154.05121	0.9
162.05626	1.9
165.04453	1.4
166.05119	99.4
167.05443	3.2
173.35431	0.6
180.03224	1.0
182.04649	2.6
182.59868	0.7
194.04594	5.8
210.04109	100.0
211.04453	4.5
215.12030	3.7
273.12512	1.2
275.07809	1.1
291.12683	1.3
293.08911	0.8
317.11465	2.5
335.12625	15.4
335.16974	1.9
335.20731	1.4
336.07333	1.2
336.12814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03452	13.8
59.01384	17.1
60.02742	0.9
62.81919	1.1
71.01398	6.1
72.99307	1.4
73.02931	1.3
74.34684	1.0
75.00887	1.5
83.01411	2.4
84.02172	1.6
85.02957	100.0
86.03306	2.4
86.14155	1.0
87.00869	1.5
89.02467	3.6
101.02465	2.9
103.00410	1.8
105.38331	1.2
111.00900	4.1
112.59131	1.2
127.11233	2.0
129.01959	10.5
143.10797	3.7
147.03004	8.9
151.47307	1.1
164.85159	1.1
171.94101	1.0
173.00972	1.8
173.11838	4.4
191.01985	24.5
211.13416	1.3
265.04843	1.9
335.13559	2.0
335.17181	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	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09694	0.8
55.01891	2.1
57.03448	11.8
59.01381	17.1
63.30841	0.8
68.99819	0.9
69.48817	1.7
69.49203	2.3
71.01368	6.2
72.99299	1.7
73.02986	0.8
75.00871	1.4
83.01401	2.3
84.02174	1.6
85.02956	100.0
86.03268	1.1
87.00896	1.3
89.02448	3.7
98.21938	1.2
101.02448	3.3
103.00380	2.2
111.00886	4.3
113.02431	1.8
119.03456	1.7
127.11291	4.6
129.01959	8.9
143.10774	3.7
147.03000	9.6
155.10744	1.1
173.00929	1.4
173.11830	9.7
186.58585	0.7
191.01991	26.1
192.95821	0.9
292.46365	0.9
335.13434	1.7
335.17117	11.4
336.17374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40233	0.7
55.01879	1.4
57.03452	2.2
58.00582	1.3
59.01386	100.0
62.72328	0.9
65.09367	0.7
66.24818	0.8
71.01392	42.8
72.99315	2.6
73.02937	2.4
83.01400	2.5
83.05038	7.4
85.02959	8.7
87.00879	2.2
89.02455	42.1
95.01395	3.4
97.97559	0.8
99.00882	1.1
101.02452	28.0
109.02975	0.9
111.04500	4.5
111.08177	1.6
113.02466	17.4
114.02778	0.9
119.03517	21.1
127.07587	0.9
131.03517	3.2
137.02501	1.2
141.97168	0.9
143.03511	1.2
149.04538	0.9
155.03506	4.8
155.07181	4.2
161.04567	2.0
173.08252	5.2
173.09523	0.8
179.05646	3.7
217.27740	1.0
251.48689	0.8
275.07782	3.1
298.75861	0.9
317.08780	2.6
335.13507	65.9
336.13773	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	335.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90607	0.7
55.01894	1.6
57.03464	1.2
58.00595	1.1
59.01384	100.0
60.01723	1.4
65.10256	0.6
69.08368	1.7
69.08794	3.1
71.01388	43.4
72.01757	0.8
72.99316	1.5
73.02939	3.2
83.01404	3.0
85.02956	7.5
87.00869	1.2
89.02454	39.3
90.02753	0.8
95.01403	3.3
97.91210	0.7
101.02453	27.3
112.26952	0.7
113.02460	15.2
119.03524	16.4
131.03511	1.7
136.01692	0.9
143.03506	1.1
149.04614	0.7
155.10788	21.2
156.10988	0.8
161.04625	0.8
172.05321	0.8
173.11824	7.5
179.05695	0.9
200.89969	0.7
293.08960	1.0
335.17151	96.6
336.17520	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	335.1768
Annotation	4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one
Peak:m/z	Relative Intensity
59.01389	2.2
61.98839	3.2
69.22698	1.6
69.49058	6.1
75.79126	1.8
92.92788	2.4
111.25043	1.7
116.92887	2.8
119.25620	1.9
119.94738	2.3
127.89063	1.8
132.19098	1.7
148.34753	1.9
171.35486	1.5
255.96448	2.4
335.17694	100.0
336.18045	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	335.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24390	0.3
57.03442	0.6
58.00591	1.3
59.01383	3.4
66.20470	0.3
71.01376	1.0
71.05021	1.4
73.02950	6.7
73.11681	0.3
81.03436	0.5
83.01337	0.4
83.05019	2.3
85.02934	0.5
85.06601	1.4
87.89128	0.3
89.02458	0.6
95.05018	0.9
97.06583	1.1
99.04531	0.6
99.08140	0.4
101.06117	1.8
109.83064	0.3
111.04533	0.4
111.08232	0.3
113.06108	0.9
123.04531	0.8
123.08143	0.8
125.02538	0.4
125.06096	0.6
125.09733	0.9
127.11330	1.7
131.07167	3.4
134.67847	0.5
139.11302	0.7
147.08286	0.4
155.10794	6.6
156.11093	0.4
157.12352	0.5
161.08160	0.5
167.10773	1.6
167.57729	0.4
179.03493	0.4
185.11792	3.9
193.16022	0.5
199.13437	1.6
209.15465	1.8
218.08563	0.3
231.16028	0.4
235.17039	0.4
248.38573	0.4
251.16547	0.4
269.17471	0.9
279.79456	0.4
287.18710	3.8
288.18832	0.6
289.20322	1.0
291.16074	0.5
317.19766	1.1
333.19162	0.7
335.20767	100.0
336.21106	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	335.2232
Annotation	18-Hydroxygrindelic acid
Peak:m/z	Relative Intensity
50.06298	3.7
53.81860	4.4
55.75508	3.5
57.03454	6.9
58.00591	6.6
59.01373	20.9
60.27256	5.6
61.98837	5.5
69.19675	26.1
77.67586	4.2
83.05037	5.8
97.06618	7.9
146.75967	4.0
170.88379	5.5
192.95807	9.5
219.06526	6.7
261.22214	99.1
262.22467	8.4
273.22235	95.1
274.22552	9.4
289.21741	18.8
291.23270	25.6
335.15268	11.9
335.18625	9.0
335.22253	100.0
336.22565	11.4
340.58081	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	336.073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55486	17.6
61.98834	100.0
63.21209	16.9
71.41647	23.8
96.96014	18.8
127.34955	18.7
218.82343	19.0
233.78944	19.3
336.15308	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57740	3.9
56.13689	4.0
57.87198	3.9
59.01389	21.9
61.98836	6.0
63.76542	5.1
81.99107	13.8
91.54887	4.5
95.16276	4.4
105.99120	100.0
123.29394	4.4
124.00184	44.5
184.66808	4.4
222.88737	4.3
232.79234	4.7
271.22653	10.9
294.24536	4.4
336.21579	98.3
337.21817	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	336.2184
Annotation	(+)-Restricticin
Peak:m/z	Relative Intensity
53.61847	1.4
58.37447	1.5
60.99316	2.1
65.79506	1.6
66.99290	1.4
69.57447	3.5
69.57851	5.2
72.00925	3.6
72.04549	5.8
74.02483	100.0
80.30524	1.3
96.96059	1.6
104.03551	28.4
129.44662	1.5
170.64206	1.8
177.26149	1.5
198.79327	2.0
231.17532	3.0
260.20251	2.0
261.55978	1.5
262.21729	4.3
274.21704	8.8
288.19696	10.6
306.20770	53.2
307.21155	4.0
336.21863	54.9
337.22073	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	336.9401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48385	0.4
59.01387	1.1
61.98826	0.4
63.09074	0.4
63.27021	0.4
65.43516	0.4
67.88867	0.4
70.18385	0.5
71.38098	0.5
84.33851	0.5
84.87771	0.4
87.02382	0.5
96.96001	0.5
102.84483	0.4
119.93769	1.8
134.96100	31.6
135.91495	0.5
135.96202	1.9
136.94023	77.2
137.94083	4.3
151.25417	0.4
151.92717	4.1
152.91780	35.3
153.59485	0.4
167.90506	3.3
171.55951	0.4
178.95076	100.0
179.95178	6.6
192.95898	0.8
194.92824	51.7
196.95956	0.6
208.92961	0.6
210.90829	1.6
212.93877	2.9
238.87846	0.4
247.87068	2.2
248.37144	0.6
248.87109	0.9
250.93909	2.4
252.91873	2.9
256.87714	7.9
257.87854	1.3
274.88776	17.8
275.88898	2.4
287.85065	3.0
288.35086	2.1
288.84988	1.5
292.56375	0.5
292.95010	9.6
293.95282	1.1
294.92911	16.9
295.93073	0.8
336.83316	3.5
336.94000	69.1
337.94150	6.9
354.84344	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	337.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78471	0.6
52.34102	0.5
57.03453	0.9
59.01387	11.6
60.99327	0.7
67.01900	4.0
69.03473	1.5
69.31239	0.6
71.01391	8.0
71.27742	0.8
72.99325	1.6
73.02944	2.1
75.00857	0.7
81.03467	1.0
83.01402	5.3
83.05035	0.7
85.02962	6.6
85.06605	2.3
87.00886	12.2
87.01385	0.8
89.02466	2.8
93.03471	22.5
94.03784	0.8
95.01365	0.7
99.00898	8.0
99.04542	1.0
101.02448	3.5
107.05078	0.9
108.02208	0.9
109.02971	13.1
111.00903	1.0
111.04559	4.2
113.02481	2.4
113.06124	0.7
114.99579	0.8
115.00385	14.1
115.04009	1.0
119.03527	1.0
119.05040	9.0
121.06626	3.4
123.04518	0.7
125.02476	0.7
127.00404	0.9
127.04039	1.7
129.01971	1.5
131.05074	1.1
133.02969	6.9
134.03818	0.9
135.04558	6.3
137.02469	0.9
145.02968	4.2
146.03796	1.5
147.04535	7.2
148.05322	4.4
149.06099	82.7
150.03168	0.8
150.06406	3.3
153.01988	1.0
154.13425	0.6
155.03516	0.8
157.01456	0.6
159.03032	1.3
159.04538	1.8
161.02467	21.7
161.04556	1.2
161.06059	3.5
162.02837	1.1
163.04042	12.2
165.05597	4.7
173.04581	12.7
173.06041	1.3
174.03276	2.1
175.02493	7.3
175.04028	12.1
177.01958	12.2
177.05583	0.9
179.03506	2.7
187.04118	1.2
189.05595	5.1
191.05635	100.0
192.04309	0.8
192.05975	2.6
193.05086	11.6
201.05630	0.7
203.03506	1.4
203.07210	1.0
205.05064	2.9
206.02249	2.3
219.03000	22.0
220.03374	1.0
231.06549	1.5
233.04559	10.8
234.04771	0.9
237.04071	41.5
238.04364	2.6
249.07614	3.5
275.05542	1.8
277.00412	1.5
277.03598	4.3
288.87958	0.6
293.06711	4.4
319.04532	2.3
337.05566	6.8
337.09506	2.6
337.15033	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	337.07
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57290	8.7
59.01384	100.0
61.98824	40.9
69.69346	32.6
71.01389	50.1
71.05022	17.1
74.34003	8.6
85.02948	11.0
89.02438	34.0
90.91599	8.4
93.03466	11.2
101.02458	23.6
113.02438	18.4
113.85213	7.7
115.04015	28.8
119.03494	29.5
129.69948	8.4
132.04572	16.3
136.69565	7.7
137.02458	10.1
139.04004	9.9
140.03539	8.4
156.70865	9.2
161.65395	10.5
175.09752	21.4
176.03534	18.7
294.93921	12.4
336.94489	9.2
337.15030	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	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51889	1.2
59.01378	9.9
60.44861	1.0
60.99308	1.9
61.40125	1.2
67.01893	4.4
69.03459	1.9
71.01392	8.8
71.08417	1.7
73.02978	1.5
85.02970	7.9
85.06599	50.7
87.00903	7.3
89.02448	4.1
93.02883	1.9
93.03470	38.7
101.02479	2.7
109.02950	2.2
111.00914	1.1
111.04556	6.9
113.02468	3.3
113.06097	9.5
115.04023	10.0
119.05035	20.3
122.11606	1.1
124.87931	1.2
127.04026	2.1
129.01935	1.3
129.05603	2.2
135.04536	1.6
137.02475	3.3
150.03293	1.1
155.03490	3.5
157.05083	2.5
158.36368	1.2
161.04599	1.5
163.04022	21.9
173.04568	73.9
174.04889	2.3
189.07730	3.2
191.05630	100.0
192.05984	4.7
337.09286	5.7
337.14789	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03457	0.5
59.01387	5.5
67.01897	0.6
71.01381	2.8
83.05032	1.3
85.02955	4.5
87.00879	1.2
89.02454	0.9
93.03465	5.9
101.02478	1.1
111.04568	2.8
113.02473	0.7
115.04012	1.9
119.05042	65.3
120.05376	2.3
127.04020	1.6
132.04556	2.5
135.90176	0.5
139.04010	0.8
145.02936	0.8
155.03517	2.5
157.08708	0.5
163.04030	100.0
164.04385	4.5
173.04572	6.1
176.03561	2.2
189.83160	0.6
191.05637	46.6
192.05965	1.3
221.78935	0.6
235.53839	0.5
319.73904	0.6
337.09320	3.9
337.15054	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
54.08500	0.2
57.03455	0.3
59.01387	1.4
59.70111	0.2
60.99311	0.3
67.01875	0.9
69.03459	0.6
69.17619	1.7
69.65231	0.2
71.01387	0.9
73.02958	0.2
83.05025	0.4
85.02956	7.4
86.29652	0.2
87.00886	2.3
89.02451	0.4
93.03472	5.9
94.03795	0.3
101.02443	0.3
109.02943	0.7
111.04542	1.7
113.02539	0.3
116.92871	0.8
119.05051	2.3
127.04028	1.9
145.02957	0.9
155.03514	0.4
163.04053	2.6
171.02992	0.2
173.04549	2.1
175.86794	0.2
175.97432	0.2
183.91896	0.3
191.05629	100.0
192.05954	3.5
201.96782	0.3
253.39749	0.2
260.16565	0.2
337.09326	1.8
337.15109	0.4
338.09689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03458	0.5
57.92284	0.6
59.01385	3.6
60.99292	1.1
67.01899	5.2
69.03456	1.3
69.40666	2.0
69.41075	1.1
71.01405	3.7
78.91503	0.5
81.03445	1.8
83.05008	0.9
85.02953	6.0
85.06598	43.4
87.00877	6.0
93.03464	33.0
94.03827	1.0
99.00879	0.6
99.04486	0.9
101.02491	0.6
109.02961	1.4
111.00896	1.0
111.04517	5.7
113.02498	0.8
113.06098	8.8
115.04015	7.0
119.05042	18.4
127.04004	1.5
129.05597	1.7
137.02448	1.9
145.02940	1.3
145.39650	0.6
155.03535	2.9
157.05066	2.0
163.04025	14.1
173.04562	49.8
174.04921	1.7
189.07745	2.9
191.05626	100.0
192.05988	4.1
270.21255	0.7
337.09326	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	2.3
71.44707	1.1
76.13966	0.8
77.07947	1.0
78.06944	0.8
85.71420	1.0
96.96007	1.2
107.00173	0.8
118.56464	0.8
145.02969	1.9
157.57182	0.8
162.03294	1.5
164.37276	0.9
169.02959	1.0
171.04555	1.4
177.05658	2.9
180.05840	0.8
195.08073	2.3
205.06676	1.2
206.07402	2.3
207.08133	5.7
208.05397	1.6
209.06113	1.0
217.06699	1.7
222.06889	1.4
223.07593	5.9
233.06010	1.9
234.06871	3.4
235.04037	2.8
235.05399	0.9
235.07658	11.6
236.08025	1.4
237.05652	2.8
245.06111	1.0
249.05598	1.0
250.06343	2.3
251.07182	11.8
261.05634	2.7
262.06308	1.6
263.07135	7.0
264.07764	1.7
266.09601	4.0
278.05823	4.9
279.06653	79.6
280.06976	6.9
289.05234	1.3
290.05881	3.2
291.06662	29.0
292.07281	10.9
293.08170	3.7
294.09009	7.8
305.08163	4.0
306.05453	1.5
306.08990	22.7
307.06171	100.0
307.09525	7.0
308.06558	8.2
321.07675	10.0
322.08487	56.0
322.12332	1.7
323.08804	6.1
337.10855	45.2
338.11188	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	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93819	0.5
55.93880	0.5
59.01384	14.6
69.48119	2.4
70.10932	0.4
71.01387	6.9
72.99303	1.0
73.02961	1.8
75.00883	0.6
75.89046	0.5
83.01403	1.5
85.02962	2.3
85.06600	100.0
86.06932	2.7
87.00885	2.2
89.02461	5.8
93.03484	0.6
98.22657	0.9
99.00890	1.8
101.02454	4.4
109.02970	1.8
113.02483	2.1
113.06104	21.6
114.06422	0.7
115.00391	3.3
115.03207	0.7
115.04021	14.7
119.03522	2.4
119.05055	0.7
121.06636	0.6
125.02461	0.6
129.05594	5.9
131.05060	0.5
131.29115	0.5
133.02988	1.5
135.04564	1.3
138.05606	0.8
138.12616	0.5
139.95290	0.5
145.02972	0.6
147.02988	0.9
147.04549	1.5
148.05350	0.8
149.02422	0.5
149.04878	1.1
149.06104	17.6
150.06435	1.0
157.05081	5.0
159.03160	0.5
161.02480	5.2
161.04567	1.2
161.06059	0.9
163.04057	2.0
165.04141	0.7
165.05586	0.9
174.03275	0.8
175.02484	2.0
175.04045	3.4
177.01949	3.1
179.03529	0.8
189.05887	0.7
189.07713	15.3
191.03717	0.5
191.05663	2.0
193.05188	2.6
219.03008	5.0
233.04599	2.1
237.04091	8.8
238.04419	1.0
277.03528	1.7
293.06674	1.3
337.05655	1.2
337.11304	1.0
337.14993	7.3
337.18625	0.9
338.15689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74963	0.4
55.58338	0.4
56.27684	0.4
57.74533	0.4
59.01389	6.4
59.05152	0.3
65.52104	0.3
69.24043	2.4
71.01388	2.6
73.02965	0.5
76.11883	0.4
85.02961	0.9
85.06598	100.0
86.06928	2.4
86.72823	0.4
87.00895	1.3
89.02431	1.9
96.18094	0.3
99.00904	0.6
101.02470	2.1
109.02991	0.4
113.02455	1.1
113.06104	22.6
114.06462	0.9
115.00421	0.7
115.04025	18.0
119.03513	0.8
129.05585	5.6
133.02940	0.5
135.66743	0.4
136.07706	0.5
147.03021	0.8
147.04552	0.5
149.06084	3.8
157.05078	6.2
161.02470	0.7
163.03983	0.4
165.04150	0.5
175.02606	0.5
175.04059	0.5
177.02036	0.5
189.07701	14.1
190.08063	0.7
191.05542	0.5
193.05087	0.6
212.68187	0.4
219.02992	1.0
233.04593	0.6
237.04005	2.2
251.45659	0.4
269.18436	0.4
337.11249	1.0
337.15109	3.0
337.18515	0.7
342.57861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03466	0.5
59.01390	2.8
67.01893	2.4
69.71053	1.0
69.71438	1.2
70.60491	0.4
70.71148	0.4
71.01373	3.0
73.02942	0.8
77.87827	0.5
83.04989	0.4
83.70259	0.5
85.02965	2.1
85.06598	100.0
86.06928	2.5
87.00883	2.7
89.02448	0.8
93.03474	10.1
93.04031	0.8
99.00847	0.5
101.02461	0.9
109.02974	0.6
111.00900	0.5
111.04527	2.4
112.53345	0.5
113.06099	22.5
114.06476	0.6
115.04023	16.4
119.05046	5.5
127.04068	0.6
129.05574	5.6
137.02510	1.2
145.02966	0.8
147.03030	0.7
155.03528	1.1
157.05063	5.8
163.04027	5.3
173.04562	24.8
174.04890	0.9
189.07715	8.3
191.05627	31.7
192.05946	0.9
337.09167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	57.2
61.98817	2.7
67.70707	1.5
69.98371	3.4
71.01390	18.4
71.05025	4.7
73.02956	2.2
79.91873	1.3
83.01395	2.7
85.02956	5.7
87.00876	2.3
89.02452	15.8
89.02959	1.9
93.03455	5.7
95.01388	2.0
99.08160	4.4
101.02447	16.8
111.04533	2.6
113.02457	9.6
115.04018	3.4
119.03583	7.9
119.05032	32.6
129.09219	18.8
137.02461	1.7
143.03473	1.6
155.03455	1.3
157.08672	4.7
161.04535	1.5
163.04022	52.9
163.05394	2.8
164.04314	1.6
169.90527	1.5
171.10223	1.3
173.04568	3.9
175.08229	2.5
175.09763	49.0
191.05634	25.2
194.95441	1.6
217.10739	2.8
336.61963	1.5
337.15057	100.0
338.15356	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	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03462	0.9
58.00608	1.3
58.02974	2.3
59.01387	100.0
60.01703	1.1
71.01390	45.1
71.05061	0.7
72.99329	1.7
73.02962	1.8
75.00883	2.8
80.43652	0.7
83.01406	2.6
85.02963	9.1
87.00896	2.0
89.02454	40.3
92.15020	0.8
93.03471	2.2
95.01408	3.6
96.11656	0.7
99.00887	1.0
101.02453	27.1
113.02467	15.1
113.09766	1.3
115.00407	0.8
116.92886	1.5
119.03516	18.3
119.04980	0.6
131.03514	1.9
138.42708	0.8
143.03532	2.4
149.00919	1.0
149.04565	1.5
157.08727	1.8
161.02451	0.7
161.04594	1.8
163.04053	0.8
173.04620	1.2
175.09846	1.7
179.05682	2.9
184.04152	1.1
191.05635	19.4
192.05859	0.8
201.04289	0.6
206.08307	1.0
215.02225	12.1
216.06691	3.0
222.99196	0.7
230.04611	8.2
237.06187	1.6
337.15070	73.3
338.15280	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	337.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96405	0.5
61.98822	1.4
69.40556	2.5
88.56314	0.4
90.74068	0.4
95.36834	0.4
114.27226	0.6
118.87422	0.5
132.04535	1.1
147.03281	0.9
148.04047	1.0
151.37378	0.6
156.37843	0.5
160.04047	4.2
161.04803	1.0
172.04028	0.8
173.04703	1.5
175.02759	6.4
182.06255	0.7
184.07664	1.1
185.08220	0.6
188.03549	3.2
189.04262	2.0
194.06111	1.1
195.06918	0.7
196.07704	1.0
197.04860	2.3
198.01993	5.4
198.05618	7.2
199.02756	47.4
200.03583	9.6
201.04253	2.2
210.05632	1.2
211.06264	1.2
212.03554	2.1
212.07181	18.7
213.04402	1.3
213.07863	4.8
221.03293	0.7
223.06367	2.1
224.07144	2.9
225.04294	1.2
226.05099	29.0
227.05850	13.9
228.06412	1.1
240.06680	16.8
241.07449	60.9
242.07913	3.7
257.74371	0.5
282.14954	2.2
295.12219	1.6
310.14502	100.0
311.14844	9.5
337.15591	35.7
337.22025	0.6
337.23755	0.7
338.15872	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	337.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67853	1.4
59.01372	1.8
60.96075	1.3
61.98832	3.9
70.84522	1.7
83.05013	1.3
83.94200	1.5
87.37065	1.2
91.04110	1.4
91.35237	1.3
143.03737	1.9
144.04562	21.5
159.03278	4.2
172.04108	2.0
183.03262	40.5
184.04054	33.2
185.04666	2.4
196.04021	2.6
196.07715	3.3
198.05574	2.1
210.05637	23.4
211.06371	26.3
222.09283	2.6
224.07120	3.4
225.07878	6.2
239.09460	3.1
310.14502	100.0
311.14844	11.6
337.15604	33.5
338.15771	2.1
350.15942	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	337.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97639	1.8
61.98855	2.3
63.40747	1.5
87.90022	1.7
90.27014	1.6
144.04568	2.9
159.03319	2.0
172.04050	2.6
182.06102	5.5
182.07593	2.1
183.03267	63.9
184.03899	5.4
196.04068	28.5
197.04420	2.1
210.05632	51.7
211.06396	95.2
212.06734	6.4
236.07129	4.8
243.05379	2.8
250.08669	3.3
252.10231	3.7
292.13361	2.4
299.59058	1.8
310.14529	100.0
311.14859	8.3
337.15576	30.5
338.15887	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2386
Annotation	Betaenone E
Peak:m/z	Relative Intensity
56.90122	1.2
59.01387	100.0
61.25291	1.2
62.76685	1.2
69.82445	3.2
98.22632	1.8
118.17638	1.2
168.72887	1.4
277.21783	6.1
289.80249	1.4
295.22833	39.9
296.23132	3.1
337.24051	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	338.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22926	2.1
56.30080	1.7
59.01387	28.5
60.01712	5.6
61.98835	100.0
70.50334	4.1
71.01387	3.0
79.55160	1.9
82.71092	1.8
89.02456	4.2
101.02448	2.1
111.02031	5.1
112.02385	3.0
113.02471	2.0
114.50117	1.8
115.03996	7.0
116.04362	4.9
176.38051	1.8
177.02011	2.2
214.82047	1.9
278.03430	7.6
278.09586	7.8
300.68756	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	338.0887
Annotation	6-hydroxyindole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
54.02801	0.5
54.56403	0.6
54.70813	0.5
58.01709	0.5
58.76379	0.5
59.01389	6.1
61.98841	3.0
71.01381	3.9
71.41901	0.8
73.04102	0.6
81.71203	0.5
85.02945	0.9
89.02441	2.7
91.67088	0.6
101.02438	1.6
104.05074	6.0
105.03477	0.6
113.02475	1.6
117.05560	2.7
119.03516	0.7
123.04504	0.6
131.03786	45.2
132.04572	100.0
133.02980	1.8
133.04915	3.7
146.06148	1.2
148.04059	1.2
158.02484	0.9
160.72658	0.6
175.02756	20.4
176.03546	90.0
177.01949	23.2
177.03825	3.7
191.05737	0.8
218.04639	1.3
238.15520	0.5
248.05630	0.6
338.08826	19.7
339.07294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01731	0.2
58.02984	1.9
61.98827	0.9
69.49415	0.6
72.54308	0.2
87.02636	0.2
95.05038	0.4
97.06569	1.0
98.21839	0.4
109.06666	0.2
119.15838	0.2
128.09869	0.4
128.10831	9.1
129.11140	0.3
130.08749	100.0
131.09093	2.7
147.08128	0.4
151.11273	0.3
159.52103	0.2
172.09831	0.7
177.01912	0.6
186.28897	0.2
207.10313	0.2
249.37619	0.2
280.07428	0.2
338.19751	37.0
339.20096	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39279	0.6
54.81716	0.5
57.62789	0.7
67.35674	0.5
70.64697	1.1
125.46966	0.5
146.19266	0.5
173.02505	0.7
189.01958	29.2
190.02409	1.2
193.13361	0.5
201.01959	33.5
202.02275	2.2
203.03484	1.3
215.03543	1.8
217.08253	0.6
225.05478	2.6
227.07162	9.5
228.04323	1.2
228.07556	0.9
229.05052	5.5
243.06627	9.5
244.07414	54.8
245.07755	4.3
254.85707	0.6
259.09763	100.0
260.10086	8.7
294.01712	5.5
339.05435	10.3
340.05841	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	339.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62296	1.4
73.74125	0.4
94.72800	0.5
107.72121	0.5
117.03461	0.5
117.38696	0.4
166.58424	0.4
176.01131	0.5
189.01944	28.0
190.02434	2.0
199.07744	0.6
201.01942	32.8
202.02356	2.7
215.03497	2.5
225.05490	2.2
227.05089	0.8
227.07137	8.8
228.04250	1.5
229.05072	4.6
243.06638	8.9
244.07411	48.9
245.07715	3.1
259.09753	100.0
260.10074	6.8
339.05414	8.4
340.05692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0724
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.03108	0.2
56.10538	0.2
56.85717	0.2
59.01376	0.5
59.76556	0.2
70.71443	0.3
74.28623	0.2
81.03460	0.5
89.03971	1.8
104.02695	0.6
105.03480	3.2
105.83601	0.2
133.02979	8.3
134.03291	0.3
134.76010	0.2
141.82646	0.2
148.01688	0.6
149.02461	0.7
167.05150	0.2
176.01181	1.4
177.01944	100.0
178.02287	4.5
243.99040	0.2
339.07224	10.2
340.07584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03467	0.2
57.36185	0.2
59.01381	1.6
63.10311	0.2
70.78162	0.3
71.01386	0.5
81.03460	0.4
89.03973	1.9
95.05038	0.3
104.02684	0.8
105.03467	3.5
111.00868	0.3
113.02533	0.3
114.22244	0.2
116.92913	0.2
121.02956	0.2
133.02969	8.9
134.03287	0.3
144.04588	0.4
148.01692	0.6
149.02505	1.0
163.04039	0.2
176.01175	1.3
177.01949	100.0
178.02307	4.4
238.67574	0.2
339.07239	9.9
340.07571	0.9
364.87970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14151	1.6
56.62229	1.7
59.01385	4.8
65.45717	1.6
69.33765	6.8
71.01387	36.2
72.99318	2.9
73.02946	2.0
78.51842	1.8
78.95906	2.0
79.09611	1.5
87.61189	1.6
89.02391	1.9
92.25908	1.4
96.96017	3.1
115.00386	31.2
127.48779	1.9
128.10785	2.0
130.08778	10.6
131.09071	1.9
133.01453	26.2
134.06097	4.9
135.11806	16.4
161.02483	2.3
177.01978	3.1
179.10786	100.0
180.11089	4.3
198.42438	1.9
217.67053	1.5
223.09750	24.3
224.10077	1.8
263.07098	6.2
281.08209	9.1
293.08020	3.4
308.10617	2.7
309.07700	23.4
310.08118	2.5
323.09338	3.4
324.09964	19.5
325.10248	2.1
338.19586	2.3
339.12210	11.8
339.18518	1.8
340.12674	2.2
341.41470	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	339.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38745	1.8
59.01383	86.8
63.11044	1.8
70.08543	4.8
71.01389	6.6
73.02956	5.3
73.07242	1.4
85.02945	2.5
89.02451	6.0
95.55840	1.6
98.21996	2.7
101.02457	7.3
113.02454	11.2
117.05590	100.0
118.05899	3.1
119.03490	5.0
122.38331	1.9
131.03508	1.6
159.06664	2.9
161.04649	2.4
177.01962	11.5
177.03253	1.6
191.05687	2.0
260.66400	1.9
280.56894	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	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	6.7
59.01382	27.8
68.66077	6.6
69.03441	10.2
69.62239	30.5
71.01411	7.1
71.05025	16.5
73.02950	7.5
81.03458	47.7
83.05032	40.4
85.02957	7.5
92.74329	6.3
94.12015	6.6
95.05046	11.2
97.02979	15.4
97.06570	10.6
97.07612	7.2
99.04539	89.1
108.02181	12.8
109.02943	9.3
109.06638	10.5
112.04079	8.4
121.02924	21.2
122.03728	21.5
123.04549	9.4
125.06104	7.0
125.09721	6.9
127.04028	10.2
137.06100	14.5
142.05075	6.6
148.04382	96.3
149.06094	23.5
167.07184	17.4
171.10262	68.5
177.01958	12.2
178.06406	17.4
191.14459	10.3
193.12376	12.8
199.13406	19.0
211.13448	11.3
235.13405	63.8
247.13506	9.6
249.11406	16.1
250.12115	15.4
253.14484	100.0
254.14735	15.6
258.73911	7.0
265.14511	9.0
285.15012	17.0
293.03293	13.1
303.16028	39.4
303.92126	6.8
317.62405	8.0
321.17133	36.6
340.15775	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.11578	0.3
53.47758	0.3
60.14480	0.3
69.65981	0.3
69.71333	0.7
92.24993	0.3
94.46938	0.3
95.78220	0.3
98.21837	0.4
107.04980	0.4
147.08127	0.5
162.96806	0.3
163.11295	100.0
164.11629	6.7
199.36720	0.3
239.49622	0.3
294.25040	0.3
339.23294	54.7
340.23645	8.4
363.19354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	16.7
61.98819	3.4
69.27473	10.5
69.27879	6.0
71.01382	5.8
75.00877	13.4
78.88314	2.9
83.05035	4.9
89.02462	9.4
95.01373	4.4
98.22676	3.5
100.82662	2.5
101.02422	3.6
113.02510	2.7
117.03491	7.5
131.05014	13.5
133.01738	15.3
133.03008	3.4
134.02510	23.8
142.03004	19.5
146.44672	2.7
149.01187	23.4
154.30864	2.6
158.02501	3.7
161.01193	6.9
164.03534	7.4
175.04051	4.9
176.03540	5.2
192.04684	3.0
194.06183	2.8
220.04053	6.2
221.04723	12.9
237.04242	4.4
248.03564	6.0
249.04340	38.3
250.05078	42.3
251.05655	3.4
264.03934	4.0
264.06665	23.5
265.03760	7.5
266.04581	9.4
276.03012	13.7
280.06152	8.1
293.03308	30.1
294.03842	4.2
308.05643	100.0
309.05966	11.6
325.05728	5.4
332.69998	3.0
340.08368	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	340.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26263	12.7
59.01376	25.1
61.98841	18.4
71.01427	12.6
89.02462	18.1
98.22633	23.6
107.70312	11.6
114.49776	10.8
116.30952	11.0
116.62482	12.4
158.11880	11.5
181.71364	16.2
243.06625	100.0
308.49335	14.0
326.11627	46.1
341.13925	98.2
341.23843	13.8
364.39246	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	341.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03274	0.7
57.03455	1.5
59.01379	17.3
63.02397	14.7
65.00325	17.3
69.24170	1.5
69.24575	3.5
69.83569	0.7
70.79953	0.7
71.01380	8.2
75.00869	1.2
81.03503	1.1
83.01389	17.0
85.02979	1.4
89.02457	7.7
93.03435	1.3
93.50292	0.7
97.02947	0.8
99.00891	0.8
101.02452	4.4
107.01398	28.5
107.05019	1.0
109.02962	1.8
113.02491	2.3
119.03503	2.5
121.02971	3.3
125.02462	4.5
126.36596	0.7
133.03004	4.4
134.03703	1.8
135.04530	50.8
136.04875	1.7
137.02463	3.3
143.03445	1.2
145.21709	0.7
146.03741	1.4
149.02420	2.1
149.06105	0.8
149.99557	1.3
151.00375	100.0
152.00720	3.1
153.01965	2.7
161.02449	16.6
161.04602	1.6
161.06108	2.7
162.05540	4.0
165.01923	2.4
169.01413	9.1
177.01915	1.5
177.05675	1.1
178.99979	4.3
179.03513	48.0
179.05573	5.7
179.07147	8.6
180.03851	1.3
193.01457	1.2
203.03532	1.5
221.04546	1.2
225.99678	0.8
241.02322	0.9
251.05644	2.2
287.05817	2.2
313.05728	6.0
341.05142	81.4
341.08679	3.7
342.05630	6.2
342.11877	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0668
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
59.01378	0.7
61.16949	0.1
65.00339	0.5
65.03975	0.3
65.53712	0.1
66.27315	0.1
67.01912	0.2
68.99814	0.2
69.37263	0.5
71.01397	0.5
77.03991	0.3
79.05537	0.1
81.03447	0.6
81.32797	0.1
83.01410	0.1
85.02953	0.1
89.02454	0.5
89.03978	1.4
89.45377	0.1
91.01896	0.5
91.05553	0.2
92.02660	0.1
93.03475	0.7
95.01389	0.2
95.05035	1.8
99.98222	0.1
101.02465	0.2
101.04026	0.1
102.04747	0.2
103.05550	0.9
104.02683	0.2
105.03465	1.1
107.05060	0.1
108.02189	1.0
109.02962	26.3
110.03293	0.7
115.05571	0.2
117.03488	1.3
118.04279	0.3
119.03583	0.1
119.05048	1.5
121.02966	1.5
122.03781	1.2
123.04537	18.5
124.04868	0.5
124.60002	0.1
129.03494	0.1
130.04280	0.2
131.05049	0.3
132.02155	0.3
133.02974	6.1
134.03792	1.2
135.00871	0.6
135.04561	0.6
137.02432	0.2
137.99582	0.1
139.03963	0.2
143.04967	0.2
145.02971	2.2
145.04106	0.1
146.03780	0.7
147.00873	0.1
147.04535	5.1
148.01651	0.9
148.04959	0.2
149.02449	1.9
150.03221	1.4
151.04022	10.8
152.04393	0.5
157.03021	0.1
158.03700	0.2
159.04514	2.0
160.01668	0.3
160.05009	0.2
161.02454	4.0
161.06073	0.2
162.03232	2.3
163.04018	1.0
173.02470	0.9
174.03252	0.3
175.04016	1.0
176.01167	1.7
176.04793	0.5
177.01942	38.9
178.02296	1.7
179.03490	0.2
180.05545	0.1
185.02444	0.2
185.06125	0.2
187.04024	4.5
188.01212	0.5
188.04785	2.0
189.01949	60.7
190.02698	18.3
191.03496	9.7
191.05341	0.2
192.03883	0.4
199.07660	0.2
200.04834	0.1
201.01944	0.6
201.09244	0.3
203.03516	5.2
204.03999	0.3
209.06026	0.3
209.11888	0.3
211.04056	0.3
211.07722	0.3
212.04655	0.2
213.02007	0.3
213.05556	0.4
214.02750	0.3
214.06171	0.1
215.03467	0.3
216.00645	10.9
217.01424	27.7
218.02074	3.4
219.02989	12.5
220.03314	0.6
220.05254	0.1
222.01753	0.9
225.05612	0.2
227.07138	1.6
228.07794	0.1
229.08685	2.2
230.09077	0.1
231.02995	9.5
232.03714	1.9
233.04482	0.8
237.05574	0.7
238.06198	0.1
240.04434	0.2
251.07126	0.3
253.05132	0.8
253.08647	0.2
254.05858	0.6
255.02927	0.1
255.06694	0.7
263.03613	0.1
264.04395	0.7
265.05106	0.8
266.05371	0.1
267.06836	0.2
269.08228	0.6
277.04913	0.3
279.06717	0.6
280.03815	0.3
281.04565	9.1
282.05142	1.4
283.05545	0.1
295.06134	0.5
297.07693	7.6
298.08075	0.5
305.04715	0.2
308.03220	0.1
323.05591	1.7
324.06012	0.2
341.06665	100.0
342.07016	9.7
342.10184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0667
Annotation	Dipteryxine
Peak:m/z	Relative Intensity
53.66121	0.3
53.96510	0.3
54.13424	0.3
59.01363	0.9
67.49542	0.3
70.75002	0.7
89.02421	0.4
167.05008	0.3
180.05771	0.3
183.04483	0.5
189.01846	0.7
192.52670	0.3
195.04509	0.8
196.05463	0.3
201.01933	0.6
207.04536	0.6
208.05315	0.4
209.06004	1.0
211.04022	1.1
213.05563	1.0
222.03133	0.4
223.04001	2.2
224.04852	2.2
225.05522	1.0
235.04025	0.5
237.05618	1.3
239.03517	1.4
240.04224	1.1
241.04996	0.6
244.07277	0.7
246.07968	0.6
247.69891	0.4
250.02660	1.3
251.03506	6.0
252.04160	0.7
253.05049	2.6
254.05725	0.5
259.09848	1.7
261.10196	0.5
264.04089	0.4
265.05045	0.7
266.02118	1.6
267.02982	10.8
268.03635	1.8
278.02237	3.1
279.03018	8.5
280.03778	2.2
281.04541	2.0
294.01797	2.3
295.02481	49.2
296.02921	4.6
309.04099	0.4
311.05557	1.1
341.06668	100.0
342.07022	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	341.0881
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.32680	0.4
59.01387	11.5
69.37527	1.0
69.37939	1.3
71.01398	5.4
75.00880	1.1
80.30181	0.4
85.02968	0.8
89.02452	4.4
101.02454	1.8
105.03423	0.8
113.02451	1.7
113.69303	0.5
119.03528	1.3
132.02211	1.3
133.02977	26.6
134.03352	0.9
135.04547	20.5
138.53525	0.4
149.06114	1.0
152.91197	0.5
161.02466	100.0
162.02815	4.6
169.55299	0.4
175.03990	0.6
177.01953	2.6
177.05550	2.4
178.02307	1.1
179.03566	22.3
179.05557	3.1
180.03911	0.8
189.05684	0.5
203.03568	1.6
221.04575	1.6
233.04678	0.5
251.05591	2.7
281.06787	2.9
341.08655	8.2
342.09244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82264	0.4
59.01382	1.2
68.41325	0.3
69.34792	1.4
71.01398	0.6
89.02472	0.4
91.05528	0.4
102.18806	0.3
107.05038	1.5
108.02171	0.4
115.75026	0.4
133.03012	2.5
134.03767	3.7
135.04541	100.0
136.04866	4.2
161.02454	6.2
173.82524	0.4
177.01959	0.7
179.03513	86.9
180.03854	3.7
221.04494	0.6
251.05626	0.5
281.06625	0.7
288.61816	0.4
341.08804	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	341.0881
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01392	1.2
59.61189	0.4
71.01379	0.7
89.02488	0.7
101.02460	0.5
103.52522	0.4
107.05038	1.1
110.32897	0.4
117.03514	0.6
118.35116	0.4
133.02966	1.4
134.03761	3.2
135.04544	97.6
136.04865	4.1
136.62212	0.4
149.06099	0.6
161.02444	3.5
177.05611	1.4
179.03517	100.0
180.03854	3.6
206.65065	0.4
221.04532	2.2
251.05626	1.6
281.06744	3.1
341.08713	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
58.60239	0.3
59.01386	4.8
69.52758	1.3
71.01391	3.0
80.26015	0.3
85.02979	0.4
89.02464	3.4
93.03452	0.4
98.22658	0.7
101.02477	1.0
101.20627	0.4
107.05022	0.9
109.02971	0.4
113.02451	1.1
114.05644	0.4
117.03493	0.4
119.03509	1.3
119.05053	0.4
121.02910	0.3
133.02992	1.6
134.03772	4.6
135.04543	100.0
136.04884	3.6
137.02513	0.7
143.03494	0.3
149.06110	0.4
154.59476	0.3
161.02473	3.5
164.08377	1.0
177.05518	0.5
179.03517	96.5
180.03848	4.2
188.74467	0.4
203.03534	0.9
221.04561	0.5
276.23746	0.4
341.08673	10.2
342.09119	0.8
351.33905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	24.2
61.31885	3.1
69.17744	12.4
70.10319	3.1
71.01390	14.3
89.02460	17.6
102.05624	11.3
113.02470	7.6
119.03502	3.3
130.08766	7.7
161.02492	3.8
179.05707	4.6
189.01898	34.7
199.98819	4.7
201.01958	36.8
210.11411	3.7
227.07315	8.1
229.04965	3.5
243.06679	8.9
244.07388	51.0
259.09775	100.0
260.10065	6.9
311.16019	3.5
326.24417	3.1
341.11005	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	341.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94496	0.4
59.01392	2.3
69.12428	1.0
69.12838	1.7
71.01384	1.6
75.24809	0.4
77.03960	2.1
81.03434	0.5
85.02959	0.6
85.60521	0.4
89.02451	1.9
93.03448	6.9
93.43567	0.4
95.01385	1.4
95.05005	2.3
96.96013	0.8
98.21807	0.8
101.02463	0.8
104.02684	1.0
105.03478	0.6
106.04265	0.6
107.01408	0.7
108.02170	0.4
109.02940	1.2
113.02488	0.7
119.03509	0.4
119.05046	5.0
120.99664	1.3
121.02966	65.0
122.03301	1.6
123.04569	1.7
131.05093	0.4
132.02194	4.2
132.05878	0.6
134.03755	59.0
135.04565	19.2
136.04846	1.2
137.02463	0.5
139.38705	0.4
143.05168	0.5
147.04538	3.5
148.01685	3.9
149.02457	100.0
149.06068	8.2
150.03268	12.2
150.06419	0.7
153.05609	0.7
159.04567	0.7
161.02441	1.9
163.04024	1.5
164.04805	12.3
165.05598	2.6
175.04004	0.5
176.01163	7.4
177.01880	0.9
177.05576	0.4
177.17244	0.4
178.02765	1.9
179.03500	1.8
183.08220	0.6
189.01915	0.8
190.02710	0.8
193.05084	2.0
193.06644	1.0
195.08260	0.9
203.03529	1.9
205.06578	4.3
206.07153	0.5
209.06015	0.5
210.06891	0.8
211.07558	0.9
221.06070	8.0
222.06798	2.5
223.07646	2.9
224.04790	0.7
224.08377	0.7
225.05626	0.5
233.06100	5.2
234.06824	5.7
235.07637	4.1
236.08179	0.5
237.05591	1.4
238.06387	4.7
239.07153	17.7
240.07532	1.4
243.06717	2.3
249.05652	3.4
250.06358	18.1
251.07033	5.0
252.07884	2.0
253.08711	8.0
254.09512	5.7
255.10085	0.7
255.96829	1.3
261.07697	12.6
262.07990	1.0
263.56992	0.4
265.05524	0.6
265.08679	4.2
266.09402	0.5
267.06638	11.5
268.06885	0.8
281.08182	0.8
282.08987	49.8
283.06329	1.0
283.09323	5.3
294.05368	0.8
297.07715	2.3
297.11343	7.2
298.08429	0.8
298.11703	0.9
309.07690	1.8
311.05811	0.6
311.09274	1.7
326.07886	3.6
341.03378	1.3
341.07080	1.4
341.10318	33.6
342.10660	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	341.103
Annotation	celebixanthone
Peak:m/z	Relative Intensity
50.34428	0.7
50.45296	0.6
59.01387	6.1
61.91695	0.6
69.20025	4.4
71.01397	4.7
74.24361	0.7
82.63274	0.8
89.02460	4.6
93.03464	2.1
94.20533	0.7
100.58105	0.7
101.02431	2.1
103.89878	0.8
108.02165	0.9
109.02986	1.8
113.02444	1.5
113.59069	0.8
119.03546	1.3
121.02976	10.7
135.04543	2.6
145.02957	1.4
147.04561	0.7
159.04506	1.9
160.05264	3.9
161.02443	2.8
173.02419	1.1
179.03535	1.5
179.05627	1.4
183.04546	1.3
183.08185	0.9
186.80992	0.8
189.01837	1.2
193.06598	2.7
194.07162	0.8
195.04543	2.1
195.08179	3.7
196.05322	2.7
197.06044	2.5
199.36453	0.7
209.06087	4.2
210.06767	1.3
211.04218	0.8
211.07669	10.6
219.04565	1.6
220.05350	2.1
221.06064	10.4
222.06804	5.6
223.07648	4.8
224.04803	4.9
225.05577	3.4
235.04041	0.9
237.05545	9.3
238.06247	5.2
239.07158	28.6
239.63539	0.7
240.07469	2.2
248.04842	3.8
249.05597	15.3
250.06354	8.7
251.07054	1.7
252.04292	1.9
252.07823	2.3
253.08754	2.2
265.05087	5.4
265.08652	2.7
266.05841	7.6
267.06647	100.0
268.06940	7.3
277.05078	3.1
278.05789	1.9
281.08051	4.6
282.08987	32.4
283.06235	1.6
283.09460	2.1
284.54776	0.8
293.04562	2.0
294.05374	18.9
295.05853	1.7
297.07776	0.8
297.11353	26.0
298.11737	2.7
308.07043	2.2
309.07712	40.3
310.05011	1.1
310.08014	5.3
311.05664	11.2
311.08984	1.0
312.05832	1.2
323.09174	4.2
325.07108	1.5
326.07996	27.5
326.11462	1.4
327.08447	2.7
341.07028	2.7
341.10321	70.6
342.10669	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	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40197	0.6
55.01891	0.6
57.03460	1.7
57.26385	0.6
58.00590	1.0
59.01383	100.0
65.40108	0.6
69.25927	2.0
69.26313	1.3
71.01386	55.9
72.01721	1.2
72.99329	1.9
73.02950	1.4
83.01392	1.7
85.02958	8.3
87.00893	2.7
89.02452	68.8
90.02827	1.0
95.01408	2.5
99.00876	0.8
101.02452	25.4
102.02779	0.8
113.02468	20.8
113.03603	1.3
114.01975	1.2
119.03516	21.5
120.03853	0.8
131.03525	3.8
131.04649	2.3
136.65112	0.6
142.02370	0.7
143.03514	5.0
149.04579	2.4
161.04570	7.1
163.00755	0.6
173.33260	0.7
175.15599	0.6
179.05623	21.7
180.05948	1.2
182.63518	0.6
228.98712	0.6
341.10892	24.8
342.11258	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03440	0.8
58.00594	0.7
59.01382	100.0
60.01726	1.3
61.18476	0.7
62.87605	0.6
69.46364	3.0
71.01385	59.2
72.01725	0.9
72.99314	1.2
73.02956	1.7
83.01414	1.8
85.02961	8.9
87.00890	3.5
89.02448	74.3
90.02794	0.8
95.01398	3.2
101.02443	24.6
106.74366	0.9
113.02455	23.9
119.02660	1.2
119.03510	25.2
125.02469	0.9
131.03513	2.9
131.04613	0.7
135.04543	2.0
143.03523	5.8
149.04547	3.0
161.02472	1.9
161.04576	7.5
179.03455	1.7
179.05620	26.7
179.07181	1.3
181.27119	0.8
203.13936	0.8
255.08435	0.8
255.24646	0.7
255.84413	0.8
341.10892	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
56.63683	0.7
57.03446	1.6
58.00595	1.5
58.17253	0.8
59.01385	100.0
60.01706	1.4
60.30223	0.7
66.86009	0.8
70.51746	1.7
71.01389	61.5
72.99318	2.5
73.02939	2.7
75.00867	1.1
83.01389	2.8
85.02962	9.5
87.00880	3.5
89.02455	71.6
90.02782	1.1
93.03479	1.8
95.01399	4.3
101.02451	25.3
110.72159	0.9
113.02462	27.4
119.03516	27.9
119.04335	1.9
119.30601	1.0
125.02464	1.4
131.03510	4.5
135.04544	25.6
136.04930	1.1
137.02446	2.3
143.03526	6.9
149.04575	2.8
161.04570	8.4
179.03543	16.0
179.05650	28.3
180.05994	1.5
341.10947	28.4
342.11197	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
57.03455	32.6
58.03783	0.5
58.68102	0.4
59.01384	4.8
70.21677	0.7
70.22009	0.7
71.01383	2.8
75.36381	0.4
82.20662	0.4
85.02945	0.6
89.02456	2.6
93.03458	1.5
101.02455	1.2
109.02967	2.3
109.78055	0.4
113.02446	1.1
117.07084	0.4
119.03503	0.7
121.02972	28.9
122.03255	0.7
123.98342	0.4
129.01965	0.4
133.02945	1.5
134.03763	0.9
135.04541	23.0
136.04913	0.7
153.01962	1.1
161.02478	6.0
161.06084	0.7
179.03561	25.0
179.07152	100.0
180.03885	0.9
180.07503	4.8
195.05116	0.7
203.03568	0.9
209.62401	0.4
223.48618	0.4
341.08865	1.8
341.12277	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
57.03452	36.3
58.03776	0.4
59.01384	4.2
66.89581	0.4
69.61903	0.7
71.01389	2.9
83.01418	0.3
85.02966	0.4
89.02435	1.9
89.47258	0.3
93.03472	1.5
94.30602	0.3
96.95979	0.4
97.02977	0.3
97.36967	0.3
99.00900	0.3
101.02454	1.2
104.28275	0.3
109.02957	3.5
113.02446	1.0
117.38709	0.3
119.03507	0.9
119.05069	0.3
121.02971	30.7
122.03310	0.8
123.04529	0.3
125.02479	1.0
133.02972	1.7
134.03751	3.1
135.04553	3.7
136.04893	0.5
137.02467	1.3
147.04477	0.6
149.02429	0.7
149.06100	0.4
151.04071	0.4
161.02466	5.3
161.04594	0.4
162.02823	0.4
164.01158	1.1
165.01947	0.7
167.03537	0.7
179.03865	3.0
179.07153	100.0
180.07492	5.3
193.05038	2.2
203.03505	0.8
209.02808	0.9
248.29608	0.3
309.03918	0.8
341.11972	1.4
341.15820	0.3
341.26923	0.4
349.03079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	29.6
57.94178	0.6
59.01120	0.9
59.01386	11.3
66.74244	0.7
69.34025	1.5
69.34415	1.6
71.01393	5.1
83.01385	1.0
85.02950	1.3
89.02459	5.4
93.03484	1.1
96.94814	0.6
101.02463	1.6
109.02966	2.5
113.02433	1.3
114.48566	0.7
119.03503	1.8
121.02966	30.3
125.02686	0.6
133.02968	11.9
134.03709	2.7
135.04539	9.9
140.12326	0.6
143.03462	0.7
143.44809	0.6
147.04524	0.7
149.02443	2.5
149.06094	0.9
150.03130	0.8
151.00377	1.3
161.02460	38.5
162.02791	2.0
163.04056	0.8
175.04021	1.1
177.05595	1.4
179.03639	9.2
179.07141	100.0
180.07504	4.9
203.03554	4.9
221.04573	1.5
224.35539	0.8
251.05600	1.2
251.54056	0.6
278.69089	0.7
281.06723	0.7
282.08978	1.3
341.11725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	2.9
59.01383	38.1
71.01393	23.4
71.41402	2.2
72.99316	3.8
73.95821	2.5
75.00886	12.2
85.02959	6.3
89.02447	20.8
99.00903	22.1
99.04530	70.9
100.01725	3.0
101.02466	5.7
104.92361	3.1
109.06628	3.1
111.00916	7.9
112.95882	2.6
113.02475	6.3
113.99605	74.0
116.85689	2.6
119.03506	7.5
125.06108	4.4
128.01122	5.5
129.01968	11.8
133.02927	4.9
135.04509	8.3
143.03481	2.9
156.00668	42.2
157.00867	2.8
161.02489	21.6
161.09724	3.4
174.01718	29.0
176.01140	7.4
177.01961	26.5
178.91559	2.6
179.03517	8.7
179.05594	5.7
179.10826	15.1
181.12305	3.8
191.03433	3.1
209.11932	4.2
209.21518	2.5
211.09712	4.9
217.12346	9.7
219.02855	2.5
223.09882	2.8
225.11340	10.9
237.11325	5.3
241.10851	12.8
243.62086	2.6
261.07568	4.0
261.11099	3.4
263.09244	5.5
267.06842	3.1
271.27380	2.8
281.10336	100.0
282.10602	6.5
283.09695	4.1
297.13339	3.1
311.09113	6.3
326.11771	5.0
341.03253	5.9
341.06839	5.1
341.10474	4.8
341.14108	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	341.1395
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
51.66636	0.5
59.01398	1.5
61.84857	0.5
66.48532	0.6
71.01411	1.1
71.44356	0.6
113.02460	0.6
121.02898	0.7
133.02917	0.6
135.04491	1.0
145.02985	3.6
155.38467	0.6
157.96419	0.6
161.02464	0.6
166.06281	0.6
179.03552	0.5
181.08742	0.6
185.26563	0.6
194.07314	0.8
196.05341	1.3
209.06006	0.9
209.09793	0.5
209.11858	1.0
210.07004	1.0
222.06921	1.6
223.04030	0.6
223.07706	1.2
224.04782	5.9
225.09276	1.2
227.10822	1.8
235.07571	0.8
237.05565	1.1
238.06372	9.5
239.07092	1.5
239.10815	3.1
241.08708	2.9
251.07161	1.7
252.04425	1.0
252.07913	1.2
253.08763	1.6
254.09454	2.4
255.10283	9.4
256.10721	1.3
265.05182	0.8
265.08633	1.2
266.05875	5.8
266.08481	0.7
266.09778	0.7
267.10318	1.9
269.11807	3.5
270.05417	0.7
270.12491	3.2
281.08240	1.5
282.08945	2.0
283.09784	46.3
284.10129	3.6
294.08902	2.0
295.09653	5.4
296.07553	0.8
296.10367	3.8
297.11334	2.5
298.12146	3.9
309.07806	0.6
309.11298	2.1
310.08728	1.0
310.12091	2.4
311.09280	100.0
312.09653	9.8
325.10886	6.6
326.11609	77.6
327.12015	6.5
341.13943	75.0
342.14310	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	341.1395
Annotation	cis-Avicennol
Peak:m/z	Relative Intensity
63.45510	0.7
70.63676	1.2
105.77788	0.6
107.01425	0.6
109.02873	0.6
118.04280	1.3
134.03738	0.8
137.09758	0.6
145.02966	2.8
147.04555	1.2
155.60223	0.7
161.02472	1.5
162.03198	1.8
171.08141	1.3
173.02417	3.0
183.08128	1.9
184.08902	1.2
185.06131	1.8
187.07680	1.8
189.01927	7.1
190.02719	8.5
197.06023	0.7
199.03976	0.7
199.07663	5.9
200.08383	2.0
201.01950	53.8
202.02422	2.7
203.03627	1.2
211.07645	2.6
213.05577	1.3
214.06323	0.9
215.07161	3.8
216.04282	0.8
222.01752	1.4
227.03416	0.9
227.07089	3.1
228.04305	2.5
228.07883	1.4
229.05135	1.2
241.05098	2.1
243.06635	29.4
243.09152	1.5
244.07372	4.9
254.13112	0.8
255.06709	3.8
256.07376	1.7
259.09769	7.5
269.08356	0.8
270.08932	2.4
270.12628	2.3
271.09717	1.1
271.81473	0.7
273.07721	1.0
283.09787	1.9
298.12057	2.3
311.09247	1.7
326.11621	46.9
327.05429	0.7
327.11877	5.2
341.13947	100.0
342.14282	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	341.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.2
61.98815	0.8
69.47690	1.5
71.01344	0.5
89.02390	0.4
93.03453	2.1
94.94817	0.4
96.90145	0.5
98.22639	0.5
117.03464	0.5
118.04263	3.0
121.02950	1.2
133.02963	1.1
145.02959	9.0
154.04260	0.5
157.06546	2.4
161.02457	2.1
162.03195	2.7
167.05023	1.5
169.06573	1.4
170.93260	0.4
173.06070	1.1
183.04492	1.4
183.97707	0.5
184.05315	1.1
185.06087	4.6
186.06801	1.0
187.03960	1.0
189.01941	22.3
190.02718	10.9
195.04529	7.9
196.04999	0.5
197.06017	1.1
198.03171	1.3
199.04018	1.1
201.01971	1.9
201.05602	0.7
203.03346	0.6
204.04283	3.9
211.04063	3.5
211.07585	0.6
212.04814	3.3
213.05594	16.9
214.06068	1.4
215.03529	0.5
216.04068	0.5
217.01396	1.8
222.01657	2.2
227.03578	1.1
228.04201	0.9
229.05066	9.8
230.05609	1.4
233.74055	0.5
236.03287	1.9
239.03568	4.3
240.04207	0.7
241.05093	1.1
242.05875	6.2
243.06662	2.6
244.07185	0.7
255.03096	0.6
255.06677	0.5
256.07446	1.5
257.04572	80.5
257.07977	3.2
258.04922	6.3
258.07913	0.6
271.09692	2.3
272.06921	0.6
279.87491	0.5
283.09622	0.7
290.43417	0.4
298.12134	0.9
311.09219	0.8
313.14597	0.9
322.12958	0.5
326.11606	13.9
327.11914	1.0
341.13940	100.0
342.14301	10.7
342.68066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47402	1.7
83.05029	2.7
104.02678	0.7
107.05029	3.0
118.04254	2.0
133.02943	1.3
145.02943	1.6
155.08672	2.5
156.05885	1.4
157.61064	0.7
159.38530	0.7
161.02457	2.0
162.03294	2.1
171.08183	5.1
175.04060	0.8
181.06657	1.1
187.07697	2.6
189.01891	3.9
190.02748	15.7
199.07672	7.8
201.01926	1.2
203.03481	1.2
213.05600	2.2
215.07135	4.0
217.05101	0.8
222.01729	2.1
230.05963	1.0
243.06636	100.0
244.07045	6.2
255.06670	1.0
257.08221	2.1
283.09799	1.1
326.11618	31.9
327.11945	2.5
341.13953	73.2
342.14230	9.5
356.80243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94158	0.5
57.06348	0.4
59.01398	0.5
67.01900	0.5
69.78011	1.5
118.04318	0.6
133.03001	0.6
145.02975	2.5
148.01640	0.7
150.53667	0.4
155.08667	0.5
156.05763	0.4
161.02551	0.8
162.03137	0.6
171.08290	0.5
173.02451	4.2
174.03238	1.4
178.51540	0.5
183.08127	2.8
183.58192	0.4
183.74501	0.4
184.08946	2.1
185.06123	1.8
186.07001	0.6
187.04036	0.5
187.07625	0.9
189.01961	2.5
190.02725	2.0
197.06018	0.7
199.04100	1.5
199.07668	5.4
200.08403	3.1
201.01953	51.0
202.02309	2.9
204.04196	0.5
211.07674	1.7
213.05641	1.1
213.09225	1.3
215.07080	1.3
216.04297	1.0
222.01833	0.5
227.07167	2.9
228.07953	1.9
241.05110	1.0
241.08771	0.8
243.06674	5.0
244.03731	0.7
254.13168	1.4
255.06667	4.9
256.07568	0.7
259.06027	0.9
269.08328	1.4
270.09177	1.0
270.12598	4.1
283.09729	0.9
297.11438	0.9
298.12189	2.8
309.11148	0.8
311.09415	0.5
326.11609	61.2
327.11996	5.2
341.13940	100.0
342.14319	11.1
346.16263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71596	0.5
64.92809	0.5
69.41138	2.4
69.46797	0.5
93.03442	1.7
94.33492	0.5
97.22399	0.5
118.04262	9.8
128.61522	0.5
129.03520	0.6
131.05045	0.5
133.02953	1.2
134.03726	2.3
145.02933	3.4
147.04515	1.1
157.06575	1.2
159.04485	0.9
161.02452	1.9
162.01938	0.6
162.03256	9.1
163.03976	0.6
164.05994	0.5
169.06505	0.6
171.04465	0.5
173.02441	2.3
177.01868	0.9
180.56490	0.5
183.08144	0.9
184.08940	0.7
185.06120	3.0
189.01949	4.5
190.02722	46.2
191.03102	2.4
195.04575	0.7
198.03194	1.3
199.03999	1.5
199.07695	1.9
200.08434	0.6
201.01942	19.1
201.05620	0.7
201.68501	0.5
202.02492	1.8
203.03497	11.9
203.05258	0.9
204.04059	0.7
212.04756	1.6
213.05559	7.7
214.02682	0.5
214.06348	3.3
215.07088	1.8
216.00626	0.6
217.01428	8.6
217.05162	1.0
222.01695	9.7
227.07118	1.2
229.05072	2.7
239.07175	0.9
240.04274	1.0
243.06589	5.8
244.07138	0.6
253.12534	0.8
254.13071	1.0
255.06638	2.0
257.04544	4.0
257.08154	2.3
258.05307	0.6
267.10123	1.0
270.09097	0.8
270.12552	1.1
281.11856	1.1
282.12546	1.4
283.06766	0.5
283.09772	2.8
298.08633	0.5
298.11874	2.8
309.11243	1.4
311.09195	1.9
326.11615	24.0
327.11926	3.3
330.11035	1.2
341.13934	100.0
342.14288	11.1
347.58206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1396
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
59.01371	3.4
59.06573	0.9
61.98829	3.0
69.31296	2.2
69.31692	3.1
71.01382	2.1
83.05018	1.9
83.48083	1.0
88.35506	0.9
89.02451	3.0
89.89439	0.9
94.92533	1.0
98.21931	1.7
101.02473	1.0
107.05050	3.0
113.02470	1.4
118.04257	2.4
119.03523	1.1
133.03000	1.7
145.02913	1.7
145.31691	0.7
146.96561	1.2
155.08690	2.4
156.05869	1.2
161.02463	1.8
162.03267	2.2
171.08168	5.0
179.05643	1.7
181.06627	1.1
187.07704	4.1
189.01955	3.2
190.02753	11.6
198.06995	1.2
199.07663	8.5
201.01973	3.2
203.03493	1.4
209.10654	0.8
215.07129	4.1
216.88420	0.9
222.01811	3.3
230.05737	1.7
242.06081	0.9
243.06630	100.0
244.06949	6.7
257.08200	3.0
283.09760	2.1
297.11295	1.0
298.34756	1.1
311.09320	1.8
326.11609	28.7
327.11942	3.8
341.13974	78.1
342.14221	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	341.1761
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
56.31475	1.0
59.01370	3.8
60.83816	0.9
61.98830	2.6
70.57909	0.9
71.01368	2.4
73.26030	0.9
89.02452	3.0
109.02959	0.9
137.02440	2.2
149.02461	2.6
155.08672	1.7
156.05872	1.5
159.04460	1.8
161.02455	3.3
171.08180	8.6
172.08911	1.2
173.06148	1.5
184.05315	1.2
187.07661	4.7
197.06137	2.3
199.07620	4.6
200.04840	1.3
201.05602	2.6
214.06416	1.2
215.07123	30.5
216.07578	2.4
225.05592	2.2
227.03520	1.4
228.04311	11.6
229.08713	4.3
242.05853	8.6
243.06635	59.3
244.07079	5.9
257.08163	7.3
258.09000	10.1
259.09406	1.1
283.13330	1.1
311.12918	1.9
326.15253	50.4
327.15451	5.7
341.17581	100.0
342.17865	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	341.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	9.2
58.62821	0.5
59.01373	1.1
62.57175	0.6
64.02445	0.5
67.03025	0.5
70.02972	0.6
70.77842	0.8
71.01398	0.7
74.02476	2.2
75.20766	0.5
82.02983	1.7
83.06165	3.8
84.04554	5.8
98.02452	0.7
101.02479	0.8
101.07213	7.5
107.06087	0.5
109.04094	10.5
125.03571	2.1
125.07229	3.3
127.05151	56.2
128.03554	12.9
128.04395	0.3
128.04550	0.5
128.05521	1.5
130.08766	0.9
135.02992	0.6
135.04558	1.0
137.07266	0.7
145.06207	53.1
146.06546	0.7
161.02425	0.5
165.12831	1.2
179.03430	0.7
182.15527	8.4
194.15462	0.8
213.15027	0.7
249.19743	21.6
250.20036	1.4
261.19748	9.2
262.20029	0.6
267.20865	1.0
279.20810	3.7
299.18527	0.7
323.19806	9.7
324.20172	0.7
326.07907	0.8
341.20831	100.0
342.21170	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	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
60.21756	0.5
69.03472	1.5
70.74290	0.8
71.01376	0.8
83.05040	1.4
84.02180	7.4
97.02962	1.7
97.06603	12.2
99.04539	2.0
119.08715	1.0
125.09740	1.7
127.11278	0.7
137.09743	1.7
165.12877	1.1
171.10291	17.1
172.10657	0.8
175.11336	1.1
177.12862	0.8
183.13934	2.3
193.12352	16.6
194.12753	0.7
197.15326	0.5
211.13414	3.7
221.11766	1.1
225.14973	21.8
226.15361	1.3
243.16025	9.0
244.16435	0.7
253.14427	1.5
291.19745	1.7
323.22366	0.6
340.06366	0.6
341.23346	100.0
342.23718	10.5
344.01514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.1
61.98815	2.3
66.40255	1.8
68.97581	1.7
71.24106	1.7
84.02173	23.2
97.02947	9.2
99.04524	5.2
119.08640	3.3
130.83083	1.7
135.08173	2.0
137.09756	2.8
167.58563	1.6
171.08768	3.3
171.10269	65.7
172.10516	2.1
184.01170	1.9
199.98701	2.7
341.23361	100.0
342.23755	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	341.2698
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
59.01394	6.9
59.82149	3.3
69.28820	14.2
79.32433	3.9
151.54536	3.2
223.93889	3.5
227.48906	3.5
279.26923	64.4
323.25912	17.7
325.10123	4.1
341.26968	100.0
342.27145	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	342.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89537	3.2
60.35561	2.8
69.34473	10.0
69.34865	5.5
114.67883	3.0
126.99585	14.2
131.08711	4.0
165.04811	4.3
167.06348	100.0
168.06616	4.2
184.01024	4.0
199.98715	4.9
211.05331	22.5
315.07947	7.7
342.08713	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	342.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78082	3.9
59.01384	90.9
60.01700	14.4
61.98833	100.0
69.14459	10.1
69.14862	13.4
71.01392	39.7
72.00939	4.0
72.01724	14.1
79.78979	3.2
85.02303	3.4
85.02934	10.5
86.03287	5.4
89.02463	47.6
90.02780	12.6
101.00906	3.8
101.02470	20.4
102.02804	9.6
108.04565	4.4
113.02454	12.9
114.02782	10.0
119.03537	17.1
120.03815	6.8
121.03007	5.4
133.02951	9.9
135.04555	65.9
136.04036	4.3
136.04872	56.3
136.17931	4.1
137.02385	5.6
137.06104	7.3
161.02483	8.6
161.04596	5.8
162.02800	16.4
179.03503	37.6
179.05609	12.9
180.03867	63.1
180.05867	8.4
181.05086	12.2
189.31979	3.7
199.53328	3.6
199.98833	4.0
311.03882	3.5
342.11200	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	35.3
60.01723	2.4
61.98838	11.6
65.55737	1.9
71.01382	13.8
72.01723	3.3
72.64845	1.5
87.00858	2.1
89.02465	12.0
90.02789	2.0
93.03474	9.1
94.03786	3.2
95.05023	3.0
101.02438	6.8
105.03473	4.8
107.05035	4.6
108.04568	3.9
109.02941	4.9
109.06588	4.1
113.02443	3.5
119.03479	4.3
119.05019	7.0
121.02950	4.9
123.04485	2.9
128.88298	1.6
131.34026	1.9
132.44746	1.6
133.02966	51.5
134.03362	7.0
135.04549	100.0
136.04861	89.0
137.02437	7.5
137.05083	2.8
137.06064	21.1
138.02760	4.1
149.02512	2.5
149.06107	1.7
150.06480	1.8
151.03970	4.3
161.02466	21.7
162.02797	30.6
162.04092	2.9
162.04352	2.4
162.05620	24.0
163.04077	1.8
177.01900	9.2
177.05519	4.3
178.02238	3.8
178.05920	4.4
179.03529	54.3
179.05249	3.4
179.05620	2.4
180.03862	77.0
181.05112	68.2
181.08698	3.8
189.05571	2.1
195.03020	19.3
203.03401	2.0
212.57794	1.7
221.04518	2.9
222.04871	12.0
245.60855	2.0
252.06088	9.2
281.06741	2.6
282.07019	15.9
342.08902	11.8
343.10089	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	342.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
57.11044	0.8
57.86314	0.8
58.02970	2.9
59.01382	9.6
62.32385	0.8
69.83660	1.1
69.83990	1.9
71.01399	1.9
74.02483	2.1
84.04550	11.2
96.22597	0.8
98.46303	0.7
100.04040	2.0
100.07708	5.9
102.05621	83.6
103.05964	1.8
105.03506	1.2
128.03558	100.0
129.03868	2.3
129.09233	2.0
131.03773	3.5
131.17160	0.8
133.02974	10.8
134.03775	7.3
135.04536	9.0
146.04607	11.8
146.06114	3.3
177.01921	5.0
179.03516	2.5
182.15503	1.7
183.13925	8.1
195.13957	8.5
213.14996	68.3
214.15331	4.2
224.20146	4.2
283.19162	3.9
298.20288	15.4
299.20676	1.5
301.20251	11.7
324.18210	15.2
325.18433	1.1
342.10123	10.0
342.19232	97.9
343.10358	1.1
343.20206	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	342.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52838	11.0
63.36873	10.2
70.06571	18.6
70.06892	20.1
71.60680	10.0
81.42921	10.8
135.56271	12.5
151.98297	11.3
157.52870	12.0
253.45053	11.5
269.95197	13.0
318.89334	13.4
342.20535	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	342.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	3.8
60.29013	3.2
63.99923	3.3
70.54378	6.3
77.10352	3.1
79.89379	3.0
118.54469	3.4
148.48267	2.9
163.72365	2.8
277.21783	6.8
298.29712	3.3
320.37793	3.2
342.20541	100.0
343.20779	9.4
348.20377	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	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73908	0.1
59.01383	98.0
60.01720	1.1
66.01427	0.1
69.66428	0.4
69.66813	0.3
80.25909	0.2
97.45599	0.2
98.22596	0.2
113.04621	0.5
115.02515	0.4
157.03571	7.4
158.03731	0.5
159.01508	3.4
160.01715	0.2
185.01215	0.2
199.98860	0.3
201.02562	100.0
202.02707	8.1
242.27417	0.2
335.90359	0.2
343.03711	2.1
344.04019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	89.2
60.01715	0.9
65.90288	0.4
68.04443	0.3
70.78102	0.4
70.78430	0.5
71.01402	1.2
71.05014	0.5
72.00947	0.4
72.81721	0.4
89.02464	0.8
98.99413	0.8
101.02455	0.6
113.01019	0.4
113.02511	0.5
115.04031	0.7
117.00476	0.9
119.05080	1.2
121.03006	0.6
123.00906	1.6
124.01701	0.7
126.98869	0.9
130.08754	18.7
138.03226	0.7
139.04028	0.8
141.00494	1.3
150.04245	0.7
155.02016	0.7
157.03581	7.5
158.03709	0.6
159.01488	3.0
168.01506	0.6
173.03151	0.5
179.05666	0.4
181.05112	0.7
183.01520	0.8
185.01309	0.6
188.07916	0.6
197.03070	0.5
199.01056	0.6
199.02879	0.6
199.04657	1.7
199.98772	0.6
200.04980	0.6
201.02571	100.0
202.02763	7.5
210.02553	0.5
213.00854	0.9
242.62285	0.4
266.05148	0.7
283.01669	0.7
284.08029	2.1
343.03928	0.7
343.05219	0.7
343.13229	0.7
343.17252	10.8
344.10303	1.1
344.17477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49659	21.9
51.16376	24.6
52.46238	23.3
59.01385	61.4
61.98830	33.0
69.38235	100.0
71.01390	37.8
71.83440	20.8
72.95129	24.3
93.03448	22.7
115.06372	26.1
119.04984	27.4
121.02939	64.5
134.06122	28.5
135.04567	48.1
136.04730	24.9
137.06047	30.6
147.50119	23.1
179.03487	27.9
181.05099	90.3
216.88089	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0826
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
51.56516	1.3
59.01379	2.0
61.98827	2.3
70.83269	2.0
83.01397	87.0
84.01707	2.0
96.47044	1.4
116.92842	2.2
145.06609	2.7
146.55005	1.6
161.02559	1.7
165.07683	1.3
187.03987	1.6
187.07748	2.4
189.01993	3.2
189.05498	6.9
190.02779	5.8
199.07593	1.5
201.01871	2.0
203.07115	3.8
213.05542	3.3
215.03554	5.8
217.05087	1.7
229.05022	6.9
231.06651	51.4
231.09030	2.5
232.07036	2.6
241.05177	2.4
243.06665	14.1
244.07025	3.9
244.47934	1.5
255.06609	4.5
257.04617	5.4
259.06125	47.7
260.06534	2.5
269.04617	4.3
269.08133	2.9
285.04321	2.3
299.09326	6.9
301.07120	3.6
311.12903	2.9
313.03564	34.0
314.03757	3.0
327.15576	3.2
328.05908	94.5
328.13159	8.3
328.16458	2.2
329.06262	6.5
343.08270	100.0
343.15057	31.5
344.08606	7.9
344.15802	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	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00003	0.4
59.01381	15.9
62.47182	0.3
69.67542	1.3
81.03468	0.6
91.05518	0.3
93.03470	0.8
93.07106	0.4
95.05017	1.0
107.05056	0.7
107.45434	0.3
109.02957	7.4
109.06600	4.5
117.12843	0.3
119.05034	4.5
121.02964	6.9
122.03812	1.7
130.23616	0.4
134.03766	0.3
135.04536	5.3
136.04802	0.5
137.06093	31.7
138.06442	0.9
161.02457	0.9
163.02893	0.8
173.52164	0.4
179.03476	0.7
181.05080	100.0
182.05417	4.8
183.40053	0.3
203.58870	0.3
211.92749	0.3
236.28040	0.3
272.79871	0.4
289.34494	0.4
343.10382	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	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01080	0.8
59.01381	15.2
60.25217	0.3
66.98130	0.4
69.64322	1.4
71.01400	0.3
74.71118	0.4
81.03455	0.5
93.03462	0.4
95.05035	0.9
107.05062	0.5
108.02185	0.4
109.02969	7.3
109.06606	3.6
110.17782	0.4
119.05035	5.1
121.02964	6.9
121.03767	0.7
122.03737	1.6
129.54372	0.4
135.04543	5.4
137.06094	31.0
138.06392	1.0
161.02463	0.8
163.02953	0.9
179.03503	1.1
179.26851	0.3
181.05080	100.0
182.05426	5.0
191.24179	0.3
197.17738	0.3
207.89029	0.4
211.40184	0.4
290.70120	0.4
343.10275	2.9
356.42343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1189
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
50.31961	0.3
51.79678	0.3
54.55033	0.3
57.03440	0.4
64.71151	0.3
70.63854	0.5
75.78335	0.3
99.04511	0.5
104.02706	1.3
109.58000	0.3
118.04257	3.9
121.06577	0.4
121.52100	0.3
122.35429	0.3
132.02164	0.9
134.03748	1.5
145.02948	1.5
148.01645	0.7
161.02472	1.5
162.03226	3.9
172.08907	0.6
173.02409	0.4
176.01184	2.4
181.06633	0.5
185.06078	3.1
189.01993	4.1
190.02731	16.3
191.03192	1.0
197.06113	0.4
198.06898	1.9
199.07663	32.1
200.08055	2.7
201.01953	0.6
201.05716	0.4
202.06400	0.4
203.03523	5.0
204.04173	0.4
206.02377	0.3
213.05644	0.5
216.04306	0.4
222.01701	2.4
225.05571	4.1
226.06303	1.4
227.07146	6.1
229.05057	12.5
230.05803	4.7
231.06558	1.6
232.37831	0.3
243.06636	29.7
244.07353	9.6
245.07901	0.5
255.13980	0.5
267.06586	1.9
299.12927	20.0
300.13318	1.3
325.10825	5.4
328.05215	0.4
343.11877	100.0
344.12222	12.1
344.16464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1188
Annotation	MLS002695095
Peak:m/z	Relative Intensity
59.01385	1.2
90.82454	0.6
91.05550	2.0
103.05532	7.1
107.05043	1.7
118.04266	13.4
119.05045	11.1
132.02185	2.3
134.03743	3.5
135.04527	0.7
145.02928	1.7
147.04538	24.7
148.04866	1.5
155.08699	1.1
162.03247	10.0
163.04010	2.4
173.02435	1.6
175.03961	0.6
177.01903	1.1
185.06186	0.8
187.07668	0.8
189.01956	1.5
190.02733	33.2
191.03517	51.8
192.03902	2.6
199.07674	2.3
201.01884	3.8
203.03517	2.8
217.01479	1.5
218.02199	0.7
219.02963	4.2
222.01698	6.9
229.05035	1.5
230.05835	1.0
243.06644	20.1
244.07077	1.9
247.06090	0.7
252.88570	0.6
255.06688	0.9
256.07169	0.7
257.08221	1.5
259.06277	1.5
267.06903	0.9
282.05338	0.9
285.07639	3.0
313.07309	2.0
325.10822	2.5
328.09488	4.6
328.13263	5.4
343.11887	100.0
343.15601	15.1
343.20856	2.1
344.12143	10.0
344.15500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54518	0.2
53.99112	0.2
54.70723	0.2
59.01390	0.6
69.31741	1.1
69.54235	0.2
71.01384	0.3
73.02965	0.2
74.99103	7.6
89.02465	0.2
94.22456	0.2
101.02454	0.5
108.02177	0.8
109.02966	0.5
111.04517	0.5
120.99662	0.3
121.02998	0.5
122.03748	10.5
122.04639	0.5
135.04536	0.9
136.99156	8.5
137.02502	0.3
137.06091	1.8
148.05325	0.6
154.02812	0.3
163.07649	0.7
181.08716	100.0
182.09041	5.9
343.14096	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	343.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00425	0.7
56.01888	0.6
59.01376	0.6
70.72365	1.1
77.99369	0.6
81.64921	0.6
83.05056	0.8
104.66454	0.6
115.29422	0.7
117.03455	2.4
118.04285	3.3
131.05045	1.2
133.02936	3.5
134.03734	1.5
145.02988	3.6
147.04570	2.6
159.04515	2.5
161.02466	17.3
162.03265	6.3
171.10312	0.8
173.06100	0.7
175.04056	2.8
177.01913	0.9
189.01967	10.4
189.09203	1.0
190.02734	26.2
191.03140	1.6
192.03406	0.8
199.07547	0.9
201.01959	2.2
201.11343	1.1
203.03531	25.0
204.04070	1.9
205.05078	0.9
217.08722	4.1
222.01663	3.8
229.04968	0.8
231.06664	0.8
243.06616	12.5
245.08221	11.9
256.14761	3.4
257.08121	1.4
269.08328	2.2
272.14169	2.0
300.13608	0.8
311.12842	2.7
313.10727	1.4
328.09155	1.5
328.13193	50.9
329.13495	5.9
343.15518	100.0
343.24722	2.9
344.15884	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	343.155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98023	0.5
63.01967	0.6
63.82309	0.6
64.98204	0.6
69.22407	2.1
69.22811	0.9
71.01198	0.6
75.55278	0.6
104.02694	2.0
105.03513	1.1
118.04259	2.8
120.02193	0.7
131.05002	0.7
132.02222	1.2
133.02979	3.7
145.02962	4.8
147.61417	0.6
148.01752	3.1
157.06583	1.6
161.02455	2.5
162.03256	4.2
173.06073	3.2
177.01939	3.8
185.06035	1.9
189.01955	16.1
190.02727	20.8
191.03143	1.6
199.07538	1.3
201.01944	2.1
201.05559	2.9
203.03511	2.6
204.04288	3.1
211.07661	1.8
216.04308	3.5
222.01735	1.7
223.07727	0.6
225.09277	1.5
228.04295	0.7
229.05077	7.9
230.05789	1.7
243.06598	4.3
253.05072	2.5
255.06580	3.6
256.14862	0.8
265.12314	0.7
267.06589	5.5
269.08215	29.8
269.11212	1.5
270.08524	3.1
291.79181	0.7
295.09787	1.2
309.11301	0.7
311.12900	16.9
312.13318	1.8
313.10880	12.9
314.11194	0.9
327.12421	3.2
328.13162	34.1
329.13504	4.7
343.15506	100.0
344.15909	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	343.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73947	1.5
70.81343	0.4
86.88112	0.4
95.01348	0.4
98.21909	0.5
104.02676	1.8
107.05034	1.6
118.04222	1.2
120.02207	0.5
130.04198	0.4
133.02917	0.5
134.03705	0.7
145.02969	2.1
148.01653	1.5
155.08722	2.2
156.05746	0.7
161.02454	1.7
162.03217	1.6
171.08159	4.1
173.02368	0.4
173.06035	0.7
181.06624	0.5
182.21046	0.4
183.04492	0.5
185.05992	0.7
187.07651	3.6
189.01924	6.1
190.02705	9.8
197.06061	0.7
198.06808	1.0
199.07660	9.3
200.07961	0.5
201.01927	4.2
201.05556	1.7
203.03508	5.1
204.04269	0.8
211.07542	0.5
213.09174	0.7
215.07130	3.2
216.04288	2.2
222.01704	1.2
225.05624	0.7
226.06317	0.6
227.07181	0.8
229.05019	1.6
229.08702	0.5
230.05733	1.1
239.07187	0.8
243.06619	100.0
244.07042	6.8
256.14575	0.7
257.08197	9.2
258.08731	1.3
259.06146	1.5
269.08081	0.6
272.14151	0.8
300.13681	0.6
311.12888	10.8
312.13226	1.0
313.10870	0.9
327.12317	1.3
328.13159	40.5
329.13470	2.7
343.15503	90.1
344.15842	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55598	1.3
95.19254	0.7
104.02711	1.6
107.05004	1.2
145.02991	1.8
155.08652	1.0
161.02454	1.9
171.08177	3.1
173.06027	1.0
187.07719	4.0
189.01895	4.9
190.02702	4.6
199.07681	6.5
201.01949	3.6
201.05563	1.5
203.03537	1.0
215.07159	2.5
225.05586	0.9
229.05217	1.1
243.06636	100.0
244.06975	9.2
245.04578	0.9
256.14713	0.8
257.08170	1.8
269.08218	1.0
311.13052	1.5
313.10867	4.9
314.11163	0.9
328.13190	38.7
329.13589	3.4
343.15524	98.2
344.15808	10.1
352.57629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98415	1.8
85.06606	0.8
85.81575	0.8
104.02661	1.0
107.05037	1.8
118.04246	1.5
145.02959	1.7
155.08684	2.6
161.02409	1.7
162.03230	2.1
171.08179	2.9
173.02457	2.4
173.06024	0.9
175.04027	2.6
175.35027	0.8
181.06644	0.9
187.07588	3.7
189.01958	3.3
189.05571	2.8
190.02730	10.9
191.03035	1.2
199.07693	6.4
201.00047	1.4
201.01945	24.0
201.05626	1.2
202.02516	3.0
203.03487	4.6
213.05589	0.9
215.07147	3.1
217.05115	5.3
222.01720	2.4
230.05835	1.5
243.06622	86.2
244.06996	7.7
245.04544	4.5
257.08249	4.8
257.11844	1.2
269.08438	0.9
272.14142	1.6
300.13504	0.9
311.12726	0.9
313.10983	0.9
328.13177	43.9
329.13574	6.3
343.15497	100.0
344.15845	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27446	0.8
55.30768	0.7
57.43724	0.6
70.48933	1.7
108.20889	0.8
118.04259	17.4
119.04585	0.7
134.03740	3.3
145.02992	10.3
161.02448	2.8
162.03244	14.6
169.57816	0.7
173.02451	1.0
189.01952	25.5
190.02728	100.0
191.03050	5.6
192.26939	0.8
197.06068	1.3
204.04228	3.4
204.25909	0.7
205.05075	19.6
206.05376	1.2
207.98720	0.7
215.07158	0.9
222.01662	1.5
237.37947	0.7
241.05072	0.8
242.05623	1.0
243.06740	0.9
259.06177	3.1
310.12018	1.6
311.12921	1.0
325.14435	0.9
328.13229	11.5
329.13144	0.8
343.15497	70.3
344.15839	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.7
70.35001	1.1
71.73174	0.4
83.01410	0.9
92.92816	0.6
104.02690	1.0
105.00851	0.5
107.05012	1.9
118.04255	1.0
133.02950	1.1
143.08643	0.7
145.02957	1.8
148.01643	1.9
154.86809	0.5
155.08649	0.6
161.02464	2.5
162.03242	1.3
171.08165	4.0
173.06131	0.7
175.04047	0.5
180.44809	0.5
185.06104	0.6
186.06799	0.6
187.07657	2.5
189.01947	6.6
190.02730	8.8
191.03098	0.5
197.06071	1.0
199.07657	8.3
200.08014	0.6
201.01950	4.4
201.05626	2.2
202.02498	0.7
203.03506	6.6
204.04218	1.0
213.09181	0.9
215.07173	3.6
216.04285	2.3
217.04829	0.5
222.01651	1.9
225.05627	1.2
227.07048	1.0
229.05060	2.2
230.05743	1.4
231.06602	0.9
239.07079	0.6
243.06630	91.9
244.07043	8.2
256.07370	0.6
257.08224	10.0
258.08661	1.9
259.06128	2.5
269.08240	1.2
283.10458	0.5
283.13644	0.7
306.02744	0.6
311.12897	12.1
312.13339	1.3
313.10718	1.4
327.12341	0.7
328.06610	1.1
328.09076	0.8
328.13177	40.0
329.13547	3.5
343.15515	100.0
344.15839	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	343.1553
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
59.01356	1.0
71.11317	0.9
98.66862	0.7
104.02704	1.7
105.03472	1.0
118.04240	1.9
133.03000	3.1
145.02968	4.5
148.01735	1.7
149.02522	0.8
157.06567	1.0
161.02484	2.2
162.03236	2.9
173.06081	1.9
177.01973	3.0
185.06093	1.7
189.01950	14.7
190.02737	16.8
190.52899	0.6
191.03264	0.7
199.07701	1.0
201.02010	1.7
201.05595	2.9
203.03494	2.7
204.04312	2.2
211.07634	1.9
215.07230	0.6
216.04250	2.9
222.01691	3.6
223.07715	0.7
225.09256	1.3
229.05074	6.8
230.05859	1.9
236.03339	0.9
243.06667	9.2
244.07249	2.0
251.97659	0.7
253.05128	2.4
255.06682	3.5
256.14551	1.0
258.85464	0.6
259.06128	1.0
267.06659	5.4
269.08206	30.2
270.08621	2.4
283.13507	1.7
295.09763	1.0
311.12924	15.2
312.13275	1.7
313.10846	11.9
320.85812	0.6
325.27432	0.7
327.12442	2.1
328.13171	32.8
329.13559	4.0
343.15518	100.0
343.28647	1.7
344.15881	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	343.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18288	0.6
56.46367	0.5
59.01377	0.6
70.65849	1.2
79.60414	0.5
92.39471	0.6
98.03706	0.6
104.02679	1.5
107.05043	1.4
117.03471	0.6
118.04235	1.6
126.21801	0.6
133.02980	1.2
134.03767	0.8
145.02959	2.2
148.01653	1.6
155.08688	1.5
156.05801	0.7
161.02448	1.7
162.03188	1.3
171.08218	3.0
173.06123	0.9
185.06116	1.0
187.07602	3.0
189.01961	5.9
190.02722	8.2
199.07645	8.0
200.08034	0.7
201.01974	4.9
201.05582	2.2
203.03510	4.6
204.04205	1.1
215.07153	2.7
216.04298	1.5
222.01668	2.0
229.05084	0.9
230.05858	1.4
233.95860	0.7
239.59337	0.6
243.06635	79.9
244.07040	8.2
256.14651	0.6
257.08163	8.0
258.08698	1.2
259.06094	1.8
269.08200	1.5
269.21454	1.0
295.23148	0.7
297.46741	0.7
311.12881	10.5
312.13251	0.8
313.10944	1.3
327.12689	0.9
328.13184	37.1
329.13522	4.9
343.15515	100.0
344.15894	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	343.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29725	0.3
69.11789	0.8
69.12204	1.2
93.03464	0.3
101.36462	0.4
104.02695	2.0
104.47367	0.3
105.03449	0.7
117.03474	0.5
118.04276	2.1
120.02220	0.4
122.32327	0.3
132.02216	0.4
133.02979	2.9
134.03748	0.6
138.07025	0.3
145.02977	4.3
148.01666	1.8
149.02444	0.5
157.06621	1.2
158.03748	0.3
161.02504	2.0
162.03236	2.7
171.08224	0.4
173.02371	0.5
173.06091	2.1
176.01111	0.6
177.01936	3.1
185.06122	0.8
189.01961	15.0
190.02719	17.0
191.03131	1.0
197.06071	0.5
197.09758	0.4
199.07690	1.7
201.01944	1.7
201.05606	2.6
201.26744	0.3
203.03526	2.4
204.04248	3.3
205.04913	0.4
205.97614	0.3
209.05803	0.4
211.07758	1.9
211.13419	0.3
213.05437	0.5
216.04272	2.1
217.01369	0.4
222.01707	2.9
223.01978	0.4
223.07663	0.6
225.09114	0.9
226.09856	0.4
229.05070	6.5
230.05733	1.8
236.03329	0.9
243.06631	9.6
244.07422	2.1
251.10707	0.3
253.05107	1.6
253.12285	0.4
255.06770	2.5
256.03796	1.7
256.07141	0.4
256.14636	0.8
257.04388	0.4
267.06653	3.9
269.08221	27.5
270.08661	2.0
271.13416	0.5
283.13498	1.1
284.03336	3.8
285.03812	0.7
285.07718	0.6
295.09787	0.9
296.10339	0.4
299.05612	1.1
299.12881	0.9
309.11017	0.5
311.12924	14.8
312.13303	1.4
313.10834	12.8
314.11288	0.7
315.05176	0.8
327.12402	2.5
328.13177	33.5
329.13538	3.1
343.04892	3.0
343.11899	9.1
343.15515	100.0
344.12210	1.0
344.15881	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	343.155
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27699	0.3
69.12048	2.6
79.23846	0.4
81.03455	0.4
86.48902	0.3
104.02664	1.2
107.05002	1.5
116.80994	0.4
117.03475	0.7
118.04249	0.9
125.57466	0.3
130.86588	0.4
133.02943	1.1
134.03746	0.4
143.08598	0.4
145.02956	2.2
147.04474	0.5
148.01624	1.3
155.08636	1.8
156.05721	0.7
157.06599	0.5
158.54964	0.3
161.02428	1.8
162.03204	1.5
171.08189	2.8
173.06030	0.5
177.01840	0.5
181.06595	0.6
187.07640	2.5
189.01930	6.5
190.02715	9.1
191.03311	0.6
197.05914	0.4
198.06970	0.5
199.07646	9.1
201.01959	2.9
201.05586	1.8
203.03479	3.9
204.04256	1.3
213.09224	0.6
214.06465	0.3
215.07100	2.0
216.04222	1.9
222.01682	1.6
225.05540	0.8
227.07274	0.4
229.05075	2.0
230.05768	1.7
239.07248	0.5
243.06610	89.0
244.07022	7.2
245.08141	0.5
256.14694	0.5
257.08209	7.0
258.08777	1.8
259.06192	1.2
269.08292	0.8
272.14212	0.5
283.13489	0.5
284.03149	0.5
300.13626	0.8
301.20050	0.6
311.12881	9.7
312.13153	0.7
313.10782	1.0
325.10556	0.4
327.12473	1.0
328.13159	34.6
329.13483	3.8
343.12375	4.2
343.15491	100.0
344.15845	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	343.1552
Annotation	Ptilosin
Peak:m/z	Relative Intensity
69.83291	0.5
69.90706	0.5
69.91028	1.2
73.61619	0.4
74.15801	0.4
97.17443	0.5
97.68552	0.4
107.05040	0.8
145.03015	0.8
155.08649	0.6
156.15132	0.5
159.08154	0.9
161.02390	0.6
162.03220	0.6
167.47186	0.5
169.06601	0.6
169.19348	0.5
171.08189	1.0
172.05275	2.4
174.69621	0.5
176.01193	2.7
177.01942	1.4
187.07671	4.0
189.01927	1.6
190.02744	3.4
190.99869	0.8
197.06088	0.8
199.04036	0.6
199.07611	1.7
200.04829	4.8
201.02000	0.7
201.05511	0.6
203.03569	1.2
203.07112	1.1
204.00652	11.4
205.01337	2.6
206.02197	1.8
215.07152	7.4
216.00586	1.1
216.04358	1.0
216.07256	0.6
217.01436	1.6
222.69855	0.5
229.01506	0.6
231.06639	8.3
232.06897	0.8
241.05084	1.6
243.06651	16.5
244.03754	1.4
244.06955	1.5
257.08218	1.6
259.06122	100.0
260.06461	7.6
271.09076	0.5
311.12881	2.1
312.12701	0.4
328.13181	46.2
329.13528	6.0
343.15521	60.4
344.15887	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	343.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06688	1.0
50.71417	0.8
55.01873	1.0
57.03457	12.3
58.88136	1.1
59.01375	7.0
69.03464	20.7
70.41232	0.8
70.59049	1.7
71.01385	4.1
73.53231	0.9
77.44607	1.0
83.01395	11.3
85.02957	12.7
85.52985	0.9
87.04522	11.4
95.01397	2.6
113.02457	49.8
121.02983	1.0
125.09740	1.6
127.11330	1.5
128.09360	1.0
131.03516	65.3
132.03896	2.2
155.10815	2.9
167.06308	1.3
167.14325	1.0
171.10336	3.6
181.12289	1.7
183.13972	1.6
197.11850	1.7
199.13435	4.3
201.11403	4.5
209.11909	1.7
209.91684	1.1
211.13452	8.3
215.07246	2.2
229.14450	100.0
230.14806	7.3
237.15045	1.4
252.31781	0.9
271.09830	1.5
281.21176	1.0
283.19214	2.1
299.09201	2.6
301.20261	7.9
302.20367	1.3
325.20230	4.1
328.46805	0.9
343.12009	1.6
343.17517	8.8
343.21295	18.9
344.17841	1.3
344.21616	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
56.64159	0.7
57.03449	11.8
58.00594	1.4
59.01384	7.8
66.63593	0.7
69.03460	17.5
69.41239	1.4
69.41628	1.7
71.01389	4.8
71.05019	1.4
81.03437	1.0
83.01389	7.0
83.05039	2.2
84.02187	1.4
85.02952	12.3
87.00816	0.7
87.04522	16.3
95.01394	1.0
95.05022	2.0
97.06586	2.3
109.06581	1.5
113.02462	37.6
117.39314	0.7
123.08155	1.7
125.09716	2.4
127.11306	2.6
130.30829	0.8
131.03516	85.3
132.03802	1.8
155.10762	1.4
155.14415	1.1
165.12872	1.4
167.14346	1.1
171.10339	6.1
175.12788	0.7
183.10249	0.8
183.13976	1.7
193.12268	0.9
197.11784	1.3
199.13455	0.9
201.11378	2.5
203.60635	0.7
209.11884	6.0
211.13426	11.6
215.12962	0.8
217.02946	0.7
229.14456	100.0
230.14789	6.4
237.14839	1.0
247.99280	0.9
283.19125	2.3
301.20157	8.2
307.19073	1.2
325.20236	2.5
343.17505	8.6
343.21277	39.2
344.18039	1.0
344.21716	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	343.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
58.36387	0.6
59.01385	29.9
69.03473	0.6
69.40914	3.0
71.01395	1.1
71.05011	0.9
84.02203	0.7
85.06595	1.9
88.04034	0.7
97.06583	4.1
99.08159	0.7
111.08194	1.0
113.06091	0.8
113.09752	0.9
115.07666	4.8
121.02967	0.6
129.09230	1.9
139.11250	0.8
143.07170	0.9
143.10809	1.4
155.10803	1.1
157.12340	4.0
174.47092	0.6
174.99281	1.4
177.16487	1.8
185.01418	0.6
211.13329	0.8
213.00871	2.1
235.17264	0.6
237.18666	2.2
255.19572	0.9
265.18152	1.0
275.36172	0.6
283.08710	6.2
283.19193	24.4
284.19565	2.0
301.20239	100.0
302.20612	8.9
315.21518	0.8
325.20264	2.5
343.15158	1.3
343.16702	0.9
343.21286	18.6
343.25293	1.3
344.21603	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	343.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62967	0.8
57.03456	1.7
59.01388	23.7
67.05542	1.0
69.03136	0.8
69.03458	5.3
72.99339	4.1
83.05026	5.8
85.06602	2.9
99.08167	3.4
111.04545	7.8
133.10242	1.3
135.11844	5.6
136.01149	0.7
164.18906	0.9
165.40108	0.7
171.10289	1.2
171.13934	3.6
190.18042	0.8
190.42741	0.8
221.19006	1.1
237.18681	5.4
265.18164	4.4
283.19193	7.2
284.03311	4.6
299.05582	2.0
301.20242	100.0
302.20633	6.7
343.04446	1.4
343.21292	17.5
344.21555	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	343.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
59.01386	24.1
60.01701	0.5
68.99809	1.7
69.03461	2.5
71.01381	0.6
71.05021	4.2
72.99312	3.3
80.05048	1.4
83.05036	3.7
87.04465	0.6
97.06573	1.1
99.08154	1.8
111.04533	7.7
111.08160	0.7
115.07642	1.2
123.08205	0.5
125.09733	0.6
129.09235	2.1
132.04570	3.7
136.07664	2.6
150.05626	1.4
163.14948	3.8
171.13913	1.9
185.11865	0.5
191.18111	0.8
197.11839	1.0
201.11362	0.8
217.15939	0.5
219.17595	1.2
221.19218	1.1
225.18591	1.1
229.14494	0.5
237.18608	10.3
238.19035	0.7
245.14067	0.8
258.22626	0.5
265.18124	4.9
281.12988	1.6
283.19208	9.6
299.14005	1.2
301.20236	100.0
302.20575	8.5
315.21539	0.7
325.20300	2.0
343.21295	23.7
344.21530	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	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81609	0.5
69.81990	0.4
87.00863	0.9
98.08670	0.2
98.21945	0.3
105.01942	4.0
109.32598	0.2
136.17422	0.2
164.89355	0.3
222.45293	0.2
237.22136	0.4
255.23312	100.0
256.23672	8.8
256.25839	0.2
269.35175	0.2
312.65134	0.2
343.15613	0.5
343.24832	0.9
344.22064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
54.51749	0.5
57.03458	0.9
59.01374	1.1
64.58337	0.6
65.44724	0.6
69.03464	0.6
71.04783	0.7
71.71838	0.6
83.05021	1.2
97.06570	0.8
99.08157	7.0
121.10239	5.4
125.09736	1.7
125.96095	0.6
127.11256	1.2
128.64597	0.6
131.09337	0.6
137.09738	1.9
162.06303	0.7
171.10284	36.4
172.10629	1.7
193.12367	10.3
194.12752	0.7
211.13458	2.8
225.14975	15.2
225.17044	1.1
226.15298	0.9
226.40419	0.7
243.16020	5.0
293.21262	3.2
325.24280	0.8
343.24921	100.0
344.25235	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	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01356	1.7
66.35167	1.1
94.53059	1.1
99.08177	4.6
121.10238	7.6
127.11296	2.2
137.09727	1.5
139.11362	1.6
164.05804	1.0
171.10291	50.1
172.10626	2.7
193.12338	5.0
211.13368	1.6
220.45906	1.0
225.15002	7.2
243.15974	2.3
289.18066	3.6
293.21344	1.8
343.24927	100.0
344.25186	9.3
365.30408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
69.03448	2.2
70.03182	3.4
72.18199	1.8
73.17384	1.5
73.25985	1.5
93.83083	1.8
97.06606	2.3
98.21938	2.6
99.08164	12.2
125.09730	2.7
145.04979	1.8
171.10275	6.5
193.12361	16.3
211.13394	4.3
225.14996	27.3
243.06664	2.1
243.15971	9.1
269.08060	1.7
293.21286	1.9
325.23624	2.1
328.13089	2.7
343.15790	3.9
343.24899	100.0
344.25140	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	343.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
66.13342	2.2
70.64320	3.5
101.89585	2.2
121.10239	14.1
127.35453	2.5
137.09668	2.8
139.11292	4.5
171.10291	73.1
172.10654	4.2
190.66414	2.3
196.34235	2.5
343.24933	100.0
344.25250	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	344.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78934	10.6
59.01384	94.2
60.01695	11.6
71.01404	19.1
120.01249	10.6
123.00900	100.0
123.04520	26.3
124.01682	16.2
138.03215	88.4
138.06456	12.5
139.04025	34.8
161.04575	19.1
181.05101	49.2
182.05472	57.6
183.06627	18.7
201.02568	32.7
202.02643	13.3
202.98656	20.7
213.05240	13.6
256.98392	11.7
301.09351	20.3
319.31516	10.7
361.13181	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	344.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16699	1.2
56.61897	1.1
58.70121	1.1
61.98856	1.4
66.31487	1.1
70.57921	2.1
78.05328	1.1
80.33777	1.1
93.03473	1.4
93.99158	1.1
106.39786	1.1
118.03024	2.6
120.04601	2.3
133.02940	8.2
146.02484	8.1
147.03290	7.9
148.04065	100.0
149.04396	3.7
165.07135	1.2
185.85367	1.1
193.02115	1.6
206.06067	2.6
207.06897	2.0
208.05276	1.5
208.07834	1.2
209.06096	12.1
218.04550	4.6
224.07144	2.7
234.05605	47.8
235.06087	6.3
236.07152	4.5
239.05817	1.8
252.04597	1.4
252.06670	79.5
253.07047	6.9
262.05124	10.4
280.06165	81.8
281.06500	5.5
284.09253	4.6
294.07764	8.7
300.06985	3.6
312.08926	5.6
335.26166	1.3
344.05972	4.6
345.22354	1.2
356.67368	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42150	16.4
67.34619	19.1
69.60331	47.5
69.60722	28.6
80.90483	16.5
110.76172	20.9
190.02655	18.8
243.06732	20.9
244.07014	48.2
329.13470	36.9
344.15799	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	344.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61346	6.6
61.81581	7.0
66.29742	9.4
67.80188	6.9
69.14832	54.7
75.37807	6.8
78.76084	8.2
344.22067	100.0
345.24408	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	345.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88092	7.5
59.01381	58.9
71.01381	19.0
73.02900	8.9
78.95916	80.0
83.55917	7.1
85.02984	10.9
87.38464	7.4
87.88969	7.5
89.02451	12.5
95.01419	11.3
96.96976	13.3
101.02476	9.1
103.98346	7.9
105.01953	9.7
109.02945	8.1
121.03004	27.0
123.00867	24.8
123.04533	35.4
124.01645	19.1
125.30970	7.3
129.00801	7.4
134.04718	14.8
137.02493	11.9
139.00401	12.8
139.04074	15.9
144.88956	8.0
147.04500	19.6
148.04077	19.4
149.02489	48.9
149.99620	19.1
150.03236	69.0
164.04794	12.0
165.04190	9.5
165.05560	100.0
166.99886	25.5
168.00580	9.0
181.05029	16.3
182.05377	9.2
182.99411	9.3
183.03001	23.3
183.06714	22.1
186.95610	8.0
187.01117	10.5
197.04538	14.7
202.98676	17.5
211.00020	10.0
248.96176	12.6
290.97214	20.5
313.05676	8.7
327.05118	11.4
330.05975	11.0
345.08170	32.2
346.05347	15.1
355.05069	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	345.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19898	0.7
50.23372	0.6
57.03446	2.1
57.61611	0.6
58.22896	0.7
59.01386	10.4
61.30385	0.6
67.01896	0.7
69.42300	1.6
69.42711	2.0
71.01385	5.0
72.99329	3.6
73.99505	0.6
75.00880	21.1
78.01114	1.4
83.01402	1.4
85.02961	5.0
87.00937	0.9
89.00341	2.8
89.02446	1.7
91.01938	0.9
93.03456	0.8
99.00887	2.6
101.02454	1.3
106.00594	4.2
111.00889	3.0
113.02403	0.9
121.02971	58.8
122.03309	1.6
123.00874	3.0
127.00358	1.1
128.25516	0.7
129.01967	6.7
133.02979	2.8
135.04547	1.1
136.98799	1.2
137.02415	1.0
138.03242	5.4
139.00388	1.5
139.03970	1.3
147.03011	24.0
148.03319	0.9
150.05623	1.2
153.05591	39.9
154.05952	1.6
161.08231	3.2
165.04050	14.1
166.99869	1.5
177.01953	1.5
182.02209	6.3
183.10240	0.8
191.05664	1.5
197.04570	100.0
198.04904	5.1
268.84525	0.8
327.06995	1.3
345.08139	14.2
346.08685	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	345.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01385	4.4
69.38101	0.5
71.01385	2.7
71.07298	0.7
72.99311	1.1
73.02971	0.8
74.02476	1.1
75.00883	13.6
78.01112	1.5
78.62773	0.5
83.01406	1.7
85.02962	1.9
87.00893	1.4
88.04051	1.5
89.00346	2.9
91.01907	2.0
99.00885	2.2
101.02431	0.6
106.00636	3.8
109.02995	0.6
111.00891	1.9
121.02974	55.1
122.03307	2.0
123.00885	2.1
127.00381	1.1
129.01947	2.3
135.04491	0.6
138.03238	5.3
139.00388	0.6
142.65262	0.5
145.08815	0.5
147.03008	12.1
149.02380	0.8
153.05597	42.6
154.05923	1.0
165.04074	11.1
177.02037	0.5
182.02271	2.8
184.06285	0.5
197.04576	100.0
198.04941	4.7
213.11418	2.4
225.37956	0.4
229.04259	1.4
242.19908	0.4
267.06650	0.8
297.11331	0.7
300.19260	0.8
301.16068	1.1
301.19382	0.7
322.98224	0.5
345.08313	5.9
346.08594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0829
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.03940	0.5
57.03439	0.6
59.01174	0.4
59.01381	4.7
69.03459	1.2
69.38618	1.0
69.39018	1.7
71.01390	2.8
73.02939	0.9
77.03992	0.8
83.01402	2.6
85.02955	1.2
87.00859	0.5
89.02442	2.2
93.03472	0.7
95.01387	0.8
97.02946	1.2
99.00890	1.7
101.02459	1.8
109.02967	1.9
110.00121	1.3
111.00890	3.2
113.02435	1.4
119.03481	1.3
120.99644	1.2
121.02988	2.2
123.00868	0.6
123.04520	1.0
125.02453	0.8
130.08728	0.8
136.98738	0.6
137.02448	6.1
139.00391	2.3
139.04042	1.4
139.07687	0.5
141.01955	3.5
143.97424	0.5
151.03954	1.1
153.01958	3.5
155.03517	0.9
165.01944	7.7
165.99042	3.1
166.99884	1.5
167.03403	0.9
177.01892	0.7
181.01428	6.5
182.02220	100.0
183.02988	86.1
183.04703	1.1
183.10237	0.7
184.03275	3.3
191.20250	0.6
193.05072	0.6
195.02954	2.9
207.02888	0.5
225.04086	1.3
289.07159	1.9
345.08270	60.0
345.15390	2.6
346.08646	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	345.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.2
68.87878	0.6
69.48131	2.4
71.01396	3.1
71.05605	0.6
73.02944	1.0
85.02969	1.2
89.02464	1.6
95.03780	2.2
96.08251	0.9
101.02448	1.9
104.05058	1.4
106.06631	7.0
108.04598	1.0
113.02470	1.4
116.63943	0.6
116.64751	0.6
120.99649	0.7
121.10210	1.0
122.06160	3.2
124.07702	12.6
132.04572	44.9
133.05360	43.0
134.06184	8.7
135.04579	1.5
148.04037	1.6
150.05632	2.3
153.09190	1.0
160.04015	1.2
161.01067	0.7
161.07297	0.9
165.04332	15.3
176.03522	1.9
177.04347	7.9
178.05116	2.7
179.03455	0.9
183.10291	14.8
183.11713	0.6
184.07620	1.0
184.10741	0.7
185.08513	1.5
186.09270	5.2
187.08757	0.9
198.09320	1.0
209.03314	4.2
212.05872	0.6
212.10896	0.8
213.06702	4.8
214.12354	6.8
215.11899	8.7
225.06653	0.7
226.07480	1.3
227.08401	0.8
229.09819	3.9
240.05333	1.0
240.08739	1.1
240.10495	1.9
241.09866	4.0
255.07703	0.9
255.11499	3.1
257.10251	1.3
257.12994	25.4
258.13269	2.6
262.59964	0.8
268.08365	0.7
273.08795	1.4
276.53812	0.7
283.10944	13.2
284.11343	1.0
285.03879	0.8
285.08948	0.8
285.12646	1.7
297.11331	0.8
301.11978	21.6
302.12228	1.6
327.09833	3.8
345.10950	100.0
345.22781	2.4
346.11292	10.3
364.37335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1094
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.09920	0.9
59.01117	1.7
59.01386	16.8
69.18159	5.3
71.01390	11.1
73.02950	1.4
80.05064	1.2
85.02959	2.6
89.02445	7.3
95.03789	3.7
96.08182	2.4
98.22617	2.0
101.02465	4.5
104.05079	2.3
106.06626	7.4
108.04556	1.0
113.02483	4.2
119.03516	3.5
121.10207	1.3
122.06131	4.7
124.07699	18.0
132.03542	1.4
132.04573	61.0
133.05368	65.9
134.06186	10.0
135.04544	2.0
148.04045	2.3
150.05632	3.6
153.09227	2.6
165.04340	17.5
176.03621	3.2
176.07259	1.9
177.04346	12.2
178.05087	4.3
186.05762	1.2
186.09300	5.7
187.08821	1.3
198.09300	2.1
209.03362	4.0
213.06770	5.2
214.12389	10.0
215.11864	9.9
226.07512	1.9
229.09879	5.4
239.12038	1.2
240.10294	3.0
241.09807	6.2
257.12982	49.0
258.13309	3.0
283.10861	13.5
284.76990	1.1
301.11975	34.7
302.12363	3.1
327.09949	2.9
345.10962	100.0
345.15356	8.5
346.11307	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	345.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47289	0.8
85.31554	0.9
89.45731	0.7
90.17754	0.7
100.49446	0.8
100.97229	0.9
102.15770	0.7
103.05540	0.8
105.03457	1.6
118.04263	12.4
122.03741	0.8
123.08147	5.2
133.02956	1.6
134.03738	2.7
145.03011	4.5
147.04494	1.5
148.01587	1.3
149.02383	1.0
150.03201	2.2
158.07385	1.0
159.53294	0.8
161.02431	1.3
162.03227	15.2
177.01927	3.9
178.02682	0.9
185.06018	2.4
187.04028	1.0
189.01939	12.6
190.02730	51.5
190.06326	2.1
191.03334	4.2
192.00676	2.1
202.06218	1.2
203.03471	1.1
211.07626	7.5
212.08319	0.9
215.07140	0.9
222.01678	6.6
225.09256	1.8
229.05040	5.8
230.05804	7.1
243.06595	1.1
245.07942	1.3
255.06720	1.4
267.06668	2.4
269.08194	28.5
269.11212	1.7
270.08548	2.1
283.13492	1.6
285.07669	3.3
287.09308	1.0
289.14465	7.7
301.14526	4.5
311.09628	0.8
311.12906	5.2
312.10089	4.0
313.10837	100.0
314.11197	8.2
317.13962	12.3
318.14243	1.8
327.12354	1.7
328.13055	3.6
345.13461	22.7
345.17786	1.5
346.13657	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	345.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25664	0.6
64.50017	0.5
70.55370	1.1
73.94311	0.5
76.71075	0.6
77.84056	0.5
79.05533	0.6
83.05041	2.2
99.92538	0.8
100.36002	0.6
104.02733	0.7
105.03503	0.9
107.05014	3.2
118.04263	11.3
121.30725	0.5
123.08165	0.7
132.02176	2.1
134.03749	3.0
139.80621	0.6
145.02968	2.5
147.04550	0.8
148.01674	0.8
149.02477	1.1
150.03239	1.5
155.08658	2.2
161.02565	0.6
162.01933	0.7
162.03238	12.8
163.03804	0.8
166.10770	0.5
171.08153	3.8
174.06868	0.5
177.01917	1.4
181.06554	0.9
183.04480	1.0
185.06058	1.7
187.07628	0.8
189.01926	3.7
190.02730	39.8
191.03175	2.6
192.00662	1.4
193.01357	0.8
195.14911	0.6
197.06047	0.9
198.06841	0.9
199.07654	9.5
200.08154	0.8
203.03467	3.5
203.07030	0.7
211.07640	1.3
213.09254	2.3
215.07140	3.4
222.01714	7.7
225.05563	0.7
225.09172	0.7
227.07062	1.0
229.05074	4.9
230.05756	4.7
231.06474	0.9
231.10139	0.6
243.06624	100.0
244.06978	7.5
255.06671	0.7
257.08188	6.4
258.08984	15.4
259.09274	1.2
267.06665	1.0
269.08215	4.7
283.13379	1.2
285.07715	0.8
286.03125	0.6
287.09299	0.9
289.14536	4.5
301.14383	2.5
311.12903	1.2
312.10089	1.1
313.10809	18.6
314.11176	1.3
315.12329	1.8
317.14032	4.9
318.14325	0.8
327.12390	53.9
328.12714	6.6
345.13385	10.6
346.13721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1348
Annotation	Brittonin B
Peak:m/z	Relative Intensity
52.88942	0.5
56.42968	0.5
58.74895	0.5
59.01363	1.6
67.01878	0.6
69.04157	0.5
70.70218	0.9
79.63731	0.5
83.05017	1.0
85.71677	0.6
91.05519	0.7
103.05537	1.5
112.98824	0.5
118.03516	0.8
118.04266	7.9
119.05020	2.0
121.02998	2.7
122.03747	1.3
130.04204	0.5
131.05013	1.9
132.02164	1.0
133.02951	0.6
134.03749	1.2
135.04523	0.8
137.02374	0.5
141.72302	0.6
147.04539	5.5
159.04523	3.5
161.02438	1.0
162.03246	7.0
163.03993	0.7
165.01939	2.3
165.05559	1.0
166.02736	1.1
171.10255	1.0
175.03964	1.0
177.01881	0.8
180.04337	0.9
185.06107	1.8
189.01944	1.5
190.02734	23.6
191.03510	13.4
192.03880	0.8
194.02240	0.9
196.05414	0.6
197.06157	0.8
199.07651	3.3
201.01984	0.7
203.03517	84.7
204.03807	4.5
206.02208	0.6
209.04553	1.9
211.13412	2.0
212.03279	0.8
213.05630	1.8
213.14935	0.9
222.01741	3.9
225.05663	1.3
227.07129	0.7
229.05049	3.9
229.14397	1.2
230.05817	4.3
231.06621	0.9
241.05124	2.3
243.06674	4.9
244.07286	1.3
245.04576	3.2
245.08150	3.0
246.05350	4.0
256.07480	2.2
257.08252	1.2
287.09406	0.6
297.04062	0.9
300.06473	1.0
301.14453	0.7
312.06387	0.6
315.08777	3.6
315.12183	1.1
327.08783	1.5
327.12427	3.5
345.10257	4.2
345.13452	100.0
345.22571	11.7
346.13812	9.4
355.62210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94591	0.4
59.01370	0.5
59.83162	0.4
68.99841	0.5
69.37777	1.7
69.38177	0.8
77.66382	0.4
91.05537	1.8
103.05538	4.5
108.02186	0.8
110.18541	0.4
118.04264	18.5
119.05066	5.2
123.04500	0.6
132.02180	3.0
134.03748	5.0
135.04514	0.5
136.01674	4.4
145.02930	0.6
147.04527	12.9
150.03244	0.5
151.04022	5.0
161.02467	0.8
162.03244	16.9
163.03908	1.1
173.02403	1.1
176.01152	0.4
178.02682	1.4
185.06136	0.6
189.01999	0.8
190.02731	57.0
191.03502	34.3
191.05325	1.0
192.03912	1.6
193.05052	1.4
201.01945	0.5
203.03493	2.1
216.04257	0.8
222.01720	8.9
223.02071	0.7
227.07330	0.4
229.05078	2.3
230.05873	1.9
231.06592	2.2
243.06602	2.4
246.05399	1.1
257.08234	1.5
259.06146	3.5
260.06311	0.4
266.56784	0.4
269.08112	0.6
287.09317	0.8
327.12424	1.6
345.13437	100.0
346.13818	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	345.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05459	0.5
59.01389	0.6
62.17091	0.5
69.20915	1.6
69.21346	1.8
74.18601	0.5
83.05042	1.2
89.06863	0.5
96.09575	0.5
98.94380	0.6
118.04263	8.3
119.04956	0.6
132.02161	1.6
133.53371	0.5
134.03752	2.6
136.90202	0.7
145.02943	2.4
147.04500	1.4
149.00925	1.1
161.02466	1.3
162.03241	10.4
167.68597	0.5
168.75740	0.5
177.01956	0.8
185.06050	1.7
189.01929	5.4
190.02724	35.7
191.03380	4.9
197.05995	0.8
199.07640	2.5
201.01947	0.6
203.03566	1.6
211.07686	0.7
213.05482	1.1
213.14984	3.1
222.01711	4.2
229.05054	4.5
230.05774	3.6
231.06351	0.6
239.06995	1.0
243.06613	3.4
244.06979	0.6
245.08214	14.0
255.06750	0.8
257.08243	2.4
273.07700	14.0
273.10468	1.1
274.08026	1.0
287.09323	1.0
315.12616	0.7
345.13440	100.0
346.13736	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
70.73312	0.6
71.75115	0.6
81.29952	0.5
83.05032	1.0
85.62206	0.6
87.00884	2.1
87.88690	0.6
88.69614	0.5
97.02997	0.5
103.00381	0.8
103.05534	0.5
105.03503	0.6
112.98829	1.6
113.83961	0.5
118.04257	8.0
134.03746	2.0
145.02951	1.4
147.04524	1.4
149.00935	2.2
162.03252	8.8
162.59987	0.6
163.03641	0.6
178.52609	0.6
185.06100	1.7
189.01944	4.7
190.02727	33.5
191.03445	4.9
199.07675	2.4
201.09209	0.9
203.03511	2.4
211.03978	0.7
211.07700	0.7
213.05603	0.8
213.14964	7.4
222.01701	4.3
227.07237	0.7
229.05025	3.0
230.05820	4.2
239.07019	0.7
243.06667	3.6
244.07382	1.0
245.08183	14.5
255.06728	1.2
256.07507	0.9
257.08231	3.1
273.07690	12.6
274.08044	0.7
287.09421	0.7
327.12253	1.9
345.13446	100.0
345.22540	2.4
346.13812	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	345.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
63.31374	0.5
66.14861	0.5
67.47260	0.5
70.91150	0.7
71.17525	0.7
112.16856	0.5
118.04257	8.8
125.49519	0.6
132.02168	3.3
134.03734	1.8
145.02966	1.4
147.04526	1.0
161.02385	0.6
162.03238	9.4
185.06091	2.1
189.01970	1.3
190.02728	31.0
190.93913	0.5
191.03406	3.1
198.07013	0.6
199.07625	4.2
201.01849	0.6
201.05573	0.6
202.02818	0.6
203.03508	1.1
213.05495	0.8
222.01759	5.7
227.07153	0.9
229.05051	6.1
230.05814	6.3
230.50612	0.6
231.06627	0.9
243.06604	5.5
244.07288	1.1
245.08237	1.0
256.51385	0.6
257.08249	1.1
262.62662	0.6
287.09235	8.2
301.07114	0.9
301.14447	0.8
315.12354	5.6
327.12332	1.6
328.97043	0.6
345.13437	100.0
345.22504	1.9
346.13840	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	345.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01360	1.3
61.06173	0.5
69.09329	2.0
70.71482	0.4
75.04783	0.4
79.98544	0.4
82.19007	0.5
85.67799	0.5
101.06094	0.6
118.04266	4.9
132.02179	1.9
134.03757	1.3
147.04471	0.9
162.03271	4.5
177.01950	0.7
183.04297	0.7
185.06039	1.1
189.02014	1.5
190.02733	19.8
191.03369	1.8
192.00642	1.5
197.06183	0.6
199.07658	3.1
201.02002	0.7
203.03514	3.7
211.07576	0.6
217.76178	0.5
222.01663	5.5
225.05582	0.5
227.07210	0.7
229.05092	3.2
230.05836	2.8
231.06535	1.3
243.06604	9.3
244.07138	1.2
245.08174	0.9
246.05324	0.5
256.07474	1.1
257.08170	2.5
258.08932	0.5
269.08322	0.8
271.06125	0.6
283.13437	1.3
286.08627	0.4
287.09268	1.8
301.14508	1.5
303.21753	2.6
315.12427	12.8
316.12683	0.7
326.97610	0.5
327.12384	1.6
330.10977	0.5
345.13440	100.0
346.13782	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	345.1345
Annotation	Eremantholide C
Peak:m/z	Relative Intensity
59.01381	0.5
70.91476	0.8
91.05547	2.6
103.05544	8.8
116.03387	0.4
118.04257	1.4
119.05037	12.3
120.05412	0.5
132.02170	1.5
134.03732	0.8
135.04482	0.8
147.04529	29.1
148.04915	1.0
148.14919	0.4
162.03255	2.0
163.04007	3.1
189.01964	0.4
190.02730	5.5
191.03508	50.9
192.03853	2.2
203.03447	1.5
205.01492	0.8
206.02234	0.6
211.07658	0.6
213.15015	0.5
214.76239	0.4
217.01488	1.0
217.79855	0.4
222.01738	1.1
243.06651	1.8
246.05495	0.8
253.06882	0.5
255.06717	0.5
256.07422	0.6
257.08206	0.6
257.15472	0.7
301.14529	0.6
315.00955	0.5
317.13937	0.5
327.12366	8.7
328.12878	1.0
343.12042	0.8
345.13437	100.0
346.13815	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	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.6
59.78725	0.4
59.86811	0.4
60.01693	0.4
61.37958	0.4
62.33035	0.4
70.05527	0.5
70.05860	0.9
71.01424	0.4
72.99307	1.1
84.99317	1.3
86.53050	0.4
87.00884	12.5
87.33306	0.4
103.00377	9.1
104.30078	0.4
109.02938	0.4
112.98826	18.3
113.99155	0.5
130.99861	1.8
149.00935	1.2
160.13808	0.5
183.12352	0.9
183.13907	12.1
184.14307	1.0
193.34297	0.4
195.13905	11.0
196.14235	0.7
211.13448	0.4
213.14973	100.0
214.15323	7.2
248.09169	0.4
282.94199	0.4
312.09558	0.6
315.11996	0.6
330.10916	0.5
345.16010	2.4
345.22662	1.4
352.28857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49605	0.4
57.03453	5.6
58.05603	0.4
59.01380	4.0
69.03460	13.6
71.01395	2.7
71.05022	4.0
71.15775	0.4
73.02933	0.8
75.00847	0.4
83.05009	0.4
83.93162	0.5
85.02966	1.0
85.06596	0.5
89.02432	0.9
93.03441	0.5
98.21882	1.0
99.92581	1.5
100.93355	2.6
101.02467	1.4
109.02990	1.1
111.08176	4.2
113.02452	1.4
113.06100	1.9
115.07653	0.5
115.92095	4.1
116.92860	1.0
120.99689	0.4
121.02975	1.7
122.03749	1.4
123.08192	1.4
134.03873	0.5
135.04546	0.6
139.11311	22.1
140.11647	1.2
147.04544	1.4
157.07803	0.5
165.05585	2.1
171.10292	1.0
179.07153	0.9
183.10281	100.0
184.10635	5.5
211.13449	2.4
219.95357	0.5
225.11392	0.8
229.14381	1.3
345.01831	0.6
345.09579	0.5
345.15952	1.0
345.22784	8.3
346.14114	1.3
346.23123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03462	0.9
59.01387	10.7
60.47441	0.8
69.20814	5.0
71.01383	8.5
73.02966	2.1
85.02956	2.4
89.02454	3.9
99.00900	0.9
101.02468	6.9
113.02431	3.5
119.03496	1.5
121.10239	4.9
134.40347	1.0
140.64944	0.9
148.53488	0.9
161.04634	2.3
182.64319	0.9
183.10278	100.0
184.10660	4.7
207.10254	1.2
217.14151	0.8
232.29744	0.9
237.11592	0.8
291.36642	0.8
345.10849	1.3
345.15500	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	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
57.03456	2.2
58.00603	1.6
59.01385	100.0
64.16724	1.0
69.34389	3.4
69.34802	1.7
71.01390	44.8
73.02953	7.3
83.01396	4.5
85.02956	13.8
87.00885	1.7
89.02455	38.6
92.42067	1.0
95.01398	4.0
99.00893	1.8
101.02454	33.9
112.67826	0.9
113.02457	17.2
119.03516	18.7
121.10246	8.7
125.02450	1.1
131.03563	1.1
149.04482	1.0
153.04039	1.0
161.04584	2.2
165.09207	1.4
179.05692	1.6
179.51578	1.2
183.10269	24.4
203.03513	1.4
292.82080	1.2
326.13379	1.2
345.15576	50.4
345.22455	2.0
346.15994	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	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90216	0.8
55.01871	3.1
57.03435	1.4
57.08281	0.8
58.00605	1.1
59.01385	100.0
60.01701	1.0
70.45081	2.0
71.01388	47.9
72.99294	2.5
73.02956	5.6
77.20959	0.8
83.01393	6.2
85.02956	15.4
89.02453	42.2
95.01403	3.3
98.21952	0.9
99.00882	1.9
101.02453	36.2
113.02463	18.2
119.03515	21.4
120.03834	1.2
120.99695	7.0
121.10237	6.0
123.04548	0.9
131.03508	1.8
139.07607	1.4
143.03526	1.6
161.04582	2.4
165.09213	1.5
179.05603	1.6
219.34393	1.0
246.48444	1.0
260.41693	0.8
345.15570	50.5
346.15811	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	345.1558
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
55.01872	1.4
57.03444	1.5
58.00596	1.0
59.01384	90.4
61.98834	8.9
63.11463	0.9
69.03447	1.4
69.55517	3.2
71.01389	38.2
72.99316	3.9
73.02937	1.5
80.57809	0.9
83.01406	2.0
85.02957	8.1
87.00882	3.7
89.02453	32.4
95.01393	4.0
100.07677	1.7
101.02460	25.8
109.01690	3.4
112.98830	3.0
113.02456	12.0
118.42242	0.9
119.03510	16.0
119.08666	1.0
121.10249	48.7
122.10558	2.6
131.03566	1.2
137.09721	9.7
142.89005	1.4
143.03513	1.5
161.04530	1.5
165.09221	76.4
166.09583	4.7
176.89909	0.9
179.05675	2.2
183.10277	42.3
184.10651	2.8
213.14989	25.8
214.15314	1.6
317.08447	1.1
318.58633	0.9
345.15558	100.0
345.22726	4.1
346.15891	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	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.6
59.78725	0.4
59.86811	0.4
60.01693	0.4
61.37958	0.4
62.33035	0.4
70.05527	0.5
70.05860	0.9
71.01424	0.4
72.99307	1.1
84.99317	1.3
86.53050	0.4
87.00884	12.5
87.33306	0.4
103.00377	9.1
104.30078	0.4
109.02938	0.4
112.98826	18.3
113.99155	0.5
130.99861	1.8
149.00935	1.2
160.13808	0.5
183.12352	0.9
183.13907	12.1
184.14307	1.0
193.34297	0.4
195.13905	11.0
196.14235	0.7
211.13448	0.4
213.14973	100.0
214.15323	7.2
248.09169	0.4
282.94199	0.4
312.09558	0.6
315.11996	0.6
330.10916	0.5
345.16010	2.4
345.22662	1.4
352.28857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98925	0.6
65.26025	0.7
69.42352	2.5
74.56258	0.5
76.19071	0.6
78.88103	0.6
104.02660	1.3
129.55962	0.7
133.02969	0.8
144.39622	0.7
145.02902	1.3
148.01691	1.0
157.61292	0.6
161.02449	1.7
171.08139	2.2
181.06566	0.7
185.06030	1.2
187.07660	3.0
189.01967	4.6
190.02734	4.5
197.06172	0.6
197.98257	0.7
199.07634	5.9
201.01872	2.3
201.05577	1.2
203.03529	2.2
215.07143	2.3
229.05234	0.7
230.05750	1.2
243.06630	83.1
244.06985	8.9
245.07356	1.1
257.08154	4.1
258.08798	0.8
258.16385	1.1
285.15305	0.7
287.09326	4.3
313.14444	2.9
315.12228	0.9
329.13965	1.4
330.14731	34.2
331.15033	4.5
345.17075	100.0
346.17438	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	345.1709
Annotation	Laxiflorin L
Peak:m/z	Relative Intensity
52.70214	1.0
61.21895	1.1
61.98844	1.6
62.79112	1.2
71.55110	1.1
98.22716	2.6
104.23646	1.2
107.04997	2.1
129.44678	1.0
155.08647	2.6
156.05655	1.2
156.66757	1.0
161.02467	1.5
162.03204	1.9
171.08165	3.0
178.03838	1.0
187.07681	2.5
189.01886	2.8
190.02722	3.3
199.07603	8.8
201.01888	1.7
201.05537	1.6
215.07108	2.7
217.08742	4.0
229.05243	1.4
243.06618	100.0
244.07007	9.6
264.38715	1.3
286.15671	1.8
290.97217	1.5
312.13690	40.9
313.14056	3.6
327.16034	89.5
328.16412	10.4
330.14285	3.4
345.13257	1.8
345.17065	22.8
346.17407	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	345.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73930	0.7
57.03448	2.4
59.01369	2.4
69.03453	1.1
71.05019	1.8
73.02953	1.5
74.46503	0.7
83.05016	0.8
85.06590	3.7
97.06612	1.0
102.85154	0.7
103.05575	0.9
115.07666	4.1
118.04270	3.7
119.05038	1.4
125.09744	2.0
127.11312	2.1
134.03792	1.3
137.09764	0.8
145.02972	1.4
147.04530	3.3
149.02422	1.2
161.02470	1.0
162.03217	4.4
165.12866	1.0
167.14413	1.6
171.10333	4.1
173.02466	0.9
175.04074	0.8
183.13951	6.1
187.04021	1.0
190.02733	16.4
191.03546	7.8
192.03925	0.8
193.12399	1.2
201.11339	1.2
203.03554	2.5
209.11848	2.3
211.13432	27.2
212.13826	1.5
212.75984	0.7
213.11180	0.7
222.01746	3.9
224.62891	0.8
229.14453	21.9
230.14738	1.9
243.06555	1.2
256.07626	1.1
301.14456	1.0
315.21774	2.6
327.21692	1.6
345.13519	42.0
345.22824	100.0
346.13867	5.2
346.17633	0.7
346.19046	1.2
346.23007	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21740	0.7
56.36135	0.8
59.01386	100.0
60.01741	1.4
83.05049	1.1
157.12418	2.0
167.86763	0.7
202.01680	0.7
202.98701	0.7
237.18532	1.0
257.21176	2.2
285.20734	3.2
303.21756	13.9
304.22104	1.5
330.07425	1.2
340.90756	0.9
345.22775	7.1
346.23022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	51.7
60.01719	5.4
61.01817	1.2
61.98835	100.0
62.23130	0.5
71.39317	0.7
75.99948	0.5
78.10667	0.5
95.09425	0.4
96.96029	2.3
98.91840	0.5
104.40125	0.5
106.28018	0.5
116.21426	0.5
141.92545	0.5
154.31580	0.5
157.03610	0.7
158.03773	1.6
159.03415	1.5
160.01640	0.6
201.02608	6.3
202.02725	21.7
202.98924	0.8
203.02303	21.4
203.98297	1.4
204.00015	41.0
204.02718	7.0
205.00195	3.1
205.02864	0.5
242.03481	0.6
254.86142	0.5
256.36157	1.7
256.85989	4.4
257.36087	1.0
285.35541	0.6
296.34021	1.8
296.83749	6.1
297.33871	1.8
297.83752	0.6
325.83551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0563
Annotation	Adenosine 2'-phosphate
Peak:m/z	Relative Intensity
54.33702	0.3
54.94370	0.3
59.01385	5.6
60.01714	0.4
61.98844	2.7
62.96420	1.1
69.34132	0.7
69.34535	1.2
71.01385	1.6
73.02943	0.7
74.02480	0.4
76.52735	0.3
78.07664	0.4
78.95912	54.4
85.02953	0.7
87.00887	0.4
89.02508	0.7
92.02557	0.6
93.03457	1.5
95.05046	0.4
96.96971	12.9
98.21838	0.6
101.02452	0.8
107.03638	2.1
111.04529	1.3
120.96976	6.0
121.02955	0.7
123.04565	0.8
125.03584	17.6
127.05119	0.5
128.03575	0.5
130.08763	0.9
134.04747	37.0
135.05125	0.7
147.06796	0.4
148.04051	2.0
159.01523	0.5
162.98085	0.4
166.05151	0.5
182.03604	0.4
197.03070	0.5
202.02722	1.0
202.98776	1.5
203.02393	1.2
203.98300	1.5
204.00049	0.8
211.00148	100.0
212.00476	2.3
215.09251	0.6
266.84207	0.3
267.09830	1.0
287.06427	0.5
317.08957	0.5
328.72229	0.3
346.05588	8.7
346.09717	0.5
346.16086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62006	1.4
59.01385	7.8
64.69025	1.4
69.95387	4.5
71.01402	2.9
73.02956	1.8
77.03974	2.7
82.84855	1.8
84.51020	1.4
85.02959	2.6
89.02450	2.8
91.19703	1.3
93.03498	3.2
95.05042	5.3
98.02496	1.8
98.21930	2.7
102.61172	1.6
105.03481	15.5
107.05036	9.2
109.06616	1.6
113.02464	1.7
121.02959	3.7
123.04549	2.2
133.02974	100.0
134.03770	44.8
135.04579	13.5
136.04060	4.0
137.02464	11.3
139.04037	4.0
150.05621	30.0
166.05125	2.9
168.06705	1.6
173.04607	2.0
177.01955	59.3
178.02734	53.8
179.03523	10.0
241.08820	2.1
243.05859	1.9
267.06635	2.9
288.99649	1.6
311.05624	6.2
328.08231	9.2
347.11981	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	346.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53353	1.6
59.01387	11.8
69.30709	8.8
71.01395	4.2
72.99300	3.0
77.03970	1.8
85.02978	3.4
87.00893	6.4
89.02464	5.4
93.03480	5.1
95.05065	3.3
101.02474	3.7
103.00395	2.3
103.21533	1.8
103.59552	1.7
105.03463	12.4
107.05061	9.6
113.02509	3.0
119.03487	1.9
133.02974	100.0
134.03781	46.2
135.04559	41.4
137.02492	10.4
139.04077	2.3
139.07707	2.8
140.08002	5.5
149.00932	17.2
150.05620	26.6
166.05058	2.5
177.01953	59.2
178.02745	51.0
179.03506	34.7
180.03889	2.5
214.44453	2.0
229.04396	9.6
229.54559	4.9
232.56367	1.8
243.05920	4.0
273.98544	1.7
274.92056	1.8
276.88058	1.9
285.04031	2.3
297.64621	1.9
311.05743	6.2
328.08267	8.4
347.16876	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	347.0985
Annotation	Stilbericoside
Peak:m/z	Relative Intensity
51.87419	1.1
55.01871	2.4
57.03441	3.5
59.01383	51.7
65.03963	4.7
67.01897	3.3
69.03461	2.0
71.01385	55.0
72.99306	2.0
73.02942	9.2
75.00880	7.3
77.91939	1.1
80.24458	1.1
81.03457	4.3
83.01411	7.4
83.05033	28.0
85.02951	24.2
86.00094	1.1
87.00882	9.7
89.02457	27.5
90.34432	1.3
92.02644	1.3
93.03468	100.0
94.03796	2.9
95.01384	4.6
95.05038	8.5
97.02959	4.1
97.06575	2.1
97.50098	1.2
99.00917	5.9
101.02453	27.6
107.05029	1.6
108.02177	4.5
109.02945	9.4
111.00872	8.7
111.04531	89.8
112.04853	3.3
113.02452	20.4
113.06088	2.9
119.03508	14.7
123.04538	45.2
125.02431	5.5
125.06044	1.6
129.01921	4.1
131.03503	2.5
137.02452	26.9
141.05594	10.8
143.03532	2.3
155.03520	7.5
159.03023	1.8
161.04588	7.3
167.03523	16.9
179.05624	2.6
185.04503	9.0
240.28937	1.5
303.10565	1.5
314.90640	1.4
317.08795	33.6
317.14636	1.5
318.09201	1.6
329.08716	4.0
347.09882	7.7
354.64490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
59.01385	21.4
63.23605	0.7
66.49883	0.8
67.25249	0.7
70.02299	1.3
70.02679	1.5
71.01385	3.6
72.99313	11.8
73.02935	1.2
75.00875	1.2
85.02962	2.2
85.06586	1.9
87.00885	22.3
89.02454	2.8
93.03455	1.2
98.21843	0.8
101.02457	2.1
103.00382	9.6
105.01918	1.4
111.96947	0.8
113.02464	2.3
127.11234	1.0
130.99876	1.1
133.02956	1.3
135.04535	2.0
149.00931	100.0
150.01233	1.4
150.05643	0.9
153.14394	0.8
161.04616	1.2
166.89902	0.8
171.13928	7.1
178.02464	0.8
182.35718	0.7
185.11732	0.8
189.93440	0.7
215.12950	2.0
229.04379	0.8
229.54512	1.3
304.04956	1.1
317.11258	0.8
329.11273	0.8
347.12875	1.5
347.17133	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	347.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84209	0.7
59.01390	3.2
71.01390	3.2
73.02959	3.2
83.05029	1.8
85.02953	1.4
87.00889	1.2
89.02439	1.2
93.50498	0.7
99.00920	3.8
101.02489	1.5
101.06094	1.3
113.02437	0.8
119.03482	1.1
135.04620	0.7
135.08176	1.1
137.09734	6.2
145.05061	1.6
147.03030	3.2
155.10796	100.0
156.11163	5.0
173.22519	0.6
185.11833	5.9
199.09778	73.4
200.10147	3.8
208.02647	0.6
231.00706	0.7
238.38850	0.6
242.11928	1.9
304.64822	0.6
305.19760	1.1
347.13406	12.4
347.17233	3.0
347.20529	0.9
348.13730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.4
57.03448	1.7
58.53861	0.5
59.01384	10.4
61.36498	0.5
69.17366	2.2
69.17781	1.1
71.01389	5.7
71.36440	0.5
72.89495	0.5
72.99297	1.5
73.02950	4.0
75.00880	6.0
75.09815	0.6
76.80444	0.6
85.02950	3.0
89.02453	4.0
99.00903	0.8
101.02440	3.8
109.06553	0.5
111.75971	0.5
113.02470	0.9
119.03506	1.1
121.18189	0.6
125.37948	0.8
127.32086	0.5
129.01984	3.1
135.08144	0.9
137.09726	6.7
147.03011	10.0
155.10799	100.0
156.11118	5.3
167.10794	1.7
185.11839	3.4
199.09781	66.7
200.10107	2.9
297.20435	0.7
329.12521	1.5
347.13464	22.4
347.17264	7.2
347.24384	1.7
348.13757	1.9
348.17554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
59.01387	6.8
61.99094	0.5
71.01391	5.0
73.02956	6.2
73.04874	0.5
74.99109	1.1
85.02966	2.3
87.00888	3.7
89.02467	1.8
94.06667	0.4
96.19958	0.4
99.00887	0.8
101.02462	2.0
113.02479	1.7
119.03532	0.9
132.04535	0.9
133.05270	0.7
135.08180	1.5
136.99158	1.4
137.09750	7.1
138.05592	0.6
140.07201	1.1
147.02983	1.7
148.04060	1.4
149.00868	0.6
155.10800	100.0
156.11136	5.3
158.02551	1.1
160.04053	1.6
161.04578	0.8
167.10851	1.6
169.82693	0.5
173.10039	0.6
185.11841	2.2
199.09781	73.8
200.10141	4.3
200.42107	0.5
285.12357	0.8
303.12885	0.7
305.19641	0.7
347.13232	7.4
347.17148	9.4
347.24225	0.8
348.13800	0.6
348.18457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Rhodioloside A
Peak:m/z	Relative Intensity
52.19649	1.3
55.01873	5.0
57.03447	4.6
59.01383	84.6
69.03461	1.4
69.27847	7.3
71.01387	100.0
72.01751	1.3
72.99309	1.9
73.01176	5.1
73.02947	29.7
75.00871	1.5
83.01400	9.8
85.02956	34.0
86.00110	2.2
87.00882	13.1
89.00642	1.2
89.02453	39.6
95.01391	8.5
97.02964	2.1
97.06577	4.6
99.00900	7.3
101.02447	52.9
102.02769	1.9
107.08679	1.2
108.02161	1.8
109.06600	2.6
113.02458	37.4
114.02792	1.8
115.07658	14.7
116.82561	1.3
119.03506	14.0
125.02457	3.1
126.03105	1.5
129.01962	2.6
131.03511	12.6
133.06595	1.8
137.09688	1.8
141.09151	1.5
143.03500	3.9
146.44130	1.2
149.04601	2.3
149.09732	31.1
150.10097	2.0
159.03030	6.1
161.04576	45.7
167.10791	7.4
179.05684	3.0
185.11823	4.3
199.07985	4.6
199.09761	1.3
215.12750	1.5
221.06694	17.8
254.91060	1.2
259.10068	5.5
270.41974	1.2
317.10153	1.6
329.06714	1.3
338.22977	1.4
347.11633	14.1
347.16916	3.6
347.21021	1.9
347.38455	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01884	5.9
56.35813	0.5
57.03453	3.7
58.00614	0.9
58.61082	0.6
59.01388	38.1
69.03465	0.9
71.01392	37.2
71.25814	0.6
72.01731	0.6
72.99313	1.7
73.02956	19.9
74.03293	0.7
74.78955	0.6
74.99088	0.7
75.00879	0.8
83.01391	10.7
85.02962	22.6
85.03480	1.4
86.00098	2.7
87.00880	2.6
87.78501	0.7
89.02453	4.1
93.03471	0.6
95.01429	3.0
95.37031	0.6
97.02951	1.3
98.86523	0.6
99.00892	6.0
101.02454	44.0
111.00909	1.4
113.02466	14.6
119.03503	0.6
129.01985	0.9
130.80530	0.6
133.58842	0.6
135.04553	1.2
141.12877	0.7
143.03537	1.0
150.44545	0.6
159.03049	3.1
161.04561	9.0
167.10817	1.0
185.11839	3.5
211.13481	1.3
240.42924	0.6
279.01990	0.6
294.74487	0.6
303.18164	5.6
329.16223	0.8
347.17145	100.0
348.17514	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	347.1715
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01863	0.9
57.03453	0.9
58.00600	1.3
59.01384	100.0
60.01715	1.6
65.09068	0.6
69.22359	3.6
69.22768	1.1
69.26907	0.7
71.01388	58.9
72.01736	0.8
72.99318	1.5
73.02968	1.6
83.01402	2.0
85.02960	8.5
87.00896	2.1
89.02453	62.9
90.02828	1.2
95.01398	4.4
101.02456	27.9
108.02243	0.9
113.02462	20.4
119.02659	1.5
119.03514	24.8
131.03487	1.9
140.15967	0.7
143.03494	3.9
149.04512	1.3
161.04608	2.5
167.03574	1.4
167.10789	9.3
179.05589	5.9
329.23398	1.0
347.17361	4.6
347.24341	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	347.1716
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01881	7.5
57.03462	4.2
59.01386	58.2
69.93935	2.2
71.01389	40.9
72.99326	1.7
73.02951	17.0
73.03358	0.9
75.00878	1.6
83.01400	12.0
85.02957	22.9
86.00111	2.5
87.00883	2.2
89.02458	9.9
95.01416	3.9
97.02991	1.5
99.00881	7.2
101.02454	49.9
102.02833	1.1
111.00872	1.8
113.01719	1.2
113.02465	17.3
117.40801	0.8
119.03507	2.5
125.02556	0.8
129.01984	1.5
137.09779	0.8
141.12811	1.0
143.03474	1.3
147.02902	0.8
155.10826	9.1
159.03012	3.0
160.04080	2.3
161.04567	8.4
167.10805	6.7
185.11823	6.9
199.09761	5.4
204.60271	0.8
259.79926	0.8
303.18094	4.3
347.17145	100.0
347.24179	2.8
348.17474	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	347.1714
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
57.03444	1.5
59.01384	71.8
69.03474	1.0
69.34514	3.8
71.01389	28.6
72.99305	6.1
73.02952	1.5
76.57249	0.6
78.37960	0.8
81.12180	0.8
83.01388	1.6
85.02961	7.1
87.00872	2.7
89.02449	27.4
95.01392	2.6
98.21964	1.6
99.08176	1.2
101.02454	20.2
112.98778	1.0
113.02467	9.4
119.03519	13.4
131.03526	1.7
133.02898	0.7
139.11276	5.7
143.03511	1.4
149.06087	0.9
161.04622	1.0
167.10788	100.0
168.11115	5.4
179.05598	1.5
185.11850	22.1
186.12216	1.6
189.27328	0.7
189.43013	0.8
206.05804	2.2
215.16560	4.7
233.45482	0.8
295.46463	0.8
347.17133	88.8
348.17520	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	347.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03456	1.4
58.00601	0.8
59.01384	100.0
60.01725	0.8
71.01386	46.5
71.44579	0.7
72.24726	0.7
72.99307	2.0
73.02953	2.2
83.01402	3.3
83.40981	0.8
85.02960	7.1
85.68034	0.6
87.00909	1.5
88.45982	0.7
89.02451	45.9
93.03466	1.0
95.01408	3.1
97.54465	0.7
101.02451	33.1
110.40033	0.8
113.02462	18.9
115.04010	0.8
119.03516	26.1
131.03514	1.6
135.04541	1.4
143.03484	1.9
149.04585	2.2
167.10791	36.1
168.11128	1.2
176.03999	3.3
179.03473	0.8
179.05652	2.8
185.11868	2.0
191.05667	2.3
258.29099	0.8
312.21399	0.8
315.96854	0.8
347.17136	49.9
347.24374	3.7
348.17496	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	347.1714
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.50596	0.3
55.01883	1.7
57.03448	1.3
58.00594	0.3
59.01387	20.7
69.03477	0.4
70.63005	0.6
71.01391	11.2
72.99327	0.4
73.02948	4.7
82.29057	0.4
83.01390	3.1
85.02962	6.6
86.00114	1.1
87.00891	0.8
89.02466	2.7
95.01405	1.3
99.00901	1.2
101.02451	9.4
111.00900	0.8
113.02464	3.8
119.03515	1.3
141.12956	0.5
159.03044	0.5
159.14914	0.3
164.07283	0.4
166.99753	0.3
167.10825	1.1
173.80177	0.3
180.44675	0.4
185.11847	5.8
271.55740	0.3
324.81897	0.3
329.15994	0.7
342.18768	0.4
347.17136	100.0
348.17532	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	347.1716
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01880	6.3
55.40766	1.6
57.03463	10.5
59.01386	94.1
69.03457	2.6
69.52443	1.4
69.52735	7.9
71.01390	91.9
71.05027	11.1
72.99317	3.8
73.02952	63.8
75.00882	2.8
75.87822	1.5
83.01406	8.6
85.02959	36.9
85.06601	7.6
87.00887	18.5
87.04532	10.0
89.02454	31.4
95.01403	10.1
95.05027	3.6
97.02944	1.9
97.06599	66.5
98.02537	1.6
98.06904	1.8
99.00912	9.2
99.04523	1.9
101.02454	49.3
103.00386	6.1
112.98799	8.5
113.02459	36.2
113.06109	2.8
113.87058	1.7
115.00366	1.9
115.04020	2.1
115.07661	100.0
116.08025	3.6
116.92868	6.7
119.03512	13.6
121.03011	2.3
121.06654	1.6
123.08115	1.5
125.09750	3.0
128.06659	1.6
130.08797	1.9
130.99823	1.6
131.03505	1.7
143.03571	3.9
143.10687	1.7
149.00949	16.9
151.11333	2.5
153.12871	3.8
155.10783	5.7
157.08717	1.7
159.03020	5.7
161.04575	36.3
167.10808	19.4
169.12350	14.0
171.13931	14.1
175.02492	3.5
179.05588	1.9
183.06612	2.8
185.11868	29.5
191.03638	1.6
191.05769	2.2
199.09761	2.9
215.12903	93.6
216.13271	5.5
230.11877	2.9
252.09006	4.1
255.11673	2.5
267.11353	11.9
285.12427	6.1
311.10522	2.4
329.11365	6.9
347.12634	14.4
347.17151	8.2
348.03992	1.9
348.16452	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	347.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09819	5.6
59.01388	21.6
61.98858	7.0
71.25928	5.2
86.46628	4.0
95.05064	13.1
98.15630	4.1
126.86066	4.2
143.07162	5.6
150.79410	4.4
167.10779	15.1
168.75829	4.1
191.07912	3.8
193.28009	4.1
203.17972	4.3
218.09332	9.8
247.17061	14.5
250.08253	27.7
260.99942	3.9
265.18121	100.0
287.16333	15.9
292.05627	3.9
293.64343	4.4
347.18390	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86080	16.8
55.21474	16.7
61.35786	20.6
61.98836	21.8
69.32351	100.0
70.44499	17.8
85.00465	32.5
85.46490	17.0
91.52637	16.9
253.68330	18.7
274.63419	22.4
287.60687	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20180	24.6
71.24458	36.2
94.86224	28.1
97.22116	25.1
102.93238	28.0
126.45853	29.5
152.30507	29.4
182.33405	28.0
210.14868	28.4
212.64880	24.7
224.03651	31.1
348.08636	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	348.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
61.98837	100.0
62.98525	0.4
63.99269	0.8
65.03308	0.2
65.65597	0.2
68.18041	0.2
69.89391	0.7
106.38309	0.2
114.54725	0.3
146.95261	0.5
162.98500	1.2
176.98119	0.4
203.99979	1.3
205.00179	2.8
205.02180	0.3
205.99765	3.6
206.97464	53.2
207.97559	3.3
276.46536	0.2
294.85901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0023
Annotation	Apigenin 7-sulfate
Peak:m/z	Relative Intensity
51.62787	0.2
54.36622	0.2
59.01351	0.7
61.60584	0.2
63.02396	2.0
65.00317	0.8
69.25050	1.4
71.01377	0.3
73.02312	0.3
89.00298	0.4
93.03439	0.3
94.58212	0.3
104.45878	0.2
107.01405	2.0
117.02785	0.3
117.03483	3.6
130.97916	0.3
132.02097	0.3
135.04518	0.4
149.02470	1.2
151.00346	0.8
157.06490	0.3
159.04532	1.7
161.02419	1.0
163.03984	0.7
166.02806	0.3
169.06535	0.5
180.05838	0.3
181.06615	0.4
183.04469	0.7
190.02765	0.5
191.03365	0.8
195.04486	0.3
197.06085	0.7
199.03989	0.4
201.05518	0.7
225.05545	1.1
227.03441	0.6
267.15991	0.6
269.04553	100.0
270.04877	8.2
305.13983	0.6
334.10504	1.0
348.15323	1.3
349.00253	8.5
349.12326	1.8
349.16302	1.5
350.00537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01385	58.1
61.98837	11.5
66.65134	0.8
71.01388	29.0
73.02965	2.6
78.15338	0.8
83.01398	2.4
85.02947	7.9
87.00904	1.3
89.02452	24.5
95.01401	2.5
99.00893	1.1
99.04532	3.4
101.02444	18.5
107.08709	2.3
108.02187	0.8
113.02467	8.6
119.03517	9.0
124.53391	0.9
134.72754	1.1
137.02466	1.4
139.07701	6.7
151.07671	3.0
157.08771	4.1
159.04547	2.1
161.04559	1.1
169.04100	3.0
169.08717	18.0
172.05324	2.0
186.06850	11.5
187.07623	8.2
187.09749	3.5
217.10878	2.7
289.07040	1.3
291.07959	0.9
315.15848	1.0
319.14035	7.7
331.14066	9.3
349.15063	100.0
350.15408	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	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01379	6.1
70.23462	0.4
70.77550	0.9
71.01385	4.3
73.02959	3.0
74.02502	0.7
74.99071	0.5
76.98698	1.9
83.01396	0.7
85.02957	1.5
86.74613	0.5
87.00841	0.6
89.02456	1.5
93.85590	0.5
95.01365	0.6
96.96009	0.7
97.06584	1.5
99.08189	1.2
101.02438	2.2
104.03563	0.6
107.05110	0.5
113.02468	2.4
113.92592	0.9
114.93431	1.3
121.02887	0.5
123.08170	11.4
125.02450	1.4
125.09735	41.0
126.10059	1.3
137.02495	1.1
138.98724	1.2
139.07680	0.6
143.10786	2.0
145.08693	3.6
148.01643	0.8
151.00403	0.8
151.04071	0.6
152.01189	1.6
161.02519	0.7
169.08734	5.9
173.06036	0.6
176.01181	4.6
187.09779	100.0
188.10121	3.8
190.02753	2.0
191.03516	3.5
201.11365	2.3
218.02205	0.6
219.02917	0.5
229.10783	3.6
233.04602	1.4
289.13068	0.9
305.14063	1.0
307.13974	0.8
349.05838	0.6
349.09238	1.9
349.13129	3.2
349.19061	5.0
349.25967	0.8
350.15976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.4
57.03452	4.5
58.00595	0.8
58.89185	0.3
59.01384	58.6
59.05086	0.3
60.01714	0.8
61.98834	1.2
64.57642	0.3
69.03458	0.8
69.58143	1.1
71.01386	27.5
72.01735	0.6
72.99320	1.3
73.02962	2.1
73.03311	0.4
83.01384	1.6
84.99329	0.5
85.02959	5.4
87.00889	6.7
87.04522	0.4
89.02453	30.4
90.02769	0.5
92.57156	0.4
95.01400	2.0
98.22572	0.6
99.00872	0.6
101.02450	14.8
103.00388	3.0
104.48598	0.4
111.08172	0.6
112.98821	4.8
113.01715	0.7
113.02467	10.4
113.03268	0.6
114.02822	0.4
116.92870	0.7
119.03522	11.6
125.09689	0.5
127.11311	9.9
128.11697	0.5
130.99870	0.9
131.03506	1.4
133.06923	0.5
143.03503	2.3
149.00952	1.5
149.04608	0.8
159.03017	0.7
161.04564	3.8
169.08736	0.5
169.12370	1.3
171.07813	0.5
171.10283	1.8
176.01158	0.5
179.05617	3.6
187.13425	1.6
199.13425	1.5
201.11282	2.2
217.14462	100.0
218.14795	5.4
250.53719	0.4
262.48526	0.3
283.76376	0.4
287.10455	0.4
349.10260	0.3
349.14844	7.0
349.18677	7.1
350.15009	0.5
350.19101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.7
56.58839	0.9
57.03449	3.8
58.00607	1.7
59.01381	100.0
60.01714	1.3
61.98828	1.1
69.39849	4.0
71.01385	74.6
72.94994	0.9
72.99329	1.9
73.02948	14.0
81.07101	1.1
83.01396	6.4
85.02957	25.7
87.00887	3.2
87.04529	1.4
89.02449	52.1
90.02802	1.0
95.01402	4.6
97.02956	1.6
99.00897	5.0
101.02448	50.4
113.02460	33.0
113.03263	1.5
114.02787	1.1
119.03511	21.5
119.04971	0.9
121.03003	1.6
122.03817	1.3
125.02454	2.4
129.01913	0.9
131.03508	3.1
136.01622	1.0
143.03534	5.3
149.02419	1.1
149.04558	1.1
150.03169	1.2
151.04007	2.7
159.03015	4.2
161.04573	24.9
162.04961	1.4
179.05594	7.3
187.13417	6.9
201.11292	1.5
217.10780	1.3
232.45515	0.9
243.06673	1.0
305.14203	1.0
349.13229	4.0
349.18692	38.0
350.19070	2.8
361.38647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	1.1
57.03437	0.9
57.84196	0.4
58.00583	0.8
59.01384	44.9
59.37949	0.4
60.01716	0.5
71.01385	20.2
71.04481	0.4
71.04826	0.5
72.99326	1.0
73.02936	1.8
76.88498	0.4
79.19281	0.4
83.01392	1.6
84.02187	0.5
85.02959	5.9
87.00883	1.5
89.02450	17.4
95.01390	1.9
101.02448	13.4
103.82983	0.4
112.27367	0.4
113.02464	7.2
119.03516	6.8
131.03554	0.7
139.11290	1.3
141.12868	31.8
142.02669	0.4
142.13214	1.3
143.03531	0.9
155.14412	0.8
161.04503	0.4
169.12354	5.6
171.13895	1.2
179.05627	1.0
183.13933	2.5
187.13409	60.4
188.13773	3.7
229.14426	1.9
307.77762	0.5
308.70523	0.4
349.18701	100.0
350.19025	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	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12487	0.5
55.01882	1.6
56.59944	0.5
57.03449	1.5
58.00584	1.2
59.01384	100.0
59.64021	0.5
60.01716	1.4
69.03475	0.7
71.01387	59.9
71.41458	0.6
72.01736	1.0
72.64018	0.5
72.99318	1.5
73.02945	5.2
73.03246	0.5
73.04108	0.5
75.00880	0.6
76.47429	0.5
83.01391	3.3
85.02959	12.8
87.00893	1.9
89.02451	62.5
90.02793	0.8
90.98606	0.5
95.01408	4.0
96.96129	0.6
99.00899	2.0
101.02454	32.9
102.02808	0.8
113.02461	22.3
114.02814	0.5
115.04025	0.6
116.92869	1.0
119.03512	24.1
130.08762	1.2
131.03535	2.8
134.03790	1.1
140.67198	0.4
143.03546	4.0
143.11995	0.6
147.04509	0.7
149.04610	1.4
159.02982	0.7
161.04570	7.3
164.07242	1.3
172.10959	1.9
179.05643	5.5
187.13405	5.4
188.51060	0.5
201.09581	0.8
217.10732	0.7
267.08807	0.7
320.16223	1.8
349.05249	1.5
349.10138	0.5
349.15002	2.0
349.18817	8.2
350.17584	0.9
353.40198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14160	0.8
55.01888	1.6
57.03447	2.6
58.00584	1.1
59.01382	100.0
60.01707	1.5
61.98838	5.4
70.46864	1.4
70.47202	1.5
71.01385	57.5
71.59084	0.9
72.01717	0.9
72.99292	0.9
73.02954	6.8
83.01387	3.3
85.02955	13.2
87.00892	2.6
89.02451	62.9
95.01396	2.7
99.00877	1.3
101.02457	29.6
102.02798	1.2
113.02454	23.0
119.03504	21.3
131.03551	1.3
143.03529	3.7
149.04494	1.9
151.04012	2.7
161.04584	7.7
164.80197	0.9
169.08673	1.1
176.01225	1.5
179.05606	5.6
187.13464	2.1
239.71700	1.1
264.27438	1.1
349.13220	2.9
349.18674	11.3
350.18896	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	349.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18013	0.5
54.25421	0.5
55.01894	3.0
57.03450	2.4
58.00607	1.1
59.01385	100.0
59.72029	0.5
60.01730	1.3
61.84495	0.5
69.03465	0.8
71.01389	67.0
71.29068	0.5
71.43358	0.9
72.01722	0.6
72.99320	2.1
73.02958	8.0
75.00916	0.5
83.01399	5.2
85.02960	16.4
85.06601	1.2
87.00887	3.2
87.04529	1.5
89.02452	59.9
90.02782	0.8
93.43034	0.5
95.01402	4.0
97.02953	0.8
99.00877	2.6
99.92595	0.8
100.07484	0.5
100.93352	1.1
101.02454	46.5
101.06115	0.5
102.02818	0.8
109.59870	0.5
111.00849	0.6
113.02458	26.3
115.92086	1.3
116.05235	0.5
116.92858	4.1
119.02656	1.3
119.03514	25.9
124.07713	0.9
125.02473	0.9
125.09707	0.7
131.03511	2.5
134.03700	0.6
136.07719	1.6
138.09271	0.9
143.03491	4.8
149.04599	1.6
159.03036	2.2
161.04578	17.0
161.05855	1.1
179.05649	6.7
187.09850	1.4
187.13394	9.6
187.14989	0.9
198.60237	0.6
201.11377	1.6
217.14400	3.2
218.14937	0.5
237.09200	0.5
300.37646	0.5
305.11826	1.0
321.20032	0.5
349.14551	2.9
349.18683	16.4
350.19128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.2
60.82283	1.6
61.98833	100.0
66.85737	1.2
71.01392	9.6
71.39988	1.5
72.69403	1.3
77.51493	1.3
85.02953	3.0
85.06602	2.0
87.00880	2.0
89.02452	5.4
90.02801	2.0
93.03478	2.8
96.96024	1.8
101.02448	5.9
101.90166	1.4
108.02203	1.8
113.02445	3.0
119.03493	3.1
133.02939	3.0
133.60831	1.5
135.04523	1.5
151.03979	1.9
160.05412	1.5
169.08678	4.1
170.08984	4.6
173.02435	2.4
173.04564	2.6
177.01868	1.9
188.04819	6.2
191.05638	1.9
194.08316	1.8
236.55547	1.6
273.10660	1.5
350.15530	3.1
351.11301	2.5
351.16937	6.7
351.20316	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	350.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86893	2.7
60.32621	2.9
61.98831	100.0
69.90049	2.3
69.96770	2.8
69.97115	7.1
71.72591	2.3
89.34176	2.6
135.04523	5.4
138.03087	2.8
151.57138	3.2
159.04509	3.5
174.06725	2.9
188.08463	3.5
189.09193	7.5
222.92178	2.9
237.93501	2.6
237.96320	2.6
245.49570	2.7
246.27945	2.8
254.10567	3.0
270.04871	11.8
275.16690	2.8
289.18143	2.8
336.12079	4.2
350.13126	3.7
351.14395	18.1
365.33624	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	350.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89901	13.7
59.01390	100.0
71.01373	66.6
85.02942	24.2
89.02444	21.8
93.03472	16.4
95.51157	16.2
98.22791	32.5
101.02462	26.0
118.07317	15.2
131.03667	14.5
132.04538	14.2
133.02960	26.7
140.79384	15.7
189.05573	43.5
266.43460	18.4
290.25717	14.7
350.08185	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	53.2
69.05656	47.5
71.01401	23.4
89.02419	16.0
98.21910	17.1
99.78812	6.2
113.02460	15.7
119.03532	7.2
123.04568	11.9
133.02968	28.7
143.48196	6.6
153.05588	20.9
156.39693	7.3
161.04597	7.6
169.94499	6.4
173.04619	7.8
176.83237	6.4
177.01927	15.0
189.05692	10.6
192.96004	8.9
223.42026	7.2
266.42520	6.6
315.10727	9.3
316.89316	8.4
350.10089	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	351.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
59.01383	7.6
60.99297	1.5
67.01897	4.6
69.03437	1.6
70.65400	0.7
71.01385	6.1
73.02985	1.2
77.03967	2.8
81.03471	1.7
83.01392	1.0
83.05025	1.7
85.02949	5.1
85.06600	1.2
87.00891	10.5
87.22219	0.8
89.02439	2.7
89.03977	1.2
91.05476	0.9
93.03468	34.7
95.05018	5.0
99.00871	1.0
101.02451	2.4
105.02805	1.5
105.03474	19.5
107.05003	2.5
109.02962	8.0
111.04522	5.3
113.02472	1.5
114.46833	0.8
117.03454	0.9
121.02969	26.0
123.04514	3.3
128.68723	0.8
132.02231	1.1
133.02971	100.0
134.03226	4.7
135.04541	18.9
137.02443	1.2
148.04065	9.9
149.02441	1.7
150.03304	5.0
151.04019	1.1
155.03557	1.4
161.02460	2.0
166.04964	1.1
171.03053	1.0
173.04572	30.3
174.04860	0.9
176.04059	1.2
177.01947	41.9
178.02351	1.5
179.03520	5.1
191.05635	38.5
192.06009	1.4
195.03004	1.5
197.13068	0.9
212.05588	0.8
215.03662	1.4
215.05640	21.0
216.05887	1.7
219.37029	0.7
307.08218	3.1
317.04721	1.1
337.03598	3.9
339.05005	0.9
351.03189	1.3
351.07278	15.5
351.11890	1.3
351.16177	3.9
351.20230	1.6
352.07480	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	351.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.7
60.99310	2.2
67.01893	6.1
69.03470	1.5
69.63449	3.2
69.63811	2.0
71.01389	5.2
73.02957	1.6
76.33485	1.0
77.03963	3.0
81.03456	3.3
83.05032	2.5
84.70818	1.1
85.02962	7.1
87.00885	12.0
89.03967	1.7
91.05533	2.4
93.03468	53.2
94.03797	2.1
95.05028	5.8
98.22663	1.7
99.00939	1.1
104.49818	1.0
105.03476	17.0
107.05038	6.4
109.02953	24.2
111.04538	8.9
121.02931	1.4
123.04511	5.4
127.04024	2.1
129.01936	2.1
133.02971	100.0
134.03336	3.5
135.04535	28.6
136.04851	1.6
149.02455	2.5
150.03212	9.7
151.04021	2.1
155.03502	4.5
161.02437	2.6
173.04570	46.9
174.04840	1.7
177.01936	37.1
178.02380	2.9
179.03488	11.6
191.05627	71.3
192.05922	1.6
195.03003	2.0
215.05624	53.5
215.07713	2.6
216.05995	3.0
225.97061	1.0
307.08282	6.9
351.07214	28.3
352.07571	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	351.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42843	6.1
59.01380	100.0
59.86462	6.0
61.98822	18.4
63.39638	7.1
71.01387	63.7
71.40089	7.9
72.99320	7.9
73.02961	13.5
83.01392	6.6
85.02946	19.3
85.06593	39.6
87.00870	11.9
89.02454	28.7
93.03474	15.0
95.01408	8.2
96.96033	24.6
101.02445	34.1
101.06083	10.2
105.03387	8.6
108.02193	8.1
109.02980	11.8
113.02470	19.4
113.06081	8.5
115.04027	10.9
116.92921	7.1
119.03515	8.9
121.63331	6.2
133.02962	42.9
135.04501	9.7
146.06105	28.1
149.06006	7.1
161.04605	15.7
173.04526	10.9
177.01868	15.4
189.07715	9.1
189.11346	12.3
191.05577	7.7
212.05637	8.3
230.64726	6.8
232.13361	7.2
258.81064	6.9
351.11981	20.8
351.16525	56.5
351.20374	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04842	16.4
67.62743	15.9
69.14130	100.0
76.75595	16.2
81.03448	40.7
83.05009	27.3
89.69381	19.8
97.02972	28.0
98.22636	29.0
112.05259	16.8
123.04514	29.7
138.03363	21.4
153.09174	24.8
179.03775	18.0
186.17883	17.3
192.95798	24.6
257.15637	25.3
275.16537	39.5
289.18051	29.1
336.12390	24.1
351.14389	97.5
351.18219	72.8
351.21857	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68409	0.3
59.01382	5.3
60.12905	0.3
69.03447	2.0
69.37361	1.4
71.01390	3.0
71.74958	0.3
73.02957	1.0
75.00858	0.4
83.01389	2.3
85.02947	1.7
85.06597	100.0
86.06924	2.4
87.00891	0.7
89.02452	1.6
93.03470	1.1
95.01353	0.3
98.22662	0.7
101.02461	2.3
102.02792	0.5
113.02483	3.2
113.06100	18.2
114.02753	0.4
115.04023	16.2
119.03515	0.4
121.02973	0.5
129.05600	5.5
131.03522	1.0
133.02971	2.4
135.04510	0.7
148.04027	0.9
151.35115	0.4
154.34857	0.3
157.05067	3.6
171.06671	0.4
173.04619	1.3
177.02025	0.7
179.03568	0.5
189.07698	7.7
189.09300	0.6
190.08104	0.6
191.05685	2.7
215.05617	0.6
254.44182	0.4
320.01175	0.4
339.74164	0.4
351.07324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08580	2.4
59.01378	2.7
71.01384	9.7
71.43997	2.3
74.96187	6.3
96.96034	4.3
101.50962	2.5
104.67571	2.5
115.19698	2.6
120.88268	2.7
128.97278	3.9
133.04810	3.4
177.09248	3.9
183.05565	2.8
190.32410	3.5
192.11615	9.5
192.95912	6.9
198.34338	2.6
205.12325	6.3
218.09496	2.9
220.14708	55.3
221.15466	100.0
222.15880	7.3
229.42030	3.4
231.17407	2.6
236.08160	4.2
236.10564	81.4
237.10803	4.9
275.16199	3.8
278.10660	4.2
279.11340	3.5
293.17673	18.9
333.12338	6.1
351.13434	59.4
352.13654	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	351.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01396	1.3
66.76453	0.9
69.51933	3.6
71.01383	2.3
73.02981	0.9
83.05034	1.0
85.02968	1.1
98.22668	1.0
101.02453	1.2
107.05029	0.8
109.02970	1.2
113.02429	1.4
121.03033	1.4
133.10229	0.9
135.04565	2.0
136.01546	0.8
137.02460	0.9
138.03255	1.2
159.04509	4.4
161.04494	1.3
166.02731	1.4
170.27953	0.8
171.08105	1.4
172.05321	7.0
173.06090	26.4
174.06866	10.2
187.03973	1.9
187.07600	1.5
188.08446	100.0
189.09210	58.2
190.05083	1.1
190.09592	4.0
198.39926	0.9
201.09171	2.0
203.10678	1.6
213.09265	1.5
216.07967	1.2
231.10280	5.1
238.26273	0.8
243.10231	2.6
291.12708	0.8
307.15427	2.0
336.12350	2.0
351.10458	0.9
351.14456	12.8
351.18161	3.2
351.21936	2.0
352.14703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1712
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
57.83574	5.6
59.01392	13.4
61.98835	8.1
70.06765	8.5
70.07111	12.8
75.00883	13.7
93.85405	5.6
95.05058	12.4
119.59592	5.0
133.11607	5.5
180.24837	4.9
181.02399	4.8
186.95648	10.1
192.95879	26.4
195.13942	9.2
199.37354	5.5
220.69197	6.7
223.13586	6.3
225.01602	8.2
231.10376	6.1
246.12361	9.9
275.20270	6.5
277.18085	7.7
278.11118	6.4
293.21255	46.2
314.07843	13.2
351.17139	100.0
352.17331	9.0
355.31360	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	351.171
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01381	12.6
70.64758	5.6
75.00883	11.9
77.20293	2.9
95.05032	7.0
97.64816	3.5
125.70567	2.9
128.87827	4.0
171.10287	3.9
192.95909	8.4
195.13947	7.7
246.12332	8.6
275.20169	7.6
278.11331	7.9
293.21271	46.7
294.21609	5.2
314.07901	7.7
351.00391	5.6
351.17102	100.0
352.17572	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	351.1714
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
50.72966	0.8
58.72937	0.7
69.74560	2.1
69.74905	0.9
76.21853	0.7
92.95956	0.7
98.21925	0.9
99.36153	0.7
182.06024	0.8
184.07683	4.3
197.04803	2.2
198.01994	2.9
198.05641	1.6
199.02679	0.9
200.03616	1.1
201.17523	0.8
211.06410	1.5
212.03571	0.9
212.07179	9.5
213.02849	4.4
224.06943	0.7
225.04495	4.1
226.05093	2.0
226.08870	1.2
227.05879	1.2
238.90919	0.8
239.05875	1.7
240.06679	100.0
241.07027	9.1
242.08145	0.7
254.08255	2.0
255.09023	81.5
256.09393	8.3
267.07764	2.0
281.14166	2.7
293.14322	2.1
294.14999	2.5
296.16519	1.6
309.13724	16.6
310.14029	1.8
324.12173	1.0
324.16028	17.4
324.19604	1.5
325.16306	2.6
336.14777	16.7
337.15265	2.5
351.17160	34.1
351.21573	1.7
352.17453	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	351.2169
Annotation	Sterebin C
Peak:m/z	Relative Intensity
50.66867	1.3
59.01387	47.5
70.63265	1.3
98.22716	2.3
112.31245	1.4
134.08681	1.4
183.03246	2.6
184.04184	2.5
187.52313	1.4
210.05815	1.5
243.81961	1.7
247.20770	11.6
258.35730	1.3
280.13467	4.0
291.19672	67.2
292.20016	5.2
307.22733	4.3
324.12433	4.5
351.21796	100.0
352.22147	13.7
362.82379	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	352.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50385	1.7
55.01857	2.1
59.01381	20.4
61.98836	100.0
71.01383	13.5
71.40120	2.3
73.02951	4.1
83.01396	2.8
85.02957	4.0
85.06609	3.8
88.18864	2.2
89.02477	8.6
90.02843	2.4
101.02445	16.2
109.02934	2.3
111.00880	2.2
113.02457	5.5
113.95703	2.2
115.03978	2.4
119.03520	4.4
125.02467	4.7
137.02423	2.2
151.00410	4.3
153.01947	3.9
178.99828	2.0
181.01550	3.0
191.03496	18.7
191.05394	5.1
249.11365	2.2
263.05591	3.9
317.03055	7.1
351.20187	9.5
352.20636	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	352.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15696	1.9
56.55313	1.6
59.01386	4.8
61.98835	100.0
62.84252	1.7
69.58785	3.9
71.01392	2.3
84.58024	1.6
85.02951	3.2
87.51019	1.7
89.02415	1.8
93.03458	6.3
98.21888	2.2
105.26615	1.6
108.48001	1.8
135.04559	21.9
141.63148	1.8
146.06137	6.8
151.73988	2.0
160.07677	2.3
173.04556	23.9
176.01076	4.0
179.03520	20.8
191.03564	8.2
191.05623	39.2
251.71164	2.1
265.52502	1.9
352.10513	3.0
353.08609	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	352.1038
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
55.01879	1.2
59.01384	19.2
61.98831	15.9
63.94086	0.9
65.45837	1.3
69.73290	1.1
71.01383	18.3
73.02964	5.6
74.17580	1.0
82.75655	0.9
83.01389	2.0
85.02963	7.1
89.02441	4.8
93.03448	1.4
95.01408	1.2
99.00890	1.4
101.02449	12.8
102.02849	1.1
112.09714	1.0
113.02457	5.7
116.05071	3.5
118.06651	1.0
119.03502	2.4
128.05058	3.3
130.06625	12.4
131.03764	4.4
133.73605	1.0
135.04561	1.4
142.06622	12.7
144.04567	19.2
144.08192	19.4
145.05377	10.7
146.06131	100.0
147.06517	6.1
156.08206	2.7
158.06104	8.0
159.02921	1.1
160.07677	27.5
161.04602	8.0
161.07993	1.4
164.07153	1.3
166.06541	1.0
168.04597	1.4
170.06134	12.8
172.03989	1.1
173.04553	1.7
174.05708	1.1
174.09236	6.3
184.07591	1.7
186.05629	9.3
186.09277	1.3
188.07185	38.5
189.07503	2.8
190.05092	4.2
191.05634	35.2
200.07263	2.4
206.08257	5.2
218.08232	10.9
218.13687	0.9
228.10312	1.1
230.08247	2.1
232.06148	6.5
242.08224	1.6
254.08109	2.0
308.11414	7.8
352.10397	49.3
353.10645	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	352.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.5
57.03427	1.4
57.78601	1.0
59.01384	19.2
61.98827	4.4
71.01387	16.1
73.02939	4.9
83.01382	2.6
84.60068	1.3
85.02946	5.3
89.02446	5.9
93.03470	1.5
97.02965	1.3
98.22679	2.9
101.02450	17.4
106.92206	1.0
113.02458	6.3
116.05078	2.7
119.03510	1.8
128.05080	4.0
130.06613	11.5
131.03789	5.2
132.08228	1.5
142.06636	14.8
144.04562	18.4
144.05617	2.1
144.08203	20.5
145.05342	9.9
145.08530	1.4
146.06128	100.0
147.06424	5.5
156.08165	2.1
158.06097	7.6
159.03053	2.1
160.07689	31.4
161.04561	6.0
161.08008	2.5
168.04478	1.4
170.06134	12.1
172.04022	1.5
172.07718	2.4
173.04642	1.4
174.09285	4.8
184.07703	1.9
186.05602	10.5
188.07176	37.2
189.07504	2.5
190.05151	5.0
191.05617	35.0
198.09291	1.8
200.07216	2.8
206.08214	6.5
207.08478	1.5
218.08243	10.8
232.06131	5.7
267.06564	1.3
308.11435	7.8
352.10394	53.0
353.10626	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	352.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02762	0.4
59.01389	3.4
60.03563	0.4
60.13993	0.4
61.33769	0.4
63.97237	0.3
69.16531	1.0
69.16944	1.3
71.01388	2.8
73.02946	0.7
83.01356	0.5
85.02953	1.0
87.00887	1.3
89.02438	1.6
95.74680	0.4
96.96018	1.3
97.88573	0.3
98.21927	0.8
98.86710	0.3
99.00907	0.5
101.02457	2.5
103.00396	0.9
112.98839	0.3
113.02457	0.9
121.02964	1.1
123.04526	0.5
124.10280	0.4
130.03023	1.1
130.99854	0.5
131.03783	18.5
132.04027	0.5
132.04578	0.4
135.04541	0.9
137.02478	0.6
146.02571	0.4
146.06157	0.6
148.01714	0.6
148.04060	14.4
149.02502	0.5
158.02522	1.9
160.04089	0.5
161.04648	0.6
173.19864	0.4
174.01978	4.0
175.02757	4.1
176.01160	0.5
177.01901	1.6
177.05626	0.7
177.09160	0.8
189.04320	13.9
190.05110	100.0
191.03647	0.8
191.05473	7.7
217.66750	0.3
219.09938	0.6
220.11078	0.5
221.04564	1.8
232.06148	0.4
233.04623	0.4
237.04346	1.0
238.05099	0.9
247.13463	0.4
262.07251	0.5
263.05609	0.4
264.13205	0.7
266.04578	1.7
308.05722	1.5
309.13458	0.5
310.03793	0.4
317.03024	0.5
331.19467	0.4
352.04630	9.1
352.10400	5.3
352.14719	1.1
353.04892	0.9
353.12442	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	352.104
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.35522	0.3
71.22935	0.4
83.35347	0.3
130.03004	2.3
131.03784	15.8
132.04053	0.3
143.58673	0.3
148.04059	12.3
148.05241	0.6
149.04430	0.3
155.77158	0.3
158.02524	1.8
160.04028	0.3
174.01985	3.9
175.02759	4.6
189.04340	17.6
190.05118	100.0
191.05482	4.1
192.92348	0.3
204.06601	0.5
229.24562	0.3
232.06203	0.4
290.42969	0.3
304.07245	0.3
352.10382	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	352.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69065	0.6
59.01377	2.5
60.33507	0.5
61.98839	0.6
69.55337	1.0
69.55693	2.0
71.01376	1.2
85.02955	8.3
87.00891	2.0
93.03466	5.7
101.02425	0.7
109.02953	1.3
111.04515	1.5
121.02969	55.5
122.03322	1.6
127.04021	1.8
133.02954	2.8
134.03316	1.8
135.04559	3.2
148.04063	63.1
149.04459	2.8
152.80891	0.6
161.02483	2.8
173.04570	3.0
177.01962	1.3
178.02330	0.9
179.03517	1.7
191.05634	100.0
207.42679	0.6
214.79918	0.6
243.06004	0.8
276.26431	0.6
339.04987	0.9
352.17032	1.7
353.08878	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	352.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96458	1.9
51.35475	1.9
58.65693	1.9
59.01386	29.9
61.98835	9.1
62.95083	1.7
69.01164	1.9
69.03465	3.5
71.01387	22.8
71.38689	2.3
73.02947	6.1
83.01385	4.1
85.02952	13.9
87.00898	4.1
89.02459	8.8
93.03465	2.2
98.50063	2.1
99.00887	2.8
101.02441	16.6
113.02457	6.2
116.05103	3.0
119.03518	3.7
128.05124	2.6
130.06635	14.2
131.03769	4.2
135.04488	2.9
140.01134	4.6
142.06651	14.4
144.04559	27.9
144.08185	21.0
145.05348	9.6
146.02505	3.4
146.06136	100.0
147.06508	2.5
155.03552	5.3
156.08090	2.5
156.16081	2.4
158.06131	6.6
160.07681	31.6
161.04594	7.0
170.06116	11.9
173.04559	3.5
174.09229	6.9
186.05592	10.2
188.07173	40.9
189.07593	2.2
190.05054	5.5
191.05617	95.0
192.05971	1.9
206.08281	7.3
218.08258	7.6
232.06140	8.1
308.11380	6.4
310.91623	3.7
352.10361	45.6
352.92224	2.9
353.10385	2.2
353.14481	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	352.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66846	0.9
60.99293	3.2
68.50600	0.8
69.03462	2.7
71.14811	1.0
72.00896	2.3
72.04561	0.9
74.02478	100.0
75.02819	1.0
84.04546	1.1
101.16357	0.7
104.03545	21.1
149.09734	0.9
184.09872	1.0
190.05118	1.0
191.05659	2.7
192.13953	1.1
224.12906	1.7
225.13585	1.2
252.12456	2.4
253.13167	2.5
254.13832	1.2
272.20172	1.2
283.14194	1.7
322.20245	47.2
323.20572	4.6
352.21301	67.0
353.21619	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	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79876	0.3
59.01381	1.1
68.25619	0.3
69.51366	0.3
69.93871	0.8
71.01386	0.9
81.03449	0.4
83.05041	0.5
85.02959	8.7
86.95783	0.3
87.00880	1.4
93.03477	3.6
98.22598	0.5
104.79070	0.3
109.02971	0.9
111.04525	1.2
127.04063	1.9
133.02936	1.0
135.04535	2.1
157.38982	0.3
161.02478	2.0
171.03059	0.5
173.04594	2.0
179.03520	1.6
191.05641	100.0
192.05991	3.6
259.00037	0.4
294.06876	0.4
308.37665	0.3
329.55902	0.3
353.08783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18793	0.2
57.03437	0.3
59.01374	1.6
60.92569	0.2
61.37087	0.2
67.01888	0.3
69.59198	0.3
69.59581	0.4
71.01369	0.7
73.02956	0.3
78.99671	0.2
81.03439	0.3
83.05036	0.3
85.02957	7.7
87.00880	1.3
93.03472	2.5
98.22585	0.3
99.04536	0.4
109.02950	0.8
111.04514	1.0
127.04013	2.1
133.02962	0.8
135.04527	0.8
137.02472	0.3
150.03125	0.3
155.03459	0.3
161.02460	2.5
165.73865	0.2
171.03003	0.5
173.04503	0.8
177.01917	0.2
179.03506	0.8
191.05620	100.0
192.05957	3.9
196.04031	0.2
235.44450	0.3
353.08777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.03442	0.8
59.01387	5.0
69.13573	0.6
69.13981	2.3
71.01383	3.8
81.03458	0.5
83.05026	0.7
85.02956	8.4
85.58170	0.5
87.00893	2.3
89.02450	1.9
93.03478	4.6
99.04574	0.6
101.02448	1.3
109.02922	0.5
111.04492	1.0
113.02467	1.3
119.03507	0.9
119.98020	0.4
127.04025	1.7
133.02966	0.9
134.03725	1.0
135.04538	9.1
137.02544	0.5
143.03455	0.5
155.03519	0.6
161.02451	1.6
171.02989	0.5
173.04568	6.1
179.03532	8.2
179.05295	0.8
179.05629	0.8
191.05629	100.0
192.06017	3.8
263.23730	0.4
297.07004	0.5
303.09406	0.5
347.51999	0.5
353.08701	2.9
359.58621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01383	3.0
61.61278	0.6
67.01897	4.8
69.03456	1.4
69.10748	0.5
69.54854	1.0
69.55240	1.6
71.01390	3.7
74.60651	0.5
78.66676	0.6
81.03450	1.0
83.05029	1.1
85.02955	9.2
87.00877	2.3
93.03465	28.6
94.03811	0.8
98.66536	0.5
99.04546	1.3
107.05025	1.7
109.02936	1.5
111.00917	1.1
111.04527	6.6
112.40095	0.6
113.02446	0.6
127.04012	1.8
131.59547	0.6
133.02924	1.3
134.03773	4.1
135.04541	73.5
136.04877	2.3
137.02461	5.3
155.03502	6.7
161.02478	5.8
173.04567	100.0
174.04904	3.1
179.03514	67.4
180.03868	3.7
191.05629	54.7
191.08168	0.9
192.05978	2.5
353.08755	11.9
354.09189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24181	0.9
59.01385	8.8
63.86274	0.9
69.07986	6.7
71.01398	2.0
83.01390	6.8
83.32442	1.1
87.00894	12.1
93.03463	1.3
96.16370	0.9
103.00393	2.7
112.98825	7.4
133.10255	24.8
134.10646	1.1
135.04546	3.5
149.00951	1.6
164.07150	1.9
165.07556	1.1
173.04517	3.1
175.07465	1.1
177.09229	100.0
178.09637	4.9
179.03435	3.1
190.05045	2.1
191.05568	12.2
191.07115	1.3
192.05942	1.0
193.08488	4.3
204.49463	1.1
205.08278	1.3
221.07986	34.4
222.08337	2.5
249.60419	1.1
256.92212	1.0
353.08655	3.9
353.13345	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0883
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
53.02542	0.7
57.69303	0.7
59.01381	5.2
67.01894	1.9
68.10735	0.6
69.30781	3.8
71.01381	1.7
72.99334	0.7
78.45965	0.7
83.05053	0.9
85.02966	9.7
87.00877	2.4
89.02477	0.8
90.08979	0.6
93.03472	7.7
94.63984	0.7
96.96014	2.9
98.21885	1.5
101.02441	0.7
109.02976	0.8
111.04531	2.6
113.02519	0.7
127.04026	3.0
129.17320	0.7
130.82057	0.6
133.02977	1.3
134.03760	2.4
135.04532	18.4
137.02502	1.5
155.03485	0.7
160.04097	1.4
161.02440	3.0
167.15875	0.9
173.04568	22.2
174.04890	0.8
179.02045	1.4
179.03529	17.8
180.03865	1.0
191.05643	100.0
192.05931	2.7
209.06136	1.3
237.05582	3.7
248.33990	0.7
264.04425	0.9
265.05112	3.1
272.40802	0.7
311.11923	0.9
345.79117	0.8
353.02930	1.0
353.08978	3.4
353.16223	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	353.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.2
69.35944	2.9
71.01385	4.3
72.99326	0.6
73.02966	0.6
85.02962	9.5
87.00880	1.7
89.02457	4.4
93.03458	4.9
101.02455	1.4
109.03008	0.7
111.04516	1.7
113.02461	1.8
119.03522	1.9
127.04034	1.7
133.03064	0.9
134.03732	2.4
135.04541	19.1
136.04865	0.8
143.03586	0.8
155.03555	0.9
158.01283	0.6
161.02470	2.4
173.04549	6.4
179.03526	14.4
179.05629	1.3
180.03882	0.8
182.92134	0.6
191.05627	100.0
191.84814	0.6
192.05992	4.6
334.96182	0.7
353.08774	3.4
359.32468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.88960	0.2
65.00321	0.3
69.26909	1.0
70.53033	0.2
71.01387	0.3
73.08588	0.2
79.95754	1.7
85.02946	0.3
87.04507	0.3
96.96020	100.0
97.95959	0.4
105.79890	0.2
109.06623	0.2
119.21475	0.2
123.04549	0.3
125.02461	0.5
127.07666	1.3
135.04462	0.3
137.02492	0.3
145.08885	0.3
147.04572	0.4
148.14488	0.2
149.02443	0.3
151.00398	0.7
153.01950	0.5
158.54182	0.2
161.02490	0.5
172.25795	0.2
178.99805	0.3
181.01501	0.2
186.71353	0.2
190.02701	1.9
191.03532	6.3
191.05569	1.0
192.03894	0.3
273.04257	0.3
273.17056	2.7
299.01898	0.2
317.03067	0.8
353.12766	41.2
354.09094	0.3
354.13101	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	353.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24180	31.9
56.13910	37.7
57.03446	32.5
58.98847	38.7
60.34696	43.6
69.15573	37.3
69.80954	88.1
69.81280	39.3
70.14482	34.7
71.05019	75.5
74.36286	37.9
76.45177	46.4
83.05014	56.6
104.86999	38.4
107.20608	42.2
109.86716	39.6
115.03990	37.3
118.22496	36.7
150.03023	37.6
155.10825	62.8
191.05618	56.9
206.19424	40.5
261.25940	44.5
273.07709	78.3
309.24429	51.5
353.23349	100.0
377.35245	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1866
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
51.97700	3.0
57.58493	3.0
71.43059	3.3
75.00883	5.9
90.92262	2.7
96.95982	3.6
108.34536	3.8
118.31524	2.7
129.30025	2.7
171.10294	18.9
191.05539	5.6
211.85576	3.2
277.21725	20.4
295.22821	28.5
353.18634	100.0
354.19083	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2124
Annotation	Guayulin B
Peak:m/z	Relative Intensity
69.37193	1.1
74.06694	0.2
79.95742	0.3
96.96027	2.8
97.93063	0.2
99.53315	0.2
107.05059	0.3
161.06038	0.3
162.06831	0.4
163.11302	100.0
164.11630	6.2
177.09222	76.1
178.09561	4.6
190.09999	0.7
191.05635	0.5
193.97101	0.2
201.67426	0.3
222.08936	0.4
353.21231	93.1
354.21585	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	353.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81894	1.8
59.01385	80.7
61.98800	2.0
62.44649	1.8
71.14431	2.1
71.19067	1.9
74.52308	1.6
79.95716	7.8
94.69723	1.6
96.96017	60.9
99.92589	8.5
123.00643	4.3
137.78311	2.1
141.01680	3.2
191.05594	3.5
249.71954	1.7
271.22809	100.0
272.23196	11.4
310.14896	1.9
353.19843	63.5
353.22861	5.4
354.14777	4.8
354.20151	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	353.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47793	0.7
59.01390	10.5
61.74460	0.8
61.98841	1.7
67.31863	0.8
69.44089	3.5
78.75304	0.9
87.55620	0.9
97.06628	0.9
98.22640	1.8
99.08136	4.1
119.94695	0.9
129.64890	0.9
155.14442	4.2
167.12329	0.8
184.71033	0.7
191.05707	1.6
225.22290	6.5
253.21709	1.1
269.21188	1.2
271.22818	100.0
272.23138	9.1
295.22681	1.2
303.76578	0.8
353.18579	3.0
353.23050	15.7
354.23691	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	354.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.9
71.01399	4.4
78.99625	0.7
85.02970	1.6
87.00884	1.4
89.02463	2.8
90.62064	0.6
93.03461	1.0
93.31039	0.7
94.03790	0.9
97.82206	0.5
101.02457	2.1
108.02160	0.7
111.00912	0.7
113.02435	1.3
119.03506	0.7
121.02949	0.8
132.02299	6.8
132.04573	100.0
133.03024	1.7
133.04897	4.3
134.03757	19.9
135.04561	1.3
137.02475	1.0
147.04529	1.2
149.06071	6.6
151.04071	2.5
160.01675	27.5
175.04022	39.2
176.04797	2.3
177.01967	0.7
178.02751	1.5
181.07225	0.8
190.05157	1.4
191.05647	7.0
191.07199	5.0
192.05962	4.2
193.05069	16.5
202.02719	0.8
217.05128	2.0
235.06137	6.9
258.06259	0.8
262.34482	0.7
265.07245	3.0
267.08768	2.9
295.08261	7.2
306.94894	0.6
318.27289	0.7
322.66019	0.7
355.10269	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	354.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01899	0.6
58.02972	2.4
59.01384	1.8
61.98825	1.0
69.14925	4.3
74.02478	1.6
82.02988	0.8
84.04150	0.7
84.04539	3.9
85.02954	0.7
86.92236	0.6
100.04044	1.6
100.07691	3.6
102.05618	84.1
103.05946	1.3
109.84808	0.6
118.31116	0.7
128.03554	100.0
129.03897	2.8
142.99088	0.7
146.04620	11.6
195.93327	0.8
207.17526	1.0
224.20219	1.8
225.18611	59.9
226.18950	4.5
264.23389	2.3
266.24976	2.6
292.22906	2.6
310.23886	17.9
311.24301	1.9
336.21811	14.2
337.22296	2.1
354.22876	84.1
355.23169	10.2
371.53931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
69.15712	1.3
69.16121	2.0
83.06726	0.6
96.96017	1.8
116.67769	0.5
134.03716	1.0
140.26460	0.5
149.00992	0.6
161.02394	0.5
173.02507	0.7
177.01883	1.0
179.10757	2.6
188.04788	5.8
189.01936	0.8
190.02690	3.1
193.05003	0.7
193.22566	0.4
201.01949	97.9
202.02307	5.6
203.03470	1.6
223.09767	1.2
225.05692	1.3
229.05038	0.8
243.06622	19.5
243.09154	1.0
244.06961	1.3
245.04584	2.0
260.06885	25.3
261.07379	2.4
267.06506	0.6
275.09268	100.0
276.09628	8.6
329.87183	0.5
341.10449	0.8
355.04852	9.9
355.08118	0.6
355.17776	0.6
356.05197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38635	0.8
56.51214	0.8
61.98838	1.2
64.83974	0.9
71.41344	1.0
93.22546	0.8
104.02705	2.4
105.03471	1.1
121.02990	1.1
124.93844	0.8
133.02969	1.6
146.92046	0.8
147.04526	0.9
148.01694	17.7
149.02405	3.3
176.01160	60.5
177.01944	100.0
178.02310	4.6
179.07143	1.5
248.72955	0.8
266.05838	1.3
267.06418	1.0
325.07217	3.0
337.07248	1.9
355.08298	9.3
355.11984	1.7
355.53339	0.9
356.08154	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	355.0826
Annotation	Ophiopogonanone C
Peak:m/z	Relative Intensity
57.69125	0.2
66.33549	0.3
69.96951	0.8
76.09396	0.3
76.76334	0.3
81.03471	1.0
89.03986	3.1
93.03465	0.5
97.82397	0.3
98.22550	0.3
104.02692	19.3
105.03495	5.5
109.03037	0.3
115.56235	0.3
120.02190	2.8
121.02965	0.5
133.02968	13.9
134.03305	0.5
146.03783	0.9
148.01685	15.5
149.02484	2.0
150.85426	0.2
158.70099	0.3
163.04054	0.3
164.04791	0.4
176.01164	80.7
177.01939	100.0
178.02303	5.2
179.07147	1.8
190.02757	0.4
191.03566	0.5
217.01451	0.8
218.02229	0.5
295.63446	0.3
325.07162	1.6
337.07095	1.9
355.08249	8.2
355.12442	0.6
356.08618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31283	0.8
59.01385	7.9
67.96474	0.9
70.65086	2.0
71.01392	2.6
72.99312	1.1
73.02959	4.6
75.00881	2.3
83.01412	1.3
85.02958	6.9
87.00894	3.4
93.44273	0.9
101.02463	2.1
113.99583	3.1
114.05662	1.8
115.00413	8.3
121.02983	1.0
123.04564	1.2
127.05148	1.1
133.02965	3.6
134.03769	4.4
135.04555	9.0
148.05310	1.1
149.02390	1.8
149.06076	1.9
150.03261	2.0
151.04048	13.6
161.02464	12.3
163.04041	1.1
164.04848	1.1
174.01723	69.8
175.02415	5.5
175.03886	1.8
176.04704	1.2
179.03560	7.6
179.07141	5.1
191.49300	0.9
191.88249	1.2
192.07765	0.9
193.01518	1.3
193.05060	18.7
193.08661	1.7
203.03535	2.4
209.08177	1.8
217.05048	1.5
221.08157	1.6
235.06183	2.1
237.07747	3.6
265.07162	8.9
281.06750	1.9
295.08228	11.4
304.27475	1.0
317.83530	1.2
355.10388	100.0
356.10724	7.7
356.18420	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
54.37182	0.5
55.58600	0.5
59.01385	12.0
63.60409	0.4
69.38006	0.4
69.93902	0.7
69.94254	1.0
71.01379	4.5
71.75599	0.4
85.02950	1.4
89.02446	4.0
94.67684	0.5
95.01402	0.5
101.02443	1.9
113.02453	1.7
113.52583	0.5
115.18388	0.5
118.01052	0.5
119.03493	0.6
121.33022	0.4
132.02187	14.6
132.03181	0.8
133.02899	0.7
134.03752	9.0
147.04547	0.8
149.06108	2.4
160.01680	64.9
161.02031	3.6
168.49808	0.4
171.28311	0.4
175.04027	100.0
175.14734	0.4
176.04404	5.1
178.02745	0.5
191.07106	2.3
193.05081	15.5
194.05418	0.6
202.02808	0.6
217.05054	4.9
235.06117	3.3
262.54544	0.5
265.07181	0.7
295.08224	1.8
314.92316	0.5
355.10397	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.2
59.01386	10.1
59.83718	0.4
63.44008	0.4
67.01862	0.6
70.74954	0.6
71.01387	4.6
75.00841	0.6
83.01389	0.9
85.02941	1.1
87.00851	0.7
89.02462	2.9
93.03473	1.1
95.01397	1.0
97.02924	0.8
98.95609	1.2
99.52859	0.5
101.02444	2.2
108.02183	0.5
109.02972	2.7
113.02455	1.8
119.03529	1.1
121.02957	1.1
125.02459	25.8
132.02199	13.2
132.04558	0.5
133.02980	0.5
134.03754	24.5
135.04124	0.7
137.02440	1.9
138.03256	0.4
139.03966	0.6
147.04480	1.0
149.02487	1.3
149.06099	10.1
149.29204	0.5
150.06477	0.4
151.04016	1.4
159.04555	0.7
160.01672	67.1
161.02466	7.7
162.03069	0.6
163.00415	0.7
164.01198	2.4
164.04866	0.8
165.02014	2.5
174.03201	0.9
175.04022	100.0
176.04390	6.0
177.01888	0.8
178.02751	1.3
179.05721	1.0
184.41473	0.5
186.77332	0.5
191.07196	1.8
193.01427	1.6
193.05075	22.8
194.05496	1.0
197.04558	2.1
202.02704	0.9
204.33475	0.5
207.06595	1.0
209.71524	0.4
217.05072	6.2
223.06154	0.8
235.06117	3.0
236.06410	0.6
257.04706	0.7
265.07404	0.5
265.10880	0.8
267.08740	7.6
268.09158	0.6
269.04672	0.7
278.04691	0.6
280.06329	0.7
285.04123	0.6
287.05670	3.3
295.08228	2.0
312.08929	0.6
319.08267	0.8
355.10373	5.1
355.14017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17807	0.6
59.01365	2.1
60.97295	0.6
70.65108	1.0
71.01363	0.7
81.77663	0.6
85.02934	2.1
93.03445	0.9
116.60878	0.7
121.02925	1.7
130.49796	0.6
132.02150	1.0
133.02893	1.9
134.03755	80.0
135.04047	4.1
135.15659	0.6
137.02473	4.2
137.36906	0.6
139.03978	1.5
149.06099	17.6
150.03215	0.7
150.06322	1.2
160.01677	6.5
175.04022	8.6
178.02731	35.4
179.02960	2.1
182.02103	0.6
191.03949	0.8
191.05623	12.4
192.05957	8.7
193.04994	100.0
194.05370	7.3
197.04482	1.3
217.05090	0.7
224.32941	0.8
307.10141	0.7
355.03278	0.7
355.09872	1.1
370.33444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06055	1.0
59.01380	3.9
61.98840	2.1
69.10853	7.6
70.35190	1.0
75.69085	1.1
76.58459	1.0
87.00882	8.3
89.52417	1.1
90.76988	1.2
130.08752	2.3
135.11815	17.9
154.99879	1.5
157.33197	1.1
161.09744	2.0
178.57323	1.1
179.10794	100.0
180.11165	5.0
201.01964	8.4
210.56444	1.1
223.09770	47.8
224.10149	3.8
249.21465	1.2
260.06802	1.5
274.47507	1.2
275.09125	5.8
355.10733	1.1
356.25912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44341	1.1
52.55973	1.0
53.31385	0.9
59.01384	15.7
61.32348	1.0
67.63658	1.0
69.15118	6.7
72.99304	1.1
87.00883	17.7
91.98254	1.0
98.22691	2.4
103.00391	5.6
105.44347	1.2
112.98831	14.2
129.02992	1.2
130.08739	1.9
130.99893	2.1
133.10297	1.6
135.11827	19.0
136.12131	2.0
138.91963	1.1
149.00940	11.2
161.04608	1.5
179.10793	100.0
180.11195	6.2
201.01897	2.1
223.09784	25.3
243.06685	1.8
275.09256	4.5
316.70169	1.2
325.55374	1.3
330.69913	1.2
334.81189	1.4
355.10275	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.8
69.30125	0.9
69.33828	1.4
69.34218	3.2
81.07088	0.9
87.00883	14.6
88.28808	0.9
92.08871	0.8
98.22662	1.3
103.00374	6.4
112.98821	16.4
130.99828	1.3
133.10197	1.0
133.30621	0.9
135.11813	19.2
149.00937	3.6
161.09697	2.0
179.10793	100.0
180.11107	6.6
223.09769	25.2
224.09975	1.4
352.65540	1.1
355.10269	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	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.9
60.36126	1.1
62.58809	1.1
62.82078	1.0
63.39975	1.1
69.38826	4.4
70.44650	1.2
73.02953	1.4
77.10403	1.2
80.53310	1.4
80.96928	1.4
87.00884	17.5
103.00381	3.9
106.06635	16.7
111.04572	1.5
112.98839	9.2
119.63490	1.3
130.08766	1.5
130.99927	1.6
133.10201	2.5
135.11821	21.1
149.00926	3.1
150.05605	11.2
156.42081	1.4
161.09805	1.6
169.52368	1.3
179.10796	100.0
180.11124	6.0
192.06639	1.8
194.04503	2.7
199.96156	1.3
223.09770	38.4
224.10092	2.6
355.10397	2.8
355.14304	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	19.9
61.98836	3.8
71.01391	3.9
71.44164	1.3
72.99313	1.6
73.02959	2.6
75.00865	5.3
77.55659	1.3
81.03461	1.3
83.05028	2.3
85.02980	2.4
87.00890	16.9
101.02483	1.5
103.00381	3.7
106.06635	93.9
108.08183	6.2
111.04516	1.9
112.98799	11.6
130.08745	5.8
130.99841	2.1
134.03766	14.0
135.11835	18.2
136.28455	1.4
137.02455	2.4
149.00945	4.2
150.05618	51.8
151.04015	4.4
161.02515	2.4
161.04576	4.4
161.09860	1.7
164.07187	11.3
175.03871	1.5
178.02655	1.5
179.05649	15.6
179.10788	100.0
180.11162	6.5
192.06686	8.2
193.05052	40.6
194.04553	25.4
198.86113	1.3
219.06624	1.6
223.09758	35.3
224.10156	3.7
236.05632	4.7
267.06573	2.8
296.07565	4.0
340.09512	3.6
355.10675	7.9
356.09897	6.3
356.25339	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	355.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29250	1.5
59.01382	3.8
61.98837	4.3
64.95288	1.5
66.79927	1.4
71.01401	2.2
85.02983	1.7
88.04073	1.6
105.54763	1.7
132.04568	100.0
133.04913	5.2
134.03745	6.2
139.19188	1.5
176.17859	1.4
191.05687	2.4
193.01479	1.7
193.05092	5.8
221.48839	1.7
339.06595	1.5
355.10098	2.0
364.21347	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	355.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	6.3
63.15636	3.0
71.32007	5.1
72.52523	3.2
72.92931	3.4
80.82920	3.1
132.04567	100.0
133.04968	5.5
134.03780	7.3
193.05090	12.0
226.04155	3.3
374.10596	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	355.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37831	4.8
59.01381	100.0
61.98832	86.5
69.27406	27.7
71.01392	11.4
71.95641	5.3
85.02978	14.9
87.00885	5.6
89.02419	8.7
101.02442	6.6
103.51540	5.4
106.02187	5.1
109.32642	5.2
111.97755	6.0
113.02471	8.4
114.05630	22.3
132.04552	15.9
134.03760	19.2
150.05563	8.3
156.44807	7.7
161.04648	8.1
163.04074	6.4
178.02753	12.1
181.73279	6.4
184.90063	5.3
190.96036	6.6
191.05807	6.1
193.01375	7.1
193.05089	23.4
194.04631	9.2
227.19359	5.1
240.13533	6.6
249.07655	6.6
271.48175	7.1
295.14136	8.3
307.31772	5.8
355.03329	29.3
355.11194	20.8
373.58652	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	355.1188
Annotation	Cudraflavanone B
Peak:m/z	Relative Intensity
50.12519	1.0
56.41834	1.0
57.03450	1.2
61.98826	2.2
62.74250	0.9
66.38867	1.1
75.04243	1.1
98.09443	1.0
119.05045	6.3
145.02950	1.2
147.04527	13.0
148.05321	1.1
162.03273	2.0
163.03992	1.5
164.04810	1.7
165.05634	1.5
175.04016	93.9
176.04796	56.5
177.01952	2.1
177.05177	2.4
188.04797	1.4
189.05649	6.5
190.06371	38.3
191.06798	2.7
204.04282	22.1
206.02220	1.4
208.03780	14.6
217.05072	15.5
218.05853	14.6
219.06630	49.0
220.07063	2.0
222.05344	22.2
231.06570	2.3
235.07713	1.7
237.05722	1.8
251.07101	2.6
263.07007	1.6
267.06635	4.7
268.07303	1.6
278.05774	1.4
279.06616	8.0
280.07315	1.3
289.04984	1.1
291.06573	2.1
294.08871	1.5
295.06161	12.0
296.06952	10.6
297.07730	1.9
306.09009	2.6
307.06171	10.4
310.08527	5.6
311.09244	17.5
311.26041	2.3
312.09775	2.2
322.08395	10.8
325.10837	8.2
327.12378	4.7
337.10928	7.4
340.09631	2.6
345.70334	1.3
355.11899	100.0
355.24817	4.0
356.12262	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57976	2.7
56.74078	2.2
63.01482	2.6
69.28015	2.9
84.93869	4.7
98.22636	2.6
99.92597	47.4
100.93378	13.3
109.64773	2.5
115.92088	14.0
116.92876	100.0
117.92907	5.3
311.16785	3.6
322.60330	2.6
355.15851	66.6
356.16077	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	355.2023
Annotation	12-Methoxyajmaline
Peak:m/z	Relative Intensity
59.01416	1.6
59.02997	1.7
61.98850	2.3
69.91412	5.5
75.00874	8.7
79.94270	1.4
96.39374	1.8
183.13914	29.6
184.14284	2.1
186.79874	1.7
241.08472	1.7
259.09665	2.5
279.23419	4.4
297.24377	42.2
298.24753	3.1
355.20255	100.0
356.20511	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	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.63274	0.8
55.98463	0.6
69.53802	3.1
73.97494	0.7
107.05051	1.5
109.02958	0.7
122.03750	8.3
135.04541	25.7
136.01709	0.8
136.04878	0.8
147.08156	1.8
149.06158	1.3
149.09746	7.2
149.10901	1.0
151.07675	0.9
154.02782	1.0
161.09726	7.3
163.07677	3.3
163.11305	48.2
164.08435	16.6
164.11612	3.9
165.09161	1.9
166.34354	0.6
177.09232	59.1
178.09993	17.9
179.10791	100.0
180.11108	6.5
187.11314	1.7
191.10786	10.7
193.08650	1.4
252.95291	0.8
265.12329	1.3
279.13940	0.9
280.14700	2.6
289.26828	0.9
298.15771	47.9
299.16055	4.6
307.17038	1.4
309.22275	1.1
313.21948	1.0
321.18668	1.2
322.19547	1.4
337.21768	40.1
338.22098	6.0
340.20453	69.4
341.20786	8.7
355.22821	85.1
356.23123	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	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
53.60777	0.9
61.98829	0.8
70.59318	1.1
76.27807	0.8
81.08318	0.9
147.08162	3.0
161.09709	1.1
163.11311	4.5
187.11150	0.8
187.16718	0.9
265.12338	2.6
280.14688	6.6
289.16000	1.0
305.63272	0.9
307.16867	2.3
321.18616	1.8
322.19373	3.2
337.21759	100.0
338.22092	13.2
355.22849	1.9
355.32135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64191	0.7
61.28762	0.7
61.98838	100.0
65.41412	0.7
69.78162	2.7
93.75493	0.8
112.74164	0.8
141.00446	3.3
153.90269	0.9
198.87674	0.9
203.16257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03235	0.6
60.14263	0.5
61.98837	100.0
69.10920	2.8
69.11335	1.5
88.53791	0.6
98.22648	1.0
109.62253	0.5
118.30579	0.5
177.64641	0.6
183.55843	0.6
194.77921	0.6
196.43112	0.6
268.96323	0.6
290.51477	0.6
305.84909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	60.5
69.33568	61.2
81.57706	10.6
98.21857	12.6
110.85641	10.4
119.01409	9.8
121.03021	10.9
158.19977	11.3
165.74437	10.8
179.28912	11.5
189.01894	11.8
192.95734	14.6
201.52792	11.2
342.11118	22.1
357.13437	100.0
357.16870	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	356.2446
Annotation	(9Z)-3-hydroxydodecenoylcarnitine
Peak:m/z	Relative Intensity
59.01382	2.9
61.98838	2.1
74.02462	1.6
82.03002	1.4
84.04562	5.0
85.02982	0.6
94.66397	0.6
100.04058	1.7
100.07728	1.5
102.05625	82.4
103.05979	2.0
105.55590	0.7
110.16697	0.7
121.02981	1.5
128.03564	100.0
129.03935	1.6
143.62286	0.7
146.04625	12.1
152.10825	0.6
159.11194	0.6
169.79990	0.7
192.95906	0.9
208.06923	0.6
209.19112	1.1
214.21858	0.6
226.21762	5.0
227.20193	61.6
228.20518	4.3
266.24911	2.7
268.26468	14.0
268.29340	0.7
269.26749	1.1
294.24530	3.0
312.25476	16.7
313.25793	1.5
338.23407	13.6
339.23578	1.3
356.24460	82.5
357.20499	1.2
357.24756	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	357.0618
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
69.61599	1.2
98.00684	0.3
98.22569	0.7
121.02962	100.0
122.03299	3.2
133.94749	0.3
136.01634	0.6
151.04028	0.5
152.32872	0.4
165.01921	0.9
166.68137	0.4
180.05830	1.6
181.06612	6.2
182.06943	0.4
190.02747	0.7
225.05559	7.2
226.06044	0.5
229.05052	0.8
233.92113	0.3
269.08142	0.5
272.06870	0.6
287.09369	0.7
313.07187	7.7
314.07568	1.0
342.11209	0.5
357.06155	29.9
357.12680	2.3
358.06421	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	357.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41965	0.3
58.90254	0.2
59.01385	1.4
59.93997	0.3
69.45441	1.3
71.01380	0.5
81.03472	0.6
87.00889	1.0
91.05540	0.7
92.94174	0.3
93.03471	1.2
95.04995	0.4
103.05546	0.4
105.03476	0.3
108.02163	2.1
109.02962	90.1
110.03288	2.3
112.98816	0.5
115.05540	1.0
119.05043	2.7
121.02982	2.4
123.04537	2.7
129.03494	4.4
130.04245	0.8
131.05060	1.7
133.03014	0.4
135.04504	2.5
136.01637	0.5
137.02463	1.0
145.02992	0.7
146.03757	3.0
147.04536	35.2
148.04857	1.5
149.00937	0.8
151.00365	1.9
151.04085	0.6
158.03751	4.5
159.04529	100.0
160.04861	5.7
161.06105	1.3
174.03214	0.3
175.03978	1.4
181.12390	2.2
184.05365	0.3
211.02638	0.4
219.02957	0.5
223.07635	0.6
225.05632	0.3
225.11354	8.0
226.11705	0.5
237.05627	0.6
239.07246	0.6
251.07225	1.2
252.07875	3.1
254.05788	0.6
268.07339	1.7
269.08203	34.9
270.08490	3.0
315.18170	0.7
354.75302	0.3
358.22653	0.7
360.18018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
58.99877	0.5
59.01382	6.0
61.98824	1.8
69.43050	2.6
71.01089	0.5
71.01398	6.6
74.99380	1.3
80.91689	1.3
82.99925	0.5
83.01392	3.8
85.01468	8.2
86.99348	0.5
98.21911	0.6
98.99397	13.1
99.00864	1.4
99.99466	0.9
101.00964	14.7
102.01018	0.8
102.80392	0.5
102.98863	3.5
111.00902	0.9
113.00977	1.3
116.29252	0.5
117.00457	23.6
118.00538	1.2
118.38841	0.4
123.03068	2.2
125.00967	9.1
126.98893	2.3
127.02499	1.1
127.58962	0.4
129.00485	0.7
129.04123	0.5
130.08762	0.7
139.02545	1.0
141.00461	100.0
142.00563	6.9
143.02023	3.4
144.99980	2.5
151.02496	2.6
153.00459	15.4
154.00562	1.2
155.02016	4.6
160.25621	0.5
167.02022	5.2
167.99107	0.5
168.99977	2.6
171.01503	14.0
171.05107	2.6
172.01743	1.4
172.05260	0.5
183.01532	6.2
185.03032	0.7
195.01511	15.0
196.01770	1.5
197.03072	7.9
198.03148	0.9
199.01064	1.1
199.04652	0.9
201.02579	10.7
202.02722	1.0
213.02612	2.1
261.04666	11.3
262.04910	1.7
297.03140	0.8
339.04202	2.0
341.23706	0.5
357.02719	0.9
357.06866	16.8
357.11349	0.9
358.07010	1.7
361.58551	0.4
373.63608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80873	0.6
57.03455	1.4
59.01387	9.7
61.98812	0.6
65.05915	0.6
69.26369	2.7
71.01376	4.2
73.02951	1.0
75.00883	1.5
81.03474	1.5
85.02960	2.4
87.00876	3.1
89.02457	1.9
93.03471	2.9
95.01396	1.1
99.00898	0.9
101.02455	1.5
105.01947	6.7
105.03442	0.8
107.05044	1.0
108.02184	100.0
109.02975	39.5
110.03342	0.7
111.00875	0.8
113.02448	1.4
119.03564	0.9
121.02951	1.5
123.00806	0.7
123.04559	2.3
125.02473	1.1
129.01955	2.6
133.02962	2.7
134.03796	1.1
135.04556	7.9
137.02463	7.8
145.02859	0.7
147.03020	2.4
147.04205	0.6
149.02454	1.4
151.04034	2.8
152.01166	64.2
153.01973	21.8
154.02234	1.0
161.02492	1.6
161.04462	0.8
162.03210	0.8
163.04002	1.6
165.01942	1.5
177.01978	4.8
177.04202	3.0
177.05562	1.3
179.03545	3.8
180.04314	0.9
180.17067	0.5
195.05122	19.3
195.06688	10.0
315.07181	1.4
339.07263	1.4
353.70758	0.7
357.08292	66.0
358.08606	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	357.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08589	9.9
55.08603	9.9
56.56962	9.5
59.01380	61.1
61.98829	12.7
65.03967	45.8
69.21564	69.6
71.01382	30.3
72.57619	11.4
78.95903	49.4
81.03432	12.5
83.01392	12.1
87.00856	12.2
89.02447	15.0
93.03455	17.7
97.06582	50.0
98.21896	23.5
101.02469	12.5
105.01925	27.3
109.02950	15.4
115.04015	23.0
116.07178	23.2
118.24311	11.9
121.02990	38.6
123.04519	20.0
127.93060	10.4
130.08769	14.4
133.02998	12.5
135.04524	37.5
137.02469	55.5
148.04022	52.7
148.91000	12.3
149.04417	23.5
150.05620	15.6
151.04085	18.9
153.01968	20.1
159.06662	100.0
162.03314	13.3
177.05598	15.0
178.05013	15.4
179.03584	21.3
195.03334	19.8
195.05098	60.1
195.06659	33.3
203.24814	10.2
242.18718	16.9
277.96133	11.8
292.01736	12.5
305.32895	10.6
306.59274	10.4
313.25974	12.3
357.08624	20.1
357.25278	26.5
361.03223	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	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89811	0.7
59.01382	5.5
61.52398	0.6
62.17648	0.5
70.61143	1.2
72.99310	2.9
73.02962	2.8
79.46356	0.5
84.03074	0.7
87.00886	9.1
95.05029	1.5
103.00375	0.9
105.01951	0.6
112.98827	1.2
133.74469	0.6
136.01691	4.3
148.99731	0.8
149.00929	16.5
149.02283	1.1
151.04007	5.0
163.11324	3.4
181.12370	22.3
182.12708	1.7
183.10289	5.3
190.02713	0.8
201.01978	2.3
207.10196	0.7
215.47824	0.7
225.11349	100.0
226.11714	7.2
275.09244	1.2
277.10822	1.0
290.25659	0.7
342.11218	0.8
357.13327	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	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	53.9
69.11274	3.8
69.11674	2.5
71.01392	21.2
78.95898	1.1
83.01418	1.8
85.02962	4.5
87.00877	1.6
89.02453	23.5
95.01382	1.5
98.22669	2.3
101.02459	13.6
108.02155	1.3
113.02467	7.9
116.07198	2.1
119.03515	9.7
125.54941	1.0
130.08795	3.6
133.02905	1.0
134.03763	1.5
135.04584	2.5
136.01712	2.5
136.05315	1.4
149.67821	1.0
151.04016	3.4
151.11255	2.3
152.05840	1.0
152.07108	1.9
161.02443	2.6
161.04558	1.1
162.03239	72.0
163.03761	4.0
177.05588	100.0
178.06015	5.0
179.05682	1.2
195.06612	10.0
225.11346	4.6
261.83466	1.0
262.77240	1.0
301.20151	1.0
357.21411	5.8
358.11353	2.8
358.20395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89315	0.4
59.01382	20.5
64.73118	0.5
70.11854	1.2
71.01369	2.2
78.95900	0.9
85.02946	0.8
89.02447	0.9
94.07980	0.5
95.26492	0.5
101.02441	1.4
108.02185	1.9
109.02940	1.1
119.05032	2.7
121.02935	2.1
123.04530	3.3
124.01626	0.8
125.02469	1.4
134.03697	0.8
135.04532	10.2
136.01651	0.6
136.05313	18.6
150.03252	0.6
151.04013	3.0
151.07634	3.3
162.03247	2.1
177.05569	3.6
185.24991	0.5
187.28877	0.4
195.06633	100.0
196.06982	6.0
203.07085	0.6
233.69234	0.5
277.33865	0.5
289.07156	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	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
57.03456	1.5
59.01382	50.0
63.57957	0.9
65.62907	1.0
69.63278	3.1
71.01017	1.6
71.01389	19.9
72.99321	0.8
73.02956	1.1
76.54799	0.9
83.01380	1.5
85.02964	4.0
89.02449	18.9
95.01393	2.7
99.04567	0.9
101.02452	12.9
108.02168	1.6
113.02440	6.9
118.02927	0.8
119.03517	9.3
121.02917	0.9
123.04510	5.8
130.08736	2.0
134.03726	1.9
134.21797	1.0
135.04535	1.3
136.05354	2.4
143.03497	1.1
150.03241	0.9
151.04008	2.3
153.05582	5.7
161.02449	2.0
161.04552	1.0
162.03241	67.0
163.03958	4.4
177.05580	100.0
178.05930	4.9
179.05536	1.4
186.25124	1.1
195.06651	16.4
196.06917	0.9
207.92784	0.9
357.21371	3.0
358.19791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1341
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01372	0.9
69.03438	0.3
69.39056	1.3
71.01389	0.7
71.84685	0.3
74.02457	0.4
85.02954	0.3
89.98200	0.3
92.02676	0.5
93.03473	1.3
94.85359	0.3
96.00996	0.3
101.02481	0.3
103.84250	0.3
107.50406	0.2
108.02199	1.3
109.02950	0.7
114.05566	0.3
121.02967	8.1
122.03776	4.1
123.00835	0.4
123.04514	0.8
124.01678	0.5
130.08743	0.5
134.03760	1.0
136.01674	74.8
137.02357	2.8
145.06572	0.4
147.70346	0.3
149.06056	0.4
151.04021	100.0
152.04350	4.5
159.04533	0.9
160.05299	1.3
161.02478	0.5
161.06090	0.3
161.47200	0.3
162.03236	1.2
163.04066	1.3
175.04001	0.9
175.07681	1.2
176.04742	0.4
177.05574	1.1
179.03491	0.4
187.03917	0.3
189.05576	0.4
195.03011	1.4
203.07155	0.5
226.11922	0.3
236.23138	0.3
301.18723	0.3
311.12955	1.0
342.11151	4.0
343.11523	0.4
357.13461	18.6
358.13788	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32277	0.4
56.01569	0.4
59.88259	0.4
61.98840	0.4
69.28507	1.3
99.04528	0.8
104.02708	0.6
107.05052	1.0
118.04256	16.1
118.90256	0.4
119.04597	0.7
121.02936	0.5
121.06661	0.6
131.05067	0.4
134.03735	4.1
137.02505	0.8
145.02991	2.0
148.01688	0.9
149.02441	0.4
155.08661	1.4
156.05759	0.7
161.02419	1.0
162.03239	13.0
163.03595	0.6
171.08159	2.1
173.02423	1.1
176.01112	0.6
177.01965	0.5
181.06584	0.5
185.06136	0.5
187.07661	0.8
189.01939	5.8
190.02727	48.0
191.03111	2.6
192.95956	0.9
197.06151	0.6
199.07651	4.4
200.08055	0.5
201.01918	0.9
201.05647	0.6
202.02603	0.4
203.03529	2.6
204.04306	1.4
211.07608	0.6
213.05519	0.4
215.07076	0.9
217.05070	0.5
222.01683	12.4
223.02045	0.6
225.05693	0.8
228.04510	0.5
229.05077	2.0
230.05814	3.1
231.06454	0.5
237.09134	0.5
242.05890	0.7
243.06624	40.4
244.07066	4.5
253.12216	0.9
256.07367	1.3
257.08234	1.5
258.08871	0.5
266.05743	0.5
267.06720	0.8
269.08246	1.5
279.10455	0.4
281.08289	1.2
283.09796	4.9
297.11343	0.7
298.12091	13.0
299.12460	1.5
313.14478	14.1
314.14807	1.4
324.10110	0.5
325.10718	0.4
339.12384	4.8
340.12668	0.7
342.11081	4.4
357.13446	100.0
358.13776	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	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32008	0.4
69.03437	0.5
69.12589	2.2
83.58574	0.3
84.02173	0.3
92.02718	0.7
93.03461	1.6
108.02200	2.2
109.02960	1.0
121.02973	8.3
122.03788	4.4
123.04567	0.5
124.01604	0.4
134.03751	1.3
135.04593	0.5
136.01675	84.4
137.02174	2.5
149.06094	0.5
151.04022	100.0
152.04349	4.0
153.01968	0.4
159.04565	0.6
160.05289	1.5
161.02534	0.7
162.03252	2.0
163.04005	1.5
174.02148	0.4
175.04082	0.7
175.07640	1.3
176.04834	0.6
177.01941	0.4
177.05547	0.9
179.03526	0.8
189.05540	0.5
210.09015	0.3
266.77115	0.3
311.13046	1.0
337.40991	0.3
342.11136	3.6
343.11417	0.5
357.13458	16.2
358.14044	2.3
379.75021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94041	1.5
69.14586	6.4
69.14990	3.7
72.38361	1.4
100.25195	1.5
108.02197	16.7
120.51289	1.5
120.71294	1.8
123.04544	34.4
146.03711	1.5
147.04492	2.5
148.05298	11.7
149.02493	4.0
149.06088	5.4
150.03261	5.1
151.04045	2.5
158.03748	1.8
159.04510	11.0
160.05341	23.2
161.06018	4.7
162.03230	4.8
164.04814	3.0
165.05542	3.7
173.06075	2.7
174.03218	8.0
175.07712	9.6
176.04756	3.7
177.04036	3.5
177.05586	67.8
178.06360	25.6
187.04047	12.1
188.04829	16.3
189.05388	2.4
191.07166	22.1
192.07924	16.8
193.08684	2.2
194.12218	1.8
194.31631	1.8
203.07155	100.0
204.07448	6.1
206.05887	17.9
210.05342	8.2
219.06700	3.1
220.07495	3.9
221.08203	68.5
222.08594	5.6
224.06934	10.6
233.08168	1.9
263.07178	1.8
269.08069	1.9
277.26462	1.5
281.08118	3.7
291.06558	4.0
295.10004	1.8
309.07843	3.3
311.12912	5.2
313.10757	5.0
322.39499	1.9
324.09955	4.3
327.12503	9.5
328.12885	3.2
339.12350	32.6
340.12701	4.5
357.13483	33.9
358.13962	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	357.1343
Annotation	Triptonide
Peak:m/z	Relative Intensity
56.21992	0.4
69.74509	1.5
78.17097	0.4
83.72585	0.4
99.04537	1.0
107.05019	1.2
117.03452	0.6
118.04255	18.9
119.04591	0.7
121.02956	1.3
121.06653	0.6
128.61374	0.5
134.03763	5.9
145.02922	1.4
148.01740	0.5
155.08693	1.5
156.05879	0.8
161.02464	1.3
162.03239	17.0
162.04593	0.9
168.42993	0.4
171.08148	1.7
173.02440	1.1
176.01122	0.9
177.01932	0.5
181.06631	0.6
187.07661	0.9
189.01959	4.9
190.02725	60.1
191.03006	3.1
197.06129	0.8
198.06860	0.7
199.07687	5.4
201.01920	1.0
201.05753	0.6
203.03561	2.9
204.04245	1.4
206.76309	0.4
209.05989	0.4
211.07669	0.5
212.08253	0.7
215.07114	1.1
216.04382	0.6
222.01717	12.8
223.02307	0.6
225.05533	0.8
227.07109	0.8
228.04288	0.6
229.05052	2.1
230.05875	3.1
236.80821	0.5
239.10666	0.6
242.05832	0.6
243.06619	46.0
244.07024	4.1
245.08145	0.5
253.12398	0.9
255.06636	1.3
256.07358	1.4
257.08255	1.1
258.08768	0.6
266.05798	0.7
267.06613	1.8
269.08179	1.5
281.08212	1.1
281.11877	0.6
283.06451	0.9
283.09723	5.5
295.09686	0.7
297.11316	0.8
298.12131	14.8
299.12482	1.6
313.10953	1.0
313.14487	15.2
314.14804	1.5
315.12399	6.3
325.11093	1.0
339.12338	6.4
340.12610	0.7
342.10754	3.8
343.11783	2.8
357.13446	100.0
357.26337	2.0
358.13882	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94041	1.5
69.14586	6.4
69.14990	3.7
72.38361	1.4
100.25195	1.5
108.02197	16.7
120.51289	1.5
120.71294	1.8
123.04544	34.4
146.03711	1.5
147.04492	2.5
148.05298	11.7
149.02493	4.0
149.06088	5.4
150.03261	5.1
151.04045	2.5
158.03748	1.8
159.04510	11.0
160.05341	23.2
161.06018	4.7
162.03230	4.8
164.04814	3.0
165.05542	3.7
173.06075	2.7
174.03218	8.0
175.07712	9.6
176.04756	3.7
177.04036	3.5
177.05586	67.8
178.06360	25.6
187.04047	12.1
188.04829	16.3
189.05388	2.4
191.07166	22.1
192.07924	16.8
193.08684	2.2
194.12218	1.8
194.31631	1.8
203.07155	100.0
204.07448	6.1
206.05887	17.9
210.05342	8.2
219.06700	3.1
220.07495	3.9
221.08203	68.5
222.08594	5.6
224.06934	10.6
233.08168	1.9
263.07178	1.8
269.08069	1.9
277.26462	1.5
281.08118	3.7
291.06558	4.0
295.10004	1.8
309.07843	3.3
311.12912	5.2
313.10757	5.0
322.39499	1.9
324.09955	4.3
327.12503	9.5
328.12885	3.2
339.12350	32.6
340.12701	4.5
357.13483	33.9
358.13962	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	357.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
61.98845	1.7
66.65308	0.9
69.84930	1.0
69.85263	2.4
95.64296	0.9
98.22598	1.2
117.03487	1.6
117.21146	0.9
118.04253	6.6
121.02943	1.8
129.03455	2.5
132.02184	0.9
133.02977	1.4
134.03778	1.1
142.12941	0.9
145.02960	4.5
161.02481	3.6
162.03264	6.8
173.02426	3.7
176.01132	5.1
177.01926	2.8
187.03847	0.9
189.01958	10.7
190.02733	39.0
191.03284	5.0
192.95877	3.0
199.07674	2.6
201.01973	1.7
203.03534	3.8
204.04428	0.9
204.06587	1.1
211.97720	0.9
215.07126	2.3
217.01434	32.2
218.01741	1.6
222.01711	10.9
225.05681	1.2
227.07103	1.5
229.05119	1.8
230.05870	3.5
231.03027	1.6
231.06657	3.8
241.05151	1.2
243.06644	4.0
244.07286	1.4
259.06116	42.1
260.06506	2.9
273.07635	1.0
298.12134	1.3
311.12915	7.8
313.14487	1.2
315.12244	1.1
327.08994	2.4
329.13968	4.9
341.33105	1.0
342.11090	2.5
357.13452	100.0
358.13657	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	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86599	0.5
55.01882	3.4
64.20053	0.6
70.91830	0.8
73.86778	0.5
83.01389	79.5
84.01704	1.6
85.02943	0.8
93.03468	1.5
108.02205	0.7
118.21915	0.6
121.02961	15.0
122.03750	22.2
123.04565	7.9
124.04927	0.7
134.03694	1.0
135.04510	0.9
136.01669	29.2
136.05298	4.5
137.02295	1.1
137.06105	13.2
147.04535	5.6
151.04016	39.3
152.04361	1.8
154.02675	0.8
159.04497	0.9
159.28265	0.5
160.05345	0.8
160.20592	0.5
161.02525	0.8
161.06107	4.0
162.03210	1.6
162.06844	2.3
163.04013	0.7
173.06064	0.9
175.03957	0.8
175.07610	0.8
176.01263	0.6
177.02007	0.7
177.05650	0.8
189.01947	1.4
189.05894	0.7
190.02748	3.2
191.06985	0.7
201.01990	1.1
202.02748	0.8
203.03447	1.7
204.04221	0.8
205.05077	0.6
206.05902	0.8
209.08214	3.8
217.05089	2.7
221.08231	8.2
222.01602	1.0
229.04913	0.6
241.04904	0.7
243.06660	1.3
252.45532	0.6
256.03708	0.7
272.07001	0.7
283.06241	0.7
284.03223	1.6
287.09329	1.3
297.11008	0.7
298.12018	1.4
299.05560	1.5
313.14493	2.4
339.12372	0.7
342.11072	11.5
343.11343	1.7
357.13446	100.0
357.26337	1.7
358.13785	10.2
358.17899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18981	2.6
53.51416	2.6
55.01871	4.3
57.03432	4.2
59.01387	4.6
61.98826	5.7
66.05831	2.5
77.99490	2.5
83.01397	90.9
88.77263	2.6
89.26029	2.7
93.03526	3.6
109.02977	2.8
121.02964	19.2
122.03758	25.9
123.04559	10.4
123.08124	2.6
132.04587	19.4
136.01668	24.9
136.05322	4.0
136.07683	9.2
137.06140	12.9
143.10806	3.6
147.04483	3.4
151.04039	29.4
161.06117	4.1
164.62309	2.6
188.62463	3.2
207.75671	2.7
221.08247	7.6
243.19719	5.4
246.54402	3.1
281.12958	5.2
284.03403	4.0
294.98807	2.8
313.15491	3.7
342.11002	11.8
357.13474	100.0
357.22864	17.7
357.26614	10.7
358.13766	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	357.1346
Annotation	Saururin A
Peak:m/z	Relative Intensity
59.01386	0.6
61.98821	0.9
63.86627	0.6
69.46063	0.5
69.89412	1.7
75.75301	0.5
82.61430	0.6
93.03460	0.7
98.21941	0.8
118.04257	6.2
121.02966	27.3
133.02972	0.8
134.03716	1.0
136.01665	1.5
136.49117	0.6
139.11253	0.7
145.02943	1.6
151.03926	1.3
157.06589	0.9
159.04541	0.9
161.02478	1.6
162.03218	5.9
173.02461	1.3
174.03174	0.8
175.04027	0.9
176.01097	0.8
177.01947	0.6
180.05795	0.7
181.06638	2.0
183.04520	0.8
185.06123	1.6
189.01915	4.3
189.05644	0.7
190.02728	32.1
191.03130	1.9
195.04553	0.9
197.06171	0.8
199.07747	1.0
201.01955	8.5
201.14935	1.4
202.02692	2.7
203.03517	17.6
204.04126	2.2
205.05002	1.4
211.04013	1.1
212.04785	1.1
213.05582	4.3
215.03555	0.7
216.04256	2.4
217.05043	3.8
222.01701	8.1
225.05591	1.9
227.07207	0.8
228.04317	0.6
229.05069	13.2
230.05638	2.2
239.07191	1.0
243.06575	5.1
245.04497	2.0
255.06621	3.0
257.04541	15.0
258.05112	2.3
259.06055	1.9
260.95578	0.7
269.08258	0.7
271.06149	3.1
272.06940	0.9
281.08127	0.7
283.06189	2.3
287.09415	2.8
297.11343	9.0
298.11557	0.7
299.09357	1.6
309.07806	0.9
313.07169	2.4
313.10922	2.0
313.27518	1.4
314.11490	1.7
324.10089	3.4
325.10791	2.9
327.08823	1.0
329.14255	0.8
339.12518	3.9
342.11169	10.6
343.11450	1.3
357.06924	8.6
357.13437	100.0
357.26282	6.1
358.06427	1.1
358.13748	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	357.171
Annotation	CHEBI:68175
Peak:m/z	Relative Intensity
50.81729	0.7
51.63905	0.6
61.98838	1.1
68.31573	0.6
71.44881	0.7
71.45245	0.6
87.84610	0.6
120.44901	0.6
121.02962	1.9
139.45415	0.6
145.02951	0.8
148.01605	0.8
149.62653	0.6
161.02443	0.9
162.03255	0.9
169.06609	1.5
171.08162	1.7
185.06091	2.8
186.06844	1.5
187.07654	1.7
189.02013	1.4
190.02655	3.9
192.95811	2.2
197.06134	2.7
198.06860	1.1
199.04088	1.8
199.07614	6.3
201.01947	21.4
201.05544	0.7
202.02290	1.2
203.03520	0.8
213.05571	4.9
214.06395	6.5
215.06993	3.0
222.01575	0.9
225.05679	1.0
229.05226	0.7
240.15147	1.1
241.05115	3.1
242.05881	5.1
243.06628	50.5
244.07098	4.4
245.04594	1.0
254.13113	1.7
257.08176	1.8
259.06070	1.9
267.14047	1.0
273.07846	0.8
283.13443	6.0
284.14133	0.9
295.09857	1.9
299.16238	1.4
310.12109	13.7
311.12863	11.8
312.13687	18.7
313.14063	2.8
325.14432	10.5
327.12610	1.1
327.15985	18.4
328.16525	1.7
342.14722	27.4
343.15067	2.8
357.17093	100.0
358.17419	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	357.171
Annotation	CHEBI:68175
Peak:m/z	Relative Intensity
61.98831	1.7
69.48827	2.6
69.49236	4.5
70.18102	1.2
80.93416	1.5
104.02695	2.8
118.04265	3.2
121.02963	4.6
132.61674	1.5
133.03036	1.6
135.00931	1.9
145.02965	5.6
148.01646	3.1
150.94740	1.3
161.02441	4.2
162.03249	5.5
163.00362	1.8
173.06134	1.4
176.01160	4.1
177.01898	1.6
185.06184	2.0
189.01904	8.8
190.02731	22.4
190.99861	2.1
192.95886	2.8
199.07562	2.2
201.01929	1.6
201.05649	1.7
203.03500	2.1
216.04362	2.8
222.01692	3.6
229.05017	7.9
230.05801	3.3
236.32559	1.5
243.06659	19.2
259.06067	2.4
269.08261	4.8
271.06195	5.3
286.28516	1.7
297.11237	2.2
309.11349	1.9
311.12900	63.1
312.13419	11.6
327.12436	1.7
327.16046	4.7
342.10861	1.3
342.14743	28.6
343.15228	3.3
357.13303	25.9
357.17084	100.0
358.13681	3.3
358.17441	10.3
383.54645	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	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57030	1.3
52.13520	1.7
59.01384	100.0
60.01710	1.7
62.43916	1.3
70.45206	2.5
71.01396	8.7
73.02956	7.4
83.01412	1.4
85.02941	2.1
89.02452	2.9
101.02429	5.8
113.02470	3.2
116.92857	5.8
121.02969	44.0
136.01604	2.5
181.06551	2.8
225.05560	3.8
313.07059	4.9
357.02139	1.6
357.06186	10.2
358.06421	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38631	1.7
59.01382	100.0
61.98829	4.7
71.01370	7.8
73.02953	2.6
83.01385	1.8
85.02969	3.9
101.02457	4.5
113.02409	2.0
121.02995	3.6
125.99583	1.8
132.04596	5.0
136.01698	8.8
136.07692	2.8
151.04031	14.1
161.04622	3.4
164.07207	2.6
198.35876	1.5
209.11945	2.0
217.00484	1.7
342.11057	2.2
357.07190	1.8
357.13379	4.2
357.22766	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	358.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03853	1.5
59.01385	25.4
70.78326	2.4
71.01389	10.0
76.94559	1.4
80.05074	3.7
85.02956	2.3
87.00871	3.8
89.02457	8.6
95.01447	2.0
101.02448	5.4
108.04552	1.8
113.02442	3.2
119.03504	3.2
120.04626	2.2
121.05363	10.4
122.06142	6.9
123.00895	8.6
123.04494	2.0
132.04576	100.0
133.04903	4.9
135.04558	3.5
136.03992	1.7
138.03244	8.0
149.04843	20.2
150.05646	11.3
152.07227	2.0
153.05650	3.2
164.03619	1.5
164.04868	2.0
177.04337	21.7
178.05113	25.2
179.03508	4.9
179.07123	2.0
181.03828	1.6
182.02232	6.8
195.05040	2.2
197.04565	19.6
198.20766	1.5
206.74403	1.5
217.00342	4.5
219.39114	1.7
333.37146	1.7
340.10324	14.3
358.11472	66.6
359.11417	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07809	1.1
59.01383	31.0
71.01389	13.0
71.41335	1.4
74.99078	1.4
78.61326	1.0
83.01375	1.4
84.74545	1.1
85.02956	2.7
87.00835	1.4
88.80483	1.3
89.02456	14.1
95.01363	1.7
101.02442	7.7
108.02213	1.5
109.02962	2.9
113.02445	4.6
113.03561	1.5
116.36637	1.0
119.03506	4.1
123.00903	18.8
125.02449	2.7
132.04564	100.0
133.04926	5.9
135.04556	3.5
136.99110	1.5
137.02441	2.7
137.06064	1.2
138.03250	30.5
149.02394	1.6
150.05565	1.9
153.01965	1.9
153.05573	13.0
164.04770	5.9
166.99910	6.2
167.03551	1.3
174.99294	1.4
179.03502	1.6
179.07130	5.7
182.02217	25.4
195.04964	1.5
197.04552	51.8
197.08197	1.9
201.02545	2.3
217.00392	3.0
239.05449	1.3
242.05824	1.9
247.47063	1.1
271.09766	1.7
359.09698	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	358.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.2
59.70322	1.5
61.30480	1.5
70.94304	2.5
87.36096	1.8
97.79847	2.0
101.02462	2.0
104.18569	1.6
128.12119	1.6
132.04565	100.0
133.04958	2.7
150.05579	2.6
174.99202	1.7
183.94727	2.0
188.49115	1.7
197.04546	2.7
201.02625	2.0
217.00237	3.2
239.28030	1.7
286.49661	2.0
359.10123	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	358.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01389	11.8
69.03465	0.9
71.01376	2.5
72.99322	1.2
73.02953	4.3
84.67980	0.3
85.02979	1.2
85.06609	0.4
87.00947	0.5
87.04533	1.1
89.02446	0.9
93.03516	0.4
97.03003	0.4
101.02473	0.9
108.02237	0.6
108.08208	100.0
109.06615	0.7
109.08537	3.4
111.04561	0.4
113.02457	2.8
115.07655	0.7
117.05871	0.5
119.03765	0.4
120.08199	3.9
121.02969	1.9
122.03802	0.5
122.09670	0.5
129.09227	0.6
130.08771	0.9
132.08223	1.4
133.03012	0.7
134.06113	0.9
135.04539	0.8
136.01683	10.8
136.07704	0.5
137.02000	6.0
148.07712	1.5
151.04030	13.4
152.04462	8.5
152.07190	79.7
153.07536	3.3
153.09229	1.5
161.02463	1.4
163.14993	0.8
164.07173	0.7
166.08749	16.1
167.09085	0.5
173.11861	1.5
176.07088	0.7
187.13516	0.5
194.08255	9.2
195.08603	0.7
196.06178	51.7
197.06483	2.7
197.08176	0.9
209.11877	0.4
211.07390	0.4
217.00310	0.5
217.21555	0.4
223.09863	0.7
225.14941	0.4
228.00082	0.3
238.07239	7.8
242.18712	0.5
249.08473	0.4
250.79964	0.4
298.09369	4.4
299.09290	0.4
299.18640	4.7
314.11584	0.5
317.19714	26.1
328.18799	0.5
343.11502	1.2
358.10779	4.8
358.14630	0.7
359.20767	8.2
359.24802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28204	1.3
59.01389	15.4
65.41005	1.2
65.41872	1.4
67.01900	1.8
68.05039	2.8
69.80971	3.2
69.81314	2.7
70.02973	1.9
71.01400	7.9
71.05010	3.6
73.02956	1.4
73.04077	1.8
74.02480	7.7
78.95926	3.7
82.02985	5.8
82.06623	5.9
83.04497	1.4
83.74916	1.3
84.04589	1.4
84.08208	2.0
85.02952	1.5
87.00866	2.3
89.02448	3.4
98.02473	7.6
98.22666	1.6
100.04052	3.8
101.02443	2.1
101.07225	9.7
103.00370	1.7
109.04100	3.3
110.02434	1.5
112.04052	3.4
112.98828	2.0
113.02466	1.5
116.07193	98.4
117.07571	2.6
122.09765	2.3
123.03257	4.4
126.05600	2.2
127.05154	10.6
128.03539	15.5
129.10349	3.7
130.08752	28.1
131.09088	2.3
134.06142	2.7
135.04535	2.0
135.11835	2.0
136.11349	4.5
140.07214	10.4
145.06235	6.9
149.04877	1.6
152.10828	1.9
153.12814	1.7
155.08316	1.7
157.13489	2.8
166.08743	11.5
167.11925	2.6
168.13959	2.7
169.09850	2.5
171.15051	1.8
178.05092	4.0
179.10672	1.7
179.12042	2.8
180.10326	42.5
180.11917	2.2
181.10765	1.5
183.11365	13.5
185.16599	26.2
195.11343	1.6
197.12968	8.2
207.11238	1.6
209.09416	2.0
222.12453	1.8
223.10893	14.0
224.09343	3.1
227.10347	6.3
227.12894	12.5
229.15564	8.8
240.13579	3.8
241.11977	18.7
242.18785	1.9
269.11450	6.1
296.19797	8.4
313.13983	1.7
340.18799	41.5
341.19043	2.3
358.19846	100.0
359.20337	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	358.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	17.6
61.98840	19.9
63.04742	13.9
69.37057	78.3
78.38718	13.7
154.50146	13.8
182.01024	14.8
191.29176	15.9
192.27919	15.1
228.83176	17.3
236.07799	16.6
278.11380	18.2
315.19397	100.0
316.20074	16.2
358.19748	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	358.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54439	45.4
61.41915	46.8
70.51561	100.0
70.51900	42.7
78.74628	41.0
121.13235	44.0
156.92056	42.6
212.35149	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83218	0.5
57.91539	0.4
59.01386	97.3
60.01729	0.6
60.21676	0.5
61.45012	0.5
69.05466	0.4
90.97123	0.4
93.55011	0.5
96.70587	0.5
98.36405	0.4
106.40304	0.4
132.06755	0.5
132.98218	2.2
157.03548	2.8
159.01532	0.7
174.99274	24.6
175.99594	0.7
201.02570	24.9
202.02765	3.1
217.00319	100.0
218.00702	3.0
222.16019	0.5
237.41429	0.5
268.10651	0.5
274.99545	0.6
317.00702	1.1
359.01541	5.2
360.01895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01382	95.4
59.66258	0.4
60.01717	0.9
69.03453	0.3
70.53500	0.7
70.53829	0.5
71.01385	5.7
72.79652	0.4
72.99330	0.8
73.02953	0.4
78.95904	0.6
83.01408	1.1
85.02953	1.3
87.00854	0.6
89.02445	4.2
90.97121	0.5
93.03463	0.4
95.01419	1.2
100.99171	1.0
101.02451	1.9
103.00707	1.0
107.05062	0.7
108.02192	0.5
109.02949	1.2
109.06651	0.4
113.02477	1.4
113.17884	0.4
115.04036	0.4
117.00448	1.6
119.00192	2.7
119.03509	2.1
121.02970	0.7
123.00902	11.0
123.04526	1.4
124.04021	0.6
125.02494	0.7
127.00732	0.7
130.08789	0.8
132.98204	1.7
134.03795	0.7
135.04538	18.0
137.02414	2.4
138.03246	14.8
141.00482	1.5
142.00630	0.6
143.00140	4.5
149.02472	1.0
153.01988	2.4
153.05589	7.5
155.00208	1.2
155.02011	0.5
157.01761	0.7
157.03549	2.3
159.01474	1.1
161.02473	1.1
161.04562	0.5
166.98669	0.4
166.99847	2.7
167.03519	1.1
171.05165	0.6
173.01186	0.5
173.04916	0.8
174.99258	25.1
175.99651	0.6
179.03529	1.9
179.05646	0.5
182.02225	9.5
182.05826	0.5
196.07170	0.5
197.01488	0.9
197.03119	1.2
197.04564	25.0
197.08301	0.9
198.04875	1.1
199.02893	1.6
201.00914	1.1
201.02562	25.9
202.02707	2.3
211.06134	0.4
217.00310	100.0
218.00714	2.8
239.05617	1.1
257.07822	0.4
263.04492	1.0
271.09781	0.5
298.99545	0.7
341.04141	0.6
359.01376	2.4
359.06229	0.9
359.12747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.02986	0.7
59.01385	91.4
60.01717	1.0
61.98829	1.0
69.03456	1.4
69.53177	1.9
71.01385	1.1
80.91734	0.5
85.02967	0.7
89.02467	0.6
96.00910	0.6
98.99414	0.6
101.00957	0.7
101.02459	1.0
109.02953	0.7
111.04553	0.5
113.02476	3.3
115.04041	0.7
117.00454	0.9
123.00911	0.9
124.04053	1.1
125.02454	1.0
127.05106	0.6
129.04138	0.5
132.98201	1.9
134.04756	5.6
135.04546	10.8
138.03241	1.4
141.00443	1.8
143.00203	0.7
151.04105	0.7
153.01933	1.9
153.05617	0.9
155.01971	0.6
157.01747	0.8
157.03578	2.6
158.99706	0.7
159.01486	1.2
159.33595	0.5
170.99742	0.7
171.05157	0.5
174.99260	27.3
182.02214	1.2
194.99751	0.7
197.03065	1.5
197.04572	3.4
198.03229	0.7
199.02831	1.3
201.00911	1.3
201.02573	23.1
201.04321	0.9
202.02756	2.2
213.00917	0.8
217.00317	100.0
218.00613	3.6
227.12912	0.6
257.07727	0.7
315.16583	0.9
341.04483	0.6
341.09888	0.5
359.01520	2.6
359.05688	0.5
359.10666	1.2
359.19464	1.1
360.01550	0.6
360.06665	0.5
360.12952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01897	2.3
57.03453	73.5
59.01383	62.2
70.70365	4.0
71.01382	11.4
72.00912	5.2
72.99307	12.5
75.38374	2.6
85.02961	100.0
87.00872	24.4
89.02457	12.1
97.06593	6.1
101.02444	30.4
109.02985	4.9
113.02518	3.3
119.03536	4.4
123.00895	12.2
123.04539	7.6
125.02391	2.8
129.01945	23.3
135.04550	16.2
137.02443	3.1
138.03230	17.1
149.45041	3.7
152.91624	2.8
153.05577	5.7
159.06662	7.2
161.04567	66.5
164.04802	2.9
174.99248	8.4
177.01955	3.1
179.03526	10.3
179.07156	6.3
182.02238	10.3
193.06653	5.5
195.28020	3.7
197.04546	49.0
198.04996	3.3
200.00859	2.8
201.02562	8.2
207.07953	2.6
217.00298	40.3
219.08034	4.3
223.07549	4.1
224.08405	5.3
237.09222	12.9
254.11838	5.5
271.09854	6.4
280.09915	5.4
281.08157	6.2
298.10706	5.6
341.11423	19.6
359.13065	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0988
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01390	5.8
62.26871	0.5
69.67894	1.8
69.68241	0.7
71.01378	1.1
76.97310	0.5
81.35100	0.6
89.37878	0.5
95.01369	3.4
101.02439	0.7
102.05606	0.7
104.22214	0.4
113.02403	0.6
123.00901	46.5
124.01225	1.4
125.68738	0.5
128.03543	1.5
130.08752	0.7
135.04538	0.7
137.02464	1.1
137.06094	1.6
138.03244	53.6
139.03589	1.8
153.05597	19.0
154.05888	0.7
166.99870	13.2
182.02228	38.9
183.02516	1.8
191.05650	0.6
197.04570	100.0
198.04915	5.3
217.00342	1.6
229.15573	0.8
239.05693	0.9
278.48746	0.6
359.09732	2.7
359.13919	0.6
359.19812	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
52.43859	1.1
55.42880	1.0
59.01385	100.0
59.90183	1.1
63.41512	1.1
71.01387	38.1
73.02967	2.1
83.01415	1.4
84.23899	1.3
85.02975	7.1
87.00890	2.6
89.02454	34.2
94.71812	1.1
95.01411	4.1
96.36434	1.1
96.96026	3.5
99.20081	1.2
101.02445	21.5
109.02978	1.6
110.48325	1.2
113.02478	13.5
119.03516	11.7
119.05051	3.7
120.28612	1.1
121.02999	8.4
123.00912	4.7
137.02470	5.6
138.03273	5.3
138.04240	1.3
139.00398	1.4
139.04027	2.7
143.89053	1.2
151.00394	1.7
153.05597	6.6
161.04588	2.1
166.99945	3.3
181.01488	5.2
182.02185	9.9
183.03032	2.7
190.04953	1.5
195.06654	1.6
196.03903	3.4
197.04572	44.9
197.08226	2.8
198.04932	2.9
211.06032	9.3
222.67052	1.3
224.03304	2.9
227.12872	7.2
228.38332	1.1
239.05630	29.7
240.06004	1.7
253.04843	1.3
269.06723	2.4
299.07764	6.0
299.11084	2.3
327.10977	2.1
344.07571	2.2
359.09906	67.3
360.10214	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	359.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
57.03428	1.0
59.01384	97.2
60.01722	1.0
61.98841	0.9
62.61927	0.6
65.03960	2.2
67.52654	0.6
69.03458	0.5
69.73312	1.1
71.01387	23.3
72.00895	0.5
72.99326	0.8
73.02952	0.7
78.95914	1.4
83.01395	3.8
85.02963	3.6
87.00857	1.2
89.02451	24.3
90.99732	0.5
91.05558	0.9
92.92307	0.5
93.03472	0.9
95.01412	1.7
97.02950	0.7
98.22559	0.8
100.99176	1.3
101.02449	8.3
103.00738	1.6
107.05038	3.0
109.02962	3.9
109.06611	2.1
110.98565	0.8
113.02452	7.0
117.00526	0.9
119.00227	2.6
119.03519	9.5
123.00919	7.1
123.04502	1.4
125.00938	0.6
125.02492	1.0
127.00715	1.2
130.08752	7.2
131.03545	0.8
132.98247	1.5
134.03813	1.0
134.04765	1.7
135.04536	100.0
136.04883	3.9
137.02469	6.1
137.03427	1.0
138.03253	12.5
141.00455	2.3
142.00584	1.2
143.00165	8.5
143.03482	0.7
143.12001	0.6
149.04553	0.9
153.01990	1.5
153.05606	6.9
155.00179	0.8
157.03603	1.8
161.04588	1.2
162.68736	0.5
166.99893	1.5
171.05049	0.6
173.01265	1.3
174.99269	15.7
178.96016	0.6
179.03503	8.6
179.05685	1.0
182.02220	8.1
185.01219	1.1
197.01305	1.6
197.03131	1.0
197.04572	19.1
198.03239	0.7
198.04866	0.7
199.02866	1.4
200.67944	0.6
201.02559	15.3
202.02815	1.4
217.00308	65.8
218.00627	2.2
263.04602	1.0
283.78671	0.6
298.99313	0.9
299.02893	0.8
359.01474	1.7
359.09973	2.6
359.15601	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	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16997	1.0
55.01878	1.3
58.00598	1.6
59.01383	100.0
69.96680	4.2
71.01389	50.9
72.01698	1.4
72.99317	2.1
73.02933	1.9
83.01405	3.1
85.02955	11.8
87.00874	2.3
89.02451	54.5
95.01375	5.9
101.02453	28.8
109.02959	2.1
113.02451	19.6
119.03510	21.8
120.99651	1.7
121.02962	1.6
123.00011	1.7
123.00897	29.8
125.02503	1.5
131.03539	1.5
132.04575	6.0
133.04915	2.2
134.03763	2.8
135.04535	4.7
137.02448	3.5
138.03239	31.3
143.03493	2.2
144.90944	1.3
149.02495	6.5
149.04543	1.5
153.02014	1.4
153.05580	13.5
161.04613	2.2
161.06137	1.3
164.04808	26.8
165.05165	2.0
166.99869	8.8
174.99261	1.3
179.03502	2.2
179.05710	2.8
179.07129	31.5
182.02205	26.9
182.05797	2.0
183.02489	1.4
197.04559	74.7
198.04919	4.4
201.02502	1.7
217.00258	5.3
242.05780	1.5
271.09625	2.1
342.65155	1.4
359.09915	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	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01381	25.7
63.93698	1.8
71.01389	10.6
75.82272	1.7
78.68146	1.6
80.58776	1.5
85.02946	4.3
89.02445	9.9
99.04540	1.9
101.02451	4.7
103.79787	1.6
113.02471	6.5
120.05807	5.6
133.10257	3.9
135.04524	3.3
135.08165	32.6
136.08546	2.0
145.02985	3.8
150.03181	1.6
153.09227	93.2
154.09554	5.1
161.02483	6.6
162.03178	2.4
174.03165	2.0
179.07138	3.9
189.01956	7.2
190.02725	14.7
197.08202	82.2
198.08533	4.9
199.07692	4.0
201.01964	9.7
202.02702	20.0
203.03378	2.7
204.04330	2.4
208.94514	1.9
213.05525	1.7
217.05063	36.4
218.05539	3.5
239.09250	3.1
241.05081	2.4
243.06644	26.1
244.07170	4.4
245.04541	5.3
256.07556	2.5
257.08188	4.8
259.06165	7.7
260.06937	4.7
299.05756	2.5
299.21558	2.2
314.08026	3.3
317.19617	4.1
326.11972	2.7
327.12436	4.9
329.10330	11.7
341.14047	1.9
344.12714	16.7
359.11642	3.6
359.15054	100.0
359.19806	3.1
360.15576	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	359.1353
Annotation	Semperoside
Peak:m/z	Relative Intensity
52.76191	1.3
55.01879	2.2
59.01385	13.9
60.66035	1.1
63.44363	1.3
63.68506	1.1
65.76877	1.1
68.99831	1.8
71.01386	5.6
71.05013	2.0
73.02953	3.7
74.02490	1.9
83.05034	2.0
85.02956	3.0
87.00891	1.7
87.04510	5.9
89.02464	2.7
95.05006	1.4
97.02962	2.2
101.02483	1.7
109.02954	1.4
113.02480	5.5
121.02977	6.0
123.04568	2.4
126.65730	1.2
130.08742	2.7
132.04608	6.0
133.10239	1.7
135.04498	1.4
135.08171	4.3
136.05365	1.7
137.02469	1.4
138.03256	1.2
145.02966	2.9
147.04523	5.1
149.00941	2.3
149.02441	1.3
150.05630	1.7
152.07167	2.7
153.09229	95.7
154.01486	5.2
154.09605	4.3
155.01843	3.7
158.03754	2.5
159.04471	6.6
160.05299	15.7
161.04730	1.4
161.06084	7.0
163.04021	10.7
164.04771	1.6
173.02435	1.5
173.06161	1.8
174.03267	5.7
175.04027	22.4
175.07643	9.9
176.04796	8.8
177.05528	4.0
177.09279	1.8
178.06377	7.0
180.04353	4.4
183.13927	1.3
188.04814	2.9
189.05589	8.3
190.06375	22.5
191.07172	15.7
192.07843	2.5
193.05070	5.9
193.08653	1.8
194.05821	3.8
197.08209	100.0
198.08490	5.7
203.07169	2.4
205.08701	14.1
206.09157	2.3
207.06606	3.2
208.07433	20.0
217.00356	1.8
221.08159	2.4
222.08885	3.0
223.09660	1.7
227.13026	2.4
239.09296	4.6
297.12384	2.9
315.13528	3.0
317.19666	7.8
324.16501	3.5
329.13934	25.1
340.54919	1.1
344.12769	2.9
359.15005	27.3
359.20697	5.3
360.15482	5.0
360.20544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1351
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01870	2.9
57.03453	1.9
57.18686	1.3
59.01389	32.7
69.03456	1.5
71.01395	12.8
71.43158	1.3
73.02962	2.2
77.17134	1.2
83.05044	1.4
85.02958	4.2
85.53616	1.4
87.04530	4.1
89.02472	8.4
97.02968	1.6
99.04504	2.2
101.02451	8.0
107.08672	1.5
109.06637	1.8
111.04543	2.1
113.02486	6.9
119.03512	2.9
119.53034	1.1
130.08786	1.6
133.10236	3.0
135.04611	2.1
135.08179	6.9
138.09367	1.5
153.09235	100.0
154.09593	5.5
167.10800	1.9
177.09213	1.5
179.07198	1.9
179.66939	1.2
190.36443	1.3
195.10342	1.5
197.08215	90.7
198.08580	4.7
221.08241	3.1
227.12920	4.1
239.09317	3.5
267.45831	1.3
299.18768	3.0
317.19730	12.5
324.16571	4.0
341.19437	1.6
359.13422	1.8
359.20728	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	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	77.1
60.01726	1.2
60.05822	0.9
69.74805	3.0
71.01383	6.4
73.02951	2.0
75.89162	0.8
83.01392	1.1
85.02959	2.0
89.02453	1.2
93.03460	1.5
95.01385	5.7
101.02445	4.5
106.04250	1.0
109.02935	1.5
113.02448	3.7
123.00898	47.9
124.01208	1.0
132.04579	1.9
137.02466	7.4
137.06096	33.8
138.03239	46.9
138.06410	1.1
139.00461	1.0
139.03609	2.6
153.05576	17.6
155.03532	1.4
161.04593	5.9
166.99884	13.4
174.99234	2.2
180.04294	0.9
181.01456	3.1
182.02234	41.0
183.02614	1.5
196.03833	1.2
197.04564	100.0
198.04967	4.7
201.02582	2.4
211.06174	1.0
217.00285	8.7
224.03372	1.2
239.05630	5.8
315.16910	1.8
344.07321	1.6
359.09845	20.5
359.19836	1.2
360.10229	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	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93365	0.7
53.35910	0.6
53.37493	0.7
57.03445	1.0
59.01382	6.4
61.98814	0.8
72.15455	0.6
72.99309	2.3
74.24471	0.7
87.00887	7.4
98.22641	1.5
103.00392	1.2
111.08147	0.9
112.98810	1.1
116.07199	0.8
118.10817	0.6
135.04567	0.8
137.09761	0.9
149.00951	13.4
149.02267	0.8
150.01331	1.0
151.04034	0.9
155.10812	2.3
160.05276	0.8
165.11414	1.0
165.12857	18.9
166.13239	1.4
166.98596	0.7
171.10184	0.8
175.07597	0.7
181.08670	0.6
183.13918	84.8
184.14307	3.8
188.02287	0.7
190.69699	0.7
191.10875	0.9
199.09793	1.2
201.13156	0.7
209.11832	1.7
217.00427	1.1
227.12915	100.0
228.13261	6.4
248.65237	0.8
258.08990	1.1
270.08969	1.1
284.07050	0.9
285.07968	0.8
285.11414	2.2
299.09219	3.8
301.10901	1.3
314.07922	3.6
317.19653	0.9
329.10312	7.9
329.13562	1.1
330.10312	1.0
344.12701	8.5
345.12823	1.4
359.15036	9.5
359.20096	1.2
360.15042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
68.71957	0.3
69.95399	0.3
69.95731	0.8
101.89064	0.3
109.02943	1.2
118.04252	0.9
130.04263	2.3
131.05017	0.5
133.02934	0.4
145.02954	1.4
145.06633	0.4
146.03775	2.2
147.04485	0.3
149.02516	0.4
158.03761	0.4
159.04514	0.9
161.02473	0.6
162.03218	0.7
163.04041	0.4
173.02451	1.3
173.06076	0.7
174.03246	7.0
175.03969	1.9
177.01907	0.4
183.08110	0.7
185.06111	0.5
187.04013	0.5
187.07588	0.6
188.04790	1.4
189.01956	2.2
189.05566	1.3
190.02748	3.1
191.03529	0.5
197.68338	0.3
199.07675	0.5
200.08449	0.3
201.01953	16.0
201.05614	1.3
202.02730	67.4
203.03314	6.4
204.04276	1.0
205.05101	0.6
206.02141	0.8
211.07625	0.7
213.05583	0.5
215.03300	0.3
215.07118	0.7
216.04254	0.7
217.05070	100.0
218.03365	0.6
218.05399	7.7
219.03064	0.4
222.01694	0.5
227.07199	0.8
228.04237	0.4
229.08711	0.7
230.02217	0.3
241.05147	0.5
242.05948	0.4
243.06644	1.1
244.03780	2.7
245.04568	17.0
246.04811	1.5
255.06602	1.3
256.07370	0.7
259.06128	7.2
260.06915	7.7
261.07224	0.8
270.08896	1.0
271.09845	0.4
285.07797	0.4
292.05914	1.6
299.12842	0.4
300.13596	0.8
301.10770	0.8
326.11563	2.5
327.12332	1.0
329.10321	1.4
330.10684	0.3
336.02036	0.3
341.13937	2.6
342.14487	0.6
344.12665	10.8
345.12967	1.1
359.15024	96.9
360.15344	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	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.7
59.52556	0.5
70.73098	0.8
80.50416	0.5
97.53835	0.5
112.62955	0.5
118.04256	20.0
119.04549	0.9
134.03745	6.1
137.02420	0.8
145.02946	1.4
161.02460	7.2
162.03235	18.1
163.03554	1.1
189.01942	5.1
190.02719	73.8
191.03096	5.8
201.01956	3.5
203.57452	0.5
205.05064	8.7
217.01421	0.7
219.02988	10.3
220.03429	0.8
220.99124	0.5
222.01733	2.0
255.06569	0.6
259.06134	2.0
262.82547	0.6
326.11478	4.0
327.12106	0.8
341.13913	3.4
342.14218	0.7
344.08316	1.0
344.12662	34.3
345.13004	5.1
359.14999	100.0
360.15372	11.7
363.93140	0.5
372.03549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50787	0.6
62.85870	0.7
70.72980	1.0
93.70006	0.7
94.38971	0.7
118.04263	25.0
122.45179	0.7
123.12845	0.8
123.98479	0.7
134.03749	7.0
137.02431	0.7
145.02950	2.0
147.04543	1.0
161.02469	6.9
162.03244	22.2
163.03763	1.1
177.38931	0.7
189.01968	4.2
190.02731	92.3
191.03270	7.1
201.01964	2.8
205.05077	9.3
215.07129	0.9
217.01584	1.0
219.03027	11.3
222.01694	2.6
231.06836	0.9
243.06607	1.5
259.06107	2.2
261.07645	4.0
316.12903	1.1
326.11646	4.4
326.14957	0.8
341.14093	4.5
344.12656	33.9
345.13113	4.5
359.15024	100.0
360.15384	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	359.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14491	1.5
63.32747	1.7
69.67760	6.0
75.72457	1.6
83.05061	1.7
89.69225	1.6
121.02900	1.6
123.08192	9.3
133.02940	4.0
145.02960	5.5
148.01616	1.9
149.02423	4.0
161.02451	4.5
162.03220	3.3
167.21460	1.8
173.06082	3.4
176.01128	3.9
177.01921	12.9
189.01944	30.0
189.05647	2.1
190.02702	11.9
204.04300	13.5
206.02144	2.4
212.08298	1.6
219.03104	2.9
227.07074	1.7
229.05121	3.9
230.05875	1.7
236.03264	3.0
240.08337	2.0
241.08733	3.8
241.47983	1.7
243.06615	4.8
244.07486	1.7
253.04988	3.7
255.06598	6.7
257.08188	3.2
267.06567	8.0
267.10196	1.5
268.07361	6.8
268.10690	1.5
269.08209	46.5
270.08514	4.9
283.09805	30.7
284.10080	3.0
288.13651	3.8
297.07574	5.0
299.09244	2.5
300.13614	4.7
312.10071	17.2
313.10577	3.0
316.13150	26.4
325.14423	3.1
327.12402	100.0
328.12662	10.0
329.13998	5.1
331.15387	8.4
339.56555	1.7
341.13577	2.2
342.14655	3.9
344.12491	3.2
359.15005	25.4
360.15356	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	359.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40127	2.4
57.94764	2.2
59.26745	2.0
69.78234	6.7
87.28477	2.1
93.17996	2.4
94.71562	2.3
99.92602	5.1
104.65933	2.1
107.05028	4.6
118.04240	6.6
121.02998	2.3
121.46320	2.1
145.02986	15.2
153.63712	2.4
155.08759	3.6
156.43332	2.3
161.02492	3.4
162.03185	5.3
171.08177	2.8
185.06285	2.1
186.06895	6.6
187.07689	3.1
189.01965	43.9
190.02710	21.1
197.06093	3.1
199.04022	3.6
199.07689	4.9
203.03482	2.9
204.04362	19.0
206.02211	4.0
213.05508	4.5
214.06281	5.6
215.07141	5.4
222.01709	4.3
230.05722	3.1
236.03255	5.3
242.05873	53.0
243.06619	100.0
244.06929	8.6
256.07431	3.9
257.08203	53.3
258.08530	6.4
272.10550	10.8
288.13632	4.4
316.13129	9.0
326.11618	68.6
327.11960	8.5
329.14087	5.6
341.13922	28.7
342.14160	3.4
344.12665	3.3
359.15158	13.8
378.83911	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	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60063	0.5
55.14431	0.5
59.01384	9.2
69.69588	1.1
73.02947	3.6
83.05027	1.5
85.02937	0.7
87.04446	0.6
95.05042	1.3
97.06596	1.1
118.04270	6.0
123.04572	0.7
131.05008	1.0
131.07156	2.6
133.02989	1.1
134.03777	1.9
135.08168	0.7
145.02977	4.7
146.03717	1.0
147.04544	1.3
149.02448	0.6
151.03986	0.9
159.04564	1.2
161.02466	2.4
162.03252	7.6
173.02452	2.1
173.06075	0.7
174.03226	1.4
175.03986	2.9
176.01218	1.0
177.01947	1.3
179.03583	0.6
179.31345	0.5
183.08142	1.3
185.06039	0.7
187.07761	0.7
189.01949	8.5
189.05640	2.7
190.02736	39.7
191.03043	2.9
197.08142	0.7
197.11900	1.3
199.04008	1.0
199.07758	1.2
200.08452	0.8
201.01955	28.2
202.02574	4.1
203.03540	6.7
204.04268	2.1
205.01520	0.6
205.05077	9.7
209.06078	0.9
211.07690	1.3
213.05492	0.6
216.04271	0.7
217.00285	0.9
217.05061	6.1
219.02995	0.9
222.01727	2.3
225.11353	0.6
227.07164	1.1
229.04976	0.7
241.05028	1.0
243.06670	3.9
245.04604	6.7
255.06702	2.8
256.07410	1.7
257.07983	1.0
258.05466	0.7
259.06198	1.4
267.06448	0.9
270.08997	2.0
270.12579	0.6
273.07751	1.1
285.07779	2.0
299.18616	4.2
301.10895	1.0
316.12967	0.6
317.19717	21.7
318.20209	1.3
326.11691	5.1
327.12241	2.2
328.54712	0.6
329.10242	1.5
341.13831	3.9
344.12656	28.3
345.13010	2.9
359.11508	4.8
359.15045	100.0
359.20663	16.2
360.15372	13.4
360.20154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
70.97063	0.8
73.39817	0.7
85.18978	0.7
98.01672	0.7
118.04266	14.1
129.66179	0.7
129.80881	0.7
134.03758	3.1
145.02965	12.0
161.02469	2.2
162.03229	14.7
163.81352	0.7
177.01932	1.6
189.01941	32.9
190.02721	100.0
191.03056	5.1
199.07637	1.1
201.02058	1.2
203.03447	1.3
204.04288	10.3
205.05054	25.8
206.05403	2.7
217.05159	0.9
222.01727	4.3
229.05186	1.6
230.05878	3.5
236.03293	3.5
243.06656	5.3
244.07384	2.6
245.08144	1.9
257.08188	0.8
259.06082	1.4
267.06485	2.3
269.08246	0.9
285.07339	0.9
327.12299	5.7
329.10364	1.3
332.97333	0.9
341.14001	1.4
344.12686	8.1
359.14999	92.8
360.15317	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	359.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10380	0.8
70.91772	1.3
109.02930	2.4
118.04252	13.3
133.02884	0.9
134.03732	3.9
145.02959	8.6
159.04506	1.0
161.02525	1.6
162.03233	15.1
173.02359	1.2
174.03249	1.0
176.01195	3.3
177.01942	1.5
189.01941	23.2
190.02718	88.6
191.03131	4.5
201.01920	4.8
202.02719	19.4
203.03365	1.4
204.04303	5.5
205.05043	20.3
206.05354	1.4
217.01680	1.1
217.05060	26.6
217.08430	1.0
218.05455	2.2
222.01773	1.8
233.38684	0.9
244.03816	3.0
245.04555	8.7
259.06079	5.1
260.06802	1.5
263.07001	0.9
267.06760	1.4
285.07651	1.0
317.19867	0.9
335.97250	0.9
341.13791	1.6
344.12607	10.8
359.14999	100.0
360.15356	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	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11042	0.5
53.95765	0.5
65.51613	0.5
69.74511	1.6
72.27722	0.6
92.47231	0.6
95.01411	0.9
109.60991	0.5
117.03462	0.8
118.04266	16.9
119.04591	0.8
133.02943	1.2
134.03737	4.2
145.02954	9.8
148.01678	0.6
149.02530	0.7
161.02467	4.8
162.03239	15.7
163.03537	0.6
173.02470	1.2
176.04787	0.6
177.01939	1.2
185.06128	0.8
189.01942	21.2
190.02733	100.0
191.03088	6.6
197.06212	0.6
199.07697	0.6
201.01942	2.8
202.02457	0.7
204.04256	4.1
205.05070	18.2
206.05460	0.8
211.07652	1.2
222.01714	2.3
231.27133	0.5
236.03308	0.8
239.06985	1.1
241.05168	0.9
241.08719	1.3
243.06619	1.1
255.06682	1.6
256.07452	1.5
257.08185	1.4
259.06110	1.9
267.06659	4.9
268.07370	0.6
273.07739	2.0
283.09738	1.7
285.07727	7.0
286.07950	0.8
300.13727	2.0
301.10672	0.9
315.12158	0.6
315.15875	0.7
326.11633	3.4
327.12393	2.0
341.14038	3.3
344.12659	11.9
345.13132	1.6
359.15015	85.9
360.15335	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	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91536	0.5
58.26558	0.5
70.82941	0.6
70.91232	0.7
104.02729	0.7
107.05038	1.4
114.88911	0.5
118.04267	1.6
129.25714	0.6
133.02921	0.9
134.03757	0.8
145.02963	2.4
148.01653	0.6
155.08635	0.9
161.02472	1.8
162.03235	1.9
171.08179	3.2
181.06589	1.1
187.07640	2.5
189.01923	6.3
190.02744	10.3
199.07671	6.3
200.08090	0.7
201.01956	2.1
201.05597	1.5
215.07144	2.6
222.01581	0.9
225.05632	0.7
229.05154	1.2
230.05827	0.6
242.05743	0.6
243.06639	100.0
244.07076	7.9
257.08255	2.2
258.09055	1.0
269.08237	1.1
286.08551	0.8
287.09225	1.1
299.12796	0.8
301.10870	0.8
313.10849	4.4
314.11682	3.6
315.12488	0.6
326.11365	1.2
327.12402	1.6
329.13763	3.7
341.13943	4.0
343.11670	0.6
344.12683	21.4
345.12952	2.8
359.15018	88.3
360.15326	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	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03356	0.6
57.03455	0.6
59.01367	1.1
70.73265	0.9
73.15575	0.7
87.10727	0.6
99.92517	0.6
101.06089	1.2
107.05065	0.9
118.04246	3.9
131.95755	0.7
134.03798	0.8
139.96947	0.6
145.02966	3.2
147.79353	0.6
149.16917	0.6
155.08698	0.9
161.02451	1.7
162.03230	4.1
171.08154	1.7
173.02542	1.3
177.02048	0.7
185.06117	1.1
187.07706	1.1
189.01978	5.7
190.02748	27.3
191.03059	1.4
199.04005	0.9
199.07646	4.4
200.08420	0.6
201.01953	14.7
201.05685	0.8
202.02414	0.9
203.03531	1.6
205.01361	1.2
205.05069	5.0
206.02274	1.0
212.04691	0.7
213.05539	0.8
215.07124	2.4
217.05028	1.0
222.01666	2.3
225.60086	0.6
227.07103	1.0
229.05101	1.4
230.05838	1.7
243.06633	57.2
244.07036	4.5
245.04688	0.7
255.06641	2.1
256.07425	1.2
257.08176	3.0
258.08917	2.2
285.07724	2.7
286.08475	1.3
288.13675	1.0
301.10815	3.1
314.11630	1.6
316.13174	0.9
329.14005	3.0
341.13812	1.4
344.12665	33.5
345.12793	4.0
359.15027	100.0
360.15363	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	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.2
71.30640	4.5
81.37694	3.0
84.28741	3.0
87.00880	4.0
99.04380	2.9
118.04285	4.3
121.02971	11.3
131.05095	3.1
133.06807	3.2
135.04530	5.3
136.01657	7.4
137.02348	2.8
145.02995	3.5
147.04562	5.7
149.00977	5.7
151.04071	5.2
153.09247	3.0
158.03658	4.2
159.04553	18.6
160.05333	34.2
161.06146	15.2
162.03189	5.3
163.03995	7.6
164.04817	7.5
165.12819	16.2
173.06023	4.7
175.03964	6.7
175.07669	23.7
177.01939	7.5
177.05618	3.4
178.06371	15.7
179.10837	3.3
183.13905	23.1
189.01993	8.3
190.02795	26.5
190.06355	6.2
190.99864	9.4
191.03442	5.4
192.07886	4.8
201.01967	6.8
203.03548	6.0
205.05078	5.8
209.11873	22.7
216.70726	3.9
217.00273	9.2
227.12897	100.0
228.13242	6.3
241.04927	3.7
248.89352	3.6
254.44838	3.1
270.08871	4.1
271.06143	3.4
275.09479	5.1
286.08316	3.9
299.09271	7.1
314.07794	9.1
315.12213	5.5
316.13174	4.2
317.19806	7.9
329.10165	17.5
329.13861	74.0
330.14285	8.9
344.12610	29.2
359.11206	22.5
359.14987	68.0
359.19980	6.3
359.24414	12.7
360.15390	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	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06038	0.4
59.01393	1.9
81.03483	0.6
87.00876	0.9
89.02422	0.5
91.02920	0.5
93.03513	0.7
95.05038	0.5
105.07119	0.8
107.05067	1.5
108.02164	2.7
121.02982	2.0
121.06587	2.3
122.03756	1.0
123.04534	3.8
134.03758	1.3
135.04539	33.8
136.04874	1.0
137.02484	0.6
147.04495	0.8
149.00926	0.8
149.02467	2.0
149.06090	9.2
150.03233	9.8
150.06462	0.5
151.04005	0.9
162.03210	0.6
163.04042	2.2
164.04820	2.1
165.05595	4.4
165.12871	0.8
166.02710	0.7
166.06369	0.6
179.03586	2.6
179.07147	26.8
180.07936	71.1
181.08267	4.0
182.05826	2.6
183.13893	5.7
192.07999	0.6
194.05885	3.8
194.07852	0.7
194.09497	5.6
195.06740	0.5
195.10272	8.7
207.06718	0.8
208.07417	14.8
208.09346	0.7
209.07877	0.8
212.06969	4.1
221.08282	1.1
222.08952	1.6
223.09770	100.0
224.10098	6.3
226.08470	5.3
227.12932	7.2
235.09737	1.5
269.08130	1.1
283.09689	1.3
299.09222	1.6
300.09982	1.3
311.09293	1.5
315.12280	2.0
316.13116	1.7
317.19684	0.9
326.11511	2.4
329.14047	1.2
331.15530	4.5
341.13934	1.7
344.12659	0.6
353.94897	0.6
359.10870	1.0
359.15067	11.0
359.20291	1.3
359.24524	0.7
360.14899	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	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48383	1.2
55.12572	1.1
55.60921	1.0
59.01377	2.2
61.98834	2.5
65.70744	1.2
70.65726	2.6
71.27234	1.0
81.07148	1.0
92.92828	1.1
96.95995	1.3
97.48063	1.1
99.83615	1.2
101.29288	1.0
104.02700	1.1
105.03531	1.2
116.29601	1.0
116.92860	1.2
118.04272	1.5
121.02976	2.8
122.95689	1.0
123.08181	10.4
133.02994	2.8
145.03003	5.5
149.02470	4.1
157.06630	1.3
161.02457	3.3
161.06090	2.3
162.03244	2.8
173.06125	2.1
176.01146	3.6
177.01941	13.6
178.02470	1.1
189.01945	27.5
190.02713	13.1
190.99860	1.9
201.01933	1.5
201.05569	1.6
204.04288	12.6
206.02176	3.6
211.07788	1.4
212.08485	1.1
215.06970	1.7
216.07745	1.3
217.05109	1.7
222.01736	2.4
225.09131	1.8
229.05051	4.2
230.05997	1.8
236.03343	5.5
241.08803	2.1
243.06651	5.4
244.07358	2.5
253.05054	3.0
253.08850	1.3
254.06027	1.2
255.06720	6.0
257.08157	2.8
257.12045	1.2
267.06680	8.6
267.10110	2.5
268.07382	6.2
268.10507	1.5
269.08191	48.5
270.08606	4.4
281.08124	1.3
283.09790	28.1
284.10156	3.4
288.13651	4.8
295.09805	1.5
297.07684	4.5
299.09283	2.5
300.13776	2.2
310.12036	1.7
311.09308	1.9
312.10056	23.0
313.10703	3.0
316.13171	24.3
317.13574	1.9
325.14590	1.5
327.12390	100.0
328.12756	11.5
329.13870	5.3
331.15436	9.5
341.14182	1.3
342.14633	1.8
344.12778	3.2
359.14984	27.3
360.15622	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	359.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03458	1.6
58.00599	1.1
59.01385	100.0
60.01725	1.3
65.73093	0.6
70.79477	1.1
71.01389	45.7
72.01718	1.1
72.99333	1.3
73.02960	2.4
83.01402	1.9
85.02959	10.6
87.00892	1.9
89.02454	51.6
90.02789	0.7
95.01387	3.7
99.00922	1.1
101.02454	29.7
102.02766	0.6
104.85769	0.5
107.45361	0.6
113.02465	19.4
119.03515	27.0
120.15012	0.5
121.02906	0.5
123.08229	0.7
129.48546	0.5
131.03497	1.8
138.02007	0.7
139.11311	1.2
143.03543	2.9
149.04564	2.1
149.09770	0.9
153.05663	0.6
161.04504	3.1
169.12396	1.6
179.05612	4.8
179.10808	2.9
182.02235	1.0
197.04575	2.4
197.11850	8.5
217.00215	0.8
226.88246	0.6
239.05540	3.3
266.88739	0.6
272.22095	0.6
339.75131	0.6
359.17130	54.4
360.17435	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	359.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34607	0.7
57.03454	9.9
59.01383	51.7
61.68084	1.0
69.03461	22.7
69.03828	1.8
69.14415	3.7
69.14826	2.1
71.01389	6.5
76.81958	0.8
83.01397	12.2
84.29987	0.7
85.02951	13.1
87.04514	11.8
95.01418	2.7
97.06604	1.4
99.08199	1.1
113.02457	63.6
114.02816	2.0
127.11308	1.6
131.03513	73.3
132.03857	2.7
139.11301	2.4
139.34473	0.8
157.12367	8.6
171.10263	1.5
173.38303	1.1
185.11845	24.9
186.12210	1.8
195.44669	0.9
201.11249	0.9
203.12889	49.3
204.13222	2.9
217.00285	1.7
218.92873	0.9
227.16562	1.4
243.19615	2.5
245.13992	2.6
259.13785	0.8
299.15048	22.5
300.15454	1.6
317.16061	100.0
318.16397	8.0
359.17114	23.8
359.28058	4.2
360.17630	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	359.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.7
59.01385	35.9
69.03461	1.9
69.49100	4.0
71.01398	3.4
71.05022	1.8
72.99327	4.7
73.02949	11.3
74.86168	1.1
83.05029	3.3
85.02977	3.4
87.00867	1.9
87.04527	8.6
93.03487	1.2
96.75182	1.1
97.06608	2.9
99.08169	1.3
101.02470	1.4
101.06075	1.0
108.08202	13.0
109.06599	2.7
109.08532	10.1
111.04544	3.2
111.08165	1.1
113.02397	1.0
115.07648	2.6
121.02981	2.1
123.04588	1.2
125.09753	1.4
127.07628	0.9
127.32081	0.8
129.09212	2.1
132.04619	1.0
133.02968	2.4
135.04526	3.5
135.08191	1.7
136.01671	11.9
137.01993	7.1
138.02141	4.0
141.09247	1.3
149.13376	1.5
151.04036	12.3
152.04410	8.5
152.07184	10.3
153.04514	6.8
153.07552	8.5
153.09207	8.5
155.10788	2.1
161.02457	8.9
165.09509	1.0
166.08716	1.7
167.09116	2.8
167.10870	1.4
171.07881	1.0
171.10289	1.3
173.04602	2.4
173.09508	1.0
173.11858	3.7
176.03995	1.3
177.02014	0.9
179.03496	3.2
180.25502	1.1
181.12354	1.4
187.13405	3.8
191.05612	1.5
194.08392	1.0
195.10205	1.7
196.04588	1.1
196.06113	5.5
197.04642	2.1
197.06480	7.0
197.08255	4.5
197.11823	1.5
199.09866	1.4
209.15610	1.2
217.00301	2.1
227.12894	2.0
241.14311	1.2
253.18147	2.8
255.19618	1.4
264.33032	0.9
293.06281	1.0
299.18683	17.8
300.19046	1.8
314.11597	1.1
317.19720	100.0
318.20062	7.1
329.13947	1.3
341.19589	1.1
344.12180	1.3
351.49835	1.0
359.08179	1.5
359.14478	4.6
359.20786	32.9
360.21124	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	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	26.5
60.28816	7.0
89.83879	7.4
94.81155	6.0
123.85931	5.7
143.21170	6.1
197.54704	7.5
205.90393	6.4
277.21750	100.0
278.21942	13.3
359.21988	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	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02060	0.5
59.01384	27.0
59.50808	0.6
68.66015	0.5
68.77559	0.6
70.63625	0.7
70.63962	0.8
79.89877	0.6
121.30122	0.6
132.22501	0.6
277.21744	100.0
278.22083	10.4
309.90781	0.6
359.15125	1.1
359.22061	14.8
360.22342	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	359.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26094	1.0
59.01370	5.0
61.98822	3.0
64.18340	1.1
65.35839	1.1
80.20177	1.4
89.02473	1.1
91.04008	3.7
92.54715	1.1
96.96024	1.0
97.02895	1.0
97.06591	1.3
98.21880	2.5
122.24648	1.1
125.06083	1.8
145.02838	1.2
162.03203	1.6
169.12317	1.7
171.16740	1.2
175.20010	1.1
189.01935	3.4
189.97035	1.5
190.02837	6.3
194.92833	2.6
205.05113	1.1
217.00290	2.3
221.19231	1.6
223.20673	73.3
224.21001	6.7
241.21814	2.3
243.06580	3.5
243.63260	1.1
249.18604	3.1
259.06146	1.2
267.19650	64.4
268.19855	5.7
285.20718	100.0
286.21021	10.5
344.12656	2.5
359.15048	10.7
359.19806	2.2
359.24390	39.2
360.24591	5.2
368.05106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58197	1.5
59.01383	5.6
61.98827	3.4
84.61031	1.3
96.96015	1.7
129.61417	1.3
152.91766	1.7
162.03310	2.0
189.01988	3.0
190.02773	6.2
194.92874	1.6
194.95554	2.2
195.93459	1.9
201.02409	1.9
203.03535	1.7
217.00282	2.7
223.20679	80.4
224.21085	6.4
241.21776	1.9
243.06561	2.0
259.05991	1.6
267.19666	67.5
268.19949	7.3
276.93121	1.8
282.14511	1.4
285.20737	100.0
286.21155	10.5
344.12704	4.4
351.68149	2.1
359.15048	15.8
359.24411	40.4
360.15387	3.2
360.24768	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	360.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	13.2
59.01392	100.0
62.32895	11.6
69.03468	14.6
69.68461	61.6
71.01392	33.9
71.81191	11.8
75.62307	13.7
77.09113	13.4
81.45497	13.6
85.02965	13.4
89.02437	18.8
98.55122	15.0
101.02438	21.1
104.63685	13.2
113.02451	43.9
123.00914	20.8
137.06071	27.8
138.06441	19.5
139.03534	20.6
140.01210	27.0
149.64748	13.1
154.01445	25.7
155.03525	34.7
197.04643	33.2
198.04858	47.3
213.09254	28.6
360.05832	26.4
361.07486	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	360.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	10.7
57.03698	1.8
58.02984	14.2
59.01384	100.0
59.44116	1.9
60.01719	10.3
61.98831	5.3
67.04430	1.8
69.03471	32.6
70.89722	2.8
71.01381	2.9
72.99323	2.2
79.05533	16.3
89.02460	2.3
98.99438	1.8
101.02448	2.1
113.02462	65.8
114.02791	2.9
115.04027	3.9
121.06606	6.0
123.00896	3.2
123.04548	4.3
123.08183	8.9
132.04549	7.1
132.98236	3.6
134.04736	9.1
135.04538	6.5
135.51349	2.0
136.04898	5.5
137.06065	4.0
141.00441	2.5
141.07109	9.5
148.04066	3.9
150.05643	3.9
156.05830	2.5
157.06654	2.3
158.06139	2.7
158.99779	9.6
159.08167	6.0
162.05646	5.1
165.05563	8.5
167.07146	7.0
169.01854	6.6
170.99768	3.5
171.08177	11.4
173.01331	5.5
174.99261	25.4
175.99600	4.0
179.05746	3.6
180.06680	2.6
183.08148	2.5
184.97795	2.6
185.06046	5.1
193.10141	3.3
195.08151	3.6
196.07561	2.3
197.01361	41.4
198.04895	2.1
199.02802	2.3
201.02521	5.6
202.02731	16.0
202.08719	3.0
202.98837	9.4
203.02400	7.0
211.11247	8.6
213.00876	5.7
213.09225	13.4
217.00316	89.1
218.00639	27.8
219.00706	3.2
227.10812	2.8
229.12294	10.1
230.11925	2.6
241.00349	2.1
246.07739	1.9
254.11974	3.2
255.10176	2.4
257.03519	2.0
257.08109	2.1
272.13028	15.6
301.07056	3.1
316.11978	4.4
360.01791	2.3
360.06711	2.5
360.13467	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	360.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59035	1.1
69.78184	2.1
69.78571	2.5
95.05025	11.8
111.76407	1.0
113.09706	1.2
148.61975	1.0
195.49162	1.1
217.12053	4.7
218.58075	1.1
221.15915	1.2
232.04688	1.4
237.14688	2.2
244.06975	1.1
246.06168	2.1
246.12381	4.5
249.22234	2.6
278.11389	9.8
295.22684	1.4
299.20071	2.8
315.19272	1.4
317.20996	100.0
318.21365	10.6
321.10632	2.5
360.15305	2.9
360.20944	15.8
361.20044	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	360.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98694	2.2
69.74688	5.1
69.75038	5.0
111.45950	2.7
186.12785	2.3
294.35617	2.5
360.21606	100.0
361.21909	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35877	1.7
59.01389	8.7
60.09985	1.5
61.98795	2.5
66.94874	1.6
71.01388	2.5
71.41854	2.7
72.00887	2.3
74.02469	3.5
74.58934	1.7
96.96001	4.5
100.55835	1.6
100.87830	1.7
116.05065	13.5
119.05019	9.4
130.06641	62.4
131.06979	2.1
141.98210	5.8
142.06627	3.0
159.09262	2.1
163.03987	12.4
174.99207	2.1
179.05507	2.4
187.98746	3.2
202.98746	4.7
203.08205	5.9
213.03513	4.4
217.00342	3.5
246.04498	4.6
255.04343	2.6
259.03873	3.8
301.05081	100.0
302.05295	7.5
313.26740	1.9
322.61578	2.2
361.09750	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44502	2.6
55.01877	2.8
57.03442	4.8
59.01387	100.0
60.56902	2.7
67.01874	2.5
69.03465	7.3
69.84911	10.1
71.01386	36.0
72.99316	12.7
73.02959	6.8
77.45299	2.6
77.56172	2.4
81.03484	7.1
83.01395	3.4
83.04379	2.4
83.04978	2.9
85.02966	9.3
89.02446	17.2
91.05536	3.6
93.03461	3.7
95.05007	2.7
96.96021	17.6
98.22685	3.9
98.88689	2.5
99.00904	8.3
101.02448	14.5
106.04252	3.3
107.05059	18.9
109.06579	5.2
111.04533	3.7
112.18925	2.7
113.02470	10.7
115.05549	4.5
117.01961	3.4
117.03495	9.7
119.03541	3.9
119.05029	15.3
119.08676	3.3
120.05916	3.8
121.06608	71.5
123.08184	4.5
130.04253	6.0
133.02969	6.6
133.06599	4.3
134.03780	3.1
135.04500	4.8
138.05606	2.8
141.06190	4.2
141.07141	34.7
141.71706	2.6
145.02968	67.7
146.03267	4.1
147.08160	3.3
151.04045	17.0
155.08717	28.6
155.10744	13.3
156.05754	16.2
156.08974	3.0
157.06606	70.6
158.07126	4.6
159.08218	5.2
159.13803	2.5
161.06062	5.7
163.04042	10.3
163.07654	5.2
167.05049	3.9
167.08687	9.5
169.06519	4.0
171.08170	17.1
171.11819	3.2
173.06113	3.2
173.09706	7.2
180.05809	7.1
181.06790	3.3
181.08710	17.1
183.08160	5.7
185.06137	16.7
185.09723	11.6
187.11250	5.5
193.10124	4.3
195.08174	71.3
195.10017	3.6
196.08626	7.9
197.09724	18.6
199.00023	3.9
199.07825	5.1
199.09790	17.0
201.05609	20.3
201.12758	4.3
209.09702	4.0
211.11308	62.7
212.11655	3.6
213.07149	4.3
213.09215	76.3
213.10873	2.7
214.09756	9.0
219.91953	2.8
229.12364	55.3
229.14421	5.8
230.12645	4.0
231.10185	5.7
237.14948	4.4
241.08731	14.4
255.10255	5.5
257.08176	4.9
273.11359	75.4
274.11713	6.4
281.14020	5.7
285.07764	11.8
317.10321	19.6
325.09399	20.3
331.02243	3.1
361.09543	46.5
361.15009	95.3
362.15234	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	361.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	29.0
59.01387	69.8
61.98829	3.9
62.24181	3.3
69.03462	53.5
69.78420	6.5
69.78807	6.9
71.01402	16.8
75.08685	2.8
79.05537	26.4
81.03466	3.4
81.80746	2.9
85.02975	4.0
89.02458	18.1
93.03462	5.5
96.95983	2.8
101.02462	11.5
107.05056	18.2
109.02950	6.2
109.06600	6.4
111.08166	5.2
113.02464	91.3
114.02771	3.5
119.03526	10.1
121.06584	16.1
122.03745	20.8
123.04572	4.2
123.43280	2.8
133.02962	8.0
137.06097	100.0
138.06458	4.1
141.07124	16.6
145.06604	3.3
151.04050	34.8
155.07036	3.6
155.08646	4.2
156.05827	7.2
157.06589	21.7
158.31726	2.8
159.08150	12.6
165.05600	17.5
169.10181	6.1
171.08174	33.0
181.05070	21.5
185.06120	10.8
185.09778	4.7
187.11308	9.4
195.08153	13.4
199.06078	6.3
203.07132	3.9
211.11307	25.7
213.09238	31.1
215.07182	3.5
229.12383	41.8
230.12662	4.7
231.10298	5.7
255.10219	4.3
273.11279	28.2
317.10349	4.2
361.11075	5.8
361.15198	7.3
372.47070	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	361.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03455	6.2
59.01385	7.9
65.03952	0.8
65.89229	0.6
69.03436	0.7
69.59212	1.3
69.59605	1.4
71.01392	2.4
72.17915	0.5
78.72710	0.6
79.95755	1.4
80.04764	0.6
83.05030	5.3
85.02941	1.4
85.60022	0.7
87.00887	6.4
89.02454	1.1
90.11116	0.6
95.05060	1.8
96.96021	70.6
100.13187	0.6
101.02447	1.4
105.07111	0.9
108.42979	0.5
109.06602	0.7
110.03724	0.6
111.04530	3.8
111.08163	1.8
113.02435	1.1
117.03455	2.2
119.05083	1.4
119.08681	1.7
121.06635	2.0
123.08174	15.7
124.05303	0.8
124.08528	0.9
137.09741	2.1
138.06955	1.2
139.07663	3.5
145.02971	11.4
145.10248	2.6
151.07677	1.7
153.09216	1.8
163.04007	1.6
163.07657	0.6
163.11339	0.6
169.08737	1.6
169.10297	1.8
171.11818	19.4
172.12138	1.8
181.08797	1.1
189.12849	6.8
199.09941	0.8
201.12881	7.0
207.13889	4.8
219.13838	3.0
237.14986	17.3
238.15224	1.3
281.13968	23.6
282.14273	2.2
317.10858	1.1
325.09308	2.4
361.09671	100.0
362.09979	9.9
365.59567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99853	8.4
51.79702	7.5
57.03461	12.0
58.13836	8.9
59.01392	100.0
64.62392	9.0
68.31190	7.8
69.69052	29.9
71.01405	21.3
73.02961	18.3
73.75941	8.4
75.00899	13.9
83.05045	20.6
83.27502	7.8
89.02462	12.8
90.34051	9.6
96.78357	8.3
101.02440	23.2
105.01999	10.9
109.02981	13.6
123.02914	9.0
131.04601	9.9
135.04527	11.0
137.09756	19.7
139.25090	9.1
155.10815	89.0
199.09792	90.5
199.13525	10.8
202.98822	12.0
206.98102	8.5
231.03548	9.3
241.10837	19.1
301.20267	17.3
319.21255	49.6
353.60916	8.8
361.18915	51.1
361.22488	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48452	0.6
55.01880	1.8
57.03449	1.8
59.01384	25.7
61.98829	2.4
68.70079	0.6
69.03447	1.9
69.32197	3.3
71.01385	13.4
72.99312	0.7
73.02944	1.0
80.11457	0.6
83.01382	1.1
85.02971	3.3
87.00873	1.1
89.01933	1.3
89.02448	15.5
95.01439	1.0
95.05010	0.8
96.96024	4.0
101.02467	8.2
107.05030	1.2
109.06602	1.0
111.08174	8.8
113.02460	8.4
119.03524	8.2
119.05032	1.6
121.02982	0.9
122.03752	22.4
123.08193	1.6
131.09671	0.7
137.06091	100.0
138.06467	4.2
143.03476	0.9
149.02463	1.2
151.04033	2.0
155.07178	2.4
156.07458	0.7
161.04614	1.4
163.04051	2.6
171.08156	0.9
171.11794	0.8
177.01988	2.3
179.05640	1.6
181.05081	18.5
182.05496	0.9
199.06161	6.9
199.09769	0.7
206.86557	0.7
213.09218	0.8
229.12575	0.7
237.14937	1.0
281.14032	1.3
361.10034	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	361.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17567	2.3
59.01085	4.1
59.01385	62.6
61.98827	4.7
69.52356	5.5
69.52736	5.3
71.01394	15.5
73.02940	4.0
85.02967	4.3
95.01382	4.4
101.02457	11.2
113.02480	10.3
123.00902	100.0
124.01669	10.5
137.02510	4.6
138.03242	80.2
139.04062	27.5
151.04060	3.8
159.03017	3.7
161.04610	25.1
163.03996	3.4
166.02769	4.3
174.99309	7.3
181.05101	11.3
186.93198	2.5
193.05064	2.6
201.01872	2.5
202.98752	8.3
203.02512	4.4
217.00281	21.0
290.97104	3.1
301.09357	28.8
328.90982	3.0
332.72864	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1509
Annotation	Gibboside
Peak:m/z	Relative Intensity
55.01884	2.1
56.41603	1.4
57.03452	2.7
58.00591	2.5
59.01384	18.1
60.07829	1.5
61.98837	12.6
70.14265	1.7
71.01389	10.7
73.02955	8.7
73.07816	1.4
85.02966	9.2
86.71825	1.7
87.04523	7.1
89.02460	2.8
95.01413	2.8
98.21785	3.5
101.02463	13.2
104.05059	5.8
113.02473	20.4
116.92847	2.1
122.06109	2.6
124.07594	2.0
131.03529	2.1
133.10306	1.6
135.08183	4.8
137.09737	21.3
139.11273	1.7
148.04062	24.6
150.05562	2.1
151.11360	2.0
155.10796	100.0
156.11089	3.4
161.04552	3.4
169.12355	4.7
181.08739	4.1
192.03056	18.7
199.09792	76.7
200.10071	4.3
212.10867	13.7
213.11293	5.0
226.07451	3.8
229.14539	2.6
240.09026	1.8
241.10838	23.2
253.10855	3.0
255.11453	21.5
273.12616	2.1
276.43579	1.9
299.10406	4.6
315.32785	1.7
319.20932	3.6
343.09378	17.5
361.10254	7.5
361.14383	2.3
361.18478	4.0
361.22415	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	361.151
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03448	1.3
57.30041	0.5
57.49760	0.5
59.01383	8.4
69.16650	1.9
69.17058	1.8
71.01392	5.6
73.02955	4.0
75.47023	0.5
83.01373	0.6
85.02953	3.4
87.00887	0.9
87.04517	3.3
89.02438	2.7
95.01401	0.6
101.02441	3.4
111.00897	1.0
113.02478	4.5
119.03486	0.6
134.23613	0.6
135.04553	0.9
135.08148	2.2
137.09741	13.6
138.10062	0.9
139.11238	0.5
155.10797	100.0
156.11127	5.4
161.04593	0.8
163.73103	0.6
169.12364	1.5
181.08730	2.1
181.52127	0.5
185.11902	0.7
194.24884	0.5
199.09782	90.5
200.10103	5.0
213.11353	1.3
223.09723	0.6
229.14444	2.0
230.14828	0.6
240.04315	1.3
241.10834	7.2
253.96397	0.6
298.08264	0.9
313.10733	1.6
361.08847	0.9
361.15308	1.7
361.22357	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	361.1508
Annotation	Gibboside
Peak:m/z	Relative Intensity
50.40816	0.5
56.11204	0.5
59.01391	2.8
66.57755	0.6
69.76315	1.7
69.80903	0.4
70.84280	0.5
71.01391	1.6
72.15529	0.4
73.02946	3.1
80.04925	0.4
85.02950	1.5
87.04531	2.8
94.30568	0.5
95.55048	0.4
101.02499	0.7
113.02468	2.7
135.08170	1.4
137.09741	11.5
138.10097	0.7
155.10796	100.0
156.11125	3.6
169.12402	0.8
181.08707	1.1
181.17258	0.5
199.09779	75.6
200.10136	5.5
213.11220	1.1
241.10817	5.0
243.35301	0.6
248.44527	0.6
338.78595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01388	13.1
59.45902	0.7
62.75813	0.6
71.01392	6.9
71.41976	0.8
72.99299	1.4
75.00880	6.7
77.45956	0.5
83.01366	0.6
83.05009	0.7
85.02964	2.2
87.00877	6.4
89.02453	1.3
99.00899	3.9
101.02417	1.4
103.00397	1.9
106.32985	0.6
109.96726	0.6
112.98830	4.6
113.02424	0.8
121.02946	0.9
129.01944	2.4
129.09245	0.7
130.99864	1.1
139.11307	1.2
149.00925	0.8
151.00320	0.7
157.50023	0.6
163.51590	0.6
167.46815	0.6
169.12370	5.7
177.04060	7.0
181.12297	2.1
183.10307	3.6
190.02823	0.8
191.03529	0.9
193.12393	4.2
195.05147	0.7
199.13402	2.0
203.03377	0.7
211.13394	8.4
212.13811	0.8
227.12831	0.6
229.14462	100.0
230.14854	6.9
268.03693	2.1
269.04669	1.5
285.02005	0.7
296.07352	0.6
349.54099	0.7
361.09348	0.8
361.15332	15.0
361.21964	3.0
362.09592	1.1
362.15833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1658
Annotation	Sauriol A
Peak:m/z	Relative Intensity
57.03444	0.3
59.01379	2.8
64.51781	0.2
69.09505	0.6
69.09917	1.0
71.01397	0.9
73.02946	0.5
81.03474	0.3
83.01414	0.3
83.05043	0.3
85.02958	0.7
87.00874	0.3
87.26926	0.2
89.02445	0.7
93.03459	3.2
101.02455	1.0
107.05095	0.3
108.02211	0.9
109.02963	9.5
109.09077	0.3
111.00809	0.3
111.04533	0.5
112.98840	0.5
113.02460	0.5
119.05026	0.9
121.02968	29.2
122.03764	27.5
123.04597	3.3
124.01691	0.9
129.03467	1.4
129.09216	0.4
133.02985	0.7
134.03740	1.1
135.04544	3.7
136.01701	0.4
136.05327	2.0
137.02486	2.1
137.06010	0.3
138.03221	0.3
139.04022	0.7
146.03796	1.5
147.04544	11.3
148.05344	1.4
149.06108	2.7
150.03191	0.4
151.04025	0.3
153.09232	0.4
154.02719	1.1
155.10849	0.5
159.04512	0.5
160.05305	0.7
161.04716	0.5
161.06085	4.5
162.06822	1.0
163.04057	0.6
164.04811	1.1
164.07167	0.3
165.05586	36.5
166.05922	1.9
171.10141	0.3
173.06140	0.5
174.06708	0.3
175.07610	0.6
176.08493	0.6
177.02036	0.3
177.05605	0.4
178.06396	1.1
179.07150	13.8
180.07486	0.9
181.08749	0.3
191.07118	0.9
193.08705	0.6
199.09818	1.4
205.08917	0.3
209.08368	1.3
211.13428	0.5
213.09225	0.5
223.09756	1.7
229.14484	2.4
255.13846	0.3
271.09976	0.3
283.09995	0.3
284.03302	0.3
285.04105	0.9
285.11380	0.5
298.11996	1.4
301.10806	0.7
313.14404	1.4
315.12329	3.6
316.13132	1.4
331.15591	0.5
343.15598	0.6
345.13483	0.4
346.14218	10.4
347.14511	1.1
361.16589	100.0
362.16943	11.5
362.20615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1657
Annotation	Macrocalyxin E
Peak:m/z	Relative Intensity
91.54324	0.5
104.02683	0.5
105.71526	0.5
107.05025	1.2
109.85513	0.6
111.85116	0.5
118.04256	0.8
133.02960	1.0
145.02943	2.3
148.01711	1.0
155.08647	1.4
160.38249	0.5
161.02464	2.9
162.03212	1.4
164.35178	0.5
171.08134	2.5
173.06171	0.7
181.34882	0.5
187.07620	3.1
189.01935	5.7
190.02757	7.9
199.07646	5.1
201.01938	2.6
201.05435	1.1
203.03549	2.5
204.04205	0.9
213.09131	0.6
215.07123	1.8
222.01701	1.0
226.06409	0.5
229.05188	0.9
230.05756	0.6
243.06618	91.9
244.07097	11.0
245.07573	0.7
257.08255	4.1
259.09775	0.7
287.09253	19.3
288.09619	1.6
329.13913	1.9
345.13400	0.8
346.14218	36.9
347.14429	3.7
361.16565	100.0
362.16946	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	361.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01503	0.5
59.01358	2.4
104.02640	0.6
107.05016	1.4
114.40478	0.5
118.04239	1.4
132.02164	0.5
132.52278	0.5
133.02946	2.4
138.14398	0.5
145.02943	2.8
147.04578	1.1
148.01691	1.0
149.00905	1.7
150.55930	0.5
151.04054	0.5
155.08638	0.9
155.10750	1.1
161.02451	1.9
162.03223	2.2
170.38116	0.6
171.08200	3.1
173.06055	1.0
176.01109	1.2
177.01787	1.3
187.07594	2.4
189.01944	7.7
190.02733	9.2
191.03394	1.9
191.05005	0.6
199.07675	4.7
199.09767	1.4
200.07903	0.5
201.01987	2.8
201.05582	1.5
203.03551	2.9
205.01443	1.9
213.09279	0.9
215.07111	2.5
222.01700	2.1
225.05597	1.1
228.04315	0.6
229.04999	1.5
230.05893	1.1
239.07133	0.6
243.06639	86.9
244.07103	9.0
257.08282	4.5
259.09692	1.0
273.07657	1.6
273.15088	0.8
287.09265	15.6
288.09720	1.6
319.20956	1.3
329.14084	1.3
331.11951	2.3
345.13370	1.0
346.14230	32.1
347.14725	4.3
361.12991	7.4
361.16629	100.0
361.21954	4.0
362.13232	1.0
362.16956	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	361.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.4
69.91380	0.4
70.44559	0.4
71.01373	1.3
85.02933	0.6
89.02416	0.4
90.46060	0.3
93.03461	3.5
101.02446	0.9
106.07816	0.4
107.05037	0.4
108.02167	1.0
109.02959	8.5
110.03285	0.5
114.31696	0.5
119.05033	0.9
121.02967	32.9
122.03765	30.2
123.04594	3.4
124.01629	1.1
124.04919	0.4
129.03448	1.8
133.02956	1.7
134.03728	1.5
135.04556	3.4
136.05322	2.7
137.02443	1.8
146.03754	1.3
147.04541	12.1
148.05238	1.5
149.06107	2.9
154.02704	1.7
155.10840	0.4
159.04504	1.0
160.05237	1.0
161.06075	4.3
162.06799	0.8
163.03909	0.6
164.04782	1.1
165.05583	36.5
166.05894	1.9
173.06117	0.8
175.07607	1.3
176.08369	0.5
177.02068	0.5
178.02725	1.0
178.06339	1.9
179.07150	13.2
180.07716	1.4
183.02715	0.4
191.07188	0.5
199.09695	0.7
199.13362	1.0
209.08128	0.9
223.09776	1.3
298.11990	1.5
313.14474	1.1
315.12405	4.1
316.12988	0.9
331.15393	1.0
343.15500	0.5
346.14249	12.0
347.14456	1.6
361.16519	100.0
362.16913	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	361.1659
Annotation	Sculponin L
Peak:m/z	Relative Intensity
50.47909	1.1
50.99209	1.2
55.68761	1.2
59.01372	4.9
71.41121	1.3
81.01898	1.1
83.05025	1.2
83.16051	1.1
85.02148	1.0
85.31728	1.1
87.00874	3.9
105.03429	1.3
109.02956	1.8
118.04256	1.5
119.05055	1.4
121.02968	5.7
122.03717	1.9
123.04536	1.6
125.02428	2.0
126.07541	1.0
131.77632	1.0
134.03777	1.6
135.04562	9.0
136.05261	1.4
137.02405	3.1
145.02899	1.4
147.04562	5.6
149.02446	8.6
149.06064	1.3
150.03174	1.1
162.03210	4.0
163.04019	9.6
164.04762	3.3
166.06398	1.3
167.14433	16.8
168.14740	1.6
175.03995	7.7
175.07666	1.6
176.01187	1.3
177.01952	1.6
177.05507	2.0
184.36559	1.0
187.07555	1.6
189.01935	3.0
189.09250	9.5
190.02753	5.6
191.03554	5.5
199.07764	1.4
201.05685	1.5
202.98836	2.1
203.03506	6.3
203.07126	2.6
203.10701	1.8
204.04012	1.3
206.02242	1.3
211.13425	25.9
212.13707	1.7
215.07159	13.2
216.07841	3.9
217.00293	1.6
217.08720	37.7
218.09106	2.8
219.10242	1.2
220.99138	2.1
229.14474	100.0
230.14746	7.7
231.10265	3.9
243.06659	7.8
244.07362	1.9
245.04552	2.5
257.15540	1.4
259.06174	2.3
259.09790	1.2
266.69421	1.1
274.12158	15.3
285.15036	5.3
287.12958	1.3
289.14441	4.9
302.11789	3.5
302.15213	27.7
303.15717	2.4
317.13916	5.7
317.17560	46.3
318.17850	6.5
329.06024	1.2
329.10281	2.3
341.39804	1.1
343.11887	1.8
346.13925	1.6
361.12579	21.8
361.16589	39.6
362.12991	2.0
362.16843	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	361.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.8
68.06090	5.3
69.92542	4.3
75.68258	4.1
76.16684	4.4
87.16030	4.5
88.47938	4.5
91.68593	5.1
121.10252	22.5
135.21596	4.5
135.86664	5.2
146.19324	5.3
151.29616	5.2
160.97771	5.1
171.10281	60.6
202.98944	6.1
204.17725	5.4
207.99542	4.6
275.20157	100.0
276.20456	7.6
293.21252	67.6
294.21515	6.4
315.19440	25.5
354.71799	6.9
361.20135	37.0
362.19589	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	361.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23967	1.2
52.96277	1.2
59.01388	21.2
62.78547	1.2
69.69190	4.4
77.79323	1.4
98.22680	1.4
100.78890	1.1
107.52659	1.2
111.70554	1.2
141.37225	1.1
164.60550	1.2
188.17026	1.4
279.23318	100.0
280.23666	10.1
293.66797	1.6
304.21298	1.3
361.15433	5.8
361.23611	17.3
362.23935	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	362.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09763	16.9
69.18491	3.2
98.22720	6.3
139.27383	3.1
181.12332	3.4
183.13916	5.6
203.10600	3.7
213.48840	3.3
221.11710	5.2
223.13156	96.9
224.13547	8.1
233.95186	2.8
237.11081	9.0
237.26479	3.1
248.11496	7.2
259.69656	3.0
264.10898	4.4
266.12521	6.9
267.12131	39.6
268.12354	3.8
297.24457	6.0
319.22549	33.7
362.23074	100.0
363.22284	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	363.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	35.8
95.36198	18.8
151.79478	18.9
243.06677	100.0
289.52618	17.8
295.22681	29.3
312.13727	62.8
327.15900	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1454
Annotation	[3S-(3R*,8R*,9R*,11E)]-3,4,5,6,9,10-Hexahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione
Peak:m/z	Relative Intensity
52.73542	0.3
53.36351	0.3
56.06438	0.4
59.01384	1.8
67.23858	0.4
69.18735	2.4
71.01393	0.9
73.02955	1.8
81.03468	0.6
83.01398	3.1
85.02914	0.5
93.38542	0.4
97.02956	0.6
99.00884	0.6
99.38462	0.4
109.02967	0.4
111.00897	0.6
114.56382	0.4
118.04273	5.5
122.03759	0.8
123.04529	0.6
124.01582	0.5
125.02451	0.9
129.53194	0.4
132.02193	1.4
134.03749	1.1
137.02466	0.6
139.11288	0.5
141.09274	0.7
147.04556	0.5
150.03278	0.8
151.03992	0.5
152.48380	0.4
161.02420	0.9
162.03258	6.4
163.03665	0.9
173.02475	0.5
176.01170	0.6
185.06140	1.4
189.01872	0.5
190.02736	21.2
190.77620	0.4
191.03185	1.4
199.07655	1.5
203.03436	0.8
215.10893	0.6
222.01726	3.4
229.05135	3.7
230.05850	3.5
243.06607	1.3
259.09927	1.0
259.12650	0.4
268.93198	0.5
273.15213	0.7
279.12491	1.9
287.09372	0.6
289.10852	0.6
315.12436	0.7
319.15439	1.1
331.11884	0.7
333.13358	0.8
335.14893	0.5
345.13513	1.8
363.14520	100.0
364.10364	0.7
364.14886	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	363.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96259	1.5
58.39272	1.4
59.37334	1.6
61.98825	2.5
71.41666	1.7
80.97461	1.4
86.87587	1.5
105.11879	1.5
109.02961	18.9
111.07040	1.6
112.10954	1.3
114.20897	1.4
121.02981	3.6
123.00913	11.6
136.01630	5.4
137.02457	64.5
149.02477	11.6
149.06023	1.6
150.03119	1.8
159.04489	1.9
165.01918	6.4
177.01956	5.9
177.05594	24.9
179.03653	1.6
190.02853	1.8
191.03484	2.6
203.03477	2.4
205.05011	9.9
208.17476	1.5
217.08702	4.1
229.72363	1.8
245.08110	5.9
260.14297	2.0
276.13690	100.0
277.14114	11.9
287.12875	2.4
289.11234	2.1
289.14374	3.7
291.16028	36.1
292.16379	4.7
304.13266	12.3
319.15497	26.0
363.14200	21.6
364.14899	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1455
Annotation	6alpha-Hydroxyeurycomalactone
Peak:m/z	Relative Intensity
54.88735	1.9
57.03444	4.0
59.01374	7.4
67.01879	3.0
69.03445	3.0
70.13448	4.3
70.13774	2.9
70.98965	2.4
71.01377	2.9
72.99287	4.1
73.02927	3.8
81.03455	6.3
82.51661	2.1
83.01388	21.6
87.00937	3.1
95.01409	4.4
97.02954	9.0
98.21989	2.7
99.00877	3.5
101.02412	3.5
107.01414	2.3
108.02161	7.7
109.02978	3.6
111.00897	10.1
112.01644	4.6
121.02969	4.6
122.03780	5.2
123.00897	2.8
123.04530	3.8
124.01665	5.0
125.02476	17.3
125.99588	5.1
134.03741	2.9
135.04535	3.6
136.01653	9.3
137.02522	9.9
138.03207	11.0
144.00697	2.6
148.01653	2.9
150.03246	2.6
152.01129	3.7
152.04785	3.0
161.09624	2.3
162.03244	3.7
164.04852	3.1
166.02734	4.4
181.01427	3.5
190.02762	3.7
190.06418	3.4
191.03479	6.7
195.03029	3.3
203.03600	10.0
251.12877	6.9
253.14427	3.4
275.16364	4.2
279.12360	22.0
289.14478	4.0
301.14505	5.0
319.15396	4.7
331.04623	2.1
333.13412	9.6
335.15164	3.2
345.13492	10.1
363.14456	100.0
364.14813	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03460	1.0
59.01382	100.0
60.01717	1.3
67.36939	1.0
69.03456	1.2
69.50562	2.8
71.01389	35.9
73.02951	72.5
74.03271	1.3
75.00893	1.2
83.01392	13.4
85.02965	7.7
87.00899	1.8
89.02451	21.5
95.01412	1.8
98.54983	1.1
99.00879	1.5
99.04542	1.6
101.02449	48.2
102.02821	1.5
107.44596	1.0
108.02225	1.5
111.04511	2.6
113.02462	14.0
113.09722	2.0
119.03519	7.7
122.82372	1.0
125.02451	2.5
129.10367	1.3
131.03516	2.2
135.04514	1.4
137.02440	1.2
141.09241	24.3
142.09570	1.2
147.04535	2.1
150.03081	1.4
155.03450	1.5
155.10837	1.3
159.10269	7.5
161.04536	4.4
167.03502	1.2
191.03447	2.3
192.13058	1.0
276.89032	1.2
303.14560	10.1
309.01334	1.1
319.15363	1.8
321.15561	36.2
322.15918	4.8
335.17218	1.3
363.16867	68.7
363.24002	4.0
364.16907	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	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
57.03449	3.3
59.01381	100.0
69.25462	5.2
69.25867	2.6
71.01382	57.2
72.99316	3.8
73.02946	11.0
77.69081	1.3
79.33808	1.2
82.02953	1.3
83.01387	7.2
83.42603	1.1
84.80688	1.3
85.02955	19.2
87.00871	2.1
89.02449	42.8
95.01405	4.4
97.02955	1.8
99.00894	4.4
101.02447	46.1
113.02470	25.6
119.03515	18.2
121.10236	3.1
131.03500	2.8
135.04587	1.5
137.13609	1.3
143.03479	2.6
146.15057	1.4
159.03003	4.1
161.04579	20.8
162.04771	1.7
179.05667	1.8
183.10258	27.2
184.10442	1.7
201.11334	6.0
201.14529	1.5
259.47055	1.2
263.12827	1.4
287.10294	2.2
319.17676	12.6
363.16638	81.0
364.17023	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	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03448	3.7
58.78108	0.8
59.01384	100.0
71.01388	35.6
72.99313	2.1
73.02956	7.7
82.02989	1.8
83.01405	3.9
85.02954	10.6
87.00901	2.0
89.02453	29.7
95.01392	3.3
99.00900	1.5
101.02451	25.7
113.02460	14.0
119.03516	12.9
123.83765	1.0
136.04039	1.7
143.03514	1.7
145.02979	6.7
149.00893	0.8
149.04550	1.3
161.04587	4.7
164.03648	2.1
173.01086	0.9
179.05629	2.7
183.10263	8.9
194.04601	1.7
196.06300	1.5
201.11366	6.8
237.17061	1.0
287.10516	5.8
331.09253	2.1
363.16614	76.4
364.16974	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.38548	0.7
56.37091	0.5
57.03455	2.9
59.01385	28.9
61.98790	0.7
71.01392	14.0
71.43716	0.6
72.99317	12.8
73.02950	4.5
83.01380	3.6
85.02956	6.0
86.00150	1.0
87.00878	1.3
89.02449	8.2
95.01388	1.4
97.02938	0.8
99.00912	1.4
101.02450	13.4
108.02163	1.4
113.02471	5.4
114.50349	0.5
119.03500	3.7
121.10227	0.9
122.03735	1.2
123.04541	1.1
130.26114	0.7
134.03780	1.2
139.11301	1.8
146.03769	1.4
149.02374	0.8
149.06058	1.5
150.03220	3.7
151.03963	0.6
152.01149	1.7
155.10823	0.9
161.04619	1.4
164.04793	1.3
165.05583	5.0
166.06326	0.9
167.03526	1.4
167.05841	0.7
167.07161	7.2
179.05692	1.1
179.07138	3.0
183.10257	6.9
195.06648	1.5
201.11337	3.0
202.62338	0.5
245.77386	0.6
345.15567	2.0
363.16611	100.0
364.16943	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19890	0.5
55.01871	1.0
57.03441	2.0
58.00596	0.5
59.01385	40.6
60.01707	0.7
62.59051	0.4
69.17895	3.1
71.01387	19.0
71.05017	0.4
71.09306	0.4
72.99314	0.6
73.02963	2.4
75.00867	1.3
80.02710	0.8
83.01393	2.3
83.44955	0.5
84.02168	4.1
85.02953	8.5
87.00893	2.3
89.02454	13.1
93.96333	0.4
95.01389	1.3
95.10747	0.4
97.06586	1.1
99.00906	0.6
101.02454	11.4
113.02459	5.8
113.09728	2.9
119.03491	5.0
127.11330	2.4
137.09737	10.1
139.11310	8.5
140.11670	0.7
153.58350	0.6
155.09558	0.9
155.10800	15.4
156.11137	0.9
157.12283	0.6
161.04587	0.6
166.15282	0.5
167.10739	0.7
183.10278	9.4
200.46272	0.5
201.11343	46.5
202.11684	2.6
225.11317	0.5
225.53101	0.5
243.12437	1.5
268.24573	0.4
272.42117	0.5
297.39316	0.5
330.51483	0.4
341.73187	0.5
363.16623	100.0
364.16962	8.9
370.20557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35976	1.0
57.03446	0.9
58.57644	1.0
59.01386	100.0
69.03455	1.9
71.01392	21.8
73.02955	58.6
75.00887	3.0
83.01393	11.6
85.02975	3.6
89.02446	7.5
101.02457	32.5
105.01958	4.1
113.02454	9.5
117.01191	1.0
119.03540	2.2
127.75139	1.1
131.03529	3.5
135.04529	1.2
139.11313	4.8
141.09241	33.4
142.09593	1.7
143.03494	1.2
149.04587	2.3
150.55530	1.2
154.50839	1.1
155.03522	1.1
161.04590	6.5
164.50974	1.3
171.91795	1.1
183.10309	1.9
187.07697	5.4
201.05591	1.2
201.11316	15.9
215.13075	1.0
231.10249	1.9
240.71536	1.1
257.08276	2.8
275.09164	4.9
302.71887	1.1
363.16354	1.8
363.24069	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	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03466	1.3
59.01387	47.2
69.34473	4.0
71.01392	19.6
71.05019	1.0
72.99315	5.8
73.02944	2.6
83.01425	1.8
84.44439	0.8
85.02953	4.2
87.00896	1.6
89.02453	20.6
95.01401	1.5
98.21884	1.4
101.02454	11.0
103.13698	0.7
107.08656	1.9
109.10207	2.0
112.38166	0.7
113.02444	6.2
119.03521	7.2
121.10278	1.0
131.03487	0.7
138.05641	1.5
139.11290	2.1
143.05759	0.8
150.03195	1.0
161.23782	0.8
165.05600	2.9
179.05609	0.8
183.10278	44.5
184.10658	3.3
201.11348	13.8
225.75677	1.0
257.12939	3.8
282.18286	1.1
315.08673	1.5
345.15689	1.0
363.16635	100.0
364.16965	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33462	1.0
55.38085	1.1
59.01387	100.0
61.98853	1.2
71.01384	1.8
73.97199	1.0
85.02981	0.9
89.02446	1.4
90.82883	1.1
101.02466	2.5
103.02422	1.2
103.33080	1.0
113.02438	2.6
141.09235	40.9
142.09518	1.3
155.10808	2.1
162.71169	1.0
173.42821	1.2
363.17950	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95736	1.9
69.49915	3.8
69.50311	4.3
70.26261	1.8
82.03665	1.8
88.98619	2.7
96.96020	3.2
98.21929	3.9
133.96112	2.1
155.10748	2.5
165.02477	2.0
171.10268	17.5
183.10246	19.1
277.21747	22.4
295.22797	100.0
296.23010	12.5
298.93472	2.1
317.20963	21.9
363.21680	24.7
364.21130	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	363.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
76.64626	100.0
77.79429	88.9
97.95079	76.8
124.09089	79.4
133.14111	71.7
275.16623	83.7
339.99982	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45846	4.2
59.01388	23.8
61.98830	17.5
69.03452	6.1
69.09766	8.4
69.10153	24.4
71.01385	58.1
73.02947	18.9
83.01360	4.2
85.02962	19.5
89.02448	12.2
91.13194	4.3
95.01379	6.1
96.96958	9.9
101.02441	33.5
102.03510	11.9
107.24274	4.3
113.02491	24.7
121.02988	46.9
130.02983	28.0
132.04599	17.1
133.01720	4.8
146.02507	18.8
148.04065	100.0
156.04575	5.7
158.42509	4.4
159.03012	12.5
159.04436	5.2
161.04561	83.9
166.05147	7.0
177.05595	10.7
205.05075	9.6
234.69679	4.2
292.08279	87.2
293.08600	10.3
364.08136	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	364.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34706	3.8
59.01379	24.6
60.97112	3.4
61.98836	100.0
71.01377	18.1
78.95953	6.3
85.02882	4.0
89.02455	10.2
96.96964	9.2
101.02428	11.5
103.97337	4.2
113.02489	9.8
121.02981	10.8
130.02933	5.3
148.04047	15.3
161.04547	23.5
168.66426	3.7
202.06323	15.3
292.08221	8.2
314.45944	3.9
377.38223	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	364.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	1.3
60.99308	3.8
61.98833	1.3
69.27366	7.4
72.00904	2.2
72.04552	3.9
74.02480	100.0
75.02817	2.2
76.06876	1.1
82.08343	1.2
84.04563	3.1
94.47381	1.1
97.14212	1.1
97.31963	1.1
98.07597	1.1
98.21870	2.8
104.03555	22.4
104.61961	1.3
116.92934	1.2
117.99900	1.3
259.20660	2.2
280.20016	2.8
290.25040	3.8
302.24905	13.0
303.25369	1.7
316.22824	12.8
317.22958	1.5
334.23907	52.7
335.24329	4.9
360.90375	1.4
364.25021	58.7
365.25558	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	365.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.9
57.03432	3.9
58.86441	3.5
59.01385	90.7
70.82821	3.7
71.01386	63.3
73.02957	4.7
75.00873	15.4
77.91244	4.0
81.03509	3.4
83.01418	5.4
83.05024	20.5
84.24983	3.1
85.02951	19.0
87.00888	14.2
88.04049	4.4
89.02449	100.0
93.03457	31.5
95.01407	5.9
95.05042	6.7
96.81682	3.0
97.02959	3.7
98.22624	3.1
99.04520	7.1
101.02465	31.5
109.02951	8.5
111.00910	7.3
111.04526	41.2
113.02457	32.1
115.04045	6.0
119.03484	22.9
123.04561	17.5
127.23917	3.4
130.08740	4.6
131.03510	14.3
137.02487	17.8
141.05582	11.7
155.02196	3.0
155.03467	8.6
160.04050	7.8
161.04530	11.1
167.03503	10.9
179.05602	7.6
199.07655	3.7
237.31625	3.5
275.07724	11.0
293.08908	36.3
317.08850	34.5
347.09781	5.2
365.26392	3.4
381.82443	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	365.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20220	1.3
55.01889	2.6
57.03448	4.9
57.13720	1.3
58.00610	1.9
59.01385	100.0
65.03978	2.3
67.01891	2.6
69.03468	8.2
70.25077	2.2
71.01391	64.2
72.01742	1.6
72.99326	1.8
73.02955	10.2
74.92146	1.2
75.00873	19.9
75.06330	1.1
75.18606	1.5
78.15741	1.2
79.24496	1.1
81.03450	3.0
83.01408	5.0
83.05032	20.8
85.02967	20.1
87.00902	8.8
87.04538	2.3
89.02452	47.7
93.03469	38.6
94.03831	1.6
95.01405	4.7
95.05040	4.5
97.02966	4.4
97.06631	1.8
98.22630	1.5
99.00908	3.6
99.04526	4.3
101.02457	36.9
104.19187	1.4
108.02218	2.2
109.02966	9.4
111.00877	6.3
111.04536	53.1
112.01693	3.3
112.04862	2.6
113.02460	42.8
113.06117	2.1
113.23505	1.4
118.47061	1.3
119.03520	21.7
123.04530	18.2
125.02444	4.1
127.04008	3.8
129.01942	3.0
131.03531	14.6
133.05144	1.9
137.02472	20.1
139.04047	1.5
141.05598	11.3
143.03551	2.8
149.04683	1.3
152.22507	1.1
154.02782	1.2
155.03529	9.8
160.04085	2.8
161.04605	8.3
165.10696	1.4
166.02701	1.6
167.03526	15.1
172.09358	1.2
173.04601	3.7
179.05646	4.6
185.04593	6.5
275.07773	17.0
293.08820	51.8
294.09088	4.2
317.08789	47.0
318.09158	4.2
329.08820	4.3
347.09869	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06553	1.1
58.35005	1.0
59.01387	11.0
63.84426	1.0
64.53024	1.0
67.85212	1.0
70.60966	1.1
70.61330	2.2
71.01383	6.4
72.57516	1.2
72.99293	2.6
74.91125	0.9
83.05034	1.7
84.01382	1.5
85.02963	2.3
87.00883	3.7
88.04044	2.8
89.02451	100.0
93.03461	3.1
101.02427	2.8
111.04531	3.3
113.02469	3.2
119.03534	2.0
119.96137	1.0
123.04488	1.1
125.38784	1.1
137.02487	2.0
142.52985	1.2
155.03401	1.3
160.04095	1.9
167.03488	1.3
233.01656	1.7
278.65363	1.2
293.08875	2.6
317.08737	2.4
337.34381	1.2
354.23944	1.1
366.10825	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	365.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06553	1.1
58.35005	1.0
59.01387	11.0
63.84426	1.0
64.53024	1.0
67.85212	1.0
70.60966	1.1
70.61330	2.2
71.01383	6.4
72.57516	1.2
72.99293	2.6
74.91125	0.9
83.05034	1.7
84.01382	1.5
85.02963	2.3
87.00883	3.7
88.04044	2.8
89.02451	100.0
93.03461	3.1
101.02427	2.8
111.04531	3.3
113.02469	3.2
119.03534	2.0
119.96137	1.0
123.04488	1.1
125.38784	1.1
137.02487	2.0
142.52985	1.2
155.03401	1.3
160.04095	1.9
167.03488	1.3
233.01656	1.7
278.65363	1.2
293.08875	2.6
317.08737	2.4
337.34381	1.2
354.23944	1.1
366.10825	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	365.1142
Annotation	N,N-Didesmethylgrossularine 1
Peak:m/z	Relative Intensity
51.63622	1.9
61.07239	1.5
61.98829	4.8
63.54615	1.6
65.06393	1.8
70.42558	2.6
70.42902	3.4
75.38073	1.9
79.71748	1.7
82.60214	1.9
90.44247	1.8
91.45088	1.6
95.94379	1.9
96.96015	2.0
104.96686	1.7
114.13126	2.0
116.05082	2.9
157.05305	3.5
158.06140	3.2
202.05174	2.5
216.08189	10.1
218.09796	2.6
228.08214	1.9
234.09311	2.0
244.07726	6.7
246.09274	16.4
251.17339	1.8
254.47466	1.8
260.07181	100.0
261.07535	10.2
261.09982	2.3
268.07050	2.5
278.11926	3.0
289.07480	44.0
290.07526	3.8
304.09723	5.1
307.29160	1.9
348.08725	20.6
349.09015	4.0
365.11432	76.3
366.11691	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.3
57.03468	3.4
59.01385	100.0
61.70184	1.8
69.25497	6.4
69.25907	4.7
71.01390	73.4
73.02961	11.8
83.01398	5.7
85.02956	19.0
87.00881	5.9
87.04510	5.9
89.02454	58.7
95.01399	4.0
97.06602	6.1
98.21931	3.3
99.00892	3.3
101.02451	53.5
101.03118	3.8
109.06593	4.7
113.01713	2.7
113.02467	32.4
119.03513	27.9
125.02438	1.9
131.03522	6.7
142.96635	2.3
143.03488	7.4
144.87122	1.8
159.03024	6.1
161.04594	25.0
167.10797	2.5
179.05620	6.6
186.65816	2.0
194.45183	1.7
203.12930	4.0
221.06683	4.1
277.12936	6.6
305.12381	2.6
347.17032	2.1
365.18250	29.3
366.18268	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46821	0.7
55.01878	2.7
57.03447	1.7
58.00592	1.6
59.01383	100.0
60.01711	1.3
60.67345	0.7
61.98833	2.0
70.52740	0.9
70.53085	1.0
71.01387	61.0
72.01722	1.0
72.99312	1.7
73.02949	15.5
81.03479	0.9
83.01386	5.1
85.02959	17.2
87.00871	3.2
89.02451	62.5
90.02762	1.4
90.68709	0.8
95.01401	6.5
99.00904	3.1
100.01648	0.8
100.33308	0.8
101.02454	40.4
102.02801	1.3
102.75168	0.7
103.04062	1.3
111.17242	0.7
113.02456	25.4
113.80125	0.7
114.02809	0.9
119.02653	1.6
119.03510	25.6
125.02464	1.3
131.03542	2.6
132.04512	0.9
135.04483	1.0
136.04054	1.4
137.09734	0.9
143.03508	5.3
149.04588	2.2
155.83203	0.8
159.02997	2.7
161.04576	15.7
161.05916	1.6
179.03430	0.7
179.03986	1.1
179.05609	13.5
197.81793	0.9
202.06435	1.1
203.03293	8.6
203.12871	13.5
204.13234	0.8
224.79710	0.8
266.03513	0.9
288.72897	0.8
365.14053	1.2
365.18170	30.1
366.18463	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
56.45201	0.8
57.03462	0.7
59.01387	100.0
60.01715	1.3
70.71901	1.2
71.01395	12.5
71.37228	0.7
73.02966	3.0
75.03600	0.7
78.08853	0.7
83.01400	1.0
85.02967	5.9
88.35883	0.6
89.02458	8.9
90.72889	0.8
96.75278	0.7
99.00915	0.9
101.02461	7.5
113.02433	4.2
116.05091	4.7
119.03516	5.3
128.10826	0.7
139.72331	0.7
159.03027	0.9
161.04568	5.1
179.05672	1.7
185.11864	0.9
203.07277	1.1
203.12967	2.7
305.16287	1.5
318.75250	0.8
365.13733	0.6
365.18176	14.0
366.15515	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	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81221	0.5
53.16959	0.4
55.01888	0.8
57.03453	0.8
59.01387	42.7
62.05507	0.5
68.70118	0.4
69.38923	2.5
70.63509	0.6
71.01390	17.3
72.99315	0.7
73.02958	3.2
83.01408	2.8
83.01826	0.5
85.02962	4.4
87.00884	1.6
89.01940	1.0
89.02459	15.1
95.01397	2.1
98.22567	0.7
99.00893	1.1
99.08195	0.6
101.02455	12.8
101.61185	0.5
111.00878	0.6
113.02470	6.5
119.03497	4.4
127.11297	2.8
132.43031	0.5
143.03535	0.5
155.10800	2.0
157.12360	15.5
158.12674	0.6
161.04570	1.3
171.13918	1.0
173.06027	0.7
179.05611	0.8
185.11838	2.3
187.13391	1.0
199.13371	1.5
201.11221	0.6
203.12906	42.6
204.13206	1.7
245.13901	0.9
281.23312	0.6
347.17255	0.6
365.18185	100.0
366.18488	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03446	1.4
59.01386	40.4
60.01743	0.7
61.98840	1.1
62.30598	0.5
64.20644	0.5
64.70445	0.5
71.01387	20.6
71.41835	0.8
72.99305	1.0
73.02961	3.2
83.01392	1.7
85.02959	11.8
87.00890	1.2
89.02455	16.0
89.83957	0.6
95.01369	1.8
96.96025	0.7
99.08156	4.3
101.01801	1.1
101.02451	14.0
113.02467	5.8
117.44034	0.6
119.03550	5.0
125.00556	0.6
127.11322	3.6
128.54233	0.6
134.03647	0.9
139.11305	4.1
155.10837	0.9
157.12350	17.4
158.12788	0.8
158.62053	0.7
167.10834	0.9
179.05511	0.7
185.11861	18.1
186.12212	0.8
187.13394	0.9
203.12898	36.3
204.13257	1.6
245.13898	0.6
249.80466	0.6
270.07693	1.3
305.12411	0.8
351.72968	0.7
365.18176	100.0
366.18509	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73842	0.4
55.01859	0.8
57.03446	1.3
59.01385	35.4
61.46801	0.5
61.98818	1.0
63.84573	0.5
68.65419	0.4
69.26173	2.9
69.27058	0.5
71.01389	18.6
72.99294	0.8
73.02963	2.3
79.88839	0.4
83.01395	1.4
85.02956	11.8
87.00903	1.5
89.02448	13.8
95.01392	1.5
99.00895	0.7
99.08161	3.0
101.02448	10.9
102.02769	0.6
113.02454	5.5
119.03503	5.6
120.55678	0.4
121.02868	0.5
127.11300	3.9
134.02490	0.5
139.11284	3.2
155.10793	1.3
157.12350	13.7
161.04607	1.0
170.29359	0.5
179.05583	0.5
185.11844	15.1
186.12254	0.7
203.12889	33.2
204.13225	1.7
223.68140	0.5
252.06662	0.8
270.07764	0.7
290.24677	0.5
305.12592	1.0
332.65707	0.5
361.64877	0.5
365.18167	100.0
366.18515	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	365.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84228	1.0
59.01374	4.5
60.28318	1.0
61.98822	2.5
69.08466	1.0
70.11295	1.2
105.01961	6.2
116.92860	1.3
120.55611	1.1
148.23894	1.2
150.07001	1.0
205.12187	1.2
206.16440	1.1
220.14740	2.6
220.27626	1.0
277.21750	100.0
278.22134	10.3
365.27060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30338	0.4
59.01380	1.1
70.23255	0.5
70.35223	0.7
70.35554	0.8
85.77301	0.5
87.00860	1.4
105.01937	5.6
123.97670	0.5
149.94872	0.6
217.20946	0.5
275.20129	0.5
277.21741	100.0
278.22113	11.4
312.85095	0.5
365.27048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98863	47.5
64.87964	43.5
71.36817	45.9
81.14700	42.9
88.94378	41.0
98.22643	100.0
153.63245	45.8
196.25668	48.8
230.63187	61.3
331.22751	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2699
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
58.21582	0.9
61.98825	3.5
63.46655	1.1
71.42912	1.6
73.69185	1.1
85.44228	1.1
87.00898	1.5
105.01930	3.1
155.14420	1.5
158.63461	1.2
163.11290	2.0
165.12854	1.8
172.56744	1.2
181.12305	2.1
199.13397	29.1
228.80974	1.2
258.29065	1.3
277.21774	3.6
328.46637	1.4
347.25903	3.9
365.26974	100.0
366.27402	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	365.2698
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
69.22140	4.4
72.07830	0.9
82.43416	0.6
83.05016	0.9
85.06597	2.7
91.68210	0.7
99.54936	0.7
102.83483	0.7
118.94971	0.8
120.70391	0.7
122.38237	0.7
199.13353	2.1
251.19986	0.8
261.18665	1.2
279.19684	16.6
280.20010	1.2
305.86209	1.1
327.88657	0.8
347.26074	6.0
363.25131	1.2
365.26965	100.0
366.27335	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29913	24.6
54.16493	21.7
55.82431	22.4
61.98839	28.1
66.99699	22.4
69.65721	100.0
77.03454	23.7
95.70922	30.7
106.23064	26.5
167.31448	26.3
250.51793	26.1
263.47937	27.4
277.21719	29.0
277.94006	26.3
359.47574	29.1
365.27054	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0622
Annotation	Ekatetron
Peak:m/z	Relative Intensity
58.00084	0.6
59.01397	1.3
63.72419	0.5
69.31917	1.2
69.32301	1.6
87.00920	0.8
104.02702	1.9
105.03492	1.2
119.05034	0.7
131.03796	1.7
133.02989	2.4
148.01683	1.9
148.04091	2.3
149.02483	0.7
149.04408	0.7
170.02437	1.1
176.01149	5.9
177.01952	18.9
178.02417	0.7
188.03519	0.6
189.04350	4.5
190.05122	4.7
190.88904	0.6
202.05081	1.7
205.08788	1.1
209.04802	0.9
215.13196	0.5
216.03102	1.1
221.04868	1.2
226.05156	0.8
229.03822	6.1
230.04414	1.6
233.04579	0.7
234.05592	1.0
236.03574	5.2
237.04248	1.9
238.04945	0.8
252.06677	2.6
257.03424	1.1
265.03818	7.4
266.04276	1.2
266.08215	1.0
268.06140	2.5
270.07684	3.7
280.06131	2.3
292.06168	1.5
294.07727	1.8
295.04965	5.5
296.05600	5.8
306.04144	1.5
310.07172	0.7
320.05624	1.6
322.07175	1.0
324.05151	24.5
325.05493	2.7
338.06610	0.9
348.05157	2.4
366.06207	100.0
367.06586	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	366.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79392	0.2
59.01382	1.2
66.45634	0.2
68.27244	0.2
69.06944	0.6
69.07355	0.9
71.01369	0.5
73.08430	0.2
83.89597	0.2
89.02444	0.5
95.27563	0.2
96.81713	0.2
101.02417	0.2
103.59632	0.2
116.05069	3.7
117.86179	0.2
125.02647	0.2
132.04628	0.3
159.03183	0.4
160.04057	100.0
161.04396	4.9
204.03026	4.0
205.03340	0.3
275.08029	0.2
366.08322	14.5
367.08707	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	366.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99914	1.1
58.00601	2.7
59.01385	100.0
67.01873	1.6
68.75813	1.3
69.19120	5.1
69.19517	2.5
71.01391	27.0
72.99309	5.0
73.02934	3.5
74.37392	1.1
78.93317	1.3
82.21953	1.1
83.01398	12.6
85.02950	3.9
87.00880	1.9
88.98830	2.5
89.02454	41.9
90.02789	1.9
93.03462	2.1
99.00880	6.0
101.02448	3.6
104.05080	2.8
104.95338	1.3
110.93452	1.4
111.00888	4.4
113.02470	2.7
117.01954	13.8
131.03738	37.3
132.04597	22.6
133.92665	1.2
142.99881	2.4
144.04543	1.8
146.02527	8.5
147.02153	2.4
147.03278	42.5
157.12415	1.4
159.03267	3.0
160.04060	14.1
161.04556	2.4
162.05627	95.1
163.05937	4.9
173.00964	2.9
173.04546	2.9
174.01976	2.1
174.05583	2.1
175.02759	2.3
176.99226	1.3
178.05110	6.5
188.03555	28.0
189.03952	2.5
190.05048	1.8
192.04781	1.3
202.05107	3.4
203.12868	4.0
204.13173	3.8
206.04691	3.4
234.04120	3.4
246.04161	2.4
278.06729	1.6
306.06088	7.8
338.08682	1.8
357.26340	1.3
363.27625	1.6
365.18188	5.7
366.08304	69.9
366.18417	10.6
367.08551	6.8
373.84149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33243	2.2
63.88401	2.0
71.90720	2.0
83.47510	2.1
93.03445	5.4
95.13041	2.1
109.02866	1.9
119.33243	2.2
123.94233	2.5
142.81148	2.3
144.99721	2.0
157.05251	3.0
158.06136	100.0
159.06496	3.1
177.18318	2.2
202.05119	83.2
203.05389	5.0
230.13071	2.2
262.08746	2.4
302.45541	2.2
306.07892	2.6
337.76086	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	366.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13169	2.4
59.01384	37.6
67.01912	4.4
69.26468	14.0
71.01387	31.1
73.02953	11.6
83.01395	3.6
85.02957	14.3
87.00824	5.2
89.02441	10.1
93.03461	9.7
95.71045	3.0
99.00869	5.6
99.50915	2.9
101.02448	27.0
111.00885	13.4
111.04498	6.4
113.02489	14.1
117.03470	11.5
121.02960	7.8
134.03758	93.8
135.04546	5.4
145.49805	3.3
147.04532	5.1
147.06630	5.1
149.06073	7.4
151.55739	2.7
155.03543	3.4
157.71098	3.1
159.04550	3.5
161.04597	17.1
161.05804	4.4
162.44054	2.8
171.04433	5.7
172.05356	5.3
173.00951	4.2
173.04549	7.3
186.06897	32.0
187.07692	29.8
191.05667	29.3
193.05077	96.6
204.07938	100.0
205.08676	27.2
209.04631	3.0
235.11891	54.9
247.09686	4.7
250.27342	3.2
263.11328	5.7
349.12851	4.2
367.10172	5.0
367.14676	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	366.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42951	0.7
58.80194	0.6
61.23798	0.7
69.03465	1.3
72.04558	1.9
74.02478	100.0
77.98442	0.7
83.34241	0.7
118.05114	2.3
142.08740	0.9
148.18082	0.8
224.12929	2.1
251.60442	0.8
252.12442	2.5
253.13239	2.5
322.20242	54.6
323.20499	5.7
357.17789	0.9
364.90027	0.8
366.22891	22.8
367.23196	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	366.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31305	28.4
53.02010	29.7
59.01376	30.9
59.83405	25.6
61.98831	42.2
69.56343	100.0
70.21234	24.1
81.43188	24.6
82.94759	31.5
85.70526	26.7
87.43598	29.0
113.98000	30.1
129.00946	27.3
167.38591	29.4
197.98175	32.5
348.26199	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67388	0.4
59.01384	9.9
60.01711	0.5
60.99324	0.4
67.01902	5.9
69.55583	1.7
71.01395	2.3
72.99319	3.6
83.01391	3.3
85.02960	17.6
86.03316	0.5
87.00880	2.9
89.02459	1.7
93.03464	9.3
99.00890	1.3
99.04562	0.4
101.02467	2.1
103.67702	0.5
111.00893	100.0
111.04524	1.3
112.01202	3.5
113.02453	0.6
117.01954	0.5
117.03481	0.8
119.03451	0.5
121.02975	3.1
129.01964	4.9
131.03748	0.7
131.11992	0.5
132.04152	0.7
133.04910	0.5
134.03763	4.0
145.02962	2.6
146.02499	0.6
147.03253	1.5
148.03569	1.2
149.13345	0.4
154.99876	12.5
155.01071	0.9
155.72878	0.5
156.00243	0.7
161.04593	0.5
162.05600	2.2
163.06042	2.2
173.00935	26.4
173.04546	6.3
174.01323	1.2
174.04971	0.6
179.03358	0.5
181.55733	0.4
187.07663	1.3
188.00003	0.6
189.03868	0.5
191.05650	1.3
193.05090	1.5
205.08714	2.8
209.04593	1.0
220.59985	0.4
247.79924	0.4
306.05719	0.5
366.18469	1.1
367.03912	0.7
367.09592	4.4
367.18503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03444	0.9
59.01382	5.3
59.45559	0.3
60.99305	1.6
65.73789	0.4
67.01891	5.3
69.03457	2.2
70.20488	0.8
70.20818	0.5
71.01394	2.5
73.02942	0.5
80.56578	0.3
81.03448	1.1
83.05024	1.2
84.22668	0.4
84.31809	0.3
85.02960	6.6
86.03258	0.4
87.00882	8.0
89.02448	0.7
93.03464	36.1
94.03778	0.6
99.00861	0.6
99.04520	0.6
101.02483	0.5
109.02945	0.6
111.00884	2.0
111.04524	5.3
113.02451	0.6
117.03461	1.3
121.02952	1.3
127.04015	2.0
129.01935	1.0
134.03752	16.2
135.04391	0.6
137.02428	0.7
139.72911	0.3
143.03496	0.6
149.02431	4.9
149.06097	0.8
155.03496	1.8
159.04453	0.4
159.13605	0.4
160.01598	0.4
163.03983	0.4
163.05901	0.5
173.00900	0.6
173.04556	21.5
174.04761	0.6
175.04021	1.0
178.02773	0.5
187.07573	0.7
191.05620	100.0
192.05949	4.2
193.05045	6.7
194.05519	0.4
202.57030	0.4
204.07918	8.0
205.08705	4.9
206.09103	0.4
218.13054	0.3
223.94188	0.4
247.09714	0.7
279.06763	0.4
367.10248	2.9
367.14188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01382	2.1
61.98835	0.3
67.01893	1.1
67.29950	0.3
69.03477	0.4
71.01385	1.5
71.41660	0.3
72.50700	0.2
72.61196	0.3
79.80248	0.3
83.05022	0.7
85.02959	8.2
87.00882	3.5
88.37518	0.2
93.03464	7.2
97.99397	0.2
99.04569	0.3
100.18410	0.3
105.85764	0.3
109.02960	0.9
111.00909	1.8
111.04541	1.9
113.02415	0.5
117.03482	1.5
121.02943	0.4
127.04020	2.2
129.01880	0.4
134.03745	3.8
145.02968	5.0
154.99857	0.3
155.03522	0.3
163.04033	0.6
171.02945	0.7
173.00928	0.7
173.04575	3.0
175.04019	0.4
182.37842	0.2
182.69341	0.3
191.05624	100.0
192.05981	3.8
193.05106	1.5
202.76202	0.3
205.12393	0.5
266.20660	0.3
367.10382	2.5
368.09967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1037
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
54.96343	0.5
59.01387	4.9
61.98834	3.1
69.03465	0.5
71.01378	3.5
73.02950	1.3
75.19463	0.5
75.71748	0.5
76.90534	0.4
77.22340	0.4
81.03493	0.5
83.01385	0.8
83.05050	0.9
85.02958	3.1
85.06599	1.2
87.00886	1.2
89.02455	1.2
89.03979	1.7
93.03470	4.8
99.00889	1.2
101.02472	3.3
106.04288	0.5
109.02940	0.6
111.00900	5.4
111.04552	3.4
113.02484	1.1
117.03483	10.1
118.03780	0.6
119.04986	0.6
121.02980	2.0
127.00406	0.7
134.03754	96.2
135.04002	3.4
137.02383	0.8
147.04547	0.6
149.06104	7.5
154.99811	0.5
155.03535	3.0
156.95943	0.5
159.02969	0.5
160.05345	0.5
161.04500	1.2
172.05251	0.8
173.00908	1.8
173.04562	6.1
175.07639	1.1
186.06873	1.8
187.07658	5.5
188.08095	0.6
189.05403	0.5
191.05634	13.1
192.06035	0.9
193.05070	100.0
194.05396	5.3
204.07912	8.1
205.08661	4.5
209.04588	0.8
235.11919	3.7
247.09666	0.7
251.01537	0.5
347.67035	0.6
367.06726	0.5
367.10291	5.7
367.15927	2.1
368.10211	0.7
368.17285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01387	28.4
61.98839	3.9
69.03448	2.9
71.01392	4.2
73.02934	0.8
78.91883	0.6
85.02954	2.5
85.06618	0.9
89.02449	3.5
95.01382	1.4
101.02460	2.9
113.02458	21.5
116.92867	1.7
119.03502	1.5
127.04021	1.7
134.03818	1.0
135.04533	1.7
144.04576	1.8
145.02930	1.3
145.05092	14.5
146.03697	1.4
147.03395	0.9
147.04466	3.6
159.04535	4.2
161.04637	1.1
161.06081	1.8
164.10597	0.9
171.04483	3.3
172.05331	5.7
185.06046	0.9
186.06879	30.5
187.07658	22.2
188.08018	1.1
189.05589	2.8
190.06346	0.7
203.07072	0.9
204.07932	100.0
205.08694	71.3
205.14401	0.7
206.09038	4.1
219.06610	0.8
229.08693	2.1
235.11913	1.0
247.09807	3.6
259.09821	1.3
335.79926	0.7
367.14087	2.0
367.19781	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08600	0.9
57.03211	0.8
57.03449	6.5
59.01383	23.3
67.01894	2.3
67.18146	0.8
68.99804	0.9
69.03471	1.3
71.01388	36.6
71.14217	1.1
72.99313	3.4
73.02955	3.6
75.00880	26.8
83.01404	3.6
83.05074	1.0
85.02962	13.1
85.06598	100.0
86.06923	2.9
87.00877	10.1
89.02429	4.9
93.03477	9.8
97.02963	2.6
99.00894	33.1
101.02434	4.1
101.06089	2.3
109.04031	1.0
111.00906	4.9
111.04523	1.5
113.02468	1.6
113.06098	18.5
115.04020	18.0
119.03477	1.2
126.14236	0.9
127.03977	1.2
129.01953	31.1
129.05566	5.3
130.02222	1.2
131.03508	2.0
134.03792	4.8
135.04524	3.2
141.01958	2.7
145.08081	1.1
153.38225	0.9
157.05064	4.0
159.03043	6.6
161.02386	1.2
161.04587	1.0
173.04596	3.0
177.04063	51.1
178.04411	1.6
179.03554	1.2
181.13997	1.1
189.07712	11.1
191.05640	34.2
192.05971	1.8
193.05060	2.0
194.08482	1.0
195.05107	10.8
201.04099	2.8
237.06158	5.0
286.07724	1.0
367.12473	41.6
367.16998	2.1
368.12854	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	367.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68403	0.6
53.09725	0.5
53.67642	0.5
55.01877	1.1
57.03439	1.3
59.01081	0.8
59.01384	15.8
69.34320	1.8
69.34730	1.3
71.01388	12.5
73.02953	5.0
83.01385	2.6
85.02956	5.1
89.02444	5.7
95.01404	0.8
98.22656	1.2
99.00883	1.7
101.02453	12.0
101.07764	0.5
108.76675	0.5
111.00877	1.3
113.02448	5.1
116.75475	0.6
119.03532	0.8
125.02457	0.6
126.77601	0.6
131.03532	3.9
134.03772	1.8
135.04529	1.7
144.04585	0.7
145.02953	1.3
146.03757	2.0
147.04549	4.2
149.04588	1.6
159.03210	0.8
159.04533	3.6
161.04564	3.9
161.06079	2.2
171.04520	4.1
172.05339	3.5
173.05933	0.8
185.06027	1.3
186.06877	38.4
187.07651	21.2
188.07919	1.7
189.05573	3.5
199.07664	0.8
203.07188	1.1
204.07928	100.0
205.08679	41.3
206.09093	2.9
211.07620	0.6
217.08813	0.7
229.08788	4.4
235.11879	17.5
236.12244	1.5
241.08777	0.9
247.09766	4.1
248.10117	0.7
253.19370	0.6
259.09869	1.8
311.47665	0.6
349.12939	3.0
367.15787	10.9
368.16232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01382	18.4
69.09267	2.7
71.01388	2.4
73.02927	0.4
75.15919	0.5
81.03454	0.5
85.02955	1.5
87.00862	0.5
89.02442	0.7
93.03474	2.7
96.95992	0.5
101.02441	1.8
108.02152	1.0
109.02979	0.9
111.00893	3.6
113.02444	0.6
115.22404	0.4
121.02966	4.8
122.03794	2.5
125.02404	0.8
133.02946	0.9
134.03751	1.9
136.01639	2.2
137.02350	0.5
139.04001	0.7
143.05013	0.7
144.04572	0.7
145.02982	1.1
146.02502	1.0
146.03711	1.4
147.03273	2.4
149.02461	6.2
150.03241	8.4
157.06639	0.6
158.03784	0.6
159.03174	1.0
159.04527	19.3
159.08038	0.6
160.05055	1.8
161.02461	6.0
161.04596	1.2
161.06058	1.0
167.03500	1.8
171.04469	2.5
172.05319	16.0
173.00932	1.1
173.05994	1.9
174.01840	0.6
174.03337	0.5
174.06949	0.7
175.07654	4.6
176.08374	0.7
177.09276	1.3
185.06157	2.2
186.06879	2.1
187.07655	44.0
187.99947	0.8
188.04730	1.4
188.07982	3.1
189.05595	3.9
190.06322	0.8
203.07133	1.6
204.07932	16.1
205.08701	100.0
206.04610	10.0
206.09038	6.4
217.08800	0.7
285.99100	0.6
307.17661	1.6
367.13977	2.5
367.18118	0.7
368.09912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72292	0.7
59.01384	7.1
67.01929	0.6
68.21419	0.6
71.01376	1.9
71.42001	0.7
73.02963	0.8
78.07083	0.6
83.04994	0.8
83.60242	0.6
85.02966	1.1
87.00893	1.0
89.36366	0.7
93.02875	1.3
93.03461	23.2
94.95958	0.7
96.96030	3.5
101.02458	1.8
108.02184	1.6
111.04520	2.2
113.02436	1.3
117.03474	0.7
121.02966	17.1
122.03749	2.6
126.44380	0.7
134.03735	2.0
135.04539	2.9
136.01669	2.3
139.04004	1.2
143.05014	0.8
145.02922	1.3
149.02455	65.6
150.03223	6.8
159.04518	3.7
160.05138	1.2
161.02420	2.0
161.04585	1.2
161.06004	0.9
162.03175	1.0
163.03992	3.2
169.08717	10.2
170.09010	0.9
171.04520	1.1
172.05318	3.6
173.04530	1.7
173.05968	1.2
174.06918	1.6
175.04015	2.5
175.07648	5.2
176.08229	0.9
177.09178	2.3
185.06050	1.6
186.06850	1.2
187.07657	11.1
188.04837	0.9
188.07939	1.5
189.05609	5.2
189.09169	1.2
190.06401	4.9
191.05560	5.4
203.07156	2.9
204.07922	100.0
205.08688	82.6
206.09055	4.5
217.08644	3.6
219.10243	0.8
229.08662	1.5
231.10390	0.8
247.09714	7.2
248.10150	0.9
259.09772	2.2
303.17834	0.8
307.17374	0.7
317.75119	0.7
367.10327	1.9
367.14157	11.2
368.14410	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	367.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54321	0.5
59.01377	2.7
62.54608	0.6
69.45189	2.6
78.95894	0.6
88.34759	0.6
93.52573	0.6
117.17649	0.6
119.32469	0.7
121.02962	1.2
144.10210	0.6
147.04530	1.6
148.05319	100.0
149.05638	5.4
152.99597	1.2
163.07666	63.6
164.07939	4.0
198.53894	0.6
329.07797	0.6
367.21231	1.0
368.21371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08702	19.6
59.01371	79.2
68.51701	20.5
71.01346	40.6
71.25067	21.4
78.43658	21.3
85.02981	25.1
90.97193	21.5
98.22649	100.0
101.02485	23.3
102.98601	35.4
113.58727	22.4
117.03430	26.5
129.03276	24.1
145.02968	92.0
153.74562	23.6
191.05634	37.6
205.08676	26.1
205.12344	82.2
216.33342	21.9
295.86108	23.8
338.12366	25.3
349.49094	26.3
367.10098	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.7
57.03458	6.0
58.00590	1.4
59.01384	97.9
60.01710	1.2
61.98820	2.4
66.29629	0.7
69.03458	1.7
69.29471	3.7
71.01388	76.6
72.01730	1.2
72.99306	2.7
73.02954	26.1
73.06633	0.9
75.00864	1.4
83.01395	15.3
85.02956	34.2
85.06608	0.8
86.00114	1.4
87.00878	3.3
89.02456	36.9
90.02820	0.8
93.03436	0.9
95.01396	4.2
96.84417	0.7
97.02941	4.0
99.00890	9.6
99.14127	1.0
101.02452	76.1
102.02805	1.7
111.00909	5.2
111.01550	0.8
113.02460	26.4
115.03994	2.3
119.03527	2.3
125.02457	4.4
126.13550	1.0
129.02000	1.9
131.03523	28.8
134.03748	1.7
143.03497	3.5
148.96785	0.9
149.04564	8.1
159.03011	3.7
161.04582	20.3
161.05858	0.7
162.04970	0.9
186.06897	7.4
187.07582	4.6
189.05667	0.8
191.05594	1.8
193.05078	2.2
204.07922	15.4
205.08676	8.5
233.06703	3.9
235.11882	100.0
236.12158	6.5
259.09949	0.8
342.61880	0.9
349.13184	0.9
367.16098	74.3
368.16409	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	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87556	1.2
55.01889	6.7
56.53326	1.2
57.03448	7.7
58.78969	1.2
59.01384	96.8
60.01709	1.3
61.98828	4.0
69.03452	2.6
70.74633	1.7
71.01389	70.9
71.05039	1.5
71.96729	1.1
72.99306	2.8
73.02957	26.8
75.00867	1.3
81.03455	1.9
83.01398	13.9
83.65177	1.2
85.02956	34.3
85.06599	7.4
86.00117	2.7
87.00880	3.7
89.02451	34.5
89.03975	1.4
93.03460	3.9
95.01402	4.2
97.02973	3.3
99.00892	12.1
101.02454	72.9
102.02798	1.8
111.00893	9.1
111.04534	2.0
113.02464	24.6
113.06091	1.6
115.04018	2.8
117.03496	4.0
119.03553	2.2
125.02468	4.0
129.01917	1.8
131.03517	26.9
133.02966	1.7
134.03761	52.6
135.04584	6.2
143.03537	3.3
143.07224	1.2
147.04553	1.9
149.04567	6.4
149.06038	3.7
155.03522	1.2
159.03012	4.1
159.04512	1.6
161.04567	21.7
173.00903	1.5
173.04616	4.7
173.06070	1.9
175.07764	1.5
177.18317	1.0
181.20502	1.2
186.06839	7.2
187.07651	16.0
189.05598	2.0
191.05626	11.9
193.05075	56.4
194.05440	3.3
204.07945	33.9
205.08675	15.9
206.09103	1.4
233.06790	4.1
235.11890	100.0
236.12202	6.3
247.09865	2.3
249.67680	1.2
294.02631	1.3
367.10602	2.8
367.16144	62.3
368.16895	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	367.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.5
57.03445	6.3
58.00592	1.0
59.01385	100.0
61.98836	27.8
65.74876	0.9
69.03478	1.2
71.01388	77.0
71.05025	1.0
72.01728	1.5
72.99312	3.0
73.02950	24.3
75.00881	1.7
81.03479	1.6
83.01400	16.4
85.02956	36.0
85.06581	3.8
86.00107	0.9
86.03310	1.0
87.00883	4.6
89.02456	36.8
90.02805	1.2
93.03469	3.0
95.01402	4.0
97.02982	3.4
99.00889	8.9
101.02454	72.6
102.02834	1.2
111.00887	7.2
113.02462	24.1
113.06165	1.2
115.04025	2.5
116.92948	0.9
119.03527	2.4
121.02949	1.2
125.02483	4.9
127.04046	0.9
129.01956	2.1
131.03523	28.2
133.02972	1.2
134.03755	5.6
135.04509	2.3
137.02483	1.3
143.03511	3.5
145.03023	0.9
145.08727	3.2
147.04590	1.3
149.04567	9.4
159.03041	3.6
159.04503	1.8
161.04570	20.0
171.04514	1.1
173.04576	1.9
185.54085	0.9
186.06870	10.8
187.07681	7.7
191.05630	6.4
193.05005	4.1
204.07935	30.5
205.08704	13.8
206.09052	1.0
230.21750	0.8
233.06625	3.0
235.11897	92.8
236.12207	7.3
247.09657	1.2
254.01016	1.0
296.63943	0.8
367.16129	62.1
368.16504	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.5
61.34443	0.7
61.71779	0.7
61.98831	2.5
69.03461	1.5
71.01385	2.5
71.05024	20.0
71.43562	0.9
72.99287	0.7
73.02951	1.2
73.77291	0.7
75.20346	0.7
78.92014	0.7
78.95895	1.1
83.01398	2.0
85.02965	1.7
87.00893	1.8
89.02465	2.2
90.98653	0.8
97.02951	5.8
101.02467	1.9
108.93777	1.5
113.02469	2.5
115.04025	100.0
116.04359	2.2
117.05579	1.0
133.03165	0.7
140.84799	0.7
144.59666	0.7
155.02045	0.9
156.05772	0.7
161.04478	1.7
161.06085	1.9
175.07791	0.9
179.05757	1.1
181.03636	0.9
181.07243	1.3
195.01579	0.8
197.03024	1.4
205.05095	1.2
209.02988	1.0
213.00954	0.9
249.04135	1.3
251.04132	1.2
293.08908	1.4
367.06638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51886	0.6
59.01388	8.8
61.98830	3.9
63.00376	0.6
66.49493	0.6
67.67652	0.6
69.03464	1.4
69.40379	0.6
70.98744	0.6
71.01385	5.0
71.05026	20.6
72.99298	1.2
73.02938	1.2
75.20015	0.7
78.95911	0.9
83.01395	1.9
85.02947	1.0
87.00888	1.8
89.02472	2.5
93.03491	0.8
97.02958	4.9
101.02445	2.6
101.72339	0.6
108.93793	0.8
113.02467	2.4
115.00347	1.0
115.04025	100.0
116.04356	3.0
117.00200	1.9
119.03554	0.8
131.03445	1.0
135.04596	0.7
135.68117	0.6
149.04427	1.0
152.91805	1.2
155.02023	1.0
157.06639	0.8
160.04051	1.8
161.04468	4.0
161.06067	1.9
175.02495	1.9
175.07652	1.5
179.05603	0.9
181.07167	1.2
190.01448	0.8
193.05095	0.9
199.69749	0.7
205.05098	1.9
207.05046	0.9
213.00806	1.0
216.34018	0.8
225.06233	1.0
243.85280	0.6
249.04109	1.7
250.96484	0.7
251.04120	3.0
253.05745	0.6
256.36920	0.7
293.08688	2.1
367.00494	1.2
367.07510	1.6
393.10199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31966	0.8
59.01384	100.0
60.01715	1.4
67.01877	2.6
69.69599	2.0
71.01392	5.1
72.99338	1.0
73.02945	1.6
81.27263	0.9
83.01397	1.7
85.02965	7.5
87.00878	1.7
89.02441	1.1
93.03473	4.0
101.02457	4.4
109.90192	0.8
111.00895	31.8
113.02466	2.1
121.02989	0.9
128.06966	0.7
129.01936	1.6
134.03752	2.9
154.99896	4.4
161.04539	2.9
162.05600	0.9
163.05956	1.3
163.98654	0.7
173.00923	8.1
173.04587	3.9
191.05658	3.6
205.03816	0.9
206.04564	2.8
274.03223	0.9
307.17664	8.2
367.10040	1.0
382.96756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	1.5
61.98825	0.8
65.67156	0.4
67.01892	2.4
69.03473	0.6
71.01386	4.4
71.44992	0.6
72.99336	1.0
73.02963	2.1
74.25710	0.5
78.06423	0.5
78.95886	0.6
83.01414	1.3
85.02956	6.5
87.00906	2.3
89.02451	1.3
93.03469	7.1
99.00883	1.2
101.02456	4.8
111.00896	28.4
111.04566	0.9
112.01170	0.6
113.02505	2.0
117.03500	1.0
119.05042	2.9
121.03033	1.7
129.01981	1.5
134.03780	2.5
145.02942	4.9
154.37762	0.5
154.99849	4.1
159.03111	0.6
161.02525	0.7
161.04558	2.8
163.04097	2.2
173.00949	6.8
173.04555	4.4
187.99945	0.7
191.05591	4.3
193.05109	1.4
206.04597	0.9
209.04630	1.4
227.89296	0.5
266.97012	0.6
276.51648	0.6
307.17648	8.9
308.18121	1.1
367.10394	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67286	0.4
59.01374	0.7
69.51757	2.2
69.52042	0.5
79.87139	0.4
87.00882	0.8
96.18091	0.4
105.01936	4.1
132.03670	0.5
214.47301	0.5
279.23303	100.0
280.23666	11.5
310.53876	0.5
367.24875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56836	0.7
54.74561	0.8
59.01379	1.8
61.98830	1.6
70.56820	1.5
72.99311	2.9
75.00877	4.7
84.81159	0.6
85.58897	0.8
87.00880	47.6
87.24933	0.7
88.01212	1.3
89.18928	0.7
96.96012	0.9
105.01942	100.0
106.02287	1.3
116.92850	1.6
141.29774	0.6
144.04488	0.9
185.15131	0.7
279.23306	77.8
280.23621	8.8
367.20752	2.3
367.24905	3.0
389.42426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2644
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
51.88000	0.7
52.32634	0.6
57.30090	0.6
57.38127	0.6
70.92481	1.0
133.06595	1.6
149.09735	81.0
150.10057	4.1
154.13374	0.7
178.41972	0.7
205.15990	82.1
206.16306	6.5
260.06302	0.7
367.26428	100.0
368.26718	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03252	0.7
69.22790	4.4
99.52882	0.7
126.99545	0.8
132.51019	0.8
133.06592	10.0
149.09734	91.7
150.10046	4.7
191.32350	0.7
192.55240	0.8
194.09540	0.7
205.15991	50.4
206.16306	4.1
242.76535	0.7
295.17056	3.5
296.17700	1.0
328.16827	2.1
341.45096	0.8
367.26428	100.0
368.26718	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	368.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29154	0.6
50.71364	0.7
51.70852	0.7
59.01375	2.9
61.98834	100.0
63.85067	0.7
69.33670	0.7
69.96484	1.0
69.96811	1.4
71.01384	1.0
71.77432	0.7
87.00912	0.7
90.83816	0.7
95.37971	0.6
96.27481	0.8
98.21997	0.9
101.02474	0.7
116.05001	1.5
118.03025	1.1
125.02454	0.8
129.58667	0.7
130.06639	1.1
144.04565	16.2
146.02449	4.8
153.01938	1.1
158.06178	3.0
160.04045	0.7
162.05656	1.5
176.07214	1.6
186.05624	1.3
204.06715	2.0
230.04723	1.2
263.87033	0.7
290.93768	0.7
305.06671	1.5
341.53046	0.7
350.09045	1.7
368.10184	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	368.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89512	0.8
54.32788	0.8
59.01385	4.4
60.99293	1.6
61.98835	100.0
67.01892	2.3
69.03447	1.0
71.01388	3.6
74.93814	0.8
82.31631	0.8
85.02974	4.0
87.00890	5.4
89.02460	0.9
93.03466	17.5
101.02479	1.3
105.03449	2.4
107.05025	1.2
109.02933	0.9
111.04524	2.9
113.02515	1.3
116.92850	1.0
119.02972	0.8
123.04557	1.1
129.01994	1.1
133.02979	15.2
135.04526	1.6
137.02444	1.8
155.03519	1.5
173.04550	14.1
177.01978	2.5
191.05620	19.4
195.02997	2.4
200.11385	0.8
204.07997	0.9
206.09546	1.1
207.10219	1.3
215.05783	1.7
269.41095	0.9
351.07230	3.3
368.16669	1.4
369.07983	2.2
394.05002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.7
70.45832	1.2
71.01392	2.9
80.51303	0.6
88.43565	0.6
89.02456	1.1
90.84800	0.6
91.69669	0.6
92.05064	3.5
101.02437	1.1
106.06634	0.7
113.02463	0.8
116.05067	8.4
118.02988	7.0
119.03513	1.6
120.04593	1.0
128.05090	1.7
130.06641	9.9
131.03738	2.1
132.04546	1.8
132.08218	1.4
134.06140	4.1
142.06622	2.3
144.04556	100.0
145.04904	5.0
146.02487	29.2
146.06082	1.5
147.02791	0.7
148.07729	0.8
157.05360	0.9
158.06128	22.3
159.06444	0.7
160.04056	3.2
162.05655	6.1
168.04590	1.0
174.05602	2.3
176.05676	1.2
176.07152	12.5
182.42511	0.6
186.05586	6.1
188.03545	2.0
204.06664	13.9
230.04550	4.3
300.90268	0.7
306.09882	1.4
308.07697	2.1
337.52567	0.6
350.08786	6.8
368.09769	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	368.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98823	0.3
68.28410	0.1
69.51464	0.1
71.01392	0.3
80.76905	0.1
87.00872	0.3
89.00697	0.2
89.02461	0.2
90.03496	0.4
91.04270	0.4
101.02420	0.2
117.03493	0.2
118.02995	1.7
130.03015	0.2
138.05643	0.2
139.88332	0.1
145.02977	0.5
146.02481	3.7
147.03273	25.1
147.08151	0.3
148.03638	1.0
150.05612	0.7
151.00693	0.3
151.04097	0.2
162.02008	0.2
162.05531	0.2
164.03546	0.3
173.01286	0.1
174.00421	0.2
174.01976	4.0
175.02406	0.2
176.03729	0.2
178.05130	0.5
179.03477	0.2
188.03476	0.2
189.04346	0.7
190.01540	0.3
191.02238	3.9
204.03029	0.2
205.03810	1.5
206.04588	100.0
207.04932	5.3
283.02502	0.2
285.04050	0.4
285.37787	0.2
368.09875	3.4
369.09729	0.4
369.14005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1142
Annotation	6-Hydroxyprotopine
Peak:m/z	Relative Intensity
59.05204	0.5
61.98813	0.6
69.67411	1.5
69.67781	0.9
121.36080	0.5
133.02939	2.4
142.03078	0.5
143.03734	1.2
144.13953	0.4
148.04089	0.9
155.03841	0.5
156.04619	0.6
161.35733	0.5
162.03268	0.5
162.05597	1.7
174.01985	0.9
174.05716	0.5
177.05612	0.7
189.04314	4.7
190.05096	1.9
202.05119	48.9
203.05676	3.6
208.07712	1.2
214.05136	6.4
215.05936	4.7
216.06549	0.6
218.06026	0.6
221.04852	1.1
234.05687	0.5
235.06332	0.8
236.07161	1.4
239.05789	0.6
240.06725	3.3
246.05638	1.6
247.06372	1.6
249.04305	1.5
250.08836	0.7
263.05957	3.1
264.06656	5.7
265.07010	0.4
266.08282	1.1
267.05286	1.0
278.08188	2.2
279.08865	0.6
280.06155	1.7
282.07791	0.8
294.07858	2.2
304.06174	0.9
305.06885	1.2
306.07758	11.1
307.08185	1.2
308.05673	12.8
309.06113	1.8
322.07208	10.0
323.08005	60.3
324.08463	8.3
337.09546	0.7
338.10385	47.4
339.10706	5.7
366.09924	0.5
368.11420	100.0
369.11765	12.0
389.66599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76149	11.5
51.92269	12.1
57.03446	18.1
58.70960	13.1
59.01383	34.3
61.98825	26.5
65.61578	10.9
71.01387	51.1
71.42910	12.7
73.02940	18.3
78.95920	33.5
80.69236	14.1
85.02985	19.8
103.16788	12.4
109.02978	74.5
113.02459	39.2
115.00373	24.2
133.02946	15.7
145.02995	21.4
148.05283	20.3
167.06111	30.0
167.73141	12.0
175.04018	23.3
176.86116	15.3
203.03510	29.2
209.07281	100.0
215.03371	14.8
216.04221	28.0
217.04620	32.2
220.06125	19.5
225.14897	18.2
252.07774	40.1
311.12128	15.1
314.42218	14.2
324.09869	58.6
325.07263	15.6
368.04797	17.5
368.08829	48.4
369.05988	15.3
369.23007	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15012	1.1
57.03460	3.3
58.79673	1.2
59.01383	9.2
60.99319	6.6
61.98836	17.8
67.01895	11.3
69.03464	2.4
70.09969	1.2
70.10306	3.5
71.01384	9.2
73.02955	1.8
83.05048	2.0
85.02961	12.5
87.00884	18.3
89.02469	1.9
93.03471	76.0
94.03799	2.7
95.05054	4.2
99.00903	1.6
101.02460	1.7
105.03446	8.5
107.05050	4.5
109.02997	2.6
111.04517	11.0
115.04062	1.4
123.04552	4.4
127.04004	2.4
133.02977	82.0
134.03287	2.4
135.04550	11.1
137.02466	1.2
147.04558	1.8
149.02496	2.8
150.03316	1.7
150.13351	1.3
151.04021	4.0
155.03557	3.4
163.04033	1.4
173.04579	71.6
174.04926	2.5
176.08434	3.7
177.01958	14.3
177.09195	3.9
179.03502	2.9
189.09193	1.7
191.05653	100.0
192.06010	5.1
195.03020	16.8
196.03395	1.4
206.02132	1.4
206.09546	10.6
207.05087	1.4
207.06841	1.7
207.10255	5.6
209.02858	1.4
215.05644	15.0
307.08310	3.1
351.07272	19.7
352.07693	2.8
369.08279	10.0
369.12253	2.0
369.16443	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01123	0.8
59.01387	11.3
60.77829	0.6
61.62452	0.6
66.65266	0.6
69.81488	0.9
69.81862	1.0
71.01392	5.9
73.02936	1.4
81.03451	0.7
83.01408	1.7
85.02947	1.6
87.00890	3.1
89.02442	1.5
93.03474	1.0
95.01415	0.7
99.00925	0.9
101.02435	1.6
107.01374	0.8
108.47169	0.6
109.02979	1.6
110.13285	0.6
113.02454	1.6
113.10460	0.6
117.03487	0.6
119.03510	1.1
119.05040	1.2
121.02955	1.0
123.04553	1.1
125.02456	7.9
133.02972	2.3
147.04536	1.4
149.02448	1.6
149.06125	1.4
151.00357	2.0
151.03998	0.8
160.53085	0.7
161.02451	5.5
163.04007	1.8
165.01962	1.0
169.08775	0.9
177.01938	11.0
189.01988	5.4
190.02745	6.4
190.99872	1.0
191.03506	10.4
192.00632	2.2
193.05078	2.9
205.01462	8.0
206.02214	67.2
207.02985	42.4
208.03378	2.9
219.02979	2.6
221.04585	0.8
227.79474	0.8
231.02965	0.8
243.02986	0.7
249.03998	1.5
261.04080	1.9
369.08273	100.0
370.08621	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	369.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49944	0.8
57.03455	1.7
59.01375	4.6
60.53018	0.8
60.99306	5.6
61.98834	12.2
67.01898	11.6
69.03469	2.3
71.01393	6.9
73.02961	1.2
81.03465	2.4
83.05048	2.8
85.02974	11.0
85.06608	1.0
87.00882	17.6
89.02383	1.3
93.03472	71.8
94.03769	1.9
95.05050	2.5
97.57030	0.9
98.21819	2.5
99.00908	2.0
101.02476	1.1
105.03464	8.6
107.05030	3.9
109.02956	4.0
111.04535	10.8
113.02528	0.9
123.04542	3.5
127.04086	2.0
129.01947	2.2
133.02975	75.8
134.03314	3.4
135.04533	7.2
140.07292	1.0
149.02383	1.3
150.03273	2.0
151.04036	2.9
155.03525	1.9
156.11514	0.9
162.09926	1.0
163.04036	1.0
173.04573	62.7
174.04900	2.6
177.01950	14.3
179.03520	1.2
191.05635	100.0
192.05984	5.0
195.02995	15.9
195.04669	1.4
196.03351	1.4
206.09511	3.2
207.03001	1.5
207.06772	1.3
215.05632	11.0
307.08313	2.1
329.50397	0.9
338.24893	1.0
351.07236	14.7
352.07428	1.9
369.08215	9.8
369.12183	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	369.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01368	3.6
69.21359	10.5
71.01382	7.8
72.68060	1.5
101.34139	1.7
108.02175	4.2
109.02984	3.4
121.02972	8.1
122.03745	2.3
123.04565	4.5
123.08239	1.7
134.03743	3.0
136.01691	3.5
141.09241	56.1
142.09535	2.4
145.03032	2.8
146.03760	10.5
148.30893	1.7
149.02531	2.1
151.04015	7.1
159.04541	2.3
161.02458	2.6
161.06084	3.1
168.38835	1.8
169.90268	1.9
171.10286	100.0
172.10623	3.9
174.06836	16.8
177.01927	1.9
177.09177	3.6
178.40594	1.6
189.09222	21.9
205.08707	8.8
206.09460	20.9
207.10277	67.7
208.10590	4.7
217.01260	2.1
224.91534	2.2
230.16064	1.7
319.94324	1.7
339.08481	3.4
369.05591	2.6
369.22821	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	369.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.72887	1.4
69.58123	3.9
71.01389	40.0
73.02940	3.9
83.01400	3.7
85.02962	2.6
87.00907	2.0
89.02460	4.3
101.02455	6.3
113.02435	4.5
119.05379	1.9
133.02994	8.7
133.05081	57.3
159.06618	2.3
161.04558	6.3
182.11913	1.5
183.38293	1.9
187.06134	6.4
191.05684	3.8
192.34518	1.4
195.03069	2.8
209.58174	1.8
232.80559	1.6
244.22397	1.7
249.09866	8.8
277.09259	16.2
328.29153	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	369.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
61.52404	0.7
67.44323	0.7
69.54270	0.9
69.54609	3.1
71.01376	2.5
85.02957	1.7
93.03485	1.8
101.02460	1.7
108.02187	4.5
110.25694	0.8
113.02498	1.1
117.26643	0.7
121.02982	7.5
122.03752	6.4
123.04562	4.3
133.02968	1.6
134.03787	4.2
135.04530	2.3
136.01685	3.1
136.07788	0.9
145.02983	4.0
146.03784	11.4
149.02473	2.8
150.03220	2.1
151.04025	9.8
159.04494	2.2
160.05237	0.8
161.02428	1.1
161.06119	2.6
163.03995	1.5
171.08154	2.0
173.06082	2.2
174.06877	24.4
175.07220	1.7
176.08360	1.6
177.09229	5.9
178.09999	0.8
179.10709	1.3
180.04236	0.8
188.08435	1.0
189.09225	28.0
190.09602	1.7
191.05659	1.7
193.06081	1.5
197.36380	0.8
205.08733	10.9
206.09499	27.2
207.10286	100.0
208.10684	6.4
369.15616	0.9
370.15421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19639	0.5
59.01370	1.2
70.19725	0.5
70.76398	1.0
71.01376	2.0
73.02939	1.4
82.44550	0.5
85.02964	0.5
89.02467	0.6
93.03455	1.1
101.02432	1.1
108.02198	4.9
109.02998	0.6
113.02515	0.7
117.03470	7.4
118.03789	0.6
119.05084	2.8
121.02972	10.1
122.03767	5.9
123.04549	5.2
124.04887	0.6
133.02977	2.9
134.03760	6.4
135.04527	0.9
136.01682	4.4
137.02452	0.8
138.03239	1.0
145.02963	22.5
145.04855	1.0
146.03767	14.8
149.02461	2.5
150.03236	2.3
151.00420	1.0
151.04033	10.8
152.04564	0.8
159.04462	2.6
160.05295	0.9
161.02505	3.6
161.06102	4.4
162.03099	0.7
162.06821	1.0
163.04031	4.8
171.08183	1.3
172.05316	0.6
173.06120	1.2
174.06871	24.4
175.07260	1.3
176.08371	0.9
177.09236	4.3
178.09984	1.3
179.10793	1.6
185.06134	0.8
187.07704	0.7
188.08505	1.0
189.09244	28.0
190.09564	1.9
203.07239	0.8
205.08716	11.7
206.09497	27.0
207.10284	100.0
208.10611	6.8
219.10213	1.6
227.03419	0.9
231.10353	0.6
249.11191	0.7
255.03030	2.5
269.04562	5.0
270.04810	0.8
283.02551	2.3
284.03088	1.6
285.04071	19.2
286.04507	3.2
368.58725	1.3
369.09036	3.2
369.15735	0.9
369.59213	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	369.2437
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
52.00047	0.6
52.49294	0.5
71.20347	0.7
81.32617	0.6
104.02687	1.0
114.30423	0.6
133.10269	2.2
147.08167	1.0
149.09644	0.8
161.09789	1.2
163.11310	100.0
164.11655	5.4
179.10796	21.2
180.11119	1.8
187.11296	0.8
187.13068	0.6
193.12361	23.8
193.14124	1.3
194.12709	2.2
262.21564	0.7
279.13809	0.8
311.16864	1.0
337.21774	12.0
338.22192	1.4
369.24365	79.8
370.24680	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	369.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21288	0.3
60.38215	0.4
70.02135	0.9
87.00888	1.3
91.65611	0.3
98.21997	0.5
105.01946	4.1
111.50118	0.3
118.53615	0.4
144.81828	0.3
234.36977	0.3
234.45786	0.4
281.24881	100.0
282.25223	10.2
369.26770	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	369.3012
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
55.66712	6.7
55.82816	6.6
71.44410	6.8
72.00150	6.2
76.91179	7.1
89.60761	6.5
199.36530	8.0
210.15686	6.3
276.83997	7.8
307.30185	78.4
308.30310	12.4
351.28973	22.0
369.30121	100.0
370.30338	16.4
393.30994	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	370.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48599	2.7
57.03437	3.5
58.36688	2.2
58.37597	2.3
59.01391	12.2
59.01640	2.3
61.98829	3.5
69.12309	4.0
69.12713	10.4
69.83421	2.7
71.01398	5.2
80.91668	2.7
83.01378	3.8
85.02954	7.1
89.70421	2.3
97.02960	3.5
105.03605	2.4
109.02953	13.3
120.01288	5.6
121.02975	54.3
123.04530	9.8
125.02458	14.7
131.05109	2.9
137.02464	24.5
147.03050	3.5
148.04053	100.0
149.01009	4.1
149.02449	5.5
149.04381	3.5
149.06067	3.9
150.03259	4.1
151.03979	5.0
161.02478	3.1
161.06078	3.5
165.02086	3.5
165.05524	5.8
167.03548	2.9
179.03549	4.5
180.01639	2.4
191.02002	4.7
201.05676	2.4
203.07117	5.9
205.05078	4.7
207.06226	5.6
208.03362	3.4
217.82864	2.6
243.06418	2.8
245.08188	7.5
254.14566	2.7
285.06546	3.0
289.07196	34.7
311.05420	16.6
352.97336	2.8
371.06046	6.0
371.10117	3.9
371.17731	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81551	0.4
57.03447	0.6
59.01377	1.1
71.01381	0.9
71.05036	0.5
83.01402	0.5
87.00912	0.6
89.12852	0.4
93.03480	0.7
99.00893	0.6
105.01972	0.5
108.02199	0.8
109.02961	18.4
115.05535	0.5
117.03440	2.1
121.02969	1.7
134.03764	0.9
135.04498	0.4
135.11807	1.2
137.02438	0.7
138.09296	0.4
143.05099	0.5
144.02162	0.4
145.02968	36.4
146.03763	34.3
147.03043	0.7
147.04468	4.1
157.02956	1.5
158.03751	4.8
159.04521	4.4
161.02470	2.3
163.04018	4.3
165.04051	4.1
173.02452	13.1
174.03076	1.5
175.04019	1.4
177.05576	3.7
179.03520	0.5
179.10818	4.2
185.02496	0.6
187.04028	3.4
188.04791	2.1
189.01981	1.1
190.02727	16.6
191.03368	1.4
191.87323	0.4
193.06673	0.6
197.06096	0.6
202.02708	0.7
203.03583	1.9
204.04271	5.0
205.05067	100.0
206.05403	5.1
211.07559	0.5
217.05060	14.4
218.05525	1.2
221.06049	1.3
223.09734	0.6
224.04770	0.5
228.81360	0.5
229.01407	6.5
230.01888	0.4
237.05698	0.4
238.06403	0.5
239.07138	0.6
248.04855	0.5
249.05527	1.7
250.06273	0.9
253.05016	0.5
254.05904	0.6
261.04089	1.1
266.05875	1.2
267.06644	7.0
268.07230	0.9
277.05090	4.0
278.05695	1.0
293.04623	1.3
294.05267	1.1
295.06171	9.0
296.06674	0.8
309.07800	0.7
327.08743	20.3
327.25507	1.1
328.09039	1.8
339.05161	3.7
340.05527	0.5
341.10590	0.5
371.07742	2.0
371.12955	0.5
371.24414	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	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39224	0.5
57.03447	1.1
59.01377	4.6
60.99300	2.4
61.98824	1.0
67.01904	6.3
69.03455	1.6
71.01392	11.0
73.02959	3.0
78.01070	0.6
81.03450	1.3
82.49789	0.6
83.01390	1.5
83.05031	1.5
85.02952	12.2
87.00889	9.6
87.05621	0.6
88.04037	1.7
89.02451	0.9
93.03468	35.9
94.03828	1.0
95.01379	0.9
97.02950	0.9
99.00895	2.1
99.04519	3.6
101.02476	4.0
101.03008	0.7
106.00610	0.9
108.02203	0.7
109.02924	0.8
111.04503	5.4
113.02471	4.2
121.02970	12.0
123.00874	0.9
123.04552	1.0
125.02438	0.7
127.04044	1.9
129.01968	1.8
130.56316	0.8
135.04552	1.2
137.02455	1.0
137.06078	2.4
138.03265	1.0
139.07611	0.7
150.03230	2.4
150.06886	2.9
152.01184	0.6
153.02068	0.8
153.05582	9.3
155.03493	1.5
159.03012	1.4
161.02484	0.9
161.04575	6.6
164.08450	45.0
165.05579	1.1
165.09224	9.4
167.03546	1.1
173.04567	15.3
174.04893	0.7
179.03503	1.0
179.07216	1.5
191.05640	100.0
192.05969	4.7
194.02165	2.1
197.04585	7.8
200.18100	0.6
209.04596	3.7
288.42261	0.6
371.09802	9.0
371.13760	1.6
371.23065	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	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07043	1.9
51.95126	1.6
52.66691	1.8
52.89386	1.5
57.03452	2.1
59.01386	58.9
61.57917	1.5
61.77686	1.4
62.15050	2.0
62.17787	1.4
63.48246	1.7
71.01379	3.3
71.42000	1.9
72.26180	1.7
73.02931	2.1
79.49113	1.7
81.03453	2.1
83.01389	10.0
87.38071	1.6
91.01923	1.9
92.80865	1.5
95.01397	4.7
99.04550	1.7
108.02179	3.1
109.02969	3.5
113.02449	3.8
121.02956	22.7
121.06694	1.7
122.00096	2.5
123.00905	8.5
124.01756	2.1
125.02457	2.7
129.21259	1.8
130.08749	8.6
137.02464	13.8
138.03242	4.0
139.00383	3.7
149.01009	1.9
149.02425	1.9
152.01183	3.1
153.05586	14.7
155.03641	2.3
166.99905	3.7
167.03497	6.2
171.10242	4.2
181.01419	13.1
182.02176	7.7
195.93631	1.9
196.03606	2.1
197.02821	3.8
197.04579	48.0
209.04628	1.8
215.35297	1.9
237.04048	34.3
238.04416	2.9
252.06398	58.3
253.06735	4.1
267.08768	100.0
268.09048	8.7
285.04059	2.7
286.04443	2.8
291.08694	2.9
311.07687	16.4
312.08124	1.7
325.42834	1.8
371.17349	2.2
371.23132	4.5
386.29462	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	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10164	1.0
57.03443	1.2
57.60241	1.1
59.01386	54.5
64.02044	1.1
69.03451	3.2
71.01395	7.9
73.02966	1.2
83.01398	23.8
85.02969	1.8
86.52802	1.2
87.04523	2.7
89.00327	2.4
89.02467	6.3
91.01866	1.6
95.01407	2.2
101.02463	3.7
106.00629	2.7
109.03069	1.4
113.02431	3.2
119.03540	2.5
121.02966	46.6
122.00111	1.3
122.03712	4.9
123.00906	5.9
130.08749	1.5
131.03491	1.2
134.03696	1.2
135.04535	14.4
136.05333	2.8
136.98778	1.5
137.02466	10.0
137.06026	1.6
138.03242	7.5
139.00407	2.1
139.07713	1.4
146.54994	1.3
153.01877	1.1
153.05580	36.1
155.03494	1.9
166.99866	5.7
171.10291	4.2
181.01419	9.2
182.02231	13.0
189.01982	1.6
191.05597	1.2
194.09558	2.3
196.03737	2.1
197.04561	100.0
198.04861	5.9
207.10101	3.1
208.11061	30.2
209.11850	27.9
210.12157	2.6
237.03986	2.8
251.59338	1.3
252.06413	7.9
254.94925	1.1
267.08789	18.0
296.05374	7.2
311.07764	49.4
312.08041	3.1
329.08817	2.4
371.13263	8.9
385.79871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
68.99817	5.9
69.55837	2.4
71.01390	0.9
71.05035	1.0
95.05035	0.6
98.21901	0.7
108.02184	14.8
109.03011	1.2
121.02918	0.8
122.03777	1.3
123.04543	12.5
131.11771	0.6
132.02177	1.9
133.02969	1.0
134.03737	2.6
135.00850	0.7
135.04510	0.8
138.03252	0.7
147.04546	0.8
148.01610	1.0
150.03253	6.9
160.01717	0.9
161.02452	2.0
162.03241	100.0
163.03598	5.4
165.05617	0.9
177.05588	94.3
178.02733	14.8
178.05911	5.7
179.03447	1.6
186.03229	0.9
189.60254	0.7
193.03284	1.3
193.05069	26.0
194.05518	1.3
201.05542	1.4
202.02658	1.2
217.05095	2.5
219.25928	0.7
229.04875	0.8
247.06120	1.5
269.04422	1.0
270.04898	0.6
327.25116	1.3
341.10336	1.7
371.11313	5.2
371.24197	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	371.1137
Annotation	Clauslactone P
Peak:m/z	Relative Intensity
59.01370	4.7
63.99936	2.6
69.08550	15.4
119.05025	24.7
121.02954	3.7
123.04522	5.0
135.04510	2.7
147.04536	54.2
148.05325	55.9
149.02400	4.4
150.03201	7.2
160.05350	2.8
161.06131	15.3
162.03214	7.7
162.06842	7.2
163.04033	3.0
164.04829	2.7
174.03197	3.3
175.04007	2.6
176.04752	12.3
179.03603	2.8
180.04286	6.9
189.05592	8.0
190.06401	2.8
191.03503	97.2
191.07138	86.2
192.04251	15.7
192.07535	5.7
194.05785	4.2
203.06995	3.2
206.05840	23.5
211.07646	13.8
212.08046	6.8
220.03758	16.6
223.07626	4.3
224.03302	7.0
233.04523	6.0
234.05363	8.9
235.06108	32.8
238.04817	19.9
239.07133	6.3
251.07112	9.8
267.06607	16.2
268.03900	4.9
268.07358	17.4
269.04318	6.3
269.08044	2.5
279.06650	9.0
282.08841	3.3
283.09674	4.3
284.10382	2.8
294.08801	6.0
295.06219	5.0
299.12833	5.7
309.07776	8.1
312.06378	6.1
322.08383	4.3
323.05585	5.9
327.08694	12.5
327.12317	17.4
327.25562	5.3
328.12598	3.8
338.07916	14.9
341.10275	26.3
353.10287	37.5
354.10620	3.1
356.08612	3.7
371.06677	5.7
371.11356	100.0
371.24176	12.1
372.11700	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	371.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51670	1.6
52.85619	1.4
55.14225	1.5
56.45737	1.5
57.03416	1.7
59.01385	7.4
60.27018	1.6
71.15608	2.7
75.23858	1.6
87.04505	2.5
87.05418	1.7
105.73865	1.5
107.01238	1.5
109.02953	2.6
116.95388	1.9
124.01676	3.7
132.35747	1.8
136.01660	2.1
137.02481	1.7
175.07675	1.6
187.13423	2.1
189.05661	3.4
193.10402	1.6
193.15933	1.5
232.21577	1.9
239.07013	1.8
257.08145	1.7
267.06628	8.5
282.05377	2.7
282.09012	3.1
283.06134	18.0
285.07599	2.6
295.06143	3.0
297.07721	4.3
311.05588	18.9
311.08884	2.8
312.06226	6.3
313.07236	3.6
325.07339	2.8
326.08023	22.4
327.08551	10.3
327.12292	3.2
327.25366	4.9
337.07211	2.8
340.02060	2.4
340.05936	6.8
341.06613	12.1
341.10129	3.0
345.60474	1.6
355.08255	32.2
356.09030	88.3
357.09372	9.8
371.11395	100.0
371.24500	11.1
372.11609	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	371.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	19.5
59.01622	3.1
61.98836	27.5
63.88643	3.1
64.75189	3.8
69.92498	5.6
69.92804	5.7
71.01385	12.4
72.99300	3.1
73.02950	8.6
75.00890	3.8
79.95702	3.2
82.46108	2.9
85.02946	14.0
87.00880	27.9
89.02441	7.3
93.03460	14.1
97.05804	3.6
101.02423	7.3
105.01921	4.0
111.04516	4.9
113.02464	7.2
121.02998	4.7
123.04553	4.8
128.03551	11.1
131.98174	3.2
135.04549	37.1
136.01668	4.7
149.06133	4.2
151.04025	5.0
173.04573	21.8
179.07156	4.6
191.05627	100.0
199.67474	3.8
235.06143	14.9
293.08795	13.9
295.09030	7.0
353.08841	5.4
359.21017	3.8
371.05103	5.8
371.09827	44.1
372.10126	4.8
393.65524	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	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89507	1.3
55.01883	3.0
57.03449	4.6
59.01379	16.0
67.37408	1.1
69.44279	6.1
71.01387	79.9
73.02950	26.6
75.00866	1.8
81.95726	1.2
83.01395	9.5
83.29803	1.3
84.04576	1.1
85.02956	36.1
87.00916	2.9
89.02451	7.1
93.03463	3.4
95.01398	6.5
97.02968	2.6
99.00900	10.1
99.04525	24.9
101.02451	37.6
113.02464	30.2
113.03255	1.4
114.02843	1.3
121.02951	2.1
123.04536	2.1
125.02457	5.7
128.03499	1.3
130.08748	5.4
135.04543	2.0
135.08185	1.6
137.02325	1.2
137.06107	19.5
143.03543	3.1
145.34052	1.3
145.94029	1.2
150.03229	5.4
150.06900	19.6
159.03015	6.9
161.02516	2.2
161.04570	48.7
162.04953	1.9
163.07681	1.8
164.08437	51.6
165.05553	2.6
165.09222	100.0
166.09584	4.6
173.04576	9.3
173.43010	1.4
179.03526	1.8
179.07143	12.9
191.05605	3.0
194.05846	1.1
197.04626	2.3
209.04591	5.3
209.08214	4.2
240.17195	1.5
371.09726	1.6
371.13535	11.3
371.26422	6.0
372.13687	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	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27699	0.6
55.01880	0.8
57.03450	0.8
59.01392	9.0
66.96650	0.7
70.00407	0.8
70.00748	1.3
71.01389	16.0
72.99297	0.9
73.02956	6.0
75.00904	0.6
77.01177	0.6
83.01404	2.0
83.05026	0.8
85.02958	6.9
87.00884	2.7
88.04044	1.3
89.02454	3.6
93.03482	1.5
95.01402	1.6
97.02974	1.0
99.00888	2.0
99.04521	7.4
101.02454	11.1
102.05635	0.9
107.05025	0.8
108.02164	1.4
113.02467	7.9
114.05528	0.8
121.02991	1.4
121.06597	0.8
123.04561	1.0
125.02395	0.9
128.03558	1.8
129.10379	0.8
130.08757	6.1
133.10220	1.3
134.03717	0.8
135.04543	2.4
137.02417	0.8
137.06079	6.1
139.07704	0.8
144.11366	0.7
149.00897	1.1
149.09706	0.7
150.06892	4.9
151.11317	1.0
152.01161	1.4
159.03008	2.5
161.04581	10.5
162.04903	0.7
163.07686	1.0
164.08446	100.0
165.09213	18.1
166.05086	1.6
166.09659	0.8
167.03510	2.3
173.04582	3.1
173.05933	0.9
175.04053	0.7
177.09216	2.6
178.01405	0.8
179.07190	3.8
191.03433	0.7
191.05589	1.0
195.10283	0.8
197.04672	1.0
199.18170	0.9
207.98442	0.8
208.99223	1.6
209.08368	1.0
239.09290	4.4
240.17332	0.8
300.47998	0.7
315.73096	0.6
327.27573	1.0
371.04416	0.9
371.13541	4.7
371.22797	0.9
371.26724	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01883	1.8
57.03437	3.7
57.03699	1.0
58.00577	1.2
59.01383	100.0
69.03448	1.3
69.82567	3.7
71.01389	45.2
72.01740	1.1
72.99300	3.0
73.02937	2.6
80.27245	1.1
82.95408	1.1
83.01384	4.7
85.02958	17.5
87.00876	5.3
87.98421	1.0
89.02450	48.4
91.05536	3.1
92.40543	1.1
95.01385	2.4
97.02951	1.5
99.00906	1.5
99.58338	0.9
101.02453	28.2
103.15668	1.1
109.02942	3.3
113.02461	18.4
119.03512	22.1
121.02951	5.3
123.04552	2.1
125.02449	6.8
129.01930	4.0
131.03491	2.2
133.02937	1.1
135.04543	6.1
137.02458	6.5
143.03500	3.2
147.08182	1.8
149.00923	8.0
149.02409	3.0
149.04677	1.6
150.03229	1.8
153.01965	1.5
153.05595	2.0
158.89244	1.0
159.02971	1.3
161.02437	2.1
161.04515	2.1
162.45692	1.1
163.04070	1.1
166.02751	5.0
167.03441	1.6
170.10431	1.0
179.03493	2.5
179.05658	4.3
181.05092	2.4
181.71054	1.0
191.07234	1.4
193.05103	2.4
194.05673	2.3
196.03188	1.1
197.04602	3.7
208.07457	2.9
209.04680	2.9
209.06602	23.1
209.08235	1.8
221.08185	1.6
223.09785	3.9
237.04057	1.4
267.08765	3.6
287.70959	1.3
371.09525	4.2
371.13489	75.1
372.13895	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.5
55.19437	1.7
57.03445	4.9
59.01385	45.3
63.01228	1.9
69.24326	10.8
69.63786	1.7
71.01388	38.7
71.05028	5.2
73.02939	12.3
75.00877	13.4
81.51965	1.7
83.01413	2.4
83.05003	2.5
85.02956	13.4
85.06586	4.4
87.00878	10.0
87.04547	4.1
89.02455	19.3
97.01695	1.8
97.06628	3.7
99.00897	14.0
101.02452	22.9
101.48795	1.9
105.01944	7.7
109.02953	4.7
109.06659	2.9
112.98869	2.4
113.02470	12.1
119.03543	8.3
122.06054	1.8
129.01968	4.3
133.10219	2.9
135.04517	3.4
135.11835	24.7
137.02454	2.3
141.05484	2.1
143.03519	3.1
145.02950	6.6
146.03746	5.0
147.02998	15.4
161.04602	6.5
161.09755	2.6
165.04053	63.2
167.03490	2.6
168.03033	11.0
173.02534	2.7
179.10796	100.0
180.11110	9.9
190.02791	3.1
191.05740	2.6
191.21181	2.1
205.05090	24.1
209.15521	3.2
217.05029	3.1
223.09787	18.2
223.17224	2.2
265.60364	1.9
268.53711	2.2
295.06186	2.2
313.97708	2.1
327.08630	3.2
327.25412	12.9
371.13403	10.3
371.20721	3.5
371.24545	27.5
372.09109	2.0
391.29721	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	371.1349
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
53.77383	0.2
57.03446	1.3
59.01378	1.0
65.00329	0.9
69.22957	1.3
71.01382	0.5
71.05021	0.5
81.03459	4.8
83.01395	1.1
83.05029	0.4
85.02958	0.4
85.06591	0.3
87.04528	0.3
89.02423	0.3
91.38950	0.2
99.08150	0.5
101.06078	0.7
102.98580	0.7
107.01395	0.6
109.02944	0.2
115.07645	0.3
121.02973	0.3
122.03777	2.1
123.04586	0.4
123.08175	1.8
125.02462	7.4
125.06094	4.4
126.02745	0.3
136.28583	0.2
137.02437	0.3
137.09697	0.3
139.11256	0.4
145.02934	0.6
146.03717	0.4
149.02467	1.2
151.00374	1.3
165.09221	26.7
166.09570	1.6
167.03452	0.4
167.07278	0.3
169.12421	0.4
173.02444	0.3
190.02705	0.3
191.07092	1.1
205.05023	1.5
205.08669	0.2
209.08202	100.0
210.08540	7.4
216.13824	0.2
217.05029	0.2
223.09869	0.3
233.08302	0.4
242.09520	0.6
251.09326	0.6
267.06595	0.2
270.09055	0.4
283.09708	0.3
285.11292	0.5
298.08353	0.5
311.09369	0.3
313.10812	0.3
326.07889	0.6
327.08853	0.4
327.25412	1.3
341.10278	2.1
356.08804	0.4
356.12674	1.1
371.15442	1.3
371.24353	2.8
385.85516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1351
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
50.18615	0.7
55.01885	1.8
57.03454	1.4
59.01386	100.0
60.01713	1.8
67.22224	0.6
68.00405	0.6
69.03469	1.2
71.01391	36.5
72.99314	1.0
73.02969	1.9
73.66213	0.6
81.03461	0.8
81.17384	0.8
83.01395	11.4
85.02965	6.9
87.04530	1.5
87.05652	1.5
89.02455	41.3
91.01905	0.9
91.05548	2.6
95.01401	3.9
96.10931	0.7
96.71584	0.8
101.02450	25.4
105.18852	0.7
106.00650	1.3
109.02957	0.7
113.02460	15.8
118.63215	0.7
119.03518	21.1
119.04337	1.4
120.03899	0.8
121.02966	17.7
122.03805	0.7
123.00906	2.0
125.58380	0.7
128.03497	1.0
130.08752	10.8
131.03542	2.2
135.04547	3.0
137.02505	3.6
138.03244	3.2
143.03557	2.3
149.04539	1.3
149.20079	0.8
149.21298	0.8
153.05597	14.0
155.03482	1.0
161.04607	0.9
163.07800	0.7
166.99905	1.9
172.96861	0.8
173.29367	0.7
177.83733	0.7
179.05661	2.7
180.10358	2.1
181.01482	2.6
182.02231	5.3
191.05702	1.0
191.07217	1.1
196.25708	0.7
197.04568	34.4
198.04967	2.5
199.18262	0.8
208.11047	3.4
209.08249	1.2
209.11850	4.0
223.06161	0.8
223.11269	0.8
237.04045	1.7
241.11980	1.0
243.17139	0.8
252.06491	2.8
267.08740	6.2
281.03030	0.8
296.05399	3.2
311.07767	22.0
312.08160	1.8
327.23950	0.9
329.08817	0.8
354.20337	2.4
371.13480	71.0
371.22964	5.7
372.13803	8.3
372.21542	2.2
375.46347	0.7
383.90408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1501
Annotation	Denudanolide C
Peak:m/z	Relative Intensity
59.01396	1.3
68.75316	0.4
69.03471	0.9
69.42898	2.1
71.01376	0.5
81.07130	0.5
82.11434	0.4
83.05064	0.4
85.02960	0.6
86.04769	0.4
86.37841	0.5
101.02483	0.5
107.02707	0.6
109.02996	0.5
113.02464	1.4
119.73717	0.5
132.02208	4.9
135.04614	0.7
147.04561	0.7
160.01675	14.2
161.02168	0.9
166.06374	1.9
175.04112	0.9
181.08675	1.3
190.06290	0.5
197.06084	2.8
205.08694	0.8
211.04034	3.8
211.07587	1.1
215.07146	0.6
223.07735	1.0
224.04826	0.5
224.08519	0.6
225.05643	1.1
226.06281	1.0
226.10094	1.6
229.08795	0.5
237.05605	0.6
238.06496	0.7
239.03462	0.8
239.07112	0.7
241.53938	0.5
242.09499	26.6
243.09901	2.9
245.08281	1.3
246.08949	3.6
251.07072	1.4
252.04439	0.5
252.07889	0.8
253.05177	1.5
253.08777	2.0
254.05917	1.7
254.09427	2.1
255.10042	0.5
257.11829	10.8
258.12170	0.7
265.05417	0.5
265.08560	0.7
266.05948	0.6
267.10327	0.7
269.08206	2.3
269.11893	1.8
270.09006	16.3
271.09329	1.1
279.06680	0.8
280.07471	1.1
281.04581	5.9
281.08118	2.5
282.05450	1.0
282.08951	8.3
283.09744	3.0
283.15497	0.7
285.08066	1.1
285.11337	20.0
286.11758	1.6
293.08313	0.6
295.06635	0.6
295.09763	3.0
296.07114	0.7
296.10391	1.5
297.07687	2.6
297.11017	0.9
298.08496	14.5
299.08887	1.2
308.07080	1.2
309.07782	2.8
310.08493	8.5
311.09238	8.7
312.09769	1.4
313.10861	9.4
315.15021	0.5
323.09207	4.9
324.10086	6.3
325.07315	0.6
325.10825	13.3
326.07971	15.6
326.11615	8.2
327.08408	1.9
327.12064	0.5
339.12418	5.7
340.09369	0.7
340.13135	5.9
341.10312	100.0
342.10651	11.3
342.14484	0.8
355.11938	1.7
356.12677	66.4
357.08963	0.8
357.13031	8.1
371.15015	84.9
372.15369	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	7.3
57.03455	8.8
58.00600	1.5
59.01387	79.9
60.01732	0.6
69.03462	1.7
71.01389	100.0
71.05007	0.9
71.43165	0.5
72.01731	1.4
72.99323	2.4
73.02955	34.7
74.03298	0.6
75.00892	1.9
81.03492	0.6
83.01398	16.3
84.02185	1.0
85.02961	50.2
86.00121	1.0
86.03291	0.7
87.00880	3.9
89.02457	25.9
95.01405	8.1
97.02967	2.7
99.00895	13.4
101.02454	85.5
102.02799	1.8
108.02204	0.9
111.00901	1.0
113.02462	44.9
114.02813	0.9
119.03523	10.2
123.08165	0.7
125.02448	2.1
126.12344	0.5
129.01979	2.7
131.03508	1.4
133.02948	0.5
137.09741	1.9
143.03529	4.9
149.04582	0.9
149.09825	0.4
152.01111	0.6
158.73271	0.5
159.03004	10.7
161.04578	48.1
162.04915	1.4
165.12689	0.5
167.03511	2.1
168.03035	1.7
179.05612	1.7
179.10883	0.4
209.15466	10.6
210.15887	0.7
241.35239	0.4
245.98972	0.4
279.15906	0.6
371.20752	40.1
372.21069	4.6
381.10120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.219
Annotation	TMC-96
Peak:m/z	Relative Intensity
59.01377	1.7
69.25359	2.7
71.01398	0.6
73.02959	0.4
80.77882	0.5
81.03462	14.5
82.06635	0.4
83.05032	58.1
84.05360	1.7
85.02958	0.4
87.05646	1.5
87.57349	0.5
89.02477	0.6
98.21873	0.8
99.15576	0.4
100.07696	14.9
108.02192	0.8
112.15119	0.4
126.05598	1.4
127.04024	1.4
127.05005	0.6
128.03552	0.5
130.08727	3.0
135.04463	0.5
138.09268	0.4
147.97762	0.4
149.06024	0.4
152.01204	0.5
152.93166	0.4
167.03516	2.1
179.03613	0.4
180.10210	0.6
181.90370	0.5
182.15488	1.1
191.05568	0.5
199.18193	9.8
200.18573	0.6
207.14999	1.2
225.16087	12.6
226.14551	0.5
226.16536	0.5
243.17139	33.2
244.17487	2.2
269.04507	0.9
269.15067	2.5
270.04849	0.8
283.15448	0.4
309.21857	1.6
327.22995	0.6
353.20859	9.3
354.21075	1.3
371.21887	100.0
372.22232	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	371.244
Annotation	Polyrhacitide B
Peak:m/z	Relative Intensity
50.76908	0.9
53.30184	0.8
57.03442	2.5
59.01346	1.1
69.03455	4.1
69.21860	5.8
71.05043	1.4
88.80962	1.0
125.09739	5.9
127.11304	28.1
137.09726	11.0
139.11293	20.0
139.12318	1.5
142.07268	0.9
155.10799	42.2
156.11089	1.8
157.12344	25.5
167.10852	2.1
168.11481	0.9
169.12326	4.6
178.02795	1.6
179.07253	0.9
187.13402	22.9
188.13747	1.8
192.04340	2.6
193.05040	1.3
216.13670	14.4
217.14186	1.4
245.17644	2.8
269.04370	0.9
285.07669	2.2
306.36890	0.9
309.24387	1.5
313.07318	1.8
327.25430	61.3
328.25851	6.9
341.06726	1.4
356.09137	6.6
370.97549	1.4
371.11465	9.3
371.24405	100.0
372.24756	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	371.244
Annotation	Polyrhacitide B
Peak:m/z	Relative Intensity
57.03440	2.3
59.01378	1.4
69.03457	2.9
69.62686	1.5
69.63078	1.2
71.01379	0.7
71.05019	1.5
73.02957	0.7
81.07096	0.9
83.05029	0.9
87.04507	1.1
97.06589	0.9
98.22696	0.6
99.04626	0.6
99.08162	1.1
111.08174	0.9
121.02921	0.7
121.62053	0.6
123.08186	0.8
125.09743	5.9
127.11299	29.0
128.11671	1.0
128.13968	0.6
137.09731	11.6
139.11304	20.8
140.11607	0.7
141.12846	1.1
143.10817	0.7
146.03743	1.8
151.11340	1.4
155.10783	38.8
156.11122	1.8
157.12349	22.4
158.12659	1.4
161.02449	0.7
167.10745	2.1
168.11577	1.0
169.12355	5.9
173.17760	0.6
187.11703	1.2
187.13403	23.2
188.13727	1.2
197.15410	0.8
198.27458	0.6
215.12880	0.6
216.11687	1.2
216.13675	15.9
217.14279	1.4
245.17673	2.7
277.21689	0.9
290.32886	0.7
291.23300	0.9
295.22702	0.8
297.11462	1.8
297.24338	1.8
309.24335	1.9
327.25421	58.8
328.25754	7.1
335.28314	0.6
353.23581	0.6
371.24399	100.0
372.11847	0.6
372.24731	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	371.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75187	0.5
57.68547	0.5
59.01379	1.2
60.42317	0.5
61.98838	1.0
71.01360	0.6
89.02409	0.6
91.04011	3.3
131.07774	0.5
144.67506	0.7
176.47853	0.5
182.14806	0.6
183.13913	42.1
184.14224	2.8
192.40591	0.5
202.25630	0.5
226.26146	0.5
232.21799	0.5
279.23349	5.3
286.97830	0.6
297.24368	100.0
298.24716	9.4
314.13443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47738	0.5
59.01377	1.5
89.02440	0.9
91.04036	3.1
183.13911	37.7
184.14236	2.3
211.21246	0.7
226.10501	0.7
279.23294	7.3
297.24356	100.0
298.24652	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	372.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40598	0.7
59.01385	21.9
59.86895	0.6
61.98832	3.6
62.73447	0.6
71.01391	1.8
72.88092	0.6
74.94250	0.6
89.02443	0.9
101.02438	0.7
101.75766	0.6
108.02215	0.9
119.03495	0.6
129.80182	0.8
131.03755	1.3
132.04572	100.0
133.04926	4.1
150.05644	1.3
167.07164	0.8
193.05238	0.7
229.00102	0.7
271.90726	0.7
287.20523	0.7
287.89450	0.6
366.10098	0.7
373.04572	1.6
373.11481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00662	0.5
52.70490	0.6
53.88494	0.6
59.01384	16.4
59.78085	0.7
69.56290	2.6
76.81121	0.9
89.02451	0.8
91.34459	0.7
98.21876	0.6
132.04565	100.0
133.04877	4.6
147.88223	0.6
150.05643	1.9
153.15366	0.6
172.17471	0.6
182.58855	0.6
241.79156	0.7
243.91356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	48.4
61.98837	62.1
70.08795	3.3
70.09162	2.9
71.01385	13.3
71.05018	3.4
76.96877	1.3
83.01421	1.2
83.67343	1.4
85.02943	3.1
86.96181	1.4
89.02454	10.4
96.87885	1.6
100.45125	1.5
101.02445	8.8
108.02187	13.6
113.02441	4.3
113.93141	1.4
119.03511	5.0
120.39611	1.6
122.03782	1.9
123.00856	2.8
123.04528	6.2
132.04565	100.0
133.04935	5.5
136.01636	4.6
137.06100	1.7
142.53210	1.4
149.02391	2.8
150.03212	11.6
150.05669	2.1
176.42549	1.7
178.02725	49.2
193.05078	96.2
333.55145	1.6
373.11234	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	372.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76916	2.2
59.01382	24.1
69.05596	16.7
73.10906	2.3
79.63098	2.7
87.00886	8.4
87.71941	2.3
90.68954	2.2
98.22667	4.2
103.00354	3.9
112.98828	13.0
127.25297	2.3
167.10818	3.8
176.60684	2.6
190.02725	6.1
241.18111	100.0
327.45349	2.3
329.14029	7.7
342.06219	4.4
357.08569	3.8
373.12973	17.6
373.17050	3.3
373.25970	37.5
384.81744	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	372.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60532	33.1
56.49633	31.0
69.46349	73.5
69.46761	100.0
86.32813	39.4
89.26712	46.1
94.91142	34.5
98.22670	42.2
99.43377	36.9
174.41985	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42210	84.5
73.63162	95.8
96.89942	81.1
100.79086	78.5
114.43160	93.7
157.54716	76.6
213.92149	100.0
342.48358	86.5
382.61920	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.2
61.98846	0.5
65.91342	0.4
70.35358	0.4
70.35670	0.6
71.01392	1.2
72.13620	0.5
78.91916	0.5
78.95912	53.7
87.00880	1.9
89.02451	1.6
96.96970	100.0
101.02444	0.9
105.01954	1.3
108.02156	1.2
113.02503	0.6
119.03519	0.6
123.04544	0.5
132.04596	2.5
133.04900	1.4
136.01691	0.5
150.03256	1.3
178.02715	3.7
179.67339	0.4
193.05075	7.7
252.96127	0.4
373.11511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48891	0.6
55.96836	0.5
59.01385	3.8
69.88652	1.2
71.01389	1.0
78.95911	51.8
85.02956	0.5
87.00896	1.4
89.02459	1.6
96.96970	100.0
98.21849	0.6
101.02430	0.8
103.80074	0.4
108.02197	2.3
113.02464	0.9
119.03526	0.9
123.00849	0.5
123.04541	0.8
132.04524	1.1
133.04913	1.1
135.04552	1.0
136.01634	0.6
137.02435	0.7
140.26204	0.4
145.06331	0.5
148.01573	0.5
150.03185	1.2
178.02745	5.8
179.30856	0.5
193.05070	10.5
194.05336	0.6
211.06175	0.5
258.40295	0.5
366.23288	0.5
373.11105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.77892	1.4
99.51955	0.4
131.92136	0.4
211.06523	0.6
315.21909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	33.0
61.98840	4.4
65.25443	0.6
70.77592	0.9
71.01386	13.7
71.05013	0.8
73.51655	0.7
80.75249	0.6
85.02945	2.4
89.02451	13.7
92.11929	0.7
95.01423	1.1
101.02445	8.2
107.01421	0.7
108.02178	16.5
111.00844	1.0
113.02464	3.9
119.03510	5.4
121.02988	0.9
122.03769	2.0
123.00905	3.2
123.04537	5.3
124.01647	1.8
132.04536	2.2
133.02919	0.6
133.04909	1.8
135.00868	0.8
136.01683	6.3
137.06104	1.7
148.01654	1.0
149.02437	3.0
150.03232	11.3
151.03922	0.8
163.04057	0.7
165.05576	2.4
169.77028	0.6
177.01923	1.7
178.02728	50.1
179.03059	1.8
193.05066	100.0
194.05399	7.7
267.88647	0.7
357.85745	0.6
373.11441	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	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01382	25.9
59.52581	0.7
61.98835	47.2
68.14310	0.5
71.01389	12.6
71.11355	0.7
73.02940	0.6
74.87685	0.6
83.01409	1.1
85.02958	2.6
89.02455	11.8
89.02973	0.4
95.01395	1.3
99.18391	0.7
101.02454	6.9
107.01409	0.6
108.02175	15.4
109.03041	0.7
113.02467	4.2
119.03512	6.7
120.40115	0.7
121.02946	1.3
122.03751	1.4
123.00890	2.7
123.04562	4.4
124.01656	1.7
133.04900	0.6
135.00958	0.7
136.01692	5.4
137.06068	1.1
148.01672	0.9
149.02452	1.8
150.03242	9.4
165.05566	1.7
177.01929	1.6
178.02733	45.9
179.03107	2.8
193.05075	100.0
194.05389	6.3
373.11206	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	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52428	1.1
50.59959	1.0
57.03454	1.1
59.01384	100.0
66.96416	1.1
68.75626	1.0
71.01376	4.7
71.41460	1.2
71.57345	1.2
87.00903	1.7
90.61163	1.1
91.01906	4.3
92.02689	1.2
93.03467	3.7
101.02451	2.5
109.02984	1.9
113.02427	1.7
121.02969	3.6
137.02464	4.5
151.04021	54.6
152.04402	2.0
161.04605	3.7
163.03966	1.7
169.43552	1.2
170.24350	1.2
193.05016	1.9
197.11821	1.3
241.05046	2.3
241.10811	2.3
246.79707	1.2
331.17789	1.7
350.95691	1.2
385.60245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52152	0.9
55.01894	0.8
58.99100	0.6
59.01385	18.1
61.98846	0.9
65.11942	0.7
69.03439	0.7
71.01389	5.2
71.05029	1.1
72.99319	4.4
73.02953	63.1
74.03290	1.4
83.01412	0.7
85.02970	1.8
87.00890	12.3
89.02452	5.3
101.02446	3.6
103.00389	2.1
105.07091	6.2
112.98798	1.0
113.02464	2.6
115.04074	0.7
116.72455	0.7
119.03490	2.7
123.08176	56.9
124.08509	2.5
129.05647	0.7
135.08192	0.7
135.11760	0.7
145.06190	0.9
146.04688	0.7
149.00935	26.4
149.06073	0.8
149.09731	0.8
151.03967	2.3
161.04558	1.1
167.05757	1.3
167.07153	13.9
179.05663	0.8
179.10806	3.2
191.05672	0.8
194.31538	0.8
196.07184	0.7
197.11789	4.5
211.09714	1.5
213.01643	0.7
223.09773	4.2
224.10243	0.9
241.10835	100.0
242.11139	6.7
271.93967	0.7
373.10974	1.4
373.14874	1.4
373.18784	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	373.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21718	1.8
52.12383	1.8
52.63359	1.7
57.03437	2.1
58.45459	1.8
59.01379	20.9
64.44119	1.7
69.76697	1.8
71.01384	7.7
71.44440	2.3
78.54134	1.9
85.02959	2.6
89.02451	8.1
101.02439	5.1
109.02922	3.7
109.06735	1.8
111.00838	2.1
113.02470	2.1
119.03539	3.4
121.02965	8.0
123.04548	3.5
132.04546	2.4
134.03769	8.6
135.04544	4.9
135.09819	2.0
137.02415	3.7
145.02980	4.0
146.03758	31.4
147.04462	8.6
149.02451	3.5
149.06079	13.8
150.03229	6.6
151.04033	21.5
152.07178	3.8
159.04515	4.0
161.02390	2.2
161.06110	17.1
161.93658	1.9
162.03232	31.3
163.04034	10.0
164.04800	21.1
165.05435	3.5
175.02640	1.8
175.03987	11.3
177.01862	2.4
177.05605	17.9
178.02689	7.2
178.06364	4.6
179.03542	51.0
179.07150	100.0
179.08754	5.0
180.04292	64.0
180.07478	7.7
181.04639	2.8
189.92841	1.9
193.05081	5.8
194.05843	24.1
195.06645	56.0
196.06963	3.2
205.05107	2.1
267.06528	3.9
268.07465	3.9
269.08191	6.8
281.07892	3.6
283.09860	4.0
284.10440	5.4
295.09735	3.1
328.09262	3.3
329.13913	19.5
330.14313	2.5
340.09467	7.1
343.11902	19.0
344.11917	2.5
355.11865	15.6
358.10522	3.5
373.12869	11.5
373.18539	21.2
373.25803	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	373.1297
Annotation	Vladinol D
Peak:m/z	Relative Intensity
55.13106	0.8
59.01387	6.0
68.99820	17.9
69.48402	3.3
71.01386	1.6
73.02925	1.0
80.02676	0.8
81.03454	1.5
82.88831	0.8
93.03469	1.1
95.01422	1.4
101.02433	1.8
107.01378	2.2
108.02181	57.6
109.02995	11.4
111.00871	1.2
117.03477	2.2
121.02972	3.9
122.03769	9.3
123.00898	14.2
123.04533	40.9
124.01632	1.9
124.04879	1.5
125.02486	1.2
132.02170	8.7
133.02931	3.4
134.03720	1.0
135.00896	1.9
135.04573	1.6
136.01674	3.7
138.03238	12.8
145.02943	2.2
146.03745	37.7
147.04549	9.4
148.01617	4.4
149.02415	2.4
150.03238	31.6
151.03819	1.5
153.05542	2.4
159.04535	1.1
160.01596	1.1
161.02458	13.7
161.04663	1.2
161.06076	9.9
162.03233	26.8
163.04022	15.9
164.01193	1.8
164.04799	26.5
165.01956	1.1
165.05418	3.7
174.03136	1.5
175.04027	1.2
175.07718	1.2
177.05579	39.7
178.02722	60.9
178.05881	1.9
179.03464	8.0
179.07138	41.9
180.07478	3.2
188.04767	3.3
189.05589	1.0
193.05066	100.0
194.05771	15.6
195.06334	1.1
203.07179	2.7
204.04330	2.3
219.06630	6.7
231.06586	2.7
249.07671	5.8
298.08481	4.1
310.08456	1.4
313.10837	12.6
313.42389	0.8
314.06516	0.9
314.10812	1.5
325.10867	5.5
328.09406	2.0
343.11868	13.6
344.12238	2.0
355.11609	1.6
373.12939	51.4
373.26016	1.9
374.13235	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	373.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13106	0.8
59.01387	6.0
68.99820	17.9
69.48402	3.3
71.01386	1.6
73.02925	1.0
80.02676	0.8
81.03454	1.5
82.88831	0.8
93.03469	1.1
95.01422	1.4
101.02433	1.8
107.01378	2.2
108.02181	57.6
109.02995	11.4
111.00871	1.2
117.03477	2.2
121.02972	3.9
122.03769	9.3
123.00898	14.2
123.04533	40.9
124.01632	1.9
124.04879	1.5
125.02486	1.2
132.02170	8.7
133.02931	3.4
134.03720	1.0
135.00896	1.9
135.04573	1.6
136.01674	3.7
138.03238	12.8
145.02943	2.2
146.03745	37.7
147.04549	9.4
148.01617	4.4
149.02415	2.4
150.03238	31.6
151.03819	1.5
153.05542	2.4
159.04535	1.1
160.01596	1.1
161.02458	13.7
161.04663	1.2
161.06076	9.9
162.03233	26.8
163.04022	15.9
164.01193	1.8
164.04799	26.5
165.01956	1.1
165.05418	3.7
174.03136	1.5
175.04027	1.2
175.07718	1.2
177.05579	39.7
178.02722	60.9
178.05881	1.9
179.03464	8.0
179.07138	41.9
180.07478	3.2
188.04767	3.3
189.05589	1.0
193.05066	100.0
194.05771	15.6
195.06334	1.1
203.07179	2.7
204.04330	2.3
219.06630	6.7
231.06586	2.7
249.07671	5.8
298.08481	4.1
310.08456	1.4
313.10837	12.6
313.42389	0.8
314.06516	0.9
314.10812	1.5
325.10867	5.5
328.09406	2.0
343.11868	13.6
344.12238	2.0
355.11609	1.6
373.12939	51.4
373.26016	1.9
374.13235	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	373.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31119	0.5
52.87742	0.5
53.26937	0.5
55.47182	0.5
58.81527	0.5
59.01375	2.8
68.29971	0.5
69.15229	3.7
71.01392	1.3
73.02941	0.8
79.58881	0.5
80.05070	1.9
89.02464	0.9
94.06637	4.0
95.11020	0.5
95.59235	0.5
101.02452	1.0
104.05070	8.9
106.06639	0.6
107.03779	7.0
108.04565	9.3
109.04926	0.6
120.04539	0.9
121.05371	1.0
122.06136	38.5
123.06487	1.5
124.07689	2.3
131.03770	0.5
132.04568	79.5
133.04898	3.0
134.03868	0.5
134.06143	3.0
144.04559	1.0
148.04044	6.4
150.05624	2.0
152.07187	93.1
153.07516	4.2
160.04027	1.1
176.02007	0.6
176.03539	10.7
177.03914	0.7
183.10278	1.1
188.03568	1.6
189.04135	0.5
190.05031	1.0
208.06161	4.8
239.11900	0.7
269.12943	5.5
273.12473	7.7
297.12479	31.5
298.12726	2.4
300.85077	0.5
313.11972	5.0
341.11441	100.0
342.11725	12.0
373.09399	1.1
373.14038	14.0
373.18564	1.2
374.14105	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03445	2.0
58.00598	1.6
59.01384	100.0
60.01706	1.3
71.01387	45.2
71.43493	0.9
72.01711	1.2
72.99313	2.3
73.02956	3.3
74.02472	1.1
79.60353	0.9
83.01397	2.5
85.02953	9.2
87.00891	5.3
89.02452	53.9
90.02778	1.4
95.01400	4.1
96.96015	3.0
97.02946	1.7
99.00886	2.4
101.02451	30.2
102.02850	0.9
103.00375	2.0
107.05081	1.1
109.02943	1.5
113.02461	19.1
115.00380	2.3
116.05352	0.9
119.02658	1.6
119.03508	28.6
121.02985	2.5
123.08103	1.0
130.56096	1.3
131.03519	3.2
133.02959	1.4
135.04544	7.3
137.09598	1.1
143.03525	5.0
145.06227	1.8
149.00916	1.4
149.02441	1.0
149.04785	1.3
149.06093	11.9
149.09720	11.9
151.03990	2.1
151.07611	1.3
152.04851	1.2
161.02461	3.5
161.04498	6.8
167.10829	7.0
170.56482	0.9
175.02518	1.2
175.03976	1.6
175.89168	1.1
177.01956	3.1
179.03639	1.0
179.05597	7.0
183.07896	1.0
192.07953	1.2
193.05054	2.8
193.08658	5.5
197.11806	1.5
211.06163	7.9
211.09709	4.5
219.02945	2.7
233.04581	1.9
237.04074	3.8
241.10748	1.4
241.98088	1.1
277.03644	3.2
293.06833	1.5
337.05637	7.4
373.15088	19.4
374.15408	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	373.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03456	1.1
59.01386	100.0
60.01714	1.3
69.97945	1.8
69.98310	1.7
71.01392	47.8
72.01721	1.5
72.99326	2.2
73.02944	3.9
73.04076	1.5
74.02478	2.2
76.41164	1.0
83.01387	3.6
85.02958	9.1
86.36053	0.9
87.00887	5.1
89.02457	56.8
95.01395	3.5
96.96006	2.7
98.16905	0.8
99.00883	1.6
101.02453	29.3
102.02743	1.2
103.00346	1.4
106.85332	1.0
107.05022	1.3
107.53841	1.1
113.01711	1.6
113.02458	21.0
115.00342	2.2
116.07197	1.4
119.03514	27.8
120.03827	1.3
121.02934	2.8
123.08190	1.2
125.02447	1.2
128.03487	1.0
131.03528	2.6
133.02956	1.2
135.04535	4.0
143.03539	4.4
149.04668	2.1
149.06082	8.4
149.09718	9.7
151.03995	1.8
151.07715	1.1
152.01208	1.0
161.02449	2.9
161.04581	7.0
165.05502	0.9
167.10806	6.1
175.02512	1.3
177.01921	3.1
179.04176	1.1
179.05598	7.0
192.07928	1.4
193.05064	3.1
193.08733	6.2
197.11908	1.5
211.06218	4.5
211.09715	3.6
219.02928	2.4
233.04581	2.5
237.04004	3.4
242.18669	1.7
277.03522	2.8
277.91058	0.9
303.93658	1.0
337.05618	5.7
343.19678	1.3
373.03391	1.0
373.14966	19.8
373.20883	3.2
374.15405	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	373.166
Annotation	CHEBI:68167
Peak:m/z	Relative Intensity
56.99813	1.2
57.00092	1.1
58.28981	1.1
61.98821	3.9
70.76296	1.0
71.44539	1.7
94.24193	1.1
119.05865	1.2
120.64546	1.3
121.81897	1.2
146.94713	1.1
154.11818	1.0
158.07199	1.1
161.02516	1.6
173.06042	1.1
176.01187	3.7
185.06093	8.5
186.06831	1.9
189.09225	1.8
201.05600	2.1
201.09253	2.4
202.06314	1.3
203.07161	1.3
212.04781	4.8
216.04295	2.0
229.05101	14.7
230.05836	19.2
261.07785	1.6
289.07257	4.4
298.12280	1.9
299.12906	100.0
300.13321	11.5
313.14621	2.6
314.15277	18.2
315.15454	2.6
330.14807	1.5
342.14746	1.4
343.15207	1.3
358.14273	16.1
359.14560	1.8
373.16605	48.9
374.16922	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	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03442	1.4
58.00587	1.1
59.01386	100.0
60.01711	1.4
71.01392	44.8
72.99316	1.2
73.02943	1.4
74.02465	1.8
77.69797	0.7
79.39242	0.7
83.01395	2.5
85.02973	8.6
87.00922	1.6
89.02459	53.9
90.02791	1.2
95.01403	3.1
101.02452	31.5
108.02187	1.2
109.02991	0.9
111.00889	0.8
113.02468	16.1
119.03519	24.4
124.01707	0.8
127.19937	0.8
131.03555	2.1
135.02293	0.8
136.01671	0.9
141.74323	0.7
143.03506	2.6
143.16965	0.8
147.04506	1.2
149.04526	0.9
150.41046	0.8
161.04579	1.1
163.04021	1.0
179.05592	2.3
181.12354	0.7
193.12340	5.4
200.08977	0.8
211.13480	1.2
256.63239	0.8
293.79782	1.0
298.08444	1.2
313.10913	4.5
343.11761	1.0
348.01740	1.3
358.02444	0.9
367.56100	0.9
373.13159	4.8
373.18649	27.6
373.26105	3.1
374.05618	7.0
374.18945	3.7
374.25925	1.1
386.25320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43112	0.6
57.97612	0.6
59.01385	46.7
68.44497	0.7
69.10033	4.4
83.05032	1.0
84.99313	1.0
87.00874	9.7
95.95377	0.7
97.06591	1.6
103.00382	6.8
112.98821	13.8
123.08202	3.3
128.78046	0.7
130.99873	1.6
141.09204	0.7
141.12843	1.7
149.00974	1.3
162.03351	0.8
167.14438	0.9
171.13916	1.0
176.01193	1.1
189.01961	0.9
190.02728	4.9
195.17558	2.6
223.17058	1.0
230.05890	0.9
233.04453	0.8
241.18108	100.0
242.18459	7.5
243.06769	0.9
274.71323	0.8
277.21796	4.4
295.22842	1.9
329.13882	3.3
341.10129	1.1
373.12912	9.8
373.16959	1.0
373.25955	24.3
374.13208	1.3
374.26355	3.1
383.44244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1872
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.17197	0.8
59.01383	100.0
60.01701	1.4
69.21038	4.2
71.01392	6.2
73.02956	3.2
77.67311	0.7
78.01212	0.7
81.59251	0.6
83.01392	0.9
85.02963	3.5
87.00887	0.8
98.21954	1.4
99.00919	1.2
101.02463	4.5
113.02486	2.5
139.03944	0.6
161.02426	1.0
161.04623	3.4
163.04022	1.0
173.06029	0.9
254.21469	0.7
258.46353	0.7
285.04254	1.7
329.26910	1.4
331.17715	3.4
352.95547	0.9
373.12939	1.3
373.18747	1.9
373.25885	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	373.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.1
69.77912	3.1
71.12547	0.7
73.52345	0.6
93.03462	3.0
98.22729	0.7
99.39532	0.6
104.67437	0.7
111.77488	0.7
143.27197	0.7
148.08978	1.5
150.10547	1.0
151.11351	1.0
152.94678	0.7
158.65372	0.7
160.97505	0.8
163.11293	1.0
165.12865	27.4
166.13220	1.4
175.11470	0.9
176.11967	0.9
177.12856	1.2
178.03976	0.8
194.95876	0.8
196.60933	0.7
244.10887	4.0
247.20682	12.0
248.21201	1.8
273.18573	5.1
291.19684	100.0
292.20059	10.8
313.17917	11.4
314.18561	1.1
371.85876	0.8
373.19977	11.4
373.24405	1.3
374.20200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04511	2.6
59.01390	18.2
61.98829	2.7
84.52172	2.7
89.48557	2.7
93.03458	3.1
97.06583	2.9
121.10232	18.8
125.09731	9.1
162.74303	3.2
166.30855	2.6
185.11873	14.8
185.13252	2.6
207.10095	4.4
211.13376	2.7
213.13347	3.2
245.19078	8.5
291.19693	63.6
292.19821	6.6
313.17877	100.0
314.18173	6.3
373.20056	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2598
Annotation	oscr#24
Peak:m/z	Relative Intensity
54.59149	0.5
57.03455	1.0
59.01385	100.0
60.01731	1.3
67.70766	0.4
69.18922	2.1
95.05050	0.5
97.06606	4.4
111.08167	1.4
113.09763	0.9
123.08175	12.8
139.11308	1.3
141.09267	2.7
141.12892	4.7
152.08475	1.3
171.13919	3.8
200.14247	1.4
215.47908	0.5
251.20143	0.9
277.21741	13.3
277.24667	0.8
278.22076	1.8
278.52042	0.5
295.22821	9.1
296.23276	1.2
313.23892	1.8
373.25983	76.7
374.26343	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	373.2599
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03452	3.7
59.01388	94.3
69.86115	2.5
71.05043	1.1
76.16140	0.9
79.95757	0.9
96.53414	0.8
97.06603	3.5
111.08157	2.1
123.08179	10.0
127.11295	4.2
135.04515	1.0
141.09264	1.6
149.80901	0.9
152.08434	1.7
161.02428	1.2
171.13930	5.5
185.11826	1.2
200.14290	1.4
224.82416	1.2
232.04112	1.2
251.20242	1.3
277.21744	12.4
278.22180	2.3
295.22839	10.2
313.23834	1.9
318.84482	1.1
373.25989	100.0
374.26334	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.9
58.00608	0.9
59.01385	100.0
60.01732	1.0
61.98834	5.3
62.71536	0.9
67.45168	0.6
70.36175	1.5
71.01388	24.8
72.99311	1.3
78.57367	0.6
83.01387	1.3
85.02979	2.3
87.00894	1.5
89.02457	37.1
95.01405	1.2
99.99181	0.6
101.02446	12.9
113.02455	9.0
113.03131	0.7
119.03517	15.0
131.03563	1.4
134.03790	1.7
134.06123	3.8
135.04549	2.8
143.03505	3.2
149.04602	1.4
151.44820	0.7
161.04626	2.5
164.60587	0.8
174.99295	4.9
179.03557	1.8
179.05605	5.6
189.01703	1.0
201.01790	2.0
217.00340	12.0
259.56641	0.8
262.94550	0.6
300.87918	0.7
315.06799	0.8
354.79599	0.6
374.14828	1.1
374.99594	0.9
375.06903	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	374.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41953	0.8
58.00575	0.9
59.01384	100.0
60.01734	0.9
60.93634	0.8
61.98838	27.5
66.81328	0.7
71.01386	22.3
72.99345	1.0
73.02954	3.6
80.91676	0.9
83.01434	1.0
85.02972	7.3
87.00861	1.3
89.02452	31.2
92.28333	0.7
94.28172	0.8
95.01401	2.3
96.04556	1.8
99.00928	1.2
101.02454	11.8
113.02461	13.5
114.02834	0.8
116.92923	1.1
119.03510	10.9
128.03490	0.9
131.03535	1.2
132.04529	2.4
133.02936	1.5
133.04884	1.3
134.05180	1.4
134.06142	11.8
137.99573	0.9
139.00354	1.1
139.09984	0.8
143.03490	2.4
149.04611	1.8
149.06046	1.2
151.03906	0.9
152.07149	1.4
153.01936	1.9
153.05597	11.6
154.02646	0.9
159.03012	1.7
161.04587	14.9
162.60655	0.8
168.04298	1.9
169.05151	0.8
174.99239	9.2
179.05626	13.5
194.05426	1.3
197.00917	2.0
202.08180	0.9
217.00298	30.4
248.92743	0.7
251.56677	0.8
331.10480	1.0
360.07153	1.0
374.11761	1.0
374.99167	0.9
375.09161	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	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	94.2
59.27287	13.2
65.45817	12.9
69.16025	25.6
69.16429	58.0
71.01394	36.8
73.02957	29.1
89.02451	20.8
101.02461	35.2
109.02921	16.1
119.03472	13.4
134.03687	14.0
145.02995	12.0
149.02444	44.0
150.03224	99.2
161.04489	14.1
162.23990	12.9
165.05600	100.0
177.03996	13.2
179.03304	24.1
179.07080	20.0
186.03816	14.0
193.05072	17.2
194.05322	23.1
195.06615	46.4
213.11523	15.3
269.35660	14.3
327.12537	31.9
333.19308	16.1
342.11612	21.4
375.14389	58.2
375.19925	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.6
71.01384	5.9
101.02407	4.2
109.03011	8.1
121.02970	20.9
122.03712	7.9
134.03760	9.3
146.03761	7.9
147.04449	4.0
149.02449	100.0
150.03246	64.6
151.03949	4.1
162.03210	4.0
164.04800	22.3
165.05569	64.7
179.03351	3.1
179.07150	5.0
180.04085	6.8
194.05441	5.7
195.06607	25.1
217.00369	6.0
218.26022	3.4
237.81726	3.2
252.56563	3.2
259.06174	5.4
312.10046	22.0
327.12393	69.6
374.17181	5.5
375.14771	21.0
375.19394	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	374.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54197	16.9
59.01388	100.0
61.98839	52.9
68.99828	26.7
70.48367	27.7
70.48702	17.6
71.01357	20.2
73.35441	17.5
78.41592	16.0
80.17551	16.6
83.49019	15.1
107.85818	15.6
108.02211	39.8
114.05608	32.4
123.04559	27.3
149.17586	14.0
177.05661	31.3
178.02701	24.3
190.33939	18.7
193.05075	47.6
217.00293	64.4
243.12343	39.7
243.15999	31.4
294.10760	19.9
305.95786	18.2
315.18176	21.4
333.19406	30.9
374.13544	37.5
374.22159	29.2
375.14801	37.8
375.20230	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09599	0.2
59.01391	1.7
61.98837	0.3
62.24442	0.2
69.47833	0.2
97.02961	0.5
101.06085	1.3
124.07690	0.7
131.30974	0.2
149.07240	0.2
165.10246	0.3
174.99271	0.6
189.10318	0.5
205.12195	0.4
206.12973	0.2
217.00296	1.8
232.10921	10.9
233.11276	1.0
272.17822	0.2
289.17950	2.0
290.18765	2.7
316.16705	2.0
318.18182	0.5
343.19321	0.2
358.21365	1.1
373.55716	0.2
374.24509	100.0
375.24838	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	374.9923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	82.3
60.01728	0.9
61.98833	0.6
63.64988	0.4
67.77056	0.3
68.01412	0.3
71.62978	0.4
73.86636	0.4
90.97168	0.6
118.96645	0.4
132.98241	2.5
156.99988	0.6
159.25232	0.4
174.99263	34.0
175.99594	1.0
191.02351	0.5
201.02609	2.8
202.02791	2.2
202.04396	0.4
203.02332	0.9
214.89647	0.4
217.00320	100.0
218.00636	4.2
231.97758	0.5
274.34976	0.4
290.97296	0.5
314.99063	0.4
374.99341	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	374.9925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30981	0.5
59.01384	87.4
60.01728	1.4
61.98839	6.9
69.03460	0.5
70.04481	1.3
70.04832	0.8
71.01389	4.7
72.99316	0.8
73.02954	0.6
77.75732	0.5
78.95905	7.8
85.02957	0.9
87.00900	0.8
89.02464	5.9
90.97157	0.7
96.96019	0.6
96.96973	14.0
98.99394	1.1
101.02462	2.0
102.98911	0.6
103.00784	0.5
107.05072	0.6
112.07759	0.5
113.02479	2.2
117.03448	0.5
118.58399	0.5
119.03529	1.4
125.00911	0.7
125.69238	0.5
126.98914	1.3
127.02541	1.9
132.98196	2.7
133.03070	0.8
134.06154	1.5
140.60576	0.5
141.00473	5.4
145.02968	1.6
145.34006	0.5
146.03685	0.6
149.02440	1.4
150.03255	1.9
151.02544	1.0
153.00430	1.0
155.02002	1.6
161.02493	1.7
162.03239	1.8
165.05566	3.0
168.99899	1.3
169.03563	0.7
171.01509	2.0
172.98607	0.9
174.99261	32.0
175.99599	0.8
177.05627	1.5
179.01967	0.9
179.05565	0.7
183.99176	0.5
195.06569	1.1
197.03088	0.7
213.02554	2.3
217.00314	100.0
218.00656	4.2
227.06731	0.9
233.00706	0.8
242.79457	0.5
271.06573	0.9
315.05789	16.8
316.05841	2.7
332.98193	1.8
374.99142	3.5
375.07458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	7.3
59.01384	57.7
61.98824	5.1
69.03461	4.0
71.01364	12.9
74.02457	9.2
74.99094	4.9
87.00870	6.9
89.02450	7.1
95.04999	5.3
96.04545	7.4
96.96024	8.9
97.04069	8.5
99.05634	10.9
101.02441	11.0
105.03426	7.5
105.99706	3.7
108.04588	6.3
110.02431	4.8
111.17487	3.9
112.04051	10.6
113.02448	17.5
115.03928	6.9
119.03490	3.9
124.04041	8.5
125.02485	4.5
127.05129	8.2
131.07135	8.4
133.02971	57.4
135.04556	27.4
137.02400	4.6
140.07169	16.5
147.01208	14.4
150.04362	4.3
150.05623	5.9
151.03955	5.9
151.07715	7.5
155.08244	19.5
161.02484	11.3
163.66623	3.5
165.06654	14.5
169.08672	8.8
174.99217	12.1
177.01947	100.0
178.02365	6.9
178.88420	4.4
179.03462	14.3
183.07784	30.6
188.25726	4.1
195.10201	6.0
201.01733	4.7
213.07726	12.7
217.00339	45.8
227.04547	5.7
227.06740	68.2
259.03790	5.6
288.52823	4.8
293.12454	5.7
339.07297	5.7
375.07156	33.7
375.12088	5.3
375.16519	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	375.087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	8.9
59.01381	40.9
61.98816	4.2
69.03433	6.0
69.46740	2.0
71.01381	2.7
71.05006	2.4
71.43063	2.5
74.02482	9.2
79.08143	1.9
83.01392	3.7
85.02954	4.0
87.00862	3.8
89.02473	4.2
93.03456	3.5
96.04550	6.3
96.96021	2.2
97.04092	9.8
98.02457	3.4
99.05630	12.3
100.00390	6.3
105.99657	5.7
108.04560	9.3
109.04042	2.7
110.02411	2.4
112.04057	9.8
112.07719	11.7
113.02453	17.6
113.03570	5.5
115.04008	10.0
116.01752	2.7
122.06127	5.4
124.04077	9.7
125.03562	2.9
125.04805	6.4
126.05593	5.4
127.05169	12.3
132.98093	2.2
133.02991	15.6
134.03763	16.2
134.04660	3.2
135.04538	59.0
136.04810	2.6
137.02431	2.5
137.07161	4.7
138.05618	2.1
140.07169	13.8
143.04677	2.4
147.01228	20.0
150.04315	2.3
152.03535	3.3
155.08278	27.0
157.05150	3.0
158.02740	2.4
161.02455	28.3
165.06714	13.9
174.99239	14.5
177.01924	3.2
179.02068	2.8
179.03499	33.2
181.06187	3.8
183.06270	2.9
183.07758	43.8
184.08047	3.7
189.01645	9.7
191.05563	5.5
200.03900	2.9
201.01678	25.1
209.05688	4.4
217.00313	46.8
217.95763	1.8
218.00652	1.9
225.05182	3.1
227.06746	86.9
228.06995	5.2
259.03979	5.8
293.08804	2.2
293.12146	2.9
357.05853	1.9
375.06949	100.0
376.07245	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	375.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.1
61.98834	100.0
67.13272	0.6
69.30325	0.9
69.30715	1.9
71.01392	0.6
75.06454	0.5
89.02494	0.8
109.02971	0.6
114.95459	0.6
133.04909	0.7
134.56580	0.5
136.01666	1.1
137.02417	0.6
137.34492	0.5
152.85728	0.5
153.01907	1.0
153.05650	1.1
174.99225	3.0
197.01224	0.6
213.07701	1.2
217.00314	8.1
219.97926	0.6
303.04987	0.8
374.99466	0.9
393.56805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	99.0
61.98835	100.0
63.12939	0.8
64.87273	1.0
70.08161	1.0
71.01362	2.7
73.02956	1.2
76.99802	0.9
80.13849	1.0
82.30094	0.8
85.02934	1.5
89.62218	0.9
101.02470	1.9
107.05007	1.3
113.02501	1.6
116.92818	0.9
120.02187	2.4
123.04551	1.1
125.02440	1.1
137.88512	0.9
138.03241	4.1
153.05583	47.3
154.05948	1.4
161.04572	3.0
165.01802	1.0
167.03479	1.4
174.99216	8.0
179.03416	1.1
217.00313	25.2
218.00494	1.1
316.06955	1.1
375.09079	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	375.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	74.3
60.01728	1.4
61.98831	5.1
67.59003	0.5
68.14775	0.6
71.01393	5.1
71.09537	0.5
72.99324	0.8
78.95913	3.6
85.02964	1.2
87.00892	1.2
89.02449	7.9
96.96964	4.7
98.99413	1.5
101.02448	2.3
113.02454	2.3
113.03540	0.5
114.98917	0.5
115.02558	0.9
117.03448	0.6
119.03508	3.5
124.04018	0.6
125.00945	0.9
127.02563	1.9
127.05110	0.7
128.02519	0.5
131.03539	0.9
132.98193	1.8
133.02989	1.0
134.06125	0.9
135.04483	1.1
141.00471	4.7
142.00580	0.7
143.03485	0.6
145.02963	2.4
146.03783	0.7
147.04579	1.0
149.02467	2.5
150.03223	5.3
151.02513	1.1
153.00444	1.6
155.02000	0.9
156.99931	0.9
160.97786	0.6
161.02470	2.8
162.03267	2.8
164.04817	1.6
165.05576	9.2
168.99889	1.2
169.03679	0.6
171.01538	2.8
174.99257	27.3
177.05557	1.8
179.05573	1.0
180.04385	1.0
183.07724	0.9
183.99319	0.6
195.01411	0.9
195.06625	2.0
195.67334	0.6
197.02902	0.8
201.02455	1.3
205.03513	0.8
213.02560	1.9
217.00311	100.0
218.00682	4.4
227.06738	1.6
301.02005	0.7
315.05768	19.8
316.05905	3.0
327.10693	0.6
332.98090	1.2
374.99298	4.3
375.07162	2.2
375.11920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40553	0.9
54.46210	0.9
55.01881	0.9
55.96780	1.0
57.03451	0.9
59.01384	100.0
60.01701	1.4
61.98844	6.1
62.63606	0.8
69.11829	0.8
71.01385	26.4
72.01730	1.0
72.99303	1.5
73.02938	1.7
78.95921	2.5
83.01388	2.1
85.02946	3.9
87.00898	4.7
89.02448	34.8
90.02809	0.8
95.01408	1.8
96.96988	0.9
98.99420	1.3
99.00875	1.7
101.00956	1.2
101.02451	13.9
102.02774	0.9
102.76137	1.0
108.02158	2.4
113.02464	10.2
115.02515	1.4
117.03484	4.9
119.03519	11.4
119.04976	1.5
121.02946	1.3
123.04506	1.5
125.00979	1.4
125.02442	0.9
126.98892	1.1
127.02495	1.8
128.65726	0.9
131.03592	1.1
132.98206	2.9
133.01614	1.5
133.02985	1.3
135.04497	1.6
139.02429	0.9
141.00484	4.6
141.01468	0.8
141.04156	0.8
143.03488	1.3
145.02960	19.6
146.03773	5.8
147.04550	5.9
149.04543	1.3
150.03149	1.7
150.04210	4.8
153.00526	1.1
161.02454	17.7
161.04544	1.9
162.03249	25.7
163.03734	1.8
165.05551	3.1
168.99962	1.4
171.01466	2.4
174.99265	22.4
177.05582	14.0
179.05594	3.6
180.04262	4.0
180.26198	0.8
183.01459	2.6
195.06635	8.8
197.03027	1.2
213.02466	1.7
213.07654	0.9
217.00310	74.8
218.00662	3.6
221.28096	0.8
271.06744	1.3
279.25122	0.9
315.05710	17.8
316.06235	1.9
332.97934	1.0
350.16943	1.2
357.11917	2.7
374.99207	3.2
375.07523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93835	0.4
57.03445	1.4
59.01384	26.3
69.32125	0.8
69.32390	2.7
71.01374	0.8
71.05048	0.6
73.02944	2.3
83.04993	0.7
87.00884	5.8
98.21852	0.8
101.02420	1.2
112.98790	0.7
119.03475	0.7
129.05608	0.6
137.09775	0.7
139.11302	19.3
140.11613	1.0
163.11282	0.9
165.09271	0.7
172.13345	0.5
180.75005	0.5
181.12350	9.9
183.10269	23.2
184.10631	1.5
199.13364	5.1
225.11345	6.3
243.12378	100.0
244.12709	7.6
256.13919	0.5
297.11264	1.0
327.12430	0.8
333.19165	2.3
375.12912	2.9
375.20126	1.0
378.72385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.1
58.00587	0.8
59.01383	45.0
62.43404	0.6
69.03436	0.9
71.01395	3.7
71.04995	1.7
71.43709	0.8
72.99306	1.2
73.02942	6.5
75.00855	2.5
80.41996	0.5
81.53116	0.6
83.01366	0.7
83.05019	1.2
85.02934	1.9
85.06569	2.6
87.00902	5.2
87.04479	0.8
89.02420	1.1
95.05031	1.2
97.02916	0.7
97.06615	2.7
99.00825	0.7
101.02431	2.6
101.06084	3.4
103.00381	0.7
106.24612	0.7
107.04990	1.2
108.02161	1.1
109.02927	0.8
109.06577	2.1
111.08114	1.1
112.98757	0.9
113.02438	1.2
115.07640	1.8
122.06104	2.3
123.04502	1.1
123.08131	0.9
124.07645	0.9
125.02431	0.6
125.06110	5.2
125.09731	2.9
127.07732	0.9
128.65186	0.6
133.02928	0.7
135.04570	1.0
136.07678	3.5
137.09705	0.8
139.11305	18.7
141.09189	1.9
145.08755	4.0
149.00911	5.3
150.03273	0.8
151.11385	0.6
153.09209	1.7
155.10767	1.6
161.02438	1.1
161.07185	1.1
162.03221	0.9
165.09181	1.0
166.06334	0.6
168.06647	2.5
174.09012	1.3
177.04063	0.8
177.05516	1.0
178.02676	1.1
179.03458	0.7
181.12354	9.2
183.10280	20.0
183.92386	0.6
184.10594	1.6
193.05009	1.1
199.13446	4.9
199.17043	1.8
205.15903	1.0
217.00323	1.9
221.15556	0.8
225.11348	7.0
226.11699	0.7
233.15387	1.4
243.12387	100.0
243.15955	8.1
244.12735	8.0
244.16354	0.7
249.14932	0.7
250.12032	0.6
269.17557	1.0
271.19193	3.9
285.12445	5.1
286.12744	0.7
303.13519	1.6
315.18137	11.8
316.18433	1.0
333.19208	39.5
334.19614	4.3
345.13147	0.7
375.08597	0.8
375.12839	1.9
375.16434	1.7
375.20316	28.1
376.20868	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1315
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
55.01880	1.4
57.03448	1.0
59.01385	25.5
61.98828	0.5
71.01391	12.1
72.99319	0.8
73.02947	2.9
83.01396	2.6
83.05064	0.5
85.02966	4.6
87.00885	1.3
89.02454	9.2
95.01384	1.4
97.03044	0.5
99.00893	1.4
101.02455	9.8
113.02470	4.3
115.00434	0.4
115.49656	0.5
119.03526	5.1
121.02982	0.6
131.03485	0.5
135.04584	0.8
143.03537	0.7
144.08176	1.3
145.07686	0.5
149.02530	0.7
153.09152	0.7
159.02914	0.6
161.02483	0.8
161.04539	1.8
167.69890	0.5
169.07707	1.1
177.09201	2.1
179.05618	1.4
180.84541	0.5
184.08853	2.5
195.10399	0.7
197.05916	1.3
198.06744	3.0
199.13646	0.5
212.08318	22.2
213.08658	1.5
213.11299	0.8
217.00328	1.7
240.06573	4.2
241.07327	11.7
242.07832	0.9
243.12384	1.9
255.08896	100.0
256.09253	7.5
257.10471	1.2
309.77368	0.4
315.17929	0.7
333.19168	1.4
357.15564	6.8
358.15607	0.9
375.06989	0.9
375.12915	3.3
375.16614	20.5
375.21210	1.2
376.17148	2.5
398.56104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69550	1.3
59.01381	9.7
69.59614	5.9
73.02971	1.4
81.23926	1.4
93.03454	4.1
95.05036	2.8
97.02969	2.5
121.02978	14.8
122.03767	8.8
133.02933	1.6
135.04533	2.5
146.03717	8.3
147.04530	4.5
149.02460	100.0
150.03247	61.1
151.03716	2.3
161.06087	2.0
164.04811	21.8
165.05580	68.0
166.05894	3.4
179.07198	8.4
180.04320	4.3
195.06619	28.6
217.00337	8.0
237.09225	2.1
268.07269	1.9
283.09604	2.6
297.07657	2.5
312.10071	29.0
313.10440	2.6
321.72040	1.5
327.12396	83.0
328.12741	10.8
375.07169	2.1
375.20413	3.2
376.22305	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	375.1453
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
57.03435	1.5
59.01387	4.7
64.78107	0.9
67.85529	1.0
68.99825	11.3
69.15114	6.0
70.99853	1.1
81.03429	1.1
83.05051	2.7
100.19091	1.2
108.02182	30.4
108.02911	1.8
109.03009	5.0
115.05642	1.0
117.03452	1.8
118.04298	4.8
120.02163	1.1
121.02967	6.0
122.03738	4.9
123.00906	6.5
123.04534	22.8
130.00816	0.9
132.02200	4.5
133.03033	2.5
134.03758	1.8
135.04536	1.7
138.03250	9.4
145.02950	1.4
147.04553	2.1
148.01674	2.5
149.02490	3.0
150.03236	19.2
151.03749	1.5
153.05640	1.7
161.02470	9.3
162.03250	23.4
163.04042	10.6
164.01201	2.3
164.04802	2.2
165.01926	1.9
165.05615	1.9
166.06366	18.4
167.06734	1.4
173.02394	1.0
174.03276	1.1
175.04076	1.5
176.01181	2.9
177.02045	1.6
177.05577	31.2
178.01176	1.8
178.02739	33.2
178.05962	2.1
179.03474	9.4
180.04289	1.2
180.41885	1.1
181.08713	7.1
187.37837	1.0
189.01974	5.6
190.02724	30.1
191.03239	3.2
193.05080	50.5
194.05791	10.7
201.01952	2.9
203.03540	2.6
204.04230	1.3
205.01431	1.4
205.05032	4.9
217.00314	3.0
217.05026	3.5
218.02280	2.4
219.03015	2.0
221.08232	1.9
222.01816	1.5
231.02977	4.9
233.04666	2.6
233.08228	1.3
245.04539	1.5
257.08249	1.3
259.06271	1.7
261.07684	2.2
285.07864	1.4
301.07419	1.0
301.10895	1.7
313.10721	1.6
315.11520	1.1
330.11032	2.7
331.11542	1.3
345.13391	26.9
346.13779	1.8
360.12238	2.9
375.14505	100.0
376.14801	11.7
399.52225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15750	1.1
50.60709	1.0
59.01377	12.7
64.31487	1.0
64.78194	1.0
69.26577	1.1
71.94558	1.2
98.22760	2.5
104.02686	9.4
117.03448	2.2
118.04269	13.3
120.02164	1.4
132.02216	1.2
133.02972	3.4
134.03717	3.3
135.66389	1.3
145.02960	11.4
148.01675	9.6
150.03241	2.6
151.03917	1.7
161.02441	4.3
162.03221	13.3
173.02362	2.9
174.99258	4.4
176.01154	57.6
177.01828	8.4
178.02722	4.0
179.03445	1.4
179.74332	1.2
189.01932	32.7
190.02725	71.4
191.03470	20.7
203.03545	3.3
204.00644	1.8
204.04260	11.2
205.01416	11.1
205.05077	14.0
206.02222	15.7
211.07626	1.4
213.05704	1.3
217.00266	10.3
217.01616	5.3
217.05132	2.0
218.02069	2.7
219.03026	2.0
221.04581	2.0
222.01697	6.2
227.07065	2.1
229.08658	1.4
232.03781	1.7
233.04506	3.1
236.03203	7.2
242.18394	1.4
243.06618	6.9
243.18538	2.0
245.04619	2.5
256.07376	7.6
257.08182	5.9
258.08951	1.9
259.06277	2.6
260.06824	2.0
271.06177	3.7
271.09775	7.3
273.07654	3.0
275.09283	3.6
314.11713	2.7
342.11191	6.5
343.11581	2.3
357.13339	19.7
360.12183	6.7
375.14481	100.0
376.14777	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	375.1452
Annotation	Daldinal C
Peak:m/z	Relative Intensity
50.18581	1.0
52.26802	1.5
57.76849	1.8
59.01385	18.5
61.98830	1.2
65.22491	1.1
69.29514	6.9
80.20962	1.1
82.15237	1.3
103.00333	1.5
104.02690	10.5
112.98827	1.9
118.04251	1.3
120.02126	2.0
133.02933	1.5
148.01662	13.0
149.02405	1.9
150.03250	1.6
161.02489	3.1
162.03268	3.8
174.99269	6.0
176.01166	69.0
177.01920	10.3
178.02713	4.8
189.01973	5.0
190.02734	7.0
191.01915	1.9
191.03523	24.2
204.04315	2.0
205.01437	24.6
206.02225	19.7
217.00308	19.7
217.05183	1.5
219.03059	2.2
221.04639	2.8
222.01747	1.7
233.04726	1.7
243.06735	3.1
243.19746	7.3
259.06116	1.5
289.14465	1.3
331.15353	1.8
343.11823	3.3
349.07880	1.4
360.12137	11.6
360.16129	2.2
375.14484	100.0
376.14801	13.8
385.61823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
59.01378	8.5
69.69188	0.8
69.87120	2.5
83.05030	1.4
83.40965	0.9
84.62648	0.9
85.47543	1.0
89.58556	1.0
95.15931	0.9
96.23351	0.9
98.21971	1.1
117.03451	1.3
118.04253	13.5
119.05047	2.6
121.06618	5.5
122.03739	1.5
134.03770	2.4
136.52864	0.9
137.02534	1.0
145.02966	10.1
148.01697	1.4
149.02451	2.6
150.03275	1.7
161.02448	3.7
162.03244	20.4
163.03731	1.0
173.02441	3.2
174.03252	1.5
174.99220	4.4
176.01144	5.7
177.01985	6.0
178.02733	3.7
185.06209	1.3
188.04813	1.7
189.01939	35.8
189.03607	2.1
190.02719	100.0
191.03140	6.3
193.05066	1.9
199.03941	1.0
201.01917	4.7
201.05682	0.9
202.02719	11.3
203.03531	5.9
204.04288	14.6
205.01445	2.6
205.05038	9.1
206.02187	2.8
207.13870	0.9
214.06416	1.4
216.04251	1.4
217.00252	6.4
217.01656	5.5
217.05017	15.5
218.02147	2.8
218.05368	1.1
218.10628	0.9
219.03056	1.5
221.04642	1.4
222.01694	19.3
227.07089	1.7
229.05013	1.5
230.05936	1.4
231.03041	2.6
233.04590	4.1
236.03244	11.2
241.05042	1.0
241.08612	1.4
242.05824	1.8
243.06644	5.8
244.03818	8.9
245.04422	2.2
254.43631	0.9
255.06587	3.6
257.08200	1.8
258.05347	2.0
259.06122	12.0
259.34171	1.1
260.06790	1.5
267.06699	2.5
269.08261	1.7
270.05319	6.2
271.06131	21.8
272.06680	3.5
273.07739	4.1
281.08395	2.1
283.09500	1.4
285.07706	31.7
286.08145	2.8
299.09265	10.3
300.09894	1.4
315.08911	2.3
315.12308	1.1
325.10681	1.5
328.09625	2.9
329.10208	1.3
332.12585	2.0
339.12347	1.5
341.14087	2.8
342.11111	3.0
343.11862	90.7
344.12128	10.4
345.13367	1.2
357.13422	5.1
358.14212	1.6
360.12189	5.9
375.14554	51.5
375.26773	1.8
376.14847	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	375.1453
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
59.01393	8.6
69.50791	7.8
70.75372	1.5
71.01391	4.3
72.07011	1.7
76.29648	1.8
79.99298	1.6
93.03471	4.1
95.01392	2.1
95.50964	1.7
97.06685	1.8
98.22647	4.0
101.02426	3.0
121.02975	13.6
122.03746	12.2
133.02919	3.0
146.03766	7.6
147.04523	2.0
149.02455	100.0
150.03247	63.3
151.03850	3.2
164.04822	22.9
165.05583	68.9
166.05966	3.2
177.01881	2.7
179.07158	9.5
180.04259	2.7
190.02777	2.6
195.06642	25.7
251.07195	1.8
255.10242	2.3
269.08099	2.1
281.08289	2.0
283.09772	5.1
312.10114	24.6
313.10535	3.2
327.08524	4.1
327.12408	77.4
328.12738	7.8
333.19196	2.3
375.14508	12.7
375.20129	5.2
385.23956	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	375.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03425	0.8
57.42910	0.6
59.01385	79.4
59.77720	0.8
60.01706	1.3
71.01389	34.0
71.04772	1.1
71.65957	0.7
72.01727	1.0
72.99325	1.8
73.02956	3.9
80.75462	0.7
80.84546	0.7
83.01396	3.1
83.48180	0.8
85.02962	6.8
86.41989	0.7
87.00887	2.3
89.02454	35.1
89.23649	0.7
95.01401	2.8
95.05040	6.0
96.96030	8.0
99.00892	1.4
101.02450	22.8
109.02937	1.2
113.02456	12.5
119.03508	14.0
121.03003	0.8
125.02430	0.8
135.04541	1.3
135.08185	3.9
139.38948	0.8
143.03555	1.4
144.41312	0.8
149.06050	1.3
149.09731	1.0
151.07652	1.4
151.11299	10.1
161.04547	0.9
169.08780	1.6
174.99207	1.0
179.05594	1.7
189.12901	1.2
195.10263	10.5
213.07692	1.0
213.11354	2.1
217.00298	3.9
243.12434	0.8
251.12860	1.6
295.11923	1.5
333.19083	0.9
375.07822	5.3
375.16632	100.0
376.16989	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	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.8
57.03439	4.5
59.01384	85.2
69.72287	3.8
71.01385	48.9
72.01742	1.4
72.99313	1.4
73.02941	11.9
83.01385	7.5
83.05013	1.4
85.02961	19.9
86.00121	1.8
87.00894	3.8
88.00757	1.2
89.02449	39.1
95.01395	3.9
99.00892	4.2
99.52197	1.3
101.02448	42.9
109.02983	1.3
111.00931	1.5
113.02457	20.2
119.03515	19.6
125.06046	1.7
129.01939	1.8
133.10286	1.2
143.03470	1.7
149.04578	1.6
150.03217	1.2
151.04010	2.2
151.11247	1.5
161.04607	5.7
167.45186	1.2
169.12350	2.0
173.31404	1.4
177.09206	9.0
179.05641	6.2
179.06978	1.3
192.68991	1.3
195.10252	2.2
197.11847	1.7
199.13521	1.7
213.11288	3.7
217.00336	5.8
225.49095	1.2
243.12361	3.0
255.08931	4.4
315.18134	1.6
331.17249	1.3
333.19223	4.9
345.13641	1.4
357.15579	31.9
358.15906	4.0
375.16611	100.0
376.05032	1.3
376.17014	10.2
384.61725	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.9
60.47433	1.0
69.58361	5.4
71.01389	10.6
80.91690	3.2
91.06413	0.9
99.92587	3.5
164.08452	1.2
166.94130	1.0
174.45079	1.0
174.99254	4.2
177.09232	4.0
190.10051	3.3
192.11562	7.9
193.12108	1.5
205.12326	5.8
217.00363	9.2
217.08583	1.4
218.09436	2.0
220.14708	40.6
221.15474	100.0
222.15813	8.9
222.46599	1.2
229.16008	1.3
231.17453	1.7
232.17683	1.1
236.10558	85.9
237.11040	6.1
292.11298	1.1
293.17606	36.9
294.17914	3.5
297.99918	1.2
318.09518	7.3
321.15668	3.8
358.08771	3.4
375.17825	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	375.1817
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
59.01382	7.1
59.05624	0.6
61.98817	1.1
65.16385	0.7
70.77409	0.8
117.03516	0.8
133.02969	20.0
134.03720	2.1
135.04543	23.9
136.04861	0.8
161.02460	100.0
162.02834	5.3
174.99289	2.4
179.03520	7.1
179.29941	0.6
183.13933	1.8
190.53688	0.7
195.13905	2.5
213.14946	7.3
217.00317	11.1
285.02206	0.7
357.16812	1.2
375.18146	31.4
376.18329	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	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20893	0.6
63.72370	0.6
67.40503	0.6
69.32431	0.5
69.75536	2.1
71.27715	0.6
74.99074	3.2
83.55101	0.6
93.00126	0.8
141.07465	0.6
143.05342	1.0
149.00948	0.9
150.54686	0.6
159.08478	9.0
161.06380	2.6
192.98239	1.0
208.26811	0.6
209.01257	3.4
217.07262	1.4
275.05936	0.9
277.07541	2.3
289.07581	2.0
291.09122	92.7
292.09256	12.4
309.10028	1.1
345.64789	0.7
357.13858	2.7
359.15378	100.0
360.15561	15.0
375.18494	5.5
376.18652	1.1
377.16428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10288	0.6
74.11112	0.4
74.88644	0.4
74.99080	2.7
93.00139	0.5
143.05328	0.4
149.00992	0.6
159.08479	10.4
161.06407	2.7
175.73422	0.4
192.98192	0.8
209.01276	2.3
217.07133	0.7
275.06024	0.9
277.07492	2.3
289.07513	1.9
291.09109	95.2
292.09186	13.7
309.10229	0.9
309.59262	0.4
357.13953	2.1
357.17703	0.4
357.69775	0.4
359.15363	100.0
360.15546	17.4
375.18530	5.3
376.18741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94187	1.7
59.01385	19.8
69.20626	4.0
69.21034	5.6
70.04082	1.6
73.92551	1.5
75.00877	3.3
96.96061	1.7
97.93143	4.9
98.22598	3.9
103.23569	1.5
113.92619	1.9
114.93363	3.5
167.07027	1.9
259.20737	2.3
277.21747	100.0
278.21933	9.5
346.90598	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	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41872	0.2
55.01875	1.0
57.03456	0.7
58.00599	0.7
59.01384	63.9
60.01721	0.6
69.20094	1.6
71.01389	25.5
72.99319	0.9
73.02961	1.7
83.01406	2.0
85.02959	6.6
85.03475	0.4
87.00890	0.6
89.02451	21.3
90.02800	0.3
95.01379	2.3
98.22719	0.6
98.57542	0.3
99.00902	0.6
101.02447	14.5
102.02821	0.5
113.02453	10.2
116.92886	0.4
119.03520	7.0
131.03511	0.6
142.40466	0.3
143.03552	0.4
149.04527	0.4
155.96014	0.3
174.99295	0.6
177.12837	0.4
183.13921	1.2
195.13911	10.7
196.14314	0.6
213.14990	7.6
214.15419	0.5
217.00325	1.9
289.03882	0.6
338.42612	0.3
357.19427	0.6
375.20255	100.0
376.04642	0.4
376.20605	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	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33443	1.0
59.01386	100.0
69.63068	1.1
69.63428	3.4
71.01385	2.8
89.02444	3.7
90.85863	0.9
98.21940	2.0
109.79142	0.9
113.02433	1.2
131.35846	0.9
164.54552	0.9
174.99257	3.9
207.26891	0.9
217.00317	14.6
285.11136	1.1
301.20114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20082	0.5
58.99405	0.5
59.01383	32.6
60.93353	0.5
70.93919	0.8
72.99303	1.4
73.33242	0.5
73.87805	0.5
84.99309	1.7
87.00883	14.2
89.99964	0.5
90.24889	0.5
103.00389	10.7
105.05361	0.5
112.98820	22.6
130.99849	2.2
149.00900	1.4
149.02516	0.6
149.40273	0.6
153.52646	0.5
162.03210	0.7
174.99239	2.9
177.01917	0.7
178.02641	0.5
187.14522	0.7
189.01945	1.1
190.02817	2.5
192.23901	0.5
197.19070	2.4
217.00301	8.2
218.00424	0.6
221.04369	0.6
223.01921	0.6
225.18611	1.2
233.04553	1.3
241.18120	0.6
243.06697	0.9
243.19659	100.0
244.19992	7.3
265.24973	0.5
375.14661	5.1
375.19778	3.6
376.14804	0.8
376.20764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01717	1.2
69.40910	4.2
71.01385	6.8
73.02940	4.0
77.91019	0.8
83.01387	1.2
85.02959	2.0
89.02450	6.2
90.80692	0.7
101.02467	4.5
101.56979	0.7
113.02457	2.6
119.03524	2.3
123.50423	0.8
135.04585	1.0
151.68896	0.7
174.99252	1.4
186.97981	0.9
203.05824	0.9
217.00282	7.2
250.35629	0.9
292.91669	0.9
375.19852	1.3
375.23938	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	375.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	35.0
72.99319	0.9
84.99363	1.8
87.00893	15.1
94.20020	0.8
94.56358	0.8
103.00393	10.7
104.02685	0.8
112.98824	23.7
130.99928	1.7
142.58545	0.9
148.01649	1.6
149.00945	1.5
174.99283	4.8
176.01151	8.1
177.01849	1.3
189.02042	1.5
190.02760	2.6
191.03487	2.7
203.03314	0.9
205.01395	2.8
206.02197	1.7
217.00270	17.7
218.02428	1.1
219.02884	1.2
222.01663	1.4
233.04788	1.0
243.06743	2.1
243.19662	100.0
244.20016	7.8
262.46011	0.9
360.12173	2.6
375.14413	17.5
375.18759	1.4
376.14941	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	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53248	2.4
59.01386	52.0
61.98825	7.0
64.03053	2.1
69.68492	7.2
73.06707	2.1
81.65615	2.3
95.05036	37.3
99.92566	4.1
108.41084	2.4
165.05730	2.4
174.99251	5.0
194.43738	2.8
195.13919	12.3
196.14751	3.0
217.00314	24.2
223.13380	8.1
246.12372	29.7
256.13184	3.5
275.20178	10.7
278.11371	73.1
279.11804	5.1
293.21252	100.0
294.21600	9.7
298.26364	2.2
315.19373	16.3
338.12125	5.1
357.79980	2.3
358.12289	4.0
375.21259	4.1
384.94012	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	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63671	2.8
55.41643	2.7
58.21456	2.7
59.01382	68.2
61.98836	5.2
70.83294	3.1
82.19054	3.1
90.50637	2.7
116.92823	5.7
118.69877	3.4
121.10249	24.2
157.01097	3.0
171.10266	64.7
172.10539	3.6
174.99190	13.7
183.10243	3.5
183.13899	4.5
217.00298	41.7
231.21208	6.7
231.62196	3.2
275.20154	95.6
276.20502	9.9
278.11432	15.3
293.21252	100.0
294.21448	14.4
297.18332	3.4
315.19391	57.2
375.14398	6.2
375.21463	36.4
376.21558	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	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	56.9
70.03952	9.1
87.74164	3.8
88.71677	2.9
91.74805	3.3
98.22601	4.3
113.09731	11.3
116.92798	2.9
181.12401	3.4
193.12352	25.4
217.00313	11.9
275.20218	28.0
293.17902	6.0
293.21237	100.0
294.21597	12.1
315.19321	5.5
375.21500	26.0
376.21884	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	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	96.3
61.98830	9.9
64.83452	6.0
71.05038	7.0
71.18307	7.3
98.06570	6.8
104.39793	6.1
130.49919	6.6
168.95329	6.2
174.99304	10.2
210.97266	8.4
217.00284	32.5
223.17043	7.3
235.17061	31.7
265.55234	8.3
275.20135	42.7
284.75677	8.3
293.21277	100.0
294.21481	13.0
359.01114	21.5
360.00690	8.4
375.21521	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76652	46.9
59.01384	83.8
61.98833	93.5
70.32842	100.0
74.40226	37.8
75.76301	44.2
96.20601	45.2
100.27569	47.6
121.39458	40.9
187.54030	44.6
217.00322	56.8
218.00620	82.1
236.07899	54.1
313.14288	71.3
328.83856	49.5
333.20557	55.6
377.15915	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01714	2.3
61.98839	8.6
69.53437	1.3
69.53844	2.1
71.01387	11.1
73.02957	0.8
75.00857	0.9
85.02969	2.3
89.02454	11.8
95.01405	0.7
101.02449	6.1
113.02471	4.8
119.03492	5.3
131.03545	0.8
143.03473	0.8
153.05565	0.7
154.08716	0.7
159.02982	1.2
161.04591	4.6
166.06010	0.9
174.99321	0.7
179.04333	0.6
179.05585	3.7
185.01283	0.7
215.03441	0.9
217.00337	1.9
218.00771	2.6
225.96646	0.6
297.13507	1.0
307.89362	0.8
316.14014	5.5
341.10861	6.8
377.08783	4.6
392.93216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
57.03425	2.7
59.01386	100.0
61.98825	7.5
63.99265	4.4
71.01389	42.5
71.02437	2.7
71.04959	2.7
73.02955	11.7
83.01405	5.1
85.02968	13.5
87.00875	2.9
89.02444	23.7
95.01408	2.4
99.00902	2.7
101.02450	29.0
113.02463	23.2
119.03489	9.7
123.93378	2.3
125.87321	8.3
129.05566	3.1
135.04475	3.5
143.03496	3.6
147.01237	3.3
154.08730	21.0
154.66907	2.5
157.86369	3.1
159.03023	4.2
160.84290	3.4
161.04587	34.8
179.03445	3.3
179.05606	5.2
215.03275	3.2
215.09210	3.3
217.00316	7.2
218.00488	3.7
218.95467	2.5
227.06766	6.5
228.07014	5.4
293.45877	3.2
316.14011	36.7
341.10956	14.3
376.07434	3.2
377.08481	9.0
377.18103	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	377.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.4
57.03447	3.2
59.01384	100.0
59.96098	1.2
60.01698	1.4
61.44559	1.3
71.01389	21.2
71.27598	1.2
73.02957	14.5
75.00875	2.3
75.32095	1.3
83.01389	4.9
85.02958	9.4
87.00905	2.4
89.02454	10.3
95.01390	2.4
97.02976	1.3
98.21797	2.5
101.02452	15.0
107.05019	3.7
109.02967	7.6
110.00256	1.3
113.02455	9.4
119.03503	4.3
121.02984	2.2
125.02457	9.8
133.02962	4.9
135.04515	2.4
136.01614	1.9
137.02448	2.3
138.03282	3.0
143.03503	1.5
145.05096	5.0
149.02422	2.8
151.00374	2.7
151.04007	2.1
159.06665	2.9
161.02495	11.1
161.04588	5.1
163.00432	1.8
171.10214	1.6
176.01225	1.7
177.01959	5.8
179.03519	22.7
189.01871	1.5
190.02693	2.7
198.11301	1.9
199.09991	1.7
215.12836	1.6
216.10226	1.7
219.02939	1.5
223.04457	1.5
227.03514	3.2
227.12950	1.5
243.03027	1.4
245.13890	4.7
255.02991	6.1
268.03662	2.4
269.04590	10.4
271.02505	7.4
271.18912	1.3
283.02551	2.0
284.03241	5.9
285.04089	12.8
286.04373	2.4
289.07278	1.6
299.01862	5.7
300.02719	7.4
301.03543	9.0
307.10321	1.6
317.16006	4.6
317.19708	3.2
335.20929	6.3
341.06671	3.0
347.11292	4.0
369.21994	1.3
377.08398	2.4
377.12604	6.8
377.17825	1.9
377.21982	15.4
395.46777	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	377.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46287	2.7
51.51289	2.9
52.06462	2.6
57.03447	3.1
59.01382	43.7
62.24831	3.0
67.44381	3.0
69.01219	2.6
69.28144	11.8
69.28545	5.1
71.01385	29.6
83.05032	7.1
89.02452	40.9
95.01414	3.3
96.95976	3.3
101.02460	34.5
105.01933	8.7
111.06456	2.9
113.02454	12.0
119.03511	15.8
134.78072	2.9
161.04546	6.1
164.41521	3.5
179.05623	25.7
185.93439	3.3
197.02217	3.5
215.03389	18.0
297.13422	6.5
330.08246	3.0
341.10938	100.0
342.11118	9.2
377.08667	56.8
378.09021	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	377.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87922	0.6
55.01888	1.3
57.03458	4.6
59.01384	21.3
67.01893	0.8
69.69114	2.1
71.01388	16.1
73.02946	5.6
75.00878	2.7
78.50034	0.6
81.03442	1.3
83.01357	1.5
83.05025	8.7
85.02950	5.0
87.00886	2.6
87.16975	0.6
89.02451	10.4
93.03476	7.0
95.01391	2.9
95.05044	2.3
97.02959	1.0
97.24509	0.8
99.00877	0.7
101.02454	100.0
102.02775	2.1
107.05043	1.9
108.02201	1.0
109.02946	3.6
111.00883	2.5
111.04532	12.1
113.02452	5.6
113.06059	1.0
115.94229	0.6
119.03522	5.6
123.04536	13.6
125.02470	1.0
125.06100	1.4
128.98653	0.9
129.02202	0.8
129.21970	0.7
131.03517	0.9
135.04523	4.3
137.02464	12.4
141.00475	0.8
141.05551	0.7
143.00175	2.1
151.04047	0.8
153.02260	0.9
153.05566	3.9
154.02655	0.8
154.05855	0.6
155.03506	3.4
161.04588	2.6
167.03496	1.6
170.99873	1.2
179.03474	3.2
179.05605	1.5
189.00888	0.7
190.92651	0.7
197.04573	1.3
198.10977	0.7
215.02338	1.5
217.00365	1.1
273.06180	0.8
317.05569	9.0
317.08856	15.4
318.05948	0.9
318.09238	1.1
377.10843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05291	1.1
59.01387	100.0
61.98827	3.5
62.74959	1.2
70.51249	1.4
71.01389	22.0
73.02941	8.4
75.00886	2.2
79.01894	5.1
81.49009	1.3
83.01402	2.3
83.05038	3.9
84.15452	1.2
85.02962	10.5
87.00899	3.4
89.02464	6.6
93.03473	4.0
95.01424	2.0
99.00884	1.9
101.02460	17.5
111.00896	7.3
111.04532	5.7
113.02454	9.8
123.04552	7.4
125.02528	1.6
129.01849	1.9
135.04521	2.1
137.02455	4.6
139.00407	3.3
140.01180	25.9
143.03477	1.7
155.03522	33.9
156.03891	1.3
159.02972	3.0
161.04593	22.7
179.03540	1.9
179.05563	1.7
266.20462	1.4
317.08823	20.9
318.08920	1.6
341.10449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	18.4
61.01810	0.5
61.98837	100.0
62.06446	0.5
71.01374	3.6
71.40131	0.5
71.62115	0.4
72.99303	0.5
73.02953	0.9
78.27267	0.4
83.05053	0.8
85.02969	1.5
89.02460	2.2
93.03466	0.5
101.02448	2.3
106.78932	0.5
109.03000	0.8
109.06663	0.4
111.00932	0.4
111.04546	0.9
113.02443	2.4
119.03513	1.0
123.04556	1.0
125.02457	0.5
135.04565	2.2
136.45802	0.4
137.02454	0.5
140.01196	0.6
155.03568	0.9
155.07182	5.3
161.04593	2.2
167.76393	0.4
179.03619	0.5
179.05670	0.5
179.07291	0.6
189.06926	0.4
215.09325	1.1
217.00388	1.0
316.36624	0.4
317.05521	0.8
317.09006	1.3
377.08496	0.9
377.14682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16717	0.9
59.01385	19.5
60.01699	0.9
61.98835	100.0
71.01398	5.9
73.02957	1.9
83.01373	1.0
83.05035	2.0
84.61929	0.6
85.02966	2.8
88.55823	0.6
89.02456	3.6
93.03476	2.1
101.02466	4.5
109.02976	1.0
111.00887	0.9
111.04556	2.6
113.02480	2.8
115.71919	0.7
119.03543	1.7
123.04546	2.6
125.46990	0.9
130.83160	0.7
135.04546	3.7
137.02498	2.1
140.01170	1.1
153.05592	1.3
155.03471	1.9
161.04622	2.9
164.94502	0.8
179.03450	0.9
215.02448	1.5
217.00436	0.8
227.02429	1.0
258.71268	0.7
317.05688	1.9
317.08923	3.6
317.14487	1.5
377.07755	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	377.1427
Annotation	Abafungin
Peak:m/z	Relative Intensity
59.01368	1.3
61.98848	3.3
69.91541	1.6
69.91935	1.3
80.52702	0.7
83.23048	0.7
84.93889	6.2
96.96029	1.7
98.21966	0.7
99.92593	75.9
100.92620	5.0
100.93374	16.3
101.93382	0.7
105.15688	0.8
110.33088	0.8
115.92088	28.5
116.92871	100.0
117.92883	6.1
119.35938	0.6
120.92345	0.7
127.95704	0.7
139.20929	0.6
142.04462	0.7
191.01344	0.7
209.53970	0.6
211.02080	0.7
234.85434	0.6
277.21698	3.3
279.22290	0.9
282.05820	0.7
290.06433	0.6
293.17960	1.7
308.07269	2.7
309.07852	0.8
333.15118	1.0
341.11133	1.1
359.13208	2.7
373.11200	4.3
377.14276	43.2
378.14420	6.9
391.11978	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	377.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
61.98819	3.9
63.06232	1.0
63.95595	1.3
70.07036	3.4
84.93871	4.8
96.96011	1.6
98.21918	1.7
99.92590	96.1
100.92616	5.5
100.93373	17.6
115.92083	34.4
116.19626	1.2
116.92867	100.0
117.92881	5.8
138.49864	1.1
184.35155	1.2
221.28513	1.2
227.00220	1.7
266.02603	3.2
267.03305	1.3
277.21713	8.5
278.22116	1.4
279.22357	1.6
293.18051	1.3
359.13153	4.3
373.11154	3.3
377.14267	54.8
377.26797	8.9
378.14529	8.3
391.12143	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	377.1456
Annotation	Lamiol
Peak:m/z	Relative Intensity
51.77866	0.7
55.57319	0.8
57.03459	4.3
59.01384	64.4
60.01715	1.4
70.63020	1.0
71.01391	8.7
73.02950	12.0
85.02975	2.5
87.00897	1.1
89.02453	7.2
91.15142	0.7
93.07086	1.7
95.05038	2.7
95.52231	0.8
96.95974	1.1
97.06593	5.3
101.02457	5.4
107.34564	0.7
111.04515	0.9
111.08186	6.2
113.02464	3.3
119.03580	1.5
121.02979	0.9
125.87341	1.4
133.00409	0.8
135.04524	1.8
135.08171	12.4
137.06104	2.3
141.05606	2.9
143.03513	1.0
153.09219	15.0
155.07156	13.4
171.10286	23.2
179.05681	0.9
179.07169	1.7
181.35498	0.7
197.08212	9.1
208.78038	0.9
215.09254	100.0
215.90289	0.9
216.09590	6.6
257.10391	4.9
308.14011	0.8
377.14508	10.1
378.14828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12412	0.8
52.16240	0.7
55.01873	0.8
57.03458	1.8
59.01126	0.9
59.01390	13.5
59.57964	0.7
71.01371	4.0
73.02954	57.9
74.03290	1.3
79.05534	1.1
83.05003	0.7
85.02957	2.0
87.00828	0.8
87.04524	1.0
89.02430	3.6
95.01437	0.7
95.05048	1.7
96.96015	4.1
97.06599	47.6
98.06951	0.9
99.00914	0.7
101.02444	2.0
108.81109	0.7
109.02947	1.1
111.00897	1.3
111.04511	1.0
113.02468	2.7
119.03524	1.3
123.04545	1.4
125.02462	2.7
125.09740	0.9
133.03000	1.0
135.04529	0.9
141.05598	40.3
141.09161	1.0
142.05850	1.4
143.03470	0.9
153.09229	16.1
155.07175	4.0
161.04527	0.8
165.45197	0.8
171.10306	10.4
177.01933	1.0
195.10439	0.9
197.08218	5.8
208.54289	0.7
215.09265	100.0
216.09558	5.2
257.10446	3.5
316.24716	0.7
317.12445	0.8
377.09030	2.3
377.14398	3.0
400.02945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01389	20.7
59.04585	1.0
59.62571	1.1
62.98559	1.0
70.98975	1.5
71.01387	10.8
72.60020	1.1
72.99313	1.0
73.02952	51.9
74.03314	0.9
79.05522	1.3
79.09203	0.9
81.03486	1.0
83.01406	1.0
85.02972	5.0
87.00876	2.0
87.04517	2.6
89.02464	6.0
95.01408	1.6
95.05029	2.2
96.96040	1.9
97.06598	50.1
101.02444	6.6
111.04507	1.8
113.02462	5.5
119.03518	3.1
119.59844	0.9
121.21613	0.9
125.09732	2.1
133.10323	1.1
135.04562	1.8
135.08195	1.0
141.05600	40.4
153.09216	17.1
161.04597	2.2
169.08818	1.1
171.10287	10.0
187.09821	1.2
197.08241	6.9
201.11476	1.3
215.09254	100.0
216.09612	5.2
245.13901	1.7
255.03040	3.1
257.10416	8.2
283.02521	2.5
284.03229	3.2
285.04083	4.8
286.04636	1.1
287.11295	1.4
296.07391	1.9
317.12439	2.6
345.24719	0.9
377.14221	7.7
377.18427	1.9
377.22049	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01715	1.5
61.98832	30.6
71.01389	8.7
71.46626	1.1
73.02959	4.5
76.06855	1.0
77.35311	1.0
83.01393	1.6
85.02957	2.8
89.02450	11.3
89.02947	1.5
95.01379	1.7
96.95979	1.5
101.02451	6.4
109.06598	3.2
111.08181	3.7
113.02454	7.8
119.03503	5.2
119.05125	1.5
119.49208	1.3
125.02435	2.4
130.04512	1.1
135.04535	2.0
143.03520	1.3
153.09196	1.6
155.05890	2.8
155.07158	54.1
156.07512	2.3
161.02448	1.5
161.04585	4.1
179.05623	4.1
179.07082	2.5
197.08177	2.4
215.03299	2.8
215.09254	5.8
317.12439	1.7
341.10944	15.5
377.08606	10.8
377.14432	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	377.1606
Annotation	Velutine B
Peak:m/z	Relative Intensity
59.01352	2.4
61.98842	3.0
77.20693	1.8
98.21770	3.0
104.02719	3.9
118.04276	12.1
121.02946	3.2
130.56361	2.0
134.03668	3.8
148.01732	2.9
149.02460	5.8
161.02477	5.1
162.03200	8.7
173.06102	2.5
176.01164	13.0
177.01906	11.0
186.40324	1.9
189.02002	3.8
190.02730	54.2
191.03409	6.5
205.01382	4.7
205.05074	7.8
217.05118	2.2
219.03006	6.3
222.01567	2.4
227.60674	1.7
276.50089	1.7
279.51959	1.7
288.13675	4.1
315.15979	3.0
316.13113	11.8
331.15536	9.3
333.17303	2.3
341.10812	4.2
344.12650	3.5
359.14978	21.1
360.15384	4.6
362.13705	23.7
377.16055	100.0
378.16458	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	377.1608
Annotation	Triptriolide
Peak:m/z	Relative Intensity
52.33290	0.4
56.61245	0.4
64.88255	0.4
66.06059	0.4
69.61947	1.1
69.62275	0.5
103.42199	0.4
104.02665	0.9
107.05025	0.6
109.95345	0.4
116.96980	0.4
118.04263	1.1
120.21997	0.3
133.64243	0.4
139.54617	0.4
145.02942	2.2
148.01654	0.5
161.02431	1.7
162.03229	1.6
171.08176	1.6
174.03223	0.5
176.01205	0.9
177.01933	0.4
179.03496	0.6
187.07668	1.4
189.01952	6.1
190.02733	15.3
191.03229	1.1
199.07701	5.1
201.01971	2.9
201.05556	0.7
202.02750	1.1
203.03546	3.8
204.04201	0.8
215.07219	1.4
217.05057	0.8
222.01686	2.6
225.05693	0.6
227.07072	0.6
229.05017	1.4
230.05887	0.8
231.10133	0.4
243.06627	50.8
244.07152	7.7
245.08083	0.4
257.08215	3.7
258.08868	0.7
259.09772	0.5
287.09253	21.2
288.09631	1.8
315.12466	1.2
331.11871	2.9
332.12665	0.5
345.13235	0.6
362.13748	15.5
363.14188	1.9
377.16068	100.0
378.16403	11.9
398.80304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.7
69.12170	0.5
69.51233	0.5
71.01400	1.3
71.41653	0.6
73.02992	0.9
77.03971	0.6
80.85258	0.6
84.47325	0.5
87.00879	0.5
89.02471	0.9
93.03477	2.4
95.01403	0.9
95.05028	1.1
97.02956	0.6
101.02425	0.7
109.02991	0.8
113.02513	0.5
118.04288	0.8
121.02960	8.4
122.03759	5.6
123.04491	1.0
125.02447	0.8
132.02197	1.4
133.02971	3.9
135.04579	1.4
147.04572	1.4
148.01656	0.6
149.02458	100.0
150.03258	29.9
151.03665	1.0
161.02448	6.5
162.02980	1.0
163.04030	0.9
164.04814	17.9
165.05586	28.2
166.06287	2.8
167.07150	5.5
168.07465	0.7
180.04250	1.8
181.08691	0.6
190.02780	2.7
195.06633	12.1
196.06982	0.9
268.03836	1.9
269.04590	5.2
270.04926	0.9
270.08951	1.1
271.09906	0.7
283.09756	2.6
285.11404	0.7
314.11630	29.8
315.12131	3.4
329.13971	89.7
330.14288	9.5
333.13672	0.7
344.39844	0.6
377.08667	1.1
377.13190	0.6
377.16193	5.2
378.16678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07159	0.7
56.89014	0.6
59.01383	3.3
69.30914	2.7
71.01387	1.6
77.25050	0.7
87.00867	1.0
93.03454	2.8
96.09903	0.7
96.10680	0.7
97.02969	0.8
109.02947	1.3
121.02983	4.9
122.03764	9.3
133.03017	3.5
135.04567	1.7
135.14586	0.7
136.01680	0.9
137.02412	1.1
149.02457	32.9
150.03244	81.6
151.03603	2.9
155.10774	0.7
161.02464	12.7
161.04532	0.8
162.02948	1.1
164.04810	6.4
165.05585	100.0
166.05978	5.3
167.07228	0.9
179.03513	1.1
180.04326	5.5
181.08781	1.1
195.06644	53.4
196.06982	2.6
244.11134	1.1
259.13391	0.8
268.03885	1.5
269.04550	9.6
270.04831	1.6
314.11646	6.8
315.12314	1.6
329.13956	21.1
330.14178	1.5
333.17108	1.4
359.14554	0.7
377.08759	2.7
377.16394	5.0
377.21896	0.7
378.16022	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.6
69.54043	4.2
71.01386	2.3
79.34010	0.7
83.75263	0.8
89.02446	1.7
93.03483	2.5
101.02458	1.3
108.02126	1.0
113.03493	0.9
121.02976	8.2
122.03798	4.4
123.04543	1.8
127.52020	0.9
133.02945	1.0
135.04579	1.1
147.04565	1.4
149.02457	100.0
150.03247	31.9
151.03613	1.4
164.03471	1.2
164.04820	17.6
164.07132	1.5
165.05585	35.5
166.06152	3.0
167.07167	5.9
180.04289	2.0
181.08699	1.2
195.06647	15.4
283.09811	3.4
285.04053	1.0
285.11310	1.0
312.42181	0.9
314.11646	31.5
315.12137	2.6
329.13968	94.4
330.14343	9.9
335.20615	1.2
377.08096	1.8
377.18106	3.4
377.22186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52875	1.0
58.02973	2.8
59.01375	5.8
70.02982	10.8
71.01388	1.6
87.05653	1.3
93.03448	1.3
95.05003	1.2
96.00922	61.2
96.79021	1.1
96.96033	15.1
97.01263	1.1
101.02445	1.6
102.59995	1.1
109.02970	6.8
110.06102	1.5
113.03579	5.2
114.01966	17.6
114.02717	1.5
119.08717	1.8
125.06090	11.7
131.04623	7.9
135.08131	2.0
136.05368	4.8
139.07652	2.6
148.05359	2.6
149.06129	3.1
151.07672	1.7
152.08447	1.7
159.11800	1.6
162.09206	2.0
163.07669	4.3
163.11372	1.4
164.08423	1.4
165.09227	2.9
175.03999	1.4
176.08372	1.1
177.01987	1.2
177.09299	1.6
180.77322	1.1
183.13960	1.9
185.11870	5.5
186.10558	1.5
189.09224	3.1
190.02702	3.1
201.12871	17.6
203.10834	12.4
204.11533	12.8
219.13904	24.7
220.14352	1.8
230.09554	5.6
244.13474	4.9
245.11801	10.7
245.14003	11.2
262.14505	8.5
269.04593	1.9
318.15659	3.6
333.17960	5.8
359.16232	14.9
360.16724	1.7
377.12775	3.7
377.17136	100.0
378.17413	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	377.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
57.03437	1.6
59.01385	26.5
61.98840	0.5
67.54006	0.4
69.03477	0.5
70.98668	0.6
71.01389	15.5
72.99316	1.0
73.02949	7.1
75.00854	0.5
83.01392	5.1
83.05036	0.5
85.02957	8.9
86.00101	1.2
87.00890	1.4
89.02444	5.7
89.02956	0.6
95.01408	1.4
95.05029	0.4
96.41249	0.5
97.02958	0.6
97.06573	0.7
99.00893	2.0
101.02457	14.0
102.02009	0.8
104.61282	0.4
105.03503	0.4
111.00909	0.6
112.98596	0.4
113.02458	6.5
119.03515	2.7
119.82868	0.4
121.02981	0.6
123.04527	0.7
123.28430	0.5
127.04063	0.5
133.02969	1.0
133.85025	0.4
135.04535	12.0
135.08195	0.5
136.04860	0.8
139.11263	0.8
141.05548	0.6
148.04015	0.6
149.45648	0.4
151.04047	0.5
153.09248	0.8
155.07173	0.8
159.02931	0.5
161.02438	0.7
161.04570	2.2
171.10307	0.9
171.13936	1.5
177.01970	0.6
179.03513	2.7
197.11865	1.6
215.03268	0.5
215.09325	2.7
215.12811	4.3
217.00301	0.7
309.76315	0.5
331.17685	0.4
341.08286	0.9
341.11688	0.6
367.01239	0.4
377.18216	100.0
378.18542	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	377.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03446	1.5
59.01383	100.0
69.58031	1.6
69.58372	3.3
71.01396	10.2
73.02942	4.9
83.01399	1.3
85.02951	3.6
89.02445	3.9
97.06600	1.4
98.21932	1.7
99.00852	1.0
101.02457	5.7
108.03994	0.9
113.02478	4.5
122.03741	1.1
124.00761	1.1
125.02467	1.1
136.01779	1.0
149.02452	3.2
150.03238	10.1
155.10789	2.4
161.04561	10.4
164.04834	1.2
165.05566	11.4
189.01715	1.0
193.05006	1.0
195.06647	8.5
215.12843	2.0
219.02890	0.9
245.13889	1.7
311.06909	1.0
317.19952	1.6
329.13943	2.6
335.20865	6.0
377.16669	2.8
377.21844	6.0
398.21411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30038	0.8
57.03442	1.6
57.71909	0.9
59.01382	18.2
59.86259	1.0
70.73203	2.1
84.40858	0.9
86.63544	1.0
86.70815	1.0
95.05034	4.3
99.92554	1.2
99.98783	0.9
113.09724	2.4
179.14377	1.3
183.10255	2.8
195.13899	16.7
208.28062	1.1
215.10493	1.2
217.12154	2.6
237.14795	1.4
246.12381	2.8
277.21777	13.2
278.11264	5.4
278.22101	1.0
295.22787	100.0
296.23151	10.7
299.20093	1.0
317.20990	48.8
318.21323	4.4
335.83185	0.9
360.14017	1.5
361.19934	1.4
377.22736	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.5
59.51294	0.5
61.98829	1.9
71.40502	0.5
83.05042	4.8
85.06599	3.0
90.61830	0.5
93.18697	0.5
99.08179	2.1
99.92590	0.7
111.04530	3.4
129.05597	24.9
130.05916	1.0
151.11288	0.5
159.01685	0.5
162.85573	0.6
171.10265	2.7
224.29672	0.6
250.30817	0.5
277.21713	7.0
278.22156	0.9
293.21231	0.8
295.22815	100.0
296.23178	11.4
317.21048	1.9
377.22998	15.7
378.23257	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	377.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47379	0.8
59.01084	1.1
59.01379	14.8
61.98829	13.7
66.35571	0.8
69.72523	2.0
69.72859	1.7
80.39174	0.9
87.31341	0.8
92.92805	1.0
113.61736	0.8
142.88858	1.0
163.04062	0.8
170.02434	1.0
180.25876	1.0
205.08681	1.7
219.97835	1.1
273.14920	5.2
274.15744	3.0
277.21747	4.4
293.21164	1.4
295.22791	100.0
296.23132	11.0
302.15204	3.6
315.19363	1.3
317.17520	3.5
317.20926	5.6
361.19949	1.0
362.17224	0.9
377.16360	1.7
377.22498	6.9
378.23111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26924	0.5
57.03445	0.6
59.01381	32.7
61.35213	0.5
61.98829	0.4
68.62368	0.5
68.67851	0.4
69.61815	1.7
73.04268	0.4
83.04985	0.6
98.22611	1.0
98.27897	0.4
99.08195	0.4
101.25328	0.4
113.09727	2.0
114.08167	0.4
129.09213	0.8
177.12871	1.0
179.14412	1.2
181.12317	0.6
183.13905	3.4
195.13914	18.0
196.14240	1.1
259.20868	0.5
277.21729	15.8
278.22037	1.2
295.22791	100.0
296.23120	10.5
317.20929	0.7
330.63531	0.4
377.23093	23.7
378.23474	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	378.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45933	1.0
59.01384	10.3
60.01717	1.2
61.98836	29.9
69.12865	6.6
71.01394	2.9
71.05032	10.8
72.00916	9.6
75.93044	0.9
85.02965	1.0
89.02464	1.6
91.05557	1.2
96.96014	1.3
97.02963	3.2
98.21819	1.8
99.97171	2.8
101.02480	2.2
103.05578	1.5
106.99020	1.2
111.04556	0.9
113.02464	1.2
115.04028	24.2
135.04523	3.2
141.98196	1.4
145.01820	1.2
147.04532	27.5
147.05656	2.0
148.04796	1.1
152.00310	10.8
154.01888	32.9
164.07176	28.7
165.07526	1.1
170.99774	25.1
171.01231	1.5
176.29865	0.9
179.03549	1.1
179.99826	12.1
185.01328	7.5
185.98488	2.0
187.02890	4.5
187.98764	1.9
200.02441	14.2
213.00836	49.6
213.80028	0.9
214.01059	1.1
226.00366	23.0
244.01425	1.2
284.09601	0.9
318.06598	100.0
319.07062	9.5
336.07489	3.3
378.08719	49.3
379.08896	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	378.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53455	1.8
59.01388	13.6
66.46831	1.6
66.61324	1.5
71.01389	6.6
73.02940	2.4
87.00880	2.4
89.02485	1.9
93.03472	15.0
97.02990	1.7
99.08205	1.5
101.02460	4.0
107.05029	7.3
113.02469	2.2
115.05534	1.9
117.03488	3.3
119.05048	5.4
121.02869	1.9
121.06617	12.7
123.04529	1.6
131.03792	100.0
132.04591	42.4
133.02972	6.1
134.03261	1.5
135.04510	6.6
137.09709	2.9
139.05577	2.5
139.67644	1.9
141.07126	22.5
142.03001	12.2
143.05042	13.8
147.04523	4.3
147.08255	2.2
149.00990	2.1
149.02347	2.5
151.03989	2.2
155.03786	4.6
156.04544	3.5
156.05746	3.8
157.06613	35.0
158.02428	1.6
159.08189	11.2
161.02489	8.4
161.06081	3.6
162.02875	1.5
166.06638	2.4
167.00009	1.7
168.04565	35.6
169.05269	10.1
169.06636	3.6
173.06090	1.9
177.05611	3.8
181.05270	2.0
183.04518	2.1
184.07677	6.4
185.06056	7.5
201.05574	11.2
202.12395	2.5
203.07162	20.6
216.57584	1.7
219.08144	3.6
230.07545	2.2
233.06087	4.7
235.11330	1.8
243.08154	3.8
245.09755	24.7
246.06879	3.1
246.09625	2.2
247.07684	27.1
247.13356	3.0
248.08357	9.7
256.07712	10.8
257.08414	20.8
258.09219	8.2
261.09192	7.0
262.09760	2.5
263.10797	81.0
264.11133	8.3
265.08621	2.1
272.10831	21.8
274.08701	15.8
275.09628	10.0
285.04007	6.5
286.04382	5.6
289.08652	5.7
290.08875	2.5
290.11899	23.7
291.12103	3.7
307.09750	16.0
313.31827	1.9
316.09747	4.9
323.99744	1.8
334.10861	11.6
377.22141	2.3
377.28220	1.7
377.58945	2.6
378.09808	7.8
379.23312	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	378.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99886	1.2
59.01383	27.4
61.98837	100.0
71.01385	10.5
71.43545	1.3
75.00881	1.4
85.02953	3.1
87.00883	1.3
89.02462	8.2
96.31781	1.4
96.96001	1.3
99.92553	1.4
101.02464	6.0
103.04027	7.5
113.02460	5.3
119.03463	1.6
120.05635	1.3
123.62150	1.3
125.03601	1.2
135.04591	1.5
136.63162	1.4
153.99606	1.3
155.07100	1.9
160.16122	1.2
162.76111	1.2
206.54872	1.5
215.05377	1.5
216.99130	2.7
217.10834	1.3
275.07693	4.9
318.00562	2.2
341.10681	1.9
342.11273	1.8
378.03989	2.7
378.08582	2.0
379.16235	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	378.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01056	1.1
61.98836	100.0
71.01377	5.5
101.98079	5.3
105.07076	1.2
141.13753	1.3
145.37811	1.1
150.43668	1.0
155.99159	1.6
177.09175	2.1
192.11569	3.2
205.12270	1.7
218.09460	2.1
219.97772	1.9
220.14714	30.2
221.15466	57.3
222.15891	5.6
231.17635	2.3
236.10556	43.6
237.11008	4.2
275.16403	5.5
293.17542	8.7
305.12415	5.6
306.13257	2.5
321.07327	1.5
360.14450	6.2
378.15375	39.0
379.15643	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	378.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68806	0.3
55.34021	0.3
57.94666	0.3
60.95364	0.3
61.98836	100.0
66.89668	0.3
77.55006	0.3
94.86695	0.3
99.43632	0.3
121.10178	0.4
154.03259	0.3
171.10315	0.6
231.70531	0.3
256.06924	0.3
275.20163	0.6
276.20566	0.3
293.21353	0.8
300.83041	0.3
305.95834	0.3
326.74362	0.4
378.18936	3.7
379.18777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	3.0
59.01381	2.6
61.98854	2.9
70.98962	3.6
79.90630	2.1
84.04572	12.0
99.68621	2.3
100.07690	6.4
101.47293	1.9
102.05620	73.1
105.63232	2.2
128.03555	100.0
129.03860	2.7
146.04568	10.2
249.18646	36.8
250.18945	5.0
264.98346	2.1
269.25076	2.2
274.64859	2.0
281.87833	2.2
306.25851	2.2
334.23947	14.8
335.24194	3.1
360.21793	10.6
378.22879	67.6
379.23260	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	379.0343
Annotation	CHEBI:70616
Peak:m/z	Relative Intensity
59.01388	6.2
59.27814	0.4
61.98837	1.9
70.62097	0.8
71.01379	2.8
73.02970	0.5
75.79326	0.3
79.95741	3.2
80.96529	3.1
83.01440	0.3
85.02970	0.9
87.00895	1.0
87.39895	0.4
89.02432	1.1
90.11808	0.3
93.03459	3.1
96.96019	100.0
98.42240	0.3
99.00920	0.5
101.02459	1.4
103.03979	0.4
107.04992	0.4
113.02463	1.5
114.50098	0.3
115.04034	0.7
122.97613	0.9
137.02461	3.2
138.97092	7.8
143.03477	0.4
150.97057	0.7
164.98596	0.7
168.01520	0.5
168.98137	0.8
173.03229	0.4
174.99272	0.9
178.98569	0.6
179.03555	0.5
179.05652	0.6
180.98155	1.1
184.97626	0.4
201.02602	0.5
217.00636	2.1
220.99617	2.4
222.94887	0.4
222.99232	1.7
241.00252	35.5
242.00563	1.0
261.88150	0.4
296.99527	0.4
319.07938	0.4
341.10947	1.4
379.03421	44.0
380.03729	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	379.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02696	1.0
56.72892	1.1
59.01381	25.8
71.01378	3.8
71.55759	1.0
85.02973	1.4
88.98820	1.9
89.02424	1.7
101.02451	2.1
109.02954	5.9
109.06590	2.7
110.03361	1.4
113.02448	1.4
119.05017	4.6
121.02953	3.6
135.04556	6.0
135.05368	1.1
137.05098	1.7
137.06099	27.5
161.02431	4.3
165.05502	1.2
181.05080	100.0
182.05475	5.8
191.09389	1.1
239.73114	1.0
247.15521	2.0
331.11765	1.8
334.77444	1.1
341.08838	1.4
343.10376	25.1
344.10498	2.1
379.15732	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	379.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.8
57.48531	1.1
59.01385	100.0
60.01716	1.3
61.15939	0.9
61.98835	11.1
70.23133	2.7
71.01389	18.3
73.02949	1.9
76.94939	0.9
79.07692	1.2
83.30595	0.9
84.49194	1.0
85.02971	4.8
87.00864	2.4
87.04492	0.9
88.04050	1.3
89.02451	22.7
95.01453	1.4
101.02452	11.6
103.04021	22.7
113.02458	8.1
115.04060	1.3
119.03513	10.6
119.08649	1.8
121.02917	1.0
125.02441	2.0
125.87324	4.3
127.87038	7.6
131.03490	1.6
135.04512	1.4
142.47369	1.1
143.03471	1.4
159.85994	1.9
161.04539	2.4
162.83923	3.8
165.05579	1.5
166.02382	1.2
179.05618	5.0
179.13092	1.0
199.09787	3.8
201.69591	1.2
216.99142	3.2
217.10846	2.2
275.07703	2.1
305.08847	1.5
314.39441	0.9
335.13635	1.6
341.10934	1.3
342.94934	1.9
379.08234	2.0
379.11963	1.8
379.16132	18.8
380.16306	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	379.1402
Annotation	Polyandrol
Peak:m/z	Relative Intensity
57.03450	2.1
57.18156	1.9
57.72523	1.9
59.01384	9.6
67.01894	4.4
69.03460	16.7
69.30201	10.6
71.01405	6.2
71.05021	5.2
72.99319	2.2
78.12000	2.6
81.03497	2.4
83.05038	8.8
84.37688	1.9
85.02950	2.1
91.05533	3.0
93.03472	5.3
95.01407	4.3
95.05030	37.9
96.05340	2.6
96.95982	2.7
97.02959	4.7
97.06597	19.2
107.05040	7.2
109.06612	13.0
111.04548	4.9
119.05019	2.9
121.06603	5.9
123.00870	5.0
123.08184	5.7
131.18343	2.0
135.04541	3.3
135.08180	3.1
136.01640	3.3
136.03973	2.2
138.03238	5.4
149.00887	2.0
149.09694	2.7
151.03990	4.2
151.11324	4.5
159.11818	26.1
165.09296	2.2
175.11314	2.4
177.12857	49.3
178.13239	2.1
193.12436	3.1
201.74275	1.9
229.15936	4.1
235.13422	33.9
247.17035	62.5
248.17371	7.3
263.13864	2.7
263.16422	16.4
273.15005	4.1
275.09229	2.1
291.12735	4.6
291.16046	79.2
292.13254	3.2
292.16412	9.1
304.62125	2.0
305.14160	2.6
307.15500	2.4
317.13965	6.9
335.15021	100.0
335.64169	2.0
336.15424	9.8
343.12021	2.9
347.74902	1.8
379.13498	29.1
380.04211	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	379.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
57.26727	0.2
59.01391	1.5
62.38982	0.3
69.24342	1.3
71.01362	0.6
73.02943	0.3
79.95739	2.6
85.02966	0.6
87.00858	0.3
87.04517	0.4
90.80602	0.2
96.96015	100.0
97.95931	0.3
101.02465	0.3
109.02922	0.3
125.02443	0.4
133.02924	0.6
135.04509	0.8
137.02428	0.7
138.03267	1.2
145.08731	0.9
149.02464	0.7
150.03221	0.9
153.09215	1.0
161.02490	0.5
163.03981	0.4
165.05553	1.0
166.05913	0.4
177.01924	2.3
179.03444	0.4
181.08801	0.3
190.02774	0.4
191.03520	0.5
193.05025	0.6
205.01495	0.3
207.02979	0.4
212.54243	0.3
259.06256	0.3
292.13092	1.6
299.18723	1.2
307.15482	0.8
317.14011	0.4
335.15094	1.0
349.12885	0.3
356.37421	0.3
361.12762	0.3
379.14279	43.0
380.14584	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	379.1584
Annotation	DMH-1
Peak:m/z	Relative Intensity
61.61817	2.8
62.59288	3.1
69.26163	11.5
69.26572	5.6
84.93908	4.6
96.96037	3.8
99.92600	63.1
100.92664	3.1
100.93368	13.5
115.92093	22.9
116.92873	100.0
117.92873	4.8
118.60887	2.8
119.80851	2.8
175.40767	3.3
264.79996	3.3
279.23209	6.4
379.15878	62.9
379.28528	7.5
380.16080	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.07384	1.1
55.01883	3.8
57.03449	4.0
58.00590	1.6
59.01384	100.0
61.52801	1.1
61.98832	1.6
69.03467	2.6
69.52895	4.0
71.01389	62.7
72.99316	2.4
73.02950	20.1
75.00904	1.2
75.25255	1.2
81.03474	1.6
83.01408	8.2
85.02956	20.0
87.00901	3.7
89.02450	33.0
95.01427	2.7
97.03024	1.9
99.00914	4.1
101.02455	36.6
101.03115	2.3
107.39344	1.1
111.00890	2.3
113.02469	18.0
113.03245	1.3
115.04025	1.9
119.03539	3.9
123.04493	1.2
125.02462	3.2
127.11304	1.3
131.03511	17.0
137.02437	1.5
137.09756	1.3
143.03542	3.1
147.01559	1.6
149.04538	6.6
157.08711	24.9
159.03015	3.4
161.04585	19.8
162.05020	1.2
186.37656	1.1
191.05661	2.4
199.09866	1.7
201.11356	1.4
215.12874	1.6
217.04984	1.4
229.10867	1.3
229.14569	2.8
231.06158	1.1
233.04109	1.9
233.06621	2.1
247.11951	29.3
247.15599	44.3
248.12267	2.0
248.15979	3.1
252.50728	1.2
339.87793	1.2
379.16177	43.4
379.23483	1.7
380.16214	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	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03357	0.8
57.03422	0.9
59.01387	34.3
64.63450	0.8
69.43116	1.7
69.43528	2.3
71.01388	16.5
73.02941	1.9
75.00882	1.3
78.24671	0.7
80.73476	0.8
83.01379	1.2
85.02953	3.4
87.00892	1.9
89.02451	9.5
93.03468	3.6
93.82213	0.8
95.01416	1.2
96.25500	0.7
101.02442	8.2
102.26756	0.7
109.34449	0.7
113.02474	6.0
114.53029	0.7
119.03491	2.9
125.09744	1.1
127.11299	1.1
137.02457	1.1
137.09737	2.9
141.65962	0.7
148.68022	0.7
149.02438	1.1
155.03606	0.9
155.10803	38.1
156.11101	2.2
171.10283	24.2
172.10661	1.8
173.11874	2.0
175.00412	1.6
177.35892	0.8
185.11847	1.2
190.02708	2.7
191.03554	1.4
194.08611	1.0
199.09790	11.3
201.11333	2.9
205.01418	0.9
205.05038	2.6
213.11304	7.1
214.11830	0.9
217.10829	58.7
218.11174	3.1
223.06148	3.2
223.09813	1.1
259.11905	9.4
285.08969	1.8
312.93985	0.8
339.05215	0.9
365.73755	0.9
379.16132	100.0
380.16425	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69321	0.8
56.64412	0.8
57.03460	0.9
59.01386	28.2
63.79706	0.8
65.35146	0.9
66.26043	0.9
69.77307	2.4
69.77631	1.0
71.01392	13.7
85.02969	2.9
87.00903	2.1
89.02466	7.4
90.92365	0.9
95.01392	1.3
101.02432	8.4
109.01118	0.9
109.64693	0.9
113.02455	3.9
119.03520	2.7
121.03024	1.0
127.11304	1.3
129.41960	0.9
137.09746	2.2
155.10802	33.7
156.11124	2.1
171.10286	23.1
172.10544	1.0
173.06038	1.0
173.11842	2.1
179.03473	2.4
185.11861	1.5
187.09894	1.1
199.09775	9.5
201.11378	2.8
213.11317	5.5
217.10834	53.8
218.11195	3.5
259.11804	7.5
267.39700	0.9
361.14999	1.0
379.16138	100.0
380.16547	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	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03443	2.9
58.00590	1.1
59.01382	100.0
60.01717	1.8
61.98832	1.6
62.68929	0.7
69.03467	1.3
71.01385	58.6
72.01716	0.8
72.99297	1.7
73.02953	13.8
80.01646	0.7
81.03481	0.7
83.01392	6.1
85.02956	11.9
87.00878	5.8
89.02450	76.6
90.02791	1.4
93.03432	1.1
95.01401	2.9
97.02989	1.3
97.06612	2.9
99.00889	3.4
99.04523	1.2
100.76376	0.8
101.02450	42.3
109.02978	0.8
111.00890	2.1
113.02450	15.2
114.93462	0.8
119.03521	11.2
122.03748	3.3
125.02483	3.3
129.58304	0.8
131.02528	1.7
131.03516	30.8
131.04471	1.5
132.03839	1.0
133.03004	1.2
135.04550	2.0
139.07681	2.3
143.03516	1.9
149.04565	43.3
150.04950	1.5
151.04030	1.1
152.10570	0.7
155.10806	5.3
157.08716	14.2
161.02486	1.4
161.04616	3.4
174.22377	0.8
179.05678	4.2
181.08728	56.1
182.09093	3.3
191.05623	11.6
196.79747	0.8
199.09749	3.6
216.04362	0.9
217.10832	17.4
247.11980	3.0
310.86780	0.7
343.13989	9.0
379.16315	16.8
380.16171	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	379.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03435	0.6
58.68489	0.4
59.01383	100.0
60.01722	1.2
71.01380	4.9
73.02958	1.5
75.15284	0.4
83.01393	0.6
85.02952	2.1
89.02448	4.2
91.61730	0.4
96.96024	0.5
99.00922	0.5
101.02456	5.7
113.02467	2.5
119.03524	3.4
161.04558	2.7
179.05647	0.9
183.06154	0.4
191.03503	0.5
205.01465	0.5
219.97279	0.4
319.17676	6.3
353.64597	0.4
359.10483	0.5
379.14355	1.4
379.19687	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	379.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63419	0.6
55.01888	8.8
57.03458	5.7
58.00597	1.1
59.01386	65.4
60.01690	0.7
61.26874	0.7
68.99803	0.8
69.03437	1.1
69.36428	1.6
69.36834	2.5
70.50448	0.6
71.01390	75.5
72.01725	1.1
72.99313	2.2
73.02952	33.1
75.00874	1.6
75.74712	0.6
79.72882	0.7
82.90887	0.6
83.00874	0.8
83.01389	16.9
85.02961	42.8
86.00072	1.5
86.03298	1.7
87.00883	4.3
89.02457	15.9
90.12701	0.6
92.03205	0.8
95.01396	7.0
97.02935	1.5
99.00896	10.9
101.02454	74.8
102.02792	1.3
111.00899	6.3
113.02459	34.0
114.02813	0.9
115.04002	0.7
115.07624	0.7
118.13326	0.7
119.03524	6.6
125.02453	1.8
129.01933	2.4
131.03572	1.2
135.04546	0.9
143.03520	4.5
159.02997	9.4
161.04576	36.8
162.04906	0.9
179.03668	0.8
205.03607	1.0
215.16533	1.0
217.18117	4.0
220.51242	0.7
269.62854	0.6
278.75446	0.8
338.98761	0.7
352.68317	0.7
379.23407	100.0
380.23758	12.2
383.30374	0.7
387.90060	0.8
397.50320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	12.0
57.03450	8.0
58.00593	1.4
59.01382	67.8
60.90426	0.8
69.03465	1.9
69.18223	4.4
71.01387	86.3
72.01731	1.6
72.99312	2.1
73.02953	41.6
75.00875	2.0
83.01389	19.3
85.02955	47.8
86.00107	2.4
87.00885	4.8
89.02446	12.0
95.01400	7.1
97.02949	2.9
98.21935	1.5
99.00886	14.9
99.03355	0.8
101.02450	86.6
102.02780	2.4
106.85300	0.7
111.00894	11.1
113.02457	41.4
114.02782	2.0
115.04044	1.1
119.03508	3.1
120.80478	1.0
125.02460	2.3
129.01945	3.4
131.03523	1.1
131.51456	0.9
141.01971	2.3
143.03519	3.7
159.02998	13.2
161.04570	40.3
162.04855	1.0
190.02673	0.9
217.18045	5.5
259.19064	1.0
311.54013	1.2
379.23386	100.0
380.23718	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	10.3
57.03458	6.1
59.01387	86.6
66.33540	0.9
68.99814	1.2
70.81142	1.1
70.81480	1.3
70.91255	1.0
71.01389	97.2
72.01714	1.5
72.99339	1.5
73.02956	39.0
75.00856	1.5
83.01398	19.5
85.02959	56.4
86.00110	2.7
87.00906	5.8
89.02458	23.5
95.01394	6.0
97.02966	3.7
99.00897	13.5
101.02455	96.2
102.02805	1.9
111.00897	8.2
113.02463	42.8
118.98093	1.9
119.03522	8.6
125.02460	3.0
129.01959	3.4
131.03496	1.9
131.29733	1.1
133.02968	2.7
135.04509	1.6
143.03499	6.9
151.67299	1.1
157.06578	1.1
159.03027	13.0
161.04572	40.1
179.03423	1.6
191.05751	1.6
215.16559	1.3
217.18130	7.8
263.07593	4.7
285.03845	1.1
286.04764	1.4
287.04837	1.2
314.16791	1.2
379.19681	4.0
379.23431	100.0
380.23758	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	379.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.4
67.46767	0.9
69.13837	5.1
96.92111	0.8
99.92582	0.9
113.09747	1.6
116.69079	0.8
120.18616	0.8
130.12344	0.8
142.77438	0.7
150.98270	0.8
157.73660	0.8
181.12350	0.9
183.13910	59.4
184.14235	2.6
203.10541	1.5
223.13174	15.5
224.13551	1.3
265.12946	1.2
267.12173	3.2
278.03723	1.1
279.23260	8.7
280.23859	1.2
297.24359	100.0
298.24741	10.1
319.22629	5.0
379.24637	13.3
380.24606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.0
59.64680	0.6
61.98835	1.5
69.37705	2.7
86.69698	0.5
120.82802	0.6
125.09728	0.8
127.11275	2.7
152.93646	0.6
153.12930	1.0
171.10281	12.4
172.10582	0.6
183.13995	0.6
246.25661	0.8
251.23785	1.2
261.22345	1.0
279.23303	13.0
280.23572	1.7
297.24365	100.0
298.24731	11.1
317.20999	2.6
319.22577	9.4
320.23013	0.9
363.21454	2.1
364.21927	0.7
379.24658	16.8
380.24979	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	379.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.0
61.98816	1.5
70.85957	1.7
84.16055	1.0
92.49554	1.1
119.94723	1.2
120.51042	0.9
133.00485	1.0
133.01556	1.0
171.10265	1.4
253.25401	2.1
279.23297	3.3
297.24362	100.0
298.24710	11.4
319.22571	15.9
320.22696	1.1
353.38309	1.1
365.69110	1.3
379.24658	11.0
379.28854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54684	0.7
65.80633	0.7
69.22515	3.0
72.00910	1.1
79.95740	8.8
80.90970	0.6
80.96525	2.4
91.01902	1.7
93.03470	13.8
98.21884	1.4
106.04247	0.9
118.03008	23.4
119.03349	0.8
119.05032	8.3
121.02942	2.5
131.03802	0.8
134.06134	7.8
136.04059	89.0
136.07677	6.1
137.04391	3.0
148.04042	1.1
149.04910	0.9
150.05621	21.5
161.15784	0.6
163.04068	2.7
166.72849	0.6
176.03569	1.1
180.06664	12.0
181.03870	0.9
194.04605	2.4
199.00694	4.8
214.01817	15.8
215.00290	2.2
216.03397	4.7
227.11914	0.6
254.08220	0.7
256.09824	48.1
257.10190	3.2
260.02350	11.6
261.02832	1.1
300.08801	39.1
301.09189	2.8
336.05490	6.8
380.04489	100.0
381.04886	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	380.1562
Annotation	cis-Zeatin-O-glucoside
Peak:m/z	Relative Intensity
57.03445	0.7
59.01384	24.3
59.92831	0.5
60.91800	0.5
61.98825	1.6
66.77812	0.5
70.68052	1.2
71.01389	31.9
71.05023	8.0
72.01718	1.1
72.99339	0.8
73.02949	1.8
82.01171	0.5
83.01392	1.7
85.02953	3.6
87.00880	1.1
88.04068	4.6
89.02445	8.1
95.01359	0.7
99.04537	1.7
101.02454	7.9
104.58116	0.5
113.02448	4.1
116.03559	1.2
116.07172	1.2
119.03549	2.7
128.07164	2.2
137.02466	0.7
146.08246	57.3
147.08595	1.6
159.03050	0.6
161.04568	1.9
169.23099	0.6
175.04033	0.6
175.61209	0.6
177.22156	0.5
177.77252	0.5
200.09200	1.0
217.27760	0.6
218.10475	0.8
219.12357	0.8
221.86322	0.5
263.11337	0.7
308.13504	6.4
362.14703	2.1
380.15652	100.0
381.15985	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	380.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.3
61.98835	100.0
111.76707	0.3
121.23746	0.3
195.13980	0.6
239.28444	0.3
277.18286	0.6
277.21805	0.4
278.22101	0.3
295.19324	1.1
295.22928	2.7
296.23224	1.0
297.23611	0.3
298.23828	0.3
380.20688	3.8
402.23734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59443	1.7
59.01368	4.5
60.99297	3.0
61.98832	2.6
65.42313	1.6
70.65710	2.8
72.00903	4.3
72.04533	2.0
74.02480	100.0
86.94415	2.1
104.03544	22.4
166.23566	1.7
168.43408	1.7
174.99396	1.6
209.33809	2.1
217.00311	5.0
252.15988	2.4
281.16470	2.4
310.26114	2.0
350.23389	34.6
351.23615	5.3
380.24438	80.8
381.25104	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	381.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27227	2.2
59.00165	2.6
59.01383	8.3
61.98829	3.9
72.99310	6.2
75.00889	5.7
76.58276	2.4
87.00884	54.6
88.04061	2.7
89.02485	2.8
104.03564	5.3
105.01952	100.0
113.02467	3.2
131.21307	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04568	1.7
59.01386	39.1
69.68697	4.3
69.69051	3.7
72.99307	12.6
74.49305	1.7
81.07095	3.6
81.86244	1.8
87.00885	37.7
95.50975	1.6
96.96011	2.2
99.04526	5.6
103.00392	17.8
104.12148	1.8
109.02958	2.0
112.98196	2.1
112.98839	27.1
130.99886	5.0
133.03047	2.7
137.02498	1.7
149.00937	81.2
151.04031	2.8
161.13385	16.3
169.90610	2.1
177.01930	13.9
205.12349	100.0
206.12706	5.7
228.48203	1.9
249.11278	19.9
249.39120	1.9
294.14670	5.2
381.15387	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	381.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15793	5.5
57.87494	5.2
59.01387	67.4
62.14265	5.7
70.75496	5.2
71.01391	40.2
83.01402	6.2
85.02969	15.9
89.02464	21.2
96.96037	9.0
97.02870	5.4
99.00919	6.9
101.02454	21.2
108.02180	6.9
113.02464	10.7
119.03513	7.2
130.37862	5.4
132.77597	5.2
139.11345	9.6
146.02518	6.0
157.06587	28.8
159.04555	9.2
160.05339	11.8
161.04729	8.9
173.06108	18.5
174.06825	6.4
175.07664	100.0
183.10309	40.7
196.76807	6.1
219.06558	40.7
220.06158	15.4
240.29108	5.8
262.07132	11.2
322.09341	13.2
349.12900	14.2
381.11441	12.5
381.15741	18.0
382.11349	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	381.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07085	5.4
59.01385	100.0
61.98830	43.7
64.87352	4.8
69.40440	22.1
71.01390	11.6
71.14835	5.5
71.31474	4.3
73.02932	5.7
85.02957	8.1
89.02448	11.3
93.03449	15.9
94.44963	5.2
96.09808	6.1
98.22628	9.4
101.02446	13.1
113.02457	11.7
115.37491	5.1
129.58748	4.9
134.03723	6.7
137.02435	18.7
148.77046	5.0
152.99648	6.0
159.03127	5.2
173.04482	4.8
175.07654	5.6
183.10274	51.4
275.09506	7.0
319.13931	7.8
321.18927	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	381.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01384	100.0
65.03964	6.1
71.01390	18.2
72.41911	1.4
73.02956	2.7
83.01408	3.9
85.02970	3.5
89.01939	2.3
89.02457	26.9
93.03468	1.8
97.06597	9.2
97.86328	1.4
101.02466	10.7
105.00155	4.4
113.02488	7.7
115.04030	5.3
119.03506	8.8
137.02448	4.3
143.03569	2.0
149.04491	1.5
159.06645	19.5
161.04581	3.1
179.05614	2.5
192.31013	1.4
201.11356	3.0
381.13684	1.5
381.17749	11.8
382.30209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
59.96715	3.8
60.97509	1.3
61.98836	9.6
63.86439	1.1
69.13498	4.5
69.13898	2.1
74.99075	24.4
91.02215	48.0
93.00142	16.8
94.53973	1.2
102.29093	1.1
143.05435	1.2
159.08482	100.0
160.08653	4.8
161.06375	11.1
172.94545	1.1
176.35822	1.1
297.24408	2.6
298.24557	2.9
299.25562	4.0
365.11160	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	381.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50311	0.3
54.48267	0.3
69.30951	1.8
79.03276	0.3
79.95737	1.4
84.93870	7.4
92.96040	0.3
95.76778	0.3
95.95230	0.4
96.96022	13.5
98.21944	0.5
99.21239	0.4
99.92589	55.0
100.92609	3.0
100.93366	12.5
101.93361	0.4
106.89037	0.4
115.92086	21.6
116.92865	100.0
117.92895	5.9
117.93649	0.7
122.97596	0.5
127.95744	0.5
131.45973	0.3
145.90034	0.4
175.15935	0.4
211.67874	0.3
251.23892	0.8
337.18378	1.7
351.16254	1.1
369.17432	1.8
381.17392	68.0
381.23080	16.4
382.17667	12.0
382.23355	1.7
395.15396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88676	2.3
57.03450	1.9
57.91413	2.0
59.01384	100.0
61.11040	2.0
61.98813	1.9
69.52487	8.3
71.01388	36.0
72.99304	2.6
73.02955	7.0
75.00881	7.7
83.01378	2.3
83.12680	2.0
85.02941	11.9
87.00868	5.6
89.02461	19.1
93.03461	28.9
95.01400	2.9
96.00935	4.1
101.02455	26.6
113.02464	13.9
114.01971	3.5
118.46318	2.0
119.03519	10.2
132.04587	6.3
133.02960	5.1
134.03804	11.4
137.02455	65.0
143.03519	3.4
149.06088	20.3
158.06111	20.3
159.10358	5.1
160.04102	2.4
161.04614	15.6
164.17226	2.1
172.52942	2.3
176.03484	6.8
177.00404	3.4
177.01860	5.8
179.05556	2.4
201.11388	3.1
202.05161	7.5
219.01445	8.6
263.10324	7.0
286.21390	2.2
299.07712	5.5
321.05804	3.1
321.15601	29.8
363.12082	2.4
381.13120	5.7
381.17554	13.6
382.11557	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	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35758	0.4
55.01888	4.6
57.03452	4.2
58.00592	0.6
59.01385	42.0
69.03446	1.1
71.01390	42.6
71.05013	0.6
72.01704	0.6
72.99297	0.8
73.02955	21.0
73.06573	1.0
74.03274	0.5
75.00867	1.3
81.03429	0.5
83.01395	14.7
84.01760	0.5
85.02963	25.2
86.00101	0.9
86.03287	0.8
87.00883	1.9
87.04504	0.6
89.02459	6.7
91.65189	0.4
95.01400	3.6
97.02960	1.4
99.00888	6.4
101.02456	48.3
102.02796	1.1
103.04034	2.0
103.04581	0.4
111.00877	1.2
113.02465	18.2
114.02751	0.4
115.03997	0.6
119.03524	2.0
125.02467	2.1
129.01941	1.2
140.95563	0.4
141.02034	0.6
143.03517	2.5
145.05014	0.9
153.14690	0.4
159.03024	3.5
161.04575	22.2
162.04846	0.7
180.06699	0.5
219.06755	0.7
219.10323	0.5
229.07236	0.5
235.11890	100.0
236.12219	5.6
247.08160	1.1
326.01172	0.4
363.13040	0.7
381.17706	24.3
382.18076	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15594	0.8
53.96140	1.0
55.01884	8.0
57.03455	6.7
58.00587	2.3
59.01385	100.0
60.01739	0.9
69.03455	2.6
69.66000	3.5
70.87758	0.8
71.01386	78.0
72.01742	1.1
72.99302	2.8
73.02950	27.1
75.00870	1.5
83.00925	1.3
83.01394	16.0
85.02958	33.2
85.06588	1.4
86.00115	1.2
87.00874	4.7
89.02454	36.7
93.03471	1.2
95.01385	4.1
97.02940	2.9
99.00887	7.7
101.02451	71.3
102.02794	1.6
110.40288	0.8
111.00889	6.9
113.02463	24.1
115.04022	1.9
115.96880	1.0
119.03477	3.2
121.02962	1.2
125.02469	5.3
127.34415	0.8
129.01909	1.4
131.03516	29.0
143.03522	4.3
147.05629	1.0
149.04572	10.4
159.02989	3.3
159.10263	4.4
161.04565	21.5
162.04857	1.0
173.04561	0.8
176.01161	2.5
177.00455	1.7
177.01939	22.9
181.08702	1.2
182.04398	0.9
191.05666	2.3
233.06650	4.9
249.13443	88.7
250.13792	5.6
264.60614	1.0
381.08597	1.9
381.17676	69.4
382.18069	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	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58178	1.1
55.01888	7.0
55.37027	1.0
56.15116	1.0
57.03450	6.2
59.01386	97.4
60.01702	1.6
69.03467	3.0
69.39330	2.8
71.01392	80.1
72.99316	3.0
73.02567	1.8
73.02957	29.4
75.00873	1.7
83.01392	18.0
84.75974	1.1
85.02962	34.2
85.06597	1.3
85.75394	1.0
86.00082	0.9
87.00871	5.1
87.08140	1.3
89.02453	34.8
93.03455	1.4
95.01405	4.2
97.02970	3.9
99.00881	9.9
101.02457	73.1
102.02785	1.4
102.12048	1.3
111.00896	4.8
113.02466	28.4
115.04019	2.3
116.07011	1.2
119.03511	2.3
125.02460	4.8
129.01996	1.2
131.03516	27.0
137.02477	1.4
143.03499	4.7
149.04584	8.5
159.03012	5.4
161.04567	25.4
176.01160	4.3
177.00461	2.4
177.01950	31.1
233.06685	4.4
249.13461	100.0
250.13843	4.7
277.70932	1.1
321.06232	1.6
381.08109	4.4
381.17694	63.7
382.18103	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	381.1923
Annotation	Viguilenin
Peak:m/z	Relative Intensity
55.01867	0.5
57.03440	0.7
57.31577	0.4
58.00589	0.6
59.01387	11.0
61.98837	0.9
69.03460	2.3
71.01389	8.8
73.02954	3.8
83.01405	1.6
85.02964	3.6
88.41480	0.5
89.02453	3.9
97.02994	0.6
99.00901	1.3
101.02452	8.0
104.28010	0.4
104.57229	0.4
111.00880	0.9
113.02464	2.4
113.06126	0.9
115.03962	0.4
119.03464	0.5
131.03548	2.3
135.08194	0.7
137.09753	3.1
147.06665	0.4
149.04568	0.8
159.03082	0.4
161.04581	1.7
176.52203	0.4
177.01895	0.5
191.05530	0.5
191.14386	0.5
217.16077	0.6
221.93440	0.5
233.06790	0.6
233.19174	0.8
235.20688	0.5
245.19154	1.5
249.13460	9.8
250.13867	1.2
255.17523	0.7
257.15509	1.5
257.19113	0.8
263.20239	0.5
273.18771	1.0
275.20197	0.9
301.74933	0.5
319.19308	1.2
335.18817	1.0
337.20230	35.1
338.20605	3.9
381.19235	100.0
382.19608	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	381.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71952	0.5
59.01386	13.6
60.25573	0.5
61.98830	1.6
63.83435	0.5
69.14991	0.5
69.64561	1.1
85.36214	0.6
98.21939	1.1
112.71808	0.5
118.74490	0.5
141.12872	2.9
155.14352	0.7
157.56952	0.5
177.79556	0.5
193.91499	0.6
217.00343	0.8
221.40262	0.7
253.25383	1.5
281.24878	2.3
297.24326	1.1
299.20291	2.9
299.25931	100.0
300.26257	10.0
319.22531	4.9
321.24097	6.8
322.24509	0.9
365.23108	0.8
381.21204	1.1
381.26236	14.0
382.26364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74546	0.8
56.24940	0.9
59.01375	2.3
67.95942	1.0
70.87459	1.9
78.95922	1.7
85.88000	0.9
110.85986	1.0
138.06863	1.8
150.62302	1.1
152.99609	1.4
153.12872	2.8
163.11148	1.0
165.12878	3.4
170.05827	1.7
179.10796	13.2
181.12372	33.9
182.12720	1.9
186.60283	1.2
195.10335	2.8
197.11902	1.4
199.13414	100.0
200.13727	5.2
215.12852	3.3
217.00323	2.1
363.25293	5.2
381.11240	4.6
381.26279	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	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62482	0.8
59.01384	2.7
61.97332	0.8
61.98837	1.0
66.07266	0.8
69.63090	2.2
95.05560	0.8
104.57039	0.9
137.06110	1.2
138.06892	2.3
149.06123	1.1
151.07651	1.6
157.98438	0.9
170.05867	2.6
188.54872	1.0
191.20895	0.9
192.11598	1.4
199.13353	1.2
217.00293	1.8
233.19110	1.9
241.06113	0.9
251.20203	3.3
256.29745	0.9
277.18103	83.9
278.18390	8.3
279.19681	23.8
280.19971	2.9
295.19162	100.0
296.19446	9.8
303.36395	0.9
314.94550	0.8
363.25449	16.8
364.25772	1.2
369.76614	1.0
381.26431	6.7
382.26779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15371	0.9
57.03450	2.0
59.01382	11.4
59.82627	1.1
60.56021	1.0
61.98835	100.0
63.47177	1.0
69.37865	5.4
71.01390	10.8
73.02950	3.5
81.03453	1.1
83.01417	1.4
84.76501	1.1
85.02957	2.7
87.00880	10.3
87.02758	1.3
89.02460	5.3
101.02453	6.3
105.01940	1.2
113.02429	2.9
119.03510	1.2
125.02463	5.1
133.06944	23.1
135.04544	4.7
137.02443	1.3
149.00922	1.3
151.00357	1.9
151.04021	1.2
159.04530	1.6
161.02498	1.8
161.04572	2.6
175.00288	1.1
177.01918	2.5
179.03500	3.0
193.01434	4.4
193.02982	1.1
202.05171	4.0
203.07277	1.7
219.06500	1.7
220.06612	1.4
221.04588	2.1
225.07553	1.4
249.06160	6.7
250.13841	1.6
272.43961	1.1
283.15436	1.3
307.07474	1.2
382.18369	3.2
383.09042	1.3
383.13718	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	382.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01385	14.9
70.93246	0.7
71.01394	8.9
71.90324	0.6
72.99308	0.7
73.02941	1.7
74.96158	0.5
75.00877	22.2
75.14252	0.5
81.61834	0.5
83.01407	0.5
85.02950	3.3
87.00343	0.9
87.00879	18.0
89.02448	6.1
95.01408	1.2
96.96065	0.5
99.00883	0.7
101.02451	5.7
105.01949	1.2
109.65392	0.5
111.77939	0.5
113.02464	3.2
115.05537	6.3
116.05099	3.6
116.05809	0.8
119.03525	1.6
119.05041	6.6
130.06625	7.5
132.04564	27.2
132.31892	0.5
133.04897	1.0
134.03741	3.1
135.04515	1.9
144.04588	1.5
146.06145	0.7
157.05310	1.0
158.06125	100.0
159.02968	0.5
159.06471	5.1
161.02460	0.6
163.04051	4.3
174.05592	3.6
176.07161	1.0
177.05522	0.6
179.03392	0.7
185.02205	4.6
191.05547	0.6
202.05112	44.0
203.05386	2.8
203.10725	1.1
220.05817	5.9
220.07813	1.4
221.08197	1.7
221.11777	0.7
235.50810	0.5
237.06152	7.3
249.06177	10.5
262.07169	1.2
292.94891	0.5
382.11444	46.7
383.05020	1.2
383.11731	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	382.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18196	0.9
59.01380	12.4
61.19872	1.1
71.01391	9.2
71.41531	1.1
72.99382	1.1
73.02917	1.2
75.00878	16.1
85.02969	2.9
87.00888	15.9
89.02457	4.8
99.00873	1.2
101.02460	3.8
111.22006	1.1
113.02447	2.7
115.05544	6.4
116.05073	2.3
119.03524	1.3
119.05041	1.8
119.57613	0.9
123.01006	0.9
130.06644	9.4
131.32851	0.9
132.04570	23.8
133.04993	1.2
134.03734	1.5
135.04567	2.2
144.04633	1.8
155.70341	1.0
158.06133	100.0
159.06485	4.3
163.04076	2.1
174.05589	3.9
176.03542	2.6
185.02263	1.3
191.05663	1.4
202.05122	40.5
203.05402	2.6
220.06013	6.1
237.06145	7.5
249.06136	11.5
311.67291	1.0
382.11469	49.9
383.11899	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	382.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
60.60125	0.6
61.98824	1.3
62.48169	0.6
69.03464	0.7
69.49662	2.6
69.94196	0.7
71.01372	0.8
71.05025	22.2
72.05357	0.7
73.02954	0.6
97.02972	4.8
99.00074	0.6
102.61276	0.7
112.66002	0.6
115.04021	100.0
116.04355	2.5
134.04742	8.5
158.06143	1.6
237.09712	0.8
250.79507	0.7
323.03793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46009	0.3
58.06792	0.3
61.84556	0.3
61.98835	100.0
87.07337	0.3
98.22637	0.5
117.62016	0.3
163.11324	0.6
179.10828	0.6
180.11157	0.5
181.12364	1.9
182.12727	1.3
183.07626	0.3
183.13904	1.5
184.14314	0.6
199.13419	4.2
200.13768	4.0
242.03842	0.4
297.24414	2.4
298.24817	1.1
300.25479	0.6
335.03467	0.3
364.25870	0.4
382.22098	4.8
383.22568	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0776
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
51.67945	2.8
58.77197	2.5
61.17445	2.4
61.98830	4.4
93.68375	2.3
97.73869	2.4
98.22632	10.4
115.04021	7.0
121.02974	100.0
122.03291	4.3
144.24719	2.7
181.06625	3.7
191.03514	8.3
225.05673	7.5
292.49420	2.8
295.06232	12.4
311.09247	11.2
313.07236	18.5
319.42050	3.0
339.08511	15.4
383.07904	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	383.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	15.8
59.01384	46.2
61.98829	6.3
64.31769	1.8
69.03479	2.1
69.08480	11.5
71.01392	16.6
73.02957	6.5
75.64188	1.5
83.01417	3.5
85.02954	29.6
87.00874	8.6
89.02448	12.9
95.01360	2.6
99.00899	2.1
101.02455	19.0
103.24618	1.6
113.02465	11.2
119.03533	4.2
121.02949	3.0
129.01965	6.0
131.03532	4.5
135.04559	2.2
143.03468	2.9
145.02919	8.7
146.03735	2.6
147.04507	10.4
149.04547	2.0
157.06618	1.7
158.03746	18.3
159.04544	15.7
161.02560	2.0
161.04570	26.8
162.04823	2.8
172.05290	3.5
173.06075	28.2
174.06650	3.0
175.04024	5.5
176.04797	5.1
177.01926	10.3
184.05315	3.1
185.06110	18.1
187.04007	7.5
188.04849	2.6
189.05519	2.2
190.06387	11.1
191.07141	21.7
201.03976	2.4
201.05620	5.4
202.06366	100.0
203.07143	79.2
204.07515	5.7
220.07504	9.9
221.08218	40.3
221.10262	3.7
222.08484	2.2
245.08156	8.2
251.11414	10.9
257.08273	3.7
268.06277	2.0
365.12411	14.1
383.15695	12.3
384.15985	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	383.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.8
59.01387	3.9
63.54123	0.4
69.34612	1.2
69.35004	0.9
69.90368	0.4
71.01389	2.4
73.02929	0.7
74.02458	0.4
85.02958	0.7
87.00871	0.9
89.02457	0.7
93.03446	2.9
101.02452	1.5
113.02471	1.1
119.03612	0.5
121.02969	5.1
122.03780	4.2
123.04517	0.5
133.02960	9.2
135.04555	1.8
136.01685	1.7
137.02457	0.8
137.09711	1.1
145.06618	0.5
149.02449	15.7
150.03261	4.8
159.04462	0.6
160.01622	1.4
161.02460	66.1
161.06081	1.2
161.09711	1.2
162.02795	4.3
162.06914	0.8
163.04041	1.5
163.07614	1.3
164.55299	0.5
165.02007	1.0
165.09254	0.5
171.04482	1.3
172.05310	1.0
173.06110	5.9
174.03207	0.9
174.06595	0.5
175.04047	1.6
175.07657	1.5
177.05669	0.6
179.03548	1.3
179.07217	1.3
179.10725	2.4
185.06064	0.7
187.04022	1.3
188.04820	2.3
189.05576	7.3
190.06374	2.7
191.05728	0.6
191.07133	3.5
192.07930	2.0
202.06300	3.0
203.07156	15.9
203.10825	1.1
204.07571	1.2
205.05000	0.9
205.08661	0.6
205.47226	0.5
215.45209	0.5
219.06624	1.0
220.07420	100.0
221.07927	9.6
221.11841	2.1
251.12910	1.0
263.09494	1.1
264.10324	0.5
298.06955	8.7
299.07358	0.9
347.17184	0.6
383.13498	31.9
384.13718	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	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97278	1.1
57.03446	7.5
59.01384	18.9
61.98829	4.4
63.75427	1.2
69.89887	3.3
71.01404	8.5
72.99315	1.2
73.02938	4.5
75.00867	2.2
76.77750	1.0
83.01382	1.4
85.02961	11.5
87.00878	4.6
89.02432	4.9
95.01423	1.0
101.02441	9.8
111.00835	1.1
113.02451	4.0
119.03459	1.8
121.02939	5.0
129.01953	1.9
133.02948	2.0
134.03767	1.5
135.04514	3.4
143.03485	1.4
143.43199	1.1
145.02936	10.1
145.62491	0.9
146.03758	3.1
147.04552	12.8
149.04590	1.4
153.74153	1.0
157.06677	1.5
158.03740	18.2
159.04523	15.7
160.05002	1.7
161.04588	8.8
161.05783	1.6
166.86552	1.1
171.04520	1.8
172.05298	4.3
173.06068	26.1
174.06639	3.2
175.04083	5.4
176.04805	9.8
177.01865	1.6
183.04599	1.3
184.05267	2.4
185.06076	21.5
186.06323	1.6
187.04027	10.6
188.04774	3.1
189.05573	1.9
190.06329	12.7
191.07135	26.9
192.07413	2.9
201.05566	3.6
202.06371	100.0
203.07147	93.6
204.07448	5.3
215.07095	1.7
217.08824	1.8
220.07411	12.9
221.08205	45.3
222.08560	3.2
223.76443	1.1
227.07033	2.3
239.06798	1.1
245.08212	10.5
251.11365	6.3
257.08234	1.5
365.12408	16.1
366.12698	2.2
383.15622	8.1
384.16019	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71806	0.6
53.35649	0.5
57.03446	4.9
59.01119	1.0
59.01386	11.0
71.01396	6.3
73.02942	2.4
73.03332	0.6
76.02592	0.6
83.01389	1.1
83.05021	0.9
85.02958	4.1
86.97852	0.6
87.00896	1.2
89.02428	3.1
91.05581	0.8
91.47349	0.6
93.03455	0.9
95.05024	0.7
96.96008	0.9
99.00877	1.1
101.02465	3.3
107.05014	1.6
108.02151	1.1
109.02987	1.0
113.02451	3.8
114.05579	0.9
121.02978	1.1
122.03757	1.9
123.04539	1.4
123.08182	0.9
133.03000	1.2
134.03760	72.9
135.03101	0.8
135.04582	15.8
135.08174	1.0
136.01730	3.4
137.02461	2.4
139.87617	0.6
145.02980	2.7
148.01721	0.6
149.01059	0.7
149.02455	2.5
149.06107	2.6
150.03236	2.1
151.04034	8.6
151.07661	1.9
159.04494	1.2
161.02455	2.1
161.04575	2.0
161.05997	0.7
161.09724	1.5
162.03233	2.7
163.04034	14.1
163.07669	4.2
164.04730	2.1
165.09224	2.1
173.06116	1.6
175.04065	1.3
177.02000	0.6
177.05611	2.1
177.09181	1.3
179.03508	3.5
179.05588	1.0
179.10765	2.6
180.04285	0.8
188.08513	1.8
189.05673	0.7
191.03520	1.1
191.05602	3.3
191.07210	1.6
203.07187	2.0
203.10806	7.6
205.05020	3.2
217.05014	1.1
219.06673	1.3
219.37978	0.6
220.07431	100.0
221.04573	2.2
221.08191	40.5
221.11662	10.6
222.08609	3.0
230.03239	0.7
233.08195	0.8
245.08244	1.9
263.06784	0.9
263.09280	8.5
264.09506	1.2
275.09314	2.3
285.04050	1.6
300.08484	0.7
383.09540	1.2
383.13589	6.2
384.13354	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36074	0.6
59.01390	9.1
60.14840	0.6
61.98822	0.8
66.31386	0.7
69.36880	3.6
69.97790	0.7
72.99309	5.1
78.95916	1.5
80.02676	1.6
86.68328	0.8
87.00881	14.1
99.04527	2.0
101.02466	0.9
103.00363	1.5
109.06579	0.8
112.98808	1.4
115.23417	0.6
121.06612	1.9
130.99773	0.7
135.04582	1.0
149.00929	24.1
152.99600	1.3
189.12860	8.8
192.41103	0.7
207.13934	9.8
208.14273	1.2
233.11882	4.6
251.12904	100.0
252.13217	7.6
285.04178	0.8
383.17007	1.1
384.24039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01390	2.6
61.47641	0.3
61.98840	0.6
71.01379	2.0
85.02953	0.6
87.00881	1.1
89.02439	0.7
93.03485	2.8
99.04504	0.5
101.02481	0.9
107.05030	0.4
108.02204	0.4
111.04514	0.4
113.02478	0.8
117.03514	0.4
119.03500	0.4
119.08706	0.4
121.02974	5.5
121.06640	0.6
122.03762	3.7
133.02974	9.6
134.03322	0.5
135.04546	1.0
136.01691	1.3
137.02501	0.9
137.09721	1.8
145.02980	0.7
145.06488	0.3
149.02464	17.2
150.03258	4.8
159.04585	1.0
160.01660	1.1
161.02464	72.0
161.06007	2.0
161.09717	1.3
162.02794	3.6
162.06848	0.9
163.03986	1.1
163.07684	1.5
165.01944	1.2
165.09242	1.2
171.04512	1.7
172.05313	1.0
173.06108	5.3
174.03282	0.8
174.06590	0.7
175.04021	2.0
175.07629	1.2
177.05702	0.5
178.02849	0.4
179.03487	0.6
179.07133	0.7
179.10741	3.5
185.06068	0.7
187.04083	0.9
188.04814	3.0
189.05594	8.1
190.06323	2.1
191.07193	3.3
192.07957	2.3
193.08682	0.7
201.05641	1.0
202.06374	3.0
203.07162	19.8
203.10696	1.8
204.07535	1.0
205.05034	0.5
205.08760	0.7
213.36797	0.4
219.06613	1.1
220.07426	100.0
221.07964	10.6
221.11707	3.4
245.08360	0.6
251.12958	1.2
263.09299	1.1
265.80826	0.4
298.06973	8.9
299.07275	1.0
300.08829	0.4
309.37448	0.4
347.17194	1.2
383.13495	32.0
384.13788	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	383.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.9
59.01377	31.7
61.98849	4.5
63.80571	3.3
69.03473	4.6
69.39167	12.8
71.01383	14.6
71.05021	4.2
73.02937	5.8
73.45231	3.5
79.11414	3.7
79.50870	3.6
83.01376	4.3
85.02954	4.4
89.02448	8.3
91.01910	6.8
101.02496	4.6
108.02170	7.4
109.02972	8.4
118.98106	4.4
121.02991	4.2
123.04530	15.5
125.02435	10.9
129.18941	4.4
133.03000	4.0
135.04538	7.2
137.02446	10.8
146.06140	16.2
149.02470	4.6
151.04030	11.8
161.02438	13.7
163.04021	10.4
167.03516	61.7
175.03970	5.2
177.01959	4.8
179.03522	4.9
185.11853	100.0
220.07413	4.4
221.04628	6.6
221.08104	4.9
297.51324	3.3
299.07788	4.3
321.49008	4.0
324.15726	17.7
338.97104	3.8
339.08673	4.7
347.16995	5.4
365.75110	4.2
383.07788	7.1
383.13370	6.7
383.17407	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	383.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
57.11592	1.4
57.19410	1.7
59.01385	100.0
61.99844	1.8
68.64822	1.9
68.82511	1.5
69.19783	6.5
69.20183	3.1
71.01389	37.0
73.02927	5.5
75.00887	2.4
83.01371	3.1
85.02968	9.7
87.00886	8.8
89.02459	6.9
95.01403	3.1
95.72269	1.5
98.21908	4.1
99.00902	3.4
101.02448	13.8
103.04027	2.0
105.98819	1.8
111.00877	1.8
112.98820	2.0
113.02467	8.4
113.99592	1.8
119.05029	7.0
133.06931	6.4
134.03773	10.1
135.04543	5.3
147.06647	25.6
158.06125	7.8
159.02998	2.9
159.06477	7.6
161.02457	3.0
161.04565	14.1
163.04002	6.3
172.00134	2.7
173.08197	6.2
179.03487	4.5
179.50452	1.7
185.02174	3.7
191.05544	3.0
191.07103	2.1
194.05835	3.6
201.07716	2.9
203.05518	2.3
209.08260	5.1
213.00830	1.8
220.07410	10.2
221.08171	5.7
263.11423	23.1
291.10803	5.1
321.66980	1.7
323.07663	3.3
336.39325	1.6
383.12375	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	383.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01387	4.1
65.66375	0.2
70.58357	0.5
71.01387	2.9
73.02945	0.5
83.01409	0.3
83.04984	0.3
85.02962	1.3
89.02451	0.5
96.22280	0.2
96.96046	0.3
97.02968	0.3
101.02470	1.5
113.02480	0.8
119.03591	0.2
120.05872	0.2
121.06640	0.7
121.65889	0.2
123.04539	0.5
123.08179	2.0
135.04562	1.4
136.05283	0.3
145.06566	0.3
147.04530	3.2
148.05286	0.4
149.01007	0.3
149.06001	0.2
151.07669	4.1
151.11296	0.4
159.08080	0.3
160.08932	1.1
161.02434	0.5
161.04562	1.0
161.09741	2.6
163.07625	0.8
172.05298	0.3
173.06094	1.2
175.11310	0.5
177.09222	0.8
179.07269	0.4
179.10786	4.5
187.07677	4.8
188.08446	14.5
189.08754	0.8
202.10034	1.1
203.10797	100.0
204.11133	7.2
205.03574	0.4
220.07607	0.3
220.10954	0.3
221.06473	0.6
221.11838	5.3
222.12207	0.5
224.36641	0.3
251.13048	1.2
270.64337	0.2
383.13101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65389	1.6
57.37261	1.4
59.01384	39.6
61.98840	3.4
68.70973	1.8
69.03449	1.8
69.60935	7.0
71.01355	1.7
80.45603	1.5
83.05061	1.6
98.21896	2.3
101.20995	1.8
135.50439	1.4
183.01187	6.6
203.18063	2.9
257.22778	23.1
258.23178	3.1
301.21741	100.0
302.22049	10.8
325.18506	15.3
335.06613	2.1
383.22101	17.8
384.22290	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	383.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14095	10.9
52.13718	10.7
59.01393	100.0
61.98830	12.5
65.16960	9.5
71.42162	15.2
75.80899	9.8
80.76369	10.4
116.51663	10.2
126.59888	10.8
170.77812	11.6
200.36633	10.8
308.67532	12.2
325.93176	10.6
347.25821	14.9
360.47247	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	384.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00715	1.9
59.01392	20.7
61.98835	100.0
65.70193	1.8
70.12697	1.9
71.01373	10.4
73.02949	2.7
74.02480	3.4
80.99405	2.0
82.28394	1.7
85.02945	4.3
89.02456	8.9
98.21854	6.5
101.02435	5.4
113.02431	4.4
115.09129	1.8
119.03520	3.0
151.00288	2.5
161.02455	3.6
179.10759	3.0
187.11205	2.8
205.12213	2.7
223.09677	2.5
229.02344	2.1
385.22568	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09656	2.1
57.03435	4.5
59.01376	7.9
59.27944	2.0
62.77319	2.3
67.13618	2.3
69.61712	10.6
71.01372	6.7
81.03459	4.6
83.01393	12.4
84.15245	2.3
85.02958	2.7
93.03460	5.3
95.05029	5.7
97.02971	19.6
101.02454	3.6
102.51215	2.2
107.05065	2.9
108.02192	3.8
109.02954	54.6
113.02460	2.8
117.03509	3.7
119.03684	2.5
121.02950	10.1
122.03772	2.8
123.04534	37.3
125.02467	22.0
133.02974	5.0
133.06598	5.6
135.04581	12.5
137.02469	17.3
138.29030	2.9
139.04028	13.0
147.04509	3.0
149.02451	16.1
149.06081	3.4
151.04057	18.5
153.05554	7.4
159.04510	5.7
161.02457	28.0
161.06105	7.8
162.03014	4.5
163.04008	6.1
163.07687	2.9
164.01134	5.1
165.01945	5.9
173.06149	3.0
175.04012	6.9
175.07590	3.4
176.01208	2.5
177.02025	2.5
177.05586	14.8
179.03532	17.1
179.07115	4.0
179.10818	4.6
180.03822	2.5
185.11829	5.1
187.03970	6.5
187.07692	2.7
188.04813	7.0
189.05583	10.7
191.03465	3.6
191.07053	3.6
202.06252	3.7
203.07181	16.9
205.05069	15.6
207.13905	4.0
213.05513	3.8
215.07150	7.2
217.05069	8.1
218.05846	4.6
219.06517	2.7
221.04509	4.6
221.08102	4.3
231.06702	4.7
245.08269	16.5
247.06087	3.5
269.04468	14.1
270.04898	9.4
289.07214	87.7
290.07532	7.8
297.11227	4.3
301.07230	13.9
308.41333	3.2
341.10251	23.3
342.10599	3.0
367.07886	5.5
385.09305	100.0
386.09616	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	385.0931
Annotation	5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
59.01366	2.5
71.01387	1.6
71.99957	1.3
80.56796	1.3
83.20421	1.4
92.39713	1.3
93.03448	2.5
98.22692	3.3
109.02943	2.4
115.05528	1.4
121.02890	1.5
123.00909	15.9
123.04582	2.0
124.01681	17.1
133.02942	3.1
134.03700	2.0
137.02437	5.8
138.03233	1.6
139.00351	2.4
139.04047	4.6
145.02951	2.8
146.03722	3.0
147.04555	4.0
151.00391	39.2
151.03996	3.6
152.01176	100.0
153.01706	5.8
159.04538	6.5
161.02458	5.4
162.03188	2.3
163.04004	1.6
164.01109	6.6
165.01923	1.6
166.02722	21.1
167.03516	94.7
168.03845	4.6
171.00926	1.4
173.02446	8.8
174.03162	5.2
175.04027	8.5
176.01216	7.8
176.04880	1.6
177.01923	12.5
178.02667	3.1
179.03540	7.9
187.04030	10.2
188.04657	1.5
189.01981	5.5
189.05556	2.2
190.02730	38.7
191.03342	4.4
193.05008	2.9
199.13283	2.8
202.02733	15.0
203.03542	21.0
204.04253	14.9
205.05084	21.7
217.05080	14.4
218.02240	5.5
218.05798	7.4
219.06569	7.8
230.02245	2.1
231.02971	2.9
232.03551	1.7
233.04568	5.1
245.04466	2.7
264.04175	1.6
281.04626	2.7
282.05374	1.6
283.06125	2.0
293.04492	2.2
309.04031	3.4
310.04794	1.9
311.05609	2.3
325.07257	2.6
326.07953	2.6
327.05157	3.0
337.03543	3.6
338.04486	3.7
339.05054	2.1
340.06021	2.0
342.07553	4.6
343.08313	1.8
353.06622	4.2
354.03619	2.4
354.07480	1.8
355.04520	8.8
355.08350	4.8
356.04675	1.8
370.06857	11.9
371.07626	5.4
385.09320	46.4
385.22360	2.1
386.09909	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	385.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.3
71.01363	1.3
81.03457	1.4
85.02938	0.9
89.03966	2.5
94.55409	0.7
97.02939	0.7
104.02697	17.1
105.03495	5.6
120.02189	2.4
133.02974	12.8
137.09714	1.0
148.01685	15.6
149.02328	1.5
152.01190	1.4
161.02399	0.7
167.03601	1.1
175.99565	1.5
176.01166	86.4
177.01944	100.0
178.02310	5.1
182.04572	1.0
190.02713	1.0
199.13353	0.9
209.08234	0.9
215.96043	0.6
242.20621	0.6
251.16377	0.6
310.26624	0.7
325.20331	1.1
343.21262	6.4
355.08264	1.1
367.08505	0.8
385.09387	7.2
385.22278	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	385.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38097	0.5
59.01374	1.3
63.25880	0.5
69.03446	1.2
81.03433	0.7
93.03487	1.5
95.01407	0.9
97.02960	0.8
107.01369	4.4
108.02177	1.7
119.01396	1.5
120.02177	0.9
121.02969	0.6
123.00906	1.6
125.02418	0.7
126.41426	0.5
135.00908	11.8
137.02443	0.6
145.02963	2.1
146.03749	5.0
147.00935	1.0
147.04489	0.5
149.02437	1.4
150.03189	1.0
153.53058	0.5
160.10811	0.5
161.06110	2.3
162.03271	1.5
163.00385	22.4
163.04034	0.9
164.01054	2.0
164.04771	2.9
165.01854	0.7
175.00404	1.7
176.01160	1.1
177.01953	1.7
177.05521	1.1
178.02728	0.7
179.07158	14.9
179.10698	2.7
180.07527	0.9
190.02670	0.6
190.99878	77.1
192.00652	77.9
193.01402	17.9
194.01740	0.8
204.04390	0.5
205.01447	1.9
205.05046	1.0
205.64134	0.7
206.02213	100.0
207.02968	51.5
208.03323	2.5
209.15446	0.7
223.09712	2.0
253.14462	1.3
265.10913	0.9
326.07791	1.4
341.10294	1.9
370.06696	0.7
371.59344	0.6
385.09241	25.6
385.22333	1.6
386.09689	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	385.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28004	1.0
55.01886	1.5
56.03384	1.2
57.03445	5.1
59.01385	28.8
61.44921	1.1
69.03471	3.7
69.12996	5.4
69.13413	2.0
71.01389	15.4
71.05029	1.2
73.02956	1.4
81.03477	7.8
83.01389	20.0
85.02956	4.0
89.02458	17.1
91.05526	2.1
93.03477	8.6
95.01396	3.8
95.05045	8.6
97.02957	23.6
101.02466	8.1
103.99683	1.1
105.94670	1.2
107.05029	2.2
108.02173	2.6
109.02967	73.8
109.06558	1.3
110.03306	2.1
111.04546	1.4
113.02479	5.7
117.03488	2.2
119.03512	8.0
121.02953	11.0
122.03757	4.5
123.04541	47.9
124.04902	2.1
125.02464	28.0
127.03986	1.6
131.05035	1.9
133.02979	2.7
133.06631	4.8
135.04539	17.7
135.08145	1.3
137.02461	26.4
138.03230	2.7
139.04037	14.1
143.03500	1.8
145.02979	3.8
145.06583	1.3
146.03725	4.1
147.04555	4.3
147.08177	2.4
149.02464	19.2
149.06021	3.0
150.03210	3.2
151.04034	26.4
152.04419	1.3
153.05582	8.2
153.09196	1.5
159.04529	5.6
160.05342	3.3
161.02470	13.0
161.04695	2.5
161.06078	13.4
162.03194	5.3
163.04025	8.2
164.01193	6.9
165.01929	5.4
165.05649	1.2
167.03511	3.4
173.06075	5.2
174.03311	2.4
174.06926	1.2
175.04056	8.1
175.07742	2.8
176.01189	3.5
176.04782	1.3
177.02010	3.2
177.05579	17.7
178.02725	1.1
179.03534	16.1
179.05614	2.9
179.07018	6.2
179.10841	1.8
187.04057	10.3
188.04840	8.0
189.05574	11.8
190.02820	2.3
191.03502	3.5
191.07095	5.9
192.04242	1.6
198.09502	1.4
199.07584	1.3
201.05670	3.3
202.06419	3.1
203.03600	2.4
203.07150	22.6
203.10750	1.1
204.07559	1.4
204.11057	1.2
205.05078	22.3
205.12283	3.3
210.89476	1.3
212.04820	2.1
213.05574	3.5
215.03488	1.5
215.07176	11.6
216.04309	2.2
217.05089	8.7
218.05769	2.4
219.06619	3.1
221.04591	5.4
221.08142	5.8
223.06110	2.8
227.07129	1.8
229.05145	2.5
231.02988	3.3
231.06612	6.1
233.04527	2.5
239.07231	1.5
245.08203	21.9
246.08603	1.4
247.06146	3.8
257.08221	5.3
261.04022	3.6
263.05661	1.3
271.06183	1.8
275.05692	1.8
289.07220	98.0
290.07529	8.9
297.11295	3.3
300.20270	1.1
301.07208	19.2
317.10318	3.7
325.07208	1.9
339.49152	1.1
341.06424	2.1
341.10306	27.7
342.10635	3.0
343.08170	1.4
348.04221	1.1
367.08078	6.0
385.09326	100.0
386.09567	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	385.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49469	1.0
55.01874	1.4
57.03454	6.2
59.01383	25.8
59.74562	1.3
65.03980	2.2
65.16409	1.0
65.78490	1.0
69.03455	2.3
69.61723	2.0
69.62086	4.2
71.01389	13.5
73.02951	1.5
79.95766	1.1
81.03461	7.9
83.01389	15.2
85.02969	3.8
89.02454	14.1
93.03470	7.6
93.04006	1.1
95.01416	2.6
95.05024	7.2
97.02954	18.9
101.02438	8.7
105.03458	1.8
107.05054	3.6
108.02183	2.8
109.02962	70.5
110.03291	2.0
111.04513	2.3
111.08119	1.4
111.97141	1.0
113.02457	6.0
119.03493	6.6
119.05077	1.8
121.02972	9.2
122.03792	6.1
123.00883	1.2
123.04540	44.7
124.01615	1.1
124.04885	1.4
125.02451	24.7
126.02664	1.2
129.07101	1.3
131.05049	1.7
133.02939	2.4
133.06606	4.5
135.04547	15.8
137.02463	26.7
138.03241	1.2
139.04030	12.9
145.02948	4.7
146.03757	3.8
147.04523	3.4
147.08177	1.9
149.02460	17.3
149.06104	2.0
150.03210	3.7
151.04018	29.3
153.05521	6.0
153.09219	3.0
157.06602	1.3
159.04547	5.9
160.05312	3.6
161.02466	14.1
161.06081	13.8
162.03195	6.2
163.04025	9.5
164.01169	5.2
165.01965	6.9
165.05455	1.5
166.02617	1.3
167.03479	1.9
173.06076	2.7
174.03214	1.9
175.04030	7.5
175.07643	3.7
176.01169	4.6
177.01945	3.1
177.05583	18.6
179.03555	13.5
179.05060	1.6
179.05722	2.2
179.07072	5.4
179.64343	1.1
185.06020	1.3
187.04051	7.1
188.04800	8.5
189.01926	1.2
189.05580	14.6
190.02724	1.6
190.06255	1.5
191.03517	3.1
191.07150	4.4
197.05995	2.1
201.05568	3.2
202.06367	2.6
203.03535	3.8
203.07172	20.1
205.05086	20.3
205.12381	2.0
206.05411	1.3
213.05623	3.3
215.07127	14.8
216.04169	1.4
217.05130	9.0
217.08742	1.3
218.05836	2.4
219.06567	3.3
221.04584	5.8
221.08223	3.7
223.06133	2.3
223.37517	1.2
225.05605	1.8
227.07103	3.2
229.04982	2.4
231.02959	2.7
231.06569	5.3
233.04622	2.2
233.08104	1.7
239.07193	1.6
241.04861	1.2
245.04556	1.2
245.08221	20.8
247.06174	4.4
255.10243	1.4
257.08276	3.2
261.04001	3.5
289.07199	100.0
290.07523	7.9
297.11368	3.5
299.09332	2.0
301.07202	20.7
302.07736	1.3
317.10269	2.9
325.07382	2.0
341.06418	2.2
341.10297	27.1
342.10693	2.5
367.08160	4.7
385.09314	95.8
386.09610	13.5
408.75650	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.49887	1.3
59.01385	57.2
69.41084	3.6
69.41472	3.4
71.01389	26.9
85.02956	5.8
87.00896	8.4
87.01321	1.2
89.02448	36.9
93.03484	2.5
101.02458	16.9
109.02890	2.1
113.02452	12.9
119.01408	3.6
119.03517	15.0
121.02928	3.3
123.18456	1.4
131.03468	1.7
133.02956	2.4
135.04515	4.6
143.03540	3.1
147.00914	2.1
147.28745	1.6
149.02467	26.8
150.02815	1.6
151.04057	1.3
152.01195	2.8
159.04503	4.4
161.02454	5.4
161.04575	2.8
163.04042	3.5
164.04816	32.8
165.01909	2.8
165.05145	2.5
172.05251	4.2
174.98997	1.8
175.00389	23.2
179.05550	3.8
179.07146	10.9
181.05096	2.2
187.07663	10.5
190.02740	75.1
191.03091	4.1
193.01437	9.6
205.05075	100.0
206.05391	7.9
208.03802	22.9
221.08202	2.4
223.06137	84.4
224.06422	5.3
244.63045	1.5
247.06084	5.8
265.07208	4.1
277.10580	2.2
302.14621	1.4
325.09222	2.2
367.14087	13.4
385.11313	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	385.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71260	0.4
53.53734	0.4
59.01359	0.6
61.31485	0.5
67.52265	0.4
69.43159	0.8
69.43546	1.0
70.20686	0.4
73.20567	0.4
79.05497	0.4
98.21836	0.7
104.02674	1.0
107.05013	1.1
107.26366	0.3
112.39558	0.4
136.38821	0.4
148.01660	1.1
155.08662	0.9
161.02496	0.5
162.03111	0.4
171.08139	2.8
173.06084	0.4
181.06653	0.6
187.07629	1.8
189.01875	1.8
190.02751	2.8
197.06114	0.5
198.06955	0.6
199.07675	7.0
200.08177	0.4
201.01839	0.7
201.05606	0.7
203.03596	0.4
215.07166	2.5
216.07368	0.4
225.05673	0.6
229.05080	0.5
240.15227	0.8
243.06631	80.5
244.07074	9.3
245.07826	0.4
258.09076	0.6
276.06345	0.5
284.13962	0.7
311.12863	0.5
312.13699	39.0
313.14059	4.6
327.16028	100.0
328.16367	13.4
385.11499	0.6
409.98303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82485	0.9
59.01380	3.8
59.85868	0.9
61.98838	8.9
69.88427	2.3
71.01390	5.2
72.00908	1.9
85.02953	2.1
96.00954	5.4
98.22639	1.6
101.02456	2.8
108.04568	32.4
113.02473	1.3
114.01971	6.6
118.03008	42.3
119.03370	2.3
123.00920	1.0
125.13634	0.9
134.02495	2.4
134.03697	2.0
144.04567	58.2
145.04913	2.9
161.04549	1.6
161.07298	0.8
162.05643	15.4
163.05058	1.2
169.46663	0.8
179.33104	0.9
188.03554	80.5
188.92108	0.8
189.03934	4.2
191.05600	1.1
205.06204	100.0
206.04651	1.8
206.06531	6.7
222.08937	2.8
223.07246	19.1
223.09554	1.6
224.07538	1.0
358.32242	0.9
385.12549	51.8
386.12885	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
59.01376	3.1
70.61742	2.3
71.01399	2.3
83.05040	3.1
85.02943	1.8
107.05045	2.0
108.02200	3.9
121.02966	8.4
122.03777	8.5
123.04528	3.0
134.03751	6.1
135.04535	13.1
136.01674	8.3
136.05339	2.3
138.03265	1.3
145.02975	9.7
146.03755	19.0
147.04539	3.7
148.05333	7.9
149.02483	2.3
150.03267	12.1
151.04051	5.0
157.06642	1.3
159.04546	23.5
160.05333	16.6
161.02487	1.4
162.03183	1.5
163.04053	4.5
163.07669	3.2
164.08490	2.1
171.04610	2.3
172.05339	12.8
173.06058	3.5
174.06891	4.5
175.07674	32.3
176.08055	1.8
177.09235	19.2
185.06117	2.1
187.07672	22.7
188.08031	1.7
189.05557	1.4
190.06409	3.0
191.07149	7.8
192.07874	1.7
193.08727	25.8
194.09244	1.7
203.07135	1.9
204.07964	1.8
205.08725	63.5
206.09065	4.3
222.08992	28.8
223.09782	100.0
224.10159	6.7
364.97144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40295	0.8
56.24659	0.8
58.15436	0.7
59.01368	3.4
61.98827	2.2
68.13605	0.8
69.92235	1.9
69.92540	1.0
71.01373	2.1
73.02953	1.5
78.91885	0.8
85.02925	1.0
89.02477	0.7
93.03455	1.9
98.21931	1.5
100.90102	0.8
103.05565	1.0
107.05036	2.0
119.05018	1.0
121.02971	2.5
123.04429	1.0
133.06543	0.8
134.03757	78.5
135.04559	30.4
136.01624	1.0
136.04857	1.1
137.02454	6.5
144.67110	0.9
145.02969	1.9
146.03760	5.1
147.04532	6.5
149.02425	5.6
149.06073	2.9
152.21222	0.9
159.04538	1.8
160.05286	2.0
161.02254	0.8
161.04422	0.9
163.04080	2.1
164.04784	2.8
165.05553	2.0
175.07574	3.5
177.05574	4.5
187.07689	1.0
187.09795	0.9
189.05495	1.3
191.05629	2.5
191.07179	1.1
193.01367	1.7
193.08740	4.5
205.08722	7.7
208.03748	2.8
219.06781	0.9
221.08174	2.2
222.08986	100.0
223.06387	7.3
223.09735	52.6
224.10081	3.7
235.09824	1.8
247.09749	2.3
249.30833	1.0
265.10849	12.5
266.10986	1.1
277.10770	3.1
280.08902	0.8
304.18219	0.9
372.83008	1.1
378.24139	0.9
385.15240	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03671	2.1
53.72052	1.6
55.01880	2.1
55.58082	2.0
57.03439	2.1
57.81235	1.8
59.01384	43.4
66.35787	1.7
66.93902	2.0
69.03463	3.7
71.01392	19.0
73.02943	3.8
85.02964	5.9
87.00916	3.1
87.04509	4.2
89.02447	13.3
95.01389	3.2
97.02940	2.2
101.02477	10.9
104.18257	1.9
107.08734	2.2
111.04576	3.2
113.02458	14.3
113.29765	1.7
119.03514	4.8
120.05794	3.5
122.46467	2.0
133.10252	4.8
133.73895	1.9
135.04564	3.5
135.11812	21.3
136.12157	2.2
137.02472	5.0
159.08136	2.4
159.11778	7.2
161.02469	4.7
161.04559	2.3
161.09760	18.4
175.23659	1.9
177.12924	2.3
179.05569	2.2
179.10797	100.0
179.95676	1.9
180.11137	6.1
203.10812	14.0
205.08727	1.8
221.11855	2.7
223.09770	49.8
224.10191	5.0
253.14441	16.9
265.10767	6.6
294.41003	2.0
312.04523	1.9
385.15054	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02323	0.9
57.03444	1.8
58.63050	0.9
59.01387	100.0
60.01704	1.4
70.91506	1.5
71.01389	9.2
73.02943	5.0
74.02498	1.0
75.00867	1.7
78.99039	1.0
83.01404	1.1
85.02957	3.5
87.00891	1.1
89.02463	2.7
99.00859	1.2
101.02449	6.4
113.02449	3.9
121.06544	0.9
125.06129	1.0
125.94276	0.9
135.11818	2.5
142.55896	1.0
148.04404	1.0
148.05347	8.8
161.04565	7.0
161.09721	2.1
163.07668	8.3
179.05635	1.6
179.10774	10.7
192.58244	1.2
203.10780	3.1
223.09796	3.5
228.02779	0.9
253.14502	2.0
287.54144	1.1
385.22260	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84100	1.5
59.01385	32.7
60.85662	1.7
61.98825	1.8
64.04376	1.5
69.30344	7.9
71.01388	18.1
73.02934	5.1
75.07874	1.7
85.02963	6.4
89.02459	13.3
95.01413	1.9
99.04504	2.1
101.02435	8.1
111.04481	1.7
113.02464	14.3
119.03524	2.7
120.05788	2.3
133.02971	4.8
133.10217	3.5
135.04521	2.5
135.08255	2.0
135.11813	19.4
143.03502	2.0
144.07816	2.1
145.68330	1.8
147.26945	1.8
158.19662	1.9
159.08183	4.4
159.11844	2.7
161.02521	4.4
161.04628	2.1
161.09761	18.5
177.12961	2.3
179.10797	100.0
180.11111	6.3
203.10825	7.4
205.08707	2.9
221.11842	5.2
223.09773	43.0
224.10083	5.7
253.14549	2.7
265.10864	4.3
285.04001	2.5
341.19904	2.0
356.27164	1.8
385.08444	3.5
385.22488	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01387	4.7
70.15540	1.3
70.15869	0.6
71.01392	2.9
73.02946	0.9
85.02951	1.6
87.00898	0.8
89.02449	1.4
93.03466	0.9
98.22567	0.8
101.02439	1.4
107.05029	2.2
108.02169	1.6
109.02966	0.7
113.02479	1.2
118.98074	0.6
119.03535	0.8
119.05000	0.8
121.02988	3.5
122.03728	1.3
123.04535	1.4
134.03760	71.1
135.04576	24.7
136.01686	2.3
136.04950	0.9
137.02457	2.6
137.06110	0.6
144.35309	0.6
145.02968	3.5
146.03754	10.9
147.04485	2.3
148.05281	1.6
149.02454	5.1
149.06065	2.4
150.03200	2.3
151.03996	1.7
159.04529	4.3
160.05333	7.1
161.02457	1.6
161.06067	0.6
163.03996	2.4
163.07663	1.5
164.04820	3.2
165.05522	0.6
171.04529	0.6
172.05333	1.9
173.05972	0.7
174.06947	1.2
175.07664	12.1
176.08171	0.7
177.05569	2.6
177.09203	5.0
179.07089	1.1
180.04327	0.9
187.03879	0.9
187.07637	3.2
189.05634	1.4
190.06400	1.0
191.05598	1.0
191.07188	2.3
193.01509	0.9
193.08702	11.9
193.10327	1.0
194.09132	0.7
205.08702	20.7
206.09032	1.3
208.03740	1.9
217.08769	0.8
221.08232	2.3
222.08995	100.0
223.06146	5.7
223.09756	79.4
224.06419	0.7
224.10054	5.0
235.09785	2.3
237.07706	0.8
265.10831	11.8
266.11292	0.8
277.10938	3.4
379.17542	0.6
385.11182	0.8
385.15134	6.6
386.15494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27583	1.7
57.03457	5.1
59.01387	66.2
61.98790	1.5
71.01394	30.3
71.05025	3.2
72.99320	3.0
73.02965	11.4
74.02473	1.7
75.15539	1.6
79.59723	1.7
82.17163	1.7
83.01382	2.7
83.04985	1.7
85.02981	13.7
87.00904	10.5
87.04509	2.9
88.33818	1.5
89.02450	18.2
93.03475	3.2
95.01384	2.0
95.05016	3.0
99.00862	2.1
99.04534	2.2
101.02448	18.1
103.00378	5.1
105.03491	2.8
107.04996	1.7
112.98813	9.1
113.02470	20.1
119.03503	6.6
120.05826	2.3
121.02966	2.1
121.10283	2.0
123.08205	2.4
130.08806	2.0
130.99896	1.7
131.03786	8.1
132.04550	6.2
133.03004	11.1
133.06580	2.1
133.10272	3.0
134.03821	2.2
135.04543	7.0
135.11819	23.9
136.12117	1.8
145.02939	1.8
146.02565	2.5
146.07307	2.4
147.11795	1.6
148.04033	2.0
149.00923	2.7
149.02452	1.4
151.03995	2.1
153.09174	3.2
154.46501	1.7
159.08136	4.0
159.11800	5.8
161.02473	5.2
161.04604	5.1
161.08452	2.5
161.09734	29.2
162.10103	2.0
163.11299	2.5
169.87523	1.5
173.13309	2.4
175.11305	3.2
177.01955	3.9
177.09161	2.3
177.12820	3.7
178.05072	2.0
179.03600	2.7
179.10794	100.0
180.11118	4.7
187.11325	1.9
191.05727	2.2
193.12389	3.0
203.10773	16.8
204.03026	4.8
204.11180	1.8
205.08731	4.7
205.12308	11.7
221.11882	5.2
222.08971	4.1
223.09782	47.2
224.10083	4.8
233.11725	2.0
253.14459	27.2
254.14734	2.4
265.10858	4.6
325.12769	1.9
344.07776	3.3
367.33319	1.7
385.15067	6.5
385.21329	3.3
395.22409	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99604	2.2
57.03439	3.5
59.01362	3.4
75.00873	9.2
79.51389	2.7
85.02954	8.6
97.06608	6.2
100.69060	3.1
111.72722	2.9
125.09689	2.9
127.11307	4.2
134.23599	2.5
165.12767	3.7
171.10298	13.0
183.13875	7.9
193.08470	4.4
197.92020	2.6
207.09975	9.3
209.11867	4.0
211.13379	37.0
221.11626	6.0
229.14447	23.7
231.10042	4.6
233.11606	38.2
239.13066	4.5
251.11543	3.8
251.12697	4.8
261.11087	10.6
269.07648	3.0
291.19531	4.9
310.22272	3.5
313.17816	3.3
327.21777	100.0
328.22058	12.1
331.18866	7.7
349.19983	41.0
350.20154	5.2
385.17685	78.1
385.22360	2.8
386.17825	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	385.187
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
55.01882	2.0
57.03446	3.7
58.00595	1.4
59.01384	68.9
60.01709	1.3
61.51197	0.5
61.74483	0.6
69.52167	2.6
71.01387	59.4
72.01729	1.3
72.99298	1.3
73.02953	11.4
75.00839	0.8
83.01395	4.8
85.02958	19.3
87.00867	1.5
89.02451	30.9
94.93941	0.6
95.01399	4.7
95.05042	1.7
97.02959	5.3
99.00875	3.9
101.02451	26.5
105.07089	1.4
107.05013	0.7
108.05831	1.1
109.06603	1.6
111.04555	0.7
113.02456	22.9
113.06108	2.9
119.03507	10.0
121.06628	0.7
122.03748	3.0
123.04518	1.2
123.08197	4.0
125.02441	1.1
125.06075	5.9
129.01968	0.8
131.03506	1.1
134.03787	1.1
135.04533	6.2
135.08160	0.8
136.05321	2.9
137.06087	2.0
138.06885	18.6
138.20789	0.7
139.07675	8.7
143.03532	2.5
149.06053	0.7
151.03998	1.9
151.07661	20.1
152.04823	6.7
152.08449	35.9
153.05656	7.0
153.09227	100.0
154.09569	5.8
159.03003	2.7
161.04579	12.2
163.11287	2.9
165.09235	1.1
167.07178	0.7
176.34096	0.6
176.73026	0.6
179.05602	1.9
189.09207	1.0
190.02759	1.5
190.09955	1.4
205.05063	2.5
205.12341	29.9
206.12726	1.2
223.06311	1.1
223.09911	5.3
223.13367	13.0
224.13765	1.2
233.50879	0.6
270.71335	0.7
301.83270	0.7
304.07034	1.7
385.18997	5.1
386.19168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97303	1.0
59.01387	27.4
61.98835	2.3
65.49149	0.9
67.56960	0.8
69.11884	6.9
72.99306	2.3
73.02965	1.2
74.02469	1.0
83.04995	1.0
87.00887	18.6
97.06588	0.9
103.00386	11.5
112.98819	23.6
113.99159	1.6
130.99875	2.5
149.00926	3.1
169.12360	4.4
177.12828	2.3
195.13907	29.1
196.14145	1.4
202.48540	1.2
206.03470	1.0
235.17055	9.9
253.18106	100.0
254.18475	9.2
265.17538	1.2
276.57321	1.1
282.96945	1.0
385.18484	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	385.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98508	5.4
61.98833	100.0
69.65234	6.8
79.83121	3.4
90.23335	3.0
102.95288	3.2
130.08835	2.8
140.71799	2.7
170.85612	2.6
173.10828	2.8
210.74203	3.2
217.08301	2.6
265.00586	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	385.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08995	56.7
71.13412	78.1
86.78823	66.4
311.16785	100.0
400.42953	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2235
Annotation	Oleandolide
Peak:m/z	Relative Intensity
55.51376	0.7
59.01377	4.7
63.59166	0.9
70.97825	1.3
71.05019	1.0
77.93814	0.8
89.02450	1.2
91.04015	2.3
105.25473	0.7
109.83545	0.8
122.03737	1.5
167.14444	3.5
193.16013	2.2
207.17458	1.8
223.20563	1.8
231.17532	1.0
249.18633	7.9
267.19666	100.0
268.20029	12.1
275.16516	12.5
276.16937	1.2
293.17615	78.1
294.17944	7.6
311.18661	13.1
312.19162	1.2
338.23724	0.8
367.21140	8.1
385.22336	62.1
386.22598	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	386.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53007	13.3
57.03440	49.3
57.57003	13.5
59.01387	100.0
71.01383	63.9
71.40986	15.3
73.02963	34.9
85.02973	47.2
89.02454	54.4
94.02945	13.7
99.92557	16.5
101.02440	53.5
108.44633	16.9
109.02980	23.7
113.02454	56.8
116.92838	24.3
119.03500	23.7
136.80348	13.9
137.09721	35.1
149.02585	13.4
150.03012	13.2
151.03944	15.1
161.02417	19.8
161.04591	34.9
163.07643	33.4
181.08717	63.0
183.02969	17.4
205.08653	18.6
225.11163	23.7
225.14960	23.7
265.79611	16.5
273.67197	15.7
290.07367	18.1
386.09555	66.5
387.24173	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	386.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72686	2.6
57.03447	6.8
59.01384	56.3
65.03989	2.7
70.74250	3.8
71.01385	55.1
72.12943	2.9
73.02946	17.4
73.04076	2.9
83.01351	4.9
85.02962	17.4
89.02462	30.7
95.01420	4.5
97.02932	4.0
99.00890	5.4
101.02461	29.7
113.02477	26.3
119.03484	9.0
123.00932	3.2
125.02433	3.5
134.92639	2.5
137.02438	4.7
137.09746	4.0
138.03304	2.5
138.06894	27.6
141.39429	2.6
149.02414	3.4
151.00247	2.6
153.09225	55.5
159.03000	3.5
161.04594	21.0
177.01935	3.5
178.99763	2.4
179.05676	4.3
194.50125	2.7
207.13953	4.8
225.14967	100.0
250.54115	2.5
260.57730	2.6
272.38388	2.8
343.17758	6.4
359.11722	3.5
386.08627	2.4
387.11008	23.6
387.16113	4.0
387.21243	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	386.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67432	63.8
58.62373	74.5
61.98816	73.2
71.42633	100.0
72.93981	78.1
77.93623	67.1
84.14240	64.7
129.81180	85.1
144.91402	71.5
151.31848	93.0
385.31110	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26866	0.8
59.01386	100.0
60.01711	1.3
71.38218	0.9
85.00439	4.0
103.01509	64.8
116.98458	0.9
141.01682	2.9
157.03593	2.2
159.01549	1.5
174.99178	1.0
184.01122	1.5
185.01219	1.4
199.98830	2.8
201.02571	26.5
202.02788	2.3
203.89627	1.0
229.01228	1.1
243.98773	1.7
245.02687	37.5
246.02803	4.6
297.19849	1.4
310.73322	0.9
387.03583	1.4
412.00607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67803	0.9
57.03445	1.1
59.01383	1.6
60.34170	0.8
64.12398	0.7
65.00318	2.1
68.99815	0.9
78.95923	1.1
80.91692	11.7
81.90306	0.7
82.95425	17.5
82.95881	0.8
83.01393	7.8
85.02975	0.8
87.97256	0.7
88.69313	0.8
89.02425	0.8
95.62331	0.8
96.96969	2.2
98.22646	1.3
107.01396	2.3
109.02943	3.4
121.02953	1.8
123.04529	7.0
125.02450	13.9
137.02408	4.6
138.03224	1.1
149.00888	1.0
150.98956	1.7
151.00374	11.9
151.04019	15.5
152.01025	1.2
153.01949	100.0
154.02293	4.8
158.95761	0.8
161.02516	1.0
163.00296	0.9
163.02391	0.9
164.01196	1.6
165.01923	2.8
167.03479	1.5
168.93069	0.7
179.03485	1.5
189.04082	2.5
191.01993	10.8
192.02284	1.1
192.99889	7.2
203.37715	0.8
206.00725	2.0
207.02983	1.3
225.07726	1.7
233.03069	12.4
234.03275	1.4
235.00891	8.9
305.06625	4.9
306.06729	0.9
309.03812	2.8
327.04782	7.0
387.05005	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	387.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.00582	1.1
59.01385	98.6
60.01720	0.9
61.98836	1.4
62.46205	0.8
69.46450	3.6
71.01387	23.6
72.71799	0.8
72.99300	1.2
73.02937	1.8
82.95406	1.8
83.01385	2.0
85.02950	3.8
87.00893	1.0
89.02452	30.9
95.01429	1.6
95.04993	0.9
101.02451	24.2
102.98627	0.8
110.46593	0.8
113.02458	7.3
119.03506	13.4
121.02986	0.9
125.02432	0.9
131.03482	1.0
137.02448	1.0
143.03491	1.4
149.02452	2.4
163.11298	28.1
164.03079	0.9
164.11571	1.8
177.01935	24.3
178.02319	2.5
179.05690	1.2
192.04297	32.6
193.04799	2.5
207.06639	73.1
208.07005	5.2
225.07762	1.5
343.68393	0.9
387.16626	100.0
388.16888	12.1
392.03934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1455
Annotation	Renealtin A
Peak:m/z	Relative Intensity
57.03452	1.3
57.52359	1.0
58.20592	1.1
59.01392	7.7
61.98823	0.9
64.23068	1.1
71.01376	3.8
71.45022	1.1
73.02935	2.0
85.02944	1.5
89.02438	1.8
93.03450	1.2
101.02450	2.3
109.02953	1.4
113.02437	2.0
120.33620	1.0
121.02958	1.6
121.06538	1.4
123.00906	6.0
131.05075	2.2
134.03751	1.7
135.04453	2.6
136.01662	3.5
137.02473	9.5
138.03238	13.7
145.06615	1.5
146.03775	3.4
147.04538	3.3
148.05333	10.3
149.06102	9.4
151.03978	3.6
153.05594	26.9
154.05843	1.4
158.03752	3.4
159.04523	17.0
160.05302	23.0
161.02422	1.4
161.06151	6.3
162.03204	4.5
162.06798	1.0
163.03984	2.6
163.11295	2.6
164.04849	1.2
165.01949	6.4
173.02380	1.6
173.06100	2.3
174.03221	8.4
175.03934	2.4
175.07649	10.1
176.04787	5.8
176.57222	1.1
177.05588	100.0
178.06363	34.8
179.03580	2.6
179.06950	1.5
180.04311	6.9
181.05074	2.2
181.12318	7.4
187.04018	9.7
188.04791	15.8
189.05110	1.5
191.07143	32.2
192.04295	3.5
192.07899	17.3
193.08559	2.3
194.05815	1.6
195.06612	3.4
197.37437	1.2
203.07153	94.6
204.07526	6.5
205.04980	1.7
206.05876	22.9
210.05353	11.4
211.32086	1.1
219.06601	3.4
220.07368	7.3
221.08203	93.2
222.08572	5.0
224.06889	22.6
225.07605	1.2
225.11378	25.6
226.11728	1.9
231.30037	1.1
233.08205	2.0
238.06316	1.5
249.05609	1.3
255.15858	1.1
267.06433	1.4
268.07538	1.8
271.99603	1.1
277.05145	2.1
283.06131	1.4
295.06061	1.3
296.06711	1.9
298.08612	1.4
299.09070	1.1
306.42035	1.1
307.05881	1.3
309.07861	1.5
310.08023	1.3
311.09378	2.1
312.06485	1.4
313.10837	4.2
321.07608	1.3
324.06506	1.8
325.10876	2.3
326.11710	1.5
327.08682	2.5
328.09521	1.7
329.13782	2.5
339.08768	7.8
341.13959	3.9
343.11792	5.9
343.24887	2.9
344.12592	1.3
345.22702	1.5
354.11087	3.0
357.09769	1.7
357.13428	8.2
369.13437	25.6
369.22986	1.4
370.13843	3.9
372.11981	1.3
387.14594	31.1
387.23920	12.6
388.14966	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	387.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
59.01387	94.9
60.01707	1.3
61.98827	0.7
64.15723	0.8
70.47526	1.9
71.01388	22.1
72.63545	0.8
72.99294	1.1
73.02956	1.3
74.02500	1.0
83.01367	1.4
85.02948	4.9
85.06589	1.3
87.00871	1.3
89.02454	19.1
95.01398	1.5
101.02470	13.9
109.06589	0.9
113.02451	7.2
119.03527	7.0
125.02473	1.1
129.10349	1.7
130.08775	1.7
137.02454	1.1
143.11943	1.1
147.08159	1.0
163.11304	49.1
164.11629	3.1
167.10497	0.8
171.15567	0.9
179.05699	1.2
207.10291	1.6
209.11942	1.0
225.07703	2.4
225.15060	1.1
242.18683	1.1
281.74478	0.9
292.03748	0.8
343.19812	1.2
357.21185	1.8
369.15619	0.9
387.16644	100.0
388.16977	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	387.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.1
57.03449	2.8
58.45100	0.8
58.90594	0.8
59.01384	51.4
61.98832	1.0
63.62823	0.9
69.23208	3.1
69.23593	1.7
70.08080	0.8
71.01392	15.2
71.05035	2.1
72.99326	1.8
73.02952	73.6
74.05441	1.1
82.89528	0.8
83.01423	1.5
83.05043	1.4
84.99323	2.5
85.02969	4.2
87.00885	24.5
87.04514	1.6
89.02451	8.2
97.06589	1.1
98.60703	1.0
101.02455	5.9
103.00379	15.2
107.61228	0.9
111.08217	1.1
112.98826	28.5
113.02481	5.2
115.96049	0.9
119.03528	3.2
122.06133	2.0
123.08205	1.5
129.09270	2.5
130.99860	3.6
132.04636	1.3
149.00958	2.2
153.09207	1.7
155.10866	1.1
161.04587	3.6
163.11317	2.5
164.34210	1.0
164.96439	0.8
166.97832	0.9
181.12378	7.4
193.12213	1.0
193.15941	2.4
207.13811	1.4
209.15569	1.0
211.17029	4.3
225.11349	2.9
225.14973	2.6
255.16046	100.0
256.16348	9.8
311.10245	1.3
326.73184	0.9
387.11993	1.9
387.16473	11.2
387.24164	6.9
388.16745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.9
59.01387	4.7
61.98832	3.0
70.62253	1.2
71.01402	0.7
71.05032	0.5
72.19921	0.6
85.06593	2.2
87.00901	4.2
99.08156	1.4
112.98820	1.0
149.00807	0.7
193.15985	24.8
194.16301	1.3
211.17107	1.2
219.77052	0.6
237.14970	24.8
238.15311	2.1
242.62277	0.6
243.06708	0.8
255.16031	100.0
256.16394	9.0
327.21802	0.8
387.14282	1.6
387.24057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.74444	0.5
57.03454	1.0
59.01386	90.7
60.01722	1.3
60.88961	0.6
69.19206	2.2
69.19613	1.4
71.01389	17.3
72.99303	0.6
73.02972	1.0
83.01428	1.5
85.02959	3.7
85.06597	5.7
89.02451	15.4
95.01405	1.5
101.02454	11.9
101.09202	0.6
109.06650	0.6
110.44367	0.6
112.63169	0.6
113.02454	6.2
113.06110	1.1
115.04056	1.1
119.03506	5.9
143.03479	0.7
150.70311	0.6
163.11314	4.9
179.05620	0.7
189.07704	1.2
207.10306	14.2
208.10672	1.4
387.16638	100.0
388.17004	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	387.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.7
57.03453	1.4
58.00600	0.7
59.01386	100.0
60.01717	1.4
68.46579	0.6
71.01389	29.9
71.43698	0.5
72.01749	0.7
72.99313	0.8
73.02954	4.4
75.00883	0.4
83.01393	2.5
85.02959	9.5
87.00894	1.5
89.02454	27.8
93.03450	0.5
95.01409	2.0
95.05086	0.6
97.02982	0.6
99.00915	1.1
101.02453	20.3
102.02789	0.5
102.98576	0.5
113.02467	11.0
114.02827	0.7
119.03511	11.2
121.06655	0.7
125.02480	0.6
125.75098	0.4
131.03502	1.1
135.04544	0.6
136.01689	1.7
137.09726	1.2
143.03500	1.4
149.04616	0.8
151.04051	1.3
159.03032	1.1
161.04575	6.2
163.11302	13.2
164.11714	0.5
166.02737	0.6
179.05637	1.4
181.05156	0.6
189.12878	4.6
190.05148	1.3
207.10320	2.4
207.13919	1.2
225.11415	1.1
225.14888	2.2
387.16620	65.1
388.16968	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	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01891	3.2
57.03460	6.0
58.00599	0.8
59.01385	100.0
60.01722	1.3
61.98823	1.3
69.03465	2.1
69.82664	2.0
71.01389	53.5
71.05032	1.5
72.99298	1.2
73.02957	13.3
75.00867	1.1
81.03469	1.3
83.01386	7.5
85.02959	21.6
87.00884	2.0
89.02453	23.9
95.00889	0.6
95.01376	4.0
95.05042	9.5
97.02970	2.1
99.00883	5.5
101.02450	35.6
102.02768	1.0
107.05038	1.2
109.06599	2.8
111.04515	0.8
113.02463	22.4
114.42786	0.6
116.92828	0.8
119.03522	9.3
123.08226	0.7
125.02473	1.3
129.01939	0.9
130.08691	1.6
131.03577	1.3
137.02515	0.7
137.09755	1.8
138.06885	14.0
141.68010	0.8
143.03490	2.2
143.11916	1.0
147.08179	1.4
150.07004	0.7
153.09222	31.9
153.10478	1.6
154.09543	1.3
159.03018	4.7
161.04568	20.1
163.11301	17.3
164.11655	1.1
165.09225	2.1
179.05632	1.8
181.01428	1.2
181.12379	0.9
193.01411	0.7
194.49019	0.7
196.03688	0.9
207.10283	8.5
207.13914	2.5
208.10628	0.9
208.14319	0.7
225.11430	25.2
225.14958	52.1
226.11699	1.9
226.15363	4.1
227.03557	1.1
255.02948	1.2
267.01642	0.8
267.12463	1.1
285.03995	1.9
357.21231	1.5
387.16461	97.9
387.20328	9.1
388.16830	10.5
388.20923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.7
59.01384	20.3
64.72961	1.2
70.36901	1.2
71.01385	9.0
71.05022	1.8
73.02957	8.2
81.86488	1.0
85.02959	4.1
85.06613	1.2
87.04507	2.0
89.02459	7.4
95.05055	3.0
97.06615	1.2
101.02456	8.0
101.06121	1.0
102.70419	1.0
105.01913	1.4
109.02966	3.1
109.06622	1.7
111.08154	1.3
113.02460	5.8
113.06095	1.7
119.03512	1.6
123.08090	1.3
133.02940	3.7
134.32317	1.1
135.04547	1.4
136.01666	2.1
137.02464	3.7
143.03535	1.1
151.04053	2.3
153.05579	2.0
153.09247	1.1
159.04575	1.6
163.11330	8.8
174.03236	1.1
177.05592	8.7
178.06381	1.8
179.05632	1.3
181.12369	29.6
185.11876	1.3
187.04082	1.4
188.04790	1.8
191.07140	2.3
192.07928	1.5
203.03391	1.0
203.07153	6.0
205.12302	1.4
206.05856	2.0
207.10236	3.1
221.08157	6.3
223.13388	1.3
225.11349	100.0
226.11642	6.8
243.12352	1.7
249.11372	3.7
255.15962	1.9
267.12390	4.0
297.13519	1.6
313.10556	1.3
327.14417	1.9
327.21786	2.7
345.22861	3.1
348.79150	1.5
369.22916	2.3
387.15631	3.3
387.24002	18.9
388.24182	1.3
396.35992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1667
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03434	0.7
59.01384	7.7
61.98832	0.6
62.56371	0.6
67.00468	0.5
69.48253	0.9
69.48643	1.4
71.01399	5.0
73.02946	3.9
83.05001	0.5
85.02962	3.0
89.02480	3.4
93.03444	0.5
95.01411	1.6
95.05040	2.4
97.06623	0.5
101.02450	3.5
109.06620	0.8
111.08242	0.7
113.02448	5.6
119.03478	1.1
121.03010	0.5
123.04516	0.9
137.02406	0.6
137.06155	0.7
140.29491	0.5
143.03557	0.6
161.04573	1.8
161.09756	0.8
162.67957	0.6
163.11328	4.7
172.27074	0.5
181.12405	15.9
205.12373	1.1
223.13420	1.3
225.11346	100.0
226.11670	6.9
243.12384	0.5
249.11327	5.6
255.16003	1.0
267.12415	2.1
357.09775	0.9
387.10922	0.9
387.16272	1.8
387.24042	5.8
399.85999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.1
57.03449	2.8
58.45100	0.8
58.90594	0.8
59.01384	51.4
61.98832	1.0
63.62823	0.9
69.23208	3.1
69.23593	1.7
70.08080	0.8
71.01392	15.2
71.05035	2.1
72.99326	1.8
73.02952	73.6
74.05441	1.1
82.89528	0.8
83.01423	1.5
83.05043	1.4
84.99323	2.5
85.02969	4.2
87.00885	24.5
87.04514	1.6
89.02451	8.2
97.06589	1.1
98.60703	1.0
101.02455	5.9
103.00379	15.2
107.61228	0.9
111.08217	1.1
112.98826	28.5
113.02481	5.2
115.96049	0.9
119.03528	3.2
122.06133	2.0
123.08205	1.5
129.09270	2.5
130.99860	3.6
132.04636	1.3
149.00958	2.2
153.09207	1.7
155.10866	1.1
161.04587	3.6
163.11317	2.5
164.34210	1.0
164.96439	0.8
166.97832	0.9
181.12378	7.4
193.12213	1.0
193.15941	2.4
207.13811	1.4
209.15569	1.0
211.17029	4.3
225.11349	2.9
225.14973	2.6
255.16046	100.0
256.16348	9.8
311.10245	1.3
326.73184	0.9
387.11993	1.9
387.16473	11.2
387.24164	6.9
388.16745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39928	0.6
54.53919	0.6
55.01876	1.1
57.03440	2.4
58.00592	1.2
59.01386	45.9
61.98820	0.9
65.57401	0.7
66.03362	0.6
69.03450	1.2
71.01388	14.9
71.05020	2.4
72.99319	2.1
73.02953	61.6
74.02503	0.7
74.03272	1.5
79.67552	0.6
83.01391	1.0
83.05051	1.3
84.99326	1.6
85.02960	4.7
85.06597	1.7
86.49311	0.8
87.00887	22.1
89.02457	9.4
95.01407	1.1
97.06594	0.9
99.00922	0.8
101.02467	9.3
103.00384	15.7
111.08141	1.4
112.98828	24.1
113.02464	6.5
119.03498	2.7
123.08164	1.8
125.02453	0.9
129.09273	4.2
130.99879	2.3
131.03465	0.7
135.08203	1.5
137.09674	0.9
138.06967	0.7
143.03548	0.8
149.00926	3.0
149.02063	0.7
153.09204	1.8
161.04553	5.0
163.11311	2.8
175.14914	1.1
179.05672	0.8
181.12402	8.4
189.12920	0.9
193.15997	1.6
207.13879	1.5
211.17082	5.8
225.11385	3.9
225.14932	4.0
255.16039	100.0
256.16409	9.4
285.34323	0.9
311.10422	1.3
387.11438	0.9
387.16315	8.6
387.24402	4.0
388.16840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37692	1.2
57.03452	1.8
69.41747	1.8
69.42063	7.7
70.86330	1.2
75.00893	5.5
89.29542	1.5
99.08167	5.3
125.09757	2.9
127.11318	3.4
139.11292	1.6
155.14503	1.7
157.12456	1.6
165.12868	6.1
167.14484	2.3
171.10284	9.8
183.13875	6.9
184.80888	1.7
193.08464	3.4
193.12305	3.1
198.76764	1.4
211.13409	43.7
211.15381	2.8
212.13762	2.8
214.09457	1.4
221.11609	2.3
229.14436	26.4
230.14812	2.8
231.10078	3.3
233.11598	36.9
234.12056	4.3
249.11171	3.0
251.12592	9.6
311.22253	1.8
329.23349	100.0
330.23730	11.6
351.21585	29.8
352.21936	2.3
387.19214	99.5
388.19623	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	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
57.03451	6.9
58.00596	0.6
59.01385	43.8
60.01726	0.5
69.03449	0.7
69.40195	0.6
69.40601	0.9
71.01389	50.5
71.05023	3.7
72.01743	1.0
72.99321	0.8
73.02953	12.3
75.00889	0.8
77.96381	0.3
81.03488	1.3
83.01396	4.2
85.02959	17.5
87.00874	1.7
89.02454	21.8
90.02821	0.4
95.01401	4.1
95.05045	2.3
97.02969	3.3
98.03784	0.7
99.00892	4.4
99.08186	1.0
101.02454	25.6
102.02802	0.4
102.98617	0.7
109.06604	2.6
111.00896	0.4
111.04549	1.4
113.02466	20.7
113.06094	0.7
113.09721	0.4
119.03516	7.3
122.03780	0.8
123.08189	1.4
125.02455	1.1
125.06137	0.3
128.00334	0.2
129.01976	0.7
131.03540	0.6
135.08203	0.7
136.05333	0.4
137.06091	1.0
137.09692	2.3
138.06885	28.1
139.07292	1.1
143.03522	2.4
144.03992	0.3
149.04573	0.5
149.09761	0.5
150.06883	0.7
151.07671	0.5
152.08365	0.4
153.09230	70.4
154.09566	4.0
155.10754	0.4
159.03009	3.9
161.04575	18.0
162.04976	0.7
163.11275	0.5
165.12875	1.2
179.05632	2.2
192.11589	0.4
207.13896	6.0
208.14355	0.3
225.14980	100.0
226.15305	7.3
387.16147	0.4
387.20282	3.0
388.20648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Icariside B5
Peak:m/z	Relative Intensity
53.34975	0.4
55.01884	3.1
57.03456	7.9
58.00607	1.1
59.01385	61.7
60.01712	1.0
69.03463	1.1
69.47611	0.8
69.47994	0.8
71.01390	60.9
71.05038	2.8
72.01726	1.3
72.99319	1.4
73.02953	14.2
74.14296	0.4
75.00888	0.6
81.03492	1.2
83.01402	5.2
85.02958	22.3
86.03293	0.5
87.00886	2.5
89.02454	25.8
90.02794	0.7
93.14159	0.4
95.01398	4.7
95.05052	2.1
97.02957	3.8
98.03750	0.5
99.00887	5.1
99.08163	0.8
101.02454	36.8
102.02777	0.6
109.06609	2.3
111.04562	1.4
113.02460	25.8
113.06087	1.0
114.02782	0.9
119.03517	9.9
121.06586	0.4
122.03818	0.7
123.08176	1.2
125.02464	1.8
129.01993	0.9
131.03535	1.4
135.08105	0.4
136.05374	0.7
137.06097	0.9
137.09718	2.4
138.06880	25.9
139.07230	0.9
143.03514	3.1
149.04584	0.7
149.09746	0.6
152.08279	0.4
153.09227	64.0
154.09570	3.3
155.10815	0.7
159.02998	4.2
161.04576	21.6
162.04921	1.0
163.11288	1.3
165.12889	1.2
166.43243	0.4
179.05634	1.8
181.12471	0.5
189.09843	0.4
192.11575	0.4
207.10365	0.7
207.13943	5.7
208.14279	0.6
225.11357	4.0
225.14978	100.0
226.15300	6.3
387.16354	4.9
387.20303	12.9
388.20554	1.7
400.00708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.1
57.03450	3.2
58.00594	1.4
59.01383	100.0
60.01724	1.2
69.38023	1.6
71.01388	57.8
72.01743	0.6
72.99310	0.9
73.02950	9.7
81.03490	0.7
83.01393	4.0
85.02955	16.4
86.03321	0.6
87.00869	2.6
87.33606	0.5
89.02450	53.5
90.02813	1.0
95.01379	3.9
97.02984	0.9
99.00879	3.1
101.02451	40.0
102.02756	1.0
111.00877	0.7
113.02463	25.7
119.03513	22.8
125.02487	0.8
131.03549	2.3
136.05368	1.0
138.06909	0.7
139.36159	0.5
143.03519	3.5
149.04596	1.4
150.98578	0.6
151.07715	0.6
152.08423	6.1
153.09238	1.4
156.21458	0.5
159.03033	2.8
161.04572	11.1
163.11356	2.1
179.05641	5.9
207.10635	0.6
207.14023	1.0
221.23671	0.5
225.11401	0.6
225.14928	4.6
387.20377	39.5
388.20642	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	387.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.1
57.03453	4.3
58.00593	1.2
58.99604	0.5
59.01384	86.0
60.01726	1.0
69.03458	0.5
71.01385	50.6
71.05007	0.6
72.01726	0.9
72.99318	1.7
73.02955	10.7
74.34723	0.4
76.49764	0.4
83.01399	6.4
84.02185	0.4
85.02955	19.4
86.03291	0.5
87.00877	2.5
89.02452	39.5
90.02772	0.8
95.01395	4.4
96.96017	0.9
97.02935	0.7
98.21876	0.7
99.00872	3.4
101.02451	38.9
102.02812	1.0
102.98597	3.9
109.02947	0.6
111.00884	0.5
113.02461	19.2
114.93415	0.8
119.03512	17.7
120.03853	0.6
123.08170	0.5
125.02441	1.6
129.01984	0.8
131.03482	1.3
137.09744	2.1
142.06653	1.0
143.03499	2.2
149.04530	1.1
151.07637	0.6
151.11317	1.1
152.08426	1.6
153.12827	0.6
159.03001	1.5
161.04579	7.1
163.11301	0.8
179.05620	2.8
179.14452	0.6
181.05052	0.5
181.12381	0.6
195.13914	2.3
197.15462	2.0
207.13840	2.5
225.07697	1.3
225.14980	20.1
226.15381	1.5
245.09222	0.8
325.05203	0.4
343.06180	1.8
387.20270	100.0
388.20593	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	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98845	71.9
95.34644	70.7
108.38256	64.1
111.42767	55.6
152.27715	56.7
165.75713	52.7
242.53558	69.6
325.37939	56.9
401.74792	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86567	84.1
54.53210	84.9
61.11731	72.2
67.43981	72.4
86.13786	74.4
90.63507	81.6
90.64109	100.0
99.79579	71.9
105.52687	71.8
107.20586	69.3
149.68954	76.1
387.11691	85.1
412.21127	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95552	71.1
58.65301	74.7
59.01383	76.4
61.98814	99.8
68.29168	86.5
70.95174	88.7
107.37833	81.7
115.55896	77.9
130.75415	100.0
153.95842	75.3
159.04433	86.7
185.38545	78.2
198.28049	87.9
257.38766	83.3
274.80469	83.9
284.36295	92.4
400.20956	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05264	1.9
53.12850	2.1
54.09689	2.0
55.01884	2.9
57.03447	4.7
59.01385	90.0
60.01719	3.7
66.78492	2.0
68.36667	2.0
69.94930	7.4
71.01389	60.3
71.04993	2.0
72.01733	4.7
72.99345	2.6
73.02947	16.5
83.01394	6.0
84.00895	2.7
84.93890	2.6
85.02954	22.5
86.03316	4.7
89.02457	44.0
90.02792	2.5
95.01398	4.6
99.00870	2.9
99.92599	15.0
100.93372	16.1
101.02458	46.6
102.02796	4.1
109.02956	5.2
113.02449	27.4
114.02785	3.6
115.92097	23.1
116.92876	100.0
119.03513	18.6
122.03709	2.7
125.02468	3.9
131.03477	2.2
134.03758	14.5
137.02461	3.0
138.06921	2.9
149.02516	3.8
149.04588	3.2
149.06102	1.9
150.03233	14.2
151.04076	1.9
153.09210	8.2
154.09540	5.7
155.93887	3.0
159.03036	3.2
161.04572	12.3
162.04890	4.4
165.05560	16.0
178.02684	4.6
179.05667	3.4
183.10303	15.1
193.05072	14.1
195.06644	4.6
198.16029	2.1
206.92989	2.1
225.11354	2.8
225.15021	10.1
226.15320	16.4
241.00745	3.1
265.00766	2.9
283.01819	2.3
315.00729	4.6
322.30615	2.4
327.00696	4.0
341.10236	7.0
388.16660	4.1
388.20578	20.1
389.00858	8.7
389.12766	3.2
389.17938	7.5
389.22540	10.9
404.54816	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	388.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.5
59.01388	68.6
61.43396	4.6
71.01388	44.4
72.01740	6.0
73.02955	9.2
82.29546	4.6
83.01383	5.9
85.02966	16.7
89.02442	28.5
101.02463	27.0
113.02478	18.4
119.03520	14.3
121.02947	22.9
122.03735	13.2
133.02924	5.9
134.03769	77.7
135.04561	9.6
137.02469	7.2
137.36302	4.7
149.02448	39.4
149.06062	23.2
150.03247	98.5
161.04573	11.7
165.05589	100.0
170.02502	5.1
178.02711	30.1
180.04295	5.4
183.10297	22.5
189.81725	4.7
193.05081	90.5
195.06618	55.2
227.16727	6.2
231.56850	4.7
238.68953	4.7
239.07196	5.4
282.09024	9.3
341.10361	56.1
388.20477	6.2
389.12759	7.7
389.17581	9.5
389.21930	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	388.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73829	0.9
55.74897	1.1
57.03441	3.2
57.65839	0.8
57.69328	1.0
59.01376	6.4
60.99295	1.0
69.27827	1.6
69.28230	4.3
69.52444	1.0
71.01385	1.4
72.00903	1.0
74.02482	65.3
75.90965	0.9
86.02461	1.6
98.21878	1.9
101.02447	3.2
104.03542	16.3
104.94961	1.0
111.08167	2.0
113.02465	1.9
118.42853	0.9
127.11260	1.3
132.21489	0.9
141.12912	1.5
165.12839	7.5
183.13931	20.3
197.15469	1.0
207.13857	2.8
221.19141	27.7
222.19519	2.6
227.10654	1.8
227.12897	27.9
237.18704	1.3
239.20247	5.4
251.12927	1.5
257.17618	5.8
259.13794	1.3
265.18146	13.6
266.18408	1.7
269.13919	1.7
283.19205	19.6
296.22266	7.2
301.20157	3.7
314.23407	4.7
326.23370	5.7
329.16003	2.4
340.21384	1.3
344.24554	1.1
358.22388	31.4
359.22794	3.0
370.22433	7.0
388.23462	100.0
389.18539	1.4
389.23871	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	389.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01385	7.6
71.01389	3.2
71.40923	0.4
72.99302	1.0
73.02951	1.0
74.99077	0.5
82.95479	0.7
84.93886	2.2
85.02948	1.2
87.00884	0.6
89.02446	1.7
99.92595	16.7
100.92667	1.0
100.93372	16.5
100.94061	0.8
101.02444	2.1
101.93391	0.9
109.03007	0.5
109.93418	1.2
111.94962	1.4
113.02466	1.1
115.92089	30.2
116.05042	0.4
116.92871	100.0
117.92895	5.5
117.93645	0.7
119.03551	1.0
120.43804	0.4
120.99570	0.4
121.02951	1.0
122.03725	0.8
125.92915	1.5
126.93675	0.6
127.94485	0.7
128.92859	0.5
130.06606	0.5
132.92372	0.4
133.02913	0.6
134.03751	5.7
135.04503	1.3
137.02509	0.9
140.92868	0.5
144.04562	0.5
147.04614	0.5
149.02452	2.5
149.06126	0.9
150.03239	7.6
151.03981	0.7
153.09236	0.4
155.06180	0.4
155.93983	5.1
156.92380	1.0
157.07719	2.1
161.04683	0.6
165.05605	7.5
169.95546	0.9
175.04062	0.9
178.02725	2.5
180.04279	0.5
189.05573	0.4
193.05092	7.0
195.06664	4.0
197.95041	1.1
209.11862	0.4
212.93779	0.5
225.11624	0.4
226.11694	0.5
241.00777	1.2
241.99237	1.1
259.01514	0.5
262.79593	0.4
265.00583	0.6
272.99817	1.1
283.01819	1.6
295.11099	0.5
299.01111	0.6
313.48752	0.4
315.00711	3.2
327.00928	3.1
328.01349	0.5
341.10364	1.9
345.01941	2.7
345.06030	0.6
358.99918	0.5
389.00830	5.9
389.12549	1.1
389.17975	1.8
389.25821	0.4
390.01035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.7
68.59644	1.5
71.01388	4.0
71.40987	2.3
85.06597	19.7
87.00902	2.0
89.02445	5.1
101.02425	3.1
104.02679	5.5
113.02444	2.9
113.06068	3.5
117.27277	1.4
123.04486	1.7
128.56171	1.3
129.05586	2.6
134.03764	2.9
135.04556	2.2
137.02460	1.6
148.01727	7.4
149.02277	1.9
149.06064	1.4
149.71313	1.4
150.03218	3.3
158.99918	1.4
163.03989	1.8
164.04832	1.4
165.05621	3.6
176.01164	63.1
177.01512	3.3
178.02602	1.6
189.07753	1.7
191.03528	100.0
191.25217	1.6
192.03886	5.5
193.05048	3.8
341.10257	2.0
343.40399	1.5
372.47992	1.5
389.08453	1.4
389.17801	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	389.067
Annotation	Batocanone
Peak:m/z	Relative Intensity
59.01388	1.8
65.00325	2.1
82.79010	1.2
89.00335	12.6
93.02874	2.1
93.03465	42.7
94.03823	0.9
98.02261	1.0
102.62254	1.1
103.01904	1.7
109.21706	1.0
117.03461	10.5
126.91036	0.9
128.55792	1.1
131.01399	12.6
147.00839	1.5
149.42914	1.1
159.04527	1.2
161.02390	1.2
175.00388	22.3
176.01053	3.3
176.98286	10.7
183.04539	5.7
185.02444	6.8
195.04504	2.9
197.02538	1.2
207.04475	2.6
223.04146	5.3
227.03514	10.5
251.03491	7.1
253.01405	5.4
267.03009	2.3
269.04556	2.1
294.25482	1.0
295.02490	100.0
296.02881	8.3
313.03571	1.9
315.12387	12.3
330.14667	2.5
374.13690	3.6
389.06699	86.3
389.15652	13.0
390.07129	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	389.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
57.03453	13.3
59.01384	14.7
61.98812	0.6
68.99798	0.6
69.03458	0.7
70.23495	1.4
71.01390	7.2
72.99316	1.6
75.00887	2.0
79.05552	2.6
80.91672	0.9
83.01407	3.1
84.02170	1.6
85.02957	100.0
86.03302	1.5
87.00873	1.2
89.02448	6.4
100.01058	0.6
100.75774	0.5
101.02460	2.5
103.00404	1.5
109.02992	0.8
111.00906	4.0
113.02443	3.8
115.00380	0.5
119.03524	2.5
121.02973	3.1
121.06625	7.4
123.04556	2.5
123.31683	0.6
129.01949	8.9
133.01436	0.6
141.00475	1.1
147.03006	11.9
153.05594	1.5
161.04536	0.5
163.02501	0.5
163.69547	0.5
165.05582	8.4
167.03410	0.7
173.00931	1.6
179.05658	0.9
191.01994	15.9
197.04568	3.4
209.03038	6.7
209.04645	2.2
213.44191	0.6
297.04398	0.6
302.09897	0.6
345.17438	0.7
346.96140	1.3
389.07202	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	389.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03458	1.2
58.00602	1.5
59.01386	100.0
60.01735	1.4
68.58643	0.6
69.03464	13.5
70.53992	1.3
71.01389	54.6
72.01740	1.1
72.99324	2.1
83.01403	2.4
85.02961	8.3
87.00888	2.0
87.05623	0.6
89.02455	74.8
90.02820	1.2
95.01424	2.7
101.02454	21.5
101.03104	1.3
102.02831	0.8
113.02463	32.2
119.03516	27.3
120.03894	0.9
121.06663	0.6
128.96501	1.7
131.03531	2.6
137.09465	0.6
143.03499	4.7
149.04565	2.1
161.04568	4.9
172.94252	0.7
172.95464	4.2
179.05635	14.2
180.06085	0.9
275.07730	1.0
389.02615	3.8
389.11038	2.1
392.94022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.1
59.01387	8.0
61.98837	2.0
69.03462	77.3
69.92490	2.7
69.92833	2.6
70.03794	1.5
71.01363	2.5
79.05548	1.8
85.02953	4.3
87.00895	3.7
89.02450	3.5
93.03516	2.5
102.91718	1.6
104.64535	1.6
106.04262	1.9
109.03000	1.6
112.98762	1.7
113.02460	100.0
114.02811	4.0
114.05633	5.5
119.05051	2.7
121.06602	17.8
123.04549	3.0
128.03514	1.5
139.86975	1.7
153.70154	1.5
165.05573	14.2
209.04616	12.4
271.21439	1.6
381.33780	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	389.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15076	1.1
59.01381	6.5
60.05809	1.3
61.98830	4.0
69.03465	54.2
70.98727	1.3
71.01385	2.9
73.44453	1.1
79.05554	1.9
85.02965	2.4
87.00900	2.5
89.02470	3.5
100.80735	1.7
101.02424	1.5
113.02466	100.0
114.02760	2.0
114.05624	10.9
119.03452	1.4
121.03033	1.2
121.06615	4.7
123.04565	1.8
128.39577	1.1
159.35402	1.1
165.05591	3.7
192.35939	1.3
209.04556	3.2
255.35487	1.3
372.63553	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03453	10.6
59.01384	22.7
61.98848	1.4
64.91137	0.9
65.03944	1.2
69.03481	1.4
71.01396	8.4
72.99306	3.0
75.00882	3.7
77.42141	0.8
78.95876	1.4
79.05544	7.0
80.02695	1.2
80.91686	1.1
81.03495	1.5
83.01379	5.1
84.02175	2.0
85.02960	100.0
86.03305	1.8
86.52666	0.9
87.00862	1.8
89.02451	9.5
93.03462	1.6
99.00886	1.0
101.02447	3.4
103.00383	1.6
106.04251	8.4
108.02174	1.2
109.02955	3.9
111.00896	3.1
113.02457	4.6
119.03516	2.4
119.05048	11.9
121.02998	5.1
121.06607	53.8
122.06971	1.3
123.04546	9.3
128.03571	1.4
129.01950	7.5
137.06081	1.5
141.00465	1.2
147.03021	11.2
153.05634	1.1
163.04037	4.1
163.07588	0.9
165.05588	36.6
166.05887	2.1
173.00908	2.2
179.05653	0.9
188.97285	1.9
191.02003	18.5
191.03596	1.9
197.04581	2.1
209.02975	5.5
209.04628	42.5
210.04903	2.2
230.98264	1.6
248.96114	1.0
249.14418	0.9
262.16690	1.0
285.07776	3.8
286.65591	0.9
290.97119	1.8
346.96011	3.3
389.06543	1.3
389.10883	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	389.1246
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
51.12915	0.8
53.01096	0.9
53.18902	0.8
56.36326	0.7
57.01536	0.8
57.03446	1.1
58.37455	0.7
59.01385	19.0
70.41460	0.8
71.01393	4.3
73.02937	1.1
85.02963	1.6
87.00882	1.8
89.02445	1.9
93.03455	3.3
101.02457	2.3
108.02189	1.4
109.02953	0.9
112.98796	1.0
113.02436	2.1
115.07623	1.4
117.03493	1.0
119.03478	1.6
119.05047	1.0
121.02976	7.5
122.03760	12.0
123.04531	8.7
125.02282	0.8
132.02225	1.2
133.02943	5.3
134.03758	90.0
135.04610	6.7
137.02473	5.7
139.03990	1.4
141.09198	1.2
147.04483	2.4
147.11790	2.2
148.01640	1.0
149.02460	20.5
149.06102	17.9
150.03250	71.9
151.04044	23.4
161.02451	4.1
163.04047	1.3
164.04758	4.7
165.05585	60.8
166.05920	3.0
167.29752	0.8
178.02739	32.4
179.03241	2.7
180.04266	3.7
181.05070	15.0
184.31549	0.8
192.04265	2.6
193.05078	100.0
194.05383	5.1
195.06645	21.8
196.06984	1.6
207.06625	2.6
227.16469	1.0
227.23576	0.8
230.93422	0.8
239.07228	1.5
251.07037	0.9
257.17599	13.9
258.17697	1.5
267.06631	3.5
282.09058	4.9
293.21161	0.9
297.11401	2.0
308.07156	1.3
308.57236	0.9
317.54596	1.1
331.87021	1.0
341.10339	30.3
341.14520	1.5
342.10495	3.2
346.06412	0.7
347.17056	1.0
350.91306	0.9
389.12555	9.9
389.17691	1.5
389.25534	13.7
390.12964	1.6
390.25668	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	389.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39141	1.4
53.73618	1.2
55.01871	4.6
57.03455	6.5
59.01385	100.0
60.01721	2.1
69.03448	2.4
69.07822	1.3
69.58913	5.1
71.01389	70.8
72.01755	2.0
72.99310	4.9
73.02950	26.7
79.05539	1.6
81.03487	1.7
83.01402	13.6
83.05054	2.9
85.02963	33.9
87.00872	9.0
89.02457	31.3
90.02805	1.4
93.03480	6.5
95.01397	6.6
95.05053	1.7
97.06590	2.0
98.22634	2.8
99.00922	6.9
101.02458	63.8
113.02467	34.2
113.20659	1.4
114.02793	2.1
115.04039	3.9
117.03447	1.4
119.03507	12.9
121.02966	19.9
122.03764	13.7
125.02454	1.7
131.03488	2.4
133.02979	5.3
134.03760	63.1
135.04533	5.0
137.02475	2.9
138.79102	1.3
141.05617	1.4
143.03520	4.0
149.00946	20.7
149.02463	29.6
149.06108	12.2
150.03247	75.5
151.03587	4.8
151.11311	1.4
153.12920	1.5
159.03017	2.5
161.02495	1.9
161.04575	28.4
161.43222	1.4
164.04814	4.3
165.05586	87.4
166.06024	3.0
175.04175	1.3
177.01949	1.7
178.02745	22.3
179.03468	3.6
179.05650	5.1
180.04291	4.2
184.05286	2.7
187.04060	2.3
191.05708	2.7
193.05086	72.4
194.05333	3.1
195.06647	40.2
196.07079	2.6
197.06108	3.6
197.11838	3.0
197.15494	1.9
198.07034	1.3
213.09216	9.0
214.09570	1.6
227.16583	9.8
231.10295	6.0
239.07137	4.6
250.06386	3.4
257.08060	9.8
257.10614	8.1
257.17459	2.5
267.06638	2.4
282.09094	8.8
341.10324	42.4
342.10645	5.0
345.10742	1.7
347.17212	6.0
389.17831	6.6
389.21719	11.6
389.26489	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	389.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.1
69.72565	9.6
71.01395	11.2
85.02946	3.2
89.02444	4.6
93.03454	2.6
101.02454	9.5
113.02431	5.4
119.03511	2.4
121.02956	14.8
122.03738	12.0
134.03755	66.4
137.02515	4.1
149.02480	19.3
149.06076	17.3
150.03239	88.6
151.03596	3.8
157.07584	2.2
161.04553	4.5
164.04778	5.8
165.05583	96.9
166.05913	7.1
178.02733	34.5
180.04269	6.0
190.06366	3.9
193.05081	100.0
194.05429	4.6
195.06645	45.4
196.06966	3.2
208.07440	3.2
239.07155	2.7
250.06383	2.8
267.06677	3.6
282.08871	8.1
341.10284	36.7
342.10654	6.1
389.16144	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	389.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96758	0.6
57.03453	0.8
58.00593	0.7
59.01386	31.7
68.63483	0.7
69.40933	2.1
71.01014	1.2
71.01387	13.9
72.87482	0.6
72.99296	0.8
73.02946	2.0
83.01396	0.7
85.02966	2.6
87.00902	1.6
87.04523	0.9
89.02454	23.4
95.01416	1.0
97.06586	0.7
98.79652	0.6
101.02464	7.6
113.02483	6.7
113.06103	100.0
114.06436	3.0
119.03516	8.4
123.08218	0.8
131.03508	1.2
135.04550	3.2
137.02464	0.7
143.03546	1.8
149.04660	0.6
149.06122	1.4
152.04762	0.7
161.04575	1.9
165.01888	0.9
171.10327	3.1
179.05608	4.1
179.07178	4.0
180.07930	8.2
184.53172	0.6
194.09497	0.6
195.06781	0.6
201.11349	2.1
208.07381	1.8
215.12971	1.9
217.14577	0.8
223.09764	11.9
257.17612	1.3
259.13727	1.1
289.64230	0.7
293.21414	1.3
329.23318	1.2
347.24515	1.5
371.24420	1.2
389.15720	0.7
389.25497	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	389.1608
Annotation	Pseudolaric acid C
Peak:m/z	Relative Intensity
53.72062	1.0
54.87344	0.9
60.30037	1.0
61.98833	2.0
65.00318	2.0
69.07824	2.2
69.08237	4.4
71.72552	0.9
79.05526	1.0
87.98782	1.0
91.01919	1.5
98.22691	2.0
116.79002	1.0
118.96594	1.0
119.01369	6.0
121.02946	2.0
125.02459	3.1
126.90496	1.8
129.07115	2.5
131.05022	1.2
136.63647	0.9
145.03006	1.0
147.11769	0.9
149.02423	1.4
151.04065	0.9
157.06572	6.2
166.02730	2.1
171.04541	1.5
173.06046	3.0
177.01997	5.8
181.05093	6.6
183.04463	1.1
184.05254	3.2
185.06088	6.3
187.07693	1.9
189.05580	2.1
189.09232	8.1
190.06287	1.2
200.08426	2.1
201.05579	4.1
203.07158	1.3
207.01204	1.0
209.04530	4.7
215.07127	3.8
216.07773	1.7
217.05246	1.5
217.08733	4.6
225.12862	1.3
229.05046	6.0
243.06636	1.2
244.07208	2.1
255.13889	3.6
258.70050	1.0
261.07648	3.9
273.25928	1.0
285.14932	1.9
286.12189	1.2
301.14337	4.9
313.14511	17.7
314.14908	2.2
317.17590	24.1
318.17966	3.6
319.15396	1.6
329.13940	1.6
345.17081	100.0
346.17361	10.5
357.13483	12.5
358.13666	1.5
361.16367	5.4
389.16055	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	389.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34162	2.3
59.01387	15.1
69.91978	3.0
69.92292	3.4
93.03461	2.8
94.00184	1.8
95.01400	3.2
109.45424	2.1
121.02983	17.2
146.03743	17.5
147.04419	2.5
149.02464	100.0
150.02840	4.1
161.06079	6.9
164.04820	25.7
165.05479	6.1
179.07170	19.0
180.07568	2.2
245.13997	2.2
257.17542	4.2
283.09714	3.9
312.09979	22.5
327.12430	85.4
328.12698	10.6
389.15918	2.7
389.25391	6.9
406.54065	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	389.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44183	0.7
57.03438	1.7
59.01387	30.5
61.98832	1.7
71.01399	4.8
73.02952	3.0
76.50745	0.8
85.02953	1.4
87.00900	1.0
89.01989	0.8
89.02435	3.8
95.01438	0.8
97.06626	1.4
101.02444	2.3
103.02296	0.7
107.05039	1.8
107.72245	0.7
108.02148	0.9
111.08201	1.1
112.59113	0.7
112.98886	1.0
113.02456	1.9
113.06097	14.1
119.03506	2.2
121.02930	1.1
121.06583	2.9
123.04519	3.0
123.08161	1.9
125.09717	1.2
135.04533	23.6
136.04858	0.9
137.02470	5.0
138.03204	1.3
147.04543	1.0
149.06102	10.3
151.04005	2.0
152.04794	2.2
159.72620	0.7
161.04729	0.7
163.04092	1.6
164.04744	1.1
165.01953	5.7
167.10814	0.9
171.10304	3.1
179.03511	1.9
179.05936	0.5
179.07150	23.5
180.04449	4.5
180.07930	50.8
181.04776	1.0
181.08310	2.1
182.05855	0.9
183.05904	1.1
185.10312	0.9
192.12204	0.9
194.05836	3.3
194.09451	4.4
195.06598	4.1
195.10295	6.3
201.11383	3.3
208.07445	12.2
208.59662	0.8
212.06967	3.1
215.12909	5.2
222.08946	1.9
223.09772	100.0
224.10138	7.1
226.08473	6.2
235.09941	1.1
239.03291	0.8
257.17664	1.8
293.21320	2.6
300.07788	1.1
311.22321	1.7
315.08737	1.3
329.23529	1.7
341.10358	2.3
345.13467	1.6
346.14331	1.4
347.24335	3.3
356.12494	1.4
359.15079	1.6
361.16580	4.9
371.14914	1.1
371.24487	2.6
389.08704	1.2
389.16104	6.2
389.25470	28.2
390.16254	1.5
390.25525	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95118	0.8
54.37563	0.9
59.01384	100.0
60.01716	2.3
61.98838	1.2
63.01709	0.8
64.16546	0.7
71.01395	1.6
79.98000	0.7
81.07347	0.7
83.03366	0.8
85.02970	1.1
87.20074	0.8
94.92153	1.0
101.02486	1.9
101.80503	0.8
113.02473	1.6
148.22006	0.9
149.49075	1.0
167.10786	45.8
168.11122	3.0
173.46741	0.8
179.63298	0.8
190.02696	2.0
229.05107	1.5
243.06628	2.5
297.80957	0.9
301.00443	0.9
313.10812	0.9
329.16348	0.8
331.11935	3.4
371.15283	1.0
389.11728	1.0
389.16464	5.2
391.61359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60471	0.4
57.03394	0.4
59.01387	4.0
61.98809	0.6
70.05724	0.8
70.06061	0.6
72.99325	0.6
87.00897	4.3
88.19510	0.4
103.00377	0.5
105.37261	0.4
109.02953	0.4
112.98064	0.4
112.98815	1.5
130.99843	0.5
149.00966	0.8
160.21262	0.4
195.17555	27.0
196.17863	2.5
199.23912	0.3
201.09631	0.4
213.18587	0.4
239.16544	33.1
240.16907	2.8
243.06760	0.5
257.17603	100.0
258.17926	8.1
267.04251	0.5
329.14087	0.5
345.13239	0.4
357.13422	0.6
359.94681	0.4
361.87936	0.5
389.06833	0.5
389.18475	1.0
398.12323	0.3
408.45892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87876	0.4
52.76440	0.4
55.01881	1.1
57.03464	0.9
59.01387	76.8
60.01723	0.9
69.73154	1.2
71.01390	14.5
72.99313	0.6
73.02956	4.0
75.00878	0.5
78.01588	0.4
83.01392	2.8
85.02955	5.8
86.03305	0.5
87.00896	1.5
89.02452	7.8
93.03473	2.2
95.01400	1.0
99.00904	1.2
101.02460	13.6
102.02819	0.5
110.67964	0.5
113.02457	6.8
119.03529	3.0
124.42208	0.5
131.03754	0.7
135.04547	3.3
136.25102	0.4
149.09770	0.6
160.04051	0.5
161.02426	0.8
161.04597	1.9
165.12875	1.1
173.04628	3.5
179.03603	0.7
179.05659	0.8
190.05063	3.9
191.05637	12.5
209.11867	1.6
227.12811	0.7
329.16150	0.9
352.10394	0.8
353.08682	3.7
371.17227	1.6
389.18195	100.0
390.18509	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.15681	1.1
59.01385	15.9
66.35847	0.9
71.01396	4.3
73.02945	1.3
83.05046	0.9
85.02955	2.7
89.02452	4.3
95.19203	1.0
97.51187	0.9
101.02463	3.3
105.01936	1.1
111.08183	2.0
113.02498	4.5
119.03522	0.9
127.51476	0.9
161.02538	1.0
161.04485	1.0
162.00371	0.9
165.12851	26.3
166.13156	2.2
173.71468	0.9
177.68988	0.8
183.05795	1.0
183.13914	77.2
184.14246	4.2
187.09731	1.3
190.02766	1.4
195.17647	1.0
197.15479	2.2
207.13945	2.4
209.11879	2.9
225.14984	2.4
227.12904	100.0
228.13200	7.5
236.03242	0.9
251.12914	4.6
257.17557	3.2
293.13828	1.0
347.24570	2.3
371.24182	2.1
389.12305	1.7
389.17813	1.6
389.25409	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	389.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87606	0.4
55.01881	0.8
57.03454	2.1
59.01386	100.0
60.01719	1.1
60.70672	0.5
69.03458	1.2
69.55381	1.9
71.01391	28.4
71.05015	0.7
72.01699	0.4
72.99308	0.9
73.02955	59.9
74.03298	0.8
75.00879	0.9
83.01395	11.9
85.02966	4.3
87.00884	1.7
87.04490	1.0
89.02452	12.5
89.06061	0.6
95.01375	1.2
97.02941	0.8
97.06607	1.4
98.22660	0.8
99.00892	0.9
99.08129	0.7
101.02457	39.4
102.02748	0.9
111.08122	0.5
113.01706	0.8
113.02467	9.3
115.03993	0.6
119.03519	4.2
121.02947	0.7
123.08142	1.9
125.02439	1.0
125.09679	0.6
130.08690	0.5
131.03549	2.5
137.09676	0.7
143.03510	2.5
149.01033	0.4
149.04578	2.0
149.09660	0.5
151.11230	0.7
152.08412	0.6
153.09155	1.5
155.03461	1.3
155.10741	0.6
157.12190	0.6
161.04590	5.8
167.10797	32.1
168.11066	1.8
173.36569	0.4
174.46349	0.5
175.03911	0.6
179.05571	1.2
185.11810	2.4
208.07362	0.5
209.15283	0.4
216.13629	1.0
217.54906	0.4
225.11269	1.1
226.11647	0.6
227.11749	1.4
237.07707	1.0
245.13934	1.0
257.17422	1.2
263.19968	0.7
293.21191	2.1
311.22418	2.0
329.15817	1.9
329.22998	1.5
347.17209	5.7
347.24225	3.4
371.24234	0.9
389.17752	19.8
389.25082	25.2
390.18619	2.4
390.25885	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	389.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.4
57.03454	5.9
59.01385	60.1
60.01712	0.8
61.94902	0.6
68.99873	0.5
69.03471	1.2
69.21767	1.1
69.22168	2.6
71.01387	100.0
72.01710	1.4
72.99321	1.8
73.02951	39.9
74.03293	0.7
75.00883	2.1
76.87032	0.6
81.03479	0.8
83.01395	16.2
84.02186	0.9
85.02956	47.1
85.06600	0.6
86.03280	0.9
87.00869	4.4
89.02455	16.7
93.03455	1.1
95.01388	8.2
97.02935	2.7
99.00891	12.5
100.93342	1.5
101.02452	77.1
102.02779	2.2
108.02184	0.5
111.00877	1.3
112.01755	0.5
113.02459	45.6
114.02800	1.2
115.92036	1.0
116.92856	5.9
117.03559	0.8
119.03510	7.2
120.04639	0.6
121.02981	1.5
122.03753	4.8
123.04537	1.6
125.02409	2.7
129.01967	2.0
131.03537	1.5
131.08684	1.0
132.04645	0.5
133.02968	1.6
134.03757	28.4
135.04132	0.8
137.02461	1.7
137.35101	0.5
143.03484	5.0
143.04283	0.5
146.00514	0.6
147.11824	3.5
147.33534	0.6
149.02467	6.6
149.06102	5.2
150.03236	33.0
151.04033	6.5
159.03015	12.0
161.04572	58.5
162.04907	1.7
164.04836	1.3
165.05582	32.0
165.12834	0.8
166.05931	1.5
178.02733	9.4
179.03239	0.7
179.05632	2.6
180.04288	2.7
181.05127	3.0
193.05069	34.8
194.05438	2.1
195.06654	13.4
196.06934	0.9
209.11870	0.8
209.15471	0.6
227.12741	0.6
227.16512	3.0
250.37920	0.6
261.51279	0.5
267.06573	0.9
282.08960	0.6
341.10208	3.3
357.10547	1.0
389.12427	4.1
389.21893	47.5
390.22137	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	389.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28404	0.6
55.01881	9.0
57.03445	6.8
58.00600	1.0
59.01384	67.1
60.01697	1.1
69.03433	1.1
69.06824	1.5
69.07229	3.5
71.01386	100.0
71.05045	0.8
72.01716	2.2
72.99309	2.6
73.02950	36.1
75.00864	2.1
83.01393	14.6
83.01888	0.7
85.02955	46.5
86.03333	0.9
87.00424	0.7
87.00852	3.7
89.02452	21.3
93.03455	1.6
95.01399	7.0
97.02962	3.2
98.21876	1.6
99.00889	11.2
99.92593	1.7
100.58239	0.7
100.93357	1.7
101.02448	81.9
102.02794	2.1
108.66245	0.7
109.02996	1.2
111.00941	1.1
113.02454	45.3
114.02796	1.6
115.92097	2.8
116.92863	10.4
117.92889	0.8
119.03507	9.6
119.32229	0.8
121.02952	1.7
122.03755	4.2
123.04540	2.1
125.02457	2.8
129.01945	2.0
131.03592	1.2
134.03752	22.8
135.04503	1.3
135.98375	0.8
136.01740	0.8
137.02498	1.4
143.03497	5.4
147.11765	3.3
149.02451	5.2
149.06055	4.0
150.03241	26.4
151.04042	4.6
159.03001	11.6
161.04565	51.5
162.04948	2.2
164.04758	0.8
165.05574	28.6
165.12944	0.9
166.05956	1.7
171.25470	0.8
178.02713	7.2
179.05632	1.7
180.04245	1.9
181.05081	3.1
187.35063	0.7
193.05084	29.4
194.05440	1.6
195.06635	10.1
205.03529	0.9
209.11859	0.9
209.15631	0.9
227.12878	0.8
227.16573	3.1
261.16013	0.7
271.37149	0.8
341.10339	3.5
357.11020	0.8
389.12344	3.3
389.21896	47.1
390.22296	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	389.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11709	0.4
55.01880	1.6
55.95782	0.4
57.03448	1.3
58.00595	1.3
59.01386	100.0
60.01718	1.6
61.01793	0.8
69.03443	0.5
69.51543	0.7
69.51905	1.5
71.01390	54.3
72.01733	1.5
72.99325	1.5
73.01868	0.4
73.02958	5.5
74.87781	0.4
83.01389	3.6
85.02961	12.4
87.00879	2.5
89.02454	60.2
90.02802	1.2
91.02937	0.4
95.01405	4.0
97.02966	0.9
99.00906	1.3
101.02456	35.0
102.02824	1.4
103.02782	0.4
113.02462	23.5
114.02815	0.8
115.04011	0.4
116.92899	0.5
119.03518	27.6
120.03906	1.2
125.02483	0.6
129.02069	0.4
130.08920	0.4
131.03529	2.6
134.03764	0.7
137.09782	0.3
139.11359	0.4
143.03520	3.9
149.01035	0.4
149.04562	1.8
150.56488	0.3
153.09213	0.5
159.03079	0.5
161.04579	8.1
179.05620	7.0
183.10291	0.5
193.05110	0.6
209.11923	0.7
227.09329	1.0
227.16605	3.5
236.32558	0.4
257.08444	1.2
329.97595	0.4
389.21848	14.1
390.22229	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	389.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	8.0
57.03463	6.6
58.00597	1.4
59.01385	89.8
60.01732	0.9
70.46570	0.9
71.01391	100.0
71.05004	1.8
71.43417	0.8
72.01707	1.4
72.99320	2.6
73.02956	38.2
73.03372	2.2
75.00890	1.6
81.03455	0.9
83.01391	16.0
84.02178	1.0
85.02962	46.5
86.03313	1.2
87.00876	5.4
87.04547	1.2
89.02460	31.3
90.02824	0.9
95.01395	9.3
97.02953	3.8
99.00883	11.8
101.02457	89.4
111.00897	3.6
113.02467	45.7
113.03268	2.1
114.02790	1.2
119.03527	13.7
125.02473	2.0
129.01944	2.6
131.03456	1.0
134.03761	4.1
135.04521	2.1
143.03517	6.0
149.00902	4.7
149.02393	1.7
149.04533	1.2
150.02164	1.0
150.03188	5.1
159.03024	9.8
161.02518	1.8
161.04576	46.8
162.04890	2.0
165.05608	5.4
165.12872	1.0
168.97206	0.9
178.02681	2.6
179.05627	2.4
193.05086	5.5
195.06592	2.6
209.11848	1.3
209.15532	2.2
225.15031	1.2
227.16570	7.9
257.10352	2.8
292.43619	1.0
389.21802	76.7
390.22165	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	389.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30647	25.5
69.89016	100.0
163.68300	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00747	20.7
56.48505	23.0
69.42263	100.0
73.98421	19.2
108.75477	22.4
109.58893	20.2
393.95560	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61518	67.0
59.01381	85.4
61.98838	100.0
77.27449	67.4
81.21378	68.6
95.69756	63.5
290.70328	67.8
404.13766	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.8
61.98830	0.8
62.84007	0.4
66.03488	0.5
66.52644	0.4
69.03452	1.9
70.03806	0.7
71.01391	3.1
71.40891	0.4
78.95916	5.9
85.02962	1.5
89.02459	4.8
96.96967	13.8
101.02465	1.5
105.01937	0.6
109.55917	0.4
113.02454	4.3
114.05621	100.0
115.00368	1.3
115.04005	0.9
115.05972	3.0
119.03496	2.2
121.29725	0.4
123.04519	0.4
131.03503	0.6
149.91171	0.4
155.01080	0.4
156.99016	0.5
166.02698	0.8
179.05643	1.4
181.05132	1.4
293.08771	2.9
303.71719	0.4
304.44043	0.4
331.03989	0.5
391.04248	0.7
391.08884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33015	2.1
57.03441	2.8
59.01383	43.5
61.52880	2.2
71.01382	9.5
73.02959	5.4
85.02983	4.9
89.02445	7.0
93.03466	3.1
98.22707	5.2
101.02435	6.1
105.01961	2.5
108.02218	3.4
109.02979	3.1
113.02457	4.0
118.11766	2.2
119.03505	2.3
121.02959	11.2
122.03735	5.9
123.04533	5.2
125.38369	2.5
133.02960	9.0
134.03764	5.8
135.04578	12.3
136.05331	20.4
137.06096	3.2
146.06120	6.8
147.06526	3.4
149.02489	20.1
149.06143	3.9
150.03242	87.2
151.04025	14.5
151.07724	2.6
153.02827	2.2
155.10878	3.6
161.02470	6.3
164.04791	9.1
165.05591	40.8
168.06676	4.8
179.03523	5.6
180.04057	2.7
181.05165	5.1
185.11830	13.8
190.02832	2.6
193.05017	4.8
195.06656	43.9
213.01941	2.8
229.14357	2.6
241.01434	4.1
248.87729	2.5
257.17227	2.6
258.17908	8.5
283.09921	4.6
284.10406	2.7
311.09265	9.2
343.11890	100.0
389.61172	3.3
390.18146	4.3
391.14011	20.5
391.19363	5.2
391.26971	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	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61911	5.7
59.01393	16.8
61.98831	100.0
66.31953	6.4
67.53364	6.4
69.10303	24.0
69.10726	17.9
69.71278	5.9
80.44384	5.9
98.22598	15.8
137.02458	6.6
168.04016	6.7
177.01976	6.4
285.11374	12.8
314.54614	7.1
315.12573	8.7
320.90060	6.9
331.11774	10.1
359.11230	17.0
391.13818	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	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	30.2
61.98840	100.0
69.22745	77.1
75.14098	12.6
76.97900	11.2
93.83436	13.2
113.46827	11.1
127.05133	14.1
134.84462	15.0
149.29202	11.6
164.64093	11.7
370.27411	12.6
391.22406	26.7
392.57758	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	391.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32499	1.5
56.21502	1.6
57.84990	1.3
58.67212	1.2
59.01389	51.6
69.03467	10.2
71.01389	25.7
71.05040	2.1
71.40108	1.3
71.43074	1.5
72.99307	2.0
73.02969	1.7
75.42608	1.3
78.95912	52.2
83.01403	1.4
85.02976	8.5
87.00885	5.4
89.02459	26.6
90.97115	1.4
96.96973	100.0
101.02446	18.2
113.02471	21.2
114.05622	22.2
115.00385	3.3
115.04030	8.1
115.05965	3.8
116.07192	65.5
118.96654	1.9
119.03509	9.3
126.90357	1.4
131.03506	10.8
135.04510	7.3
144.99957	2.0
161.02377	1.8
161.04617	2.3
168.99060	4.1
179.03549	3.9
179.05594	3.7
186.99188	2.1
187.01006	1.7
216.99083	2.3
217.18428	1.3
217.74292	1.4
229.00539	1.4
231.01959	1.7
293.08823	88.6
294.09186	6.5
331.04141	10.1
391.04581	8.9
391.09036	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	391.065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.8
59.01382	56.3
69.03460	8.9
71.01387	24.6
72.99299	1.7
73.02976	1.4
78.95908	48.5
83.01392	2.3
85.02947	7.1
87.00891	5.8
89.02449	29.0
89.02953	2.1
92.48052	1.0
95.01410	1.5
96.96966	90.4
101.02446	17.4
105.01936	1.5
113.02460	23.9
114.05613	15.5
115.00389	3.7
115.04021	3.4
115.05962	3.5
116.07185	47.0
118.96578	1.4
119.03515	10.2
122.26566	1.0
131.03502	11.2
133.05074	2.8
135.04526	3.4
143.03532	1.3
156.99182	1.5
168.99118	4.4
179.03537	2.0
179.05722	1.8
186.99341	1.6
216.99084	3.4
229.00438	2.5
293.08789	100.0
294.09143	7.4
323.75305	1.1
331.04211	13.5
336.41205	1.1
362.43860	1.2
391.04468	7.3
391.08878	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.104
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
55.01886	0.6
57.03456	1.2
59.01387	18.4
61.80018	0.5
64.25812	0.4
69.03439	0.7
71.01390	9.9
71.41524	0.5
72.99319	0.7
73.02938	2.9
75.00883	1.3
75.97057	0.5
83.01398	1.7
85.02953	3.6
87.00881	1.9
87.04522	1.6
89.02457	3.9
89.32495	0.5
95.01393	1.4
99.00901	0.9
101.02454	5.6
108.02179	9.7
109.02964	100.0
110.03296	3.1
113.02466	3.2
115.00381	2.8
119.03478	0.9
123.00903	0.9
133.01447	5.3
137.02460	0.7
139.21053	0.5
146.02522	1.6
155.10791	1.3
157.41049	0.5
161.04623	1.6
169.12358	1.2
185.06099	38.8
186.06403	2.8
187.07700	1.2
187.13547	1.1
193.12302	0.6
201.11253	0.6
205.31886	0.5
211.13380	3.1
213.09206	0.8
229.05074	91.8
229.14438	8.2
230.05406	7.1
231.10408	1.2
259.19193	4.0
275.09192	2.4
301.20267	0.9
331.17682	0.8
345.22748	2.3
349.18643	1.4
373.19299	0.6
373.25818	1.9
391.10733	4.7
391.19662	33.9
391.27020	32.7
392.11087	0.8
392.20206	2.8
392.27444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07975	0.4
59.01388	3.0
60.07407	0.4
69.03459	0.8
70.25903	0.8
71.01376	2.2
71.05026	21.8
72.05376	0.7
78.95889	1.0
87.00870	0.5
89.02446	2.3
90.97153	0.6
93.92797	0.4
96.03490	0.3
96.96990	2.2
97.02954	5.5
101.02444	0.6
113.02464	0.8
114.05663	0.5
115.04023	100.0
115.24259	0.4
116.04350	2.8
116.07200	0.9
118.96637	1.5
119.03483	0.7
146.96126	0.6
156.98228	1.5
159.96930	0.5
168.98195	0.6
170.99779	1.5
179.05687	0.6
179.93938	0.3
184.97696	0.4
186.99271	1.7
213.01009	0.6
217.00394	0.7
227.02434	0.5
229.00381	1.3
231.01808	2.2
241.00307	0.5
259.01569	0.4
283.01385	0.4
293.08698	2.3
301.02475	1.5
314.96494	0.4
331.03491	5.4
391.05508	1.4
391.09689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03440	6.7
59.01386	74.1
60.92548	1.3
63.95680	1.3
69.03458	22.5
70.03796	1.2
70.91617	2.4
71.01386	46.4
71.05028	19.1
72.42790	1.7
73.02949	5.6
73.83242	1.4
80.34018	1.5
81.03465	2.2
83.01408	3.9
83.05026	3.9
85.02967	14.5
87.00877	17.8
87.04514	3.7
89.02452	30.3
95.01418	3.6
95.05038	35.5
95.95126	1.3
96.05374	1.6
97.02956	11.1
99.00884	2.7
101.02464	26.2
107.05062	2.6
110.58237	1.4
111.04528	9.6
113.02454	50.4
113.06095	16.0
115.04023	100.0
116.04321	3.5
119.03547	14.7
125.06129	3.2
126.06227	1.5
129.16045	1.5
131.03520	19.3
133.05083	8.3
135.04533	5.0
139.04033	33.3
140.04333	2.2
145.33510	1.5
155.31030	1.6
157.05049	12.1
196.97540	1.5
199.06168	5.5
262.96451	1.8
275.07782	22.0
276.08215	1.7
293.08829	89.6
294.09048	7.2
327.79843	1.6
391.04379	4.5
391.12506	62.1
392.12897	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	391.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	1.8
59.01382	35.4
60.01722	1.0
69.86801	2.1
69.87164	1.7
71.01389	5.7
73.02946	1.6
85.02950	2.3
89.02465	4.2
93.03476	2.4
95.01384	1.1
98.21931	1.0
101.02457	6.4
108.02178	1.8
113.02438	1.8
119.03540	1.7
121.02963	8.5
122.03757	13.5
123.04556	7.1
125.02464	1.3
133.02994	2.9
134.03761	2.5
135.04573	4.3
136.05309	13.4
137.06076	1.4
149.02469	18.5
149.06088	2.1
150.03238	100.0
151.04030	21.4
151.07649	1.4
158.53584	0.8
161.04591	1.2
164.04797	5.0
165.05580	94.9
166.05885	4.5
169.08771	1.1
176.01219	1.5
180.04254	7.5
180.25220	1.1
181.05070	13.1
190.02785	1.6
193.04965	1.0
195.06641	80.1
196.06935	5.6
213.01967	1.6
222.01682	1.2
241.01393	1.1
279.09833	1.0
283.09589	2.1
284.10580	1.4
311.09250	6.3
312.09692	1.0
331.17822	1.7
343.11880	33.8
344.12204	3.6
357.14407	1.3
376.11401	1.1
391.14005	16.6
391.19644	14.7
391.26895	3.1
392.14532	1.7
392.19968	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26507	0.6
59.01385	28.6
66.47794	0.5
69.27489	3.6
71.01387	3.5
72.70713	0.6
73.02943	1.7
85.02959	0.7
87.04529	0.7
89.02458	1.7
92.28841	0.5
93.03445	2.2
96.00938	0.9
101.02460	2.5
108.02178	1.4
109.02979	1.1
113.02438	1.3
113.03583	0.7
118.48126	0.5
119.03541	0.7
119.05072	1.4
121.02961	12.2
121.03737	0.4
121.06570	1.4
122.03765	8.2
123.04550	5.6
124.01742	0.7
130.08734	0.8
131.05107	0.6
132.02145	2.2
133.02969	5.6
134.03719	2.5
135.04547	6.6
136.01685	0.7
136.05321	23.5
137.06166	3.3
146.02531	1.2
147.04497	1.2
148.01689	0.9
149.01245	1.3
149.02458	23.6
149.06056	2.9
150.03236	76.6
151.04036	15.3
151.07643	2.7
154.99426	0.7
155.10770	1.5
159.04416	0.6
161.02444	0.6
161.04590	1.0
162.55754	0.6
163.04100	1.3
164.04805	8.2
165.05582	41.1
166.05945	2.7
179.03529	1.1
179.07294	0.6
180.04279	3.2
181.05070	8.3
182.05403	0.7
183.04749	0.5
191.05568	0.6
194.05847	1.0
195.06639	46.9
196.06969	2.6
199.09763	0.9
211.13501	0.8
229.14401	1.9
250.71956	0.7
251.07159	0.9
253.08383	0.6
269.08261	2.1
275.09143	1.1
283.09738	7.5
284.10587	3.7
299.09204	1.0
300.09985	0.7
303.16351	1.9
311.09225	7.5
312.09805	1.0
316.23697	0.7
325.10974	0.9
331.17435	0.8
343.11871	100.0
344.12207	11.4
357.14471	2.0
391.14014	14.3
391.19196	4.4
391.27283	6.9
392.13931	1.2
392.27399	0.9
414.56552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	1.9
58.49379	0.6
59.01376	4.6
60.67074	0.5
69.03461	4.9
69.94297	1.9
70.02983	12.3
71.01385	2.4
71.05025	18.2
71.72883	0.6
72.05403	0.6
85.02953	0.8
87.00915	0.6
87.05638	2.6
89.02456	1.5
95.05005	0.7
97.02962	3.8
98.00105	1.1
99.04533	4.6
101.02454	1.0
102.01470	1.0
103.02232	5.4
107.79488	0.6
113.02460	12.4
115.04013	9.6
115.04847	0.8
115.05177	1.1
116.07198	1.8
117.74517	0.6
127.99414	2.6
128.01773	1.9
129.00175	1.5
129.05608	0.7
130.03337	9.5
146.00482	4.0
146.08249	56.8
147.01245	3.0
147.06017	2.1
147.08588	1.7
172.04399	1.2
190.05423	1.0
217.11938	6.1
218.16447	0.5
244.06508	3.9
244.08623	0.6
256.07251	0.6
261.09210	1.3
266.73828	0.6
275.10834	1.4
277.12271	8.1
293.08905	1.5
313.19748	0.6
333.31937	0.6
373.14386	5.1
391.15488	100.0
392.15750	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	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01383	100.0
60.01735	1.7
67.05537	3.9
69.42139	4.3
71.01395	4.4
71.05029	1.7
85.02966	1.6
89.02456	3.9
98.21931	1.9
101.02458	2.9
101.89960	0.9
111.04536	1.8
113.02439	5.2
119.03522	1.9
132.02139	1.5
134.03711	1.2
149.02512	1.2
160.01692	5.9
161.02481	1.4
169.08708	61.7
170.09053	4.0
175.03998	12.3
179.03600	1.1
183.63600	1.0
188.91144	1.0
193.05095	3.9
211.09772	2.2
213.01956	6.7
241.01385	10.8
242.01924	1.8
343.11859	1.5
347.05591	2.2
355.10345	4.4
391.04865	2.2
391.14291	9.2
391.19366	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	391.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01384	78.9
60.01717	1.4
65.50387	1.5
66.83237	1.3
67.05538	7.7
69.46588	4.7
71.01378	5.2
76.22810	1.2
85.01862	1.2
85.02960	2.0
89.02441	5.7
101.02457	3.5
107.05034	1.6
108.02177	2.9
109.06642	2.4
111.04512	3.2
113.02484	3.6
118.90471	1.4
119.03508	3.1
125.06093	2.3
135.04547	2.4
150.03244	2.0
150.34979	1.4
163.04039	3.2
164.04834	3.3
165.05493	1.8
166.56226	1.6
169.08717	100.0
170.09050	7.1
175.04018	3.2
207.06602	4.5
208.08563	1.5
211.09743	3.5
213.01927	4.8
241.01421	9.7
276.23370	1.4
298.08475	1.6
343.11615	3.3
347.05368	1.5
353.61395	1.4
375.29758	1.5
391.04593	1.8
391.14008	7.9
391.19061	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	391.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15438	1.5
59.01384	17.4
66.56284	1.5
69.36477	9.2
75.00880	33.4
77.04868	1.7
93.03479	2.2
95.05046	10.4
98.22723	3.7
110.49189	1.8
114.93427	6.6
121.10239	27.8
149.09709	4.0
157.58478	1.9
158.99797	2.6
171.10294	48.1
174.99251	7.7
226.58073	1.8
231.21182	3.1
244.02649	2.5
265.03934	4.9
269.07071	24.1
270.00473	2.2
275.20181	86.9
276.20410	9.5
279.05457	4.6
283.08704	2.7
293.21255	56.1
294.21613	7.1
354.09830	9.4
391.18015	100.0
392.18231	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03440	1.2
59.01385	100.0
60.01706	1.2
61.78009	0.8
63.24032	0.7
69.03446	1.7
70.08128	1.9
71.01388	38.6
72.99326	1.0
73.02953	68.5
74.03268	1.0
77.36760	0.8
79.08840	1.0
83.01397	15.1
85.02953	6.8
87.00875	3.0
89.01937	1.5
89.02449	18.3
95.01389	1.8
96.04339	0.8
99.00867	1.7
101.02451	47.3
102.02853	0.7
113.02469	12.3
119.03535	4.6
125.02488	1.8
131.03516	3.4
137.88844	0.7
141.12840	2.4
143.03510	3.1
145.53783	0.8
149.04584	2.0
149.27263	0.8
156.62683	0.7
161.04582	5.4
166.74675	0.8
169.12349	23.5
170.12695	1.5
176.01247	1.2
187.13429	6.9
190.02747	1.7
191.03430	0.8
237.66806	0.8
259.18982	1.3
280.23608	0.9
331.17627	12.6
332.18033	0.8
349.18698	39.1
350.19119	3.9
365.70056	0.9
391.19757	75.5
392.20026	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76210	0.8
59.01385	100.0
60.01706	1.7
69.71806	3.1
71.01393	7.2
85.02950	1.3
86.84354	0.8
89.02454	10.4
97.38139	0.8
101.02453	5.0
113.02435	3.2
119.03502	3.5
134.03709	1.1
143.03564	0.9
150.03200	1.1
160.67157	0.8
161.04474	1.1
165.05611	1.6
166.05858	0.8
174.44627	0.8
179.05611	2.7
282.24921	1.0
295.05270	0.9
391.14188	1.5
391.19571	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82142	0.5
59.01385	100.0
60.01734	0.7
61.33762	0.5
69.62609	2.2
71.01388	4.6
71.01695	0.5
71.36396	0.7
73.02965	0.8
85.02963	1.5
89.02444	5.9
93.03471	0.5
101.02463	3.3
109.03001	1.4
113.02479	2.4
116.03232	0.5
119.03514	2.9
137.02481	1.3
143.03462	0.6
161.04616	1.1
165.95213	0.5
179.05647	1.6
217.95241	0.6
281.06622	1.0
331.17538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96638	0.4
54.40580	0.4
59.01387	100.0
59.23289	0.4
60.01733	0.9
69.58390	0.4
71.01398	6.8
72.99336	0.5
73.02962	1.0
83.01457	0.8
85.02959	2.8
87.00902	0.8
87.13569	0.4
89.02459	4.9
91.44694	0.4
93.03467	0.7
99.00922	0.5
101.02440	4.0
113.02477	2.2
119.03511	2.4
128.03574	2.5
131.03754	0.7
132.04129	0.8
135.04533	0.5
135.80435	0.4
143.03563	0.5
148.04135	0.5
149.04503	0.6
161.02423	0.4
161.04581	0.9
165.05667	0.8
179.05733	0.8
183.41917	0.4
189.04428	0.5
190.05104	7.2
191.05537	12.5
192.05867	0.7
199.09766	0.5
200.50073	0.4
211.13464	0.6
229.10895	0.5
229.14555	1.9
322.23029	0.4
331.14236	0.6
331.17725	1.0
353.11053	3.4
391.19781	11.5
392.20068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99231	0.5
55.01869	1.1
57.03445	1.6
59.01388	41.4
61.74681	0.4
64.97875	0.4
67.00333	0.4
67.40800	0.5
69.27853	2.8
70.56165	0.4
71.01390	17.3
72.99319	0.7
73.02972	3.0
73.03303	0.5
74.02449	0.5
75.27348	0.4
82.06696	0.6
83.01395	2.2
85.02962	5.0
87.00874	1.6
89.02453	10.8
95.01394	1.5
99.00891	1.2
101.02451	11.4
105.27661	0.5
111.00871	0.9
113.02469	6.6
115.00382	0.7
119.03545	2.6
122.03752	0.8
125.09814	1.1
127.11290	0.5
133.01424	1.1
136.05319	0.8
149.02443	1.2
150.03250	4.8
151.04008	1.0
155.10751	1.2
161.04587	1.3
164.07166	0.9
165.05557	5.1
166.08676	0.8
181.04970	0.6
186.01999	0.9
195.06650	4.1
199.02782	0.9
199.09839	1.3
211.13406	5.2
226.01501	0.9
229.14471	20.6
230.14859	1.8
231.10318	0.9
241.11034	0.5
246.26170	0.5
275.09286	1.6
343.11874	2.2
350.69467	0.5
357.14536	2.1
373.18689	1.6
374.17700	0.6
391.09619	3.1
391.19772	100.0
391.26938	3.2
392.20154	12.6
392.25491	0.8
392.27570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1981
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01883	1.3
57.03452	1.7
58.00593	0.4
59.01386	18.4
59.57549	0.2
60.01711	0.4
69.03442	0.9
71.01388	13.0
71.05008	0.3
71.43269	0.3
72.01716	0.3
72.99301	0.6
73.02954	3.9
74.03233	0.2
75.00879	0.3
83.01395	2.5
85.02473	0.4
85.02962	6.0
85.22620	0.2
87.00907	1.2
89.02450	3.9
95.01420	1.5
95.05048	0.3
97.02971	1.0
97.06595	0.3
99.00890	1.2
99.04507	0.7
99.05663	0.2
101.01800	0.4
101.02451	7.5
102.02741	0.2
102.05624	1.9
111.00874	0.7
112.01659	0.3
113.02463	3.6
115.00344	0.3
115.03952	0.2
117.01942	0.3
117.91830	0.2
119.03506	1.2
121.02952	0.3
124.01674	0.4
125.02445	0.4
125.09750	1.2
125.21503	0.2
125.57341	0.2
127.11299	1.6
128.03539	0.7
129.01932	0.8
131.03549	0.3
133.01447	1.2
135.04536	0.3
137.09686	0.3
141.01947	0.5
143.04616	1.0
143.10725	0.3
155.10817	3.0
155.14407	0.7
159.02988	0.5
161.04555	0.6
167.14429	0.8
171.10271	3.6
172.10706	0.2
179.03526	0.2
181.12450	0.3
183.13908	1.3
185.11847	0.3
191.05675	0.5
193.12344	0.2
195.13904	0.3
199.09859	1.0
199.13448	0.5
201.11334	0.3
201.14876	0.2
204.11514	0.3
209.11769	1.4
211.13412	9.6
212.13826	0.5
213.14980	0.8
215.12932	0.3
219.13971	0.3
227.03487	0.3
229.14461	33.8
230.14830	2.3
231.10353	0.4
235.13403	0.4
247.13396	0.3
247.15601	0.7
255.03023	1.0
256.03436	0.3
259.19165	0.8
263.12668	0.3
283.02530	1.0
284.02908	1.2
285.03790	0.9
286.04379	0.4
373.18777	1.2
374.15945	0.3
391.19781	100.0
392.20532	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	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42587	9.3
58.16935	9.5
59.01384	47.2
70.10185	21.3
94.67963	7.9
98.21965	14.4
99.92583	25.1
114.11102	10.3
119.08674	14.8
137.09715	31.2
171.10286	93.9
185.11853	24.9
203.39384	8.1
207.10069	100.0
245.19087	11.3
291.19702	21.4
309.20724	71.1
310.21246	13.1
313.17877	86.7
337.13373	19.9
385.42798	10.2
391.20242	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	391.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.9
69.03458	2.3
71.18856	1.7
77.01718	1.3
96.96013	4.0
100.22649	1.2
113.02483	1.5
114.50577	1.2
130.08798	1.7
131.03564	7.1
277.21753	100.0
278.22052	10.6
282.29617	1.4
349.91202	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.2
69.71949	19.2
98.21931	18.6
102.76262	8.7
111.50195	8.7
135.64221	9.2
152.99606	18.7
162.09949	8.7
255.23288	100.0
256.23669	16.9
263.68951	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	391.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63225	12.4
53.67385	10.7
59.01354	14.9
62.20541	11.9
77.29890	11.7
78.82147	13.1
81.26492	10.6
87.73594	11.5
111.53703	12.2
202.61810	12.2
253.55760	12.2
255.23274	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	392.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78068	0.4
57.03452	0.4
59.01380	5.7
60.27997	0.4
61.98835	100.0
69.06657	3.0
69.15424	0.4
71.01404	1.1
78.95930	0.5
81.03464	1.0
83.01394	0.5
85.02990	0.5
89.02424	0.9
95.05120	0.4
98.22716	0.9
101.02454	0.7
113.02453	0.6
123.04545	8.0
125.02494	1.3
148.81906	0.4
151.04033	0.7
161.02536	0.8
163.04030	0.8
167.03513	31.8
168.03864	1.1
171.10313	1.0
179.03543	0.5
181.05119	0.8
191.03540	9.0
192.03934	0.9
199.24142	0.4
209.04524	3.0
221.04660	0.8
231.03065	1.2
312.06763	1.1
329.08789	13.4
330.09235	0.8
392.19998	0.8
393.16135	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	392.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.0
59.74175	0.6
60.01742	0.6
60.21738	0.5
69.03452	1.1
71.01392	2.7
71.05050	0.6
73.02956	1.1
78.91913	0.6
80.91692	11.9
85.02980	0.8
87.00914	1.0
87.04568	0.6
89.02438	2.2
90.02900	0.6
91.34060	0.7
99.92563	0.8
101.02469	2.4
113.02460	1.8
115.04037	1.4
116.04375	1.0
117.05599	0.9
119.03524	1.0
121.02972	71.2
122.03304	2.6
125.87312	1.1
141.00446	0.8
148.04065	100.0
149.02489	0.9
149.04439	4.8
153.22954	0.9
165.05536	0.8
169.93333	0.6
170.02261	0.6
179.05685	0.6
206.03186	0.6
230.04391	3.7
241.05063	0.7
275.07578	0.8
293.08682	0.8
294.09238	1.3
310.09402	3.4
332.07431	0.9
392.12936	1.1
393.17896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	43.9
67.74952	28.1
69.81091	100.0
76.47565	33.9
79.79658	31.8
92.59795	27.9
98.21899	46.6
118.04235	29.9
147.75548	30.8
200.11491	30.2
259.44662	40.4
329.13910	90.4
393.15549	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07580	12.4
57.55922	13.1
59.01377	57.8
61.98830	100.0
62.47188	10.2
71.42664	11.7
71.57109	11.5
82.80421	15.0
85.03326	11.6
98.54536	12.1
117.39542	12.2
117.86878	11.7
211.06436	11.9
311.11868	14.5
410.13385	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	393.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
60.91937	0.6
69.39252	3.3
93.03515	0.8
98.21839	1.2
101.02451	1.1
108.02171	1.2
109.02965	71.7
110.03307	2.7
119.05041	1.7
121.02937	1.8
123.04528	2.3
129.03479	2.5
129.27708	0.7
130.04230	0.6
131.05028	1.1
135.04526	1.7
137.02470	1.4
139.27139	0.6
146.02644	0.7
146.03738	2.7
147.02808	1.0
147.04536	25.8
148.04843	1.5
158.03757	3.0
159.04532	100.0
160.04851	5.5
175.04115	1.5
176.05023	0.6
183.29807	0.7
243.42636	0.6
251.07140	1.0
252.07816	1.7
268.07437	1.7
269.08200	45.1
270.08551	4.8
357.06198	9.4
358.06516	1.4
358.87637	0.7
360.31873	0.7
393.03265	1.3
393.21457	1.0
400.87897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.4
56.98446	2.1
57.03451	4.7
59.01387	58.9
68.80498	2.0
70.66260	2.2
71.01386	53.3
72.01735	2.8
73.02962	21.5
74.79510	2.2
80.05099	3.4
80.21263	2.9
83.01408	8.9
85.02962	23.8
89.02474	8.9
95.01422	2.4
96.46023	2.3
97.02977	3.6
99.00908	9.2
101.02460	40.0
107.05132	2.3
113.02449	16.6
115.00364	2.7
119.03548	3.1
123.04479	3.1
125.02438	2.7
129.10365	3.1
143.03505	2.3
159.03030	4.7
161.02492	4.4
161.04575	22.4
163.04012	4.7
189.01913	5.8
213.14781	2.8
231.15955	4.5
239.08742	2.2
261.13461	100.0
262.13742	7.0
393.08575	4.4
393.13751	22.5
393.17648	9.7
393.21838	38.7
394.13345	2.8
394.22131	3.7
402.39587	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	393.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
56.08268	1.3
57.03445	3.6
58.00603	1.9
59.01385	100.0
69.03457	16.9
71.01387	45.2
71.09641	2.2
73.02953	53.7
75.89350	1.3
81.03474	1.8
83.01402	14.4
85.02965	15.4
87.00890	10.8
87.04507	8.4
89.02450	36.6
95.01414	2.9
97.02969	6.5
99.04533	18.1
101.02444	43.2
113.02454	44.2
113.06048	2.3
115.03996	4.3
116.92814	2.7
117.05599	30.2
119.03505	7.5
123.04565	3.8
125.02438	4.1
130.08755	1.8
131.03508	15.0
133.02980	1.9
133.05083	6.5
135.04491	1.8
143.03528	2.7
143.05013	1.9
149.04576	6.3
159.06566	1.9
161.04547	5.4
171.10283	2.8
175.78412	1.6
219.74405	1.5
229.11862	1.6
231.06677	9.2
241.05042	2.2
271.09604	2.7
275.07751	23.8
278.19537	1.7
293.08820	35.3
294.09079	1.8
298.48663	1.8
335.09869	56.2
336.10202	3.9
349.11356	5.0
357.40921	1.8
375.12827	8.1
393.14096	35.8
394.14127	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	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53070	1.3
50.79031	1.2
52.09032	1.2
54.22692	1.3
55.01873	2.1
57.03450	1.6
59.01387	100.0
62.10137	1.2
69.03468	20.1
69.26743	2.4
69.27148	5.4
71.01393	43.5
72.99323	2.0
73.02951	51.7
74.02476	2.4
74.03311	1.8
83.01394	15.6
85.02963	10.4
87.00890	12.4
87.04523	5.5
89.02453	29.8
95.01405	3.7
97.02953	6.1
99.00867	1.4
99.04529	12.8
99.92600	2.8
100.93407	1.9
101.02453	41.5
107.05036	1.4
111.04542	1.9
113.02464	44.4
113.06120	2.2
114.02832	1.7
115.04025	3.7
115.92105	1.3
116.92870	2.8
117.05583	22.9
119.03510	8.1
121.03042	1.3
123.04579	2.2
124.92920	1.2
125.02464	4.3
125.08934	1.2
128.10822	1.3
130.08760	5.9
131.03523	17.1
133.02969	2.9
133.05086	5.5
135.04564	2.0
143.03560	1.8
149.04541	2.6
151.03976	1.8
152.25517	1.3
159.06696	2.1
161.04582	5.4
171.10390	2.5
171.95003	1.2
179.03529	2.3
191.05638	1.7
229.11891	6.2
231.06548	6.3
271.09576	2.9
275.07770	21.1
293.08813	33.4
294.09109	2.3
321.36060	1.5
335.09872	60.9
336.10089	2.5
349.11499	4.1
349.16122	1.7
375.13019	8.2
393.05399	1.5
393.14099	35.7
393.18527	1.6
394.13943	3.0
395.57578	1.5
400.30933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1562
Annotation	Queenslandon
Peak:m/z	Relative Intensity
53.97382	0.6
57.03450	1.0
58.52624	0.8
59.01376	3.8
68.99839	1.1
69.38001	3.4
71.01351	0.8
81.03460	1.0
93.03472	0.7
101.02447	0.9
104.02692	7.1
105.03528	1.1
108.02222	1.5
109.02962	61.1
110.03316	2.2
118.04282	1.0
119.05038	1.8
120.02249	0.7
121.02976	1.9
123.00845	0.8
123.04543	2.4
129.03513	1.8
131.05031	1.1
133.03006	2.0
134.03746	1.1
135.04532	2.2
137.02467	1.1
145.02953	1.3
146.03735	1.6
147.04541	21.2
148.01685	9.2
149.02452	0.6
150.03241	1.4
157.96016	0.8
158.03725	1.9
159.04530	85.4
160.04855	4.5
161.02470	2.0
161.06050	0.7
162.03276	1.2
163.03976	1.9
165.01897	0.7
174.28732	0.7
175.04033	0.9
176.01158	61.9
177.01886	8.5
178.02721	3.4
187.07683	1.4
189.01976	2.5
189.05626	1.3
190.02740	5.6
191.03510	28.7
192.03799	1.6
203.03583	1.1
205.01431	17.3
206.02199	15.6
217.01338	1.6
219.02975	1.8
221.04593	2.9
222.01714	1.3
225.05591	0.8
229.08640	0.8
231.03120	1.6
231.06624	28.0
232.07039	2.0
252.07965	1.9
268.07556	0.9
269.08206	34.5
270.08585	3.2
273.15106	0.8
289.14322	0.8
349.16757	2.3
352.27606	0.8
357.06174	6.0
358.06570	1.0
363.14517	1.2
375.14334	1.5
378.13254	9.0
379.13327	1.4
393.15591	100.0
394.15854	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	393.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.3
70.10482	1.4
70.10818	2.1
72.99298	2.1
79.95749	3.0
91.31413	1.0
96.96017	100.0
103.12400	1.0
112.96215	1.1
118.87499	1.0
132.05823	44.3
133.06137	1.8
135.04529	1.1
150.03244	1.7
152.44257	1.0
161.02466	1.3
164.04770	9.4
165.01939	1.9
176.01195	1.6
177.01857	1.5
178.02725	1.4
179.03534	1.3
185.80424	1.4
187.11301	52.9
188.11630	4.2
189.01965	1.5
189.09378	1.2
190.02715	1.5
193.05093	1.4
205.04851	1.7
231.10274	91.4
232.10634	5.3
261.19714	2.2
275.12762	1.5
304.13104	2.0
305.99045	1.2
319.15506	3.9
331.15421	1.7
349.16528	3.2
393.15387	4.4
393.19604	35.4
394.19839	3.1
408.28143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48866	0.5
56.79870	0.5
57.03453	4.9
59.01383	1.8
65.00319	0.8
65.03976	0.7
67.01895	3.3
69.65389	2.2
71.01403	0.6
73.02966	0.5
79.05547	4.9
80.02702	0.6
81.03455	1.7
83.05016	1.0
91.05519	0.5
93.03468	5.9
94.34765	0.5
95.01392	5.1
95.05046	1.0
99.04523	1.1
106.04249	3.3
108.02171	5.9
109.02995	0.8
110.00085	0.7
116.17396	0.7
119.08677	0.8
120.02206	1.6
121.02959	11.4
122.03741	0.6
123.00903	7.2
123.04547	1.5
125.02453	0.7
125.06090	2.1
130.04205	0.8
134.03758	7.7
136.01678	4.8
136.05290	0.6
137.02463	2.1
145.06616	0.8
145.10242	1.2
146.07399	0.7
147.04533	0.8
147.08141	0.8
147.11732	1.0
150.03241	2.1
151.04053	0.7
153.05626	0.7
157.06580	0.6
158.03722	1.2
159.04573	1.0
161.09703	1.1
163.00351	1.8
163.03996	0.7
163.11319	0.7
164.01147	2.8
165.01949	0.8
173.06076	4.8
174.06906	5.9
175.04025	1.3
176.04755	1.6
185.09772	0.7
187.11311	1.8
189.05688	1.0
190.06358	3.2
197.09753	1.9
200.08278	0.6
211.29271	0.6
213.09222	7.8
215.10735	3.5
227.14398	0.6
229.15976	1.5
237.12943	0.6
237.17409	0.6
245.15503	1.1
255.13905	2.2
273.14978	25.9
274.15335	2.2
275.12912	5.7
276.13510	0.6
289.14407	7.6
290.14734	1.7
299.13022	0.7
304.13345	0.5
305.14209	0.7
305.17517	1.2
315.12515	0.7
317.13934	20.6
318.14151	2.6
321.17087	11.2
322.17343	1.4
331.15656	0.8
343.72528	0.6
349.16595	7.3
375.14371	4.7
393.15573	100.0
394.15869	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	393.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64695	1.1
59.01398	2.1
62.15363	1.3
67.01881	3.2
69.66877	2.2
69.67268	2.3
75.20157	1.1
79.05560	1.5
81.03434	2.0
83.05042	1.4
93.03464	5.4
95.01397	7.0
99.04532	2.6
106.04252	1.6
107.05016	1.9
108.02165	5.3
121.02964	15.3
123.00905	4.7
123.04570	1.5
123.08141	1.3
131.82904	1.3
134.03754	4.5
135.04507	2.9
136.01672	3.5
147.08186	1.2
148.05330	2.3
152.04868	2.6
153.05502	1.8
163.00362	1.5
164.01118	2.5
167.07188	8.0
175.11284	2.8
177.09294	1.4
185.09741	3.0
201.09334	1.5
202.10068	1.8
203.10689	7.1
245.15421	1.2
273.15018	14.4
274.15158	1.3
275.12936	7.9
289.14478	10.3
317.13977	22.8
318.14383	2.3
321.17072	11.1
331.15506	1.8
349.16467	6.8
375.14413	2.3
393.15585	100.0
394.15906	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	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04906	1.3
53.57450	1.4
59.01387	100.0
71.01389	10.1
71.06638	1.8
73.02936	3.0
75.00823	2.1
81.78288	1.3
85.02950	4.2
89.02450	8.3
97.02935	1.8
99.00845	2.0
101.02444	8.7
102.05620	2.7
113.02455	8.8
118.04284	2.2
119.03532	8.0
130.10106	1.3
134.85146	1.3
136.94452	1.3
141.09239	28.7
142.59602	1.5
153.09094	1.5
155.10762	4.2
157.24471	1.7
161.04555	3.1
164.08226	1.4
171.10287	59.8
172.10617	1.6
176.01154	4.0
177.01808	1.5
183.10304	3.7
189.01947	2.2
189.05626	1.5
190.02692	8.0
191.03452	1.7
195.10309	2.2
213.11385	2.8
218.02238	2.1
219.02954	2.3
231.02971	1.9
233.04552	3.7
315.12344	2.9
333.19131	1.9
375.14749	1.7
393.11075	1.9
393.15573	26.8
394.15646	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	393.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	83.6
60.01709	1.4
70.70008	1.8
71.01389	9.2
73.02966	5.4
76.09207	1.1
83.01414	1.4
85.02965	2.9
87.04504	1.6
89.02451	11.5
96.96033	6.4
101.02461	6.6
113.02448	6.1
114.38284	1.0
119.03498	5.7
128.40723	1.0
131.03542	2.1
134.03790	1.3
135.98332	1.6
137.45154	1.1
139.04103	1.6
141.09209	1.3
149.04585	2.3
151.00514	1.1
153.09270	1.8
161.02486	2.1
161.04605	2.8
171.10286	100.0
172.10640	4.5
185.11916	1.6
213.11360	1.6
230.05450	1.2
231.03052	3.3
231.05669	1.4
241.00230	4.5
308.07510	1.1
393.04929	2.2
393.11404	1.5
393.15863	4.3
394.06097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.8
57.03447	6.9
58.00604	1.0
59.01387	100.0
60.01708	1.5
69.03460	1.7
69.46209	3.3
69.70531	0.9
71.01392	77.9
72.01730	1.2
72.99326	2.8
73.02957	28.5
75.00874	1.7
81.03473	1.1
83.01394	16.7
83.05038	0.7
85.02959	33.2
87.00884	3.7
89.02454	38.5
92.13316	0.7
95.01394	4.3
97.02958	4.9
99.00894	10.5
99.08160	1.7
101.02455	77.5
102.02789	1.4
102.07688	0.8
103.04041	0.9
111.00899	6.3
113.02464	26.7
114.02816	1.1
115.04003	1.5
119.03528	1.9
123.04586	0.9
125.02448	4.2
125.09727	1.7
129.01978	2.4
130.08934	0.8
131.03522	29.2
132.03918	0.9
135.99594	0.8
139.04007	0.9
143.03557	3.7
149.04576	10.3
159.03020	5.4
159.04185	1.1
161.04570	19.7
161.05872	1.3
162.04901	1.0
163.06166	1.4
171.92287	0.7
183.02997	0.8
191.05672	2.0
201.46071	0.7
205.07176	1.3
215.05594	0.8
233.06621	3.4
235.55183	0.7
243.12381	0.8
247.11909	1.5
261.13449	82.0
261.62808	0.8
262.13797	5.3
269.17468	0.8
293.09024	1.1
393.17661	85.1
394.17984	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	393.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29832	0.4
53.13504	0.3
53.64491	0.4
55.01886	1.3
56.73458	0.3
57.03445	2.1
58.00606	1.1
59.01387	100.0
60.01719	1.0
62.88832	0.4
66.90970	0.3
69.03443	0.8
71.01391	64.0
72.01732	1.0
72.99316	1.2
73.02956	14.0
74.03327	0.4
76.71117	0.4
80.61366	0.4
83.01408	2.7
85.02961	10.0
86.00102	1.1
87.00887	7.7
89.02457	91.6
90.02798	1.7
95.01405	1.2
96.91109	0.3
97.02960	1.3
97.70260	0.5
98.53327	0.4
99.00862	0.8
101.02457	38.1
102.02791	0.8
107.14491	0.4
111.00854	1.2
113.01720	0.8
113.02467	12.1
115.03999	0.6
119.03517	8.5
125.02496	1.9
131.03525	40.5
132.03799	1.0
139.04010	0.6
143.03471	1.4
149.04578	50.9
150.04871	1.3
161.04538	1.3
171.10272	1.6
179.05701	2.8
189.02116	0.4
190.05150	0.6
191.05634	19.4
192.05923	0.9
231.16008	0.8
233.06618	0.6
251.07602	0.7
261.13409	0.8
331.02429	0.4
369.31598	0.4
393.17361	4.6
393.21320	0.9
394.17896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.8
60.38754	0.9
61.98826	1.1
69.82076	0.9
70.00452	1.9
70.00813	2.0
75.00880	14.1
79.70792	0.8
80.30080	0.9
96.96026	1.9
97.93129	1.1
113.09740	2.1
113.92684	1.3
114.93424	2.7
116.92870	1.4
117.00124	0.8
121.07950	0.9
146.17465	1.1
167.42557	1.0
183.01208	1.2
183.13907	2.7
195.13914	16.5
241.45764	1.0
277.21765	17.7
278.21988	1.8
295.22800	100.0
296.23071	10.1
309.17487	1.9
311.16873	3.2
349.27249	1.0
353.35031	0.9
353.94321	1.0
393.15469	2.4
393.20480	1.0
397.36484	0.9
414.14676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12419	2.8
59.01382	14.6
69.03464	8.2
75.00872	27.5
89.54700	3.1
92.23395	3.0
95.05061	4.3
98.22701	5.2
121.33755	2.5
132.98152	3.4
171.10272	17.4
174.99268	5.0
183.10300	12.3
239.02489	10.1
269.07230	3.3
277.21741	22.3
295.22815	100.0
296.23111	12.8
306.15897	3.2
314.06909	12.9
328.19650	2.8
341.85080	3.0
347.15543	4.7
393.19598	75.8
394.20032	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	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09139	0.6
57.01541	0.6
57.03446	0.8
59.01385	100.0
59.22804	0.6
60.01721	0.9
60.68652	0.6
66.91025	0.6
71.01391	5.8
73.02968	2.5
73.80750	0.7
83.01407	1.7
85.02967	2.5
89.02470	1.6
95.01414	0.7
99.00893	0.8
99.04533	0.8
101.02448	5.1
101.12398	0.7
113.02470	1.7
118.04288	2.1
118.98108	2.0
119.03466	0.7
136.01755	0.7
137.94531	0.6
141.57512	0.6
147.04546	0.7
150.03229	0.8
155.10854	0.6
159.03033	1.0
161.04555	3.7
162.03307	2.7
165.05663	1.0
176.01210	1.3
185.11964	1.6
189.02020	1.4
190.02727	13.1
191.03441	1.4
195.06712	2.3
205.05153	2.4
219.03098	2.7
231.03003	0.9
233.04601	1.1
235.17770	0.8
303.16260	0.9
315.12494	1.8
333.19199	9.4
334.19693	1.4
393.11008	1.3
393.15704	20.4
393.21008	1.9
394.16211	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	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72869	0.5
55.01879	2.0
57.03439	1.6
59.01385	36.4
60.01708	0.8
61.92065	0.5
69.74603	1.3
69.74959	1.0
71.01389	12.9
72.99352	0.7
73.02953	4.2
73.67789	0.5
83.01397	2.4
85.02951	6.7
85.06601	1.7
87.00882	1.9
89.02443	4.5
92.17861	0.5
95.01389	0.8
98.22540	0.7
99.00882	1.1
99.08205	0.8
101.02460	8.3
113.02469	3.8
119.03529	1.5
123.08181	1.1
125.02413	0.6
133.02951	0.9
161.04605	1.3
167.07057	0.7
185.15472	0.6
213.15010	3.4
231.16032	20.1
232.16389	0.9
333.19318	1.1
375.20172	2.6
393.21341	100.0
394.21649	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	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
63.99960	1.1
69.84643	4.5
73.86713	1.1
74.52903	1.1
75.03021	1.2
75.49218	1.3
79.60081	1.1
103.81990	1.2
112.83022	1.2
116.92881	1.1
145.22076	1.1
189.46404	1.4
215.05887	2.7
221.23979	1.2
230.08128	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	393.2134
Annotation	JBIR-56
Peak:m/z	Relative Intensity
50.52946	0.5
54.37005	0.6
55.01889	1.3
57.03455	1.9
57.16695	0.6
59.01386	50.7
59.23611	0.5
60.01735	0.9
62.40818	0.6
69.03465	0.7
69.70113	2.0
71.01389	22.6
72.01722	0.6
72.99326	1.4
73.02957	4.5
83.01393	3.1
85.02960	8.2
85.06623	1.8
87.00890	1.3
89.02455	17.0
91.42044	0.6
95.01402	2.8
98.22551	1.3
99.00929	1.7
99.08156	1.4
101.02455	13.6
113.02461	8.8
116.07166	3.9
119.03504	5.0
123.08206	0.9
127.56669	0.6
128.82878	0.6
131.03773	7.6
133.02997	1.9
135.04645	0.7
143.03470	0.7
146.02495	1.7
148.04051	6.4
149.04617	1.3
158.02448	0.7
160.04074	0.7
161.04619	0.8
167.07124	1.0
171.10355	0.7
174.02007	1.8
175.02762	1.6
189.04335	6.3
190.05121	30.5
191.05707	0.8
213.09276	0.8
213.14980	12.4
231.12477	0.9
231.16040	19.6
261.13513	2.9
264.48059	0.6
310.11017	0.7
351.20374	1.4
375.20334	1.9
393.21371	100.0
394.11423	2.3
394.17868	1.9
394.22095	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	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34364	0.3
55.01878	1.1
57.03450	1.0
59.01388	24.4
60.01717	0.5
71.01393	12.7
72.99307	0.8
73.02952	3.4
75.00897	0.9
83.01392	2.7
85.02962	5.8
87.00890	2.1
89.02454	6.7
95.01417	1.4
97.02953	0.6
99.00887	1.0
101.02454	8.2
109.03008	0.5
111.00924	0.7
113.02462	4.2
119.03501	2.9
121.06615	0.6
124.01704	0.5
125.02449	0.5
127.11281	0.5
131.03792	2.3
133.02971	0.6
143.03552	0.6
145.08798	0.3
148.04045	1.9
150.03261	0.5
155.87529	0.3
161.02449	0.4
161.04579	0.3
171.10306	2.1
174.01974	0.7
175.02769	0.4
189.04330	2.2
190.05136	11.4
191.05560	0.4
211.11307	0.5
213.09195	0.4
213.14978	2.8
229.14413	1.0
231.16039	28.4
232.16382	1.2
245.12021	0.4
255.10359	0.5
273.11292	0.7
304.61151	0.3
333.19370	0.5
345.12296	0.3
375.20215	2.1
393.21356	100.0
394.11270	0.7
394.21674	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	393.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95627	2.6
54.40278	3.0
55.95250	3.2
56.63506	3.1
57.82959	3.2
59.01385	20.2
61.98835	4.4
70.66153	5.2
71.11370	3.3
78.05779	2.7
78.95928	6.0
89.95113	2.9
93.20930	3.0
99.01467	2.9
111.81528	3.3
113.93764	3.0
125.70546	3.0
128.63365	3.1
139.11293	16.8
139.43655	3.1
162.80386	3.0
171.10266	23.2
193.08478	14.3
193.12335	8.7
211.13348	5.6
215.10577	11.1
233.11646	20.8
293.21310	12.5
311.22302	100.0
312.22598	7.6
333.20276	8.6
393.22470	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	393.24
Annotation	3-(hexadecyloxy)-2-oxopropyl dihydrogen phosphate
Peak:m/z	Relative Intensity
53.04765	3.2
56.31877	3.3
58.02938	4.6
59.01377	4.9
69.10542	7.5
69.10947	18.7
74.23948	3.3
75.93733	2.9
84.04546	3.6
109.04071	9.5
127.05157	59.3
128.03531	10.5
136.94569	3.4
145.06194	47.7
160.35643	3.3
261.93481	3.6
375.22934	6.7
393.10623	5.9
393.23993	100.0
394.24146	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	393.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
73.11133	4.0
80.93747	4.2
88.65509	4.7
99.92574	5.3
110.90070	3.8
111.84600	3.8
115.92160	5.3
116.40313	4.1
131.03455	7.5
279.20267	5.8
279.23315	100.0
280.23633	12.6
307.44348	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	393.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00550	0.8
59.01390	5.0
71.05016	1.3
72.12802	0.9
73.52139	1.0
85.02957	1.5
94.47823	1.0
115.04027	14.1
133.05075	2.3
206.39090	1.1
226.91435	1.0
277.21753	100.0
278.22101	10.7
311.16812	1.5
389.66431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98587	100.0
78.75520	47.3
92.70275	54.2
98.21940	78.8
98.92863	48.4
115.92106	49.8
116.92878	77.0
127.33132	49.3
155.63539	52.8
186.22133	49.5
239.04668	52.4
417.05527	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	38.3
69.05996	47.8
71.01380	14.8
75.09517	7.0
85.06590	100.0
101.02428	9.7
106.06044	6.5
113.02444	13.1
113.06070	25.1
115.04007	22.6
129.05602	7.7
157.05013	7.6
170.16994	6.2
189.07724	46.5
217.88385	6.5
224.26082	6.5
371.38293	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	394.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
57.14488	0.7
59.01386	38.5
59.65023	0.6
60.01704	1.0
61.58080	0.7
61.98848	1.3
69.03458	1.3
71.01390	42.8
71.50690	0.5
72.00916	0.6
72.01758	0.8
72.99326	0.9
73.02956	5.2
83.01401	2.2
83.05051	1.2
85.02963	4.9
85.06599	13.8
86.08401	0.6
87.00893	1.8
87.04543	0.8
88.04046	4.8
88.75388	0.5
89.02453	14.0
92.53616	0.5
95.01408	1.4
98.22646	1.1
99.00888	1.0
101.02455	14.1
102.02731	0.8
111.04540	1.2
113.02467	7.5
113.06116	2.3
114.02774	0.9
117.05590	2.5
117.06369	0.7
118.05946	0.6
119.03513	4.8
125.02485	0.8
130.08765	1.2
131.03462	1.4
137.02440	0.8
140.10814	0.8
142.08740	3.2
143.03510	0.8
143.07108	0.7
160.09813	46.8
161.04639	2.2
161.10129	1.7
165.05614	0.8
187.09846	0.7
195.39909	0.6
214.10905	1.7
240.74153	0.6
249.68494	0.7
266.86258	0.6
275.07990	1.4
276.08072	1.1
293.08841	1.8
294.09314	1.0
317.08710	1.7
322.15143	5.9
335.10001	0.7
335.65121	0.6
336.10226	2.1
350.17215	0.9
376.16187	1.9
394.17239	100.0
395.17642	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	394.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	15.5
72.09417	10.8
90.31278	11.1
102.05621	54.3
104.21938	9.7
128.03555	72.8
146.04596	11.1
167.10704	14.6
210.25621	11.8
265.18060	46.6
268.13782	10.9
338.78564	10.3
376.21594	16.7
394.22324	100.0
395.22095	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	394.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	74.2
74.32510	49.7
82.16021	51.6
93.05076	52.7
96.09685	52.1
103.01492	51.5
122.29118	49.9
131.77043	55.4
152.99634	100.0
162.07719	56.4
179.00119	60.2
309.65338	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33750	33.8
60.10957	43.4
60.59544	30.5
65.94728	42.8
66.16244	36.4
69.43830	100.0
69.44221	80.2
70.11373	38.3
74.76451	39.7
98.22607	72.0
99.44509	35.4
99.73161	46.5
122.83015	39.1
128.00066	43.6
132.81427	38.6
166.91125	40.5
173.72211	49.3
181.45650	45.1
192.82901	44.8
293.26715	43.7
314.61621	37.3
395.25876	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17045	9.7
58.03336	8.4
61.98837	24.2
64.33104	7.6
70.47689	19.6
79.95747	8.1
85.65408	7.9
96.96019	65.7
106.12479	9.5
116.92902	12.6
209.34164	8.0
243.89647	8.4
266.64362	8.5
272.03949	8.5
309.17468	100.0
354.01920	8.1
407.22577	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17402	0.7
53.39720	0.8
59.01385	36.2
60.01731	0.8
60.51581	0.7
69.74588	3.0
71.01392	16.2
72.99325	1.1
73.02944	1.2
83.01395	1.7
85.02946	4.8
89.02454	10.3
92.02686	5.7
93.03468	42.5
93.85845	0.8
94.03827	0.8
95.01411	2.1
96.99391	1.0
101.02460	7.1
107.05056	1.4
108.02220	1.0
109.70731	0.8
110.30785	0.9
113.02457	5.5
115.51743	0.7
119.03513	2.4
119.05062	0.7
121.02981	1.4
122.03790	0.8
125.02462	0.9
131.03664	0.8
133.19937	0.7
135.04550	3.1
136.01672	16.0
137.02458	100.0
138.02795	3.2
147.04480	0.8
147.53432	0.7
151.04034	11.4
163.04025	0.7
179.03517	81.2
180.03880	3.4
209.04576	19.9
210.04961	1.0
233.04576	1.4
239.05627	67.9
240.05957	4.7
259.07501	0.8
277.08572	1.3
281.06592	1.5
299.07977	3.5
315.05582	1.0
395.09576	5.9
396.09955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.3
57.03442	7.8
59.01384	100.0
59.90453	1.5
67.01875	2.1
69.03458	8.4
71.01389	75.6
72.99318	3.3
73.02953	9.1
74.37251	1.5
75.00865	5.7
81.03462	2.6
83.01384	7.6
83.05037	44.0
85.02963	18.7
87.00870	6.8
87.04507	4.7
89.02457	59.7
93.03471	11.5
95.01382	3.5
95.05025	3.3
97.02954	4.0
98.21903	5.0
99.00883	2.5
99.04517	4.9
101.02454	47.5
105.01939	11.3
107.05031	3.1
109.02955	9.0
111.00848	5.5
111.04528	38.5
112.01646	4.4
113.02465	43.6
113.06075	2.9
119.03511	24.0
123.04556	9.7
125.02448	5.5
127.04024	7.9
129.01913	2.3
131.03520	34.2
133.05069	2.8
135.04550	3.4
136.12585	1.5
136.32387	1.9
137.02460	24.6
141.05580	2.6
143.03535	2.2
153.05594	3.6
155.03551	15.1
159.02966	2.0
161.04544	13.3
167.03473	2.8
168.84529	1.7
173.04533	11.9
179.03531	3.0
179.05574	3.9
240.94266	1.9
275.07758	54.0
276.08005	5.3
293.08826	50.6
294.09119	3.9
317.05048	3.2
317.08786	65.1
318.09091	5.1
333.11761	2.0
377.10999	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08503	19.1
59.01374	55.3
69.22439	100.0
71.01340	23.6
79.99258	21.3
87.03947	20.1
98.55749	18.8
113.02439	24.8
113.53253	19.2
114.50356	21.4
169.82085	20.8
185.32857	19.0
221.12747	20.5
329.10208	24.6
415.87753	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	395.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60875	2.0
52.80954	2.0
58.89002	2.1
61.98838	16.8
63.02291	2.0
69.48550	10.1
80.91684	2.4
99.92602	5.6
101.18786	2.1
113.62571	2.3
172.49619	1.9
189.01900	2.5
190.02718	2.2
199.07643	16.5
203.03511	3.3
225.05510	2.9
227.07199	4.2
229.05095	8.0
239.05722	6.4
243.06621	19.6
244.07323	6.8
254.04401	2.9
280.99164	4.8
281.06693	7.0
281.99979	4.9
283.04672	8.1
284.05081	2.3
313.14474	100.0
314.15012	13.8
325.05627	13.3
325.98856	10.2
326.05658	3.5
326.99713	5.8
353.12543	3.7
370.27042	2.5
395.07993	2.7
395.13474	21.2
396.06708	18.2
396.13885	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	395.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98281	5.4
59.01381	56.4
62.67454	5.2
70.66088	10.5
71.01398	27.1
85.02964	11.1
89.02466	12.0
92.02682	10.7
93.03458	46.3
101.02441	9.2
119.03500	7.6
121.02753	5.0
136.01666	19.1
137.02454	100.0
138.03210	9.7
148.01685	11.6
150.03185	5.6
151.04013	15.0
160.83253	4.8
166.02676	7.9
179.03488	94.8
209.04640	23.7
239.05637	89.2
240.05820	7.3
323.15182	7.0
351.14847	6.5
395.09604	8.9
395.14368	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	395.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.9
61.56969	0.6
61.98808	0.6
69.11934	3.7
71.01377	1.6
71.05023	23.7
89.02458	1.0
97.02957	5.4
97.08680	0.5
98.22642	1.1
99.04533	0.6
101.02441	1.0
113.02461	0.8
115.04021	100.0
116.04346	3.1
117.05589	10.7
118.98098	0.8
119.03571	0.6
139.04004	0.7
196.99956	0.6
293.08972	0.7
297.39136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.7
57.03455	5.5
58.00594	1.7
59.01385	93.6
59.14413	0.3
60.01719	1.2
61.35779	0.4
68.99814	0.8
69.03461	3.7
69.49373	1.6
71.01388	100.0
72.01727	1.6
72.99306	3.6
73.02954	26.6
75.00903	1.2
81.03459	2.3
83.01391	12.7
84.02189	0.6
85.02959	33.2
85.06612	0.5
86.00098	8.1
86.03312	1.1
87.00883	19.6
87.04521	3.3
89.02453	73.2
90.02802	1.1
95.01393	4.1
97.02971	6.9
98.21903	0.4
99.00883	8.0
99.04510	0.9
101.02454	56.8
101.06075	2.8
102.02783	1.3
109.02991	0.9
111.00897	14.7
111.04541	0.6
112.01225	0.5
113.02464	27.3
114.02809	0.8
115.04011	3.8
119.03529	4.1
121.02960	0.5
123.04499	0.4
125.02464	10.6
127.04022	0.9
128.01215	0.5
128.49641	0.4
129.01962	2.2
131.03517	30.0
132.03831	0.8
137.02415	0.7
138.51393	0.5
139.04037	0.8
141.01958	2.2
143.03494	6.2
146.88289	0.4
148.04135	0.5
149.04573	26.3
155.07127	0.4
159.03009	4.6
161.04575	26.1
162.04922	0.9
162.66628	0.4
173.04567	1.0
173.08199	26.3
174.08553	1.1
179.03473	0.5
187.06088	0.5
191.05618	6.1
192.05911	0.5
203.05518	0.6
215.05638	1.6
233.06656	11.5
233.08875	0.7
245.10405	1.8
263.11374	25.4
264.11740	1.5
279.06857	0.5
293.08789	3.9
395.15588	34.4
396.15887	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	395.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47432	0.9
57.03444	1.8
58.00621	1.3
59.01384	78.5
60.01722	1.3
69.03455	3.7
69.72601	2.6
69.72966	2.4
71.01385	65.9
71.04980	1.1
73.02956	4.9
81.03460	3.1
83.01405	1.9
85.02954	8.4
87.00921	2.4
89.02451	83.5
90.02802	1.4
97.02962	4.3
99.28901	1.1
101.02448	13.9
101.06088	100.0
102.06413	2.7
111.00880	2.7
113.02456	10.7
119.03491	1.8
125.02451	17.2
131.03516	18.7
146.22447	1.1
149.04564	25.9
161.04582	1.7
191.05606	6.8
230.40930	1.1
233.06598	2.8
293.08801	20.6
293.11859	2.0
294.09143	1.4
395.22852	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	395.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26269	2.0
57.03444	4.5
59.01385	100.0
69.55173	4.8
69.55541	8.0
70.47798	2.1
71.01389	51.9
72.99307	4.2
73.02957	21.5
75.00874	6.9
83.01398	3.7
83.99021	2.2
85.02965	7.1
87.00895	4.8
89.02457	59.9
93.03439	3.5
95.01403	3.8
96.00905	3.8
97.02952	2.9
99.04526	3.2
101.02445	41.8
101.06099	24.3
107.02296	2.2
107.05051	2.8
113.02473	9.7
115.07639	3.2
119.03534	5.8
125.02452	9.4
127.07683	3.1
131.03520	21.2
134.03670	3.3
136.48900	3.0
137.02454	2.8
143.07169	5.0
149.04552	24.9
155.07170	9.7
161.04576	5.0
173.08220	9.0
176.04077	3.6
176.48488	2.2
191.03496	3.1
191.05667	9.3
221.09959	2.3
228.27507	2.4
263.11392	3.3
278.61310	2.4
307.25656	2.8
335.10193	4.6
335.17014	5.0
395.09839	7.0
395.18604	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	395.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	27.4
69.03456	1.1
69.12414	2.7
69.12841	3.2
81.03467	13.6
90.98837	0.8
94.09377	1.1
95.01393	1.8
95.05031	1.3
97.02960	8.9
103.00379	11.3
107.61502	0.9
108.02136	1.2
108.81967	0.8
109.02960	2.2
110.00056	1.1
111.44181	0.9
113.14516	1.2
121.02896	2.2
122.03763	2.8
123.00894	1.3
123.04542	17.5
128.83261	1.0
135.04547	2.6
136.05304	3.1
137.02466	5.4
138.03230	1.0
149.02440	1.2
150.03268	8.8
151.04022	42.7
152.04388	1.9
162.06908	1.7
163.04027	15.6
163.07634	3.6
164.04733	1.7
165.01949	4.7
174.80452	0.9
176.01146	1.8
176.04781	3.3
176.08369	1.6
177.02037	2.0
177.05534	1.4
179.03508	2.6
182.02271	1.7
190.06395	9.2
191.03644	5.8
191.05403	2.0
191.07173	28.4
192.07495	2.2
203.07129	0.9
217.12279	1.3
219.06638	4.6
231.10474	1.3
245.08287	1.6
257.15558	3.1
263.12888	3.4
275.16547	18.5
276.13589	3.3
276.16635	1.1
289.14481	22.1
289.18069	5.3
290.15262	34.6
290.18246	1.2
291.15686	4.0
304.13141	2.2
305.14047	1.5
317.40744	1.0
318.14725	100.0
319.15231	15.2
320.15695	1.2
321.02689	1.3
333.17108	50.9
334.17389	7.0
340.04660	1.8
351.18292	2.2
363.14343	1.4
380.04144	25.4
381.04892	2.3
395.17001	11.9
396.07254	25.9
396.12469	1.2
396.17328	1.3
396.75586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1713
Annotation	Glaucarubol
Peak:m/z	Relative Intensity
59.71892	1.2
65.03967	1.2
65.17847	0.9
65.26740	1.0
67.01894	2.2
67.07414	1.1
72.42815	1.1
78.26669	1.1
81.03472	2.2
85.06633	1.6
91.05605	1.4
93.03471	5.8
95.01402	4.6
95.05010	1.3
99.04498	1.6
101.10402	1.2
106.04272	1.2
108.02165	6.0
109.06615	1.4
115.71690	1.0
118.75922	1.1
121.02971	14.9
123.00869	4.6
125.06092	2.4
134.03761	3.2
135.04523	3.1
136.01657	3.5
137.02452	1.7
148.05333	1.3
149.02376	1.2
152.04802	3.5
153.05544	1.9
163.00388	1.8
164.01193	2.8
167.07150	10.3
175.11304	3.4
203.10791	6.5
245.49774	1.2
258.77441	1.3
275.16553	19.1
275.19516	1.6
277.14447	7.8
291.15939	8.3
301.14615	1.3
319.15524	21.6
320.15726	1.3
323.18640	12.2
333.16794	1.4
351.08783	1.4
351.18219	5.1
377.16187	2.3
395.17105	100.0
396.17563	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	395.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58471	0.1
55.32831	0.1
65.85374	0.1
70.02711	0.3
70.03046	0.4
79.95744	1.7
81.03464	0.7
81.72047	0.1
90.99068	0.1
96.96020	100.0
97.02950	0.4
97.95915	0.3
110.75563	0.2
123.04549	0.2
147.69269	0.2
161.21977	0.1
182.95383	0.1
191.10941	0.2
257.15607	0.3
263.12909	0.3
275.16498	0.8
289.18167	0.3
350.85788	0.2
351.18256	0.2
357.88425	0.1
385.56833	0.1
395.21103	39.7
396.21448	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	395.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16896	0.6
59.01384	5.9
66.91946	0.6
71.41496	0.7
72.34547	0.7
75.00877	18.7
93.52915	0.6
97.93140	1.5
112.92711	0.6
113.92610	1.2
114.93404	2.9
114.94138	0.9
132.98192	1.9
134.77318	0.7
163.11290	7.9
174.99266	11.1
183.13905	41.3
184.14211	2.2
185.38127	0.6
215.02342	0.8
220.13368	5.9
243.05386	0.8
277.07291	0.7
279.23312	7.4
297.10440	3.1
297.24362	100.0
298.24710	11.6
299.11789	10.9
343.10831	0.8
355.30817	0.7
395.16812	1.0
395.20837	7.0
395.28467	0.9
396.25446	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	395.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84420	32.9
57.92241	32.6
59.01368	65.0
61.98815	100.0
64.43846	30.0
70.75735	43.6
113.17076	32.5
121.33100	31.4
149.08678	33.5
170.88380	31.7
234.61496	34.1
254.78008	32.9
275.72940	33.5
277.48810	28.9
279.21582	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01337	0.9
69.09666	3.0
97.02946	0.5
104.02693	0.5
109.02924	0.5
109.05315	0.5
123.04473	0.8
133.02945	0.7
139.43486	0.4
151.03961	1.8
163.03946	0.6
176.01122	1.1
177.01932	2.4
191.07155	0.6
192.07434	0.5
208.04051	0.7
222.05519	0.6
236.03479	0.6
248.03629	0.4
249.04240	1.3
250.05023	1.2
252.03020	4.6
259.04822	0.6
265.03726	1.6
266.04532	1.0
268.02475	0.6
275.16547	0.9
276.16800	1.4
280.06281	0.7
281.03250	1.8
290.14987	0.9
291.15637	1.1
293.03357	0.7
294.04065	1.2
295.04788	0.8
304.02554	0.7
305.03082	0.7
305.13651	0.5
307.04901	0.5
308.05603	4.9
311.04333	4.7
312.05063	1.4
318.14673	1.9
319.15118	2.4
320.02026	0.6
321.02811	3.8
322.03113	1.0
324.05139	3.5
333.17133	0.8
334.17542	0.8
336.05096	1.7
337.05920	1.8
339.03693	3.8
340.04654	9.4
341.04889	0.9
351.03656	1.6
352.04498	2.7
353.05508	3.4
354.06073	2.3
363.03693	1.7
364.04645	3.8
380.04117	100.0
381.04648	21.6
382.05353	1.3
396.07248	95.7
397.07565	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	396.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79753	3.3
59.01383	59.8
60.01739	4.8
62.00203	2.9
64.95243	3.8
69.28124	8.3
69.28535	7.3
71.01387	44.6
72.01765	3.7
73.02940	8.6
74.99104	10.3
83.01423	6.2
85.02961	12.4
85.06593	4.9
86.03285	4.0
87.00886	6.7
89.02456	27.9
96.14923	2.8
96.96047	5.4
97.02962	4.5
101.02444	29.0
104.02729	4.3
111.00900	4.8
112.29606	2.9
113.02460	9.6
114.02811	3.9
118.32150	2.7
121.03046	3.0
125.02483	7.4
128.01714	3.9
131.03520	9.6
134.03781	3.6
134.83701	2.7
146.08252	8.6
148.01616	6.1
149.04564	6.4
159.02983	4.1
161.02466	4.2
161.04558	11.5
162.04825	3.4
165.62764	3.1
171.48320	3.1
173.08228	3.6
174.08563	4.9
175.03963	4.8
176.01160	59.0
177.05681	3.7
178.05882	4.4
178.11089	3.4
184.75116	3.1
191.03516	100.0
192.03670	4.4
194.38493	3.4
199.09724	4.1
203.03416	3.9
205.30859	3.2
208.72711	3.7
246.70837	3.1
263.11349	5.8
277.12421	5.1
292.69653	3.1
309.09619	3.8
337.18930	3.4
395.15417	4.1
396.15466	13.2
397.11197	13.3
397.15466	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	396.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.6
61.98846	2.0
71.01379	9.0
71.41576	1.5
73.02962	2.0
83.01381	1.4
83.68536	1.2
85.02978	2.5
87.00854	2.0
89.02455	7.3
90.02789	1.5
93.03481	2.4
101.02451	4.1
101.06094	6.1
102.06466	1.5
108.83981	1.1
111.00833	1.2
113.02483	2.2
119.05038	100.0
120.05396	2.7
121.02969	26.7
122.03365	1.3
131.03534	2.9
135.04526	1.5
148.04063	33.3
149.04437	2.6
161.04637	1.8
191.05598	2.7
191.07198	2.0
191.80452	1.3
193.80342	1.2
211.13031	1.2
236.78247	1.6
263.95102	1.2
395.22952	1.8
396.16666	14.9
396.21851	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	396.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
56.25426	0.6
57.03446	1.4
59.01387	12.6
61.98819	1.6
69.03451	1.9
71.01386	26.0
71.05035	0.8
72.01740	1.6
73.01171	1.2
73.02956	7.9
74.99094	3.4
83.01394	2.1
85.02964	9.5
85.22129	0.8
86.03291	0.8
87.00887	1.2
89.02445	4.2
91.22906	0.7
95.01388	1.4
99.00882	4.2
101.02460	15.4
103.02262	1.2
109.03010	0.8
113.02462	12.8
113.90007	0.8
114.02723	0.8
115.04050	1.9
118.98106	8.1
119.03678	1.4
119.98402	2.2
120.97693	1.5
120.99670	11.3
121.02985	1.2
125.02503	0.8
127.02495	1.0
130.08760	2.0
137.02431	1.1
141.00389	0.8
143.03505	2.0
146.02528	4.0
147.03276	100.0
148.03613	3.7
150.93886	0.7
155.02039	0.9
159.03004	4.3
161.04575	33.7
162.05630	80.4
163.05952	2.9
169.03563	3.8
174.01942	2.9
175.02692	2.2
180.94890	1.5
191.77998	0.6
192.99998	1.3
195.01445	5.3
196.05753	1.2
201.02603	1.1
205.03668	0.9
208.02269	1.0
234.99146	1.4
238.06874	1.9
255.09505	1.3
324.10916	2.2
326.03836	0.8
337.03223	1.6
396.09430	2.5
397.09964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86115	3.0
57.86059	3.0
58.58951	3.1
59.01389	16.1
69.59942	6.8
69.60325	5.4
71.01395	3.6
93.03466	40.1
98.22582	6.2
101.06107	7.9
104.91979	3.2
106.04269	9.7
106.29060	3.0
107.05043	47.5
119.05003	5.5
121.06592	7.3
133.02979	31.4
135.04443	3.8
141.07140	17.6
143.05077	15.4
144.04552	10.5
144.05824	10.7
147.04555	5.2
149.04831	4.6
150.05624	12.1
156.05829	5.0
156.08186	5.8
157.06618	20.2
159.06955	5.0
159.08162	40.8
171.08139	3.7
174.09261	3.8
186.05580	24.5
187.06400	44.6
188.06892	3.9
199.06439	3.8
200.07173	7.7
202.08778	6.0
203.07150	10.6
221.09627	3.8
233.09740	6.8
245.09645	4.7
247.11287	64.4
248.11571	9.2
249.09137	21.3
250.09775	6.2
259.07590	19.9
263.10721	9.5
265.12375	54.7
266.12756	7.6
273.09277	8.1
274.08774	100.0
275.09479	28.8
276.10257	6.3
284.26526	3.4
290.11935	15.0
291.10175	18.9
292.09821	25.8
293.10394	5.2
308.12894	36.9
309.07397	3.2
309.11127	9.2
316.09760	4.1
334.10791	15.9
352.12082	18.6
396.10910	36.1
397.11365	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	396.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45623	1.0
61.98851	1.3
71.17991	1.5
79.95734	2.6
83.47159	1.2
84.11127	1.2
88.81039	1.3
96.96019	28.6
99.92593	54.2
100.92584	3.7
100.93280	1.7
115.92089	5.8
116.92863	6.3
118.89989	100.0
119.90004	6.5
119.90777	4.7
122.97532	1.4
134.89481	5.9
135.90266	16.6
150.89015	2.4
178.01913	1.4
241.40031	1.3
311.16922	3.6
320.92703	1.5
360.13965	14.1
396.11661	38.0
397.11899	6.2
397.22626	32.7
416.25577	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	396.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01411	0.8
60.08755	0.7
74.17012	0.8
104.48145	0.8
110.57691	0.7
148.01729	0.9
171.08154	2.4
187.07654	2.7
189.01884	1.9
190.02684	2.5
199.07669	7.1
200.07959	1.4
215.07065	1.7
216.07422	1.1
225.87183	0.9
229.04984	1.5
240.15106	1.0
243.06624	83.4
244.07050	14.8
288.84494	0.9
312.13702	30.4
312.17490	1.5
313.13950	6.1
327.16043	100.0
328.16388	25.3
370.68750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77174	17.1
55.32457	17.7
61.98829	26.0
69.47967	70.4
69.48380	30.8
78.24481	21.5
82.60601	18.5
96.96011	100.0
98.21938	41.6
118.89994	33.6
183.01187	37.9
203.27216	25.6
276.19122	19.9
311.16901	47.4
337.72968	21.4
339.19962	29.2
397.22632	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89629	26.3
63.14823	37.7
69.45827	100.0
92.64165	29.2
98.21904	68.3
99.96226	28.3
149.30121	29.6
222.12325	28.2
397.22330	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.7
61.98825	0.4
69.03445	0.5
70.59667	0.7
71.01382	1.8
78.95916	0.6
87.00852	0.4
89.02454	1.1
93.03465	0.9
98.99411	0.4
101.00983	0.5
101.02439	0.8
113.02448	0.8
115.04005	0.6
117.00461	0.8
120.99668	100.0
121.99989	1.3
129.04155	0.8
135.04509	0.3
137.02509	1.9
141.00462	1.2
155.01974	1.7
157.03581	0.7
167.02057	0.8
169.03595	1.0
171.05196	0.6
181.71703	0.3
183.01564	0.4
189.07088	0.3
192.98332	0.4
192.99998	0.8
193.03618	0.7
195.01500	1.0
197.03149	1.0
199.04712	0.5
201.02518	0.5
208.02350	1.2
217.81335	0.3
219.55081	0.4
222.99429	0.4
223.55501	0.3
234.00270	1.1
234.99165	0.5
235.04642	0.9
273.41309	0.5
311.08508	0.5
337.03827	0.8
337.07077	0.6
338.00125	0.4
351.37592	0.4
397.08319	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	397.1144
Annotation	Picraquassioside A
Peak:m/z	Relative Intensity
57.03460	1.2
59.01386	53.4
61.98835	1.1
64.01933	1.4
71.01390	21.8
72.99321	1.3
73.02953	1.5
77.05231	0.9
83.01392	1.2
83.25063	0.6
85.02964	7.9
85.06608	3.2
87.00870	1.6
89.02454	17.5
89.16473	0.8
93.03455	4.3
95.01369	2.1
101.02454	14.4
108.34951	0.7
109.02939	0.8
113.02449	7.4
115.03973	1.0
119.03508	8.0
121.02968	4.7
127.04073	0.7
130.04257	2.5
130.08708	1.1
131.03529	0.7
132.02188	0.7
133.02943	2.5
135.04544	2.9
137.02452	3.3
145.02971	0.9
149.00955	1.0
161.02432	6.7
161.04515	0.9
163.03922	0.9
173.02466	1.9
174.03227	4.6
175.03906	1.2
177.01909	1.2
179.03510	1.3
189.01877	1.2
189.07683	0.8
191.03610	2.2
191.05615	9.3
201.01947	9.5
202.02730	59.6
203.03432	13.1
204.04039	1.1
206.00932	5.7
217.05069	100.0
218.05402	5.8
221.04555	1.5
224.02016	1.2
265.07104	1.3
346.23419	0.7
368.77689	0.9
380.18231	1.0
381.67410	0.7
382.09021	2.4
397.11371	45.3
398.07156	2.4
398.11652	4.5
403.99680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.6
57.03445	2.7
58.00595	1.6
59.01385	100.0
60.01712	1.1
69.03472	4.5
70.07019	0.9
71.01389	67.7
72.01739	1.2
72.99313	2.8
73.02575	1.0
73.02952	15.1
75.00878	1.5
81.03462	2.5
83.01402	9.1
85.02957	14.2
86.00112	1.4
87.00891	10.4
89.02454	52.4
90.02777	1.0
91.04023	1.6
93.03493	1.3
93.95442	0.7
95.01389	4.6
95.05044	1.0
97.02959	12.3
99.00917	3.9
101.02454	56.8
101.49160	0.8
102.02773	1.0
103.04062	1.1
109.03010	1.0
111.00893	1.2
111.04537	3.5
113.02460	21.9
115.03973	1.7
119.03518	19.1
121.02934	1.5
125.02457	15.7
131.03511	2.3
133.05107	4.6
139.04050	2.0
143.03496	7.0
149.04552	1.9
161.04565	10.6
167.03540	1.2
169.05125	1.0
169.09137	0.8
179.05588	4.1
217.07245	2.4
221.06689	3.7
235.08237	16.4
236.08727	1.2
245.06790	1.1
263.07803	1.4
277.09384	1.1
287.07782	1.5
305.08801	1.9
379.12311	1.5
397.13538	50.4
398.14020	4.9
417.31479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.7
57.03454	3.0
58.00587	1.0
59.01381	100.0
60.01727	1.1
68.99830	1.4
69.03465	5.6
71.01386	69.8
72.99318	3.3
73.02950	13.5
75.00883	2.7
81.03462	3.6
83.01389	6.9
85.02955	15.4
86.00101	1.4
87.00879	13.6
89.02452	57.2
90.23074	0.8
91.04056	2.1
95.01390	5.8
97.02348	1.5
97.02958	14.6
99.00873	4.0
99.04536	1.0
101.02451	54.1
102.02808	1.7
103.04014	1.4
109.02956	1.6
110.31177	0.8
111.00900	1.6
111.04546	3.6
113.02452	23.4
115.04023	1.5
119.03506	21.5
121.02974	2.0
123.04556	1.2
124.01705	1.8
125.02461	16.9
125.03321	1.3
131.03534	3.4
133.05089	5.3
139.04044	2.6
141.01950	1.4
143.03545	7.5
149.04585	1.4
157.04993	1.3
161.04585	10.5
169.05089	1.6
179.05637	4.1
185.04469	1.0
199.06175	1.1
217.07133	2.4
221.06688	3.4
235.08205	16.5
236.08734	0.9
245.06708	0.9
253.09361	1.6
263.07751	1.5
277.09357	2.1
287.07791	1.4
305.08804	1.9
305.21243	2.7
323.09772	1.1
361.11624	0.9
379.12570	0.9
397.13531	53.8
398.13879	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	397.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03449	0.8
59.01382	17.3
61.98833	1.7
63.77921	0.5
69.03459	2.4
69.71169	0.5
70.60846	1.1
71.01381	6.2
71.05030	1.0
73.02953	2.8
83.01398	1.9
85.02973	4.2
87.00888	1.1
89.02452	2.2
89.75041	0.6
93.03448	1.5
94.94286	0.6
97.02908	0.5
99.00872	1.0
99.04536	0.5
101.02454	8.4
103.04039	1.2
108.02206	0.7
109.02934	0.7
113.02461	6.2
115.04018	3.8
117.05576	3.3
120.99665	100.0
121.66678	0.5
121.99981	1.6
129.04106	0.5
135.04533	0.6
137.02400	3.0
141.00488	0.6
149.01028	0.6
159.03027	1.2
161.04584	5.5
167.00282	0.8
167.01912	0.5
169.03566	2.6
195.01527	1.5
206.48763	0.5
208.02310	1.4
209.01408	0.8
223.08255	28.7
224.08618	1.2
234.00229	1.3
234.99188	2.1
235.01175	1.4
255.03661	0.7
287.98380	0.6
315.07379	0.8
337.04037	2.8
339.03732	0.7
349.56424	0.5
397.08191	5.8
397.17032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
57.03442	4.0
58.00592	2.4
59.01386	100.0
68.27125	1.1
69.03463	3.3
71.01390	78.2
71.05037	16.3
72.01747	1.3
72.99294	1.6
73.02567	1.7
73.02955	23.6
75.00894	1.2
83.01406	11.0
84.72363	1.1
85.02467	2.0
85.02966	29.4
87.00883	4.7
89.02457	50.9
93.03471	4.7
95.01392	3.6
97.02940	3.1
99.00890	6.5
99.04521	5.7
101.02454	60.0
102.02821	2.1
109.02973	1.8
111.00891	4.9
113.02469	25.6
115.04012	4.5
119.03521	8.8
119.05090	1.3
125.02455	6.1
129.02000	1.3
131.03516	19.0
137.02510	6.5
143.03516	7.1
149.04584	14.4
159.02994	3.9
161.04585	22.1
162.05063	1.3
163.04030	1.4
167.00311	3.3
168.99394	1.9
173.04654	1.3
175.06134	7.8
175.33722	1.1
177.01917	4.2
191.05681	3.5
192.98230	3.7
198.72115	1.4
209.01288	6.0
220.34001	1.2
233.06657	3.7
234.99222	12.3
247.11884	1.8
265.12952	63.7
266.13138	3.0
288.40338	1.0
341.96683	1.1
397.06827	1.7
397.17184	48.7
398.17722	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	397.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
59.01384	5.6
68.99799	0.6
69.86364	1.8
71.01386	13.0
73.02953	4.2
83.01405	1.5
85.02956	4.0
89.02452	2.6
95.01376	1.1
98.22482	0.9
99.00894	2.0
99.19070	0.6
101.02465	8.3
101.03135	1.0
105.01941	2.5
107.05035	2.7
113.02473	6.5
119.03471	1.1
121.02962	1.5
122.03744	1.1
125.02469	0.7
129.01868	0.5
132.04547	1.6
135.04541	93.8
136.05156	4.5
137.02473	1.2
143.03506	1.1
146.03633	0.8
147.04517	5.9
148.05327	2.6
149.06085	0.6
157.06604	1.5
159.03000	1.7
159.04396	1.0
160.05307	2.1
161.04582	10.8
161.05878	1.3
164.04826	4.2
173.09755	4.3
174.06848	0.9
175.07657	2.4
176.08467	1.1
189.09261	3.0
189.12943	0.7
190.10016	100.0
191.10786	61.0
192.11169	3.5
203.10794	2.6
205.08629	0.9
205.12314	1.0
215.10706	1.5
218.09492	1.0
233.11813	10.7
234.12106	0.7
245.11880	5.2
348.01859	0.6
353.15939	1.9
397.14896	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	397.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05789	0.7
55.01872	2.8
57.03445	2.4
59.01384	7.7
64.15421	0.8
68.99816	1.4
69.03481	1.0
70.91615	1.6
71.01387	39.6
73.02950	13.9
75.00909	0.9
83.01383	4.2
85.02960	15.4
89.02451	2.0
95.01394	3.1
97.02928	1.1
99.00897	4.6
101.02457	20.1
102.05618	1.6
107.05042	5.6
113.02457	17.8
122.03748	1.7
125.02438	2.1
129.01949	1.0
134.03757	2.4
135.04539	62.2
136.05383	4.4
143.03496	2.1
148.05328	13.2
153.09167	1.1
159.02988	4.4
161.04584	24.7
175.04076	1.3
176.08443	5.3
176.16698	0.9
177.09262	1.3
179.03426	0.8
189.01910	0.8
190.09959	3.5
191.10789	100.0
192.11165	7.2
193.04996	1.8
205.08731	3.1
235.09695	1.2
277.14514	1.2
285.58945	1.0
353.16138	1.1
384.04047	1.0
397.14749	3.3
397.20200	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	397.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01385	8.8
71.01376	0.5
71.40405	0.5
79.95741	1.5
85.02943	0.8
87.04513	0.8
96.96017	100.0
98.79886	0.4
137.02414	0.5
145.08743	2.3
151.04080	0.4
164.83627	0.3
165.01941	0.5
191.07205	0.6
192.03876	0.4
253.43446	0.3
299.19043	0.3
317.19659	4.7
318.20026	0.5
335.15393	2.1
337.13336	1.2
397.15384	49.5
398.15750	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	397.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.5
57.03465	5.6
58.00610	0.9
59.01387	100.0
61.98823	1.0
63.23171	0.9
64.55317	0.8
68.99862	1.3
69.03471	5.0
69.40919	0.7
71.01392	98.1
72.01734	1.8
72.99331	3.9
73.02956	27.4
73.94663	0.7
75.00881	1.4
81.03490	1.1
83.01399	14.4
84.44483	0.8
85.02963	35.9
86.00085	0.8
86.03318	1.0
87.00900	5.4
89.02457	64.8
90.02760	1.4
93.03486	1.8
95.01395	6.2
96.96976	2.0
97.02424	0.8
97.02954	5.0
99.00893	7.6
101.02457	68.0
102.02789	1.6
103.07671	1.1
111.00897	10.2
113.02473	29.1
114.02782	1.0
115.04037	2.3
119.03506	5.0
119.05051	1.4
125.00435	1.4
125.02460	8.2
127.04070	0.9
129.01978	1.4
131.02534	1.6
131.03523	25.2
135.04582	1.3
137.02390	1.9
141.01889	1.0
143.03542	6.5
149.04576	24.7
159.03008	4.8
161.04587	25.0
162.04974	1.2
168.99438	5.8
173.04619	1.9
177.01942	4.6
179.05836	0.8
191.05663	5.3
193.67729	0.7
209.01425	1.4
233.06664	9.0
234.99339	2.6
235.11870	14.6
247.11896	1.8
249.04854	2.8
265.12958	51.5
266.13251	3.7
267.75153	0.9
293.08878	2.8
305.20627	0.8
337.06451	2.0
394.82190	0.9
397.06979	7.0
397.17188	63.6
398.06851	1.2
398.17618	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	397.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59959	0.6
55.01888	3.9
57.03455	4.2
57.81343	0.8
58.00586	1.7
59.01386	100.0
60.01731	1.3
69.03468	2.0
70.98991	1.2
71.01391	76.9
71.05030	14.3
72.01730	1.4
72.99328	2.4
73.02954	19.6
75.00887	1.5
81.03480	1.2
83.01395	11.4
85.02964	26.0
86.00143	1.3
87.00884	5.8
89.02458	49.8
93.03492	2.6
95.01390	4.3
97.02949	3.8
99.00877	6.3
99.04522	3.6
101.02457	58.0
103.04060	1.1
106.77765	0.8
109.02960	0.9
111.00895	5.5
113.02465	23.3
115.03999	3.9
119.03510	7.8
125.02431	3.9
127.04068	0.8
129.01947	1.2
131.03523	26.6
132.03899	0.9
135.04489	1.0
137.02486	4.0
137.06061	1.0
143.03516	5.5
149.04584	11.6
159.03012	2.7
161.04576	22.0
162.50467	0.8
167.00365	1.1
168.99467	1.2
175.06067	6.1
177.01956	2.2
179.05696	1.3
184.37062	0.8
191.05658	2.5
192.98317	1.8
197.04677	0.8
207.26041	0.8
207.96989	0.9
209.01364	2.6
215.05672	1.6
216.85301	0.7
224.80595	0.7
233.06671	4.0
234.99220	5.5
247.11894	1.2
265.12949	60.2
266.13300	4.2
397.17191	49.6
398.17740	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	397.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60728	0.5
57.03444	2.6
59.01383	7.6
61.98823	2.6
69.03482	0.9
70.98830	0.8
71.01385	3.4
71.05029	25.3
72.05347	1.2
72.99323	0.7
73.02953	0.9
73.06598	2.1
75.00880	0.8
78.95911	1.4
79.01996	0.6
80.91674	0.7
81.03454	1.1
81.54096	0.6
85.02957	0.9
87.00876	2.1
87.90464	0.6
89.02457	2.3
93.03470	6.1
96.96963	2.1
97.02985	1.0
99.00900	0.7
99.04525	10.8
101.02449	2.5
103.04021	1.4
108.02184	2.8
109.02943	0.9
113.02454	1.7
115.04027	14.0
116.04377	3.3
117.05591	100.0
118.05923	3.4
119.03521	1.1
120.99658	10.9
129.04099	1.8
130.08731	1.9
131.03484	1.1
134.04721	0.9
135.04512	0.5
137.02457	9.2
141.00406	0.8
148.04054	1.6
149.00865	0.8
152.01172	2.3
153.01974	0.8
153.04268	0.6
155.02020	4.4
156.04576	0.6
157.03596	0.6
161.02496	0.7
161.04587	1.0
166.01270	1.5
167.00325	0.6
167.01891	0.9
169.03629	0.6
170.99792	1.1
171.05173	1.5
173.03073	0.9
191.01970	0.8
191.99149	1.3
192.98251	0.9
192.99911	1.3
195.01457	0.7
197.03075	2.7
198.99406	0.6
199.03085	0.6
199.04614	2.7
208.02245	3.9
209.01259	1.1
211.96185	0.6
213.00902	0.7
219.01566	0.7
222.38084	0.6
223.08267	1.2
228.38515	0.7
234.00255	5.3
234.99268	2.2
235.01149	1.6
235.06067	0.8
249.06346	0.7
255.07449	0.7
259.01462	0.9
265.93585	0.5
307.44040	0.7
311.08463	1.7
315.07248	4.2
337.03342	4.6
337.06570	3.1
355.07437	0.7
397.05795	2.8
397.17303	2.6
398.10904	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	397.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	19.4
69.16501	1.6
69.16795	8.0
72.99316	1.1
84.99274	1.4
87.00886	13.0
98.22713	2.0
103.00392	3.3
112.98810	10.7
119.96886	1.1
130.99939	1.3
133.08995	1.0
149.00925	5.1
189.01942	1.1
190.99971	1.9
191.18037	2.4
235.17059	3.2
247.17072	4.9
265.18112	100.0
266.18353	10.9
351.21863	1.6
367.04678	2.1
368.27740	1.3
382.06876	1.9
397.09171	3.6
411.69455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1247
Annotation	Ceratonicine
Peak:m/z	Relative Intensity
55.36304	0.5
67.33361	0.5
73.79085	0.6
78.09830	0.6
95.86660	0.6
133.03026	0.8
182.24654	0.6
189.04257	1.0
190.05106	1.0
202.05132	1.5
205.03812	0.7
207.06993	0.7
215.83105	0.7
217.03809	2.7
218.04596	1.8
219.05457	0.8
219.44522	0.6
222.05602	1.7
223.06381	1.7
224.91364	0.6
230.04601	1.0
234.05576	2.3
236.03539	1.4
237.04301	2.1
250.05182	5.4
251.05901	3.8
254.08319	1.2
262.05069	1.4
264.06674	1.4
268.06131	1.5
278.04568	6.0
279.05338	8.7
280.06046	2.5
281.06931	0.9
282.07733	14.8
283.08102	1.5
292.06213	6.7
293.06760	1.5
294.04181	1.6
294.07773	2.4
295.04907	3.5
296.05569	2.5
306.04095	1.9
308.05560	3.0
309.06461	6.5
310.07214	10.2
311.07764	0.9
312.08771	0.6
320.05643	6.6
321.06375	5.0
322.07172	1.2
323.04361	0.9
324.05194	1.1
324.08853	2.7
337.05930	12.2
337.09610	1.0
338.06714	67.6
339.07056	7.5
340.08005	0.8
352.08307	10.2
353.09048	68.4
354.09454	8.3
368.11401	36.1
369.11627	4.4
383.10117	18.4
384.10336	1.9
398.12469	100.0
399.12802	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	398.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08379	75.3
92.57941	76.2
102.99200	86.1
138.51816	88.4
144.39742	77.7
153.98138	91.9
192.52469	80.9
225.99002	81.8
228.75266	100.0
246.60881	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80225	18.6
54.97019	19.0
55.90597	18.5
65.60116	16.2
65.84177	20.7
69.82835	15.8
70.09201	28.7
70.09540	38.7
85.46935	20.9
89.55859	17.3
159.51552	19.4
231.28342	21.3
281.24991	26.4
282.25266	100.0
362.53882	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	399.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.0
61.98818	0.6
69.03457	1.6
71.01386	0.8
71.05023	7.3
72.99310	0.5
78.95910	0.8
78.98132	0.4
97.02958	1.8
105.01944	4.0
115.04020	23.6
117.00462	4.7
118.00530	0.5
118.50710	0.4
120.86371	0.4
122.99275	0.7
127.02518	1.4
129.02251	0.5
129.04068	3.2
131.02020	5.6
132.02187	0.5
141.00461	1.1
145.03593	1.0
153.04121	2.9
154.04230	0.8
155.02020	11.4
156.02162	0.8
157.01723	0.7
157.03584	1.4
159.01509	4.0
168.01630	0.5
169.03587	4.1
170.03809	0.7
170.97942	0.4
171.05153	31.2
172.05347	2.4
173.03087	1.4
182.94533	0.6
195.01477	0.9
197.03070	100.0
198.03258	9.2
201.02580	12.9
201.04466	0.7
202.02792	1.3
217.00403	1.2
217.72955	0.6
231.02058	0.7
241.00381	0.5
257.05194	29.8
258.05377	2.5
259.01517	2.8
273.03140	5.3
274.03302	0.9
287.04782	2.9
294.99762	0.5
297.03409	0.5
339.04111	12.0
340.04465	2.1
371.03256	2.6
372.03250	0.7
399.01169	0.7
399.06198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
58.64156	0.8
59.01381	2.5
66.72742	0.9
71.39433	0.9
72.21339	0.8
72.99328	2.3
75.00868	4.6
81.90367	0.7
85.03008	0.9
86.82124	0.8
87.00885	1.4
104.03586	1.8
105.01948	100.0
106.02264	2.3
119.16169	0.8
135.04553	5.9
137.02428	1.5
193.05099	2.5
193.08794	1.0
225.04239	0.9
237.07675	1.4
265.10541	1.0
285.18539	0.9
292.33661	0.9
303.41583	0.9
399.12787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
69.56108	2.8
72.99333	3.1
75.00880	6.4
85.80572	0.8
98.22630	1.4
104.03545	0.8
105.01945	100.0
106.02296	2.3
135.04510	0.8
145.58325	0.7
157.70253	0.8
238.01549	0.7
245.83220	0.7
291.86673	0.8
379.48883	0.7
424.52026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1299
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
55.01873	2.1
57.03456	2.0
58.00595	1.4
59.01383	50.0
69.31037	4.2
71.01387	27.4
72.99318	0.8
73.02950	4.5
77.37215	0.9
79.90349	0.7
79.90807	0.7
83.01395	3.9
85.02956	9.1
87.00893	1.6
89.02452	17.7
89.77779	0.8
95.01375	2.8
99.00854	1.1
101.02454	20.3
106.87296	0.7
109.02935	1.6
113.02461	8.5
119.03510	6.0
121.02931	3.4
123.04523	1.1
125.02389	0.8
128.03493	1.0
131.08661	1.0
133.02950	10.2
134.03751	1.2
135.04546	5.2
136.75717	0.8
137.02493	1.2
145.02956	1.1
151.03958	1.1
157.06604	1.0
159.04596	1.4
160.05315	1.1
160.08908	2.0
161.01096	1.6
161.02454	32.5
161.04465	6.3
161.05954	1.2
162.02794	1.6
163.07628	1.7
173.06100	0.9
175.07651	16.5
175.11320	4.7
179.03500	1.4
191.10497	1.1
193.08800	2.2
203.03519	1.1
210.08505	0.8
219.06679	5.2
219.10210	4.0
236.05298	1.0
237.07689	1.3
251.11357	18.3
252.11678	0.8
267.12405	1.0
281.87180	0.8
298.16147	0.7
345.27771	0.8
355.08084	2.2
399.12903	100.0
400.13333	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	399.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52738	0.3
57.03450	16.1
58.03791	0.4
59.01377	0.6
60.41566	0.3
61.98821	0.4
68.92339	0.4
70.94643	0.4
70.94984	0.4
71.01380	0.5
90.34320	0.3
93.03460	0.5
99.92513	0.4
100.25309	0.4
101.02451	7.4
107.05031	4.8
108.02213	0.5
116.92863	0.4
121.02967	0.8
122.03740	0.4
133.02971	2.0
134.03757	3.5
135.04532	100.0
136.01671	0.6
136.04871	4.3
137.02469	0.5
145.02971	1.0
146.03737	3.4
149.02303	0.5
150.03180	0.4
151.03999	0.5
157.06656	0.4
159.04524	1.4
160.05310	6.9
161.02542	0.5
161.05721	0.4
163.04088	0.5
163.07661	0.6
164.08438	0.3
165.72473	0.4
174.06758	0.4
175.07648	12.0
176.08052	0.9
177.01924	1.9
191.07202	1.4
192.07959	0.9
193.08685	9.8
194.09084	0.8
203.03749	0.4
236.06969	0.8
237.07701	22.7
238.08084	1.6
318.35809	0.4
399.13031	12.1
400.13361	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	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	19.3
59.01380	2.3
61.98837	12.9
62.98912	0.6
69.66187	2.2
71.01406	1.4
85.02945	0.9
89.02453	1.2
93.03474	0.9
101.02460	6.4
107.05054	5.0
108.02205	0.9
113.02462	0.8
121.02970	1.3
122.03793	1.5
134.03772	4.9
135.04543	100.0
136.01665	0.9
136.04878	3.5
137.06113	0.9
138.03178	0.9
145.03012	2.1
146.03769	6.4
157.06552	1.0
159.04547	3.4
160.05310	16.7
161.05661	1.6
163.04114	0.7
163.07663	2.2
174.06874	0.9
175.02625	0.8
175.07658	29.8
176.08017	2.2
191.05649	1.0
191.07182	2.1
192.07983	1.6
193.08711	12.9
194.09036	0.9
201.11414	1.4
205.03415	0.6
219.06525	0.8
236.06920	1.7
237.07704	46.6
238.08086	2.7
399.13013	32.1
400.13199	2.8
402.03873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1297
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Peak:m/z	Relative Intensity
51.90333	0.6
57.03170	1.1
57.03452	16.3
59.01384	12.1
61.98826	1.9
67.63283	0.5
67.73253	0.6
69.03409	0.6
71.01383	2.8
85.02966	0.7
89.02454	2.0
95.05042	0.6
101.02451	7.9
107.05035	5.6
109.02960	1.8
119.03500	0.8
121.02961	2.1
121.29464	0.6
122.03748	1.8
123.04501	1.3
125.02467	1.1
125.06095	0.8
132.02188	0.8
134.03752	6.1
135.04538	100.0
136.01692	1.5
136.04802	3.2
137.02432	0.7
138.03241	1.4
145.02968	1.9
146.03748	5.8
147.04439	0.6
149.02443	0.7
149.06084	0.7
151.03972	1.2
157.06651	0.8
159.04547	2.9
160.01714	3.2
160.05321	15.8
161.02461	1.3
161.05740	1.4
163.04047	1.3
163.07643	1.4
164.08456	0.8
174.06750	1.2
175.04126	1.1
175.07649	28.9
176.01192	1.3
176.07993	2.4
176.47856	0.6
177.01999	1.0
182.81871	0.6
191.03514	2.4
191.07176	2.2
192.07950	1.3
193.01483	1.9
193.05174	1.2
193.08710	14.0
194.09079	0.9
201.11343	14.6
203.03522	1.3
203.32002	0.7
205.05092	0.8
219.03014	1.9
231.02991	0.8
236.06978	1.1
237.03967	1.6
237.07700	45.9
238.07980	2.8
246.91350	0.6
275.61340	0.6
347.12244	0.6
355.08228	3.3
399.08481	2.4
399.12988	29.2
399.17084	2.5
400.13306	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	399.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.8
59.20844	3.4
61.98816	3.6
71.01393	12.9
71.43150	3.4
78.95914	100.0
81.88774	3.8
85.02964	3.4
89.02453	11.9
93.03497	6.5
96.96970	26.7
101.02482	5.4
109.04079	4.5
109.09887	2.9
113.02483	5.3
135.04541	11.0
143.64664	4.3
163.04041	5.3
175.07791	3.4
179.03505	4.3
182.59091	3.1
201.01810	4.6
222.68286	3.2
241.07452	3.8
242.01779	3.1
357.08801	13.6
399.09552	26.1
399.19360	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	399.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42970	0.9
59.01384	64.4
69.32199	3.9
69.92687	1.0
71.01376	7.5
79.81274	1.1
85.02956	1.4
87.00898	1.3
89.02460	3.8
96.96053	1.4
97.61886	1.1
98.95575	1.4
101.02450	1.6
119.03552	1.7
122.04678	1.1
123.08173	4.1
135.04555	1.9
137.02370	1.1
145.06621	1.4
146.03792	1.3
157.06583	2.3
159.04604	1.3
160.05312	2.9
162.03198	3.3
173.06155	1.3
175.04102	1.3
175.07626	6.0
177.05569	4.7
187.65327	1.1
189.05664	1.2
193.05070	1.7
193.08743	4.0
201.11339	100.0
202.11665	6.3
217.98532	1.8
219.06627	15.8
237.07813	1.5
363.16592	1.5
399.05478	2.4
399.13901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	20.4
59.01394	5.8
59.09594	1.3
60.99010	1.3
61.98851	1.5
69.11931	9.4
71.01375	2.4
85.02975	2.1
87.04517	6.1
89.02420	1.6
101.02442	7.8
106.51518	1.4
107.05037	5.0
121.02972	3.0
122.03709	2.0
123.04556	2.6
134.03751	6.3
134.25095	1.3
135.04539	100.0
136.01662	1.6
136.04913	3.4
145.02995	2.3
146.03743	5.9
152.29720	1.6
159.04553	3.3
160.05301	16.8
163.03981	2.8
163.07660	4.6
174.06845	1.3
175.07660	29.3
176.08031	1.5
189.29433	1.6
191.03621	1.9
191.07130	2.5
193.08705	14.2
194.00273	1.3
201.11322	9.8
224.80632	1.3
237.07681	38.4
238.07938	2.2
383.64459	1.3
399.08392	2.8
399.13107	25.9
400.13562	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	399.143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	20.4
59.01394	5.8
59.09594	1.3
60.99010	1.3
61.98851	1.5
69.11931	9.4
71.01375	2.4
85.02975	2.1
87.04517	6.1
89.02420	1.6
101.02442	7.8
106.51518	1.4
107.05037	5.0
121.02972	3.0
122.03709	2.0
123.04556	2.6
134.03751	6.3
134.25095	1.3
135.04539	100.0
136.01662	1.6
136.04913	3.4
145.02995	2.3
146.03743	5.9
152.29720	1.6
159.04553	3.3
160.05301	16.8
163.03981	2.8
163.07660	4.6
174.06845	1.3
175.07660	29.3
176.08031	1.5
189.29433	1.6
191.03621	1.9
191.07130	2.5
193.08705	14.2
194.00273	1.3
201.11322	9.8
224.80632	1.3
237.07681	38.4
238.07938	2.2
383.64459	1.3
399.08392	2.8
399.13107	25.9
400.13562	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	399.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.2
57.03435	2.8
59.01387	92.0
69.46175	1.7
71.01391	38.1
71.41111	2.8
72.99337	3.1
73.02951	5.4
73.14187	2.0
83.05047	6.0
85.02966	15.8
87.00895	5.2
89.02452	30.5
93.07088	2.3
95.01390	4.9
99.00874	2.8
101.02454	26.7
109.06615	2.4
113.02460	14.5
116.07180	4.0
117.35838	2.0
119.03515	14.1
121.02976	3.2
122.00102	2.1
129.10327	4.5
133.10257	5.3
145.06554	4.8
146.66676	1.9
149.00929	7.3
157.10216	2.4
159.08218	4.4
160.08960	52.6
161.02441	2.8
161.04527	9.6
161.09358	3.2
161.13344	2.7
163.07703	2.3
169.82710	2.0
173.09781	9.6
175.11296	84.5
176.11664	6.3
179.05644	1.9
205.12357	3.6
219.10284	100.0
220.10651	8.2
223.13457	2.8
237.07513	2.3
237.11351	2.6
251.11377	25.6
252.11812	2.4
267.12408	5.1
399.12988	5.3
399.16785	55.6
399.25961	5.1
400.16998	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	399.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23840	0.8
51.38800	0.8
57.03447	2.0
59.01384	53.5
60.01714	0.9
71.01019	1.7
71.01388	23.1
72.99319	1.3
73.02953	1.1
82.88587	0.9
83.01393	2.1
83.05041	4.5
85.02958	6.0
87.00873	1.6
89.02451	21.1
91.05524	2.1
93.07095	2.9
93.13089	0.9
95.01396	1.7
96.96008	0.9
99.00832	0.9
101.02441	11.2
105.07130	1.3
109.02933	1.4
113.02454	7.0
119.03489	5.9
119.05006	2.3
121.02950	1.5
125.02476	1.2
133.03012	1.2
133.10277	5.3
134.03868	1.0
135.04492	2.6
135.08066	0.9
137.02454	1.4
143.03497	1.1
145.06618	8.3
149.02385	1.0
149.09581	1.3
157.10254	2.2
158.07387	1.1
159.08153	4.0
160.08955	47.2
161.02440	2.6
161.04567	2.0
161.09315	2.5
163.04036	1.9
163.07668	9.2
173.09731	9.1
174.06841	1.0
175.11302	78.2
176.11653	5.0
179.05618	0.9
192.07968	1.4
193.08745	1.9
194.43181	1.1
219.10281	100.0
220.10590	7.3
221.08110	1.4
237.07672	8.2
237.11270	1.3
251.11455	3.2
328.74991	1.2
380.21579	1.2
399.12918	4.3
399.16953	28.2
400.17035	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90538	0.5
56.70412	0.6
58.74950	0.6
59.01384	2.8
63.96791	0.6
71.01379	2.2
71.41833	0.7
72.45148	0.5
73.02959	1.2
85.02954	1.1
87.52707	0.6
89.06084	1.0
93.63834	0.6
94.48677	0.6
94.83971	0.5
101.02463	1.8
108.02174	1.3
109.02922	1.2
113.02427	1.0
117.12719	0.6
121.02935	3.6
122.03769	0.7
131.05319	0.6
133.02974	0.7
135.04530	0.7
136.01657	2.1
137.02449	6.7
138.03255	2.7
149.02489	2.7
150.03252	5.5
151.03975	1.3
152.01199	0.6
153.01968	1.3
155.32094	0.6
160.05247	0.6
161.02438	3.1
161.04597	1.3
161.06021	1.1
165.01935	8.8
166.02762	3.3
167.03510	7.4
173.06093	0.7
174.03394	0.5
175.07707	3.5
176.04797	3.2
177.09184	0.7
178.02711	12.8
179.03529	3.3
181.05086	1.4
187.04037	0.7
187.07729	0.8
188.04689	0.9
189.05605	5.3
191.07130	3.3
192.07916	3.1
193.08702	6.4
203.07158	5.7
204.07941	9.6
205.08511	0.6
219.10287	8.9
220.07448	1.0
220.10893	0.7
221.08206	49.0
222.08943	20.3
223.09497	0.7
235.09850	3.4
236.10541	18.2
237.11336	100.0
238.11653	7.4
251.11397	1.9
267.12476	0.7
278.03610	1.7
399.12799	1.2
423.11743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.6
59.01126	1.0
59.01387	12.9
69.03442	1.8
69.30128	3.8
69.30553	1.5
71.01376	2.6
71.05025	3.4
72.99344	0.9
73.02960	2.1
74.02505	1.0
75.16702	0.8
77.92115	0.8
81.03467	2.0
83.05029	4.1
85.03015	0.9
85.06601	5.3
87.00896	11.0
91.84391	0.9
93.03477	0.9
95.55505	0.8
97.06636	1.3
99.04532	14.4
103.00347	2.3
105.68926	0.8
108.02167	1.2
108.04549	0.8
109.02962	12.5
111.08168	2.0
112.98823	6.4
113.02395	0.8
116.41751	0.9
121.02988	1.1
125.09715	2.5
127.41563	1.0
128.03554	1.0
130.08708	0.8
130.99887	1.0
134.89012	0.8
135.69510	0.8
137.02437	1.0
137.09746	1.8
139.11223	1.8
149.00923	1.8
152.01149	1.9
153.01985	7.5
153.09299	1.4
153.12881	1.6
167.10774	6.9
179.10829	2.4
191.05640	1.1
195.35739	0.8
197.11873	12.8
198.12187	1.0
205.15988	2.4
207.13814	1.5
219.13921	2.1
223.17065	5.0
231.13911	1.9
234.98058	0.8
249.15013	7.6
250.15262	1.1
267.16028	100.0
268.16364	9.4
274.23288	1.2
323.10330	2.5
355.21024	1.0
367.09363	2.0
399.12521	6.9
399.20844	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00876	0.7
56.79833	0.8
57.03453	5.2
59.01382	25.4
62.72601	0.7
69.03458	10.1
69.08981	5.4
71.01379	2.7
72.99316	1.2
73.02956	2.4
75.00854	0.9
77.04575	0.8
77.20760	0.8
80.55371	0.8
81.07092	1.3
82.92470	0.8
83.05035	6.8
85.02943	1.5
87.00880	18.0
89.02457	2.0
93.03439	1.4
93.07086	1.1
95.05038	1.5
98.21880	1.7
99.04507	2.1
101.02435	1.7
103.00380	9.8
105.01954	1.1
106.96507	0.8
109.02940	0.8
109.06608	0.9
111.08146	2.8
112.98818	18.1
113.02460	1.0
113.06142	0.9
115.03989	1.1
119.03546	1.4
130.08742	1.1
130.99873	1.7
135.11821	8.0
137.02487	4.1
137.09729	2.4
149.00893	2.9
155.07153	2.2
179.09311	1.3
179.10794	17.1
180.11209	1.1
191.05620	0.8
197.11790	2.5
219.10286	1.3
219.13922	1.1
222.09149	0.7
267.16025	100.0
268.16351	6.6
283.15305	0.9
293.04504	1.3
298.59113	0.9
399.16739	5.1
399.25766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.1
87.00873	10.0
95.01009	2.3
103.00372	3.9
112.98819	12.8
131.32170	2.3
161.59120	2.0
237.18793	2.5
249.18520	3.9
267.19659	100.0
268.19986	7.7
279.18027	2.3
309.86426	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	399.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28756	0.8
58.15092	0.7
59.01400	1.6
71.01413	1.4
83.41362	0.6
85.01186	0.7
87.00878	3.2
92.92844	0.8
120.99698	2.7
134.70540	0.8
194.57547	0.7
233.52615	0.8
255.23340	1.8
271.38452	0.7
277.18710	1.6
277.21750	26.1
278.22125	2.2
279.23276	11.9
280.23627	0.9
293.19485	1.4
311.20532	100.0
312.20914	10.0
399.22116	41.4
400.22287	6.7
421.31015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76211	3.7
59.01389	44.1
69.58627	7.6
94.76615	3.6
147.84293	3.3
148.18591	3.6
173.01901	4.1
244.60242	4.9
276.12128	3.9
319.29947	4.7
337.31058	31.1
339.29095	67.7
340.29260	8.9
381.29892	12.0
399.22922	5.9
399.31195	100.0
400.31512	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20023	4.0
57.03458	13.4
57.09945	3.7
57.38875	4.1
59.01385	100.0
69.21503	21.2
71.01382	56.8
71.05023	4.4
71.51271	4.3
73.02953	18.2
74.02500	4.8
80.73747	3.7
85.02961	15.6
87.00903	9.6
89.02451	43.3
98.22778	4.5
101.02477	32.3
107.05020	5.7
107.07553	3.8
113.02470	22.0
119.03522	24.9
143.03496	6.4
149.04623	5.3
151.11340	5.4
161.04579	28.1
163.11282	5.4
165.09225	5.1
175.11342	10.2
177.09270	8.5
177.12892	10.5
177.91623	4.3
179.05623	10.0
181.12280	4.8
191.05679	5.2
195.10321	8.2
215.45213	4.5
221.11803	4.5
239.08925	5.0
269.13922	13.4
357.15601	27.7
401.18280	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38038	0.7
55.01870	1.1
57.03452	1.2
59.01387	100.0
60.01721	1.0
61.98838	5.0
63.49561	0.7
65.99902	0.7
69.03471	3.0
71.01391	51.2
72.01720	0.9
72.99297	1.6
73.02966	1.8
73.47630	0.7
74.02503	5.4
78.95930	1.1
79.72276	0.7
83.01409	2.5
85.02966	8.1
85.44830	0.8
87.00892	1.9
87.05655	2.4
89.02455	60.6
90.02817	1.1
94.09692	0.7
95.01395	2.9
99.46182	0.7
101.02451	25.6
108.04579	3.2
113.02460	18.8
119.03516	22.3
119.04939	0.8
123.04512	1.4
124.07701	5.6
126.00011	0.7
128.55444	0.8
129.01978	5.5
131.03513	2.8
134.03792	1.1
135.04547	2.5
139.00824	0.8
143.03500	3.8
143.11922	2.8
146.03761	2.0
146.06136	1.4
149.04597	1.9
150.05630	1.0
150.09303	2.7
161.04587	3.3
161.05997	1.5
166.12378	1.8
175.04001	0.8
176.07182	1.0
176.10829	13.7
177.05568	0.9
177.11118	1.0
178.08826	1.2
179.05621	5.2
179.07195	4.4
186.12492	1.7
191.05629	1.3
194.11899	3.4
220.09732	5.1
235.08255	0.9
238.07214	1.5
238.10843	1.8
242.18884	1.0
256.52463	0.8
357.21530	5.6
400.11945	3.8
400.16959	1.1
400.21375	1.1
401.10944	2.8
401.24057	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	400.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94395	6.0
55.30583	5.0
57.03461	8.9
59.01387	100.0
63.65276	4.8
69.10477	36.5
71.01382	68.2
73.02962	24.3
74.93700	5.3
82.23103	5.2
83.01405	13.1
85.02949	27.4
87.00867	8.4
89.02452	22.0
91.73691	4.8
101.02451	63.2
113.02473	27.3
119.03515	8.6
121.02934	6.4
151.11310	5.4
153.56796	5.4
161.04561	35.6
162.04828	5.1
177.09352	4.5
213.80627	6.2
251.11392	22.6
252.11844	34.7
269.13983	17.9
302.29953	5.2
308.08395	5.4
336.81366	5.3
343.39249	6.0
357.15582	10.5
400.13318	21.9
400.17871	6.1
401.18069	70.0
401.22473	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	400.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88685	22.3
59.01376	100.0
61.98832	66.7
69.37501	79.7
69.37894	47.1
71.01389	50.0
74.52045	20.5
77.65391	23.3
79.58938	22.7
86.27918	23.4
92.64523	23.3
101.02406	27.3
105.01968	41.2
121.02979	68.9
130.22145	25.9
169.88754	23.4
171.10266	30.6
181.06624	27.1
269.00137	24.7
327.21741	29.3
399.94427	26.8
401.08847	53.0
401.21786	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.2
55.61825	2.6
57.03441	3.2
58.97677	3.0
59.01385	98.3
71.01392	34.0
71.05026	3.1
73.02960	12.7
75.72142	2.9
79.27318	2.7
83.01393	4.8
85.02980	11.0
85.75503	2.9
86.47115	3.6
89.02458	22.5
95.01411	5.2
95.05000	3.5
97.02959	5.0
98.22636	5.6
99.08174	12.2
101.02465	25.2
101.73062	2.9
107.05059	17.9
113.02459	16.3
119.03518	10.0
121.02947	5.5
122.37735	3.0
125.02470	12.3
125.06106	3.0
135.04567	8.4
135.87636	2.8
137.02499	9.3
137.09712	5.4
151.03952	3.7
151.11299	5.9
161.02454	6.9
161.04590	12.1
167.03464	6.7
175.11292	7.5
177.09261	5.7
179.03511	100.0
179.10800	4.9
180.03793	5.6
181.08676	8.9
195.10272	4.0
219.10390	4.5
221.11938	3.5
239.05710	3.6
239.09250	3.9
239.13025	4.4
289.07062	6.1
321.79572	2.8
327.69574	2.7
337.67340	2.8
351.08521	3.5
400.44669	2.6
401.13422	4.8
401.17978	17.3
419.37308	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59312	0.4
59.01390	1.0
97.73970	0.4
98.22684	1.1
104.02673	0.6
112.98775	0.5
118.42148	0.4
121.02975	6.1
133.02991	0.8
145.02963	0.5
148.01657	1.0
161.02406	0.8
162.03275	0.9
171.08177	0.7
181.06635	0.6
187.07684	0.8
188.36845	0.5
189.01970	3.3
190.02719	5.8
199.07674	3.6
201.01945	1.7
201.05582	0.8
203.03549	3.2
215.07112	1.3
216.04297	1.7
216.64117	0.5
222.01759	1.3
225.05542	0.5
227.07245	0.7
229.05154	1.0
230.05887	0.6
243.06628	52.4
244.07092	5.2
248.99547	0.4
257.02280	0.5
257.08179	6.3
258.08813	1.1
259.06116	1.3
269.21240	1.6
279.96320	0.6
301.01294	0.6
301.07248	1.1
311.12915	6.4
313.07227	2.1
313.10706	0.7
328.13168	36.6
329.13620	4.3
343.15509	100.0
344.15851	10.6
356.67047	0.6
357.13336	0.7
386.13666	0.5
401.10086	2.7
401.16064	1.9
415.05734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91960	0.5
68.72221	0.5
74.14394	0.6
81.24338	0.5
97.33571	0.6
104.02716	1.0
118.04276	1.2
121.02957	6.6
122.78544	0.5
133.02951	1.1
145.02950	2.4
148.01659	1.1
161.02458	1.0
162.03186	1.2
173.06163	0.7
176.01207	0.6
177.01927	2.6
185.06091	0.8
189.01930	10.1
190.02731	9.4
201.01926	0.9
201.05617	1.8
203.03564	0.9
204.04347	2.4
211.07585	1.2
216.04224	1.2
222.01740	1.7
224.62659	0.7
225.09267	1.5
229.05083	4.1
230.05692	1.2
241.17992	0.8
243.06703	2.0
244.07433	1.1
255.06708	2.1
267.06647	3.2
269.08191	25.4
270.08597	2.8
283.13510	0.8
298.11765	0.6
311.12881	12.1
311.16248	1.0
312.13226	1.3
313.07193	1.8
313.10825	8.0
314.07672	0.7
327.12399	2.3
328.13150	34.7
329.13498	4.6
343.15512	100.0
344.15857	12.6
371.05481	1.1
377.49799	0.6
401.11014	5.0
402.10193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67620	1.8
66.59052	1.6
67.01903	2.3
68.99845	2.1
69.03456	5.4
86.84930	1.7
88.99448	1.7
91.18063	1.7
92.02702	2.7
95.01385	4.6
105.03461	2.5
108.02180	5.5
109.02972	6.9
116.28622	1.8
117.03457	2.6
120.02167	11.6
121.02966	3.9
123.00928	8.1
124.01656	14.0
125.02487	2.6
125.79400	1.5
130.87535	1.9
131.01385	5.0
132.02205	11.3
133.02988	4.2
135.04596	3.4
137.02472	9.7
138.03262	4.3
139.00409	3.7
139.04004	11.4
147.04501	4.4
148.01724	11.3
149.02434	4.3
150.03235	3.4
151.00381	35.5
151.03989	2.9
152.01198	5.8
158.03853	1.9
159.00917	5.1
159.04442	2.2
160.01675	19.2
161.02477	13.9
162.03148	2.5
163.04015	5.9
164.04733	1.9
165.01942	6.0
166.02725	32.0
167.03340	2.6
173.02426	2.3
174.03191	2.2
175.00330	4.6
175.03996	7.3
176.01164	69.5
177.01884	9.0
179.03506	2.8
179.32022	1.9
181.05067	29.3
187.04022	5.7
189.05632	3.3
190.02774	4.2
191.03514	66.5
192.04141	7.1
194.02260	12.3
194.15167	1.7
195.02574	1.9
203.03506	10.8
204.04330	11.3
204.06036	1.6
205.05080	3.5
209.04562	23.6
212.07205	5.3
219.03151	3.0
219.06613	15.9
220.03738	5.3
220.07086	2.7
222.27684	1.7
222.43814	1.7
226.03827	5.0
235.06123	15.9
239.04695	4.4
240.05409	5.5
241.06216	3.5
253.06279	2.0
255.07814	9.7
267.04135	10.0
267.07639	5.7
269.17661	4.2
281.09277	4.1
282.06528	4.4
283.07260	8.6
293.05734	2.0
293.09201	2.1
294.06439	3.4
295.07440	8.5
309.08862	12.1
315.09882	7.2
337.08292	5.8
341.10977	2.9
342.11166	2.7
356.09061	3.8
369.10977	31.9
371.11444	13.9
372.11743	3.1
386.09903	2.6
401.13507	100.0
402.13867	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	401.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	33.9
61.07026	6.6
61.98832	26.4
62.59047	6.0
63.32471	6.0
69.25106	37.1
71.01392	21.9
72.99339	9.1
73.02959	7.5
85.02966	18.3
87.00889	65.7
89.02464	13.3
101.02457	13.2
104.98566	7.0
105.01984	31.8
107.02441	7.8
109.02985	9.2
110.50165	6.5
113.02460	12.3
127.69648	6.4
128.03590	11.1
129.84700	6.1
135.04575	25.9
151.00426	10.6
151.04202	7.9
154.41808	7.2
161.02553	8.2
162.03123	8.4
163.04094	11.0
164.04778	10.5
165.05542	8.8
175.04092	9.0
176.04823	7.2
177.05582	22.2
178.06367	8.5
179.03487	15.4
179.05756	10.0
179.07184	29.1
181.05179	9.4
182.51683	7.8
191.03651	15.8
191.05472	13.0
193.01666	7.0
209.08221	14.4
221.04573	14.8
239.05649	21.8
265.07175	59.9
277.07358	9.9
295.08331	30.9
341.10791	19.3
355.10535	12.3
401.11008	100.0
416.32120	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	401.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39752	12.6
59.01379	66.8
69.07259	80.7
71.01390	51.2
85.02979	18.4
89.02449	48.8
101.02442	20.1
163.17271	12.2
179.05643	20.1
187.57916	13.3
204.12718	12.2
341.10907	100.0
341.76797	14.4
343.40558	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
69.18417	4.1
81.79427	0.7
89.07008	0.7
101.02534	0.8
108.04561	0.9
112.83267	0.6
157.85295	0.7
160.04068	1.3
173.04724	0.7
181.14172	0.7
188.03548	1.6
198.04395	2.0
201.11365	1.3
209.07245	0.8
211.08798	0.7
211.20511	0.7
212.07481	5.4
225.04384	0.8
225.06613	0.8
226.03848	4.2
226.07283	0.9
227.04630	1.2
227.08302	2.5
238.08716	1.8
239.04471	4.2
239.08347	2.8
239.12727	0.7
240.05194	6.1
241.06212	5.2
251.08270	1.8
253.06133	3.1
254.06917	2.5
255.07745	10.4
256.08383	1.2
265.06161	1.4
265.09940	1.2
266.07709	1.4
267.04147	15.4
267.07751	6.6
268.04834	1.4
268.08456	1.9
269.09238	0.8
269.17511	1.4
277.06268	1.0
279.07889	0.9
280.04828	1.3
281.05756	2.1
281.09341	6.5
282.06476	3.9
283.07248	9.2
284.07584	1.0
291.07675	1.1
293.05762	1.7
293.09271	1.2
294.06537	2.2
295.07233	8.9
299.06769	1.5
299.10193	0.7
308.08173	0.7
309.08841	14.7
310.09280	2.0
311.07169	0.8
315.09848	4.1
325.11914	1.2
326.10028	0.8
327.09995	1.5
327.21899	1.0
337.08362	7.8
338.08789	1.0
341.11395	2.2
369.10968	29.3
370.11328	3.5
372.47076	0.8
401.13562	100.0
402.13882	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	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41925	0.8
57.03458	1.0
57.29598	0.8
59.01382	100.0
60.01719	1.0
65.97414	0.8
71.01384	5.9
71.24458	1.0
78.95882	1.3
85.02966	1.9
87.54826	0.8
89.02457	3.4
93.03482	1.3
101.02449	3.8
108.04543	1.3
109.02959	2.3
109.04882	1.2
113.02454	2.2
119.03528	1.6
120.01268	0.7
121.02939	1.5
125.02444	3.2
129.01982	1.1
135.04526	3.5
137.02457	3.6
137.06036	1.0
146.03754	19.8
147.04193	1.2
149.02435	0.8
151.03999	1.2
161.04712	1.8
161.06090	6.5
162.03209	3.4
164.04813	14.6
165.01985	1.2
165.05435	1.0
167.03552	1.1
177.05550	2.6
177.09265	1.4
179.07153	47.0
180.07487	3.0
181.05081	2.8
189.05547	1.6
203.03288	6.2
208.96138	0.9
221.04510	1.7
239.09322	1.3
251.05937	1.0
289.07129	2.7
329.05301	1.1
396.13220	1.0
401.10437	8.5
401.19244	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	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01699	1.3
62.48985	0.8
63.89537	0.7
64.08894	0.7
69.05852	5.0
71.01387	6.4
72.19301	0.7
74.02475	4.0
85.02925	1.1
87.05665	2.2
89.02459	5.1
101.02449	2.4
101.08321	0.7
113.02471	1.4
119.03455	1.5
129.10353	1.1
135.04552	3.1
143.11978	1.7
146.03754	16.8
147.04408	0.9
149.47562	0.8
161.06059	5.7
161.34607	0.8
162.03201	5.8
163.04034	1.6
164.04813	13.5
177.05560	2.5
179.07147	48.7
180.07516	3.0
186.12497	1.8
209.39259	0.9
217.58728	0.8
221.04536	1.5
239.09155	1.0
242.81256	0.8
311.46933	0.8
357.21286	4.6
401.10779	10.6
401.23962	1.8
402.11038	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	401.1457
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01883	5.9
57.03465	7.9
58.00601	1.1
59.01385	100.0
60.01716	1.0
66.03480	1.0
68.99817	0.7
69.03456	4.1
69.24131	4.8
71.01389	98.7
71.82067	0.8
72.01716	1.9
72.99312	2.6
73.02951	29.8
75.00916	1.1
75.41527	0.8
76.98600	0.7
81.03456	2.0
81.22554	0.8
83.01396	15.3
85.02959	36.5
85.08859	0.8
86.00114	1.5
87.00891	4.2
88.98807	2.3
89.02456	46.7
90.02784	1.0
93.03448	1.6
95.01393	3.2
95.98170	0.8
97.02962	6.0
98.03154	0.8
98.21836	1.3
99.00893	9.2
100.58492	1.1
101.02454	71.4
102.02798	0.9
104.03613	0.9
107.05077	1.4
111.00878	12.2
111.04580	0.8
113.02466	28.4
113.03269	1.5
115.04003	3.9
119.03489	2.4
121.02921	1.3
125.02467	6.1
129.01959	1.5
131.03520	25.0
135.04488	1.3
137.02475	0.8
139.04042	4.7
139.95216	0.8
141.01807	1.0
143.03529	5.4
149.04549	10.9
153.01933	0.9
159.03040	4.8
161.04575	31.3
162.04918	1.7
165.09198	1.1
174.65181	0.9
177.09251	1.1
191.05629	2.5
203.10846	0.9
203.12868	1.6
215.05621	1.4
221.11874	2.4
233.06654	7.1
251.09189	1.4
269.10327	49.1
270.10690	3.6
293.08655	1.9
401.14551	37.8
402.14804	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	401.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03455	3.8
59.01385	53.3
70.65657	1.6
71.01387	11.1
72.99319	3.2
73.02964	4.9
74.02459	1.8
75.00883	1.2
83.01380	1.4
83.47887	0.9
85.02959	5.5
87.00887	13.4
87.04495	1.2
89.02435	5.8
95.05035	1.8
97.06612	1.4
99.04527	1.6
101.02461	7.2
103.00373	2.0
112.98804	2.3
113.02437	4.8
113.06123	1.2
119.03539	1.5
121.06615	1.3
127.07653	2.1
135.04556	1.8
149.00931	18.2
155.10783	1.6
160.99239	1.0
161.04555	3.8
165.12857	4.7
169.08650	1.1
177.01953	1.6
178.02650	1.0
181.12405	1.9
183.10297	1.4
189.12872	1.2
199.13350	1.8
203.14456	1.9
207.13930	6.4
209.11867	7.4
223.71619	1.0
225.15054	5.0
229.50612	1.1
239.12901	2.8
251.12880	3.0
251.16716	0.9
269.13959	100.0
269.17523	26.1
270.14297	10.1
270.17935	3.3
278.08038	1.5
281.09244	1.1
282.00510	2.0
313.11737	1.4
314.22186	1.0
359.11267	1.1
387.10931	3.6
401.09665	2.3
401.13895	1.1
401.18069	3.4
401.22745	4.3
402.02554	3.5
402.13162	1.2
402.21448	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	401.1818
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01884	2.5
57.03455	3.4
59.01386	34.1
71.01391	19.5
72.99285	0.7
73.02953	5.8
83.01393	4.0
85.02962	9.6
89.02457	8.4
95.01392	1.7
97.02957	0.6
98.21883	1.0
99.00896	1.5
99.17284	0.5
101.02453	17.0
105.80671	0.5
111.00887	0.6
113.02473	6.4
119.03521	2.9
123.08186	3.0
129.01918	0.5
143.03490	0.5
161.04581	1.3
161.09727	0.8
164.04808	0.5
177.12852	5.3
195.13911	1.7
218.09843	0.6
221.11877	3.6
401.18192	100.0
402.18570	12.7
412.13437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	1.0
55.77919	0.7
57.03455	8.2
59.01389	29.9
61.98833	4.7
69.03468	1.6
71.01392	22.1
71.01790	1.2
71.24000	0.7
73.02950	10.3
75.00894	0.8
81.03465	2.7
83.01408	1.8
85.02958	10.5
87.00871	2.1
88.04021	1.6
89.02447	10.8
93.03460	3.5
93.56684	0.7
95.01382	2.1
95.12868	0.8
97.02937	1.0
101.02458	12.6
103.04024	17.0
103.69138	0.7
105.01928	1.6
105.88011	0.7
108.02187	79.7
109.02975	66.7
110.03288	2.4
113.02461	8.0
119.03512	5.6
121.02980	1.6
123.00942	1.4
123.04529	1.5
123.08183	3.7
125.02550	1.3
133.02980	3.4
135.04562	8.9
139.90930	0.8
143.03534	1.2
147.04535	1.5
147.08212	0.8
148.05231	0.9
151.03986	1.0
151.07669	8.0
152.01172	72.5
153.01964	31.3
154.02278	1.3
161.04604	4.9
161.09729	4.0
163.04037	3.4
163.07646	7.2
165.01976	1.8
165.09232	5.1
168.08041	0.8
173.09680	0.8
175.04015	1.1
177.01921	1.2
177.09225	2.8
179.03531	2.5
179.05634	1.3
179.10818	7.8
188.08473	3.9
203.10799	22.0
203.51976	0.8
204.11122	1.5
206.09579	1.4
209.02811	5.7
221.11842	37.1
222.12251	2.9
233.19807	0.8
235.08185	1.1
251.50264	0.8
253.01714	1.6
267.18372	0.9
285.19208	1.0
286.17676	0.9
295.06070	1.7
297.06326	2.3
315.07129	1.3
341.10559	0.9
371.09897	1.2
383.09802	2.2
401.10913	100.0
402.11160	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53613	1.7
57.03447	26.2
57.54472	2.0
59.01384	100.0
60.01731	2.9
60.69677	1.8
61.98830	9.1
69.33175	2.2
71.01389	44.0
73.02955	9.5
74.02484	5.8
76.26723	1.7
83.01392	2.5
85.02956	17.6
87.00882	4.0
88.04044	4.1
89.02454	28.9
93.03473	2.3
95.05064	3.9
96.00941	4.3
96.89295	1.8
98.02483	2.7
99.00896	2.7
101.02450	24.2
109.02961	5.0
113.02459	17.8
119.03492	11.2
123.04545	3.7
123.08151	9.0
131.03561	2.3
135.04512	11.0
135.19423	1.8
136.05336	3.4
137.02444	2.5
138.03313	1.9
143.03520	2.2
146.03746	8.4
151.07660	31.1
159.03056	2.8
161.04562	12.2
161.09691	7.0
163.07658	22.5
164.04782	4.0
165.09181	8.1
173.09711	2.2
177.09207	8.4
179.05684	4.8
179.07109	16.4
179.10771	20.9
182.02248	2.6
188.08418	11.7
191.05623	2.5
197.04523	3.2
201.11311	11.5
203.10797	67.4
204.11082	6.9
221.08351	3.7
221.11847	97.6
222.12193	8.2
246.37009	2.1
278.72513	2.0
286.52451	2.3
320.85257	2.0
359.16971	5.7
366.16629	8.1
402.14621	2.9
408.97668	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	401.1823
Annotation	Spionoside B
Peak:m/z	Relative Intensity
57.03448	0.6
59.01382	9.3
61.98826	1.1
70.26649	0.6
71.01387	3.8
72.99327	0.7
73.02961	1.1
74.02459	0.6
83.05032	1.0
83.44704	0.6
85.02962	2.3
89.02419	2.2
91.04015	1.7
95.01406	0.6
97.06596	1.8
97.36050	0.6
98.22701	1.6
101.02444	2.4
106.04201	0.8
107.13075	0.6
113.02444	3.7
139.07904	0.6
153.12851	1.5
171.10252	1.8
175.14870	0.8
177.12856	7.0
179.10843	0.9
195.13911	100.0
196.14253	7.5
197.11844	2.1
203.10756	1.1
208.38153	0.7
211.13403	3.5
219.13991	1.5
221.11868	2.8
229.14430	1.7
239.12900	94.7
240.13216	7.1
263.12869	3.3
269.17529	1.6
281.14029	2.4
291.19592	1.3
309.20773	0.9
313.11871	1.2
327.21820	11.3
328.22324	1.4
394.63620	0.6
401.18079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.6
61.50601	0.7
61.98838	100.0
71.01391	3.5
81.94846	0.7
89.02453	2.5
93.03468	2.3
101.02467	2.6
105.03488	2.2
109.03017	1.1
113.02423	1.5
125.02431	1.1
133.02977	4.6
135.04504	2.2
137.02475	6.7
152.04762	1.0
153.05589	1.2
161.04521	1.5
177.01941	69.9
178.02257	3.1
197.08275	0.8
223.06116	1.2
270.04974	0.9
315.07849	0.7
339.07111	6.1
342.98752	1.0
360.99786	0.9
402.13651	0.8
403.16342	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	402.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66757	15.3
58.35388	16.8
59.01376	42.1
61.98833	45.8
69.13693	100.0
91.53156	14.8
95.34695	16.9
98.21899	40.5
133.02983	42.2
134.03740	32.1
150.37515	18.9
162.03133	17.6
178.02750	26.3
179.03441	21.7
193.05057	64.8
212.07228	35.3
238.89778	20.4
346.05139	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66757	15.3
58.35388	16.8
59.01376	42.1
61.98833	45.8
69.13693	100.0
91.53156	14.8
95.34695	16.9
98.21899	40.5
133.02983	42.2
134.03740	32.1
150.37515	18.9
162.03133	17.6
178.02750	26.3
179.03441	21.7
193.05057	64.8
212.07228	35.3
238.89778	20.4
346.05139	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88042	5.0
55.01862	6.0
57.03451	6.5
59.01381	100.0
70.84405	8.7
71.01389	54.9
72.01725	8.7
73.02954	15.3
83.01395	10.1
85.02962	23.1
89.02451	43.0
93.03449	6.2
101.02453	44.9
102.02737	6.1
113.02445	20.6
119.03529	14.6
131.03525	6.0
142.32545	4.9
149.09723	6.5
149.92874	5.0
160.57524	4.9
161.04613	28.0
161.09714	16.5
162.04846	9.3
183.77231	6.4
191.05608	8.4
223.09785	10.8
236.08525	9.7
238.27861	5.9
241.10828	8.8
260.44080	5.1
270.10641	8.8
275.61282	5.3
359.17090	9.4
359.21701	5.2
402.14847	9.8
403.15652	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	402.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.09446	11.6
61.93130	11.2
70.65248	22.2
71.01396	50.7
73.02950	12.9
75.36237	13.8
83.01406	13.8
89.02447	42.1
97.02992	16.9
101.02445	31.5
109.02975	47.3
113.02490	20.0
120.79215	11.2
121.02989	17.3
123.04538	36.4
125.02416	18.8
135.04562	16.9
137.02426	26.8
139.04036	17.4
149.02429	24.6
151.04037	28.9
153.09230	11.7
161.04565	24.8
161.06020	13.1
165.01923	18.6
166.49837	10.9
169.09959	11.2
197.11829	78.2
203.07127	21.1
205.05075	27.3
241.14543	31.4
245.08170	20.4
270.28241	15.3
289.07208	53.6
327.05164	46.9
357.25595	11.4
385.09476	29.2
402.08948	13.2
403.10632	62.2
403.19385	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	402.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	26.5
69.42860	100.0
121.02945	39.9
131.80920	21.8
207.10973	22.4
299.78384	23.8
313.31909	20.7
357.73737	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	33.0
59.19297	12.4
59.34576	14.0
63.21407	12.2
69.14619	100.0
73.36652	12.8
82.22227	13.0
98.22651	25.4
121.02997	20.2
359.11920	20.4
378.02234	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84972	0.8
57.03442	2.4
59.01382	3.6
61.98840	3.8
68.99810	1.7
70.97274	1.2
72.51442	0.7
74.49052	0.8
78.95911	53.8
82.85641	0.8
83.01394	3.1
96.96041	25.6
96.96967	100.0
108.40455	0.9
109.02954	2.3
114.47538	0.8
116.92868	1.2
121.02952	1.2
123.04498	2.2
125.02471	16.0
126.19273	0.9
132.98195	2.3
136.04770	0.8
137.02464	3.3
149.02483	1.7
151.00407	5.1
151.04028	3.1
153.01949	45.9
154.02272	1.9
158.99854	1.3
161.02441	1.5
164.98686	0.9
165.01935	4.3
166.96646	1.6
182.99770	2.5
184.97737	1.5
201.00783	4.5
206.99745	12.2
208.97693	20.5
220.97716	1.4
221.98497	4.2
222.26131	1.1
222.99158	1.3
223.06097	0.8
223.96394	8.7
226.98727	1.0
235.07301	1.1
248.93030	2.0
249.00821	15.7
250.01248	1.3
250.98744	51.5
251.99101	3.4
252.96701	1.9
257.01294	2.3
258.99289	1.5
265.00317	3.5
275.02429	1.5
299.02298	1.2
305.06650	3.2
306.06903	0.8
343.01398	6.2
375.00345	2.3
381.22061	1.0
385.02310	3.0
403.03369	1.5
403.15982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14275	1.0
57.03449	3.3
58.92772	0.9
59.01385	15.1
61.98826	1.5
64.67795	1.1
69.03462	4.5
69.64756	1.2
69.65157	2.1
71.01387	8.5
71.05029	0.9
72.99324	1.3
73.02944	1.9
74.09356	0.8
81.03472	3.5
81.19148	0.8
83.01395	9.7
83.05022	2.1
85.02964	2.8
87.00880	1.1
87.66328	0.8
89.02450	7.4
93.03448	3.6
95.01407	2.7
95.05034	5.1
97.02963	20.4
99.00913	2.5
101.02454	4.5
107.05066	2.4
108.02200	1.8
109.02955	25.4
109.06588	6.6
111.04534	10.1
113.02458	4.7
115.04031	1.2
119.03515	3.5
121.02962	7.8
121.06632	1.3
122.03803	5.0
123.00916	1.0
123.04539	32.2
124.04838	1.1
125.02417	6.1
131.05069	1.5
133.02946	1.0
133.06563	1.6
135.04539	8.4
137.02460	9.6
138.03255	1.1
139.04019	6.1
143.05090	1.2
145.02972	2.1
146.03786	1.9
147.04605	1.0
147.08153	1.9
149.02470	12.3
149.06085	3.8
150.03183	2.4
151.04007	11.0
151.07693	2.5
153.05614	5.4
153.09351	1.1
155.03522	3.0
159.04509	3.2
160.05338	1.2
161.02472	6.2
161.06088	8.1
162.03224	4.1
163.00449	1.2
163.04068	4.2
164.01096	1.2
165.01988	4.6
165.05594	6.8
165.09175	2.4
167.03551	0.9
173.06027	1.3
175.04041	3.0
175.07610	1.8
177.01944	2.3
177.05539	4.0
179.03531	4.0
179.05624	0.8
179.07108	1.2
179.10732	4.4
187.04060	3.5
188.04788	3.0
189.02037	1.0
189.05595	4.9
191.07143	5.0
193.05046	1.3
195.06642	1.3
197.04637	1.0
201.05626	1.9
202.06285	1.0
203.03413	1.1
203.07144	5.5
204.04155	0.9
205.05064	15.0
205.08612	1.1
205.12311	1.0
207.06641	1.7
211.04399	0.8
213.05640	1.0
215.07201	1.4
217.05089	2.1
221.08200	3.0
223.09853	1.1
223.13490	2.2
229.05077	2.0
231.03038	2.6
239.05495	1.5
243.06580	1.1
245.08231	6.3
247.06133	5.1
249.07707	1.1
251.05579	6.4
257.08209	1.1
271.15448	0.9
273.11377	2.1
289.07272	11.6
290.07712	1.4
297.11353	4.2
299.09152	1.5
301.07193	1.2
303.08810	2.9
315.12466	3.6
317.01175	0.8
317.10352	1.0
323.09406	1.3
327.05112	10.5
335.82327	0.9
341.10275	4.3
345.06042	1.0
359.11441	7.4
367.08228	1.0
385.09308	19.8
386.09674	2.0
396.97256	1.0
403.10400	100.0
403.15744	5.8
404.10727	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	403.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.2
59.01383	10.6
61.98825	0.9
69.03451	3.5
69.31387	2.1
69.31779	1.9
71.01389	5.1
71.05034	1.9
73.02964	1.3
75.21291	0.7
76.22377	0.9
80.15466	0.8
81.03477	4.0
83.01395	9.0
83.05045	2.1
85.02965	2.3
88.83707	0.8
89.02457	4.5
93.03472	2.7
95.01386	2.1
95.05037	3.2
97.02959	16.5
99.00883	3.6
101.02446	2.8
107.05031	1.2
108.02113	0.8
109.02961	19.6
109.06606	5.6
111.04541	7.6
113.02470	2.2
115.04061	0.9
115.12516	0.7
119.03514	1.4
120.69092	0.8
121.02967	6.2
122.03754	3.4
123.00919	0.9
123.04541	30.0
123.08128	0.9
125.02477	4.2
133.02934	1.0
133.06616	1.0
135.04543	7.9
137.02449	7.7
137.06114	1.1
137.09703	0.9
139.01952	0.9
139.04015	3.7
139.07684	1.6
145.02959	1.5
146.03755	1.3
147.04500	1.3
147.08163	2.1
149.02451	10.6
149.06194	1.8
150.03183	1.8
151.04025	6.3
151.07664	2.3
153.05568	4.4
155.03484	2.4
158.48485	0.8
159.04535	2.2
161.02512	4.1
161.04712	1.7
161.06110	5.0
162.03246	3.5
162.59534	0.7
163.04073	4.0
163.07657	1.0
165.01997	1.6
165.05608	5.9
165.09238	1.7
165.23973	1.0
174.03270	1.2
175.04028	2.9
175.07639	2.8
177.01942	1.9
177.05583	3.5
177.12846	1.9
179.03554	2.2
179.10773	1.1
187.04073	2.4
187.11359	0.9
188.04778	1.6
189.05592	5.1
190.02731	1.2
191.07089	4.7
197.04536	1.3
201.05594	1.3
202.06314	1.5
203.07167	3.6
205.05074	11.9
205.12357	2.8
206.05513	0.8
215.07219	1.0
217.05074	2.1
219.06604	1.3
221.08234	1.7
223.13493	3.8
229.04929	1.9
231.02962	3.7
231.06569	1.3
241.14468	3.0
245.08176	2.8
247.06137	6.1
251.05650	5.9
261.03751	1.1
273.11307	1.5
281.06674	1.3
289.07233	4.7
297.11346	3.5
303.08768	3.1
315.02902	0.8
315.12372	2.6
317.10196	1.5
323.09555	1.3
327.05252	3.9
341.10229	4.0
342.11023	1.0
359.11249	2.9
367.08289	0.9
385.09274	15.6
386.09717	2.5
403.10355	100.0
403.19327	2.7
404.10706	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.3
57.03463	3.4
59.01385	100.0
60.01726	1.4
60.99321	1.1
61.98834	2.7
71.01392	25.9
73.02959	7.3
74.02481	2.5
75.00895	1.6
83.01387	2.5
83.05052	2.9
85.02965	9.2
86.72144	1.0
87.00912	1.4
89.02444	13.2
93.03516	1.6
95.01406	2.7
97.06564	1.5
99.00897	2.3
99.04524	1.7
99.05656	2.1
101.02440	17.2
105.93932	1.0
107.05019	7.5
109.02979	4.8
113.02451	11.0
119.03529	6.2
123.08172	2.1
128.03568	5.4
133.02998	1.3
135.04532	1.3
135.08244	1.1
141.07127	10.0
141.09213	2.2
143.03596	2.1
143.04649	6.5
151.04025	26.9
157.06606	1.2
159.03021	1.9
159.08171	4.2
160.00737	2.5
161.04605	7.6
161.09731	2.0
165.09233	1.4
166.05136	1.4
167.04684	1.2
179.10783	3.0
185.06100	10.7
191.05600	1.5
193.10303	2.7
195.08162	1.9
197.11871	1.2
203.07185	6.4
205.12315	1.4
223.13411	2.4
237.09233	2.1
239.07240	2.0
241.10846	1.5
241.14456	2.9
247.06139	26.1
248.06584	2.6
248.35262	1.0
254.07814	1.7
271.15634	1.3
272.08890	3.3
278.68018	1.0
281.08173	3.9
283.06122	1.5
288.06628	1.4
306.07684	7.9
339.09738	1.2
343.08270	5.0
383.03107	1.1
403.15778	3.4
403.20035	3.2
429.14496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1248
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
53.19388	3.2
59.01385	81.4
61.98841	19.6
71.01384	16.2
72.99293	6.7
73.02941	3.7
85.02958	4.5
89.02462	11.9
93.03467	12.1
95.01387	7.4
95.72855	3.4
101.02434	3.7
108.02184	28.8
109.56380	3.1
113.02477	4.7
119.04984	3.3
121.02964	6.1
123.00897	100.0
123.04532	13.3
124.01705	33.7
137.02463	34.7
138.03241	67.2
139.04042	79.8
148.04028	4.3
149.02463	7.5
152.01169	51.3
161.02454	4.6
161.71057	3.0
164.04779	4.1
165.01999	7.7
167.03503	85.6
168.03825	3.4
180.04285	6.5
181.05017	3.9
193.01384	21.0
208.03792	31.7
223.06122	68.6
240.06590	3.3
241.07388	7.8
258.13995	3.4
278.10355	3.3
343.10394	13.8
403.12152	24.0
410.03168	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	403.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
58.27984	1.1
59.01385	36.9
61.98830	7.4
65.34051	1.1
68.99812	1.3
69.03457	1.1
69.20796	6.9
71.01389	13.7
73.02933	1.3
78.95876	1.2
83.01379	2.5
85.02966	3.5
87.00887	1.6
89.02450	13.6
93.03469	22.6
95.01405	3.9
100.83193	1.1
101.02452	9.9
105.01938	1.7
108.02191	6.0
110.53085	1.2
111.00875	3.1
113.02430	6.8
119.03532	6.7
121.03033	1.6
121.29829	1.3
123.00880	15.1
123.04541	2.5
127.00332	2.2
133.03001	1.3
135.04533	2.6
136.98799	1.5
137.02455	74.3
138.03268	11.9
139.00417	8.4
148.01668	1.5
151.00490	1.4
152.01187	11.9
153.05576	5.1
161.02454	4.6
161.04533	1.8
165.01942	7.6
166.02701	2.4
167.03516	22.9
179.03473	2.6
180.04282	4.5
193.01425	21.7
195.06598	1.3
197.04520	1.8
203.75301	1.3
207.03053	3.4
208.03777	41.5
208.05743	2.2
209.04199	3.4
223.06123	100.0
224.06488	6.5
287.99973	1.1
306.89764	1.1
403.11884	13.9
403.16287	3.7
413.16827	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
61.98829	3.1
62.60981	0.7
63.93847	0.7
67.01892	0.8
68.99824	18.9
69.17024	5.0
70.56699	0.8
70.65224	0.6
75.91149	0.7
80.02686	0.7
81.03442	1.2
86.96648	0.8
95.01398	1.3
98.22623	1.6
101.16393	0.9
105.03445	1.7
107.01384	1.7
108.02179	30.9
109.03001	6.7
117.03506	1.6
121.02973	2.4
122.03738	4.6
123.00900	15.6
123.04539	34.0
124.04868	1.1
125.12210	0.9
132.02196	5.0
133.02982	3.3
134.03760	1.7
136.01665	1.6
138.03238	28.8
139.03514	1.0
147.04518	3.1
148.01630	1.9
149.02402	0.9
150.03233	19.2
151.03932	3.2
152.01154	0.7
153.05542	1.3
160.01637	1.3
161.02457	30.8
162.03244	38.8
163.04027	16.4
164.01112	1.0
164.04753	2.5
165.05623	1.3
167.03481	1.3
175.04005	1.7
176.04790	9.6
177.05586	58.7
178.02725	39.0
178.05986	2.7
179.03506	30.3
180.03889	1.7
191.07135	4.9
193.05072	100.0
194.05827	51.2
195.06241	2.6
205.08635	1.1
209.08195	34.5
210.08537	2.5
259.79468	0.8
263.55801	0.7
271.19092	2.3
292.53958	0.7
299.08157	0.7
312.47314	0.7
340.95526	0.9
343.11960	2.3
355.11856	5.6
373.12991	4.7
385.12946	3.9
403.14066	15.5
403.19263	1.7
404.14450	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	403.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57077	0.7
56.24114	0.8
57.03422	0.8
59.01372	3.6
61.98825	3.5
67.01888	1.1
68.99826	1.5
71.01373	1.5
73.02950	1.5
83.01389	2.0
85.02952	1.1
93.03466	1.2
95.01411	3.2
105.03516	0.8
107.05033	3.0
109.02961	2.3
111.00880	4.8
112.98824	1.6
119.05060	1.5
121.02960	2.1
123.00893	9.6
124.01663	7.7
125.02467	3.1
127.00393	3.4
133.02965	1.9
133.72420	0.8
134.03806	1.3
135.04543	5.1
136.01645	4.0
136.98801	3.1
137.02443	4.4
138.03232	14.2
138.99316	1.4
139.00386	23.5
139.04050	8.3
145.02969	2.9
146.03725	2.6
147.04539	17.7
148.01691	2.1
148.05260	1.4
149.02419	1.8
151.04047	4.9
152.01117	1.0
153.01913	3.3
153.05614	3.1
154.02711	1.7
159.04530	4.6
160.05202	1.3
161.02516	2.6
162.03290	1.5
162.06892	2.1
163.04001	4.9
165.05571	1.1
166.02699	4.4
173.02464	3.1
174.03215	3.2
175.04019	3.4
176.01132	5.7
177.01909	4.3
177.05544	3.7
178.02690	3.3
179.03394	1.0
179.06975	0.9
181.05107	1.0
185.02293	0.8
186.03250	1.2
188.04791	16.0
189.01944	1.6
189.05518	3.8
190.02751	1.8
191.03474	3.1
192.04279	1.6
193.05109	6.9
203.03511	4.1
204.04295	3.4
205.05058	1.1
214.06425	1.1
221.04532	1.5
223.06091	1.4
225.05630	1.4
226.06410	1.4
229.08788	1.4
241.05136	1.1
242.05995	0.9
253.05092	1.3
254.05887	2.4
257.08148	1.6
265.05133	1.4
269.04514	0.8
269.08170	0.9
270.05234	1.7
271.19199	1.8
277.04877	1.3
281.04633	0.9
282.05301	1.3
285.07724	2.6
293.04526	1.6
295.06082	1.5
296.06772	1.6
297.07773	1.0
298.04813	1.8
299.09198	0.9
308.06839	0.9
309.03976	0.9
309.07718	1.9
310.04907	1.0
310.08371	1.4
313.07190	10.5
313.48770	0.8
314.07553	1.6
323.09241	1.2
325.07108	4.8
327.08704	1.3
328.09531	35.8
329.10031	4.3
340.09451	3.8
341.09729	1.2
343.11871	90.5
344.12195	8.6
355.08109	1.6
355.11923	8.6
370.10477	1.2
373.09164	13.0
373.13000	19.9
374.09146	1.4
374.13354	2.2
387.10626	1.3
388.11597	18.5
389.11914	1.9
403.14001	100.0
404.14432	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	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
54.82721	0.5
55.01875	0.8
56.71602	0.5
57.03452	0.9
59.01386	76.8
60.01714	0.6
61.98835	3.4
69.03474	1.5
69.94718	1.1
69.95010	0.8
71.01384	17.8
72.99322	0.7
73.02950	4.4
81.03456	1.1
83.01405	2.0
85.02955	7.3
87.00903	2.3
89.02452	12.0
95.01412	1.6
96.96030	0.6
97.02974	0.9
98.21981	0.8
99.00912	1.9
101.02453	12.7
107.05054	1.5
109.02962	1.4
109.06612	1.5
113.02467	7.0
119.03533	3.9
119.05038	0.8
121.06611	2.9
131.03558	2.1
135.04578	0.6
137.02364	0.7
145.06631	2.7
151.04080	0.7
159.03030	0.7
161.04575	3.0
161.09740	2.5
163.07642	3.0
179.03387	0.8
179.05684	1.0
179.10765	2.7
181.08765	2.0
186.10835	0.5
191.05579	0.8
205.12425	0.9
206.76408	0.6
221.06648	1.1
222.06021	0.5
223.09975	0.6
223.13477	1.3
225.39818	0.6
241.10934	0.7
247.06335	0.6
254.52145	0.6
271.15527	0.6
312.17117	0.6
403.16122	100.0
404.16483	10.0
408.66116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1611
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03446	3.9
59.01383	100.0
60.01690	0.8
61.98824	0.9
67.05532	0.7
69.03448	0.8
69.27731	0.9
70.58085	1.4
71.01390	12.1
73.02951	2.7
83.01405	1.5
85.02947	3.5
87.00885	1.8
89.02454	12.9
95.01428	1.1
97.06602	0.8
99.04522	1.3
101.02469	7.6
109.02984	2.1
110.07358	0.7
111.60199	0.8
113.02470	5.2
119.03504	4.4
119.08685	1.1
123.04514	2.1
131.03529	1.3
133.10278	1.1
134.62190	0.8
134.67781	0.8
135.08168	1.4
137.02486	1.1
137.09715	4.5
143.03496	0.8
159.13054	0.8
161.04553	2.5
161.09703	3.5
177.01938	1.2
179.05577	1.1
179.10773	3.6
181.08723	7.4
187.71912	0.9
197.11844	42.6
198.12148	2.8
203.07199	1.9
205.05070	1.4
223.09781	3.7
241.10826	68.4
242.11079	5.2
245.08231	0.9
257.08200	0.8
283.11810	1.1
289.07346	2.1
320.17795	0.8
327.05011	2.0
343.17657	3.4
385.09390	1.5
388.11331	5.0
403.10159	2.3
403.15228	1.7
404.38257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01386	100.0
65.02953	1.8
67.83491	2.3
69.11333	3.7
69.11735	8.6
71.01388	52.1
73.02969	6.5
73.87674	1.8
74.02492	2.4
83.01405	2.6
85.02971	13.2
86.79197	2.1
87.00904	3.0
89.02453	61.1
95.01400	5.0
98.22605	5.5
99.04534	5.4
101.02455	32.1
113.02477	19.6
119.03510	22.7
124.05256	3.6
131.03674	2.1
132.04549	4.6
135.11829	8.4
143.03523	6.3
160.04095	5.0
161.04555	5.2
161.09770	2.7
179.05669	7.5
179.10815	54.1
180.11087	2.8
223.09784	97.8
224.10074	4.5
226.05025	2.6
241.10779	6.1
242.08260	52.7
271.15576	4.3
351.26996	2.4
403.11285	3.0
403.15677	4.9
403.23541	6.0
404.22803	6.9
413.44400	2.1
416.09613	2.0
425.56876	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	403.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03173	1.9
57.03451	36.1
58.03780	1.2
59.01385	100.0
61.98823	1.5
66.32959	1.1
66.33423	1.2
69.59058	4.8
71.01391	10.3
71.05015	1.7
73.02965	3.0
82.71217	1.3
83.05035	2.8
85.02972	4.2
89.02441	8.4
95.01362	1.3
97.06589	1.4
101.02454	6.1
113.02458	11.5
114.08416	1.2
119.03513	3.8
119.08643	3.2
120.88223	1.2
120.99619	1.9
123.04541	5.3
135.04550	1.4
135.08173	4.9
137.09729	17.3
147.03296	2.1
148.05228	1.8
157.06923	5.0
161.04578	2.5
163.07674	14.4
165.05498	1.3
181.08730	42.4
182.09033	2.6
197.05965	1.5
197.11774	2.3
205.08711	4.3
206.04605	11.7
206.26212	1.3
212.27057	1.3
223.09872	2.0
241.10854	3.0
283.11063	1.8
368.10025	1.9
371.08582	1.7
391.48166	1.5
403.11014	1.5
403.19479	6.0
403.24121	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	403.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75760	0.6
54.75401	0.7
55.01880	1.3
55.26615	0.6
57.03452	1.8
59.01384	100.0
60.01711	1.3
61.80033	0.5
67.71989	0.6
67.94027	0.6
69.20628	2.7
70.72596	0.7
71.01385	21.5
72.99309	0.8
73.02951	7.8
74.02473	0.9
83.01414	2.7
85.02957	9.3
87.00896	1.2
89.02455	7.7
95.01411	1.7
97.02983	0.9
99.00920	2.0
99.04528	1.8
101.02454	15.3
113.02465	10.4
119.03543	2.9
128.03580	1.7
143.03587	1.4
143.04665	2.7
143.07198	0.7
148.05312	14.4
148.06419	1.1
149.05669	0.8
153.37994	0.6
159.03041	2.1
161.04576	11.8
161.09750	1.7
163.07666	9.1
166.06418	2.7
169.08733	1.2
179.10829	1.2
181.08728	31.7
182.09033	1.8
183.39423	0.6
205.12471	1.7
210.09079	0.6
219.19426	0.6
223.13423	1.4
227.08342	0.9
241.14590	1.5
254.07959	1.4
272.08914	1.1
306.07703	3.1
310.16711	0.7
376.86526	0.7
403.19882	7.2
404.20120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	34.0
61.98822	100.0
65.53267	21.0
72.19186	19.8
77.73512	21.0
83.71796	20.7
100.02147	23.2
100.57346	19.5
293.75299	27.2
329.84991	21.2
331.32629	22.5
337.05478	23.8
364.85953	23.4
425.51718	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	403.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38644	0.5
56.41460	0.6
57.03465	1.0
59.01385	100.0
60.01724	1.1
63.13183	0.6
68.11011	0.6
71.01390	10.9
72.99328	1.5
73.02968	1.1
85.02973	1.8
87.00886	1.0
89.02448	18.5
93.03457	0.7
99.04572	1.5
101.02450	6.1
108.02764	0.6
109.02941	1.1
110.02568	0.6
113.02462	4.4
113.03072	0.5
119.03521	6.1
120.99713	0.6
123.04573	1.5
125.02509	0.9
131.03543	0.7
135.04550	0.9
137.02449	1.3
137.09769	1.1
143.03552	1.8
150.03288	0.7
151.03999	1.3
161.04565	1.4
177.01958	0.6
179.03613	0.8
179.05630	3.3
179.10675	1.3
197.11975	1.8
205.05330	0.6
223.09935	1.4
223.13449	0.6
241.10823	7.4
241.14503	0.7
271.15631	0.7
286.25476	0.6
289.07635	0.9
299.09216	0.7
317.03760	0.9
327.05054	1.1
333.82227	0.5
341.06693	0.7
343.11908	1.3
385.09460	1.0
403.10065	1.4
403.14798	1.3
403.19766	1.7
403.24026	1.3
409.21155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1977
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01880	1.8
57.03452	11.0
58.00601	2.3
59.01385	100.0
71.01390	52.7
71.01698	0.8
71.01791	1.8
71.05033	1.2
71.40714	0.9
73.02962	6.3
81.03508	1.5
83.01395	3.8
83.05018	0.9
85.02956	12.2
87.00861	2.1
89.02454	59.3
90.69828	1.0
95.01395	3.7
97.02969	1.4
97.06583	1.6
99.00884	1.8
99.04533	1.6
101.02451	29.6
109.06606	1.4
111.04508	1.6
113.02467	22.9
113.06123	1.6
119.03513	33.3
123.08171	5.5
124.05328	6.6
125.02438	1.3
131.03468	1.8
135.04535	1.4
136.05321	2.9
136.33241	1.0
139.07664	33.0
140.07942	1.9
141.09212	1.7
143.03546	3.5
143.10745	1.1
149.04515	1.8
151.07664	14.2
151.11211	1.4
153.09189	2.8
161.04579	7.9
161.09767	2.5
163.07666	2.0
163.11322	2.7
165.09207	3.2
169.08762	1.9
174.05110	0.9
175.11447	1.0
177.31972	1.1
179.05626	8.6
179.10757	12.5
193.12369	6.8
203.10773	2.0
205.12358	5.6
208.48836	0.9
211.13385	3.3
221.11810	2.7
223.13426	13.9
224.13698	1.3
241.14468	76.2
242.14799	4.8
271.15582	5.0
283.10794	1.5
403.19751	42.3
404.19983	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	403.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.2
61.98835	1.8
63.15072	0.7
70.91680	1.3
83.05068	0.7
85.18995	0.7
86.21233	0.7
87.00887	5.4
97.06618	0.7
103.00349	1.2
112.98849	5.1
114.06870	1.0
130.99911	1.0
133.02948	3.3
134.03737	2.3
135.04491	0.8
137.02455	1.6
139.11272	2.8
141.12880	2.7
149.00937	1.7
171.10265	2.5
177.01852	1.7
178.02753	4.3
179.03526	0.8
179.88803	0.8
185.11819	5.6
191.43271	0.8
253.18150	1.5
269.17627	1.9
271.19165	100.0
272.19547	8.8
301.42441	0.8
306.07489	6.9
327.21762	1.0
329.23264	3.1
337.69662	0.9
391.35626	1.0
403.14676	0.9
403.19952	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93927	15.8
59.01383	20.0
59.22234	14.5
61.98827	29.1
68.86115	15.0
69.44637	48.5
77.82423	12.7
85.00435	19.2
126.90490	100.0
132.91000	15.2
162.21796	15.3
168.65460	16.2
171.18896	16.4
294.25098	18.1
320.04462	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	403.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16206	22.5
58.50173	23.5
61.98839	77.6
64.13769	21.6
69.43618	100.0
85.00443	67.0
98.22571	52.4
121.02983	67.8
193.95187	28.1
266.92841	27.6
291.92236	30.6
329.20251	25.5
403.21344	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	403.226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00345	19.6
61.98840	63.3
68.74374	22.2
69.46800	100.0
119.01402	22.8
207.35661	22.2
383.22653	24.9
410.97733	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24203	39.7
59.01386	64.5
61.98819	100.0
68.20050	46.6
70.90005	50.0
74.52166	40.9
83.78249	42.3
96.77438	35.6
149.40408	44.0
170.88358	34.0
174.49023	38.3
201.59338	33.8
227.43318	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.7
61.85550	0.6
61.98830	1.4
65.67797	0.7
68.66783	0.7
69.16590	0.7
69.93744	1.9
72.99290	0.7
84.99332	1.4
87.00888	13.6
90.03706	0.7
103.00377	12.1
112.98073	1.6
112.98822	23.1
129.17740	0.7
130.99825	0.8
138.98106	0.8
149.00932	1.5
169.91156	0.7
183.41245	0.8
225.22217	1.5
271.22806	100.0
272.23163	10.1
329.23236	1.0
403.23581	3.8
404.24057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72445	8.0
59.01382	49.7
61.98834	100.0
69.70908	27.3
78.95910	30.0
83.69534	7.3
89.02449	16.7
93.72485	8.1
96.96975	59.5
98.22693	9.2
113.02367	9.1
113.47429	8.0
119.10160	7.7
132.75264	8.3
137.57014	9.3
144.04562	63.5
146.02472	22.8
153.01939	9.1
154.02200	8.9
158.06125	18.4
161.02423	13.9
176.07237	15.1
181.05151	12.5
181.06807	7.4
204.06688	17.5
270.53482	7.9
334.75909	7.7
341.08899	9.6
350.08508	8.2
368.09824	27.8
379.07480	7.6
405.18192	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	404.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34503	5.7
57.01355	6.6
59.01385	55.8
61.98839	93.0
64.88496	6.1
69.93495	17.9
71.01381	17.0
87.00893	6.4
89.02448	17.1
101.02417	7.2
133.02934	17.1
135.04543	12.8
137.54347	5.9
153.09259	6.1
161.02457	100.0
162.02849	6.7
163.52846	7.0
164.41489	6.2
179.03477	24.0
191.71880	6.3
216.55177	6.5
222.94766	6.3
238.86729	6.0
341.08743	35.8
404.16702	9.8
405.17709	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.69250	0.2
69.21783	1.3
86.16659	0.3
210.24315	0.3
257.03519	0.3
292.39761	0.3
365.93735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98830	1.2
70.75986	0.2
71.01391	0.3
76.75452	0.1
85.02945	0.1
92.05096	0.3
101.02452	0.1
104.36179	0.1
108.02173	0.3
108.04566	0.2
109.02957	0.7
110.27939	0.1
118.03027	0.1
118.91582	0.1
120.04539	0.3
121.02981	0.2
133.02936	0.3
133.05321	0.4
134.06140	0.6
135.04504	0.3
146.03754	0.3
147.03209	0.2
148.83115	0.1
149.02457	1.1
150.56114	0.1
153.28667	0.1
156.64474	0.1
156.84677	0.1
171.08218	0.2
172.07689	0.3
173.04878	0.2
174.05624	0.4
184.05319	0.3
186.09323	0.3
187.07664	0.3
195.03827	0.1
196.07663	0.5
197.06100	0.5
198.05388	0.2
198.07001	0.3
198.09175	0.2
199.06317	0.5
199.07829	1.8
212.03639	0.2
212.07236	0.2
213.04300	0.3
213.07915	0.4
214.08829	1.1
215.07143	0.5
223.06436	0.2
224.07172	1.3
225.07805	0.3
226.05125	3.6
227.05879	4.6
228.06265	0.4
240.06659	1.9
241.07364	0.8
242.08249	100.0
243.08566	8.3
259.04736	0.2
272.19492	0.2
273.20636	0.4
404.13486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09020	1.9
58.02984	11.1
59.01385	42.4
63.02381	1.4
68.92223	1.6
69.10146	9.2
69.10561	3.0
70.02976	3.2
71.01381	21.2
72.00924	2.4
73.02947	3.2
74.02484	27.1
81.04566	2.0
82.03004	3.6
83.01369	1.8
84.04578	2.2
85.02966	6.3
86.02474	10.7
86.06116	2.1
86.99097	2.9
87.05644	7.4
89.02454	17.8
98.21803	3.2
99.05642	27.2
101.02453	10.5
101.07192	4.6
102.05599	3.0
109.04066	2.7
112.04060	5.3
113.02492	8.0
116.09612	1.8
119.03493	5.4
123.05708	2.0
127.05119	4.4
128.03555	62.6
129.03909	1.8
135.05661	4.9
141.06693	5.0
143.04639	83.6
144.05013	2.1
145.06223	3.2
146.04610	9.7
153.06680	6.3
153.09244	1.9
160.00742	32.2
161.04637	3.8
166.09865	3.1
167.04668	6.2
167.10747	3.0
171.04082	2.0
177.03345	9.0
179.04565	13.7
181.06148	2.0
181.12314	2.4
185.05719	3.7
197.05618	3.4
198.08890	1.9
207.13905	2.3
210.08847	12.3
213.73723	1.8
225.14940	1.8
228.09882	1.6
234.02161	1.8
242.07881	3.9
243.16025	13.3
254.07828	24.3
272.08936	35.9
273.09256	4.0
288.06519	8.1
306.07690	100.0
307.07895	7.2
404.20169	2.6
405.16687	2.2
405.21890	9.1
423.59210	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	405.1403
Annotation	Ipolamiide
Peak:m/z	Relative Intensity
55.01886	2.6
57.03434	1.7
58.33179	1.3
59.01384	100.0
60.01731	1.8
61.98833	13.4
68.72532	1.5
70.70476	2.6
71.01386	41.9
72.99313	1.9
73.02959	2.1
73.24342	1.4
78.95911	1.8
80.79275	1.5
83.01373	2.8
85.02956	10.9
87.00877	1.9
89.02453	40.4
95.01405	4.0
95.66649	1.4
96.95927	1.6
96.96958	2.3
99.00900	2.8
99.92669	1.6
101.02455	31.8
103.69323	1.5
107.49374	1.5
108.02213	2.6
111.00884	2.9
113.02448	16.7
119.03513	21.6
121.02966	1.9
125.02451	5.1
133.02940	1.7
136.01672	2.2
137.02478	5.4
139.04054	4.7
143.03555	2.2
149.02478	5.5
151.03952	2.4
152.01118	3.4
153.00708	2.1
153.01944	26.5
154.02364	1.6
161.04616	1.6
165.01947	27.1
167.03506	23.9
168.04279	10.9
177.01944	67.4
178.02327	2.2
179.03462	1.9
179.05711	2.5
180.04285	21.3
181.05040	10.8
183.06635	27.2
184.06953	2.0
191.03574	1.7
192.04308	56.1
193.04594	2.9
195.03026	4.7
195.06647	23.5
202.73816	1.4
207.06641	53.8
208.06943	3.0
210.05319	11.9
217.36964	1.4
224.03285	8.0
225.07706	52.6
226.08070	2.5
228.06450	2.0
243.08736	45.5
244.09184	2.3
250.92744	1.8
256.62997	1.5
305.33301	1.4
405.13922	28.5
406.14270	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	405.1559
Annotation	Vilmorinine B
Peak:m/z	Relative Intensity
61.98830	10.8
65.89983	3.8
70.78410	4.4
70.78750	6.4
73.02950	4.5
79.24446	3.4
90.53877	5.0
91.01902	4.3
119.01394	16.1
119.05029	11.6
120.57820	3.2
121.02975	5.5
125.02445	4.9
133.02946	5.7
135.04547	11.5
147.04549	9.7
148.01706	7.1
149.02571	6.0
155.08708	4.3
157.06610	5.7
161.02483	9.1
163.04037	9.0
171.04576	7.5
171.08159	9.5
177.01945	16.7
179.03528	4.4
181.05067	21.5
184.05333	6.4
185.06055	5.0
189.09183	6.0
191.03546	17.7
193.05074	11.5
197.02463	9.3
197.06093	11.0
198.03194	7.3
199.07602	9.3
209.04620	24.8
215.07104	12.3
223.06145	49.8
225.05627	4.9
226.06464	4.9
229.05019	7.6
229.08722	12.9
245.08223	6.6
257.08145	9.8
258.08972	23.0
259.09732	10.8
291.12296	4.7
301.14340	4.7
329.13989	100.0
330.14343	14.3
333.17090	66.8
334.17465	6.8
361.16592	84.3
362.16977	9.9
377.16016	16.4
405.10547	7.0
405.15546	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1555
Annotation	Ailantinol A
Peak:m/z	Relative Intensity
57.03452	6.2
61.98849	3.3
69.25449	9.5
79.05534	2.0
89.00330	3.6
91.01888	4.9
98.22619	5.2
99.00879	2.5
100.06921	2.2
103.52272	2.2
105.07114	3.9
110.07915	2.1
119.01382	9.2
121.03014	2.9
123.04517	5.5
125.02458	3.1
147.04474	2.4
149.02438	3.8
163.11295	5.9
165.01817	2.8
177.02000	15.4
181.05098	11.3
197.06207	2.2
209.04482	4.8
211.07765	3.4
229.05084	5.8
243.65770	2.2
253.12236	2.4
255.13943	2.7
255.33966	2.1
271.09598	2.0
271.13223	2.4
285.14972	4.8
317.17450	2.6
329.13962	21.1
330.13895	2.9
333.17148	32.4
334.17407	2.9
361.16599	100.0
362.16672	13.4
377.16043	10.8
405.15567	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62565	0.8
54.04341	0.8
59.01385	5.9
61.98830	2.4
67.01888	2.2
68.99823	22.2
71.01392	2.5
71.44317	0.8
73.04081	1.9
74.02491	1.0
81.03466	1.7
86.19904	1.1
89.02473	0.9
91.01905	13.5
93.03448	0.8
95.01376	1.1
97.02942	1.2
101.02457	2.2
107.01385	1.6
107.04988	1.4
108.02181	29.2
109.02981	15.6
116.05081	1.1
117.03475	2.6
121.02974	3.0
122.03756	5.4
123.00904	19.1
123.04538	36.9
124.04894	1.5
125.02466	1.4
129.10313	1.4
130.08777	2.8
132.02147	5.1
133.02998	4.2
134.03743	1.3
135.00899	26.4
135.04482	0.9
136.01418	1.4
137.02437	1.2
138.03239	43.4
139.03572	2.0
147.04553	2.3
148.01648	1.0
149.02492	1.7
150.03230	21.7
151.03867	1.8
153.01955	27.5
153.05554	3.5
154.02333	1.1
160.01669	1.1
161.02460	20.0
161.04523	1.0
162.03239	50.1
163.04024	22.5
164.01134	2.0
164.04749	3.9
165.01891	1.1
165.05582	2.5
167.03546	1.3
175.04041	2.5
177.05582	83.5
178.02730	41.4
178.05908	4.8
179.03494	9.2
181.05087	21.6
193.05070	100.0
194.05826	41.4
195.06439	1.9
195.98019	0.9
196.07434	16.1
197.07809	1.7
199.05331	1.2
208.03874	1.2
211.09741	12.3
212.47842	1.0
225.15045	1.2
226.04860	1.1
243.06607	3.4
243.16068	1.2
273.20773	2.8
297.06183	3.6
313.58252	0.9
375.14389	3.2
376.18881	4.7
405.15518	53.6
405.21234	15.7
406.15829	6.3
406.20346	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	405.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.2
61.98827	1.7
70.25624	1.0
71.01373	1.4
73.02931	1.1
92.82816	1.0
93.03461	3.9
94.50609	1.0
101.02476	1.6
109.02969	1.1
121.02967	7.4
122.03738	11.5
123.04504	1.6
135.04427	1.3
137.02423	2.0
149.02463	40.0
150.03250	84.2
151.03935	2.4
161.02480	7.3
163.07802	1.1
164.04845	9.9
165.05586	100.0
166.05923	6.5
171.10216	1.4
176.04755	3.6
179.03494	11.5
180.04333	6.7
191.05571	1.4
194.05885	8.9
195.06641	54.9
196.06973	2.6
209.08215	19.3
301.84689	1.1
342.11111	2.7
357.13464	24.8
358.13770	3.6
390.09631	1.1
405.25180	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	405.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98838	4.2
62.02148	2.8
62.35503	3.4
71.01385	29.9
72.99303	2.7
75.00870	3.5
83.66335	3.2
85.02954	6.3
87.00909	6.0
89.02444	34.9
93.41528	2.8
95.01402	5.1
101.02428	18.7
113.02469	8.6
119.03510	9.2
135.91203	3.2
145.89194	3.0
156.04579	4.0
161.04633	4.0
182.06122	68.2
193.16028	3.9
200.07158	6.7
226.05092	10.3
256.70990	3.3
273.17120	20.2
399.14856	3.3
405.16727	6.2
405.24832	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	405.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80725	2.7
59.01079	5.3
59.01385	100.0
60.52082	2.7
61.98835	4.0
64.76138	2.9
71.01387	30.8
71.93095	2.7
73.02932	4.6
75.00880	3.1
85.02935	5.8
87.00924	5.2
89.02457	35.2
101.02465	19.3
112.98797	4.0
113.02486	16.7
119.03481	12.0
119.71970	3.0
119.72917	3.1
121.85808	3.0
135.04486	3.3
136.09863	3.0
156.04610	5.7
161.04556	3.2
173.06142	4.2
182.06126	74.3
193.16014	4.1
200.07227	7.5
201.11368	3.0
225.11383	3.7
226.05075	8.6
231.94681	3.0
243.06647	6.0
243.12218	3.5
259.49094	3.0
273.17032	12.1
286.02814	3.0
362.12012	4.7
405.17313	5.5
405.24811	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37638	0.8
57.03444	2.1
59.01385	100.0
60.01714	2.0
61.98822	2.1
64.86367	0.8
66.32778	0.9
68.79462	0.8
69.03450	3.0
71.01387	6.4
71.05017	1.6
73.02952	1.7
74.02485	1.1
85.02959	2.6
87.00890	1.0
89.02453	5.3
90.83534	0.8
95.01380	1.0
101.02440	2.6
113.02464	3.8
113.61729	0.9
119.03539	2.1
130.08701	0.9
135.04529	1.1
139.11330	5.4
145.02966	3.9
149.00856	1.8
161.04686	1.3
164.07195	1.2
164.84755	0.9
182.06133	4.4
183.10280	48.5
184.10616	2.1
185.06128	1.1
196.04059	3.9
199.03903	0.9
201.09276	1.2
225.11342	2.0
226.05081	1.7
229.08659	4.9
240.03012	1.0
243.12323	1.7
254.90775	0.9
255.05260	4.7
285.12555	1.3
311.10223	1.4
317.23740	0.9
335.75101	1.0
369.11835	1.8
388.18570	1.1
405.11136	1.3
405.21176	2.8
405.25150	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	405.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81834	0.5
57.03455	1.1
57.34507	0.6
59.01387	100.0
59.45985	0.5
60.01712	0.7
61.98831	0.9
64.04038	0.6
71.01393	8.4
73.02963	2.1
83.01414	0.9
83.90314	0.6
85.02981	1.8
87.00893	1.7
89.02460	7.8
92.81400	0.6
95.01441	0.9
101.02458	6.6
113.02462	4.3
119.03542	3.3
121.10281	1.6
122.06109	0.7
125.09750	2.1
130.08733	0.6
136.07727	1.1
139.11310	1.6
143.03575	0.9
149.00974	1.7
155.10872	1.0
157.07010	0.7
161.04572	1.1
163.11345	1.0
166.02884	0.8
172.75421	0.6
173.02386	1.2
174.03096	0.7
179.03584	0.8
179.05612	1.2
181.12375	3.3
183.10286	50.8
184.10611	2.7
196.61897	0.6
200.04845	0.7
207.10335	2.8
225.11388	3.9
225.14879	1.1
229.08795	2.1
237.11325	0.7
243.12418	7.5
243.16040	0.7
273.07690	0.7
273.17087	1.0
281.09332	1.0
285.12592	3.0
293.09348	0.9
303.13959	0.6
304.33878	0.6
311.10461	3.5
329.11514	1.3
357.13605	0.7
387.23788	1.0
405.17307	2.6
405.21353	4.3
405.26157	1.1
406.21609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63735	0.6
57.03451	1.8
59.01383	55.5
61.98836	1.4
69.50631	1.5
69.51041	2.3
70.04179	0.7
71.01389	16.6
72.99300	0.6
73.02953	6.2
75.00871	1.9
79.61069	0.7
83.01393	0.9
85.02951	4.1
87.04522	1.9
87.38680	0.8
89.02447	16.1
90.14259	0.7
95.01386	1.5
95.02137	0.6
95.05051	1.2
99.04513	1.1
101.02453	6.6
109.06604	2.0
113.02467	5.7
119.03522	5.2
121.60572	0.7
125.09721	0.8
135.08142	0.9
143.03520	0.8
153.09251	3.3
163.11293	5.0
181.12363	24.7
182.12645	1.6
201.11372	5.6
203.12927	1.6
225.11342	100.0
226.11682	6.1
231.12381	4.6
243.06746	1.2
243.12439	1.5
273.14471	0.7
299.67694	0.8
309.20514	0.9
317.19864	1.3
387.23819	2.2
405.12625	0.9
405.17670	23.4
405.24957	16.2
406.17966	2.8
406.25397	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2132
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01892	2.4
57.03445	12.6
58.00588	1.8
58.02977	5.5
59.01383	100.0
69.49261	1.7
69.49660	3.2
71.01385	56.9
72.01743	1.4
72.99303	1.0
73.02955	9.5
74.02483	10.4
75.02818	0.9
82.02982	2.8
83.01399	4.1
83.05065	2.2
84.02222	1.1
85.02953	14.3
86.02496	4.2
86.06084	1.1
87.00905	2.5
87.05648	2.8
89.02450	51.2
90.02801	1.1
95.01389	4.8
95.05029	1.2
97.02955	1.5
97.04112	2.5
97.06596	1.7
99.00890	2.8
99.05652	10.8
101.02453	41.8
101.07212	2.0
102.05585	1.0
109.04059	2.2
109.07702	1.1
112.04064	1.4
112.05287	1.3
113.02464	24.9
113.06100	1.3
119.03514	26.6
123.08179	4.1
125.03593	1.8
125.06107	1.7
127.05181	2.6
127.07711	1.4
128.03549	24.4
129.03905	2.3
129.09253	3.0
131.03539	3.0
133.06956	3.8
134.34198	0.9
135.04556	1.4
135.05663	4.0
137.09738	1.4
138.06883	2.9
141.06676	1.9
143.03543	4.7
143.04620	36.8
144.04970	3.4
145.06239	1.7
146.04602	4.8
149.00917	1.0
149.04561	2.2
149.09732	5.7
151.11363	1.3
153.06766	1.6
153.09218	8.0
159.02998	1.2
160.00746	2.0
161.04588	10.6
163.11314	3.0
166.09837	2.0
167.04663	2.0
167.08292	2.6
167.10776	8.7
170.03395	1.5
179.04613	6.3
179.05753	4.6
179.10939	1.3
180.05089	1.1
181.06209	1.2
181.12334	15.1
185.05782	1.2
197.05704	1.5
199.13457	1.5
207.13931	3.0
210.08852	8.0
225.11378	1.5
225.15001	1.2
243.16020	77.3
244.16396	4.2
254.07837	15.3
255.08191	1.3
272.08902	17.2
273.09268	2.6
277.12250	2.3
297.96191	1.0
306.07773	1.4
307.07919	5.7
308.07993	0.9
363.16681	1.3
388.15536	2.3
405.21451	58.6
406.16660	19.2
406.21744	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	405.2135
Annotation	Breyniaionoside B
Peak:m/z	Relative Intensity
55.01886	2.3
57.03449	8.2
58.00616	1.2
59.01385	100.0
60.01715	2.3
61.98843	1.8
65.08062	0.6
69.03474	1.4
69.76161	2.0
71.01388	63.3
71.05018	1.2
72.01743	0.9
72.99310	2.2
73.02951	8.3
81.03478	1.0
83.01390	3.5
83.05055	1.7
84.02232	0.5
85.02956	14.8
87.00885	4.1
89.02454	57.7
90.02799	1.0
95.01398	3.5
95.05038	1.2
97.02443	0.5
97.02966	2.9
97.06606	0.8
98.03751	2.7
99.00906	2.8
99.04525	3.6
99.08184	0.8
101.02456	32.5
102.02806	1.4
109.02938	0.6
109.06606	1.2
111.04565	1.2
111.08186	0.6
113.02467	24.3
116.92889	2.1
119.02659	1.2
119.03519	25.2
120.03874	0.9
121.06572	0.7
123.08192	3.2
125.02513	0.7
125.09741	4.1
127.07686	1.6
128.03551	1.6
129.02023	0.6
130.08728	1.1
131.03543	2.4
134.07433	0.9
135.04578	1.0
135.08246	0.7
137.09741	5.3
138.06883	3.3
141.09233	7.5
143.03511	4.9
143.04514	0.8
149.00948	2.3
149.04597	1.6
149.09729	8.4
151.11346	2.1
153.09232	7.1
155.10782	0.6
159.03058	2.4
161.02507	1.0
161.04582	13.2
162.05043	0.5
163.11372	2.0
165.09221	9.0
167.10794	16.1
168.11131	1.1
174.03357	0.6
179.05626	9.2
181.12396	1.9
183.10405	1.9
189.12871	2.7
191.05576	0.9
195.13936	2.1
205.12424	1.5
207.13940	7.3
223.13542	2.0
225.11406	2.0
225.14978	13.1
226.15341	1.0
229.05186	0.7
229.08618	0.7
241.14459	3.1
243.16039	69.2
244.16356	6.0
273.04099	0.7
273.16949	0.8
306.07822	0.6
311.10019	0.7
359.55328	0.5
405.21408	26.1
406.21640	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	405.2135
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01852	2.9
57.03418	3.9
58.00579	0.9
58.02945	3.2
59.01385	34.2
66.13935	0.7
69.03445	0.9
71.01387	29.1
73.02953	8.9
74.02480	6.2
82.03000	0.8
83.01369	3.3
83.04996	2.8
84.96649	0.7
85.02959	10.6
85.06583	1.1
86.02446	3.0
87.00874	1.6
87.05620	1.7
89.02451	13.9
89.86088	0.8
95.01347	2.2
95.05044	1.6
97.02926	1.5
97.04079	1.0
97.06577	1.6
99.00845	2.3
99.05645	5.6
99.08141	2.3
101.01825	1.1
101.02458	21.8
101.07198	1.0
102.02765	0.8
102.05604	1.2
109.04032	0.8
109.06621	1.7
111.08144	2.3
112.04002	1.0
113.02470	10.0
113.06067	1.6
119.03531	5.6
123.05573	0.7
123.08199	3.7
125.02422	0.9
127.05145	1.1
127.07637	1.2
128.03561	16.0
129.09258	5.1
133.06912	2.7
135.05640	1.8
135.08191	0.7
136.01659	1.2
137.09708	1.1
138.06908	4.3
141.06743	1.4
143.03551	1.7
143.04628	18.0
144.04973	1.9
146.04593	3.0
149.09686	2.8
151.07707	1.0
151.11259	1.4
152.08345	1.0
153.09222	10.9
157.96306	0.9
157.97525	0.8
159.02907	1.2
160.00668	1.2
161.04561	9.5
163.11282	2.8
167.08214	0.9
167.10747	3.5
179.04607	2.8
179.10745	1.4
181.12355	19.3
189.12772	1.0
199.13373	1.9
207.13866	2.0
210.08818	4.6
225.05659	1.0
243.16029	100.0
244.16415	7.1
254.07852	9.8
255.08269	1.6
272.08945	10.2
273.09116	1.0
277.12277	1.2
282.05338	2.5
297.07538	2.0
306.07724	3.5
307.07965	4.9
312.10159	2.4
327.12387	6.9
342.89270	0.9
342.95334	0.7
357.13550	2.8
388.15295	1.1
405.21414	54.4
406.16641	9.5
406.21741	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	405.2134
Annotation	Breyniaionoside B
Peak:m/z	Relative Intensity
55.01879	2.9
57.03460	6.8
58.00605	1.1
59.01386	100.0
60.01723	1.7
61.98846	1.1
68.50122	0.7
69.03471	1.3
71.01390	67.5
71.05027	1.4
72.01742	1.9
72.99342	1.4
73.02953	10.4
75.00881	1.7
77.55607	0.7
81.03484	1.7
83.01407	4.5
83.05059	1.2
85.02959	16.3
87.00883	12.2
89.02454	49.6
95.01385	4.9
95.05084	1.0
97.02954	4.2
97.06604	0.9
98.03726	3.5
99.00913	2.7
99.04539	3.8
99.05683	1.0
101.02457	35.8
109.02990	0.7
109.06632	1.3
113.02462	23.2
114.02816	0.9
115.00391	26.1
116.00765	1.0
119.03519	19.9
119.04316	1.2
123.08165	5.0
125.02509	1.0
125.09747	2.5
127.07740	1.4
128.03561	1.1
131.03517	1.7
131.66426	0.7
135.08255	1.1
137.09746	5.1
137.10661	0.8
138.06853	3.4
141.09248	9.5
143.03564	4.0
143.04619	1.4
144.05005	1.1
149.04568	0.9
149.09781	1.3
151.00917	0.8
151.07623	0.9
151.11400	2.2
153.09227	9.9
159.03040	2.5
160.89615	0.7
161.04556	14.1
163.11317	2.9
165.09238	10.2
167.10785	1.3
175.02501	71.6
176.02867	3.1
179.05621	9.5
181.12440	2.4
189.12965	2.1
193.05087	1.0
195.13966	2.7
205.12450	1.2
207.13985	5.1
208.14345	0.8
209.11992	0.7
223.13431	1.9
225.11533	0.9
225.14996	9.5
226.15511	0.8
241.14597	2.5
243.16039	74.4
244.16437	5.0
276.83679	0.7
306.08087	0.9
307.07965	1.8
405.21600	26.7
406.21835	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	405.2134
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01881	2.5
57.03460	11.9
58.00585	1.4
59.01387	100.0
60.01721	1.2
63.74107	0.6
69.03485	0.9
69.16927	1.6
69.17348	2.0
69.98345	0.5
71.01392	62.8
72.01733	0.6
72.99323	1.3
73.02963	6.8
74.02500	1.8
74.77547	0.6
78.84591	0.6
81.03477	1.4
83.01411	3.5
83.05052	1.3
85.02962	14.8
87.00903	2.5
87.04510	1.5
87.05682	0.7
89.02456	62.6
90.02805	1.0
95.01418	3.6
95.05053	0.7
95.74309	0.5
97.02910	0.6
98.21888	1.4
99.00922	1.4
99.04561	1.0
99.05626	1.0
101.02460	34.2
112.05344	2.0
113.02465	25.7
113.03258	1.3
117.07108	0.9
119.03529	23.7
122.03792	0.6
128.03587	2.6
131.03529	2.9
133.10266	4.5
134.07390	4.4
135.08179	3.8
137.09784	2.5
139.07651	4.4
143.03539	3.8
143.04668	4.4
144.05032	1.3
149.04636	2.1
149.09737	33.7
150.10094	1.4
153.09238	20.6
154.09612	1.2
159.03084	1.7
160.00819	0.8
161.04588	13.4
161.05858	0.9
167.10799	59.6
168.11119	2.9
171.10388	0.7
179.05692	5.9
207.14047	1.7
209.11865	2.9
225.11417	1.5
225.15108	3.1
243.16040	16.9
244.16389	1.0
254.07971	1.0
255.08130	1.0
272.09058	1.1
273.09305	1.2
306.07883	2.3
307.07971	3.8
308.07602	1.0
319.67789	0.7
359.17285	2.0
380.08743	0.7
405.17575	2.7
405.21939	8.8
406.22226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98885	53.9
59.01380	62.8
60.49865	64.4
61.98828	100.0
68.68292	58.5
70.63706	77.4
82.64097	56.0
86.11069	62.1
92.18596	62.4
114.53857	64.3
146.17342	70.2
177.14716	63.7
198.14201	57.3
246.74887	65.2
303.58133	67.3
416.69345	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86418	21.7
61.98813	57.5
68.46317	22.8
70.86848	27.9
75.47382	25.0
99.87794	21.8
101.74181	24.0
104.12096	24.8
141.54408	26.5
173.47388	25.6
174.26147	25.2
191.10722	24.1
200.53035	27.4
204.26837	24.3
361.27505	39.8
405.26431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	52.7
61.98833	72.0
69.40022	100.0
85.61503	24.0
186.47906	26.0
259.92059	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	405.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93633	28.6
58.07246	30.5
59.02538	29.6
59.22103	39.2
61.00650	36.1
61.87760	38.9
61.98840	43.3
70.87999	39.9
75.39305	32.7
79.22966	29.6
116.92867	100.0
211.93082	34.6
247.90399	35.5
265.14777	39.1
301.85568	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24618	23.3
58.56438	24.7
59.01375	32.3
61.36875	21.1
61.98827	71.2
69.43312	100.0
98.21868	43.3
113.38348	21.9
124.53407	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	405.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23306	21.1
69.43395	100.0
78.52333	28.4
87.00883	55.3
180.72638	25.1
287.07364	29.6
321.73666	24.2
369.15106	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03450	3.9
58.00606	1.3
59.01384	59.6
60.01723	0.4
61.98832	0.7
63.64889	0.3
68.37367	0.3
69.94656	0.6
69.95018	0.8
70.49197	0.3
71.01388	17.5
71.05044	0.8
72.99310	1.2
73.02953	5.9
75.00879	2.2
83.01404	0.8
83.05048	0.6
85.02950	4.6
85.06575	0.8
86.03314	0.4
87.00879	1.1
87.04521	6.8
89.02450	15.6
93.58058	0.3
95.01405	1.1
95.05029	1.8
96.12710	0.3
97.02936	0.4
97.06613	0.6
99.04517	2.7
101.02448	9.7
101.06091	2.1
107.05045	0.4
109.06612	1.4
111.08208	0.4
113.02454	5.6
113.06135	0.6
115.07671	1.3
119.03502	5.5
123.08202	1.1
125.06136	0.4
125.09724	3.7
127.11356	0.5
129.09239	0.4
131.03564	0.5
133.02853	0.4
135.04514	0.6
135.08183	0.8
137.09688	0.6
138.06857	0.6
138.25900	0.3
139.07637	0.6
139.11281	0.7
143.03528	0.7
143.10767	0.4
149.01004	0.4
150.03224	0.4
153.09233	3.7
153.96201	0.4
155.10789	2.2
159.10262	1.1
161.04594	1.0
161.09610	0.4
163.11320	4.4
165.05515	0.6
171.10277	16.7
173.11769	1.0
179.05641	1.1
181.12352	24.3
182.12683	1.5
183.10265	1.1
185.11839	1.3
187.09764	0.9
189.11261	0.4
191.05594	0.4
199.09839	0.5
199.13454	0.4
201.11337	18.8
202.11662	1.2
203.12897	5.6
207.10265	1.5
215.12863	4.2
221.15556	0.4
225.11334	100.0
226.11673	6.3
229.08633	0.8
231.12363	4.2
233.13940	3.3
239.12669	0.4
241.14413	0.5
243.12379	3.6
243.15988	5.6
244.16348	0.4
255.16042	0.7
269.17557	0.9
273.07675	1.0
273.17117	2.0
291.19788	1.1
363.24002	0.6
369.22806	0.4
387.23926	15.4
388.24164	1.4
405.17587	24.7
405.24866	19.1
406.17825	2.8
406.25421	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	405.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	8.9
61.24110	0.6
67.03026	0.7
73.82254	0.8
74.02486	1.1
82.02995	1.7
83.06155	2.6
84.04552	5.1
98.02514	0.6
101.07204	7.1
109.04083	11.5
109.63043	0.9
122.80563	0.7
125.03571	1.7
125.07181	3.6
125.13569	0.7
127.05147	49.3
127.14998	0.7
128.03542	11.3
128.05528	1.1
130.08696	1.0
136.53061	0.7
145.06206	49.8
146.06491	1.2
147.22621	1.0
152.99593	1.2
167.50482	0.7
233.22845	0.9
276.23294	1.2
343.27527	10.8
361.28851	2.7
387.26474	6.8
388.26508	1.0
405.27579	100.0
406.27875	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	406.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.4
57.08597	1.0
59.01396	2.9
61.98836	20.0
63.99247	2.8
66.03502	1.3
66.25745	1.2
69.03450	5.4
69.34498	5.7
71.01393	4.7
72.99320	5.1
75.00883	5.6
78.95908	2.6
81.76748	1.2
82.02982	1.7
85.02958	64.1
86.02490	1.9
86.03298	1.9
87.00912	1.2
87.04531	5.0
89.31089	1.1
92.06619	1.3
96.04562	100.0
97.02961	11.0
97.04884	2.7
98.02499	1.8
98.21743	1.6
99.00905	4.5
105.01945	64.7
111.04526	3.0
112.04067	4.0
114.01985	2.1
114.05656	1.7
115.04018	4.0
126.05611	2.6
127.04017	1.4
128.03569	8.0
128.95998	1.7
129.01947	17.0
131.04689	1.5
135.03049	1.5
140.03561	8.1
141.01958	3.9
142.01489	2.0
144.03027	1.2
158.04601	34.9
159.03023	2.3
172.02538	3.1
173.48486	1.2
184.00179	1.4
184.02577	1.4
186.96416	1.3
200.05644	10.0
200.98860	1.3
201.04056	3.3
201.99060	1.9
202.03540	6.3
202.98778	1.3
218.06778	2.1
219.05098	8.7
262.01376	2.4
262.05676	42.9
263.06100	2.4
299.96896	2.1
390.99774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86711	2.0
57.03455	2.0
59.01386	92.6
61.98836	3.1
65.45438	2.1
71.01388	42.5
71.45004	2.0
72.99311	2.2
73.02969	2.3
73.25266	1.8
85.02962	9.4
86.65933	2.0
87.00890	9.0
89.02459	49.8
95.01419	3.1
101.02448	25.4
103.00406	2.4
105.03452	2.6
112.92585	1.9
112.98822	7.1
113.02454	19.4
119.03541	15.5
127.07774	2.5
133.02972	9.6
134.03766	18.4
135.00481	2.0
135.04535	5.0
145.06592	3.5
149.00932	2.1
149.04549	3.7
155.05075	2.4
156.04578	7.6
161.04608	2.4
162.03273	2.5
173.06117	3.1
177.02013	4.1
179.05687	2.2
182.06125	100.0
183.06458	6.7
197.05630	2.0
199.04216	2.7
200.07173	7.2
226.05119	15.5
231.10278	18.3
274.17300	2.6
275.09308	43.0
348.23099	2.1
348.27725	2.0
362.12674	3.0
379.67633	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	406.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.7
58.02981	18.1
59.01384	57.4
60.01720	2.3
65.15549	1.3
69.25625	9.5
71.01390	25.6
72.01722	2.2
73.02950	5.3
74.02480	37.4
81.04598	2.0
82.03001	3.8
85.02950	6.3
86.02486	10.1
86.06104	2.0
87.00854	1.9
87.02693	1.5
87.05660	4.7
88.04079	2.2
89.02456	21.4
90.02792	2.7
95.01342	1.8
97.04068	4.6
99.05645	29.8
100.04100	1.8
101.02441	15.8
101.07217	6.1
102.02760	1.7
102.05606	4.8
107.06168	2.1
109.04089	5.7
109.07738	3.6
111.05597	3.7
112.04035	3.3
113.02489	7.8
113.03580	1.8
114.02729	1.9
119.03497	9.2
122.79157	1.4
123.05665	1.9
125.03574	2.4
127.05152	5.6
128.03554	87.3
129.03954	2.3
133.06944	17.1
135.04610	3.6
135.05658	10.7
137.07205	2.9
141.06699	4.9
143.04633	100.0
144.04993	2.4
145.06187	3.1
146.04614	11.1
149.00931	2.0
153.06746	8.4
161.02432	2.9
161.04553	6.4
166.09888	5.4
167.04617	4.4
167.08244	6.7
167.10741	2.5
170.03410	2.0
179.03334	2.5
179.04633	28.4
181.06190	3.6
184.10982	2.0
185.05692	5.4
187.07678	3.3
192.07733	3.1
197.05693	4.1
210.08861	23.8
211.09323	2.3
226.22604	1.6
228.09903	2.1
231.10225	2.0
243.15997	7.3
244.04852	1.8
244.16322	9.2
254.07834	55.6
255.08217	2.4
272.08878	50.3
273.09290	3.4
275.09296	13.1
277.12332	4.7
308.07523	5.0
388.15536	7.0
405.21112	3.2
406.16516	55.9
406.21689	13.0
407.17313	6.1
407.22739	3.9
408.12204	1.6
413.44107	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	406.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73650	0.7
55.30862	0.8
59.01383	8.7
59.52463	0.8
60.01719	1.1
61.01802	1.2
61.98834	100.0
66.75194	0.9
67.06466	0.8
67.25095	0.7
71.01390	3.4
71.44910	0.7
73.02944	1.0
81.72610	0.8
85.02962	1.8
89.02454	2.1
101.02447	1.5
109.02947	0.8
109.41746	0.8
113.02451	1.2
119.03424	0.8
121.84125	0.7
149.00940	1.9
161.04558	1.3
164.01694	0.8
173.81235	0.8
185.11859	1.1
207.10263	2.8
227.12912	0.8
298.07788	0.9
323.28918	0.8
328.12585	2.3
358.13687	1.3
376.53958	0.8
377.66232	0.9
406.05930	1.0
407.18756	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	406.2603
Annotation	Blacknidine
Peak:m/z	Relative Intensity
59.01378	4.0
61.98833	2.3
67.82462	2.1
69.37808	10.4
84.04568	7.6
98.22639	4.8
100.07700	5.3
102.04939	3.9
102.05620	78.8
128.03557	100.0
146.04597	11.0
213.14809	2.5
249.67155	2.4
261.19589	2.1
277.21768	48.2
278.21970	5.8
362.27148	14.3
363.27353	2.3
388.25150	12.5
406.26041	86.2
407.26538	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	407.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54491	4.3
59.01388	54.9
61.98849	14.7
69.03448	5.6
71.01370	23.1
72.26059	4.4
78.95937	5.3
81.40277	4.6
81.97691	5.3
87.00882	6.1
88.57813	4.8
89.02457	31.2
96.96954	8.5
101.02473	12.1
113.02485	16.1
119.03553	14.2
119.05044	27.2
147.04541	9.8
179.05609	12.4
185.02249	18.7
191.03525	100.0
191.05130	9.4
293.08820	32.4
328.60239	5.3
371.09814	10.9
407.07309	9.3
431.51474	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	407.0777
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
59.01390	4.5
61.98820	0.4
70.73580	0.6
71.01373	0.8
73.02953	0.7
81.03443	0.4
83.01405	0.5
93.03458	0.4
95.05000	0.5
95.73945	0.3
101.02463	0.4
103.05575	0.6
107.01347	0.4
108.02177	0.6
109.02970	4.9
113.02438	0.6
119.71015	0.3
121.02997	0.4
122.03715	0.6
122.25574	0.3
123.04550	5.4
125.02474	0.6
127.05486	0.3
133.02942	0.3
134.03732	0.7
137.02441	0.4
141.07114	1.5
143.05014	0.5
149.02487	0.5
150.03212	0.8
151.00336	0.3
151.04047	2.4
151.63403	0.3
157.06644	0.4
159.04472	0.5
162.03392	0.3
165.05516	0.5
165.09216	0.6
171.04520	0.8
173.08199	0.3
175.03992	1.7
177.01883	0.5
183.04539	1.0
185.06096	0.4
185.11862	2.6
187.04005	0.4
188.86707	0.3
195.06726	0.5
196.05362	0.4
198.03255	0.7
199.03996	3.7
200.04637	0.4
201.01956	0.5
209.08229	4.6
210.03311	0.3
211.03981	1.9
212.04774	0.4
213.02055	0.6
213.05611	6.0
214.02762	3.5
214.05870	0.4
215.03438	0.7
225.05611	1.1
226.02730	1.0
227.03513	18.3
228.04271	8.9
229.04906	1.0
229.63094	0.4
231.02921	0.4
240.04260	0.4
241.05064	0.9
242.02229	1.8
243.02998	14.5
244.03284	0.5
254.02275	0.4
255.03014	68.5
256.03732	23.1
257.04550	12.6
258.04895	1.0
267.02982	0.8
269.04584	7.9
270.04892	0.8
275.09366	0.6
281.04581	0.4
282.01746	3.5
283.02490	9.1
284.03189	2.2
285.04080	14.3
286.04388	1.4
289.10626	0.3
297.04108	5.9
298.04471	0.5
299.05838	0.4
321.08127	0.4
361.07193	0.4
363.08838	0.4
371.13605	0.6
389.06790	2.0
406.28912	0.4
407.07770	100.0
408.08078	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	407.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.0
61.98819	2.5
70.68054	1.5
71.01363	1.6
72.99239	1.3
76.35332	1.0
87.00887	11.7
89.03980	10.3
97.06616	1.3
103.00390	4.2
112.98820	14.6
117.03481	40.9
118.03818	1.4
125.92937	1.0
133.02980	6.6
134.03757	29.7
135.04549	29.4
136.04868	2.0
137.02409	2.7
145.02928	1.2
149.00919	3.6
161.02452	4.2
162.03258	13.8
162.29509	1.0
177.01955	7.3
178.02744	16.7
179.03230	1.1
231.10284	4.1
275.09277	100.0
276.09592	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	15.5
72.99314	2.1
77.86318	1.3
87.00880	13.0
93.65251	1.4
95.05049	2.4
97.06601	7.1
99.12502	1.4
103.00397	5.4
105.03478	4.8
106.04259	1.4
109.02962	3.3
112.98830	13.6
120.99673	2.2
122.03741	1.6
130.99854	2.7
133.02974	41.3
134.03766	95.2
135.04160	4.2
137.02467	5.9
139.04047	3.4
149.00996	1.9
151.04079	1.8
161.02443	1.6
177.01947	25.9
178.02730	35.9
179.03346	4.6
192.23798	1.7
199.43161	1.4
231.10336	3.0
275.09299	100.0
276.09564	5.7
310.03421	1.7
327.11206	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	407.11
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11632	17.9
61.98830	100.0
70.82192	36.4
80.29790	22.2
156.77034	20.8
162.83922	60.6
164.83682	28.4
172.95670	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82345	0.8
52.46168	0.8
59.01377	3.5
61.98818	1.0
67.12917	0.8
71.01388	1.0
71.41354	1.1
77.40552	0.9
81.03456	2.5
83.01391	0.9
98.95512	0.8
101.02441	0.9
104.42223	0.8
122.03753	0.9
123.08170	1.2
125.02465	5.2
125.06078	3.0
129.35172	0.7
135.04474	0.8
137.02458	0.9
149.02415	1.4
151.00372	1.7
161.02452	1.7
162.03282	0.9
165.09210	18.3
166.09576	1.2
190.02740	1.3
201.09245	1.1
209.08200	100.0
210.08522	5.7
245.08171	2.4
255.02925	1.9
256.03595	1.4
270.59067	1.0
275.09180	1.6
371.13565	11.8
407.07529	3.6
407.12643	1.4
407.17203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.3
55.82658	1.1
57.03453	13.6
59.01383	8.7
61.38415	1.4
61.95393	1.2
69.03459	6.4
69.72514	5.1
71.01388	5.3
85.02964	7.8
87.04531	12.3
89.02465	3.7
95.01407	1.6
98.21938	2.3
101.02470	2.0
113.02457	13.7
119.03487	2.0
130.08751	23.6
131.03517	100.0
131.09099	9.4
132.03862	2.5
179.05779	1.5
293.08862	8.6
342.21542	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	407.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58020	1.3
51.50100	1.7
53.55622	1.4
57.03454	10.1
58.00614	2.2
59.01386	10.7
69.03473	8.3
69.43120	7.8
69.44587	1.5
70.02985	4.8
71.01395	3.9
85.02954	7.4
85.89716	1.5
87.04530	16.0
89.02454	3.4
95.02511	2.6
113.02482	15.5
113.03584	15.2
114.01975	13.3
119.03529	2.1
130.08765	4.3
131.03516	100.0
131.04625	41.1
132.03876	2.8
132.06628	1.7
132.09241	1.5
218.41725	1.7
262.93176	1.8
293.08807	6.8
346.80292	2.0
423.85962	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	407.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.4
58.23872	1.0
59.01385	68.4
60.01721	1.2
66.63506	1.1
67.18980	1.1
69.03466	13.5
71.01388	32.7
72.99300	1.9
73.02959	2.3
74.46494	1.1
83.01385	3.6
85.02962	8.6
86.25304	1.1
87.00880	8.3
87.04523	4.3
89.02455	35.4
95.01395	2.4
95.17937	1.0
101.02454	23.3
113.02460	38.9
113.03262	2.0
113.62766	1.1
115.04019	1.5
119.03513	16.5
130.02727	1.5
131.03514	16.0
133.05087	3.2
240.42532	1.1
275.07886	2.2
281.02090	1.1
293.08813	100.0
294.09079	6.3
407.11887	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	407.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.0
59.01376	7.3
64.21655	1.3
69.03465	7.3
70.02979	3.8
71.01390	6.3
72.00863	1.3
72.72120	1.5
85.02950	8.1
87.04499	15.1
89.02459	5.4
95.02522	3.7
99.22356	1.3
101.02451	2.2
113.02467	15.0
113.03591	18.3
114.01990	13.4
114.05620	3.8
123.28767	1.3
125.04276	1.3
130.08714	4.5
131.03496	100.0
131.04613	49.0
132.03854	2.4
132.04904	1.8
132.06578	1.8
134.55809	1.3
238.98309	1.4
293.08804	11.5
368.77554	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	407.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
69.77193	0.7
77.82035	0.2
79.63968	0.2
82.77593	0.2
93.25118	0.2
96.96022	0.4
98.22594	0.3
111.38396	0.2
132.02190	1.7
143.02197	0.2
157.06590	0.8
158.07396	1.4
171.04460	0.2
172.08955	1.8
173.09673	0.4
185.06137	0.4
186.06876	1.7
190.02788	0.4
201.05589	1.0
201.09282	0.4
202.06288	0.8
212.04799	0.4
213.05626	0.8
215.03517	1.3
229.05017	1.2
230.05852	17.9
231.06158	1.3
244.07460	2.8
245.08195	100.0
246.08545	7.1
288.80417	0.2
377.97998	0.2
407.13483	26.7
408.13785	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.9
69.58683	1.5
71.01377	1.4
72.99296	0.6
73.02975	0.5
78.95908	0.7
80.96558	0.4
84.57892	0.4
85.02957	0.7
86.05235	0.4
87.00887	1.9
96.96014	0.5
101.02448	0.7
103.00369	0.9
105.03476	0.7
112.98828	1.4
113.02450	0.5
118.04267	1.5
132.02179	3.4
133.02942	1.0
134.03751	5.7
135.04485	0.9
137.02455	0.4
145.02933	0.6
158.03722	0.9
161.02438	1.8
161.04512	0.5
162.03250	6.1
163.03709	0.4
173.09766	0.9
175.04036	0.6
176.01199	0.6
178.02666	0.7
189.01949	0.6
190.02740	15.4
191.03017	0.8
201.01932	1.3
201.09236	1.6
202.02771	0.8
206.05759	0.4
217.08714	0.6
222.01741	2.2
229.04977	1.2
230.05823	3.2
231.06158	0.4
231.10339	0.7
243.06613	0.6
244.07350	1.2
245.08194	100.0
246.08553	7.6
258.81815	0.5
269.35397	0.5
275.09250	9.1
276.09344	0.6
293.08691	0.5
407.13449	19.6
408.13818	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	407.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10742	0.1
89.03957	0.3
90.49968	0.1
98.22650	0.2
107.51508	0.1
107.66305	0.2
116.99374	0.1
117.03417	0.2
118.04258	2.2
134.03731	0.7
146.03740	0.2
148.01665	0.6
157.85211	0.2
161.02440	1.5
162.03230	2.2
173.02403	0.2
174.03203	0.5
176.01163	2.3
177.01639	0.2
189.01941	2.7
190.02724	25.1
191.03067	1.2
201.01942	3.4
202.02716	3.5
203.03052	0.2
204.00642	0.3
205.01421	0.5
213.05611	0.3
214.02754	0.2
215.03546	0.2
222.01649	1.2
229.05026	1.3
230.05817	1.9
245.08195	100.0
246.08542	8.3
261.93350	0.2
407.13309	1.2
408.13651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	56.3
61.98834	2.3
69.08938	2.1
69.09341	5.6
71.01388	12.2
73.02934	3.3
83.01429	0.8
85.02959	4.0
88.12266	1.0
89.02448	10.0
93.03465	2.1
101.02445	8.5
105.03494	1.8
108.02179	1.9
109.02988	1.0
113.02462	4.6
115.07669	2.6
119.03492	4.6
121.02937	8.5
122.03736	7.1
123.04561	4.6
125.02473	2.6
134.03761	22.4
135.04576	1.3
136.01675	56.7
137.01991	1.8
137.56848	1.0
149.02467	13.4
149.06097	20.1
150.03235	40.2
150.06400	1.2
151.04021	100.0
152.04352	4.2
158.65915	0.9
159.02988	1.4
161.02502	1.4
161.04597	4.9
161.05930	0.8
164.04831	3.3
165.05582	39.5
178.02821	1.7
179.03540	1.0
179.05592	2.6
180.04291	2.4
181.05090	10.0
185.11882	3.1
193.05093	4.5
195.06644	19.9
209.04517	1.8
210.05330	0.9
211.04245	1.1
211.06140	4.3
223.03911	1.1
227.03482	3.2
227.12897	1.4
228.04237	1.4
236.04797	2.6
241.05103	2.6
243.03006	1.6
252.04324	4.3
253.04973	1.6
255.03024	8.5
255.06664	3.8
256.03769	5.5
256.07394	1.2
257.04437	1.6
267.06485	1.5
269.04584	2.4
281.04666	0.9
284.07007	5.6
285.04092	2.3
285.07477	1.3
299.09229	16.1
300.09729	1.7
341.10309	4.3
347.17020	2.7
359.07529	1.5
359.11392	13.9
360.11795	1.8
407.07764	15.3
407.13452	26.2
407.19022	8.7
408.07980	2.5
408.13803	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	407.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93981	1.3
59.01385	82.1
60.99281	1.3
61.98835	3.6
68.99794	1.4
71.01390	14.2
73.02957	4.0
83.01381	2.6
85.02956	4.4
87.00902	2.9
89.02467	14.2
90.78627	1.4
93.03445	2.6
101.02442	10.4
108.02182	2.5
109.02997	2.0
113.02452	7.0
119.03539	6.7
121.03003	6.8
122.03757	5.6
123.04544	5.7
125.02465	3.1
133.03026	1.7
134.03763	24.4
135.04550	4.1
136.01682	63.1
137.01990	3.9
143.03568	2.5
149.02487	14.7
149.06094	22.6
150.03247	44.5
151.04034	100.0
152.04376	3.9
161.02507	3.3
161.04601	7.5
164.04808	3.0
165.05594	40.5
179.03578	2.1
179.05653	2.4
180.04337	1.9
181.05066	9.7
185.11838	2.3
187.03880	1.3
193.05089	5.8
195.06648	18.5
199.03978	1.7
208.05138	1.5
209.04623	3.0
211.04153	2.8
211.06108	3.5
213.05554	1.6
223.03896	2.1
225.05592	2.6
227.03516	5.4
227.12964	2.9
228.04428	3.0
236.04877	2.5
241.05109	3.4
243.03008	3.9
252.04318	4.1
255.02982	21.0
255.06580	3.8
256.03790	8.6
257.04395	4.2
267.06570	2.5
269.04749	3.7
281.04654	2.4
283.02524	2.1
284.06799	6.7
285.04065	3.9
297.04196	1.8
299.09265	18.3
341.10242	3.8
344.43481	1.8
347.17053	5.2
359.11426	13.3
378.11041	1.5
389.12430	1.6
397.62643	1.3
407.07681	45.4
407.13440	35.2
407.19022	12.4
408.07990	5.8
408.13745	4.0
431.38934	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	407.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.9
66.27581	4.7
69.13473	8.9
69.13869	22.2
87.00882	11.2
105.03468	7.0
112.98827	13.1
121.03009	10.8
121.60024	4.7
122.03763	15.5
133.02953	12.2
134.03786	28.6
135.04567	7.0
149.02458	76.4
150.03264	77.0
162.03252	13.9
164.04802	15.3
165.05595	100.0
166.05876	6.0
177.01910	6.9
180.04286	7.5
181.05110	7.2
195.06659	61.6
211.09554	5.8
231.10210	28.1
275.09317	77.9
290.60049	5.0
344.12637	16.8
359.14963	64.0
360.15219	9.6
407.18451	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	407.18
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53256	1.1
58.02973	2.5
59.01381	3.4
61.98833	65.1
69.54625	2.1
69.55003	3.1
93.67520	1.0
128.10835	7.1
130.08755	100.0
131.09103	3.0
132.19350	1.0
154.65434	1.0
165.12895	1.6
249.11157	1.8
257.04712	0.9
283.09042	1.0
291.99905	1.0
322.20239	44.0
323.20633	5.5
346.46674	1.0
407.17935	23.9
408.18237	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	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	1.5
69.15084	7.6
71.01384	9.7
72.99341	1.7
73.02955	1.3
75.00877	1.5
82.06480	1.0
83.01409	2.0
85.02971	2.2
87.00877	5.4
89.02456	5.6
93.03502	1.5
101.02452	6.0
101.06039	1.0
103.00419	2.9
105.03488	2.0
109.02982	1.2
112.98816	5.2
113.02496	4.2
119.03549	2.9
121.02953	14.8
133.03011	7.4
134.03767	9.0
135.04550	4.9
148.04066	4.2
149.00919	8.5
150.26628	1.2
165.01935	6.9
165.12883	1.9
167.10797	1.4
171.10254	5.7
174.15248	1.1
177.01939	2.4
178.02704	2.2
179.03514	2.9
180.04277	3.1
183.13921	1.8
185.11838	51.2
186.12190	2.1
187.07674	1.4
191.05400	1.1
195.06659	6.0
209.11899	3.3
213.09254	4.4
215.45262	1.1
225.07695	5.6
227.12978	6.8
231.10246	12.4
232.10753	1.8
245.14333	1.0
257.20779	1.1
275.09262	23.0
276.09686	1.4
293.69995	1.3
359.15359	1.5
365.17892	1.4
407.19229	14.9
407.24353	1.6
408.19461	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	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87389	0.7
55.01906	1.2
57.03440	1.3
58.00626	0.8
58.14148	0.7
59.01387	100.0
60.01728	1.9
61.98831	2.2
69.03464	1.4
70.52673	0.7
70.56890	0.7
71.01392	25.0
71.05038	1.4
71.43417	0.8
71.76325	0.9
72.99340	1.2
73.02952	6.1
83.01400	2.4
85.02957	6.2
85.03325	0.6
85.06593	1.0
87.00892	12.1
87.01402	1.1
88.04034	0.8
89.02456	12.5
95.01406	1.2
97.06614	3.0
99.00903	2.3
101.02455	13.6
102.02771	1.0
110.69402	0.8
112.57578	0.7
112.98807	1.2
113.02468	11.9
113.50820	0.7
115.00389	21.5
115.04091	0.8
115.07665	15.1
115.08412	1.1
116.05090	1.7
116.33458	0.7
117.03461	0.7
118.04262	1.1
119.03536	5.5
119.05046	8.6
120.05348	0.9
131.03539	1.7
133.02975	1.6
135.02977	0.8
135.04558	1.6
143.03519	1.9
149.00978	1.3
150.03268	1.8
158.06137	1.8
159.03056	0.9
160.04153	1.2
161.02524	1.4
161.04572	15.4
163.04042	2.3
165.05557	1.3
166.28448	0.6
167.10683	1.1
175.02501	59.2
176.02873	3.2
179.03503	1.6
179.05678	1.7
185.02220	13.8
185.11855	10.2
187.07697	2.0
193.05196	1.6
195.06755	0.9
212.94418	0.7
231.10385	1.5
233.10339	0.8
245.16689	1.1
275.09372	7.0
278.82895	1.1
293.08868	8.7
327.31955	0.7
343.62903	0.7
347.06519	0.8
347.17154	7.1
369.77948	0.8
407.19348	2.5
408.22556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.30653	1.4
60.48066	1.4
70.02252	3.8
78.95910	100.0
90.86411	1.6
96.20684	1.8
96.96965	10.1
112.64436	1.7
152.99600	88.3
158.20602	1.7
171.00652	63.0
236.29909	1.8
325.18524	3.6
407.22049	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	407.257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66401	11.9
69.64492	49.4
72.99304	11.3
76.39242	10.8
81.07384	12.2
88.00466	11.9
88.98823	100.0
89.02449	78.4
95.05004	12.2
98.22575	19.3
117.75484	13.1
128.90042	27.0
136.46867	12.5
317.20999	53.7
323.03864	13.5
407.12772	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	14.4
67.79876	13.0
69.36325	13.6
70.32687	22.5
78.95905	15.4
84.31009	10.5
84.46608	12.2
88.98819	64.0
89.02454	100.0
95.05040	13.1
102.05639	20.6
120.01279	11.6
128.90121	22.6
152.99564	21.6
317.21002	40.7
323.78790	11.1
362.77594	15.0
369.15134	19.0
372.15579	17.3
407.12521	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73257	0.5
57.03450	13.5
59.01381	3.1
69.59920	1.6
71.01398	1.3
83.01406	1.3
89.02496	0.7
109.02970	1.1
120.01254	0.9
121.02983	1.8
122.03738	1.6
123.04529	1.1
125.02457	100.0
126.02827	3.3
133.02969	2.3
136.01529	0.6
137.02448	1.9
139.04019	1.2
148.12320	0.6
149.02458	3.3
150.03246	10.3
151.04004	1.0
160.04018	1.2
161.02461	23.9
162.03029	2.0
164.01143	4.9
165.01945	2.8
165.05588	13.5
168.99678	0.9
180.04337	0.7
183.04401	0.6
187.09747	1.3
187.47691	0.6
195.06650	4.6
203.28046	0.5
211.04054	0.6
212.04512	0.8
225.05544	0.6
228.03932	1.1
233.81369	0.6
243.06721	0.7
244.03415	0.7
255.03084	2.5
256.03394	4.6
257.04138	2.5
269.04532	2.0
283.02383	1.1
286.04358	0.8
287.05637	7.6
378.81830	0.6
408.08142	12.2
408.13593	0.9
408.19235	0.8
409.08472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49883	1.1
59.01383	13.2
60.01712	3.1
61.01814	1.7
61.98837	100.0
64.40384	1.0
71.01395	2.4
85.02955	2.1
89.02442	2.0
96.96027	2.7
115.30537	1.3
135.04533	2.2
149.02403	1.2
151.04150	1.3
161.04541	1.4
169.15089	1.2
179.03500	1.9
183.10266	2.7
184.10623	3.2
184.97699	1.1
185.10774	1.9
186.11073	2.6
206.17833	1.1
229.08730	1.8
236.72832	1.1
247.09738	1.4
255.02788	1.3
256.03372	1.1
257.04208	1.3
261.08578	1.2
370.28146	1.2
408.08282	3.3
408.19278	1.5
409.15106	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	408.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23922	4.1
59.01385	48.6
61.01816	7.3
61.98835	100.0
69.50896	20.1
71.01378	5.5
85.02961	6.6
85.26744	4.4
86.15675	4.3
89.02435	6.3
96.96007	4.9
98.21805	5.0
99.08189	4.7
119.64318	4.7
132.05840	5.3
135.04520	9.7
160.35464	4.9
169.01366	4.7
173.09769	8.4
175.04036	4.9
183.10310	12.3
184.10649	8.3
185.09624	7.9
186.11122	6.3
229.08598	4.7
247.09779	34.5
280.36575	5.2
408.08401	22.3
408.13000	6.7
409.14853	10.8
409.19901	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	408.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64306	1.4
59.01385	11.8
60.01709	1.7
61.01797	1.9
61.98836	100.0
65.66367	1.4
68.70621	1.8
69.08190	9.7
70.97508	1.5
71.01365	3.1
71.32381	1.3
98.22604	4.1
101.02474	1.7
183.10260	3.5
184.10660	3.3
185.10892	2.3
186.11107	2.2
201.76625	1.6
229.08760	2.4
289.35312	1.7
289.62131	1.5
409.15143	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	408.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23922	4.1
59.01385	48.6
61.01816	7.3
61.98835	100.0
69.50896	20.1
71.01378	5.5
85.02961	6.6
85.26744	4.4
86.15675	4.3
89.02435	6.3
96.96007	4.9
98.21805	5.0
99.08189	4.7
119.64318	4.7
132.05840	5.3
135.04520	9.7
160.35464	4.9
169.01366	4.7
173.09769	8.4
175.04036	4.9
183.10310	12.3
184.10649	8.3
185.09624	7.9
186.11122	6.3
229.08598	4.7
247.09779	34.5
280.36575	5.2
408.08401	22.3
408.13000	6.7
409.14853	10.8
409.19901	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	409.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	11.0
59.01380	9.8
61.98819	0.6
64.00045	0.5
71.01388	2.4
71.88129	0.5
73.02946	0.8
81.03466	0.5
83.01397	2.1
85.02962	1.3
89.02444	1.3
95.01378	0.6
98.22628	1.1
101.02451	2.1
109.02951	2.1
113.02448	0.8
114.98602	0.9
119.03491	0.8
120.02189	0.6
120.35708	0.5
120.99664	20.8
121.02953	1.7
123.00860	0.4
123.04506	0.5
125.02454	100.0
126.02779	3.3
133.02954	2.6
135.04556	0.7
137.02470	2.6
139.04074	0.8
141.00212	0.6
147.77162	0.5
149.02443	1.7
150.03229	1.3
151.03969	0.7
155.98901	1.9
159.04567	0.6
161.02457	25.5
161.04633	1.2
162.03029	1.6
164.01149	4.7
165.01947	3.1
165.05582	1.3
168.99648	2.3
177.05592	0.5
179.03497	0.5
183.04590	0.4
190.02797	0.9
195.06660	1.0
199.03871	0.6
201.05528	0.6
203.03584	0.5
203.07156	0.5
205.04968	0.6
219.06641	0.6
219.58090	0.5
225.05592	0.7
243.06705	1.0
245.04506	0.6
247.06087	2.9
247.09871	0.8
269.04572	1.2
287.05640	9.5
289.07245	1.6
321.04413	16.2
322.04807	1.9
349.18832	1.4
361.56146	0.5
403.98688	0.5
409.05908	2.6
409.15417	1.9
409.20157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91845	2.1
59.01378	13.3
59.72675	1.9
61.98842	3.1
69.75725	6.3
71.01384	7.2
71.05032	3.8
78.95890	3.3
80.91693	2.5
85.02961	3.2
87.00879	2.2
89.02445	7.7
89.37615	2.0
93.03469	2.2
96.96963	3.5
99.00888	3.9
101.02435	3.4
105.01928	2.9
108.00046	1.9
108.02179	2.3
109.02940	3.8
113.02438	5.2
115.04026	22.9
119.03532	3.1
121.02935	2.4
122.03799	2.5
123.04517	3.0
125.02457	3.6
131.03473	2.5
134.04755	2.6
135.04503	3.7
141.00369	2.5
148.01659	19.6
149.02414	6.0
150.03255	16.4
153.05580	21.7
161.04620	2.7
163.04047	29.9
165.05588	18.5
179.05612	3.4
181.05078	41.5
185.75708	2.1
186.84229	2.1
188.22548	2.1
190.31236	1.9
195.06650	4.1
211.06137	100.0
212.06448	6.7
230.03024	4.7
268.90454	1.9
293.08762	3.1
350.07321	11.2
361.13095	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	409.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35326	1.5
59.01388	30.0
61.80309	1.4
61.98843	1.8
69.03438	1.4
70.14046	1.7
70.14399	4.2
71.01391	19.8
73.02959	3.0
74.00336	1.4
83.01391	2.1
85.02982	7.7
86.78048	1.6
87.00885	2.1
89.02456	12.7
92.12406	1.4
93.08042	1.4
97.02953	1.5
98.22549	1.6
99.00855	2.5
101.02449	11.8
107.05038	2.8
113.02462	6.5
115.03975	2.1
116.92851	2.0
119.03495	5.3
121.02963	2.3
123.04482	1.9
125.02427	1.5
131.03561	1.9
133.02975	100.0
134.03339	3.2
143.03566	1.9
149.04578	2.0
151.04028	18.5
152.04312	2.0
159.08186	2.6
161.04593	4.0
165.05531	1.5
179.05591	2.4
187.03824	4.3
191.05617	1.8
203.07211	4.3
235.11856	2.0
247.06160	7.2
277.12845	1.8
409.11740	2.5
409.16702	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99779	1.1
59.01381	3.8
60.01986	1.1
73.49372	1.2
83.01424	1.1
93.03482	1.9
106.04256	2.4
107.05063	2.2
109.02964	4.7
111.01020	1.2
115.00369	1.7
121.02997	5.3
128.59572	1.3
133.02980	41.0
134.03766	54.4
135.04552	91.2
136.04890	3.0
137.02467	22.4
139.04022	8.3
150.03249	2.5
151.03998	1.3
159.04489	1.6
161.02470	7.3
165.01927	1.4
177.01929	1.4
178.02747	30.8
179.03526	100.0
180.03873	4.8
185.06172	1.6
225.09264	1.8
227.09972	1.3
229.05135	10.0
247.06213	1.7
260.42410	1.5
269.08167	6.3
297.14908	1.9
313.07397	1.6
315.16061	5.8
321.11346	3.2
349.00583	1.3
365.10217	2.4
365.14096	1.8
409.08722	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	409.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61499	1.3
52.99166	1.3
53.08713	1.5
56.67833	1.3
59.01391	2.0
71.41762	1.4
80.96542	1.6
87.51658	1.4
93.03409	1.5
96.96027	2.4
107.84849	1.3
108.22466	1.3
109.36866	1.3
114.01003	1.2
117.02191	1.5
118.03000	3.7
124.73714	1.2
145.01709	5.2
146.02509	4.8
147.04529	1.5
149.02504	3.6
151.04057	2.4
161.01233	2.1
161.02457	13.1
163.02780	15.2
164.03535	8.8
164.04825	7.5
165.01936	2.0
171.02019	30.7
172.02406	1.5
173.01181	38.7
174.01970	21.4
176.04793	14.4
177.02011	1.7
179.03514	21.7
179.07135	15.9
191.07166	6.6
194.05856	28.3
199.01501	100.0
200.01909	5.9
205.05113	2.7
209.08188	49.5
210.08585	2.5
264.55734	1.4
304.13260	2.6
309.06473	4.0
318.14771	1.6
319.15558	7.4
337.05957	2.9
352.08282	18.1
364.08282	5.9
380.07822	10.9
382.09317	79.3
383.09601	8.4
395.09949	10.5
409.10361	49.2
409.14963	3.6
410.11157	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	409.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90361	0.4
59.01382	13.1
59.11696	0.4
69.79604	1.4
71.01391	6.8
73.02905	0.4
83.01389	0.5
85.02951	1.2
87.00863	1.0
89.02453	8.5
95.01398	0.7
97.54944	0.4
101.02435	4.1
107.05032	2.6
113.02472	2.8
119.03513	3.9
121.02975	1.8
123.04548	0.8
125.06086	0.5
133.02969	100.0
134.03299	4.4
134.50749	0.4
135.04503	0.5
141.07092	0.5
143.03401	0.6
143.05006	0.8
149.02452	0.5
151.04022	20.9
152.04378	1.2
159.08206	3.0
161.04572	1.0
168.61195	0.4
174.99786	0.4
179.05565	1.1
203.07132	3.7
247.06134	10.0
248.06499	0.6
371.96680	0.5
409.11740	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18118	1.1
57.02968	1.2
59.01383	19.9
69.03451	5.7
71.01381	10.8
71.05024	19.6
72.13958	1.2
78.94816	1.1
87.00875	1.2
89.02459	19.4
97.02961	4.6
99.14026	1.4
101.02439	6.8
113.02473	11.9
115.04025	100.0
116.04368	3.3
119.03528	7.7
129.14014	1.3
130.08755	28.4
131.03481	5.0
131.09116	11.1
133.04112	1.5
133.05072	4.0
134.02777	1.5
135.03133	1.6
143.03493	2.7
149.04523	1.2
161.04584	1.6
179.05649	13.9
199.17683	1.4
216.82933	1.2
293.08850	2.3
349.10541	1.7
375.15253	1.3
386.12207	1.3
409.08072	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	409.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95573	0.8
57.03438	1.0
59.01383	28.3
71.01383	13.9
73.02941	2.7
73.22243	0.8
78.95915	1.1
83.01434	1.1
85.02958	2.3
87.00876	1.5
89.02449	20.4
93.03471	3.0
93.52326	0.8
95.01373	1.0
96.96012	2.8
96.96965	1.3
101.02452	10.1
102.44894	1.0
109.02978	1.1
113.02460	2.8
115.57638	0.9
121.02984	5.4
122.03766	9.0
123.04488	1.1
125.02456	2.2
131.03514	7.0
133.03015	2.0
136.01698	2.5
137.02461	2.7
141.61975	0.8
146.08240	1.1
149.02470	36.5
149.04517	11.5
150.03246	64.4
151.03816	3.1
161.04553	0.8
164.04839	9.3
165.05589	100.0
166.05934	4.2
180.04321	2.0
191.05664	3.7
195.06639	20.7
196.07091	1.2
271.09595	1.1
277.12314	1.4
285.07651	3.6
286.08478	7.9
289.07275	1.1
301.10855	14.1
302.11066	2.1
361.12955	40.2
362.13428	4.2
409.15573	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.151
Annotation	Pasakbumin C
Peak:m/z	Relative Intensity
55.01868	3.3
57.03445	0.9
59.01386	5.1
61.98829	1.4
62.97490	0.7
65.03978	1.3
67.01891	3.0
68.99813	0.8
69.03449	1.4
71.01382	3.3
73.02940	1.0
81.03457	2.0
83.01366	0.8
83.05013	1.9
85.02981	1.1
87.00912	0.8
91.05505	0.8
93.03471	11.1
95.01390	9.1
95.05027	2.1
96.96006	3.3
97.02991	1.0
99.04529	2.0
101.02444	1.8
103.00392	0.8
106.04247	1.2
107.05033	1.4
108.02190	5.4
109.02943	0.8
109.06568	1.0
110.70674	0.8
112.98772	1.0
120.05795	0.9
121.02975	17.4
121.06578	1.4
122.03774	2.0
123.00922	5.5
123.04542	3.7
123.08153	0.9
124.01583	0.8
125.02448	1.7
125.06098	4.0
134.03795	3.8
135.04581	5.1
136.01678	6.3
137.02435	2.3
140.70067	0.8
147.04539	2.4
147.08186	0.8
149.02463	1.6
150.03236	1.8
151.04028	1.2
152.04819	1.2
153.05556	2.6
159.08145	1.1
159.11841	1.5
161.02502	1.6
161.09717	0.9
163.03990	1.3
164.01149	2.9
165.01961	1.2
167.07141	1.7
173.06068	1.1
173.09727	1.6
175.07603	1.3
175.11261	2.3
177.02065	1.3
179.03441	1.2
185.09706	3.1
187.07704	1.7
189.05609	1.6
201.09314	1.4
202.09970	2.4
203.07135	1.4
203.10762	9.7
204.07936	1.4
217.08755	0.8
228.76094	1.1
241.12465	1.2
247.09897	0.9
250.64581	0.8
253.12598	0.8
260.01523	0.8
271.13580	1.5
289.14499	9.9
291.12512	4.3
305.13971	18.7
306.14368	2.5
333.13486	21.9
334.13705	1.9
337.16595	8.4
347.14969	1.3
365.16040	9.1
366.16440	1.1
391.13824	2.2
409.15057	100.0
410.15353	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	409.1507
Annotation	Pasakbumin C
Peak:m/z	Relative Intensity
55.01878	2.5
57.03439	1.1
59.01379	3.4
60.20951	0.7
61.98825	1.6
65.00308	0.7
67.01896	2.0
69.03466	2.2
69.53081	3.4
69.57498	0.9
71.01018	0.8
71.01392	2.7
73.02964	1.6
76.88475	0.7
81.03425	0.7
83.05035	0.9
85.02969	1.4
87.39925	0.8
93.03465	8.6
95.01388	6.9
95.05052	1.2
96.96027	3.0
97.02962	0.9
99.04537	1.0
107.05030	1.8
108.02192	3.5
109.02920	0.9
109.06619	1.1
110.00182	0.8
112.98855	1.2
121.02960	12.8
121.06743	0.8
122.03759	1.3
123.00930	3.9
123.04526	3.0
124.01781	0.8
125.02446	1.1
125.06117	2.9
133.02939	0.9
134.03777	3.7
135.04517	4.2
136.01656	3.8
137.02464	2.4
147.04526	1.6
147.08119	1.1
148.05365	1.1
150.03207	1.4
151.04070	1.3
153.05598	1.8
155.03519	0.8
159.08145	1.1
159.11815	1.3
162.03233	1.3
163.00356	1.2
164.01149	1.5
165.01906	0.9
165.46606	0.8
167.07153	1.8
173.06114	1.0
173.09671	1.0
175.07649	2.0
175.11331	1.7
176.08319	1.0
179.03557	1.0
185.09770	2.2
187.07701	1.6
201.09261	2.1
202.10051	1.0
203.07239	1.1
203.10815	8.1
204.11229	1.0
205.08688	1.2
235.00148	0.8
255.33574	0.9
289.14529	7.3
291.12500	2.8
305.13956	12.4
329.14185	0.9
333.13437	17.7
337.16525	8.2
347.14923	1.3
365.16248	5.0
391.13992	1.3
406.09061	0.8
407.37991	0.9
409.09668	3.2
409.15070	100.0
410.15314	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	409.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03582	0.5
60.93105	0.6
69.68658	1.8
69.69044	1.1
74.49551	0.6
93.87949	0.6
98.22597	0.7
104.02711	0.7
107.05027	0.9
148.01651	1.1
151.08238	0.7
155.08652	1.0
155.50066	0.6
159.02710	0.7
161.02431	1.0
162.03233	0.8
163.62071	0.6
171.08151	2.6
172.49187	0.7
187.07574	1.7
189.01891	1.4
190.02725	1.7
199.07646	7.3
201.01956	0.8
201.05644	1.3
202.53801	0.6
215.07137	2.5
232.59177	0.7
243.06621	79.0
244.07048	7.4
266.97067	0.6
312.13690	34.3
313.14035	2.9
327.16028	100.0
328.16296	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	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03446	1.6
58.00600	1.5
59.01381	100.0
60.01714	1.7
61.98845	0.9
71.01385	64.8
71.05003	0.7
72.01718	1.2
72.99322	1.4
73.01433	0.6
73.02948	13.5
75.74875	0.6
83.01406	2.3
85.02960	7.2
86.00096	1.7
86.22441	0.7
87.00881	6.7
88.76588	0.7
89.02450	98.9
90.02792	2.0
93.03440	0.8
96.96021	3.4
97.02935	1.2
99.00875	1.1
101.02448	38.1
109.02959	1.9
113.02455	10.5
119.03499	5.4
121.02963	2.1
122.03714	2.3
125.02469	6.4
126.02753	0.9
130.03343	0.8
131.03505	36.5
132.03831	0.9
133.02896	1.2
137.02417	2.1
146.08205	2.8
146.28862	0.7
149.02458	2.4
149.04559	60.4
150.03233	15.3
150.04906	1.9
151.03911	0.8
161.02437	1.7
161.04546	1.0
165.05579	22.0
191.03978	0.8
191.05630	15.0
195.06618	5.8
203.07060	1.1
213.07600	0.7
217.11980	0.7
277.12402	3.4
285.77597	0.7
289.07303	1.5
361.12726	1.2
394.97049	0.7
409.07922	1.2
409.16119	2.0
420.35208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.0
59.01388	100.0
60.98333	5.9
61.98832	19.3
62.45173	6.6
62.97190	6.6
69.64169	11.6
69.64581	19.9
71.01392	57.1
72.45644	6.8
72.99323	10.0
73.02940	12.8
79.69172	6.4
83.01428	6.5
85.02953	20.8
87.00900	35.9
89.02467	29.1
96.96029	6.9
97.06609	8.2
101.02457	32.5
102.65602	5.8
109.02988	9.9
112.98801	14.0
113.02451	17.8
115.00387	8.3
131.03604	7.0
133.01451	9.3
133.02954	11.3
134.03767	70.8
135.04604	34.3
147.03247	9.8
148.03998	8.5
149.00887	48.7
150.01302	8.2
161.04565	10.4
179.05623	6.4
186.09117	12.9
191.05612	7.4
195.80606	7.6
203.10893	9.5
206.04646	13.1
229.14464	13.0
231.10234	24.3
232.10532	9.0
233.10899	9.5
235.78612	6.3
275.09210	36.8
276.09586	10.6
277.10281	42.1
293.10416	16.0
349.18658	15.3
409.20380	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
57.03444	3.3
59.01385	79.2
60.01723	1.4
61.98824	1.9
69.03474	0.9
69.28111	4.9
71.01388	29.1
72.99311	1.9
73.02952	8.0
83.01405	2.5
85.02960	11.3
87.00883	3.0
89.02455	23.9
89.21782	0.8
95.01397	2.6
97.02944	2.1
99.00848	1.5
101.02460	20.0
101.06090	21.8
102.05620	2.3
103.04003	3.9
113.02455	9.5
113.52557	0.9
115.04060	1.0
116.23425	1.0
119.03503	8.4
125.02453	5.5
129.02020	1.0
131.03464	1.1
143.03519	2.2
147.38234	0.8
152.07024	0.7
161.04555	4.0
163.03812	1.4
163.06155	1.4
169.67024	0.8
173.86841	1.0
179.05630	3.4
183.13890	3.3
187.07495	0.9
188.71867	0.8
201.15048	1.5
211.13403	1.0
219.11877	0.9
229.14465	24.7
230.14742	2.1
247.09612	1.5
247.15405	4.0
247.19206	1.0
277.12350	2.5
349.11484	1.2
349.18747	5.6
409.20734	100.0
410.21420	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	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39184	0.7
55.01884	3.9
57.03440	4.4
59.01385	34.7
61.98833	18.7
65.49478	0.7
71.01388	47.5
72.99300	1.5
73.02952	20.3
79.04620	0.7
83.01387	10.7
85.02954	26.0
86.00101	1.2
87.00887	2.5
89.02455	7.7
95.01388	4.0
97.02969	1.0
99.00877	7.9
101.02452	45.9
105.20978	0.7
111.00887	1.4
113.01717	1.3
113.02464	19.3
114.67000	0.7
119.03492	1.5
125.02434	1.7
129.01923	0.9
131.03581	1.0
133.02936	0.9
134.03716	2.0
134.04770	2.2
135.04544	0.8
143.03491	2.6
149.04582	1.0
149.65735	0.7
159.03032	4.6
161.04570	28.5
163.99449	0.9
173.26816	0.7
179.05611	0.8
199.11107	0.8
219.10320	0.7
264.73117	0.7
277.16580	100.0
278.16888	7.5
374.59360	0.7
409.20905	9.6
410.21170	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91565	0.7
54.52914	0.7
54.91653	0.7
55.01886	8.3
55.85736	0.7
57.03451	5.4
58.00597	0.8
59.01385	100.0
60.01722	1.5
69.03458	3.0
69.94086	2.5
71.01389	92.1
72.01746	1.3
72.60407	0.7
72.99313	2.5
73.02953	29.2
75.00889	0.8
81.03454	0.9
82.97917	0.7
83.01391	18.9
84.02203	0.8
85.02959	36.8
86.00104	1.4
87.00875	4.1
89.02453	45.6
95.01413	4.3
96.96025	0.9
97.02965	4.2
97.71104	0.7
98.21996	1.0
99.00899	9.1
101.02454	76.7
102.02820	1.3
111.00887	6.7
113.02461	28.7
113.09763	0.7
115.04038	1.8
119.03497	2.3
125.02455	5.7
125.58061	0.7
126.17599	0.7
129.01956	1.5
131.03516	30.7
132.03932	0.7
143.03531	3.4
149.04561	12.8
159.02988	4.6
161.04579	25.9
162.04968	0.8
173.04483	0.8
191.05667	1.2
215.05682	2.2
233.06688	4.9
259.15384	1.4
277.16580	85.7
278.16974	5.6
409.20834	63.1
410.21130	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	409.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	12.7
69.03477	5.4
69.59391	3.9
71.01367	7.4
80.91703	7.5
85.02954	10.2
96.96025	7.6
97.02945	11.6
99.53239	3.6
99.92602	30.7
100.93383	5.0
101.07909	4.1
102.05638	5.6
109.02975	5.2
115.92102	7.9
116.92877	8.5
125.09772	8.2
128.03535	9.3
135.04547	33.1
137.09686	5.2
148.04053	26.6
165.12819	17.8
167.10535	5.5
171.10257	23.0
176.12292	4.2
178.02547	4.4
179.03511	7.3
187.09753	5.3
193.08472	25.0
198.80444	3.5
205.12117	6.1
207.10040	16.7
211.07751	5.9
211.13412	17.0
213.09317	3.9
219.09972	4.0
221.11633	11.5
222.08797	5.2
229.14488	20.1
231.10030	7.5
233.11639	100.0
234.11865	8.0
243.10005	4.2
249.11339	7.1
251.11438	46.6
252.11954	4.5
261.11108	21.1
294.05585	17.9
313.17822	6.8
327.21741	70.6
328.22018	10.0
331.18851	14.9
333.12573	4.6
349.19928	86.8
350.19986	11.8
366.04666	4.0
374.11911	4.0
409.13431	17.7
409.18362	5.5
410.13977	12.2
416.28064	3.9
426.95218	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	409.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11542	8.0
60.99313	17.5
62.02470	7.5
66.62681	7.4
69.50956	22.5
78.95913	41.1
88.98815	100.0
89.02460	83.0
108.84082	7.5
112.98779	11.5
129.50519	7.2
152.99620	47.7
160.62030	7.4
208.56281	7.0
210.91631	8.7
223.13170	84.4
247.88853	7.8
267.12088	14.8
268.05679	8.0
277.21582	11.0
319.22568	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	409.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51216	0.6
70.56944	1.4
73.25885	0.6
74.22006	0.5
86.50056	0.6
123.13266	0.6
129.54887	0.6
137.62267	0.6
162.90871	0.5
168.74493	0.6
170.84103	0.6
183.13931	17.4
184.14290	0.8
195.13913	22.5
196.14243	1.6
198.16797	0.6
211.13344	0.6
213.14975	100.0
214.15326	6.7
221.00348	0.6
270.97440	0.8
283.36990	0.8
284.58813	0.6
409.29550	9.8
410.30045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61153	24.8
56.81985	21.7
57.92502	24.1
58.88230	23.7
59.01400	26.7
69.30796	74.6
69.31203	61.4
72.02166	24.1
98.21966	55.1
98.46599	24.7
148.05316	100.0
163.07657	97.3
181.14716	22.4
252.20296	25.3
427.67252	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72610	1.6
57.03406	2.0
59.01389	19.1
61.98835	100.0
71.01373	5.3
75.22646	2.0
79.73100	2.1
81.03481	2.5
83.05013	5.6
89.02419	3.5
96.95991	2.2
101.02473	2.6
104.64309	2.0
107.05038	2.0
108.57984	1.8
111.57546	2.3
119.03523	2.7
121.02960	8.0
123.04493	2.2
125.02428	2.8
132.05818	1.9
135.04512	3.1
136.01581	1.8
137.02467	4.1
138.03137	2.4
148.04085	3.3
151.04004	8.7
152.04794	21.1
155.60420	1.9
163.04070	3.1
179.03458	3.0
180.04276	6.6
203.10771	2.1
216.10983	2.1
222.66953	2.1
231.10258	3.4
249.11452	4.9
334.14301	15.4
349.16632	10.7
410.15558	4.8
410.26489	8.6
410.31207	2.3
411.16443	6.9
416.07065	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	410.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.47128	40.0
92.92809	66.6
99.92622	43.2
106.99159	39.8
126.34285	45.3
133.56444	40.9
244.06944	49.8
247.29794	41.3
283.35724	39.0
328.16315	40.7
412.71423	49.7
416.20056	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57853	38.9
56.63032	28.1
59.01389	36.0
61.98804	41.7
70.11050	100.0
98.26129	30.6
116.92823	35.6
177.37732	34.9
217.00510	37.0
312.22900	31.9
411.21918	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99521	60.2
61.98833	73.6
70.34203	100.0
70.34509	76.7
82.29172	63.6
87.62167	68.4
98.22578	92.2
116.43305	63.9
116.92827	79.4
127.05807	69.7
248.41508	64.4
267.39664	66.0
411.21652	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	84.5
70.20449	100.0
78.95893	40.6
84.47258	33.2
90.67123	39.3
98.20303	37.2
98.21870	36.1
114.93582	32.0
140.30273	37.3
190.58646	35.0
401.12201	39.5
406.99023	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87653	1.0
59.01384	13.6
70.67914	1.8
71.01390	10.6
72.99313	2.8
73.02958	4.9
75.00886	4.4
78.43301	1.2
83.01411	1.2
85.02949	1.4
85.45073	1.1
89.02449	21.2
89.18241	1.4
94.41121	1.1
96.96984	1.2
99.00900	9.0
101.02450	4.9
102.01569	1.1
105.01942	100.0
113.02502	1.1
117.05587	1.2
123.04514	2.0
125.02465	5.5
131.03526	2.2
135.01245	4.4
137.02434	1.6
149.04570	8.9
151.00348	2.7
151.04086	1.2
153.01956	11.9
167.03516	5.4
191.05595	2.6
210.93875	1.6
305.06961	1.8
332.35165	1.1
411.09662	2.3
411.15079	18.4
412.15750	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	411.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93217	8.4
57.51386	9.2
59.01383	54.1
61.91387	8.6
61.98830	34.1
71.01379	32.1
71.05032	12.9
73.02981	8.3
78.95901	12.4
85.02933	9.5
87.00890	21.6
89.02467	43.1
96.96025	12.6
96.96971	29.4
99.00884	12.7
101.02448	24.8
105.01940	47.2
108.02174	10.3
113.02438	14.3
115.04028	31.4
117.05602	39.6
123.04483	8.2
135.04520	16.4
146.36095	9.1
149.02480	31.0
150.03230	51.3
151.88055	9.1
161.04550	12.0
164.04796	11.8
164.07164	9.6
165.05585	100.0
167.03508	10.5
179.05519	16.0
195.06615	44.1
213.00813	13.0
226.70125	9.0
327.10925	31.2
329.05417	11.8
411.09787	13.7
411.14798	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	411.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09756	12.0
58.66201	10.8
59.01384	100.0
61.98829	28.0
69.71543	41.7
71.01383	65.7
75.57384	11.9
78.95880	13.4
89.02005	10.6
89.02458	71.5
101.02454	27.0
105.01952	25.7
113.02444	28.9
115.03997	33.3
117.05615	11.2
119.03481	25.4
134.45963	12.4
135.66013	10.2
145.03030	20.1
147.04512	11.3
151.82762	12.6
161.02403	12.6
162.03227	28.0
165.05531	13.6
168.99968	12.8
179.05597	52.6
184.55080	11.3
191.11572	11.3
211.06097	27.9
307.03046	12.3
345.13654	12.4
357.12039	37.9
411.09824	39.1
436.93811	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	411.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98954	3.7
59.01371	15.7
60.24446	4.3
71.44736	3.7
78.27866	4.0
93.03457	18.2
105.98784	4.2
107.05013	4.4
108.31070	4.2
117.03493	7.6
121.06625	14.0
133.02977	100.0
135.04480	5.0
143.05020	12.5
145.06456	4.3
145.69832	4.0
157.06679	20.7
159.08189	6.4
165.05574	10.1
180.05791	4.7
183.04552	6.8
184.05176	5.1
185.06128	9.9
195.42488	4.2
201.05688	10.3
203.07178	6.1
214.02797	7.4
223.07703	5.3
229.10178	4.2
245.09781	34.6
247.07722	7.7
248.08392	10.3
249.09203	9.7
255.08087	4.6
261.05707	5.4
261.09351	5.1
263.10742	70.4
273.09186	47.2
275.07150	12.7
276.07990	20.3
289.08658	12.6
291.10303	70.3
307.09769	30.3
317.08182	12.6
335.09344	28.5
411.20120	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53796	1.0
59.01382	67.6
61.98830	2.3
69.03444	1.6
70.65456	2.1
71.01385	48.9
72.01723	1.2
72.99292	1.7
73.02950	20.3
73.20209	1.2
75.00864	1.4
83.01402	1.9
85.02975	2.5
87.00846	1.5
89.02449	78.0
90.02801	2.1
96.95988	3.5
96.96974	3.0
97.02924	2.1
99.00887	44.9
101.02448	25.4
105.01925	7.9
113.02446	6.7
116.92779	1.8
117.05582	4.5
119.03521	2.4
125.02452	4.9
131.03517	13.6
140.83226	1.2
149.04570	32.3
152.01122	1.8
153.01938	1.4
161.04584	2.6
167.03474	2.8
191.05617	15.8
205.08685	2.1
249.00793	1.5
251.07724	2.9
301.25571	1.2
351.03867	1.7
411.15082	100.0
412.15366	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	411.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30180	0.4
54.35215	0.4
59.01382	5.1
61.35933	0.5
61.98815	1.2
63.95012	0.4
69.03458	2.1
69.36714	2.5
71.01385	3.0
71.05029	23.5
78.95963	0.4
85.02941	0.9
89.02429	1.0
97.02960	5.8
98.21845	0.9
99.04546	0.4
101.02466	1.5
112.98856	0.6
113.02468	1.4
114.37225	0.4
114.88080	0.5
115.04027	100.0
116.04325	2.5
117.00463	0.7
117.05612	3.8
127.02542	1.1
129.04121	1.9
133.05161	1.0
141.00493	0.7
145.01492	0.5
153.00453	0.9
153.03989	0.7
155.02014	3.8
169.03651	1.9
170.99751	1.0
171.05138	2.9
179.05602	0.9
181.07237	2.1
183.08778	1.8
195.01569	0.6
197.03084	4.6
209.06792	0.9
213.00816	1.7
249.00478	0.7
251.04175	0.7
253.05768	3.2
254.05838	0.6
257.05264	0.7
265.04346	0.7
269.03320	0.8
270.99823	1.1
273.02957	0.8
291.02246	2.5
292.02365	0.7
295.01654	1.0
307.03400	0.9
325.04446	0.9
329.05734	0.6
333.03241	1.1
351.02454	4.7
352.03125	0.8
369.03638	2.5
369.38159	0.7
411.10629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46957	2.2
59.01388	88.0
61.98841	2.8
69.25157	13.3
71.01390	28.3
73.02955	18.3
85.02955	11.3
85.06599	100.0
87.00891	11.8
87.04520	27.6
89.02455	17.7
91.34502	2.1
92.17102	2.1
95.01399	4.1
97.02984	3.0
97.72204	2.5
99.00880	3.3
101.02444	21.1
101.06081	4.7
103.76868	2.5
107.05089	3.3
111.00890	2.7
113.02457	14.3
113.06083	13.4
115.04027	3.5
119.03513	7.3
121.88438	2.0
129.05605	14.6
131.03500	4.8
135.04526	3.1
139.04013	3.9
143.03473	3.0
148.04018	2.5
148.05328	3.0
149.04607	4.6
151.19012	2.3
157.05113	2.0
161.04539	6.8
179.03503	2.5
187.04099	2.3
189.07729	22.8
191.05507	3.4
205.08696	7.8
249.11462	4.4
279.14499	11.8
411.18643	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	63.2
60.01700	1.4
61.98819	2.6
69.03441	2.6
69.51985	5.1
71.01388	7.3
73.02954	5.8
74.37952	1.3
76.72964	1.3
79.28394	1.2
83.01408	4.3
85.02966	4.6
85.06598	100.0
86.06952	2.7
89.02448	5.5
101.02460	10.7
113.02460	13.5
113.06100	22.5
115.04025	18.8
119.03520	3.8
129.05583	7.0
143.03485	2.0
156.51563	1.3
157.05061	7.1
161.04584	4.1
188.36438	1.4
189.07707	22.7
200.91939	1.3
307.63678	1.4
438.88666	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	411.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.7
70.38721	1.8
76.69547	0.8
83.05015	1.4
87.00880	3.5
97.06592	2.8
99.92590	1.4
121.20882	0.8
123.08148	1.5
139.17819	0.7
190.02666	2.0
204.03244	0.9
208.17564	0.9
217.15965	5.9
235.17035	18.5
236.17134	1.1
243.06552	1.1
243.13840	1.9
256.54739	0.8
261.15057	7.7
279.16034	100.0
280.16336	9.4
307.13281	0.7
325.98599	1.1
326.99777	1.1
329.13962	13.0
330.14273	1.5
341.00980	1.3
351.11023	2.5
352.11270	0.8
369.11789	1.2
390.63690	0.9
394.05322	1.4
411.12732	1.7
412.06165	5.8
412.13242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1667
Annotation	Yadanziolide S
Peak:m/z	Relative Intensity
51.50421	0.5
55.46550	0.6
57.03444	1.8
59.01373	2.4
65.00317	0.7
67.01875	1.9
68.99831	0.8
69.03465	0.6
71.01383	0.7
73.02949	0.7
79.05532	0.9
81.03460	1.4
87.04525	5.6
93.03470	6.4
95.01392	8.4
95.04998	1.3
99.00889	0.9
99.04520	1.1
99.45325	0.6
101.06126	0.6
107.05044	1.1
108.02188	4.4
109.02940	1.0
109.06544	0.5
121.02967	16.6
121.06595	1.1
123.00903	4.3
123.04520	2.3
125.02442	0.8
125.06096	2.9
127.04045	0.7
134.03748	2.5
135.04535	2.2
136.01689	4.8
137.02425	1.1
138.03262	0.7
147.04533	0.8
147.08150	0.9
148.05299	1.3
149.09636	0.6
150.03253	1.3
151.03996	0.9
152.04742	1.3
153.05562	2.3
158.32288	0.6
158.70140	0.6
159.08176	1.0
159.11829	1.1
159.47388	0.5
161.09666	0.7
163.00426	1.0
164.01173	1.6
165.01964	1.1
167.07152	2.5
174.06821	1.1
175.07645	0.6
175.11292	2.1
183.08121	0.6
185.09729	3.4
187.07654	0.7
189.09357	0.6
197.88368	0.6
201.09303	1.2
203.10796	8.1
204.11208	0.7
215.10760	0.7
217.08662	0.5
263.12982	1.3
269.82593	0.6
273.14954	0.6
291.16043	9.2
292.16278	1.1
293.13950	5.0
307.12305	0.6
307.15506	10.7
335.15033	15.0
336.15292	0.9
339.18057	8.7
340.18634	0.6
349.16559	1.0
367.17798	3.6
393.15097	1.1
411.16632	100.0
412.16925	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	411.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
60.42623	2.5
69.16382	17.9
96.96015	3.7
98.95592	7.2
105.75482	3.1
117.65195	3.6
137.02536	3.1
153.25237	3.0
183.13889	9.5
193.04990	2.9
195.13908	7.9
213.14973	100.0
214.15309	7.8
224.39108	2.7
226.62938	2.9
350.30722	3.2
411.18320	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	411.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.4
57.03448	5.8
57.78252	0.8
58.00597	1.4
58.55075	0.7
59.01384	100.0
60.01712	1.8
61.98831	2.8
66.07462	0.7
68.99841	0.8
69.03455	3.1
71.01386	94.2
72.01733	1.5
72.99312	3.0
73.02953	31.0
73.72826	0.6
75.00880	1.9
77.99157	0.7
81.03455	1.9
83.01393	18.1
83.56774	0.7
85.02956	38.6
86.00097	1.5
87.00876	6.2
89.02453	46.3
90.02784	1.1
95.01402	4.6
97.02943	4.0
99.00893	10.7
100.00430	1.1
101.02452	80.4
102.02776	1.9
109.02952	1.0
111.00890	10.9
113.02457	29.3
114.02772	0.7
115.04017	2.4
117.05597	1.4
117.09257	1.9
118.05075	3.3
119.03535	3.3
121.02808	0.9
125.02473	7.4
127.04028	0.9
129.01949	2.2
130.95978	0.7
131.03511	26.7
135.04532	3.1
137.02480	1.6
141.02008	1.2
143.03516	5.3
149.04564	13.7
151.36516	0.6
159.03027	4.3
161.02525	1.5
161.04568	26.1
165.05630	1.6
165.61494	0.8
179.03566	1.3
184.86044	0.7
189.05658	0.9
191.05577	2.5
201.01804	1.0
205.08647	1.1
213.01949	0.7
215.05501	1.7
231.03015	1.0
233.06664	7.5
257.22083	0.9
261.13535	1.7
279.14508	97.9
280.14847	6.3
293.08771	1.7
375.07043	1.6
376.78323	0.7
411.18723	87.7
412.19098	8.0
431.38086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81762	3.7
57.28451	3.9
59.01398	7.8
61.24056	4.5
61.98829	17.1
71.41798	4.3
76.22678	3.5
80.91705	5.5
99.92595	16.8
115.92089	7.7
116.92904	4.3
125.09708	3.9
125.70168	4.2
139.11313	12.7
165.12889	14.7
171.10326	13.8
193.08492	43.1
205.12122	5.1
211.13416	17.1
221.11601	7.2
229.14445	12.4
231.10040	5.2
233.11594	100.0
234.11867	8.0
249.11200	6.1
251.11540	17.6
251.12685	26.3
294.05542	9.3
329.23383	59.9
330.23758	4.4
351.21512	69.2
352.21439	6.9
376.13324	4.3
412.16086	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	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
65.80325	9.0
67.74315	8.1
69.26086	25.5
69.26470	16.0
98.21893	18.2
100.93311	8.5
108.33365	8.0
139.88733	8.7
161.44881	9.7
177.29785	8.9
239.62866	10.3
240.52887	10.4
353.20016	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	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.78393	4.8
76.99369	4.3
81.40742	4.7
103.19489	5.2
118.91782	5.0
248.39984	4.5
311.15726	5.1
417.48267	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03444	1.9
59.01383	11.0
61.98832	0.8
67.98485	0.8
69.54432	2.9
72.35149	0.8
73.02947	2.7
74.00177	0.7
75.71125	0.8
80.25990	0.7
83.01395	100.0
84.01714	2.3
85.02961	1.0
86.15559	0.8
87.01931	0.7
87.04535	4.7
95.01357	1.1
96.96012	0.8
98.21808	0.9
113.02473	2.2
124.79520	0.7
131.03520	7.3
137.21405	0.9
149.04547	2.2
151.00771	0.8
162.33058	0.8
279.23300	85.0
280.23627	8.1
326.18616	1.0
353.19980	1.6
375.11716	0.8
411.27573	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59161	2.2
59.01384	100.0
61.49062	2.9
67.44693	2.7
69.53392	6.3
87.00872	10.7
88.98808	4.8
89.02451	6.3
96.96016	3.4
103.00384	7.1
112.98810	12.1
117.92924	2.6
118.96224	2.6
185.33072	2.5
189.30800	2.5
236.30618	3.3
279.23279	24.7
280.23550	3.0
284.57831	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	412.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	12.3
94.92533	9.3
96.96022	83.7
96.96971	7.0
99.92596	89.8
115.92062	12.9
116.92878	17.2
118.89990	100.0
134.89502	34.2
135.90298	25.7
203.65535	4.4
340.11285	12.7
358.12402	13.4
376.13467	30.0
377.13538	5.4
412.11319	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	412.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98800	1.0
69.30146	1.7
69.30553	1.3
70.00508	0.5
80.25491	0.5
94.66319	0.5
99.92572	1.0
104.02647	1.0
107.05010	1.2
111.53558	0.6
114.75460	0.5
140.00957	0.6
143.92749	0.7
145.02974	0.5
148.01614	1.0
161.02396	1.3
171.08241	2.9
181.06473	0.7
187.07649	2.0
189.01935	2.0
190.02655	1.8
199.07669	8.5
201.01984	1.0
203.03372	0.5
215.07031	2.5
221.47188	0.5
222.01648	0.8
240.15111	1.1
243.06618	84.5
244.07031	8.4
245.07297	0.6
258.09052	0.7
265.98917	0.5
284.14307	0.6
312.13675	37.8
313.14069	4.0
327.16022	100.0
328.16412	10.6
330.16928	1.2
376.14517	0.5
412.13879	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	412.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47961	2.7
59.01371	9.6
71.01382	3.9
71.41714	2.9
71.49449	3.0
73.66246	2.7
93.03477	7.0
101.02430	4.3
108.26064	2.8
121.02976	3.2
123.04554	4.0
135.04544	3.9
146.03735	9.3
151.04001	7.7
153.05290	2.8
161.02417	4.0
163.03999	3.6
170.24765	2.9
174.06874	10.8
189.09192	20.2
191.07126	3.3
197.98074	2.7
205.08675	7.1
206.09492	19.0
206.11626	5.9
207.10275	100.0
208.10689	4.9
235.06184	3.4
238.15862	2.4
250.10828	7.8
280.06207	3.8
302.28433	2.8
306.04218	2.9
308.16626	2.9
336.15784	5.7
351.18192	4.6
369.15527	6.1
374.58316	3.5
413.14523	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	412.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
57.03439	0.9
59.01387	32.9
61.51698	0.6
61.98839	1.2
69.51047	0.9
69.51450	2.1
71.01388	19.6
71.05038	0.7
72.04546	0.8
73.02948	2.6
77.16935	0.6
82.02995	23.5
83.01398	2.5
83.03345	0.6
84.04554	14.6
85.02958	12.6
87.00910	1.3
89.02451	9.4
91.05544	2.3
93.03505	0.8
95.01410	1.0
97.02969	0.7
98.02551	0.8
99.00883	1.2
100.04058	26.8
101.02461	9.7
102.05621	3.3
113.02475	6.1
114.05653	0.8
119.03518	3.1
125.02450	0.8
128.03554	10.0
129.01974	3.0
135.04567	1.4
135.13110	0.7
137.02444	1.6
146.08276	1.8
147.04556	1.9
161.02502	1.1
161.04607	1.6
165.05594	1.9
166.12172	0.6
168.06776	0.7
179.03575	1.1
188.10764	2.3
189.05687	0.9
193.85971	0.7
204.10312	4.3
214.08710	1.3
232.09811	24.0
233.10114	2.1
250.10907	17.7
251.11137	1.4
277.12259	5.4
315.39825	0.8
412.16171	100.0
413.16544	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	412.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.91784	10.6
63.37298	10.7
71.01371	32.1
74.42148	14.2
89.02449	47.5
101.02426	16.7
105.01949	11.7
113.02473	19.8
137.09731	13.6
148.72792	10.8
160.04073	33.9
195.26205	11.6
251.09174	17.1
308.01132	11.6
345.20972	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	412.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
181.20714	83.1
185.91409	91.2
195.33604	100.0
286.15494	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68462	27.6
56.14968	23.2
58.33403	20.3
59.41044	22.3
61.98848	40.2
69.31580	100.0
82.09708	26.5
96.96007	29.1
99.92625	25.7
118.89988	82.7
167.89384	23.7
180.38106	23.7
187.25934	24.3
238.22118	22.2
271.32758	26.7
329.61823	25.9
437.01620	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43565	53.0
57.42123	48.0
68.56669	58.9
70.73043	100.0
135.45351	47.5
163.30202	49.4
190.59569	56.0
204.76675	53.1
273.69000	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06570	46.2
69.92827	65.9
69.93157	100.0
77.01903	59.0
93.46453	51.4
137.25337	46.7
184.43980	46.7
192.92712	49.8
204.96825	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	45.3
69.42149	96.4
74.74681	26.4
82.87025	27.5
96.96011	48.3
99.37443	27.2
99.92579	92.3
108.26198	24.9
118.89990	100.0
135.90314	49.4
238.70410	39.2
341.05850	30.0
376.13104	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44843	15.5
51.67990	14.6
53.60351	15.2
55.82232	17.0
68.91407	15.5
69.11957	100.0
83.23914	16.6
111.18710	15.9
119.55993	19.4
272.06781	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	79.5
70.89787	40.9
70.90138	34.2
82.26309	27.0
99.92620	77.5
134.36307	23.4
171.64920	27.6
201.30830	22.6
203.45435	23.3
274.15759	26.5
298.47473	25.9
325.98849	100.0
373.30069	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27552	0.7
57.03447	0.9
59.01388	32.4
61.98833	2.2
69.29652	0.7
69.36493	3.4
71.01389	1.9
73.02957	1.2
73.48705	0.8
82.95427	1.6
93.03466	3.5
101.02483	1.0
104.02705	3.9
108.91650	0.7
109.02947	1.5
120.95851	0.8
125.02430	4.3
135.04498	1.1
137.02428	4.3
145.02872	0.8
148.01677	8.6
149.02492	1.0
152.01137	0.9
161.02475	1.7
175.03969	0.9
176.01164	66.9
177.01602	3.3
179.03494	1.1
189.05542	1.4
191.03519	100.0
192.03885	5.5
198.03220	0.8
207.02963	1.5
207.10271	1.9
235.02429	1.6
250.04916	1.5
293.08755	2.4
303.09967	0.8
413.10971	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25813	1.2
55.01893	1.1
57.03453	1.8
59.01382	29.4
59.36993	1.0
59.93492	1.0
69.03463	6.3
69.37624	6.0
69.37949	1.1
71.01391	16.5
73.02953	2.7
79.56185	1.2
83.01376	2.3
85.02954	6.0
87.00910	5.7
89.02453	14.2
90.87893	1.0
92.02682	3.5
93.03469	58.0
93.59950	1.1
94.03811	2.0
95.01388	2.5
101.02443	12.1
107.05067	1.3
109.02948	1.2
113.02467	19.2
115.64071	1.2
116.95274	1.0
119.03537	5.6
131.03517	5.7
133.05089	1.7
135.04529	2.9
136.01682	16.7
137.02461	100.0
138.02771	2.9
147.04619	1.1
151.04041	8.1
161.04480	1.3
162.03267	10.9
164.08440	2.8
177.05545	8.6
179.03520	42.1
180.03853	2.5
191.03612	1.6
207.10378	1.9
209.04529	6.4
239.05598	20.9
275.07785	4.9
293.08801	63.4
294.09155	4.6
299.07913	2.3
354.48114	1.4
413.10941	70.5
414.11310	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	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95584	0.8
57.03452	0.9
58.96945	0.8
59.01384	29.0
60.09932	0.7
69.03465	2.2
69.60134	0.8
71.01388	4.7
71.41170	1.0
72.91897	0.8
73.02971	1.3
83.01403	1.1
85.02950	4.5
89.02442	2.2
93.03465	9.3
95.05083	0.8
101.02451	1.9
104.02699	5.4
108.02207	2.7
109.03003	2.5
111.04536	0.9
113.02471	4.2
119.03465	1.0
121.02994	0.8
123.00866	0.8
123.04568	1.0
125.02470	3.0
135.04515	1.9
136.05353	1.3
137.00713	2.8
137.02451	16.6
137.06129	1.3
148.01694	8.5
152.01134	1.4
153.02002	1.2
161.02467	1.5
161.04561	0.8
162.03145	1.0
163.03990	1.6
170.83871	0.9
176.01161	82.8
177.01624	5.3
177.04047	0.7
177.09258	1.1
179.03491	2.4
189.05690	0.8
189.09224	2.5
191.03513	100.0
192.03871	6.0
197.67242	0.8
206.09483	3.1
207.10284	5.3
254.88097	0.9
275.07724	9.4
293.08939	6.6
387.99847	1.0
413.10657	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	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.5
60.29693	0.8
61.98832	1.1
66.87915	0.9
69.03451	1.0
69.27998	0.9
71.01388	9.5
73.02945	1.6
83.01427	1.2
83.05059	0.9
85.02945	4.7
87.00891	1.5
89.02448	4.0
93.03455	6.9
96.96013	2.7
99.04515	1.6
101.02468	5.5
107.05036	1.7
109.02992	1.2
113.02457	7.2
119.03490	3.2
119.05035	8.0
122.03733	1.3
127.04042	0.9
131.03575	1.4
133.02940	1.3
134.03781	1.2
135.04538	67.2
136.05273	6.9
137.02461	8.2
137.06137	2.4
142.20351	1.0
146.03767	2.5
147.04501	7.6
148.05266	3.1
152.01155	1.6
159.03046	1.6
159.04529	2.2
160.05269	2.2
161.02466	1.0
161.04541	7.5
161.05931	1.9
161.09723	1.6
162.03217	3.1
163.04013	6.9
163.07693	1.9
164.04776	2.4
164.08441	14.4
165.09203	5.6
172.05270	1.5
173.06058	2.3
174.06873	7.1
175.07619	4.2
176.01073	1.6
176.08438	28.2
177.05576	3.9
177.09229	26.2
178.09735	2.3
179.03479	4.9
188.08403	4.1
189.09227	30.3
190.09502	2.2
191.03545	2.1
191.05627	3.9
205.08679	2.4
206.09497	100.0
207.10255	85.2
208.10660	5.8
219.10185	2.6
221.08188	3.0
231.10309	3.7
241.09190	0.9
249.11346	11.2
251.05652	1.6
256.96899	1.0
261.11426	3.2
275.07761	5.7
293.08710	3.9
294.09216	1.1
369.15610	6.9
375.07068	5.6
413.10602	3.7
413.14658	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23201	0.4
55.01884	0.4
59.01387	7.2
66.59112	0.3
69.20050	0.7
69.20444	1.0
71.01386	3.5
73.02955	0.8
85.02977	1.2
89.02454	2.0
90.99318	0.3
98.21884	0.7
99.00919	0.3
101.02457	2.7
107.05046	1.0
113.02461	1.4
114.05526	0.3
117.03494	1.0
121.02956	0.4
130.08760	1.0
132.02188	0.6
133.02977	20.0
134.03787	8.8
135.04546	50.3
136.04904	1.6
137.02441	1.5
139.04060	0.5
145.90999	0.4
152.99570	0.4
157.13481	0.4
161.02466	69.0
162.02794	3.2
178.02782	1.2
179.03522	25.4
180.03865	1.1
251.09247	2.3
278.85220	0.3
282.28653	0.4
351.69321	0.4
370.24100	0.3
413.14572	100.0
414.14859	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	413.2187
Annotation	Tentoxin
Peak:m/z	Relative Intensity
50.02284	1.3
55.01863	1.3
57.03448	1.6
59.01390	100.0
60.01715	1.9
61.98856	1.3
66.81754	1.2
71.01392	49.9
72.01727	1.1
72.99321	2.4
73.02955	2.6
75.45383	1.1
83.01396	3.3
85.02963	12.4
87.00919	1.5
88.06641	1.0
89.02457	45.8
95.01400	4.2
96.96599	1.4
99.04569	1.7
101.02462	34.5
108.00941	1.3
113.02466	19.3
119.03528	21.7
131.03494	2.2
137.11877	1.2
141.38953	1.1
143.03540	2.2
149.04573	1.4
161.04562	1.3
179.05684	2.3
181.34837	1.3
228.61784	1.2
233.15454	3.7
243.08333	1.3
281.17715	1.7
413.21838	62.4
414.22003	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	413.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.1
59.01386	100.0
60.01726	0.9
62.18959	0.4
63.69728	0.5
70.14240	1.1
71.01389	5.8
73.02964	2.0
77.85207	0.4
83.01443	0.7
83.05051	1.5
85.02957	2.9
89.02453	2.3
95.01402	0.6
97.06558	0.5
99.00890	0.8
99.04746	0.4
101.02469	3.8
113.02472	3.6
119.03548	1.1
131.03786	2.4
132.04591	0.9
137.02339	0.5
137.09685	0.5
142.03040	0.6
149.01059	0.5
157.06612	0.9
158.93663	0.5
159.02985	0.5
161.04657	2.1
168.04666	0.8
176.15822	0.5
203.07286	0.5
209.15587	0.8
245.09734	0.9
247.07680	0.9
251.16763	0.6
263.10770	2.7
272.10971	1.1
274.08893	0.7
290.11963	1.1
305.27365	0.5
307.09732	1.2
334.10828	0.9
353.19781	0.9
371.20917	3.5
415.64581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69516	0.4
55.01894	0.6
55.17229	0.4
57.03447	1.1
58.83832	0.4
59.01387	100.0
59.84254	0.4
60.01730	1.3
61.98850	0.9
67.60013	0.4
71.01018	0.9
71.01389	8.0
71.05049	0.4
73.02955	2.6
74.02474	2.1
83.01411	1.3
85.02956	4.1
87.00893	0.5
87.37926	0.4
89.02444	2.2
95.01381	0.5
99.00920	0.9
101.02460	6.3
113.02461	3.6
117.91579	0.4
119.03538	0.7
135.04575	0.8
137.09755	0.5
159.03079	0.5
161.04581	2.9
179.03549	0.5
209.15469	1.1
300.68585	0.4
353.19843	1.6
371.20734	7.6
372.20831	0.8
384.24319	0.6
394.55249	0.4
413.22131	1.1
414.25015	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	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11668	0.4
59.01385	100.0
60.01745	0.7
61.98836	0.7
69.38734	1.6
71.01388	4.1
73.02974	1.4
83.01434	0.6
85.02972	1.8
87.00882	0.7
88.98573	0.5
89.02460	2.2
101.02462	2.2
105.90512	0.4
109.03038	0.5
113.02441	2.1
119.03529	0.9
161.04613	0.8
170.80331	0.4
209.15529	0.7
277.12341	0.9
281.17807	0.7
353.19632	0.8
371.20886	1.7
413.21976	1.0
414.24902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61211	67.9
79.30313	64.3
96.00495	65.6
96.96004	91.2
104.95752	90.6
112.98855	67.6
181.36156	67.8
248.15514	70.2
304.43396	73.4
373.34293	100.0
421.41031	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39525	22.1
59.01379	100.0
61.90173	20.2
83.13704	24.1
96.96036	27.3
98.21889	61.1
133.37717	21.7
142.58661	21.3
155.27731	22.8
262.95486	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	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
70.66135	5.9
79.32832	3.5
82.43229	3.4
111.99992	3.7
118.72025	3.8
162.58633	3.7
164.54167	3.4
167.45778	3.1
272.44266	3.6
302.10229	3.9
321.11884	3.6
413.49243	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	414.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26405	0.6
53.42730	0.7
59.01385	11.1
61.98837	9.2
69.44169	3.3
69.44466	0.6
71.01412	4.1
73.02955	0.8
74.99105	39.3
78.19907	0.7
78.54377	0.6
83.01408	1.3
83.05039	2.7
85.02950	1.4
87.00897	4.9
89.02475	2.8
93.03471	1.6
95.05060	0.9
97.02962	0.7
98.21771	0.6
101.02436	3.3
108.02205	0.9
109.02948	1.3
111.04527	3.1
113.02475	2.0
114.05636	1.3
115.04020	4.9
119.03527	1.6
120.99671	13.2
121.00480	1.1
130.02986	2.0
131.03793	7.0
132.04578	12.0
135.04521	1.8
136.04027	2.2
136.07919	0.7
137.00690	100.0
137.02437	3.8
138.01042	2.9
139.04027	2.3
143.03537	0.6
145.06221	2.0
147.04553	2.0
150.01443	3.0
151.02228	2.0
155.03462	1.0
159.02930	0.9
161.04584	2.0
164.01790	7.9
174.05547	1.3
177.04176	0.7
179.01755	1.8
179.05615	0.8
181.05128	0.8
192.06789	1.1
195.03371	1.8
199.06042	0.6
205.08730	1.1
206.09438	0.6
207.09857	1.1
213.03258	0.6
216.02284	0.6
252.03279	1.1
270.98199	0.6
294.09576	0.9
326.07077	5.8
414.08667	26.1
414.19873	0.8
415.08878	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	414.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82509	0.6
58.15773	0.6
59.01372	1.8
71.01385	0.8
89.02493	0.8
101.02448	0.8
107.03747	1.0
108.02168	1.0
109.02962	0.7
113.02458	0.8
114.70996	0.7
116.01488	0.8
117.02203	1.8
118.03007	3.3
135.03265	2.8
144.00908	1.9
145.01810	1.0
145.02953	5.5
146.02505	4.7
147.03299	3.2
149.02446	3.0
151.03992	1.3
159.04543	1.0
161.01176	4.4
161.02455	3.7
161.04773	0.7
162.01988	1.1
163.00345	4.2
164.01271	0.7
164.03500	2.5
164.04819	3.4
174.02008	4.7
176.03534	63.3
176.04741	2.2
177.01917	0.8
177.03963	3.0
179.03531	4.4
179.07133	2.7
190.01437	1.7
190.99887	13.9
192.00648	12.6
193.01414	1.5
194.05803	3.7
200.85210	0.8
202.05069	9.2
204.03014	100.0
205.03700	20.0
206.02194	14.1
206.04529	8.5
207.03020	6.7
207.04811	1.3
209.08191	5.2
210.71545	0.7
217.04997	0.7
219.06528	3.0
247.06194	0.9
256.22479	0.7
338.42203	0.7
354.09872	1.7
371.11267	3.6
384.10895	10.6
385.11127	0.8
396.10806	3.9
415.10330	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	414.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
61.98835	100.0
69.25583	2.4
69.25991	3.7
71.01396	2.4
76.61770	0.9
86.20155	1.1
89.02462	1.8
108.02195	3.5
109.02982	3.8
118.98087	1.5
121.02956	15.6
125.02431	1.4
137.02461	1.1
146.93497	1.0
152.01155	3.8
153.01988	1.3
167.03549	1.7
179.03485	1.7
253.10951	1.2
253.47675	1.2
414.23557	1.1
415.11905	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	414.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75546	0.4
61.98837	100.0
63.09358	0.4
71.41947	0.4
120.39791	0.5
125.16076	0.4
142.53824	0.4
153.41183	0.5
180.81610	0.4
211.13445	1.7
227.51488	0.4
229.14496	0.7
329.23331	5.8
330.23816	0.5
338.36420	0.5
341.23450	0.6
414.20969	8.2
415.21490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.80836	11.7
71.01386	47.6
73.02924	7.0
77.47915	6.3
82.49085	5.9
83.17722	5.9
85.02972	15.4
86.59925	6.6
86.60477	7.5
89.02447	55.1
101.02478	30.0
113.02452	16.5
119.03506	22.3
143.16190	6.3
161.04523	12.3
179.05589	8.1
193.01357	8.4
194.22205	7.8
208.78876	6.1
371.20770	16.3
408.61752	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	414.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.4
57.03442	5.3
59.01384	100.0
61.98809	3.1
64.41267	3.0
68.07307	2.7
71.01384	75.1
73.02974	14.0
83.01392	7.3
85.02957	24.3
87.00887	6.3
89.02448	45.4
91.71728	2.8
93.03448	3.7
95.01396	4.0
98.22598	10.3
99.00872	4.7
101.02449	42.7
113.02445	30.0
113.46824	2.8
119.03512	24.0
125.02495	3.9
131.03711	5.9
143.03581	4.0
161.04544	25.2
169.89456	3.1
179.05650	4.6
252.06590	3.8
272.10773	3.3
307.09641	3.4
353.19687	13.5
354.05930	5.0
371.20926	6.3
382.68628	3.5
414.24539	5.0
415.19678	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	414.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.33263	11.6
62.12552	10.0
65.68900	10.2
71.01395	63.1
71.44066	9.8
73.02927	12.7
74.02463	25.6
87.00896	23.3
89.02457	39.0
91.84035	9.9
92.75201	11.1
101.02455	37.6
114.05663	13.6
119.03528	28.0
121.02951	30.6
125.02455	16.6
133.02951	20.1
135.04523	22.2
137.02422	19.4
149.00909	17.7
154.63232	11.0
157.05356	10.0
160.04018	28.0
160.50795	9.6
161.02489	14.3
169.12328	14.2
179.03493	20.6
283.15573	18.8
293.08826	13.9
415.19580	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17579	53.8
61.86895	65.6
64.01039	57.8
70.01133	75.6
70.01442	100.0
88.74928	55.7
89.51668	57.4
128.87723	62.6
157.32283	66.1
165.22366	58.9
169.43599	56.0
254.98425	50.8
319.35309	56.9
395.64120	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54869	19.5
60.28221	17.6
61.98834	32.4
69.38451	100.0
74.45647	17.4
76.05487	17.5
96.96005	48.0
98.22667	39.6
99.92651	23.2
116.92944	23.3
150.85982	21.9
225.17087	19.8
280.82281	22.0
365.58728	24.0
404.35883	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29312	4.1
54.78768	4.8
61.98838	8.8
63.97378	4.4
69.55450	9.6
69.55804	13.7
77.00657	18.3
78.46014	4.6
82.40498	5.0
85.11280	5.4
96.00914	10.6
96.96010	39.1
99.92589	100.0
115.92088	15.3
116.92857	14.2
118.89987	88.2
134.89548	5.9
135.90228	23.4
147.46959	6.6
172.69464	4.7
193.70949	6.1
204.87125	5.2
337.21738	39.3
378.14822	16.2
414.12775	82.2
414.18896	7.7
415.13034	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	414.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18467	2.4
61.29759	2.3
61.98803	3.2
69.63052	10.0
87.04515	4.3
94.92493	4.0
96.96017	100.0
96.96980	6.5
99.92593	49.9
100.92592	3.3
115.92082	8.5
116.42941	2.3
116.92886	10.1
118.89993	45.2
119.90747	8.1
134.89493	35.0
135.90239	12.1
158.59529	2.8
174.99217	2.7
203.64453	2.8
274.27695	2.4
275.13220	2.5
355.87088	2.5
360.14005	19.1
361.14264	2.8
378.10684	5.2
378.14987	29.9
379.15137	7.3
414.12585	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	414.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11733	13.4
58.58406	10.7
61.98838	15.8
69.47253	62.1
83.99702	14.3
86.66250	12.4
92.92775	13.9
96.96021	36.6
98.22602	15.1
99.92577	80.4
116.92918	11.5
118.89995	100.0
134.89565	15.1
135.90271	23.7
162.23941	14.7
279.26990	16.4
339.99359	14.7
341.26855	21.1
362.12775	12.3
414.12640	88.6
415.13150	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	415.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.5
61.98830	3.3
69.03465	1.7
69.23564	5.2
71.01383	3.1
71.05028	12.9
72.99305	2.2
75.36385	1.0
89.02466	3.3
93.03468	1.0
97.02937	6.0
98.22649	1.5
101.02435	3.0
113.02482	1.9
115.04021	41.9
115.31287	0.9
117.00468	2.8
120.99637	1.0
129.04109	3.0
130.92998	1.0
131.02020	1.7
131.32703	0.9
137.02477	1.2
139.04042	1.6
143.00310	1.1
153.04126	3.3
155.02019	10.1
156.02217	1.6
157.01752	1.6
159.01477	1.3
160.88403	1.1
169.03616	3.4
170.99788	12.2
171.03670	1.7
171.05151	23.5
172.05309	3.3
174.99268	7.4
185.01311	10.8
187.02934	7.8
193.05040	1.0
197.03070	72.4
198.03188	7.4
199.02866	1.9
201.02544	6.9
213.00829	100.0
214.01198	2.5
217.00316	15.6
237.09174	1.0
246.99777	1.3
257.05219	10.5
273.02945	54.1
274.03195	2.9
274.99445	2.4
289.00864	2.9
311.07129	1.3
337.04736	2.0
355.01978	55.7
356.02133	8.0
415.03726	1.7
415.09250	1.8
415.14401	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	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00189	0.4
59.01387	3.4
61.98836	100.0
71.01397	1.1
73.20847	0.4
89.02456	0.6
93.87397	0.5
98.21899	1.2
100.27695	0.5
101.02460	0.5
109.02975	1.2
113.02501	0.5
121.02984	0.8
129.10332	0.5
130.08803	0.9
137.02504	0.4
152.01141	0.6
153.01991	0.8
157.13521	0.4
161.04578	0.5
161.67902	0.4
194.09470	2.2
209.11829	2.2
285.19260	0.6
290.95618	0.5
321.70975	0.5
352.09879	0.5
371.23154	1.6
380.18433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56959	0.7
58.70975	0.9
59.01375	7.8
60.81574	0.8
66.68098	0.8
69.03445	0.9
70.82494	0.8
71.01390	4.9
71.41743	0.9
73.02929	2.5
79.01889	1.0
83.01347	1.0
85.02959	2.2
89.02428	3.7
93.03445	1.3
94.70765	1.0
95.05045	0.9
101.02437	3.3
107.01369	4.9
113.02500	0.9
115.61637	0.9
117.03498	2.1
119.03507	1.8
121.03003	1.4
123.00890	1.9
135.00885	7.8
147.00916	0.9
148.01653	1.1
149.02425	2.8
150.03214	1.2
151.00359	3.5
151.02626	0.8
151.03979	1.9
161.02470	1.6
161.04549	1.8
163.00397	15.8
164.01094	2.4
175.00377	1.0
179.03410	1.5
190.99866	58.2
192.00645	59.4
193.01408	15.1
194.05835	2.7
205.01376	2.0
206.02206	82.2
207.02974	42.5
208.03320	2.9
209.08221	7.3
222.01653	1.1
239.03471	3.6
240.04291	4.5
267.03058	1.2
268.03775	100.0
269.04404	17.9
291.93445	0.9
335.38248	1.0
353.48950	1.0
415.10321	99.4
416.10764	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	415.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47535	0.9
53.45640	0.9
59.01386	17.8
61.98825	1.2
71.01379	6.4
73.02953	2.5
74.02493	5.9
83.01423	1.3
85.02990	1.5
89.02468	3.1
98.21873	2.4
101.02480	3.3
102.90356	1.0
108.02202	1.2
109.02966	9.8
113.02464	2.9
117.03436	1.9
121.02959	2.5
121.14905	0.9
125.02439	1.1
133.03001	1.4
134.03716	1.3
135.00894	1.1
135.04572	1.2
139.04111	1.5
141.61992	1.0
145.02969	100.0
146.03786	16.8
147.04529	2.8
151.04008	6.6
158.03708	1.9
159.04541	8.3
160.05222	2.4
161.02477	3.9
163.00414	3.0
173.02452	5.9
174.03168	1.9
175.04057	3.5
189.01917	3.5
189.05585	1.2
190.02768	7.2
190.41914	1.0
190.99879	8.3
192.00624	9.2
193.01369	2.0
203.03494	4.4
204.04265	24.8
205.05058	31.3
206.02206	12.7
207.03018	6.3
217.01421	1.4
217.05078	4.5
219.03409	6.1
219.06638	62.5
220.03792	2.1
220.06924	4.7
225.05556	2.9
229.01448	5.4
231.03026	3.2
232.03783	9.7
233.04434	1.2
234.05354	3.7
235.06111	2.6
237.05600	2.1
246.05334	2.2
247.06119	15.2
248.06419	1.3
253.05040	4.0
261.07632	1.9
263.03571	2.1
264.04330	2.0
265.05045	5.0
266.05948	1.1
281.04596	10.5
282.05316	3.9
283.19061	1.1
293.04419	1.7
295.06619	1.2
296.06918	5.0
297.07703	2.5
309.04147	2.2
311.09216	2.6
323.05389	1.4
324.06451	1.2
339.08823	5.3
340.05957	1.3
341.06653	2.2
355.08340	3.5
356.08954	5.3
357.09494	1.6
371.11389	72.3
372.11765	8.8
383.07632	12.6
414.24957	1.1
415.10208	7.8
415.25043	4.7
416.26663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03178	1.0
59.01390	8.9
61.98844	1.9
63.46587	0.9
69.03462	2.8
69.85201	3.4
71.01382	2.5
71.05015	8.5
72.99312	2.3
89.02453	2.2
93.03468	47.4
94.03802	2.2
97.02976	2.9
113.02489	2.4
113.57841	0.9
115.03186	1.6
115.04022	31.8
135.04555	1.8
137.02460	100.0
138.02818	3.6
155.02048	2.1
165.95998	1.0
170.99789	2.6
171.05177	5.9
174.99216	1.6
179.05496	1.4
185.01347	3.1
187.03008	1.4
197.03078	14.9
198.03174	1.2
201.02510	1.8
213.00835	21.6
217.00217	2.3
233.18347	0.9
257.05154	1.9
273.03024	7.9
299.07733	2.8
355.01614	9.4
415.14047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.5
61.98836	5.7
69.46958	2.6
69.47348	2.0
71.01379	4.9
73.02959	2.6
74.02499	1.3
81.03458	2.0
82.57970	0.9
85.02975	4.9
87.00893	1.3
89.02468	1.5
93.03457	1.2
95.01409	0.9
96.00941	2.2
98.02485	3.2
101.02487	4.1
108.02184	92.9
108.23750	0.9
109.02967	87.9
110.03277	2.3
113.02470	2.6
113.03519	1.2
115.00378	1.0
117.05597	1.5
121.02970	3.4
123.04530	2.9
130.08755	6.7
135.04504	0.9
137.02457	1.3
151.04010	1.5
152.01166	89.2
153.01949	35.3
154.02264	1.2
161.04631	2.0
163.04042	2.4
165.01936	1.8
167.03468	4.3
179.03568	0.8
181.13408	0.9
181.96609	0.8
209.11859	1.1
229.15562	1.3
235.13600	1.1
264.31339	1.0
297.06192	1.7
315.07455	4.2
357.08301	12.1
358.08737	1.2
380.18292	8.4
397.11288	7.3
397.20728	2.6
398.19748	0.9
403.70184	1.0
403.75592	0.9
415.12482	100.0
416.12756	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	415.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09859	0.3
56.56203	0.2
59.01390	4.3
61.98828	0.5
69.03470	0.3
70.02268	0.5
70.02605	0.6
71.01389	3.9
71.05016	0.5
73.02959	0.4
77.03979	0.4
80.33693	0.3
83.05035	1.0
85.02965	0.7
86.88392	0.3
89.02457	4.7
93.03456	0.3
97.02959	0.7
101.02463	1.4
104.78355	0.3
106.20975	0.3
107.05029	0.3
108.02188	4.0
109.02970	6.3
111.04533	0.8
112.20341	0.3
112.98847	0.3
113.02452	0.9
113.42622	0.3
115.03987	1.6
119.03580	0.3
121.02972	100.0
122.03307	3.7
124.70676	0.3
125.02475	0.8
129.10388	0.6
131.03526	1.2
133.03059	0.3
135.00891	0.5
135.04547	0.6
137.02469	1.1
139.04030	0.5
149.04562	1.4
152.01181	3.7
153.01958	5.2
161.04572	0.4
163.04041	0.4
166.03372	0.3
167.03548	0.4
179.03400	0.3
191.05649	0.6
193.05037	0.5
194.49048	0.2
213.81798	0.3
213.94327	0.3
267.09741	0.4
293.08920	1.4
310.07343	0.3
315.07172	0.3
350.93094	0.3
357.08252	0.8
397.11307	0.3
415.12402	6.1
415.21698	0.5
416.13147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59856	0.5
57.03443	1.1
59.01121	0.9
59.01389	11.8
69.78169	1.2
69.78528	1.4
71.01390	8.6
72.99312	0.7
73.02950	2.2
83.01395	1.1
85.02941	3.1
87.00896	1.1
89.02458	5.4
91.04027	1.3
93.03481	1.5
95.01413	1.2
96.34292	0.6
98.22577	0.8
99.00928	0.6
101.02464	8.7
107.05033	1.6
108.02207	1.2
109.02956	1.3
111.04505	0.7
113.02469	4.1
116.07161	0.7
117.03503	1.8
119.03509	1.3
120.51258	0.5
121.02966	3.2
123.04560	0.8
125.02419	1.2
127.05157	0.8
128.03540	0.6
131.03484	0.5
132.02202	1.6
133.02972	22.9
134.03790	6.7
135.04543	95.2
136.04865	4.3
137.02472	3.3
147.04558	0.9
152.01144	1.2
161.02464	77.2
161.04611	2.3
162.02829	3.9
163.04053	1.4
173.06091	1.1
175.04056	0.7
179.03517	45.2
180.03886	2.6
191.01688	0.8
191.05597	2.2
200.75188	0.6
202.89354	0.6
209.02826	4.0
216.10310	0.6
218.29326	0.5
223.06123	0.6
235.06172	0.9
253.01741	2.1
253.07155	1.5
253.14464	0.5
295.02859	1.6
325.04114	0.6
392.44238	0.6
397.20950	0.8
415.12469	100.0
416.12830	10.4
437.28494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79710	0.6
55.01878	2.2
57.01696	0.8
57.03455	1.6
58.00605	1.4
59.01384	100.0
67.38699	0.8
69.03461	2.5
69.15587	0.7
71.01389	57.8
71.03169	0.6
72.99323	1.8
73.02951	5.5
75.00871	1.1
81.03470	2.8
81.40188	0.7
83.01400	4.8
85.02959	12.2
87.00889	9.6
89.02455	60.2
90.02821	0.8
91.04030	1.7
95.01399	2.7
97.02951	6.3
99.00895	2.3
101.02454	46.8
101.57650	0.7
113.02466	21.1
119.03513	20.3
125.02465	11.2
131.03537	3.6
143.03520	8.0
149.04568	1.8
151.66560	0.7
153.15552	0.7
157.32050	0.6
161.04576	9.2
166.27415	0.8
170.13445	0.7
179.05634	20.3
180.05887	1.0
185.04572	0.9
202.51782	0.7
221.06631	4.8
235.08226	10.3
253.09306	6.9
263.07758	4.9
286.11685	0.8
287.07828	1.9
305.08893	2.3
313.55594	0.8
323.09637	1.4
335.61435	0.9
389.02570	0.8
397.13907	0.8
415.14587	75.9
416.15002	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	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80983	0.4
57.98100	0.5
59.01382	5.3
61.98817	0.7
64.22592	0.4
64.99069	0.4
71.01395	4.9
73.02960	1.2
74.02487	1.0
76.16705	0.5
82.02992	0.8
85.02951	1.4
87.00895	0.5
87.05650	1.0
89.02448	2.0
99.00867	0.5
101.02448	2.2
105.01889	0.5
106.46220	0.4
107.05104	0.5
113.02437	1.1
119.03510	0.6
119.05094	0.5
121.02955	3.7
125.02448	0.5
127.05144	0.6
127.95135	0.4
128.03534	0.5
129.06731	0.5
129.10393	0.6
129.75017	0.4
133.02971	1.1
135.04541	5.1
137.02434	1.1
145.02965	2.0
146.03755	59.2
147.04160	2.7
151.04036	0.9
161.02467	2.1
161.04771	0.8
161.06099	17.4
162.06451	1.1
163.04030	1.7
164.04819	38.9
165.05200	1.4
179.03716	1.9
179.07155	100.0
180.07524	4.6
191.05602	0.6
193.05055	1.1
193.53038	0.5
267.09879	1.7
309.14783	0.7
343.88943	0.5
389.73938	0.4
397.21277	1.1
415.12332	4.0
415.22021	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1614
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	3.6
57.03446	3.8
58.00597	1.4
59.01385	100.0
60.01727	1.1
69.03467	2.2
69.08945	4.5
69.38885	0.6
70.00059	0.6
71.01389	88.7
72.01726	0.9
72.89204	0.8
72.99329	2.4
73.02952	23.1
75.00866	0.8
76.57713	0.6
81.03484	1.5
83.01396	9.5
84.56251	0.6
85.02955	23.4
86.00107	1.5
86.27898	0.6
87.00880	7.0
89.02456	82.5
90.02816	1.5
93.71822	0.7
95.01397	2.7
97.02969	4.8
98.21847	0.9
99.00905	6.1
99.72571	0.6
101.02453	63.2
102.02813	1.5
109.02943	0.8
111.00913	5.1
113.02470	21.0
115.04036	2.7
119.03521	4.2
121.03017	0.8
123.04535	1.4
125.02476	6.4
129.01950	0.8
131.03519	40.0
132.03813	0.9
143.03525	4.7
149.04567	35.5
150.04893	0.9
153.05609	2.3
157.79350	0.7
159.03026	3.5
161.04578	25.4
173.04640	1.1
191.05643	9.8
196.07452	1.5
208.24861	0.6
211.09799	1.2
233.06616	5.0
253.03650	0.8
265.10696	0.9
283.11905	36.2
284.12268	2.4
293.08847	1.6
383.09213	0.8
401.70169	0.8
415.16156	30.4
416.16299	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	415.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	12.1
59.01388	100.0
65.91165	6.1
66.09371	5.7
69.35940	5.8
71.01386	47.0
73.02940	10.3
83.05027	16.4
85.01556	5.7
85.02957	17.0
87.00886	16.3
89.02438	33.1
101.02437	32.4
103.00365	8.8
112.98804	7.2
113.02438	15.6
113.99606	6.2
115.30247	5.7
117.05600	11.7
119.03489	18.9
130.35226	6.8
135.04503	10.1
149.00888	16.8
153.01923	6.7
160.04080	7.2
170.37610	6.6
173.13393	9.4
192.26741	6.1
209.96303	6.7
235.13431	11.8
242.64642	5.9
243.17064	6.6
253.10815	6.9
283.15579	9.8
353.20886	7.3
415.19757	32.0
415.24442	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83407	0.8
58.02969	1.8
59.01385	1.6
62.40639	1.0
66.03507	1.1
66.34995	1.0
70.99448	1.3
71.01396	1.9
73.04073	1.3
74.02486	34.6
82.03006	2.9
82.06604	2.0
84.04553	2.0
85.04044	0.9
93.03480	1.6
99.05714	1.0
100.04073	1.5
101.06611	1.7
101.07223	20.8
109.02961	1.3
109.04095	10.3
112.02804	4.6
112.04034	2.2
116.07193	3.7
125.03560	2.9
126.05620	3.4
126.09334	1.2
127.05153	45.9
128.03537	1.7
128.05458	1.5
129.10362	24.8
130.08783	1.3
132.84732	0.9
135.04504	2.7
136.11360	1.0
137.02434	1.3
139.08783	3.7
140.07167	3.2
140.60301	1.0
141.06721	2.4
145.06213	41.9
146.83681	1.0
146.98726	0.9
152.01143	1.0
155.08266	4.9
173.09352	9.5
179.03462	1.2
179.11925	3.3
180.08905	1.3
180.10292	5.5
181.13557	1.3
183.15062	2.0
194.12044	0.9
195.11435	1.7
197.12952	2.3
207.15102	2.2
211.14493	2.2
222.12502	2.7
223.10907	3.2
225.16013	1.0
240.13580	1.9
241.12100	2.2
242.18762	12.5
251.14063	3.2
253.07257	1.3
254.15141	2.3
278.18796	3.1
286.17767	1.2
340.18799	3.7
353.21924	8.4
397.20963	46.0
398.21469	3.5
415.22025	100.0
416.22348	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51229	1.4
58.02968	1.2
58.66099	1.2
59.01399	7.1
59.42209	1.1
61.98837	2.3
71.01379	5.2
73.04073	3.2
74.02480	32.2
82.02983	2.4
82.06610	1.9
84.04507	2.1
86.19685	1.2
87.05674	2.4
88.04034	1.5
89.02401	1.5
93.03438	1.8
95.01395	1.7
101.07216	18.6
107.05064	2.8
108.02176	3.6
109.02950	4.5
109.04101	9.1
112.02797	4.2
113.03587	1.7
115.00380	2.1
116.07162	4.2
121.02946	3.5
122.36512	1.5
123.04550	2.1
125.03558	3.5
126.09255	1.9
127.05149	36.3
128.03539	5.3
129.10359	24.5
130.08713	2.6
132.99858	1.3
133.02945	2.9
135.03659	1.7
135.04489	8.6
137.02461	1.9
139.08827	3.8
140.07225	3.0
141.06699	3.5
143.04988	2.7
144.05937	1.4
145.06206	43.0
146.06551	1.4
151.04056	9.7
151.05055	1.5
152.01167	4.1
153.01883	2.1
155.08261	2.4
157.06624	1.8
159.08176	6.6
161.02393	1.3
161.04518	1.8
165.10323	1.3
168.04349	2.2
169.09851	2.4
169.13493	1.6
173.09346	9.6
179.03516	8.0
179.07127	2.1
179.11894	2.0
180.10336	4.6
181.13550	1.5
185.06256	1.3
191.10875	1.4
195.07986	2.0
195.11383	1.5
197.12971	2.9
203.07275	2.1
207.15047	1.6
211.14389	1.7
216.99135	2.2
222.12451	4.0
223.10954	3.2
242.18752	14.8
247.05998	1.5
251.14142	1.9
253.07233	8.4
256.20285	1.7
264.79242	1.5
277.05234	1.8
278.18665	2.4
281.19922	1.5
286.17645	2.7
288.43607	1.3
299.20847	1.6
300.19394	1.9
321.07617	1.6
340.18842	4.1
349.99191	1.3
353.10516	2.1
353.21860	5.3
397.20935	48.9
398.21161	5.0
415.12488	6.5
415.21988	100.0
416.22263	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	415.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13127	0.5
58.45071	0.4
71.43029	0.5
73.32890	0.4
74.99100	6.4
77.00671	76.5
78.01006	0.5
78.95921	0.7
108.71603	0.5
126.47246	0.5
147.08176	2.0
149.09708	1.7
161.09720	1.1
163.11316	3.3
187.11351	2.6
203.10652	0.5
265.12253	0.7
272.88867	0.5
279.13809	0.9
280.14764	1.1
287.22394	0.5
307.16742	0.5
309.22198	1.8
321.18448	0.6
322.19449	0.8
337.21750	100.0
338.22095	11.4
415.23193	10.2
416.23398	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.4
59.01384	100.0
60.01699	1.6
69.03464	1.1
69.34560	5.0
71.01386	25.4
71.05032	1.0
72.99313	1.2
73.02953	19.5
75.04361	0.9
81.03464	1.2
83.01385	3.4
83.05035	1.4
84.31831	0.9
85.02964	6.3
87.00889	1.4
87.74157	0.9
89.02446	12.8
95.01408	2.1
97.02924	1.0
97.21762	0.8
98.21957	1.8
99.00867	1.6
99.04521	2.5
100.20760	0.9
101.02451	18.8
109.52481	0.9
113.02457	12.1
113.04208	0.9
119.03516	4.2
121.18744	0.9
131.03528	1.7
161.04591	6.1
179.05551	1.3
230.67590	0.9
254.94041	0.9
264.03012	1.3
407.05377	0.9
414.19821	1.2
415.23337	2.0
416.07690	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	415.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.5
55.55440	0.6
56.99819	0.6
57.03455	1.7
58.00586	0.8
59.01385	100.0
59.38015	0.6
60.01739	1.0
61.98816	0.5
68.99764	0.5
69.10499	4.3
71.01391	58.0
72.01716	0.8
72.99319	2.4
73.02966	4.3
83.01409	2.7
85.02965	10.0
87.00896	2.9
89.02455	61.3
90.02795	0.8
95.01410	4.1
99.00886	1.2
101.02455	33.1
102.02796	1.1
108.02225	0.8
113.02467	22.2
113.91444	0.6
114.02799	0.9
119.03517	24.3
121.02969	0.7
123.04587	0.8
124.01683	0.9
125.02448	4.0
131.03542	2.0
135.04581	0.8
137.02530	1.0
143.03532	3.8
149.04575	1.9
149.99617	1.6
152.01318	0.5
161.02533	1.1
161.04573	5.4
162.03224	4.8
167.03529	1.7
168.00722	2.5
177.05605	1.2
179.05640	4.3
193.05011	0.6
200.10851	0.9
221.04645	2.1
237.04155	1.2
244.15860	0.7
253.05205	0.6
283.19446	0.7
385.09665	1.0
415.12106	3.8
415.23615	4.4
416.07550	0.8
417.48288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
57.03463	0.3
59.01384	100.0
60.01724	1.2
61.69162	0.2
69.62018	0.8
71.01392	2.5
72.99305	0.2
73.02964	0.8
73.86115	0.2
83.01387	0.2
85.02943	1.2
87.00901	0.3
89.02460	1.1
98.21828	0.2
101.02441	1.3
104.46975	0.2
113.02448	1.1
119.03504	0.2
120.32985	0.2
139.11287	0.3
160.04089	0.3
161.04597	0.7
181.12373	0.2
181.28546	0.2
195.78052	0.2
273.50836	0.2
283.15671	0.2
283.19162	0.5
319.78152	0.2
355.21509	0.2
355.25470	0.3
373.22363	0.4
387.27673	1.0
415.19650	0.4
416.21506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80176	3.4
56.43510	4.0
59.01387	100.0
70.77732	4.7
70.78094	4.2
73.02988	4.0
88.40523	3.4
91.73939	3.7
106.93887	3.9
107.49373	3.6
113.70947	4.6
117.51261	3.4
125.24342	3.5
126.90491	12.4
198.13097	3.9
200.05949	3.7
287.75037	3.9
289.08835	3.8
308.23285	3.7
321.98892	4.2
438.07516	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	415.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40584	8.2
53.06195	9.0
59.01383	100.0
70.79420	16.0
104.34564	8.9
105.08115	9.9
135.82874	10.1
143.32562	9.4
153.69775	9.6
187.78621	9.1
248.97551	10.4
415.32245	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	3.8
59.01386	85.9
61.98829	11.6
63.53011	1.8
70.38675	1.9
70.62858	1.8
71.01396	5.4
85.02970	7.8
85.97822	1.9
87.00868	1.6
89.02478	3.4
93.03445	3.0
93.46825	1.7
94.12484	1.7
95.05028	1.8
95.50555	1.9
99.04511	3.1
101.02470	5.4
108.02178	2.9
109.02955	4.6
111.00878	2.2
111.04539	2.1
113.02444	4.8
115.04041	15.1
135.04533	3.7
137.02448	3.2
137.09773	1.8
139.04005	5.4
140.71944	2.0
146.02467	6.4
147.03242	12.5
162.05635	16.9
178.90204	2.2
191.05629	100.0
192.06013	3.4
199.03900	2.2
199.06073	2.8
204.87741	2.2
253.46283	2.0
310.07254	1.9
353.08682	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	416.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52772	4.8
59.01382	27.7
61.72250	4.3
62.49776	4.4
66.20082	4.5
69.59383	23.1
71.01389	19.9
71.05016	7.7
75.00832	5.3
85.02936	8.2
89.02460	8.4
92.89088	5.9
95.05038	25.6
101.02418	8.1
107.05044	6.2
111.04520	6.5
113.02441	22.9
113.06107	7.4
115.04022	100.0
119.03484	12.1
125.06078	11.5
127.15888	4.5
139.04028	51.0
144.58827	5.1
155.20500	5.0
157.05066	7.4
161.04570	7.7
169.05196	6.8
199.06186	9.6
202.40404	5.6
210.12801	5.5
441.40912	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	416.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81671	0.4
57.03438	1.2
59.01374	2.1
69.03456	0.8
69.16250	1.0
69.16647	2.5
71.01385	3.1
71.49087	0.5
73.02925	0.8
78.06290	0.5
81.03458	1.6
83.01408	3.2
85.02951	0.7
88.90295	0.5
89.02451	1.1
93.03466	1.0
95.01379	0.8
95.05041	1.7
97.02965	4.5
101.02491	0.8
108.02183	0.9
109.02961	13.7
110.03321	0.6
121.02959	8.4
122.03314	1.7
123.04533	12.2
125.02463	9.7
135.04523	2.1
137.01418	1.0
137.02452	9.7
137.05202	0.6
138.03207	0.8
139.04027	2.9
145.03006	0.6
146.03734	2.2
149.02460	3.3
149.06096	1.4
150.03174	0.9
151.04024	5.3
159.04530	1.5
160.05336	1.1
161.02484	2.0
161.04706	1.0
161.06096	3.6
162.03201	1.7
163.03961	1.4
164.01151	1.5
164.04791	0.9
165.01891	3.5
165.05563	1.0
166.06374	6.0
166.08685	1.0
167.03545	1.6
168.00687	0.8
173.06030	0.8
175.04063	2.1
175.07674	1.0
177.05600	1.5
179.03555	4.2
179.07185	1.7
180.07497	1.0
181.08739	5.2
187.04030	3.3
188.04773	2.7
199.07571	0.5
201.05609	1.0
202.06332	1.2
203.07143	9.3
204.07442	0.7
205.05074	8.1
212.04855	0.6
217.08653	0.6
220.09824	0.9
221.08157	1.8
227.07227	1.1
231.03047	0.7
235.08093	0.7
245.08203	11.9
246.08557	1.0
247.06133	1.8
264.08780	2.9
289.07208	100.0
290.07556	6.8
293.92010	0.6
328.15567	0.8
372.14395	3.1
416.13422	7.0
417.10181	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	416.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30099	1.0
56.52023	1.0
57.03467	1.7
58.29300	1.0
59.01387	100.0
60.01710	1.9
60.35472	0.9
61.98832	3.9
71.01389	9.3
73.02966	1.1
74.94513	1.0
85.02974	2.3
85.31750	1.0
89.02451	6.8
93.03457	3.4
96.63469	0.9
99.04537	1.8
101.02465	4.1
113.02460	4.1
115.04034	8.7
119.03532	4.7
123.04605	1.1
135.04533	1.8
137.02452	8.7
139.04015	8.1
140.04388	4.0
140.07213	3.1
146.02486	5.1
147.03297	10.4
161.04611	3.3
162.05632	16.5
167.01817	4.9
174.09315	1.4
187.06302	1.1
191.05649	12.8
192.10165	1.2
193.08752	1.2
193.12257	1.2
218.08267	3.7
218.93947	1.0
222.97577	1.0
417.17737	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	416.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98828	39.9
71.01378	54.2
71.45111	11.9
74.63689	9.3
85.02941	16.1
89.02460	33.1
101.02444	38.8
113.02451	20.1
119.03493	14.6
128.03500	12.2
128.39185	9.3
135.04547	17.2
161.02527	11.5
161.04744	9.5
166.02681	12.6
171.10289	17.6
181.04977	13.2
189.99596	12.9
208.99153	23.0
240.00858	9.3
277.09476	10.1
286.86841	8.8
364.51956	9.9
387.10922	12.1
416.23502	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	416.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36507	19.0
59.01384	80.9
61.98838	17.9
69.87114	34.8
69.87497	33.0
71.01377	39.4
83.01407	22.5
84.03014	19.4
87.00890	21.5
101.02444	21.2
101.64429	18.3
105.06481	16.5
109.02950	18.3
122.03337	30.6
123.04486	36.0
125.02409	18.6
130.35307	20.0
133.02937	22.5
146.06107	27.8
167.03517	57.2
179.03453	30.5
255.70126	19.0
273.07700	74.6
320.07782	24.9
417.11966	100.0
439.06702	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	416.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	98.7
61.98843	100.0
69.25552	88.9
71.01389	81.1
75.00876	18.9
82.30069	18.3
85.02968	36.9
89.02438	49.5
98.22681	35.9
101.02468	40.3
109.02968	27.9
113.02457	30.8
147.08115	20.3
159.04524	55.1
161.04590	33.2
234.08772	17.9
265.05106	22.8
269.08261	29.0
373.22122	29.2
416.22357	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	416.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31983	25.7
61.98834	66.7
63.19267	23.8
69.44307	100.0
84.25124	22.3
92.67387	22.2
96.96048	30.5
175.59039	21.3
210.34201	25.5
444.08322	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93171	0.9
59.01388	2.6
69.67205	3.1
71.01380	4.2
83.01392	1.9
85.01466	7.0
94.51267	0.8
98.21930	1.7
98.99393	11.3
99.00925	0.9
101.00960	11.8
102.98885	1.3
113.00961	1.1
117.00459	14.8
118.00574	1.2
125.01004	4.4
126.98907	0.8
127.02489	1.0
139.02562	0.8
141.00456	100.0
142.00552	6.0
143.02026	1.7
144.99945	1.4
146.10278	0.8
151.02547	2.2
153.00439	10.8
155.02014	2.6
157.06987	0.8
160.76514	0.8
167.02058	4.3
168.99991	2.2
171.01515	12.7
172.01602	1.2
183.01543	6.1
189.60999	0.8
195.01498	10.2
201.02563	18.9
202.02754	2.5
213.02663	1.7
237.68758	0.9
243.03575	1.2
261.04672	11.7
274.64859	0.8
357.06799	45.0
358.07147	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	417.1195
Annotation	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
Peak:m/z	Relative Intensity
52.84201	1.0
59.01387	7.8
61.98829	1.1
69.03459	2.8
69.31899	6.5
71.01383	2.2
71.61105	1.4
72.99284	1.2
73.02942	5.2
76.60496	1.1
80.12045	1.2
81.03458	2.9
83.01391	10.0
87.00875	1.9
89.02463	2.6
89.23286	1.2
93.03451	3.5
95.01373	3.4
95.04979	1.9
97.02967	14.8
99.04555	1.1
101.02436	2.4
107.04990	1.9
108.02174	3.3
109.02964	22.6
109.06580	1.5
111.04512	2.6
113.02469	1.4
117.64536	1.3
119.05062	1.3
121.02988	5.9
122.03706	4.2
123.04534	19.6
124.10911	1.1
125.02439	3.5
133.02934	1.9
133.06610	2.4
134.03720	1.5
135.04529	11.0
137.02460	9.5
138.03160	1.6
139.04008	3.7
145.02968	2.1
146.03792	1.7
147.04527	1.9
149.02455	9.1
149.06105	1.5
150.03246	5.4
151.00340	1.7
151.04031	8.1
153.05566	4.3
153.09195	2.1
159.04489	3.0
161.02449	4.4
161.04755	1.2
161.06036	7.2
162.03214	2.9
163.00414	2.8
163.04004	4.8
165.02000	1.8
165.05606	3.2
166.02687	2.2
167.01750	1.4
167.03493	2.8
173.06113	1.3
175.04008	3.5
175.07628	1.8
177.05542	2.4
179.03510	4.7
179.07193	1.8
181.05098	4.2
187.04047	1.3
189.05551	5.2
191.03445	1.5
191.07126	3.5
193.05006	2.7
194.02234	1.6
201.05573	2.3
203.03459	2.7
203.07199	8.9
205.05025	9.0
209.04520	5.2
211.06093	1.3
219.06554	1.8
220.03796	1.7
221.04535	1.6
221.08224	2.6
223.06073	1.7
225.16798	1.2
231.02998	3.0
235.73355	1.3
239.05672	2.7
247.06033	2.5
253.07230	3.2
255.10379	1.2
257.08081	1.4
265.07242	2.7
285.17099	4.4
297.11523	1.4
299.09137	1.9
307.08282	2.3
323.09061	1.3
341.10300	5.6
373.13126	2.0
375.10748	1.8
385.09238	12.5
399.10965	1.8
417.11902	100.0
417.21082	3.0
418.12427	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	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	41.6
61.98827	2.0
65.61669	1.2
71.01403	2.0
71.41927	1.1
74.12915	1.2
85.02968	2.3
105.01923	2.1
108.02185	2.3
109.02960	14.6
121.02986	3.1
122.03787	1.8
123.04537	4.7
125.02431	3.1
127.05132	2.7
137.02438	1.7
138.50342	1.7
145.06226	2.9
147.04482	1.3
149.02496	2.9
150.03236	54.2
151.04004	4.2
152.01218	2.4
153.01927	3.1
153.05562	2.0
161.02507	2.0
162.26471	1.8
163.00357	1.4
165.05577	49.7
166.05907	1.5
167.03505	2.3
179.03593	1.5
180.04298	13.3
181.05000	1.7
191.03539	14.9
195.06638	100.0
196.07016	5.2
213.20886	1.2
213.92969	2.0
220.93822	1.2
236.05354	1.4
246.88031	1.4
246.91394	1.3
279.89859	1.7
307.14276	1.1
319.08276	1.8
355.07919	1.6
392.48267	1.4
417.09213	2.6
417.17505	1.8
417.22473	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	417.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
59.01382	14.1
67.57255	2.3
71.01372	5.0
71.05031	33.5
71.39766	1.8
89.02435	3.4
93.03465	47.7
97.02956	6.7
99.04522	6.4
101.02465	2.6
113.02458	4.3
115.04028	100.0
116.04361	3.0
117.05600	46.0
125.02396	1.8
131.57031	1.8
137.02464	92.5
138.02795	4.1
170.99783	5.0
173.04837	2.2
185.01311	1.9
198.99258	3.0
199.02826	2.8
199.04620	5.0
201.45813	1.7
213.00800	9.1
257.08127	2.0
259.01218	1.8
259.07483	1.8
273.02914	3.5
299.07584	1.7
356.98120	2.2
357.03134	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	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.9
57.03461	1.2
58.00600	2.0
59.01384	100.0
60.01731	1.3
68.89387	0.9
69.03487	1.1
71.01387	55.7
71.42979	1.2
72.01743	1.2
72.99331	1.5
73.02957	9.5
83.01402	2.2
85.02957	8.2
87.00882	4.6
89.02454	98.4
90.02798	1.6
93.03466	20.9
101.02454	42.8
104.48529	0.9
113.02467	10.4
119.03513	9.3
121.74814	0.9
125.02464	1.7
127.05210	1.0
131.03523	28.0
137.02461	54.6
138.02803	1.8
144.33493	0.8
149.04573	79.1
150.04851	1.3
161.04619	2.3
167.03491	0.9
179.05705	1.3
191.05626	15.5
237.11485	2.0
276.19003	0.9
290.12592	0.8
302.16220	0.9
311.10037	2.1
390.89548	0.9
416.22348	1.7
417.12955	4.4
417.17810	3.6
417.22369	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1556
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
55.55347	0.2
58.92779	0.2
59.01386	0.4
65.00328	0.3
69.26022	0.2
70.91748	0.3
71.00372	0.3
71.01374	0.4
81.03471	0.7
85.02968	0.4
93.03466	0.4
95.01411	0.8
95.05037	0.5
107.05038	0.7
108.02174	0.5
109.02975	3.8
111.00867	0.4
116.99519	0.2
121.02959	1.0
122.63238	0.3
123.00894	4.5
123.04485	0.7
124.01654	0.4
125.02501	1.3
131.05067	0.3
133.02983	0.3
135.04561	0.3
136.01672	0.6
137.02458	15.9
138.03185	0.5
139.04002	0.8
147.04482	0.4
149.02443	1.7
150.03195	1.0
151.00386	27.2
151.03983	1.7
152.01186	2.8
152.04816	4.7
153.05490	0.2
159.04515	0.6
161.02502	0.5
162.03214	0.3
163.04039	0.7
164.04855	0.7
165.01920	1.1
166.02728	68.4
167.03380	5.3
173.02528	0.4
175.04007	1.9
176.01044	0.3
177.01953	4.5
177.05585	0.5
178.02667	0.8
179.03500	0.8
179.07150	0.4
181.05081	100.0
182.05423	5.2
184.03877	0.3
189.05562	0.5
190.02711	0.6
190.06335	1.3
191.03511	1.4
192.04320	1.5
193.05096	1.5
195.03000	0.8
203.03560	0.6
204.04330	0.3
205.05087	1.1
205.08676	2.2
206.05666	0.3
207.06628	1.4
209.04512	0.4
211.04071	0.6
217.04956	0.4
219.06668	0.7
220.07327	0.3
221.04463	0.3
225.05634	0.3
226.06537	0.3
231.79085	0.3
233.08333	0.3
236.06847	0.3
241.08862	0.3
269.04675	0.3
301.07108	0.7
314.08008	0.3
316.09399	0.3
329.06635	0.7
329.10321	0.6
341.10513	0.4
357.09814	0.6
359.11362	2.7
369.09875	0.4
371.15033	0.8
387.10861	16.9
388.11279	1.9
402.07846	0.5
402.13232	12.4
403.13312	1.7
417.15585	26.6
418.16016	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1554
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
59.01371	1.1
61.60581	0.2
67.01888	0.4
68.99818	0.2
69.03438	0.3
70.62267	0.4
71.01378	0.9
81.03442	0.4
83.01379	0.3
84.02153	0.3
85.02944	0.4
89.02440	0.3
89.11497	0.2
93.03510	0.4
95.01401	1.1
95.05025	0.3
97.02959	0.3
101.02437	0.4
107.05046	0.6
108.02201	0.7
109.02969	4.7
111.00855	0.5
121.02971	1.1
121.06593	0.3
123.00011	0.3
123.00897	5.0
123.04526	0.8
124.01679	0.7
125.02458	1.0
131.05043	0.2
133.02951	0.6
135.04547	0.5
136.01674	0.6
137.02455	16.4
138.02911	0.7
139.03993	1.0
145.02960	0.5
147.04561	0.5
149.02473	1.5
149.06058	0.5
150.03239	0.7
151.00378	29.9
151.03970	1.6
152.01134	3.0
152.04803	3.8
153.01859	0.2
153.05559	0.5
159.04504	0.7
160.05269	0.3
161.02492	0.4
163.04010	0.6
164.04814	0.5
165.01901	1.4
166.02721	75.5
167.03441	5.5
173.02440	0.5
174.03159	0.3
175.03996	1.6
175.07698	0.4
177.01961	4.8
177.05586	0.6
178.02637	0.7
179.03539	0.8
179.07161	0.2
181.05075	100.0
181.35915	0.2
181.62666	0.2
182.05406	4.9
184.03780	0.4
187.03998	0.3
188.04861	0.3
189.05647	0.5
190.02773	0.6
190.06340	1.3
191.03462	1.7
192.04295	1.8
193.05109	1.3
195.02963	0.9
203.03558	0.7
204.04150	0.4
205.05035	1.5
205.08713	2.1
205.10532	0.3
206.05795	0.3
207.06642	1.4
209.04526	0.4
217.05080	0.5
218.05737	0.3
219.06618	0.6
220.07353	0.3
236.06827	0.4
243.06664	0.3
253.05101	0.3
255.06462	0.2
283.05988	0.3
301.07162	0.5
314.07858	0.4
329.10309	0.8
341.10254	0.3
344.08899	0.3
357.09937	0.6
359.11325	2.4
360.11447	0.3
371.15115	0.9
387.10855	18.2
387.44470	0.3
388.11136	1.7
402.13211	13.1
403.13400	1.6
417.15598	25.9
417.20081	0.9
418.15982	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	417.156
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
59.01379	6.7
63.49800	1.2
67.42670	1.1
69.33801	4.3
70.21455	1.1
71.01366	2.3
85.02950	3.0
89.02441	2.7
90.46011	1.6
95.01392	2.7
96.86133	1.0
100.62026	1.1
109.02956	5.6
120.99658	4.3
121.02979	2.8
123.00889	5.4
124.01685	2.5
125.02481	1.4
133.02969	1.7
134.03745	1.4
137.02458	19.7
138.03177	1.3
139.00356	3.7
139.03976	2.1
140.64680	1.2
149.02480	3.0
151.00378	35.6
151.04007	3.1
152.01169	12.6
152.04779	3.9
153.01959	6.6
153.05600	1.4
154.02734	2.0
159.04509	1.6
161.02440	2.6
165.01929	2.2
166.02731	76.9
167.03488	16.4
168.04230	3.3
169.05020	1.5
173.02370	1.6
175.04034	2.2
175.59264	1.2
177.01894	5.4
177.05525	1.4
178.02686	2.3
179.03488	1.3
181.05086	100.0
182.05460	4.6
187.03929	1.8
189.02089	1.7
190.02718	3.4
190.06444	1.4
191.03407	2.9
192.04251	2.8
193.04929	2.3
203.03587	2.1
204.04311	1.6
205.05054	4.9
205.08813	1.7
207.06628	2.5
217.05034	1.7
233.04904	1.1
238.14093	1.1
275.09421	1.6
359.11487	2.6
385.09103	1.6
387.10849	18.4
388.10953	1.6
402.09592	1.2
402.13382	13.0
403.13464	1.4
417.15820	24.2
417.20834	1.0
418.15851	3.0
437.06531	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	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.8
57.03442	4.1
59.01387	87.3
69.03511	1.1
71.01392	44.4
71.40701	1.2
72.01736	1.4
73.02994	5.2
73.75889	0.9
79.25384	0.9
83.01404	3.2
83.05013	1.2
85.02958	10.9
85.06589	1.5
87.00872	2.6
87.05724	1.0
89.02454	27.4
90.02820	1.2
93.03447	2.7
95.01397	3.8
99.00892	2.5
101.02453	27.0
107.05106	0.9
111.04533	3.7
111.08165	6.2
113.02463	15.0
119.03544	11.6
121.02967	11.6
122.03345	3.3
123.03450	1.3
130.08780	1.4
131.03516	1.7
137.02484	8.0
139.07660	7.4
143.03494	1.7
149.04631	1.4
151.11374	1.3
159.03006	2.4
161.04558	13.3
165.05620	1.4
166.06334	1.5
175.11241	1.0
177.14098	1.0
181.05096	1.2
181.08702	1.3
183.65950	1.1
191.05580	1.4
193.12355	20.6
194.12547	1.4
195.10107	1.2
211.13376	4.1
237.11362	26.7
238.11588	1.5
285.13525	2.6
285.16934	1.1
301.97232	1.0
357.15579	4.3
373.18814	9.6
374.19110	1.4
417.17722	100.0
418.13010	2.0
418.17990	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36932	0.3
55.01873	0.7
57.01823	0.3
57.03441	1.2
59.01382	24.7
61.98815	0.4
67.48697	0.4
69.03446	0.7
71.01385	15.9
72.99304	0.5
73.02950	6.0
75.27126	0.4
81.03458	0.8
83.01395	2.1
85.02956	5.1
85.06631	0.6
87.00871	0.7
88.06946	0.3
89.02449	6.2
91.01941	0.4
91.05762	0.3
93.03468	1.0
95.01403	1.6
95.05019	0.5
97.02959	1.2
99.00887	1.5
101.02451	10.2
103.03999	1.9
108.02187	1.4
109.02959	87.3
110.03278	3.0
112.34225	0.4
113.02459	5.7
115.04016	0.8
119.03508	2.7
121.02959	23.0
122.03297	0.7
123.04535	1.1
124.01672	1.4
125.02444	5.6
133.02966	0.5
133.05067	3.4
135.04521	3.2
137.02467	1.0
137.06047	0.4
143.03522	1.3
149.02391	0.5
149.99596	1.8
151.00290	0.4
151.07619	0.4
151.11295	0.8
157.05042	0.9
159.03003	1.2
161.02562	0.6
161.04575	7.2
162.04965	0.4
163.06169	0.5
165.01900	0.8
165.05646	0.4
166.06361	100.0
167.06685	5.0
168.00630	3.1
169.01312	1.0
175.03993	0.5
175.07613	0.6
177.09251	2.1
179.03455	0.5
179.05620	1.0
179.07129	0.6
181.08716	86.3
182.09058	4.6
195.10280	1.4
205.05104	0.5
219.06560	0.5
235.08253	4.0
251.63493	0.3
289.07169	1.0
290.07520	1.4
343.13953	5.4
344.14386	0.5
357.15588	0.7
382.90646	0.4
417.09854	5.2
417.17389	1.4
417.22235	0.6
426.74323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03452	1.1
59.01384	8.3
61.98842	0.4
69.03445	0.4
70.64928	0.2
71.01387	10.7
72.01729	0.3
72.99313	0.4
73.02950	4.7
75.00854	0.3
81.03447	0.4
83.01386	1.3
85.02960	4.0
87.00903	0.3
89.02452	2.9
93.03458	0.4
95.01397	0.8
97.02949	0.4
98.22626	0.2
99.00886	1.5
99.04482	0.3
101.02448	6.7
103.04019	1.7
108.02146	0.2
109.02962	1.4
112.01672	0.3
113.02458	5.0
115.04009	0.6
119.03487	2.1
121.02966	21.4
122.03321	0.7
123.00874	0.3
123.04541	0.5
124.01659	1.6
125.02467	4.3
127.04026	0.3
133.05077	3.1
135.04546	2.0
136.05247	0.3
136.76190	0.2
137.02458	0.4
139.04051	0.2
140.85707	0.2
143.03528	0.6
149.99606	2.9
151.00400	0.2
151.04031	0.5
157.05095	1.2
159.03001	0.9
161.02525	0.3
161.04578	7.5
166.06364	100.0
167.06691	4.8
168.00629	4.3
169.01405	0.4
175.07610	0.5
177.09250	0.3
181.08717	85.8
182.09039	4.7
235.08212	3.7
237.11491	0.3
249.57774	0.2
289.07138	0.8
290.07468	1.3
417.10358	7.3
417.17484	1.0
418.10779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
58.63301	0.8
59.01384	100.0
60.01732	0.9
61.98837	9.4
63.99264	1.2
69.79856	0.8
70.75397	1.3
71.01386	31.6
73.02950	5.4
83.01397	2.0
85.02967	8.4
87.00876	1.4
89.02448	26.8
95.01398	2.0
99.00875	1.6
101.02455	18.3
113.02462	14.9
116.95654	0.8
117.81047	0.8
119.03515	13.8
125.04944	0.7
131.03568	1.9
143.03534	3.3
150.16217	0.7
159.02979	1.7
161.04568	27.1
166.02716	2.8
177.09224	2.9
179.05618	7.5
181.05069	4.0
195.10246	1.8
285.17270	1.0
357.15591	22.4
358.15799	2.2
387.11096	1.1
417.22418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03450	2.2
58.44226	0.6
59.01385	100.0
60.01726	1.1
69.12222	4.6
71.01389	26.5
73.02962	10.0
79.78301	0.6
83.01402	3.3
85.02953	12.7
87.00891	1.6
89.02451	3.2
90.21274	0.7
95.01462	1.2
97.02979	0.9
99.00912	3.6
99.04533	0.9
101.02451	18.4
113.02458	13.8
119.03486	0.8
125.02507	1.0
128.03593	0.8
139.07631	1.1
143.03506	1.4
143.05281	0.7
159.03015	3.5
161.04564	36.3
162.04948	1.1
165.09204	4.8
186.26329	0.7
268.07925	0.7
285.17029	3.1
320.64468	0.7
357.15570	14.9
357.19623	1.1
358.16159	1.3
367.82602	0.7
396.92755	0.7
417.21964	1.9
418.25012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99795	0.6
55.52918	0.5
59.01384	100.0
60.01720	1.7
69.63051	1.9
82.92958	0.5
111.76742	0.6
125.89583	0.5
134.06039	0.6
164.97247	0.6
186.42885	0.6
211.13570	0.7
301.03259	0.6
329.23541	2.5
337.82642	0.6
342.04691	0.7
343.35614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01716	1.1
87.00832	1.2
106.03130	0.8
108.94642	1.0
115.47498	0.9
119.74763	0.9
121.02982	7.0
127.08237	1.0
133.76425	1.1
137.01410	0.9
209.04654	1.6
268.70111	1.2
285.20798	1.0
294.31302	0.9
417.08450	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	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61613	1.0
58.38143	1.1
59.01384	100.0
71.17435	1.8
77.61820	1.2
99.15997	1.1
105.01916	3.4
111.08181	1.6
113.10329	1.1
125.09736	2.0
134.89445	1.3
149.78624	1.0
173.08168	1.7
173.22551	1.1
187.09677	1.2
205.91945	1.1
417.21411	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17940	0.6
55.01482	0.5
56.53891	0.6
57.03453	0.7
59.01379	5.6
69.14695	3.7
72.99309	0.9
76.03765	0.6
80.74911	0.5
87.00893	5.8
98.21880	1.2
103.00437	0.8
109.25793	0.5
112.98825	2.3
123.08157	1.2
145.02957	0.6
160.84200	0.7
176.01149	0.8
177.01920	1.3
189.01930	3.5
190.02615	1.2
190.99991	0.7
204.04341	1.4
206.02219	0.7
222.01811	0.6
223.20697	38.6
224.21141	3.0
241.21933	1.3
243.06607	1.0
255.06715	0.9
267.06689	1.2
267.19681	29.4
268.07443	1.1
268.20007	1.8
269.08191	6.7
281.00674	0.6
283.09824	4.7
285.20743	100.0
286.21051	8.4
300.13843	0.7
312.09900	3.1
316.13235	2.1
325.14462	0.9
327.12427	13.6
328.12772	2.2
329.13892	1.0
331.15579	2.1
359.15030	12.1
359.24228	0.6
360.14941	1.3
417.11310	0.8
417.21298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.6
59.01382	45.2
70.50200	2.7
71.01387	37.6
72.99326	2.6
73.02942	12.7
75.40356	1.5
83.01404	5.9
85.02946	14.0
87.00880	9.1
89.02457	15.2
92.40692	1.7
93.03507	2.1
95.01401	3.3
99.00890	4.6
99.08212	1.9
101.02447	26.5
103.00375	2.5
112.98823	7.2
113.02434	15.9
119.03517	7.2
123.00865	1.6
137.97266	1.5
150.03275	2.4
155.10785	22.6
159.03012	2.9
161.04546	18.5
166.11017	1.5
179.83391	1.4
181.04936	2.5
190.02783	2.5
201.99539	2.3
220.03914	1.9
231.10764	1.7
244.14813	1.7
267.19644	4.2
285.20731	100.0
286.21054	5.8
373.16879	3.1
382.22223	1.9
417.20309	3.2
417.25406	14.6
418.25177	2.2
432.27313	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81531	0.6
55.01881	5.2
57.03451	6.0
58.00597	1.1
59.01387	54.6
60.01708	1.4
63.97095	0.6
68.99818	0.8
69.03464	1.8
71.01390	100.0
71.41804	0.9
72.01731	1.9
72.99298	1.3
73.02956	28.1
75.00882	1.4
75.91595	0.6
81.03470	1.2
82.62308	0.5
83.01391	12.2
84.02194	0.7
85.02962	44.0
87.00893	3.0
87.04505	2.9
89.02456	28.3
95.01396	9.0
97.02946	2.0
99.00890	11.2
100.44927	0.5
101.02457	57.5
102.02773	1.4
109.02963	0.5
111.00910	1.4
113.02465	42.7
114.02760	1.0
119.03513	11.5
123.00877	1.3
124.01668	0.7
125.02485	1.8
129.01968	1.9
131.03549	1.1
135.04510	1.5
137.02480	0.9
138.03267	1.8
143.03529	4.6
144.58253	0.6
149.02409	0.6
149.04533	0.6
159.03012	8.5
161.02443	1.7
161.04581	44.1
162.03300	0.9
162.04970	1.6
166.02800	0.8
171.10280	0.8
177.01881	1.2
177.05513	1.1
179.03537	0.7
179.05647	2.1
181.05013	1.3
190.02820	1.2
191.03587	1.7
192.04285	1.3
205.03427	0.8
205.05270	0.8
220.03709	0.7
221.04506	0.8
255.19728	2.7
267.60361	0.6
284.03375	0.7
285.04123	8.9
285.07089	1.1
285.17056	0.8
286.04398	1.2
297.20703	1.5
329.06912	0.7
343.21359	0.8
387.10876	3.0
417.12573	5.2
417.25049	25.5
418.25616	3.0
426.85922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45293	0.7
55.01881	5.8
57.03456	4.0
59.01385	80.3
60.01700	1.4
63.41253	0.7
69.03518	0.7
70.04836	1.0
70.05157	1.3
70.78143	0.6
71.01387	100.0
72.01736	1.1
72.99310	1.6
73.02952	27.1
75.00892	1.0
83.01403	10.2
85.02956	39.1
86.03291	1.3
87.00882	4.1
87.04536	2.2
89.02451	35.0
90.02824	0.7
92.41232	0.6
95.01403	6.4
97.02979	1.8
99.00887	9.5
101.02452	63.4
102.02808	1.6
113.02465	43.1
114.02854	1.0
119.03516	14.5
125.02464	2.2
129.01970	1.5
131.03549	2.0
143.03552	4.3
148.75865	0.7
149.04582	0.8
159.03033	6.9
161.04579	41.0
162.04929	1.5
179.05681	2.3
188.69020	0.8
205.03534	0.8
255.19785	2.7
285.20667	1.2
343.21439	1.0
417.13025	1.2
417.25027	33.3
418.25140	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	418.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13431	6.2
54.46645	5.3
55.80923	4.9
59.01389	100.0
60.01766	5.4
61.98830	9.4
69.03452	29.0
71.01389	56.9
73.02956	11.6
85.02949	15.6
89.02462	65.5
93.03450	9.9
101.02464	28.1
102.05523	6.1
113.02455	62.0
119.03508	20.4
120.99647	17.7
121.02958	10.6
161.04559	12.5
179.05611	12.0
179.80710	6.3
185.11842	22.1
215.12814	14.0
230.02715	7.6
269.17572	18.7
287.18668	18.4
419.22839	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49894	2.7
59.01370	8.7
59.56164	2.9
65.09917	2.4
65.66222	2.5
69.44324	9.5
71.01382	4.7
77.02134	2.6
89.02443	3.5
135.04652	2.5
136.22195	2.9
183.13867	6.2
195.13914	5.6
213.14981	100.0
214.15422	5.1
264.39529	2.5
381.63681	2.6
418.19748	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	419.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89954	1.2
57.16010	1.3
59.01387	60.7
67.01884	1.8
69.24317	1.3
71.01393	1.3
83.01428	1.5
87.00843	2.2
111.00876	4.8
112.98827	1.9
113.35039	1.2
119.01428	1.8
121.02988	3.7
123.00873	10.4
127.00376	3.7
132.02164	1.5
136.98793	3.4
137.02466	2.4
138.03247	16.9
139.00385	13.2
147.00871	1.4
149.02457	56.3
150.02750	1.4
153.01886	3.2
153.05580	4.5
154.02722	1.3
163.00378	2.8
164.04807	85.0
165.05115	3.0
175.00354	6.2
177.01970	6.7
178.02769	1.3
179.07155	100.0
180.07497	4.7
190.02747	18.1
192.04265	2.4
193.04984	1.3
205.05060	32.8
243.03056	2.9
255.02876	2.5
257.08179	6.2
271.02563	2.1
286.04962	1.4
287.22293	29.2
288.22568	2.9
298.04953	1.7
301.07117	7.3
313.07224	9.8
314.04352	2.0
314.07935	1.7
316.09448	3.9
327.08521	2.0
329.06747	8.5
331.11884	7.3
344.08990	8.2
359.11386	52.2
360.11639	4.6
386.23172	1.3
404.11191	2.8
419.13483	41.7
419.22012	1.6
420.13779	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	419.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88615	0.6
59.01385	52.1
61.62694	0.5
64.09482	0.6
67.31068	0.6
69.50259	3.0
70.22221	0.5
71.01368	0.7
86.96336	0.6
98.21960	0.6
111.00896	1.0
121.02975	5.2
123.00900	6.8
127.00362	1.4
136.98817	1.8
137.02473	1.9
138.03262	9.7
139.00394	4.6
147.00903	6.7
148.01656	1.9
149.02461	87.7
150.02808	3.7
153.01945	2.7
153.05641	4.6
164.04813	57.9
165.05191	2.9
175.00427	2.0
176.01003	0.7
177.01883	0.9
179.07156	100.0
180.07469	5.1
189.02003	0.8
190.02757	11.0
191.03171	0.9
205.05072	26.1
206.05339	1.0
212.47058	0.8
217.01378	1.0
227.03479	0.9
241.05147	0.8
243.06624	1.3
245.24883	0.6
257.04395	1.0
271.02341	0.7
286.04761	2.2
287.22363	3.7
298.04520	0.8
299.01868	0.7
300.10007	0.9
301.07144	8.5
303.59146	0.8
313.07156	2.5
316.09470	3.8
323.03635	0.7
329.06848	3.3
331.11887	9.9
332.12231	1.0
344.08905	2.6
357.07468	0.8
359.11371	43.4
360.11685	4.4
375.08603	0.8
378.07770	0.6
401.06354	1.0
404.10913	1.0
419.07654	15.5
419.13443	15.6
419.22141	0.8
420.08011	2.4
420.13928	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	51.7
61.98837	3.4
67.06306	1.0
69.13458	6.8
71.01375	9.8
73.02966	2.6
85.02977	3.8
89.02469	8.1
93.03471	7.9
95.01432	1.1
98.21899	2.9
101.02457	8.0
111.08170	1.5
113.02485	3.3
114.14419	1.2
119.03529	3.1
121.02960	14.2
122.03762	12.6
133.02988	2.3
134.03745	1.1
135.04562	3.9
147.04533	1.2
149.02460	50.1
150.03242	91.0
151.03619	4.5
152.01161	3.1
161.04688	1.4
163.04030	6.1
164.04805	26.0
165.01938	2.5
165.05579	100.0
166.05884	4.1
171.10295	14.5
179.07112	5.0
180.04292	7.3
183.53731	1.0
185.11862	5.2
190.50154	1.0
191.05769	1.4
193.01416	17.6
195.06635	54.8
196.06914	2.1
208.03780	31.9
209.04265	1.7
223.06134	84.8
224.06491	5.3
227.03455	9.4
228.80658	1.1
239.16550	8.2
255.03029	12.3
269.17697	3.2
283.02448	3.7
284.03268	9.6
285.04083	14.2
287.18719	4.1
371.11392	9.2
419.22876	30.7
420.23062	1.4
431.09579	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1352
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01879	0.4
57.03452	0.4
59.01384	6.1
60.06448	0.3
61.98824	1.3
65.03958	0.5
67.54546	0.3
71.01387	4.1
71.10020	0.6
73.02950	1.2
81.03467	0.6
83.01396	0.8
83.05041	0.7
85.02966	2.1
89.02441	2.1
93.03472	4.3
95.01413	0.5
99.00888	0.8
101.02457	2.7
106.04251	14.9
107.05045	26.8
108.02202	1.6
108.05378	0.9
109.02971	0.8
113.02458	1.9
119.03542	0.7
119.05051	2.0
121.02962	3.6
148.62625	0.3
149.02469	1.8
150.03238	1.3
161.04568	0.4
171.08130	0.4
171.10260	1.0
174.32396	0.4
211.07655	10.2
212.08026	0.5
213.09225	66.7
214.09570	4.5
256.07361	0.4
257.08228	8.5
258.08508	0.6
289.84003	0.3
332.77768	0.4
357.13516	0.9
371.15131	1.2
388.05139	0.3
419.13507	100.0
420.13925	11.3
431.35556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1354
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
53.07310	0.6
57.03445	0.6
59.01395	3.7
61.49730	0.5
65.03972	0.7
67.38770	0.5
71.01393	4.8
73.02927	1.9
81.03460	0.8
83.01411	0.7
83.05002	0.9
85.02965	2.6
93.03475	5.3
95.05024	0.7
99.00872	0.8
99.92590	1.0
100.18924	0.5
101.02464	2.7
106.04253	20.8
107.05042	34.6
108.02182	2.1
108.05357	0.7
109.02993	0.8
113.02444	2.7
115.92053	0.6
116.92876	0.9
118.98094	0.9
119.04984	0.6
120.99646	0.6
121.02971	5.0
134.03766	1.4
135.04536	0.6
137.02396	0.6
149.02388	0.6
149.06078	0.5
149.87704	0.6
150.03229	1.7
161.02367	0.5
161.04597	2.0
165.01962	1.5
165.05597	1.9
166.02762	0.8
167.54553	0.6
175.04031	0.6
178.02762	1.2
180.04343	1.1
183.10257	1.2
193.05055	1.8
195.06592	1.3
203.03491	0.6
211.05952	0.6
213.09225	100.0
214.09557	6.1
216.29060	0.6
225.96442	0.5
226.02635	0.7
241.05029	0.9
256.03696	0.8
257.08212	75.8
258.08557	6.2
269.04544	4.3
270.05133	0.6
297.04037	1.4
389.16409	0.8
419.08902	1.1
419.13605	4.0
419.27063	0.8
420.13464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98826	11.1
65.12566	10.6
65.93399	10.2
69.98678	25.3
71.01379	28.2
73.02969	14.4
74.02486	13.9
75.00880	14.9
77.88866	9.6
78.31822	10.2
79.06200	11.0
85.02954	15.3
87.00875	19.3
98.22598	16.2
99.40545	9.9
99.92630	70.7
100.70474	10.8
101.02451	28.2
108.02164	20.7
111.90729	12.4
115.92085	14.4
116.44043	12.1
116.92871	48.1
118.97853	10.3
136.32321	10.2
137.02438	17.1
155.10765	38.5
159.04567	16.4
191.05722	21.1
192.95946	29.9
213.09258	15.2
221.13170	16.3
254.95787	12.4
287.18677	75.3
400.99619	22.1
419.00647	25.1
419.18820	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96657	2.9
57.57795	2.8
59.01385	100.0
70.32856	3.9
70.33183	4.5
80.96014	2.5
87.78674	3.0
147.78624	3.0
156.43748	2.7
159.21643	3.0
190.63675	2.6
211.88086	2.7
221.03783	3.1
341.71552	2.7
419.07825	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	419.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23276	0.8
53.96075	0.8
57.03459	1.4
59.01384	100.0
61.98842	1.7
67.29346	0.8
69.17049	2.8
69.17450	1.7
71.01399	9.5
73.02939	3.5
83.01395	0.8
85.02956	4.9
89.02446	2.2
93.03480	1.1
97.06638	1.4
98.22628	1.4
101.02439	6.2
113.02481	3.4
119.03504	1.0
123.08184	2.6
131.03641	0.8
139.11317	3.4
147.04550	1.5
149.09785	1.5
151.11348	1.2
153.09283	0.7
159.03082	1.7
161.02580	0.8
161.04559	10.5
167.10815	3.3
169.12350	4.9
191.05798	1.0
197.11844	47.3
198.12260	2.9
338.55002	0.8
359.17334	2.7
419.19424	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	419.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38249	0.6
55.01884	1.1
57.03456	0.6
57.67251	0.6
59.01387	100.0
60.01715	1.7
69.33308	0.6
69.33607	3.3
71.01387	13.1
73.02972	3.4
83.01414	1.2
85.02964	4.3
89.02454	7.3
95.01414	0.7
98.22617	1.0
99.00902	1.0
101.02456	9.7
113.02470	6.6
119.03532	3.0
128.03543	0.9
143.03499	1.6
159.03075	1.0
161.04590	11.1
195.13980	0.8
319.19690	0.6
329.33945	0.7
359.17142	14.0
359.21466	0.8
360.17685	0.8
375.20169	2.0
385.04010	0.8
419.19077	8.4
420.19559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.1
55.97324	1.4
57.03445	4.2
59.01387	100.0
60.15680	1.6
69.94121	4.6
71.01392	37.0
73.02952	3.6
80.91685	1.8
85.02957	10.1
87.00889	2.2
89.02456	43.8
89.87282	1.4
93.03489	2.7
95.01395	2.0
97.70327	1.5
98.21989	1.7
101.02444	25.9
113.02458	14.0
118.98106	2.8
119.03528	16.7
125.02457	1.9
134.03781	1.9
137.02464	4.7
140.22736	1.5
142.80209	1.6
143.03506	2.3
155.74976	1.5
161.04535	4.5
165.05487	1.4
179.05634	4.5
179.10757	3.1
191.05446	1.7
195.10213	1.7
197.11833	7.8
220.07549	2.2
221.08278	1.8
261.76291	1.8
314.75879	1.5
359.17126	82.1
360.17456	9.0
401.17996	2.1
419.15176	3.0
419.23990	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	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03454	1.1
57.57750	0.5
59.01387	11.6
61.98832	2.2
69.57979	1.7
71.01389	7.3
71.05021	0.6
73.02943	5.3
73.03245	0.4
74.70256	0.5
83.01403	0.7
85.02957	3.1
87.00884	1.4
89.02462	3.1
91.57880	0.5
95.01379	0.7
97.06611	0.7
101.02436	4.7
108.01466	1.1
108.02185	17.3
109.02970	3.0
113.02499	2.7
121.02957	0.8
133.02975	0.7
135.04538	1.1
135.08167	2.3
137.08746	0.9
137.09744	14.1
137.10808	0.7
143.07130	1.6
151.04041	0.7
152.01176	9.4
153.01990	3.1
155.10794	96.8
156.11133	4.9
161.04620	1.0
171.10263	1.6
181.08702	1.1
185.11877	1.1
190.06404	0.8
191.05705	0.6
191.07213	0.6
193.05072	0.5
199.09792	10.6
215.12903	3.3
239.16602	0.8
257.13962	1.9
269.17599	1.6
287.18729	5.0
298.17725	0.5
389.15952	1.7
419.09769	8.7
419.19150	100.0
420.10287	1.0
420.19516	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	419.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11423	0.9
58.14302	0.7
59.01386	100.0
69.57932	3.3
87.00900	1.2
98.21824	1.0
98.62331	0.8
103.01508	96.4
104.01846	0.8
114.75603	0.8
125.87350	2.5
126.88152	1.0
126.93023	1.2
127.87035	6.5
128.87814	1.1
139.88934	1.9
141.88606	3.8
157.86328	2.1
159.85918	1.1
171.10316	1.0
183.87874	1.2
185.87593	1.4
198.88379	1.1
217.05096	0.8
275.20218	2.7
278.11322	1.0
293.21188	2.0
298.97223	2.2
358.18805	1.0
383.10904	1.4
419.08304	2.0
419.20908	1.0
420.07504	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	419.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81736	43.4
57.03246	45.8
57.06824	46.1
59.01383	74.9
70.57790	100.0
90.25630	46.3
103.88132	42.4
119.96871	44.0
124.31187	52.1
215.72896	43.0
245.43506	44.2
251.49518	42.1
260.94934	44.7
319.87344	39.5
347.74875	38.9
408.89755	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84940	58.8
59.01383	61.8
61.98822	100.0
65.61359	56.3
73.11447	57.1
84.40852	57.5
106.45929	60.3
110.01639	54.8
116.19167	53.2
128.37959	59.7
131.38011	51.1
139.57724	51.3
170.09196	54.5
382.57211	60.5
385.43741	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2293
Annotation	Euodionoside E
Peak:m/z	Relative Intensity
57.03453	4.2
57.50708	1.2
59.01385	91.5
61.73182	1.1
61.98835	1.2
64.69513	1.1
69.03452	1.7
71.01387	33.1
71.43983	0.9
72.99369	1.2
73.02967	5.2
75.00908	1.0
83.01409	2.6
84.13733	1.0
85.02948	7.6
85.06599	1.4
87.00890	6.3
89.02452	22.9
95.01392	2.2
101.02457	17.9
101.06084	1.8
111.08183	3.8
112.98840	2.2
113.02479	8.1
115.07681	3.5
119.03510	9.4
121.03010	1.7
122.03755	1.2
127.11304	3.2
131.03539	1.9
135.04495	1.9
137.30453	1.1
139.11375	1.0
141.12875	3.1
148.82767	0.9
149.00815	1.1
149.02481	5.4
149.04575	2.0
150.03253	9.8
152.01233	1.2
153.09242	1.8
155.10828	2.0
161.04552	1.3
164.04759	2.8
164.09477	1.1
165.01906	1.2
165.05556	10.0
166.06004	1.2
171.10287	62.1
172.10626	4.3
177.12227	1.1
179.05679	1.4
180.04169	1.3
185.11852	30.1
185.13451	2.2
186.12141	1.3
191.05592	1.7
193.01405	2.3
195.06694	5.5
195.13911	2.3
200.57104	1.0
208.03827	4.2
215.12926	4.3
223.06114	7.7
227.03464	2.4
239.16556	27.1
240.16994	2.3
255.02992	4.9
257.17673	2.1
269.17621	9.5
283.02548	2.2
284.03308	3.9
285.04007	5.2
287.18674	16.7
288.19006	1.4
419.22952	100.0
420.23279	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	419.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87649	0.4
57.03452	0.4
59.01385	16.0
61.85314	0.4
61.98826	0.5
71.01404	0.8
72.99290	0.6
73.02946	0.4
76.92086	0.3
84.99319	0.5
85.02977	0.5
87.00885	7.9
89.02471	0.5
99.08161	1.0
101.02385	0.6
103.00395	4.2
112.98814	9.7
130.99890	1.0
141.12900	1.4
149.01019	0.8
155.14445	0.6
171.31223	0.4
191.49483	0.4
227.66275	0.4
241.21710	0.5
258.87433	0.4
269.21194	1.7
285.20758	1.3
287.22305	100.0
288.22629	9.1
331.78790	0.4
348.09799	0.4
365.42313	0.4
377.21613	0.6
419.22690	3.1
419.30264	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	419.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69155	1.2
54.78643	1.2
59.01385	100.0
60.01728	1.2
61.98824	1.4
69.03476	1.6
71.01384	30.3
71.12821	2.1
73.02951	87.2
74.03281	1.5
77.85350	1.1
80.86221	1.2
83.01394	19.2
85.02943	4.9
89.02456	6.4
97.02925	1.7
101.02453	47.7
109.52051	1.2
113.02451	10.9
119.03515	2.8
125.02412	2.2
131.03534	3.3
143.03455	2.7
149.04567	3.8
155.03531	1.9
161.04556	8.1
197.15477	56.1
197.60002	1.4
198.15807	3.6
366.22443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
59.01368	1.0
59.32022	0.2
59.60486	0.2
61.98834	100.0
70.63453	0.3
71.01386	0.3
71.45905	0.3
72.99322	0.3
83.01425	0.3
89.02454	0.3
93.03459	0.3
96.68702	0.2
108.02274	0.2
109.02966	5.1
113.02436	0.3
121.02982	0.4
123.04560	0.7
125.02447	0.6
133.02988	0.5
135.04515	0.4
137.02478	0.3
141.09172	0.3
147.04524	2.2
149.02452	0.2
150.03294	0.5
151.00444	0.3
151.04018	0.2
159.04539	6.8
160.04997	0.3
161.02509	0.6
165.02002	0.4
165.05585	0.5
175.03961	0.3
187.04022	0.3
187.13443	0.3
213.05557	0.3
223.06230	0.2
224.06531	0.3
225.05785	0.3
231.12363	1.4
232.12665	0.3
253.05087	0.4
268.07523	0.3
269.05017	0.3
269.08206	3.2
270.05798	0.2
270.08688	0.3
313.07230	0.3
357.06299	0.4
377.10046	0.3
419.26761	0.9
420.05560	0.4
420.27060	0.5
421.09552	2.1
421.14923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45876	1.4
58.02979	15.3
66.03485	2.0
67.14752	1.7
69.03475	4.0
71.05028	2.8
74.02480	28.3
78.91885	1.8
82.02998	4.9
85.04080	1.5
86.02484	10.0
86.06152	3.4
86.89871	1.7
87.05658	6.5
97.04093	4.0
98.21881	3.6
99.05654	31.2
101.07220	6.1
102.05632	5.6
105.99721	1.7
107.06201	1.9
109.04100	4.1
111.05666	1.7
112.04060	4.1
113.02477	12.7
113.03612	1.7
115.04012	11.5
116.01784	4.7
123.05698	2.7
125.03584	2.6
127.05151	5.6
128.03552	81.4
129.03903	1.8
135.05612	7.2
137.07227	2.0
141.06721	3.7
143.04640	100.0
144.04962	2.5
145.06209	2.7
146.04597	9.0
147.01247	12.6
152.42101	1.5
153.05605	1.5
153.06651	6.9
166.09891	4.1
167.04617	4.1
167.08305	5.1
169.06227	1.7
175.01782	3.5
179.04652	23.4
181.06200	2.5
184.10889	2.0
185.05641	3.2
192.07954	1.6
197.05713	3.7
207.76997	1.6
210.08853	24.0
245.06085	3.7
254.07851	53.5
255.08147	2.2
272.08896	78.8
273.09167	5.8
286.05164	1.9
291.06583	6.1
304.06195	5.0
345.07712	2.2
397.25607	1.5
402.09668	5.4
420.10889	45.4
421.11298	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	420.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62259	1.7
58.02984	16.7
69.03449	8.0
69.21481	8.0
69.21883	3.6
71.05029	3.3
74.02483	29.2
81.04585	2.5
82.02991	4.8
85.04090	1.7
86.02486	14.8
86.06119	2.8
87.05652	4.7
90.76720	1.9
97.04109	4.4
99.05659	28.8
101.07214	5.9
102.05608	4.0
105.99646	3.4
109.04087	5.2
109.07676	4.1
111.05632	2.8
112.04077	3.8
113.02466	12.7
115.04045	9.6
116.01764	7.3
123.05585	2.4
126.04337	1.9
127.05119	4.5
128.03554	95.2
129.03876	2.1
135.05702	10.4
137.07228	3.1
141.06717	3.6
143.04634	100.0
144.04939	3.0
145.06212	2.5
146.04619	10.9
147.01236	18.4
153.06706	5.2
166.09831	6.6
167.04675	4.2
167.08246	6.7
169.06209	3.0
175.01791	1.9
179.04651	24.9
181.06172	2.1
185.05641	2.5
197.05663	4.6
210.08827	18.9
228.10019	3.5
245.05998	4.7
254.07837	62.7
272.08896	93.2
272.66458	1.9
273.09137	4.1
291.06674	4.7
304.06058	5.5
305.83029	2.0
345.07526	2.3
402.09552	6.0
420.10852	58.1
421.10986	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	420.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	12.2
59.01392	2.8
61.98831	1.8
70.75024	1.0
71.01376	0.9
72.00915	4.0
73.04076	8.0
82.06625	1.3
85.02966	0.7
89.02448	0.7
90.88320	0.5
91.05540	6.6
92.05851	0.7
97.04076	1.2
97.82846	0.5
98.02488	3.8
101.02471	1.3
103.05516	0.7
108.08170	1.5
112.07704	1.1
115.05156	4.6
116.03566	0.9
116.05088	0.6
118.06642	0.6
126.09227	1.2
129.10358	14.1
139.08789	0.6
141.10333	2.5
143.11893	2.1
147.04538	16.4
148.04846	0.7
151.08757	1.7
152.07193	9.1
152.10838	0.8
155.08269	2.0
155.10730	0.9
164.07179	43.4
165.07509	2.0
168.11440	16.9
169.09885	1.8
171.10278	1.7
172.10681	0.9
181.80386	0.5
185.12961	0.7
186.12495	34.4
187.12901	1.4
196.09799	1.6
210.12489	21.3
211.10884	4.1
211.12766	1.2
212.11206	0.6
228.13499	3.0
233.16591	11.4
239.07710	1.0
259.14734	0.7
277.15646	5.8
278.16092	0.6
290.18799	7.3
291.18842	0.8
332.19833	5.2
376.18808	100.0
376.56009	0.5
377.19107	11.4
402.20422	1.4
403.16040	0.7
420.21451	12.4
421.16812	3.7
421.21857	2.1
442.36484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.2
59.01385	100.0
60.78251	3.4
61.98820	5.4
69.03468	4.8
69.63387	15.4
71.01390	53.8
73.02944	13.8
83.01380	5.3
83.05023	3.9
85.02961	16.3
87.00877	9.4
87.04554	4.2
89.02452	41.7
96.96058	5.4
97.02940	5.9
98.21834	4.5
99.00882	5.8
101.02449	33.0
103.04027	58.6
108.02175	16.9
109.02937	11.9
110.19617	3.9
111.04514	4.8
113.02468	29.6
115.04024	5.9
116.99298	3.8
119.03528	14.3
121.02984	6.6
123.08215	5.3
133.02942	7.1
135.04539	30.4
145.05057	6.7
148.04053	6.2
149.09734	16.4
151.04048	5.3
155.98891	16.5
161.02469	31.6
161.04567	31.2
167.07138	10.8
167.10774	29.4
171.01277	8.0
174.01730	10.3
177.01991	14.8
179.03502	33.9
179.05685	8.3
185.05937	4.4
241.10889	10.2
258.99164	5.5
259.05807	5.9
259.15463	13.4
271.08289	21.4
341.08685	8.3
421.04218	20.0
421.12503	5.7
421.16525	5.6
421.20935	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	421.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
56.04713	1.3
57.03466	1.4
59.01385	9.6
61.98832	4.5
62.56337	1.1
69.13531	4.4
69.13950	2.9
71.01387	18.7
73.02952	5.9
75.00882	1.2
83.01405	3.6
84.63543	1.3
85.02962	10.7
87.00880	1.7
89.02438	2.7
92.02692	3.7
93.02874	2.6
93.03468	50.7
94.03794	1.5
95.01398	5.8
96.99326	1.7
98.22664	2.0
99.00913	2.0
101.02451	13.2
108.02151	1.8
113.02458	8.9
121.02967	3.2
123.00899	39.3
124.01676	93.5
125.02522	9.4
126.02054	1.2
133.02913	1.2
135.04488	1.4
136.01662	5.8
137.02458	95.2
138.03294	10.0
139.04031	40.3
140.04352	1.5
143.03587	1.4
147.04527	2.1
151.04002	2.1
179.03552	3.1
191.03426	1.4
191.05792	1.6
261.11621	1.1
276.47818	1.1
281.06683	100.0
282.06985	7.6
289.20258	3.8
356.70633	1.3
421.11429	84.6
422.11691	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	421.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53532	2.8
59.01384	63.4
61.98835	4.6
65.00073	3.1
71.01404	16.0
73.02963	4.4
77.04938	2.7
85.02969	7.5
87.00893	4.0
89.02464	14.5
92.38266	2.8
96.96033	19.7
99.04536	5.4
101.02464	10.1
109.02987	3.2
113.02479	10.8
119.03532	10.9
123.04541	5.0
135.04527	10.1
137.02493	5.9
137.06146	3.1
137.09644	3.1
145.03000	8.9
146.03757	12.3
147.04530	72.4
149.02599	2.9
150.75414	2.9
161.02510	4.0
163.04073	9.3
165.01906	3.1
165.05609	21.4
179.03590	3.1
187.07716	3.4
190.06348	3.4
193.08670	4.5
199.09830	21.2
205.08752	7.3
214.08131	3.2
222.09000	10.2
223.09764	100.0
224.10037	7.3
229.55548	3.4
259.15546	5.7
276.97256	3.9
289.07278	5.3
366.00735	3.3
385.15170	23.6
413.26303	3.5
421.08585	4.4
421.21176	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	421.1556
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
63.49195	30.5
65.14194	29.5
66.08990	27.5
69.92413	100.0
74.65911	28.9
91.34908	27.5
102.14538	30.8
121.02965	41.9
123.21561	33.4
155.22188	27.3
171.63634	31.1
171.65100	28.6
281.49704	33.1
421.15201	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55750	0.5
55.01889	1.3
57.03447	0.5
59.01386	100.0
61.98855	1.0
62.42650	0.5
67.16436	0.6
68.68993	0.5
69.14437	2.9
69.14835	1.1
71.01388	9.0
72.99328	0.9
73.02950	3.4
83.01408	2.3
85.02960	5.0
87.00887	1.7
89.02452	3.0
93.03481	0.8
95.01393	0.7
96.96017	1.0
98.00116	0.5
99.00877	0.7
101.02460	7.4
111.00912	0.7
112.98849	0.6
113.02476	4.8
119.03558	0.8
120.99671	16.2
125.02495	0.7
135.04544	0.7
149.00961	1.1
155.10861	0.9
159.03090	0.8
161.04605	2.1
165.04100	1.1
166.22906	0.7
175.03983	0.5
179.03621	1.3
179.05557	0.7
185.11850	0.7
191.05670	1.7
195.06718	0.6
204.37958	0.6
229.08716	3.2
259.19214	1.4
275.15125	3.2
289.20499	3.8
361.22302	4.5
379.23273	4.7
421.15683	0.7
421.20383	2.1
421.24591	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	421.1639
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
55.81824	10.3
57.33586	10.3
59.01388	100.0
62.47289	10.5
67.10442	10.5
71.01370	44.1
72.99334	12.8
73.02952	20.8
75.00889	11.7
83.01350	10.7
87.00890	13.5
89.02439	34.8
101.02452	26.7
113.02450	12.7
122.03837	11.7
127.07732	12.3
135.04561	12.7
139.03975	11.6
149.00931	26.8
150.03241	21.7
155.10869	17.8
161.04581	15.9
163.22235	9.6
165.03979	14.2
165.05493	15.6
199.09717	11.5
203.12889	34.9
209.04556	35.4
239.05536	15.0
245.13971	15.9
260.09216	21.7
289.20178	17.9
307.66418	10.6
383.13437	14.7
421.16354	84.1
421.21198	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	421.1637
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
59.01386	79.9
69.04489	8.9
69.12385	43.6
71.01365	12.4
87.37547	8.6
94.37089	8.1
101.02472	10.4
113.02474	8.2
122.03793	8.4
129.74915	8.0
135.69301	8.2
136.38721	8.8
142.98065	16.3
149.02472	9.3
150.03258	26.6
151.95781	8.7
152.66837	7.8
155.10703	13.4
165.05615	18.0
167.03554	16.0
168.91832	7.8
191.10600	7.7
195.06602	9.4
209.04599	20.9
213.01967	8.2
214.02238	14.2
217.10794	7.7
259.12036	16.8
279.45419	8.5
421.16190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55750	0.5
55.01889	1.3
57.03447	0.5
59.01386	100.0
61.98855	1.0
62.42650	0.5
67.16436	0.6
68.68993	0.5
69.14437	2.9
69.14835	1.1
71.01388	9.0
72.99328	0.9
73.02950	3.4
83.01408	2.3
85.02960	5.0
87.00887	1.7
89.02452	3.0
93.03481	0.8
95.01393	0.7
96.96017	1.0
98.00116	0.5
99.00877	0.7
101.02460	7.4
111.00912	0.7
112.98849	0.6
113.02476	4.8
119.03558	0.8
120.99671	16.2
125.02495	0.7
135.04544	0.7
149.00961	1.1
155.10861	0.9
159.03090	0.8
161.04605	2.1
165.04100	1.1
166.22906	0.7
175.03983	0.5
179.03621	1.3
179.05557	0.7
185.11850	0.7
191.05670	1.7
195.06718	0.6
204.37958	0.6
229.08716	3.2
259.19214	1.4
275.15125	3.2
289.20499	3.8
361.22302	4.5
379.23273	4.7
421.15683	0.7
421.20383	2.1
421.24591	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	421.165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22230	1.6
57.00936	1.9
57.03457	4.8
58.02963	3.5
59.01384	8.9
70.02986	8.5
71.01395	2.2
71.05029	14.5
71.24705	3.1
87.05645	4.6
89.24360	1.5
99.04543	8.4
109.50198	1.7
130.03340	6.9
146.08249	77.7
147.06004	4.4
181.07999	2.0
192.51164	2.0
217.11978	15.0
241.24060	2.1
259.44592	2.2
277.12302	100.0
278.12488	5.6
283.96396	1.9
286.04877	2.2
310.03568	1.9
421.16296	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	421.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67347	0.5
59.01382	100.0
60.01722	0.8
60.83831	0.6
66.03704	0.5
69.47643	2.9
74.55893	0.5
87.00867	1.2
94.63953	0.6
97.86367	0.7
99.00341	0.6
100.52181	0.6
103.01502	90.3
104.01862	1.1
114.55899	0.7
122.89439	0.7
125.87326	4.1
126.88111	1.6
126.92974	0.7
127.87045	5.2
128.87836	1.4
157.86206	0.7
159.86040	0.9
193.93790	0.6
256.79465	0.8
295.22748	3.2
307.43707	0.7
313.03000	1.3
315.02582	0.8
317.20782	1.9
333.91925	0.7
349.41309	0.6
351.00204	2.1
418.09863	0.7
421.09369	2.3
422.08887	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69351	1.2
59.01385	99.7
61.83385	1.2
61.98833	1.3
71.38657	1.2
76.16947	1.1
87.00857	1.2
87.97227	1.2
95.42865	1.2
102.95681	1.6
103.01505	100.0
126.32127	1.1
128.23051	1.1
203.82909	1.2
240.37289	1.2
253.21713	3.3
278.95422	1.4
295.22781	3.3
421.22620	4.4
422.22375	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	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93106	2.5
59.01389	4.9
69.32184	4.8
69.32549	12.9
88.98821	3.9
97.47804	2.1
98.22632	5.8
99.01009	2.5
105.01955	4.8
112.86562	2.4
121.02975	100.0
122.03314	32.8
127.87064	19.4
129.86760	10.0
155.23108	2.6
159.86021	6.1
161.85713	2.9
220.14769	5.6
221.15501	5.5
236.10597	3.2
242.43216	2.6
265.70398	2.9
367.92096	2.6
421.18588	4.8
421.27850	61.5
422.28177	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	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
68.35650	19.9
69.42336	72.1
78.76752	15.8
93.51450	18.0
98.21871	33.0
103.01485	61.8
127.87061	28.2
218.54085	17.6
225.71309	16.5
333.71725	22.4
349.69482	21.1
421.09613	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63022	1.5
61.98849	2.3
81.23570	1.9
116.30195	1.9
116.92873	6.1
126.52760	1.6
163.11304	100.0
164.11633	6.0
201.84081	1.5
260.26266	1.7
339.23309	63.8
340.23633	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	421.2714
Annotation	Volicitin
Peak:m/z	Relative Intensity
54.62059	0.6
58.02974	2.7
61.15895	0.7
61.98829	1.3
67.03026	0.9
69.03468	1.7
69.11959	3.9
69.12363	1.7
71.56296	0.9
74.02473	2.1
82.02953	1.2
84.04569	3.5
92.61041	0.7
98.02479	0.9
101.07219	3.3
109.04083	9.9
113.12885	0.7
113.67285	0.7
125.03581	2.0
125.07294	1.7
127.05149	46.5
128.03554	10.9
128.05475	1.0
128.09259	0.7
133.19235	0.7
133.39188	0.7
145.06210	42.8
198.11275	0.8
261.19797	2.4
283.16833	0.8
307.20322	0.9
323.19794	3.1
324.20071	0.8
352.20007	2.2
403.26041	5.6
421.27130	100.0
422.27484	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	422.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00553	1.6
69.78297	1.6
69.78625	5.1
81.03491	3.6
84.38561	1.7
84.93875	4.6
97.06624	1.6
99.92598	33.9
100.92667	3.8
100.93369	52.9
101.93404	2.7
109.93413	3.3
115.92088	100.0
116.92104	5.0
116.92863	30.0
126.09246	6.3
129.05592	2.0
130.08786	3.9
134.47969	1.7
153.84793	1.6
163.11197	2.3
191.10870	3.3
212.00156	3.7
212.98648	7.3
215.24532	1.6
216.98094	6.0
276.19870	2.3
320.05881	2.3
320.18768	4.0
322.20325	2.0
332.05753	2.7
376.12244	7.8
404.11578	8.0
405.12112	1.9
422.12814	51.8
423.12888	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	422.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79940	9.8
58.17337	10.3
58.82933	9.7
59.01395	68.3
61.98826	14.2
65.93093	9.7
66.08697	8.7
69.14780	9.0
69.92282	15.8
69.92627	28.4
71.01387	37.1
73.02957	23.3
82.17843	10.4
85.02946	24.4
87.55405	10.0
89.02466	10.7
96.96014	11.0
101.02449	41.2
113.02458	27.9
115.86327	9.1
116.09161	9.3
119.33459	9.7
156.74634	10.8
161.04594	23.9
165.04068	21.7
187.07695	30.8
209.05234	10.5
231.10191	20.6
275.09232	26.3
348.73468	11.6
379.23428	100.0
423.17804	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	423.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	38.1
70.24532	4.2
71.01389	100.0
71.05025	6.7
72.99321	30.3
73.94140	4.4
78.95921	7.6
85.02953	9.8
87.00886	40.1
89.02456	13.2
96.96971	10.8
98.99424	7.6
101.06109	13.8
105.01994	4.5
113.02441	8.0
115.00391	25.3
115.90247	4.2
117.01929	4.6
119.03519	5.3
129.01962	28.1
130.08711	6.2
141.00470	20.8
147.03015	75.9
147.06642	79.1
148.04414	12.2
148.06992	4.2
153.00423	8.0
175.04155	5.4
179.05574	7.8
183.01605	9.3
185.69173	4.7
195.01498	11.5
243.03676	39.4
341.10870	14.5
363.07880	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	423.1448
Annotation	Erythynone
Peak:m/z	Relative Intensity
52.68742	1.3
53.43404	1.3
61.98831	1.9
65.62128	1.4
76.16509	1.3
80.19807	1.3
80.20430	1.4
96.67032	1.3
118.04281	3.8
161.02435	4.1
162.03168	3.9
171.56841	1.6
173.02396	2.5
176.01132	4.1
177.47627	1.3
189.01958	20.9
190.02730	33.6
191.03008	3.2
201.01962	30.1
202.02591	4.6
215.03606	2.3
222.01591	2.4
225.05534	3.5
227.07115	4.0
229.05019	3.4
230.05872	3.1
243.06612	25.0
244.07405	37.1
245.08194	100.0
246.08560	8.3
262.83575	1.6
326.11493	2.5
341.13934	13.7
342.14450	2.3
423.14532	12.3
424.10318	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67235	0.3
55.01884	8.4
57.03459	2.5
58.00595	0.5
59.01385	41.9
60.01722	0.4
61.98834	1.0
67.01868	0.3
68.99828	0.4
69.03459	2.5
69.49639	0.3
71.01389	100.0
72.01729	1.3
72.99310	2.6
73.02955	11.4
75.00873	0.6
81.03456	1.6
83.01392	7.8
83.05040	0.3
84.95137	0.5
85.02962	21.6
85.06605	1.7
86.00118	0.4
86.03358	0.4
87.00892	3.6
87.04519	2.3
89.02453	16.7
91.77451	0.3
95.01409	1.1
95.47071	0.3
97.02969	4.4
99.00879	2.6
99.04533	0.9
101.02450	17.1
101.06096	1.1
103.04021	2.8
109.02929	0.6
111.00884	1.0
111.04589	0.3
113.02460	7.1
114.16739	0.3
115.04021	0.8
119.03511	1.2
121.02965	1.3
125.02467	3.3
127.04041	0.4
129.05597	15.9
130.05922	0.6
131.03519	8.3
133.02942	0.4
135.04570	0.4
139.04037	0.5
141.05737	0.3
143.03522	1.5
147.03300	1.2
147.06648	20.2
148.04051	2.7
148.06981	0.6
149.04578	3.6
150.05147	0.3
155.03529	0.4
157.08731	0.4
159.02982	0.4
161.04588	2.4
169.08635	0.3
173.03084	0.6
173.04575	12.2
173.08165	2.1
174.04816	0.3
179.03551	0.4
191.05652	0.7
200.07166	1.2
201.07710	4.7
201.11424	1.2
203.05658	0.4
215.05728	0.4
233.06685	4.6
263.11404	2.2
265.08865	0.3
291.14554	0.8
293.08777	1.0
303.39621	0.3
309.11868	0.8
313.12921	1.1
331.13940	0.7
353.94873	0.3
395.15601	8.3
396.15994	0.6
423.15076	45.1
424.15414	4.0
442.95087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92618	4.8
55.13657	4.6
59.01385	59.2
61.98830	37.4
62.19419	4.1
71.01382	61.4
71.27377	6.2
71.44031	5.4
73.02953	12.5
75.57349	4.3
75.61643	4.5
78.46133	5.1
85.02959	12.6
87.00888	9.8
89.02457	43.5
101.02444	19.8
111.77167	5.0
113.02464	12.3
120.99644	8.7
129.09221	100.0
130.09549	7.4
131.03491	11.1
135.04507	5.1
149.04572	11.4
161.04556	6.7
165.04108	28.8
169.60201	6.0
179.03485	6.0
187.07613	8.3
191.05542	10.1
231.10329	10.0
275.09250	11.5
276.99377	5.0
293.08780	15.1
330.36765	4.7
374.58682	5.7
423.18134	14.3
423.26044	7.8
442.76123	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	423.179
Annotation	nymphaeol B
Peak:m/z	Relative Intensity
57.03434	10.1
57.55591	3.0
59.01381	51.0
61.98813	6.6
70.17219	4.1
70.17521	4.4
71.01384	10.6
73.02958	4.2
77.70067	3.1
83.01391	3.5
85.02958	5.9
89.02446	11.4
90.56942	3.3
96.43991	3.4
96.96000	25.4
98.95603	9.4
101.02448	11.1
105.01924	4.1
109.02947	7.4
113.02444	5.0
118.98077	3.2
119.03482	4.0
120.99624	7.8
121.02932	9.7
123.04530	7.6
125.02462	16.6
133.02914	4.6
137.02502	3.4
138.05559	3.8
145.02945	12.1
148.04036	4.5
149.02441	6.4
150.03249	11.3
153.05606	3.6
161.02393	8.2
165.05568	16.3
177.01935	9.0
179.03589	3.5
179.07112	7.2
190.02676	4.6
191.03574	3.4
195.06642	8.5
201.11319	10.9
205.05013	6.0
217.05005	7.0
221.08179	3.4
231.02950	5.6
233.90431	3.2
236.48668	3.2
241.00441	4.6
243.06596	8.7
243.12279	6.5
245.04530	4.2
250.42804	3.0
255.03017	3.8
261.07632	6.9
297.04214	5.4
318.01508	7.7
375.14099	4.6
387.20297	13.7
405.05200	5.7
422.58469	11.4
423.11615	11.2
423.17920	100.0
424.18488	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	423.1797
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
53.52497	20.6
54.10664	26.2
59.01380	68.8
59.64295	20.4
61.98493	20.2
61.98825	34.1
69.54559	55.7
69.54963	61.4
79.59563	24.2
82.07548	23.2
87.11632	23.9
94.54696	21.8
131.47922	25.3
135.04482	31.1
179.34753	20.5
186.13278	23.4
187.09756	27.8
335.46121	25.9
387.16467	49.2
423.17816	100.0
425.48557	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1795
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
59.01376	23.3
68.72828	11.7
69.12557	44.4
69.12965	46.1
71.01366	20.4
76.73194	12.6
80.65282	11.1
88.81548	13.6
101.02438	16.6
133.50444	11.4
262.97379	13.2
298.80338	13.3
423.17963	100.0
424.18408	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.4
59.01384	100.0
61.98827	6.5
69.03428	2.4
69.39117	10.1
71.01389	14.7
73.02959	6.7
75.00880	3.6
83.01399	10.2
83.05077	2.8
85.02962	10.0
89.02448	15.1
93.03474	3.3
95.01434	1.9
96.04575	7.1
96.96957	4.2
99.00861	3.8
101.02455	16.1
108.55091	1.9
109.02944	7.1
113.02470	12.1
119.03513	7.8
120.99635	3.5
122.03748	2.3
123.04427	2.9
125.02456	8.9
131.03539	2.9
135.04558	5.7
137.02458	10.7
147.04558	2.7
149.02498	11.3
149.06137	3.6
150.03235	9.5
151.00342	2.2
151.57562	2.2
158.33047	2.2
159.04491	3.1
161.02493	8.7
161.04552	2.7
165.05579	11.1
175.03967	3.0
177.01964	3.0
179.03500	8.7
179.05576	3.2
195.06619	5.7
201.11342	60.9
202.11646	2.7
205.05070	3.3
208.99123	3.4
209.99478	3.5
217.04993	4.3
227.09264	3.5
229.05009	2.4
243.03026	3.0
243.12325	3.8
254.13353	2.1
285.04077	8.1
287.09189	4.0
291.14493	3.1
352.91479	2.4
375.14368	4.9
387.17188	2.7
400.40189	2.3
423.06567	4.3
423.11545	6.4
423.18747	7.8
424.16461	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	423.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.4
57.03450	4.5
59.01386	100.0
61.98846	7.3
69.03461	2.3
69.28727	5.8
71.01389	79.7
71.05013	1.5
72.99296	3.0
73.02954	11.8
78.95897	1.2
81.03468	2.0
83.01417	7.8
83.47283	1.0
84.95144	2.4
85.02957	24.7
87.00883	4.1
87.04029	2.0
87.04527	22.9
89.02454	25.3
95.01384	2.4
96.96962	2.4
97.02950	3.1
99.00893	2.5
101.02453	26.5
103.04022	1.4
111.00883	2.8
113.02464	15.3
115.04046	1.4
117.03461	1.2
119.03501	5.4
119.05012	5.5
120.01248	1.7
121.02941	3.1
125.02436	2.5
128.98544	1.0
129.05580	9.5
131.03526	9.7
139.11282	3.9
143.03584	1.8
147.03275	2.5
147.06648	14.2
148.04108	5.2
149.04575	5.0
150.03192	1.2
157.06641	1.8
159.03181	1.2
161.04584	8.6
163.04024	2.1
165.05510	1.5
173.04541	7.9
173.08257	1.6
179.03548	1.0
179.05627	1.3
179.38618	0.9
191.05711	1.7
193.01839	3.4
200.07170	4.0
200.99669	5.1
201.01306	0.9
201.05688	0.9
201.07622	2.9
201.09479	2.4
201.11346	36.1
202.11732	1.8
206.54901	0.9
218.99750	3.3
225.11346	5.6
233.01314	2.6
233.06621	4.0
235.02869	5.2
243.12190	1.3
251.99557	1.2
261.00784	11.5
262.01184	1.2
263.11313	2.4
272.98480	1.2
291.14453	8.5
292.56265	1.2
363.16531	5.2
395.15561	4.8
423.14523	26.3
423.18790	4.9
424.15060	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	423.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01739	1.2
61.91335	0.8
61.98832	4.0
71.01395	15.2
71.19936	0.7
73.02969	0.9
75.06649	0.7
77.82730	0.6
80.73131	0.6
83.01394	1.0
83.17739	0.6
85.02980	1.9
87.00902	0.8
89.02462	2.2
101.02466	2.6
104.52393	0.8
113.02477	2.1
129.05582	1.1
147.06631	1.1
151.07672	0.8
154.23225	0.8
169.08733	1.3
173.04692	0.8
187.09824	1.8
223.09917	0.8
313.12924	6.1
314.13589	0.9
317.38739	0.7
329.60068	0.7
331.13992	5.2
363.35773	0.7
423.14996	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	423.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.7
57.03438	3.0
59.01387	48.8
61.98838	1.5
69.03471	1.5
71.01391	57.4
71.42971	1.3
72.99316	2.5
73.02956	35.2
75.00870	2.0
83.01404	14.7
85.02959	31.5
86.00123	2.5
87.00881	2.7
89.02459	11.2
95.01397	3.8
97.02955	3.8
99.00902	12.7
99.54637	1.3
101.02459	60.5
111.00885	1.5
113.02463	23.1
115.04021	2.9
125.02456	4.0
129.01962	2.7
131.03479	2.8
133.02986	1.3
134.03741	13.4
143.03532	2.4
147.02985	3.8
150.50813	1.3
159.03009	4.3
159.14992	1.3
161.02484	2.9
161.04579	23.4
162.03258	7.5
176.20099	1.1
178.02730	1.3
183.92358	1.4
199.51039	1.4
233.06662	4.1
238.19685	1.2
275.09341	17.2
291.18167	100.0
292.18564	7.2
292.21286	1.2
293.08936	1.5
423.22430	82.5
424.22803	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	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24550	1.1
55.01874	4.8
57.03444	4.8
59.01384	48.5
61.98845	1.8
65.69686	1.2
69.03453	2.4
69.68258	3.2
71.01389	72.9
72.99302	1.5
73.02958	43.6
73.03373	2.5
75.00870	2.9
75.66392	1.4
83.01401	17.0
83.47425	1.3
85.02958	35.5
86.00093	3.1
87.00891	5.2
89.02467	12.9
95.01425	6.4
97.02956	3.9
98.21958	2.6
99.00895	16.1
101.02454	73.5
102.02840	2.1
113.02465	27.1
115.04023	2.6
123.14206	1.2
125.02454	5.1
129.01949	1.8
131.03535	3.6
133.02988	8.0
134.03772	18.4
135.04559	7.3
137.02478	1.8
143.03569	2.1
147.02979	3.9
148.37076	1.1
149.04521	2.2
159.03000	6.4
161.02469	3.1
161.04579	28.7
162.03229	6.5
165.04057	1.7
177.01967	5.3
178.02725	4.6
179.03578	2.2
220.78818	1.4
231.10248	3.6
233.06639	4.2
275.09283	25.6
291.18158	100.0
292.18515	8.8
293.09015	1.4
423.22394	94.0
424.22745	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	423.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.9
57.03448	6.2
59.01387	100.0
59.13215	1.5
61.98831	2.2
63.80726	1.4
64.66495	1.6
69.03438	2.6
71.01389	81.4
72.99309	3.4
73.02952	22.6
75.00860	1.8
76.53643	1.6
81.03505	1.7
83.01391	16.1
85.02965	33.2
86.03301	1.9
87.00897	6.3
89.02454	44.3
95.01405	4.6
97.02993	2.7
99.00900	11.9
101.02459	77.2
101.61534	1.6
102.02765	2.4
105.03454	2.3
111.00932	7.9
113.02459	26.8
115.04012	1.9
117.03456	1.8
118.64682	1.9
119.03515	3.7
125.02468	5.3
129.01978	3.7
131.03520	30.7
133.02977	21.2
134.03781	20.2
135.04552	7.7
137.02489	2.0
143.03545	4.9
147.03012	5.1
148.16209	1.6
149.04558	13.9
159.02977	2.5
160.79846	1.7
161.02501	2.1
161.04582	25.4
162.03294	8.3
165.04100	1.8
177.01912	7.7
178.02713	8.1
191.05679	1.9
231.10204	12.1
233.06706	7.3
250.09105	1.7
275.09265	39.5
276.09546	1.8
277.16660	2.1
291.18152	88.9
292.18442	9.6
423.22415	85.8
424.22855	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	423.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.9
57.03448	6.2
59.01387	100.0
59.13215	1.5
61.98831	2.2
63.80726	1.4
64.66495	1.6
69.03438	2.6
71.01389	81.4
72.99309	3.4
73.02952	22.6
75.00860	1.8
76.53643	1.6
81.03505	1.7
83.01391	16.1
85.02965	33.2
86.03301	1.9
87.00897	6.3
89.02454	44.3
95.01405	4.6
97.02993	2.7
99.00900	11.9
101.02459	77.2
101.61534	1.6
102.02765	2.4
105.03454	2.3
111.00932	7.9
113.02459	26.8
115.04012	1.9
117.03456	1.8
118.64682	1.9
119.03515	3.7
125.02468	5.3
129.01978	3.7
131.03520	30.7
133.02977	21.2
134.03781	20.2
135.04552	7.7
137.02489	2.0
143.03545	4.9
147.03012	5.1
148.16209	1.6
149.04558	13.9
159.02977	2.5
160.79846	1.7
161.02501	2.1
161.04582	25.4
162.03294	8.3
165.04100	1.8
177.01912	7.7
178.02713	8.1
191.05679	1.9
231.10204	12.1
233.06706	7.3
250.09105	1.7
275.09265	39.5
276.09546	1.8
277.16660	2.1
291.18152	88.9
292.18442	9.6
423.22415	85.8
424.22855	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	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04419	0.5
60.24682	0.6
69.04477	0.7
69.04875	2.7
78.95911	7.3
98.90180	0.4
102.47086	0.4
104.97469	0.5
106.93264	0.5
110.98547	5.9
152.99577	1.2
167.01167	9.1
185.02135	2.3
255.23305	100.0
256.23651	7.8
423.25241	15.7
424.25574	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	423.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95913	12.2
104.97508	0.7
110.98547	9.5
127.77869	0.3
137.00078	0.4
152.99586	0.3
167.01157	11.1
185.02222	2.3
245.11189	0.3
255.23312	100.0
256.23672	8.5
423.25232	16.6
424.25449	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	424.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99895	0.3
59.01400	2.1
62.49758	0.3
67.45225	0.3
69.03450	0.4
69.44714	0.7
69.45113	0.6
70.08241	0.3
71.01393	1.0
73.02961	0.3
85.02979	0.7
89.02442	0.8
93.03472	0.5
101.02441	1.1
105.21088	0.3
113.02450	0.9
121.02972	100.0
122.03309	3.2
131.03532	0.4
133.02968	0.9
134.03787	1.9
135.04539	3.3
136.01627	0.3
145.02994	0.6
148.04066	66.1
149.04410	2.7
157.06580	0.8
175.07654	0.5
177.02005	0.3
178.02750	0.5
179.03564	2.8
185.06090	1.4
187.07800	0.4
200.07170	2.4
219.06668	0.4
229.05051	1.4
231.10219	0.7
262.07181	1.4
286.07217	0.5
293.11737	0.7
301.08783	0.6
310.09348	13.2
311.09723	1.1
319.09741	1.1
337.11124	0.5
363.08676	0.4
381.09863	1.4
424.12491	0.7
424.17953	0.5
426.21545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98834	100.0
66.28460	0.9
66.61375	0.7
71.01392	1.1
75.87646	0.6
83.11613	0.7
87.00893	1.3
88.31597	0.7
89.02434	0.9
112.98858	0.8
134.03754	8.7
135.04573	2.0
137.02530	0.8
149.00986	1.3
155.10803	7.5
165.04057	1.3
166.47946	0.7
179.03488	1.0
199.09752	14.7
199.75168	0.7
211.87424	0.8
231.10362	1.0
241.10973	0.7
263.12851	1.4
276.05112	0.9
293.10312	3.2
361.15277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.2
60.82145	0.9
64.03928	0.8
71.01387	10.5
71.41138	1.2
84.45580	0.8
85.02964	2.1
87.04533	1.0
89.02446	17.0
95.01450	1.1
101.02438	5.4
113.02502	6.2
119.03499	6.4
130.08754	100.0
131.03510	5.1
131.09068	2.9
143.03555	1.4
148.04399	23.4
149.04636	1.2
161.04532	3.1
179.05637	13.3
293.08792	2.1
386.23517	1.2
399.66284	0.9
410.02350	1.0
439.40799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.086
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
59.01373	60.2
71.01384	45.1
72.07676	17.8
79.09360	17.3
79.36115	18.6
82.11045	18.2
89.02444	68.4
91.01866	17.0
113.02437	50.6
119.03500	53.8
131.03450	29.7
138.78151	19.2
170.85246	19.3
179.05670	48.3
185.26201	18.8
230.70157	17.8
293.08755	35.0
327.39310	18.7
379.34616	22.8
425.08597	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	425.086
Annotation	Maggiemycin
Peak:m/z	Relative Intensity
59.01382	29.4
64.48534	5.0
69.78390	11.5
69.78746	10.6
71.01383	13.9
75.60513	4.6
83.01402	7.8
88.36012	5.4
89.02467	19.9
95.05035	5.6
101.02461	10.1
107.05029	5.5
109.02943	13.9
113.02458	6.6
123.04494	19.8
123.75207	4.7
125.02457	19.2
127.44309	5.3
132.77902	5.2
133.02985	6.1
137.02420	13.2
151.04004	28.6
153.01913	12.7
163.04047	7.4
175.03978	20.5
177.01941	11.5
179.05634	11.7
187.03978	12.3
205.04924	4.9
227.03685	5.7
229.05038	9.3
255.02957	22.6
256.03726	13.2
257.04703	8.2
273.04181	8.9
281.04474	7.9
285.04111	7.3
339.08713	11.6
381.09729	8.5
407.07730	100.0
408.08322	12.4
425.08432	36.0
426.08917	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	425.086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.1
59.01381	15.4
61.98842	3.0
63.33441	1.7
65.03962	2.8
67.01897	2.9
69.03448	2.7
71.01382	6.3
71.38960	1.8
79.05547	1.8
81.03453	2.7
82.95393	2.3
83.01364	10.2
85.02985	2.4
86.96037	2.0
89.02431	10.2
101.02422	5.2
105.01971	2.0
107.05019	4.0
109.02959	21.1
113.02467	5.9
119.03539	5.1
119.04992	2.4
121.02970	3.0
121.06561	3.2
122.03754	2.3
123.04531	17.0
125.02454	19.3
131.03520	2.5
131.05038	4.6
133.02951	5.3
135.04562	3.6
137.02467	11.5
145.02994	8.3
146.03708	3.0
147.04546	5.9
149.02438	6.5
149.04648	1.7
149.06084	1.9
151.04008	33.9
151.05098	3.8
153.01985	13.4
159.04503	3.1
161.02484	3.0
161.06053	2.6
163.04070	6.2
165.05579	5.9
172.95569	2.1
175.04048	22.6
177.01947	15.8
179.05598	3.3
187.04031	16.0
188.04675	3.4
189.05502	2.6
193.05081	2.9
201.05609	1.8
204.04248	7.8
205.05090	6.1
209.04593	2.9
211.04100	2.4
213.05559	4.6
214.02618	2.7
215.03439	4.7
217.05170	4.1
227.03508	3.0
228.04306	2.2
229.05104	8.9
231.03099	2.5
243.03009	4.0
245.08260	8.3
255.02997	20.4
256.03769	10.3
257.04419	6.0
263.09274	3.7
273.04160	11.5
281.04544	7.0
283.02466	4.4
285.04257	4.5
293.08633	2.2
315.08786	2.0
339.08734	12.7
367.10400	4.7
381.10007	3.8
407.07727	100.0
408.07971	12.5
425.08835	13.7
425.16196	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	425.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.3
59.01385	7.1
61.98822	0.7
65.00316	1.0
65.03973	2.2
67.01893	1.1
69.03465	0.8
70.91810	0.3
70.92158	0.3
71.01389	3.9
71.80610	0.3
73.02946	1.2
75.00881	0.3
80.91681	0.3
81.03465	0.6
82.95422	0.4
83.00926	0.5
83.01398	7.3
83.05025	1.2
85.02946	1.1
87.00894	0.5
89.02457	5.0
89.03975	1.4
89.29970	0.3
89.48062	0.3
91.01891	1.0
93.03462	1.9
95.01414	0.7
95.05042	1.4
96.96026	1.0
96.96947	0.5
97.02975	1.6
99.00903	2.4
100.00415	0.5
101.02460	2.8
105.03484	0.9
107.01414	0.3
107.05032	5.9
108.02188	1.7
109.02959	22.2
110.03281	0.6
113.02479	1.4
114.38675	0.3
115.05547	0.4
115.49880	0.3
117.03472	1.0
119.03517	1.5
119.05003	1.5
120.14717	0.3
121.02957	2.2
121.06586	0.9
122.03751	1.5
123.04533	16.9
124.01683	0.9
124.04912	0.3
125.02456	17.9
126.02769	0.5
130.04233	1.0
131.03534	0.6
131.05045	3.3
131.07146	0.9
133.02974	5.4
133.06621	0.5
134.03722	0.4
135.00867	0.6
135.04561	2.6
136.01669	1.0
137.02455	20.5
138.02798	0.5
139.04033	1.1
143.05038	1.4
145.02922	1.7
145.06592	0.8
146.03728	0.7
147.04605	1.6
148.01715	0.7
149.02458	6.2
149.04538	0.7
149.06093	1.2
150.03198	1.3
151.04018	30.5
152.04359	1.5
157.06621	0.8
158.03738	0.7
159.04510	3.0
161.02461	5.1
161.04747	0.4
161.06081	2.2
161.09654	0.4
162.03130	0.9
163.04022	7.2
164.01155	0.4
165.01956	0.4
165.04077	0.8
165.05449	0.4
171.04567	0.5
172.05331	0.5
173.02441	0.4
173.06087	1.1
174.03214	1.2
175.04016	25.7
176.01225	0.4
176.04306	1.3
177.01941	14.2
177.05554	1.6
178.02304	0.7
179.03619	0.5
179.05614	1.4
183.04553	0.9
184.05241	0.4
184.97691	0.3
185.02501	0.4
185.06117	1.7
186.03215	0.3
187.04015	14.0
187.07648	0.6
188.04706	2.2
189.01917	1.8
189.05583	2.5
190.02663	1.0
191.03482	0.9
191.05576	0.9
193.05069	2.7
199.03979	2.3
200.04787	0.6
201.02005	0.4
201.05612	1.7
203.03519	2.2
203.07155	1.3
204.04222	0.7
205.05038	3.8
211.04028	4.1
212.04764	1.3
213.01997	0.5
213.05583	3.4
214.02737	2.5
214.06041	0.5
215.03502	4.6
216.04251	0.4
217.01524	0.6
217.05106	3.6
219.03018	1.4
225.05586	1.1
225.11412	0.6
227.03531	4.6
227.07101	0.6
228.04292	2.7
229.05067	11.1
229.08736	0.7
230.05649	1.3
231.03032	1.6
231.06593	1.7
232.03680	0.5
234.99355	0.4
237.05600	0.7
239.03554	0.4
241.05110	0.6
242.02200	0.7
243.02995	5.5
243.06621	0.6
244.03456	0.6
245.04585	0.5
247.06194	1.3
253.05075	1.9
253.08745	0.4
254.05705	0.6
255.03004	22.6
255.06622	1.2
256.03726	12.2
257.04523	5.1
258.05002	0.4
259.06058	1.1
261.04083	0.5
269.04501	2.6
271.06134	0.8
271.09738	0.7
273.01166	0.7
273.04083	11.0
274.04681	1.1
279.06744	0.5
280.03870	0.5
281.04575	8.9
282.01648	1.4
282.04880	0.6
283.02490	3.7
284.03198	1.5
285.04092	5.0
286.04440	0.5
287.05780	0.8
288.02939	0.5
289.07034	0.3
295.09744	0.6
297.04007	2.1
297.07669	2.1
298.04758	0.7
299.05606	1.9
315.05392	0.4
315.08728	2.1
321.07672	0.8
339.08746	13.6
340.09079	1.3
341.06668	1.9
357.09735	1.3
363.08545	0.8
365.18314	1.4
381.09827	6.5
382.10345	0.6
383.07483	0.8
389.06696	1.1
407.07733	100.0
408.08066	11.3
417.81473	0.3
425.08774	11.1
425.16635	7.1
425.21411	0.3
426.09064	1.0
426.16840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.4
57.92337	0.3
59.01378	2.1
61.98833	0.4
65.00324	0.8
65.03965	1.7
67.01898	1.3
68.99802	0.4
69.03439	0.5
71.01390	1.6
73.02951	0.7
81.03458	0.9
82.95428	0.3
83.01396	5.7
83.05021	1.0
85.02957	0.4
85.06593	0.9
87.00881	0.3
89.02456	2.0
89.03977	1.1
91.01901	1.1
93.03461	1.3
95.01392	0.8
95.05035	1.0
97.02957	1.5
98.22604	0.7
99.00885	0.7
101.02457	1.1
105.03443	1.1
107.05038	5.4
108.02184	1.9
109.02959	19.5
110.03318	0.4
113.02424	0.3
117.03461	0.6
119.05035	1.4
121.02959	2.3
121.06618	0.8
122.03729	1.3
123.04547	12.7
124.01666	0.7
124.04922	0.3
125.02462	12.2
126.02798	0.6
130.04237	0.8
131.03502	0.3
131.05046	3.0
131.07146	2.7
133.02982	4.7
133.06619	0.4
135.00906	0.6
135.04535	1.6
136.01691	1.1
137.02467	11.2
138.02844	0.6
139.04042	1.1
143.05046	1.5
145.02957	1.0
145.06602	0.9
146.03703	0.7
147.04510	1.4
148.01636	0.3
149.02455	6.1
149.06117	0.7
150.03258	1.4
151.04030	26.7
152.04381	0.9
157.06583	0.5
158.03758	0.6
159.04529	2.9
160.05228	0.4
161.02477	4.3
161.06090	1.8
162.03185	0.9
163.00397	0.3
163.04036	6.1
164.01216	0.4
164.04332	0.4
165.05579	0.4
167.03552	0.3
169.06609	0.4
171.04510	0.8
172.05353	0.5
173.06100	0.8
174.03242	1.2
175.04030	23.5
176.04446	1.4
177.01959	11.5
177.05533	0.9
178.02263	0.6
183.04591	0.6
184.05438	0.3
185.06140	1.6
186.03218	0.6
187.04028	12.9
187.07622	0.4
188.04720	2.2
189.01988	1.5
189.05614	2.2
190.02740	0.8
191.03497	1.0
191.05368	0.4
193.05103	3.1
197.06180	0.3
199.04030	1.3
200.01160	0.3
200.04712	0.8
201.01808	0.4
201.05579	1.8
203.03523	1.5
203.07103	0.6
204.04269	0.8
205.05045	3.9
206.05629	0.4
209.06120	0.4
211.04047	3.6
212.04686	0.9
213.01944	0.6
213.05605	2.9
214.02689	2.1
215.03523	4.7
216.04095	0.3
217.01620	0.5
217.05081	3.7
219.03055	1.7
225.05614	1.0
227.03529	4.5
228.04219	2.5
229.05090	8.6
229.08650	0.5
230.05731	1.4
231.03050	1.8
231.06575	1.4
233.04460	0.4
237.05624	0.6
239.03525	0.3
240.04242	0.3
241.05017	0.6
242.02071	0.7
243.02965	4.4
243.06703	0.3
244.03432	0.5
245.04602	0.3
247.06110	1.2
253.05016	1.8
253.08809	0.7
254.05515	0.4
255.02995	21.6
256.03745	12.7
257.04535	5.7
258.04962	0.6
259.06055	0.6
261.04037	0.5
269.04636	2.2
271.06149	0.4
271.09787	0.8
273.04065	11.0
274.04510	1.3
280.03781	0.4
281.04550	7.0
281.07651	0.3
282.01749	0.9
282.05011	0.9
283.02499	3.8
284.03085	1.2
285.04056	4.9
286.04358	0.4
287.05591	0.7
288.02899	0.7
295.09723	0.5
297.04041	2.2
297.07697	1.8
298.04727	0.8
298.07852	0.4
299.05679	1.5
315.08762	2.1
321.07654	0.7
339.08734	12.8
340.08942	1.5
341.06577	1.6
357.09763	1.1
363.08740	0.8
365.06580	0.3
374.95938	0.3
381.09802	6.4
382.10098	1.0
389.06580	1.4
407.07748	100.0
408.08075	12.7
408.13641	0.5
425.08823	9.8
425.16626	5.1
426.09268	1.2
426.16855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.2
57.03445	5.5
58.33723	1.5
59.01386	100.0
60.01724	1.5
61.98832	6.4
63.12598	1.6
65.99841	1.4
69.03455	4.1
71.01389	83.2
71.43513	1.6
72.00911	7.3
72.01731	2.3
72.99306	4.2
73.02955	23.1
75.00874	6.4
77.04002	2.0
83.01388	11.1
85.02964	30.0
87.00876	17.0
88.98830	5.7
89.02452	45.1
93.03486	3.4
95.01409	5.1
95.05052	2.2
97.02954	3.3
99.00896	7.9
100.00423	32.3
101.02454	60.4
105.03452	4.3
107.05054	1.9
109.02981	3.2
111.00896	8.5
112.98846	4.3
113.02454	25.1
115.04071	2.3
118.02992	4.6
119.03521	4.8
119.41013	1.6
121.02973	4.0
121.09074	1.9
123.04515	1.7
125.02454	7.3
129.05618	1.9
131.03520	18.3
132.04646	2.7
133.01468	1.8
133.02985	38.4
134.03770	29.0
135.04556	74.1
136.04884	3.3
137.02481	7.0
139.04030	2.6
143.03523	3.2
144.03050	24.6
144.96901	1.6
146.03674	1.9
147.04570	3.8
148.05281	1.7
149.00954	10.6
149.04587	14.6
149.05798	2.5
151.04034	2.9
158.03769	2.9
159.03036	5.0
159.04549	10.6
161.02545	2.4
161.04587	19.7
172.05324	3.2
173.06029	3.8
175.04021	2.4
175.07684	3.0
176.04803	5.4
177.01938	20.2
177.09236	4.4
178.02740	35.5
179.03514	73.5
180.03824	3.9
185.06142	2.5
187.04016	2.5
187.07619	13.5
191.05667	6.1
201.05669	3.4
201.07451	2.0
202.06418	2.5
203.12871	1.9
205.08679	8.1
229.05104	2.4
231.10310	12.5
233.04559	2.4
233.06818	5.3
249.11353	19.8
275.09250	32.2
277.08792	2.3
277.51996	2.2
293.10025	10.4
293.16055	53.2
294.16464	2.6
303.22510	1.8
319.09610	3.2
336.60263	1.9
337.10992	3.1
356.39868	1.7
358.06354	1.7
365.18323	2.6
425.20346	57.7
426.20850	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	425.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24514	0.8
59.01387	25.5
59.28729	0.7
60.37874	0.8
61.98826	0.7
64.84030	0.7
69.33471	4.3
71.01392	10.8
72.99319	3.1
73.02955	3.1
75.00898	0.9
76.09823	0.7
80.09590	0.8
81.03468	1.1
83.01376	1.6
85.02953	3.6
86.59250	0.7
87.00900	12.2
89.02460	3.5
93.03473	1.2
97.06613	2.9
98.21851	1.5
101.01318	0.7
101.02471	6.7
103.00388	3.5
105.03472	1.3
107.05031	0.9
108.02222	1.3
108.52828	0.7
109.02967	15.0
112.98824	8.3
113.02465	3.9
114.05612	1.0
119.03487	1.4
121.02972	2.7
123.04549	1.0
130.99890	1.0
131.03471	1.8
133.02913	3.7
134.03767	100.0
135.04608	17.5
136.01712	7.4
137.02475	5.3
149.00960	13.1
151.04060	9.0
152.04279	0.9
161.04575	3.2
162.03270	2.5
170.29485	0.8
174.06963	1.0
177.01964	5.0
178.02739	10.6
179.03484	3.0
187.07692	2.0
193.29500	0.7
195.03032	6.2
202.06451	1.3
203.10815	2.9
213.09431	1.0
222.72725	0.7
231.10278	22.9
232.10640	2.6
249.11424	1.3
263.09204	1.9
263.12878	0.9
275.09311	11.8
276.09302	1.0
293.10361	51.7
293.16003	4.3
294.10599	4.0
365.21695	1.5
425.10928	1.2
425.19748	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	425.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	22.0
60.67534	1.3
69.28488	4.2
69.28889	2.1
71.01398	1.9
72.99310	6.4
85.06599	1.3
87.00888	20.8
97.06593	3.9
98.21873	2.5
103.00386	10.8
107.05014	1.4
109.02971	8.0
112.98819	20.1
121.02996	1.7
123.04536	1.6
130.99860	2.2
133.02972	18.8
134.03760	100.0
135.04567	31.4
136.01677	1.4
136.04922	1.3
137.02460	37.2
139.04037	2.3
149.00935	40.7
151.04031	7.9
177.01964	26.5
178.02747	58.3
179.03510	17.5
196.03789	8.7
228.17188	1.3
231.10237	9.1
249.11320	2.5
275.09280	24.5
276.09598	1.7
293.10364	49.3
294.10678	3.1
316.47278	1.2
328.04401	3.5
410.19528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	10.0
58.00605	1.4
59.01384	7.4
62.41424	0.7
69.03462	4.3
69.34550	3.0
71.01394	5.1
83.05051	1.1
85.02965	7.4
87.04528	13.6
89.02453	3.6
99.04530	1.1
101.02461	1.5
106.19003	0.7
111.04541	1.6
113.02442	9.6
119.03521	1.5
131.03520	100.0
132.03891	2.7
154.53818	0.7
179.05692	2.0
229.87932	0.8
425.11685	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	425.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01301	0.8
51.26453	0.8
51.92388	0.8
57.03454	12.5
58.00580	1.4
59.01384	13.8
69.03452	3.9
69.79238	3.7
71.01380	8.4
75.00876	2.8
83.05039	3.0
85.02957	7.1
87.04522	11.7
89.02457	11.6
95.60020	0.8
96.93327	1.0
99.04541	5.0
101.02453	6.2
111.04530	5.8
113.02458	11.8
116.81876	0.9
119.03495	3.3
123.04562	1.5
125.02449	1.2
130.08742	9.3
131.03513	100.0
131.09067	3.8
132.03851	2.6
141.05630	1.5
143.03442	1.2
148.04398	4.2
149.04636	2.2
150.03999	1.2
153.95859	0.9
156.22795	0.9
159.06654	1.4
161.04570	1.9
179.05594	4.0
293.08533	1.0
335.09695	2.0
398.25769	1.0
425.13052	3.0
439.87799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26802	0.9
57.03449	1.5
59.01383	11.1
60.01142	0.9
60.76759	0.8
61.98836	5.7
64.63441	0.9
69.03446	0.9
71.01395	6.0
71.40046	1.0
72.00908	13.7
73.02939	2.3
78.95897	4.8
82.02964	0.9
83.01385	3.6
85.02959	3.0
89.02435	4.9
92.99438	0.9
93.03452	1.0
96.96994	2.4
97.02951	1.5
100.00414	100.0
100.04046	5.1
101.00745	1.7
101.02432	5.2
107.04995	1.7
109.02975	6.9
113.02437	2.5
118.03130	1.1
121.02990	1.5
123.04533	4.4
125.02457	9.3
131.03423	1.2
133.02962	1.6
134.03748	1.4
135.04533	3.7
136.01704	1.1
137.02460	11.5
144.03032	78.2
145.03363	1.8
148.06305	1.1
149.02467	2.8
151.03992	9.5
161.02434	3.0
161.04588	2.5
161.06090	1.6
163.04028	1.8
173.00964	1.2
175.04022	6.8
177.01993	6.0
177.05595	1.0
179.03430	2.7
181.08748	2.4
185.06044	1.8
187.04016	4.4
189.01868	1.3
189.05531	1.2
192.04230	2.0
193.05052	2.0
195.14319	1.0
201.05481	1.3
203.07126	1.5
203.12766	1.1
205.05020	1.9
207.06592	4.3
211.04013	1.8
215.03555	1.0
217.05066	1.8
220.07315	1.4
229.05046	2.8
243.03018	1.9
245.08142	1.1
255.02959	6.2
256.03754	4.2
257.04538	1.8
263.07022	1.6
273.04086	4.4
281.04535	2.4
289.07242	1.2
293.16046	2.1
297.04269	1.6
297.07520	1.3
339.08713	4.3
365.18170	2.4
381.09711	1.4
399.30161	1.1
407.07675	31.5
408.08069	3.9
425.08887	3.7
425.14688	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	425.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49300	0.4
53.85068	0.4
68.77467	0.4
73.51040	0.5
74.99388	0.5
75.52787	0.4
97.08485	0.5
104.02665	1.2
105.03478	0.7
118.04230	1.1
123.08228	0.8
132.02171	0.6
133.02965	2.0
145.02943	2.5
148.01678	1.9
157.06609	0.7
161.02461	1.5
162.03189	1.4
173.06110	1.1
177.01981	3.2
182.65161	0.4
185.06091	0.8
189.01929	12.3
190.02727	11.0
196.05383	0.5
201.01965	1.0
201.05568	2.0
203.03499	1.1
204.04309	2.8
211.07660	2.6
216.04268	1.4
222.01622	2.3
225.09192	1.4
229.05087	6.6
230.05775	1.3
236.03281	1.3
243.06635	3.1
243.59003	0.5
244.07396	1.2
253.05119	1.3
255.06671	1.9
256.14557	0.5
265.12283	0.7
267.06644	4.0
267.09207	0.7
268.07040	0.6
269.08206	27.8
270.08609	3.0
283.13266	0.6
298.23068	0.5
311.12891	14.0
312.10049	0.7
312.13281	1.3
313.10849	10.5
314.11221	0.9
327.12323	3.1
328.13177	39.1
329.13516	4.9
335.07733	3.4
343.15509	100.0
344.15839	10.9
353.08929	1.4
395.09985	1.7
410.12418	0.7
425.09232	0.3
425.14597	8.2
426.14740	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80838	0.8
55.99945	0.8
60.05692	0.8
70.33084	1.8
81.49810	0.8
90.26891	0.9
118.04274	0.9
151.78770	0.9
161.50214	0.9
162.03206	1.3
171.08163	1.0
189.01942	3.7
190.02753	7.0
199.07684	3.3
201.01973	2.1
203.03491	2.4
204.04150	0.8
213.77350	0.8
222.01804	1.5
227.06970	1.0
229.05161	1.1
230.05753	1.0
243.06622	47.9
244.07005	4.5
245.08156	1.0
257.08163	7.0
258.08932	1.0
259.06125	1.1
271.09848	1.2
272.01944	1.1
283.04617	1.3
304.00635	1.0
311.12894	6.1
325.05615	3.3
326.05899	0.9
327.12711	0.9
328.13190	34.3
329.13513	3.6
343.15512	100.0
344.15808	9.9
358.09085	0.9
425.14572	9.3
426.15015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.1
59.06768	1.6
61.98817	1.5
69.84212	5.3
73.14220	1.6
98.78898	1.4
99.92599	6.3
102.61163	1.7
110.36303	1.5
118.04270	11.7
134.03761	2.7
145.02982	7.0
162.03198	10.2
182.40482	1.9
188.86681	1.6
189.01938	19.6
190.02724	92.6
191.03107	3.0
197.06134	2.7
204.04242	3.2
205.05070	15.0
215.02007	3.0
222.01561	2.2
233.02991	2.1
259.06113	3.5
271.00757	1.4
272.01910	2.8
272.95239	1.5
304.00684	3.6
305.05215	8.1
310.12198	2.0
325.14490	3.2
328.13177	9.8
341.13971	2.1
343.15506	100.0
344.15936	10.7
388.06403	2.4
408.06696	3.2
425.14658	5.6
426.07916	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	425.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13799	0.4
53.73619	0.4
55.01872	0.7
56.48664	0.4
57.37960	0.4
58.61980	0.4
59.01382	21.8
61.19630	0.4
69.35595	2.2
71.01386	14.1
73.02950	8.7
75.33311	0.5
81.03477	0.5
83.01395	1.4
85.02950	1.5
85.06589	14.0
86.06974	0.5
89.02451	21.4
93.03455	0.4
97.02968	1.1
99.00884	19.6
101.02448	9.2
109.02982	0.7
113.02464	1.9
113.06116	1.1
115.07626	1.1
119.03487	0.6
121.76616	0.5
125.02434	2.5
127.07645	0.9
131.03525	4.0
131.07147	39.3
132.07486	1.0
137.02437	3.3
140.31192	0.4
144.18094	0.5
149.04564	5.4
159.72270	0.5
161.04581	0.7
167.03494	0.5
175.03963	0.7
191.05614	4.1
216.54185	0.4
219.32938	0.5
241.05090	1.2
256.03854	0.5
257.04456	1.0
259.06262	0.4
263.81470	0.5
287.05743	1.4
293.12494	1.3
301.81042	0.5
335.40738	0.4
407.07767	1.6
425.16669	100.0
426.17020	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	425.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03448	1.0
59.01385	33.0
60.01715	0.7
64.62067	0.6
65.00314	0.6
65.03965	0.9
69.03451	1.5
71.01389	23.6
71.17143	0.7
73.02957	12.7
75.00880	0.9
82.95420	1.1
83.01376	3.5
85.02950	4.1
85.06112	1.1
85.06599	16.3
87.00897	1.5
89.02453	33.5
96.96984	1.6
97.02942	1.3
99.00890	24.4
101.02451	14.7
107.05025	2.7
108.02158	1.1
109.02962	7.9
113.02460	3.1
113.06085	0.9
115.07697	1.3
119.03527	1.8
121.02941	1.7
121.19693	0.6
123.04556	4.9
125.02455	6.7
129.09282	0.8
131.03503	5.1
131.07156	51.5
132.07495	1.1
133.02956	2.1
135.04520	1.5
137.02473	5.0
147.04552	1.1
149.02489	2.0
149.04585	5.8
151.04044	8.9
158.54941	0.7
159.04494	1.4
161.02444	2.5
161.04570	2.7
161.06126	1.1
163.04027	2.3
175.04012	8.1
177.01891	4.7
187.04042	5.0
188.04700	0.8
191.05632	7.6
193.05136	1.1
199.03986	1.0
205.05066	1.4
211.03894	1.3
213.05659	1.2
215.03496	1.5
217.04999	1.4
221.01367	1.2
227.03419	1.5
228.04430	1.2
229.05064	3.4
241.04987	1.1
243.02992	1.8
255.02986	7.5
256.03687	3.7
257.04413	1.0
263.02368	1.7
273.04028	3.0
279.14517	1.7
281.04535	2.0
283.02567	0.8
285.04120	2.2
287.05450	0.8
293.12473	1.5
297.04358	0.8
314.92801	0.8
339.08759	3.7
381.09726	1.2
407.07776	32.7
408.08054	4.1
425.08026	2.9
425.09183	2.8
425.16663	100.0
426.16962	11.2
426.22412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1823
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
57.03463	4.0
59.01370	14.5
61.98833	9.6
69.25635	22.7
71.01377	9.7
89.12826	3.7
97.02958	7.9
98.37216	4.4
105.07103	6.8
108.05835	7.2
109.02931	7.7
109.06615	7.0
111.00917	7.7
111.04527	6.7
113.02448	5.4
113.06052	13.2
121.02987	4.2
122.03761	8.1
123.08160	10.5
125.02437	7.6
125.06092	21.9
125.33471	4.0
135.04507	5.7
136.05344	10.9
137.06087	6.6
138.06857	17.1
139.07658	33.2
148.05330	3.9
151.06548	5.7
151.07669	68.5
152.04747	8.1
152.08440	30.5
153.09235	29.5
157.00954	4.1
159.11806	7.8
161.09650	5.1
163.07668	6.9
185.09685	3.9
186.10358	3.6
189.09175	4.4
191.03511	7.4
201.12837	24.0
203.10770	14.6
204.11565	44.6
219.13890	74.4
220.14215	6.0
245.11871	10.1
251.99632	4.8
257.04514	4.7
263.09277	19.0
263.12851	100.0
264.13080	9.8
269.04578	7.9
287.12854	11.2
305.14090	5.6
425.14297	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	425.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	21.1
60.20598	3.2
64.79132	3.7
69.40917	16.7
71.01402	3.1
87.00883	20.1
96.96037	14.0
103.00389	7.0
107.68209	3.3
112.98808	17.0
127.87479	3.7
133.02968	12.7
134.03760	100.0
135.04581	25.2
149.00948	16.1
165.05573	7.2
177.01959	13.9
178.02753	30.9
179.03496	11.9
219.13945	3.4
231.10291	8.9
238.42477	3.4
275.09283	13.0
293.10358	94.2
294.10590	7.1
300.09906	3.8
315.12439	5.9
343.14499	3.2
395.08081	6.1
425.09100	20.0
425.19540	14.0
446.23016	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	425.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	21.1
60.20598	3.2
64.79132	3.7
69.40917	16.7
71.01402	3.1
87.00883	20.1
96.96037	14.0
103.00389	7.0
107.68209	3.3
112.98808	17.0
127.87479	3.7
133.02968	12.7
134.03760	100.0
135.04581	25.2
149.00948	16.1
165.05573	7.2
177.01959	13.9
178.02753	30.9
179.03496	11.9
219.13945	3.4
231.10291	8.9
238.42477	3.4
275.09283	13.0
293.10358	94.2
294.10590	7.1
300.09906	3.8
315.12439	5.9
343.14499	3.2
395.08081	6.1
425.09100	20.0
425.19540	14.0
446.23016	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	425.1952
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
53.42509	7.6
59.01381	39.0
61.98820	21.1
70.59099	14.8
71.01392	21.2
85.02942	9.5
87.00867	12.8
89.02460	10.2
93.03477	8.2
94.87828	7.6
96.96017	19.0
98.15901	7.2
101.02425	14.6
109.99892	7.0
111.04473	6.5
115.00447	7.4
119.95186	6.7
133.02921	11.3
134.03738	33.6
135.04533	16.3
137.02419	8.9
149.00914	9.3
161.04608	7.9
169.06837	8.1
177.01979	9.1
178.02629	12.0
182.61066	7.8
191.05577	13.6
213.18121	8.1
231.10175	11.3
263.05972	12.0
275.09216	21.2
293.10306	40.4
293.16040	12.2
297.29987	6.7
387.20181	8.3
425.10779	10.1
425.19635	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	425.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	21.1
60.20598	3.2
64.79132	3.7
69.40917	16.7
71.01402	3.1
87.00883	20.1
96.96037	14.0
103.00389	7.0
107.68209	3.3
112.98808	17.0
127.87479	3.7
133.02968	12.7
134.03760	100.0
135.04581	25.2
149.00948	16.1
165.05573	7.2
177.01959	13.9
178.02753	30.9
179.03496	11.9
219.13945	3.4
231.10291	8.9
238.42477	3.4
275.09283	13.0
293.10358	94.2
294.10590	7.1
300.09906	3.8
315.12439	5.9
343.14499	3.2
395.08081	6.1
425.09100	20.0
425.19540	14.0
446.23016	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	425.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12074	0.9
69.32999	5.0
75.20916	1.0
83.05014	0.9
87.00872	1.3
87.54375	0.9
99.92557	1.2
100.97762	3.0
102.26067	1.0
105.01942	3.2
125.62811	0.9
161.16133	0.9
183.01242	1.1
279.23309	100.0
280.23712	8.6
337.19174	53.2
338.19321	6.1
342.36829	1.1
367.24976	6.6
425.20847	18.4
426.21057	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	425.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00327	0.3
56.94474	0.3
59.01384	0.5
61.98845	1.4
61.99099	0.3
69.03468	0.8
69.28290	1.1
71.05027	20.7
78.50637	0.3
97.02959	6.0
98.03352	0.3
99.70717	0.3
111.08177	0.6
115.04024	100.0
116.04362	2.3
126.42368	0.3
127.19214	0.3
150.95473	0.3
167.14452	0.3
181.12349	1.5
183.13817	0.8
190.75105	0.3
191.24876	0.3
191.65692	0.3
193.12334	0.7
197.11902	1.4
208.45564	0.3
211.13406	8.7
212.13683	0.5
221.11812	0.5
229.14507	0.7
242.69173	0.4
271.50250	0.3
291.19705	2.3
292.20023	0.4
309.20740	14.0
310.21042	1.1
327.21793	3.2
425.19559	0.5
425.25467	10.3
426.25980	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	425.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	34.3
71.12689	27.2
94.55582	25.7
99.99549	23.9
116.92880	28.2
125.87379	45.3
190.02744	41.2
252.20859	31.0
328.12973	50.5
343.15460	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	426.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
58.13463	0.7
59.01385	3.8
61.98834	100.0
68.01199	0.7
70.26099	0.7
71.01381	1.9
75.00877	1.4
85.02988	1.1
89.02453	1.6
90.61105	0.6
96.96027	8.9
101.02427	1.2
109.02973	1.1
123.04536	1.2
125.02469	2.5
134.03740	0.7
135.04552	1.3
137.02408	1.4
137.93402	0.7
151.04091	1.3
152.04344	0.7
161.02477	1.8
175.03966	1.4
177.01950	0.8
189.05818	0.7
191.05574	1.8
209.02852	1.5
270.05573	0.9
305.72278	0.7
408.08051	3.8
427.07178	2.7
427.20218	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	426.968
Annotation	2,10-Dibromo-3-choloro-7,8-epoxy-9-chamigranol
Peak:m/z	Relative Intensity
59.01385	3.3
61.98825	2.9
64.83732	1.6
75.58782	1.6
79.95744	63.8
80.96524	100.0
93.92673	1.5
98.21805	3.8
116.92802	2.0
121.14414	1.9
151.56493	1.7
181.02287	1.8
216.99043	2.3
243.06561	10.7
244.07056	6.3
254.98679	3.2
282.98224	1.8
295.22717	12.5
326.11615	2.4
327.11914	5.0
341.13919	9.4
342.14331	10.6
386.95471	4.6
406.96103	32.6
426.96835	92.9
427.96951	3.5
440.29404	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01341	0.7
57.03485	0.7
59.01387	6.3
61.98836	5.3
62.56236	0.6
67.01899	1.8
69.03448	1.1
70.98431	1.1
71.01398	4.4
71.01742	0.6
72.40679	0.7
72.84325	0.8
73.02928	1.7
74.46426	0.7
81.03414	0.9
83.05010	1.2
85.02957	9.4
87.00898	5.3
88.00430	0.9
93.03458	12.6
97.40531	0.7
99.04482	0.8
101.02443	2.2
107.05057	1.1
109.02982	0.8
111.04546	2.6
113.02461	2.6
118.48347	0.7
119.03464	0.8
121.02993	0.8
123.04543	1.0
127.04031	2.2
133.02959	1.9
134.03754	0.9
134.19331	0.7
135.04532	19.7
139.03992	1.0
145.03023	1.0
147.04517	5.8
149.02472	2.3
151.04028	2.2
155.03473	1.4
161.01100	1.5
161.02457	29.6
161.04518	1.5
162.02876	1.2
163.04028	17.3
173.02461	1.9
173.04539	3.6
174.03224	1.7
175.04004	19.0
176.04527	1.1
181.03276	1.5
191.01834	10.4
191.05626	81.5
192.01984	0.8
192.05977	2.2
192.99699	1.7
201.01854	1.1
205.08643	0.8
209.02786	64.9
210.03128	4.2
216.99666	3.1
235.00728	19.6
235.11829	1.9
236.01086	1.6
253.01784	11.2
342.29538	0.8
381.17673	2.1
382.07477	0.7
427.07077	100.0
427.12045	4.5
428.07416	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	427.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	8.5
62.78424	0.8
64.97247	0.7
66.36763	0.7
66.38898	0.7
80.90471	1.0
83.93140	1.1
84.93894	3.6
99.92593	46.0
100.92674	2.1
100.93367	28.0
101.93397	0.9
115.92089	49.9
116.92870	100.0
117.92881	3.6
117.93639	1.2
118.89928	1.0
119.57603	0.8
125.74607	0.8
137.09766	0.8
197.99969	1.6
209.11749	1.0
267.03293	1.0
269.09290	1.1
293.04877	13.5
294.05029	1.9
307.06454	1.1
309.04553	1.2
310.05139	1.1
311.05972	1.2
312.07819	1.4
322.05246	8.9
327.21954	1.7
354.08698	0.9
373.11069	15.2
374.11380	2.1
387.09030	1.8
391.12204	17.2
392.12320	1.8
405.10172	4.1
409.13150	2.8
427.14297	20.0
427.19357	1.4
427.25140	0.9
428.14865	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	427.1614
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
59.01387	10.1
68.63651	0.3
71.01390	4.1
73.02956	1.5
77.99424	0.3
83.01403	0.8
84.05437	0.3
85.02528	0.3
85.02956	1.7
87.00903	0.4
89.02456	2.3
90.88528	0.3
91.05599	0.3
98.21854	1.2
99.00914	0.4
101.02451	3.5
106.04257	0.3
107.05067	1.1
113.02439	1.5
117.03503	1.4
119.03534	0.5
121.03032	0.3
123.04533	0.3
132.02187	1.1
133.02972	22.0
134.03786	10.3
135.04544	52.8
136.04858	2.6
137.02480	1.7
139.04041	0.6
139.75580	0.3
161.02463	75.2
162.02798	4.0
162.57716	0.3
165.09230	0.3
165.50334	0.3
178.02763	0.9
179.03519	24.4
180.03831	1.5
182.05365	0.3
229.66843	0.3
247.09979	0.6
265.10916	1.7
268.62094	0.3
293.10480	0.3
333.57831	0.3
377.69934	0.3
427.16101	100.0
428.16452	11.1
431.33640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.1
68.63651	0.3
71.01390	4.1
73.02956	1.5
77.99424	0.3
83.01403	0.8
84.05437	0.3
85.02528	0.3
85.02956	1.7
87.00903	0.4
89.02456	2.3
90.88528	0.3
91.05599	0.3
98.21854	1.2
99.00914	0.4
101.02451	3.5
106.04257	0.3
107.05067	1.1
113.02439	1.5
117.03503	1.4
119.03534	0.5
121.03032	0.3
123.04533	0.3
132.02187	1.1
133.02972	22.0
134.03786	10.3
135.04544	52.8
136.04858	2.6
137.02480	1.7
139.04041	0.6
139.75580	0.3
161.02463	75.2
162.02798	4.0
162.57716	0.3
165.09230	0.3
165.50334	0.3
178.02763	0.9
179.03519	24.4
180.03831	1.5
182.05365	0.3
229.66843	0.3
247.09979	0.6
265.10916	1.7
268.62094	0.3
293.10480	0.3
333.57831	0.3
377.69934	0.3
427.16101	100.0
428.16452	11.1
431.33640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2338
Annotation	Nummularine F
Peak:m/z	Relative Intensity
56.09543	5.6
56.18232	5.5
59.01383	72.5
69.95849	19.0
71.01392	34.6
74.35815	6.6
75.13004	5.7
77.58839	5.4
79.93726	5.0
80.86137	5.2
89.02448	25.0
98.22618	8.3
101.02428	21.7
102.98614	5.2
105.05374	6.3
109.79247	6.0
113.02460	12.0
116.92867	14.6
119.03528	14.5
125.17186	6.6
139.07617	6.5
153.84482	6.7
247.16916	9.6
252.50586	7.2
265.18094	21.3
336.12357	13.1
354.13461	16.4
399.83051	6.9
427.23407	100.0
428.17398	13.5
428.23383	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89864	1.4
59.01384	100.0
61.98825	1.5
66.13600	1.2
70.84542	2.4
73.35693	1.3
82.46174	1.2
83.08735	1.2
94.12115	1.4
102.16656	1.2
102.46604	1.4
107.77557	1.3
181.60980	1.5
287.22281	4.9
293.21140	8.9
311.22247	4.0
403.65829	1.5
407.59879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87237	6.8
59.01380	100.0
61.98826	11.2
69.67622	20.0
69.67998	11.3
76.19209	5.2
82.48373	5.5
92.92817	5.2
98.22581	10.8
99.59069	6.3
144.56375	6.1
156.46526	6.3
224.21980	6.0
233.70512	6.7
311.22211	8.8
360.96008	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72660	18.9
61.98784	17.2
67.93661	16.0
69.34418	100.0
78.69868	16.2
79.69167	17.0
102.43163	18.7
115.92061	39.8
116.92877	39.5
123.05415	18.9
233.70163	16.0
427.27310	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79610	11.0
59.01381	17.7
61.98841	17.7
62.04745	11.2
69.42252	32.3
69.42632	18.5
74.65917	10.3
76.63992	10.9
98.21976	28.0
115.04044	100.0
116.04435	11.9
177.56374	13.7
192.38094	12.7
201.11424	16.4
221.15500	19.1
261.57410	13.0
329.23035	21.8
335.06763	12.5
427.27057	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
57.13885	1.0
59.01080	2.2
59.01381	39.1
61.98823	1.3
71.01391	24.6
71.05008	1.9
73.02947	3.7
74.02464	1.2
83.01411	1.2
83.05024	1.7
84.38139	1.1
85.02980	6.4
86.81561	1.2
87.00905	2.0
89.02449	5.1
95.01378	1.7
96.96056	1.4
97.06640	1.6
99.04569	1.5
101.02440	8.3
105.01880	1.6
111.00916	1.3
113.02451	7.2
115.00392	19.3
119.03503	2.7
128.03543	3.0
133.03014	1.6
134.03735	1.3
135.04507	3.8
138.90236	1.3
147.11795	1.7
160.04117	1.4
161.02419	3.0
161.04498	1.8
162.05692	1.4
166.05452	1.3
167.06154	26.1
168.06355	1.2
184.06248	2.3
187.14935	2.4
192.05673	1.3
199.29810	1.3
207.09380	1.8
209.07213	82.1
210.07545	5.7
223.08743	4.5
223.13702	1.3
233.07259	1.7
234.06734	2.1
235.08794	2.4
236.08290	4.2
251.08284	3.7
252.07797	43.1
253.06007	7.7
253.08395	2.6
262.09924	8.0
267.16089	2.1
278.09326	1.6
280.10962	15.8
285.20703	1.7
294.08957	7.1
297.17065	2.5
299.18448	1.7
304.11060	1.9
306.08743	2.6
324.09921	40.0
325.10056	2.9
336.67590	1.4
343.24893	3.9
350.07745	4.3
366.10760	5.4
367.11063	1.7
368.08902	100.0
369.09198	9.7
369.19073	3.6
384.42233	1.3
387.20343	4.9
387.51614	1.4
410.10120	9.2
428.11084	11.2
429.20905	17.0
429.26443	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	428.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23191	0.4
61.98843	2.6
66.28754	0.5
69.23283	2.1
69.23675	0.9
98.22671	0.6
104.02688	1.0
113.54639	0.4
118.04288	0.5
122.13626	0.4
133.02983	1.4
145.03011	2.1
148.01688	1.4
157.06616	0.4
161.02463	1.3
162.03204	1.3
169.63864	0.5
173.06078	0.6
177.01955	2.0
185.06119	1.0
189.01938	8.2
190.02737	8.7
191.03087	0.8
201.02003	1.1
201.05568	1.9
203.03471	0.9
204.04315	1.9
211.07634	1.7
216.04326	1.3
222.01694	1.2
222.09303	0.5
225.09190	0.7
229.05064	5.0
230.05809	1.1
236.03278	1.4
243.06630	2.6
244.07314	0.9
253.05104	1.3
255.06656	1.7
267.06766	2.3
269.08206	22.2
270.08536	2.2
283.13394	1.1
295.09753	0.8
299.41013	0.5
311.12891	10.3
312.13104	1.0
313.10809	9.3
327.12341	2.2
328.13159	34.5
329.13486	2.8
336.07147	0.4
343.15503	100.0
344.15823	11.2
346.16263	1.0
398.07330	1.4
413.09949	0.5
428.12759	3.8
429.13074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.0
69.57233	0.5
70.06975	1.7
91.52888	0.6
133.02930	0.7
135.18962	0.6
148.01642	1.3
161.02463	1.2
171.08205	1.1
187.07687	1.1
189.01949	2.7
190.02704	4.6
199.07666	3.1
201.01938	1.6
201.05624	0.9
203.03497	3.5
216.04242	1.0
219.62897	0.7
222.01683	1.6
229.05084	0.8
230.05936	1.3
243.06630	54.7
244.07062	3.7
257.08200	5.7
258.08969	1.0
259.06107	1.8
311.12842	6.5
313.10452	0.7
327.12177	1.0
328.03000	1.3
328.13181	33.6
329.13507	3.6
343.15515	100.0
344.15897	9.7
428.12222	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	428.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88467	0.2
59.01379	0.8
59.80051	0.2
61.98834	0.6
67.17831	0.1
68.18263	0.1
69.03467	0.9
70.85369	0.2
71.01389	0.6
71.05029	1.7
78.95910	0.2
85.02953	0.2
89.02452	0.3
92.02560	0.7
93.76537	0.2
96.96973	0.2
97.02951	0.6
101.02472	0.3
107.03654	3.9
113.02482	0.8
115.04025	8.0
116.04348	0.2
119.03548	0.3
126.98914	0.1
132.04590	0.6
134.04745	100.0
135.05229	2.0
155.02037	0.4
161.02454	0.2
181.03552	0.2
185.01352	0.2
197.03015	0.2
201.21327	0.2
207.37064	0.2
210.99155	0.3
266.08951	0.3
274.24316	0.2
292.99072	0.2
315.05798	0.2
368.98413	0.4
369.13693	0.2
429.08047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88854	6.2
59.01386	61.5
61.98831	24.4
71.01391	29.0
73.02951	13.5
73.58083	6.1
74.02498	7.7
75.00882	14.9
78.95944	6.4
80.67944	6.2
82.95457	6.3
85.02962	9.5
88.04041	12.4
89.02472	28.0
96.00939	13.5
96.29791	5.9
99.92603	11.0
101.02447	10.2
113.02478	8.1
115.92097	12.2
116.92829	32.7
119.03542	8.8
127.05127	6.9
128.03563	10.0
129.10364	13.0
130.08759	16.5
133.03052	7.3
134.03754	99.7
135.04558	24.5
137.02490	8.0
145.06186	7.2
149.02492	7.3
149.06119	36.6
161.02489	13.1
161.04630	8.5
178.02756	33.5
179.03430	8.3
179.05663	13.8
191.05547	14.9
193.05051	53.0
200.14145	8.8
209.02783	18.5
210.03076	13.8
238.45227	6.2
253.01743	8.5
254.02092	7.0
281.11359	6.0
301.69086	6.7
411.21988	9.0
428.19794	7.8
428.24939	33.6
429.13950	100.0
429.23608	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34999	2.1
56.26917	2.1
59.01385	100.0
61.75444	2.2
61.98834	3.5
71.01383	20.2
73.02962	19.3
74.02466	4.0
83.01394	4.1
85.02951	5.7
87.00864	3.5
89.02435	14.1
93.03462	4.6
97.02910	2.5
101.02460	19.5
103.04043	3.0
109.02943	4.4
113.02440	9.0
119.03516	6.9
125.02390	3.1
134.03708	4.2
135.04543	21.6
136.04816	4.7
137.02440	7.4
149.02386	3.0
149.04483	3.2
161.04582	3.5
163.11247	12.5
179.03452	8.4
180.03815	3.8
205.07008	2.7
205.12299	4.1
291.10791	2.2
343.08719	2.6
369.15369	3.3
387.16617	8.8
428.20047	2.7
429.13104	3.7
429.17673	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33246	9.6
55.79796	10.9
59.01382	84.8
70.30327	15.5
70.30640	17.2
71.01392	74.4
85.02947	18.9
89.02453	100.0
93.93989	10.0
101.02441	24.3
108.02178	17.9
113.02486	21.3
117.89629	10.8
119.03509	31.7
123.04557	15.5
131.03497	9.6
152.01173	34.4
153.09233	28.9
161.04529	28.0
167.03528	72.0
179.05630	33.7
223.13348	14.3
385.18713	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	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
67.57495	9.3
70.69942	13.5
71.01380	46.2
73.02944	10.4
76.94756	7.9
82.94387	8.7
85.02965	13.9
86.25623	8.2
89.02467	51.5
101.02460	31.0
113.02425	22.2
116.74921	8.2
117.87601	8.3
119.03503	19.1
123.62563	8.4
161.04555	25.8
179.05623	27.3
197.05424	8.4
223.13388	9.6
280.25659	9.0
296.95267	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	428.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23996	48.3
59.87959	68.3
60.22897	56.7
61.98810	100.0
67.08445	49.2
70.51007	65.5
72.57451	60.3
75.22247	53.7
90.51955	63.3
96.96026	58.9
97.47647	58.2
172.02803	61.7
193.13437	55.9
273.06281	60.5
394.87973	65.1
445.22055	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77689	19.6
61.98835	33.7
64.50961	20.4
69.34303	100.0
78.48269	20.6
79.95747	36.6
80.96530	61.3
97.75768	21.5
201.01974	24.3
243.49893	19.0
258.14539	18.6
259.06161	27.7
328.13138	23.0
343.15421	72.5
427.96875	35.2
428.96259	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22034	0.4
59.01383	5.1
71.01379	1.2
72.99313	2.0
75.00896	2.5
85.02952	0.8
89.02485	1.2
90.85448	0.4
101.02470	0.8
105.01948	100.0
106.02313	2.1
132.02219	0.8
133.02969	17.7
134.03818	2.2
135.04541	22.3
136.04871	1.1
161.02464	80.2
162.02827	2.9
177.26378	0.4
179.03534	9.7
180.03749	0.6
193.05095	0.8
205.05008	2.3
223.02730	0.4
267.05121	52.2
267.16037	1.0
268.05692	3.5
269.04593	0.5
302.70047	0.5
429.08340	2.3
429.21301	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	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11383	1.5
59.01384	14.7
61.98849	1.8
67.12636	1.6
69.45747	2.8
69.46146	5.0
71.01394	11.6
72.99323	2.3
75.00893	5.4
79.54230	1.4
85.02971	5.3
87.00880	7.8
88.04090	1.9
89.02483	7.5
92.05016	2.0
93.03500	1.8
93.40576	1.4
93.47023	1.5
101.02450	4.8
102.05629	2.0
105.01941	55.4
106.02302	1.5
111.01037	1.4
113.02493	7.9
117.03495	2.0
119.03492	2.5
119.05033	2.9
120.99721	1.8
123.04495	1.9
128.03568	3.7
130.08771	1.7
132.02167	2.3
133.02966	16.8
134.03741	14.4
135.04538	97.8
136.04872	3.3
137.02469	3.3
149.06100	6.7
154.22162	1.3
160.01700	6.3
161.02457	100.0
161.71765	1.7
162.02844	3.6
169.58435	1.4
173.01123	1.4
178.02707	4.0
179.03506	88.7
179.07074	2.9
180.03914	4.9
193.05115	8.1
193.48831	1.7
219.06541	2.9
236.83199	1.7
258.36127	1.5
267.04965	6.2
267.07333	15.3
268.92075	1.5
276.10898	1.4
303.35852	1.5
323.07721	79.3
324.08224	6.3
341.08789	21.2
429.09802	24.6
429.23593	4.0
430.10229	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	429.1405
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
55.01884	0.6
56.81179	0.4
57.03443	1.2
58.21531	0.5
59.01382	13.8
61.98832	0.7
62.07079	0.5
64.44922	0.4
71.01387	8.9
71.39988	0.5
73.02936	1.7
75.00874	0.6
80.91698	0.5
83.01383	1.2
85.02958	3.4
87.00899	0.8
89.02454	5.5
90.49167	0.6
93.03464	0.6
93.94305	0.5
95.01404	0.7
96.96038	0.9
97.03002	0.6
98.95549	0.6
99.00920	0.5
101.02449	5.7
105.03469	0.7
105.05600	1.3
109.02979	1.0
113.02469	3.0
117.03508	1.6
119.03520	2.2
119.05009	1.0
121.03007	0.5
123.04594	0.5
125.02444	2.0
127.52026	0.5
132.02190	1.2
133.02968	25.2
134.03793	5.1
135.04543	19.2
136.04825	0.8
137.02480	1.3
138.03258	0.5
149.06078	1.4
151.04086	0.7
153.01999	0.6
155.31741	0.5
159.04556	0.6
161.02455	100.0
161.05927	2.2
162.02820	4.1
163.00374	0.8
163.04033	2.4
164.04747	0.5
165.05630	0.7
175.07574	0.6
178.02707	1.2
179.03528	8.3
179.05284	0.8
179.05585	0.7
193.05031	2.7
208.07387	1.0
249.07724	4.8
267.08618	3.6
267.10892	0.5
374.84186	0.5
415.82983	0.5
429.14005	51.3
430.14169	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	429.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64238	0.4
56.53215	0.4
59.01381	5.1
63.85661	0.4
70.02993	1.0
71.01392	2.8
71.05036	0.8
73.02950	0.8
80.22060	0.5
83.85344	0.4
85.02967	0.7
89.02454	3.4
93.03474	0.9
99.00910	0.5
101.02460	1.8
106.04291	0.4
109.02966	0.7
113.02411	0.9
116.92873	0.5
119.03519	0.8
121.02975	1.7
123.04525	1.5
124.68806	0.4
133.02979	1.7
134.03754	61.0
135.04146	1.7
137.02464	4.0
139.04041	1.4
146.08243	3.3
149.06097	19.8
150.03267	0.5
150.06412	0.7
153.05551	2.1
153.10364	3.1
161.02415	0.4
178.02730	31.2
179.03169	1.6
179.05595	0.7
180.15199	0.5
182.93878	0.7
185.16795	0.4
191.05495	0.5
191.07077	0.5
193.05072	100.0
194.05438	6.0
217.11923	0.7
235.06102	1.0
241.11949	0.5
256.12628	0.4
267.08755	7.2
277.12302	5.6
279.12039	1.0
281.18985	0.5
285.23138	0.4
300.39932	0.4
303.72028	0.4
308.78760	0.6
402.81421	0.5
429.13608	1.9
429.18616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03458	0.5
59.01384	6.5
61.98826	1.0
69.73030	0.4
69.73393	1.4
70.71281	0.4
71.01385	4.2
73.02952	1.4
81.04215	0.4
83.01395	0.9
85.02961	2.6
87.00872	0.4
89.02464	1.8
95.01403	0.6
95.64037	0.4
97.02934	0.4
98.21895	0.3
101.02470	3.5
107.05035	2.1
108.02210	0.6
113.02467	1.8
117.03477	1.1
119.03542	0.7
121.02969	0.6
123.04508	0.7
125.02469	1.0
132.02156	0.6
133.02972	20.2
134.03772	8.1
135.04538	100.0
136.04857	4.8
137.02441	0.9
147.47531	0.3
149.06017	0.5
151.04005	0.4
152.01120	0.4
161.02460	56.2
162.02812	2.4
163.04076	0.4
167.03532	0.9
179.03508	46.8
180.03850	2.1
249.07785	0.8
267.08652	1.8
429.14017	80.3
430.14417	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	429.1403
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
53.38048	0.4
55.01881	0.6
57.03451	0.7
59.01382	10.0
61.98817	0.5
69.63322	1.4
71.01386	7.7
71.01744	0.8
73.02939	2.4
83.01428	1.1
85.02964	3.4
89.02451	3.0
91.05602	0.5
95.01398	0.7
98.21925	0.5
99.00924	0.5
101.02446	5.6
103.71555	0.4
105.05587	1.2
107.05027	1.9
108.02187	1.2
109.02956	0.5
113.02446	2.7
117.03467	1.5
119.03536	0.6
122.40542	0.4
123.04550	1.0
125.02489	0.7
132.02184	1.6
133.02968	32.4
134.03802	6.4
135.04538	86.2
136.04846	4.0
137.02444	0.8
143.03511	0.4
152.01196	1.8
159.03085	0.5
161.02458	100.0
162.02765	4.0
163.00313	0.6
163.04050	0.4
164.47125	0.5
167.03508	3.5
178.02672	0.4
179.03510	28.2
180.03865	1.4
206.09415	0.6
207.10301	0.8
249.07712	0.9
267.10980	1.5
367.17447	0.6
371.29755	0.5
429.14026	89.6
430.14392	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	429.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94550	1.0
59.01342	1.2
61.98840	14.8
69.46317	4.6
77.39812	1.0
84.93869	3.3
87.36906	1.0
98.21935	2.0
99.92594	48.7
100.92664	3.2
100.93363	36.5
101.93383	1.5
105.68414	1.0
115.92088	59.7
116.92213	4.7
116.92872	100.0
117.92877	6.1
118.89954	1.6
174.33298	0.9
187.49361	1.0
226.17120	0.9
249.05966	1.6
255.03368	1.0
267.03125	1.9
293.04898	12.8
294.05276	2.2
299.65106	1.0
311.05856	1.3
312.07504	1.8
329.23260	3.6
375.12729	19.2
376.13004	2.0
389.10501	2.4
393.13831	23.5
394.13849	4.4
407.11612	6.1
408.11780	1.3
411.14761	4.2
429.15854	21.7
429.20453	0.9
430.16574	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02240	6.1
56.50683	7.2
57.03463	7.7
58.68740	6.9
59.01385	100.0
69.42447	31.8
71.01389	34.8
73.02952	15.6
74.02474	7.4
81.85099	6.9
83.01389	11.3
85.02943	12.6
87.00907	10.4
88.04040	17.5
89.02461	21.6
94.18982	6.6
98.21809	7.1
100.79510	7.0
101.02468	22.4
103.04020	20.9
109.02972	9.3
113.02448	13.5
117.03454	6.6
119.03472	7.4
121.02940	13.7
123.04528	7.8
125.02433	33.0
130.08755	25.5
134.03752	21.4
135.04538	34.9
137.02460	13.9
137.06079	14.7
152.01202	8.1
153.01985	11.1
161.02464	13.7
165.27475	6.6
167.03532	13.5
167.93315	6.4
179.03540	24.3
179.05493	6.1
181.05035	51.6
193.05060	23.1
206.09622	9.0
207.10277	7.7
267.15948	7.7
325.09320	9.0
385.24463	15.4
387.20056	8.8
394.19656	13.5
408.56403	7.5
411.07224	6.5
429.13464	21.6
429.17944	22.9
429.27200	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	429.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
56.67311	0.8
57.03443	2.2
58.00577	1.4
58.31413	0.8
59.01386	100.0
60.01727	1.1
61.98844	1.3
69.03467	1.4
71.01391	41.9
71.41844	1.2
72.99294	2.0
73.02949	3.6
74.02486	1.7
74.84658	0.9
81.07092	1.5
81.94721	0.9
83.01392	2.6
83.05008	0.9
85.02968	9.3
87.00869	3.1
89.02451	39.4
95.01392	2.2
95.05022	1.2
98.03789	1.1
99.00899	1.8
99.04545	4.4
101.02460	27.5
102.05614	1.7
109.02937	1.2
111.04513	1.3
112.98811	1.4
113.02474	15.3
119.03519	19.8
128.03564	3.3
131.03537	1.7
135.04480	1.3
135.11868	1.1
143.03493	2.9
145.06215	1.9
149.04526	1.5
150.05270	0.9
161.04579	3.5
161.13373	15.1
162.13690	1.7
179.05644	3.4
179.10822	1.3
187.11281	2.0
193.05211	1.2
205.12347	27.1
221.19110	1.1
226.87267	1.0
249.11357	51.2
249.15071	4.8
250.11707	3.7
250.38213	0.9
265.17926	1.0
267.16013	3.1
297.17007	2.6
300.19095	1.1
301.20120	1.0
310.10864	1.1
400.64432	1.0
426.83740	1.0
429.17050	11.9
429.22168	25.4
429.26254	2.5
430.17154	1.5
430.22464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.02237	0.7
57.03447	1.5
58.00605	1.1
59.01385	100.0
61.98840	1.0
68.38486	0.6
70.84693	0.6
71.01389	44.0
71.67707	0.7
72.01740	1.1
72.99334	1.7
73.02971	2.3
73.04083	1.9
74.02489	1.5
81.07088	1.3
83.01404	2.7
85.02960	8.6
87.00899	2.3
89.02454	49.8
92.86534	0.6
93.29698	0.6
95.01409	4.0
99.04520	6.5
99.05005	0.6
101.02455	24.9
101.03109	1.3
102.02756	0.7
109.02973	0.6
111.04520	0.9
113.02468	15.9
115.05157	3.7
119.03516	23.7
121.02987	3.1
123.04539	0.8
130.08748	5.4
131.03554	2.0
133.02979	1.2
134.03680	0.7
135.04552	1.4
135.11818	0.8
137.02353	1.4
143.03528	3.0
145.06209	1.3
148.04097	1.6
149.04610	1.4
150.06921	0.8
161.04614	2.6
161.13376	17.6
162.13739	1.2
178.02745	0.7
179.03491	0.8
179.05682	6.1
187.11371	2.0
193.05106	0.9
199.18272	2.2
205.12343	40.2
206.12749	2.1
225.15047	2.9
249.11330	49.0
250.11742	3.5
256.20380	1.3
267.16135	1.3
281.06720	1.3
369.15231	1.2
383.79193	0.8
399.22485	4.1
429.17572	4.6
429.22665	5.8
430.18265	0.7
430.24307	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	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11618	0.3
71.63509	0.3
84.93887	0.5
94.58105	0.2
99.92590	7.4
100.93369	48.6
101.93381	2.2
112.58974	0.3
115.92085	100.0
116.92089	4.3
116.92871	8.3
117.92590	0.3
132.92360	1.0
142.94455	0.7
154.94426	0.5
172.95483	9.0
172.96964	0.6
173.95503	0.7
212.68448	0.3
238.51118	0.3
255.23373	0.8
283.93866	0.3
302.51880	0.3
355.15808	0.8
356.16531	0.5
359.30609	0.3
371.15466	0.3
381.17340	1.5
429.19479	6.8
430.19781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74812	0.8
57.58831	0.8
69.58915	3.8
71.01386	12.0
83.93098	0.9
84.93861	3.3
98.21937	1.8
98.95474	1.0
99.92587	28.7
100.92675	2.5
100.93366	47.9
101.93377	2.1
115.92085	100.0
116.92148	5.7
116.92867	98.5
117.92884	4.6
126.94946	2.7
132.92383	1.3
144.96005	1.4
154.94441	8.0
172.95473	60.9
173.95470	4.3
185.47398	0.7
188.86626	0.8
199.61897	1.0
255.23328	4.7
330.39056	0.9
342.58514	0.8
355.15805	2.7
371.15283	2.9
422.91553	0.9
429.19482	9.3
430.19632	2.0
451.64874	0.9
452.48944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Celerioside A
Peak:m/z	Relative Intensity
54.48355	2.5
54.57507	2.5
57.03447	4.2
59.01392	26.6
61.98835	3.2
62.15893	2.3
70.79707	5.0
71.01389	15.3
71.05032	3.0
73.02948	3.2
81.03474	3.3
85.02939	3.5
85.05816	2.6
85.34738	2.4
89.02455	10.4
97.96928	2.7
99.04527	8.7
101.02462	7.9
105.01962	3.1
109.02937	2.9
113.02457	5.8
124.17437	3.0
135.04550	8.1
141.60916	2.8
151.04079	2.6
153.09210	4.9
156.42244	2.8
159.04536	3.4
161.02480	3.8
167.10753	9.1
177.02026	2.8
178.02675	4.5
179.10808	10.0
187.80556	2.6
209.63181	2.7
224.96866	2.8
249.14931	6.3
249.18948	3.0
267.16034	100.0
268.16446	6.4
301.03534	8.4
311.55801	3.2
317.76038	3.3
429.15817	4.1
429.21033	24.4
448.99451	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	429.2135
Annotation	Dendroside F
Peak:m/z	Relative Intensity
55.01875	2.3
57.03444	2.9
58.00601	1.3
59.01387	100.0
60.01695	1.5
69.03457	1.2
71.01389	44.5
71.05030	1.3
71.41512	1.1
72.99332	2.0
73.02956	7.0
74.02474	2.2
77.12389	0.9
80.15779	0.8
83.01392	4.5
83.05006	1.1
85.02965	11.2
87.00856	1.9
89.02454	39.1
95.01400	3.1
99.00897	1.7
99.04529	3.0
101.02457	31.9
102.05621	3.3
113.02464	17.6
115.30253	1.0
117.32491	1.0
119.03522	18.1
127.00637	1.1
127.05177	1.1
128.03578	5.6
135.11848	1.8
143.03549	2.5
153.12872	2.5
161.04584	2.4
161.13309	2.3
165.51390	1.0
179.05647	2.0
179.10802	4.8
203.08385	1.9
205.12404	5.2
215.03394	1.1
221.19141	2.1
249.11336	10.0
249.15015	6.1
265.17932	1.8
267.16052	3.4
283.19235	2.3
297.17068	1.7
300.39618	1.0
301.20325	3.5
342.75696	1.2
412.23044	1.3
429.21329	64.6
429.25836	3.8
430.21667	3.5
430.24805	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	429.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64269	0.4
55.01886	0.5
57.03456	2.0
57.63849	0.4
59.01386	100.0
60.01731	1.2
61.98845	1.1
68.99848	0.4
69.03462	0.5
71.01390	19.6
71.05045	0.5
72.99317	1.0
73.02955	5.2
74.02479	0.7
75.00896	0.8
81.03461	0.5
83.01393	2.9
85.02960	9.5
86.00121	0.5
87.00881	2.4
89.02452	6.8
95.01434	2.1
97.02942	1.0
98.22682	1.1
99.00896	1.5
101.02448	11.6
105.01944	8.0
113.02465	12.1
119.03537	3.0
125.02494	0.8
128.03595	1.0
133.03009	1.5
134.03758	0.5
135.04562	3.1
137.09729	0.8
143.03523	0.7
151.11334	0.8
159.03033	0.9
161.02466	7.6
161.04565	2.6
163.11374	0.8
179.03572	1.6
179.05641	0.5
181.12401	0.8
195.13846	0.5
197.15619	0.7
207.13925	2.2
209.07294	0.8
210.07567	1.3
223.13507	0.4
225.14973	7.4
249.15085	0.6
253.08202	1.0
255.03107	1.3
265.08386	0.7
267.04877	3.6
267.16183	0.5
297.17154	1.1
321.17337	0.7
325.10324	1.0
369.09363	2.5
369.19214	32.6
370.19647	3.1
383.10281	0.4
387.20300	21.4
388.20605	3.0
398.80057	0.5
429.21225	5.3
429.25876	1.2
430.21399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
58.86177	0.4
58.89783	0.4
59.01384	100.0
60.01734	0.6
61.44388	0.4
71.01388	14.2
73.02965	1.0
75.91381	0.5
83.01402	0.9
84.04576	1.7
85.02943	3.1
87.00891	0.9
89.02454	16.6
93.03468	0.9
95.01404	0.9
101.02455	7.0
101.03030	0.7
104.44913	0.5
109.04105	0.8
113.02464	6.5
119.03517	7.3
121.02962	2.8
121.06635	0.6
127.05157	2.9
127.11327	0.6
128.03517	1.1
131.03537	1.1
135.20772	0.5
136.01703	0.6
137.02475	1.9
137.09715	2.2
143.03514	1.2
145.06197	5.7
148.04109	1.6
149.04601	0.8
151.04121	0.7
161.04602	2.1
179.05632	3.3
179.10738	0.7
221.19144	2.8
249.11674	0.9
249.14754	0.4
265.18149	1.9
267.16119	2.0
281.06674	2.8
283.19302	2.1
285.04169	0.6
356.08197	0.9
359.29395	0.5
385.26929	0.6
411.25272	1.2
429.21149	2.2
429.26096	14.0
430.26395	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
69.23904	6.1
71.01390	20.1
73.02939	1.2
73.04071	2.7
73.56330	1.1
75.51804	1.0
83.01427	1.5
85.02956	4.5
87.00891	1.5
88.37131	1.1
89.02456	26.0
95.01408	1.4
99.04525	2.3
101.02451	10.2
109.02973	1.3
113.02481	8.8
115.05145	5.2
119.03519	8.6
121.02969	3.4
127.05122	2.0
130.08765	9.5
133.02943	1.5
135.04564	2.4
137.09732	1.6
139.32091	1.1
143.03572	2.1
145.06328	1.5
148.04010	1.7
161.02455	3.7
161.04597	3.0
161.13382	3.7
162.02838	1.6
163.02975	1.6
167.10799	1.4
179.03432	1.3
179.05598	4.1
199.18228	3.5
205.12354	5.9
211.09782	2.7
225.19958	1.2
243.17276	1.5
249.11356	8.6
256.20355	3.5
267.15887	1.3
268.12714	1.2
281.06802	2.2
345.24622	1.1
360.01355	1.3
399.22437	7.3
400.22665	1.9
411.22620	1.9
429.16467	6.4
429.23111	11.0
430.23392	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
58.56099	0.4
59.01387	100.0
60.01720	1.3
61.06717	0.4
67.99780	0.4
69.03462	0.5
69.40467	1.3
71.01386	8.1
72.99320	0.7
73.02955	6.3
77.80744	0.4
83.01424	0.8
85.02964	2.8
87.00906	1.6
87.04489	0.5
89.02457	7.2
89.02959	0.6
95.01416	0.8
97.02978	0.5
99.00874	0.6
99.04556	0.5
101.02460	8.5
103.04020	2.9
107.05109	0.4
109.02988	1.4
109.06599	0.5
113.02454	3.7
115.04034	1.6
115.08801	0.8
116.07246	0.5
119.03518	2.9
125.02485	0.8
127.04028	0.7
127.07711	0.5
130.08789	1.6
131.03543	1.4
133.03009	0.9
134.03818	1.1
135.04546	30.6
136.04930	0.9
137.02490	0.5
138.06902	1.6
143.03497	2.0
143.11975	0.9
145.02972	0.7
145.05148	0.5
149.00934	0.4
153.09235	3.9
161.02512	0.9
161.04578	1.8
163.06139	4.8
163.11320	0.6
171.06787	0.5
177.02049	0.5
179.03545	1.9
191.05746	0.5
205.07207	3.1
207.14053	0.5
211.74055	0.4
225.14995	7.9
225.16995	0.5
233.06755	0.5
256.20367	0.4
281.04733	0.4
297.17255	0.5
298.16696	0.6
301.76227	0.4
341.06882	1.3
342.07034	0.4
363.52127	0.4
369.19131	3.1
387.20410	1.1
394.19815	0.4
399.26306	1.6
429.08487	0.9
429.13843	0.8
429.21652	1.3
429.27316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.3
58.02973	0.7
58.82366	0.4
59.01389	2.6
61.77600	0.5
61.98842	3.8
67.03014	0.5
71.01389	0.5
71.05030	0.4
71.44953	0.5
74.02472	1.3
82.02995	1.0
83.05079	0.6
84.04554	7.8
85.02956	1.1
89.02459	0.5
94.03366	0.5
95.28513	0.4
97.06598	0.7
98.02475	0.9
101.02436	0.6
101.07206	1.6
108.02201	0.6
109.02976	0.8
109.04086	7.0
113.09708	0.7
114.09239	0.8
125.03531	1.5
127.05154	21.9
128.03557	9.6
139.11386	0.6
145.06216	34.2
153.01888	0.8
221.19138	24.3
222.19432	1.7
239.20044	1.1
265.18115	12.8
266.18417	1.4
282.20847	0.5
283.19171	15.3
284.19531	1.1
285.03946	0.5
301.20398	0.6
324.25528	0.6
367.26154	1.1
385.27072	2.0
411.25058	8.3
412.24988	1.0
429.26080	100.0
430.26398	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	429.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23914	0.5
57.03444	1.6
58.02971	0.6
59.01385	6.0
61.98836	2.6
67.03024	0.6
69.00408	0.4
69.21224	2.0
69.21642	1.0
71.01393	1.6
74.02477	2.8
82.02972	0.7
83.05062	0.8
84.04549	9.1
85.02988	0.6
87.00883	0.8
89.02456	0.5
98.21962	1.0
101.02426	0.7
101.07204	2.1
103.17582	0.5
109.04081	5.8
111.08191	0.8
114.17319	0.4
116.65271	0.4
125.03585	1.1
125.09728	0.5
127.05144	22.5
127.11272	1.1
128.03549	10.6
128.05542	0.9
135.04483	0.7
141.12885	0.7
145.06207	38.4
192.71526	0.5
221.19113	22.2
222.19479	1.5
237.18585	1.1
239.20219	4.0
255.03128	0.6
265.18091	14.8
266.18570	1.0
282.20502	0.7
283.19177	16.1
284.19446	1.3
284.22351	1.4
300.21869	1.1
301.20288	1.5
349.25253	0.6
367.25943	1.6
385.27216	2.9
411.25043	7.8
412.24658	0.9
429.26068	100.0
430.26431	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	429.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67205	1.0
57.03445	2.5
59.01370	4.5
60.19098	1.0
65.16893	0.9
69.85879	2.6
71.01384	2.4
74.02470	1.8
84.04553	7.7
85.02953	1.8
101.02411	1.3
101.07236	1.6
109.04076	6.2
113.09747	1.4
127.05150	21.5
127.11317	1.5
128.03558	10.2
129.25859	1.0
135.35912	1.1
137.45924	1.2
145.06204	32.2
146.06548	1.5
150.93889	1.0
201.89708	1.1
221.19121	17.7
222.05623	1.2
237.18593	1.0
239.20222	3.7
255.03104	1.0
265.18134	12.0
266.18442	2.2
283.19220	15.1
284.19678	1.3
301.19925	1.3
320.52600	1.2
385.27133	2.9
411.25027	7.7
429.21497	3.9
429.26080	100.0
430.26440	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	429.286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28426	1.4
59.01383	100.0
61.98852	2.5
69.08250	9.5
70.51460	1.3
78.95900	5.8
79.58707	1.4
84.76068	1.3
84.82204	1.2
96.95992	3.0
98.22719	2.7
139.61821	1.3
152.99615	9.0
165.28256	1.3
219.20992	1.3
276.18207	1.4
277.21832	2.1
295.22662	4.9
357.07202	1.5
368.88641	1.4
413.57999	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
65.50813	3.6
69.13304	10.8
69.13719	9.2
74.33424	3.2
76.86036	3.6
98.22709	6.6
114.89594	3.4
149.82378	3.8
188.69260	3.3
191.57021	3.0
295.22855	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	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62260	2.2
59.01386	100.0
60.01730	1.9
75.25240	1.7
84.94350	2.1
98.21871	7.7
429.30026	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	429.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.79847	1.2
70.48003	1.7
77.77015	1.0
92.82501	1.3
100.41695	1.1
152.99585	2.0
168.13387	1.0
277.21555	2.2
295.22815	8.2
306.53391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90542	0.5
59.01389	2.6
61.98845	2.2
62.21999	0.4
69.03463	0.9
71.01388	1.6
71.05027	20.4
72.00919	3.2
83.05035	1.8
85.02975	0.6
87.00893	0.6
89.02462	1.1
93.03464	0.7
97.02964	5.4
99.04546	0.7
101.02442	0.7
111.00895	0.5
111.04546	1.4
113.02460	1.5
115.04027	100.0
116.04359	2.5
117.05601	6.1
120.99664	1.3
137.02428	0.7
147.04546	7.5
161.04613	0.6
164.07188	24.1
165.07481	0.7
169.48190	0.4
179.05673	0.5
211.83060	0.4
213.00838	3.1
213.36255	0.4
273.02890	0.6
317.08746	1.3
370.99771	1.5
430.08987	0.8
431.11789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.8
59.01381	82.0
61.98820	10.1
69.57039	6.4
70.88093	4.1
71.01384	44.5
73.02934	9.5
85.02951	12.0
87.00899	5.2
88.98837	4.1
89.02437	40.9
93.03438	20.1
94.32219	3.8
95.01371	5.0
101.02443	30.3
108.02171	30.2
109.02438	9.4
113.02470	20.4
119.03529	24.2
123.04523	6.5
124.01685	8.5
125.02444	58.8
137.02444	49.0
143.03477	6.1
149.02420	6.0
149.99530	9.4
151.04019	12.6
152.01216	24.0
152.08432	5.1
153.01608	13.9
161.02467	12.5
161.04594	11.9
162.02699	4.9
165.05486	4.0
167.03519	8.1
168.00679	21.2
177.60674	3.5
179.03452	5.4
179.05634	9.0
201.99423	4.1
225.14853	3.9
261.38138	4.0
269.04269	4.5
285.06259	5.8
286.06598	17.8
287.06683	3.8
328.07645	18.6
368.10519	4.6
387.15497	6.3
387.20261	100.0
388.20825	7.8
425.40869	3.8
431.11884	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09452	2.6
52.37691	2.8
53.50449	2.8
61.98835	100.0
69.31560	6.9
69.31974	10.1
73.72414	2.5
82.59843	2.7
87.83024	2.7
93.64494	2.7
102.58247	3.0
104.84452	3.1
135.89540	3.1
152.99628	3.2
182.25273	3.0
182.28239	2.7
279.23285	9.1
294.25189	3.3
295.81665	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	430.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01398	2.9
59.87119	0.6
61.98824	1.8
63.99917	0.6
69.14984	1.2
69.15388	2.7
74.02474	2.4
75.95313	0.6
84.04555	4.1
100.04028	0.9
101.02463	1.0
102.05625	39.0
113.09769	0.9
128.03561	66.0
129.03920	0.9
146.04602	9.2
221.19138	23.2
222.19360	1.7
239.20235	2.3
248.96869	0.6
257.21344	0.8
265.18106	15.5
266.18359	1.3
283.19174	16.1
284.19656	1.2
299.18719	0.9
301.20236	38.9
302.20593	2.6
324.25363	1.4
386.25470	3.9
387.25830	1.0
412.23438	6.5
413.23639	0.8
418.34903	0.6
430.24493	100.0
431.24814	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	430.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
57.43365	0.5
59.01390	3.0
61.98823	1.5
69.89326	2.1
70.94038	0.6
71.01389	1.6
73.02962	1.1
74.02467	2.0
82.03015	0.6
83.05057	0.9
84.04559	4.5
85.02917	0.6
89.02469	0.7
89.21478	0.7
100.04060	0.9
101.02443	1.1
102.05618	41.9
103.05988	0.6
111.08119	0.7
113.09794	0.6
125.09703	1.0
127.11314	1.1
128.03551	69.1
129.03874	1.4
133.02968	1.0
141.12904	0.7
146.04605	9.2
170.15474	0.7
179.87238	0.7
221.19116	21.7
222.19498	1.1
237.18608	1.3
239.20183	4.3
265.18112	15.5
266.18246	1.0
282.20865	0.8
283.19171	18.6
284.19562	2.0
299.18600	2.1
299.21869	0.5
300.21677	0.8
301.20230	41.6
302.20590	2.5
309.76910	0.7
324.25281	1.1
342.26709	1.2
386.25488	5.1
412.23383	6.4
413.23450	0.9
430.24484	100.0
431.24753	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	431.0987
Annotation	Kaempferol-7-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
59.01377	4.4
61.98842	1.3
63.02397	8.1
65.00323	5.2
71.01383	2.7
71.41395	1.5
83.01386	8.1
87.00880	1.0
87.63225	0.8
93.03466	1.1
95.01418	2.2
99.08132	1.1
107.01391	17.1
120.02168	1.5
123.00844	1.2
123.04475	1.3
132.02174	1.5
151.00372	44.6
152.00638	1.0
161.02586	1.4
163.00372	2.4
164.01152	4.3
169.01425	7.7
171.04489	1.7
185.06088	4.2
199.46046	1.0
201.90837	1.0
213.05611	4.9
227.03532	1.8
229.05072	4.2
239.03537	1.7
240.04308	2.3
241.05080	1.9
257.04556	21.1
258.04819	1.9
268.03772	31.0
268.06509	2.0
269.04449	10.0
283.02496	1.3
284.03271	32.3
285.04031	45.5
286.04446	4.5
431.09857	100.0
431.21750	5.0
432.10202	10.5
446.83881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20880	0.3
59.01379	1.1
63.02384	0.7
64.35680	0.2
65.00340	0.5
69.13713	0.9
69.14117	0.8
78.79094	0.3
82.00069	0.2
83.01390	1.0
89.02489	0.3
91.46101	0.2
92.02680	0.5
93.03471	1.7
98.21886	0.5
107.01398	2.4
117.03461	1.7
132.04559	0.3
137.02451	3.7
148.01666	0.5
149.02473	1.7
149.99576	0.7
151.00407	3.4
158.03708	0.4
171.04533	1.1
172.05286	0.9
183.04639	0.4
184.05296	0.6
195.04501	0.4
196.05287	0.9
200.04805	1.0
201.05623	0.4
211.03987	2.2
212.04781	1.1
225.05569	0.4
227.03479	0.6
239.03535	3.5
240.04285	4.6
267.02994	2.5
268.03790	100.0
269.04477	30.6
270.04901	1.9
276.12180	0.3
281.04553	0.5
283.06085	0.5
284.14828	0.3
311.05536	0.9
431.09860	79.7
432.10162	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	431.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.4
59.01385	22.8
61.98823	0.3
63.02397	0.7
65.00327	0.6
69.47568	0.8
69.47964	0.6
71.01387	3.8
72.99293	0.3
73.02964	0.8
83.01390	0.9
85.02948	1.5
87.00859	0.6
89.02454	2.2
92.02699	0.4
93.03468	4.1
95.01404	0.4
97.06668	0.3
101.02456	2.1
107.01386	1.4
108.02184	0.5
109.03004	1.6
109.03630	0.3
113.02456	1.3
119.03486	1.1
125.02418	0.5
131.03546	0.4
132.02164	0.9
135.00850	1.8
137.02457	5.9
143.05026	1.0
151.00359	1.4
153.01987	0.5
157.06602	0.9
158.03665	0.4
159.04523	1.4
160.04048	1.0
161.04556	1.3
163.00415	2.4
164.01097	0.5
165.01933	0.4
169.06551	0.9
171.04539	0.6
173.06067	0.4
179.05600	0.5
183.04518	1.7
185.02461	0.7
185.06058	1.9
187.03998	2.1
189.05573	0.9
195.04532	0.8
197.06230	0.9
199.04073	0.8
201.05568	0.7
211.04012	2.6
212.04594	0.4
213.05600	1.9
215.03450	0.4
223.03957	0.3
227.03514	47.4
228.03879	3.5
229.05061	10.3
230.05385	0.7
239.03513	1.6
240.04250	0.7
241.05118	1.8
243.02945	0.6
244.62042	0.4
255.02998	70.6
256.03586	9.9
257.04556	6.0
267.02942	0.6
268.03717	0.6
269.08194	0.4
269.13818	0.6
269.17526	0.4
283.02649	0.6
284.03287	65.0
285.04044	100.0
286.04379	7.4
299.18655	2.2
327.04950	0.5
371.20657	1.3
431.09836	53.1
431.46487	0.4
432.10150	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	431.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50601	0.4
59.01389	4.3
59.92746	0.4
63.02399	1.5
65.00335	1.2
65.97546	0.4
69.17105	2.5
69.75385	0.4
74.58326	0.4
83.01390	1.7
85.02943	0.6
87.00883	0.5
89.02454	0.9
101.02474	1.1
107.01407	3.3
109.02962	0.4
113.02503	0.4
120.79296	0.4
121.02985	0.6
132.02126	0.5
133.02939	3.7
134.03723	1.9
148.01714	0.6
149.02429	1.1
149.99638	0.5
151.00391	5.8
151.04024	0.7
161.00500	0.4
163.00372	0.8
171.04532	0.6
171.14709	0.5
175.04018	1.2
183.04428	0.6
184.05235	0.4
185.08067	0.4
187.03999	0.6
190.99921	0.8
195.04518	0.7
197.06161	0.8
199.04008	1.6
200.04744	0.9
201.01831	0.6
211.04013	2.0
213.05342	0.6
214.02527	0.6
217.05092	0.9
227.03511	3.0
228.04132	0.5
229.04999	0.5
239.03511	1.2
241.05116	0.9
243.02992	0.7
246.27174	0.4
255.03026	4.4
256.03812	6.7
257.04471	0.9
268.03802	2.8
269.04361	0.7
283.02475	1.6
284.03281	97.6
285.04037	94.5
286.04422	6.2
299.18570	1.6
314.43112	0.5
419.66028	0.4
431.09836	100.0
431.26529	1.5
432.10156	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	431.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56562	0.7
51.21206	0.7
52.34092	0.8
59.01381	1.4
61.98836	100.0
70.18468	1.9
88.44626	0.7
88.65647	0.9
91.40897	0.7
94.44563	0.8
98.21962	1.0
162.83946	1.4
237.05025	0.9
254.33035	0.9
266.96906	0.8
268.03809	10.9
269.04535	3.2
279.92215	1.0
338.10312	0.9
368.11304	0.9
431.10007	7.8
432.10806	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	431.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07810	0.7
55.34231	0.8
57.03453	1.1
59.01384	17.5
60.49899	0.7
61.98831	0.8
69.03455	1.1
69.54068	3.4
71.01072	0.8
71.01385	8.6
73.02959	1.7
73.35922	0.7
74.02451	1.2
75.50485	0.8
83.01378	1.4
83.05032	1.1
85.02951	3.1
87.00848	2.1
89.02445	7.9
93.03465	47.4
93.38965	0.8
94.03783	1.7
95.01422	0.8
95.19460	0.7
97.02954	1.2
98.02464	1.2
98.21898	1.4
99.00941	0.9
101.02467	5.4
107.05018	1.9
108.02176	0.8
109.02969	0.8
111.61194	0.9
113.02428	2.8
119.03473	2.5
121.02967	2.6
123.00873	3.6
124.01673	8.5
125.02457	22.6
130.08722	1.4
133.02957	1.3
134.03751	0.9
135.04527	5.0
136.04855	1.7
137.02454	100.0
138.02769	3.2
140.64027	0.8
149.02489	0.8
149.04625	0.9
149.99605	10.7
151.00414	1.1
151.03970	3.4
158.58376	0.8
161.02438	2.7
161.04489	1.7
162.02798	1.1
163.02899	1.4
168.00656	25.4
169.01306	2.5
179.03473	8.5
179.05066	1.3
179.05551	1.3
191.03825	0.8
191.05553	1.4
195.10141	0.9
209.11928	0.9
227.03479	4.5
251.12994	1.2
255.03001	5.1
256.03751	1.0
265.65634	0.8
267.06485	1.2
269.06775	0.8
275.52997	0.8
284.03375	4.0
285.03940	2.5
299.14819	1.0
313.05579	0.8
387.22504	1.5
431.11761	38.0
431.19595	1.3
432.12357	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	431.1329
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
54.88120	3.2
57.03444	18.1
59.01387	100.0
61.98805	4.5
69.72794	13.6
71.01385	57.2
73.02941	10.8
77.76511	3.7
83.01393	8.3
85.02965	16.5
87.00937	3.9
89.02451	74.7
90.02800	3.7
99.00908	3.9
99.04529	11.5
101.02455	48.2
101.06101	10.6
111.00934	5.8
113.02451	15.5
119.03544	9.2
119.05075	8.0
121.02986	5.2
125.02493	23.4
131.03510	25.5
137.02499	5.8
137.06029	3.6
143.03548	5.1
145.00688	3.5
149.04553	35.7
153.05672	4.6
161.04500	5.7
165.74928	3.8
178.06670	4.6
189.28835	3.6
191.05589	9.9
202.62286	3.8
233.06616	8.8
272.11420	3.9
293.08887	9.9
299.11478	6.5
329.06375	26.7
431.13483	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98823	1.5
68.03487	1.3
70.94602	1.2
71.01387	9.8
72.99357	2.2
73.02959	2.7
83.01348	1.4
85.02991	2.2
87.00878	11.6
89.02451	13.8
91.29771	1.2
93.03445	2.1
99.00893	2.1
101.02444	6.7
113.02452	5.9
119.03538	2.4
121.02976	2.2
123.03221	1.9
123.04525	8.1
125.76654	1.4
133.01450	2.6
133.05057	3.9
135.04524	2.6
137.02425	6.9
138.05611	22.8
149.04558	3.1
151.04013	1.4
153.05585	11.9
159.04439	1.3
161.02454	3.2
161.04579	1.7
176.04715	1.8
176.51407	1.1
179.03513	5.4
181.08760	2.9
191.05701	2.9
191.07266	1.8
194.05809	5.7
195.06622	3.9
209.08211	17.7
269.10431	1.5
281.06641	2.1
295.50952	1.3
315.11047	1.5
335.61615	1.3
431.15881	17.5
432.15189	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	431.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12783	1.1
58.86986	1.4
59.01384	100.0
60.01723	1.8
61.98816	1.6
63.80784	1.2
65.80509	1.2
66.58896	1.1
69.50145	2.8
69.50538	1.8
71.01387	10.4
72.99300	1.8
73.02945	2.3
73.04042	1.2
83.01421	1.6
85.02962	2.4
87.00876	13.3
88.86425	1.1
89.02456	11.0
93.03448	1.2
94.31185	1.2
101.02452	8.1
105.01924	1.4
113.02478	4.7
115.00465	1.7
116.66743	1.3
119.03525	3.6
119.05024	2.0
121.02953	2.1
123.03271	1.9
123.04520	3.8
129.10378	1.3
135.04500	3.2
137.02464	5.0
138.05626	23.8
149.04596	2.2
151.04034	1.7
153.05559	5.6
153.64568	1.1
158.06851	1.2
161.02469	5.1
161.04602	2.2
161.05966	1.2
166.06427	2.4
175.91678	1.3
176.04701	3.3
179.03519	5.7
181.08673	4.1
191.05573	1.8
194.05782	7.7
195.06702	4.7
209.08203	15.9
210.08739	1.6
251.09457	1.5
263.10733	1.6
343.13962	1.9
431.10007	1.5
431.15631	19.8
432.15555	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.01865	1.2
56.94227	0.8
57.03453	1.3
58.00604	1.2
59.01387	100.0
68.09175	0.9
69.03492	2.0
69.14719	1.4
69.15121	4.2
71.01392	59.4
72.01740	1.2
72.99292	1.7
73.02956	14.8
74.68296	0.8
75.00894	1.3
80.79455	0.9
81.03474	1.0
83.01382	4.4
85.02960	10.3
85.77889	0.9
86.00114	1.0
87.00890	10.3
89.02457	80.2
89.89235	0.9
93.03478	9.3
93.45806	0.9
95.01439	1.1
97.02967	2.9
99.00868	2.1
101.02452	38.3
103.81561	0.9
107.05052	3.7
109.96410	1.0
113.02469	11.1
119.03532	6.8
119.05043	9.0
121.02961	2.5
123.03290	4.6
123.04532	3.9
125.02457	5.4
131.03520	41.3
132.04625	1.9
135.04588	5.7
136.05321	5.4
137.02464	14.4
137.06084	2.7
138.05627	50.2
149.04573	53.9
150.04877	1.0
151.04053	2.2
151.07639	2.7
161.04601	2.4
179.03537	1.1
191.05653	22.5
195.06657	24.4
196.07091	1.0
224.91754	1.0
233.06725	3.3
269.76263	0.9
280.06046	1.5
281.06555	1.8
293.08786	3.4
306.10052	1.0
323.09821	1.4
431.15585	52.4
432.15549	11.6
452.70825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
50.29425	1.1
57.03445	2.7
57.28567	1.1
59.01384	99.6
59.99747	1.1
61.98825	5.5
71.01389	59.0
72.99313	2.3
73.02950	13.3
83.01396	1.6
85.02959	11.8
86.00092	1.7
87.00876	11.8
89.02454	81.8
93.03484	2.1
95.01396	1.6
97.02997	1.8
98.22674	3.6
99.00938	1.3
101.02451	42.2
102.02834	1.4
109.02951	1.1
111.00904	2.4
112.02754	1.1
113.02467	12.3
113.87408	1.1
119.03545	7.5
119.05032	23.1
120.99654	4.0
121.02999	2.0
121.07289	1.2
123.04535	4.8
125.02458	3.6
131.02528	2.7
131.03511	43.5
131.04469	2.3
137.06091	3.3
143.03479	1.9
149.04559	41.7
150.04900	1.3
161.02448	1.2
161.04607	1.5
179.05598	1.8
191.05608	25.9
192.05910	1.4
299.11319	9.3
431.15625	100.0
432.15851	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	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	58.4
68.86026	0.9
69.11597	6.1
71.01387	13.5
73.02949	2.7
80.01331	0.9
83.01385	1.1
85.02959	4.0
87.00890	1.2
89.02452	10.9
93.03462	10.4
101.02444	6.6
107.05136	1.0
108.02184	3.8
113.02454	4.3
119.03506	1.7
119.05025	6.1
121.02986	2.6
123.04532	5.6
124.01658	1.5
125.02467	2.0
131.03542	3.2
132.04550	2.6
132.83727	1.0
134.03746	1.7
135.04539	17.9
136.05327	19.1
137.02464	17.2
138.05624	11.0
141.07040	1.0
148.03909	1.0
149.04549	4.9
151.04050	7.2
151.07649	7.8
161.04596	1.4
191.05597	2.2
195.06639	84.0
196.06952	4.5
269.10321	4.9
281.36804	0.9
284.69769	1.0
293.08807	1.1
309.34082	1.0
431.15628	100.0
432.15939	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	431.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50133	0.7
58.02985	3.7
59.01387	10.3
61.98841	7.6
69.19425	4.0
71.01395	3.9
73.02917	1.0
73.04064	1.5
73.81368	0.7
80.22388	0.7
84.04525	1.2
85.02940	1.4
87.05653	22.7
89.02442	2.7
100.04082	1.5
101.02465	2.2
101.07200	1.4
110.02505	2.6
113.02448	1.4
117.65288	0.7
119.03574	1.2
126.06745	1.9
127.05135	2.1
129.06728	26.9
139.08765	0.9
141.10371	1.2
143.08281	1.0
143.11906	1.0
144.07811	5.3
148.04393	20.4
155.08226	0.8
155.11890	1.3
168.07803	2.1
168.11459	1.0
169.09802	2.4
169.13513	4.2
175.09093	0.9
186.04657	3.4
186.08835	3.1
187.07265	1.1
195.11444	1.1
206.04607	1.9
213.12410	3.0
217.13802	5.8
226.15672	2.5
226.86545	0.7
227.03554	5.3
232.11348	1.2
243.11685	2.0
255.03026	6.2
261.12753	4.6
274.12903	1.3
274.15939	7.3
281.06644	1.2
284.03323	5.1
285.03998	1.8
299.18637	2.1
345.19666	4.7
387.20709	2.4
431.09885	7.0
431.19678	100.0
432.10736	1.4
432.20004	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	431.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62740	0.2
57.87299	0.3
62.64239	0.3
70.49499	0.5
73.67733	0.2
78.95911	79.6
96.96968	6.6
112.69411	0.2
150.98071	2.1
152.99608	100.0
153.99962	1.7
171.00644	2.5
277.21808	0.9
278.22238	0.3
424.24051	0.3
431.22058	8.2
432.22583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2207
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.00759	0.2
54.26489	0.2
62.96431	0.3
66.22591	0.2
70.66376	0.5
78.95911	53.0
88.97529	0.2
96.96969	6.6
97.08191	0.3
150.98044	1.5
151.07245	0.2
152.99603	100.0
153.99966	1.3
171.00647	3.7
277.21854	0.5
431.22055	4.6
432.22568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09733	0.2
56.63574	0.2
56.92698	0.3
59.01384	4.8
61.98824	0.5
62.96439	0.2
65.13789	0.3
74.96024	0.3
78.95912	57.5
89.09840	0.3
96.96043	1.7
96.96978	7.3
150.98083	1.8
152.99609	100.0
154.00020	1.4
156.33110	0.3
163.90686	0.3
171.00690	4.4
234.38028	0.2
246.43185	0.3
255.53679	0.3
268.03809	0.5
272.17484	0.3
277.21762	0.9
297.24313	0.3
358.91449	0.3
371.15048	0.5
396.17068	0.4
431.22043	4.2
432.22351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
57.03448	1.1
59.01385	100.0
60.01725	1.0
69.23032	2.8
69.79125	0.5
71.01389	13.2
73.02951	5.1
83.01418	1.9
85.02958	6.3
89.02449	4.8
95.01401	1.6
95.33942	0.5
96.96032	0.7
98.22606	1.2
99.00909	1.8
101.02462	12.0
107.01414	0.5
113.02460	6.1
119.03532	1.9
121.02972	0.5
143.03525	0.6
149.02550	0.5
151.00414	0.8
151.55070	0.4
152.39133	0.5
159.03073	1.4
161.04568	7.7
175.49367	0.6
209.15572	1.4
210.44452	0.5
239.03493	1.2
240.04311	1.3
245.16565	0.5
267.03021	0.6
268.03793	33.9
269.04517	9.6
269.17496	0.8
274.16959	0.5
281.08224	0.8
299.18591	0.9
311.05508	0.6
371.20764	18.3
371.25363	1.0
372.21140	2.1
383.02032	0.9
416.05743	2.5
431.09921	26.4
431.22806	14.4
431.28320	0.9
432.10120	3.0
432.23474	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	431.2289
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
51.04518	0.5
55.01887	2.7
57.03444	2.3
59.01386	37.2
69.09414	3.3
71.01387	31.3
71.01796	0.8
72.01722	0.8
72.99305	1.2
73.02953	10.5
73.57930	0.5
83.01391	6.9
85.02959	16.3
87.00872	1.7
87.04507	4.2
89.02453	13.5
95.01396	3.2
97.02983	0.9
98.21886	1.1
99.00901	3.5
101.02454	26.2
101.06144	0.6
107.01392	0.9
111.00864	0.7
113.02460	12.8
117.03455	0.9
119.03494	4.8
120.99752	0.6
125.02399	0.7
129.01923	0.7
143.03543	0.6
149.02400	0.6
151.00432	1.0
159.02998	1.6
161.04588	5.0
179.05627	0.7
187.11353	0.9
187.47224	0.5
229.45503	0.6
231.10216	1.9
239.03482	0.6
240.04225	0.6
251.16649	1.6
267.03214	0.8
268.03769	22.6
269.04501	7.8
269.17633	1.1
289.00153	0.8
293.23822	0.5
370.10226	0.6
387.23758	0.8
390.09735	1.0
408.11331	0.7
431.10010	18.9
431.22852	100.0
432.10251	2.1
432.23233	11.2
432.28806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34796	0.4
55.01897	0.5
57.03443	1.2
59.01384	100.0
60.01731	1.0
61.98860	0.6
69.53187	1.8
71.01387	9.8
72.99329	0.6
73.02956	3.3
73.52419	0.5
82.95444	0.5
83.01406	1.4
85.02938	2.5
85.64744	0.5
87.00893	1.1
89.01902	0.4
89.02451	10.9
95.01422	0.7
101.02454	6.8
113.02469	4.3
119.03513	5.5
125.02447	2.5
131.03535	0.9
133.02977	0.6
135.04468	0.5
137.02464	0.8
140.04703	0.5
143.03539	0.7
149.00978	0.6
149.02457	0.6
150.03230	1.0
150.96558	0.5
156.65630	0.4
161.02464	0.5
161.04561	1.3
165.05582	1.0
165.12883	0.7
167.03543	1.4
175.03960	0.5
175.70299	0.4
179.05684	1.3
235.06238	0.5
263.05603	0.6
268.03812	2.2
269.04544	1.9
269.07971	0.6
299.09390	0.7
299.18515	0.6
336.55173	0.5
339.12540	0.5
346.59494	0.5
389.18149	1.1
413.16428	0.6
431.09976	1.7
431.18555	6.4
432.19437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.3
59.01383	93.6
61.98832	3.5
69.03444	2.2
71.01388	44.4
71.05034	1.5
71.41648	1.8
72.99311	1.6
73.02934	3.8
77.41357	1.3
83.01365	2.2
83.31806	1.3
84.83156	1.3
85.02963	7.9
85.06621	1.5
87.00860	3.4
87.04507	2.6
89.02450	51.0
90.02776	1.7
95.01366	4.2
99.04527	6.1
101.02452	30.0
107.01419	2.9
113.02455	19.3
117.03485	3.1
119.03510	23.6
121.02942	2.3
123.04548	1.6
124.01676	1.9
125.02385	1.7
131.03506	2.3
133.02936	2.6
135.04462	1.4
138.03206	1.4
142.59590	1.6
143.03494	4.6
145.02972	2.8
145.05202	1.6
149.02409	1.7
151.00394	5.6
160.01675	4.2
161.02455	46.1
161.04581	4.0
162.03105	2.8
163.03990	1.8
173.02428	4.9
174.03125	1.6
175.04025	11.9
176.04794	39.5
177.05260	3.8
179.05667	6.6
180.02849	1.3
188.04723	2.2
189.05568	2.3
190.02763	1.9
190.06337	7.6
191.03531	8.3
191.07121	8.5
197.89622	1.5
205.05132	10.3
206.05821	8.9
206.99271	2.3
207.17624	2.2
211.03999	1.8
212.04808	2.3
220.07497	2.4
221.08217	12.4
225.05611	3.3
239.03526	2.8
240.04271	4.8
241.05229	1.8
251.16528	47.0
251.19196	2.3
252.16884	3.8
253.05103	4.6
263.03415	1.6
268.03778	100.0
269.04526	54.4
269.07489	2.8
269.17535	9.1
270.04868	4.0
281.04550	1.9
283.06305	1.5
283.09503	1.7
293.04510	2.0
296.06680	2.1
297.04001	3.9
309.04138	3.2
311.05545	3.8
311.09198	2.6
312.06476	4.0
324.06277	3.9
326.07819	3.3
327.08725	6.2
339.08716	16.9
340.08862	1.7
342.11014	6.0
354.11115	13.0
357.09100	3.2
357.13464	55.3
358.13803	6.5
369.13608	2.3
373.37933	1.5
387.14536	3.0
413.12692	6.4
431.09824	73.3
431.22629	34.3
432.10458	7.3
432.23151	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
55.08884	1.2
57.46497	1.1
59.01384	100.0
59.88177	1.1
61.98850	1.2
69.21839	3.3
69.22247	3.3
70.43102	1.2
71.01395	18.4
73.02963	6.6
74.02509	1.0
83.01398	2.3
85.02937	7.2
87.00881	2.1
89.02436	6.3
99.00891	1.2
101.02448	14.7
113.02471	7.3
119.03496	3.7
125.09621	1.3
126.73975	1.1
150.79988	1.1
161.04526	7.9
182.71722	1.1
209.15466	1.4
211.68491	1.1
255.02953	1.5
268.03641	1.5
281.51566	1.5
299.18600	6.3
319.43265	1.3
340.90982	1.3
371.20721	16.1
372.21017	1.9
431.09891	3.6
431.22964	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.244
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
51.94440	0.3
64.52012	0.3
71.43922	0.3
111.50014	0.3
117.03484	17.5
118.04240	1.3
119.05041	25.2
120.05354	0.8
121.02957	0.9
123.04549	0.3
139.28194	0.3
145.02966	100.0
146.03305	5.3
152.99704	0.3
163.04025	18.2
164.04431	0.8
171.78287	0.3
176.00327	0.3
221.46294	0.3
267.19745	1.8
285.20752	8.1
286.21042	0.6
413.23383	0.8
431.24423	24.8
432.24738	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	431.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
64.22315	0.3
71.33612	0.4
72.00077	0.3
77.44466	0.2
78.95912	0.6
79.87337	0.3
86.67177	0.3
89.46445	0.3
95.43291	0.3
103.13569	0.3
103.28312	0.3
111.00935	0.3
117.03477	17.5
118.04257	1.2
119.05034	27.9
120.05392	0.6
121.02981	1.0
136.39728	0.3
145.02962	100.0
146.03297	3.9
146.04347	0.3
147.51080	0.3
152.99632	0.8
163.04019	20.6
164.04375	0.9
191.94562	0.3
252.66768	0.3
267.19623	1.6
285.20743	8.0
286.21085	0.6
413.23447	0.6
431.24399	27.0
432.24704	2.9
449.33795	0.2
457.53384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61450	1.5
59.01390	33.1
61.98841	3.4
68.39545	1.9
69.75021	3.4
69.75378	4.2
77.41379	1.7
78.95905	30.4
87.00883	3.6
96.96966	4.2
98.22566	3.6
124.15269	1.8
128.38739	1.4
141.07506	2.6
152.99605	59.2
226.78714	2.0
267.21597	2.7
268.03842	2.5
277.21738	50.9
278.22055	4.8
281.18127	2.1
297.24332	2.0
311.20547	51.1
312.20966	5.4
365.34479	2.1
431.09824	3.5
431.24823	100.0
432.25165	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	432.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69889	3.1
59.01384	100.0
62.64982	2.6
69.03442	17.8
69.33370	3.2
69.33668	16.4
69.84313	2.9
71.01389	61.7
73.02953	3.0
78.36736	3.0
85.02949	5.5
88.24532	3.1
89.02452	90.0
101.02438	33.3
113.02464	61.8
115.04040	3.6
115.11594	2.7
118.96609	15.4
119.03510	46.4
119.09863	3.3
131.03520	26.3
132.98227	10.7
143.03523	10.3
155.03549	4.4
156.98175	8.8
160.97720	8.4
161.04578	12.2
174.99219	3.9
179.05634	55.8
203.05634	3.9
217.00316	41.8
223.33089	2.9
229.00362	8.0
369.72858	3.1
439.04297	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	432.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58290	0.5
57.03447	1.9
59.01381	7.6
61.98838	6.6
65.18547	0.5
69.48601	2.6
70.96360	0.6
71.01387	5.4
72.99305	0.8
73.02956	1.1
83.01402	1.8
85.02959	6.9
87.00862	0.7
89.02444	3.0
92.02695	1.8
93.03467	30.4
94.03770	0.8
95.01421	1.2
95.29833	0.6
98.21824	0.9
101.02462	4.9
107.05005	0.9
110.98915	0.6
111.00841	0.8
113.02460	3.3
115.04031	1.0
119.03506	1.4
121.02930	1.3
129.01942	3.4
131.05350	0.5
132.04565	18.9
133.02928	0.8
133.04909	0.8
136.01677	1.4
137.02455	100.0
138.02791	3.3
143.03590	0.7
150.03203	0.6
150.05620	2.3
159.08160	1.2
161.02493	1.3
161.04582	0.8
165.05630	0.9
173.00911	0.6
179.03520	1.7
184.30614	0.6
191.01949	0.8
235.13379	0.6
247.11343	1.7
251.05672	0.8
253.14525	1.7
265.12311	0.8
269.04291	0.6
274.08707	2.6
281.06671	15.9
282.07047	0.9
308.13062	1.2
364.11917	0.7
396.10904	1.0
407.11801	0.6
410.93613	0.8
432.13141	9.0
433.20917	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	432.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60131	0.3
57.03449	0.5
58.97763	0.3
59.01385	4.0
61.98837	2.6
71.01387	3.0
71.94895	0.3
72.66960	0.3
73.02944	0.6
83.01380	1.0
85.02957	3.2
87.00894	0.7
89.02450	2.2
92.02695	1.2
93.03465	28.6
94.03810	1.1
95.01418	0.8
101.02454	3.0
106.04227	0.4
107.05044	0.8
113.02478	2.2
119.03553	0.5
121.02960	1.0
123.04527	0.4
129.01944	0.9
132.04565	18.0
133.03017	0.7
133.04906	0.6
135.04533	0.4
136.01686	1.1
137.02455	100.0
138.02789	4.1
141.07162	0.4
143.05037	0.5
149.02422	0.3
150.05600	2.1
151.04066	0.8
159.08215	0.4
161.04509	0.3
161.75084	0.3
179.03558	1.4
186.05542	0.5
187.06398	0.9
191.03580	0.3
239.05606	0.4
247.11307	1.2
248.11728	0.4
251.05482	0.4
253.14442	0.9
265.12387	1.2
274.08752	1.4
275.09494	0.5
281.06674	15.5
282.07007	1.0
290.11923	0.8
299.07739	0.4
308.12918	0.6
387.20074	0.4
396.10828	0.9
415.19791	0.4
432.12988	8.8
433.13315	0.6
433.20700	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	432.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28125	0.4
55.01880	0.6
57.03458	0.4
57.41971	0.4
59.01383	8.1
61.98823	1.5
67.91854	0.4
69.90983	1.1
69.91302	0.4
71.01376	3.7
73.02950	1.2
73.56147	0.4
74.02514	0.5
75.36707	0.4
79.50506	0.4
85.02943	1.3
89.02453	2.6
92.02694	4.1
93.03467	63.9
94.03802	1.7
95.01402	1.8
97.02872	0.4
99.00923	0.4
101.02467	2.1
108.02190	1.9
113.02448	1.3
119.03518	1.4
123.00893	0.4
129.01904	0.4
131.03784	48.8
132.04590	20.2
133.04878	0.8
134.03731	0.9
135.04536	1.6
136.01671	2.5
137.02458	100.0
138.02797	4.1
142.06021	0.4
147.04526	1.4
158.02495	3.0
158.03682	0.6
174.05635	1.5
175.04053	1.1
191.05579	0.5
197.06242	0.5
207.06682	1.5
234.05476	0.4
252.06700	3.2
254.79808	0.4
265.18143	0.5
268.03815	4.5
269.04175	8.3
270.04834	2.5
294.09875	1.6
301.20227	2.6
313.73389	0.4
432.09482	6.4
432.23669	0.5
433.24728	1.2
437.39621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41449	0.3
57.03426	0.4
59.01382	17.7
59.63032	0.3
60.89361	0.3
61.98838	6.7
70.99596	0.5
71.01392	3.7
73.02956	1.1
76.97715	0.4
82.00601	0.5
85.02962	2.2
85.03417	0.4
89.02451	2.9
92.02689	8.8
92.08385	0.3
93.03467	43.6
94.03793	0.8
95.01389	4.7
101.02434	2.8
108.02190	3.9
113.02464	1.6
114.17615	0.4
119.03481	1.1
132.04570	7.0
134.13585	0.4
136.01671	7.0
137.02457	100.0
138.02800	3.2
140.52850	0.4
161.04510	0.5
179.05496	0.4
199.07686	1.3
208.07718	0.6
226.08620	0.4
252.06627	0.4
269.04263	1.3
344.33508	0.4
404.37820	0.4
432.09912	1.7
433.15323	0.7
433.25247	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	432.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79366	0.9
57.03458	10.0
59.01384	16.0
61.98835	100.0
63.46256	0.9
71.01383	10.1
71.42157	0.9
73.02956	2.5
73.41537	0.9
83.01385	2.7
83.04995	1.9
85.02964	4.5
87.00884	1.2
89.02454	8.4
92.02672	1.3
93.03468	15.8
95.01411	1.5
98.87392	1.0
101.02473	6.8
107.08675	1.2
109.02967	3.5
113.02480	3.1
118.84425	0.8
119.03503	3.0
121.02962	1.0
122.03744	2.1
123.04547	10.5
124.04867	2.8
125.02463	42.8
125.87832	0.9
126.02827	1.9
129.18556	0.8
130.08788	1.1
132.04568	8.2
133.02959	1.8
135.04521	1.1
137.02463	52.6
138.02838	1.8
143.03513	0.8
149.02422	1.6
150.03214	1.5
151.04027	14.6
152.04411	1.0
161.02481	6.7
161.04564	1.7
163.00433	1.1
165.01854	1.1
165.05588	1.8
175.03957	1.8
179.03534	1.4
187.04100	0.9
205.05162	1.1
208.13420	1.0
220.68761	1.2
245.04582	1.2
245.08057	1.0
245.44998	0.9
253.14619	1.8
281.06772	6.3
287.05679	1.4
289.07220	4.1
289.96466	1.1
307.10602	1.0
389.21713	5.0
407.07864	3.6
408.08136	1.2
432.13528	4.1
433.20810	8.0
451.10641	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	432.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
59.01387	100.0
60.01710	4.8
61.98835	3.8
69.24432	10.4
69.58173	1.9
71.01392	35.7
73.02971	5.5
77.89505	2.1
79.86475	2.0
82.47177	1.9
83.01393	5.1
85.02969	10.9
87.00928	2.8
89.02457	36.2
90.02776	2.5
90.08910	2.4
93.03423	2.9
98.27619	2.2
101.02467	21.5
103.21945	2.2
113.02460	13.3
113.06105	47.6
119.03513	13.0
120.57930	2.0
129.34753	2.0
131.03610	2.4
137.02451	4.3
143.03471	3.5
155.10751	3.5
157.10193	2.2
161.04585	4.8
178.43999	2.7
179.03697	2.1
179.05620	9.0
189.09229	3.2
197.11818	4.0
251.16496	3.2
252.13280	3.5
252.16939	3.1
253.18121	7.1
301.20209	6.3
358.14032	4.1
373.22244	4.3
432.23007	5.3
433.24612	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	13.0
59.01384	100.0
69.43040	46.6
71.01382	75.8
73.02917	10.3
85.02943	14.7
87.37402	8.4
89.02442	50.9
90.02798	13.7
91.18397	9.4
93.03447	26.3
98.21854	16.7
101.02435	43.2
103.34063	10.2
113.02454	22.6
114.88901	8.6
119.03499	34.0
131.97008	9.4
137.02451	31.7
138.06854	13.0
143.03484	11.0
152.08434	20.5
153.09294	43.8
154.09561	14.8
161.04543	35.0
162.04893	13.6
172.17436	9.4
179.05597	16.1
205.12355	22.5
223.13367	27.7
224.13869	16.2
241.02106	9.1
378.19897	10.1
385.18561	22.5
386.18900	40.1
418.67209	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	432.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01379	4.2
61.98830	0.7
63.79462	0.6
69.03485	1.5
69.41055	3.2
71.01388	1.5
71.05026	32.9
72.05344	0.9
73.06598	0.9
81.03454	0.8
89.02470	1.0
97.02952	5.5
99.04544	7.6
101.02477	0.8
115.04023	100.0
116.04347	4.2
117.05590	50.2
118.05929	2.1
118.58531	0.6
136.11053	0.7
137.02435	0.8
144.44521	0.7
146.90503	0.7
158.35429	0.8
161.04776	0.8
164.07204	2.1
165.07390	0.8
170.99748	1.6
213.00856	2.5
214.01120	1.4
215.02444	1.2
252.45207	0.8
274.03259	0.7
372.00131	1.7
373.00928	1.9
433.09845	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	432.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	22.2
58.19559	1.6
59.01385	47.0
60.01722	1.7
61.98838	100.0
68.99818	1.9
69.58929	5.8
69.59294	3.2
71.01389	30.0
73.02965	7.3
74.21288	1.6
80.90719	1.8
83.01390	6.5
83.05029	3.4
85.02955	11.9
87.00900	3.6
89.02451	27.1
93.03466	27.5
95.01400	4.4
97.02945	1.8
100.76873	1.6
101.02457	18.0
102.02808	2.2
105.03506	2.4
107.08634	3.2
108.02192	2.6
109.02968	7.8
111.02027	3.6
113.02476	14.5
114.02711	2.5
119.03532	11.0
121.02970	4.4
122.03743	6.5
123.04546	70.3
124.04856	30.1
125.02458	99.3
126.02788	7.0
127.04037	2.4
132.04584	12.6
133.03014	4.4
135.04550	3.2
137.02458	76.5
138.02858	3.0
139.03999	2.8
143.03497	2.5
147.11787	2.6
149.02412	3.4
150.03235	6.6
151.04039	32.0
161.02452	16.1
161.04514	4.2
163.03966	2.3
164.01143	3.5
165.01929	3.3
165.05531	3.8
175.04015	3.5
176.04561	1.8
177.01941	3.8
179.03525	4.8
179.05542	2.9
204.50729	1.8
205.01445	2.3
221.64105	1.6
227.03711	1.9
235.13307	2.0
245.04608	2.7
245.08266	2.9
247.06055	1.7
253.14474	8.5
256.03622	2.0
262.06351	1.6
269.04703	1.9
270.09085	5.8
281.06686	10.3
287.05597	3.8
289.07275	8.7
389.21915	5.5
407.07785	6.2
408.07956	2.2
415.19849	2.4
432.13864	8.9
432.19284	2.2
433.21127	24.1
444.35083	1.9
451.10101	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	432.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01390	42.5
71.01384	25.2
71.40992	3.3
72.99300	2.5
73.02961	7.6
83.01411	3.5
85.02963	8.4
89.02464	14.0
93.03471	36.2
101.02450	16.3
101.06113	3.0
113.02448	14.0
113.32867	2.3
119.03522	7.9
123.04563	12.1
124.04882	7.3
128.25941	2.1
132.04581	19.2
134.59825	2.2
137.02461	100.0
137.84366	2.4
143.92886	2.7
153.09186	2.7
159.08109	2.4
161.04581	10.4
179.05608	5.3
199.09787	2.5
225.14995	5.0
253.14470	6.1
265.12277	2.7
274.08826	3.5
278.22083	2.7
281.06778	12.0
387.20197	6.8
389.21832	9.2
432.13016	6.8
433.20700	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01390	42.5
71.01384	25.2
71.40992	3.3
72.99300	2.5
73.02961	7.6
83.01411	3.5
85.02963	8.4
89.02464	14.0
93.03471	36.2
101.02450	16.3
101.06113	3.0
113.02448	14.0
113.32867	2.3
119.03522	7.9
123.04563	12.1
124.04882	7.3
128.25941	2.1
132.04581	19.2
134.59825	2.2
137.02461	100.0
137.84366	2.4
143.92886	2.7
153.09186	2.7
159.08109	2.4
161.04581	10.4
179.05608	5.3
199.09787	2.5
225.14995	5.0
253.14470	6.1
265.12277	2.7
274.08826	3.5
278.22083	2.7
281.06778	12.0
387.20197	6.8
389.21832	9.2
432.13016	6.8
433.20700	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34232	2.5
61.98834	3.3
63.59173	2.3
65.73830	2.6
69.29311	11.1
84.94522	2.9
95.02293	2.5
98.21931	3.5
113.95476	2.5
117.03422	15.1
119.05041	26.3
145.02963	100.0
145.04115	5.1
163.04025	21.0
287.22311	9.6
298.70889	2.1
315.25327	10.2
381.88440	2.5
422.62772	2.7
433.26019	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1145
Annotation	Robustaside D
Peak:m/z	Relative Intensity
52.59253	0.4
52.67194	0.3
55.01865	0.6
55.91854	0.3
57.03449	0.5
59.01384	8.3
63.02406	0.4
65.00336	1.2
69.03443	0.4
70.05003	0.3
71.01389	8.0
73.02953	1.5
81.03478	0.5
83.01392	1.3
85.02966	4.3
87.00891	0.7
89.02449	4.8
93.03444	1.6
94.03838	0.5
95.01399	0.9
97.02990	0.4
99.00883	0.8
101.02448	4.8
105.03494	0.6
107.01397	2.5
108.02200	3.4
109.02232	0.8
109.02968	12.1
110.03278	0.4
113.02456	3.8
117.03487	1.2
119.03576	1.9
119.05040	5.3
121.02969	0.8
123.00893	0.6
125.02458	1.2
129.01903	0.4
132.02185	1.5
133.02971	31.6
134.03477	1.1
135.04535	11.0
137.02463	1.3
145.02965	0.8
149.02489	0.4
151.00381	7.4
156.60445	0.4
159.02943	0.4
161.02460	100.0
162.02794	5.1
162.77769	0.4
165.01985	1.0
169.01505	0.4
175.03979	0.3
177.01912	1.1
177.05544	1.1
179.03514	6.7
179.05292	0.5
179.05696	0.5
184.11330	0.7
185.06007	0.5
187.04019	0.5
193.01425	1.1
203.03625	0.4
221.04576	1.3
227.07188	0.6
228.76488	0.4
229.05016	0.5
253.14337	0.4
263.05597	0.4
271.06143	13.0
271.09097	0.7
271.14404	0.6
271.19183	0.7
272.06506	1.4
313.07379	3.4
313.15637	1.3
323.07693	6.2
325.31808	0.4
343.08246	1.1
433.11414	63.9
433.24393	1.3
434.11694	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	433.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57949	1.0
57.03450	2.5
59.01384	26.2
61.98838	3.1
62.60684	0.9
70.53588	1.2
71.01389	2.8
71.05006	0.9
83.01393	1.2
85.02940	1.0
89.02452	1.3
99.04568	0.9
101.02443	1.1
105.01960	3.3
106.03624	0.8
108.02213	1.8
109.02949	3.8
113.02460	1.1
115.04008	2.8
117.05563	2.8
119.03543	1.0
120.02164	2.7
123.04556	5.2
125.02454	13.3
126.02792	2.9
128.03386	0.9
135.58620	1.1
137.02490	1.2
148.01668	24.4
149.02444	1.4
150.03305	1.3
151.03998	2.5
152.04373	0.9
153.01872	1.0
153.05594	22.0
161.02457	2.5
163.02715	1.7
163.04028	27.3
164.04393	1.2
165.01988	1.1
166.02708	3.4
167.03467	1.2
170.72498	1.0
179.03537	1.6
181.05077	40.3
182.05341	1.7
196.03783	2.8
211.06134	100.0
212.06363	5.8
213.00874	3.1
215.02443	2.2
217.00166	0.9
254.03154	1.0
289.07129	2.6
373.01233	6.4
374.07629	1.2
400.93826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.03481	2.8
69.26421	10.1
71.01382	12.1
71.05024	7.6
73.37053	1.6
79.07300	1.8
83.05020	2.4
85.02955	4.1
89.02451	7.7
91.81518	1.7
95.05038	14.3
97.02961	5.7
101.02438	7.8
107.05033	5.1
108.05364	1.9
111.04532	5.3
113.02456	17.7
113.06130	8.9
115.04022	79.8
119.03533	11.3
125.06075	5.6
139.03029	3.1
139.04033	40.0
157.05101	9.2
161.04576	3.1
169.05069	5.1
187.06104	2.7
199.06122	13.9
353.21411	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	433.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97714	1.4
59.01387	100.0
61.98829	2.7
62.89775	1.3
69.03462	2.2
70.13029	1.2
70.78381	1.5
71.01392	9.7
71.05017	10.2
81.03452	1.6
83.05038	1.9
85.02949	5.1
88.98846	1.7
89.02458	9.4
89.21786	1.2
93.03477	2.2
95.01380	3.2
95.05038	14.4
97.00269	1.3
97.02968	3.1
97.06615	1.4
101.02454	9.4
107.05035	5.5
111.04517	6.3
113.02474	14.4
113.06126	8.7
115.04027	89.8
116.04367	2.7
119.03516	10.7
125.06084	3.3
139.04034	40.2
140.04370	1.6
140.07181	2.4
145.85539	1.4
151.55455	1.4
157.05054	10.5
161.04559	4.6
166.05025	1.9
169.05118	3.4
187.06148	3.7
191.05544	2.2
199.06094	12.5
208.84296	1.4
291.43814	1.6
351.07111	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	433.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.1
59.96260	0.6
61.39499	0.7
67.01925	1.7
68.99803	1.0
69.13201	2.0
69.13605	2.7
71.01387	5.2
73.02989	0.9
73.76662	0.7
83.01410	2.1
85.02991	1.6
87.00877	0.9
89.02460	3.3
93.03469	2.0
95.01389	14.7
97.02976	1.0
98.22617	1.7
101.02468	3.8
107.05041	1.1
109.02965	1.9
111.00903	2.8
112.98816	1.5
113.02484	2.2
116.43188	0.8
119.03466	1.2
121.02968	1.8
123.00900	16.4
124.01683	6.3
125.02446	2.6
127.00419	2.2
135.04535	1.7
136.98817	1.5
137.02464	3.1
138.03238	11.8
139.00389	12.8
139.04034	6.8
140.01151	1.2
140.04506	0.9
145.02977	1.9
147.04564	1.6
149.02463	2.0
149.06158	0.9
151.00363	1.7
151.03995	1.0
152.01189	3.1
152.04857	1.0
153.01961	4.3
153.05602	3.0
155.10764	0.9
161.02448	1.3
161.04616	2.1
162.03224	3.3
163.04012	1.8
165.01901	1.4
165.05611	1.4
166.02734	9.3
167.03549	2.1
174.03249	1.1
175.04036	3.0
176.01181	2.1
176.04808	0.7
177.01955	5.0
177.05556	6.3
178.02728	12.0
179.03336	1.3
180.04259	1.6
181.05106	7.1
189.01959	2.5
189.05595	1.0
190.02649	1.7
191.03555	6.2
192.04294	7.1
192.07881	1.0
193.05072	19.0
194.05832	0.8
197.11865	1.7
202.49629	0.7
203.03522	4.8
204.04271	2.9
205.05086	2.7
205.08783	0.8
206.05774	1.1
207.06657	8.2
209.04572	1.0
217.05023	0.9
218.05826	6.1
219.02950	0.8
219.06531	1.3
221.04564	1.1
223.06136	1.9
233.04498	1.3
234.05371	1.7
237.07756	1.0
249.07889	1.1
279.02835	0.8
285.03754	0.9
301.20169	1.2
310.04840	0.8
315.08807	1.6
325.03818	1.1
325.07343	1.7
327.08765	0.8
339.08661	1.2
340.05838	1.2
343.08194	7.1
355.08237	4.5
357.09940	1.2
358.06436	1.4
358.10590	12.8
359.11203	2.7
370.10794	1.2
373.09427	3.8
373.13010	50.0
374.13434	4.7
385.09091	2.0
385.13113	2.6
403.10226	12.7
403.14117	14.2
404.10077	1.3
404.14694	1.5
418.12708	18.0
418.17914	1.5
419.13187	1.8
433.15070	100.0
434.15442	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	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10315	0.7
57.03461	3.9
59.01383	100.0
60.01713	1.1
60.49813	0.8
61.53722	0.7
68.14663	0.8
68.21423	0.9
69.52568	2.6
71.01379	5.5
73.02928	1.8
81.03488	0.8
83.01398	0.9
85.02946	1.9
87.00854	1.5
89.02485	1.8
90.93813	0.8
93.03463	0.8
97.06596	0.7
101.02413	3.9
109.02972	1.5
111.08125	0.9
113.02438	3.9
119.03471	1.4
119.05041	0.9
123.04539	2.4
125.02456	16.3
126.02813	3.8
131.03519	0.8
132.86726	0.8
133.02988	1.7
135.04514	3.1
144.04568	8.8
145.01408	1.0
145.05354	1.0
149.02385	2.0
151.04021	3.8
157.05261	1.8
161.02441	3.4
161.04549	2.7
164.01123	1.0
165.01897	1.0
181.05069	3.3
183.06674	0.9
196.07382	4.1
199.10046	1.4
200.10814	29.6
204.69812	0.8
205.05072	0.9
211.06082	1.7
211.09729	6.3
225.71754	0.9
269.84192	0.8
289.07111	1.7
290.07550	1.0
293.08759	5.2
362.16129	3.0
433.13181	3.0
433.20862	1.3
434.14548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36232	0.6
57.03455	1.8
58.02313	0.6
59.01389	13.2
61.20206	0.7
61.98838	17.6
69.46026	2.5
69.46377	1.0
71.01389	5.0
73.02943	0.9
77.75463	0.6
80.09794	0.6
80.32443	0.6
82.56548	0.6
84.40793	0.5
85.02940	1.3
86.51952	0.7
87.00882	4.1
87.04537	0.7
89.02436	3.0
95.01416	0.6
95.77940	0.5
97.06630	0.8
101.02464	3.2
111.08181	0.6
112.98837	2.3
113.02480	1.3
113.09707	0.8
117.64351	0.6
119.03504	1.2
127.11287	0.6
133.02937	0.7
149.00943	1.2
150.77759	0.6
155.10654	0.7
186.93245	0.6
213.81940	0.7
221.19121	21.6
222.19504	1.0
227.16545	1.7
234.79649	0.8
236.06944	0.6
237.11198	0.7
237.18581	0.6
239.20164	3.0
253.18121	1.8
257.17654	2.6
257.21216	0.7
265.18130	15.4
266.18503	1.5
283.19193	16.5
284.19611	1.5
289.23099	0.8
301.20233	100.0
302.20554	7.7
326.65744	0.7
428.88531	0.7
432.26898	0.8
433.24673	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	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.7
58.00597	2.4
59.01386	100.0
60.01696	2.4
62.95589	2.6
69.03458	2.7
71.01386	61.2
71.05030	4.0
72.99285	2.8
73.02954	8.3
75.00888	3.6
81.03498	3.6
83.01382	5.5
83.05032	17.0
85.02959	13.5
89.02453	48.0
93.03461	7.5
94.03833	3.9
95.01405	3.8
97.02982	2.5
99.00935	2.6
101.02469	31.2
113.02452	20.8
119.03531	20.9
119.05057	7.5
123.08223	4.8
125.02438	4.1
127.03983	2.2
131.03436	2.4
132.04575	8.2
133.03024	2.7
133.04863	3.6
135.04510	2.8
137.02455	22.4
138.02798	8.9
143.03558	2.5
145.38034	2.1
149.02536	2.9
151.00578	2.3
153.09232	3.3
161.02458	6.8
161.04591	8.6
179.05669	6.0
193.01373	6.6
225.15002	9.2
253.14499	26.8
271.05930	2.4
271.15582	3.5
281.06741	3.8
292.57016	2.9
301.20126	2.9
313.07159	15.2
343.08093	3.6
345.15710	2.5
384.97455	2.1
387.20261	39.5
390.22165	3.0
433.11905	2.7
433.20724	57.6
433.25882	2.9
434.21246	6.7
449.51587	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	433.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01384	100.0
60.01717	0.7
61.98840	2.4
67.01884	0.6
68.99851	0.4
70.68047	0.6
71.01392	5.6
73.02983	1.2
83.01418	0.9
85.02964	2.0
88.46407	0.5
89.02448	4.2
93.03507	1.2
95.01390	4.8
101.02457	3.6
107.05095	0.5
107.18862	0.4
111.00908	1.3
112.98859	0.6
113.02445	2.6
119.03517	1.7
119.05001	0.6
121.02982	0.6
123.00894	4.4
124.01688	2.2
125.02473	1.0
127.00414	1.0
131.05026	0.6
133.02969	0.8
135.04532	0.5
136.01704	1.5
136.98819	0.9
137.02455	2.5
138.03223	3.5
139.00397	5.0
139.04034	1.8
143.03522	0.6
145.02962	0.7
147.04521	1.4
149.02505	0.6
150.74574	0.5
151.00349	2.1
151.04013	1.7
152.01196	1.3
153.01956	1.0
153.05608	0.9
154.02751	0.6
159.04465	0.4
161.02382	0.8
161.04585	1.1
162.03287	1.4
163.03972	0.6
166.02728	4.6
167.03445	0.8
174.03175	0.5
175.04034	1.1
176.01190	0.7
177.01959	2.2
177.05618	1.3
178.02763	3.5
179.03508	1.0
179.05704	1.0
181.05072	6.2
189.01953	0.8
190.02873	0.6
191.03548	2.1
191.05597	0.6
192.04312	1.8
193.05096	5.1
197.11780	0.5
203.03505	6.2
204.04146	0.8
205.05173	0.5
207.06622	2.0
209.04581	0.7
217.05075	0.6
218.05838	4.2
219.02939	0.5
219.06401	0.9
221.19116	0.4
233.08116	3.0
234.05476	0.5
249.07695	0.6
265.18060	0.7
281.06671	0.9
283.19098	0.7
301.20251	4.9
302.20673	0.8
331.17871	0.8
339.08786	0.5
343.08209	2.9
355.08218	1.5
357.09964	0.6
358.10455	3.5
373.09103	0.9
373.12961	19.0
374.13342	1.9
385.08746	0.8
385.13034	1.8
403.10199	2.7
403.14731	5.4
415.14197	0.7
418.12634	7.0
419.13129	0.7
433.15103	31.3
433.24680	1.7
434.15390	3.2
435.59793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00859	1.0
53.42793	1.0
55.01875	1.6
57.03439	3.9
58.00580	1.5
59.01385	100.0
63.08749	1.0
65.09389	1.2
67.05514	1.3
69.03446	2.6
71.01387	59.0
71.05040	1.3
71.19899	1.5
72.99314	2.2
73.02956	7.4
76.78147	1.0
81.03457	2.0
83.01400	5.4
83.05030	21.7
85.02952	16.7
85.95250	1.0
87.00890	2.3
87.04523	2.7
89.02452	53.6
93.03468	3.3
95.01381	5.0
95.08662	1.5
96.30377	1.2
97.02944	2.4
99.00859	2.7
101.01804	2.0
101.02451	38.9
107.01259	1.3
107.08665	2.3
109.06577	1.3
110.03534	1.1
113.02459	21.6
115.04027	1.3
116.92855	2.6
119.03516	22.5
119.04973	6.7
121.02988	2.6
123.08167	10.1
125.02451	2.6
125.09701	1.4
127.04025	1.8
129.01930	2.5
131.03465	2.2
133.02917	3.9
135.04501	1.8
136.01691	1.3
137.02478	7.1
143.03488	3.9
149.02481	6.8
149.04553	2.2
150.03253	8.5
151.00291	1.4
153.09137	1.5
161.02486	7.4
161.04503	7.5
161.13309	1.9
165.05562	8.2
173.00951	1.3
179.05603	6.6
193.01398	3.7
195.06548	5.0
219.06618	1.8
225.14909	3.5
227.07112	2.0
235.13365	1.2
253.11884	1.9
253.14474	34.2
254.14725	2.5
271.06113	1.4
271.15424	3.3
271.19104	1.8
281.06488	1.4
313.07239	14.8
314.07388	1.5
323.07626	2.9
343.08310	3.5
351.87262	1.3
367.11688	3.2
385.12833	1.7
387.20267	57.7
388.20651	6.6
415.19473	1.5
418.78210	1.3
433.11136	3.1
433.20651	83.7
434.20911	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	433.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06546	0.4
56.78177	0.4
59.01383	100.0
60.01719	1.2
61.98835	1.6
67.01913	0.7
69.32619	1.3
69.33025	1.0
71.01398	3.6
73.02969	1.0
83.01396	0.7
85.02968	1.2
87.00911	0.5
89.02451	2.3
93.03504	0.8
95.01393	5.0
97.02924	0.4
99.00922	0.5
101.02451	2.1
107.05070	0.5
109.02997	0.7
111.00890	1.0
111.82654	0.4
113.02473	1.5
119.03504	1.0
119.05054	0.8
121.02992	1.0
121.06619	1.0
123.00898	5.9
124.01675	2.1
125.02464	1.2
127.00380	1.1
133.26624	0.4
135.04546	0.5
136.01663	1.2
136.98927	0.8
137.02454	1.9
138.03244	3.8
139.00377	5.6
139.04031	2.4
140.01093	0.5
141.02010	0.5
145.03036	1.1
147.04549	1.7
149.02481	0.6
149.06062	0.4
150.03246	0.6
151.00401	2.2
151.03983	0.9
152.01149	1.4
153.01979	1.0
153.05609	1.2
159.04559	1.0
161.02507	0.7
161.04564	0.9
162.03273	1.6
163.04001	0.9
166.02698	5.2
167.03513	1.0
173.02463	0.5
174.03323	0.5
175.03995	2.5
176.01155	0.9
177.01924	2.0
177.05623	1.7
178.02744	4.8
179.03421	0.6
180.04256	0.5
181.05096	7.2
187.04135	0.5
189.01897	1.1
189.05411	0.5
189.98892	0.4
190.02710	0.8
191.03564	2.4
192.04289	2.3
193.05081	5.9
194.05563	0.5
202.02782	0.4
203.03513	6.7
204.04230	1.2
205.05087	1.3
207.06570	2.7
218.05864	5.8
219.06450	1.0
221.19084	0.8
221.21198	0.4
233.08231	3.6
257.75159	0.4
265.18167	0.9
283.19220	0.8
301.20227	5.6
302.20615	0.5
315.08752	0.4
325.03745	0.6
331.17624	1.0
343.08096	2.6
355.08270	1.1
357.10098	0.9
358.10574	4.4
370.10696	0.9
373.09271	1.2
373.12994	18.9
374.13467	2.0
375.10873	0.8
385.09164	1.4
385.13101	1.4
403.10242	3.8
403.14865	5.0
404.10236	0.5
404.14713	0.5
415.14255	0.9
418.12640	7.8
419.13229	0.7
427.49939	0.5
433.15094	36.4
434.15536	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	433.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46591	0.5
55.01884	5.1
57.03449	4.1
58.00593	0.6
59.01387	53.9
61.98836	16.1
69.03437	1.5
69.41965	0.5
71.01392	57.2
72.01708	0.9
72.99313	0.7
73.02956	34.8
75.00872	1.8
78.02634	0.6
83.01404	11.1
85.02962	32.3
86.00108	0.8
87.00886	2.7
89.02459	11.6
95.01395	3.5
97.02982	3.0
98.21833	1.6
99.00894	10.4
99.04533	0.6
101.02458	54.5
102.02789	1.3
109.02953	2.4
111.00900	1.2
113.02464	23.3
113.19247	0.5
115.03987	2.3
119.03468	1.1
125.02477	4.0
129.01936	1.2
131.03496	3.6
137.09793	0.7
143.03529	2.8
145.03008	3.0
146.03723	1.8
147.04507	0.8
149.04532	1.5
155.10768	0.6
159.03035	4.5
161.04581	23.1
173.02388	1.4
179.03528	0.9
190.02704	1.3
191.05609	1.7
205.03270	1.0
205.05090	12.8
217.05070	1.6
233.06656	3.2
234.07057	0.6
253.18086	1.8
261.04175	0.8
267.06567	1.0
271.06100	0.9
277.04840	0.7
293.08743	1.5
301.16617	67.7
302.16876	5.2
327.08881	3.1
339.04962	0.9
371.07864	5.3
373.22321	0.6
433.20667	100.0
434.21005	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	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86277	0.5
59.01385	100.0
60.01736	0.8
61.98849	1.0
69.60531	2.4
71.01386	7.4
73.02959	2.4
74.04633	0.4
76.26411	0.4
76.34644	0.6
83.01389	0.6
85.02978	2.2
89.02458	6.6
92.02708	1.0
93.03470	1.7
95.01392	0.6
98.21831	0.6
101.02444	5.9
113.02477	3.7
119.03545	2.6
126.95947	0.5
127.09621	0.5
130.08684	0.9
135.04562	0.8
136.01698	0.9
137.02461	3.6
143.03566	0.9
149.04579	1.0
161.02487	1.1
161.04544	2.5
179.05650	1.6
301.20386	0.9
433.25119	4.1
434.14774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82425	0.4
69.27628	0.8
69.28036	0.7
73.69424	0.3
78.95911	55.4
96.96968	6.9
113.03847	0.3
113.55215	0.3
150.98029	2.1
152.99603	100.0
153.99960	1.0
171.00665	3.5
187.72014	0.3
245.66875	0.3
279.23398	1.3
433.23605	5.2
434.23883	0.6
458.03644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55137	0.2
78.95910	52.6
80.85290	0.2
84.41911	0.2
95.98736	0.2
96.96971	6.7
97.92529	0.2
134.55832	0.2
150.98048	1.6
152.99602	100.0
153.24033	0.2
153.99963	1.1
171.00682	3.7
262.65253	0.2
265.21689	1.8
279.23203	1.1
433.23624	6.1
434.23868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59118	0.2
56.68355	0.2
62.81079	0.2
62.96421	0.2
69.26924	0.4
69.27332	1.0
78.95908	52.1
96.96967	6.1
137.11327	0.2
150.98019	2.0
152.99597	100.0
153.99944	1.5
171.00655	4.4
171.80766	0.2
221.86626	0.2
256.48120	0.2
279.23343	0.9
433.23611	6.0
434.23938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03457	5.3
58.00573	1.5
59.01385	100.0
60.01710	1.4
61.98859	1.3
69.03478	0.9
69.59792	1.4
69.60137	3.5
71.01387	60.5
71.05039	1.3
72.99310	2.1
73.02955	9.0
83.01389	5.4
85.02956	28.4
85.03471	1.4
87.00888	3.4
87.04542	5.0
89.02454	46.2
93.03461	4.2
95.01383	5.2
96.60398	0.9
99.00880	2.1
101.02451	38.3
102.02801	1.1
109.02943	1.0
113.02465	24.0
113.06054	0.9
114.02802	1.3
119.03517	24.1
121.02987	3.1
125.02496	1.6
127.07642	1.8
129.01967	4.0
129.86203	0.9
131.03577	2.7
132.04582	2.7
133.04977	2.2
137.02437	6.7
138.02811	1.9
143.03522	4.4
149.04610	2.9
153.25761	0.9
157.08696	10.2
159.03035	3.6
161.02545	4.4
161.04575	15.8
179.03540	1.0
179.04173	1.0
179.05676	7.6
182.77429	1.0
183.13992	1.3
191.02084	1.3
216.50943	0.9
271.19211	6.0
272.19745	1.2
281.06879	2.8
282.07138	3.4
301.20294	1.8
403.14209	1.1
433.11490	1.7
433.24634	39.1
434.24823	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	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
58.00579	0.4
59.01384	100.0
60.01730	1.6
61.10736	0.4
69.03466	0.9
69.15984	2.6
71.01388	7.3
73.02967	1.2
83.01418	0.8
84.68066	0.5
85.02948	2.2
87.00904	1.1
89.02454	5.7
95.01389	0.7
97.06631	0.6
101.02460	4.5
101.14015	0.4
113.02462	3.9
119.03525	2.8
121.03724	0.5
135.04570	0.5
143.03563	0.6
147.03304	0.7
155.07198	0.7
155.10896	0.6
159.01227	0.4
161.04613	1.9
162.39325	0.4
173.08195	0.9
179.05771	1.2
229.04315	0.5
242.42923	0.4
283.19397	0.7
286.04019	0.4
301.20218	9.4
301.23495	0.6
302.20615	0.7
309.08804	0.5
373.22336	2.0
433.11407	0.8
433.16782	1.0
433.25192	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	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38563	0.4
55.01882	1.1
57.03454	0.6
58.37766	0.4
59.01384	100.0
60.01710	1.1
61.98843	0.9
62.43794	0.4
69.45659	1.8
71.01385	8.6
71.01743	0.7
73.02955	3.5
83.01421	1.6
85.02959	3.6
87.00892	0.9
89.02460	1.6
93.03513	0.5
95.01421	0.7
97.02941	0.4
98.22662	0.8
99.00917	1.1
101.02454	8.9
113.02444	4.2
119.03551	0.9
127.93923	0.4
137.02464	0.7
143.03491	0.9
157.21483	0.5
159.03015	1.1
161.04576	8.7
161.05847	0.5
179.05669	0.4
183.13889	1.8
201.60118	0.4
221.19107	0.4
256.03244	0.4
265.18167	0.7
285.03812	0.5
286.04260	0.6
287.04684	0.9
301.16669	2.5
301.20346	3.5
373.22293	14.3
373.26862	0.7
374.22910	1.7
433.10236	0.7
433.15369	0.7
433.20154	4.2
456.56165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03455	0.7
57.57420	0.4
59.01388	100.0
60.01716	0.7
61.98832	1.0
67.02290	0.5
68.66064	0.4
69.43253	2.2
71.01394	9.4
73.02959	4.4
83.01421	1.1
85.02958	5.8
87.00896	1.1
89.02472	2.7
93.03466	0.7
95.01421	0.9
99.00905	1.9
101.02462	9.4
111.00896	0.6
113.02470	4.7
113.13004	0.5
119.03479	0.5
131.03575	0.7
137.02481	1.2
138.02841	0.5
143.03534	0.5
149.00969	0.9
159.03059	1.1
161.04579	7.8
183.13916	3.3
221.19063	0.9
255.03392	0.5
257.03802	0.6
283.19177	1.0
285.04050	0.6
286.04193	0.7
301.16666	5.5
301.20303	5.7
373.12900	1.7
373.22345	8.9
374.22839	1.0
399.16614	0.5
433.15244	1.1
433.20920	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	433.2601
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
52.79903	0.8
59.01379	0.8
61.98832	1.2
69.89554	2.6
78.95903	1.5
87.70924	0.9
96.96026	2.6
104.98495	1.0
117.03480	15.3
119.05048	24.6
120.24732	0.8
121.02990	0.8
131.17757	0.8
132.86592	1.0
145.02966	100.0
146.03281	5.3
152.99626	2.2
163.04027	19.4
170.91135	0.9
191.18658	0.9
192.95825	1.8
269.21313	1.5
287.22336	5.8
288.22638	1.0
293.93314	1.0
433.25980	28.0
434.26242	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	433.2597
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
56.73357	1.2
63.16550	1.2
71.37483	1.0
92.26032	1.2
112.38269	1.0
117.03474	14.7
119.05035	25.0
136.32782	1.1
143.58286	1.2
145.02965	100.0
146.03313	4.0
152.99606	1.8
161.24945	1.1
163.04005	18.1
164.04295	1.4
192.61618	1.0
192.95821	1.9
195.32607	1.2
269.21249	3.3
287.22391	6.6
311.52374	1.2
351.81882	1.1
433.25967	33.9
433.31937	1.7
434.26160	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	433.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98837	2.7
71.40772	1.7
77.78317	1.5
78.95914	4.8
96.96011	2.0
105.94310	1.8
141.83582	1.4
147.11557	1.8
152.99599	6.6
299.25888	4.1
315.76923	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85696	1.1
59.01381	100.0
61.98832	1.9
62.11246	1.2
64.95953	1.3
70.56466	1.8
72.77518	1.4
72.94095	1.3
78.95879	4.9
127.50268	1.4
152.99625	7.6
229.22081	1.4
265.21710	1.3
299.25848	4.1
370.28137	1.3
371.45847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89509	0.7
55.01874	2.1
56.56964	0.8
57.03439	1.3
57.21603	0.9
59.01390	35.0
60.01717	1.0
61.98837	100.0
69.22099	3.6
71.01387	17.4
72.01735	2.1
73.02959	9.0
74.03352	0.8
83.01398	1.9
85.02966	8.9
87.00874	1.5
89.02469	4.7
95.01374	1.1
97.02998	1.4
99.00907	2.2
99.12983	0.9
101.02471	14.5
102.27599	1.0
109.02963	11.1
113.02469	7.4
113.07047	1.0
115.03953	1.1
117.03441	1.1
119.03476	1.5
121.02982	0.9
125.02439	2.9
131.03471	1.0
137.02455	1.0
143.03485	1.0
145.02972	16.7
146.03763	17.7
147.04536	1.7
149.99510	1.2
157.02927	1.1
158.03751	2.9
159.04503	2.5
161.02449	1.1
161.04532	5.9
163.03967	1.9
168.00664	2.6
173.02446	8.0
177.05499	1.2
187.04051	1.4
188.04823	1.3
190.02766	11.1
191.05675	1.5
203.03680	1.2
204.04294	3.4
205.05081	74.7
206.05441	3.4
217.05066	10.6
229.01364	2.6
249.05574	1.6
261.04114	3.4
267.06738	4.2
268.07248	1.4
285.04190	1.0
295.06189	5.6
301.16647	11.6
302.16928	8.1
327.08762	24.0
327.12659	1.2
328.09229	1.7
339.05289	4.2
371.07770	32.2
372.08029	3.2
433.20230	9.2
434.20914	17.2
435.09262	3.7
435.21985	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	434.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.8
59.01383	74.0
60.01715	3.4
61.98837	14.5
69.09930	4.3
69.10333	7.2
71.01376	7.1
73.02921	2.1
75.32799	1.8
77.38602	1.7
81.03500	1.9
83.01392	7.8
85.02967	3.4
87.00920	2.2
89.02480	4.6
93.03450	3.8
94.02993	5.4
95.01385	4.9
97.02961	2.9
101.02440	5.3
109.02994	10.6
113.02460	3.5
118.02977	2.5
121.02947	7.9
123.00895	3.5
123.04551	9.2
125.02464	57.4
126.02845	2.6
133.02950	10.7
135.00896	1.8
135.04527	8.7
137.02431	4.5
138.03256	1.8
139.04045	2.8
140.35181	1.9
145.02910	3.2
146.02492	64.5
146.03645	3.3
147.02962	2.7
147.04520	3.2
148.01596	2.4
148.04086	2.1
149.02428	6.5
151.04001	3.9
154.04179	2.1
157.01788	1.8
157.02992	5.2
158.02478	8.1
158.03685	2.6
159.04530	11.5
160.04001	9.1
161.02451	40.8
162.01978	40.9
162.03229	4.4
163.00360	4.1
163.02272	2.3
163.04103	2.6
164.01157	12.3
165.01910	4.8
171.04523	4.6
174.01947	6.6
175.03973	8.4
177.01936	5.2
177.05524	2.8
183.04546	3.5
183.10327	2.6
184.04044	100.0
185.04385	4.7
185.05939	3.4
186.01968	43.9
187.03952	3.3
196.03922	2.9
198.03232	10.8
198.05603	3.7
199.03967	12.5
201.00633	5.2
201.05612	14.8
202.01428	8.6
203.03514	8.2
204.03859	2.0
205.05025	7.0
210.05603	2.0
211.03958	9.1
212.04706	3.5
213.02019	10.0
213.05528	14.3
214.05968	2.0
219.06415	2.4
222.05627	2.9
227.03555	19.4
228.02913	2.7
236.03450	3.2
237.04341	6.7
238.04961	5.6
239.03491	16.2
239.05624	2.9
240.04431	2.8
240.06676	4.8
241.01378	7.0
241.05087	16.9
242.02174	14.3
243.02986	23.2
243.06618	2.2
245.04538	9.4
252.03038	3.6
253.05153	5.8
255.03036	15.9
255.05539	2.2
255.06378	1.7
256.03690	3.0
257.04648	11.6
264.03018	12.2
265.03818	6.4
266.04520	3.0
269.04547	3.4
272.05707	13.2
282.04080	6.2
283.02451	18.3
284.03098	2.3
285.04129	3.9
286.04834	2.7
287.05597	7.5
289.16708	1.8
297.04077	3.6
301.20255	2.1
302.20508	3.6
311.04504	3.5
313.63638	1.9
315.08975	2.1
324.05130	5.6
329.55853	2.2
348.08774	6.6
363.08646	16.6
364.09109	3.2
372.08951	2.5
374.13071	2.4
389.06674	2.5
390.09882	13.3
407.07779	30.5
408.08124	2.3
416.07782	86.0
417.08075	11.7
421.23712	2.0
433.15103	2.0
433.28265	26.8
434.08749	22.4
434.15335	8.0
434.28638	13.8
435.08112	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	434.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56664	1.9
53.86012	1.7
57.03454	10.5
59.01383	62.8
60.01717	2.6
61.98837	16.9
70.91618	3.0
71.01392	8.1
73.02949	3.9
83.01390	10.0
85.02969	5.5
89.02461	7.3
93.03465	2.8
94.03012	7.9
95.01393	3.1
101.02476	4.1
109.02956	12.5
113.02503	3.0
117.03497	2.4
118.03004	4.5
121.02976	12.1
121.03754	1.7
123.04532	15.0
125.02461	65.5
129.09254	1.8
133.02966	14.4
134.02498	3.4
135.04501	9.6
137.02460	5.5
145.02959	2.0
146.02496	75.5
146.03661	3.7
147.02806	2.7
148.04047	2.7
149.02458	5.7
151.04039	5.1
157.01788	2.4
157.02972	8.3
157.06609	1.8
158.02501	5.9
159.04497	10.8
160.04015	9.2
161.02461	48.7
161.06062	2.1
162.01967	41.4
162.03134	4.1
163.00410	5.5
164.01167	17.7
165.01913	7.2
167.03627	2.4
167.05045	2.9
171.04558	3.0
174.02005	9.0
175.04057	10.5
176.01233	2.0
177.02042	5.1
177.05623	2.5
183.04500	4.9
183.10329	2.4
184.04045	100.0
185.04385	6.2
185.05991	2.4
186.01970	53.9
187.02382	3.2
187.04041	3.2
189.05501	2.3
196.04010	3.1
198.03227	12.1
198.05611	2.1
199.04044	14.6
201.00607	4.0
201.05612	15.7
202.01488	8.2
202.04990	2.0
203.03572	5.4
205.05116	10.9
210.05661	2.3
211.04034	8.3
212.04808	5.5
213.01949	12.6
213.05605	15.0
214.02518	2.7
223.02647	2.4
225.05655	4.0
227.03543	19.3
228.02980	2.4
236.03482	3.9
237.04317	6.4
238.05096	7.2
239.03497	15.9
240.04167	2.4
240.06683	5.6
241.01514	8.9
241.05083	19.2
242.02190	13.6
243.02971	24.9
243.06708	3.7
245.04483	11.9
252.02980	3.6
253.05070	6.7
255.02939	18.9
256.03574	5.0
257.04602	13.1
264.03040	11.8
265.03763	8.4
266.04526	3.8
269.04501	5.1
272.05722	16.5
280.06140	2.1
282.04117	6.0
283.02460	22.3
285.03952	3.4
287.05624	11.6
289.16556	2.4
297.04077	2.5
301.20392	2.6
302.20499	2.6
303.21909	3.3
311.04340	2.4
324.05103	7.9
348.08780	8.9
363.08789	17.2
390.09937	13.4
407.07809	33.8
408.07938	3.3
415.27328	2.6
416.07773	92.6
417.08127	14.7
433.28223	35.4
434.08890	28.9
434.15356	4.6
434.22690	3.3
434.28482	18.4
435.08002	2.7
448.42630	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	434.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79156	1.5
76.77870	0.8
81.14919	0.7
121.72112	0.8
154.91553	0.8
164.83640	0.9
230.04582	0.8
245.03749	0.8
246.04388	3.9
247.05203	1.1
262.03821	1.8
270.02927	2.3
271.03680	0.9
274.03842	1.3
275.04642	2.9
277.06064	3.7
285.05307	4.4
290.03439	2.6
293.05777	1.8
303.61478	0.9
305.05698	10.9
306.03867	4.3
320.05331	1.1
321.05188	15.2
332.04471	8.0
333.05185	38.6
334.02231	5.1
334.05832	13.1
335.06726	1.9
336.07513	3.7
347.06876	8.1
348.03958	1.0
348.07571	13.9
349.04593	20.0
349.08243	2.8
350.04620	1.7
360.03711	1.3
363.06100	2.2
364.06894	6.6
365.05566	1.6
374.05396	2.5
375.06241	16.1
376.05957	6.1
377.03995	8.6
379.09500	3.2
391.05490	2.0
392.06528	28.8
393.06784	2.9
401.06686	1.2
402.07404	7.8
407.08865	100.0
408.09192	11.4
417.09436	1.2
419.07635	19.2
420.07858	2.8
434.09943	77.5
435.10388	8.3
448.85779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01386	40.9
60.01726	0.8
61.98830	1.7
67.99985	0.6
70.60290	1.2
71.01383	15.6
73.02948	2.0
73.41907	0.6
82.00605	1.0
85.02963	4.1
87.00901	1.9
87.04466	0.6
87.27477	0.5
89.02458	12.2
92.02695	20.2
93.03471	27.3
95.01389	9.1
97.62172	0.6
99.00929	0.9
101.02455	9.0
108.02193	7.5
113.02448	5.3
113.16284	0.6
116.05154	0.8
119.03536	5.7
121.02927	0.8
123.00954	0.8
130.80090	0.7
134.06136	0.9
136.01683	20.7
136.28258	0.6
137.02460	100.0
138.02802	3.8
141.09209	0.6
148.27557	0.7
155.10814	10.0
157.38028	0.6
160.99129	0.6
161.04567	1.7
163.70575	0.6
179.03520	1.4
179.05658	1.3
199.09683	3.3
209.65729	0.7
210.09293	3.9
221.07225	0.7
227.07208	0.9
254.08240	6.9
301.20026	1.0
302.20551	1.9
303.21786	14.2
434.14636	23.1
434.25055	1.9
435.19006	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	434.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.0
60.01717	3.6
61.01811	1.7
61.98835	100.0
67.81338	0.8
69.21767	4.1
71.01395	4.5
73.02949	1.5
85.02980	1.8
87.00859	1.0
89.02450	3.9
101.02457	3.1
113.02444	2.2
119.03526	0.9
135.86455	0.8
161.04590	1.4
177.95966	0.8
191.05600	0.9
204.66554	0.9
221.19185	1.3
222.19307	1.6
265.18015	0.8
266.18381	2.0
284.14597	0.9
284.19440	1.1
301.20230	4.6
302.17133	1.7
302.20547	14.8
303.21771	1.7
374.21805	1.0
426.63339	0.9
434.24521	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	434.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.7
58.91930	1.8
59.01385	100.0
60.01727	5.4
61.98837	64.4
70.99573	2.5
71.01387	32.7
72.01738	5.8
72.61956	1.5
73.02961	9.0
79.60258	1.7
81.50845	1.4
83.01360	3.9
83.91354	1.5
85.02968	14.1
86.72889	1.8
87.00875	2.2
89.02461	26.9
90.02785	5.2
95.01398	4.6
99.00901	2.3
101.02456	22.0
102.02763	4.2
108.91414	1.6
113.02484	11.2
114.02805	4.0
119.03509	9.9
120.03866	3.4
121.02955	2.0
123.00898	3.8
123.90116	2.0
124.01664	2.9
125.02561	1.9
131.03467	1.8
137.02469	2.7
138.03229	3.5
139.00389	5.8
139.04010	2.2
140.00731	3.3
143.03587	2.0
144.03844	2.3
151.00439	2.1
161.04541	9.1
162.04919	4.3
162.06354	1.5
166.02705	2.7
175.03987	2.3
176.04283	2.3
177.05504	1.8
178.02539	1.8
179.05627	5.9
184.56076	1.6
193.05092	2.8
194.05482	2.4
203.03485	2.1
271.19260	2.2
287.04434	2.0
302.20416	3.8
344.08701	5.1
358.10300	3.1
359.10849	8.3
373.13074	3.5
374.13300	27.2
375.13223	1.8
386.13324	2.9
404.09973	3.1
404.14316	7.2
419.13174	10.1
434.09738	3.6
434.15463	47.9
434.24878	6.7
435.15637	7.1
435.21912	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	434.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.1
59.01385	100.0
59.24448	4.4
61.98832	5.8
71.01395	68.5
71.43982	5.3
72.99345	4.6
73.02945	21.5
74.02489	6.0
83.01397	6.0
83.05024	20.9
85.02962	16.6
89.02478	27.5
93.03449	8.5
98.27431	4.4
99.00822	5.6
101.02454	34.2
108.02189	32.4
109.02968	27.4
113.02464	22.1
119.03515	12.0
121.02983	8.4
124.07652	5.6
137.02452	20.0
152.01184	35.6
153.01918	18.4
161.04562	26.0
168.06639	5.4
173.04933	4.5
178.99319	4.8
203.57787	4.2
210.90833	4.7
211.68655	4.8
255.16063	29.2
275.15088	5.9
314.07690	5.3
351.05612	4.4
391.23352	17.5
394.48801	5.0
434.21054	23.1
435.09329	56.1
435.22293	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.0
59.01388	100.0
61.98825	6.0
69.41622	16.1
71.01390	54.6
73.02954	21.5
83.05040	10.4
85.02952	13.7
89.02452	22.3
93.03439	6.6
101.02457	42.5
108.02185	18.6
109.02979	24.4
113.02451	20.7
113.90063	5.0
119.03511	9.4
119.04964	5.2
120.83462	4.6
125.02444	5.1
137.02425	13.3
143.03474	5.6
152.01115	24.8
153.01930	14.7
155.10854	6.7
161.04561	17.8
254.14774	7.1
255.16028	23.4
281.06552	5.3
317.19916	4.6
391.23337	19.9
434.21243	14.3
435.09409	35.5
435.22351	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39595	16.2
55.23782	18.5
78.95914	71.5
107.59268	19.4
130.42886	20.4
149.80545	15.8
152.99577	100.0
153.23999	16.4
188.65501	15.5
199.46579	16.2
283.86575	22.4
443.66364	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	434.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38467	11.2
59.01384	100.0
60.01717	14.1
61.01814	22.8
61.98838	28.6
64.63237	10.9
80.96572	11.1
103.01514	21.1
150.37979	12.0
152.29099	12.1
333.54898	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	434.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01711	14.7
61.01807	15.5
61.98859	25.5
66.44555	10.4
69.88386	33.1
71.01357	9.9
84.90255	10.3
98.22022	19.5
109.10236	11.6
111.66315	10.5
152.99568	14.7
153.99939	13.7
163.60246	10.3
434.24722	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	434.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75286	24.6
59.10630	21.9
69.59866	100.0
98.21864	31.1
116.98543	27.4
257.52106	28.3
273.55927	26.4
290.35471	25.3
391.29584	99.2
420.88531	24.2
429.97128	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0936
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
57.03456	1.0
59.01384	9.4
61.98837	1.5
70.94987	0.8
71.01395	8.7
73.02965	2.5
81.03465	1.0
83.01387	1.0
83.05079	0.5
85.02966	4.9
89.02454	2.9
89.06094	1.7
92.02692	0.8
93.03466	17.0
95.01387	1.3
99.63146	0.6
101.02462	4.3
108.02186	60.8
109.02972	36.4
110.03326	0.9
113.02439	3.6
119.03524	1.0
121.02931	3.2
123.00902	0.6
123.04502	1.2
125.02478	0.8
134.03780	0.6
135.04605	0.7
136.01672	1.8
137.02461	24.9
138.02751	1.1
145.02992	0.7
147.04591	0.7
151.04041	1.2
152.01172	75.9
153.01962	25.4
153.05563	1.1
154.02299	0.7
161.02495	0.7
163.03986	1.6
165.01970	1.5
179.03493	0.8
187.92247	0.5
191.05756	0.7
195.06694	0.9
225.04042	0.7
237.07689	3.8
237.11440	0.8
255.16034	2.8
281.06696	7.4
306.82620	0.5
315.07233	11.9
362.17661	0.6
391.10394	1.9
400.35257	0.6
435.09338	100.0
436.09659	12.2
436.15460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1089
Annotation	Inoscavin B
Peak:m/z	Relative Intensity
59.01382	1.7
70.17105	3.2
71.83668	1.6
73.40160	1.4
75.47684	1.2
141.62482	1.4
201.01929	1.6
264.04236	4.9
287.07193	1.8
289.05203	1.6
319.02524	1.9
320.03387	5.4
321.04068	7.2
332.03247	2.0
333.04083	25.4
333.07581	1.3
334.04547	4.5
335.05496	2.5
346.04889	6.5
347.05466	7.3
351.01535	3.1
359.01813	3.0
359.09381	3.7
361.07178	36.1
362.07416	5.1
365.04919	2.6
366.04416	2.4
375.08749	15.4
376.09390	8.6
417.09915	2.2
419.07678	1.9
420.08444	3.9
435.10876	100.0
436.11240	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	435.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.2
61.98829	0.8
69.43915	0.4
70.54609	0.8
71.01388	0.5
79.01338	0.4
81.03488	0.6
83.01367	0.5
85.02948	0.4
93.03470	10.2
95.05035	0.9
103.05572	0.5
107.04309	0.6
107.05035	9.4
108.05402	0.5
109.02961	18.2
112.68944	0.4
114.06573	0.4
117.03472	2.7
119.05051	1.8
121.02963	5.1
122.03755	8.2
123.04543	16.3
125.02457	1.5
131.05072	0.5
133.02950	3.3
135.00943	0.4
135.04523	0.4
137.02510	0.8
145.02969	8.1
146.03569	0.7
147.04526	4.1
149.02484	0.9
150.03242	3.1
151.04019	8.0
159.04527	1.6
161.02501	2.6
161.06107	0.6
162.03209	0.9
163.00465	0.6
163.03949	0.8
167.03464	1.3
175.04005	1.2
176.01225	1.1
177.01944	25.7
178.02292	1.1
179.03574	0.5
187.04016	2.2
188.04778	0.5
189.01952	53.2
190.02713	13.5
191.03517	10.5
192.03847	0.7
197.66985	0.5
203.03513	6.8
205.05141	0.5
209.84245	0.4
210.06918	0.5
211.07625	0.9
212.04651	0.5
216.00659	9.0
217.01437	35.0
218.02007	3.2
219.02992	14.3
227.07104	0.8
229.05116	0.9
229.08713	12.8
230.08986	1.1
231.02997	11.0
231.10329	1.4
232.03625	1.2
233.04631	1.1
241.05043	1.9
245.08139	0.5
253.04929	0.5
255.06575	1.2
269.04538	1.4
271.06152	2.4
272.06577	0.6
273.07709	10.4
274.08246	0.5
281.04614	1.9
283.06137	1.5
284.06503	0.5
289.07214	4.0
297.07669	1.2
311.05649	5.2
313.07159	0.6
323.05621	1.7
325.07159	0.5
341.06671	100.0
342.07050	9.7
435.11081	36.9
436.11404	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.9
59.01384	100.0
69.03468	24.5
71.01388	53.4
77.15774	2.3
83.01408	3.5
85.02966	7.1
86.29752	2.7
87.00871	2.8
89.02454	92.8
91.13071	2.3
95.01405	5.4
99.04524	4.3
101.02456	37.4
107.03529	2.6
113.02460	72.5
119.03521	53.3
131.03513	23.5
138.75761	2.8
143.03510	8.9
143.36375	2.5
149.04623	3.9
152.93639	2.5
155.03575	3.3
161.04527	10.7
179.05637	68.0
185.04572	3.0
204.05035	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	435.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34590	0.5
55.63607	0.4
57.03460	1.1
59.01393	3.8
60.01698	0.7
67.01911	0.6
68.99811	1.2
69.03452	1.6
71.01373	0.9
74.45388	0.5
81.03464	11.2
83.01385	4.2
85.02931	0.8
93.03465	5.1
95.01392	0.7
95.05031	11.1
97.02956	4.9
99.04514	6.2
107.04999	0.7
109.02992	0.7
111.04509	1.6
113.02401	0.9
119.05036	8.0
121.02962	1.6
121.06610	0.8
122.03773	1.1
123.04536	16.6
125.02455	23.2
126.02753	0.8
135.04517	1.7
137.02454	4.0
137.06093	13.1
138.06378	0.6
139.04042	3.3
141.05557	0.6
147.04550	1.5
149.02438	0.7
150.77164	0.5
151.00394	1.0
151.04053	1.3
153.05566	1.0
155.03476	0.8
155.10760	1.0
165.01967	1.3
165.05594	8.9
167.03510	51.3
168.03839	2.1
173.48679	0.5
179.03508	8.7
180.04028	0.7
181.05051	2.5
189.05542	4.9
191.03531	1.2
193.01437	0.8
193.05055	1.5
197.04590	3.4
206.02383	0.5
209.04553	15.6
221.04561	2.9
229.08870	0.5
231.06651	0.7
239.05696	1.2
271.09769	0.9
273.07709	9.1
285.07681	1.9
315.08765	100.0
316.09100	8.9
327.08792	2.0
345.09814	24.1
346.10144	2.3
357.09882	1.5
399.10999	0.6
417.11865	1.5
435.13101	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	435.13
Annotation	Phloridzin
Peak:m/z	Relative Intensity
53.70527	0.2
57.03449	1.6
57.88829	0.2
59.01382	2.4
61.98808	0.5
63.01164	0.2
65.00320	1.4
69.03483	0.3
69.23353	1.0
71.01387	0.6
75.82903	0.3
81.03458	11.6
82.03819	0.2
83.01381	4.8
93.03465	7.4
95.01402	0.5
95.05036	0.8
95.87682	0.2
97.02953	0.3
99.04512	0.3
107.01398	1.3
107.05024	0.2
108.02226	0.2
109.03006	0.3
111.04475	0.2
113.02502	0.2
119.05031	9.9
120.05430	0.2
121.02944	0.5
122.03760	0.3
123.04530	30.1
124.04852	1.1
125.02448	15.6
125.27243	0.2
126.02798	0.4
127.85704	0.2
133.03014	0.3
135.04536	1.5
137.02452	0.2
139.04030	0.2
147.04570	0.3
149.02443	2.4
150.30910	0.2
151.00398	3.0
163.03992	0.4
165.05502	0.4
166.02638	0.3
167.03497	81.9
168.03842	3.0
169.06619	0.4
177.01950	0.5
179.03500	8.5
180.03873	0.3
184.65225	0.2
187.07635	0.7
189.01958	0.4
189.05573	1.7
190.02670	0.3
191.03523	1.1
211.07579	0.5
217.01324	0.3
229.08723	1.0
255.06644	0.8
273.07684	100.0
274.08023	8.6
297.07654	0.8
312.68039	0.3
315.08658	0.2
341.06589	1.0
343.86493	0.2
352.44839	0.2
384.38727	0.2
400.78348	0.2
435.12750	0.8
435.22272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1302
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
56.72132	0.7
59.01387	16.1
61.98825	1.7
69.11781	0.7
71.01376	3.5
76.85736	0.8
85.02974	1.0
87.00864	2.0
87.99839	0.7
89.02447	2.8
93.03445	1.6
101.02448	2.5
107.05042	42.4
109.02916	1.5
113.02448	1.4
121.02965	17.8
122.03757	35.0
124.01583	1.2
135.04523	1.7
137.02420	2.1
150.03229	9.3
151.03918	2.4
152.01160	1.5
153.01938	0.8
154.02686	1.6
172.01619	0.8
182.02240	2.2
199.13486	1.4
209.06139	2.0
211.07597	3.2
227.07114	2.4
229.08710	63.2
230.09013	5.5
251.59715	0.8
255.06633	4.0
256.06967	0.9
256.09848	1.3
258.71606	0.8
272.06897	2.2
273.07706	40.1
274.07959	3.2
274.10620	1.2
315.08670	2.2
338.73993	0.9
338.92746	0.9
375.13495	1.1
435.12955	100.0
436.12860	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	435.1301
Annotation	Trilobatin
Peak:m/z	Relative Intensity
54.97150	0.4
57.03445	0.9
59.01374	1.8
65.00330	0.9
68.99799	0.5
71.01414	0.7
81.03462	16.3
82.03797	0.5
83.01384	5.2
85.02960	0.6
93.03465	5.8
95.01407	0.8
95.05032	0.8
97.02924	0.6
107.01373	0.8
107.05052	0.8
109.02979	0.7
109.59729	0.4
119.05038	18.7
120.05427	0.7
121.02940	0.9
122.03743	0.6
123.04536	32.1
124.01747	0.4
124.04884	1.1
125.02463	11.3
126.02774	0.6
135.04552	1.6
137.02440	1.4
139.03996	0.9
147.04539	0.7
149.02464	1.8
151.00381	2.5
151.04051	1.1
152.01149	0.6
155.44954	0.4
163.04019	1.6
165.05582	0.6
166.02756	1.3
167.03506	87.0
168.03802	3.8
168.04907	0.4
175.00427	1.2
179.03497	5.0
181.05109	3.1
187.07700	0.6
189.05551	2.8
191.03506	10.5
193.05191	0.6
203.03488	1.9
209.04558	4.7
221.04616	1.9
229.08641	2.3
233.04573	0.5
269.08023	0.4
273.07706	100.0
274.08051	8.1
297.07718	17.8
298.08145	1.7
315.08835	5.3
316.09293	0.8
327.08716	2.3
328.63126	0.4
339.08963	0.6
435.12845	4.3
436.13107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
59.01382	7.1
61.22783	0.5
61.98826	0.5
67.01912	0.6
69.03472	1.1
69.16341	2.7
71.01392	2.8
73.02963	0.6
81.03454	0.5
83.01393	5.2
85.06557	0.5
89.02445	2.4
93.03479	2.5
95.05054	0.5
97.06602	0.5
98.22635	1.0
101.02470	1.9
107.05042	2.1
108.02178	0.4
109.02953	4.9
113.02505	0.7
115.04008	0.5
115.07662	0.7
116.61945	0.5
119.05019	0.7
121.02903	0.5
123.04516	2.3
125.02460	10.1
126.02820	0.6
126.36263	0.5
134.03764	1.2
135.04538	36.5
136.04877	1.7
137.02455	100.0
138.02814	3.3
139.07547	0.4
147.04568	0.8
149.02477	1.0
151.02858	0.8
151.04016	10.5
161.02461	44.7
162.02811	2.3
163.03981	0.6
165.05609	0.6
175.03941	0.7
179.03540	1.6
191.03516	3.6
203.03523	1.2
221.04485	0.5
255.16046	4.8
273.07803	2.0
299.07748	10.2
300.08200	0.7
315.07907	0.8
341.06616	1.0
399.12820	0.9
422.31351	0.5
435.08405	0.6
435.13538	1.1
435.22226	6.7
447.92050	0.5
457.21021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
59.01387	5.5
59.75891	0.3
61.98825	0.7
71.01391	8.0
72.99312	0.4
73.02951	2.6
79.57310	0.3
83.01386	1.9
83.05052	0.4
85.02973	4.4
87.00868	0.7
89.02460	1.5
92.02717	1.1
93.03467	21.3
95.01392	0.9
95.05035	0.8
96.99323	0.6
97.02979	0.4
98.21803	0.7
99.00890	0.5
101.02449	7.3
108.02198	0.6
113.02461	4.0
121.02961	1.8
122.03744	1.7
123.04537	86.1
124.04844	2.5
133.01460	0.4
135.04556	0.8
136.01691	1.5
137.02458	49.9
138.02805	1.5
147.04570	0.9
151.04053	0.9
153.05588	70.2
154.05917	2.2
155.10747	0.7
161.04610	0.7
179.03539	0.4
221.04549	0.9
227.03188	0.4
229.08797	0.8
255.16029	0.5
281.06683	100.0
282.07016	6.9
289.57135	0.5
303.21753	8.1
315.10886	0.4
317.57297	0.4
375.20233	0.6
435.13138	5.7
435.22534	2.1
436.13171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39256	0.7
59.01386	39.6
59.28558	0.8
69.50011	0.6
69.54075	2.4
70.13906	0.7
71.01386	6.3
72.99319	1.1
73.02946	2.3
85.02950	1.6
87.00878	9.9
89.02451	3.2
96.04566	1.9
96.95988	0.7
99.00905	1.0
101.02448	2.6
103.00387	2.9
107.03790	1.3
108.03821	1.1
108.04568	21.8
112.98816	10.9
113.02477	1.3
119.03477	1.4
121.05346	1.1
122.06139	26.2
124.07695	55.6
125.08049	1.7
130.99928	1.6
136.07698	45.7
137.02493	0.8
137.08035	2.4
138.05646	1.6
145.05092	1.4
149.00951	2.3
149.07918	0.8
154.96553	0.6
155.10806	8.2
165.01956	1.0
168.06679	100.0
169.06978	4.2
175.54156	0.6
179.03456	1.4
180.06673	8.4
184.06218	0.9
187.17992	0.6
187.19611	0.9
191.05618	1.1
195.06754	0.8
199.09808	2.3
216.13881	1.2
225.07906	0.7
243.11259	1.3
255.16058	1.6
259.14462	1.3
303.13535	67.0
304.13831	7.3
370.37674	0.7
389.21857	2.1
417.20975	1.4
435.23029	13.7
436.22446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.5
61.98833	11.8
67.27753	0.5
71.01399	1.5
73.02991	0.6
79.05553	0.6
79.82421	0.5
89.02466	0.7
91.51743	0.5
93.03486	2.5
101.02470	0.8
103.17883	0.5
105.48553	0.6
106.04214	0.7
107.05042	50.5
108.05358	1.5
109.02950	3.3
119.04992	0.8
121.02969	24.0
122.03754	43.9
123.04023	0.8
123.04623	1.3
124.01654	1.7
125.02438	3.1
133.02934	0.7
135.04556	1.2
137.02499	1.5
145.02971	1.6
147.04515	0.9
149.02481	0.6
149.99611	1.0
150.03220	5.3
151.04027	3.4
153.01878	0.7
154.02727	1.4
158.03384	0.5
161.02542	0.6
162.02097	0.5
167.03517	1.1
168.00685	2.3
177.01991	3.4
182.02281	1.1
189.01978	3.8
190.02695	0.9
191.03596	0.8
211.07701	0.7
215.71880	0.5
216.00832	0.7
217.01483	1.9
219.03036	1.0
223.06084	0.7
227.07207	1.2
229.08707	65.7
230.09105	5.5
241.08757	1.1
255.06664	1.7
271.06247	1.0
273.07715	50.2
274.08084	4.6
281.04669	0.6
289.07248	0.7
297.07852	0.7
315.08664	2.8
341.06659	10.3
342.07214	1.6
417.08118	0.8
435.13062	100.0
436.13412	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.2
61.98840	5.9
65.91149	4.3
69.53571	13.3
69.53983	9.2
84.44233	4.6
85.00436	8.2
97.06624	8.1
116.39748	4.9
123.08180	7.2
237.14960	100.0
303.04535	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	435.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27232	1.2
59.01383	100.0
60.01731	1.6
62.11058	1.1
67.23013	1.1
69.03462	27.4
70.59357	1.2
71.01388	21.9
83.01393	2.0
85.02975	3.4
87.00878	1.2
89.02454	34.0
95.01405	1.5
97.25505	1.1
101.02460	12.7
113.02460	54.8
119.03519	14.1
131.03513	2.1
143.03477	3.0
149.04561	1.5
161.04573	4.4
179.05666	11.5
261.13477	2.2
435.22226	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	435.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25988	0.4
57.36308	0.4
59.01382	7.8
59.88095	0.5
61.52982	0.4
62.91637	0.4
66.36605	0.4
69.34917	2.1
71.01374	2.2
73.02951	3.1
85.02962	0.5
87.00912	0.7
89.02446	1.6
101.02449	1.5
103.89574	0.5
112.98815	0.6
113.02467	0.9
123.80448	0.5
128.43167	0.4
135.08160	1.2
137.09732	8.9
138.10187	0.5
155.10797	100.0
156.11119	4.1
171.56572	0.4
181.08708	1.4
195.74825	0.4
199.09778	28.6
200.10086	1.8
273.13397	0.6
285.20856	0.8
303.21802	14.5
303.25262	1.0
304.22208	1.3
435.18689	66.3
436.19046	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	435.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21436	14.8
59.01373	100.0
59.24738	15.0
61.98831	50.7
64.20947	18.8
69.60983	60.0
71.01387	38.9
73.07999	15.2
76.54770	15.6
89.02460	25.0
98.21889	28.7
99.00812	15.4
100.56754	17.2
101.02441	31.6
106.14764	17.1
132.98524	15.4
140.53409	16.9
315.15955	22.6
429.79520	17.2
435.26358	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	435.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38441	0.5
57.03461	0.6
59.01386	100.0
60.01721	1.7
61.98837	4.1
65.08978	0.6
71.01398	2.3
71.44518	0.6
73.02970	1.4
74.13895	0.5
78.98867	0.6
79.87161	0.5
85.03004	0.7
87.00916	0.6
89.02477	2.5
92.52972	0.5
101.02481	2.4
106.55979	0.6
111.04532	0.7
113.02484	1.7
119.03524	1.0
161.04587	1.1
189.74542	0.5
199.65581	0.6
263.20486	0.5
284.29504	0.5
288.38593	0.5
303.21832	3.7
403.15076	0.6
435.22369	1.7
440.97458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2241
Annotation	HC Toxin
Peak:m/z	Relative Intensity
50.70123	0.7
50.98848	0.8
51.64508	0.6
55.01852	1.0
55.36272	0.6
57.03442	1.1
57.53602	0.8
59.01385	59.0
65.03974	0.8
69.28007	1.8
69.28411	2.9
69.78926	0.8
71.01394	25.1
71.05016	1.0
72.99321	1.3
73.02950	2.5
81.03457	0.9
83.01391	2.4
83.05032	33.9
84.05334	1.5
85.02950	5.6
87.00903	1.7
89.02453	22.6
95.01413	1.8
97.02937	1.5
99.04527	1.1
101.02456	17.4
113.02463	8.6
115.04002	1.0
119.03517	8.9
125.09748	1.2
127.11267	1.3
133.03008	1.0
137.02490	0.7
143.03528	1.3
145.05103	1.2
155.10803	4.0
161.02515	0.9
161.04558	1.4
163.14905	3.6
179.05629	1.7
237.14879	1.2
255.16039	35.5
256.16339	2.6
273.17126	3.5
303.21756	13.2
304.22137	1.7
409.53668	0.9
414.97165	0.8
435.22391	100.0
436.22733	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	435.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03366	0.7
59.01384	54.4
61.77812	0.8
61.98830	4.5
62.36506	0.8
65.09199	0.8
70.55338	1.2
71.01375	2.9
72.01656	0.7
73.37589	0.7
85.02956	1.5
89.02425	2.3
101.02413	1.5
113.02430	4.2
119.03500	2.2
126.25681	0.7
178.22702	0.8
183.13905	7.7
195.13921	7.6
213.14972	100.0
214.15302	6.1
237.15004	1.2
252.77934	1.1
255.15959	1.3
301.20145	1.3
303.20792	2.5
373.07089	2.5
435.07190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.0
61.98834	100.0
67.70518	0.8
70.61134	1.4
71.01398	2.2
89.02447	0.9
90.21314	0.6
101.02444	1.0
108.02190	0.8
116.66080	0.8
122.03926	0.8
123.04587	0.8
125.02413	1.3
143.31578	0.8
161.02484	0.9
178.02747	1.6
189.88989	0.7
193.05080	6.4
209.80975	1.0
225.53690	0.8
368.10233	0.9
373.11520	0.9
436.51642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70668	0.5
52.05970	0.5
52.51857	0.5
59.01383	1.3
61.98835	100.0
69.64791	1.9
85.02967	0.5
94.91504	0.4
98.21931	0.8
104.26479	0.5
139.43787	0.5
153.46371	0.5
254.18997	0.5
304.83191	0.5
308.32562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99662	0.9
59.01126	1.2
59.01385	16.8
60.01712	1.8
60.04061	0.9
61.01789	1.4
61.98836	100.0
71.01373	4.7
78.91908	1.2
82.95422	2.3
89.02431	3.7
90.76638	1.1
93.03427	1.2
101.02442	3.3
113.02447	1.4
133.02948	1.1
135.04549	2.4
143.10768	2.7
160.23251	1.0
161.02477	1.5
179.03511	2.1
191.05589	1.1
199.42793	1.0
242.91608	1.0
267.06805	1.3
285.26569	1.0
364.37219	1.1
436.26227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74152	0.2
59.01386	1.3
61.98815	0.4
70.92910	0.3
71.01360	0.6
79.95747	18.3
80.96535	0.4
83.01378	0.5
85.02974	0.4
95.95259	1.1
96.96024	100.0
101.02475	0.5
110.97587	1.1
122.97579	1.6
127.29935	0.3
133.02971	0.5
134.03757	0.6
135.04562	0.5
138.73926	0.3
160.01669	0.6
161.04619	0.3
162.03221	0.2
177.02036	0.3
178.02678	0.3
237.14966	0.6
260.03668	0.5
291.18170	1.0
313.10898	0.7
320.60031	0.3
327.12186	0.3
340.07913	0.3
357.13416	0.6
407.08063	0.5
422.06799	0.8
423.07538	0.3
437.09149	61.2
438.09494	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	437.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36766	0.5
59.01381	7.3
66.42035	0.4
69.48647	1.7
71.01385	3.6
73.02934	0.7
85.02969	1.1
89.02455	2.4
98.22639	0.9
101.02448	1.8
105.03492	0.5
109.02966	0.9
111.00887	0.5
113.02465	1.8
117.03497	0.5
123.04537	0.8
125.02470	0.6
132.02164	1.6
133.02971	35.5
134.03326	0.9
135.04538	18.0
136.04878	1.3
137.02457	0.6
148.05284	0.6
149.06084	1.2
150.03235	0.8
151.04024	0.6
151.84081	0.5
161.02460	100.0
162.02803	4.1
175.04033	1.1
177.05589	2.9
179.03510	20.1
180.03867	1.0
189.05573	0.5
193.04982	0.6
195.06656	0.6
203.03516	14.1
204.03854	0.9
207.06615	0.6
221.04556	4.4
233.04533	3.0
251.05611	3.8
281.06689	4.7
305.15994	0.7
309.34488	0.5
311.14297	0.4
323.07690	1.3
341.08783	10.9
342.08783	0.5
346.69458	0.5
413.50897	0.4
437.10785	7.8
438.11032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90884	0.6
53.50223	0.8
57.03465	1.0
59.01382	16.5
61.98832	3.0
69.57875	1.9
71.01383	8.2
73.02947	1.2
85.02968	2.1
89.02448	4.9
101.02440	3.9
107.05045	1.3
109.02947	2.4
113.02444	3.1
123.04536	0.8
125.02404	1.1
132.02185	1.9
133.02968	31.7
134.03796	4.9
135.04538	58.9
136.04846	2.4
137.02509	2.9
146.02487	1.1
147.02829	1.3
148.05296	2.3
149.02576	0.9
149.06105	10.2
150.03171	1.2
151.04012	1.0
161.02455	100.0
162.02814	4.7
165.05548	1.2
175.04039	1.4
177.05579	22.8
178.02753	1.8
178.06020	0.7
179.03511	75.1
180.03862	4.2
189.05606	0.8
203.03548	7.1
207.06567	0.8
221.04562	34.9
222.04863	2.1
233.04596	2.7
251.05617	38.7
252.06024	1.2
281.06677	62.5
282.06982	4.1
290.07336	1.2
292.83920	0.6
323.07870	1.5
341.08795	11.7
342.09232	0.6
437.10547	3.8
460.06564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42949	0.7
56.78300	0.8
57.03450	2.2
58.00579	1.1
59.01385	40.1
69.03465	3.5
71.01388	23.5
72.24895	0.8
72.99294	0.8
73.02955	25.3
75.00887	1.6
83.01403	1.8
83.05019	5.1
83.59888	0.7
85.02962	7.9
87.00891	3.9
87.04536	0.7
89.02456	17.5
93.03477	2.2
95.01389	2.3
97.47607	0.7
98.22624	2.0
99.00886	0.9
99.04536	1.9
101.02454	100.0
102.02793	2.4
108.02213	0.7
109.02973	1.6
111.00892	1.0
111.04536	7.5
112.01691	1.5
113.02454	21.2
119.03511	7.2
123.04548	5.5
125.02471	1.6
131.03534	6.6
133.05038	1.7
135.04523	1.2
137.02423	3.9
139.03909	0.7
140.57899	0.7
141.05618	1.3
143.03548	2.1
144.03853	0.8
145.03061	1.1
155.03528	2.4
161.04599	4.7
167.03505	2.1
179.03511	1.5
179.05640	3.9
185.04538	1.3
239.05547	1.3
252.11975	0.7
275.07629	3.9
293.08817	48.0
294.09079	2.8
296.07880	0.8
317.08765	14.9
329.08740	1.5
347.09860	4.6
348.10022	0.8
434.26395	0.7
437.12726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1306
Annotation	Phlomiol
Peak:m/z	Relative Intensity
54.28278	1.4
55.01881	3.5
56.23506	1.3
57.03444	11.9
59.01387	49.8
69.03465	15.4
70.12112	2.1
70.12419	2.2
71.01388	100.0
71.05038	2.9
72.01736	1.7
72.99326	1.8
73.02954	20.0
75.00886	2.0
81.03445	2.3
83.00953	1.8
83.01381	9.0
83.05019	4.0
85.02956	36.9
87.00865	3.6
87.04523	8.4
89.02455	25.3
93.03483	2.9
95.01384	7.2
97.02958	7.8
99.00888	8.8
99.04549	2.6
101.02454	45.8
105.01949	1.6
109.02946	8.7
111.00883	3.4
111.04546	9.8
112.01688	4.0
113.02462	76.3
114.02766	1.5
115.04025	19.3
119.03513	10.9
123.04536	2.6
125.02445	13.6
127.04022	21.6
131.03513	59.3
139.04004	1.7
141.05600	1.8
143.03497	5.0
154.03600	1.6
155.03511	7.6
159.02972	2.0
161.04576	20.7
167.03497	3.2
173.04573	21.8
179.05623	16.5
180.01538	2.4
185.04521	1.9
197.02966	1.6
203.05574	1.8
221.06685	6.2
263.07773	3.9
275.04916	2.3
275.07742	69.6
276.08148	2.6
286.20062	1.8
293.08865	7.2
317.08627	2.2
347.09579	1.8
377.06238	2.2
437.13031	97.1
438.13605	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	437.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74975	1.0
57.03439	1.2
59.01382	40.5
59.76759	0.9
64.67095	0.8
69.08253	6.8
69.86615	0.8
71.01388	17.1
83.01392	1.3
84.42316	0.8
85.02954	4.2
89.02457	14.5
89.03976	1.2
93.98277	0.9
95.01381	1.6
101.02448	11.3
103.04028	1.9
109.02916	1.1
113.02456	6.5
117.03494	2.1
119.03517	4.3
131.03723	1.6
148.04065	1.3
158.02390	1.0
161.02443	2.6
166.76877	0.9
177.01855	1.0
178.40820	0.9
186.06892	1.6
189.01952	33.5
189.04187	1.9
190.02570	1.7
190.03276	1.2
190.05104	15.5
201.01947	7.2
213.05638	6.5
214.06180	1.7
215.03516	1.1
224.04681	1.5
225.05553	12.0
226.05797	0.9
227.03531	1.1
227.07100	1.7
229.04996	1.2
233.06163	1.0
241.05089	3.9
242.05858	44.1
243.06369	4.7
244.07487	4.5
257.08197	100.0
258.08511	6.8
259.06097	2.1
259.09909	1.3
273.07480	1.5
287.22321	0.9
308.14951	1.1
422.11981	2.0
437.14545	38.3
437.19803	1.3
438.14938	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	437.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86568	0.3
55.01878	0.7
57.03446	0.9
58.00584	0.4
59.01385	36.4
61.98829	0.5
69.30847	0.8
69.31250	1.4
71.01386	13.9
72.99330	0.8
73.02949	0.6
83.01392	1.0
85.02963	2.5
87.00878	0.6
89.01942	0.6
89.02454	9.7
89.66176	0.4
95.01379	1.5
96.00820	0.3
98.21825	0.7
99.00896	0.5
101.02460	7.4
113.02463	3.7
115.93074	0.4
117.03455	0.6
119.03511	3.0
119.53651	0.4
132.04558	1.7
146.76236	0.4
161.02438	1.3
161.04572	0.7
186.06880	1.1
187.07622	0.5
189.01958	10.7
190.02676	2.1
201.01997	2.2
213.05632	2.7
214.06351	0.7
224.04959	0.6
225.05574	6.5
226.06039	0.5
227.03572	0.6
227.07187	2.3
231.06560	0.8
241.05042	1.6
242.03894	0.5
242.05858	16.7
243.06619	21.1
244.07384	6.3
248.99176	0.4
257.08176	4.6
258.08551	0.5
259.06155	1.4
259.09793	5.2
260.06842	1.1
260.09921	0.4
261.07703	1.6
275.09381	0.9
330.86966	0.4
422.12183	3.5
437.14557	100.0
438.14938	11.2
438.21109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03445	0.7
57.34735	0.4
59.01387	34.0
61.98848	0.8
62.07478	0.3
71.01392	14.9
71.01792	0.8
73.02973	1.0
83.01395	0.9
85.02953	2.9
87.00892	0.6
88.38879	0.4
89.02452	10.5
95.01422	0.8
97.69505	0.4
99.00890	0.5
101.02453	7.9
113.02455	4.2
119.03519	2.8
125.09724	0.4
132.04561	1.5
135.04555	0.7
161.02449	2.4
161.04591	0.4
186.06891	1.4
187.07687	0.9
189.01944	10.8
190.02777	1.9
197.06065	0.7
199.04007	0.6
201.02011	2.5
205.01482	0.4
213.05585	2.4
214.06319	1.0
224.04698	0.8
225.05603	7.9
226.06157	0.9
227.03702	0.5
227.07127	2.0
231.06631	1.2
241.05138	2.4
242.03310	0.6
242.05856	16.9
243.06624	22.1
244.07312	8.0
245.07690	0.4
257.08218	5.3
259.06494	2.1
259.09747	5.4
260.06879	0.8
261.07678	2.0
275.09311	1.0
298.63483	0.4
305.22354	0.5
324.59961	0.5
377.22214	0.5
422.12271	3.3
437.14560	100.0
438.14935	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	437.1585
Annotation	Ugonin N
Peak:m/z	Relative Intensity
52.49297	5.7
57.03475	8.6
59.01379	80.5
61.98826	26.4
66.92532	5.7
69.55363	27.1
71.01398	54.3
73.02960	13.4
73.31197	6.4
83.01379	8.9
85.02959	20.1
89.02458	38.2
96.96993	10.4
100.93372	7.7
101.02428	41.8
101.06094	8.9
105.34265	6.2
108.02216	6.7
109.02961	14.8
113.02465	27.9
119.03497	17.4
125.02464	10.1
133.02997	33.8
135.04527	25.3
139.02222	14.7
149.04573	10.1
150.03200	7.2
151.07672	10.4
161.02470	87.7
161.04594	18.5
167.03519	12.4
172.98734	5.6
179.03467	20.0
179.05638	10.3
191.05667	12.9
203.03488	21.6
203.10767	25.9
221.11855	86.0
222.12186	8.4
231.06633	18.8
258.07733	7.2
275.05542	23.1
276.08847	17.1
293.08691	9.5
341.08606	7.4
341.29492	6.3
383.17148	11.7
393.14026	7.6
401.18036	8.8
437.15622	100.0
438.16315	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	437.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23763	2.2
59.01382	8.0
61.98830	5.9
65.28678	2.3
69.10813	6.2
69.11228	9.5
73.37839	2.2
77.04742	2.2
79.95744	19.2
89.02438	2.9
96.96020	100.0
101.02481	5.1
110.97599	2.5
113.02377	3.5
173.45412	2.4
246.86389	2.9
251.03445	2.3
343.70038	2.4
437.02765	3.6
437.09067	69.8
438.09360	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	438.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77102	0.7
57.20437	0.7
59.01391	5.7
61.98834	100.0
69.60232	3.0
71.01376	3.8
73.02959	1.1
74.02466	0.7
78.95906	6.1
83.25069	0.8
85.02960	1.4
89.02449	3.2
95.19012	0.7
96.96040	5.2
96.96960	11.2
99.00905	0.9
101.02448	2.4
105.01962	0.9
106.56535	0.9
113.02467	2.8
116.23936	0.8
118.96635	2.4
119.05014	2.4
123.04515	0.9
125.02438	1.9
131.03477	0.8
132.98178	1.4
134.04735	0.9
135.04585	0.9
156.98248	2.0
161.02492	0.9
161.04579	0.8
162.02263	1.5
163.02689	0.7
163.03947	1.5
198.49883	0.8
215.07050	0.9
217.00296	2.6
227.04030	0.9
229.00278	1.4
234.99359	0.9
236.84988	0.7
259.01346	1.5
262.35565	0.8
277.00229	0.9
409.95084	0.7
439.13837	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	438.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79216	3.8
59.01384	100.0
69.48418	18.7
69.50526	3.4
71.01389	74.5
73.02952	12.4
83.01408	4.2
85.02956	12.5
87.00861	5.2
89.02451	88.2
97.02971	9.3
97.77900	3.7
100.79765	3.9
101.02452	28.9
101.06088	63.9
105.78631	3.7
113.02465	12.8
119.03517	6.3
125.02435	19.5
129.05653	4.0
131.03528	35.3
148.29918	3.7
149.04555	46.6
161.02423	11.6
180.37253	3.6
191.05626	13.6
293.08835	78.6
395.15582	4.7
457.43857	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	438.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41864	0.8
59.01383	6.3
61.98838	100.0
64.44784	0.9
69.12715	1.9
69.13116	4.9
71.01392	6.1
73.02938	1.4
74.02525	1.3
77.81052	0.9
87.00891	1.0
89.02464	0.9
96.96027	6.1
112.98789	1.0
113.02483	1.4
121.97498	0.8
134.03745	1.1
135.04460	1.0
201.42708	0.8
258.08615	1.0
438.25085	1.1
439.10638	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	438.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
61.98832	100.0
71.94053	1.0
96.96033	2.2
110.03252	1.0
125.02460	1.0
145.09431	1.0
149.02437	2.0
168.72499	1.0
260.06552	1.3
276.09653	1.7
313.10583	1.2
314.11481	1.0
438.09348	1.1
438.15009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
69.82488	0.4
69.82854	0.4
71.01385	0.5
72.99332	0.2
78.95909	42.3
89.02448	0.4
96.96088	2.8
96.96967	100.0
97.50833	0.2
98.22511	0.3
105.01942	0.2
113.02495	0.2
143.56503	0.2
144.58849	0.2
145.06180	0.4
146.93614	0.2
318.72595	0.2
334.89655	0.2
341.10828	0.6
439.08508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37492	0.4
59.01380	4.8
60.37736	0.4
61.59196	0.5
64.20020	0.5
71.01383	2.9
78.95911	46.8
87.00877	0.6
89.02449	2.9
96.96074	6.2
96.96969	100.0
101.02448	1.0
103.00391	1.0
113.02441	1.2
119.03513	1.2
119.05050	1.2
145.06187	1.2
163.02507	1.8
163.04028	1.9
179.05609	1.3
199.99252	0.4
341.10907	3.5
402.88031	0.5
411.99887	0.4
439.07993	0.8
439.13071	0.8
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
50.43651	0.4
54.56479	0.4
59.01387	2.0
61.98820	0.5
71.01402	2.1
71.44117	0.4
73.02954	0.4
75.78654	0.4
78.95813	0.4
79.95746	12.0
80.96536	0.6
85.02960	0.5
93.45980	0.4
95.95244	2.2
96.96017	100.0
101.02415	0.7
110.97591	12.5
113.58204	0.4
121.02984	0.6
122.97558	0.5
130.08751	0.8
132.31711	0.5
134.03722	0.4
177.12907	1.2
180.07951	0.7
221.08104	0.4
223.09761	0.7
228.97374	0.5
260.03668	1.5
267.62015	0.4
269.08209	2.4
275.82080	0.4
281.08337	0.8
283.09979	0.5
299.09216	2.3
310.12152	0.5
311.09180	1.3
314.11642	6.6
315.12146	1.1
319.16714	0.8
326.11603	2.3
329.13971	4.4
330.14276	0.5
341.13913	0.9
351.62369	0.4
359.14771	0.5
374.63031	0.5
394.07343	2.8
406.07504	0.6
409.09644	9.8
410.10013	0.7
421.09549	2.1
439.10690	67.5
440.10974	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	439.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05117	0.3
59.94711	0.3
69.65903	1.2
79.95749	11.0
80.96519	0.5
88.28412	0.3
95.95250	2.5
96.96021	100.0
110.97591	11.6
112.66095	0.3
121.02886	0.4
122.97574	0.6
123.98426	0.4
223.09712	0.6
240.04201	0.4
259.02673	0.3
260.03574	0.8
269.08224	2.9
273.04337	0.4
277.64059	0.3
281.08118	0.6
283.09720	0.7
299.09195	1.9
300.09772	0.4
310.11893	0.4
311.09274	1.1
313.10938	0.6
314.11624	7.8
315.12296	1.5
326.11594	2.3
329.13947	3.7
341.13821	0.9
394.07321	3.6
395.07745	0.5
409.09656	10.0
410.09869	1.2
421.09543	1.5
439.10693	56.1
440.11026	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	439.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21891	4.4
53.93475	4.2
59.01386	55.1
67.23103	3.8
71.41111	5.4
72.99310	19.0
75.19421	4.1
94.65166	4.1
101.02424	7.7
103.00388	42.4
106.29870	4.1
130.99870	7.3
145.01411	22.8
145.06230	8.0
163.02510	100.0
207.69427	4.1
278.45221	4.9
329.28729	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	439.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
57.03452	5.5
59.01384	100.0
65.09563	2.2
69.03461	12.1
69.14708	9.9
69.85947	1.8
71.01385	41.1
72.99313	19.5
73.02950	6.6
74.04862	2.2
75.00481	3.9
75.00880	54.2
78.95918	7.4
83.01419	3.4
84.63352	2.0
85.02959	17.2
87.00890	17.8
89.02450	24.8
93.03503	3.1
95.01405	4.7
95.05009	2.9
96.96021	14.7
96.96962	15.0
99.00925	3.5
101.02445	29.7
103.00390	29.0
104.03558	2.5
107.05034	2.6
108.93768	2.3
109.02963	6.5
111.04543	4.2
112.98817	21.7
113.02467	30.0
118.96651	3.8
119.03522	12.5
119.05054	8.5
121.02969	3.1
123.04561	4.1
125.02470	15.6
125.06089	2.2
130.99904	7.1
131.03529	11.6
132.98219	3.2
133.05063	4.8
133.06688	1.8
135.04507	3.6
137.02449	4.8
145.01437	12.7
149.02463	2.6
151.03996	3.3
153.01939	2.7
156.98199	3.1
163.02531	62.8
163.03998	10.3
165.01926	2.2
165.05542	2.7
167.03517	2.5
173.06058	2.3
179.03511	4.1
179.05705	2.7
195.06480	2.6
217.00400	4.1
224.96304	5.2
226.94313	12.6
234.99222	7.0
250.98911	2.4
275.07748	55.4
276.08075	3.9
277.00269	4.5
285.86954	1.9
289.06937	2.4
293.08810	86.0
294.09152	4.6
307.10446	3.9
349.07678	2.8
351.09357	18.6
352.10123	2.2
360.97919	2.7
372.74490	2.0
378.99069	2.2
379.03534	7.4
389.07578	3.1
401.56644	2.0
407.08112	3.0
439.11563	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	439.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
69.50842	2.7
96.96037	0.9
98.21798	0.6
112.90423	0.7
131.34428	0.6
140.70273	0.7
166.36359	0.6
176.03523	0.8
204.02975	1.6
205.03746	1.1
219.05383	1.3
240.76584	0.6
245.03255	1.5
265.06216	0.7
266.06924	1.3
269.04764	1.1
271.03632	10.2
272.04071	0.8
277.06192	1.5
278.07007	2.5
279.03867	0.7
280.04800	1.4
293.05762	2.6
294.06555	4.3
295.04608	1.1
297.08688	0.7
305.05685	2.7
310.05899	1.5
311.60654	0.6
321.05191	2.8
322.05939	9.7
323.06326	0.8
325.08203	1.9
333.05157	7.4
334.05887	7.5
335.06332	1.0
337.04681	1.0
337.08279	6.6
338.05380	4.4
347.06909	1.1
348.07489	1.9
349.04401	1.3
350.05542	0.8
353.07819	7.5
354.04703	1.2
376.06967	2.3
377.03754	1.2
377.08014	2.0
379.50388	0.6
381.07300	56.2
382.07574	5.4
386.77277	0.7
391.05713	7.3
392.06470	39.3
393.06985	5.3
396.09448	1.2
406.08054	11.0
407.08820	42.1
408.09232	5.1
409.06750	11.6
410.06888	1.5
422.10709	2.2
423.08560	1.1
424.09134	66.7
425.09445	6.3
434.41553	0.8
439.11453	100.0
440.11853	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	439.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75243	1.7
60.32310	1.5
60.49775	1.7
62.28461	1.5
69.20848	9.4
70.78310	1.6
77.23134	1.5
81.92021	1.8
88.76574	1.6
104.16152	1.6
118.03025	1.9
123.92462	1.6
130.02968	4.6
146.02481	4.3
149.01173	4.5
150.44006	1.7
159.03236	1.9
161.01250	3.1
164.03528	19.2
174.01994	3.8
176.03542	68.4
177.03969	2.3
189.04340	82.4
190.04738	3.2
191.02287	9.1
192.03070	3.6
197.16209	1.7
203.79916	1.9
204.03027	93.7
204.06662	44.4
205.03795	46.3
205.06834	3.2
206.04143	1.9
219.01804	5.0
219.05437	3.8
220.02530	33.8
221.02818	1.9
234.04129	15.5
235.04575	3.1
260.06961	2.7
294.02200	1.8
357.26364	2.2
393.07294	13.6
394.07730	1.9
403.22885	1.8
424.09216	19.4
439.11481	100.0
440.11884	13.7
459.53372	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1249
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
57.47072	0.9
59.01387	40.1
61.98816	2.0
69.03463	9.2
69.58052	1.9
69.58441	2.3
71.01389	24.0
72.99275	1.2
73.02948	1.2
78.95898	2.2
83.01413	2.0
83.05042	2.5
85.02955	5.1
87.00806	1.3
89.02452	17.4
89.02957	1.8
93.03445	6.1
95.01398	4.0
96.96030	8.5
96.96976	3.5
98.22671	1.3
99.00911	1.1
101.02460	15.0
103.04052	1.8
109.02942	1.4
113.02466	13.3
115.00385	6.1
117.03461	1.5
119.03549	7.0
119.05036	93.7
120.05392	3.9
121.02995	1.7
131.03548	1.1
133.02985	1.7
133.06638	1.1
135.04550	2.3
137.02446	1.7
140.70192	1.0
143.05025	1.2
145.02953	11.5
145.06610	4.3
147.04559	2.1
156.05777	3.4
159.08182	2.2
161.04565	1.3
163.04030	100.0
164.04376	4.1
164.07224	4.9
169.06615	3.8
171.08154	9.8
173.06129	2.2
179.03532	2.8
179.05539	1.2
191.00352	1.3
191.05717	1.9
193.01778	1.2
209.89250	1.2
215.07146	14.2
234.99255	6.4
259.06076	1.7
277.00302	4.5
277.07172	1.2
284.71078	1.1
285.18420	1.0
293.08777	2.8
379.03531	4.7
402.98706	1.2
439.12512	92.4
440.12860	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	439.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52882	0.6
57.03445	1.0
59.01386	28.6
61.98832	1.3
64.01515	0.6
69.73824	0.6
71.01392	3.8
72.99289	1.3
73.02962	1.3
78.95917	12.3
79.95313	0.8
79.95751	2.5
82.90593	0.5
83.01404	0.6
84.99335	1.6
85.02964	1.2
87.00882	16.3
89.02445	2.0
93.03477	1.5
95.07382	0.5
96.96020	20.3
96.96936	3.3
97.06602	6.8
97.89923	0.5
101.02431	3.8
103.00379	8.8
105.03450	0.9
110.97595	2.2
112.98822	21.1
113.02444	1.1
119.03542	0.9
133.02968	6.7
134.03757	100.0
135.04594	10.0
137.02469	2.4
139.04021	1.2
149.04582	0.9
161.02463	3.9
161.04616	1.6
165.68431	0.6
177.01944	6.8
178.02734	20.3
179.03438	2.6
180.03964	0.5
189.04282	0.7
190.05128	3.9
191.05566	3.5
198.23767	0.6
203.14409	0.9
231.10332	4.7
269.08292	0.9
275.09290	11.1
276.09656	1.1
307.11902	78.8
308.12161	5.1
314.11649	1.5
335.09741	0.7
357.08990	5.4
379.23364	4.0
409.09735	2.6
439.10501	12.7
439.23199	0.8
440.11002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	31.1
61.98829	3.2
69.28506	5.9
71.01394	2.9
72.99306	1.5
74.02467	3.0
84.99336	1.2
87.00883	17.9
89.02483	1.2
93.03483	1.9
96.96024	3.4
97.06604	3.7
103.00393	15.6
112.98816	24.6
113.02475	1.6
115.92131	1.2
121.02956	1.4
127.08391	1.2
130.08752	6.6
130.99867	3.4
133.02963	17.3
134.03760	65.5
135.04582	10.9
137.02444	9.1
139.04018	3.5
149.02408	1.4
150.03212	1.5
150.55618	1.1
161.02513	2.0
161.90674	1.2
162.03218	1.5
163.02571	1.5
175.04063	1.3
175.10815	1.0
177.00468	2.1
177.01955	32.2
177.03513	1.8
178.02733	100.0
179.03433	9.0
193.05077	2.0
193.98697	1.0
195.92848	1.1
231.10278	8.0
250.05084	2.0
275.09259	37.4
275.12262	1.9
276.09583	3.1
277.15591	1.8
304.62051	1.2
307.11929	16.2
319.16592	7.0
323.15976	1.3
439.11154	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70934	0.6
55.33791	0.6
57.03439	2.2
59.01387	27.8
61.98841	1.7
63.38055	0.6
66.07581	0.5
69.03457	0.7
69.71610	1.4
69.71999	1.4
71.01389	21.4
71.05029	22.2
72.19426	0.6
73.02956	1.3
75.00884	0.7
78.95885	0.8
79.40908	0.6
83.01408	1.8
85.02963	5.1
87.00876	6.2
89.02457	22.7
91.13160	0.6
95.01397	1.7
95.05037	3.3
96.96032	2.2
96.96963	2.1
97.02960	7.6
98.21935	1.2
101.02452	9.5
111.04529	1.0
113.02475	9.5
113.06104	1.5
115.04031	100.0
116.04358	1.9
118.96658	2.0
119.03526	7.4
125.06090	0.6
131.03561	1.7
132.98242	0.7
135.04475	0.7
139.04033	4.8
143.03545	3.2
147.04538	2.0
147.42622	0.6
156.98245	2.1
158.51347	0.6
161.04588	4.7
163.03996	0.7
164.07159	2.8
179.05630	12.3
199.06119	0.7
217.00372	1.8
234.99341	1.4
259.01563	1.0
277.00272	0.7
323.09882	2.0
341.10925	27.8
342.11343	1.6
379.03586	1.5
436.93292	0.7
439.13474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	1.0
59.01389	8.5
65.95107	0.7
69.79767	1.3
69.80120	1.9
71.01376	5.7
72.00877	1.1
72.99320	1.0
74.02473	2.0
76.76286	0.7
78.95903	21.9
79.64333	0.8
82.02963	1.0
84.04543	4.2
88.35900	0.8
89.02444	6.1
89.42538	0.9
96.95992	2.6
96.96964	48.4
101.02458	2.0
101.07210	2.3
105.01948	1.5
108.20522	0.7
109.04095	7.2
113.02451	2.8
119.03500	1.9
125.03596	2.0
127.04226	1.6
127.05142	20.5
128.03543	7.2
145.06200	100.0
146.06544	1.9
179.05603	2.6
217.00185	0.8
293.08728	1.9
341.10947	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.7
59.01387	18.5
60.40552	1.0
63.69230	0.9
69.16282	5.2
71.01397	10.7
73.02951	2.2
75.00883	1.5
82.54362	0.9
83.01365	1.6
85.02946	2.8
85.06596	5.4
85.30025	1.1
86.81265	0.9
89.02438	5.4
93.03477	2.7
99.00874	1.2
101.02451	5.6
109.02998	1.5
113.02444	4.5
115.04052	1.2
119.05018	1.9
121.03007	4.6
122.03770	8.8
123.04522	1.4
125.02483	6.4
131.03503	3.5
133.02924	2.0
137.02444	7.0
149.02446	24.7
149.04483	1.5
150.03244	55.5
151.03828	3.1
160.18288	1.0
161.02504	1.6
161.04619	3.8
162.03235	4.1
163.04002	3.4
164.04752	6.4
165.01936	30.5
165.05582	58.4
166.02415	1.0
166.05931	1.5
177.05582	8.4
180.04317	22.9
181.04938	1.2
189.07657	1.6
195.06638	100.0
196.07021	5.2
201.25620	1.0
243.08775	3.5
247.11845	4.4
289.07156	1.6
301.07166	3.0
316.09525	1.6
321.11896	0.9
331.11908	12.6
378.38422	0.9
379.16132	26.0
380.16364	2.6
391.14050	13.1
392.14554	2.2
439.17126	4.5
464.63611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.7
63.45998	0.6
69.03463	0.5
69.32232	2.0
69.32645	1.0
71.01375	3.1
71.02707	0.5
72.99319	0.6
75.65625	0.5
78.17171	0.5
87.00900	0.7
89.02468	1.5
89.03951	0.9
96.78484	0.6
101.02436	1.8
105.19732	0.6
113.02441	1.1
117.03462	2.5
118.04301	2.6
119.03514	0.7
119.05035	7.8
125.02432	0.6
131.05006	0.7
134.03729	1.0
135.04498	0.7
145.02962	0.6
161.02467	4.7
161.04553	1.4
162.03224	1.5
163.04012	9.3
175.03975	0.6
176.01170	1.3
188.20566	0.7
189.01935	14.5
190.02724	20.2
190.99921	0.9
191.03502	4.5
192.00696	1.2
201.09250	0.6
203.03513	42.8
204.03928	2.7
205.01392	0.9
213.05614	1.3
217.04958	1.0
218.05827	0.8
222.01701	2.6
227.07277	1.2
228.07903	1.9
229.05310	0.9
229.08720	8.6
231.06683	3.0
244.07500	1.3
245.08206	20.4
246.08519	1.1
260.06757	0.6
261.07669	11.6
262.08374	3.8
263.09244	29.6
264.09561	2.6
277.10889	1.0
291.08752	4.6
292.25427	0.6
305.10327	2.0
364.38309	0.6
383.04086	0.6
424.13739	6.4
439.16104	100.0
440.10858	0.9
440.16479	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	439.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10700	1.1
54.36697	1.1
55.01882	2.7
57.03458	2.2
59.01387	42.0
61.98827	3.3
69.03470	1.8
71.01395	36.8
71.40871	1.2
72.99334	1.9
73.02956	13.8
75.00877	1.6
83.01389	6.2
85.02965	25.4
87.00890	18.4
89.02451	16.9
91.21828	1.2
93.03453	5.9
95.01423	1.2
99.00876	5.5
99.08207	1.4
101.02455	29.3
109.02985	3.3
111.00899	5.2
112.98861	1.2
113.02476	11.5
119.03524	1.7
119.05034	2.4
121.02976	64.2
125.02444	2.2
127.04020	3.6
129.01967	1.4
131.03500	9.2
132.04555	4.3
143.03471	1.5
145.02975	1.5
145.08675	6.6
147.04570	2.2
148.04065	66.1
148.35913	1.2
149.00955	10.4
149.04590	5.0
159.03085	1.8
159.04541	2.3
161.04576	9.8
163.04074	3.1
173.04547	1.8
174.03293	2.1
175.04001	8.2
179.05632	1.1
187.07687	6.1
189.01941	3.1
190.05144	7.3
191.05638	100.0
192.05936	3.4
202.06372	9.6
213.09244	4.2
217.14444	5.5
218.04568	1.1
231.10289	23.4
232.10603	2.4
233.06618	3.6
241.14421	2.4
275.09387	6.2
307.17682	27.9
308.18002	1.5
310.09381	24.7
352.10446	2.2
354.06381	2.0
403.19702	9.7
407.09909	2.4
439.17459	34.2
439.22095	25.6
440.11850	4.5
440.17902	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	439.1743
Annotation	Sophoraflavanone D
Peak:m/z	Relative Intensity
53.39314	12.0
59.01380	46.2
61.26250	11.9
70.70907	24.7
71.01393	38.9
79.49577	11.1
83.01394	15.1
85.02980	17.5
87.00867	11.9
89.02449	23.1
101.02460	32.5
109.02989	21.9
123.00880	20.5
123.04604	13.4
125.02477	75.8
135.04602	14.5
144.75856	12.8
147.75949	12.3
149.02249	13.4
151.04062	17.3
161.02444	43.6
163.04106	17.2
165.29807	14.1
289.07144	18.5
307.17789	16.7
398.66406	16.1
423.98184	14.9
439.17242	100.0
439.21997	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	439.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.1
57.03440	3.2
59.01387	87.6
61.98829	2.5
69.03465	2.8
69.45902	1.9
69.46294	3.7
71.01391	75.9
71.05025	0.9
72.01709	1.0
72.99307	3.1
73.02956	28.0
73.52406	0.9
75.00886	1.1
81.03452	1.5
81.74008	1.0
83.01402	10.2
85.02959	29.9
87.00836	5.4
89.02460	34.4
95.01388	3.9
97.02963	4.3
99.00897	15.1
99.04476	1.0
101.02457	58.4
102.02775	1.2
105.01954	2.2
105.42706	1.0
106.24708	1.0
111.00885	4.9
113.01722	1.6
113.02464	27.0
114.02875	1.0
115.04022	4.8
119.03518	1.9
125.02480	7.6
129.01936	1.6
131.03520	9.9
135.04541	2.5
143.03545	5.2
145.02925	2.1
145.06343	1.0
145.12349	3.4
149.00917	3.2
149.04547	10.5
156.47218	1.3
159.02988	6.6
161.04579	31.9
161.94267	0.9
163.81451	1.2
179.03500	1.3
179.33406	1.0
190.05067	1.8
190.99857	1.2
191.05553	6.6
215.07288	1.3
228.06915	1.2
231.10278	1.4
233.06718	10.2
253.49971	1.2
265.05035	1.1
293.08731	5.0
307.17667	36.4
308.17972	1.7
320.95068	1.1
379.23392	11.6
439.21893	100.0
440.22263	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	439.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23308	0.8
55.01884	8.0
55.90219	0.7
57.03455	5.1
58.00607	1.2
59.01387	100.0
61.98814	1.2
67.82724	0.7
69.03463	3.8
69.87090	0.8
71.01391	87.6
71.43459	0.8
72.01740	1.2
72.99313	3.8
73.02959	29.3
73.03374	1.5
75.00907	1.5
81.03498	1.4
83.01402	16.5
85.02962	36.4
86.00103	0.9
87.00890	6.8
89.02454	49.8
93.03494	1.9
95.01427	3.5
97.02964	3.8
99.00885	9.8
99.08138	0.8
100.91164	0.9
101.02457	76.4
102.02801	1.1
109.02971	1.2
111.00905	9.8
111.04564	0.9
112.01187	0.8
113.02470	25.0
113.03264	1.4
115.04060	2.4
119.03539	3.7
119.05090	0.9
121.02972	11.6
125.02455	5.6
127.04093	1.0
129.01981	2.3
131.03523	27.1
132.04576	52.3
135.04567	1.5
137.02502	1.1
143.03525	4.5
145.08740	1.9
145.12387	1.4
148.04051	8.9
149.00943	3.5
149.04575	15.6
159.03058	5.6
159.04463	1.7
161.02548	1.6
161.04578	21.2
163.04048	1.5
175.04031	2.7
179.03622	1.4
187.07677	2.0
189.01984	0.9
190.05138	2.5
191.05632	26.0
192.05962	0.9
202.06430	2.5
213.09219	1.3
215.05624	1.4
215.12897	1.2
230.28186	0.9
231.10272	5.9
233.06636	5.6
244.61940	0.9
271.80853	0.8
275.09363	4.1
289.16684	2.1
293.09061	1.8
307.17654	92.1
308.18024	7.0
310.09512	3.7
352.10562	0.8
439.22055	76.3
440.22195	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	439.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23308	0.8
55.01884	8.0
55.90219	0.7
57.03455	5.1
58.00607	1.2
59.01387	100.0
61.98814	1.2
67.82724	0.7
69.03463	3.8
69.87090	0.8
71.01391	87.6
71.43459	0.8
72.01740	1.2
72.99313	3.8
73.02959	29.3
73.03374	1.5
75.00907	1.5
81.03498	1.4
83.01402	16.5
85.02962	36.4
86.00103	0.9
87.00890	6.8
89.02454	49.8
93.03494	1.9
95.01427	3.5
97.02964	3.8
99.00885	9.8
99.08138	0.8
100.91164	0.9
101.02457	76.4
102.02801	1.1
109.02971	1.2
111.00905	9.8
111.04564	0.9
112.01187	0.8
113.02470	25.0
113.03264	1.4
115.04060	2.4
119.03539	3.7
119.05090	0.9
121.02972	11.6
125.02455	5.6
127.04093	1.0
129.01981	2.3
131.03523	27.1
132.04576	52.3
135.04567	1.5
137.02502	1.1
143.03525	4.5
145.08740	1.9
145.12387	1.4
148.04051	8.9
149.00943	3.5
149.04575	15.6
159.03058	5.6
159.04463	1.7
161.02548	1.6
161.04578	21.2
163.04048	1.5
175.04031	2.7
179.03622	1.4
187.07677	2.0
189.01984	0.9
190.05138	2.5
191.05632	26.0
192.05962	0.9
202.06430	2.5
213.09219	1.3
215.05624	1.4
215.12897	1.2
230.28186	0.9
231.10272	5.9
233.06636	5.6
244.61940	0.9
271.80853	0.8
275.09363	4.1
289.16684	2.1
293.09061	1.8
307.17654	92.1
308.18024	7.0
310.09512	3.7
352.10562	0.8
439.22055	76.3
440.22195	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	439.247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73429	14.1
58.71149	15.5
63.22466	15.0
69.10590	100.0
96.96002	25.8
98.51418	16.7
117.60841	12.9
167.04965	13.1
171.38031	16.8
203.98299	15.4
210.72656	15.7
249.86902	13.8
302.96402	14.1
371.84418	16.5
439.10977	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	439.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.8
61.98844	14.3
69.19838	54.5
74.61630	8.4
74.89583	9.2
80.21512	8.9
96.96024	10.5
123.77554	9.7
161.02477	16.0
163.01187	11.0
183.38637	9.8
201.01941	100.0
203.03500	20.2
204.48048	11.4
243.06688	11.5
260.06921	35.2
261.07748	70.8
276.21613	12.5
283.92334	10.3
314.74438	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	439.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
59.86510	1.1
71.01389	17.5
71.43344	1.5
72.99323	1.4
73.02972	5.8
75.78450	1.0
81.81799	1.1
83.01411	2.7
85.02973	8.3
87.00900	1.7
89.02444	3.4
95.01420	0.9
99.00872	3.0
101.02466	14.4
105.01961	1.2
105.03445	1.5
107.62208	1.2
111.00870	1.7
113.02480	5.9
115.00366	1.0
127.55157	1.0
129.01930	1.1
133.01416	2.2
133.02975	6.7
135.04529	3.5
140.18413	0.9
143.03476	1.2
149.01039	1.2
159.03088	1.2
161.02490	14.9
161.04568	7.9
161.09801	1.0
177.01962	15.2
179.03532	6.6
269.31906	1.3
307.17462	1.3
379.23407	53.6
380.23730	4.2
439.12479	2.2
439.22375	2.1
445.85547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03446	2.8
59.01385	100.0
61.98837	11.7
69.55303	3.1
69.55682	2.5
71.01390	37.5
72.99297	1.8
73.02956	9.0
75.00896	1.5
79.95734	2.8
81.03460	1.6
83.01377	4.8
83.05006	2.5
84.04558	1.8
85.02949	9.8
87.00883	4.6
89.02441	13.8
89.03902	1.4
93.03475	3.1
95.01381	1.8
97.02979	1.3
99.00903	3.5
101.02456	24.5
105.01935	13.4
105.03467	2.2
109.01720	1.8
111.00867	2.0
113.02453	11.3
114.05609	7.1
115.00368	1.9
119.03515	3.6
125.02428	3.1
127.05141	8.2
128.03522	2.9
129.10358	4.0
131.03491	1.7
133.02985	8.9
134.03772	2.4
135.04544	39.2
136.04842	1.8
137.02460	4.8
144.79549	1.6
145.06175	5.8
149.00912	3.8
149.02466	2.6
149.04567	1.7
150.03235	4.5
159.02911	1.6
161.04582	12.4
165.01984	2.2
165.04097	2.0
165.05537	4.4
177.01947	79.9
178.02313	3.2
179.02040	2.5
179.03497	34.5
180.04153	2.4
189.12746	1.7
191.05589	2.1
191.10815	2.1
195.06604	7.4
229.08685	2.9
244.06570	1.6
259.08713	2.3
289.15408	1.5
293.16116	2.6
307.16660	9.9
333.14517	2.8
351.15634	3.9
379.23407	38.8
380.23810	4.8
404.59619	1.8
439.10797	3.1
439.16724	5.4
439.22592	7.4
439.29068	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06396	2.2
58.00587	3.8
59.01385	26.3
69.24115	6.2
69.24521	7.4
71.01378	23.6
73.02950	11.8
74.39798	2.1
75.00879	7.7
75.94625	2.1
83.01331	2.4
85.02959	6.5
86.71764	2.2
89.02467	7.2
91.85209	2.4
95.01424	2.6
97.06691	2.1
98.22646	5.2
101.02454	6.8
113.02474	13.7
116.49629	2.1
139.97678	2.2
143.80540	2.6
161.94598	2.3
186.21169	2.2
192.95947	2.5
227.41676	2.5
242.41362	2.3
244.46991	2.3
273.22290	8.2
277.21765	100.0
278.22134	7.7
291.23267	32.1
301.21576	5.4
319.22797	19.6
331.22702	10.1
349.23758	4.2
366.45807	2.1
408.25882	2.3
445.92743	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	439.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.3
70.69563	12.6
71.01385	31.8
74.31049	7.2
85.02971	7.5
95.01472	7.9
95.73307	7.9
101.02502	7.9
101.22126	7.0
113.02471	16.0
144.66751	6.9
211.12593	8.9
211.29938	6.7
217.00266	10.2
273.22192	9.4
275.10495	7.8
277.21750	100.0
278.22168	7.6
291.23285	11.8
319.22781	26.3
331.22653	12.2
374.12210	8.4
403.93436	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	439.3222
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
50.97636	1.0
77.55676	0.9
82.16380	1.0
114.50617	1.0
116.92929	1.0
204.92432	1.0
215.67380	0.9
261.64539	1.0
439.32193	100.0
440.32553	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	440.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89789	0.3
55.36753	0.4
57.03460	0.8
59.01384	2.1
61.98837	8.4
69.17135	0.4
71.01367	1.2
71.45116	0.5
73.02954	0.5
78.86276	0.4
85.02952	3.0
87.00884	6.6
88.01207	0.6
89.02455	1.1
93.03478	1.0
101.02440	0.8
111.00890	1.1
119.05052	4.0
121.02966	100.0
122.03323	2.9
129.01923	0.6
135.04536	1.4
148.04059	93.9
149.00949	0.7
149.04414	3.9
163.03992	3.2
179.03516	0.6
184.07564	0.4
191.05663	1.1
225.96541	0.5
243.40628	0.4
264.27786	0.4
310.09351	37.3
311.09647	3.3
340.18597	0.4
352.10074	0.8
355.74387	0.4
440.11938	5.3
441.12186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.1
61.98835	8.3
68.99851	3.8
69.08957	5.4
69.09363	7.3
71.01389	9.1
72.99313	12.2
73.02954	2.1
85.02953	3.2
87.00882	14.9
89.02466	6.0
93.03472	4.2
96.96039	3.3
98.22716	3.2
101.02447	5.4
103.00381	3.1
109.02956	3.8
111.00893	3.3
112.98795	11.5
113.02419	2.5
115.00393	3.1
117.03470	8.7
119.05042	93.9
120.05352	2.3
121.03008	2.6
126.77016	2.0
127.00423	1.9
127.05094	2.0
128.03545	3.6
129.03497	3.1
130.99884	3.7
133.01469	4.3
133.02962	15.5
134.03773	13.5
135.04552	25.8
143.05037	4.0
145.02966	38.5
147.03275	3.0
147.04533	24.2
149.00929	11.8
155.28056	1.7
161.02495	9.1
161.06116	6.7
163.04031	100.0
164.04344	2.9
164.07185	3.3
171.04471	2.0
175.04034	21.0
177.01961	6.7
178.02751	2.9
179.03503	22.4
187.07758	1.8
189.05661	3.4
191.05676	2.6
195.86819	1.8
203.03522	85.3
204.03825	3.6
205.05156	3.4
213.09145	2.1
215.03529	11.9
233.04619	4.3
259.02502	4.4
265.04965	4.1
275.09552	2.3
277.03568	52.2
278.04019	3.0
280.06274	2.0
281.06403	3.5
293.10455	9.9
295.04617	17.0
332.99710	2.1
403.01935	1.8
441.17587	7.2
469.68552	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	441.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82986	0.5
55.79839	0.5
57.03450	0.7
59.01392	6.1
59.73079	0.5
60.01706	0.7
61.98838	100.0
69.07486	3.7
71.01399	3.4
73.02954	1.9
74.02500	0.6
75.00911	0.5
78.95897	0.7
87.00895	0.8
89.02438	1.1
93.03496	0.6
96.96043	0.6
98.21876	1.0
99.00886	3.5
101.02477	1.8
108.05080	0.5
109.02983	1.0
113.02454	0.8
119.03517	0.5
129.02019	0.5
131.03806	3.8
132.04599	1.7
133.02945	3.5
134.03763	18.9
135.04567	6.0
137.02460	3.4
142.03033	0.8
143.05136	0.7
147.03017	6.0
151.04001	0.9
161.02536	0.6
165.04182	0.6
168.04582	1.7
177.01959	3.9
178.02748	11.3
178.04259	0.9
179.03528	4.0
180.03381	0.9
191.05704	0.7
201.05832	0.6
203.07217	1.5
231.10349	1.6
245.09879	1.0
247.07758	0.8
257.08377	0.7
263.10812	3.8
272.10901	1.4
274.08936	1.5
275.09317	6.6
290.11880	2.5
293.10361	8.3
293.13318	0.8
307.09747	1.3
334.11166	1.2
344.07336	0.7
363.92618	0.6
378.09833	1.3
441.26099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.4
61.98817	5.8
85.95715	4.8
106.31434	4.3
117.54321	4.4
120.78948	4.2
120.90136	4.1
121.53974	4.4
122.85339	4.3
123.08110	9.9
133.11595	4.8
161.02513	4.9
162.55643	4.2
176.01175	6.3
177.01910	10.0
189.01941	20.2
190.02739	21.5
204.04314	16.7
217.05142	6.3
240.52121	4.2
243.06540	5.6
255.06677	6.1
268.07391	9.2
269.08228	40.7
283.09705	30.0
297.07785	6.2
300.13538	4.8
310.12143	7.5
312.10019	24.8
316.13318	26.2
325.14508	24.4
327.12402	96.8
328.12711	13.3
329.14206	5.2
331.15442	21.7
333.02756	7.5
341.13748	12.2
359.15048	100.0
360.15326	13.5
362.55774	4.7
386.38892	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	441.16
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02839	1.9
58.20734	2.2
59.01384	100.0
60.01701	2.4
61.98819	2.7
69.03465	3.9
69.33994	13.0
71.01389	63.0
72.01733	3.0
73.02972	11.1
83.01392	5.0
85.02954	20.2
85.06599	91.9
86.06956	3.5
87.00895	4.0
89.02450	76.7
93.69159	3.0
97.02967	5.8
101.02451	36.7
101.06088	58.3
111.00931	4.2
113.02468	17.2
113.06110	20.3
115.04020	14.0
115.96034	2.1
119.03517	5.2
120.76424	2.5
121.03025	2.3
125.02496	11.7
129.05608	6.6
131.03519	21.4
132.04556	8.9
149.04575	35.0
157.05087	2.8
161.04568	7.7
189.07681	7.3
191.05621	7.9
233.06717	3.6
235.11913	31.2
235.63905	2.4
293.08826	58.8
294.09180	5.2
313.62381	2.3
381.17673	43.7
382.17990	3.1
395.15686	6.0
402.15445	2.4
403.19781	3.2
405.21475	2.5
441.17413	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	60.1
61.98830	50.9
71.01375	41.1
83.01413	13.4
85.02950	21.2
89.02415	17.9
101.02406	28.3
105.53689	15.7
111.00892	14.7
113.02416	14.8
117.05583	17.4
121.02944	32.6
131.03555	20.9
148.04111	38.1
160.91791	13.6
163.77353	13.8
193.09633	13.2
240.65569	12.7
423.25256	19.6
441.19211	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	441.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
57.03444	3.0
59.01386	74.8
70.90195	1.4
71.01022	3.0
71.01389	41.9
73.02947	21.4
83.01392	13.8
85.02959	22.0
85.06598	63.7
87.00883	3.6
89.02470	9.0
95.01416	3.0
97.02946	2.6
99.00883	6.1
101.02452	44.7
104.83038	1.5
108.35299	1.6
111.00858	1.8
113.02450	15.7
113.06084	12.3
115.04034	11.5
121.02987	3.7
125.02428	1.8
129.05606	2.2
132.04527	4.5
135.04584	2.1
141.79883	1.5
143.03540	2.1
146.06102	1.8
147.04544	2.3
157.05042	3.0
161.04581	13.8
173.04512	1.7
189.07706	4.7
191.05563	2.8
203.07158	4.7
235.09784	6.2
235.11885	79.7
236.12187	3.9
381.17697	100.0
382.17999	7.7
394.16742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87436	1.9
54.86916	1.9
55.01872	2.3
57.03456	2.7
59.01387	62.9
66.42345	1.7
70.65311	3.9
71.01388	21.0
73.02948	13.5
78.06317	1.7
79.86552	1.6
83.01383	9.8
85.02954	13.7
85.06599	100.0
86.06969	1.7
87.00929	2.5
89.02452	6.5
97.02982	1.7
99.00871	4.3
101.02453	33.9
101.03101	2.5
101.06094	2.4
113.02470	13.3
113.06104	17.9
115.04044	13.8
118.69189	1.7
125.02347	2.2
129.05585	5.2
135.04517	1.7
143.03528	1.8
147.04640	1.7
149.04562	2.4
157.05020	3.6
161.04573	9.7
183.97275	1.9
189.07709	8.1
235.11888	56.8
236.12273	4.5
250.93590	1.8
282.22073	1.9
293.08664	2.4
360.20151	2.2
381.17667	56.8
382.17963	4.0
458.31726	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	441.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.0
57.03474	4.1
59.01384	67.2
71.01391	39.0
71.43481	4.4
72.99281	4.4
73.02959	13.5
75.60709	4.3
80.36377	3.6
83.01387	5.0
83.11685	3.4
85.02958	13.8
87.00871	7.3
89.02444	16.8
99.00880	8.2
101.02470	35.2
101.59297	4.2
102.12552	3.6
106.92872	4.1
113.02458	13.8
114.05606	4.4
115.21190	3.4
121.02968	6.6
125.94081	4.2
129.10324	7.9
131.03534	9.8
132.04550	4.2
135.04561	7.4
143.57338	3.8
149.04558	8.1
154.26472	4.5
161.04507	7.9
165.04105	7.4
177.09331	4.2
179.03523	4.4
179.05547	5.5
249.11397	5.5
249.13518	41.6
278.99774	4.4
279.05066	5.2
310.18759	4.1
359.14651	4.4
381.17661	100.0
382.17853	9.7
397.24368	8.9
413.14978	3.9
436.55862	4.2
441.09787	4.4
441.17963	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	441.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.0
57.03474	4.1
59.01384	67.2
71.01391	39.0
71.43481	4.4
72.99281	4.4
73.02959	13.5
75.60709	4.3
80.36377	3.6
83.01387	5.0
83.11685	3.4
85.02958	13.8
87.00871	7.3
89.02444	16.8
99.00880	8.2
101.02470	35.2
101.59297	4.2
102.12552	3.6
106.92872	4.1
113.02458	13.8
114.05606	4.4
115.21190	3.4
121.02968	6.6
125.94081	4.2
129.10324	7.9
131.03534	9.8
132.04550	4.2
135.04561	7.4
143.57338	3.8
149.04558	8.1
154.26472	4.5
161.04507	7.9
165.04105	7.4
177.09331	4.2
179.03523	4.4
179.05547	5.5
249.11397	5.5
249.13518	41.6
278.99774	4.4
279.05066	5.2
310.18759	4.1
359.14651	4.4
381.17661	100.0
382.17853	9.7
397.24368	8.9
413.14978	3.9
436.55862	4.2
441.09787	4.4
441.17963	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	441.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.07194	1.2
60.49396	1.3
66.76621	1.3
69.38538	5.5
70.99233	1.4
71.01386	5.5
71.81197	1.4
73.02950	4.1
73.53649	1.1
80.77376	1.4
82.53336	1.3
89.02422	2.8
92.35416	1.2
96.96021	5.0
98.21980	2.9
101.02410	2.5
113.02457	2.9
126.44684	1.2
179.37968	1.3
190.02591	1.4
222.38399	1.3
313.19943	1.5
353.06989	2.0
359.15146	1.4
361.11093	5.0
381.06827	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	441.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98818	2.6
67.66192	1.8
71.01386	5.1
71.41683	2.5
73.02972	6.2
87.33206	1.6
87.91162	1.6
101.02448	4.4
103.70567	1.7
113.02458	2.3
153.76508	1.9
176.72360	1.8
349.93753	1.8
359.14871	3.9
397.04880	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	441.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	28.8
61.98829	5.1
66.90553	3.4
70.84495	6.7
71.01388	19.4
73.02950	9.6
75.00893	7.7
75.56093	3.4
85.02976	5.1
88.78561	4.2
89.02467	7.6
98.22073	4.0
101.02489	5.7
113.02456	14.8
217.15556	4.3
232.84802	4.3
267.71399	4.7
275.23770	4.6
279.23318	100.0
280.23630	10.7
293.24838	33.0
303.22998	3.9
321.24304	13.9
322.24808	4.4
333.24347	12.0
351.25421	5.4
441.33792	17.4
442.34000	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	442.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.5
61.98817	1.8
69.03443	2.6
70.69966	1.4
71.01378	3.0
72.00916	1.6
74.15810	0.6
78.95882	0.7
85.02918	0.8
89.02452	2.1
93.03475	1.2
101.02476	1.1
109.04073	1.3
113.02477	5.0
115.04037	1.0
117.82749	0.7
120.05656	1.4
121.02945	1.8
125.02449	1.0
127.05148	1.1
128.03554	3.8
129.00230	0.8
132.01524	1.0
135.05623	1.2
137.02444	1.3
137.07217	1.2
143.00243	0.9
144.04526	1.0
145.97652	1.2
147.01282	0.8
147.99265	1.4
148.04030	1.1
150.01735	2.5
153.01941	1.1
155.01981	0.9
159.01544	1.2
161.04576	1.6
165.01634	0.9
167.03140	0.9
167.04396	1.5
168.01544	52.4
168.98141	3.3
168.99368	1.3
169.01712	3.8
175.04886	1.3
177.01578	3.4
181.05991	3.6
183.02638	0.9
183.99254	5.7
184.00963	1.9
186.02556	1.2
186.99203	3.4
193.00977	3.7
193.04697	2.2
195.02585	1.7
195.06271	2.3
201.02748	0.9
202.00201	0.9
204.06308	1.2
207.02356	0.8
209.04178	4.3
211.02205	1.7
213.00871	0.8
219.03949	1.1
221.04099	22.4
222.04251	2.0
223.05711	1.6
225.02177	2.4
225.03717	32.5
226.00291	1.8
226.03889	3.1
230.04251	2.4
232.05768	2.3
248.05341	1.0
248.33366	0.8
249.99579	1.0
250.06828	14.1
251.01613	1.8
251.07184	0.9
266.05371	1.5
269.02600	0.8
276.04706	40.8
277.04910	3.4
277.99277	1.2
278.25739	0.8
280.01352	1.9
280.04208	0.9
294.05811	30.3
295.02573	1.7
295.05997	2.1
301.02609	1.7
308.02084	1.5
326.03091	4.2
328.04712	1.8
357.09592	0.9
367.04532	5.5
397.09842	0.8
424.06967	4.8
425.06830	0.9
442.07883	100.0
443.08029	14.3
460.08899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04918	0.3
51.39572	0.3
59.01377	2.3
70.19329	0.6
70.19651	0.5
71.01382	1.5
83.01352	0.3
87.00871	0.6
88.98808	1.5
89.02461	1.7
90.47439	0.3
93.03454	1.9
99.00880	0.5
101.02482	0.5
105.01945	1.4
116.61303	0.4
121.02967	100.0
122.03309	3.5
125.02457	1.0
128.03516	0.7
133.03076	0.4
134.03752	7.8
135.04558	0.6
136.65207	0.4
137.02460	1.5
148.04057	61.1
149.04410	2.4
149.06088	2.6
168.49852	0.4
175.04070	0.7
177.05557	0.3
178.02727	4.4
179.03520	0.9
181.74231	0.3
191.05643	1.6
193.05072	15.8
210.84068	0.3
233.06676	0.4
252.12782	0.3
281.06592	1.2
293.08746	1.0
355.10477	2.0
442.13550	35.4
443.13422	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	442.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
59.01115	1.4
59.01389	12.6
60.02858	0.8
61.98840	100.0
69.86120	2.6
71.01391	3.5
87.00888	2.9
89.02468	1.8
97.06607	1.2
98.21931	1.4
101.02458	2.1
109.02955	4.6
112.98851	1.3
116.07196	0.9
121.02964	1.5
123.04484	0.8
132.04521	0.8
134.03763	26.4
135.04544	6.8
136.01656	2.3
137.02448	2.1
145.02986	1.0
149.00932	3.8
151.03989	2.2
169.74771	0.9
179.03482	1.4
191.05598	1.8
215.38112	0.8
231.10283	7.0
251.38516	0.8
265.05194	1.0
266.05524	1.3
267.06540	4.3
276.09723	1.7
293.10425	2.1
311.05676	1.5
311.11456	6.5
382.24161	2.0
443.19067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.1
59.01381	8.2
61.98837	8.5
63.82944	1.6
64.69444	1.9
71.01379	4.5
72.00919	8.1
74.02484	64.7
81.07095	5.4
83.05035	2.8
85.02912	1.5
85.06583	3.3
98.22691	5.3
104.03550	44.2
108.10101	1.5
117.45299	2.0
120.04485	1.5
126.05605	3.8
133.03011	1.9
135.04480	1.6
177.12874	1.7
221.08057	4.0
237.14981	26.3
253.21289	2.0
307.01624	1.7
323.94040	1.9
412.26981	18.2
442.28107	100.0
443.28720	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13327	1.5
59.01389	11.0
60.99311	13.4
61.98831	2.3
71.01379	5.6
71.42891	1.9
75.00887	1.9
78.95914	3.1
85.02953	5.9
87.00882	2.1
88.98814	100.0
89.02454	4.6
93.03458	7.7
99.04509	2.0
101.02444	5.7
108.71398	1.6
111.04558	1.8
113.02470	2.6
115.25193	1.6
119.05009	4.0
121.02957	19.3
121.35927	1.6
122.03298	6.0
123.04526	4.0
133.02960	9.1
134.03738	5.8
135.04562	20.6
137.02446	7.4
139.04012	3.0
139.46646	1.6
148.04044	9.8
148.05267	3.5
149.02386	2.7
149.04378	7.0
149.06122	9.4
161.02444	19.0
163.04012	3.4
177.05591	17.0
178.02814	3.0
179.03494	18.5
183.84309	1.9
191.05632	82.4
193.05081	4.7
216.80496	1.5
221.04578	16.4
221.08182	2.1
280.95145	3.2
281.06705	19.9
282.07040	3.0
302.20657	1.7
353.08917	8.6
383.09875	10.5
400.10361	1.6
443.12329	20.6
443.19406	3.1
444.12796	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.3
59.01383	57.4
61.89484	3.5
61.98821	10.6
69.03461	54.2
70.03782	12.4
70.56326	6.0
71.01385	43.7
73.02947	8.5
78.70655	3.2
83.01411	3.5
85.02946	17.7
89.02443	33.5
93.03448	10.9
99.04478	4.1
101.02454	32.6
102.60138	4.2
108.30446	3.8
109.02869	3.8
113.02465	100.0
114.02795	12.6
115.04025	16.9
119.03519	16.3
121.02972	16.2
123.04476	4.4
131.03462	8.2
133.02936	4.2
135.04477	4.0
137.02431	18.6
143.03485	8.0
148.04076	15.1
161.04596	34.3
168.01550	7.3
179.05643	32.1
191.05617	4.5
193.04999	5.1
213.00827	4.6
226.99884	10.8
232.73035	4.6
237.09764	7.4
277.05182	7.7
293.08762	13.6
301.06808	6.0
311.01941	25.7
352.95239	4.0
383.15555	26.1
443.09494	58.0
444.09924	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56727	10.9
54.02262	12.8
58.79491	12.4
59.01386	55.8
61.98839	71.1
67.05590	10.8
69.77989	31.2
70.09696	10.9
71.01393	37.4
89.02452	63.3
89.45174	9.9
98.22614	19.6
101.02441	22.3
107.01543	10.7
113.02462	22.2
117.18123	9.8
119.03487	32.9
121.49377	9.8
131.03520	25.8
135.04555	17.1
138.30278	11.6
141.71690	12.2
148.03999	17.2
154.61783	11.4
161.04597	19.4
164.07060	19.7
179.05598	68.6
192.49287	13.2
221.90027	12.4
245.06575	18.2
247.02818	11.1
289.84528	11.8
293.08786	44.4
330.82468	11.8
347.40039	13.7
383.15317	12.5
407.11639	20.7
408.86707	10.9
443.09567	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	443.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.0
61.98832	3.4
64.40084	2.6
69.01233	2.1
69.29443	13.8
71.01399	4.3
77.48212	2.2
81.76357	2.5
85.02947	2.9
97.63320	2.5
98.22657	5.1
99.04538	2.7
104.02719	7.6
133.03020	5.5
134.03784	4.0
148.01707	10.7
172.66008	2.5
176.01163	100.0
177.01944	61.8
193.04964	2.8
208.44817	2.3
245.04381	2.5
245.08214	16.8
272.85370	2.4
339.07175	20.8
443.10690	3.6
443.19168	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	443.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36124	0.3
55.94400	0.4
59.01387	3.9
60.42815	0.3
60.89603	0.4
70.68354	0.4
71.01389	2.9
73.02927	1.1
85.02953	1.1
89.02441	1.0
89.03964	1.5
101.02454	1.9
106.04230	0.4
108.02219	0.8
109.02938	1.4
113.02461	1.3
117.03483	6.3
119.03509	0.4
125.02478	0.5
132.02188	3.3
133.02965	4.1
134.03751	89.5
135.04054	3.2
137.02440	0.5
149.06099	10.2
150.06407	0.5
152.01210	0.8
153.02013	1.9
154.86909	0.4
160.01671	12.4
161.02480	3.9
175.04021	10.5
176.04338	0.4
178.02724	0.7
179.74551	0.4
188.61664	0.4
191.66341	0.3
193.05067	100.0
194.05396	4.8
203.06914	0.6
215.56073	0.4
221.07953	1.1
268.03876	0.6
269.04544	3.4
270.04770	0.5
281.10376	0.6
416.51657	0.4
443.15918	12.1
443.61020	0.5
444.16162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.5
59.01395	27.9
60.86493	4.5
61.98842	22.6
67.60545	4.1
69.03464	5.0
71.01388	17.3
71.40974	4.1
73.02969	6.7
78.63764	3.8
82.44460	4.1
85.02964	6.8
85.91264	4.2
86.78716	4.2
89.02444	16.3
93.03470	7.5
99.00888	5.2
99.04504	5.5
101.02445	8.1
108.80685	4.3
109.61431	4.0
113.02485	12.9
117.00452	4.2
121.02976	8.5
123.00911	100.0
125.02445	10.4
135.04489	4.7
137.02411	9.0
138.03246	60.7
139.04053	5.1
141.00462	7.8
144.04556	8.3
145.02979	5.2
146.02452	7.5
147.04529	16.6
148.18033	4.5
151.04048	6.0
153.02072	4.0
158.06120	4.9
159.04414	5.8
161.04573	12.9
163.04076	4.4
168.99956	4.8
173.06029	6.8
175.04019	4.6
175.98792	4.1
176.04720	4.6
185.06090	7.2
187.04057	4.5
191.07176	19.2
192.07356	4.6
193.05067	5.8
200.23981	3.9
202.06386	14.2
203.07182	65.7
220.07431	10.2
221.08223	63.8
243.03481	5.6
279.98822	5.5
280.04395	17.3
383.08505	32.6
383.15469	14.7
443.10361	42.7
444.10614	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	443.1561
Annotation	Sibiricaphenone
Peak:m/z	Relative Intensity
57.03449	0.2
59.01392	1.8
71.01389	0.9
73.02975	0.2
77.04875	0.2
85.02967	0.3
87.00900	0.3
89.02451	0.5
93.03481	0.2
101.02446	0.4
105.01936	0.4
107.05019	0.5
108.02202	0.2
109.02898	0.2
113.02430	0.3
117.03449	0.3
117.29332	0.2
119.03488	0.2
121.02882	0.2
128.03528	0.5
133.02965	0.5
134.03755	2.8
135.04536	100.0
136.04857	4.0
151.00339	0.2
161.02489	1.4
166.41675	0.2
179.03503	0.5
191.05634	0.5
227.03546	0.2
255.03020	0.6
267.06400	0.3
283.02533	0.6
284.03058	0.2
285.04108	2.5
286.04413	0.3
311.11533	0.2
313.78159	0.2
319.81073	0.2
356.08322	0.2
369.96240	0.2
376.58447	0.6
377.08661	1.2
377.58997	0.5
428.19370	0.2
443.10178	0.3
443.15616	0.3
443.25040	0.4
469.13510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87622	3.7
57.03446	7.9
59.01383	71.7
61.98834	23.6
66.11666	4.2
69.49554	18.2
71.01388	44.2
73.02959	18.0
83.01408	8.1
85.02956	26.2
87.00850	4.9
89.02436	23.0
96.96048	5.6
97.02946	5.7
98.21841	8.8
99.00882	11.2
101.02438	35.4
104.92294	4.4
109.03004	5.8
111.00927	7.0
113.02455	13.7
123.04515	5.1
125.02459	5.2
130.06651	14.4
131.03523	15.7
132.04617	5.4
133.03000	5.0
134.03780	9.9
135.04530	50.4
137.02466	14.0
141.98198	4.6
148.04063	4.4
149.04556	5.9
149.06076	7.8
161.02467	23.6
161.04509	8.7
177.05583	14.2
179.03477	32.5
219.06541	5.9
221.04597	12.8
251.11377	33.9
281.06784	41.2
301.05145	33.9
383.15652	100.0
384.16052	4.6
438.40268	4.2
443.11823	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.7
59.01386	100.0
60.01749	0.9
61.98824	1.0
66.58558	0.8
67.51743	0.7
71.01382	9.5
71.44098	0.8
73.02945	3.8
80.91683	1.0
83.01386	1.3
85.02952	5.2
87.00889	2.2
89.02459	2.4
93.03461	1.1
94.90269	0.8
95.01415	1.4
95.05034	1.0
96.96024	1.1
98.41946	0.9
99.00868	1.8
101.02412	4.4
105.01960	4.6
113.02457	5.1
132.68956	0.9
133.02966	1.2
134.03755	2.5
135.04543	13.4
137.02492	1.1
149.04361	1.8
151.04031	0.9
151.07524	0.9
151.11293	1.0
152.01115	1.1
154.01503	1.2
161.02475	2.2
161.04558	3.7
161.09724	3.7
163.07674	1.6
165.05478	0.9
165.09187	1.0
167.03548	0.9
179.03491	2.8
179.10777	10.7
191.05524	1.1
191.07137	1.4
193.03220	1.4
193.12317	3.2
203.10803	16.9
206.09529	6.4
219.10335	2.0
221.11842	83.3
222.12209	3.6
223.07672	4.0
230.18806	1.0
267.06470	1.7
311.05603	3.0
311.11288	1.9
311.18610	1.6
428.36884	0.9
443.18918	1.5
443.24277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71740	0.7
64.69299	0.8
78.96276	0.8
117.41397	0.8
125.84589	0.7
159.08459	5.2
161.06406	1.3
277.07587	2.2
351.77377	0.7
357.13837	1.7
359.15372	100.0
360.15533	12.7
377.16266	1.1
425.20111	1.1
427.21594	46.2
428.21823	9.2
443.24567	4.5
465.38068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04066	1.0
59.01386	3.1
62.90012	1.0
65.91608	1.0
70.75480	0.9
75.25749	1.1
87.01791	1.0
91.04028	1.2
98.21872	2.1
104.32605	1.0
130.79343	1.2
183.60817	1.2
199.30766	1.2
201.83778	1.1
281.24786	1.2
305.28644	1.6
307.30093	94.0
308.30368	10.5
325.31650	1.5
351.29062	49.3
352.29367	6.5
369.30106	100.0
370.30591	9.5
381.32147	1.4
397.31369	1.8
399.32834	3.5
443.34872	91.1
444.35242	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	443.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95691	1.1
51.40480	1.0
57.03464	1.4
61.98844	1.4
77.28271	1.2
83.05052	1.5
91.04017	1.6
92.26075	1.1
96.02352	1.3
101.30487	1.3
158.47574	1.0
248.54468	1.2
261.47540	1.3
279.23358	20.8
279.26395	2.5
280.23694	2.7
289.25159	1.3
307.30084	100.0
308.30426	10.1
325.31244	2.4
341.07095	1.4
351.29086	41.0
352.29214	3.8
367.24844	2.0
369.30115	82.1
370.30588	8.8
443.33884	34.4
444.34106	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	444.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75949	0.4
59.01383	3.2
64.00204	0.4
66.00980	4.4
71.01410	1.3
71.44942	0.5
82.04122	4.9
85.02996	1.4
87.00896	1.0
89.02452	0.7
92.05071	3.9
93.03465	2.0
96.05681	0.8
96.96031	1.1
98.03648	1.9
101.02492	0.5
108.02221	0.9
108.05753	0.5
109.02979	0.7
110.03654	0.5
121.05250	1.5
124.05188	2.0
128.03548	2.3
131.81062	0.4
133.02989	2.4
134.03828	1.2
135.04570	7.9
135.05676	2.5
135.06584	0.4
136.78305	0.4
137.02448	4.0
147.05701	0.6
149.04729	0.6
161.02461	5.6
161.07225	0.7
170.06067	0.4
173.04604	1.3
175.08809	1.0
177.10349	8.7
178.10706	0.5
179.03497	4.6
187.08810	0.7
189.10373	1.5
201.01839	0.4
201.11504	0.8
203.11977	0.6
229.10968	17.2
230.11287	0.9
233.09325	1.2
244.12086	3.1
244.14417	0.9
254.10403	0.8
272.11594	6.2
273.09949	38.1
274.10236	2.8
286.16797	3.9
287.17270	0.6
298.09491	3.2
298.12857	0.9
312.11176	0.9
312.14734	3.3
314.16345	3.4
315.12213	5.4
322.13199	1.7
340.14093	4.4
341.12689	1.0
358.15213	20.5
359.15582	1.6
374.84671	0.5
384.13196	5.2
402.14215	100.0
403.14471	10.7
426.15222	1.6
427.13474	2.9
444.16403	21.3
445.13046	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	444.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60124	0.4
57.03450	7.0
59.01366	0.6
60.99310	1.3
61.98834	1.4
63.60384	0.4
70.79656	0.8
71.05039	1.0
72.00914	4.8
72.04568	0.5
74.02480	69.6
75.02817	0.6
83.05048	0.5
85.06612	0.8
86.02488	0.8
89.22836	0.4
95.05058	0.6
97.06608	1.4
98.06113	2.0
99.08178	4.0
104.03547	48.7
105.03853	0.6
110.06121	1.6
111.03268	1.4
112.04063	2.1
113.09731	1.4
123.08189	1.4
124.05302	1.1
125.09719	0.9
126.05651	3.6
141.09219	1.1
143.10793	16.9
144.11137	0.8
156.04301	1.4
164.46497	0.4
167.14406	1.3
169.12366	0.7
177.12750	0.5
211.17015	0.7
230.37006	0.4
237.15038	0.5
295.02469	0.6
311.25739	1.0
321.24435	0.7
339.25403	29.5
340.25952	2.8
349.69250	0.4
359.15118	0.6
364.28418	0.5
370.29752	0.5
382.29660	0.9
400.30624	0.8
414.28632	18.2
415.28839	1.6
420.06662	0.5
426.28702	0.7
444.29688	100.0
445.29953	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	444.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.2
59.01385	5.1
60.99308	0.8
61.98832	1.8
69.80520	1.2
69.80905	1.3
71.01389	2.8
72.00919	5.1
73.02954	0.8
74.02480	100.0
74.13317	0.7
75.02820	1.2
85.02959	0.9
86.02489	1.5
89.02445	1.8
95.05048	1.3
97.06578	0.7
101.02484	1.8
104.03545	48.9
107.24771	0.7
108.08189	0.6
113.09682	0.8
123.08118	0.8
126.09245	1.4
133.02994	0.9
138.09268	12.6
143.10782	2.9
148.04018	0.7
149.04575	0.7
156.10330	1.2
161.04584	1.2
243.19559	1.1
301.07788	0.6
313.16599	0.8
313.20291	0.7
325.12421	0.6
357.62766	0.6
414.28589	17.1
415.28998	2.1
426.28424	0.7
444.29733	88.6
445.20746	1.9
445.30014	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	445.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01384	19.3
61.98830	1.6
69.12562	4.4
71.01395	6.2
73.02953	1.1
75.00883	1.2
85.02959	2.2
87.00893	0.9
89.02460	4.0
93.03468	3.4
101.02476	3.6
105.01952	13.5
108.02183	1.3
109.02966	33.9
113.02464	2.5
119.03519	1.6
119.05041	5.5
121.02955	4.9
123.04533	2.0
129.03481	10.9
130.04300	1.2
133.02922	0.8
135.04562	2.7
137.02431	0.8
137.06107	9.1
145.02975	7.3
146.03761	8.1
147.04543	100.0
148.04987	3.8
157.03004	3.5
158.03703	1.6
159.04536	23.3
160.04880	0.8
161.02507	1.1
161.04581	1.8
173.02434	1.4
175.03993	1.7
179.03473	1.0
179.10785	1.2
185.02464	2.5
193.66966	0.7
203.03510	5.4
205.12392	3.0
221.06081	1.4
223.07660	1.1
223.13374	1.6
224.05038	0.7
229.01443	20.8
237.05406	0.7
248.04758	1.3
249.05501	3.3
250.06412	1.6
251.07172	1.2
252.07867	1.2
266.05856	1.7
267.06635	12.3
268.07190	1.3
269.08234	39.7
270.08606	2.8
277.05109	7.2
278.05814	1.9
293.04575	2.4
294.05420	1.6
295.06152	14.1
296.06488	1.6
313.07236	15.0
314.07675	1.1
339.05124	59.4
340.05502	6.0
357.06238	3.4
385.18738	1.0
401.08643	2.1
445.07828	12.2
445.25797	0.8
446.08301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18691	0.8
57.68235	0.9
59.01395	3.7
69.52007	3.3
75.00882	0.8
79.82292	0.9
86.14020	0.7
89.02502	0.9
93.03518	0.9
99.94057	0.7
103.43058	0.8
105.01944	12.7
108.02195	2.1
109.02964	30.5
110.03293	0.7
112.28598	0.8
119.05032	5.0
121.02995	3.5
122.03751	1.7
123.04544	1.9
129.03476	8.1
130.04283	1.3
131.05084	1.1
135.04555	1.1
137.02475	0.9
145.02963	6.4
146.03754	8.8
147.04541	100.0
148.04883	3.6
157.02983	3.7
158.03729	3.1
159.04533	25.4
160.04976	0.8
163.04132	0.9
170.39555	0.7
173.02437	1.6
175.04034	2.7
185.02444	2.7
186.03160	1.1
191.76176	0.8
203.03532	4.2
221.06105	1.8
225.05487	0.9
229.01424	19.0
230.01930	2.1
233.05948	0.8
238.06322	1.3
239.07239	1.4
249.05624	4.2
250.06313	1.4
251.07112	1.3
252.07875	1.2
253.05272	1.0
266.05811	1.3
267.06619	10.8
269.08215	38.9
270.08636	1.5
277.05048	7.4
278.05780	1.6
293.04617	3.4
294.05219	1.6
295.06155	16.5
296.06647	0.9
313.07248	15.4
314.07602	1.5
339.05112	65.4
340.05460	6.4
357.06232	2.5
401.08713	1.1
445.07910	10.8
446.07971	0.9
456.12842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56338	1.4
59.01389	15.2
61.98835	2.5
65.13992	1.6
69.22807	8.3
71.01399	7.1
73.02993	1.8
87.00852	2.6
89.02457	10.6
91.01912	1.6
93.03461	4.8
96.95969	7.0
98.22579	3.9
101.02428	4.3
109.02979	1.7
113.02456	3.2
119.03504	4.2
119.05063	2.8
128.03549	3.6
133.02972	100.0
134.03317	3.5
135.00854	4.0
135.04561	11.4
137.02461	62.9
137.03517	3.1
138.02745	2.5
151.04028	25.0
153.01871	1.5
161.02484	9.3
161.04565	2.4
179.03526	6.1
179.05537	2.1
185.06015	1.6
189.75313	1.6
191.05577	2.0
203.07179	2.3
222.08954	2.3
228.02435	1.5
247.06096	21.4
283.08252	8.2
338.84058	1.7
409.11420	11.4
445.13446	6.1
445.23349	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	445.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.8
69.28070	3.6
71.01405	4.6
73.02966	1.2
85.02968	1.7
88.02341	0.6
89.02454	5.2
101.02470	4.1
102.58788	0.6
107.05052	1.6
113.02451	1.7
114.30978	0.6
117.03478	1.4
119.03511	1.6
121.05093	1.8
132.02164	1.1
133.01938	0.9
133.02972	26.4
134.03780	6.9
135.04546	100.0
136.04924	2.9
137.02455	3.2
145.88531	0.5
161.02466	87.0
162.02814	2.8
179.03517	66.9
180.03912	2.1
226.50742	0.6
233.71782	0.6
248.58264	0.6
265.07135	0.9
283.10382	1.7
291.80527	0.6
445.13547	69.6
446.13910	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	445.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01383	9.9
62.69895	0.4
63.52161	0.4
69.95418	1.0
69.95770	0.8
70.06343	0.4
71.01385	6.8
73.02944	1.9
83.01392	0.6
85.02943	2.5
87.00872	0.5
89.02448	4.8
93.03455	0.7
96.36356	0.4
96.96056	0.5
99.00889	0.5
101.02456	5.5
105.29105	0.4
107.05054	1.7
108.02176	2.0
109.02969	1.2
113.02444	1.9
116.83904	0.4
117.03455	1.0
119.03509	2.1
121.05079	2.4
125.02457	0.7
132.02217	1.1
133.01942	0.6
133.02974	24.2
134.03793	6.5
135.04543	100.0
136.04831	3.2
137.02472	7.0
152.01112	0.7
161.02463	70.4
162.02809	2.9
179.03511	54.2
180.03888	2.3
265.07126	0.6
283.10410	1.4
289.42358	0.4
315.07227	0.6
375.53693	0.4
403.14441	0.9
445.13547	93.4
446.13885	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	445.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04850	0.6
51.18710	0.6
54.22211	0.6
57.81311	0.6
59.01377	9.1
60.63250	0.6
66.87337	0.6
68.28773	0.8
68.67985	0.7
70.49956	1.6
71.01397	4.7
73.02949	2.2
74.09469	0.6
78.70055	0.6
81.03465	0.7
85.02962	1.6
87.00898	0.8
89.02458	4.0
101.02431	3.2
107.05055	0.9
113.02457	2.6
119.03519	1.5
121.05070	1.3
125.02498	1.0
132.02177	1.4
133.02969	18.0
134.03746	6.5
135.04541	46.2
136.01671	2.2
136.04897	1.7
137.02454	100.0
138.02783	2.6
142.67068	0.6
161.02457	61.6
162.02779	2.6
179.03503	28.4
180.03879	1.3
181.05084	1.0
222.08998	3.5
223.06178	1.6
223.09720	2.4
224.83472	0.7
265.07175	2.5
278.46759	0.7
283.10529	1.4
296.02066	0.6
320.95923	0.8
385.15186	0.9
404.15598	0.8
445.13522	37.9
446.13815	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	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96331	1.6
55.01858	2.8
57.03456	41.9
59.01385	59.6
61.98323	1.7
61.98822	3.5
65.86143	1.6
70.21711	2.4
70.22018	2.4
71.01384	26.2
73.02952	17.0
75.00867	2.3
81.03443	2.0
83.01365	4.5
85.02966	12.6
87.00883	6.9
89.02448	17.5
89.20086	1.8
93.03475	3.9
95.01404	3.1
97.02998	1.8
99.00875	1.9
99.04536	40.8
101.02449	35.6
103.04007	4.5
107.04987	2.6
109.02969	4.2
113.02464	9.7
115.04016	4.8
119.03497	6.6
119.05027	10.1
121.02957	6.4
121.05075	2.2
123.00920	14.3
123.04544	3.2
124.01674	70.7
125.02467	23.6
131.03502	5.4
133.02966	21.5
134.03836	8.8
135.04544	100.0
136.04832	3.0
137.02454	20.1
138.03288	10.2
139.04033	60.8
143.03497	5.7
145.05113	2.1
149.06071	2.2
159.04514	2.2
161.02466	68.6
161.04562	6.4
162.02870	3.4
163.06099	6.9
165.01959	5.1
173.04584	2.3
175.03999	2.4
177.02055	2.5
177.04012	2.3
177.05524	1.8
178.02754	2.2
179.03519	50.0
180.03778	3.3
185.43103	1.7
193.05054	2.4
201.05696	1.8
205.07170	8.0
223.09822	10.7
257.01535	1.7
258.99353	2.1
283.08063	9.8
299.02405	3.5
301.00223	4.9
301.09293	4.0
315.01849	2.1
325.00241	2.7
326.00824	2.0
343.10480	2.5
385.02393	11.9
403.14490	2.1
445.12888	68.5
446.13931	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	445.1355
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
58.59085	1.5
59.01385	90.4
68.84502	1.4
69.03438	5.5
71.01389	69.9
73.02953	10.6
75.00874	3.3
81.03477	3.4
83.01384	5.6
85.02955	5.2
87.00893	1.5
87.95066	1.2
87.99432	1.4
89.02456	86.4
91.01888	12.6
91.55984	1.3
92.02685	2.9
93.03474	13.8
96.81075	1.5
97.02966	12.0
99.00875	13.3
99.04552	3.2
101.02452	12.8
107.05053	2.8
113.02460	7.9
115.04009	8.4
117.14398	1.4
119.01392	6.2
119.03469	3.5
121.02968	14.9
125.02460	45.0
131.03520	11.8
136.01660	2.1
137.02449	10.2
137.64867	1.4
143.03494	5.5
149.04550	11.2
151.04027	100.0
152.04326	4.1
161.04546	1.8
175.60582	1.2
179.05602	1.9
181.71933	1.6
183.09978	1.5
191.05624	5.1
205.88675	1.3
233.06691	31.8
293.08871	18.4
368.96494	1.7
413.10806	3.3
445.07590	1.8
445.21106	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01387	100.0
61.98834	2.8
69.03455	2.2
70.64967	2.3
71.01388	36.1
72.99337	2.7
73.02956	40.7
75.00887	1.8
79.52124	1.3
83.01398	5.3
83.30189	1.4
85.02968	13.0
87.00889	12.5
87.04537	6.4
89.02455	26.5
89.02950	2.2
97.02986	2.9
99.00931	2.4
101.02461	40.7
103.04023	12.9
103.49251	1.4
109.03012	4.1
113.02480	4.9
115.04015	14.0
119.03574	9.9
119.05042	29.1
121.02978	4.8
124.01724	4.5
125.02449	7.5
127.04082	3.2
131.03534	12.7
133.02945	2.0
135.04567	5.0
137.02481	8.4
137.06146	1.4
139.04051	2.5
143.03511	16.7
145.05104	2.0
146.03752	3.6
150.03232	1.9
151.04085	1.7
160.05257	2.0
161.02513	4.7
163.06165	25.6
165.01973	2.6
175.04027	1.8
175.07719	3.9
179.03465	2.1
179.05664	2.3
193.08800	5.3
201.05600	2.0
205.07170	26.4
205.08644	2.4
212.79367	1.7
223.09789	30.9
230.99915	2.2
245.31111	1.6
245.47112	1.6
265.09424	1.7
299.02585	2.1
299.11548	4.9
301.00339	3.8
317.03574	2.2
325.00357	2.3
341.04605	1.5
367.01443	2.2
385.02695	6.8
403.14230	1.8
445.17361	64.1
446.17810	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23142	0.7
53.93495	0.8
55.01875	0.8
57.03443	1.7
58.21746	0.7
58.69089	0.6
59.01387	100.0
60.01706	0.9
61.98854	1.2
68.43891	0.6
69.57700	1.3
69.58057	2.3
71.01390	16.4
72.99315	0.9
73.02959	1.9
75.00916	0.9
83.01421	1.0
85.02942	4.5
87.00931	1.6
89.02458	16.9
89.03018	1.0
93.03512	2.3
95.01444	0.7
96.00967	0.8
98.02491	1.0
99.04566	1.1
101.02457	8.9
101.04008	0.7
105.01942	8.2
108.02225	1.2
109.02970	20.9
109.03703	1.2
111.04601	0.9
113.02473	7.6
113.03630	0.7
119.03510	8.2
119.05081	2.5
121.02983	2.7
123.04556	1.4
125.02524	0.8
127.05185	2.1
128.03590	0.9
129.03479	5.1
130.04335	0.9
130.08698	3.5
131.03488	0.8
133.02954	0.8
135.04567	2.0
137.02498	2.9
137.06105	0.9
141.10429	0.9
143.03581	0.9
145.02974	4.5
145.06230	3.1
146.03778	5.1
146.06052	0.8
147.04541	56.7
148.04924	2.9
151.11345	1.5
157.03026	1.8
158.03799	1.5
159.04544	17.1
160.05014	0.7
161.04591	4.0
163.11378	2.2
171.65746	0.7
173.02473	1.5
175.04016	1.6
175.11206	0.8
179.03520	0.8
179.05655	1.5
179.10844	2.5
185.02550	2.1
187.11186	2.8
203.03526	3.5
205.12363	13.8
211.07658	1.0
221.06454	1.2
223.13531	1.2
224.16829	0.7
229.01454	13.1
230.01840	1.1
239.07263	1.5
249.05632	1.7
266.05814	1.4
267.06638	8.2
269.08209	22.3
270.08582	1.4
271.02570	1.9
277.05157	4.3
281.17804	0.8
283.15369	0.7
293.04694	1.9
294.05383	1.3
295.06171	10.4
299.02072	1.3
299.18872	1.2
313.07187	8.7
339.05118	40.3
340.05597	3.5
357.06284	1.3
363.57819	1.0
364.08072	1.7
380.18506	2.1
401.09125	1.1
410.19556	3.0
427.21927	1.0
430.06772	0.7
445.07617	6.5
445.14572	1.2
445.21005	5.0
445.26459	8.8
446.08694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2084
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
57.03447	1.8
59.01385	100.0
61.45686	0.6
69.46885	2.7
71.01387	16.0
72.99313	0.9
73.02972	0.8
83.01410	1.9
85.02966	3.4
87.00877	1.1
89.02458	23.4
94.93703	0.6
95.01418	0.7
101.02452	16.1
108.02200	0.7
110.25098	0.7
112.28719	0.7
113.02473	5.2
119.03523	10.5
121.06644	0.7
121.51480	0.7
131.03636	0.7
143.03529	1.8
161.04599	4.6
163.11327	1.0
165.09299	0.8
179.05630	7.1
179.10851	2.7
183.72075	0.6
205.12393	2.7
210.75290	0.7
223.13371	6.7
235.13426	1.6
237.15100	1.8
244.11000	0.6
247.13477	1.2
265.14493	4.1
320.44324	0.6
358.24026	0.7
365.48294	0.6
445.21133	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51465	0.5
57.03436	0.8
57.76504	0.5
59.01385	100.0
60.01706	0.9
69.48640	1.9
71.01388	16.7
73.02950	0.9
73.78516	0.5
74.33170	0.5
79.69024	0.5
79.80033	0.4
83.01427	0.7
83.05037	2.2
85.02976	2.2
87.00903	0.8
89.02453	23.3
92.97500	0.5
95.01408	1.1
101.02438	7.7
107.56327	0.5
108.02181	0.5
113.02462	5.8
119.03513	9.7
121.02987	0.7
121.06607	0.5
123.04592	0.5
125.02541	0.6
131.03532	0.8
137.02489	1.4
137.06230	0.6
138.01993	3.6
139.04030	2.2
143.03516	2.6
149.04596	0.8
151.04099	0.6
161.04562	3.1
179.05609	11.6
181.05096	0.9
189.47044	0.5
209.08372	0.6
223.06284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.1
59.01385	100.0
60.01730	0.9
61.98825	2.5
69.35002	3.5
71.01392	13.5
73.02958	3.5
75.00874	1.0
83.01388	1.0
83.05032	1.5
85.02953	7.2
87.00889	4.2
89.02444	15.5
92.06280	0.7
95.01411	2.6
98.22643	1.2
99.00906	2.2
101.02455	8.5
105.49617	0.8
105.52378	0.8
107.01422	1.0
113.02465	13.9
117.02045	0.8
117.03449	1.4
119.03532	6.3
121.02991	1.1
130.08763	1.5
135.04546	2.3
137.06073	1.0
143.03607	1.0
155.10796	11.9
159.04504	0.9
161.02449	2.3
161.04585	2.7
163.11391	0.9
175.02594	1.3
178.02789	1.3
179.03534	1.7
179.05656	3.0
187.11295	2.5
193.05121	0.9
199.09773	12.3
203.50629	0.8
205.12347	3.5
209.11841	29.8
210.12233	0.9
225.05577	0.9
230.17429	0.8
233.11888	1.8
253.09433	3.9
259.13559	0.9
269.04572	33.7
270.04874	2.0
277.14401	1.4
289.06982	0.9
385.18561	1.3
422.25455	0.8
445.15436	1.6
445.20306	5.4
445.25803	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	445.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
71.01425	0.3
71.28445	0.3
77.47130	0.3
78.95908	6.9
83.05046	0.4
110.98540	5.5
117.03454	0.8
119.05051	1.0
127.07608	0.3
129.75867	0.4
142.20859	0.3
145.02950	0.9
152.99570	0.4
167.01149	3.3
185.02213	4.0
210.87357	0.4
218.21849	0.3
231.50078	0.4
259.20737	0.4
275.20050	0.5
277.21738	100.0
278.22089	8.5
278.25128	0.4
315.84216	0.4
344.99277	0.4
348.39371	0.4
445.23444	5.9
446.23761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
69.39099	1.7
78.61538	0.4
78.95913	9.6
95.95042	0.4
103.69745	0.4
104.34013	0.5
104.34841	0.4
108.66932	0.5
110.98554	6.6
119.05079	0.5
120.44118	0.4
132.31706	0.5
145.02933	0.5
167.01157	5.5
185.02205	4.6
247.40073	0.4
253.28958	0.4
269.43610	0.4
277.21747	100.0
278.22086	9.5
331.92273	0.4
445.23654	7.6
446.24219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
65.81220	0.4
70.21556	0.8
70.21883	0.4
71.01381	0.7
71.32149	0.3
73.02965	0.4
78.95912	20.2
99.27003	0.4
104.97494	0.7
107.18186	0.4
110.98549	13.8
137.00121	0.6
158.52142	0.4
167.01163	14.8
185.02217	4.2
233.22849	0.5
244.08987	0.4
277.21753	100.0
278.22083	9.5
445.23657	16.5
446.23877	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	445.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14528	2.4
55.18040	2.3
59.01388	75.5
60.19489	2.2
61.15255	2.3
65.36195	2.1
67.65438	2.0
71.01393	26.6
73.02962	41.8
83.01398	7.8
83.96899	2.1
85.02956	6.5
87.00859	3.3
87.70875	2.3
89.02451	6.3
95.59037	2.1
101.02448	25.7
113.02451	9.3
119.03535	2.7
121.02988	5.4
145.85500	2.1
161.04584	3.2
223.17084	27.7
224.59940	2.7
241.18077	11.9
325.16977	6.0
385.22217	8.7
403.23428	28.1
445.11572	6.8
445.24438	100.0
446.24957	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	445.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57660	1.1
58.95459	1.4
59.01384	100.0
60.01722	1.2
69.55431	4.2
74.10921	1.0
85.95161	1.1
90.57822	1.3
91.04000	2.0
97.44892	1.0
98.21915	1.4
125.09756	2.1
128.94096	1.1
198.04257	1.3
250.79794	1.2
293.21158	1.4
311.22275	13.1
312.22665	1.6
318.39914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.40265	1.6
70.79858	2.2
76.60684	1.4
99.80113	1.4
105.59042	1.2
121.02978	1.9
134.15341	1.2
218.52838	1.5
295.02692	1.9
295.28165	1.3
311.22348	12.9
313.14429	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72107	0.5
59.01385	13.9
59.54922	0.6
61.98828	1.2
71.01392	4.7
73.02950	1.7
74.02461	0.9
75.00876	1.0
77.42022	0.5
85.02963	1.7
89.02437	3.8
91.01891	2.3
93.03465	9.8
95.01357	0.6
98.36026	0.6
101.02447	2.4
113.02449	2.1
116.05102	0.8
118.02200	1.2
118.03004	18.8
119.03458	2.1
121.02959	2.5
128.03552	1.0
131.03798	1.3
133.02991	0.6
135.04533	1.4
136.04057	87.0
136.99113	0.5
137.02547	0.8
137.04402	2.2
147.04521	3.5
148.04060	1.4
149.04776	1.6
149.84747	0.6
153.09248	2.0
161.04594	1.3
164.07156	5.7
190.05200	0.8
191.05681	2.8
195.08150	0.6
209.11876	2.3
209.56815	0.6
210.12210	1.3
211.13478	0.9
219.57660	0.6
222.09233	1.0
223.07652	4.0
223.09560	0.7
227.03474	1.4
240.10313	48.7
241.10762	3.3
255.02985	1.3
266.08218	0.8
284.09317	100.0
285.04117	1.3
285.09641	6.5
299.18683	0.7
301.03461	0.7
312.06650	0.6
315.18256	0.7
367.04309	0.6
446.14703	19.6
446.23975	1.3
447.09366	2.5
447.14944	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	446.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84724	1.8
58.04114	3.5
59.01374	9.0
61.98834	4.7
67.03018	2.3
71.01405	2.7
81.04586	3.7
83.02533	7.3
85.63826	1.6
89.02442	1.8
92.05072	22.9
96.96050	2.0
102.05631	7.0
105.37531	2.0
109.04079	11.0
121.02999	2.1
123.85947	1.8
124.05177	2.0
126.06752	37.1
128.03560	25.1
133.02931	8.2
135.04633	4.1
135.05701	6.9
136.04048	3.1
137.02466	26.6
138.02776	11.8
146.04604	5.4
147.05641	11.8
148.04060	18.5
161.02477	5.0
162.02837	2.8
163.06369	3.4
163.07695	13.3
171.01265	2.8
173.07216	3.5
177.10431	7.7
179.03566	2.8
179.69946	1.8
189.10410	8.8
197.04689	1.9
221.09343	3.9
225.07727	4.4
233.09294	11.7
275.11526	31.9
285.10294	1.9
300.11295	2.6
317.13705	12.5
360.16779	16.5
361.17093	2.5
386.14819	3.3
404.15784	100.0
405.15988	10.8
429.15570	8.0
446.12439	3.6
446.18146	67.3
447.18457	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	446.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01717	1.8
61.98836	1.4
71.01388	13.8
73.02949	2.2
83.01380	3.4
85.02939	3.0
87.00878	2.4
89.02452	13.8
95.05035	1.1
97.02981	1.1
101.02470	8.4
102.39921	1.1
113.02457	5.5
115.00323	1.3
119.03511	4.1
121.03009	1.1
123.04511	1.2
125.02461	10.2
137.02457	7.1
139.03963	1.2
143.03554	1.8
161.02408	1.4
161.04558	4.3
162.02771	1.3
163.04030	1.3
164.98721	1.8
179.05614	4.6
180.05992	1.9
206.99715	4.2
223.13281	2.6
237.00856	1.7
249.00804	7.7
271.09659	1.4
277.03983	1.8
283.02881	2.6
298.41019	1.3
301.03870	4.7
302.34787	1.2
303.01749	1.4
327.01898	4.4
343.05103	2.6
345.02847	1.8
359.00870	1.6
373.15045	4.0
387.04047	23.3
403.19983	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	446.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	10.8
59.01385	100.0
61.98832	12.1
62.51688	5.4
63.80878	5.2
66.52927	5.3
69.27162	36.7
71.01386	38.1
73.02962	10.7
74.02467	6.7
85.02961	9.0
87.00883	14.3
89.02448	38.2
98.21954	12.5
101.02455	22.7
113.02437	14.6
119.03482	13.1
124.01660	8.6
125.02423	6.9
135.04529	27.2
136.04842	13.0
137.02464	16.7
149.00999	6.1
161.02515	12.1
161.04585	19.6
162.02814	9.6
168.00685	10.6
179.03543	16.8
179.05576	11.5
180.03842	10.0
223.13303	8.4
274.52243	6.2
277.12894	5.9
286.64325	6.0
291.41998	6.2
296.17004	6.1
385.48981	6.8
408.99911	6.4
446.13596	16.6
447.11523	15.1
453.08124	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	446.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56017	2.3
57.03440	3.2
57.13068	2.3
59.01386	100.0
61.98839	12.6
65.06348	2.6
69.30885	12.2
71.01390	34.5
73.02945	9.1
74.02492	3.2
82.95412	2.9
83.01405	4.4
85.02951	8.1
87.00877	6.3
89.02449	39.0
93.03482	3.7
93.27725	2.8
95.01408	3.5
97.02949	2.7
101.02452	25.5
103.04023	3.8
108.02169	4.2
113.02474	13.5
113.31146	2.3
117.75757	2.7
119.03510	7.6
120.99613	2.5
123.04533	4.8
123.29681	2.6
125.02404	3.3
128.03571	2.9
131.03520	5.1
136.07686	3.6
138.00998	3.8
138.01988	48.0
143.03474	3.7
149.04547	4.2
151.04015	5.4
152.04330	7.3
153.05594	3.0
153.17679	2.4
161.04562	13.9
179.05620	8.8
284.03241	4.7
293.08792	3.6
315.18137	5.6
387.20352	7.5
403.19736	11.2
447.09174	5.1
447.18686	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	447.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64792	0.4
57.03452	0.3
59.01388	6.1
60.99313	13.5
61.98825	1.1
64.56300	0.3
69.50920	1.6
71.01385	2.5
73.02943	1.0
74.02466	0.5
75.00873	0.5
78.87096	0.3
78.95908	1.1
85.02954	0.7
87.00903	0.4
88.98815	100.0
89.02456	1.3
89.99143	0.9
93.03459	0.6
95.01429	0.3
101.02450	1.2
101.49161	0.3
108.02124	0.4
109.02953	2.5
110.93367	0.4
111.10998	0.3
113.02465	1.3
119.03465	0.5
121.03028	0.4
125.64965	0.3
127.37836	0.4
132.83270	0.3
133.02972	1.1
134.03702	0.3
135.04524	0.4
137.02519	0.4
140.55658	0.3
147.04527	1.4
153.09238	0.4
159.03313	0.5
159.04523	3.0
160.03998	2.1
161.04541	0.4
179.03674	0.5
191.05595	2.3
198.47665	0.4
211.13470	0.6
227.03510	0.5
255.03029	0.7
268.09821	0.5
268.73471	0.4
269.08337	1.3
284.03381	1.0
285.04050	2.0
285.20624	0.4
291.09958	0.7
315.18228	0.4
387.20340	0.4
425.20218	0.3
446.68616	0.4
447.09106	1.9
447.21375	0.4
447.26172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.1
59.01381	9.6
61.98834	2.7
69.03465	1.5
69.04363	4.8
69.04792	3.4
69.64949	1.1
71.01391	2.6
73.02962	1.8
81.03454	2.1
83.01386	9.0
87.00873	1.7
89.02486	2.9
93.03448	1.3
97.02938	1.5
98.21899	3.1
109.02966	4.8
111.00861	2.3
113.02441	1.6
121.02978	2.1
123.04528	2.7
125.02457	27.8
133.02995	1.9
135.04538	4.3
136.04926	1.8
137.02452	22.8
137.03351	1.0
137.08546	1.3
138.02798	1.6
139.04013	1.8
145.02971	1.4
151.03957	2.1
161.02475	5.5
162.02879	2.1
164.98746	5.4
167.01654	1.4
167.03474	1.3
175.03973	1.5
179.00179	2.5
179.03519	3.0
194.99829	1.5
196.97734	1.6
197.02742	3.7
206.99744	23.9
211.02863	2.5
218.99843	1.3
220.97754	3.5
221.01323	3.4
221.60158	1.5
221.98421	7.4
223.29156	1.2
234.99290	1.5
237.00818	6.4
238.98772	2.2
246.99190	1.7
249.00810	31.1
250.01270	1.9
255.03444	1.1
259.02832	5.0
261.00763	1.2
262.96127	1.4
273.00745	1.4
273.04401	2.7
275.02429	1.6
277.00357	3.0
277.03998	5.2
279.01965	4.1
280.99817	2.6
283.02856	7.8
285.00797	2.1
285.03934	1.5
286.01651	1.3
286.73328	1.3
287.02164	1.5
289.07233	2.1
299.02438	1.7
301.04013	11.8
302.04172	1.3
303.01880	3.2
309.00784	1.8
319.05081	1.9
325.03900	2.5
327.01895	16.1
343.05005	13.1
345.02927	5.2
347.00748	1.7
351.01917	1.5
358.58786	1.4
359.00998	9.7
359.07941	2.0
360.01282	2.2
369.02826	5.8
387.03979	100.0
388.04395	5.9
447.13974	4.4
447.19229	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	447.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44330	1.0
59.01388	7.5
65.00349	1.0
69.10843	4.1
69.11264	3.2
91.72612	1.1
95.04989	1.8
101.02488	1.7
107.01337	1.9
109.02969	5.2
113.02409	1.1
121.02892	3.1
123.04533	6.5
133.02963	7.4
149.02409	3.2
151.00317	4.2
151.03909	1.5
161.02370	3.5
169.06473	1.8
170.03705	1.1
171.04512	2.3
174.03360	1.3
175.04048	7.0
183.04457	2.3
187.03973	1.3
191.03458	3.0
195.04427	1.3
196.05296	2.4
197.06035	2.3
198.03113	1.6
199.03999	8.4
200.04710	1.0
201.01953	4.9
203.03467	1.1
204.18506	1.2
209.05896	1.4
209.79573	1.3
211.03926	3.9
212.04666	1.4
213.05469	1.5
214.02628	1.2
215.79454	0.9
217.04913	2.0
219.02882	4.1
223.04056	2.0
223.20027	1.1
224.04794	1.6
225.05431	2.0
226.02660	2.5
227.03500	14.6
228.04111	1.8
235.03911	1.1
239.03401	2.9
240.04228	2.2
241.04953	3.1
243.02937	10.1
249.05389	1.3
251.03284	2.8
253.04935	4.2
255.02989	40.0
256.03641	4.9
265.05167	1.9
267.02927	8.7
268.03772	7.5
269.04315	4.6
271.02383	2.2
279.02829	2.5
281.04349	3.0
282.01663	7.3
283.02438	7.5
284.03287	30.2
285.04053	100.0
286.04501	5.4
293.04544	2.3
295.02481	25.1
296.03250	21.1
297.04007	20.5
298.04059	1.6
300.02634	3.0
301.03369	2.3
309.03946	6.2
310.04572	1.6
315.06616	1.1
323.01959	9.4
325.03574	6.5
328.02414	1.5
337.03397	4.4
338.04031	2.4
361.06879	2.4
377.06592	5.6
387.04846	1.8
401.06165	1.1
403.07904	2.6
405.06143	20.1
406.06287	2.3
419.07339	3.9
429.05884	3.9
447.07413	75.1
448.07315	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0727
Annotation	XL147
Peak:m/z	Relative Intensity
53.29641	0.4
59.01382	1.3
59.23656	0.3
69.08523	2.6
70.78062	0.4
71.29866	0.4
76.97772	0.3
82.18203	0.4
82.46458	0.4
95.04996	0.4
109.02983	1.3
117.80463	0.4
123.04547	5.0
131.10120	0.5
151.04051	1.5
167.05133	0.9
175.03914	0.4
183.04507	0.7
195.04529	1.5
196.05341	0.5
210.03212	0.4
211.03975	2.8
212.04601	0.5
223.04015	2.7
223.17030	2.0
224.04718	0.6
226.02660	0.5
227.03326	0.5
237.01886	0.5
239.03506	6.6
240.04274	2.2
241.04916	0.4
247.88101	0.4
250.02736	0.5
251.03505	2.2
252.00563	0.6
255.02962	0.6
265.01462	1.2
266.02234	1.4
267.02991	13.6
268.03772	6.8
269.04456	0.8
281.04611	0.6
282.01740	4.4
283.02426	2.6
284.03268	1.8
285.04083	4.9
285.07028	0.6
286.04486	0.4
293.00977	1.6
293.04242	0.5
294.05460	0.6
295.02502	63.7
296.03204	22.9
297.03894	4.3
309.04086	1.7
322.01147	0.5
323.01984	7.8
324.02432	1.0
325.03564	1.6
328.01834	0.7
337.03699	1.2
338.04358	0.7
339.04803	0.4
403.08350	1.1
429.06009	0.7
447.07239	100.0
448.07526	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	447.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81683	3.6
59.01387	81.5
61.98829	10.5
67.48438	3.4
71.01389	78.9
73.02961	28.7
83.01434	5.7
85.02970	23.6
87.00869	6.8
89.02451	70.8
93.03477	14.7
97.64787	3.8
99.00906	18.1
101.02448	44.4
111.00893	4.2
113.02464	20.1
116.17832	3.7
119.03526	8.2
119.05095	4.7
121.06625	11.4
125.02457	11.8
131.03532	13.7
133.02977	100.0
134.03351	4.7
136.52734	3.7
137.09796	4.7
143.05026	11.0
149.04568	26.0
157.06609	25.2
161.04585	15.3
161.05959	4.0
165.05566	11.2
180.05914	6.0
183.04622	5.5
185.06079	8.8
187.04074	6.1
191.05624	8.6
197.06171	4.8
201.05603	12.4
211.13509	7.4
214.02646	9.1
231.08095	3.9
233.06189	5.1
245.09753	38.1
247.07751	10.4
247.13345	9.5
248.08347	12.2
248.10649	4.0
249.09145	10.3
255.08163	5.2
261.05652	6.3
263.10770	75.4
264.10959	5.3
273.09195	59.6
274.09729	6.3
275.07211	18.8
276.07907	21.5
279.06516	4.1
284.03439	4.8
285.04044	12.1
289.08643	10.5
291.10318	89.3
292.10669	9.4
307.09851	46.8
315.18167	24.0
317.08264	15.5
335.09305	53.1
336.09631	5.7
379.08206	29.1
447.09479	10.5
447.22226	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0938
Annotation	Quercetin-7-O-rhamnoside
Peak:m/z	Relative Intensity
59.01077	0.5
59.01384	9.2
61.98820	0.7
63.02408	1.4
65.00339	1.1
65.00648	0.3
71.34398	0.4
73.02946	0.4
83.01398	0.8
84.10794	0.3
85.02949	1.7
87.00893	0.5
89.02461	1.1
93.03483	0.6
101.02481	1.2
105.03454	0.5
107.01399	2.4
109.02978	0.6
113.02464	1.0
119.03530	0.4
121.02950	1.3
133.02977	4.4
134.03726	1.0
135.00848	0.4
148.01697	0.5
148.04083	1.0
149.02420	1.2
149.04362	0.3
151.00383	4.8
159.04507	0.3
161.04561	1.0
165.75020	0.3
173.21356	0.2
174.03221	0.3
175.04060	1.6
183.04546	1.3
184.05240	0.3
184.92159	0.3
185.06038	0.5
187.03990	0.4
188.04773	0.2
191.05629	9.1
197.06128	0.4
198.03287	0.3
199.03952	1.7
200.04799	1.0
201.01984	0.5
203.77936	0.2
211.04010	1.8
212.04613	0.3
217.05080	0.8
227.03523	2.4
228.04353	0.3
229.05034	0.6
239.03580	0.7
241.05084	0.7
243.02928	0.4
255.02997	1.8
256.03781	4.2
257.04425	0.7
283.02426	0.5
284.03287	57.5
285.04050	100.0
286.04410	7.3
297.04123	0.5
327.05124	1.2
387.20233	1.6
398.82562	0.3
447.09344	66.7
448.03394	0.4
448.09695	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	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34402	0.5
59.01315	3.9
59.73795	0.6
60.97531	0.6
61.98763	1.9
61.99044	0.6
63.02338	2.7
63.76324	0.6
65.00259	8.2
71.01334	1.3
83.01399	5.8
93.03484	3.9
107.01402	19.1
108.02180	0.7
109.02903	1.2
113.17664	0.5
121.02972	14.0
123.04494	1.1
124.01569	1.7
125.02406	1.4
133.02885	1.6
136.01613	1.0
139.03976	1.0
148.01624	1.7
149.02371	2.3
149.99547	0.7
151.00391	68.5
152.00642	2.0
161.02403	1.0
163.00354	1.5
164.01077	2.4
167.05029	0.7
169.01451	1.1
175.03932	1.2
178.99876	4.1
180.00128	0.7
183.04495	1.0
187.03857	0.8
188.04738	0.6
192.00586	1.1
193.01237	1.4
199.03975	1.6
201.05621	0.8
211.04025	1.6
214.02798	0.7
215.03477	0.9
216.04263	1.0
227.03497	3.2
228.04167	1.3
229.05014	2.0
238.02957	0.6
243.02965	4.1
244.03542	0.8
245.04436	1.2
255.02982	8.9
256.03610	1.6
257.04556	1.2
267.02951	1.5
269.04514	1.4
271.02509	3.3
272.03055	0.7
273.04089	2.6
282.01831	1.4
283.02594	2.7
284.03287	11.5
285.04053	23.7
286.04431	1.8
295.02499	8.9
296.03113	2.9
297.03912	1.7
300.02762	38.6
301.03552	100.0
302.03888	7.4
323.01877	1.6
387.04376	0.6
405.06158	4.1
445.69284	0.6
447.09393	84.4
448.09766	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
60.47207	0.6
61.98820	0.6
63.02393	1.4
63.31362	0.6
65.00317	1.3
69.38153	2.0
69.38556	1.1
83.01389	1.4
93.03465	0.7
95.72279	0.6
98.21929	0.8
98.92491	0.6
100.78399	0.6
107.01404	5.3
108.02171	1.9
109.02979	4.0
115.22845	0.6
119.01417	0.8
121.02977	4.1
125.02423	1.1
133.03015	0.7
135.00844	1.3
137.68559	0.6
148.01683	1.5
149.02495	0.7
151.00381	19.6
159.04524	1.2
161.02521	1.0
163.00377	5.2
164.01160	1.3
169.01442	0.8
173.05992	0.8
178.99878	8.5
183.04575	1.2
185.06012	0.6
187.04013	1.2
192.00612	0.7
199.03973	1.9
201.05573	1.1
211.04042	2.1
215.03587	1.4
216.04337	0.7
226.02840	1.3
227.03528	5.8
228.46172	0.6
229.04924	1.5
239.03683	0.8
243.02995	11.0
244.03421	1.1
245.04604	3.0
254.02254	2.2
255.03008	35.1
256.03522	3.2
271.02496	55.5
272.02921	5.3
273.03989	1.9
283.02533	3.1
284.03305	11.1
285.04068	12.3
299.02069	1.9
300.02771	100.0
301.03519	85.7
302.03885	5.9
447.09369	82.7
447.88116	0.7
448.09717	10.8
465.69678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45532	0.2
59.01384	2.1
59.91566	0.3
61.98832	4.5
65.00325	1.0
68.45718	0.2
69.15356	1.7
71.01378	0.6
73.02950	0.3
75.16119	0.3
83.01391	0.7
85.02946	0.3
86.08472	0.2
89.02467	0.4
98.22598	0.6
101.02415	0.5
107.01391	1.9
119.05040	0.8
121.02995	0.3
133.02966	7.8
135.04568	0.4
137.95880	0.3
149.02449	1.7
151.00377	5.6
160.04057	0.4
172.60396	0.2
175.04041	2.4
185.06015	0.3
191.05576	0.7
198.03180	0.4
199.04025	2.2
201.01978	0.7
213.05583	0.5
215.03601	0.3
217.05127	1.4
217.06917	0.2
227.03630	0.4
229.05063	0.4
241.05159	0.9
243.03014	0.8
255.02942	0.7
256.03772	2.3
257.04276	0.6
267.02896	0.3
284.03290	3.8
285.04071	100.0
286.04413	6.9
293.01746	0.3
300.02823	0.5
374.10831	0.3
447.09363	19.0
447.22107	0.6
448.09753	2.3
448.19452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35505	0.8
59.01380	10.4
61.98822	2.2
63.02403	1.3
69.11153	4.1
73.02933	0.7
83.01442	0.7
87.00851	3.0
89.02431	1.2
98.22749	1.1
101.02425	0.8
107.01407	2.3
113.02476	1.2
121.02990	0.7
125.02422	0.9
133.02979	2.2
135.43837	0.6
148.16092	0.6
149.02454	0.9
151.00404	4.3
161.02432	0.8
169.56087	0.7
181.12352	3.0
183.04489	1.6
183.10240	0.6
199.04030	0.8
211.04070	1.8
225.11234	1.2
227.03510	51.7
228.03906	3.9
229.05043	1.0
232.07002	0.7
239.03539	0.6
255.02994	66.4
256.03647	12.2
268.03659	0.9
269.04605	2.1
269.07864	0.9
270.50037	0.6
284.03278	78.9
285.04025	68.6
285.07312	1.5
285.13593	1.8
286.04407	5.2
299.09256	0.9
300.02902	1.0
301.03461	0.8
314.11609	2.0
327.05206	1.3
329.13849	2.3
341.14175	0.7
447.09341	100.0
448.09583	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15332	0.2
59.01369	0.5
61.98813	0.3
62.96416	1.4
69.62175	0.2
70.95268	0.3
78.95910	41.1
83.79617	0.2
90.33073	0.2
93.09412	0.2
96.96968	2.7
141.58626	0.2
149.00102	19.6
158.92552	2.0
179.01143	2.5
205.15990	1.3
240.96815	0.4
267.11685	0.5
284.03363	0.7
285.04092	1.3
315.25357	0.4
333.06519	0.2
347.08145	0.4
417.12772	1.1
431.10294	2.4
432.10840	0.4
447.13467	100.0
448.13806	9.5
448.20047	0.5
464.10162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71942	0.3
59.01388	1.9
61.98836	2.3
63.47118	0.3
70.00941	1.1
72.99313	2.9
75.00874	4.5
78.34830	0.3
90.11254	0.3
92.03326	0.4
104.03571	0.5
105.01947	100.0
106.02280	1.1
118.95502	0.3
162.93988	0.4
165.24277	0.3
190.06190	0.4
194.00017	0.3
209.03249	0.4
211.53543	0.3
408.63062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80585	34.5
55.16719	35.1
59.01381	100.0
61.57650	35.9
65.60323	36.2
70.05865	56.1
70.06207	77.0
73.16311	34.9
77.08466	33.9
143.79897	33.2
156.44084	37.8
178.31607	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	447.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91598	41.7
54.60350	47.0
59.01368	75.8
98.21807	100.0
108.69794	42.0
109.89053	46.1
114.83746	49.0
126.21157	56.4
133.78166	50.3
152.99612	76.0
186.74142	48.0
249.18393	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
57.03442	7.0
57.79421	1.4
58.00603	1.6
59.01384	100.0
61.98826	2.5
63.07255	1.4
64.27618	1.2
66.15896	1.4
68.03183	1.3
69.03467	3.5
71.01388	100.0
72.01736	1.4
72.99326	2.0
73.02953	31.7
83.01382	14.3
85.02960	34.6
87.00884	6.2
89.02452	65.3
95.01401	4.6
97.02946	3.7
99.00906	11.1
101.02451	67.9
105.23272	1.4
111.00919	5.4
113.02450	29.5
115.04033	2.0
119.03529	4.0
125.02450	7.6
129.01945	1.7
131.03514	31.2
143.03502	5.1
148.05905	1.4
149.04567	25.4
159.03012	6.0
161.04582	35.0
179.05563	2.2
191.05632	4.3
203.05487	1.5
211.13367	2.8
221.45651	1.5
233.06735	3.7
284.03165	2.0
285.04102	3.7
293.08777	1.6
315.18124	50.2
316.18399	3.4
316.81424	1.4
447.22348	96.5
448.22546	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	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.70971	0.5
53.93550	0.6
55.01883	6.2
56.51396	0.5
57.03459	5.3
58.00598	1.4
59.01384	94.4
60.01711	1.5
61.98838	1.3
64.85674	0.5
66.86870	0.5
68.99788	0.6
69.03461	3.8
69.27011	3.0
70.52343	0.6
71.01388	100.0
72.01730	2.2
72.99320	2.5
73.02953	25.4
75.00896	1.1
80.24434	0.6
81.03461	1.2
83.01394	13.0
84.02960	0.6
85.02959	32.4
87.00887	5.6
87.04490	0.7
89.02453	62.8
90.02779	0.9
91.87559	0.5
95.01424	4.3
97.02966	5.0
98.21935	0.9
99.00892	10.2
101.02453	61.2
102.02789	1.4
111.00902	5.6
113.02463	27.7
115.04077	1.8
119.03513	4.5
125.02469	7.4
129.01964	1.5
131.03519	29.7
143.03525	5.5
146.61656	0.6
149.04572	17.0
159.03032	4.6
161.04572	37.7
162.04926	1.3
182.95389	0.6
191.05615	6.7
211.13422	6.0
215.05667	0.9
221.91240	0.6
233.06653	3.7
237.14954	0.8
253.09340	0.8
293.08847	2.7
307.45013	0.6
315.18152	26.3
316.18488	2.4
447.22336	46.1
448.22723	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	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38797	0.6
55.01881	1.4
55.38420	0.6
57.03450	1.4
58.00598	1.5
59.01386	100.0
60.01738	0.9
69.03472	1.4
69.90604	1.2
71.01392	58.3
72.01729	0.8
72.99331	0.9
73.02956	18.5
83.01408	3.0
85.02970	8.2
87.00907	1.6
87.61730	0.6
89.02456	99.9
90.02788	1.1
95.01399	2.0
97.02987	1.8
99.00890	21.1
101.02456	39.5
111.00916	0.7
113.02471	17.0
114.02787	0.6
119.03516	16.8
125.02463	4.7
131.03520	17.3
131.04471	1.1
143.03534	3.0
149.04575	53.5
150.04921	1.5
151.72560	0.6
161.04559	4.6
179.05629	6.6
189.21857	0.6
191.05646	13.1
221.06657	1.8
233.06721	1.0
238.66211	0.6
251.07704	2.8
447.22394	20.0
448.22699	2.0
457.83237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.4
57.03452	2.2
57.45752	0.2
58.00585	0.6
59.01384	19.2
69.03465	0.6
69.25037	1.5
69.92855	0.2
71.01386	37.9
72.01733	0.5
72.99311	0.8
73.02950	20.5
73.74024	0.2
75.00889	0.8
79.01894	0.3
81.03443	0.5
83.01391	7.1
85.02956	19.0
86.00081	0.5
86.03288	0.4
87.00885	2.3
89.02453	6.7
95.01398	2.6
97.02966	2.2
99.00887	6.5
99.04566	0.5
101.02451	35.5
102.02801	0.4
111.00914	0.8
113.02459	16.7
115.04015	1.4
125.02441	2.1
129.01933	1.2
131.03506	1.7
141.02022	0.3
143.03482	2.0
149.04558	1.2
153.12871	0.5
159.02994	4.2
161.04570	18.6
162.04939	0.7
191.05606	0.4
211.13426	0.3
233.06737	1.2
285.03922	0.4
293.08871	0.6
315.18137	36.3
316.18542	2.7
335.81461	0.3
359.17084	0.3
447.22372	100.0
448.22668	10.2
465.36398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07171	0.6
57.03436	0.7
59.01385	100.0
60.01735	1.3
61.98837	3.9
63.16834	0.6
67.33807	0.6
69.08604	4.8
71.01386	12.0
71.32778	0.5
73.02960	2.0
74.47182	0.5
83.01392	1.2
85.02954	3.0
89.02452	9.1
95.01411	1.0
101.02458	7.3
102.43739	0.5
105.01997	0.8
113.02464	5.5
119.03528	3.5
127.03987	0.6
137.09747	0.7
143.03535	1.5
149.04559	0.7
151.00400	1.0
153.09219	0.6
161.04578	6.2
161.45840	0.6
179.05684	2.3
189.12898	0.8
191.05666	1.5
207.13792	0.9
225.15070	1.6
225.33809	0.6
227.03561	6.0
229.04967	0.7
243.39366	0.7
255.02998	7.8
256.03778	0.9
271.02618	2.3
284.03256	5.4
285.04138	4.0
300.02826	3.4
301.03619	2.1
357.19281	3.9
360.11157	1.7
387.20380	4.2
447.09323	8.4
447.22546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29456	0.6
59.01384	100.0
61.98845	3.2
69.42174	1.3
69.42581	1.9
71.01389	6.0
71.01682	0.5
73.02959	1.0
85.03001	0.7
87.00884	0.6
89.02451	8.0
101.02451	3.4
112.20892	0.6
113.02474	2.4
119.03485	3.5
122.48878	0.6
143.03574	1.0
145.13226	0.7
161.04614	1.7
167.41916	0.7
179.05699	2.4
189.12964	1.4
191.16188	0.6
387.20468	1.9
447.22922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03460	1.6
59.01384	100.0
60.01726	0.7
61.98825	2.7
71.01390	15.9
71.05034	0.8
73.02947	4.8
73.03252	0.4
81.03446	0.6
83.01402	1.6
85.02949	5.9
87.00905	1.3
89.02455	8.9
93.03488	0.9
95.01414	1.1
95.05061	0.8
97.02973	1.1
99.00888	1.4
101.02447	11.1
101.68134	0.5
105.01950	0.8
109.60638	0.5
113.02454	7.8
119.03521	3.9
125.02478	0.6
135.08266	0.7
138.06886	4.9
143.03522	1.8
150.03232	0.6
151.00443	0.9
151.04070	0.5
153.09216	19.1
154.09605	0.6
159.03035	2.2
161.02580	0.6
161.04575	14.5
162.04994	0.5
165.05569	0.7
175.42912	0.4
178.99986	0.5
179.05620	2.6
181.71167	0.5
191.05634	4.0
197.08318	1.8
207.13956	1.2
211.04324	0.5
225.14977	33.7
226.15431	2.0
227.03618	1.3
228.98323	0.5
255.02847	0.9
273.04077	1.1
284.03561	0.9
285.04214	1.1
285.09949	1.6
301.03571	0.7
365.18280	1.1
387.20279	13.1
388.20728	2.0
419.10071	0.9
447.09558	1.1
447.22626	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93016	0.8
57.03467	1.2
59.01386	100.0
64.59238	1.0
69.34331	4.7
71.01388	19.9
71.05050	1.3
73.02952	5.5
83.01418	1.1
85.02980	5.4
89.02453	7.0
99.00912	1.2
101.02450	12.0
113.02477	8.8
119.03532	4.2
138.06885	6.0
143.03479	1.8
153.09221	21.3
154.09575	1.0
159.02983	1.6
161.04578	24.6
162.04901	1.0
179.05624	2.3
207.13957	1.6
225.14987	46.5
226.15384	3.5
337.51337	1.0
350.22928	1.0
387.20322	24.2
388.20667	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01384	100.0
61.98850	1.3
63.22409	0.9
65.52214	0.9
68.72791	1.0
69.06776	0.9
69.33054	4.5
71.01388	16.7
73.02959	3.2
83.01400	2.7
84.63098	1.0
85.02970	5.6
87.00844	1.0
89.01945	1.4
89.02454	14.5
89.95054	1.0
95.01416	1.2
101.02449	12.6
103.90480	1.0
113.02453	6.2
119.03528	8.0
125.02464	1.4
131.03488	0.9
137.44235	1.0
143.03494	2.0
150.14198	0.9
155.85210	0.9
159.03087	1.2
161.04550	6.3
179.05624	2.2
181.05074	2.9
189.12848	1.6
196.07509	1.4
202.64420	0.9
211.09709	2.2
225.14977	1.9
263.28244	1.0
387.20288	31.4
388.20691	2.4
460.63794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
57.03463	0.6
59.01384	100.0
60.01716	1.2
62.33770	0.4
62.36424	0.4
67.66570	0.4
71.01387	8.8
73.02953	2.3
76.11578	0.4
82.73624	0.5
83.01421	1.0
85.02954	3.9
87.00922	0.6
89.02454	6.1
91.33632	0.4
95.01377	0.6
98.21864	0.8
99.00908	1.0
101.02449	6.3
113.02461	5.0
116.96992	0.4
119.03527	3.2
143.03494	0.9
155.10793	0.5
159.03061	0.7
161.04567	6.6
179.05681	1.5
186.43788	0.5
191.05698	0.5
207.14085	0.5
225.14978	2.3
241.41830	0.4
244.79352	0.4
246.89932	0.4
267.16202	0.5
269.36383	0.4
284.03320	1.1
285.04230	1.7
315.18283	1.6
340.63501	0.4
342.71866	0.4
387.20255	7.9
388.20633	0.7
447.09372	1.1
447.22064	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98478	0.4
61.98835	0.5
66.93117	0.4
67.93079	0.3
70.73779	0.5
74.36625	0.3
78.60223	0.3
80.16614	0.3
105.03528	0.3
107.05036	0.5
117.03485	1.3
121.20567	0.3
132.02182	1.1
133.02968	22.7
134.03775	9.4
135.04538	30.2
136.04858	1.0
137.02502	1.7
152.99562	0.6
161.02460	100.0
162.02808	4.1
178.02740	1.0
179.03506	10.2
179.34302	0.3
180.03838	0.5
267.19626	0.7
285.20746	10.1
286.20956	0.8
429.22858	2.9
447.23898	55.4
448.24225	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	447.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44833	0.3
59.01388	0.3
74.10977	0.3
78.95905	0.5
107.05033	0.6
117.03476	1.4
121.02992	0.5
132.02194	0.7
133.02969	20.1
134.03786	7.0
135.04543	27.5
136.04861	1.2
137.02467	2.0
139.04024	0.5
141.12898	0.3
152.99657	0.7
161.02458	100.0
162.02794	3.8
178.02730	0.7
179.03517	10.7
179.05099	0.5
180.03831	0.5
207.97237	0.3
221.19255	0.4
235.35899	0.3
267.19690	0.8
285.03894	0.4
285.20737	9.7
286.21078	0.9
373.01776	0.3
429.22821	2.0
447.23904	54.3
448.24246	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	447.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41941	0.3
59.01395	0.7
59.79963	0.3
67.90316	0.3
70.91570	0.5
78.73712	0.3
78.95911	10.6
84.19969	0.4
86.86420	0.3
87.12881	0.3
91.74871	0.4
94.99030	0.4
100.30993	0.4
110.98542	6.7
152.99608	0.4
167.01158	6.5
185.02223	3.0
261.22241	0.7
279.23318	100.0
280.23669	7.7
283.51215	0.4
447.25259	9.2
448.25531	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	447.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94704	0.3
59.54464	0.3
65.39809	0.3
69.84315	0.3
71.32130	0.6
73.71805	0.3
76.74432	0.3
78.95910	6.9
90.34411	0.3
108.35754	0.4
110.98537	5.8
162.89641	0.3
167.01152	2.9
180.01230	0.3
185.02188	3.3
196.07045	0.4
225.00836	0.7
279.23312	100.0
280.23685	8.1
447.25214	6.9
448.25873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2754
Annotation	Xenortide B
Peak:m/z	Relative Intensity
50.73617	0.6
53.13578	0.6
53.35610	0.5
54.36784	0.7
57.34583	0.6
59.01369	0.9
66.72338	0.7
67.01322	0.7
70.95831	0.8
92.10455	0.7
106.94968	0.7
107.28893	0.7
111.69936	0.7
115.97399	0.8
117.03483	42.8
118.04340	6.4
119.05042	49.9
120.05392	1.5
121.02969	9.8
123.04527	3.5
133.02991	2.7
145.02969	66.2
146.03311	2.3
162.03326	3.1
163.04015	13.4
172.95840	0.7
177.05591	6.3
244.44962	0.6
269.21268	1.4
273.06998	0.7
275.25882	0.7
284.03168	1.8
285.03973	2.8
294.78598	0.7
312.63156	0.6
415.24960	5.8
416.25272	0.9
447.27539	100.0
448.27905	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
57.03441	0.6
59.01385	7.9
60.01723	0.3
61.98834	100.0
69.03443	0.5
69.50823	1.3
71.01384	9.2
72.01746	1.0
73.02949	3.0
75.00862	0.4
83.01393	1.0
85.02946	3.7
86.03277	0.6
87.00901	1.0
89.02451	4.9
93.03466	2.6
95.01418	0.8
97.02988	0.5
99.00900	1.5
100.01176	0.4
101.02448	6.1
102.02817	0.6
111.04569	0.4
113.02455	2.6
119.03546	0.8
119.86692	0.3
125.02490	0.8
126.62631	0.3
129.01938	0.4
129.99420	0.3
131.03506	2.1
132.03880	0.4
134.03737	0.4
135.04491	0.5
143.03534	0.5
149.04570	1.3
159.03049	0.8
161.04584	4.5
162.04916	1.0
173.04602	1.4
183.07361	0.3
191.05685	1.2
210.03532	0.4
221.05986	0.3
223.90956	0.3
233.06786	0.4
315.18069	2.0
316.18600	2.0
343.11670	0.3
447.22327	2.1
448.22510	4.0
449.14828	0.9
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
57.03449	0.5
59.01386	24.0
61.98835	100.0
69.67585	1.5
69.67975	1.1
70.40413	0.6
71.01399	0.8
75.60287	0.6
83.01401	0.9
88.05733	0.7
88.99384	0.6
93.03476	0.7
108.02306	0.7
109.02966	3.9
120.99679	1.5
121.03000	2.5
123.04533	0.7
124.01708	1.5
125.02440	6.3
135.04465	0.6
137.02434	6.4
147.04613	1.5
149.02469	2.2
150.03252	1.1
153.01910	0.9
153.05640	0.9
158.03740	0.7
159.04507	0.8
161.02478	2.4
164.01160	0.8
165.01924	3.3
172.05336	1.4
173.06108	2.1
174.63229	0.7
175.04033	4.1
177.01906	4.4
189.05600	1.7
191.07146	0.9
201.05598	2.9
203.03647	1.0
212.07027	1.9
215.07138	1.0
217.05197	1.4
227.09242	3.3
241.05202	1.0
243.06754	2.5
258.05490	0.9
259.06116	14.3
269.04526	1.1
287.05618	10.8
311.05771	1.6
358.62430	0.6
388.04553	1.3
413.02304	0.7
421.11447	1.0
449.10983	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	448.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.6
61.98834	100.0
63.02411	0.5
65.00339	2.1
71.01405	1.2
71.41479	0.6
73.02949	0.9
75.34800	0.5
83.01410	1.6
85.38943	0.5
87.00899	0.7
89.02466	0.5
101.02479	1.3
107.01429	3.1
109.02970	1.7
109.49316	0.5
110.68365	0.6
121.02995	0.6
123.04567	0.5
125.02480	1.8
133.02965	5.5
133.03879	0.5
134.03374	2.1
135.04530	12.8
135.05495	0.7
137.02438	0.6
137.09729	0.8
139.07690	1.1
148.67230	0.6
149.02480	0.6
151.00380	22.1
151.03882	0.5
152.00780	1.4
153.01958	0.7
155.10783	12.4
155.12029	0.6
160.04076	2.3
161.02493	0.9
164.01207	0.6
168.88853	0.5
171.10326	1.3
172.10620	0.6
175.04031	0.9
176.04427	1.7
177.01984	0.8
199.03969	0.8
199.09749	5.0
200.04449	0.8
218.05399	0.7
228.03949	0.7
243.03017	1.4
244.03368	1.3
255.02890	2.9
256.03525	3.0
257.04407	1.6
269.04501	1.3
283.02393	1.1
284.03351	2.3
285.04022	28.8
286.04410	52.2
287.05603	14.3
294.82523	0.5
295.02591	1.0
296.03085	1.6
297.03928	1.6
339.05203	0.8
406.06638	1.1
407.07724	6.3
407.12451	0.7
448.09683	17.9
449.10370	6.5
449.20547	7.2
449.26923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43274	0.4
57.03455	1.9
59.01383	14.8
60.01707	0.7
61.01802	0.4
61.98834	100.0
63.61389	0.3
65.00302	0.4
69.27170	0.8
69.27577	1.4
71.01404	1.1
75.70947	0.4
83.01398	0.5
89.02466	1.8
98.13522	0.4
98.21950	0.7
101.02467	0.6
107.01437	0.9
113.02478	0.5
117.03480	0.3
119.03526	0.8
125.02458	11.8
149.02481	1.2
151.00371	2.6
152.01157	0.4
153.01939	0.5
165.05640	0.4
177.05627	0.5
178.99928	1.1
179.03568	0.4
179.05647	0.7
196.21519	0.4
197.06082	0.5
201.05618	0.4
215.07169	0.8
225.05627	0.8
243.06667	0.7
259.06137	7.8
259.08646	0.6
269.04553	8.5
287.05630	7.4
439.25146	0.4
449.10934	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	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.8
60.01711	0.5
61.98836	100.0
69.08747	2.7
71.01395	4.1
73.02958	1.0
74.02466	0.5
83.01393	0.7
85.02982	1.6
87.00899	0.7
89.02457	2.6
90.02805	0.5
93.03500	0.8
99.00950	0.5
101.02448	3.2
113.02464	1.4
119.03548	1.6
126.72366	0.5
137.02409	0.7
138.03241	0.5
149.04482	0.4
153.05615	0.5
153.09224	0.7
154.09596	0.9
155.10834	1.2
161.04610	1.9
162.04985	0.6
191.05592	2.7
192.06088	0.9
198.08681	0.6
199.09866	1.0
213.25331	0.5
218.85042	0.4
227.03499	0.5
281.06714	0.9
286.10199	1.0
287.11313	1.0
388.20667	1.5
389.21860	4.1
401.12497	1.5
407.37473	0.4
431.13882	0.5
448.09827	0.6
448.22809	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	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65022	0.3
57.03461	0.5
59.01387	30.1
60.01714	2.5
61.01823	0.6
61.98838	100.0
69.07970	0.7
69.08366	1.9
69.97807	0.3
71.01395	2.6
72.01707	0.6
73.02949	0.4
75.10604	0.3
83.01412	0.6
85.02949	0.7
89.02460	2.2
101.02463	1.7
102.02810	0.4
113.02480	1.2
114.02783	0.4
119.03558	0.7
125.02475	4.1
139.36485	0.3
151.00412	0.8
151.27693	0.3
154.94923	0.3
161.04582	1.9
166.06677	0.3
178.99940	0.4
179.03531	0.5
179.05667	0.5
215.90276	0.4
259.06149	3.2
269.04611	2.5
287.05588	2.8
381.80554	0.3
387.20303	0.6
388.20523	1.5
389.21475	0.4
449.10907	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	448.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20966	8.2
53.15221	7.5
59.01387	100.0
61.98837	13.4
63.58239	9.1
69.66791	30.7
71.01386	35.7
73.48114	8.7
78.43034	11.2
89.02479	50.4
101.02478	19.3
113.02436	16.2
119.03477	12.2
148.28850	8.5
161.04607	13.9
165.05521	8.5
167.10776	18.3
179.05635	10.5
213.10114	10.7
247.91762	8.9
276.48358	10.0
310.42496	8.8
405.21210	13.5
431.97626	9.1
449.20450	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	449.1089
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.81370	0.5
55.01882	0.7
55.80771	0.5
57.03446	9.0
59.01384	95.4
60.01712	1.6
61.01805	1.6
61.98834	100.0
62.98546	1.1
62.99249	0.5
63.02407	0.8
63.99265	0.7
64.94498	0.4
65.00335	2.1
67.01886	0.5
67.75678	0.5
71.01011	0.8
71.01386	7.3
73.02953	1.2
77.55148	0.4
81.03479	2.5
83.01395	5.9
85.02946	2.7
89.02454	6.4
93.03470	1.7
95.01409	0.6
97.02957	1.6
101.02447	4.4
107.01402	4.9
107.05045	0.8
109.02957	0.7
113.02441	3.2
116.43969	0.6
117.03450	1.1
119.03512	2.3
123.04527	1.7
124.01682	0.8
125.02455	72.1
126.02815	1.1
133.02986	1.3
135.04573	0.9
139.04028	1.7
143.03508	0.5
145.03133	0.5
149.02452	7.1
151.00378	16.7
151.25182	0.5
152.01175	4.1
152.67920	0.5
153.01930	5.4
154.09602	0.6
155.05103	0.6
156.05882	0.6
157.06538	1.0
158.03789	0.8
159.04510	0.5
161.04572	4.8
163.00359	1.0
165.01952	1.1
167.03560	1.0
169.06555	0.5
172.05310	1.2
173.06075	3.1
175.04031	0.9
176.01161	1.5
177.05591	2.2
178.99866	9.3
179.03448	4.2
179.05620	1.0
180.00610	1.5
180.05807	0.6
181.01541	0.6
181.06551	0.8
183.04610	0.5
189.05864	0.5
196.05281	0.5
197.06099	1.5
199.04057	0.6
199.07697	0.8
201.05571	2.1
213.05717	0.7
215.07184	3.5
225.05618	3.3
228.15128	0.5
240.04068	0.5
241.05063	1.4
243.06641	3.8
259.06128	53.1
260.06396	2.8
269.04565	48.8
270.04892	3.4
283.05920	0.5
287.05630	44.6
288.06009	2.4
290.49146	0.5
311.05542	1.5
312.98422	0.6
317.19681	1.0
342.05847	2.0
389.21866	3.6
421.11606	0.9
431.09747	1.7
449.10901	52.2
450.11105	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	449.1094
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.03437	0.6
59.01382	9.0
61.98555	0.6
61.98835	8.2
63.02391	1.3
65.00021	0.7
65.00332	9.0
69.15967	1.7
69.16389	2.0
71.01376	2.7
71.12481	0.5
73.02955	1.0
75.00888	0.5
76.17820	0.5
83.01398	5.0
85.02939	1.8
89.02432	1.7
101.02469	2.8
107.01402	17.8
108.02230	0.9
109.02981	5.2
112.54121	0.5
113.02460	1.2
113.38888	0.6
121.02940	0.8
123.04533	0.9
125.02439	5.0
133.02937	1.2
134.03725	1.2
135.04541	69.1
136.04890	2.9
137.02426	0.8
149.02429	0.6
151.00388	100.0
152.00728	3.2
155.10818	6.1
159.04578	0.6
160.04099	0.7
161.02425	2.8
161.04524	2.9
164.01198	0.7
165.01926	0.7
168.57910	0.5
169.01459	1.7
175.04025	0.9
177.01967	2.0
189.02048	0.8
193.01457	0.5
199.09787	2.7
213.05589	0.8
217.01637	0.7
225.05704	1.0
227.03574	1.4
228.04373	1.1
238.02745	0.6
239.03528	0.5
243.03065	2.0
255.03035	7.5
256.03647	2.9
257.04581	1.4
269.04507	2.7
283.02591	1.4
284.03156	0.8
285.04001	4.2
286.04312	1.2
287.05649	69.3
288.05978	4.4
297.04019	1.4
297.09756	1.1
321.04190	0.6
339.05206	2.8
389.21988	1.5
407.07703	15.2
408.08218	1.4
417.06323	1.6
449.10944	19.0
449.20529	2.3
449.27649	0.7
450.11227	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	449.11
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
59.01381	7.5
61.98829	2.8
63.02416	1.6
65.00320	6.7
69.55846	2.4
69.88471	0.5
71.01398	2.4
73.02933	0.9
76.49775	0.5
83.01395	3.4
89.02473	1.8
93.03444	3.4
98.21928	0.9
101.02475	2.0
102.27456	0.6
102.78223	0.6
105.03549	0.6
107.01395	15.0
108.02256	3.1
109.02975	2.8
113.02482	1.1
118.65504	0.6
121.02982	0.7
123.04514	1.4
125.02450	3.1
133.02968	3.6
134.03296	1.4
134.03499	1.4
134.03828	1.1
134.04784	0.6
135.04536	49.3
136.04840	1.7
137.02420	5.0
149.02438	1.6
151.00381	63.8
152.01083	5.2
153.00822	1.4
161.02457	2.0
161.04507	1.3
167.03497	6.7
175.00395	4.3
175.03955	1.0
176.04256	0.8
179.03516	0.8
183.10283	1.4
193.01414	0.8
199.04002	1.0
200.04248	0.6
201.04608	0.6
211.03984	1.2
212.04530	0.6
227.03528	1.2
255.03058	1.4
256.03735	1.8
257.04016	2.2
258.04382	2.7
269.14096	1.5
275.11435	0.6
281.06693	4.2
283.02686	0.8
284.00159	1.3
284.03265	21.3
285.03915	58.0
285.99515	0.8
286.00192	1.0
286.04099	66.1
287.05103	89.7
288.05557	5.1
318.54810	0.7
329.05890	1.7
377.08621	1.8
389.21820	2.4
448.09442	0.7
449.09937	100.0
450.10254	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	449.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.5
61.98829	2.8
63.02416	1.6
65.00320	6.7
69.55846	2.4
69.88471	0.5
71.01398	2.4
73.02933	0.9
76.49775	0.5
83.01395	3.4
89.02473	1.8
93.03444	3.4
98.21928	0.9
101.02475	2.0
102.27456	0.6
102.78223	0.6
105.03549	0.6
107.01395	15.0
108.02256	3.1
109.02975	2.8
113.02482	1.1
118.65504	0.6
121.02982	0.7
123.04514	1.4
125.02450	3.1
133.02968	3.6
134.03296	1.4
134.03499	1.4
134.03828	1.1
134.04784	0.6
135.04536	49.3
136.04840	1.7
137.02420	5.0
149.02438	1.6
151.00381	63.8
152.01083	5.2
153.00822	1.4
161.02457	2.0
161.04507	1.3
167.03497	6.7
175.00395	4.3
175.03955	1.0
176.04256	0.8
179.03516	0.8
183.10283	1.4
193.01414	0.8
199.04002	1.0
200.04248	0.6
201.04608	0.6
211.03984	1.2
212.04530	0.6
227.03528	1.2
255.03058	1.4
256.03735	1.8
257.04016	2.2
258.04382	2.7
269.14096	1.5
275.11435	0.6
281.06693	4.2
283.02686	0.8
284.00159	1.3
284.03265	21.3
285.03915	58.0
285.99515	0.8
286.00192	1.0
286.04099	66.1
287.05103	89.7
288.05557	5.1
318.54810	0.7
329.05890	1.7
377.08621	1.8
389.21820	2.4
448.09442	0.7
449.09937	100.0
450.10254	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	449.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.4
59.01384	100.0
69.03461	18.8
69.52215	9.0
71.01391	42.6
72.99292	2.4
73.02956	11.7
73.84916	2.1
83.01411	3.5
85.02966	4.5
85.23058	2.8
89.02455	70.3
99.04521	3.8
101.02463	20.3
105.01927	7.1
113.02462	47.0
117.01951	26.8
119.03527	31.0
125.02450	2.7
131.03506	21.1
133.01433	2.5
141.00443	6.1
143.03574	4.1
154.97516	7.4
155.03490	3.6
161.04547	8.2
172.97673	3.8
179.05614	39.9
182.42635	3.4
213.02577	3.3
232.47972	2.1
293.08807	4.8
315.05688	9.1
389.05725	12.8
393.81049	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	449.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	2.1
59.01387	100.0
59.56099	1.8
69.03468	17.1
69.14456	1.8
71.01390	38.1
75.48380	2.0
83.01413	2.9
85.02945	5.8
89.02456	68.0
93.67264	2.1
101.02464	20.8
113.02470	49.4
119.03521	39.3
131.03506	16.3
133.43115	2.4
143.03503	7.8
149.04623	2.3
154.53468	2.2
160.87305	2.8
161.04576	9.3
178.00693	2.0
179.04103	2.9
179.05630	42.9
196.18369	2.2
203.05702	2.8
331.04507	2.1
404.70563	2.3
410.40662	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	449.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23356	2.9
59.01384	80.3
59.35391	3.3
69.03456	3.4
71.01385	29.6
71.41265	4.1
72.99316	3.8
83.01408	4.2
85.02956	6.4
89.02455	48.1
98.99416	3.8
101.02456	14.9
105.01974	8.1
107.05037	8.6
109.02975	6.8
110.09082	3.3
113.02453	14.3
118.02985	3.8
119.03506	16.9
122.03769	4.9
125.02448	9.0
130.08685	4.3
131.07364	6.7
131.08287	100.0
131.09288	4.7
135.04524	16.5
137.02428	6.0
141.00432	6.1
146.02460	9.8
147.04518	4.3
149.02408	6.1
150.03220	40.1
158.06105	5.4
161.04553	8.0
165.01936	4.2
165.05591	96.0
166.05862	3.7
173.04407	5.8
173.08232	19.7
173.10475	81.5
174.01675	4.1
175.04016	6.8
179.03493	18.5
179.05624	35.1
191.03546	7.9
192.95636	3.4
200.05710	4.4
209.04610	15.4
213.07742	6.4
227.44896	3.7
243.03511	4.6
255.52090	3.9
258.06232	11.9
259.05991	7.6
286.05768	22.5
287.05585	10.5
359.09824	20.6
390.06772	9.5
406.10059	4.3
425.50949	3.6
449.10855	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	449.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.3
59.01384	100.0
68.71793	1.8
69.03467	14.4
69.09718	2.1
69.46216	9.3
71.01385	39.2
83.01396	4.9
85.02964	4.7
87.00851	2.1
89.02449	66.4
95.01488	2.1
101.02452	22.7
113.02446	47.3
119.03519	36.1
125.02448	5.2
131.03525	16.8
137.02444	4.1
143.03503	4.0
149.04553	4.5
153.02098	2.0
161.04622	6.3
165.01913	2.4
177.01999	3.1
179.05632	39.5
186.99030	2.3
259.06122	2.9
287.05579	5.0
361.05902	2.4
365.73322	2.2
416.13757	2.6
449.10336	3.0
450.16013	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	449.1457
Annotation	Vittarin C
Peak:m/z	Relative Intensity
54.33589	0.7
57.03445	1.0
59.01381	12.0
61.98829	7.6
62.70814	0.6
63.50367	0.7
69.87604	0.7
71.01391	7.5
71.36905	0.9
73.02935	2.1
83.01414	1.1
85.02966	2.2
87.00880	1.4
88.81799	0.7
89.02453	2.9
90.98623	0.9
92.02683	1.3
93.03465	10.4
101.02460	3.2
106.04237	12.0
107.05033	3.1
107.45984	0.7
109.02991	3.4
113.02456	1.4
114.55430	0.7
117.03590	0.8
119.03531	1.1
121.02967	62.8
122.03787	9.6
123.04526	1.1
125.02459	1.0
125.06083	0.7
133.02950	3.8
134.03726	0.9
135.04538	8.9
136.05136	1.6
137.02464	15.1
138.02832	1.2
146.06149	2.4
150.03217	3.6
161.02460	12.2
162.02840	1.3
177.01917	1.7
179.03539	4.0
182.02203	2.8
189.01996	0.8
211.07616	0.9
221.99403	0.7
225.05487	1.4
225.09114	0.8
227.07137	8.3
228.07939	33.4
229.08273	2.4
234.01686	0.8
238.02606	0.8
241.08714	3.1
243.10263	60.6
244.10648	3.8
255.03064	0.9
267.02887	0.9
268.03796	1.8
269.04547	5.8
285.03799	1.0
286.04196	1.1
287.05505	1.3
287.09253	8.9
287.19211	0.9
287.22238	1.7
288.09912	0.8
296.02844	1.0
297.03427	1.8
379.59906	1.1
380.10281	1.3
381.98328	0.9
387.15463	0.8
388.60583	1.2
398.09186	1.2
407.07404	1.1
417.06183	2.8
435.49445	0.7
442.56683	0.9
448.61786	1.2
449.08337	7.1
449.14548	100.0
449.27335	6.3
450.09015	1.3
450.14941	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	449.1503
Annotation	Suvorexant
Peak:m/z	Relative Intensity
55.80047	1.1
56.22706	1.0
59.01381	2.2
61.98824	0.9
62.96416	24.6
69.33092	3.9
71.30998	0.9
78.95911	57.2
80.96996	2.1
80.97479	37.2
125.87350	1.1
149.00102	17.0
149.01198	1.8
160.84190	4.5
179.01180	1.8
205.15982	7.6
242.98306	5.7
244.93349	1.4
285.12482	2.1
355.16879	20.2
356.17236	1.8
385.13287	2.0
385.17905	23.0
386.17935	1.7
449.15036	100.0
450.15363	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	449.1504
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01375	1.4
62.96416	28.7
78.95910	74.7
79.63589	1.1
80.97469	36.2
92.44195	1.5
96.96095	1.3
116.92896	2.5
134.31851	1.3
138.06342	1.2
138.91637	1.2
149.00098	19.6
152.99606	1.5
179.01189	1.8
179.85066	1.5
205.16028	7.9
205.34964	1.1
217.81712	1.4
242.98289	5.7
285.12659	1.8
310.03000	2.9
355.16855	18.8
385.17859	27.3
386.18405	1.6
449.14948	100.0
450.15295	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	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18459	0.5
54.88811	0.5
59.01382	100.0
61.98835	2.5
70.89326	0.9
71.01381	1.1
74.60180	0.5
82.30566	0.6
83.01414	0.8
86.23370	0.5
89.02461	0.8
92.89180	0.6
109.02982	2.8
113.02509	0.6
115.33305	0.6
120.99659	1.3
121.02972	2.5
124.01698	1.4
125.02446	5.1
130.04248	0.6
137.02458	11.0
138.03262	0.8
147.03381	0.8
147.04500	1.1
149.02473	1.8
150.03268	1.5
152.04848	2.5
153.05598	4.0
153.06715	0.5
159.04564	0.7
160.84245	5.0
161.02455	1.1
161.04684	0.7
161.12247	0.6
164.01244	1.5
165.01956	3.2
173.06129	1.0
175.03984	5.1
177.01953	3.8
189.05655	1.3
201.05565	2.8
203.03561	0.8
212.06894	5.4
217.05098	0.6
225.05721	0.9
227.09265	18.0
227.11465	1.1
228.09583	0.6
241.05228	0.8
243.06599	2.8
245.04623	0.8
259.06100	12.2
260.06604	0.8
268.56598	0.5
269.04596	1.1
270.00806	0.8
283.06079	0.9
287.05573	10.4
288.06006	0.8
311.05783	1.0
390.05508	0.8
421.11597	1.1
449.10959	5.1
450.11429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01085	0.7
59.01384	11.3
61.98833	5.1
69.14054	2.5
71.01382	3.3
73.02950	3.9
83.01382	0.7
85.02968	1.3
86.79594	0.4
87.00891	3.5
87.04535	1.6
88.98806	0.4
89.02441	3.3
97.02973	0.4
101.02450	3.0
105.01942	1.6
107.01407	0.6
109.02943	0.8
110.92741	0.5
113.02484	2.4
118.86401	0.4
119.03487	1.2
125.02460	1.6
129.02017	0.5
131.56870	0.4
135.04555	4.7
135.08179	0.9
137.02454	0.7
137.09731	9.9
151.00369	1.0
151.03873	0.4
152.01147	0.4
155.10791	100.0
156.11104	3.6
161.04575	1.2
165.01939	0.8
167.03455	0.6
169.12254	0.7
177.01996	0.4
179.03455	0.5
179.05659	0.7
181.08687	1.8
183.10217	1.0
193.01372	2.4
199.09767	60.4
200.10077	2.7
225.11400	0.7
239.51282	0.4
241.10748	1.3
269.04550	1.0
287.11383	44.9
288.11850	2.4
317.15958	0.6
329.06580	3.4
359.07547	1.2
361.14957	0.7
389.14191	0.5
389.21628	1.5
449.09915	1.2
449.16217	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	449.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72947	2.4
57.03439	3.0
59.01384	42.7
71.01394	11.0
71.38412	2.7
80.41769	2.7
83.95219	2.4
85.02982	2.2
89.02456	12.3
91.29915	2.3
97.41135	2.3
100.95824	2.4
101.02433	5.0
105.01935	3.9
107.05028	2.7
107.49950	2.6
110.75307	2.5
112.98808	3.5
113.02456	3.9
113.06127	3.6
116.20581	2.2
119.03512	6.0
125.02453	4.6
130.08742	4.8
131.08281	100.0
132.08577	2.9
135.04489	4.4
150.03236	12.0
156.07767	4.9
160.63173	2.4
165.05595	22.1
173.04549	5.6
173.08194	66.5
173.10454	76.7
173.12889	3.4
174.08470	2.7
179.05786	4.7
186.76735	2.6
209.04539	5.9
213.07684	3.7
245.90553	2.4
258.06216	3.1
286.05698	3.6
287.05591	2.8
364.42499	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	449.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33177	0.5
57.03442	0.9
59.01386	10.1
59.01675	1.0
60.99335	0.5
61.98841	2.6
63.21975	0.5
67.01882	0.8
68.99818	0.6
69.03449	0.6
69.05157	1.9
69.05581	2.0
71.01392	5.2
73.02953	3.5
83.01428	0.8
83.05047	1.0
85.02963	6.8
87.00884	3.4
89.02470	3.0
93.03471	7.9
101.02467	2.3
109.02972	0.6
111.04537	1.4
113.02478	2.0
116.05102	0.6
117.74251	0.5
119.03532	0.8
119.05120	0.6
121.02881	0.5
127.04025	0.8
133.02971	3.6
134.03795	2.0
135.04559	2.9
135.08179	1.6
137.02522	0.7
137.09744	8.9
151.00348	0.7
155.10797	100.0
156.11128	5.5
160.04065	13.5
161.02478	5.3
161.04581	1.3
172.05336	1.0
173.04544	5.9
177.02127	0.7
178.02776	0.6
179.03531	1.4
181.08742	1.1
183.04585	0.8
187.07657	6.2
191.05627	53.9
192.05939	1.7
199.09778	29.7
200.04871	0.6
200.10141	2.2
204.03012	0.7
213.09259	1.0
215.07213	1.2
221.04457	0.6
223.05917	0.6
227.03522	1.7
228.04196	0.7
231.10364	1.6
255.03026	2.0
255.19772	1.1
257.08237	7.0
258.08496	0.7
271.19186	0.9
275.09317	4.1
283.02411	1.7
284.03342	0.9
285.04068	8.9
317.19724	5.3
376.58325	1.9
377.08774	6.7
449.14948	3.6
449.20200	69.2
450.13864	2.2
450.20599	7.2
469.13443	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	449.2396
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
52.08311	0.8
55.01882	11.0
57.03458	5.4
58.00579	1.3
59.01384	60.0
61.98822	0.7
69.03470	2.0
70.01138	0.8
71.01389	69.3
72.99323	1.9
73.02953	44.2
75.00893	1.2
75.18495	0.7
75.68807	0.7
81.03485	1.1
83.01396	18.3
85.02958	42.5
86.00114	2.4
86.03185	1.0
87.00890	6.3
89.02452	19.5
93.03458	3.0
95.01389	4.2
97.02977	3.8
97.22707	0.8
99.00886	16.0
101.02454	80.2
102.02787	1.2
109.03011	1.0
111.00893	2.3
113.02462	29.0
115.04008	2.6
119.03529	2.0
125.02483	5.7
129.01907	0.9
131.03491	4.9
134.03757	1.8
135.04539	8.7
138.20407	0.8
143.03511	2.6
149.04594	3.7
151.04016	1.1
155.52478	0.8
159.03024	5.7
161.04575	28.4
173.04524	1.5
179.03508	2.6
191.05612	2.9
231.60794	0.9
233.06718	4.4
293.08737	1.3
307.08685	1.5
308.09042	2.0
317.19699	100.0
318.19955	6.3
367.10596	1.5
449.23959	97.2
450.24405	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47862	0.8
55.01890	1.8
55.04191	0.6
56.24079	0.8
57.03447	1.5
57.27171	0.6
59.01386	100.0
59.55453	0.8
60.01733	1.5
60.57212	0.8
61.01804	0.7
61.98561	0.8
61.98840	5.3
71.01392	22.1
73.02953	7.6
75.00533	0.7
83.01417	2.9
85.02956	9.1
87.00899	1.0
89.02450	6.7
95.01442	1.2
97.02970	0.9
99.00914	2.1
101.02463	16.6
102.19401	0.7
102.41968	0.7
113.02476	10.8
119.03552	2.2
121.03023	0.7
143.03558	1.3
147.22289	0.8
155.10838	0.7
159.03058	2.9
161.04567	19.0
161.05836	1.1
162.04903	0.9
191.05717	2.5
389.21783	24.3
390.22641	1.8
449.24411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40725	1.7
55.01875	2.4
55.19086	1.7
57.03458	4.1
59.01382	100.0
61.98835	10.9
65.00339	2.2
71.01385	38.1
73.02945	13.7
73.28104	1.8
83.01409	4.6
85.02963	17.4
87.00899	3.6
89.02444	11.3
95.01369	3.5
99.00910	4.3
101.02450	27.7
107.01402	2.2
113.02459	19.9
119.03518	5.3
125.02446	2.8
133.02962	6.2
135.04546	10.5
135.70317	1.8
137.09673	2.1
143.03491	2.6
149.02492	3.1
149.04634	2.4
151.00409	6.4
155.10757	9.1
159.03046	3.6
161.02518	13.8
161.04564	35.9
162.04807	2.1
164.04782	1.8
165.01994	2.6
177.02039	3.1
179.03534	3.5
179.05602	2.7
180.04224	1.8
188.71956	1.9
195.06662	2.1
199.09694	2.7
225.07832	2.1
227.03606	2.4
227.16476	3.3
249.06242	1.8
259.18564	1.8
269.04639	2.0
284.03210	14.6
285.03925	41.5
286.04108	55.6
287.04581	53.9
287.09393	2.5
287.18573	2.4
288.05194	2.3
350.55029	1.8
359.46826	1.7
377.08810	1.9
389.21796	43.7
390.22302	4.7
413.14578	14.4
449.10010	72.6
449.16464	11.4
449.23593	6.2
450.10483	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	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
59.01384	100.0
60.01707	1.1
61.98833	3.2
69.18809	2.1
71.01385	11.1
72.99339	0.5
73.02956	0.8
75.45631	0.3
78.95927	0.6
83.01452	0.4
85.02963	1.2
87.00888	0.7
89.02454	18.9
90.02808	0.4
90.46378	0.3
95.01437	0.6
96.96009	1.6
96.96979	1.3
98.21891	0.6
101.02456	5.9
101.88796	0.3
108.42468	0.3
113.02460	4.1
114.58915	0.4
119.03510	6.2
120.03873	0.4
125.02472	1.3
131.03552	0.8
135.68898	0.4
143.03465	1.9
149.04633	0.9
161.04593	2.4
167.03612	0.5
177.01897	0.4
179.05638	8.1
190.05202	0.4
214.22820	0.3
258.59793	0.3
269.04498	0.5
287.05771	1.3
389.21823	2.1
449.10565	0.4
449.24701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.255
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
52.92875	1.1
54.02725	1.0
59.01394	1.2
61.98807	2.1
69.60484	1.1
69.83462	3.6
71.36344	1.2
78.95911	10.7
79.98605	1.2
98.22564	2.2
108.55405	1.0
126.38017	1.2
133.02965	20.8
134.03784	8.4
135.04541	27.5
136.04945	1.3
137.02480	1.3
152.99597	20.2
161.02461	100.0
162.02802	3.5
171.40825	1.0
175.53369	1.1
179.03522	9.6
198.60472	1.0
205.41045	1.1
287.22269	10.7
431.24371	2.6
449.25510	62.6
450.25659	6.8
460.56369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2549
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
51.15350	2.0
59.01370	2.5
64.12631	2.5
70.67896	2.7
75.63163	2.3
78.95910	10.1
85.22192	2.0
86.48489	2.2
95.68710	2.0
121.80423	2.1
133.02994	21.4
134.03740	5.1
135.04549	24.5
136.04991	2.0
144.87241	5.9
152.99628	11.5
161.02455	100.0
162.02744	3.7
179.03468	10.7
216.29140	2.2
220.59566	2.1
274.32736	2.0
287.22247	8.5
449.25513	65.3
450.25854	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	449.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70855	0.3
69.92207	1.0
69.92560	0.6
78.83076	0.4
78.95912	5.8
107.25852	0.4
110.98537	4.2
122.60085	0.5
137.63168	0.5
167.01146	3.2
185.02190	2.9
203.12350	0.5
225.17047	0.4
281.24872	100.0
282.25220	10.3
336.54599	0.4
449.26736	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	449.2762
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01878	0.9
57.03452	0.9
59.01385	19.4
60.01717	0.8
61.01794	1.1
61.98832	0.4
67.01884	1.2
69.03476	0.6
69.42523	1.7
71.01387	13.6
72.01731	0.8
72.99297	0.6
73.01790	0.7
73.02948	4.0
74.32566	0.4
81.03460	0.4
83.01399	1.9
85.02958	5.9
86.00130	0.4
87.00883	2.6
89.02452	8.8
90.02786	1.2
91.02863	1.1
92.57484	0.4
93.03469	7.9
95.01396	1.1
97.02952	0.6
98.21901	0.6
99.00907	2.3
99.08196	0.6
101.02455	8.5
103.02863	0.6
111.00915	1.1
111.04512	1.0
113.02465	3.2
119.03519	1.4
120.03834	0.5
121.03935	0.5
124.01661	0.5
125.02472	0.7
131.03482	0.7
132.02211	0.8
133.03020	0.9
134.03760	3.2
135.04520	3.5
141.12842	0.5
149.04561	2.2
150.04939	1.2
151.04980	1.0
160.01663	1.3
161.02394	0.5
162.03238	0.5
173.04568	6.0
177.01958	0.4
178.02769	0.9
179.03476	0.8
191.05623	14.8
191.07353	0.8
192.05986	0.6
241.21745	0.4
257.08121	0.7
269.21262	2.5
275.09351	2.7
285.20950	0.7
287.22311	29.2
288.22620	2.1
308.09015	1.0
329.23270	0.5
352.08057	0.7
431.26450	2.2
449.14996	2.7
449.27612	100.0
450.28012	10.0
468.87723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03452	0.9
59.01385	19.4
60.01717	0.8
61.01794	1.1
61.98832	0.4
67.01884	1.2
69.03476	0.6
69.42523	1.7
71.01387	13.6
72.01731	0.8
72.99297	0.6
73.01790	0.7
73.02948	4.0
74.32566	0.4
81.03460	0.4
83.01399	1.9
85.02958	5.9
86.00130	0.4
87.00883	2.6
89.02452	8.8
90.02786	1.2
91.02863	1.1
92.57484	0.4
93.03469	7.9
95.01396	1.1
97.02952	0.6
98.21901	0.6
99.00907	2.3
99.08196	0.6
101.02455	8.5
103.02863	0.6
111.00915	1.1
111.04512	1.0
113.02465	3.2
119.03519	1.4
120.03834	0.5
121.03935	0.5
124.01661	0.5
125.02472	0.7
131.03482	0.7
132.02211	0.8
133.03020	0.9
134.03760	3.2
135.04520	3.5
141.12842	0.5
149.04561	2.2
150.04939	1.2
151.04980	1.0
160.01663	1.3
161.02394	0.5
162.03238	0.5
173.04568	6.0
177.01958	0.4
178.02769	0.9
179.03476	0.8
191.05623	14.8
191.07353	0.8
192.05986	0.6
241.21745	0.4
257.08121	0.7
269.21262	2.5
275.09351	2.7
285.20950	0.7
287.22311	29.2
288.22620	2.1
308.09015	1.0
329.23270	0.5
352.08057	0.7
431.26450	2.2
449.14996	2.7
449.27612	100.0
450.28012	10.0
468.87723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.289
Annotation	Chaksine
Peak:m/z	Relative Intensity
59.01363	0.9
61.68417	0.3
62.57595	0.2
64.28053	0.2
64.53065	0.2
65.58694	0.2
67.74805	0.2
70.21826	0.7
96.96032	1.4
124.80018	0.3
177.12851	0.4
181.12405	0.4
183.13919	16.0
184.14217	0.7
195.13924	14.1
196.14276	0.4
203.10529	0.3
213.14984	100.0
214.15312	5.1
217.36102	0.3
223.13136	3.7
235.13213	4.5
237.11118	0.4
267.12027	0.8
279.12177	0.8
325.98618	0.2
419.26581	0.5
431.26028	0.3
449.28781	22.5
450.29169	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	449.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78365	2.5
55.48717	2.0
59.01384	100.0
61.98830	2.6
63.68575	2.3
66.99088	2.5
69.32417	4.1
69.32823	10.3
77.83176	2.7
78.95895	4.9
91.04005	6.0
96.95975	3.1
152.99594	5.6
208.22058	2.5
297.24673	3.1
315.25415	60.4
316.25729	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	450.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59932	1.3
59.01384	15.8
71.01383	7.8
72.92865	1.3
80.91676	6.5
89.02431	2.7
92.05058	4.2
97.02984	1.4
101.02425	3.1
109.02951	4.4
111.00645	2.2
116.05066	8.9
117.00480	1.5
118.02994	13.7
123.04545	4.0
123.56165	1.5
125.02431	5.0
130.06638	11.2
131.03712	2.2
132.04552	2.8
134.06151	11.3
137.02434	4.1
141.00446	8.0
142.06618	1.9
144.04564	100.0
145.04915	4.2
146.02498	71.5
147.02895	1.6
148.07683	2.3
151.04100	1.7
153.00510	1.9
155.01981	3.1
158.06123	38.8
159.06386	1.8
160.04074	10.2
161.02393	1.7
162.05600	10.0
167.86792	1.5
174.05624	3.7
176.07191	17.9
183.01530	2.3
186.05580	8.0
188.03409	2.7
197.89868	1.5
198.05429	17.2
200.05650	4.0
203.07143	2.4
204.06667	22.7
210.01819	2.3
216.05118	5.7
226.04895	55.0
227.05180	3.8
228.02826	3.2
230.04576	5.3
238.04816	2.8
242.03136	3.4
242.06709	2.3
243.03462	2.8
244.04663	4.8
245.08183	3.2
256.05841	4.2
258.06201	12.7
270.00854	3.4
286.05646	26.9
287.05817	3.6
289.07190	19.2
306.09845	1.9
308.07745	7.4
346.09180	2.6
350.08835	7.1
351.09656	2.0
368.09897	35.3
369.10138	2.3
390.08084	42.6
391.08026	2.2
406.10291	7.4
407.10220	1.6
450.09067	4.8
451.11435	2.1
463.86490	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	450.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70350	0.2
55.01874	0.4
57.03447	0.4
59.01387	10.2
60.01744	0.5
61.98836	2.1
63.02393	1.3
65.00343	0.8
69.37467	1.1
71.01391	4.2
73.02953	3.4
83.01408	1.3
83.05065	0.3
85.02959	1.9
87.00880	1.0
87.57259	0.2
89.02456	1.9
89.03996	0.3
93.03458	1.4
95.01383	0.5
97.02954	0.4
99.00885	0.8
101.02454	3.1
105.03488	0.6
107.01404	1.4
107.05065	0.3
108.02187	0.3
109.02971	0.8
111.00883	0.4
113.02458	1.1
117.03477	2.5
119.03497	0.7
121.02974	0.4
123.00957	0.3
123.04556	0.5
127.04018	0.8
131.03482	0.6
132.02174	2.0
133.02975	26.4
134.03819	4.4
135.00928	0.4
135.04546	18.3
136.04868	1.3
137.02504	1.2
139.57747	0.3
141.03482	0.3
143.05034	0.7
145.02954	0.5
145.05074	1.0
148.05247	0.4
149.04594	0.5
149.06097	1.7
151.00394	3.8
154.04243	0.5
155.05049	0.9
159.04524	1.2
160.01646	0.4
161.02467	71.7
162.02797	5.3
163.00339	0.3
163.02826	0.3
163.04131	0.3
165.01920	0.3
169.01311	0.3
169.06578	0.9
171.04521	0.8
173.02484	0.4
173.06046	0.3
175.04060	0.4
177.01970	0.3
177.04147	0.3
177.05598	3.6
178.02730	0.7
178.05882	0.4
179.03525	15.5
180.03870	0.9
181.05080	0.4
182.03754	0.6
183.04527	3.1
185.02509	0.2
185.06111	1.1
187.04031	1.0
189.05513	0.4
191.05632	0.8
192.05984	0.4
195.04517	0.4
196.05002	0.3
199.04022	0.4
201.05717	0.3
203.03448	0.5
211.04045	2.2
212.04489	0.3
213.05569	0.9
214.02823	0.4
221.04587	6.1
221.06734	0.4
227.03557	7.8
227.34058	0.3
228.03967	0.9
229.05063	1.2
239.03554	0.6
241.05127	0.3
243.03001	0.3
251.05666	2.8
255.03012	25.7
256.03473	3.5
257.04477	1.1
267.02765	0.3
269.13968	0.3
270.14307	0.7
281.06699	5.4
282.07132	0.5
282.99265	0.6
283.02518	22.9
284.03177	7.4
285.04074	100.0
286.04416	13.6
287.04633	0.8
319.17548	0.4
323.07791	2.6
324.07947	0.3
341.08856	0.7
376.58420	14.9
377.08792	49.4
377.58975	17.3
377.62772	0.2
378.09027	2.5
390.22058	0.7
391.23227	0.8
431.09778	2.4
432.10092	0.3
450.11752	2.9
450.20764	0.8
450.62018	1.7
451.21631	1.6
451.32864	1.1
453.13922	0.8
469.13562	17.3
470.13852	3.3
471.13516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85933	0.2
53.91980	0.2
55.01883	0.3
57.03433	0.2
59.01385	4.9
60.01724	0.3
61.98838	2.0
63.02374	0.8
65.00340	0.7
69.03443	0.3
71.01390	3.8
71.04182	0.3
73.02950	3.4
81.03458	0.2
82.00634	0.2
83.01392	1.2
83.05025	0.6
85.02955	1.6
87.00877	0.9
89.02451	1.4
89.04017	0.2
91.01946	0.2
93.03466	2.0
94.03798	0.2
95.01386	0.4
97.02940	0.3
99.00892	0.6
99.04511	0.2
101.02441	2.2
101.03016	0.2
103.39063	0.2
105.03473	0.4
107.01399	1.8
107.05059	0.3
108.02204	1.0
109.03019	0.9
111.00865	0.2
113.02467	0.8
115.01907	0.2
117.03472	2.7
119.03479	0.4
121.02976	0.7
123.00938	0.3
123.04529	0.9
124.01698	0.2
124.04919	0.2
125.02457	0.3
127.04053	0.7
131.03479	0.2
131.05031	0.3
132.02191	1.7
133.02971	26.9
134.03822	4.0
135.00935	0.4
135.04541	18.5
136.04869	1.2
137.02449	2.8
137.06136	0.2
138.02776	0.4
139.03995	0.5
141.03445	0.3
143.05014	0.6
145.02972	0.6
145.05084	1.4
145.06654	0.2
147.04578	0.3
148.05328	0.4
149.04565	0.2
149.06085	1.8
150.03220	0.2
151.00388	3.6
152.01207	0.9
153.01556	0.5
154.04288	0.6
155.05049	0.7
159.04466	1.1
160.01692	0.4
160.05237	0.2
161.02458	71.7
162.02788	5.3
163.00381	0.4
163.04047	0.3
165.01915	0.4
167.03519	1.4
167.04932	0.4
168.03860	0.7
169.01439	0.4
169.06606	0.7
171.04538	0.7
173.02419	0.4
173.05998	0.4
174.03395	0.2
175.03995	0.5
177.01968	0.2
177.04123	0.3
177.05585	3.9
178.02744	0.7
178.05998	0.3
179.03511	15.4
180.03917	1.3
181.05090	0.2
182.03690	0.5
183.04527	2.8
184.04958	0.5
185.02490	0.2
185.06090	0.9
187.04010	1.1
189.05548	0.4
191.05629	0.5
195.04539	0.3
199.04044	0.5
201.05534	0.3
203.03532	0.6
211.04013	2.3
212.04424	0.3
213.05441	1.0
214.02666	0.5
215.03459	0.4
219.02858	0.2
221.04549	4.6
221.07863	0.2
222.04910	0.5
225.16093	0.2
227.03511	9.1
228.03876	1.1
229.05054	1.0
233.04675	0.2
239.03519	0.8
240.04268	0.3
241.05038	0.6
243.03011	0.7
251.05652	2.8
255.03004	24.9
256.03442	3.6
257.04562	1.6
268.03799	0.2
269.04510	0.5
270.14444	0.2
270.18054	0.2
281.06671	5.8
282.07040	1.3
283.02502	22.8
284.03143	7.6
285.04059	100.0
286.04398	12.7
287.04581	1.3
288.05130	0.3
323.07751	2.0
324.08032	0.5
341.08719	0.9
369.09515	0.3
376.58414	14.3
377.08768	51.4
377.58972	16.7
377.62741	0.2
378.09058	2.3
424.71683	0.2
431.09958	2.2
432.10190	0.3
450.11539	5.4
450.61914	1.8
451.11810	0.5
451.22018	0.5
451.32816	1.9
453.13974	1.0
454.14499	0.2
469.13547	18.3
470.13864	3.0
471.13965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92871	0.4
55.01881	1.0
57.03457	1.0
59.01385	20.9
60.01721	1.2
61.98835	100.0
63.02417	0.5
69.61551	1.8
71.01388	12.6
73.02954	5.1
75.00892	0.5
82.50290	0.4
83.01404	1.9
85.02950	6.0
87.00879	0.7
89.02451	6.0
93.03494	0.9
95.01408	1.5
95.90165	0.5
98.21898	0.5
99.00889	1.3
101.02453	11.5
105.18922	0.4
107.01431	0.6
108.02271	0.5
113.02465	4.4
117.03477	1.5
119.03533	2.2
125.02453	1.0
127.04073	1.2
133.03085	0.6
143.03502	0.5
145.05092	1.2
149.02455	0.7
151.00414	0.5
155.10829	0.6
159.02998	0.8
159.04466	0.9
160.01715	0.5
161.02435	1.1
161.04591	2.6
179.05655	0.8
183.04567	0.5
191.05568	0.8
225.05574	0.5
227.03630	0.7
227.16481	0.5
229.05138	0.7
255.03093	1.2
256.97275	0.5
257.04721	0.5
268.03812	3.1
269.04568	44.7
270.04892	5.8
271.05219	0.6
284.03336	0.7
285.04083	8.4
286.04437	1.3
296.07288	2.2
296.57565	0.7
307.10416	0.9
369.10165	3.0
369.60419	1.8
389.21915	1.3
390.22321	3.0
431.09976	2.0
450.12155	1.0
451.25665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.3
56.30561	0.2
56.52585	0.3
59.01381	2.4
61.25475	0.2
61.98813	1.0
68.99781	0.3
71.01386	1.4
73.02937	0.7
73.41671	0.3
79.77676	0.2
83.01402	0.3
85.02925	0.9
87.00858	0.2
89.02451	0.6
93.03472	0.4
95.01423	0.2
101.02431	0.7
113.02460	0.6
116.05077	3.7
117.03492	1.1
119.05026	0.4
121.02927	0.4
133.02989	1.1
134.03754	0.4
135.04526	0.9
145.02943	3.6
146.03378	0.4
151.00389	0.5
153.46390	0.3
155.10785	1.6
156.11131	1.1
159.03236	0.7
160.04056	100.0
161.02478	3.0
161.04422	4.3
163.03969	0.8
173.04565	0.5
179.03502	0.8
191.05556	1.4
192.06033	0.9
204.03035	5.6
227.03561	0.4
244.09924	0.6
255.03065	1.9
256.03357	0.3
269.04669	0.3
277.06067	0.3
283.02496	2.0
284.03363	0.9
285.04092	6.8
286.04523	0.9
292.07407	0.3
318.20157	0.6
322.09625	0.3
366.08371	0.5
368.58878	1.2
369.09024	2.8
369.59354	0.9
376.58398	0.3
377.04401	0.3
377.08792	1.8
377.59143	0.8
391.23618	0.4
431.10309	0.3
447.09653	0.3
450.14337	16.0
450.20938	1.7
451.14578	1.8
453.14410	0.5
469.13782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91770	3.1
56.16071	2.2
57.03455	13.8
57.43909	2.4
59.01389	41.3
60.01724	2.4
61.98842	36.5
67.01898	6.0
71.01392	34.7
72.99295	2.5
73.02958	10.9
83.01392	5.9
85.02961	10.7
87.00900	14.7
89.02455	7.6
92.02703	5.0
92.87041	3.0
93.03472	65.0
94.03810	11.9
99.00906	3.1
99.04539	9.9
101.02457	19.8
104.02693	8.5
111.04551	6.9
113.02450	9.9
119.03574	3.6
120.02206	3.3
121.02969	4.2
125.02464	5.8
128.07800	2.9
133.02969	5.2
133.77849	2.9
134.03732	9.6
134.96767	2.5
135.04399	4.5
136.01683	7.8
137.02466	68.5
138.02791	6.5
148.01665	11.9
151.00385	5.4
161.02412	6.9
161.04596	6.3
169.12372	5.4
170.12674	5.0
173.04573	30.4
174.04903	10.7
176.01164	100.0
177.01929	21.1
179.03506	13.8
183.04498	4.3
191.05733	13.3
192.05963	9.2
209.04439	4.0
224.97337	3.0
225.11324	5.4
227.03546	11.3
239.05646	4.4
245.08278	20.6
255.03008	43.0
275.09207	5.7
276.09613	11.5
281.06787	5.0
283.02505	52.4
284.03128	17.7
285.04086	57.1
286.04321	8.7
287.22388	8.6
288.22571	3.9
307.17621	7.8
308.23694	3.2
355.57867	60.4
356.08224	85.7
356.58350	24.7
357.08716	4.4
427.12540	6.4
429.11246	3.2
449.27499	25.5
450.11386	9.7
450.15329	8.6
450.21359	7.0
450.27759	35.9
450.61676	4.1
451.15683	6.1
451.28592	4.8
473.11072	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	450.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	37.9
60.01712	1.2
60.21981	1.2
61.98836	100.0
63.99270	1.2
70.73645	2.6
71.01379	8.9
73.02950	2.1
83.01377	1.3
83.83385	1.3
85.02973	3.2
87.00883	1.9
89.02460	9.7
93.03468	1.2
97.02967	1.1
101.02463	6.6
113.02467	4.0
116.50788	1.2
119.03490	4.1
122.72346	1.1
125.02412	3.8
137.02515	1.4
145.05038	1.3
151.03999	1.2
163.11313	1.3
179.05627	1.2
191.05688	1.3
207.10251	2.9
207.77078	1.2
216.78072	1.2
240.19241	1.2
255.03098	1.3
270.04837	1.7
271.15302	1.4
284.03452	1.7
285.03922	3.5
288.05746	1.9
325.87723	1.5
355.48718	1.3
387.11853	2.3
387.16644	36.5
387.21704	2.0
388.16946	3.5
402.16205	1.5
431.09717	2.3
451.21692	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	450.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68693	0.7
57.03453	2.0
59.01385	16.4
60.01719	1.4
61.01805	1.2
61.98836	100.0
63.99269	1.1
69.34480	1.0
69.34824	2.9
71.01379	3.3
73.02958	1.4
83.01408	1.3
85.02967	1.2
87.00890	1.0
89.02462	2.7
93.03488	1.1
101.02462	2.1
107.01373	1.1
113.02450	1.0
119.03411	0.6
122.06139	0.7
124.04091	0.6
125.02458	12.0
126.02805	4.7
133.99760	0.5
136.07672	4.0
138.05640	4.9
143.28694	0.5
149.00946	2.4
149.02306	0.8
150.02882	0.8
151.00430	2.4
152.00803	1.4
153.01888	0.8
159.04471	0.6
161.04585	0.9
178.99942	1.3
179.03487	0.8
180.00208	0.6
184.06158	0.9
215.07149	0.7
226.05954	0.6
244.06982	0.9
249.17079	0.5
257.13046	1.7
259.06143	4.6
260.06497	7.0
269.04526	4.6
270.04901	8.9
287.05624	2.6
288.06033	6.5
318.19742	0.6
319.13004	0.9
390.21646	1.0
450.11185	9.7
450.20865	0.8
451.11932	1.1
451.22043	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	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.4
59.25778	0.5
60.01721	1.4
61.98836	100.0
71.01382	6.5
71.41871	0.6
73.02962	2.7
80.17557	0.6
85.02969	2.3
87.00862	0.7
89.02456	4.7
93.03437	0.7
98.21870	1.6
98.46995	0.7
99.00905	1.0
101.02441	4.5
102.02748	0.6
111.00909	0.8
112.28493	0.7
113.02453	2.9
119.03513	1.8
125.02472	0.9
133.02989	2.3
135.04541	2.2
137.02475	0.7
151.00378	0.6
153.05603	0.8
161.02501	5.3
161.04597	2.8
162.04948	0.8
176.04837	0.9
179.03571	1.2
179.05591	1.0
191.05644	2.5
191.07120	0.7
239.09236	1.6
255.03081	1.7
283.02594	1.5
284.03003	0.9
285.04056	6.6
286.04523	1.2
289.20486	0.9
377.08832	1.8
390.22049	3.2
391.23370	1.4
451.25839	3.4
469.13678	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	450.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
56.65652	0.3
59.01384	12.0
60.01726	0.9
61.98837	100.0
71.01389	5.8
73.02962	2.3
78.91956	0.4
83.01424	1.2
85.02966	2.2
87.00883	0.8
89.02457	3.2
98.21925	1.3
101.02464	5.1
103.88790	0.3
113.02470	2.3
117.03498	0.7
118.30179	0.4
119.03529	1.5
125.02461	0.7
126.09193	0.4
145.05122	0.9
151.00389	0.5
155.10825	0.7
156.11168	0.7
160.01730	0.5
161.02541	0.5
161.04591	1.8
191.05632	0.5
217.05136	0.5
227.03531	0.5
268.03928	0.7
269.04562	15.9
270.04846	2.2
285.04044	3.0
286.04572	0.6
344.59729	0.4
369.10257	1.4
369.60263	0.6
389.22009	0.5
390.22208	3.7
431.10007	0.9
451.25607	0.6
472.10666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20493	2.5
57.03445	7.3
58.63609	2.7
59.01388	78.4
61.98851	12.8
69.03455	2.9
70.72605	2.8
71.01384	40.8
71.40887	2.3
72.98228	2.3
72.99315	2.4
73.02940	11.3
74.87618	2.4
81.03461	4.1
83.01392	5.7
83.05027	5.7
85.02968	10.3
86.11839	2.7
87.00887	4.5
87.04524	5.9
89.02458	30.9
95.01397	4.3
95.05037	3.7
99.00928	2.8
99.04541	4.1
101.02452	25.4
108.02170	4.5
109.02949	15.7
113.02460	17.8
115.04025	4.0
117.10790	2.6
118.98106	4.8
119.03513	8.8
121.02971	100.0
122.03286	3.3
123.00878	14.1
123.04508	14.0
124.01662	12.6
125.02461	25.6
129.05663	2.3
131.03566	3.6
133.02986	4.6
135.04544	7.6
137.02451	17.3
138.03273	6.1
139.04037	10.2
145.05020	2.6
147.11771	3.4
149.00790	2.7
149.02435	6.2
149.04501	3.3
151.04027	9.6
152.01247	4.1
159.04510	4.0
161.02463	15.6
161.04524	5.6
161.05998	4.0
164.01051	2.8
165.01910	5.4
167.03522	15.2
175.04059	3.4
177.01918	3.5
179.03563	6.1
179.05608	3.6
203.07149	8.7
205.05040	3.8
206.02342	2.7
209.04515	4.1
209.15355	4.3
245.08177	10.9
271.15555	24.7
275.07800	4.6
289.04208	3.8
289.07208	46.6
289.20245	3.5
293.08817	6.1
311.07709	10.1
319.21228	8.8
329.06479	16.3
341.06494	2.8
451.11584	27.1
451.21899	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.5
59.01389	20.5
61.35479	2.1
62.49117	1.9
67.95628	2.2
71.01398	10.9
71.41206	2.6
73.02948	2.8
81.03462	4.3
83.01398	5.3
87.00878	4.4
89.02446	7.1
91.05544	96.6
92.05865	3.0
95.05016	3.0
97.02937	4.0
99.00899	2.3
101.02435	6.6
103.18361	2.2
107.23816	2.4
109.02966	21.5
113.02439	3.0
119.03506	3.4
121.02954	5.2
123.04553	19.7
125.02452	23.2
129.05536	2.3
134.96751	1.9
135.04495	7.5
137.02489	25.1
138.02948	2.1
139.03976	4.6
145.03006	2.1
149.02449	8.3
151.04042	12.1
159.04469	1.9
161.02437	9.4
161.06082	3.3
163.04030	87.8
164.01216	4.0
164.04393	4.3
165.01909	8.5
167.03508	3.7
175.04059	3.4
175.07645	2.4
177.05539	2.2
179.03503	7.9
180.04405	2.3
187.03957	3.0
188.04826	3.7
201.05603	2.6
202.06403	2.6
203.07109	12.4
205.05054	10.1
221.08253	3.7
245.04416	2.1
245.08141	22.0
271.15488	9.1
287.05579	2.5
289.07205	100.0
290.07458	5.5
313.07288	2.3
451.12689	10.8
451.22064	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77115	1.3
57.03444	2.6
59.01376	8.1
61.98821	3.7
64.54583	1.1
71.01366	3.9
71.41536	1.3
73.02934	2.3
78.95956	1.2
79.69155	1.5
81.00100	1.2
83.01396	2.2
84.81686	1.2
85.02930	1.9
86.79837	1.2
89.02432	2.1
93.03461	2.6
94.63499	1.2
95.01395	1.9
95.05009	1.7
97.02970	1.5
99.04530	3.0
101.02442	3.9
108.02158	2.6
108.34644	1.1
109.02958	48.7
109.03703	2.7
110.03307	2.0
119.05035	1.7
119.19664	1.2
121.02959	5.8
122.03754	2.8
123.04535	29.8
123.38352	1.2
125.02451	2.9
133.02972	7.1
135.00853	2.6
135.04530	10.5
137.02454	4.5
139.03989	1.9
145.02953	2.3
147.04527	5.4
148.01663	2.2
149.02455	5.3
150.03212	3.3
151.04044	13.7
155.14444	1.1
161.02464	15.9
161.04562	2.4
162.03163	3.0
163.00395	32.8
163.03981	4.7
164.01135	8.9
165.01952	8.6
167.03532	1.2
175.04018	4.9
176.01128	7.0
176.04727	1.3
177.01944	46.7
178.02373	2.2
179.03566	2.7
187.03906	1.6
189.01945	38.0
190.02719	11.7
191.03525	15.6
203.03491	5.7
203.87216	1.4
204.00621	2.9
205.01428	29.2
207.02779	2.0
216.00652	5.4
217.01431	25.1
218.02008	3.1
219.03004	16.7
225.05685	1.5
231.02995	9.1
232.03711	1.5
240.04137	1.4
243.06506	1.7
245.08118	1.5
246.13957	1.3
253.14513	2.3
267.06729	1.6
269.04510	2.5
282.31686	1.5
285.07654	8.1
287.05673	2.4
289.07147	2.7
289.14453	13.4
297.07294	1.7
301.53842	1.5
307.17700	2.2
323.05759	1.9
329.06686	86.3
330.06882	7.7
341.06662	100.0
342.07031	9.3
451.10352	38.6
451.16422	2.4
451.29071	2.8
452.10712	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	451.105
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03413	0.9
95.05018	0.8
109.02958	24.1
121.02946	1.1
123.04531	9.0
125.02399	0.9
133.03001	4.8
133.03874	0.8
134.03717	2.4
135.04544	1.2
137.02380	1.3
145.02921	1.2
146.03789	0.9
147.04523	2.3
149.02467	1.9
151.04036	8.2
156.49750	0.8
159.04572	1.5
161.02464	9.1
162.03236	4.2
163.03961	1.7
176.01192	0.8
177.01939	28.0
178.02312	1.8
187.04027	2.8
188.04750	2.0
189.01953	30.5
189.05569	1.6
190.02711	12.3
191.03545	4.5
203.03500	2.4
216.00641	6.7
217.01418	15.2
218.02133	2.4
219.02972	7.9
227.07108	1.3
229.08757	2.2
231.03038	5.1
232.03893	1.4
247.70334	0.7
281.04605	7.2
282.05225	0.9
287.05615	1.6
289.07129	2.2
297.07751	6.1
299.05612	10.9
323.05496	0.9
341.06671	100.0
342.07053	7.4
451.10342	16.0
452.10550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38290	0.3
59.01366	0.3
59.21757	0.3
69.28812	1.4
80.12671	0.3
89.03969	0.4
95.05025	1.2
103.05547	0.5
105.03500	0.7
108.02182	0.9
109.02959	23.2
110.03324	0.4
117.03476	0.8
119.05018	1.2
121.02946	0.9
123.04534	12.8
133.02951	4.5
135.00902	0.4
139.04041	0.4
143.05063	0.4
145.02968	1.8
147.04541	4.1
149.02470	0.5
150.03241	0.7
151.04033	6.2
152.04308	0.3
159.04527	1.4
160.01624	0.4
161.02463	6.4
161.04556	0.4
161.06152	0.4
162.03166	1.0
163.04018	1.2
176.01138	0.7
177.01942	26.2
178.02271	0.8
187.04044	1.3
188.04704	0.4
189.01947	57.8
190.02690	11.8
191.03519	10.4
192.03923	0.7
201.01915	0.5
203.03529	5.2
203.06981	0.3
216.00644	8.3
217.01422	33.7
218.02020	2.7
219.02988	13.6
220.03397	0.5
231.03000	10.2
232.03596	1.0
233.04570	1.2
245.08063	0.4
281.04510	0.9
287.05630	0.5
289.07135	1.5
297.07538	0.4
299.05508	2.1
323.05661	1.8
341.06665	100.0
342.06982	7.7
383.77258	0.4
451.10361	24.0
452.10797	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	451.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29034	0.5
57.03379	2.1
57.03634	1.1
59.01304	1.7
69.03414	0.7
69.26648	1.8
69.27055	1.4
71.01360	0.6
74.24049	0.5
81.03447	3.3
83.01402	5.3
93.03384	2.4
95.01353	1.0
95.05023	3.1
97.02961	8.7
97.03526	0.6
108.02145	1.0
109.02963	28.2
110.03173	0.7
119.05000	0.6
121.02970	4.3
122.03777	2.7
123.04538	20.9
125.02454	18.0
126.02744	0.7
133.02856	1.9
135.04544	2.9
137.02461	30.0
138.03125	1.3
139.04021	4.9
145.02893	1.9
146.03670	1.7
147.04419	1.6
148.01520	0.6
149.02481	7.0
150.03110	2.4
151.04021	13.6
152.04343	0.6
159.04538	4.5
160.05193	1.7
161.02470	6.5
161.06122	5.8
162.03247	3.0
163.00262	0.9
163.03908	1.7
164.01155	4.0
165.01952	9.6
166.02444	1.0
167.03383	2.5
173.06018	1.2
175.04033	6.6
175.07553	2.3
177.05458	0.7
179.03516	6.0
185.06029	1.1
187.02734	0.6
187.04039	6.0
188.04849	4.3
199.07645	0.8
201.05576	1.1
202.06389	3.0
203.03459	0.7
203.05374	1.2
203.07156	17.9
204.07336	0.9
205.01379	0.7
205.03261	0.8
205.05069	10.5
212.04710	1.0
217.08678	0.6
221.08136	5.6
227.07182	2.7
229.05034	0.8
230.05905	1.4
231.03111	0.8
245.08211	28.1
246.08467	1.8
247.06117	1.4
271.06174	2.7
288.06317	0.8
289.07202	100.0
290.07581	6.3
299.05606	1.6
306.92490	0.6
451.12512	40.9
452.12796	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	451.1249
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.58844	0.5
57.03444	1.5
59.01355	0.6
69.03468	0.6
70.48235	1.3
81.03472	2.4
83.01378	3.2
93.03468	1.6
95.05033	2.4
97.02956	5.2
98.45836	0.5
104.03876	0.5
107.05049	0.6
108.02153	0.7
109.02959	16.6
121.02948	3.6
122.03735	1.1
123.04536	13.0
125.02458	13.5
133.75948	0.5
135.04570	1.4
137.02460	15.8
138.03178	0.7
139.04048	2.7
145.02962	1.1
146.03717	0.9
149.02464	4.7
150.03178	0.9
151.04005	7.0
159.04517	2.0
160.05322	1.5
161.02493	5.2
161.06125	4.2
162.03197	1.4
163.04022	2.0
164.01129	3.5
165.01929	6.7
166.02611	0.5
167.03514	1.8
173.06024	0.6
175.03970	1.5
175.07594	1.7
177.05557	0.9
179.03511	4.3
185.06094	1.0
187.04013	3.3
188.04796	3.4
189.01961	2.2
199.07590	0.8
201.05588	0.7
202.06369	2.0
203.07135	9.2
205.05051	4.9
212.04700	0.6
221.08224	2.0
227.07228	1.5
245.08208	12.5
246.08589	0.9
247.06085	1.2
289.07199	100.0
290.07550	8.2
299.07623	1.0
313.07224	1.6
451.12454	6.9
452.12827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.1
61.86565	0.4
69.72845	1.6
71.04454	0.4
74.13465	0.4
81.03461	2.1
82.45941	0.5
83.01384	2.6
85.41755	0.5
93.03448	1.4
95.01382	0.9
95.05023	2.8
96.83474	0.5
97.02956	4.5
98.22601	0.5
98.56581	0.4
108.02165	0.9
109.02954	18.7
110.03275	0.5
121.02969	3.8
123.04531	12.8
124.04858	0.6
125.02461	12.4
135.04515	1.7
137.02461	9.1
138.03154	0.7
139.04005	3.0
145.02956	0.8
146.03743	1.5
149.02475	5.5
150.03217	0.7
151.04018	7.7
159.04538	2.2
160.05301	1.0
161.02443	1.6
161.06091	3.9
162.03203	1.5
163.04021	1.2
164.01241	2.4
165.01941	4.2
166.02644	0.4
167.03529	1.3
173.06013	0.7
175.04001	1.8
175.07635	1.6
177.05742	0.5
179.03517	4.7
185.06046	0.7
187.04033	4.0
188.04797	3.6
189.01985	0.5
193.04999	0.7
198.88681	0.4
201.05562	0.7
202.06374	1.5
203.03511	0.8
203.07167	9.7
205.05081	7.9
212.04915	0.6
217.08748	0.7
221.08221	3.2
222.12402	0.5
227.07143	1.7
231.03040	0.6
245.08186	14.1
246.08479	0.8
247.06131	1.1
271.06143	1.4
289.07190	100.0
290.07565	7.5
312.33139	0.5
313.07129	1.7
316.33264	0.4
355.08182	0.9
445.65289	0.5
451.12445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	20.4
60.02254	3.1
65.11163	3.2
71.01386	11.9
72.99345	5.9
78.95925	4.9
87.00900	7.3
89.02467	14.9
92.92856	3.8
94.44177	3.5
94.79198	3.8
101.02468	13.7
105.01944	11.4
108.90207	100.0
113.02444	6.4
119.03529	5.6
133.54103	3.2
146.65793	3.4
165.04152	4.0
179.05627	4.5
184.00169	8.2
206.93765	4.4
216.89874	3.3
253.09349	4.4
276.98892	4.0
347.92896	6.8
415.14554	88.0
416.14999	10.2
451.12274	74.4
452.12756	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	451.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08099	0.8
55.01871	2.1
57.03444	3.0
59.01384	33.7
61.98835	2.7
69.03452	1.7
71.01384	20.5
72.02073	0.7
72.99304	1.0
73.02955	10.6
75.00861	0.9
75.85521	0.6
79.59415	0.6
81.03461	13.9
83.01389	9.2
85.02956	10.0
87.00877	1.6
87.76312	0.6
89.02447	9.4
93.03469	1.8
93.70879	0.7
95.01392	2.2
95.05036	10.2
96.28028	0.6
97.02953	6.7
99.00908	3.1
99.04534	5.9
101.02444	18.6
105.03471	0.9
108.02148	0.7
109.02971	10.3
111.00899	1.6
111.04581	0.9
113.02460	8.6
119.03500	3.1
121.02950	3.5
122.03775	1.6
123.00853	0.6
123.04541	16.1
125.02459	30.3
126.02824	0.7
131.03470	1.8
133.02986	0.7
134.03760	1.0
135.04538	11.1
136.04848	1.0
137.02454	4.7
137.06093	7.5
137.09720	1.1
139.04027	3.5
141.05560	1.4
143.03481	1.0
146.03754	0.9
147.04535	1.0
149.02426	2.5
149.04489	1.1
150.03206	3.2
151.03975	1.7
153.05542	0.7
155.03516	1.7
155.10782	4.1
156.11105	2.6
157.11334	1.0
159.03004	1.7
161.02448	1.5
161.04582	9.1
161.05949	1.3
163.03986	1.1
165.05630	6.7
167.03505	62.9
168.03818	2.3
177.05553	1.3
179.03522	7.9
180.04208	1.2
181.05084	2.3
187.03999	1.1
188.04707	0.7
191.03487	1.5
193.01459	0.8
195.06570	1.1
197.04610	4.8
199.09747	2.5
200.10091	1.6
201.10320	1.5
203.07095	2.1
206.02219	0.8
207.10202	0.7
209.04556	41.1
210.04865	1.1
221.04576	4.6
223.06096	0.8
229.14610	0.9
233.06679	1.1
239.05627	5.1
245.08212	0.9
255.12396	2.8
271.06100	1.6
284.02994	0.8
285.03925	1.0
289.07275	4.0
289.11743	1.9
289.20178	1.0
293.08636	0.7
313.07080	1.9
319.17618	23.1
320.17966	1.1
321.04160	0.8
331.08249	100.0
332.08557	8.1
340.12851	0.8
343.08426	0.8
361.09290	21.6
362.09583	1.8
373.09232	0.9
391.23587	1.3
403.17593	2.5
433.11734	1.1
451.11734	2.0
451.21341	22.9
452.21906	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	451.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.61918	8.4
61.98822	13.7
66.20122	8.5
69.79279	29.2
70.31114	7.9
71.01389	34.7
73.02966	8.6
85.02931	17.0
89.02448	33.0
93.03455	9.2
96.96030	19.1
99.92614	9.5
101.02443	24.5
113.02453	18.5
115.92100	11.0
116.92883	10.8
119.03490	9.2
126.48875	8.9
166.81229	9.2
191.05653	21.6
193.04753	8.4
277.91272	10.3
289.02319	8.5
293.08472	11.9
451.05490	12.0
451.16318	11.0
451.21552	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03436	1.7
59.01383	100.0
60.01713	2.1
61.01807	1.4
61.80218	0.7
61.98833	23.1
64.61164	0.9
67.01875	0.8
71.01389	34.6
72.99313	1.0
73.02950	10.6
75.00862	1.9
83.01407	2.6
84.21707	0.8
85.02963	10.5
86.03352	0.7
87.00880	2.9
87.04529	1.1
89.02449	28.9
91.02877	0.9
93.03490	1.9
95.01405	1.9
97.02984	1.1
99.00894	3.6
101.02449	22.6
111.00912	2.1
113.02464	10.1
119.03523	7.7
121.02873	1.0
123.04545	1.5
131.03511	3.6
133.02983	5.9
134.03255	0.9
135.04510	3.6
136.04839	1.6
138.90614	0.9
143.03473	2.4
149.04582	8.0
151.00371	1.3
151.07574	0.7
155.10779	3.4
159.03021	2.3
161.02472	14.5
161.04526	9.8
162.02826	3.4
173.15453	1.0
177.05611	1.0
179.01976	0.8
179.03523	3.7
179.05658	3.6
180.03899	1.0
191.05627	3.6
199.09731	1.6
227.03403	1.7
228.03763	1.4
255.03035	6.5
256.03403	2.7
281.06616	1.2
283.02493	5.7
284.03168	4.1
285.04059	21.4
286.04492	12.1
287.04556	1.5
289.09323	1.0
289.20261	3.9
319.17596	2.7
319.21277	10.8
377.08548	3.4
377.59000	8.8
378.08847	1.6
390.22141	1.6
391.18961	1.2
391.23392	20.4
405.47809	1.0
431.09778	0.9
447.23105	0.9
451.13269	2.5
451.21045	3.7
451.25562	8.6
469.13174	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	451.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94192	0.8
60.91673	0.9
61.50745	1.1
61.98827	2.1
64.16019	0.9
69.65953	3.1
71.01389	14.1
84.93872	4.8
89.64211	0.8
98.22506	1.9
98.95467	1.2
99.91900	1.2
99.92590	37.3
100.93374	57.6
101.93382	3.3
105.67577	0.9
109.83754	0.9
110.95451	1.0
115.92089	100.0
116.92204	5.1
116.92869	96.7
117.92897	4.2
126.94939	2.8
132.92290	1.5
144.95982	1.4
154.94449	7.4
172.95485	41.7
173.95525	2.5
175.22667	0.8
277.21725	2.5
377.14206	1.1
430.74741	1.0
433.17072	1.2
451.17880	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	451.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47488	0.8
56.40203	0.9
65.64188	0.9
78.95870	1.0
85.45071	0.9
99.92583	10.9
100.93369	63.4
101.93383	2.0
107.69686	0.8
115.92085	100.0
116.92093	4.6
116.92876	9.3
132.92336	1.6
140.28362	0.9
172.95465	5.7
255.23363	2.7
433.17044	1.2
451.17932	2.1
459.64767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13301	0.2
58.32223	0.2
61.98834	0.5
63.21781	0.2
69.19998	0.6
69.20397	0.5
71.01386	0.3
75.20699	0.2
83.96016	0.2
84.93873	0.6
86.43976	0.2
98.95479	0.2
99.00889	0.5
99.92600	7.1
100.93374	34.5
101.93394	1.7
115.92090	100.0
116.92098	4.1
116.92882	9.5
117.92654	0.3
126.94938	0.3
130.94467	0.3
132.92366	1.3
138.34656	0.2
142.94388	0.5
154.94458	0.4
155.95244	0.5
156.96034	0.3
172.95488	6.9
202.28160	0.3
277.21692	0.8
301.04446	0.2
377.14310	0.4
398.62103	0.2
403.15488	1.1
433.17068	1.7
434.17252	0.2
451.17981	2.8
452.18323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79193	6.6
59.01371	10.2
61.98839	11.1
71.44629	7.4
95.34706	5.9
115.70460	5.8
121.10278	8.0
152.91821	9.5
186.74039	6.3
242.56462	6.3
269.06998	14.7
326.80844	7.2
391.18060	100.0
425.73523	6.7
451.10831	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	451.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98835	75.9
71.01398	44.2
73.02958	26.7
73.05921	15.6
76.08993	15.1
78.56645	13.3
85.02979	27.1
88.58848	14.5
89.02461	41.3
97.74812	16.7
101.02441	44.3
113.02486	23.5
120.02783	15.0
121.03014	16.3
135.04587	25.8
161.02457	64.8
161.04543	20.1
168.63737	13.9
179.03545	21.2
190.05200	72.6
191.05548	25.7
192.05655	15.7
226.08313	15.8
235.18164	16.4
277.16370	19.1
285.04160	53.3
286.04578	27.2
341.06503	19.3
348.01355	14.6
377.08685	30.8
377.58856	24.8
409.20816	61.9
451.20428	28.3
451.26114	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	451.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48013	23.5
59.01365	82.8
61.98830	71.2
63.58978	23.5
69.46781	22.7
71.01392	40.5
73.99323	26.8
89.02456	27.3
98.22642	100.0
127.75011	26.4
133.02879	24.8
149.41658	21.8
152.22383	26.1
161.02451	39.5
177.90747	24.9
229.05846	26.6
241.73648	23.1
269.04410	28.7
285.04028	62.9
291.14374	28.5
360.12985	25.7
367.39276	26.2
427.88193	28.7
450.61823	34.4
451.21161	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01717	1.4
61.98833	15.8
61.99140	1.2
69.21050	1.4
69.21453	2.9
71.01389	9.3
73.02942	3.4
83.01409	1.4
84.95832	0.6
85.02950	4.2
89.02448	3.0
98.21930	0.9
99.00909	1.1
101.02442	7.6
113.02467	4.2
120.36154	0.6
120.42670	0.6
128.98006	0.6
159.02986	0.7
161.02553	0.7
161.04573	5.8
203.33354	0.6
283.91885	0.7
285.04346	0.6
319.21442	2.1
391.23428	30.5
392.23618	2.9
420.75598	0.6
451.13419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.4
57.03465	1.0
59.01387	100.0
60.01719	0.6
61.98835	3.0
69.06268	1.1
69.06675	4.1
71.01389	17.2
73.02957	6.4
77.21745	0.7
83.01412	2.7
84.78408	0.6
85.02957	8.2
87.00878	1.2
89.02465	2.6
91.99331	0.7
95.01396	1.0
99.00903	2.6
101.02464	16.2
113.02473	7.6
129.01978	0.8
131.03571	0.8
136.07742	0.9
143.03552	1.3
159.03053	1.6
161.04568	16.6
161.05830	1.0
162.05032	0.7
225.98035	0.7
319.13028	0.9
365.18317	1.1
391.23434	23.0
392.24023	2.0
451.25714	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	451.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.8
57.34452	0.7
59.01384	100.0
59.05882	0.8
60.01728	1.4
61.01797	1.0
61.98839	5.8
66.60515	0.7
69.73260	0.7
69.85057	0.7
71.01395	9.4
71.32253	1.2
71.95222	0.7
73.02957	3.6
83.01411	2.5
85.02949	3.5
87.00899	1.0
89.02452	5.5
94.66535	0.9
101.02441	9.1
113.02434	3.7
119.03532	2.2
131.03577	1.1
138.05669	1.0
139.30833	0.8
149.04604	1.3
157.08676	0.8
158.06487	0.8
159.03065	0.9
161.04573	5.8
229.14517	0.9
229.41129	0.7
232.38850	0.8
319.00424	0.9
319.17859	1.6
319.21457	3.2
390.34872	0.9
391.23364	9.3
403.18008	1.0
451.21326	1.9
451.25867	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	451.329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	0.5
58.85922	0.2
59.01376	0.3
69.23252	0.6
69.23660	0.3
80.05066	0.5
81.03463	9.8
82.03815	0.2
82.06619	0.8
83.05033	28.2
84.05365	0.5
84.84993	0.2
100.07699	0.4
107.06192	0.8
108.04597	0.9
124.01653	0.2
125.02439	0.3
125.07224	3.5
126.05598	0.6
133.02943	0.3
143.08264	2.0
149.99643	0.2
157.13449	0.2
161.02446	1.5
162.02817	0.4
163.02788	0.2
168.00694	0.3
179.72853	0.1
190.02783	0.2
207.15045	4.2
208.13454	0.3
224.17686	5.5
225.16093	13.4
226.16498	0.8
242.18721	1.5
250.15530	0.4
266.19003	0.2
268.16617	0.3
269.04587	1.0
270.02417	0.1
270.04935	0.6
290.22418	0.3
306.21783	0.3
307.23993	0.2
309.21838	0.6
324.26572	1.8
325.26990	0.2
333.22958	4.6
334.23270	0.3
339.27643	0.2
341.06390	0.3
351.24124	1.0
367.27112	1.5
406.31171	0.2
433.31870	6.3
434.32266	0.4
450.61874	0.3
451.32916	100.0
452.33252	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	452.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98838	100.0
69.75450	1.1
71.01405	0.9
71.05026	2.5
75.00907	0.3
76.05854	0.3
78.30867	0.3
83.01432	0.4
97.02975	0.6
99.00922	0.4
101.02442	0.5
112.98838	0.6
113.02460	0.8
115.04027	10.4
115.49528	0.3
121.71477	0.3
148.93617	0.3
155.02115	0.5
157.03696	0.3
197.03088	0.5
223.08386	0.5
231.03241	0.4
235.61345	0.3
255.55623	0.3
304.90094	0.3
325.17923	0.3
327.90552	0.4
337.21518	0.3
393.09052	0.4
452.09360	1.7
453.10706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28338	0.3
61.98835	100.0
69.48904	1.6
90.63450	0.3
91.84109	0.3
108.20293	0.3
167.53163	0.3
170.75037	0.3
172.58020	0.3
180.83688	0.4
180.85367	0.3
184.85376	0.3
192.55722	0.3
217.26869	0.3
300.62592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98237	0.3
61.71735	0.3
61.98836	100.0
65.34078	0.3
69.56567	0.8
419.19858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98541	0.4
69.42223	2.1
78.95959	0.4
133.42288	0.4
233.77530	0.4
413.62051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83049	0.4
61.98836	100.0
69.42176	1.1
69.42570	0.7
72.35548	0.4
88.13848	0.4
94.94644	0.4
100.93408	0.7
105.01945	1.3
115.92091	1.3
116.92908	1.0
127.49574	0.4
127.99699	1.3
172.95517	0.5
270.15909	0.4
279.23315	31.4
280.23669	2.4
284.11874	0.4
330.94720	0.5
364.21060	15.4
365.21423	0.9
367.25000	2.3
419.35098	0.4
449.31540	0.5
452.22687	9.7
453.23010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2785
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
50.01439	0.2
62.96404	0.3
71.20770	0.2
78.95911	18.5
107.56259	0.2
107.60359	0.2
122.00169	0.9
134.98561	0.3
140.01204	5.1
152.99579	1.1
166.02780	0.3
195.28777	0.2
196.03810	9.4
197.04124	0.2
214.04831	1.5
255.23312	100.0
256.23657	6.9
305.29861	0.2
384.77826	0.2
452.27850	22.4
453.28079	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	8.3
59.01372	12.2
61.06606	2.3
61.98817	5.7
69.03458	3.7
71.01373	3.3
81.03448	3.7
83.01382	6.2
92.89918	3.2
93.03424	3.2
95.05022	4.0
97.02949	2.7
99.04523	4.7
101.02468	4.5
103.14691	2.1
108.02190	2.5
109.02937	3.7
117.48168	2.6
117.49004	2.3
120.66591	2.3
121.02966	4.0
122.03718	3.1
123.04489	4.9
125.02450	32.7
135.04538	5.2
135.91492	2.7
137.02449	31.4
145.02898	3.6
146.03738	6.7
149.02386	2.9
149.05898	2.5
161.02367	3.4
161.04579	2.9
163.00363	2.9
164.01129	4.1
165.01921	27.1
167.03528	33.7
169.06532	4.7
172.05251	6.6
173.06068	5.2
177.01886	3.9
183.04437	5.0
184.05003	2.5
185.06096	4.3
187.07605	7.9
188.08405	8.7
197.04340	4.4
197.06079	37.9
199.03987	11.0
199.07649	5.9
200.04730	4.0
201.05519	5.6
203.03548	2.8
212.04781	2.3
213.05609	16.2
214.06352	13.4
215.03732	4.5
215.07140	90.7
215.09230	5.5
216.07515	4.1
217.05045	33.0
222.96997	4.4
224.04695	5.6
224.77509	2.4
225.05545	38.0
226.02696	2.8
227.03459	18.8
228.04283	11.2
229.05054	3.7
237.05528	4.4
241.05035	20.1
242.05602	3.9
243.06633	100.0
244.06981	7.3
246.05333	2.9
251.07434	2.9
253.05034	4.8
255.06619	8.1
259.06085	5.7
261.39590	2.3
265.04953	7.3
266.05734	2.9
269.04465	4.3
271.06110	12.2
273.14899	5.9
277.08655	3.6
281.04642	3.1
281.08096	2.9
283.06104	10.5
287.05664	28.3
291.15952	25.7
304.07324	2.6
305.08176	6.6
307.06201	3.5
315.05096	46.8
316.05508	4.0
321.07748	3.4
323.09177	8.0
325.06985	3.0
327.05075	8.6
331.07114	2.8
347.05563	3.1
347.09210	11.4
349.06903	5.5
365.10397	3.5
367.08020	6.6
373.06949	7.2
391.08237	24.1
409.09247	22.2
417.05731	3.2
435.07080	11.5
453.07813	13.4
453.21878	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	453.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86856	1.6
59.01379	10.0
60.18608	1.5
71.01370	5.6
72.99286	2.1
78.95898	4.8
83.01386	2.0
83.04996	2.7
89.02451	5.5
91.05541	93.2
92.05846	2.9
109.02951	7.2
118.40235	1.8
121.02980	7.5
123.04544	5.3
125.02454	7.8
134.03828	2.0
134.50626	1.6
135.04533	82.1
137.02470	3.7
149.02405	2.1
151.03966	5.2
159.06587	2.3
160.04012	1.9
161.05972	2.2
163.04022	100.0
164.01123	2.0
164.04436	6.8
165.01909	5.6
178.05096	21.1
179.03468	2.4
185.06085	4.3
187.03928	2.3
201.03856	1.9
201.05644	1.9
203.07133	5.0
205.05144	3.7
229.05074	3.4
245.08209	3.9
247.09676	2.1
273.03946	2.9
289.07153	19.8
290.07529	2.3
290.79288	1.9
291.08493	6.1
310.10272	2.1
345.26996	1.9
430.54886	1.8
453.14249	5.0
453.23013	3.4
454.13556	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	453.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77408	10.9
53.70816	10.2
59.01386	100.0
59.97844	10.3
61.98840	20.0
62.09070	10.7
65.89421	12.3
70.56094	22.5
71.01393	47.2
72.98124	11.0
73.02933	15.8
73.10259	10.5
77.98900	12.3
78.95906	85.4
81.03461	10.9
85.02952	34.8
87.00880	20.4
88.98807	26.8
89.02473	44.2
96.96981	48.2
97.02951	15.6
97.97374	11.0
101.02441	18.9
109.02986	75.7
113.02482	21.8
116.76384	12.4
119.03486	12.0
121.02967	14.1
123.04559	25.4
125.02486	23.8
126.77621	11.5
128.03542	18.9
129.04094	12.8
133.02977	36.1
135.04517	17.8
137.02489	28.5
149.02493	16.2
151.04012	15.8
161.02417	19.3
165.01982	15.6
167.03438	15.3
170.78221	11.3
177.01955	17.0
179.03548	31.6
193.05226	12.5
216.33656	11.7
229.05032	13.6
230.99860	28.9
245.08199	17.2
273.04053	11.5
275.05939	15.4
275.99487	21.8
289.07147	29.7
290.07608	14.5
291.01947	21.1
291.07788	19.0
314.17300	13.1
373.00378	16.6
415.12637	13.9
417.13843	17.5
453.10202	28.7
453.23584	45.6
454.12131	12.2
458.09189	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1559
Annotation	nigrasin C
Peak:m/z	Relative Intensity
61.98811	4.1
117.03433	2.8
118.04251	5.3
134.03775	1.7
157.05867	1.4
161.02463	2.0
161.55417	1.2
162.03134	3.9
173.02373	1.3
176.01151	4.6
189.01956	22.4
190.02713	32.6
201.01939	29.2
202.02646	6.6
205.01509	1.4
215.03473	1.6
217.01428	1.6
222.01706	3.1
225.05521	3.3
227.07120	6.3
228.04274	1.5
229.05063	4.9
230.05766	3.8
243.06671	11.0
244.04863	1.7
244.07416	45.7
245.08200	100.0
246.08560	5.5
323.42838	1.4
453.15601	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	453.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33397	0.7
59.59382	0.8
70.85782	1.7
99.92591	4.1
100.93371	33.2
101.93395	1.2
115.73692	0.8
115.92087	100.0
116.44391	0.9
116.92076	4.6
116.92867	5.6
121.74194	0.9
121.75057	0.8
132.92320	1.1
172.95480	14.0
173.95570	1.6
322.25806	1.0
379.15723	1.0
405.17169	1.6
435.18439	2.1
453.19473	7.2
454.19397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91601	3.5
59.62026	2.9
70.75991	3.2
71.01366	11.9
75.63648	3.4
80.70833	3.5
83.57975	4.1
84.93866	4.3
92.69860	3.3
94.79453	3.9
99.92595	39.0
100.92733	5.6
100.93386	59.8
101.93392	4.4
115.92093	100.0
116.92160	4.7
116.92867	92.3
122.89459	3.4
163.11290	10.0
163.93636	3.2
172.95502	66.5
210.03859	3.7
365.14539	3.4
438.08350	3.8
453.19482	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	453.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
56.13559	1.7
58.00599	1.8
59.01387	100.0
61.98830	14.6
63.35487	1.5
65.89777	1.5
69.08514	8.9
71.01390	51.7
73.02975	11.2
83.01409	2.0
85.02961	5.7
87.00883	6.5
89.02456	72.8
99.00878	1.8
101.02460	36.2
113.02465	12.9
119.03506	6.7
121.03027	1.8
125.02444	2.8
131.03516	31.4
137.06062	2.9
149.00912	1.8
149.04581	63.7
161.04564	3.9
179.05605	2.2
185.07761	1.6
191.05673	15.3
195.80643	1.7
201.01955	4.8
246.11258	2.5
247.11810	2.6
278.66586	1.9
292.65656	2.0
321.19040	4.1
322.13000	2.6
393.13181	3.0
393.17770	32.7
393.22852	1.3
394.18036	2.0
453.13669	2.9
453.23380	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	453.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.6
57.03445	2.7
57.63758	1.2
59.01386	70.0
61.98838	2.9
65.04656	1.3
69.03470	1.7
69.65297	4.3
71.01393	35.8
71.67593	1.1
73.02957	16.1
83.01390	7.4
85.02953	17.1
87.00890	3.0
89.02457	19.5
95.01394	1.9
97.02918	1.6
99.00911	4.1
101.02459	37.6
103.04057	1.3
113.02467	16.9
115.04037	1.4
119.03544	2.4
121.02982	7.5
125.02484	3.7
131.03502	10.0
143.03534	2.1
148.04065	7.9
149.04549	4.0
159.03072	2.5
161.04576	12.5
163.06154	1.7
187.52283	1.5
194.81786	1.6
220.15785	1.5
220.79071	1.5
247.11812	7.1
261.13464	24.0
262.13818	1.6
393.17712	100.0
394.17905	9.6
453.19656	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	453.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
56.19754	1.9
59.01387	100.0
61.98842	25.4
69.30312	9.9
71.01388	45.1
72.99294	2.9
73.02960	13.1
83.01371	3.5
85.02973	10.4
87.00871	5.8
89.02459	73.9
94.29745	1.5
95.01427	1.9
96.96004	2.7
97.02994	1.7
98.21895	3.1
101.02458	33.4
111.00922	1.6
112.98821	2.8
113.02461	8.5
119.03493	5.4
121.02975	2.4
125.02547	1.7
131.03525	31.9
133.02965	4.6
135.04568	6.4
149.04573	59.4
159.10219	1.6
161.04573	4.8
177.01894	3.1
179.03522	5.2
179.05611	4.1
191.05629	12.2
201.01987	8.8
263.74985	2.0
321.19153	3.3
329.31577	1.8
393.17764	31.8
393.23328	2.6
394.18268	1.7
453.13763	10.7
453.23563	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	453.2263
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
59.01374	34.2
73.64754	24.5
83.97492	25.1
96.68457	23.0
98.21872	100.0
453.22366	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	453.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17332	6.3
59.01384	100.0
66.56386	6.1
69.68566	24.3
71.01385	60.0
85.02948	12.5
89.02454	68.9
96.96024	17.2
101.02438	30.8
113.02481	16.3
119.03543	34.5
157.56726	6.5
161.04517	10.6
177.01968	6.6
179.05598	12.6
182.02219	7.8
237.30612	7.3
246.56876	7.1
267.06497	10.5
288.18686	7.2
290.07217	9.0
291.12366	18.7
291.15897	17.2
323.05322	10.0
326.07858	9.4
338.07825	9.3
341.10257	16.4
353.10220	22.4
453.12286	17.0
453.24521	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29457	5.1
55.65267	5.2
58.30748	5.3
61.38869	4.9
68.11697	6.2
69.72868	5.6
70.09712	12.5
74.75822	5.3
99.92584	13.5
100.93374	47.8
101.93384	45.1
102.93204	45.8
102.93795	10.9
115.92094	100.0
116.92102	81.7
116.92867	11.4
117.91892	74.9
119.21527	5.6
403.87460	6.9
453.33853	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	453.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24065	65.3
60.40123	63.3
68.24599	73.5
70.94389	100.0
75.68248	77.7
82.98078	77.0
93.84565	72.9
93.86463	61.6
130.87346	72.6
226.49312	68.8
238.63564	71.0
356.21518	75.3
407.84155	71.4
429.07693	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79148	97.8
78.01506	100.0
108.14122	97.6
109.55200	87.3
113.13637	86.7
141.91124	82.4
216.15640	87.8
272.09772	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3369
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
59.01368	0.5
59.54610	0.3
61.13670	0.3
61.98815	0.4
69.03448	0.6
77.51457	0.3
78.95961	0.3
96.95998	0.5
106.99375	0.3
130.55843	0.3
239.02367	1.4
243.06642	0.6
285.19879	0.3
314.06851	0.8
327.16083	0.5
347.15366	0.3
367.86749	0.3
380.88974	0.3
393.19601	4.5
405.31528	0.4
429.57239	0.4
453.33749	100.0
454.34076	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	453.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05706	0.3
68.50176	0.3
69.45045	1.0
92.19830	0.3
93.67852	0.3
95.04143	0.2
97.06606	0.3
97.29938	0.3
144.88245	0.3
206.42818	0.3
216.76300	0.3
222.66701	0.3
393.94516	0.3
405.31763	0.4
407.33176	1.9
453.33746	100.0
454.34103	13.6
454.38947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3376
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
52.63822	0.5
58.52036	0.5
71.03550	0.6
111.26247	0.5
300.47992	0.5
396.94940	0.6
453.33759	100.0
454.34070	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48564	0.7
57.19443	0.7
61.98836	100.0
64.48051	0.7
70.34744	0.5
70.42920	1.1
79.52766	0.7
125.42513	0.7
147.18376	0.6
211.35257	0.6
215.50294	0.7
225.38400	0.8
249.90598	0.7
296.60953	0.7
337.76575	0.7
467.34790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
66.17527	1.1
68.90790	1.1
69.38233	1.9
69.38635	4.7
85.19812	1.0
87.19654	1.1
194.66045	1.1
248.86250	1.2
250.01471	1.0
419.98795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0979
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
57.03436	0.5
59.01378	3.4
61.98843	0.5
69.68053	0.9
69.68438	0.6
71.01387	3.7
75.00879	0.5
78.95911	84.2
79.74194	0.4
83.01429	0.5
85.02972	1.0
87.00879	0.7
89.02460	2.1
94.85341	0.5
96.96969	100.0
97.27417	0.4
101.02448	1.2
101.06038	0.6
108.69155	0.4
109.02979	0.6
113.02448	1.0
125.02432	0.5
131.03487	1.1
133.02942	0.5
135.04529	0.7
138.98061	3.5
147.04686	0.4
147.06691	0.5
149.01001	0.4
149.04532	0.5
150.68376	0.4
152.62985	0.5
160.02312	0.4
161.02434	0.6
161.04497	1.0
169.67415	0.4
173.08313	0.6
179.03470	0.8
180.99088	0.8
184.08823	0.7
190.23001	0.4
198.06763	1.6
198.98347	0.6
199.00160	10.2
199.03966	0.5
212.08307	4.6
213.01720	9.0
219.10201	0.4
241.07303	3.9
249.07649	0.4
255.08893	5.3
258.24423	0.5
293.08612	0.7
357.08786	1.8
361.83835	0.4
365.44855	0.4
395.15372	0.8
429.31189	0.4
437.08765	0.5
455.09692	18.6
456.09921	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	455.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.3
61.98840	1.9
71.01393	5.4
73.02960	1.5
85.02953	1.9
87.00889	1.0
89.02454	3.6
93.03475	0.9
96.15198	0.6
101.02452	3.3
105.03466	0.8
107.05048	1.5
108.02193	0.7
109.02993	0.7
112.98792	0.7
113.02457	2.5
115.07653	1.5
119.05029	1.0
121.02958	6.5
122.03307	1.3
125.02489	0.6
125.39375	0.6
131.03529	1.0
132.04559	3.0
133.02977	7.8
134.03754	5.4
135.04541	91.5
136.04883	2.9
137.02452	0.9
145.02971	0.9
148.04065	26.2
149.00838	0.6
149.04431	2.9
153.02028	0.9
161.02460	20.7
161.04553	1.3
177.01955	5.5
179.03519	100.0
180.03838	3.7
203.03577	1.8
229.08710	1.0
247.09682	0.8
249.13466	3.5
261.11295	0.6
265.05035	1.7
267.06537	0.6
277.03464	1.1
293.08826	1.6
370.32535	0.6
395.19342	4.7
411.12955	3.1
421.25385	0.6
455.05640	1.0
455.11823	9.7
456.14804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.56565	0.3
57.03437	1.0
58.50981	0.3
59.01384	17.0
63.26233	0.3
69.03465	2.4
71.01387	8.0
76.60378	0.3
78.95898	0.5
83.01416	0.8
85.02958	2.6
87.00879	1.7
87.04519	0.7
89.02451	8.5
89.28104	0.3
95.01392	0.7
96.96960	0.7
101.02457	5.4
107.04995	0.4
109.02941	0.5
113.02454	7.2
117.03501	0.4
119.03516	3.6
123.04520	0.4
125.02477	0.7
131.03508	3.0
132.02185	1.1
133.02971	23.2
133.05083	1.2
134.03680	0.7
135.04541	9.8
136.04858	0.3
161.02460	100.0
162.02802	3.7
165.55965	0.3
175.04033	0.3
177.01979	0.3
177.05801	0.3
179.03525	6.0
203.03499	0.8
275.07782	0.4
293.08829	37.2
294.09174	2.0
336.34039	0.3
399.42352	0.3
400.33948	0.3
455.11957	13.6
456.12140	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	455.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.2
69.03454	0.4
69.10568	2.3
70.67739	0.4
71.01393	3.1
76.25631	0.4
83.01387	0.6
85.02970	1.3
87.00881	1.0
88.30859	0.4
89.02467	2.9
89.03976	0.6
91.05568	0.5
101.02457	1.7
105.03484	0.5
107.05043	1.2
113.02451	3.1
117.03495	0.6
119.03526	1.3
131.03445	0.6
132.02205	0.6
133.02972	16.8
133.05103	1.6
134.03787	4.8
135.04538	81.6
136.04860	3.1
137.02449	0.7
147.04492	0.5
151.98540	0.4
161.02457	54.3
162.02762	1.9
177.01942	7.8
178.02466	0.7
179.03508	100.0
180.03856	4.1
203.03462	0.4
235.97510	0.4
277.03537	0.5
281.06766	0.8
293.08841	11.3
321.06067	0.7
411.13132	2.6
455.11957	18.3
456.12463	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	455.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07485	0.9
57.05388	1.0
59.01382	24.2
61.98819	1.1
69.03448	3.9
70.59989	1.4
71.01387	14.4
72.99287	1.0
73.02961	1.5
82.95406	1.3
83.05039	1.9
85.02961	2.9
89.02452	13.3
96.96066	1.0
101.02457	10.9
107.05029	2.3
109.02956	18.5
111.04530	1.3
113.02445	12.2
119.03474	5.4
121.02936	8.0
123.04512	1.2
131.03537	2.3
133.02945	4.7
134.03745	4.6
135.04538	100.0
136.04865	2.4
148.04068	3.3
161.02473	13.6
161.04572	1.3
161.06055	2.5
179.03508	91.0
180.03859	3.8
185.06091	1.7
187.07674	5.5
205.08658	3.4
231.06639	23.9
231.08949	1.4
232.06822	1.2
249.07652	1.9
275.07822	1.9
275.26172	1.0
291.47015	1.1
293.08801	15.5
317.08704	3.7
347.10239	1.2
351.11063	1.2
353.19330	1.0
353.65894	1.1
370.05649	1.2
395.10217	4.0
411.12863	6.6
449.84604	1.1
455.11990	6.1
456.13596	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	455.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63737	0.4
52.35364	0.4
53.32811	0.5
55.01902	0.5
57.03447	0.8
59.01381	15.5
63.25239	0.5
69.03457	2.8
71.01383	7.6
71.46665	0.4
72.99328	0.6
73.02948	0.5
78.95914	0.9
83.01405	0.5
85.02958	2.2
87.00896	2.3
87.04515	0.6
89.02445	7.7
99.04523	0.5
101.02450	6.4
105.03428	0.8
109.02998	0.9
113.02462	7.1
119.03529	2.8
122.38288	0.5
124.07664	0.5
125.02435	0.8
131.03517	3.5
132.02193	1.3
133.02962	25.0
133.05132	0.8
134.03612	0.9
134.71483	0.4
135.04532	10.3
137.02463	0.5
137.91084	0.5
150.31807	0.4
151.04073	0.4
161.02452	100.0
162.02803	4.6
175.04126	0.5
179.03487	6.3
180.03824	0.5
203.03482	1.4
205.22438	0.4
293.08804	39.5
294.09216	1.8
455.11841	17.2
456.12173	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	455.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.1
57.15818	2.9
59.01383	100.0
69.03477	6.0
69.07056	10.1
69.07475	11.1
71.01385	64.3
71.29027	2.8
73.02964	9.4
83.01398	3.0
83.05038	32.7
85.02965	12.9
87.00897	9.5
87.04487	2.6
89.02454	62.3
93.03463	10.4
95.01405	4.2
101.02450	54.3
109.03002	5.8
110.27175	3.0
111.04532	29.9
112.01778	4.5
113.02452	38.5
119.03481	23.9
123.04562	6.5
127.03978	3.0
130.99542	3.0
131.03531	13.6
133.05125	3.0
137.02469	14.2
141.05585	3.5
155.03549	10.7
157.78935	3.2
161.04625	4.2
166.10123	2.8
167.03542	4.7
176.18953	2.8
179.05597	4.0
259.18127	3.3
275.07657	13.3
277.18542	2.7
293.08795	94.3
294.09186	3.5
317.08780	60.9
318.09232	5.1
347.09741	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	455.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.5
59.01384	80.3
59.35612	2.3
69.03460	10.3
71.01391	60.8
73.02949	12.1
83.01413	7.8
83.05026	8.8
85.02953	22.3
87.00902	13.3
89.02454	49.4
93.03487	4.7
95.01399	7.5
97.02959	2.7
101.02451	46.2
111.04507	12.8
113.02456	54.2
119.03520	19.0
119.05031	4.1
123.04566	3.4
131.03505	21.9
136.71967	2.3
143.03526	2.5
143.40872	2.6
155.03549	4.8
161.04543	13.2
163.03998	4.4
170.37683	2.7
179.05589	10.6
180.06647	16.8
221.06688	9.0
275.07690	7.4
293.05518	2.9
293.08804	52.4
317.08908	20.1
347.09787	6.8
369.50974	3.1
455.14059	100.0
456.14450	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	455.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55013	0.8
55.01882	1.8
57.03461	4.4
59.01385	45.6
63.40025	0.7
69.03455	7.2
69.11188	4.6
69.11594	1.7
69.51292	0.8
71.01388	38.9
72.99307	1.6
73.02954	7.2
75.00860	1.0
83.01389	3.1
83.05051	4.9
85.02956	23.2
85.38137	1.0
86.03299	0.9
87.00887	6.2
87.04517	2.5
89.02450	27.3
93.03474	2.6
95.01361	6.2
95.05032	0.9
97.02963	2.1
98.21864	1.3
99.00914	3.2
99.04550	0.9
101.02452	25.6
109.02957	1.3
111.00891	1.6
111.04517	6.5
112.01694	1.4
112.98842	1.4
113.02460	55.3
115.02070	1.1
119.03506	9.1
123.04518	1.4
125.02489	1.3
129.01979	1.5
131.03510	14.4
133.05080	2.7
135.04565	1.1
137.02509	1.5
141.05592	0.9
143.03519	2.3
155.03516	1.6
161.04607	5.5
167.03439	1.2
172.73169	1.0
179.05685	4.7
187.02438	1.0
221.06732	4.0
275.07788	3.8
293.08844	22.1
294.09143	1.2
317.08795	11.3
347.09891	2.0
455.14127	100.0
456.14432	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	455.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03465	1.1
58.02962	0.9
59.01383	9.4
61.98828	2.4
69.03464	0.9
71.01388	11.1
73.02950	1.7
74.02482	1.6
74.32925	0.6
78.95908	0.7
79.90942	0.6
82.02997	0.9
82.95391	0.5
83.05048	0.7
84.04559	1.9
85.02963	1.4
87.00892	2.0
89.02447	3.2
89.58265	0.6
97.06601	7.1
99.00889	16.8
101.02451	5.4
105.03481	0.8
109.04106	3.2
112.98797	0.8
113.02457	1.8
119.03523	2.0
121.03026	0.9
123.04524	1.2
127.05154	14.2
127.06081	0.9
128.03563	3.5
133.02974	5.1
134.03757	100.0
135.03102	0.6
135.04588	11.2
136.05283	1.0
137.02455	2.0
145.06218	10.6
147.03008	24.5
149.00890	0.7
151.07672	0.8
153.09216	1.1
161.02512	0.8
161.04593	0.7
165.12891	1.2
169.12392	0.9
170.30611	0.7
177.01945	6.6
178.02733	19.6
179.03413	2.8
183.13931	1.7
197.08353	1.0
203.10651	0.8
210.14949	1.4
227.12929	1.5
231.10291	4.2
233.05539	0.6
249.19760	1.7
275.09326	10.1
294.07761	1.1
305.17712	1.4
307.11911	61.6
308.12192	3.6
323.14960	0.9
323.18674	17.6
324.19107	1.7
353.53128	0.7
437.26349	2.1
455.16663	2.2
455.27698	29.5
456.27698	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.6
57.03451	3.2
58.00582	1.0
59.01387	55.4
65.11242	0.5
68.99835	0.7
69.03456	2.2
70.49913	0.9
71.01389	100.0
72.01731	1.1
72.99312	1.4
73.02953	14.6
73.19736	0.4
75.00883	1.0
81.03472	1.3
83.01395	6.6
85.02960	19.1
85.06592	0.7
86.00105	3.5
87.00883	10.8
87.04524	2.9
89.02453	41.8
90.02766	0.5
95.01402	2.3
97.02972	3.8
99.00885	5.3
99.04574	0.6
101.02455	31.1
101.06093	2.1
103.04034	1.5
109.02997	0.5
111.00892	7.6
113.02457	15.0
115.04026	2.6
119.03524	2.3
121.02969	5.2
125.02454	6.7
129.01941	1.0
129.05597	7.4
131.03517	17.3
132.04578	3.9
135.04523	0.9
137.02452	0.8
141.01994	0.9
143.03510	3.5
147.06651	18.9
148.04062	9.8
149.04558	15.8
159.03012	2.0
161.04572	9.6
173.04622	1.1
173.08200	10.0
179.03574	0.6
191.05670	3.2
201.07736	7.4
215.05582	0.9
233.06664	4.6
245.10472	0.6
263.11377	10.1
291.10934	1.1
293.08868	4.2
395.15607	49.2
396.16116	4.2
423.15137	19.3
424.15387	0.9
455.17755	1.8
456.15170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
57.03451	3.5
59.01386	53.8
67.88255	0.6
69.03458	2.1
69.46983	2.2
70.20674	0.5
71.01389	100.0
72.01727	1.5
72.99315	1.9
73.02953	10.8
75.00881	1.0
81.03468	1.0
83.01392	6.3
85.02960	20.5
86.00100	3.6
87.00888	10.1
87.04530	2.1
88.38920	0.6
89.02454	38.9
95.01406	1.4
97.02956	3.5
99.00893	3.1
99.04485	0.8
101.02453	29.6
101.06099	1.5
102.02831	0.9
103.04019	1.9
103.19272	0.5
111.00893	7.7
113.02462	13.2
115.04034	2.1
119.03523	2.1
123.20318	0.5
125.02467	5.3
125.69504	0.5
129.02000	0.9
129.05602	7.8
131.03522	13.8
135.04524	2.1
137.02475	0.8
143.03531	2.6
147.06651	20.4
149.04572	15.9
149.05473	0.4
159.02977	0.9
161.04578	10.7
173.04648	1.0
173.08199	13.3
179.32481	0.5
191.05585	3.5
200.66269	0.5
201.07700	8.6
233.06685	4.6
263.11356	14.2
264.11768	0.6
291.10809	1.3
293.08871	3.9
323.07520	0.6
332.78922	0.5
346.43509	0.6
395.15610	55.1
396.15930	4.8
423.15097	15.3
424.15570	1.6
455.17508	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	455.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40234	0.3
70.02315	0.7
84.93866	0.6
89.21519	0.4
98.22574	0.5
99.69079	0.3
99.92587	4.9
100.93371	58.9
101.93413	2.1
115.92086	100.0
116.92094	3.8
116.92874	7.5
132.92384	0.7
142.94476	0.6
144.95978	0.4
153.93343	0.3
154.94403	0.9
155.95192	0.6
172.95477	14.6
173.95563	0.4
179.68088	0.3
281.24857	1.2
362.27591	0.4
379.10205	0.4
381.17557	2.0
397.16794	0.7
407.19064	2.2
437.20187	0.6
455.21118	8.2
455.35712	0.5
456.21530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61349	0.5
69.41183	1.8
71.01391	12.9
71.09366	0.4
72.01741	0.5
83.93130	0.6
84.93874	5.6
85.71265	0.5
98.21938	0.6
98.95433	0.7
99.00881	0.8
99.91919	0.7
99.92590	28.9
100.93369	69.6
101.93362	3.5
110.95463	0.6
115.92086	86.0
116.92201	4.3
116.92867	100.0
117.92904	4.8
117.93648	0.8
123.92607	0.5
126.94967	3.5
128.96518	0.7
129.69144	0.4
132.92392	1.1
141.00366	0.4
142.94437	0.9
143.95218	0.8
144.92368	0.6
144.95995	1.2
154.94437	13.8
155.94440	0.6
169.18123	0.4
169.93214	0.5
172.95479	58.4
173.95503	3.5
281.24835	6.3
282.25296	0.6
381.17404	1.2
397.16870	1.3
398.16916	0.7
454.34039	6.3
455.21027	7.0
455.34390	4.5
456.21384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.01612	0.6
57.03446	1.5
59.01383	100.0
60.01722	0.7
60.45580	0.6
60.85852	0.6
61.98848	1.3
69.03471	1.3
69.26342	3.6
71.01389	30.9
72.99284	1.0
73.02952	49.7
74.02496	0.9
81.03460	1.6
83.01390	11.9
85.02962	5.7
87.00887	2.0
89.02452	18.8
95.01400	1.3
97.02984	0.9
99.00881	1.2
99.04532	2.0
101.02453	36.8
113.02454	12.0
115.72393	0.6
119.03509	6.7
125.02471	1.7
131.03508	2.1
135.04539	0.8
143.03520	2.9
149.04585	1.3
153.05679	0.7
155.03563	0.8
161.04593	5.6
171.10297	5.4
179.05588	1.4
233.15475	3.4
267.88794	0.6
287.04034	0.7
373.55054	0.7
395.20529	1.8
413.21835	5.3
455.22867	47.9
456.23001	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	455.2654
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
57.95667	2.6
59.01384	50.0
69.57497	2.4
69.93410	2.3
70.90086	4.5
71.01384	19.8
83.01378	3.0
85.02934	4.6
89.02460	17.5
101.02448	14.7
113.02500	6.3
119.03496	5.9
121.02970	4.5
123.23290	2.3
166.32289	2.6
184.04752	2.3
186.11386	2.6
211.84874	2.5
221.24939	2.4
275.20212	4.9
293.21225	19.1
341.01184	2.6
390.71033	2.4
455.26563	100.0
456.26749	11.5
458.45197	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3169
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
57.03455	2.8
69.03455	1.5
69.30717	0.9
85.78361	0.2
89.51025	0.2
104.82624	0.2
154.69868	0.3
160.84169	0.5
243.06607	0.5
302.00699	0.2
395.29446	0.5
411.32703	3.9
412.33221	0.6
455.31699	100.0
456.32019	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	455.3536
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
61.98832	1.7
71.24487	0.7
78.95900	0.9
93.07699	0.7
96.99780	0.6
108.87756	0.6
152.99640	1.7
159.27113	0.6
160.84265	1.4
169.57817	0.6
251.45000	0.6
408.55423	0.8
448.24854	0.7
455.35406	100.0
456.35724	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	455.3535
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.81400	1.5
60.08658	1.5
70.92214	3.1
73.16270	1.7
74.45288	1.9
83.59040	1.8
221.48315	1.7
237.21996	1.5
255.23326	2.3
301.31329	2.2
455.35376	100.0
456.35779	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	456.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16435	0.2
59.01379	1.0
65.61619	0.2
70.48772	0.3
71.01404	0.4
82.23699	0.3
90.82381	0.3
93.03471	1.1
96.38036	0.2
121.02966	100.0
122.03297	2.8
148.04056	54.2
149.04407	1.8
185.66844	0.3
195.80557	0.3
217.06805	0.3
248.78990	0.3
339.51089	0.3
456.15131	23.2
457.15448	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	456.1515
Annotation	Calanthoside
Peak:m/z	Relative Intensity
59.01370	0.5
70.17957	0.6
71.01374	0.3
73.02952	0.3
79.01886	0.3
86.71682	0.2
93.03467	0.9
99.33205	0.2
121.02967	100.0
122.03316	3.2
148.04059	55.8
149.04390	2.2
240.13460	0.3
359.82114	0.3
456.15134	25.1
457.15375	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	456.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	30.4
59.01382	11.7
60.91560	1.2
61.98843	2.1
62.66662	1.2
70.66441	2.3
71.01370	2.5
78.95908	29.9
78.96341	2.3
80.78841	1.2
87.00916	1.7
90.55457	1.2
96.96968	17.5
97.61694	1.1
98.49603	1.4
99.04530	39.0
100.04881	1.4
101.02453	13.5
115.36839	1.2
119.05054	2.4
121.02952	6.0
128.03552	1.9
135.04515	4.6
136.04829	1.7
137.02496	1.4
148.04091	2.6
149.00996	2.2
150.05666	1.6
161.04573	100.0
161.39140	1.2
162.04904	3.8
162.41049	1.1
168.16316	1.2
175.12376	1.1
179.03511	2.0
180.03651	1.6
191.05663	1.8
196.18404	1.3
269.04666	1.4
280.05777	1.4
357.08945	6.7
456.10336	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	456.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82499	0.4
59.01378	1.1
61.98830	1.1
71.01369	0.8
71.26862	0.4
85.02968	0.7
88.05314	0.3
93.03461	0.8
112.98750	0.4
119.05035	0.6
120.59847	0.3
121.02975	17.0
122.03268	0.5
132.04561	0.5
133.03011	0.6
135.04553	2.8
136.04881	0.9
147.03326	0.5
148.04065	100.0
149.04417	3.6
161.02455	1.3
162.03207	1.2
163.04039	0.9
177.01939	0.5
177.05560	1.8
179.03558	2.3
180.03763	0.8
216.38313	0.4
223.07697	0.7
225.14957	0.3
267.06610	1.8
269.04547	1.0
324.07959	0.4
352.74408	0.4
358.09085	0.4
456.09024	0.7
456.15176	11.6
456.21646	0.7
456.28290	0.6
457.15500	1.0
457.21909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
59.80527	0.2
61.98833	0.5
63.77425	0.2
71.01382	0.7
71.21017	0.2
71.41012	0.3
73.02951	0.2
85.73332	0.3
87.00876	0.4
87.06657	0.2
87.68197	0.2
89.02473	0.3
93.03458	0.8
101.02451	0.4
121.02971	16.3
122.03323	0.4
132.04640	0.3
133.19612	0.3
135.04524	0.6
136.19122	0.3
137.02522	0.3
148.04063	100.0
149.00923	0.8
149.04411	3.5
163.03929	0.3
179.03496	0.4
204.53963	0.3
207.18678	0.3
219.94725	0.3
253.05086	0.7
263.12961	0.3
306.04028	0.4
325.13052	0.3
345.56888	0.3
456.15167	5.5
456.28506	0.3
457.15436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08275	1.4
58.00597	2.1
59.01384	23.9
61.98839	7.7
62.59428	1.4
68.04952	1.6
69.22510	6.6
69.22913	2.8
71.01376	5.6
73.02940	7.4
74.02489	1.8
85.02947	2.5
87.04518	7.7
89.02436	2.1
95.22433	1.4
97.02936	1.9
98.22673	3.2
101.02444	11.9
114.05638	1.6
131.03462	1.5
133.02888	1.6
135.04544	8.6
135.08080	1.5
137.02380	1.6
137.09726	17.5
140.75742	1.7
155.10793	100.0
161.04520	2.5
169.12381	4.3
179.03569	2.4
181.08714	2.9
194.51630	1.4
199.09773	94.5
213.11336	4.4
241.10847	21.3
253.10945	1.7
271.11816	4.1
301.12973	19.1
325.20096	1.5
361.14948	6.0
391.11801	1.7
456.21097	2.3
457.11322	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	456.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	16.5
59.26973	1.5
61.98832	3.6
69.72845	1.4
70.42297	1.2
71.01373	5.0
71.41905	1.4
73.02972	8.3
74.41003	1.2
75.00904	1.4
78.92560	1.3
85.02952	2.5
87.04529	6.6
89.02445	1.6
97.02979	1.5
101.01887	1.3
101.02441	8.6
104.03503	1.3
113.02465	2.1
121.03018	1.4
135.04514	5.3
135.08177	1.7
137.09724	17.6
148.04106	1.8
155.10796	100.0
169.12340	3.2
179.03539	2.3
181.08791	2.1
199.09776	99.3
213.11325	4.9
215.34456	1.4
224.66571	1.4
241.10867	19.9
271.11819	3.6
301.13016	16.9
325.20120	1.4
361.15063	3.1
464.10687	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.3
59.01382	28.8
61.98830	3.0
68.99804	1.4
69.00939	1.4
70.81906	1.6
71.01389	11.4
72.99319	3.5
73.02949	2.4
74.02480	1.7
85.02946	2.8
87.00886	18.2
89.02455	8.3
93.03437	1.8
96.96004	1.5
101.02438	3.9
103.00360	5.3
105.03490	1.4
107.05022	3.2
109.02985	7.9
111.00887	3.1
112.98817	23.0
113.02447	4.5
115.00407	2.1
117.03432	1.7
119.05036	52.9
120.05382	1.9
121.02955	2.9
121.06570	3.6
123.04543	1.5
124.14345	1.6
130.99881	2.9
133.02948	13.3
133.05042	1.2
134.03786	6.9
135.04538	48.6
137.02446	3.9
138.40732	1.3
139.00412	3.4
145.02969	5.9
147.04521	7.2
147.57527	1.3
149.00931	39.0
149.04567	1.8
149.06053	1.3
151.03981	2.1
155.10741	1.7
159.04500	2.1
161.02449	23.4
161.06017	3.4
161.07242	3.7
163.04016	100.0
164.04372	2.3
165.05562	2.3
170.80035	1.4
171.04552	2.5
174.03188	2.7
175.03973	5.1
177.01891	3.9
177.05554	2.0
179.03516	29.1
179.05081	1.6
180.03917	2.5
187.04028	1.6
189.05553	1.7
191.03418	3.8
203.03561	7.6
205.05115	2.6
215.03580	3.3
219.03006	12.0
227.03551	2.2
231.81607	1.3
234.05502	2.8
239.07150	2.0
255.03011	5.3
256.61807	1.4
277.03513	7.4
277.06012	2.8
280.05988	3.7
281.06601	9.7
283.02502	4.0
285.04138	8.9
291.04996	4.5
293.03018	14.5
295.04651	27.4
295.10284	4.5
297.07498	1.5
304.05911	2.7
326.06680	1.7
326.16705	1.6
341.06741	6.8
353.10123	1.6
376.08099	2.2
376.58228	5.0
377.08908	1.8
397.11047	2.9
425.36053	1.6
457.12479	2.8
457.18222	9.7
458.11234	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	457.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57598	1.8
56.05652	1.9
59.01386	46.5
66.65723	1.9
69.80271	4.0
69.80636	3.9
71.71510	1.8
72.99319	20.2
83.77545	1.8
87.00880	7.2
89.02482	1.9
101.02451	7.8
103.00377	40.1
112.98804	3.3
113.02474	2.1
115.00392	5.5
128.93034	2.0
130.99890	6.4
137.05812	1.9
145.01424	19.7
163.02499	100.0
226.79985	2.2
310.04285	2.2
457.14716	3.4
458.06400	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75838	1.0
59.01384	11.5
61.98825	4.3
62.99500	1.3
69.19419	6.4
71.01385	1.9
74.02472	3.6
81.21371	1.1
85.02944	2.2
101.02441	1.5
106.24873	1.3
113.02474	1.6
121.02988	1.2
126.33916	1.2
128.03545	1.3
135.04543	2.8
135.11815	2.2
150.48279	1.3
179.03505	4.0
179.10817	3.7
189.01936	17.4
195.15807	1.1
201.01964	20.0
215.03610	1.8
225.05577	2.0
227.07161	6.4
229.05034	2.2
243.06621	6.3
244.07410	32.0
245.07907	2.0
259.09760	100.0
260.10117	5.8
315.02884	1.2
382.06421	1.4
387.95145	1.3
457.29266	3.0
466.65878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69756	0.9
59.01384	13.5
60.13655	0.8
61.98841	2.3
71.01388	4.9
71.41495	1.1
73.02939	1.6
75.90268	1.0
80.42109	0.9
85.02960	3.6
87.00894	1.5
96.96021	4.2
99.00927	1.0
99.04532	13.2
101.02457	2.0
105.01953	5.7
109.02952	1.4
110.97604	1.0
113.02443	1.3
124.97610	1.0
125.02414	1.6
132.04541	0.9
135.04514	3.3
136.05180	1.1
137.06090	9.0
145.02985	1.0
148.04109	1.1
150.06866	5.9
161.02458	1.9
161.04564	2.0
163.04086	1.9
163.07730	1.7
164.08441	100.0
165.09216	36.9
166.09612	1.4
174.63301	1.1
177.01898	1.1
179.03534	3.5
179.07150	7.4
203.05684	1.8
267.06989	1.1
269.04575	2.8
368.19876	1.1
413.14456	3.0
457.11981	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82132	0.5
55.01856	0.5
57.03452	35.6
58.03783	0.8
59.01384	7.7
61.98832	1.5
63.92259	0.5
69.61261	1.2
71.01375	1.7
72.99316	7.7
73.02942	0.8
75.00886	0.6
81.03468	0.5
83.01412	0.7
85.02946	1.0
89.02464	0.9
91.01904	5.4
92.02668	1.2
93.03463	6.2
98.21906	0.9
99.04524	22.0
100.04842	0.9
101.02452	6.7
107.05027	1.4
108.02163	0.6
109.02949	0.9
113.02436	0.9
119.01368	2.3
121.02969	10.0
125.02452	11.3
125.03321	0.8
133.02956	1.3
135.04494	0.6
136.01680	0.9
137.02463	8.1
143.03467	0.6
143.45128	0.5
149.02460	1.4
149.06062	3.5
151.04019	100.0
152.04353	4.3
153.02075	0.6
155.46391	0.5
161.02446	1.4
161.04608	1.3
163.03883	0.6
179.03531	0.5
214.27515	0.5
226.04735	0.7
269.04480	2.3
281.06784	1.7
285.04047	0.7
295.06177	0.5
295.11908	0.6
325.20126	0.5
370.09055	0.6
394.73337	0.5
422.22949	0.6
457.17401	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	457.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70249	1.9
53.73248	1.9
59.01385	76.2
70.40017	2.0
71.01386	54.0
71.05032	18.5
71.40974	2.6
73.02962	3.6
85.02977	9.2
87.00871	4.9
88.81248	1.7
89.02456	70.7
97.02959	4.9
101.02466	25.0
110.36531	1.9
113.02461	26.7
115.00382	4.2
115.04021	53.2
119.03521	25.1
119.04877	2.3
121.02968	9.7
122.03288	2.7
131.03505	5.6
131.45940	2.1
135.04585	3.8
143.03499	5.9
148.04016	2.4
149.04451	2.4
161.04605	7.1
179.03484	2.3
179.03955	2.7
179.05649	33.0
191.05676	2.1
260.03119	2.0
278.13922	1.9
307.56119	2.3
341.10910	100.0
342.11142	6.4
457.14755	3.0
458.06815	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	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.03451	1.5
58.00591	1.5
59.01386	100.0
59.27726	1.0
61.98833	3.3
65.02614	1.2
69.03461	7.5
69.38339	5.6
70.33400	1.1
71.01387	69.9
72.04603	1.1
72.99326	2.9
73.02946	11.7
75.00879	2.9
77.49705	1.1
81.03471	3.1
83.01404	4.3
85.02966	10.7
87.00900	3.3
89.02453	89.7
90.02814	2.1
93.03455	1.7
95.01411	1.2
96.96000	1.8
97.02966	11.9
98.11338	1.2
99.00888	15.9
99.04523	2.8
99.08164	3.0
101.02452	15.1
109.02973	2.7
110.74561	1.2
111.00900	3.4
112.26456	1.3
113.02441	10.2
115.04025	6.1
119.03529	2.8
121.02973	3.5
123.04548	3.2
125.02454	41.0
127.04013	1.8
127.07656	4.0
130.08755	2.0
131.03532	9.3
133.02966	2.5
134.03867	1.7
135.04556	11.6
137.09749	1.6
143.03525	2.9
148.05321	52.7
149.04590	10.8
149.05653	2.5
153.05582	2.8
155.10782	4.3
161.02502	6.5
161.04564	3.3
163.07666	15.1
173.04564	1.3
179.03491	12.0
191.05579	10.2
199.09776	3.9
211.37166	1.4
217.00192	2.0
233.04321	1.7
233.06668	31.8
233.08873	2.7
234.07008	1.7
240.94263	1.3
255.03055	2.3
269.04596	5.1
285.04059	2.6
293.08844	24.0
306.07391	1.4
325.20218	2.1
325.88547	1.5
364.65485	1.3
458.11270	2.9
473.58020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09372	0.7
50.47741	0.7
57.03436	1.2
58.00615	1.1
59.01381	12.4
69.30375	3.6
71.01403	3.4
73.02946	6.1
81.03483	0.8
83.01389	0.9
85.02982	1.9
87.04517	8.1
89.02458	0.7
95.05048	0.9
97.02988	0.9
98.21870	1.6
101.02451	9.5
104.03580	0.7
109.06722	0.9
113.02499	1.2
123.04533	0.9
125.02515	1.2
135.08165	2.0
137.02452	2.9
137.09726	21.4
138.10071	1.2
139.11334	2.0
145.03032	0.9
155.10791	99.9
156.11122	3.8
161.04637	1.2
165.01923	5.8
169.12358	5.3
173.14505	0.7
179.03490	1.0
181.08762	4.1
199.09769	100.0
200.10147	4.7
213.11398	4.9
241.10822	23.7
242.11160	1.3
253.10840	1.3
268.11639	0.7
271.11850	3.7
277.10757	1.2
288.06400	1.7
301.12970	17.9
361.14990	4.7
411.75806	0.9
457.18594	1.8
458.27332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01387	100.0
60.01736	0.6
61.98836	1.7
64.97984	0.5
70.25901	0.7
70.26233	1.0
71.01385	7.8
73.02958	7.4
74.02491	2.4
83.01411	1.8
85.02963	2.9
87.00902	0.9
89.02450	3.3
96.00944	1.2
97.73869	0.5
99.00952	0.6
101.02459	6.1
107.05042	0.7
109.04121	1.0
113.02445	5.1
119.03549	1.3
119.05077	1.8
127.05133	6.4
128.03581	1.6
131.03543	0.7
133.03021	1.7
134.03806	1.6
135.04541	30.8
136.04897	1.3
137.61380	0.5
139.97710	0.6
141.06738	0.8
143.04657	0.8
145.03023	1.0
145.06218	1.3
148.04108	0.6
155.10843	1.0
156.13963	1.3
157.06799	0.5
159.04587	0.6
161.02505	2.0
161.04608	1.8
161.06038	0.8
163.04076	2.4
177.01987	0.6
177.03459	1.7
178.06398	1.2
179.03551	5.4
183.04579	0.6
191.05696	0.7
193.08789	1.7
199.09816	0.7
233.93782	0.6
235.41875	0.6
251.17740	2.3
255.03043	0.8
265.07239	1.0
283.02518	1.0
285.04300	1.7
325.20346	1.0
331.39413	0.6
377.08951	0.6
393.21530	0.7
397.22620	0.7
439.28412	1.4
457.11581	6.2
457.16678	0.9
457.29263	15.9
457.35394	0.8
458.11752	0.9
458.28793	2.0
469.14526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82142	0.5
55.01880	1.5
57.85901	0.5
58.00592	2.0
59.01385	86.9
59.03389	0.5
60.93827	0.5
67.33679	0.5
67.66057	0.5
69.03461	8.4
69.21680	3.5
69.22952	0.6
71.01389	76.8
72.01744	0.7
72.99301	1.9
73.02950	11.1
75.00880	2.0
75.93925	0.6
79.01897	1.2
81.03456	6.0
83.01385	4.9
83.05033	0.7
85.02957	8.4
87.00883	1.8
87.04513	0.9
89.02454	100.0
90.02829	1.2
95.01388	1.5
95.94415	0.6
97.02965	13.4
98.21895	1.2
99.00270	1.1
99.00895	18.2
99.04517	2.7
101.02447	16.5
106.13861	0.6
107.01406	0.7
109.02956	0.6
111.00887	2.4
113.02455	8.9
115.04028	8.7
119.03477	1.9
125.02458	49.4
126.02763	1.0
127.04009	1.4
131.03514	10.5
135.04532	2.8
137.09680	0.8
143.03535	3.4
148.05318	56.0
149.04568	12.3
149.05656	1.7
155.03513	0.7
155.10753	3.7
161.02361	0.9
161.04500	1.5
163.06285	0.9
163.07664	17.0
164.07928	0.9
173.04494	1.8
175.06142	0.7
179.03506	3.0
191.05632	6.6
199.09726	3.8
231.80153	0.6
233.06677	36.6
234.06926	1.1
241.86490	0.6
276.15506	0.6
285.03809	0.7
293.08813	24.1
294.08987	0.8
325.20282	1.3
384.47470	0.6
457.16840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54752	1.8
55.01868	2.2
57.03444	5.6
59.01385	63.0
60.24668	1.9
61.43747	1.7
61.98833	4.3
67.42429	1.9
69.23083	4.5
69.23491	7.2
71.01018	3.8
71.01386	46.0
73.02969	12.5
83.01382	7.0
85.02962	17.2
87.04519	2.2
89.02466	37.1
90.90173	1.9
95.01398	2.5
99.00885	5.6
101.02461	35.0
101.27246	2.0
111.00896	6.7
112.03544	2.0
113.02461	15.9
115.03970	1.8
119.03541	2.9
121.02973	17.1
122.03295	6.0
125.02438	4.4
129.69104	1.9
131.03545	14.8
143.03517	3.8
148.04060	7.2
149.04558	20.7
161.04602	11.5
179.01537	1.9
229.24263	2.1
233.06589	3.5
252.93431	2.0
265.12930	28.3
293.08707	2.9
397.17175	100.0
398.17679	7.0
411.18463	2.1
457.15482	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88149	2.0
51.52936	2.3
56.68926	2.0
59.01387	100.0
61.98847	3.5
67.61057	2.1
71.01386	32.6
71.43133	2.2
72.79529	2.0
73.02966	8.1
74.02499	2.5
80.91693	35.0
83.01398	3.9
85.02947	11.2
87.00882	3.2
89.02459	18.0
93.03461	2.2
99.92608	10.1
101.02451	18.6
113.02443	14.7
118.35344	2.1
119.03547	3.8
128.03558	5.4
133.02995	3.3
134.03712	2.3
135.04547	63.1
153.03799	2.4
170.06767	2.2
179.03505	11.0
195.13911	21.4
217.12148	2.5
223.13228	17.6
235.13199	16.4
251.11497	2.8
253.12979	3.1
267.12213	5.9
277.14310	41.5
278.14740	3.2
279.12070	3.0
285.04181	3.5
289.14343	5.4
309.12131	7.4
325.20023	3.2
329.23309	4.6
331.14026	4.2
350.48325	2.1
362.30930	2.3
375.20313	43.1
376.20300	3.6
397.18274	76.5
398.18188	7.9
414.28537	2.9
439.18073	2.2
457.11411	14.4
457.26718	2.5
458.12436	6.7
458.27393	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	457.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32755	0.1
76.67818	0.1
79.91156	0.1
83.93088	0.2
84.93893	0.5
98.95459	0.1
99.92596	6.0
100.93374	38.5
101.93383	1.7
113.92617	0.1
115.92089	100.0
116.92097	4.0
116.92874	7.6
117.92612	0.3
126.94981	0.2
130.94501	0.2
132.92371	1.1
139.03409	0.1
141.75287	0.1
142.94469	0.5
154.94408	0.3
155.95229	0.4
172.95479	7.7
173.95572	0.5
270.45721	0.1
283.26492	1.1
284.26593	0.2
383.19055	0.7
384.19360	0.2
399.18622	0.4
409.20529	0.9
439.21667	0.3
457.22708	4.5
458.23071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01444	0.9
59.01385	100.0
61.98826	2.9
69.46202	3.4
70.86443	0.8
71.01392	9.8
73.02953	11.4
78.99134	0.9
83.01377	2.6
85.02938	1.8
89.02445	4.5
96.83247	0.9
99.04529	1.1
101.02448	9.9
109.46133	0.9
113.02464	6.9
118.17017	0.8
119.03507	1.9
121.54458	0.9
133.02972	1.7
135.04543	6.8
145.92693	0.9
153.74867	0.9
161.02423	2.7
161.04561	2.5
200.76190	0.9
259.18961	0.9
269.04556	1.9
285.03943	1.5
325.20160	2.5
375.14517	1.4
415.23120	1.0
453.61591	1.0
457.12152	1.1
458.11514	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59194	0.4
57.03454	0.6
59.01384	100.0
59.41227	0.4
60.01744	0.9
61.98856	0.9
62.70040	0.4
69.03461	0.4
70.40392	1.0
71.01385	12.0
72.99304	0.5
73.02958	7.4
74.02480	1.4
80.91666	0.5
83.01380	2.4
85.02953	4.2
87.00865	0.6
89.02454	4.5
95.01394	0.7
95.26101	0.5
99.00893	1.2
101.02450	7.9
113.02473	6.3
114.07933	0.4
114.44743	0.4
119.03535	1.0
125.02453	0.7
135.04556	1.8
143.03539	0.5
161.04564	2.4
173.54930	0.5
179.03606	0.7
194.23599	0.4
253.18230	0.8
255.74225	0.5
316.95804	0.4
361.11588	0.4
397.18085	0.7
397.22464	4.2
415.23398	2.5
424.82999	0.6
457.11441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32940	0.4
56.10024	0.4
57.03458	1.3
59.01384	100.0
60.01720	0.9
61.98816	0.5
63.90552	0.4
69.03488	0.6
71.01389	20.0
73.02953	22.7
74.93080	0.4
83.01394	4.0
85.02960	5.1
87.00896	0.7
89.02453	8.6
93.03497	0.6
95.01422	2.1
99.00901	0.9
101.02449	16.8
113.02467	15.1
117.03502	1.0
119.03544	2.5
119.05026	5.2
125.02505	1.3
127.05175	1.0
128.03532	1.0
131.03543	1.8
133.06642	1.5
135.04568	1.9
143.03539	1.8
145.02965	5.0
149.04578	0.9
161.04610	3.6
161.06123	2.5
163.04042	6.2
171.30847	0.4
177.05640	1.5
179.03481	0.6
181.93256	0.5
187.03998	0.6
191.05569	0.7
205.05090	3.4
217.00375	0.8
229.05185	0.5
235.06155	2.9
265.07181	6.7
325.09445	0.5
397.22421	1.3
415.23611	0.9
457.29367	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	457.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	4.3
59.01382	6.5
61.49047	0.4
61.98860	0.3
69.19799	1.9
70.02975	0.7
71.01385	3.9
71.02492	0.4
73.02943	1.3
73.04071	9.6
74.02470	1.2
82.06621	0.4
83.01392	0.5
84.04548	0.6
84.08188	0.4
85.02970	0.8
87.00880	0.8
87.05647	1.5
87.26320	0.3
88.04046	0.6
89.02446	3.7
95.01409	0.5
97.02961	0.7
97.04085	2.5
98.02481	4.9
99.00883	0.9
101.02433	2.0
109.02934	0.6
109.72319	0.4
111.05653	0.4
112.98925	0.5
113.02462	2.2
115.05141	22.1
116.03503	0.5
121.06602	1.2
125.02479	1.3
127.05244	0.5
129.10350	6.0
130.08751	61.6
131.03458	0.6
131.09094	1.6
134.03743	0.5
135.04553	3.7
137.09734	1.5
139.08788	1.1
140.10811	2.4
141.10378	0.8
143.03471	0.6
143.11922	2.0
148.05302	1.7
149.04559	0.8
151.08820	1.6
152.01184	0.5
152.07208	0.9
153.05449	0.4
153.10345	0.9
155.09523	0.6
155.10786	6.1
155.11943	1.8
157.13472	27.4
158.13800	0.5
161.02351	1.2
161.04657	0.7
163.07613	0.9
166.08759	2.1
168.11444	3.1
169.09853	1.3
169.12263	0.4
174.03256	1.0
175.04042	1.1
179.03528	1.8
179.12012	1.0
181.08656	0.6
183.11411	3.6
185.13086	0.6
186.12527	1.8
187.04031	0.5
191.05635	0.5
196.14600	0.6
199.03922	0.5
199.09790	6.0
199.18144	0.7
200.14027	0.4
201.12469	9.4
207.04810	0.5
207.13937	0.5
210.12502	4.2
211.10867	0.4
212.14166	0.4
214.15692	0.5
228.13599	1.8
230.05878	0.6
231.06613	0.5
233.06691	1.3
238.15631	2.3
241.10806	1.3
256.20313	0.5
270.21887	20.4
271.22250	1.5
282.14636	0.8
289.18106	1.1
291.05011	2.1
292.20364	0.4
293.08911	0.9
314.20853	1.5
325.20203	2.8
327.24033	7.4
369.25061	1.2
413.24075	100.0
414.24390	9.1
416.86456	0.4
439.25742	1.2
457.11481	1.7
457.26657	12.2
458.11124	1.3
458.27124	1.9
459.76578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.369
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
53.48021	0.3
61.98823	0.5
71.45057	0.4
114.45699	0.3
210.61719	0.3
220.07391	0.3
227.77528	0.3
408.41013	0.4
419.74362	0.4
435.65887	0.4
457.36932	100.0
458.37299	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	458.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27163	0.8
57.50504	0.8
59.01379	4.3
61.98833	6.4
63.34204	0.8
65.62737	0.9
69.03458	2.0
69.88136	1.4
69.88466	2.2
71.01386	2.2
71.05022	2.2
72.01717	0.9
74.02489	2.3
89.02461	2.1
97.02985	1.6
100.00393	1.2
101.02431	1.7
113.02448	3.3
115.04030	8.4
116.04285	1.0
121.02962	3.3
122.03316	1.0
124.96700	1.2
125.03596	1.1
128.03552	4.0
129.00182	3.1
131.03679	1.1
141.80655	0.9
147.01253	2.2
148.04045	1.9
157.97751	13.8
158.98051	1.5
170.99797	1.5
183.01819	1.4
183.99294	42.7
184.95956	3.3
192.99295	12.1
197.01273	1.3
197.03172	3.4
198.03197	1.8
199.02782	1.1
199.97040	9.4
202.96994	5.4
208.98836	13.6
213.00673	1.3
225.01956	3.7
235.01266	1.7
236.02448	2.3
237.02321	3.4
238.99809	1.0
239.03464	1.7
241.01488	33.5
242.01802	1.2
246.02107	1.5
252.03030	1.4
255.05486	1.2
259.02371	1.1
264.03018	1.3
266.04572	8.3
266.99344	7.5
283.01166	1.1
284.05682	3.8
292.02716	12.7
295.98962	1.8
298.01572	1.9
310.03632	59.4
311.03955	3.0
327.03348	1.3
342.00760	6.5
344.02454	3.0
355.34839	1.1
383.02341	9.5
396.05933	0.9
398.04474	1.2
440.04675	5.7
458.05637	100.0
459.06064	9.0
476.06577	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	458.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.7
59.01382	5.7
61.98827	1.7
62.52636	0.6
62.79724	0.6
62.83823	0.5
66.72014	0.5
69.24730	3.2
71.01385	2.2
72.99320	0.6
77.03969	2.2
87.00875	3.2
89.02463	0.7
89.03977	0.7
95.05042	4.9
96.00939	0.6
101.02484	0.6
105.03471	15.7
107.05032	0.6
109.02962	0.7
112.27467	0.5
112.98814	1.0
117.03484	0.7
120.04562	1.6
121.02977	1.8
123.04544	2.0
130.08731	2.0
132.02203	1.2
133.02971	100.0
134.03476	3.3
134.03650	3.5
134.06168	0.7
135.04529	11.6
136.04834	0.8
137.02434	1.3
146.02531	1.3
147.03276	1.6
147.04428	0.6
148.04048	13.9
149.00912	0.8
149.02449	0.6
149.04410	1.0
151.00316	0.5
151.04015	1.5
157.03087	0.5
159.04550	0.9
160.04094	1.1
161.02472	9.8
177.01950	45.8
178.02411	3.1
178.05096	0.7
179.03477	8.1
186.12462	0.8
193.06482	0.6
195.08127	0.9
203.03459	0.6
209.06195	0.9
211.07683	1.0
222.04930	1.0
222.81937	0.6
237.05563	2.0
239.07164	1.3
281.04697	0.7
282.07813	2.0
283.02771	0.6
283.05902	0.8
284.03247	1.7
285.04053	6.4
309.04111	2.0
326.06717	43.3
327.06995	3.2
377.08600	1.2
414.24127	0.6
426.08307	0.5
428.24802	0.7
440.25610	0.6
458.11917	4.7
458.26483	2.4
458.61667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.5
61.98837	25.2
63.02419	0.8
67.94540	0.7
68.99806	0.7
69.29042	1.8
69.29450	2.2
71.01392	7.4
72.39172	0.6
72.99314	2.0
73.02951	2.3
74.02479	1.7
74.03304	0.7
74.23814	0.7
75.00869	4.2
76.31414	0.7
77.03975	1.7
83.01378	1.1
84.99324	0.8
85.02955	3.3
87.00882	10.6
89.02457	5.6
89.03992	0.8
92.30453	0.6
93.03461	1.2
95.01398	0.7
95.05020	3.9
98.21852	1.5
99.00895	2.3
101.02446	4.2
103.00387	4.0
105.03473	13.3
109.02994	1.9
110.51855	0.7
112.98830	15.2
113.02482	2.1
117.03488	1.6
119.03537	0.8
119.05058	1.2
121.02979	2.2
123.04520	3.0
130.99857	2.6
131.03513	1.0
132.02243	0.8
132.04590	2.5
133.02975	100.0
134.03627	3.1
134.06163	1.2
135.04547	14.0
137.02440	1.0
145.05135	1.1
146.02516	3.8
147.03264	1.7
147.04543	0.9
148.04039	13.3
149.00896	1.7
149.04410	3.3
153.05640	1.7
159.04572	1.5
160.04118	0.9
161.02492	1.3
161.04596	1.1
163.04031	1.2
167.08673	2.7
177.01952	78.0
178.02470	4.6
179.03510	15.4
191.05472	0.9
193.06598	2.9
195.04616	0.7
195.08281	1.6
204.25153	0.7
209.06126	2.7
211.07635	6.0
220.05542	0.7
221.06099	3.9
223.04053	1.5
224.04793	1.0
237.05553	11.7
237.07750	1.2
239.07065	4.6
255.02968	0.8
255.07053	0.9
258.70303	0.7
265.05038	2.7
268.03757	1.0
269.04559	14.5
270.04865	9.9
271.05219	1.0
281.04620	1.5
282.07794	1.1
283.06204	4.4
284.03680	0.9
285.04050	1.4
293.08881	0.9
309.04257	1.0
326.06744	18.3
326.19498	0.9
327.06940	1.1
332.08774	0.7
376.58844	1.1
377.09119	1.1
415.16177	1.2
457.61893	15.0
458.12186	6.0
458.26263	2.0
458.62045	0.8
459.18420	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	458.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10924	2.4
56.67560	2.7
59.01387	82.0
59.71668	2.2
59.83639	2.0
61.98833	14.7
62.78047	2.5
69.03478	2.6
69.21796	10.1
69.22205	5.1
70.17323	2.2
71.01391	54.0
72.09871	2.4
72.35943	2.2
72.97121	2.1
72.99302	2.2
73.02946	12.9
74.02489	7.3
74.17237	2.3
83.01392	5.4
85.02974	9.1
87.00898	9.2
89.02451	90.0
89.34679	2.1
95.05074	3.9
101.02448	44.4
105.03477	9.3
105.84651	2.4
109.02992	4.0
113.02475	12.3
114.05516	2.1
119.03496	7.5
121.03034	3.3
123.04592	3.2
123.28648	2.3
125.02489	5.6
131.03511	34.3
132.33479	2.4
133.02963	57.2
133.03893	4.4
134.03473	2.8
135.04559	12.0
139.38640	2.2
145.02995	2.3
148.04062	7.2
149.00945	5.9
149.04568	100.0
151.04001	4.5
153.01959	4.0
161.02493	11.3
163.04118	2.6
165.09229	3.3
177.01962	28.0
179.03542	6.4
179.99078	2.5
184.00708	2.4
191.05652	19.4
209.03473	3.0
220.13467	2.6
237.05470	3.1
283.02225	2.5
283.11923	3.5
284.03210	2.6
285.04129	4.6
293.08810	3.5
307.10345	3.9
326.06754	27.8
326.16055	12.8
376.08069	3.9
376.58221	12.8
377.08429	5.9
377.58896	2.6
415.16068	26.2
458.17651	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	458.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05733	1.4
53.00375	1.3
60.00909	79.4
63.35864	1.3
69.20629	1.4
101.85217	1.5
158.76959	1.5
161.09639	1.7
163.11299	3.6
187.11205	2.8
187.40598	1.6
199.19360	1.5
239.77005	1.7
277.21771	2.9
309.22034	1.7
337.21765	100.0
338.22070	10.9
401.08319	1.6
451.06107	1.6
458.23721	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	458.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91823	2.1
57.03433	2.8
59.01385	100.0
60.01720	8.5
60.12676	2.3
61.98817	2.9
63.15199	2.7
68.55833	2.3
69.03462	4.7
69.14782	17.5
71.01024	4.5
71.01392	64.6
72.01723	9.5
72.99312	2.4
73.02947	14.2
74.02490	5.2
81.03449	3.8
83.01392	5.7
85.02959	10.6
85.53323	2.6
87.00853	4.4
89.02455	75.1
90.02786	9.4
95.01456	2.9
97.02966	11.6
99.00919	14.3
100.01218	3.7
101.02454	16.9
108.69400	2.5
113.02457	10.3
115.04041	6.6
119.03532	2.5
125.02473	29.6
126.02802	9.6
131.03477	7.0
137.09729	3.0
143.03619	2.6
148.05334	29.6
149.04558	8.9
149.05673	19.2
155.10828	7.5
156.11055	6.5
161.02490	7.0
163.07674	8.3
164.07968	4.9
168.06050	3.0
191.05710	4.1
195.39441	2.5
199.09775	7.7
200.10211	4.3
233.06735	18.3
234.06995	12.6
245.13248	2.4
265.18124	3.8
283.19040	4.3
284.03171	3.1
285.04068	5.9
293.08868	10.4
294.09064	10.3
327.21796	38.4
399.41269	2.9
421.88110	3.7
458.27457	3.3
459.22842	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	458.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91823	2.1
57.03433	2.8
59.01385	100.0
60.01720	8.5
60.12676	2.3
61.98817	2.9
63.15199	2.7
68.55833	2.3
69.03462	4.7
69.14782	17.5
71.01024	4.5
71.01392	64.6
72.01723	9.5
72.99312	2.4
73.02947	14.2
74.02490	5.2
81.03449	3.8
83.01392	5.7
85.02959	10.6
85.53323	2.6
87.00853	4.4
89.02455	75.1
90.02786	9.4
95.01456	2.9
97.02966	11.6
99.00919	14.3
100.01218	3.7
101.02454	16.9
108.69400	2.5
113.02457	10.3
115.04041	6.6
119.03532	2.5
125.02473	29.6
126.02802	9.6
131.03477	7.0
137.09729	3.0
143.03619	2.6
148.05334	29.6
149.04558	8.9
149.05673	19.2
155.10828	7.5
156.11055	6.5
161.02490	7.0
163.07674	8.3
164.07968	4.9
168.06050	3.0
191.05710	4.1
195.39441	2.5
199.09775	7.7
200.10211	4.3
233.06735	18.3
234.06995	12.6
245.13248	2.4
265.18124	3.8
283.19040	4.3
284.03171	3.1
285.04068	5.9
293.08868	10.4
294.09064	10.3
327.21796	38.4
399.41269	2.9
421.88110	3.7
458.27457	3.3
459.22842	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	458.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01382	8.3
61.98825	1.6
71.01389	3.0
71.05029	0.5
71.07106	0.9
72.00921	1.2
73.02978	2.7
74.02480	100.0
75.02816	0.7
75.40161	0.5
85.02963	1.0
87.00874	1.0
89.02481	1.1
101.02441	2.0
103.90044	0.5
104.03572	0.7
108.08229	0.9
113.02428	0.7
114.40690	0.5
118.05119	7.1
123.08270	0.5
126.09264	1.0
128.03566	0.9
133.02977	0.7
135.04546	1.6
137.92361	0.5
143.10840	1.6
152.10837	1.0
152.37323	0.5
160.52748	0.5
161.02446	0.9
161.04564	1.2
179.03453	0.8
183.10210	0.6
191.05579	0.5
199.14467	0.6
211.54723	0.5
284.03265	0.6
285.03922	0.7
293.58734	0.6
327.18610	0.6
327.21805	3.4
377.09039	0.6
414.28662	28.8
415.29108	2.9
417.25104	4.0
423.22528	0.7
436.73761	0.6
458.31500	38.5
459.22372	0.9
459.31815	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	458.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.8
59.01369	1.5
65.14349	1.1
65.44706	1.0
69.03411	1.0
69.44790	4.1
72.00887	1.8
73.02496	0.9
74.02480	100.0
85.04455	0.9
85.06596	1.1
93.75523	1.1
97.06612	1.0
98.21893	1.1
99.08153	2.4
118.05111	8.0
123.08117	1.9
126.05609	4.5
130.08713	1.3
143.10780	12.2
156.04335	1.1
156.06721	2.7
161.02414	1.0
240.19551	1.0
288.33023	1.3
334.49588	1.0
339.25394	17.5
340.25638	1.2
387.12561	1.8
414.28641	40.9
415.28952	2.5
458.31259	56.7
459.13577	2.2
459.31577	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57721	0.9
59.01384	86.1
64.66067	1.0
78.95916	2.6
79.36556	0.9
81.16647	1.1
95.53302	1.2
96.96022	1.4
115.02518	8.2
117.00465	8.9
125.94479	1.3
132.98230	1.8
134.49030	1.0
134.96072	1.5
136.94009	2.0
138.93762	1.8
143.78853	1.3
156.99963	1.7
157.03537	1.3
159.01514	90.2
160.01707	5.3
174.99272	19.0
175.00674	1.6
178.95100	3.4
201.02568	19.2
202.02844	2.1
217.00317	41.5
218.00703	1.3
258.87592	1.7
259.01578	1.6
272.85376	18.2
273.85617	3.1
274.85159	29.1
274.99445	6.2
276.88501	4.7
287.84198	1.9
288.88644	1.6
289.84045	3.6
290.86224	7.8
291.86917	3.0
292.86264	13.1
298.99249	1.8
301.02692	56.8
302.02814	5.7
314.86469	19.5
314.89676	2.0
315.86615	4.3
316.86197	30.9
317.00436	100.0
317.86407	1.3
318.00623	8.0
318.89456	2.7
332.87589	2.7
334.87350	6.0
350.85532	1.2
374.85364	2.4
378.81107	1.7
414.89001	1.2
416.86563	2.3
417.00290	1.6
458.87570	39.8
459.01639	1.8
459.87552	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	459.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	10.2
61.56182	1.8
65.00319	2.3
66.05018	2.1
68.30685	2.4
68.99819	4.2
71.01392	3.2
72.80298	1.8
83.01403	5.7
89.02422	2.2
101.02457	3.0
107.01440	2.1
108.02175	7.2
109.02938	6.1
113.02480	2.0
125.02441	8.9
133.02913	2.1
135.04570	12.2
146.08292	2.0
151.00417	11.2
151.04091	2.8
152.01173	5.3
153.01947	100.0
154.02347	3.0
161.02455	10.3
163.02525	3.3
165.87157	2.8
167.82399	1.8
179.03534	7.8
303.66623	2.5
357.08420	3.7
458.80658	2.2
459.14990	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	459.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26815	2.3
50.53525	2.0
56.19777	2.2
57.03446	2.8
59.01384	18.8
61.98824	7.0
71.01363	8.5
72.99307	3.3
85.02950	4.4
89.02450	5.4
89.03976	2.2
99.00874	2.6
101.02431	5.9
104.02663	9.3
113.02460	3.3
115.81834	2.2
119.03555	3.2
121.02950	4.8
123.75399	2.8
132.04561	3.8
133.02974	11.9
134.03732	3.4
135.04506	9.5
137.02440	2.6
148.01674	10.2
149.02415	3.2
152.07217	2.5
161.02548	10.5
162.02913	2.4
163.04034	2.5
163.07635	6.8
164.04639	2.9
165.09262	4.8
176.01157	94.5
177.01945	100.0
177.03519	5.2
178.02287	4.4
179.03398	4.5
193.05104	3.7
237.07732	4.0
255.02937	2.4
261.07712	30.4
269.04480	4.3
279.11551	3.1
287.64505	2.6
327.14642	2.3
339.07245	54.7
340.07733	2.9
377.58685	3.5
399.12857	4.7
459.10190	4.5
459.18250	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	459.1147
Annotation	7-O-6'-O-Malonylcachinesidic acid
Peak:m/z	Relative Intensity
52.79913	0.6
57.03464	4.0
59.01385	11.7
59.42980	0.7
61.98832	1.0
69.03446	0.9
71.01395	7.8
71.41992	1.1
71.42373	0.9
72.99312	7.1
73.02961	2.6
80.32978	0.8
81.03471	3.1
83.01424	0.9
85.02957	14.4
87.00883	13.7
89.02459	2.4
95.01403	2.1
99.00889	1.1
101.02448	5.3
107.01430	0.9
108.02182	93.5
109.02965	100.0
110.03333	1.7
111.00893	11.7
113.02463	3.2
119.03517	0.8
119.05027	0.9
121.02978	2.8
123.00907	1.4
123.04595	1.6
125.02424	1.7
129.01921	2.0
132.04565	1.1
133.02946	1.6
134.03755	2.3
135.00876	4.1
135.04555	5.0
145.04965	0.7
149.02394	1.0
151.03973	1.5
152.01167	90.6
153.01955	47.4
154.02281	1.2
161.02505	3.7
161.04509	1.9
163.04013	2.3
165.01880	1.9
166.02620	1.1
167.03503	12.2
170.94461	0.8
179.03477	3.6
193.05028	1.3
195.06709	0.8
207.02936	0.8
208.36861	0.8
219.10229	0.8
237.07768	1.2
237.11244	1.2
297.06097	1.9
301.51840	0.8
315.07266	10.7
329.08557	3.2
340.79868	0.8
357.08276	26.1
358.08499	1.7
377.18134	1.1
399.16205	1.1
434.07550	0.8
441.10397	7.9
459.11365	88.4
460.11966	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	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01385	8.8
61.52300	0.4
66.82065	0.4
69.64117	1.5
69.64440	0.4
71.01070	0.4
71.01388	4.7
73.02936	1.6
81.05055	0.4
83.01412	0.6
85.02972	2.5
87.00865	0.7
89.02454	3.8
91.05514	0.7
93.03465	0.4
99.48281	0.4
101.02443	3.3
103.00497	0.4
106.04241	0.5
107.05038	2.4
108.02177	11.3
109.02964	6.8
112.04039	0.4
112.06894	0.4
113.02457	1.7
117.03458	1.2
119.03499	1.3
121.02902	0.6
123.04452	0.6
132.02164	0.8
133.01942	0.5
133.02963	19.0
134.03766	7.6
135.04535	100.0
136.04852	3.7
137.02408	0.7
151.04022	1.4
152.01164	10.7
153.01920	2.5
161.02451	58.7
162.02759	2.1
163.03983	0.7
165.01965	0.5
175.03973	0.7
179.03502	69.5
180.03908	3.0
238.09251	0.5
279.08734	1.4
293.08923	1.2
297.12125	0.9
311.00620	0.4
315.07248	4.9
341.78909	0.5
357.08304	6.9
397.11523	1.9
459.15302	63.9
460.15683	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	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17705	0.5
57.03457	1.3
59.01388	16.8
61.98836	1.1
69.03462	0.6
70.05549	0.6
70.05876	0.9
71.01390	9.1
73.02952	1.8
83.01371	0.8
84.75587	0.6
85.02946	2.8
85.75995	0.6
87.00893	1.4
89.02454	7.5
89.02954	0.7
89.03963	0.8
91.05580	1.0
93.03485	0.9
96.44080	0.6
101.02449	4.9
105.03496	1.0
107.05038	2.0
108.02183	6.7
109.02975	4.8
112.04072	0.8
113.02455	4.0
117.03475	1.0
119.03535	3.2
119.05044	0.7
123.04542	1.6
131.03535	0.8
132.02168	0.8
133.02975	18.8
134.03796	7.8
135.04543	100.0
136.04900	4.0
137.02487	0.7
151.04027	27.9
152.01184	4.0
152.04382	1.0
153.01964	3.1
153.05563	1.3
161.02466	57.1
162.02782	2.9
163.03983	0.9
165.04041	0.6
166.05154	1.6
179.03522	64.9
180.03893	2.5
184.06192	1.9
191.05626	0.6
201.26154	0.6
203.03577	0.8
237.07527	0.8
279.08707	1.4
293.08810	1.9
315.07303	2.2
320.26266	0.6
357.08344	3.0
397.11545	0.8
459.15210	61.2
460.15463	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	8.4
59.01392	1.4
61.98829	0.9
69.64211	1.1
71.01395	0.6
74.02464	0.3
83.02483	0.3
85.02982	0.5
88.72448	0.3
89.02454	0.5
95.05030	0.5
98.22606	0.3
99.04552	0.6
101.02439	1.6
105.03474	0.3
108.00346	0.3
108.02148	0.5
109.02932	0.6
115.82819	0.3
121.02962	0.8
122.03781	0.5
123.04536	57.2
124.04830	1.6
125.02442	0.5
128.03537	1.3
129.10335	0.3
130.08762	1.0
132.04517	0.6
133.02957	0.5
134.03743	0.4
135.04547	2.2
137.83739	0.3
145.06264	0.3
148.04059	0.3
149.02458	0.3
151.04028	1.7
151.84146	0.3
152.01141	0.3
153.05588	100.0
154.05934	3.8
161.02493	0.3
164.08385	0.3
165.05624	2.0
179.03554	0.4
186.12465	0.4
187.10840	0.4
193.05034	0.4
197.04401	0.4
197.12924	0.4
241.12108	0.5
262.80341	0.3
267.02988	0.4
297.09818	1.1
315.10880	17.2
316.11096	0.9
331.51999	0.3
348.77658	0.3
357.07837	0.3
357.11984	4.0
358.12329	0.4
397.15137	0.6
459.14914	1.2
459.24692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	8.4
59.01392	1.4
61.98829	0.9
69.64211	1.1
71.01395	0.6
74.02464	0.3
83.02483	0.3
85.02982	0.5
88.72448	0.3
89.02454	0.5
95.05030	0.5
98.22606	0.3
99.04552	0.6
101.02439	1.6
105.03474	0.3
108.00346	0.3
108.02148	0.5
109.02932	0.6
115.82819	0.3
121.02962	0.8
122.03781	0.5
123.04536	57.2
124.04830	1.6
125.02442	0.5
128.03537	1.3
129.10335	0.3
130.08762	1.0
132.04517	0.6
133.02957	0.5
134.03743	0.4
135.04547	2.2
137.83739	0.3
145.06264	0.3
148.04059	0.3
149.02458	0.3
151.04028	1.7
151.84146	0.3
152.01141	0.3
153.05588	100.0
154.05934	3.8
161.02493	0.3
164.08385	0.3
165.05624	2.0
179.03554	0.4
186.12465	0.4
187.10840	0.4
193.05034	0.4
197.04401	0.4
197.12924	0.4
241.12108	0.5
262.80341	0.3
267.02988	0.4
297.09818	1.1
315.10880	17.2
316.11096	0.9
331.51999	0.3
348.77658	0.3
357.07837	0.3
357.11984	4.0
358.12329	0.4
397.15137	0.6
459.14914	1.2
459.24692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21695	1.2
55.01880	2.6
57.03449	6.1
58.00588	1.4
59.01091	2.6
59.01382	50.7
61.98832	1.1
69.03450	16.0
69.11980	6.7
71.01388	47.9
72.99287	2.4
73.02939	8.1
81.03448	4.2
82.17023	0.9
83.01388	6.4
83.05040	5.6
85.02958	29.2
87.00880	5.6
87.04507	3.2
89.02447	17.4
93.03439	2.2
94.32328	1.0
94.41093	1.2
95.01395	6.5
95.05008	4.5
97.02934	2.8
98.14120	0.9
99.00883	3.1
99.04554	1.0
101.02443	19.0
107.05034	3.9
109.02960	10.3
111.04523	6.7
113.02453	49.5
113.06042	1.2
114.02795	1.5
115.03963	2.7
118.26874	1.1
119.03499	8.8
121.02982	1.4
121.10255	10.2
123.04521	7.5
125.02468	1.8
125.06087	1.9
130.02751	1.5
131.03511	12.4
133.02948	3.4
133.05070	2.6
135.00865	3.9
135.04507	4.9
137.02470	1.5
137.06059	1.7
139.04012	1.6
139.07693	1.6
141.05589	1.5
151.03951	1.3
153.01952	21.3
153.05508	1.2
161.02470	7.9
161.04507	1.2
162.02783	2.7
177.01906	3.9
179.03500	1.2
179.05528	1.4
179.10771	1.4
183.10277	20.1
187.06136	1.2
197.11806	1.4
207.10205	1.4
225.11301	3.7
227.03462	1.4
255.02931	1.3
256.03442	1.4
269.04480	3.0
275.07751	100.0
276.07996	4.4
284.03284	1.9
285.03897	2.9
287.44589	1.2
293.08795	54.7
294.09348	2.3
327.21677	2.5
330.41855	1.1
364.91547	1.5
377.59030	1.1
381.85309	1.3
458.61664	3.5
459.11938	2.8
459.18661	54.2
460.19421	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	459.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
57.03444	4.4
59.01385	46.6
60.01679	1.0
61.98837	2.0
66.92699	1.1
67.01868	1.3
69.03458	17.6
69.12386	6.8
71.01387	43.1
72.99302	1.7
73.02962	8.0
74.16908	1.2
75.00872	1.9
81.03461	3.6
83.01414	6.3
83.05023	5.0
85.02956	28.2
87.00895	6.6
87.04518	4.5
89.02452	19.4
93.03468	1.6
95.01400	5.6
95.05020	2.9
97.02939	1.9
99.00890	2.7
101.02455	20.1
107.05048	3.9
109.02975	7.8
111.00842	1.4
111.04529	7.6
113.02463	48.4
113.06082	1.8
114.23000	1.2
119.03496	7.6
121.10275	6.0
123.04565	7.0
125.06085	3.0
126.72326	1.3
130.02730	1.8
131.03525	12.4
132.49249	1.2
133.02937	3.7
135.00887	2.6
135.04536	3.2
137.06120	2.6
139.04059	1.8
139.07674	1.5
143.03529	2.0
153.01964	22.3
153.05505	1.5
154.02228	1.8
161.02507	6.6
162.02800	1.8
164.88846	1.2
177.01924	3.7
179.10738	1.6
183.10283	23.3
197.11908	1.5
225.11298	5.3
228.03888	1.6
237.11325	1.8
255.02910	1.9
256.03455	1.5
269.04529	2.5
275.07751	100.0
276.08011	4.8
283.19449	1.3
285.03976	3.5
293.08829	52.0
294.09070	2.0
327.21643	2.3
411.60220	1.2
458.61697	5.5
459.18689	55.1
460.19119	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	459.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	7.5
58.00602	3.4
59.01387	47.2
61.98827	2.3
69.03466	25.4
71.01388	27.8
71.01746	1.0
71.05007	1.8
72.99307	4.2
73.02934	4.0
74.02464	2.8
74.99662	1.5
83.01391	3.8
83.05051	2.3
85.02937	8.6
87.00892	16.8
87.04514	4.1
89.02460	17.3
93.07110	3.5
95.01389	2.3
95.05035	1.4
99.00919	1.6
101.02455	16.0
107.04993	1.4
109.02939	2.6
109.06599	2.4
111.04469	1.8
111.08181	3.1
112.45005	1.5
113.01718	2.6
113.02465	32.6
119.03521	7.4
123.08190	2.1
125.02462	27.7
125.06074	2.2
127.07682	15.1
131.03499	11.0
133.05060	4.3
135.04509	4.6
137.02464	2.5
137.06087	10.2
139.04004	1.9
139.11310	9.3
155.07118	8.6
161.02477	2.5
161.04689	1.9
165.09233	2.9
167.03542	1.5
177.01945	3.9
177.75774	1.6
179.03621	1.5
179.10757	1.9
183.10286	26.4
197.11862	8.6
225.11372	24.0
225.14905	2.7
226.11713	1.6
236.79018	1.4
265.18195	2.2
268.03757	2.0
269.04312	2.5
269.06857	1.7
275.07721	18.7
283.19156	3.7
287.07736	1.9
293.08832	61.0
294.09088	3.4
327.21796	20.0
329.08752	2.7
391.53766	1.5
430.27667	2.7
459.18729	100.0
460.19159	11.2
460.29309	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	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48678	0.3
54.34081	0.3
57.03445	0.3
59.01380	6.9
61.98800	0.4
71.01384	3.0
72.25175	0.3
73.02950	1.0
74.02477	0.4
74.61988	0.3
83.05042	0.5
85.02953	1.2
87.00875	0.8
89.02445	4.1
89.62746	0.3
95.01397	0.6
99.64010	0.3
101.02444	1.9
105.01904	0.5
109.02947	0.6
113.02486	1.3
119.03499	1.3
119.08647	0.8
121.10236	22.2
122.10572	0.6
125.02479	0.4
133.02936	0.4
134.03737	0.4
135.04532	0.7
143.03493	0.3
153.09253	0.3
161.02425	0.9
161.04587	0.6
165.09196	2.2
177.01894	0.5
179.03477	0.5
179.05550	0.7
179.10796	0.4
183.10262	100.0
184.10588	4.9
191.03508	1.9
201.11241	0.5
225.86549	0.3
253.09248	0.4
269.04617	0.4
279.15903	0.3
297.07544	0.9
327.21851	2.2
409.49518	0.3
454.78305	0.4
459.27612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
57.03442	7.4
59.01385	51.3
69.03462	20.9
69.22132	6.0
71.01389	49.0
71.01793	1.6
71.05034	2.1
72.99310	1.4
73.02960	9.8
75.00916	1.0
81.03461	4.0
82.78713	1.0
83.01392	6.0
83.05043	6.7
85.02960	30.0
86.03247	1.7
87.00889	6.9
87.04527	4.3
89.02457	16.3
93.03487	2.1
95.01395	5.6
95.05046	3.9
97.02958	2.2
97.06583	1.3
99.00887	5.5
99.04542	1.1
101.02454	19.3
107.05058	2.8
109.02959	3.8
111.04519	7.4
111.08177	1.5
113.02464	57.3
113.06105	2.5
114.02753	1.1
115.04028	2.3
115.92057	1.7
119.03505	6.8
119.33721	1.0
119.56358	0.9
121.02990	1.2
123.04538	7.2
125.02468	2.3
125.06073	3.1
127.07633	2.0
129.05609	1.1
130.02711	2.2
131.03511	14.9
133.05090	3.1
134.71925	1.0
135.04526	1.6
136.99117	1.7
137.02423	1.4
137.06087	2.0
139.03989	1.6
139.11285	6.5
141.05630	1.4
153.05592	2.6
161.02480	1.9
161.04567	1.6
169.05103	2.1
177.01981	1.4
183.10262	11.9
225.11363	3.3
262.45413	1.1
267.11694	1.1
269.04645	1.7
275.07755	100.0
276.08014	4.7
283.34955	1.0
293.08820	62.2
294.09189	3.7
331.33914	1.1
459.18771	55.9
460.19177	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	459.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	6.4
59.01386	10.5
69.03460	13.3
69.19145	1.6
71.01389	5.5
71.05019	2.7
74.02477	0.4
79.27426	0.3
83.01377	0.4
85.02951	0.9
87.00904	0.7
89.02453	9.2
89.36260	0.3
98.22623	0.6
101.02460	2.4
111.08163	2.0
113.02457	2.6
113.06086	0.6
119.03529	3.6
123.08172	0.6
139.11302	30.2
140.11641	1.0
143.03491	0.5
143.48241	0.3
161.04559	0.9
161.46251	0.4
172.64728	0.3
179.05664	2.7
183.10272	100.0
184.10620	4.0
278.67938	0.3
327.21750	0.7
341.10291	0.4
353.10483	0.4
416.24051	0.3
459.28531	0.3
460.29095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11239	5.4
50.55610	6.2
53.24912	5.8
57.35603	5.9
59.01390	100.0
59.23699	5.7
61.98833	17.6
71.01389	25.4
73.02924	14.8
73.27296	6.0
74.02480	22.5
83.01414	6.8
85.02982	10.9
87.00885	10.5
89.02470	9.7
91.84305	6.7
97.02966	6.2
101.02444	22.6
105.93287	6.6
113.02467	12.5
133.02930	16.4
135.04553	42.0
136.04921	8.7
153.61108	6.9
161.02429	31.8
179.03505	23.3
201.11450	9.2
237.15034	8.8
291.18347	6.6
327.21814	98.4
328.22272	8.1
396.39526	6.4
423.22525	35.5
459.10355	9.3
459.20883	28.4
459.27988	32.0
460.28723	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	459.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67112	0.9
55.01877	4.3
57.03453	4.5
59.01385	62.0
61.98832	3.7
68.03848	0.9
68.57766	0.9
69.03465	2.3
69.86008	2.4
71.01387	55.7
72.99342	1.2
73.02955	28.7
74.02479	2.3
75.00872	1.8
81.03471	0.9
83.01395	8.0
85.02961	24.8
86.28214	0.8
87.00881	2.7
89.02458	12.6
95.01405	3.6
97.02957	3.2
99.00887	10.7
101.02457	40.2
102.02840	0.9
111.00894	0.9
113.02465	25.2
115.04034	1.5
119.03537	1.7
125.02451	3.7
131.03526	3.8
135.04494	1.0
143.03513	3.3
149.04581	2.2
159.03030	5.1
161.02489	1.2
161.04555	22.0
165.12889	2.1
191.05669	1.1
209.52530	0.9
228.98001	0.9
233.06691	4.1
249.25175	0.9
268.03958	1.4
293.08826	1.9
297.56601	0.9
327.18170	30.3
327.21686	2.5
328.18518	2.7
332.14569	1.3
399.23965	1.1
417.25024	2.7
423.22409	4.0
459.22406	100.0
460.22818	12.0
460.28897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95677	0.4
53.54952	0.6
57.03462	0.7
58.29531	0.5
59.01387	13.2
61.98832	3.9
68.76661	0.4
69.03461	0.7
69.62276	1.0
69.62627	1.1
71.01406	2.2
71.05054	0.4
72.99304	1.7
73.02962	1.0
74.02472	1.1
84.99312	0.6
85.02968	0.7
87.00883	6.8
89.02465	1.5
96.26376	0.5
100.93343	0.5
101.02467	0.8
103.00388	2.8
109.02973	0.6
111.08150	0.7
112.98830	5.8
113.02468	0.8
125.02476	4.2
125.22822	0.5
127.11258	0.4
130.99875	0.9
133.02983	1.7
135.04536	2.5
139.07678	1.6
139.11288	0.6
149.00935	1.2
151.11334	1.1
153.09254	1.0
161.02460	2.2
169.89468	0.5
175.02513	1.0
177.01906	1.2
179.03513	1.4
181.15927	0.6
183.10338	0.8
185.11836	1.0
197.15500	1.8
221.19197	1.2
223.16992	0.6
225.11488	0.9
225.14973	11.2
226.15233	0.7
227.03566	1.1
233.15480	1.3
235.16966	1.0
237.18646	1.9
247.17085	1.3
251.16464	3.0
255.03059	1.5
255.19792	0.6
263.20288	0.6
265.18094	12.4
266.18393	0.6
273.18680	1.7
283.02466	1.0
283.19186	28.0
284.03296	1.2
284.19531	2.1
285.04050	4.3
286.04391	0.8
291.19778	3.0
293.08832	1.0
309.20703	2.6
327.21793	100.0
328.22122	7.9
377.58746	1.4
386.11310	0.6
458.61572	1.4
459.12979	0.9
459.23242	3.3
460.29507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.3
59.01383	100.0
60.01720	0.9
61.98844	0.4
67.80118	0.3
69.03471	0.6
69.42463	0.7
69.42858	0.5
69.65927	0.2
71.01390	5.2
73.02954	1.9
83.01392	0.7
85.02965	1.8
87.00900	0.4
87.04548	0.3
89.02459	2.3
95.01403	0.5
96.73319	0.2
98.55563	0.2
99.00899	0.5
101.02451	4.5
101.06107	0.9
111.00886	0.4
113.02460	2.5
113.03053	0.3
119.03549	0.8
125.02458	0.3
133.02998	0.9
135.04506	2.1
143.03561	0.6
161.02460	4.7
161.04530	2.1
162.02901	0.2
179.03534	1.1
180.63449	0.2
217.10861	0.5
255.19806	0.3
292.11414	0.3
297.04092	0.5
297.20789	0.7
327.21777	0.5
379.14053	1.2
381.23105	0.8
399.23895	2.0
400.24228	0.3
417.25031	2.4
459.09634	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2909
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
64.96545	0.6
70.46010	0.6
71.38609	0.9
107.05042	29.8
108.05365	1.0
108.43302	0.6
114.98949	0.6
145.53531	0.7
163.11308	100.0
164.11633	4.1
165.72841	0.7
221.75026	0.6
283.17065	26.5
284.17432	1.8
295.17035	15.3
296.17459	1.6
302.32993	0.7
459.29089	59.6
460.29486	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	459.312
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
54.93129	1.5
60.04007	1.4
61.98811	2.1
65.17652	1.7
69.03467	8.4
78.11085	1.4
86.13799	1.4
87.81072	1.5
107.05028	5.4
109.06597	86.8
110.06941	2.0
110.66824	1.5
116.92836	2.1
126.11463	1.5
135.54483	1.5
154.78084	1.6
162.06796	4.8
175.01508	2.1
177.09236	2.0
191.50565	1.6
223.09795	1.9
233.31236	1.5
303.26917	3.4
327.26944	2.1
341.28586	3.9
343.26147	2.8
343.30087	42.8
344.30328	5.6
371.33328	18.1
397.31223	9.5
415.32224	61.3
416.32413	6.7
459.31036	100.0
460.31253	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	460.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.6
61.98828	9.3
63.15264	3.9
69.40137	5.1
70.28670	5.5
70.29001	8.6
71.01382	38.0
72.99306	8.0
73.02953	8.6
81.93027	4.9
85.02959	11.1
89.02384	5.6
92.05062	10.5
98.22610	4.9
101.02439	14.9
113.02383	5.5
115.00365	36.3
120.04543	34.6
133.01450	70.9
133.02950	42.3
148.04059	100.0
161.04617	6.1
190.55399	4.3
199.04724	4.1
208.07610	7.1
218.06006	6.6
221.06685	6.9
233.10611	4.8
236.07185	10.6
252.06723	5.9
280.06189	71.1
281.06509	5.6
312.08710	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	460.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71859	5.9
55.79387	5.5
59.01384	69.7
61.41328	5.2
61.98829	15.2
64.23257	6.4
69.42512	29.9
71.01399	43.3
73.02940	14.2
79.90034	7.2
85.02940	11.4
89.02451	33.2
93.03464	14.3
96.96024	10.6
96.96930	6.9
98.21791	5.8
99.00896	9.1
101.02444	23.9
103.03983	8.3
109.02943	8.4
113.02435	14.7
119.03481	12.4
120.06228	5.9
121.02944	11.9
121.05087	5.9
125.02467	11.6
130.82652	6.1
134.03812	40.5
135.04117	24.7
136.04852	14.8
137.02437	12.7
147.04517	14.6
160.01692	12.0
161.02245	19.7
161.04547	14.7
162.02806	7.8
165.05614	8.3
166.06395	62.8
175.04007	16.4
176.04323	11.6
179.03462	20.5
181.08728	100.0
193.05061	54.7
194.05402	48.0
214.21365	6.4
221.08226	8.6
235.08310	12.1
406.55597	5.9
417.17422	7.6
460.15497	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51275	5.0
51.48829	5.4
59.01384	49.3
61.98849	7.5
63.48564	5.8
71.01385	36.0
73.02950	14.9
83.01408	7.9
83.61420	6.1
85.02956	21.2
87.00864	8.2
89.02458	23.9
98.21812	12.3
99.00901	6.6
101.02450	35.2
103.00709	6.6
113.02454	24.6
119.03513	9.6
145.08679	5.9
145.95840	5.5
153.01981	20.9
161.02504	6.6
161.04585	41.6
170.42735	5.3
176.55353	5.5
183.13884	11.2
204.26666	5.8
255.03094	7.5
269.04678	9.0
271.02515	12.0
299.01950	14.6
315.05194	8.7
329.23312	57.8
377.09570	5.0
414.66400	7.6
417.24948	100.0
418.25208	15.4
446.08707	6.6
461.11072	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14049	1.0
59.01382	16.3
59.29943	1.2
60.42677	1.1
61.98829	5.8
69.10101	1.3
71.01383	7.3
72.99294	1.2
85.02953	2.0
86.81496	1.2
87.00880	16.0
89.02450	6.3
93.03452	2.6
96.96014	3.0
101.02425	5.3
103.00322	1.2
103.36390	1.1
105.11595	1.1
112.98828	1.4
113.02444	1.8
115.10550	1.2
119.03507	1.3
123.04485	1.5
135.04515	5.5
137.02443	4.1
143.03540	1.6
149.00948	9.0
153.05548	1.8
153.09283	1.6
159.04483	6.9
167.04921	1.3
174.68524	1.2
179.03505	3.3
179.05605	1.5
181.06592	1.3
183.02979	1.5
185.06030	1.3
191.67522	1.5
195.08160	3.6
197.06113	1.8
199.07608	1.9
209.06079	1.3
211.04027	48.4
212.04463	2.9
213.05554	3.8
213.09030	1.4
221.06161	1.5
221.08115	1.3
221.11916	1.6
222.07002	1.5
223.07669	10.9
225.05571	14.2
226.06360	22.7
227.06763	1.8
241.08730	43.9
242.09071	2.3
267.06732	5.7
285.07715	16.6
329.06671	100.0
330.07050	8.7
373.09250	1.4
461.07199	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	461.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
57.43147	0.8
59.01081	1.3
59.01383	26.9
61.98824	1.9
69.03468	1.1
71.01389	13.7
72.72765	0.8
72.99324	1.4
73.02949	1.7
75.00867	2.2
83.01402	1.7
85.02955	3.4
87.00871	8.6
89.02460	11.8
93.03460	3.8
96.96019	2.4
99.04532	0.8
101.02449	8.2
103.00397	0.8
103.30521	0.8
107.05014	1.8
107.38369	0.8
109.02939	1.4
111.00849	1.2
112.98795	2.5
113.02451	5.5
116.21182	0.9
116.92808	2.0
119.03516	4.4
119.05035	2.4
121.34173	0.8
123.04562	1.3
125.02440	1.0
131.03474	1.3
133.02925	1.1
134.03778	1.5
135.02980	0.9
135.04532	7.3
137.02454	3.4
137.06117	1.5
138.05626	3.6
139.07629	1.8
143.03490	1.6
146.03685	0.9
149.00917	9.2
149.02158	1.3
151.04007	1.4
151.07652	1.0
153.05637	1.0
159.03244	1.0
159.04536	6.8
161.02484	1.2
161.04556	3.5
163.07689	1.8
166.05124	1.3
167.01758	1.7
167.04987	2.3
167.08691	2.5
171.08136	1.3
172.05264	1.8
176.04131	1.3
176.69235	0.9
179.03534	3.8
179.05611	3.2
179.08675	1.7
179.10760	1.2
180.03917	1.2
180.05795	1.1
181.06613	1.6
183.04549	1.3
184.05190	1.2
191.05609	5.2
192.05928	0.9
193.06601	1.5
195.04555	1.2
195.08154	4.3
197.06099	2.7
198.06848	1.8
199.07611	2.3
204.05753	1.2
205.06638	1.1
208.05287	2.8
209.06076	3.4
210.03232	2.5
211.04013	50.9
212.04500	3.7
213.05606	6.8
213.09146	2.0
221.06094	2.6
221.08194	1.2
221.11887	5.2
222.06860	1.7
223.07680	17.7
224.04747	1.4
224.08025	1.7
225.05603	18.3
226.06352	34.3
227.06720	3.0
239.12904	2.3
241.08714	55.8
242.09007	2.8
255.21056	1.0
267.06613	8.9
285.07739	18.2
293.08765	1.2
299.11203	0.9
327.05560	0.8
329.06689	100.0
330.06891	6.5
401.18073	2.0
461.07153	1.8
461.15903	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	461.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27971	0.2
55.01863	0.3
57.03445	1.1
59.01083	0.4
59.01384	7.5
61.98837	0.3
63.02400	0.8
65.00333	0.6
67.01901	0.5
68.53399	0.2
68.99819	0.3
71.01389	7.9
72.99319	1.3
73.02951	0.9
75.00868	2.1
83.01395	0.9
85.02955	9.8
87.00879	1.9
89.02436	1.5
91.01914	0.7
93.03461	2.3
95.01400	2.7
99.00898	3.7
99.92606	0.4
101.02490	0.5
103.00370	1.9
107.01379	2.3
108.02191	0.5
109.02973	0.9
111.00855	0.4
113.02458	13.8
114.02772	0.5
115.00372	0.9
115.92126	0.2
116.92889	0.3
117.01945	1.0
117.03461	0.6
119.01466	0.4
129.01962	1.0
129.91612	0.3
131.05037	0.5
133.02979	0.4
135.00891	1.1
135.04549	0.5
137.02457	0.6
141.07129	0.3
143.05060	1.6
145.02965	0.5
145.06613	0.3
147.04608	0.3
151.00398	1.3
154.04303	0.3
157.06607	0.9
159.04547	2.4
161.02454	1.0
163.00381	2.2
165.01913	0.6
167.05037	0.9
169.06598	1.2
171.04535	1.1
173.06116	0.3
175.02509	3.0
179.03531	0.5
183.04488	0.5
185.06094	3.4
187.04070	3.4
189.05568	1.6
195.04532	0.7
197.06090	1.0
199.04028	0.9
201.05559	0.6
211.03998	1.8
212.04790	0.4
213.05586	2.1
214.02673	0.7
215.03540	0.5
223.04005	0.3
227.03535	2.8
229.05074	11.4
230.05409	0.6
239.03572	1.5
239.20323	0.3
240.04269	1.3
241.05119	1.5
243.02953	0.5
255.02966	1.3
256.03806	1.1
257.04572	6.7
258.04858	0.3
263.12949	0.6
267.03018	1.1
277.49374	0.3
283.02722	0.3
284.03320	0.7
285.04071	100.0
286.04410	6.8
461.07449	3.0
461.14078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1094
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
55.66242	0.3
57.82103	0.4
59.01361	1.0
59.87923	0.4
65.00352	0.3
69.43713	0.4
71.01376	0.8
72.06741	0.3
77.19981	0.3
93.26558	0.3
97.97634	0.3
98.22595	1.2
101.02441	0.4
105.34196	0.3
112.63297	0.3
145.03168	0.4
151.00262	0.5
158.89981	0.4
160.04892	0.4
183.04506	0.6
196.50929	0.4
227.03465	0.8
255.03004	86.5
256.03430	5.8
267.02859	0.4
268.03821	1.2
269.04514	3.9
274.28506	0.4
276.00754	0.4
281.04565	0.7
283.02509	62.6
284.03168	12.8
285.04010	2.9
297.04068	14.2
297.07437	0.8
298.04837	15.8
299.05609	9.4
300.05966	0.8
313.03555	4.5
327.05154	0.7
392.13873	0.4
403.71695	0.4
446.08572	18.0
447.08786	2.3
461.10950	100.0
462.11292	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	461.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67844	0.6
55.47739	0.7
59.01370	2.4
59.62937	0.6
61.98834	100.0
65.73073	0.7
71.35702	0.7
87.00909	0.8
91.42279	0.7
125.02544	0.7
147.93181	0.7
155.10851	0.8
160.84276	1.3
162.83997	3.8
255.02953	1.0
272.52771	0.7
329.23206	1.2
343.12140	1.9
375.08994	1.0
398.12213	1.0
461.12469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1304
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
52.35913	0.2
59.01385	3.4
61.98835	0.8
65.00336	1.3
69.59827	1.1
71.01376	1.4
73.02953	0.6
85.02969	0.5
89.02454	2.5
91.01903	30.8
92.02252	0.8
97.02963	0.4
101.02464	0.8
107.01398	0.4
108.02203	0.6
109.02955	0.4
113.02454	0.5
119.03522	0.3
123.04535	0.3
125.02441	0.8
131.03497	0.6
134.03780	0.9
135.00896	34.3
136.01239	0.6
137.02437	0.3
143.03572	0.3
149.02415	0.5
149.04582	0.5
150.03218	1.3
151.99364	0.2
152.01114	0.3
153.01907	0.3
161.02487	0.5
165.05585	1.6
166.02786	0.5
167.03506	100.0
168.03842	3.6
178.02719	0.3
179.03427	0.3
193.05063	1.2
195.06616	0.7
233.06712	1.0
248.13968	0.3
261.07687	0.3
265.07092	0.3
293.08759	1.0
341.10278	0.5
386.50446	0.3
407.42911	0.3
450.51318	0.3
461.12982	3.9
461.19000	0.4
462.13028	0.4
473.44745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01168	0.4
59.01387	4.6
60.40142	0.5
61.98830	1.5
69.66663	0.6
69.66994	2.1
71.01389	2.2
73.02951	1.1
83.01369	0.5
85.02953	0.9
87.00876	0.8
89.02460	4.3
94.99483	0.4
95.02521	1.0
96.95986	1.3
99.00879	1.1
101.02448	1.9
108.03302	18.2
109.02958	1.6
109.04070	0.9
113.95394	0.5
115.00419	1.0
121.02921	0.5
121.03097	0.6
121.04095	9.2
123.05656	73.4
124.06001	1.9
125.02453	3.9
131.03554	0.8
133.81212	0.5
135.04523	0.7
137.02448	2.7
137.03572	5.9
147.05679	1.5
149.03488	2.5
149.04640	2.5
151.00401	0.7
151.04091	0.7
153.01979	1.5
161.02483	0.7
167.04633	100.0
168.04977	2.5
175.02469	1.9
175.03809	0.6
177.02026	1.3
179.03471	0.8
191.05722	0.6
205.01476	0.5
208.97765	1.1
223.96373	0.7
243.15427	0.5
250.98810	4.5
251.07869	0.5
313.00259	0.6
340.99811	1.7
355.01337	1.2
383.00717	1.4
384.01550	0.6
401.01645	0.7
461.14069	6.9
484.42697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.3
59.01381	10.9
61.98840	2.5
69.03448	1.2
69.23894	5.3
71.01382	11.3
73.02963	1.4
75.00880	1.8
83.01381	1.5
83.05016	1.6
85.02972	4.9
89.02450	2.9
92.61218	1.0
93.03469	3.0
95.01408	2.1
97.02956	7.4
99.00872	2.1
99.92593	2.5
100.93371	3.1
101.02477	1.9
102.84641	1.1
105.07114	4.1
105.82449	1.1
107.01452	1.2
107.05069	1.8
108.05848	5.4
109.02975	4.4
109.06556	1.6
111.04559	6.7
113.02477	6.0
113.06111	5.8
115.92129	2.9
116.92885	2.4
121.02932	1.4
121.06648	1.5
122.03742	5.1
123.08192	4.3
125.02433	1.7
125.06097	15.6
133.02913	2.6
134.03754	4.5
135.04500	3.3
136.05309	3.6
137.06068	3.0
138.06903	6.2
139.07678	17.6
141.81085	1.3
148.05286	2.5
149.06114	5.7
150.03241	8.7
151.07661	39.2
152.04810	6.2
152.08444	13.9
153.09235	16.2
159.11810	2.2
161.02449	3.9
161.09767	2.8
163.00354	1.9
163.07639	2.8
165.05589	9.1
167.07152	3.2
175.02513	1.6
175.03995	1.4
178.02737	2.6
179.03462	2.1
187.03966	1.7
188.08638	1.1
193.05040	9.8
195.06630	5.4
197.02312	2.8
201.12874	12.1
203.10789	3.7
204.11552	16.9
219.13913	38.1
229.05118	2.8
237.02269	1.1
241.01428	1.9
242.02203	1.4
245.11906	1.9
257.04611	2.3
263.12903	100.0
264.13263	6.8
265.07230	2.1
270.01767	2.1
271.02545	1.8
281.04309	1.5
285.04071	29.2
286.04352	1.8
287.12985	2.8
297.04095	1.4
299.01846	3.0
305.13928	2.4
323.07721	1.5
461.07376	5.3
461.12115	0.9
461.16046	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	461.167
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
52.18849	0.4
59.01384	10.8
61.98832	1.7
71.01386	5.3
71.41846	0.5
72.99328	0.5
73.02953	0.6
75.00875	1.7
83.01402	0.5
84.37178	0.3
85.02963	1.4
87.00891	0.8
88.60426	0.4
89.02448	4.4
93.03461	4.6
94.79522	0.4
95.01415	0.6
95.05055	0.9
96.91553	0.3
96.96021	0.5
99.00862	0.6
99.92603	0.4
101.02455	2.5
108.02174	2.1
109.02999	0.6
113.02453	2.4
115.00373	0.4
115.74372	0.4
116.92900	0.9
119.03538	1.4
119.04991	0.5
121.02982	0.7
122.03741	1.0
123.04537	71.2
124.04875	1.3
125.02467	2.2
135.03009	2.4
135.04541	3.2
137.02457	9.8
143.03493	0.6
147.04596	0.6
149.02486	0.4
151.04050	0.5
152.01163	3.9
153.05589	100.0
154.05933	3.2
157.30348	0.3
159.04475	0.4
161.02460	1.0
161.04590	0.7
161.06088	0.3
165.01958	0.5
167.01869	0.9
167.03491	5.6
168.02139	0.4
175.02510	1.2
177.01895	0.6
177.05525	0.4
179.03398	0.5
179.05656	2.1
191.03545	0.7
239.05650	0.4
249.42902	0.4
281.06693	1.9
293.08707	1.2
343.04587	0.5
354.00076	0.4
461.12592	2.3
461.16870	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03444	6.7
58.07755	2.6
59.01382	89.8
61.98827	5.6
63.07869	2.7
70.95198	3.1
71.01019	4.4
71.01384	57.5
72.99317	2.6
73.02950	19.8
74.80856	2.3
75.00879	12.9
76.35195	2.4
83.01385	8.9
85.02962	23.0
87.00882	8.5
89.02448	40.0
93.03442	10.5
96.96024	5.9
97.02925	3.0
99.00877	7.1
101.02442	45.2
102.23700	2.4
111.00865	6.0
113.02453	25.2
119.03558	3.5
121.02968	34.9
122.25945	2.6
124.02280	6.2
125.02459	5.1
131.03546	18.6
134.03700	4.2
135.04507	6.1
137.02451	30.2
138.05603	7.6
142.03293	3.9
143.03479	3.3
149.04549	9.4
149.31641	2.4
151.03922	2.9
154.01450	10.1
159.02965	4.3
161.02478	4.8
161.04608	16.6
165.05580	3.7
166.88405	2.4
179.03436	3.0
179.07045	2.6
181.04094	2.8
191.05536	4.3
193.05058	3.2
197.04564	2.9
211.04265	5.2
221.11829	8.0
230.03885	2.7
233.06799	3.8
239.09142	4.1
269.10358	32.5
275.07666	4.5
293.08820	6.9
401.14560	100.0
402.14752	6.5
461.15314	3.5
461.25635	3.3
461.99792	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.7
61.56461	0.4
61.98827	1.7
64.98074	0.4
70.47849	0.4
71.01399	2.7
72.99310	2.1
73.02962	1.3
74.02480	0.9
74.28721	0.4
75.00880	100.0
76.01241	0.5
77.09983	0.5
83.62267	0.4
85.02966	1.1
87.00882	1.1
89.02454	3.2
89.88432	0.4
95.28221	0.5
99.00931	0.5
101.02439	2.5
109.02975	1.1
113.02457	1.1
119.03521	1.0
121.03008	1.1
125.06113	0.5
133.03003	0.9
134.03770	0.7
135.04547	3.8
136.04912	0.6
137.02483	0.8
149.04581	0.6
150.03381	0.5
153.09215	0.5
161.04688	0.5
179.03481	3.3
179.05682	1.0
180.03975	0.6
207.06697	0.6
211.04320	0.8
225.11546	0.6
256.11978	0.7
277.46161	0.4
285.04092	1.0
300.14511	1.1
329.06757	1.6
461.13895	0.6
461.20459	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.9
57.03439	3.9
59.01385	28.0
61.98823	3.6
69.03458	1.3
69.09577	7.7
71.01389	45.2
73.02953	24.5
75.00885	1.8
83.01398	8.8
85.02954	25.2
86.00080	1.1
87.00889	2.7
89.02457	9.1
95.01405	2.5
97.02931	2.6
99.00884	8.9
101.02452	39.4
107.11928	1.1
113.02458	18.9
115.04005	1.2
119.03503	1.3
125.02462	2.7
126.11411	1.1
131.03535	2.4
131.69986	1.2
139.11273	1.2
159.02975	3.2
161.04573	19.3
179.14355	1.3
185.11926	2.0
233.06592	1.1
293.93912	1.8
329.19739	47.9
329.23315	3.6
330.20084	4.4
451.90823	1.3
451.96832	1.1
461.23975	100.0
462.24524	10.8
480.04739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
58.00607	0.7
59.01383	10.6
61.98825	0.7
63.13086	0.3
69.48238	1.3
71.01385	1.6
72.99310	0.6
73.02945	0.8
74.02466	1.1
79.54897	0.3
80.11371	0.3
85.02953	0.5
87.00883	6.8
89.02444	1.1
93.03445	0.3
93.22993	0.3
97.06578	0.4
101.02426	0.5
103.00377	1.6
104.03534	0.4
112.98826	4.7
113.02401	0.7
122.06052	0.4
125.02467	0.4
125.09734	3.5
127.11308	4.2
128.53682	0.3
130.99858	0.5
134.06122	0.8
135.04526	1.2
137.02359	0.4
137.09750	1.2
139.11284	1.0
141.09262	0.3
149.00958	1.3
155.10783	2.9
157.12329	0.5
160.04060	0.4
161.02515	0.4
165.09251	1.6
171.10292	5.3
179.03484	1.6
183.10294	0.7
185.11826	0.6
191.05733	0.4
199.09756	1.8
201.11330	36.7
202.11662	1.5
211.96721	0.3
255.02948	1.0
266.99197	0.4
275.20227	1.0
283.02631	0.4
285.04016	1.6
293.21240	3.0
298.04715	0.4
299.18481	0.3
311.22272	3.5
327.21603	0.7
328.22079	0.4
329.23343	100.0
330.23727	8.7
335.64615	0.3
401.21539	0.3
408.48495	0.4
440.30972	0.3
461.10971	0.7
461.23779	3.3
461.29520	0.4
462.27014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2036
Annotation	Sclerotiamide
Peak:m/z	Relative Intensity
55.56526	1.4
58.02992	1.7
59.01387	28.9
61.98849	10.4
69.60656	4.4
69.61004	2.3
70.02988	30.0
71.01395	11.9
71.02509	2.6
73.02932	1.9
82.52295	1.3
85.02974	3.6
87.00914	3.0
89.02449	10.4
93.03473	2.5
94.86504	1.2
95.02528	9.9
96.00935	22.0
96.96008	2.9
98.22555	3.0
99.05664	7.3
101.02468	7.3
109.02985	1.4
112.04034	1.3
112.05172	1.6
113.02464	4.6
113.03589	19.1
114.01984	62.4
115.00397	1.8
115.03994	1.3
119.03527	3.8
120.99615	1.4
121.04099	10.4
123.04591	2.1
125.03603	2.5
129.10364	30.3
130.08797	1.7
131.04643	49.6
133.02965	2.0
135.04518	4.1
137.02470	2.6
138.05614	4.4
138.06776	4.7
139.08836	2.5
143.11969	1.4
147.06020	2.7
150.05652	1.6
152.03563	5.0
153.10355	1.5
156.07794	2.3
157.04524	1.5
161.04575	3.4
165.03909	1.6
167.10660	2.1
169.01343	1.6
169.04456	15.6
169.09825	9.9
170.02820	1.5
173.03922	1.4
179.05684	2.7
186.07086	31.4
186.12535	5.4
200.03961	2.2
204.08163	4.9
212.04376	1.9
222.12299	1.6
224.12819	3.2
227.06715	1.5
239.71664	1.4
242.09027	4.8
243.06953	1.5
244.07523	2.1
251.15218	3.1
269.16306	1.5
286.07892	1.7
299.15497	100.0
300.15829	3.5
317.16516	69.8
318.16846	4.5
329.06741	2.5
329.16519	3.7
330.07065	7.6
331.17630	3.2
347.17596	19.9
388.20450	3.7
414.18115	4.2
432.19247	26.8
433.19876	2.1
444.19312	8.0
462.20370	95.4
463.21393	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0885
Annotation	(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid
Peak:m/z	Relative Intensity
51.29032	0.6
57.03456	1.8
59.01087	0.8
59.01385	14.3
60.34311	0.7
69.32052	1.6
69.32464	2.7
71.01027	0.9
71.01390	13.5
72.99316	2.1
73.02951	1.5
75.00875	2.7
78.76166	0.6
80.76640	0.6
83.01402	0.9
85.02966	1.0
87.00883	28.7
93.73265	0.7
99.00883	1.0
109.02943	1.3
115.00383	50.2
116.00713	1.3
121.02921	0.9
123.04534	1.7
125.02461	16.7
127.00382	0.8
135.03027	5.8
137.02428	1.3
148.01692	1.8
149.02426	1.9
151.00371	1.1
151.03983	1.8
159.02982	0.8
161.02415	3.3
164.01189	1.9
165.01938	1.5
167.03571	1.4
175.02492	100.0
176.01183	1.9
176.02809	2.1
177.01958	5.1
178.02713	2.1
179.03473	2.3
193.01408	2.0
195.03062	1.0
201.01894	0.8
202.99873	2.4
204.00687	2.5
204.46552	0.7
205.01418	1.7
241.05084	1.1
276.91052	0.7
283.06143	1.7
285.03748	1.0
287.05734	2.0
289.07263	3.0
298.85147	0.8
323.03928	0.9
327.05133	13.9
328.05408	0.8
345.06296	2.7
381.70123	0.8
456.15369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0886
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
52.67590	0.9
54.59304	0.9
59.01377	4.2
59.94537	1.0
63.02422	0.9
65.00332	1.1
69.61559	2.6
70.93090	0.8
71.01393	4.2
73.02976	1.3
83.01382	2.3
85.02952	2.0
89.02446	1.8
101.02422	4.6
107.01378	4.8
108.02171	2.5
109.02985	1.1
116.12939	1.1
121.02962	1.9
148.01660	2.6
151.00369	12.3
161.02357	1.1
161.04628	1.8
163.00410	3.1
164.01149	1.3
169.01402	1.2
178.99895	6.7
187.03975	1.2
192.00621	1.1
199.03792	1.3
203.03508	1.2
211.04152	1.4
226.02699	2.7
227.03487	3.7
243.02992	13.6
245.04646	1.8
254.02354	2.9
255.02997	31.9
256.03436	2.1
263.50427	1.1
271.02484	71.3
272.02914	5.0
283.02576	1.1
299.01743	1.3
300.02768	100.0
301.03503	57.4
301.07056	1.5
302.03912	2.4
311.07700	1.4
331.17722	2.4
368.31555	0.9
463.08856	85.6
463.21848	9.0
464.09253	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	463.0888
Annotation	Quercetin 3-galactoside
Peak:m/z	Relative Intensity
59.01379	3.2
61.98841	2.4
63.02399	0.8
65.00331	0.8
69.46825	0.7
69.47220	0.9
71.01386	1.7
73.02965	0.9
83.01389	1.3
85.02959	1.3
89.02442	1.7
91.01881	0.7
96.31241	0.3
101.02443	1.3
107.01397	2.6
113.02445	0.8
119.03477	0.4
121.02968	0.6
122.42547	0.3
124.01723	0.4
125.02480	1.1
131.03575	0.5
134.03732	1.2
135.00908	0.3
135.04466	0.4
137.02393	0.5
148.01657	1.1
149.02451	4.8
149.06049	0.3
149.99556	0.4
150.03230	2.6
150.68042	0.4
151.00391	4.4
155.12285	0.4
155.45833	0.4
161.02492	0.4
161.04611	0.6
163.00377	0.4
165.05656	0.8
167.03471	1.3
168.03806	0.6
169.03938	0.4
175.04028	0.6
177.02016	0.7
178.02759	0.6
188.04803	0.7
191.03560	1.3
192.77354	0.4
193.05069	2.5
195.06769	0.5
196.30040	0.4
196.42578	0.3
199.09689	0.5
214.02840	0.4
215.03584	1.8
216.04332	1.1
217.01456	0.7
227.03477	1.1
233.04498	0.4
243.03012	1.0
255.03029	0.8
271.02484	1.0
272.03290	7.2
283.02576	0.5
299.01944	0.9
300.02768	84.2
301.03519	60.2
302.03958	3.5
313.03506	0.4
331.17557	1.2
343.04565	1.0
403.19492	0.4
463.08865	100.0
464.09143	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1038
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
51.02385	4.0
51.04424	3.8
56.20386	4.3
59.01387	30.5
61.98808	7.5
68.46374	4.1
70.22832	11.8
73.02966	6.8
73.30669	4.1
78.95919	7.5
98.21956	5.1
99.70182	4.6
112.68159	3.8
133.02968	18.6
151.00430	7.7
152.99593	13.2
199.04074	5.1
213.75655	5.0
217.00368	7.3
241.18015	4.8
245.00427	4.8
255.03001	61.7
256.03763	29.7
281.32990	4.8
283.02515	81.9
284.03262	100.0
285.04037	99.7
286.04416	7.2
391.28958	4.6
445.09525	5.2
463.10519	14.0
463.25635	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53391	1.0
57.03442	1.5
58.00587	3.6
59.01387	49.7
61.98841	5.4
69.07198	4.7
69.07617	3.5
71.01388	15.0
72.99311	1.1
73.02947	6.2
74.02493	1.3
75.00880	14.6
76.15570	1.1
83.01423	1.9
83.05042	2.1
85.02970	3.7
87.00890	1.7
89.02456	15.2
99.00881	1.7
99.04539	1.4
101.02457	10.5
113.02475	6.3
118.06649	1.9
119.03531	3.0
131.03531	3.3
135.04462	1.1
146.06152	3.0
148.07709	3.2
148.18965	1.2
149.04564	4.4
149.58150	1.2
155.10721	1.7
160.04056	5.3
161.04834	76.8
162.05638	10.0
165.09251	3.3
169.08777	1.2
175.06508	1.3
175.94142	1.2
191.05728	2.0
192.03046	1.7
193.03825	9.9
204.06717	3.9
205.07445	3.5
205.12328	1.6
209.11852	13.9
217.07408	1.6
223.13408	4.8
227.12906	3.0
237.06302	1.4
253.09430	1.9
271.14560	4.2
283.10925	100.0
284.11209	6.5
327.66177	1.3
329.15076	3.3
331.17548	2.1
373.14072	23.4
374.14310	3.4
385.14032	4.4
403.15060	2.6
403.19562	2.5
421.99356	1.2
463.16949	15.7
464.18347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04153	19.3
52.13980	20.1
53.04515	21.8
56.08967	20.4
57.43068	20.2
59.01396	34.3
59.02060	20.6
61.98824	38.7
62.46347	20.5
71.43921	34.2
78.95912	85.2
130.42943	22.8
152.99585	48.6
155.27539	23.2
167.10927	24.4
217.00266	52.6
255.02953	41.7
256.03677	34.4
265.18042	100.0
283.02429	68.5
284.03284	83.5
285.03986	85.5
398.45300	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18243	0.6
55.01874	2.3
57.03444	3.4
58.00578	0.6
59.01384	26.7
61.98833	4.4
63.69519	0.5
69.03458	0.7
69.61511	1.7
69.61881	1.2
71.01387	44.0
72.99314	1.1
73.02954	17.8
75.00882	4.1
83.01398	6.3
83.05042	0.7
85.02959	19.7
86.00076	0.7
87.00867	3.5
88.93900	0.5
89.02453	10.7
93.03415	0.6
93.18815	0.6
95.01401	3.2
97.02990	2.6
98.22733	0.6
99.00892	7.5
99.92626	0.5
101.02450	34.1
102.02740	0.6
111.00877	1.0
113.02463	17.2
115.03990	1.1
115.92139	0.6
119.03476	1.3
125.02442	2.2
129.01964	1.2
131.03499	2.1
134.03722	2.7
135.04544	1.1
143.03523	2.2
149.02467	2.1
149.04521	3.1
149.06090	1.1
150.03242	2.6
153.09213	1.4
155.10803	2.0
159.03032	3.4
161.04567	19.1
164.04784	1.1
165.05618	2.2
178.02687	1.0
191.05638	1.6
193.05067	5.8
195.06703	0.6
199.09808	1.6
209.10124	0.6
209.11845	3.5
227.12984	0.9
233.06689	1.2
241.14433	3.0
253.09215	0.6
271.02563	2.5
272.91269	0.6
293.08777	1.4
300.02716	1.9
327.12259	0.9
328.46326	0.6
331.17618	29.4
332.17944	1.7
341.10281	1.0
373.13904	0.6
403.19724	1.9
463.09509	2.6
463.21906	100.0
464.22202	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.3
57.03432	3.4
58.00571	1.0
59.01384	100.0
60.72714	1.1
61.87999	0.9
61.98813	1.2
69.03419	1.6
71.01387	80.1
71.02656	1.9
72.01700	1.1
72.99290	1.6
73.02953	24.0
75.00857	2.9
81.03449	1.1
83.01399	6.9
83.66147	0.9
85.02957	21.9
87.00900	4.3
89.02452	82.0
95.01383	3.3
97.02935	2.6
99.00879	19.4
99.04494	1.4
101.02448	57.5
109.02898	1.0
111.00878	1.1
113.02472	19.9
115.04015	1.5
119.03527	11.5
121.02930	1.0
125.02455	6.3
129.89339	0.9
131.03511	22.1
135.04521	2.2
143.03459	3.8
149.04567	50.9
151.00359	1.3
155.10776	1.6
159.02943	2.2
160.26913	0.8
161.02457	1.5
161.04572	19.8
179.03445	2.0
179.05539	2.8
184.91016	1.1
190.33932	0.9
191.04199	1.1
191.05629	14.3
199.09773	0.9
209.11812	3.5
221.06795	1.2
227.12794	1.4
233.06711	2.1
243.02948	1.6
251.07675	3.9
255.02937	4.4
271.02499	9.3
285.03925	1.6
286.03909	1.1
293.08905	1.3
300.02792	15.6
301.03564	5.9
331.13870	1.4
331.17618	23.8
331.21481	1.2
332.17871	2.0
347.17047	2.8
403.19727	1.1
463.08929	10.3
463.21750	56.8
464.08743	1.7
464.22144	6.1
485.38858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
57.03458	4.3
58.00595	1.6
59.01387	100.0
60.01722	1.4
61.98838	1.9
69.03462	2.6
70.96298	0.8
71.01389	81.5
71.05048	0.6
72.01694	1.0
72.99319	2.1
73.02955	21.3
74.02518	0.7
75.00889	2.0
81.03462	1.0
83.01397	9.2
84.04495	0.6
85.02960	24.0
86.00134	1.0
86.67875	0.6
87.00892	6.5
89.02456	76.9
90.02793	0.7
93.03468	2.2
95.01401	3.3
97.02960	2.9
99.00900	7.9
101.02458	55.6
102.02805	0.9
107.33405	0.6
109.03008	0.8
111.00902	4.9
113.02463	21.6
114.02761	0.7
115.04039	1.3
119.03516	7.9
119.27203	0.6
121.02988	2.7
125.02497	4.7
128.01195	0.7
129.01976	1.2
131.03525	35.0
132.03951	0.8
133.02956	8.7
134.03798	0.8
135.04556	7.4
136.03995	1.2
136.04930	0.9
137.02422	0.9
139.04028	23.0
140.04420	0.6
143.03535	4.7
143.04733	0.7
148.04059	0.7
149.04575	45.1
150.04868	1.0
153.09225	7.4
155.10818	1.4
159.02974	2.0
161.02487	25.1
161.04556	16.2
162.02818	1.3
167.10950	0.7
173.04736	0.7
177.05537	0.8
179.03508	5.1
179.05659	2.0
183.10349	0.6
191.05626	13.2
194.97459	0.6
197.08241	2.1
199.09833	0.9
209.11835	1.0
215.05673	0.8
221.04607	0.8
227.12842	1.0
233.06679	4.1
238.15276	0.7
253.09142	0.6
257.10144	0.8
283.10760	1.0
293.08823	2.6
301.09268	1.1
302.09058	1.4
313.16757	0.7
323.07678	7.1
331.07739	1.3
331.17636	20.2
331.21564	1.1
332.17801	0.7
347.16968	1.2
373.14240	0.7
463.12701	6.0
463.21927	48.2
464.22263	4.1
474.74359	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	463.2208
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01886	5.8
57.03459	6.2
58.00603	1.8
59.01386	92.3
60.01710	0.6
61.98854	1.3
69.03466	2.8
69.40122	2.1
71.01389	100.0
72.01733	0.7
72.99301	2.4
73.02956	27.5
74.99122	0.4
75.00886	1.9
81.03469	1.3
83.01395	13.2
83.45389	0.5
84.02176	1.1
84.77810	0.4
85.02959	37.4
86.03296	0.8
87.00887	5.6
87.04550	0.5
89.02454	51.1
90.02758	1.0
93.03485	0.6
95.01397	5.0
97.02967	4.4
99.00891	9.3
99.04517	0.5
101.02454	60.1
102.02750	0.7
106.16109	0.5
110.70184	0.5
111.00887	5.2
113.02460	29.4
115.03999	2.0
119.03519	2.6
119.04964	0.4
125.02464	7.5
127.04047	0.7
129.01971	1.7
131.03519	26.1
132.03938	0.4
133.58635	0.4
135.04575	0.6
137.02420	0.5
143.03505	4.2
149.03349	0.7
149.04575	19.1
155.10840	2.2
159.03015	4.5
161.04581	37.9
162.04935	0.6
164.32544	0.4
173.04584	0.5
179.05667	0.9
191.05632	2.9
199.09753	0.7
199.13435	0.5
205.03545	0.5
209.11830	7.5
215.05617	0.5
227.12900	2.5
233.06671	5.1
253.09404	0.7
285.04007	2.0
286.04276	0.7
287.04590	2.6
289.18497	0.5
293.08789	2.7
300.02765	0.5
313.16562	1.1
331.17642	32.7
332.17905	1.2
389.12607	0.4
463.21872	79.8
464.22021	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.6
56.22068	0.3
57.03461	3.6
58.00603	0.4
59.01386	32.2
67.01900	0.5
69.03462	1.8
71.01389	58.2
72.99316	1.1
73.02956	26.0
75.00887	1.7
81.03472	1.2
83.01392	8.8
84.02211	0.4
84.02679	0.4
85.02961	27.1
86.00100	0.7
86.63782	0.4
87.00896	3.5
89.02454	16.7
95.01402	4.4
97.02958	4.1
98.03285	0.4
99.00893	10.7
99.04541	0.9
101.02456	43.2
102.02822	0.5
111.00902	0.7
113.02464	22.3
114.02835	0.6
115.04027	2.4
119.03525	1.8
124.92358	0.4
125.02454	4.7
127.04071	0.5
127.05219	0.5
129.01994	1.1
131.03525	3.7
143.03525	3.1
149.04553	3.2
150.93839	0.5
151.04057	0.4
159.03009	4.6
161.04575	31.3
162.04971	0.4
191.05652	1.4
209.11871	3.4
227.12906	1.2
233.06638	2.6
253.09331	0.8
293.08749	0.8
300.97198	0.4
331.17639	37.3
332.17926	2.4
463.21890	100.0
464.22275	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61689	0.3
57.03456	0.6
58.52631	0.3
59.01384	100.0
60.01727	0.8
60.63399	0.3
61.98837	0.8
69.16111	0.3
70.58514	0.7
71.01390	5.5
72.99310	0.4
73.02962	1.6
78.84940	0.3
83.05029	6.2
85.02983	1.1
89.02449	5.7
95.01449	0.3
101.02452	2.4
113.02457	2.7
119.03512	1.9
123.08203	0.9
127.74598	0.3
133.06543	0.3
143.03511	0.6
151.07722	0.4
153.09244	0.8
154.01469	2.0
155.01843	1.0
161.04736	5.1
165.09326	0.4
167.10777	2.5
169.08690	0.3
179.05652	3.6
187.11360	0.8
188.49773	0.3
205.12389	1.1
223.13519	1.2
241.14474	2.0
283.10901	4.3
308.96301	0.3
329.15921	0.6
337.06195	0.3
373.14139	0.7
376.52509	0.3
403.15286	0.4
403.19492	1.9
463.22278	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03454	1.8
58.13134	0.6
59.01386	100.0
61.98842	1.5
67.80865	0.6
69.15434	1.0
69.15849	3.8
71.01386	9.4
73.02954	2.9
81.18860	0.5
83.05042	7.3
85.02970	2.4
87.00903	0.7
89.02454	6.3
98.22701	1.2
99.00913	1.0
99.04536	0.7
101.02455	5.4
113.02476	6.2
119.03526	3.4
123.08172	1.9
129.71915	0.6
141.09273	2.2
143.03499	1.7
150.06902	1.2
159.03093	1.1
161.04572	10.2
164.07341	0.6
165.09227	4.6
167.10779	2.9
169.08705	0.6
179.05621	4.3
187.11220	0.7
205.12357	3.7
223.13405	7.6
241.14510	2.0
344.77881	0.6
403.19727	4.0
463.22116	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	463.2194
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
51.74939	0.6
55.01883	2.4
57.03445	3.7
58.00603	1.0
59.01387	100.0
60.01729	0.7
61.98840	1.3
69.03464	2.1
69.23042	4.3
71.01392	69.5
72.99319	6.4
73.02956	20.2
75.00881	84.0
76.01224	0.7
81.03461	1.2
83.01403	6.5
83.05034	2.0
85.02957	18.5
87.00880	5.4
88.04052	0.7
89.02457	84.0
90.02834	0.7
93.03487	1.1
95.01415	2.6
96.00912	0.7
97.02970	1.5
97.06605	0.8
98.21817	0.8
99.00894	9.8
99.04559	0.6
101.02457	49.0
103.04011	1.8
105.01939	0.7
111.00929	2.0
113.02470	18.3
114.77676	0.6
115.00417	0.9
115.04008	1.5
118.52272	0.6
119.03514	10.1
119.05042	1.3
123.08103	0.7
125.02472	4.8
131.03519	27.4
132.03860	1.0
132.04738	0.7
134.03728	1.8
135.04550	10.2
137.02469	0.9
141.09341	0.8
143.03537	3.3
149.04578	49.3
150.04881	0.7
151.04056	0.9
153.09264	7.1
159.03006	1.6
161.04581	12.8
165.09264	0.7
178.02742	1.2
179.03552	2.2
179.05682	2.0
180.06712	4.4
191.05637	14.9
193.05130	1.5
197.08224	1.0
199.09703	0.7
205.12297	0.9
209.11911	2.4
221.06766	0.8
223.13396	2.6
227.12897	2.8
233.06693	1.3
241.14449	1.0
249.18463	0.7
251.07845	1.9
257.12933	0.6
271.02390	0.8
275.07672	0.6
283.10968	1.6
283.15784	0.7
287.05594	1.2
293.08871	1.6
301.11963	1.5
301.19855	0.8
331.17636	10.8
347.20816	0.7
348.19559	0.9
373.14139	1.6
403.19440	1.0
463.21866	35.1
464.22266	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	463.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
58.88199	1.1
59.01381	10.9
61.29208	1.1
61.59211	1.0
61.98833	3.4
62.43948	1.2
69.14232	8.8
71.01389	11.7
73.02953	2.5
74.81011	1.3
75.29646	1.4
83.01412	1.5
85.02956	3.3
87.00870	2.8
89.02456	1.6
98.21886	2.3
101.02454	5.2
113.02464	3.2
124.01638	1.7
125.02480	2.6
209.11844	3.8
221.19110	14.9
239.20204	3.0
257.21106	1.5
265.18137	10.4
283.19202	14.8
301.20227	21.3
301.23560	2.8
302.20529	1.8
331.24850	2.2
349.57159	1.4
402.41412	1.2
445.24292	3.7
463.25534	100.0
464.25784	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	463.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65859	0.7
55.01871	1.3
57.03448	1.1
59.01386	26.8
59.69505	0.7
69.03458	1.0
71.01390	14.3
72.99296	1.5
73.02949	5.7
83.01379	2.7
85.02955	6.2
86.86888	0.8
87.00888	1.0
89.02456	15.2
95.01404	1.5
97.06616	0.9
99.00889	3.8
101.02451	12.2
113.02461	3.6
119.03498	1.6
120.53397	0.7
125.02478	1.3
131.03534	1.0
133.03018	0.8
135.04614	1.2
143.07231	0.8
149.04553	5.2
151.00275	0.9
151.04048	0.7
161.04567	2.0
191.05670	1.2
217.01401	0.8
220.99075	1.4
237.18492	0.8
243.06673	0.7
252.94319	0.9
255.03036	9.1
256.03336	8.5
257.03528	10.8
269.04602	0.9
271.02524	1.4
283.02505	4.6
283.19162	9.2
284.02817	7.5
285.03101	11.2
286.03802	1.7
297.04282	0.9
298.04553	1.9
299.04980	3.1
300.02686	2.1
300.05701	2.4
301.06445	1.5
301.20178	5.7
331.17499	1.2
345.13409	2.4
377.10641	3.6
427.16272	1.1
445.24496	1.7
448.09195	6.6
463.11661	31.8
463.25613	100.0
464.12177	1.5
464.25937	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03448	1.1
59.01385	29.6
61.98838	0.7
69.03440	0.7
69.46484	2.0
71.01385	17.7
72.99319	1.5
73.02953	5.0
73.07697	0.6
74.02486	0.7
83.01401	2.5
83.05024	0.5
85.02960	5.9
85.23839	0.5
87.00898	1.3
89.02457	14.1
92.45961	0.5
94.61953	0.5
95.01369	1.2
97.02949	0.8
97.06573	0.9
98.22602	1.4
99.00892	1.9
99.08176	0.7
101.02449	13.5
111.00902	0.6
113.02461	6.4
119.02774	0.6
119.03471	2.5
125.02478	1.0
131.03529	1.7
133.02930	0.5
135.04529	1.0
136.07719	1.4
143.07135	0.8
149.04550	4.2
156.68005	0.6
159.02959	0.8
161.04576	1.5
162.05675	0.7
179.03441	0.8
191.05721	1.2
202.91862	0.5
204.57370	0.6
209.11807	3.1
227.12947	2.9
255.02959	1.0
256.03391	1.0
257.03625	1.0
265.18103	1.3
281.17667	0.8
283.02487	0.9
283.19168	14.8
285.03320	1.0
287.10449	0.7
301.20135	7.7
331.17596	1.1
331.24966	1.4
419.22839	0.6
445.24539	2.8
448.09378	0.7
463.12103	4.3
463.25641	100.0
464.25900	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.0
59.37789	0.8
61.98819	1.3
70.06236	2.1
71.80080	0.8
78.95898	3.1
107.04990	1.3
121.02946	1.0
133.02971	19.2
134.03754	20.3
135.04535	53.1
136.04857	1.5
137.02457	8.8
139.04033	2.8
149.00101	9.4
150.03229	0.9
160.01727	1.1
161.02451	34.1
162.02872	0.8
170.32768	0.8
175.04002	7.9
178.02710	2.1
179.03491	21.1
190.81651	0.8
193.05020	3.5
194.98866	30.1
199.75703	0.7
217.00314	1.6
239.45372	0.8
249.89577	0.7
295.45792	0.9
332.14252	1.0
431.24344	9.3
432.24948	1.1
446.39682	0.9
463.11319	16.4
463.26996	100.0
464.11209	1.6
464.27237	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	463.3796
Annotation	Certonardosterol D3
Peak:m/z	Relative Intensity
71.41552	0.9
89.73788	0.8
110.42285	0.8
120.05834	3.2
125.06100	3.5
131.51006	0.7
135.08174	18.3
137.06061	2.7
149.65271	0.8
151.07706	1.4
157.08699	0.9
165.05630	1.2
170.05888	2.1
334.92169	0.9
403.35645	2.2
421.31345	1.6
421.36923	24.6
422.37204	3.7
463.37973	100.0
464.38330	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	464.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.9
61.98837	46.2
69.26764	10.1
69.27173	6.9
72.96155	2.4
87.92496	2.8
90.24314	2.6
101.02466	3.4
126.89268	3.0
135.11086	2.9
155.53714	2.9
164.86186	2.8
189.01939	15.0
201.01924	18.7
227.07230	6.1
229.05130	3.5
243.06689	6.2
244.07434	36.0
245.07698	3.5
259.09772	100.0
260.10095	7.0
283.22546	3.4
306.40768	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	464.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41428	2.9
59.01383	28.8
59.78258	2.9
61.98837	100.0
64.72864	2.9
67.07303	2.6
67.63338	2.6
70.71475	2.9
70.94440	4.1
78.95915	23.1
108.15823	2.9
114.14185	3.6
196.09511	3.1
259.76093	3.5
346.07227	7.3
390.05676	5.9
464.13831	21.4
465.14087	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	465.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88040	1.2
50.92479	1.2
57.03448	3.7
59.01382	100.0
61.98827	4.9
62.33475	1.3
63.10635	1.2
69.92467	1.3
69.92774	2.6
71.01385	12.1
73.02956	1.9
77.03981	3.6
82.22086	1.1
83.01395	2.2
85.02968	3.4
87.00899	1.5
89.02451	14.9
95.05031	5.6
97.02966	1.2
101.02455	7.0
105.01937	2.5
105.03461	16.1
109.02975	4.0
113.02455	3.9
119.03516	7.2
123.04491	3.1
125.02450	12.8
133.02968	83.7
134.03831	5.9
135.04504	1.8
137.02467	4.0
143.03534	1.5
145.02988	1.8
147.04576	2.0
149.02475	4.2
149.06104	3.1
149.09711	3.0
151.00418	3.6
151.03987	3.5
153.01938	3.1
159.04546	1.3
161.02467	2.3
161.04591	5.5
162.33807	1.3
163.00496	2.0
167.10797	6.1
173.06107	2.2
175.04063	7.6
177.01927	31.6
177.03453	2.0
177.05347	1.3
179.05638	4.3
193.05156	2.3
197.92459	1.3
199.03859	1.4
216.46997	1.5
217.05080	1.8
241.05087	1.5
243.16165	1.5
245.04552	1.4
259.06052	2.0
267.08707	3.9
271.06119	3.1
285.04114	10.0
287.05630	2.0
291.01447	1.4
301.45078	1.4
303.05090	6.6
303.08417	1.2
336.95535	1.4
405.21399	8.4
421.09076	1.7
447.07404	2.2
465.08777	1.3
465.19446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1041
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
56.73025	1.1
57.03450	9.6
59.01376	4.2
61.47787	1.1
61.53295	1.0
65.00327	3.2
66.16558	0.9
69.22294	5.3
71.01414	1.1
83.01399	5.5
87.12198	0.9
89.02477	1.1
91.01877	0.9
94.28951	1.0
107.01411	6.5
109.02950	5.5
116.09097	1.0
121.02978	3.0
123.04529	3.3
124.01701	2.0
125.02460	100.0
126.02785	2.9
131.92444	1.3
137.02461	4.9
139.04015	3.5
147.04550	1.5
147.25317	0.9
149.02441	13.3
150.03183	1.8
151.00398	27.9
151.04027	3.7
152.01154	3.8
153.01947	27.4
163.00436	1.5
165.01909	1.4
166.02666	1.1
167.03442	2.6
169.01430	1.3
174.03145	1.9
175.00398	3.7
175.02573	1.6
175.03986	11.8
176.01170	2.4
177.01927	21.8
177.03290	1.9
178.99878	18.0
179.03424	1.3
180.00653	2.1
181.01465	13.9
188.04861	1.7
189.05605	3.2
189.34676	1.1
191.03474	2.3
193.01433	1.3
195.02942	2.8
199.04057	5.0
201.01971	2.8
213.05632	1.2
215.87666	1.2
217.05038	6.8
221.94817	1.3
231.06604	1.2
241.05096	4.7
257.04532	1.6
259.06146	3.4
275.02902	2.0
275.05646	22.0
285.04080	56.0
286.04462	2.9
299.05786	5.8
303.05136	70.7
304.05487	5.0
317.06546	2.0
341.04987	6.5
343.06775	5.3
405.21344	1.3
437.10855	1.6
447.09039	3.8
448.09552	1.4
465.10422	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	465.1038
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03448	8.7
59.01383	22.7
59.79335	0.9
60.01679	1.0
61.98816	2.2
63.02375	1.0
65.00332	1.8
71.01369	4.5
71.12075	1.0
71.41845	1.0
73.02949	1.0
81.03468	1.4
83.01386	6.1
85.02945	2.1
87.00874	1.1
89.02451	5.9
93.03440	1.0
95.01366	1.4
97.02954	1.0
101.02415	2.1
105.03455	2.8
107.01411	5.2
108.02180	1.2
109.02952	4.2
109.46513	1.0
113.02461	1.9
113.86157	0.8
119.03536	1.8
121.02961	3.5
123.04524	5.5
124.01599	1.8
125.02455	88.6
126.02721	2.1
131.03474	1.0
133.01419	1.0
133.02980	9.7
135.04478	1.2
137.02451	3.3
139.04050	3.2
147.04504	1.7
149.02437	8.8
150.03183	1.8
151.00381	27.7
151.04021	4.0
152.01160	4.4
153.01938	17.2
161.02472	2.3
161.04565	1.7
163.00340	6.8
165.01927	3.0
169.01358	2.0
171.04536	1.4
172.05276	0.9
174.03224	1.8
175.04007	14.2
176.01186	4.7
176.41658	0.9
177.01941	41.4
177.03506	2.1
178.99875	14.0
180.00523	0.9
181.01457	2.7
185.06232	1.0
187.03932	1.0
189.05576	3.3
191.03511	1.1
199.04008	6.8
201.01971	1.8
213.05579	2.7
215.03488	1.1
215.06978	1.0
217.01474	1.2
217.05034	9.5
231.06642	1.4
241.05069	6.5
243.16077	1.9
257.04559	2.5
259.06232	4.5
267.03067	1.2
275.05679	8.4
284.03372	1.9
285.04065	100.0
286.04391	6.7
303.05121	84.0
303.25449	0.9
304.05551	5.7
315.07040	1.4
327.05060	1.6
341.05060	3.5
405.21304	6.0
447.08441	3.4
461.38913	1.0
462.42764	1.3
465.09891	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	465.1041
Annotation	(2S,3S)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
53.15197	0.7
55.01875	0.8
57.03455	14.2
59.01382	19.5
60.01714	0.8
61.98833	1.9
64.50658	0.7
64.95254	5.6
65.00332	1.7
68.95803	0.7
69.03477	1.1
71.01384	11.9
72.01707	0.8
72.85770	0.8
73.02945	2.2
75.00867	2.5
83.01379	6.1
85.02948	3.6
87.00875	2.0
89.02463	7.8
95.01392	2.0
96.02179	2.0
101.02461	7.2
107.01399	2.9
108.02184	1.9
109.02959	2.7
111.00946	1.4
113.02439	6.9
113.06066	0.9
113.07207	0.9
119.03528	2.3
121.02962	2.7
123.00914	1.6
123.04526	6.3
124.01672	7.8
125.02457	100.0
126.02787	2.3
131.03500	3.6
132.03885	1.2
133.02910	1.9
135.04507	1.8
137.02469	3.0
139.03995	1.6
147.04539	1.3
149.02469	7.7
149.04533	2.1
150.03226	12.9
151.00394	10.1
151.04021	8.6
151.05132	1.3
152.01167	19.0
153.01967	7.1
153.05589	0.9
159.03137	0.7
159.05670	0.9
161.02451	2.1
161.04585	2.1
161.06020	1.1
163.00458	1.8
165.01830	1.1
165.05612	1.4
171.10277	2.5
172.05229	1.3
172.07686	1.8
173.06114	1.9
174.03165	2.0
175.04005	4.6
176.01184	1.9
177.01889	5.2
178.99864	5.9
179.05560	1.0
180.00674	1.7
181.01422	1.0
187.04039	1.3
188.04744	1.9
189.05568	5.1
191.03525	1.6
193.05008	3.1
195.06633	6.3
199.03951	1.2
201.02074	1.0
213.05759	1.0
216.04349	1.4
217.05037	10.4
231.06644	2.6
233.00957	1.1
241.05042	1.6
257.04565	0.9
259.06113	13.3
274.04996	1.8
275.05304	7.1
275.07913	2.9
284.03366	1.8
285.04074	26.0
286.04559	2.4
293.08783	3.1
303.05142	9.9
303.08456	1.5
303.13177	0.9
303.21750	1.4
304.05167	1.2
312.08612	2.2
332.17981	1.1
335.09894	5.6
355.17899	1.1
421.11389	1.8
437.10870	18.8
438.11191	1.9
445.91156	0.9
447.09357	7.9
465.10400	72.1
465.19516	3.4
465.27286	2.1
466.10840	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	465.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70314	0.4
59.01365	1.8
61.98815	0.7
63.02424	0.5
72.97511	1.0
81.03481	0.5
89.02426	0.7
89.03951	0.6
93.03476	1.1
95.05018	1.8
97.02953	0.8
98.21889	1.5
106.84012	0.5
108.02184	11.0
109.02962	18.1
117.03481	0.7
119.05058	0.9
121.02925	1.9
122.03751	1.1
123.04536	19.9
125.02436	1.5
129.20522	0.5
132.02153	0.6
133.02960	2.7
134.03731	1.7
135.04504	1.3
137.02437	2.1
145.02954	1.6
146.03746	0.6
146.71568	0.5
147.04533	2.2
148.01709	0.7
149.02448	2.3
149.06110	0.6
150.03192	0.8
151.04016	7.2
159.04503	1.9
160.01630	4.2
161.02446	2.4
161.06102	1.1
162.03242	1.3
163.03940	1.6
173.02409	0.5
175.04010	4.0
176.01134	1.2
177.01945	24.9
178.02319	0.9
179.03458	0.8
187.04106	3.4
188.04678	1.4
188.68405	0.5
189.01958	38.5
190.02711	12.4
191.03505	7.5
193.05072	0.7
203.03465	3.6
203.07156	1.2
205.05038	0.9
216.00642	7.7
217.01430	24.0
217.89536	0.5
218.02074	3.2
219.03000	9.0
220.03214	0.7
227.07115	1.0
229.05150	1.1
229.08713	1.4
231.02980	8.9
232.03659	1.1
233.04507	0.8
237.05705	0.9
240.04211	0.6
243.06531	1.3
245.08115	1.1
247.10538	0.6
259.06070	1.2
269.04553	1.9
271.06161	5.3
275.03793	0.7
281.04611	5.3
282.05154	0.8
289.07227	5.9
297.04440	0.8
297.07568	3.3
298.04776	0.6
301.07089	2.1
303.16052	1.1
313.07190	2.0
323.05722	0.9
341.06668	100.0
342.07047	7.4
346.14169	1.2
347.15002	4.9
348.15414	0.7
355.08200	8.2
379.12198	7.0
465.11975	32.2
465.26877	2.3
466.12259	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	465.125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09815	0.6
59.01389	3.6
62.45723	0.7
66.76561	0.6
66.86158	0.7
71.01403	1.1
71.44320	0.8
72.99316	2.4
75.00880	100.0
78.29511	0.6
81.06595	0.7
85.02977	1.2
89.02454	1.5
93.03445	3.5
100.65376	0.6
101.02432	0.8
103.99082	0.6
111.04549	0.7
113.02480	1.2
119.03521	1.2
131.03561	0.7
133.02979	2.1
141.07059	0.8
159.08157	0.9
173.04602	2.7
179.05679	0.8
191.05582	4.6
231.43781	0.7
273.04169	1.6
291.05252	1.0
293.08752	0.8
351.07346	1.7
419.41595	0.7
447.09348	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	465.1402
Annotation	Agnuside
Peak:m/z	Relative Intensity
54.33859	0.8
54.41107	0.7
57.03440	2.9
59.01387	10.5
61.98831	3.9
65.03986	1.2
68.66563	0.8
69.03458	1.1
71.01389	5.3
73.02937	1.5
74.02444	1.4
75.00891	1.3
76.19167	0.8
78.91891	28.7
81.03480	1.2
83.01395	7.1
85.02966	1.8
89.02447	3.6
93.03468	2.6
95.01435	1.2
97.02967	4.9
101.02452	2.8
107.05036	2.4
108.02203	1.1
109.02966	7.3
113.02438	1.8
119.03503	1.4
121.02947	3.0
122.03760	7.2
123.04538	2.5
124.01665	1.0
125.02453	13.5
135.04509	2.5
137.02455	52.5
138.03195	2.7
139.04008	1.2
149.02452	2.0
150.03238	9.0
151.00336	2.4
151.04002	8.1
153.09229	1.3
159.04425	1.3
160.04021	1.2
161.02448	5.9
161.04608	1.5
163.04070	1.1
165.01942	4.3
165.05533	6.8
166.02713	2.9
167.03513	2.3
173.06035	1.1
175.03989	1.1
177.01930	2.1
179.03557	2.3
186.03094	1.0
189.01984	2.1
191.03505	1.0
200.04701	1.0
201.05589	2.3
202.06367	2.6
203.33971	1.0
205.04759	1.1
213.05496	0.8
217.01485	5.5
217.08649	0.9
220.07422	3.7
233.04547	1.4
235.09743	1.1
244.07428	3.6
259.06207	1.8
259.09808	1.7
269.04535	3.1
270.05267	2.8
285.04028	3.2
285.07843	2.4
293.57059	1.0
295.02286	0.9
303.08752	100.0
304.09140	6.1
378.00195	1.0
387.20288	1.0
420.22198	1.4
420.71814	1.3
421.09442	2.4
429.14072	1.9
447.07153	3.2
465.08215	4.8
465.19614	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	465.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.9
59.01385	50.7
61.98823	1.4
65.45548	1.3
69.03486	1.4
69.69675	3.4
71.01385	6.9
73.02950	2.4
83.01395	1.7
83.05045	1.5
85.02962	2.1
89.02461	5.3
90.23611	1.1
101.02469	4.9
109.02961	2.1
113.02466	2.9
119.03542	1.4
120.99712	1.4
133.02986	1.7
135.04555	1.6
137.02461	2.4
151.04025	1.2
161.02481	7.5
162.03180	1.6
165.01942	1.4
165.05646	1.4
167.71071	1.1
175.03981	1.4
177.01962	4.0
179.03438	1.3
179.10808	1.7
181.06647	1.4
190.02731	5.6
191.03607	1.3
203.03587	1.3
215.07140	1.4
219.03046	2.4
225.05592	8.5
241.05057	2.4
243.06648	100.0
244.06892	4.2
255.02995	2.3
259.09802	10.8
267.16061	18.5
268.16495	1.6
285.04141	2.9
285.07498	1.6
285.20779	5.0
297.04062	2.0
303.08768	24.9
303.21698	2.8
343.11908	4.3
348.74692	1.1
379.12241	4.2
447.07294	3.4
465.08408	1.5
465.13708	5.4
465.20740	1.5
465.27295	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	465.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64700	1.3
55.00558	1.5
57.03452	3.1
59.01384	56.4
61.98834	2.3
69.03459	5.0
69.17439	8.8
71.01392	36.6
71.05035	1.5
72.99303	2.5
73.02949	30.9
75.00877	11.4
77.71695	1.2
78.31008	1.2
78.66080	1.3
83.01363	6.9
83.94271	1.3
85.02964	13.4
85.06593	5.0
87.00900	8.5
87.04523	1.9
87.95079	1.5
88.79907	1.2
89.02453	18.2
93.03440	1.5
95.01405	3.5
95.05056	1.7
97.02955	2.5
98.22684	2.9
99.00857	3.1
99.04535	1.4
101.02454	29.2
106.88535	1.3
107.01411	2.1
111.00858	1.5
113.02464	24.6
113.06107	12.0
115.03989	6.8
117.03434	2.7
119.03516	6.9
119.69167	1.5
131.03690	15.3
132.02194	10.8
133.02946	6.3
133.05121	2.2
134.03741	15.8
135.04529	5.3
137.02406	2.3
139.03981	6.5
143.03574	2.6
143.05077	1.8
145.05124	2.6
147.86366	1.6
148.04053	4.2
148.05214	2.2
149.06105	3.0
151.00351	2.9
155.10809	26.1
157.05083	2.6
158.02499	2.5
159.04518	2.1
160.01675	51.7
161.02470	15.9
161.04588	5.9
165.54498	1.8
173.04556	1.2
173.06052	1.3
173.32629	1.3
174.01880	1.6
175.02769	3.0
175.04022	53.2
176.04311	3.8
177.01961	1.5
179.03479	3.9
179.05640	3.4
183.04541	4.7
185.06013	2.2
185.11777	2.0
189.04317	5.4
190.05110	85.5
191.05603	3.4
193.05051	15.2
194.05414	2.0
199.09766	12.9
211.04094	1.9
227.03514	8.7
228.03842	2.1
229.04996	1.7
235.06215	6.8
255.02995	35.2
256.03452	4.4
275.07788	18.7
276.07932	1.5
283.02496	45.1
284.03137	16.4
285.04059	100.0
286.04459	10.5
293.08813	13.1
295.08133	2.0
303.21588	3.1
307.10263	2.4
333.19034	4.6
335.09888	32.2
336.10172	2.1
337.05359	1.7
347.17035	10.0
352.10391	19.1
376.58368	2.5
377.08585	2.2
383.59167	27.2
384.09573	63.7
384.59653	17.0
385.10178	3.3
431.10052	1.7
437.29214	1.6
447.09348	9.9
448.09805	1.9
465.12207	12.8
465.19730	14.1
465.26932	7.7
465.62366	5.1
466.10825	1.9
483.15179	13.1
484.15579	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29774	1.1
55.01881	1.7
57.03437	3.5
58.03838	1.2
59.01383	100.0
67.10852	1.3
69.03459	14.7
69.24700	5.8
71.01385	44.9
72.79045	1.1
72.99302	1.4
73.02952	58.6
74.03260	1.2
75.00887	1.7
81.03460	1.8
83.01382	15.0
83.05025	1.6
85.02964	13.2
85.06597	14.4
87.00877	12.2
87.04510	3.4
87.12897	1.1
89.02450	27.0
95.01399	4.4
95.05043	1.5
97.02919	1.2
99.00900	3.4
99.04549	1.1
101.02448	52.5
111.04539	1.8
112.01694	2.2
113.02458	48.4
113.06094	34.3
114.02753	1.2
115.04017	12.3
119.03505	12.8
125.02507	2.1
127.04084	1.2
130.02824	1.2
131.03525	14.9
133.02979	2.4
133.05060	6.6
133.69487	1.1
134.03709	1.1
135.04555	3.1
137.02530	1.7
139.04004	10.9
143.03479	3.7
149.04527	2.0
153.05643	1.7
155.10759	1.3
157.05107	6.6
161.02457	3.1
161.04527	11.5
167.03537	1.4
179.03386	1.3
179.05615	4.9
243.02876	1.3
255.03099	2.5
257.03461	1.2
262.65063	1.2
271.02423	3.2
273.03024	3.3
275.07730	46.6
293.08792	42.1
293.11450	0.9
294.09235	1.5
297.42957	1.2
299.01984	1.8
300.02637	1.5
301.03250	5.4
302.03482	8.5
303.03973	4.6
303.07330	1.5
303.21619	2.7
307.10455	6.1
335.09854	85.9
336.10092	5.4
343.11813	1.7
384.58188	3.5
385.08383	1.5
421.09027	2.9
447.14984	1.7
465.09387	9.8
465.15851	3.3
465.22388	3.9
465.27789	2.9
466.10486	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	465.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.4
57.03457	8.7
58.00585	2.2
59.01384	100.0
69.03465	17.1
69.30066	6.8
71.01388	64.4
72.99328	2.2
73.02956	24.9
75.00881	3.9
81.03465	3.2
82.19330	1.9
83.01405	9.4
83.05042	6.0
85.02963	37.2
85.06609	9.7
87.00889	9.0
87.04531	4.1
89.02453	38.7
89.03011	2.0
93.03443	3.9
95.01401	10.4
95.05033	3.7
97.02985	2.1
98.21842	3.6
99.00887	5.3
101.02461	38.2
111.04530	8.3
113.02459	70.2
113.06094	11.6
115.04043	4.6
119.03535	13.4
123.04528	6.1
125.06088	3.2
129.01874	2.1
130.02791	2.8
131.03513	16.7
133.02951	3.5
133.05124	3.9
135.04575	9.0
139.04024	4.7
143.03508	4.4
145.02881	1.8
149.04532	2.6
155.10776	1.9
161.02441	7.5
161.04553	10.0
168.27827	1.7
173.04572	1.8
179.05612	4.2
180.06667	1.9
191.05702	3.3
195.06590	2.7
229.14383	2.9
255.02946	2.1
266.26526	1.8
275.07761	74.0
285.04141	13.8
285.12341	2.6
293.08823	51.9
294.09183	4.2
303.14511	1.8
303.21817	2.3
335.09860	89.8
336.10202	5.0
377.08566	3.3
377.59058	2.3
405.21381	3.1
465.20605	1.8
465.27420	17.1
466.27124	2.5
469.13458	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	465.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16095	2.9
54.48970	2.9
57.03442	2.9
59.01382	20.3
61.26382	3.2
61.98821	7.9
62.64478	3.1
67.77057	3.2
69.36436	5.8
69.36837	10.9
71.01371	11.7
73.02928	4.0
85.02954	4.3
89.02467	5.0
101.02467	6.5
105.34849	3.6
113.02479	3.6
119.63815	2.8
128.96791	2.9
135.04503	3.3
145.03009	5.6
179.10762	8.8
190.24057	3.5
255.02863	3.9
267.16013	100.0
268.16461	5.1
285.04041	5.6
285.20648	6.6
303.22034	3.6
326.83627	3.1
424.71219	3.1
465.19705	6.2
465.26993	41.7
466.89038	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	465.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	1.5
57.03495	1.2
59.01095	1.4
59.01385	38.1
61.98883	1.3
69.21581	3.3
71.01386	25.3
72.99322	0.8
73.02951	12.0
75.00896	1.2
83.01430	2.7
85.02954	9.3
87.00928	2.3
89.02455	32.1
89.37787	0.8
93.03490	1.3
95.01432	2.2
99.00891	10.3
101.02450	17.6
102.02832	1.0
103.00401	1.7
105.82934	0.7
111.00942	0.8
113.02464	11.9
119.03536	4.6
125.02489	2.1
131.03510	5.8
133.02980	5.9
134.03773	2.1
135.04562	5.0
135.08176	1.8
137.09732	7.3
143.03476	1.3
149.04575	21.0
155.10797	100.0
156.11143	3.9
161.02451	16.1
161.04576	2.7
175.02504	1.0
177.01935	1.0
177.05595	0.9
179.03493	4.2
179.05640	1.6
191.05649	5.8
192.05971	0.8
193.04999	1.4
199.09781	41.4
200.10068	1.5
215.11806	0.8
221.06638	0.9
227.03532	2.0
228.78253	0.7
251.07663	1.5
255.02856	2.0
283.02206	1.0
284.03220	1.2
285.04071	28.3
286.04294	4.5
293.08621	0.8
303.21591	1.5
323.07684	0.8
333.18561	3.1
375.04016	0.8
377.08749	6.6
377.58588	2.2
408.53867	0.8
447.08789	0.8
465.19247	53.9
466.19519	4.1
469.13428	7.1
470.13782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01385	100.0
60.01709	1.0
61.98839	4.6
69.55798	1.0
71.01396	8.6
72.91445	0.4
73.02974	0.9
75.83067	0.4
85.02978	1.4
87.00906	0.9
89.02454	12.9
93.03504	0.6
95.01418	0.4
101.02469	5.8
113.02453	4.1
119.03525	6.1
121.03006	1.0
121.90751	0.4
131.03572	1.0
143.03552	1.6
149.04628	1.3
149.09814	0.5
161.04553	3.2
167.10840	1.3
173.04622	0.7
179.05655	3.2
218.66942	0.4
243.16068	1.2
405.21323	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06777	0.7
57.03445	2.9
59.01385	100.0
61.04260	0.8
61.98851	4.8
70.62280	0.9
70.74995	1.2
71.01386	10.7
73.02956	1.5
85.02937	2.5
87.00890	1.9
88.04066	1.2
89.02448	17.8
91.39400	0.8
101.02459	7.9
101.16949	0.9
105.01939	2.4
110.48766	0.8
113.02467	5.7
114.45142	0.8
119.03510	7.8
128.31573	0.8
131.03568	1.8
134.03741	3.5
135.04486	0.9
143.03485	1.4
149.06079	3.5
149.09731	4.7
153.09232	1.2
161.04611	4.5
167.10806	10.4
179.03502	1.0
179.05605	5.3
191.05585	1.7
193.05096	2.6
212.71590	0.8
225.14908	2.0
243.15962	1.9
248.03877	1.6
267.08786	5.2
285.04050	1.2
316.69104	0.9
405.21271	7.2
421.20886	2.0
430.15591	1.0
465.20410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18206	1.2
61.26939	1.2
61.98812	1.6
83.11552	1.3
95.57912	1.3
103.57908	1.5
114.93417	1.9
116.92867	4.6
143.42741	1.3
172.05322	1.8
176.01117	2.7
177.01985	2.9
187.07639	4.1
192.00714	2.0
200.04855	4.6
203.07245	1.5
204.00661	19.5
205.01370	9.3
215.07127	2.4
216.04257	1.6
217.01456	6.9
231.06619	11.6
259.06131	100.0
260.06531	5.6
288.24429	1.4
328.13184	98.7
329.13422	6.9
410.24310	1.1
441.28577	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	465.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.5
61.98811	41.2
70.75436	30.1
123.25901	36.3
145.18253	29.7
153.02821	28.6
170.88309	100.0
196.58087	35.2
201.01898	31.8
210.97118	37.0
277.21600	53.7
465.10739	33.8
484.07483	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	466.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70990	1.0
56.60811	1.0
59.01377	11.9
61.42951	1.0
63.24592	1.0
70.59997	1.8
71.01398	5.4
74.53503	1.1
78.95910	3.9
79.95718	1.2
88.92709	1.1
90.44021	0.9
96.64736	1.0
96.96022	50.3
96.96974	4.5
100.86524	1.1
101.02504	1.6
113.65752	1.0
114.93394	3.9
116.05093	9.1
118.03002	10.8
118.96659	1.8
125.02390	1.2
130.06633	8.4
131.03757	1.6
132.98189	2.1
134.06119	2.5
141.75082	1.0
142.06631	1.1
144.04561	52.3
145.04840	1.6
146.02486	38.4
146.06134	1.5
156.98196	1.5
158.06129	17.8
160.04050	2.8
160.97655	1.9
162.05606	3.1
170.99791	2.6
174.93481	1.1
176.07184	7.5
177.87224	1.2
185.11101	1.0
186.05600	2.9
186.99240	2.9
188.03520	1.8
198.99271	2.0
204.03468	1.2
204.06644	11.2
210.23776	1.0
214.01938	1.1
215.99754	5.2
216.03432	2.7
230.04582	1.9
230.98532	2.5
232.02930	12.8
236.02350	1.8
242.02153	1.8
244.02815	1.5
246.00819	8.4
246.04593	1.8
248.02327	1.5
258.00919	8.9
258.04440	3.4
259.01331	2.8
260.02429	5.6
262.00418	2.3
262.03912	2.9
272.02304	1.9
274.03998	71.3
275.04227	3.5
276.98880	1.4
286.00201	1.5
288.01855	2.4
302.03482	100.0
303.03668	5.6
304.01385	4.7
306.09747	2.6
308.07867	3.7
332.70801	1.1
344.48578	1.0
350.09012	5.5
368.09918	25.2
369.10254	2.3
406.04648	14.9
422.07916	6.6
466.06870	6.9
483.28583	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	466.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99314	0.3
53.63434	0.2
59.01117	0.4
59.01384	4.3
61.56212	0.3
61.98838	2.9
62.45087	0.3
70.61496	0.6
70.61901	0.3
71.01390	2.1
71.05015	0.8
73.02943	0.6
75.00847	0.3
76.04921	0.2
77.53263	0.3
79.94870	0.3
85.02966	0.8
85.06590	0.5
89.02440	1.7
90.02738	0.3
99.00813	0.3
101.02447	1.4
102.00159	0.3
113.02486	1.4
114.05647	0.4
115.04006	2.7
116.05067	2.6
117.05560	0.5
119.03506	0.5
120.37276	0.3
131.03665	0.3
133.02936	0.5
134.72911	0.3
135.04521	0.7
138.05576	0.5
159.03285	0.8
160.04056	100.0
161.04448	4.0
164.07213	0.6
173.04512	0.3
174.05585	0.3
179.05598	0.3
191.05653	1.6
197.31068	0.3
202.05168	0.7
204.03018	5.8
205.03412	0.4
236.30812	0.3
287.10385	0.3
304.08325	0.3
323.14841	0.3
348.07108	0.4
366.08322	2.4
388.20905	0.4
406.21722	0.3
407.23120	0.4
408.09286	1.3
430.14020	0.3
448.12094	0.6
466.13626	19.4
466.19781	1.3
467.13895	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	466.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01386	13.9
60.01710	0.8
61.98837	100.0
63.52317	0.4
69.70321	1.2
71.01393	4.3
71.01748	0.5
72.01751	0.4
73.02969	0.8
85.02968	1.1
85.23879	0.4
87.00893	0.8
88.62719	0.3
89.02459	4.6
90.02786	0.4
93.03429	0.4
101.02454	2.4
101.06250	0.4
113.02494	1.2
119.03492	1.8
121.02994	0.6
125.02425	0.3
126.55743	0.3
134.06108	0.4
135.04599	0.4
135.06927	0.6
135.19102	0.3
143.03471	0.4
144.26752	0.3
149.04697	0.4
149.09789	0.7
152.07248	0.5
153.05714	0.3
161.04648	0.8
164.07242	0.4
167.10847	1.4
168.11111	1.0
179.05707	0.8
191.05666	0.8
248.04153	0.4
263.68631	0.4
287.14063	2.1
301.43457	0.4
304.06668	0.3
335.17236	1.3
375.59964	0.3
402.31628	0.4
405.21350	0.3
406.21738	2.2
407.22888	1.6
449.19171	0.6
466.20316	0.6
488.30109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.6
60.01715	0.6
61.01814	0.8
61.98838	100.0
65.54030	0.4
65.83380	0.4
71.01399	1.2
71.41514	0.4
78.91877	0.5
85.02985	0.5
88.99403	0.3
89.02476	1.1
93.03503	0.5
113.02410	0.5
113.80000	0.4
133.03064	0.4
135.04608	0.4
137.02483	1.1
160.04044	3.7
161.02513	0.8
179.03548	0.7
181.58228	0.4
191.05679	1.1
192.84656	0.4
198.11250	0.4
243.15964	0.4
281.15793	0.3
285.04181	0.4
389.37994	0.4
405.21362	0.4
406.21729	0.6
466.13297	0.7
467.15594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01386	13.9
60.01710	0.8
61.98837	100.0
63.52317	0.4
69.70321	1.2
71.01393	4.3
71.01748	0.5
72.01751	0.4
73.02969	0.8
85.02968	1.1
85.23879	0.4
87.00893	0.8
88.62719	0.3
89.02459	4.6
90.02786	0.4
93.03429	0.4
101.02454	2.4
101.06250	0.4
113.02494	1.2
119.03492	1.8
121.02994	0.6
125.02425	0.3
126.55743	0.3
134.06108	0.4
135.04599	0.4
135.06927	0.6
135.19102	0.3
143.03471	0.4
144.26752	0.3
149.04697	0.4
149.09789	0.7
152.07248	0.5
153.05714	0.3
161.04648	0.8
164.07242	0.4
167.10847	1.4
168.11111	1.0
179.05707	0.8
191.05666	0.8
248.04153	0.4
263.68631	0.4
287.14063	2.1
301.43457	0.4
304.06668	0.3
335.17236	1.3
375.59964	0.3
402.31628	0.4
405.21350	0.3
406.21738	2.2
407.22888	1.6
449.19171	0.6
466.20316	0.6
488.30109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.266
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26588	1.1
61.98838	100.0
71.44850	1.2
74.03674	1.2
78.95908	3.8
94.63974	1.3
117.29102	1.1
152.99599	1.6
245.11736	1.3
249.10388	1.1
271.86035	1.2
398.61945	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	466.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09782	1.7
59.01370	2.0
60.17089	1.5
61.98835	100.0
69.12312	10.4
78.95911	2.1
83.71226	1.5
87.27579	1.5
96.62182	1.7
114.84811	1.4
153.64566	1.4
181.84520	1.5
234.52527	2.0
293.72430	1.6
305.13931	4.2
316.19781	1.7
439.62448	1.7
467.19290	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	467.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.4
70.64685	3.9
71.12711	1.5
73.11574	1.5
75.10961	1.4
75.11372	1.5
123.00900	2.7
126.26749	1.8
137.02432	1.9
150.19505	1.8
151.00377	1.7
161.02435	3.8
164.01114	2.6
175.00296	1.7
176.00955	2.1
178.99869	4.2
189.01881	2.1
190.02682	3.7
190.99741	1.9
192.00650	96.6
193.00958	3.4
201.01936	11.0
202.02632	3.7
203.03444	8.9
207.02983	100.0
208.03313	3.9
225.05637	3.6
225.16498	1.7
241.04970	4.0
243.06653	10.1
259.06131	19.9
261.07678	68.7
262.07941	2.3
277.82150	1.7
408.30173	1.7
467.19180	3.7
477.15927	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	467.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.01381	37.6
61.98831	3.8
69.03467	0.9
69.42644	4.5
71.01389	13.1
72.99318	1.5
73.02953	20.3
75.00883	1.1
83.01412	2.0
85.02970	5.9
86.00083	1.1
87.00858	5.6
87.04514	2.0
89.02462	11.0
93.03487	1.4
95.01429	0.9
97.02932	1.5
98.21795	0.8
99.00859	1.4
99.04558	1.0
101.02449	18.1
103.04015	6.5
108.02209	0.9
109.02970	8.7
111.04530	1.7
113.02479	2.6
115.03998	5.1
116.92892	2.0
117.73431	0.8
119.03486	3.3
121.02975	1.3
123.04562	5.1
125.02451	7.1
127.03972	1.0
130.71120	1.0
131.03510	6.7
133.02980	2.5
135.04552	5.0
137.02444	3.8
138.03207	1.2
139.04025	1.8
141.09238	7.3
143.03491	6.9
145.02950	1.2
145.05075	3.0
149.02440	1.5
151.04025	2.7
159.04605	1.2
161.02478	5.7
161.04605	1.9
163.04033	1.3
163.06140	23.0
165.01965	1.3
167.03448	2.0
175.03979	1.8
177.01930	6.5
179.03531	2.9
189.01927	13.1
190.02676	1.7
190.05116	5.7
191.03531	1.6
192.62094	0.8
193.05115	1.3
196.32248	0.9
199.04053	1.8
202.70203	0.9
203.03445	1.9
205.07213	9.9
210.77063	1.1
213.05598	3.1
214.02664	1.6
216.00684	2.0
217.01436	12.1
227.03549	7.1
228.04251	4.4
231.03046	1.7
243.02946	10.2
255.03004	39.2
256.03754	14.9
257.04550	7.3
259.06274	1.2
261.07639	4.2
265.09277	2.1
269.04468	7.3
282.01840	2.9
283.02521	7.6
284.03131	2.8
285.04047	11.2
289.07285	2.5
297.04031	6.6
299.05551	1.6
304.09558	2.5
305.10626	1.1
305.13986	3.3
313.07126	1.1
334.09512	1.0
357.06253	10.8
366.46362	1.0
389.06723	2.1
407.07730	100.0
408.08090	8.7
423.10220	1.9
438.70123	0.9
449.08621	4.0
467.09756	16.9
467.20874	10.3
468.10162	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	467.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.5
59.01384	15.8
61.98838	2.0
69.11485	7.1
69.51468	1.1
71.01388	7.9
73.02951	4.5
81.03501	1.3
83.01414	1.5
84.82016	1.3
85.02961	2.4
89.02454	6.1
89.46193	1.3
93.03459	2.2
96.96009	2.5
101.02457	9.5
103.04005	1.4
109.02962	19.7
111.00937	1.4
111.04556	4.4
113.02448	2.1
119.05082	1.2
123.00890	1.8
123.04527	4.8
124.01670	2.0
125.02471	11.0
127.60222	1.2
128.57765	1.4
133.02962	5.2
134.03760	3.2
135.04576	1.7
137.02464	6.6
139.04051	6.3
147.04491	1.3
149.02487	2.9
151.04018	2.6
161.02440	9.6
161.04498	1.7
162.03215	3.5
163.04022	3.0
163.06131	5.7
165.01938	1.8
167.03519	6.8
170.76717	1.2
175.03992	2.1
177.01945	28.2
178.02406	1.3
179.03601	3.1
179.05348	1.4
187.03986	2.1
189.01956	32.3
190.02702	4.5
191.03529	2.4
199.04060	2.3
201.05698	1.2
203.03654	1.3
205.07275	2.1
214.02795	2.7
216.00624	5.8
217.01448	30.3
218.01952	1.9
219.03014	3.0
227.03543	4.7
228.04327	5.1
231.03015	4.4
242.02278	1.9
243.02977	9.6
251.36365	1.4
253.04997	3.0
255.03015	30.7
256.03735	15.9
257.04489	5.3
269.04501	4.0
280.03714	2.5
281.04611	5.7
282.01700	2.8
283.02496	4.8
284.02985	2.6
285.03961	7.6
288.02646	1.8
295.06128	1.9
297.04123	4.0
299.05594	9.7
303.04013	1.7
304.04019	1.8
305.06818	2.9
305.14084	4.1
313.07172	1.4
315.05048	3.1
357.06192	57.7
358.06335	2.5
379.11917	2.2
389.06680	2.5
407.07748	100.0
407.19150	3.8
408.08093	9.4
408.12787	1.6
449.08432	2.4
467.09811	33.4
467.15533	4.1
467.21393	3.9
467.28671	3.4
468.10193	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	467.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36628	4.0
59.01369	14.8
60.67883	3.8
61.98825	3.8
71.01385	12.3
77.66465	4.0
85.02952	10.9
87.00881	6.0
93.03465	6.9
96.22444	4.0
111.04526	5.2
115.00391	5.4
119.03516	3.7
133.01474	8.5
133.68626	3.5
135.03043	8.4
149.90935	3.8
152.11992	3.9
173.04582	13.6
191.05624	100.0
233.96530	4.5
278.95792	4.0
293.08786	5.7
404.18942	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12572	3.1
59.01384	100.0
66.78590	2.6
71.01025	3.6
71.01389	53.4
71.05022	4.8
74.83685	2.6
80.92065	3.6
82.90816	2.9
85.02959	8.3
89.02451	96.1
101.02443	28.1
113.02457	21.9
115.04017	6.8
119.03515	33.1
131.03506	6.2
143.03485	10.6
161.04558	11.0
164.07150	3.1
179.05641	58.6
293.08813	11.5
313.06647	3.4
314.78528	3.1
467.17529	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	467.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01384	27.9
60.99308	2.4
61.98818	1.4
65.96127	0.4
67.01897	4.1
69.03452	1.5
71.01385	3.8
71.44057	0.6
73.02956	0.9
78.91899	0.7
81.03449	1.3
83.05026	1.1
85.02957	2.0
87.00887	5.9
88.98813	3.1
89.02453	1.6
93.03468	29.9
94.03838	0.6
96.96030	0.8
99.00912	1.0
99.04529	1.0
101.02454	2.0
103.03974	0.5
104.02695	10.8
108.02090	0.7
109.02950	2.2
111.04539	5.0
113.02437	1.0
120.02147	1.2
121.02965	0.5
129.01964	0.9
133.02977	4.0
134.03760	9.9
135.04575	4.6
136.01627	1.0
137.02457	7.9
147.18861	0.5
148.01680	14.0
151.04024	1.4
153.86946	0.5
154.02699	0.5
155.03534	1.6
157.08699	1.1
161.02408	0.6
161.04480	0.7
173.04568	23.0
176.01157	100.0
177.01932	22.6
178.02698	5.8
179.03461	1.9
191.05626	11.7
196.03856	0.9
231.10281	1.2
245.08200	19.6
246.08578	1.2
257.08298	0.9
275.09265	2.4
290.26404	0.6
293.10324	3.9
335.20905	0.5
339.06915	0.5
347.18607	0.9
351.07068	0.6
370.09033	0.8
407.26675	0.7
449.14557	9.4
450.15280	1.2
466.27637	1.0
467.15543	9.9
467.27548	1.7
468.15808	0.9
486.59509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14420	0.5
59.25919	0.6
61.98823	1.7
69.56155	0.7
69.57935	2.4
78.95906	2.9
85.00412	0.6
86.95447	0.6
99.92592	17.6
100.93373	57.8
101.93375	2.1
114.94946	5.6
115.92087	100.0
116.92094	2.8
116.92858	4.7
132.92348	1.6
135.04318	0.6
140.77167	0.5
142.94435	64.5
143.94417	2.0
152.99577	3.9
167.15573	0.5
169.93195	1.4
242.10739	0.5
279.23291	14.7
280.23618	0.7
311.09918	0.7
379.15781	1.8
409.23679	1.3
422.40646	0.6
467.32004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78881	4.3
57.03433	11.5
59.01390	28.2
61.98834	14.3
71.01380	18.7
82.23799	4.9
83.01373	7.0
85.02943	7.8
87.00793	5.1
87.04519	37.3
89.02444	6.9
93.03453	13.4
97.02950	15.8
99.04501	13.3
101.02451	6.1
108.02199	6.1
109.02951	23.7
113.02454	9.0
120.45598	5.3
121.02979	13.2
122.03729	13.2
123.00901	10.1
123.04507	14.2
124.01660	32.4
125.02480	34.3
133.02945	4.8
134.03775	8.5
135.04552	23.1
136.01634	7.5
136.05327	10.6
137.02441	70.7
138.03224	9.3
139.04018	27.6
146.03729	10.2
149.02396	11.4
149.06125	11.3
150.03325	4.7
151.03938	8.7
152.85001	5.0
158.03761	5.1
159.04555	5.5
161.02464	28.3
161.04610	7.4
161.06052	8.8
164.01187	7.0
164.04863	5.3
165.01973	33.8
175.03944	7.1
176.01186	13.6
176.04774	6.3
177.01973	23.8
177.05571	5.2
179.03488	10.8
183.10364	22.7
191.07109	5.5
201.05556	5.7
205.05034	6.7
215.07057	10.4
217.05128	5.6
226.21243	5.2
241.12479	7.2
243.06471	6.6
243.13820	29.0
245.08162	5.8
267.16135	12.6
269.04562	5.1
269.17599	100.0
270.17899	5.3
275.12979	14.1
287.05576	5.9
287.12854	47.9
287.92618	4.8
288.06265	9.0
297.03873	5.1
305.13974	25.9
305.17322	6.4
319.11865	23.4
357.13422	9.3
431.23361	4.9
437.12222	11.8
437.88913	5.3
449.12350	16.2
452.16727	9.7
454.42224	4.7
467.13309	52.7
467.19443	51.8
467.25723	6.5
468.13394	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	467.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
57.03449	2.7
59.01385	59.5
61.98818	3.8
69.54485	5.3
71.01388	35.2
73.02947	16.7
75.00916	1.6
80.43851	1.2
83.01398	9.2
85.02950	18.0
87.00888	2.4
89.02457	6.6
93.03465	4.1
95.01390	2.1
96.36494	1.1
97.02915	1.3
97.06564	1.5
99.00885	3.7
101.02445	38.0
104.53769	1.3
106.64278	1.0
113.02460	18.9
115.04036	1.4
119.03503	1.1
120.83334	1.2
125.02461	2.7
129.02023	1.8
132.31297	1.2
135.04611	1.4
143.03531	1.9
147.03249	2.1
159.02991	4.6
159.04248	1.3
161.04559	16.3
173.04572	2.8
173.08220	1.6
187.07808	1.5
191.05641	15.3
250.20294	1.2
261.13431	55.8
262.13757	2.0
275.09158	1.6
305.10544	2.5
407.19220	100.0
408.19711	7.5
449.14496	1.6
467.15601	3.8
467.21606	1.7
467.28540	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	467.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72818	1.3
54.57013	1.2
59.01386	100.0
61.98835	1.9
69.03441	1.5
69.08616	7.8
71.01389	30.7
72.99326	2.5
73.02956	29.3
80.71069	1.4
81.03476	1.6
83.01399	3.1
83.05038	2.9
85.02969	14.6
86.00121	1.7
86.47775	1.3
87.00882	10.8
87.04521	3.0
89.01899	1.2
89.02452	30.7
89.79834	1.3
93.03474	11.7
101.02457	41.2
103.04020	16.4
109.02893	1.3
111.04613	1.3
113.02450	4.8
115.04026	8.6
117.54941	1.5
119.03519	11.9
125.02499	1.8
127.03967	1.8
131.03526	7.0
134.03763	4.6
135.04544	1.7
136.01683	2.9
137.02484	2.1
143.03551	8.3
144.09180	1.4
145.05095	5.3
155.10803	1.9
161.04572	2.9
163.06143	55.6
171.10309	2.2
173.04562	9.2
176.90227	1.5
179.05568	4.0
182.22389	1.2
187.07582	1.4
191.05640	28.9
205.07213	20.5
231.10394	1.9
257.08203	2.7
265.09311	3.9
270.07748	1.7
275.09601	1.9
275.15112	2.0
280.41760	1.5
293.10349	3.0
407.14032	1.2
407.19199	29.8
408.19531	1.7
447.37396	1.5
449.14746	2.2
467.15366	5.6
467.21262	2.2
467.28833	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	467.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	5.3
57.03453	4.7
58.00597	0.7
59.01384	44.4
61.98826	1.2
64.91259	0.6
67.01893	1.6
69.03451	2.9
71.01387	49.7
72.99320	1.8
73.02953	29.3
74.02447	0.7
75.00867	1.9
77.97594	0.5
79.94671	0.5
81.03458	1.4
83.01392	11.2
83.88684	0.7
85.02954	27.7
86.00111	1.5
87.00881	5.9
89.01937	1.1
89.02455	14.9
90.24318	0.6
93.03465	12.0
95.01382	3.1
97.02979	3.1
98.21867	1.2
99.00885	10.1
99.04520	1.6
101.02449	56.7
108.02205	0.9
109.02940	1.9
111.00924	4.4
111.04536	1.7
113.02460	20.1
115.03993	1.9
119.03506	2.0
121.02956	1.2
123.04556	0.7
125.02461	4.0
129.01973	1.8
131.03510	3.8
133.02965	1.3
134.03763	8.4
135.04570	3.4
137.02446	2.6
141.01990	1.2
143.03476	2.1
148.04057	1.6
149.04590	1.9
151.04036	0.8
155.03500	0.7
159.03000	4.2
161.02513	0.9
161.04562	15.7
171.13945	0.8
173.04553	14.0
173.15506	1.4
177.01941	1.5
178.02728	2.7
179.03465	1.9
191.05649	6.7
193.69952	0.8
209.04578	0.7
211.12231	0.6
231.10275	1.1
233.06677	3.3
243.16010	0.8
257.08243	0.8
275.09277	1.4
285.04050	1.2
293.10284	2.6
335.20767	84.9
336.21155	5.1
347.18732	1.4
449.14471	1.8
450.21558	0.6
467.15765	6.6
467.25009	100.0
468.16025	0.8
468.25388	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3167
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
69.13397	2.4
74.04428	0.4
78.95909	0.6
88.88476	0.4
97.06582	0.4
97.55872	0.4
113.93156	0.3
137.09688	0.4
146.86720	0.4
172.75098	0.4
183.85840	0.4
185.60135	0.4
191.14413	0.4
203.52309	0.4
225.94951	0.4
293.17740	0.4
391.26419	6.9
391.31143	0.7
392.26657	0.8
405.28006	4.2
406.28149	0.7
407.29572	5.2
408.30051	1.1
421.31125	93.3
422.31454	10.9
423.32568	3.7
424.32724	0.5
467.31665	100.0
468.32004	12.0
484.90182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3173
Annotation	3,11-Dioxoolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
50.74854	0.5
57.03463	2.5
62.02278	0.6
67.94125	0.4
68.75539	0.4
69.03461	0.9
83.05028	3.0
94.75859	0.5
98.22636	0.8
116.92862	0.6
127.03990	1.1
139.07733	0.9
197.63548	0.5
248.81992	0.4
295.13895	0.5
302.55399	0.5
354.25983	0.6
384.65234	0.5
389.28430	0.9
395.29138	0.6
405.31519	2.3
421.31494	1.5
423.32678	20.5
424.33075	2.0
467.31717	100.0
468.32095	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	469.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27659	1.2
59.01386	9.8
61.98846	9.4
71.01373	6.2
73.02959	3.2
77.03965	3.3
80.21922	1.5
82.95405	1.5
83.01396	3.4
84.99314	5.1
85.02950	2.0
89.02460	3.8
95.05029	11.4
97.02989	2.9
101.02441	2.7
105.01951	1.8
105.03468	24.8
109.02955	11.4
112.98818	84.0
113.02458	2.2
119.05005	4.2
121.02970	3.0
123.04559	11.3
125.02438	5.8
132.02211	1.6
133.02966	100.0
134.03337	2.2
135.04549	19.6
137.02441	12.3
139.03983	2.8
147.04520	7.7
149.02452	2.9
151.03992	6.4
161.02431	4.3
161.06114	3.2
163.04022	5.6
165.01968	4.5
174.03238	3.3
175.04024	12.8
177.01936	35.9
178.02249	1.6
179.03510	7.2
180.04179	1.4
187.03973	2.0
188.04736	2.5
191.03441	1.9
195.06583	3.8
199.07596	2.8
201.02051	2.0
203.03548	2.4
203.07152	6.3
205.05038	4.1
208.96861	1.4
217.08589	2.2
219.03041	2.5
221.08307	1.8
225.07666	2.1
229.08473	2.5
245.08141	7.6
247.06042	2.2
271.09567	1.7
289.07208	44.7
290.07593	2.5
304.13239	1.5
305.13513	3.6
306.14090	3.3
315.08771	14.2
317.06555	1.4
469.12436	2.3
469.22894	6.4
490.97409	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	469.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92458	1.0
57.03437	2.2
59.01379	5.2
59.54233	0.9
61.98825	3.7
64.43941	1.1
65.17779	0.8
71.01376	2.7
71.40159	1.3
73.02917	0.9
77.03951	2.2
80.91683	1.0
81.03448	2.1
83.01408	2.8
84.67525	0.9
84.99325	2.6
85.02963	2.2
89.02451	2.1
89.03938	1.2
93.03477	1.9
93.91798	1.1
95.01398	1.1
95.05042	5.4
95.14898	0.9
97.02958	6.9
101.02418	1.9
105.01954	3.7
105.03450	8.8
107.05032	1.1
109.02961	29.7
112.98817	34.9
119.05002	1.5
121.02965	3.8
122.03735	1.6
123.04534	16.2
125.02456	17.6
126.02814	1.1
133.02969	38.8
134.03734	1.4
135.04541	40.9
136.04926	1.2
137.02449	17.2
139.04050	2.9
145.02911	1.3
146.03760	1.5
147.04529	3.8
149.02457	4.3
149.06064	1.6
151.04021	15.6
159.04517	3.6
160.05310	1.9
161.02457	3.6
161.06078	5.3
162.03221	2.3
163.04051	6.0
163.11089	1.1
164.01173	2.9
165.01967	4.5
167.03555	1.4
174.03233	1.7
175.04007	5.2
175.07719	1.6
177.01921	16.7
177.05530	2.4
178.46788	1.1
179.03473	9.1
187.04051	5.0
188.04793	3.8
191.03459	1.8
195.06664	1.2
201.05577	1.0
202.06390	1.6
203.07173	10.6
205.05043	11.8
219.03085	1.0
219.06644	1.0
221.08133	2.9
227.07153	2.2
229.08652	3.3
230.05750	1.1
239.80457	1.1
245.08218	14.1
247.06091	2.4
271.06104	1.0
271.09879	1.6
289.07205	100.0
290.07526	4.6
307.15521	1.3
315.08746	32.6
315.12427	1.6
316.09018	1.5
317.06638	3.5
329.06750	1.5
341.06644	1.3
387.16586	1.9
451.09891	1.3
469.11642	3.9
469.17957	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	469.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01376	2.6
61.98811	0.9
69.94168	2.3
69.94516	0.7
71.01358	1.8
81.03466	2.3
83.01382	3.5
83.05054	0.9
89.02459	1.9
93.03476	1.9
95.05018	2.7
96.95989	0.8
97.02942	6.2
101.02547	0.7
107.05028	2.4
108.02207	1.0
109.02953	27.6
112.98793	1.3
121.02967	2.1
122.03759	1.0
123.04537	16.7
125.02458	11.9
133.02962	3.6
135.04538	35.2
136.04866	0.9
137.02457	15.5
138.03262	0.8
139.04033	4.4
142.36569	0.7
145.02936	0.9
146.03688	1.6
149.02415	4.3
150.03322	0.8
151.04005	13.5
159.04529	3.2
160.05295	1.8
161.02434	2.4
161.06053	4.8
162.03221	1.7
163.03993	5.2
164.01169	3.4
165.01927	11.0
165.05540	1.3
167.03558	0.8
173.06049	0.9
175.04018	2.7
175.07669	3.0
176.54704	0.9
177.01907	1.4
177.05498	2.1
179.03511	10.2
180.04257	5.6
185.06058	1.9
187.04012	5.2
188.04793	3.5
190.02766	1.2
191.03493	1.6
193.05035	0.8
195.06615	10.5
202.06369	2.4
203.07135	13.6
204.07544	0.9
205.05058	14.1
206.05344	0.9
210.05255	1.0
221.08228	2.3
225.07663	2.7
227.07172	2.5
229.08824	1.8
231.03055	1.2
245.08174	15.1
246.08543	1.0
247.06058	1.2
271.05981	1.3
271.09723	1.3
289.07190	100.0
290.07526	6.5
298.54596	0.8
315.08765	28.6
316.09073	1.5
317.06631	2.7
317.38190	0.9
341.06577	1.1
421.15250	1.5
469.11359	2.1
469.18152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98832	5.0
70.99316	1.7
71.01389	10.1
78.91888	11.5
85.02956	2.3
87.00900	3.9
89.02452	8.7
89.59461	1.7
101.02444	9.4
107.05051	3.9
113.02463	5.4
114.05594	2.2
117.98278	2.0
118.96676	2.5
119.03517	4.1
119.98056	1.7
121.02927	3.1
133.02972	89.4
134.03369	2.2
135.04509	2.5
143.05051	3.1
147.04500	2.0
151.04013	18.3
156.98044	1.9
157.06618	5.9
159.04500	2.7
159.08142	11.1
161.04607	2.3
179.03458	4.7
179.05661	2.5
183.04393	2.9
184.05296	81.2
185.06076	56.7
186.06418	3.5
203.07133	20.7
227.07214	3.8
228.04285	6.5
229.05058	77.8
230.05400	7.3
246.05330	3.4
247.06120	9.0
252.67236	2.0
347.11215	10.3
391.10376	4.4
409.11780	11.1
410.07718	4.9
485.90421	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	469.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57809	0.7
54.05885	0.6
56.09816	0.6
57.03456	62.6
59.01387	11.5
61.98821	2.1
63.43997	0.7
67.06229	0.7
69.06238	0.7
71.01395	4.9
71.42913	0.9
73.02954	2.5
83.01402	1.6
85.02969	1.7
87.00908	0.9
89.02449	1.4
92.97505	0.7
93.03460	1.1
97.02990	0.8
99.04529	38.6
101.02458	14.9
113.01788	0.7
113.02448	3.3
125.02462	17.7
142.16483	0.7
148.05324	100.0
149.05594	3.4
161.04538	5.5
163.07668	85.4
164.08002	2.3
173.04474	1.0
173.15329	0.7
469.16986	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	469.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.4
57.03455	7.8
59.01385	62.0
61.98558	5.5
61.98838	41.3
67.97048	4.4
71.01389	41.8
73.02959	16.3
83.01402	5.0
85.02946	17.3
87.00921	8.7
89.02443	23.4
89.26676	4.1
89.68362	4.8
89.93111	4.3
93.03434	8.2
96.96008	10.6
99.04511	6.8
101.02010	3.9
101.02463	41.2
108.02158	6.0
113.02418	17.9
119.03487	9.5
133.02965	6.8
135.04512	14.9
135.53857	5.4
137.02406	5.7
161.02438	15.4
161.04544	15.9
179.03543	10.6
191.05635	5.6
230.80577	5.3
285.03967	7.9
301.16522	10.1
303.07889	19.9
433.15329	7.2
433.20804	94.1
434.21280	11.4
469.18539	100.0
469.24738	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	469.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36834	2.2
64.24834	1.9
69.76764	2.7
69.77108	7.0
80.43407	2.5
99.92571	18.3
100.92716	2.0
100.93368	53.6
112.44013	2.4
114.94919	5.3
115.83360	2.1
115.92084	100.0
116.92091	5.1
116.92876	4.5
130.10956	2.0
142.93327	4.6
142.94432	73.3
143.94438	3.2
152.02248	2.0
196.97467	2.2
238.43378	2.0
281.24857	16.6
316.32825	2.6
390.82196	2.4
469.33310	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
60.02637	2.9
61.98841	6.7
70.54755	2.7
71.01394	62.8
71.43697	2.7
72.99327	3.7
73.02956	12.3
83.01396	4.2
85.02966	11.4
87.00896	7.8
89.02460	92.5
92.12075	2.7
97.03011	3.4
101.02467	50.6
102.44915	2.4
105.03514	4.7
109.02937	3.8
112.98783	13.2
113.02463	9.9
119.03525	6.7
120.35512	2.6
121.02967	22.1
122.03301	9.8
127.19852	2.8
131.03528	36.9
133.02969	21.1
135.04581	18.9
137.02463	4.9
137.66238	3.0
138.56969	2.4
148.04070	7.1
149.04568	94.8
151.04030	3.2
161.02406	6.1
161.04570	2.9
177.01979	7.4
179.03484	19.7
191.05638	17.7
195.06682	3.9
234.05406	7.9
275.05957	3.3
307.08212	21.5
307.13919	3.2
341.08844	4.2
349.04526	3.9
409.06396	15.3
409.17154	19.9
465.18900	3.2
469.13309	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	469.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.5
57.03441	4.0
59.01385	83.0
60.18240	1.6
61.98824	4.7
63.13980	1.5
65.35378	1.9
67.95087	1.6
69.03447	2.6
70.29171	3.9
71.01389	100.0
73.02953	18.8
75.00864	2.4
81.03458	3.5
83.01386	4.5
85.02953	22.2
86.00117	3.2
87.00887	9.4
87.04500	2.0
89.02450	72.8
97.02962	6.8
99.00880	8.9
99.04515	2.0
101.02456	42.0
111.00891	3.8
113.02444	20.6
115.04008	4.4
115.07661	63.4
116.07984	2.2
119.03509	5.1
123.04482	1.7
125.02461	17.4
127.03931	1.7
129.01981	3.1
131.03529	18.8
132.04562	19.2
133.02959	3.5
135.04547	3.7
143.03474	3.4
143.07153	2.8
143.84784	1.7
147.03250	3.8
148.03606	2.1
149.04564	31.4
160.58600	2.1
161.02538	3.3
161.04585	16.1
161.08134	8.0
179.03452	3.2
187.09712	8.8
191.05617	10.5
201.87549	1.7
205.07190	11.3
215.09189	3.3
233.06706	6.2
277.12851	16.2
286.06787	1.7
293.08801	33.5
376.69324	2.0
387.92480	2.1
409.17184	65.2
410.17276	3.4
437.16815	10.2
460.75958	1.9
469.19183	16.2
470.19571	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	469.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
57.03448	2.7
59.01386	100.0
61.98842	9.3
69.03464	4.3
71.01390	97.9
72.99321	2.1
73.02952	19.0
75.00893	2.6
78.95905	1.7
80.91694	3.2
81.03459	1.6
83.01392	5.6
85.02960	18.8
86.00104	2.8
87.00877	8.8
89.02456	78.6
90.02746	1.4
93.03508	1.5
95.01399	2.0
97.02968	7.7
98.80377	1.3
99.00883	6.5
101.02456	40.1
108.70522	1.5
111.00900	5.2
113.02460	19.5
115.04005	3.0
115.07666	85.0
116.08014	1.2
119.03532	5.1
123.04538	2.0
125.02456	18.8
131.03529	23.9
132.04553	15.1
133.02957	2.9
135.04514	2.7
136.07738	1.5
141.00424	1.5
143.03490	1.9
143.07156	3.4
147.03230	3.8
148.03653	2.5
149.04573	38.3
159.02988	1.5
161.02567	3.1
161.04597	9.1
161.08223	6.2
173.04524	2.1
174.57532	1.2
176.01163	3.7
177.02007	2.1
187.09740	6.6
191.01956	1.7
191.05605	10.5
192.05991	2.2
205.07207	3.7
206.04549	1.7
207.04811	2.5
215.09322	2.4
233.06708	6.1
261.07458	2.2
277.13071	7.3
293.08807	46.5
294.09302	1.7
307.17999	1.8
409.17224	39.6
410.17554	1.9
411.10922	2.0
411.76688	1.4
437.16599	5.4
469.18683	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	469.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	8.7
59.01384	100.0
61.98832	33.3
69.15667	50.9
71.01376	60.1
73.02950	11.9
82.95392	7.5
85.02948	20.0
85.23984	7.0
87.00890	15.5
89.02449	83.8
90.74783	7.6
93.03410	12.8
101.02441	42.7
113.02476	25.5
117.03494	8.4
119.03504	27.7
121.91763	6.9
125.02368	9.2
133.02979	20.2
134.03748	53.3
135.04550	15.9
149.05977	12.3
160.01688	10.5
161.02449	24.6
161.04596	9.2
178.02794	12.3
179.03445	10.9
179.05585	16.5
190.05032	11.8
191.05634	9.4
193.05066	71.3
245.02271	8.7
289.07022	11.4
307.07431	13.4
448.10333	8.8
469.12869	10.7
469.22137	49.3
470.22269	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	469.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59425	2.5
59.01335	2.0
60.05968	2.2
61.98820	2.0
70.02560	4.9
70.02899	3.4
108.73347	2.2
185.11858	5.7
221.30235	2.1
271.19174	100.0
272.19412	6.1
426.00674	2.6
469.22223	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	469.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27764	9.5
51.26300	11.6
59.01391	100.0
59.98308	10.3
61.58573	9.3
61.98827	43.0
65.70551	10.6
67.01896	9.2
69.03455	8.6
71.01388	54.8
73.02972	18.7
83.05045	18.3
85.02995	17.9
86.69342	10.7
87.00884	11.7
89.02476	41.3
93.03446	49.2
96.96045	83.9
99.04582	11.6
101.02474	42.5
108.02177	18.1
109.02989	10.2
110.97578	13.2
113.02464	20.3
116.92929	10.4
119.03526	18.8
131.03711	16.4
133.02994	24.7
135.04546	30.1
137.02458	33.3
149.02419	11.4
152.01140	14.4
161.02477	45.8
161.04585	17.0
169.37068	9.5
173.04585	26.1
179.03491	23.6
183.29292	9.7
236.85435	12.0
268.03754	19.1
306.06403	12.2
307.07175	14.6
377.08484	13.0
406.05096	9.6
409.20804	23.8
469.11807	60.9
469.33746	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	469.3327
Annotation	Ganoderone C
Peak:m/z	Relative Intensity
56.80153	1.0
58.11791	1.0
58.42209	1.1
63.28801	0.9
63.57178	1.2
63.64363	0.9
71.04995	1.2
73.01212	1.0
78.95940	1.1
92.11031	1.2
92.99533	1.0
93.01997	1.1
94.52016	1.1
105.31929	1.0
117.10640	1.1
119.18283	0.9
134.60875	1.1
148.95747	1.0
173.78842	1.0
240.20427	1.3
322.33224	1.3
437.45700	1.1
439.32202	75.5
440.32608	7.8
450.83185	1.1
469.33267	100.0
470.33609	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	469.3325
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.09234	0.3
50.58843	0.3
57.03448	0.5
62.31258	0.3
63.01543	0.3
96.35532	0.3
209.55261	0.4
306.20956	0.3
377.28448	0.4
379.30026	1.3
395.29605	5.4
396.30295	0.6
407.33334	1.9
423.32730	8.8
424.32870	0.9
425.34308	3.1
426.34497	0.4
469.33258	100.0
470.33612	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	469.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65742	0.4
55.59428	0.5
70.00324	0.9
70.00656	0.8
70.51174	0.5
71.08620	0.5
99.87918	0.5
105.06381	0.4
108.56682	0.6
111.82706	0.6
137.96832	0.5
407.33334	3.2
423.32733	0.7
439.32217	0.9
451.32034	0.7
469.33255	100.0
470.33588	13.5
471.04001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3326
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
56.19350	0.4
57.03455	0.7
61.31492	0.5
69.08620	2.8
77.57162	0.4
77.72005	0.4
87.48316	0.4
97.46603	0.5
109.85076	0.6
123.32097	0.4
144.19202	0.5
190.20277	0.4
191.24184	0.4
201.27528	0.4
395.29541	1.3
423.32578	6.9
424.33002	0.9
425.34125	3.8
469.33243	100.0
470.33621	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	470.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48404	0.2
57.32858	0.2
61.98835	100.0
69.12901	1.6
71.45885	0.2
74.65852	0.2
104.87890	0.2
105.62653	0.2
109.64528	0.2
151.89601	0.2
186.72827	0.3
260.30182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
61.98831	100.0
65.77978	0.3
69.10738	1.3
69.11158	0.9
89.02446	0.4
94.10580	0.3
109.02964	1.0
113.02437	0.5
119.19271	0.3
123.04539	0.5
135.04494	1.6
136.04913	0.5
161.02490	0.6
176.01277	0.5
177.01828	1.5
178.01628	0.4
179.03564	0.8
180.03905	0.8
189.02014	0.8
190.02751	0.5
207.38219	0.3
210.98099	0.4
217.01480	0.8
219.03081	0.5
271.05991	0.4
308.15408	0.4
309.17468	0.4
341.06625	3.7
401.57303	0.3
435.10748	1.9
485.40765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04108	1.1
57.03454	1.1
59.01383	24.0
61.98838	9.6
71.01395	12.9
72.01752	1.7
73.02943	3.2
80.07019	1.2
83.01385	1.5
85.02957	3.3
87.00890	2.2
89.02457	7.2
97.02959	1.5
99.00890	2.1
99.04501	1.5
101.02451	4.5
109.02937	1.4
113.02487	2.9
113.03580	1.9
115.04002	4.0
115.07636	6.4
116.08013	1.5
130.08763	1.8
131.03532	1.2
132.04573	100.0
133.03003	4.1
133.04936	2.7
135.04532	3.6
139.04036	1.2
149.04565	2.2
150.05681	1.5
161.02481	3.1
161.04718	1.5
179.03578	3.0
191.05595	1.7
278.13306	1.6
293.08951	1.6
294.09152	2.1
304.97025	1.2
306.40442	1.1
306.48438	1.3
315.03506	1.2
388.58783	1.3
410.17459	5.0
452.61005	1.5
454.23315	1.8
470.19781	1.6
471.25888	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	471.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66265	1.2
59.01377	7.6
61.98838	31.3
65.00317	1.3
69.33833	7.0
71.01392	4.8
83.01384	2.3
85.02966	1.6
89.02462	2.0
93.03476	9.6
101.02445	2.5
102.98598	6.0
104.29819	1.3
105.03437	1.4
107.01393	2.4
108.02183	4.0
109.02960	16.5
119.05037	6.4
123.04527	14.0
125.02486	2.1
131.38730	1.3
133.02943	3.9
135.04482	2.4
137.02466	5.0
145.02945	6.4
147.04483	2.8
151.00391	7.0
151.04007	5.0
152.01192	2.1
153.01927	2.5
154.51263	1.2
161.02472	4.7
161.06049	2.1
163.04088	2.3
165.01941	1.4
167.03525	1.6
177.01958	23.2
179.03575	1.8
185.06062	2.0
187.04004	3.4
188.04845	2.8
189.01967	21.5
190.02705	7.7
191.03514	5.6
203.07164	2.1
216.00694	6.7
217.01472	18.9
218.02187	3.8
219.03052	8.4
221.06447	2.0
229.05113	3.3
229.08861	1.7
231.02969	6.3
249.14897	1.6
255.06567	2.3
269.04669	1.4
271.06094	19.6
272.06281	1.6
281.04425	6.5
282.05127	1.6
283.05280	4.9
289.07220	3.3
297.07617	5.9
311.05664	2.5
341.06668	100.0
342.06967	5.9
387.39243	1.5
433.11398	3.8
435.10880	40.8
436.11169	5.0
471.13062	2.7
471.18918	2.1
471.26398	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12569	2.5
59.01389	32.5
61.98835	80.4
69.19608	15.7
71.01389	10.8
73.02963	3.4
82.95427	13.5
85.02985	3.1
87.00874	15.2
89.02444	6.7
93.03453	5.6
96.15621	2.7
96.60103	3.3
96.96052	3.6
101.02450	9.0
108.02167	5.0
109.02978	14.5
113.02464	4.2
120.99663	68.3
121.00484	5.4
121.02959	5.9
123.04544	11.9
133.02946	8.9
135.04530	10.1
137.02466	4.2
145.02954	4.5
151.03983	3.8
159.04472	4.3
161.02470	19.0
165.00220	3.2
167.03523	6.7
172.05316	3.3
177.01932	18.3
179.03430	4.7
183.53859	3.3
187.07695	7.4
189.01967	29.0
190.02744	8.1
191.03534	4.5
203.03491	3.6
216.00629	7.0
217.01462	18.6
219.03024	6.6
220.05602	7.7
221.04439	5.4
221.06447	55.1
226.14589	3.2
231.03021	6.6
249.14973	7.5
255.02994	11.7
269.04755	3.5
273.07703	4.7
283.02618	6.8
284.03323	3.3
285.04095	16.3
289.07288	4.9
309.08127	10.3
309.17181	12.4
341.06717	57.6
342.06818	3.9
377.08777	8.3
377.58823	3.2
383.11893	7.0
435.10873	42.1
436.11206	7.1
471.13312	100.0
472.13593	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	471.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94019	1.3
54.86159	1.3
55.32294	1.3
59.01386	27.2
61.98827	6.0
71.01393	10.1
73.02938	2.2
74.02486	3.0
85.02943	5.8
87.00879	2.6
89.02463	8.2
93.03472	89.4
94.03809	2.2
96.00953	1.9
96.95985	2.2
98.02487	2.1
101.02438	5.7
109.02949	3.4
112.98820	2.4
113.02455	3.5
113.06103	2.6
119.03455	1.9
119.05070	1.8
121.02948	6.5
125.02444	1.6
127.05117	2.8
128.03546	2.3
129.10345	2.4
130.08739	6.6
133.02974	8.3
134.03761	2.2
135.04561	7.5
137.02467	100.0
138.02802	2.9
139.04030	3.7
145.06197	2.0
147.04480	2.4
148.04094	2.5
151.04039	9.4
160.04031	10.5
161.02466	15.4
161.04401	4.3
162.95372	2.7
163.03960	1.9
164.71025	1.4
179.03548	6.9
191.05710	1.5
203.03363	2.0
210.07695	1.8
213.65590	1.5
233.04446	2.0
238.47702	1.5
239.07085	1.9
248.07262	2.9
250.08763	1.4
255.03046	3.6
281.06766	1.6
283.02521	2.0
285.04022	6.5
307.10229	1.4
323.07675	1.7
351.67908	1.4
377.08765	3.1
436.24475	7.9
453.27008	2.0
463.35248	1.4
471.11523	3.0
471.27472	10.1
472.12900	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	471.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76656	0.6
77.65518	0.5
83.01395	1.4
99.04548	0.8
107.05070	0.8
118.04256	11.4
126.66841	0.7
134.03749	2.5
137.02452	0.6
145.02953	0.7
155.08731	0.7
161.02460	1.1
162.03262	10.7
171.08179	1.6
187.07558	0.7
189.01912	2.8
190.02727	38.6
191.03088	1.7
199.07713	3.1
203.03603	0.8
204.04250	1.0
222.01732	10.9
225.05504	0.7
229.05110	1.7
230.05827	2.4
231.30463	0.6
242.05890	0.8
243.06638	31.7
244.07062	3.2
253.12460	0.8
254.05576	0.6
256.07446	1.2
257.08255	0.6
267.00854	0.7
267.06769	0.9
269.08170	1.3
281.08398	1.0
283.09818	3.0
295.09909	0.6
298.12146	14.4
299.12512	0.8
313.14462	8.9
339.12448	3.5
342.11005	1.9
357.13464	100.0
358.13742	7.9
471.33398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
61.98819	1.2
64.82603	0.4
71.40525	0.5
89.53206	0.4
90.95039	0.5
108.86972	0.4
115.92059	0.6
137.77977	0.4
142.87599	0.5
143.88979	0.6
144.87210	0.6
161.22812	0.4
243.06609	3.2
244.07114	0.7
301.81702	0.4
312.00378	0.4
312.13577	1.7
327.16098	4.4
328.16531	0.5
397.31247	3.4
399.32700	0.5
407.33441	1.0
423.32700	3.4
425.34247	3.9
427.36081	2.4
453.33505	0.8
471.34830	100.0
472.28613	0.6
472.35239	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	471.3482
Annotation	Odoratone
Peak:m/z	Relative Intensity
68.13931	0.2
69.73994	0.8
98.22607	0.3
137.09578	0.3
160.84265	0.3
407.33206	3.5
408.33725	0.5
471.34833	100.0
472.35172	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	2alpha,3beta-Dihydroxyolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
56.86496	0.4
58.21918	0.4
60.61785	0.4
69.71938	1.6
83.05029	0.6
85.81722	0.5
97.84698	0.4
109.49873	0.5
123.08175	1.7
144.57913	0.5
176.46724	0.4
180.56758	0.4
186.57986	0.5
212.81772	0.4
248.47705	0.4
337.25342	0.5
377.28525	5.3
378.28879	0.8
393.31653	29.7
394.31989	3.0
409.34756	42.2
410.35065	4.9
427.35788	10.6
428.36264	1.0
453.33777	4.8
471.34793	100.0
472.35187	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	471.3485
Annotation	Odoratone
Peak:m/z	Relative Intensity
69.39799	20.8
77.04729	5.1
105.12268	3.5
193.07140	4.2
193.11398	3.7
198.32704	4.9
222.36786	4.1
393.31659	13.9
409.34833	12.0
432.53183	5.6
471.34845	100.0
472.35223	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	471.3483
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.00501	0.2
61.98827	0.3
66.70044	0.2
69.38181	0.4
69.38571	0.3
69.52833	0.2
72.69730	0.2
96.95990	0.3
98.22665	0.3
117.32930	0.2
129.33849	0.2
200.90067	0.2
226.14798	0.2
365.36472	0.2
395.29300	0.3
397.34775	0.2
423.32599	0.5
425.34283	12.0
426.34760	1.4
453.33627	0.3
471.34805	100.0
472.35159	11.9
478.66843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	2alpha,3beta-Dihydroxyolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
59.58751	0.8
61.85147	0.8
70.39788	0.9
71.24797	1.3
76.92768	0.8
79.01797	0.9
92.62325	0.8
94.11098	0.9
109.96503	0.9
123.08150	2.2
136.01067	1.0
377.28601	1.2
393.31674	25.6
394.31946	4.2
409.34808	19.1
410.34900	2.2
427.35876	7.8
453.33627	1.2
471.34793	100.0
472.35141	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	471.3485
Annotation	Odoratone
Peak:m/z	Relative Intensity
64.90318	0.6
71.25636	0.8
75.02985	0.6
77.14597	0.6
95.43713	0.6
111.78969	0.6
118.13880	0.5
165.71300	0.6
198.71231	0.6
471.34842	100.0
472.35132	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	471.3484
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.18240	0.4
61.98840	0.5
69.14939	0.4
70.55731	0.7
73.51886	0.5
75.21407	0.5
85.13617	0.4
110.30380	0.4
116.28078	0.4
130.12534	0.4
143.84023	0.5
164.73122	0.5
381.31573	1.4
383.29816	0.6
411.32648	1.0
411.46414	0.4
425.34268	3.9
471.34830	100.0
472.35172	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	471.3482
Annotation	3alpha-Hydroxy-2-oxofriedelane-20alpha-carboxylic acid
Peak:m/z	Relative Intensity
66.64832	0.3
69.82065	0.8
78.35744	0.3
96.96019	0.4
99.92609	0.3
301.15094	0.4
407.33148	1.2
425.34552	1.5
427.35834	24.4
428.36295	2.3
453.33850	2.4
471.34818	100.0
472.35168	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	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
61.21889	0.5
69.45139	0.9
69.45544	1.9
70.36317	0.4
88.20017	0.5
94.92537	0.7
97.96266	0.4
98.22623	0.9
103.19648	0.4
127.97184	0.4
196.63849	0.5
200.47462	0.5
202.97887	0.5
349.88351	0.5
397.30893	1.0
414.74091	0.5
423.32672	3.8
424.32672	0.6
425.34232	0.7
427.35843	2.2
435.03906	0.5
442.03815	0.5
471.34845	100.0
472.35208	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	471.3483
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01362	1.3
68.31855	0.9
83.14475	0.9
86.20988	0.8
89.78425	0.9
90.64539	0.9
100.58981	0.9
127.06744	0.9
128.60719	0.9
139.45374	1.0
163.40387	0.9
163.88470	0.8
177.69543	0.9
471.34821	100.0
472.35187	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	472.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.4
61.98835	100.0
69.84480	2.7
71.01385	3.6
73.02944	1.4
85.02980	1.1
87.00909	1.2
89.02448	1.4
91.84988	1.0
101.02442	1.2
102.05602	1.2
113.02441	1.7
117.03475	5.6
118.03748	1.2
119.05049	2.6
130.08818	1.0
133.02998	1.7
135.04507	3.3
137.02420	1.5
145.02956	16.5
146.03297	4.0
151.00356	1.1
153.09122	1.2
161.02419	5.7
162.02904	1.4
163.04016	2.5
177.05650	0.9
179.03519	2.7
197.08160	1.1
227.03441	2.0
255.03125	4.2
256.03500	1.6
265.07324	1.5
268.03821	1.7
269.04324	1.0
271.02359	4.4
272.02780	1.6
281.06531	1.3
283.02530	2.7
284.03040	2.6
285.03891	4.0
286.04337	2.5
299.01990	4.3
300.02582	4.4
301.03506	6.4
302.03912	2.7
377.08670	10.3
377.58896	6.9
378.08878	2.6
385.67609	0.9
412.22128	1.2
432.59814	1.1
450.61798	1.0
454.85495	1.1
471.62326	3.4
472.12909	2.6
473.10495	1.8
489.10190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0729
Annotation	Chicoric acid
Peak:m/z	Relative Intensity
54.59082	0.7
59.01390	7.3
69.03491	1.0
70.02987	2.9
71.01398	2.2
71.02523	1.1
71.13474	0.7
71.40978	1.0
72.99319	5.7
78.95903	1.5
84.31970	0.8
85.02940	1.1
87.00359	0.9
87.00884	13.9
89.02464	2.6
89.67336	0.7
95.02540	2.1
96.97000	1.0
96.98476	0.8
100.30727	0.8
103.00373	3.9
105.01941	3.1
107.05040	0.8
109.02967	1.2
111.02022	1.1
112.98811	5.6
113.02470	2.2
113.03589	10.0
114.01975	9.8
130.99887	1.7
131.03539	3.9
131.04623	29.8
133.02986	1.7
134.03769	2.5
135.04538	64.2
136.04893	2.1
137.02396	1.6
139.00391	0.9
149.00931	100.0
150.01300	1.9
161.02443	4.1
163.03989	1.8
166.73714	0.8
179.03514	66.1
180.03870	2.9
191.03566	1.8
219.03015	5.6
226.57112	0.8
231.02832	0.9
275.46960	0.8
293.03107	6.5
311.04126	10.3
341.10974	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09510	0.5
59.01382	6.0
69.84467	1.8
71.01371	0.9
72.99315	5.4
83.92602	0.5
87.00886	18.6
98.22607	0.7
103.00373	3.0
103.02581	0.6
105.01922	1.0
105.03499	0.6
107.05037	1.2
109.02972	1.7
112.98818	5.1
113.40524	0.5
116.07430	0.5
126.32945	0.5
130.99887	1.8
133.03000	1.3
134.03763	9.8
135.04541	43.5
136.04829	0.9
137.02455	1.1
139.00349	1.2
149.00929	100.0
150.01262	1.8
151.03996	0.8
160.01683	1.0
161.02449	4.0
163.04001	2.0
175.04018	1.6
177.05566	1.1
179.03516	46.4
180.03835	1.8
191.03564	1.5
193.05083	10.3
205.05325	0.7
219.02997	5.0
231.03064	0.6
293.03070	5.0
294.03195	0.7
311.04160	10.1
312.04440	0.7
354.20593	0.6
456.36267	0.7
473.16718	1.2
493.49875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0732
Annotation	Chicoric acid
Peak:m/z	Relative Intensity
54.59088	0.8
59.01386	8.0
69.46837	2.8
71.01386	2.0
72.99323	5.8
87.00886	15.3
98.21905	1.1
103.00388	3.9
105.01944	1.8
107.05032	1.6
109.02962	2.3
112.98808	5.2
119.04990	1.0
130.99881	1.3
133.02986	3.1
134.03767	3.0
135.04546	67.1
136.04890	1.8
137.02493	1.6
145.03004	2.6
147.04532	4.4
149.00935	100.0
150.01277	2.7
159.69519	0.9
161.02490	6.9
163.04057	2.1
179.03525	70.7
180.03903	1.7
190.19063	1.0
191.03529	1.9
219.03049	5.8
293.03046	7.3
301.03595	4.5
311.04160	11.1
385.08545	3.6
385.58865	1.1
389.37366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.073
Annotation	Chicoric acid
Peak:m/z	Relative Intensity
57.03442	0.6
59.01388	8.9
61.98864	0.6
71.01376	1.9
72.99320	5.3
73.02946	2.4
75.00904	0.7
84.95080	0.6
84.99306	0.6
87.00888	16.6
88.26733	0.5
88.98829	0.9
89.02457	0.8
96.99328	0.7
97.02935	0.6
97.06612	2.9
98.21891	1.4
101.02433	0.8
103.00359	3.3
105.01957	1.5
107.05028	0.8
109.02956	1.8
112.98833	6.4
113.02433	0.7
118.98131	1.2
119.03457	0.5
120.97679	0.6
123.04518	0.8
125.02453	1.1
127.05127	0.7
130.99893	1.8
133.02986	2.1
134.03773	1.4
135.04541	36.1
136.04875	1.1
137.02472	1.5
139.00423	1.4
141.05606	1.6
142.60164	0.5
145.02945	0.7
147.04491	0.6
149.00934	100.0
150.01277	2.1
153.09274	0.9
161.02455	3.1
163.04063	2.6
164.45552	0.5
177.05627	0.8
179.03516	41.6
180.03853	0.8
187.03995	0.6
189.09238	0.7
190.02791	0.6
191.03555	1.6
205.05118	0.9
215.09233	2.8
219.02963	4.5
226.35519	0.5
231.03036	1.0
245.08257	0.6
257.10385	0.9
287.11426	0.6
289.07245	1.5
293.03049	5.3
311.04132	9.9
315.07117	0.6
317.12494	1.1
331.74847	0.5
361.23993	0.5
377.14545	1.0
413.21915	1.9
422.18143	0.5
423.83203	0.5
473.28854	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98026	1.1
57.03440	3.7
59.01384	32.0
60.30122	1.3
69.92796	3.6
71.01384	33.5
71.70972	1.0
72.01711	1.1
72.99328	1.5
73.02952	1.3
78.95919	3.6
82.95420	3.5
83.01406	1.9
85.02959	24.7
87.00883	5.2
89.02450	24.1
95.01407	15.3
95.25079	1.1
96.96978	5.2
98.99406	2.6
101.02431	5.5
109.02983	1.3
112.98842	1.3
113.02460	100.0
114.02788	1.8
119.03528	6.8
125.02484	2.0
129.04076	1.4
130.08742	1.3
131.03525	2.8
131.04640	2.0
131.37158	1.1
134.03741	1.1
135.04543	21.6
141.00458	6.0
143.03535	5.4
149.00925	29.3
149.04558	1.8
153.00407	1.5
153.02060	1.0
155.02029	4.6
157.03575	1.3
161.04562	45.3
171.05197	1.4
179.02049	2.2
179.03522	21.9
179.05620	17.0
180.03851	1.6
197.03046	15.8
201.02565	2.5
201.25665	1.1
217.00249	8.3
219.03035	2.7
229.01953	1.3
238.06812	1.9
250.98601	1.2
254.04688	3.7
257.05252	5.3
271.07187	1.4
293.03336	2.0
311.04144	2.9
341.10797	1.4
357.06882	2.5
374.63303	1.2
396.05908	1.4
413.08331	2.8
455.08908	1.8
473.10828	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	473.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43563	0.2
55.21184	0.2
59.01384	0.2
63.02401	1.0
65.00307	0.7
71.80765	0.1
74.05243	0.1
83.01389	1.0
83.97403	0.2
95.78797	0.2
107.01398	2.4
117.03465	1.8
121.02943	0.2
122.00069	0.2
130.04311	0.2
142.68388	0.1
148.01683	0.8
149.02455	1.4
149.99545	0.7
151.00391	3.9
155.04985	0.2
158.03725	0.2
159.04539	0.2
167.05031	0.2
168.05807	0.2
169.01424	0.2
171.04483	1.0
172.05333	0.9
180.05783	0.2
183.04533	0.5
184.05307	0.7
195.04501	0.5
196.05304	0.8
198.03307	0.2
199.04024	0.3
200.04829	1.0
201.05617	0.2
211.04054	2.2
212.04765	1.0
223.04013	0.4
224.04680	0.2
225.02078	0.2
225.05585	0.3
229.80200	0.2
239.03484	4.1
240.04297	5.1
241.04564	0.4
267.02982	2.4
268.03781	100.0
269.04459	21.0
270.04858	1.2
281.04623	0.4
283.05865	0.4
290.26065	0.2
311.05496	0.6
314.44156	0.1
341.06714	0.2
413.08813	0.3
469.12347	0.2
470.37051	0.2
473.10913	69.3
474.11279	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46273	0.4
51.13699	0.4
59.01382	1.9
61.98827	1.6
65.00320	0.6
69.90261	1.4
74.25463	0.5
83.01416	0.5
93.00576	0.4
93.03465	1.3
98.21914	0.8
101.16242	0.4
107.01417	2.3
109.02934	0.7
125.02453	0.5
132.02168	0.9
135.00871	1.4
135.04527	0.8
143.05058	0.7
151.00401	1.1
154.04301	0.6
157.06644	0.6
159.04497	1.7
161.02542	0.7
163.00389	2.4
168.05711	0.5
169.06647	1.0
170.08398	0.5
171.04536	0.9
179.03436	0.5
182.03792	0.7
183.04517	1.3
185.06033	2.2
187.03925	2.9
190.25304	0.5
195.04468	0.9
197.06145	1.0
199.03976	0.7
201.05608	0.7
211.04013	3.8
213.05566	1.0
214.64697	0.5
227.03525	57.4
228.03856	2.8
229.05028	9.7
239.03514	2.3
241.05034	1.8
243.03282	0.5
255.03015	83.2
256.03592	9.5
257.04572	5.9
267.03046	0.9
284.03299	70.4
285.04068	100.0
286.04398	5.5
327.05115	0.9
473.10931	63.6
474.11218	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19639	0.7
59.01162	0.7
59.01387	7.2
61.98823	1.3
70.72399	1.4
71.01389	2.3
72.99310	1.9
75.00874	3.6
77.42860	0.7
78.95905	0.8
82.95428	2.2
85.02923	1.4
85.88818	0.8
87.00890	8.1
89.02448	1.1
91.36630	0.8
94.40404	0.8
96.96026	1.8
97.02963	2.4
99.04527	1.7
101.02467	1.2
103.00350	1.0
105.01954	0.9
107.05080	1.4
109.02958	19.0
112.98809	2.3
117.01511	0.8
121.02957	1.7
123.04562	1.2
131.03476	0.9
132.04526	1.3
133.02963	4.4
133.06683	0.9
134.03769	3.1
135.04541	100.0
136.04889	1.9
139.04007	2.0
143.05034	1.1
146.03723	0.8
147.04515	1.6
148.05342	1.1
149.00937	42.3
149.04878	1.6
149.06088	26.6
151.03952	1.5
151.07674	1.7
156.54173	0.9
159.04532	1.8
161.02489	8.6
161.06059	4.6
162.03183	1.2
162.83881	1.2
163.04021	1.8
171.04463	1.1
173.06081	4.8
174.03236	1.7
175.04100	4.3
177.05577	7.8
179.03511	36.4
180.03859	1.6
183.72629	0.7
189.05573	13.2
191.03522	2.2
191.05589	1.5
191.07083	3.6
193.05104	1.4
195.06662	1.9
201.05550	1.3
203.03403	1.2
203.07071	1.8
207.06641	8.9
219.02879	2.2
219.06638	3.1
221.04572	16.3
221.08043	1.1
222.05045	0.9
231.06625	11.1
235.06151	13.3
239.05635	8.2
249.07675	5.7
253.07182	2.0
281.06738	1.1
285.05777	0.8
285.08884	0.8
293.02875	2.3
293.06497	1.2
297.09650	2.6
311.04031	3.9
311.07703	8.9
311.11417	3.1
369.11929	1.1
383.09821	3.5
393.11612	1.2
396.34595	0.9
397.11319	1.8
401.10855	7.0
411.13031	2.1
413.11133	2.4
415.12360	3.1
443.11835	4.1
455.12048	1.6
473.12927	9.4
488.47397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21670	0.8
55.01890	0.9
59.01385	19.8
60.85213	0.7
61.98839	2.0
62.97571	0.9
63.49129	0.8
64.38440	0.8
66.99390	0.9
69.03462	1.5
70.37817	1.0
70.95539	1.3
71.01389	16.1
71.91233	0.7
73.02953	2.6
74.27642	0.8
81.03467	1.0
83.01398	3.4
85.02966	2.9
86.99612	1.1
87.00887	1.2
88.04041	1.6
89.02450	18.5
89.02956	1.5
93.03464	1.0
95.50807	0.8
97.02978	3.6
99.00895	4.0
101.02464	3.9
107.05048	1.4
108.02230	1.2
109.02959	41.6
111.00890	24.4
111.01683	1.4
113.02465	3.0
115.00418	1.6
115.04031	2.1
121.02996	2.7
123.04564	3.2
125.02460	8.2
127.05167	1.1
128.03555	1.5
129.10365	1.4
131.03523	1.6
134.03786	1.7
135.04539	30.4
136.04968	1.2
137.02419	1.3
139.04037	2.2
143.03545	1.3
146.03760	15.8
147.04539	5.7
149.02512	2.1
149.04582	3.2
149.06097	6.9
151.04016	1.0
154.62920	0.8
159.04524	2.4
161.02470	3.9
161.04639	1.2
161.05965	4.2
162.03252	4.8
163.04044	3.9
164.04785	7.5
165.01962	2.3
165.05579	5.5
167.03546	1.2
174.03130	0.9
175.04007	4.4
177.05591	34.1
177.76889	0.8
177.78679	0.8
178.02605	0.9
178.06000	1.1
179.03554	7.6
179.07144	10.8
182.37624	0.9
189.05592	3.4
191.03543	3.4
191.05573	1.6
193.05067	0.9
193.13477	1.4
201.05573	1.2
203.03526	3.1
208.36018	0.9
219.03059	6.9
219.06624	8.0
221.04573	100.0
222.04839	4.3
223.10825	1.0
233.04539	1.6
233.06625	8.7
233.55534	0.8
240.53532	0.9
245.04642	1.3
263.05618	3.8
267.08792	2.0
293.06497	2.8
293.08893	3.6
311.07742	94.5
312.08075	5.6
321.19220	1.1
341.09198	1.0
353.67792	0.9
357.21536	2.4
358.20114	1.0
383.09909	5.7
455.11816	1.7
455.21701	1.6
473.13000	26.5
473.22449	6.2
474.13507	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.2
59.01385	10.0
61.84640	0.4
65.16337	0.4
71.01381	2.5
71.40901	0.5
72.99324	1.6
73.02937	0.8
75.00877	14.9
81.03456	2.5
83.01392	2.2
87.00891	0.8
89.02451	1.1
91.27248	0.5
92.67063	0.6
95.05060	0.5
99.00903	0.6
99.04503	0.6
101.02447	1.6
105.01948	0.6
107.01378	0.5
108.02161	2.5
109.02966	3.2
113.02448	1.0
121.02935	0.5
123.00859	0.6
123.04534	19.9
124.01659	1.3
125.02448	6.4
128.03590	0.6
134.03760	0.6
135.04500	2.5
137.02470	3.3
139.04074	0.6
149.00929	3.0
149.02284	0.9
151.00365	3.7
151.04027	0.7
152.01167	21.6
153.01958	2.3
161.02432	1.1
161.04559	1.7
163.00264	0.5
163.04037	0.8
165.01932	2.0
166.02731	1.1
167.03516	100.0
168.03822	3.3
179.03499	2.6
180.04401	1.0
191.03542	0.7
193.04994	0.7
209.04597	1.4
214.00839	0.4
215.09335	0.5
235.71040	0.5
245.08261	0.6
275.09183	0.9
277.98032	0.4
289.07135	1.4
293.08716	0.5
311.11292	0.7
329.08795	26.6
330.09149	1.8
357.08487	0.6
357.35257	0.4
371.10071	2.9
411.13184	0.9
413.21716	0.9
473.12509	3.2
473.16998	4.6
473.28204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.2
61.98846	0.6
71.01386	1.1
72.39455	0.3
73.02956	0.3
75.00877	0.4
85.02954	0.5
85.32421	0.3
87.00923	0.6
89.02425	0.4
93.74152	0.3
99.75604	0.3
101.02457	0.8
105.01943	0.4
113.02459	0.6
115.10081	0.3
116.52097	0.3
120.99672	100.0
122.00015	1.2
125.02431	0.3
135.04558	0.9
143.30161	0.3
149.00935	1.0
161.04701	0.7
174.06892	0.9
179.03506	0.7
189.09259	0.9
197.80713	0.4
233.15453	0.4
254.61809	0.4
343.01233	0.4
413.21823	0.4
454.38190	0.4
473.14847	3.4
474.15298	0.6
474.27039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.7
61.98827	0.9
63.43905	0.8
65.06782	0.9
65.64209	0.8
69.38873	3.1
71.01381	3.2
71.81643	0.7
73.02962	4.2
74.02460	1.8
74.99095	1.0
85.02992	1.5
87.00877	7.6
89.02456	4.4
93.03483	1.0
101.02436	2.4
102.98634	0.9
107.05030	2.7
113.02442	1.8
119.03472	1.1
120.99665	41.8
121.02997	1.7
122.03735	1.3
125.02460	1.4
133.02980	1.7
134.03777	4.6
135.04547	5.8
135.08162	2.4
137.02426	2.0
139.03989	1.2
145.02995	1.0
146.03767	3.0
149.00905	3.0
153.09222	82.0
154.09628	2.1
159.04533	3.0
161.02409	4.5
161.06049	1.1
171.08133	2.6
173.06133	1.6
174.06863	52.0
175.07323	1.9
178.02754	1.7
179.03531	4.5
189.01968	1.3
189.09218	100.0
190.09566	3.8
197.08199	62.6
198.08546	2.3
222.07126	1.5
223.07962	18.0
226.05106	0.8
229.08676	2.3
236.22191	0.9
273.07684	7.9
274.08093	1.1
275.08014	0.9
281.53952	0.9
285.03928	1.0
311.09549	4.5
312.08777	4.9
312.75842	0.9
363.04816	1.4
385.13269	3.4
413.21671	2.0
418.66928	0.9
429.17435	1.4
473.14941	45.8
474.14835	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	473.1514
Annotation	alpha-D-xylosyl-(1->6)-beta-D-glucosyl- (1->4)-beta-D-glucose
Peak:m/z	Relative Intensity
51.09851	1.9
57.03453	13.5
59.01387	50.4
69.03461	5.5
70.64586	1.7
70.65029	4.4
71.01020	2.9
71.01389	39.2
72.99326	2.1
73.02964	2.9
81.76176	2.0
83.01398	2.3
83.24628	1.7
83.57348	1.6
85.02944	12.5
87.00896	3.7
87.04517	11.9
89.02463	30.7
92.21230	1.9
93.03498	2.2
95.01384	3.9
101.02460	18.4
113.02460	32.7
119.03545	13.8
119.05022	3.0
131.03517	100.0
132.03819	2.0
135.04562	11.0
141.00456	5.9
143.03444	2.9
149.00940	17.3
155.02043	4.0
157.03442	2.2
158.24722	1.7
161.04572	8.3
163.03969	4.2
179.03583	11.6
179.05598	18.8
180.06689	23.3
185.06721	1.9
197.03073	14.1
201.05661	1.9
203.63834	1.7
235.18518	1.9
257.05347	3.2
293.08768	11.2
341.10971	11.4
357.06476	2.2
357.46973	2.4
366.95874	1.9
413.02612	2.8
473.15405	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	473.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36248	0.6
55.01876	1.1
57.03452	13.2
58.00586	1.1
59.01385	8.5
59.05024	1.0
59.60751	0.6
66.42581	0.6
69.03446	5.5
69.07184	3.2
71.01390	5.4
72.99309	1.1
85.02956	7.8
87.00918	1.3
87.04520	12.8
89.02457	5.4
95.01405	0.7
101.02461	2.4
113.02452	11.5
113.03622	1.6
114.02007	1.9
119.03535	2.0
131.03520	100.0
132.03876	1.2
135.04527	7.3
137.02457	1.1
149.00940	8.2
158.71976	0.5
161.04584	1.9
164.79178	0.6
179.03516	7.3
179.05652	2.1
188.88963	0.7
189.05548	1.2
201.02316	0.7
253.85284	0.7
293.03165	0.8
293.08783	2.8
311.04242	0.7
318.19879	0.6
341.10944	9.0
342.11328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64227	0.5
58.02983	1.2
59.01385	2.0
59.27350	0.4
60.89275	0.5
61.98835	1.3
63.90710	0.5
70.02989	7.1
70.56798	1.1
71.01394	1.6
71.02502	2.1
72.00916	2.9
75.00880	0.6
80.34335	0.4
85.02962	0.9
89.02448	1.5
95.02531	5.0
101.02459	0.5
105.01949	0.9
111.02019	1.9
113.02425	1.2
113.03587	31.9
114.01986	22.3
119.03476	0.6
122.83276	0.4
128.76610	0.5
131.04643	100.0
132.03062	0.5
132.04971	1.6
138.85918	0.4
145.06207	1.6
161.04582	0.6
171.63033	0.5
174.99242	0.6
179.03481	0.6
179.05650	2.2
219.09969	0.5
341.11011	2.3
440.72946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42233	0.7
54.40079	0.6
59.01387	9.9
70.75173	0.8
71.01382	2.9
73.02984	0.8
74.02460	0.8
87.00870	0.9
89.02456	1.8
93.03471	1.0
96.96032	2.3
101.02448	1.3
105.95786	0.6
111.04540	1.2
113.02493	1.1
119.03484	0.7
120.99625	0.8
122.99268	1.7
123.04564	0.8
135.04587	0.8
135.08192	1.5
137.02477	1.8
149.00978	0.7
153.09235	100.0
154.09564	4.2
161.02443	0.8
161.04501	1.0
179.03568	1.8
179.07199	0.7
197.08215	62.4
198.08553	2.2
223.06120	1.3
268.03809	3.2
269.04514	0.9
278.85803	0.7
285.04092	1.2
331.79623	0.7
335.11581	0.6
473.13452	4.2
474.14194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.0
70.88831	0.9
71.01394	2.1
73.02957	5.2
74.02467	0.8
85.02966	1.0
87.00887	1.1
89.02465	2.3
98.03767	0.9
101.02459	1.7
105.39842	0.6
107.08647	0.8
109.06633	0.8
113.02425	1.0
116.27254	0.7
119.03436	0.7
120.99683	3.0
122.07722	0.6
131.03468	0.8
135.04535	1.6
135.08185	2.0
149.00871	0.8
150.22200	0.6
153.09227	100.0
154.09550	3.2
161.02492	1.0
161.04575	0.8
165.07474	0.6
167.10783	0.7
174.06888	5.6
179.03543	0.9
189.01985	1.5
189.09218	8.6
191.03554	0.8
197.08212	80.4
198.08588	3.7
223.07968	1.4
268.99713	0.7
273.07700	1.4
279.02744	1.1
312.08759	0.9
321.03925	1.3
363.04846	2.1
429.17575	1.1
473.08807	1.0
473.15369	6.1
484.35797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	1.1
59.01387	12.2
69.28099	2.9
71.01397	3.7
72.99315	1.9
73.02950	2.3
74.29356	0.7
75.00876	3.5
80.09673	0.7
85.02969	2.3
87.00882	3.1
87.04513	0.9
89.02448	2.5
95.01408	0.9
99.04534	0.9
101.02435	2.8
101.03033	0.7
105.01947	100.0
106.02300	1.4
109.06579	1.1
113.02436	4.5
119.03510	0.9
120.99700	1.3
121.02974	0.8
131.03432	0.8
133.10254	1.1
135.00887	1.1
135.04536	1.7
135.11830	6.7
149.00934	1.1
153.86363	0.7
159.08194	0.8
159.11797	1.8
161.04524	1.5
161.09766	3.8
167.03503	2.3
177.12889	1.5
179.03526	1.5
179.10805	30.3
180.11139	1.5
181.39172	0.6
189.62891	0.7
203.10803	0.9
205.08847	0.7
221.11888	0.7
223.07771	1.3
223.09775	13.8
249.11322	0.8
265.10956	1.4
267.12421	1.5
275.07547	0.7
311.11407	36.0
312.11865	1.9
341.19656	1.3
353.12286	1.1
396.45776	0.7
413.14590	1.2
413.22330	0.7
473.10852	0.7
473.16623	8.2
474.17072	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	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.4
61.98826	0.5
69.13692	3.1
71.01386	1.8
72.99297	0.6
78.95918	1.4
79.05548	3.0
81.03474	0.5
82.95407	0.5
84.95148	3.3
85.02955	0.7
87.00887	36.3
88.00422	0.8
89.02448	1.2
96.95988	0.5
96.96944	0.6
101.02465	0.6
103.00413	0.5
105.03474	4.6
109.02978	0.7
112.98808	0.6
113.02428	0.8
114.05703	0.5
115.00375	0.6
121.02955	0.8
121.06622	2.1
123.04540	15.6
128.03571	2.1
130.08806	0.7
133.02997	1.0
134.03751	2.0
135.04561	3.7
137.02524	0.6
146.02609	0.5
147.04544	1.8
149.00941	6.2
149.02452	11.3
149.06184	0.5
161.02461	1.2
162.03247	4.8
165.05583	100.0
166.05916	3.6
167.03477	1.1
177.05595	6.1
179.03519	3.9
183.19685	0.5
187.10854	0.5
193.05048	2.0
197.04538	0.6
207.06595	0.5
219.03047	0.7
239.05595	0.6
253.05067	0.5
275.51227	0.4
311.04321	0.9
357.08737	0.8
385.08011	0.5
429.22903	0.5
473.16660	4.0
473.26633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.8
59.01386	83.5
60.01711	1.7
61.98830	4.1
69.03447	5.6
71.01389	73.9
71.09829	1.9
73.02956	10.4
75.00884	2.5
77.52111	1.4
81.03474	2.7
83.01388	5.5
85.02959	8.7
87.00887	3.7
89.02454	100.0
95.01367	1.7
97.02962	12.0
99.00901	13.8
99.04518	1.7
101.02452	17.7
109.02975	9.3
109.15734	1.4
111.00928	7.6
113.02455	10.7
114.04593	1.5
115.04008	5.6
119.03515	2.9
123.57840	1.8
124.52229	1.4
125.02466	38.9
127.04034	2.2
131.03511	12.3
133.02969	5.8
134.03767	2.4
135.04544	39.3
135.05519	3.4
137.02400	1.7
143.03485	3.0
145.02951	3.6
146.02586	3.6
146.03755	71.3
147.04449	5.0
149.00941	8.9
149.04558	12.3
149.06253	1.7
161.02470	15.0
161.06064	18.4
163.04044	4.6
164.04810	38.3
175.86583	1.8
177.05551	9.4
179.03540	29.3
179.07141	52.2
180.03894	1.6
180.07442	1.9
189.05554	2.0
191.03983	1.8
191.05649	7.4
193.05045	1.9
203.03511	2.5
221.04553	15.9
233.06668	34.9
245.04565	1.8
293.08832	27.4
301.03641	2.0
311.07614	10.3
311.10205	6.9
341.08945	3.0
353.08698	1.7
383.10480	1.5
410.79538	1.8
413.19382	2.2
473.12723	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	473.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02996	1.6
56.56471	1.7
59.01386	100.0
59.47346	1.5
61.98841	3.7
69.03458	9.0
69.44138	8.2
71.01389	79.1
72.99317	2.1
73.02954	12.8
75.00877	3.8
78.39773	1.4
81.03461	4.6
81.79039	1.8
81.86159	1.5
83.01396	6.5
85.02946	8.8
87.00874	6.5
89.02455	96.9
95.01434	1.7
97.02962	11.1
98.22618	3.2
99.00887	15.3
99.04520	3.3
101.02465	14.3
109.02940	5.2
111.00909	1.8
113.02446	8.6
115.03995	7.5
119.03512	3.6
125.02462	45.4
128.03520	2.1
131.03531	12.6
133.02937	5.2
135.04529	27.9
143.03459	2.8
145.02977	2.9
146.03758	78.4
149.00925	15.6
149.04575	20.0
161.02501	9.9
161.06085	32.7
163.04056	1.8
164.04808	6.9
165.05528	2.0
173.04579	1.7
179.03519	28.3
179.07147	23.8
191.05605	11.8
197.00378	1.8
205.81578	1.8
221.04546	1.7
233.06705	33.0
293.08801	30.6
301.03613	3.2
341.06155	2.7
385.08795	2.1
469.60144	1.8
473.12390	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	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93769	0.5
57.03452	0.6
59.01386	100.0
60.01730	0.7
60.22018	0.4
61.98841	1.5
67.20055	0.6
68.56481	0.4
71.01397	3.3
71.33524	0.4
73.02968	1.6
74.02482	3.9
74.99107	1.1
77.32731	0.4
83.01407	0.6
85.02968	1.3
87.00900	0.8
89.02477	2.0
91.65818	0.5
101.02437	2.5
113.02488	1.5
119.03580	0.9
131.03673	0.6
133.67543	0.5
135.11899	1.0
143.03529	0.5
149.00891	0.6
149.04572	0.6
161.02390	0.5
161.04619	0.7
179.03612	0.6
179.10797	2.7
182.62241	0.5
188.29170	0.5
197.08516	0.5
227.03398	0.5
229.42564	0.6
255.03154	1.3
267.11377	0.9
284.03281	0.6
293.09012	0.6
329.06601	0.5
341.19846	2.1
384.24228	2.2
414.25208	0.5
456.25842	0.7
473.11105	0.6
473.18903	1.3
473.27094	1.8
474.26822	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	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24223	0.4
57.01511	0.4
59.01384	100.0
60.01718	0.9
61.98833	3.6
62.00392	0.4
69.34374	1.6
71.01382	2.4
73.02965	0.7
74.02477	0.9
81.86317	0.4
82.95425	0.5
85.02969	0.9
87.00860	0.4
89.02460	1.2
89.91416	0.4
101.02460	2.2
113.02457	1.1
119.03519	0.6
125.02487	0.5
128.24158	0.3
133.02989	1.0
135.04547	0.8
135.11815	0.8
143.03598	0.6
153.09224	2.4
161.04544	0.9
177.01939	0.4
179.03534	0.7
179.10826	1.4
191.05646	0.8
197.08301	1.2
201.11331	0.5
227.03545	1.3
255.03015	2.2
267.10815	0.8
284.03360	1.2
285.04028	0.7
311.05426	0.7
371.20782	0.6
413.22089	0.5
430.28287	0.7
473.11121	1.4
473.27554	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	473.2549
Annotation	Diterpenoid EF-D
Peak:m/z	Relative Intensity
55.66601	1.4
59.01369	2.4
61.98835	4.4
65.33279	1.5
70.70097	1.9
70.70435	2.8
74.35760	1.7
85.35938	1.6
91.01922	1.7
101.39208	1.8
121.02982	2.5
121.59601	2.0
133.02980	26.4
134.03763	25.6
135.04544	31.2
137.02469	11.1
139.04002	2.3
150.03221	1.8
158.29620	1.5
161.02461	100.0
162.02827	2.4
162.83931	4.5
164.83638	2.9
178.02730	5.1
179.03510	15.4
183.10236	1.7
281.60791	1.9
334.84125	1.9
437.07434	2.2
456.96014	1.8
473.25491	54.4
473.32272	2.8
474.25879	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	473.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32608	1.1
69.88142	2.5
72.05369	1.0
72.05809	1.2
78.95901	2.3
79.80477	1.2
82.75965	1.2
114.98130	1.1
204.91748	1.2
205.16008	24.9
221.52437	1.3
404.24039	1.7
457.25082	13.8
458.25403	1.7
473.28275	100.0
474.28732	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	473.3276
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.81958	0.8
56.10580	0.7
64.72803	0.9
68.99826	1.6
69.03443	0.9
69.79659	1.5
69.80035	2.8
83.05028	1.2
109.02924	1.9
116.46898	0.9
122.03727	1.0
135.04565	1.1
149.00896	1.7
150.87881	0.8
156.39673	0.8
201.09369	0.9
215.10693	1.0
229.12312	1.9
255.13928	2.4
369.31555	3.5
386.28201	1.1
411.32703	48.4
412.33112	4.8
417.33752	0.9
429.33737	100.0
430.34045	11.5
473.32654	87.8
474.33112	9.5
489.93359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3273
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
50.42466	0.4
69.03463	6.1
70.96035	0.7
80.02689	1.2
80.19519	0.5
81.03449	0.5
83.05025	0.5
91.05571	0.8
93.03442	0.5
101.52020	0.4
107.05048	4.7
109.06602	67.2
110.06940	1.2
121.02903	0.5
149.55223	0.5
157.43130	0.5
273.97321	0.5
317.28424	2.2
355.30057	2.9
357.31659	31.7
358.32016	3.2
359.29654	0.8
369.31357	0.8
377.73203	0.6
383.33322	1.7
385.34784	12.9
386.35150	1.5
393.31741	1.0
396.46625	0.5
411.32684	9.7
412.33331	1.0
429.33752	55.0
430.34213	5.1
473.32742	100.0
474.33063	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	473.3638
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
59.01109	0.9
59.01376	5.1
63.30821	0.6
65.50148	0.5
69.51694	1.0
69.52097	1.9
85.72546	0.5
90.05557	0.5
98.21896	1.1
108.57565	0.5
125.87275	0.6
135.04507	0.6
149.00922	0.7
160.84201	1.3
162.83910	1.7
179.03580	0.9
217.02687	0.6
223.00092	0.6
425.34232	3.6
427.35681	3.7
428.35803	0.8
437.09094	1.0
438.08307	0.9
456.29327	0.6
473.36401	100.0
474.36737	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48352	0.3
59.01389	5.9
61.98837	100.0
63.19879	0.3
69.37751	0.7
69.38166	1.4
71.01387	0.8
73.02981	0.4
74.02441	0.5
89.02480	0.7
89.50405	0.3
98.22662	0.7
101.02458	0.9
113.02460	0.5
117.54341	0.4
128.99324	0.7
133.02992	1.3
135.04536	0.5
146.02498	0.8
147.03258	0.6
148.04074	2.9
161.04681	0.4
161.39951	0.4
179.03642	0.4
192.69025	0.5
209.06126	0.7
217.03944	0.5
219.92833	0.4
230.55991	0.4
234.05666	2.2
251.06007	1.3
251.16441	0.4
252.06677	5.0
256.09848	0.7
262.05133	0.7
279.05347	0.5
280.06171	3.7
284.09424	1.1
294.07852	1.4
299.51300	0.5
312.08850	1.3
380.10150	0.5
442.11545	2.4
447.61743	0.3
458.98123	0.4
459.15002	0.4
463.71814	0.4
474.14142	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08737	0.8
59.01383	5.7
61.98834	100.0
68.02534	5.3
71.01379	1.8
71.69723	0.8
73.02946	1.4
74.02486	6.7
85.02988	0.9
89.02445	1.4
100.91957	0.7
101.02457	1.6
126.68874	0.9
128.99283	9.5
130.05237	0.8
135.04575	0.9
135.98508	1.0
148.04152	1.5
148.05315	20.2
148.06425	1.2
158.99109	0.8
161.02550	1.5
163.07660	28.2
164.08086	1.1
179.10822	1.0
228.83342	1.2
263.17102	0.9
276.17139	0.9
374.59613	0.8
429.27206	1.0
430.28296	1.4
473.28928	1.2
474.30377	2.6
494.43362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53112	0.9
59.01386	22.1
61.98836	5.1
69.19835	5.8
71.01396	7.6
73.02945	2.0
74.02479	3.3
81.03458	2.6
82.03796	1.4
85.02964	2.2
87.00877	1.0
89.02459	4.6
93.03446	2.7
95.01324	1.1
101.02464	5.7
105.03506	1.4
106.04256	1.4
107.04994	1.7
109.02946	1.5
109.86153	0.9
113.02461	4.1
117.03498	1.2
119.03522	3.2
119.05016	1.4
121.02966	2.9
123.04529	3.8
124.04875	3.1
125.02450	3.5
130.08772	4.6
131.03787	19.7
132.02136	1.8
132.04591	12.6
133.01947	1.1
133.02972	46.2
134.03772	34.5
135.04544	87.5
136.04840	2.6
137.02461	13.0
137.09743	2.4
139.04041	3.2
139.99150	1.1
142.12469	1.2
154.09584	1.3
155.10822	7.6
158.02483	2.0
160.04056	27.6
161.02463	76.2
162.02795	2.7
165.93936	0.9
167.03510	13.7
168.03894	8.3
177.01944	1.4
178.02734	8.2
179.03514	100.0
180.03856	4.0
199.09785	3.8
223.07605	8.6
228.64783	1.1
241.08762	4.1
250.08745	11.6
267.06519	1.2
268.09882	2.5
273.07700	10.9
274.08069	23.0
275.08307	2.2
276.08649	1.1
294.07687	1.9
294.17233	1.5
295.11014	1.4
312.08701	1.2
312.18283	9.0
323.07504	1.4
436.13245	3.3
474.14075	50.8
475.13199	1.5
475.18518	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	474.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19897	0.3
56.65768	0.4
59.01393	4.0
59.46514	0.4
61.98839	0.8
70.80998	0.5
71.01384	1.0
73.02927	0.6
74.02474	0.5
80.17567	0.4
85.02958	0.6
87.00895	0.5
89.02464	0.6
93.03460	1.4
93.73019	0.4
94.72071	0.4
97.00905	0.4
100.15857	0.4
101.02464	0.5
106.04259	1.2
108.02174	0.7
108.04630	0.6
109.02981	1.6
111.00928	0.4
113.02488	0.9
120.47364	0.4
121.02974	2.5
132.02197	0.8
132.04576	2.2
133.02971	17.6
134.03758	52.1
135.04578	8.3
137.02458	15.8
138.02808	0.5
139.04034	4.8
149.00941	0.4
149.02438	0.7
150.03229	1.4
150.05640	0.7
160.04056	12.4
161.02464	37.3
162.02838	0.8
177.01906	0.7
177.05688	0.5
178.02739	24.8
179.03511	6.4
179.08792	0.7
181.06734	0.4
195.08156	0.8
205.06627	0.7
209.94298	0.4
221.04539	0.6
223.07686	8.2
232.77164	0.4
241.08725	7.6
242.09047	0.7
250.08736	0.8
251.05678	0.9
268.09796	10.0
269.10300	0.6
281.06613	0.5
284.03308	1.2
285.03995	0.7
286.04108	0.4
294.07635	0.7
299.05786	0.5
312.08807	100.0
313.09146	6.4
323.07721	1.5
343.21414	0.8
474.14337	2.9
474.27194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29656	0.4
53.27122	0.4
55.02200	0.3
57.03448	0.5
59.01386	18.3
69.93353	0.5
69.93683	0.9
70.63080	0.3
71.01391	6.7
73.02921	0.8
80.99253	0.4
85.02962	1.4
89.02451	6.4
91.05559	0.7
93.03466	1.6
95.01405	0.6
101.02462	3.3
105.01958	0.9
105.03519	0.8
106.04275	1.2
107.05074	1.9
108.02201	0.5
109.02951	2.1
113.02483	2.1
117.03477	1.0
119.03471	2.5
121.02964	2.6
123.04504	0.4
131.03787	21.8
132.02257	2.3
132.04582	14.8
132.05598	0.5
133.02974	45.4
134.03764	41.1
134.04848	0.6
135.04541	89.1
136.04884	3.4
137.02455	12.0
139.04021	3.0
147.04546	0.6
149.00858	0.4
150.03224	1.3
155.10675	0.4
158.02489	1.6
158.72946	0.3
159.03258	0.4
160.02069	0.6
160.04060	30.1
161.02461	82.8
162.02783	2.7
174.05659	0.5
175.04004	0.6
178.02727	11.3
179.03513	100.0
179.51532	0.4
180.03870	3.4
186.05814	0.4
195.08199	0.7
207.06662	0.9
222.07002	0.4
223.07663	9.3
225.05641	1.2
226.06383	0.5
227.07262	0.4
234.05652	1.1
241.08722	4.5
242.08873	0.4
250.08748	15.1
251.09119	0.8
252.06778	0.8
268.09781	1.7
294.07541	1.8
312.08746	1.1
313.12775	0.6
323.07846	1.5
415.23495	0.4
430.15100	1.2
474.14084	47.8
475.14133	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	474.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95736	0.5
59.01383	5.5
60.89418	0.5
61.98837	1.2
65.03727	0.4
65.56396	0.4
65.56986	0.5
69.41851	2.2
71.01385	2.9
73.02965	1.6
74.02467	0.9
82.33127	0.4
85.02965	1.1
87.00896	0.8
89.02458	1.7
89.06474	0.4
98.22659	0.8
101.02461	1.3
105.01923	0.6
109.03008	0.6
113.02467	1.8
117.03458	0.6
119.03519	0.6
121.02996	0.8
128.03497	0.4
131.03729	1.5
132.02193	2.0
132.04568	14.0
133.02971	33.9
134.03781	4.5
135.04539	29.5
136.04874	0.8
137.02448	1.8
149.06108	1.7
150.05640	1.5
155.10774	1.4
160.04053	4.9
161.02461	100.0
162.02789	2.9
171.10312	0.6
177.01971	0.9
177.05591	3.9
178.02657	0.9
179.03516	30.8
180.03815	1.3
197.11856	0.7
203.03542	3.3
221.04568	6.3
223.07645	0.6
233.04567	0.9
241.08621	0.6
250.08803	0.7
251.05647	5.1
263.05637	0.5
281.06683	8.7
293.08780	0.6
323.07742	18.9
341.08847	1.9
343.21280	4.4
396.17526	0.8
418.46619	0.5
456.13162	2.8
474.14072	19.8
475.13763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64944	1.2
54.28795	1.0
55.01880	1.2
55.77671	1.2
56.68363	1.1
57.03453	5.6
59.01386	80.5
59.22900	1.1
61.98839	6.6
68.53461	1.0
68.99831	1.6
69.03445	1.4
70.25599	2.4
71.01386	15.7
71.15330	1.0
73.02969	5.2
73.03323	1.3
74.02487	8.4
79.85988	1.0
80.97518	1.0
83.01421	1.3
83.05007	1.2
85.02951	3.4
87.00879	4.8
89.02457	8.5
93.03432	3.5
99.00813	1.2
99.04549	3.0
101.02459	8.2
106.04232	1.1
109.02961	2.7
111.00906	1.1
112.98837	1.7
113.02455	4.9
119.03506	2.7
119.05021	3.1
120.99658	3.8
121.02982	5.3
123.04566	1.6
125.02452	1.9
131.03503	1.2
132.02139	1.2
132.04561	2.7
133.02974	27.9
134.03767	57.3
135.04564	28.3
136.04881	1.0
137.02460	25.3
137.09706	2.6
139.04039	10.5
143.03442	1.7
147.04536	5.7
149.06038	1.3
150.03163	1.3
153.09270	5.1
154.09561	4.0
155.10794	16.8
160.04082	16.6
161.02466	53.4
161.04576	3.1
161.06078	1.2
162.02847	1.9
168.03015	2.5
170.98357	1.1
174.06859	3.1
175.07191	4.1
177.01895	1.9
177.32401	1.1
178.02754	29.6
179.03493	12.6
179.05754	2.0
189.09221	5.7
190.09570	6.2
191.05673	1.9
193.05026	3.1
195.10350	1.3
197.08205	2.8
198.08504	1.7
199.09758	14.5
205.06651	1.8
221.04532	1.3
223.07661	12.3
224.08330	1.2
241.08734	9.5
250.08882	1.7
256.03333	1.2
268.09879	12.2
281.06641	1.6
285.03928	2.3
312.08817	100.0
313.09045	7.0
323.07709	8.6
343.21252	3.8
415.23621	1.9
430.28357	3.8
473.27121	2.0
474.14185	49.8
474.27194	5.3
475.13391	3.7
475.18875	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	474.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90519	1.6
61.98835	39.8
69.37027	3.3
69.37427	8.0
73.68217	1.5
78.95908	100.0
95.25690	1.7
96.96979	6.9
109.67934	1.7
141.81685	1.7
152.99588	13.4
171.00618	14.0
204.33032	1.9
215.84554	1.5
234.59431	1.6
277.21710	16.4
291.93884	1.6
366.70932	1.8
437.71188	1.9
474.26309	43.9
474.33096	3.1
475.26724	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	474.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.9
60.46879	0.7
61.98842	1.1
69.48054	1.7
78.95914	100.0
91.11696	0.6
96.96980	7.8
98.22720	0.8
128.20035	0.7
140.01219	2.0
152.99608	15.7
155.00537	0.7
162.83916	2.0
171.00682	14.8
188.08093	0.7
196.03821	2.6
222.23969	1.0
267.14801	0.8
277.21793	20.3
400.22455	1.5
474.26291	57.4
475.26654	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	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
59.11657	0.4
67.67503	0.3
78.00922	0.4
78.95911	8.9
122.00130	0.4
136.96574	0.3
140.01199	2.4
152.99609	1.0
157.96797	0.5
160.84216	1.9
192.43127	0.4
196.03821	1.6
214.04874	3.1
230.90140	0.4
232.82312	0.5
259.20706	0.5
277.21747	100.0
278.22101	6.0
438.00980	0.7
474.26251	6.4
475.26840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44117	0.4
56.00590	0.4
59.01384	1.0
70.49011	0.5
78.95906	34.3
94.32342	0.4
96.96984	0.9
122.00114	1.2
127.07639	0.6
140.01204	7.2
152.99605	3.5
155.28416	0.4
160.84198	1.2
168.11749	0.4
171.00542	1.2
178.16742	0.4
178.74994	0.4
191.29547	0.4
196.03816	10.8
196.43419	0.4
214.04836	3.6
219.69286	0.4
273.86829	0.4
277.21729	100.0
278.22076	6.5
395.77499	0.4
474.26270	28.6
475.26590	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	475.0887
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
57.03453	3.2
58.00575	0.7
58.33397	0.5
59.01387	27.9
70.63481	0.9
71.01389	13.7
72.99307	1.2
73.02953	2.5
74.15885	0.5
75.00872	4.8
83.01381	1.8
85.02960	22.5
86.03369	0.9
87.00881	3.2
89.02451	5.5
93.03468	0.7
95.01395	6.4
97.79021	0.6
99.00899	8.4
101.02449	2.8
103.00377	3.9
103.17351	0.6
107.01404	1.1
113.02462	46.1
115.00367	2.1
117.01946	2.4
119.03474	1.4
128.03546	0.7
129.01939	2.4
133.02988	0.8
134.03767	2.0
137.02402	0.8
151.00401	2.1
155.10789	0.6
161.04500	1.6
175.02505	9.1
179.05594	0.7
189.95990	0.7
199.09718	0.8
227.03528	0.8
254.05740	0.9
256.03842	5.7
284.03293	84.4
285.03668	5.6
299.05627	100.0
300.05948	8.3
327.09540	0.7
343.21054	3.1
415.23248	1.7
475.08865	6.3
475.16364	5.0
476.09293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87701	0.6
59.01385	15.9
61.98847	3.9
69.03431	0.9
71.01391	9.0
72.99291	2.6
73.02940	2.2
74.02481	7.9
79.70377	0.9
83.01362	1.1
84.93861	3.1
85.02935	2.3
85.04768	0.8
87.00871	2.7
89.02437	2.3
95.01390	0.9
95.05017	0.7
97.02956	1.1
98.71632	0.8
99.00877	8.5
99.92596	43.6
100.92670	1.9
100.93369	39.6
101.02422	2.8
101.93359	1.8
104.03510	2.4
104.51823	0.8
108.08184	1.5
111.00854	1.0
113.02407	2.6
115.92091	55.6
116.03485	2.6
116.92871	100.0
117.92937	3.8
117.93607	1.2
118.05032	1.0
119.03457	1.1
124.93303	0.8
126.94927	1.0
127.00383	1.2
141.93564	1.1
142.94395	1.4
146.04585	1.9
148.03992	2.6
154.94424	1.3
155.10789	4.8
160.04030	2.2
161.04803	4.3
167.95093	1.0
169.93074	0.9
170.93872	1.9
191.05574	1.0
194.94316	0.9
195.13826	3.2
195.94667	1.6
196.95485	1.4
198.93459	0.9
199.09691	3.5
210.93245	1.3
213.14983	1.9
234.40823	0.8
242.95908	0.8
255.05464	0.9
259.96112	1.2
265.05276	1.6
269.12906	6.6
279.06839	2.7
283.06360	1.8
293.04773	1.9
294.05563	0.9
295.06323	1.3
295.10684	4.3
296.07117	1.5
297.04797	1.2
297.07977	17.5
298.07938	1.3
306.83841	1.1
311.05765	3.6
313.03326	1.0
313.11917	5.3
319.06604	0.9
321.08005	1.1
325.06854	1.3
327.21402	1.4
328.54742	0.8
337.07455	1.1
343.24814	2.2
355.12854	1.4
365.06497	1.2
375.20035	1.8
379.07959	1.0
381.10046	1.9
383.07684	1.8
409.09363	0.9
415.14880	1.2
427.10297	3.1
430.27780	1.1
439.10675	51.5
440.11136	6.2
457.11548	2.5
474.26648	4.7
475.12415	38.9
475.17444	3.9
475.27148	3.6
476.12991	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.00592	0.7
59.01383	31.9
69.03465	0.8
69.16802	4.5
70.99576	0.8
71.01387	22.1
73.02962	5.2
74.99080	1.2
75.34519	0.8
81.03481	0.7
83.01389	1.2
85.02955	5.6
87.00874	3.6
89.02452	24.3
95.01375	1.5
95.05025	1.0
97.02978	1.6
99.00892	5.3
101.02460	15.7
104.76099	0.9
113.02468	7.1
115.04052	1.1
119.03532	5.8
120.99664	19.5
121.02927	3.3
123.00885	11.9
123.04534	1.0
125.02428	1.7
131.03516	4.9
138.03244	48.1
138.48152	0.8
139.03564	1.3
139.86371	0.8
143.03522	1.7
149.04552	8.0
151.04031	1.6
153.05589	100.0
153.09204	3.6
154.05923	3.3
161.02487	4.3
161.04559	3.7
168.04071	0.7
175.04074	1.3
176.04811	4.3
177.05594	1.4
179.05652	1.5
181.12386	1.0
191.05577	1.9
191.07137	6.3
194.00310	0.9
195.01224	2.7
197.04539	4.4
197.08185	6.0
199.09821	1.9
209.02786	2.5
210.03598	5.9
211.13402	0.9
223.04401	2.2
225.05931	59.8
226.06221	2.7
226.24918	0.9
229.14381	1.5
233.06618	1.3
273.16223	0.9
283.01749	1.0
293.08783	1.8
304.67245	0.8
313.07452	8.8
343.17453	5.0
343.21246	11.3
359.13464	1.4
387.11197	10.6
388.11414	0.9
475.12793	19.8
475.21802	20.9
476.13074	1.4
476.21985	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	475.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	46.8
69.45509	45.3
71.01389	46.8
76.70996	10.0
85.38190	10.6
87.04528	13.0
89.02459	49.4
101.02467	16.0
113.02444	18.0
115.00379	50.4
118.52929	10.5
119.03577	13.6
131.03551	16.0
132.94664	44.5
133.01447	87.9
133.05075	100.0
135.04536	23.0
147.06010	11.0
171.17026	10.1
179.03459	14.0
265.95688	11.4
278.17322	10.8
283.14343	11.7
332.91672	10.5
341.10898	52.1
377.08517	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03762	1.4
54.45955	1.2
57.03450	81.2
57.92788	1.1
58.03796	1.2
59.01385	7.9
71.01387	4.7
73.02940	1.4
85.02957	5.0
87.00903	2.3
89.02425	2.0
99.04521	26.2
101.02451	22.7
109.02979	1.8
110.00069	3.1
111.00893	8.0
112.98850	1.4
113.02467	3.8
119.05046	1.3
121.03045	2.0
123.00890	2.1
123.04579	1.5
125.02467	23.1
133.02983	3.2
135.04530	11.1
136.04868	1.5
137.02495	1.4
137.99590	2.9
138.03197	2.8
139.00377	53.9
140.00752	1.4
149.00896	5.9
149.02501	2.0
149.99521	1.6
150.01416	1.2
151.01355	2.1
151.03926	1.3
152.01161	3.4
153.01947	63.2
154.02728	66.4
155.03423	2.2
161.02455	4.3
161.04575	4.4
165.05589	1.8
166.02769	1.7
167.03491	9.8
167.07034	1.1
168.04276	30.4
169.05066	100.0
170.05443	3.3
179.03494	11.4
180.03899	1.4
182.02225	2.5
191.03555	1.5
195.06570	2.5
197.04568	6.2
203.03606	1.3
209.04652	1.7
218.74068	1.2
249.01776	1.2
289.07263	1.4
313.04742	1.0
313.09354	2.9
331.06427	1.9
331.10327	29.1
373.11401	21.1
413.14478	3.6
418.53061	1.3
475.15326	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03762	1.4
54.45955	1.2
57.03450	81.2
57.92788	1.1
58.03796	1.2
59.01385	7.9
71.01387	4.7
73.02940	1.4
85.02957	5.0
87.00903	2.3
89.02425	2.0
99.04521	26.2
101.02451	22.7
109.02979	1.8
110.00069	3.1
111.00893	8.0
112.98850	1.4
113.02467	3.8
119.05046	1.3
121.03045	2.0
123.00890	2.1
123.04579	1.5
125.02467	23.1
133.02983	3.2
135.04530	11.1
136.04868	1.5
137.02495	1.4
137.99590	2.9
138.03197	2.8
139.00377	53.9
140.00752	1.4
149.00896	5.9
149.02501	2.0
149.99521	1.6
150.01416	1.2
151.01355	2.1
151.03926	1.3
152.01161	3.4
153.01947	63.2
154.02728	66.4
155.03423	2.2
161.02455	4.3
161.04575	4.4
165.05589	1.8
166.02769	1.7
167.03491	9.8
167.07034	1.1
168.04276	30.4
169.05066	100.0
170.05443	3.3
179.03494	11.4
180.03899	1.4
182.02225	2.5
191.03555	1.5
195.06570	2.5
197.04568	6.2
203.03606	1.3
209.04652	1.7
218.74068	1.2
249.01776	1.2
289.07263	1.4
313.04742	1.0
313.09354	2.9
331.06427	1.9
331.10327	29.1
373.11401	21.1
413.14478	3.6
418.53061	1.3
475.15326	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42138	0.4
58.09543	0.3
59.01385	7.5
61.98833	0.4
64.86213	0.3
69.45256	0.6
69.45643	0.8
71.01389	5.1
73.02961	0.3
78.95905	0.3
80.50464	0.3
80.70201	0.4
85.02971	0.7
85.85616	0.3
87.00888	0.7
89.02460	4.3
89.03960	0.4
91.05555	0.4
96.96054	0.4
101.02448	2.6
107.05046	1.5
113.02453	1.3
117.03491	0.9
119.03517	1.8
119.05026	0.5
121.02966	0.5
123.04508	0.7
132.02223	0.5
133.02971	8.7
133.05113	0.4
134.03773	5.9
135.04544	100.0
136.04845	3.0
137.02509	0.4
149.00955	0.7
151.06114	1.3
161.02466	28.6
162.02814	1.2
163.04031	0.4
165.04080	0.4
165.06670	0.4
177.01921	0.4
179.03520	83.5
180.03882	3.9
191.05612	0.6
225.05878	0.3
237.94102	0.3
304.71216	0.3
313.11560	0.7
314.11594	0.4
385.39041	0.3
446.12073	0.4
475.14624	36.1
476.14975	3.9
483.80237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83346	2.2
55.01881	4.2
55.76898	1.9
57.03462	2.0
58.00597	2.2
59.01385	99.3
61.98815	4.8
69.03468	5.1
69.79191	7.1
69.97616	2.0
71.01387	73.6
72.99310	2.4
73.02947	14.3
75.00863	4.7
81.03454	3.2
83.01381	4.8
85.02956	21.4
87.00884	7.2
89.02455	67.6
91.01894	10.0
91.53453	1.9
93.03471	12.9
95.01413	4.5
96.96007	2.5
97.02958	8.7
98.21918	2.3
99.00895	5.3
101.02447	39.0
107.05057	2.9
113.02449	26.3
115.04022	3.3
119.01451	2.3
119.03506	27.0
121.02968	74.2
123.00899	14.0
125.02447	25.1
127.01483	1.8
131.03510	7.6
133.88354	2.2
135.04520	4.4
137.02455	10.4
138.03276	21.3
143.03484	8.2
146.03752	11.7
148.05309	4.8
149.00899	3.3
149.04541	5.7
151.04022	81.1
152.04390	3.2
153.05588	16.0
161.04562	9.7
161.06044	5.2
164.04759	9.9
166.99861	6.1
179.03606	2.0
179.05644	7.2
179.07118	42.6
182.02242	30.7
191.05614	6.8
197.04561	100.0
198.04924	4.2
221.06677	12.0
233.06631	4.9
245.06592	4.8
263.07800	6.3
293.08856	5.4
313.09311	11.3
323.09686	3.7
343.17538	3.1
359.09821	10.0
414.09045	2.1
440.78265	2.0
475.21802	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03384	1.1
59.01318	2.7
59.58879	0.3
65.00264	0.5
69.03415	0.7
71.01325	1.4
73.02923	0.5
81.03457	4.7
83.01386	2.8
84.00185	0.3
85.02903	1.3
87.00839	0.8
88.10697	0.3
88.98756	0.4
89.02401	1.2
90.50071	0.3
93.03386	0.4
95.04966	1.1
97.02914	0.6
99.04461	0.7
101.02395	0.8
107.01365	0.9
109.02946	0.7
121.02926	0.4
123.00848	1.1
123.04533	33.9
124.01668	2.7
124.04836	1.1
125.02455	14.9
131.01382	0.5
135.04504	1.8
137.02402	1.3
139.03984	0.7
147.04521	0.4
148.04039	0.8
149.00966	1.7
149.02441	1.6
149.99577	3.8
150.01212	0.6
151.00330	1.5
151.01404	0.6
151.03952	1.1
153.05595	0.4
161.02495	0.4
163.04002	1.8
165.05548	0.4
166.02620	0.4
167.03505	100.0
168.00668	8.3
168.03842	4.1
169.01358	0.9
175.00397	1.5
179.03548	1.3
180.04135	0.4
181.05141	2.6
191.03514	19.1
192.03888	0.8
209.04576	6.9
221.04564	0.9
233.04486	0.9
269.10608	0.5
475.15347	27.9
476.15588	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	475.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.2
65.00323	1.1
65.03973	0.3
65.21622	0.3
67.15369	0.3
69.41753	1.3
71.01385	2.5
73.02955	0.9
73.84483	0.3
75.23135	0.3
85.02937	0.7
87.00877	0.5
88.98822	0.8
89.02451	3.6
91.01903	23.6
100.69135	0.2
100.77304	0.3
101.02443	2.2
102.81055	0.3
105.01881	0.3
107.01411	0.5
107.05066	0.3
108.02203	0.6
113.02437	0.9
125.02462	0.3
131.03461	1.3
135.00900	27.1
136.01247	0.6
149.02425	0.3
149.04558	3.1
153.05624	0.4
153.09206	0.7
161.04515	0.3
162.30821	0.3
166.02783	0.3
167.03508	100.0
168.03851	3.1
191.05577	0.6
192.30019	0.3
197.08205	0.6
199.09811	0.9
293.09097	0.7
299.78265	0.3
343.21344	1.0
415.16156	0.7
475.14325	3.3
475.20709	0.4
476.15155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27482	0.8
51.01773	0.8
54.29371	0.7
55.01872	0.7
57.03428	1.6
59.01387	29.5
67.49512	0.9
69.03446	3.1
69.94483	2.2
71.01389	16.8
73.02945	8.2
79.05541	6.8
81.03468	4.5
82.95415	0.8
83.01392	2.1
85.02959	5.8
87.00885	1.5
88.51105	0.8
89.02447	8.7
89.09019	0.7
97.02962	3.3
101.02451	14.5
103.04028	4.9
107.05022	1.2
109.02943	0.9
113.02474	2.8
115.03997	0.9
119.03539	4.6
121.02979	2.4
122.46858	0.7
123.04539	100.0
124.04879	2.9
125.02467	7.7
127.03969	0.9
132.02219	1.2
133.02971	8.0
134.03743	2.3
135.04543	40.7
136.04874	1.9
143.03503	1.4
149.01320	1.2
149.02464	7.7
161.01103	1.2
161.02464	24.6
162.83904	1.0
163.06049	3.7
164.83617	9.3
167.03490	2.3
179.03517	33.7
179.05164	1.6
180.03842	1.6
221.29915	0.9
232.89760	0.8
247.08299	2.8
307.10254	1.3
431.15582	3.3
475.14584	73.5
476.14993	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	475.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74639	2.9
54.24134	2.9
57.44929	2.7
57.79291	3.4
59.01378	3.7
71.19393	4.4
88.64912	2.9
93.03466	8.3
99.33977	2.7
113.35868	3.2
120.04529	14.9
131.03818	4.4
133.02945	5.0
134.62030	3.1
148.04036	11.4
150.32303	2.7
180.06677	21.0
185.03569	32.2
197.28271	2.8
224.07043	3.3
226.08812	4.1
234.05582	11.0
250.05298	4.8
252.06638	39.1
279.07809	6.6
284.09283	29.2
297.98602	3.0
311.10406	100.0
312.10812	3.6
349.21121	2.7
351.77847	3.6
436.94952	3.5
480.68137	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	475.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19140	0.5
55.01883	0.6
57.03435	0.8
59.01384	34.7
63.53748	0.4
69.18846	2.1
71.01389	16.4
72.99308	0.9
73.02951	2.5
79.97094	0.4
83.01365	1.0
85.02965	2.8
87.00880	1.7
87.04539	0.5
89.02453	20.0
89.75980	0.4
90.52612	0.4
95.01398	0.7
97.02947	0.5
98.15128	0.4
99.00877	2.8
101.02453	10.2
104.05078	2.5
106.06615	1.7
109.02961	1.9
113.02437	3.7
115.00316	0.5
119.03529	2.4
122.06181	0.4
125.02472	0.8
129.03461	0.6
130.06607	0.4
131.03548	2.5
134.06134	21.5
135.03003	1.0
135.04523	0.9
137.02448	1.0
137.09718	0.6
146.03694	0.6
147.04532	6.7
148.04051	25.1
149.04562	9.5
152.07141	1.2
155.10822	2.8
159.04521	1.3
160.04060	10.5
161.02441	1.0
161.04688	1.5
162.02844	0.4
168.02992	0.9
174.05612	5.4
191.05540	2.2
199.09738	1.0
229.01366	0.9
237.06580	0.6
251.08101	1.2
265.06021	0.6
267.11401	8.6
269.08313	2.5
295.10886	37.0
296.11118	2.5
313.07245	1.3
313.11826	0.7
339.05130	2.9
343.21335	3.4
447.17551	2.5
475.17267	100.0
476.17621	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37649	0.5
59.01385	42.1
70.59807	1.1
71.01383	1.4
82.95421	1.1
85.02932	0.7
89.02447	1.2
98.21986	0.6
100.93446	0.6
101.02473	0.7
113.02460	1.1
123.04537	2.1
125.02299	0.5
135.04483	1.0
145.02992	1.1
146.03754	35.7
147.04169	0.7
154.99940	0.6
161.04707	0.9
161.06090	12.2
164.04811	24.7
165.05168	1.3
178.02798	1.2
179.07150	100.0
180.07460	3.8
193.05165	0.7
201.61200	0.6
276.37445	0.6
379.14740	0.8
427.47958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19748	0.4
59.01386	21.9
64.90713	0.7
69.12377	0.5
69.63357	1.3
69.63737	1.0
71.57681	0.5
73.02960	2.4
98.21857	1.0
102.66788	0.5
124.71229	0.5
135.08160	0.9
136.00511	0.5
137.09737	7.8
155.10800	100.0
156.11157	3.7
181.08640	0.7
199.09778	87.4
200.10088	3.4
343.21622	1.1
425.61807	0.5
439.34735	0.6
476.15152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01379	25.5
60.99310	13.8
61.98827	3.7
65.29450	2.2
69.03461	3.1
69.44123	6.1
69.44527	3.5
71.01382	7.5
72.99319	2.7
85.02960	3.1
87.00887	15.4
88.00439	1.8
88.01216	2.0
88.21245	2.3
88.98813	100.0
89.02450	72.4
97.02956	1.9
101.02444	5.7
112.98841	4.7
113.02419	5.9
119.03522	2.1
123.00939	3.2
124.01667	7.2
125.02474	20.3
133.02988	2.4
135.04556	21.3
136.04860	7.2
136.05838	2.1
137.02507	3.6
137.05020	2.2
138.15718	2.3
148.90930	2.2
149.00938	33.7
149.99585	9.5
150.01294	11.3
151.01372	15.4
161.04538	3.1
165.05602	2.3
168.00656	17.7
169.01396	4.1
179.03490	12.8
180.03827	8.4
181.04031	6.1
181.08437	1.9
193.05035	1.9
194.05321	2.1
196.53458	2.0
293.08734	3.7
313.04736	3.3
475.11008	28.0
475.17450	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	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26880	0.3
57.03440	0.4
59.01386	16.5
61.72837	0.3
61.98816	0.6
65.00321	1.3
67.04680	0.4
69.03468	1.1
69.39198	1.2
69.39607	0.8
71.01386	9.9
72.99336	0.8
73.02586	0.4
73.02934	2.5
83.01386	0.8
85.02956	3.1
87.00861	1.9
88.98817	0.6
89.02456	11.4
91.01905	30.0
92.02245	0.6
99.00919	0.6
101.02451	7.4
105.01936	0.8
105.39903	0.4
110.68795	0.4
111.00853	0.5
113.02463	3.2
119.03532	1.0
120.99653	0.9
121.03020	0.6
123.00856	0.7
125.02467	0.7
126.35203	0.4
131.03520	4.8
135.00897	30.0
135.04558	0.6
136.01202	1.1
137.02504	0.4
137.09830	0.6
138.03232	1.8
143.03523	0.7
147.04562	0.5
149.00949	0.5
149.04567	8.7
153.01939	1.0
153.05594	3.6
153.09221	2.2
161.02438	1.2
161.04601	1.0
166.24232	0.4
167.03510	100.0
168.03806	3.1
171.10263	0.6
176.04797	1.4
179.03564	0.8
181.08739	0.7
191.05583	2.0
191.07204	2.2
197.04541	0.7
197.08258	2.5
199.09772	3.3
200.09991	0.4
200.20280	0.4
209.02835	0.4
225.05910	4.9
232.45872	0.5
275.07672	1.1
293.08893	3.2
343.17709	0.5
343.21237	2.1
387.11285	1.1
415.16083	3.0
457.17404	0.5
475.13068	2.5
475.21747	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	475.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41764	0.6
54.53266	0.6
55.01888	1.0
57.03452	16.4
57.52224	0.7
57.67537	0.6
58.00602	1.1
59.01384	100.0
60.01728	0.9
61.98841	4.4
69.03464	5.7
71.01387	25.4
71.48584	0.8
73.02960	10.8
83.01413	2.5
85.02961	7.7
87.00896	3.7
87.04523	7.4
89.02454	22.7
93.03447	0.6
95.01398	1.8
97.02961	0.7
99.00899	2.0
99.04528	10.3
101.02452	18.8
109.02994	0.6
113.02464	18.1
113.06101	0.9
115.04045	0.8
115.08769	1.4
116.92871	5.6
119.03522	9.2
123.04536	2.1
125.02452	4.5
125.09753	3.3
130.08748	5.0
131.03517	5.0
134.03757	2.8
135.04549	0.7
135.08144	1.6
137.02493	1.7
137.09740	13.9
141.01952	0.7
143.03502	2.5
149.04628	0.9
149.06093	0.9
150.03226	2.0
154.57300	0.6
155.10796	67.5
156.11118	1.9
159.03026	0.9
161.04573	10.1
165.05589	2.7
169.12379	3.0
178.02696	1.0
179.03432	0.7
179.05612	3.9
181.08716	3.0
193.05098	1.9
195.06612	1.4
197.08272	0.7
199.09781	31.1
200.10133	1.1
202.76474	0.6
213.11462	3.3
214.15733	1.7
219.02936	0.9
228.10333	2.2
233.54404	0.8
241.10820	11.5
253.18196	5.2
275.07800	2.9
281.06702	2.2
285.04099	9.5
286.04367	1.0
293.08740	2.3
301.12939	2.5
343.21140	1.3
361.14905	0.6
387.11923	2.3
415.22925	1.6
427.13629	1.0
457.02167	0.6
457.17310	0.9
475.18231	83.3
475.28220	6.1
476.18567	6.9
476.29239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04311	0.8
55.01873	2.1
57.03449	5.7
58.00600	1.2
59.01384	57.4
61.98823	3.1
69.03469	7.7
69.14189	1.6
69.14595	5.5
71.01388	25.2
72.99315	1.8
73.02953	7.8
74.02466	5.8
81.03460	2.0
83.01391	3.1
83.05033	2.4
85.02958	18.7
85.06606	0.9
87.00883	4.2
87.04517	5.4
89.02447	13.4
92.77814	0.8
93.03455	2.1
95.01400	3.8
95.05025	2.0
97.02956	2.1
99.00880	2.1
99.04527	3.8
101.02444	11.2
103.20653	0.8
105.01938	3.6
107.05044	1.9
108.02257	1.3
109.02982	1.1
111.04546	5.1
113.01711	1.9
113.02460	26.8
113.06118	1.0
119.03530	5.9
121.02998	1.6
123.04540	4.6
125.06105	1.9
131.03523	8.4
133.02956	3.9
133.05031	1.7
134.03807	5.6
135.04572	6.2
136.04893	1.5
137.02464	3.0
137.09779	7.8
139.03998	1.3
143.03545	1.0
149.04588	1.4
152.04790	1.1
153.05623	1.0
155.10794	53.7
156.11105	2.5
160.04152	1.2
161.02470	6.1
161.04590	2.8
162.02834	1.0
167.07170	1.5
169.12354	1.2
178.02711	2.6
179.03485	5.6
179.05663	2.1
180.03951	1.1
181.08800	1.1
190.05096	1.3
199.09763	28.6
213.11382	1.5
225.11357	2.5
241.10828	5.2
275.07742	35.8
276.08051	1.2
285.04077	1.3
286.08112	1.0
293.08765	5.0
313.09140	1.0
313.12860	2.2
314.10361	7.3
343.21317	10.5
415.23621	2.0
474.31140	1.3
475.18274	100.0
476.18976	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	475.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24398	0.5
67.13976	0.5
67.82697	0.6
92.96380	0.4
118.04309	0.7
132.02238	0.6
148.83981	0.5
161.02388	0.7
168.67896	0.4
185.06029	1.0
187.07782	0.5
189.01974	1.8
190.02689	2.4
190.97583	0.5
198.06898	1.2
199.07658	18.9
200.08096	0.8
201.05548	0.6
202.18980	0.5
203.03528	2.1
210.70151	0.5
216.07851	0.6
222.01775	0.8
225.05598	3.1
226.06422	1.2
227.07164	4.2
229.05064	6.3
230.05745	0.8
243.06621	26.7
244.07376	8.9
245.07617	0.6
312.13776	0.8
313.14468	100.0
314.14771	6.7
333.41150	0.5
385.90036	0.5
393.04459	0.7
400.28857	0.6
475.19760	30.6
476.20010	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	475.1974
Annotation	Platyphylloside
Peak:m/z	Relative Intensity
65.00302	0.2
69.41967	0.9
71.57307	0.2
71.85953	0.2
91.22509	0.2
93.22314	0.2
96.89117	0.2
98.22572	0.3
117.98870	0.2
118.04292	0.4
125.15542	0.2
131.86728	0.3
132.02177	0.5
145.02913	0.5
161.02461	0.7
162.03223	0.8
164.47739	0.2
172.09042	0.2
182.72147	0.2
185.06009	1.0
189.01930	2.0
190.02721	2.5
198.06865	1.3
199.07663	15.1
200.08179	0.9
203.03532	1.6
222.01697	0.6
225.05591	2.3
226.06390	1.0
227.07126	3.0
229.05067	5.3
230.05775	0.6
243.06619	18.6
244.07370	7.1
245.07886	0.7
276.06348	0.4
293.89743	0.2
312.13620	0.3
313.14465	100.0
314.14841	7.5
329.14047	0.4
445.15149	0.2
475.19690	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	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11266	0.7
55.01886	2.1
55.42866	0.7
57.03464	2.1
58.00596	1.2
59.01383	100.0
61.98840	1.5
68.99852	0.8
69.03468	2.4
69.47590	3.3
71.01385	75.2
71.92962	0.7
72.99326	3.1
73.02953	15.2
75.00871	1.2
81.03449	1.1
83.01402	5.1
85.02958	17.1
87.00880	7.5
89.02451	81.6
90.02792	0.9
93.03486	1.0
95.01411	2.9
95.05068	1.9
97.02962	3.6
98.21900	1.7
99.00881	7.7
101.02449	49.4
109.02978	1.3
111.00884	4.0
113.02460	20.5
115.04086	1.8
119.03516	13.2
120.99674	13.4
121.02984	1.1
123.00899	9.0
123.04554	0.9
125.02441	7.2
131.03514	27.5
131.04457	1.4
132.03860	1.0
135.04579	0.9
137.02502	1.3
138.03242	29.7
139.03601	1.1
143.03516	4.8
149.04567	38.2
151.04054	1.0
153.05591	63.7
153.09279	3.3
154.05956	2.5
161.02499	4.1
161.04564	8.9
163.04018	0.8
163.11287	1.6
167.03554	1.8
171.10362	1.7
175.04002	0.9
176.04845	1.7
179.03540	1.2
179.05655	5.2
181.12384	2.3
191.05682	12.3
191.07202	2.7
195.01291	2.5
197.04596	1.2
197.08246	5.4
199.09813	1.6
208.02223	0.9
209.02782	1.6
210.03624	3.1
211.13530	1.2
221.11842	1.2
225.05922	34.9
226.06262	1.6
229.14502	1.3
233.06718	5.2
239.13045	0.8
251.07471	0.9
266.69727	0.7
293.08890	4.8
312.84982	0.8
313.07452	4.9
325.16647	1.0
343.13522	1.0
343.17691	13.7
343.21454	16.5
344.17960	1.0
344.21802	1.2
359.13620	1.0
387.11295	6.7
475.13217	12.8
475.22122	71.5
476.13034	1.0
476.15906	0.9
476.22336	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96282	3.1
56.61908	3.2
59.01374	6.7
70.02344	4.2
70.02682	7.9
71.01392	19.1
76.55154	2.8
77.35566	2.8
81.73375	2.9
89.02460	5.7
93.94495	2.8
101.02475	5.5
101.03707	2.9
110.63653	3.8
140.64386	3.0
185.79297	3.4
277.21741	100.0
278.22134	7.1
279.23169	4.6
319.22763	12.2
349.24081	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	475.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.8
62.36184	4.2
62.45515	4.7
71.01370	18.7
72.85353	4.3
75.00881	7.9
78.95894	5.0
83.35274	4.2
89.02451	7.2
95.56043	4.1
98.22703	8.9
101.02412	5.1
104.16227	5.0
119.19644	4.3
176.46028	4.5
199.92441	4.9
206.38309	4.2
252.45174	5.0
277.21750	100.0
279.23141	9.0
297.45935	5.1
319.22757	17.5
349.23782	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	475.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37212	6.3
70.52689	2.4
77.74236	2.6
78.95914	100.0
81.48725	2.6
84.65675	2.4
84.89143	2.4
85.99637	2.2
96.96960	12.4
152.99603	16.7
171.00674	17.7
197.85651	2.4
243.64539	2.9
279.23355	4.1
327.44159	2.7
336.93365	2.8
418.18695	2.6
476.27853	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93853	28.7
58.22138	30.5
70.09866	66.5
71.44582	28.1
71.96587	32.1
90.97598	28.2
95.09715	26.2
97.08791	30.4
98.21904	31.9
129.70647	26.9
130.69768	28.3
141.35619	27.4
177.57310	26.6
197.93997	30.2
220.31723	27.8
277.21783	100.0
291.23178	43.9
316.99710	35.1
326.09872	27.2
443.01132	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01385	100.0
61.98829	3.0
69.14664	2.6
69.15068	3.5
69.29862	1.0
71.01386	22.9
72.99318	1.0
73.02965	1.8
74.02518	1.1
79.90883	0.9
83.01385	1.4
85.02960	3.0
87.00875	1.9
89.02449	34.5
90.17654	0.8
95.01390	2.1
101.02448	16.8
110.00847	1.3
113.02458	10.4
119.03513	15.6
121.03003	1.0
125.02418	1.0
131.03551	2.8
135.04585	1.7
137.09795	1.1
143.03545	3.0
148.04022	1.2
149.04616	1.6
155.10780	10.6
161.02452	1.2
161.04570	4.6
179.03505	0.9
179.05649	6.8
199.09743	7.8
283.18713	1.1
343.21283	3.5
415.23398	11.9
475.17856	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	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.0
59.01384	100.0
60.01731	0.9
69.35065	1.9
71.01388	5.7
73.02960	1.8
85.02951	1.5
87.00869	0.8
89.02454	4.1
93.07723	0.5
95.01400	0.6
99.00894	0.6
99.04530	3.7
101.02440	5.0
113.02480	1.9
119.03561	2.1
125.02494	1.1
129.02013	0.5
137.54225	0.5
140.47852	0.6
155.10818	3.0
161.04636	1.9
179.03542	0.6
179.05675	1.0
199.09856	1.7
241.10939	0.6
300.16852	0.5
343.21112	0.9
415.23572	1.2
433.07474	0.7
475.17255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40913	11.7
59.01383	27.6
63.45291	10.9
67.15227	10.8
70.11292	33.3
71.01400	20.5
78.95903	21.6
98.22543	13.6
113.02502	11.9
116.69782	10.9
121.03006	13.5
196.03828	12.9
243.19408	15.2
253.33540	12.2
277.21698	100.0
279.23291	26.5
319.22760	19.4
448.01569	13.7
451.27759	15.0
476.27975	12.7
491.54770	13.6
500.22443	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98830	17.5
70.95006	3.0
71.01366	13.0
73.02958	5.0
79.05551	4.2
85.02942	4.7
87.00864	4.8
89.02439	15.3
93.03460	8.1
101.02446	10.9
108.68679	4.0
112.98833	7.1
113.02482	7.2
118.98092	17.5
119.03471	4.6
121.02995	4.3
133.02953	7.2
134.65388	3.7
137.02431	5.2
137.09683	6.8
153.09184	3.9
155.10785	90.0
161.04506	6.5
199.09767	78.7
200.10139	4.7
299.92902	4.5
343.21210	7.1
415.23206	6.3
475.30817	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	71.1
60.01722	8.3
61.98841	26.0
69.11536	60.7
71.01393	36.2
73.02918	8.7
85.02980	8.7
87.00849	9.2
89.02469	31.6
98.21894	17.8
101.02469	22.6
103.03998	9.3
109.02979	11.2
119.03519	11.5
119.05061	18.4
130.60489	8.8
132.04553	24.2
133.03009	14.4
135.04556	69.4
136.04895	24.5
138.05583	12.2
153.01971	12.5
161.02463	27.0
162.02818	35.0
163.04036	10.6
179.03557	44.9
180.03902	27.3
191.05675	11.1
212.11763	8.0
307.10648	11.8
352.26257	8.6
476.13739	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	476.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62841	4.5
59.01386	56.1
64.11239	4.9
69.53709	24.1
71.01380	24.1
73.02925	9.0
85.02949	8.3
87.00882	7.2
88.98764	5.3
89.02451	23.4
98.76309	5.5
101.02459	17.1
116.34856	4.7
131.03531	5.6
132.04562	100.0
135.04521	15.2
139.07712	6.5
149.04468	7.3
161.04463	6.9
179.03526	12.6
263.38721	5.7
476.12766	35.0
477.19601	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	476.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
61.98828	1.2
69.42386	0.9
69.55669	1.9
69.56022	2.3
98.21976	1.8
101.36613	0.8
121.02987	1.2
133.02969	66.3
134.03316	1.8
147.03227	1.7
159.03299	1.0
165.05600	5.2
193.06572	1.4
194.06088	1.3
208.07684	2.8
209.06229	0.9
209.08484	3.2
210.05539	1.3
222.05568	1.2
224.07233	4.3
226.08725	3.0
234.05614	14.5
235.06409	8.1
236.07211	5.7
250.05109	7.5
251.05754	2.0
252.06667	32.6
253.07375	6.2
278.04605	20.7
279.05392	16.8
280.06161	33.8
281.06534	1.9
284.09311	12.0
285.09402	1.0
304.94586	0.8
310.07224	27.3
311.07913	10.1
312.08801	100.0
313.09085	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	13.0
67.29760	10.2
69.21769	11.0
72.96680	11.3
75.20080	10.7
80.73796	11.5
96.76537	12.2
100.57659	10.0
121.09579	10.4
130.03973	12.3
131.50375	11.1
133.02959	72.5
134.57007	10.6
146.02545	60.3
146.03546	11.0
180.64847	11.0
197.09381	10.6
234.05602	35.5
252.06691	90.1
278.04611	100.0
279.05209	25.1
280.06192	79.9
315.81497	14.2
358.16031	12.6
412.08069	30.7
444.11145	17.2
480.49289	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	476.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07319	0.6
57.03434	0.9
59.01080	1.4
59.01382	26.5
60.01730	0.6
61.98844	1.7
71.01390	10.5
73.02982	1.2
74.02489	3.2
83.01405	0.9
85.02957	3.0
89.02452	10.1
93.03465	1.7
94.01965	0.6
95.01381	1.3
95.05009	0.6
101.02447	8.2
105.03482	1.0
106.04256	3.0
108.02213	0.6
109.02966	2.0
111.00887	1.3
113.02483	3.0
117.03488	1.0
118.33259	0.6
119.03474	4.9
121.02971	4.4
125.02472	1.2
130.06633	0.8
132.02208	1.7
133.02968	63.8
134.03761	78.1
135.04546	38.2
136.04878	1.4
137.02454	24.6
139.04051	6.4
149.02454	0.9
150.03214	2.3
155.10780	1.6
159.03232	1.3
160.04056	68.4
161.02457	100.0
161.04572	2.9
162.02832	4.2
178.02718	18.3
179.03510	82.7
180.03828	2.8
187.26389	0.7
200.05449	0.6
211.07651	0.9
225.09209	5.9
252.10306	13.6
270.11389	1.2
279.67026	0.8
296.09314	6.3
297.09573	0.8
344.21451	2.0
345.22815	2.3
361.29086	0.7
413.52289	0.7
432.16672	6.1
454.82269	0.9
475.26746	1.3
476.15646	79.8
476.26797	2.2
477.16144	8.2
477.23102	1.1
488.23004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21098	0.5
67.75640	0.5
69.67645	0.5
69.74384	1.4
78.95909	39.2
80.98707	0.5
81.29470	0.6
96.96968	2.4
112.90540	0.5
122.00167	0.7
140.01207	5.3
152.99599	5.3
171.00648	3.0
196.03818	10.4
214.04863	2.0
279.23322	100.0
280.23639	6.8
372.11850	0.6
405.49930	0.6
476.27853	34.8
477.28125	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	476.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26338	0.6
61.98818	1.3
69.30315	2.9
72.95502	0.6
74.76869	0.5
78.95911	100.0
93.26096	0.6
96.96970	8.6
110.37660	0.6
133.19359	0.5
152.98357	1.0
152.99605	18.5
155.75706	0.6
171.00668	17.5
181.70065	0.5
214.04900	0.8
273.50284	0.6
279.20541	0.6
279.23386	2.6
402.23907	1.3
476.27856	55.3
477.28156	5.8
487.80014	0.7
497.81122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2786
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
58.83271	0.1
59.01366	0.5
60.08640	0.1
61.98838	0.2
62.99094	0.1
67.05994	0.1
69.85130	0.5
74.27326	0.1
78.95913	6.7
112.09981	0.1
122.00186	0.2
140.01213	2.1
152.99596	0.6
161.02431	0.2
196.03847	1.3
214.04869	3.0
246.34175	0.2
248.47658	0.2
261.22379	0.4
279.23306	100.0
280.23657	7.6
286.04541	0.2
476.27835	6.9
477.28168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0681
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
51.47961	0.3
55.19397	0.3
57.03458	0.6
59.01387	9.1
63.02402	2.6
64.90083	0.3
65.00330	3.3
69.03432	0.4
71.01390	7.6
72.81008	0.3
72.99317	0.8
73.02958	1.6
75.00871	0.5
82.49139	0.3
82.52734	0.3
83.01404	3.1
85.02969	2.4
87.00909	1.5
89.02452	6.4
91.01900	0.6
91.44759	0.3
93.03457	1.3
95.01398	0.6
96.96033	0.6
96.96966	0.6
99.00892	1.4
101.02466	2.5
103.00426	0.7
107.01405	8.3
108.02198	0.4
109.02961	5.3
113.02457	3.1
115.03954	0.4
119.01404	0.4
119.03499	0.3
121.02966	6.9
125.02448	2.0
131.03516	1.1
134.03804	0.4
135.00914	0.9
135.04546	1.7
137.02438	0.5
139.04042	0.8
147.04475	0.5
148.01726	0.6
149.02455	1.1
149.04614	1.6
151.00389	29.1
152.00691	0.6
152.59160	0.3
155.10725	0.6
157.06635	0.3
159.04509	0.5
161.02478	0.5
161.04552	0.7
161.06104	0.3
163.00381	4.8
164.01155	0.6
165.01941	0.6
166.19232	0.3
167.05023	0.5
169.01431	1.2
171.04680	0.3
171.10263	0.5
175.02484	1.6
175.03952	0.6
178.99887	12.0
179.03493	2.3
183.04539	1.1
183.10336	2.7
185.06087	0.7
187.04024	0.7
190.99881	0.4
191.05658	1.1
192.00655	0.4
193.01399	0.5
199.04071	0.5
199.09814	0.4
201.05600	1.2
201.11383	2.3
203.03462	0.7
211.04070	2.2
212.04639	0.4
213.01877	0.5
226.00287	0.3
227.03564	2.8
228.04393	0.6
229.05072	1.9
231.02769	0.4
233.06702	1.0
239.03517	0.9
243.03044	0.6
245.04523	3.6
253.18172	0.6
255.03000	4.7
256.03519	0.6
257.04648	0.4
266.02246	0.5
271.02548	1.1
271.19302	0.3
273.04053	2.3
283.02451	2.3
284.03165	0.4
293.08823	2.3
297.17062	0.8
299.18515	0.4
300.02859	0.6
301.03568	100.0
302.03906	6.5
345.22888	6.5
477.06812	11.5
477.19186	3.2
477.23978	2.5
478.07092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
57.03443	1.8
58.00572	1.0
59.01386	63.0
61.98835	2.0
68.99819	2.2
71.01384	31.6
71.43212	1.0
72.99329	5.8
73.02959	9.9
75.00864	1.9
76.67937	0.9
80.05049	6.9
83.01386	3.8
85.02956	9.7
87.00889	5.1
88.98824	1.8
89.02449	27.3
93.03450	1.4
95.01396	2.5
99.00888	2.1
99.96606	0.9
101.02451	23.5
104.05070	1.9
105.01960	2.6
106.06620	2.1
107.05035	1.3
113.02452	12.7
119.03522	8.3
121.02944	1.9
122.06155	6.8
125.02494	1.1
125.63477	0.9
130.08716	1.7
131.03499	3.1
132.04564	31.7
133.02924	1.3
134.06133	36.4
135.04562	3.3
137.52258	1.0
143.03497	1.3
143.05142	1.2
146.06158	1.3
147.02980	2.5
149.02444	0.9
149.04582	3.5
150.05621	48.4
151.06065	1.3
152.07222	2.3
158.06184	1.1
159.04538	10.2
161.04558	5.7
162.05605	3.1
165.04099	11.5
167.04988	2.2
167.08719	3.1
171.04541	1.4
172.05304	1.3
176.07147	1.6
177.06947	1.1
179.03513	1.2
179.05713	1.6
179.08675	2.8
181.06459	1.8
183.04584	1.1
191.05658	1.6
193.06671	1.5
195.04585	1.3
195.08188	4.4
197.06117	3.5
198.06952	1.8
199.07646	3.8
204.05820	1.2
205.06516	1.9
208.05339	2.3
209.06117	3.7
210.03297	1.8
211.04013	66.2
212.04510	3.8
212.08264	0.9
213.05650	7.9
213.09242	3.2
221.06110	3.3
222.06918	3.1
223.07616	18.9
224.04872	2.3
224.07899	2.3
225.05589	24.9
226.06357	41.5
227.06740	1.4
235.08615	1.1
239.07123	1.3
241.08713	71.2
242.09007	4.3
251.08311	1.7
251.11818	1.9
267.06699	14.2
267.09515	1.3
269.12997	4.2
279.11389	40.9
280.11835	1.4
285.07690	25.0
286.08035	1.6
293.08813	1.2
297.12482	26.3
299.13931	1.5
301.03610	1.4
314.12457	7.5
315.13223	1.4
329.06677	100.0
330.07050	7.6
345.06445	1.9
345.10886	4.1
345.19199	6.6
368.88455	1.2
415.16339	1.2
459.17813	27.6
460.17499	1.8
477.10437	51.7
477.18765	92.5
478.10962	5.3
478.19064	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.2
61.98833	1.6
69.06402	3.1
69.06808	3.3
75.63835	0.9
83.01400	1.2
98.21811	1.5
125.02480	1.7
135.04507	2.2
151.00383	2.6
175.04143	1.2
179.03535	1.8
181.40088	0.9
183.10281	1.0
183.35419	0.9
199.04012	3.7
201.01953	2.1
215.03523	3.5
227.03474	4.1
242.02243	9.5
243.02983	36.1
244.03345	1.0
257.04645	9.1
270.01764	8.9
271.02496	40.7
272.02933	1.4
281.35950	0.9
285.04068	20.3
286.04733	6.8
299.01950	9.1
300.02792	4.9
314.04352	40.4
315.01541	2.1
315.04996	10.8
316.02261	1.0
330.03864	1.6
331.04596	3.3
357.06088	1.7
477.10416	100.0
478.10812	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	477.1043
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
57.03460	1.0
57.44929	0.6
59.01388	22.3
61.98831	1.5
65.00309	0.8
69.03461	0.7
71.01391	14.5
72.99328	1.1
73.02959	4.5
73.89957	0.6
75.00908	0.6
77.63622	0.7
80.83602	0.6
81.03468	1.2
83.01407	1.5
85.02939	4.4
87.00888	2.6
88.98797	0.7
89.02463	11.7
93.03426	0.8
95.01371	1.3
95.05052	0.8
96.95987	0.6
99.00896	4.8
101.02452	6.9
104.29666	0.6
107.01429	1.5
107.05048	0.7
108.02184	47.2
109.02971	24.5
110.03333	0.7
113.02442	3.1
117.03466	1.2
119.03525	1.3
121.02997	4.3
123.04532	0.9
125.02457	2.0
130.98227	0.7
131.03545	4.2
133.02975	26.8
134.03676	2.0
135.00926	1.5
135.04543	14.4
137.02466	1.3
148.04042	1.0
149.04567	2.4
151.00359	5.4
151.04008	1.8
152.01173	61.3
153.01964	21.3
153.05597	1.1
155.10707	1.0
161.02469	71.1
161.04619	2.1
162.02788	2.5
163.04030	1.4
165.01971	1.7
165.04034	0.7
165.05566	0.7
165.09166	1.2
166.05113	1.2
177.01830	1.0
177.05611	1.1
178.02722	0.9
178.99881	2.2
179.03506	9.2
183.10292	0.8
191.05589	3.1
193.05159	1.0
197.11864	0.9
201.11276	1.2
207.53798	0.6
221.04781	0.8
253.18257	0.7
255.03157	1.7
270.07538	0.9
271.19214	1.1
300.09763	0.9
301.03571	16.0
301.06555	0.6
302.04205	1.1
315.07263	40.4
315.12479	1.9
316.07629	1.8
323.07761	1.8
344.21674	1.1
345.22864	8.5
353.74051	0.7
433.11313	4.6
477.10364	100.0
477.19754	30.1
478.10684	7.9
478.17407	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	477.1408
Annotation	Macrophylloside C (Hydrangea)
Peak:m/z	Relative Intensity
52.16353	0.6
57.03439	1.9
59.01384	28.8
61.98837	6.7
62.01642	0.7
63.96220	0.6
69.62180	2.6
71.01393	11.0
72.99326	1.2
73.02945	1.7
80.67342	0.7
85.02966	2.9
87.00862	1.1
89.02454	9.4
95.01437	0.7
96.96011	0.7
99.04530	1.1
101.02464	6.9
109.02977	1.6
113.02450	3.5
119.03494	3.7
120.99666	100.0
121.02978	1.6
125.02434	1.1
133.02953	0.9
134.03673	0.8
135.04568	1.2
136.01785	0.8
137.02460	1.3
150.03232	0.7
151.04039	1.6
155.10794	0.9
161.02466	2.2
161.04628	0.9
163.04059	0.8
175.04054	3.8
176.04910	1.4
190.02618	1.1
190.06354	1.1
195.06686	0.9
210.03226	1.3
211.04007	1.2
211.07689	2.4
212.08226	0.7
219.06615	1.6
221.06134	2.4
222.05316	1.3
225.05678	1.0
226.02675	2.2
235.17004	1.0
236.04872	2.0
237.05586	7.5
238.06369	43.3
239.03522	1.7
239.06725	3.2
240.04185	0.9
241.05083	6.1
243.06664	2.1
249.05583	2.2
251.03517	0.7
253.01399	3.3
254.02226	2.1
255.02946	1.7
255.06586	2.0
256.07407	13.9
257.07739	0.9
266.02261	3.1
267.02881	3.5
267.06607	1.5
269.17661	1.5
271.09784	36.9
272.10083	2.8
281.48541	0.7
282.02167	1.4
282.05368	6.9
283.02466	2.5
283.05594	1.0
283.68707	0.7
294.01831	1.1
295.02521	5.8
296.03180	1.6
296.06540	0.9
297.07709	31.2
298.08014	2.0
300.02698	1.4
315.05338	1.5
315.08737	23.3
316.09210	1.5
323.02017	2.1
325.11087	0.7
326.04260	1.8
327.05103	2.1
355.11948	9.2
357.09793	1.6
358.04764	1.0
386.04413	2.5
399.05249	2.0
400.06042	1.1
404.05582	1.1
417.06339	3.4
417.11639	1.0
417.25067	1.5
427.04709	2.1
428.05347	1.3
445.05618	3.7
459.07327	1.6
477.07245	0.8
477.13766	15.5
477.24243	1.9
478.14142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01386	7.2
61.98825	1.1
69.52391	0.4
70.77720	0.6
71.01389	13.2
72.87778	0.5
72.99335	0.8
73.02947	3.3
75.09029	0.5
75.43461	0.5
85.02966	1.8
87.00880	1.4
87.04527	1.8
88.98811	3.6
89.02448	3.7
99.04539	1.4
101.02446	2.8
113.02453	3.3
115.00387	9.0
125.02457	0.8
131.38011	0.5
133.02975	0.7
135.04501	1.3
135.08174	1.0
137.09732	8.5
139.11287	0.6
145.89844	0.5
149.04530	0.6
153.09196	0.8
155.10796	82.3
156.11128	2.6
161.02449	2.1
161.04594	1.1
169.12337	1.0
171.10281	1.8
181.08685	0.9
183.10255	1.6
199.09772	100.0
200.10088	4.7
201.11411	0.8
213.11365	0.8
229.14426	0.5
241.10867	3.6
244.95776	0.6
285.03998	1.1
301.12827	1.8
315.10782	0.9
343.21695	0.6
345.22784	9.1
361.15140	9.3
362.15051	0.8
410.22476	0.6
475.99377	0.5
477.17227	1.7
477.23532	2.0
504.65689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
57.03453	1.2
59.01384	100.0
61.98831	2.6
62.37361	0.9
69.53747	2.1
69.54128	3.4
71.01390	14.2
72.69165	0.8
73.02957	5.1
75.00899	2.4
80.91692	4.3
82.88227	0.9
83.01409	2.3
85.02950	6.3
87.00860	1.0
89.02457	8.7
95.01377	1.1
101.02442	8.3
101.06069	1.2
111.04512	1.1
113.02448	5.1
119.03513	2.3
120.82082	1.0
121.02966	14.1
125.02446	1.2
133.05092	2.8
135.04518	2.7
138.05597	1.3
141.00536	1.9
149.04581	1.7
157.05113	1.6
159.02989	1.6
161.04584	16.2
166.06363	77.3
167.06728	2.6
181.08720	99.9
182.09004	4.7
191.05423	1.0
235.08185	9.0
236.08478	0.9
236.40074	0.9
266.99979	0.9
273.04568	1.2
345.15463	4.5
417.17508	7.0
473.41611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52222	0.6
55.01883	1.1
55.41547	0.7
57.03439	2.8
59.01388	24.9
59.83735	0.7
61.98821	2.8
69.03465	4.9
71.01388	12.1
71.05026	2.2
73.02951	7.2
75.00867	0.8
83.01414	1.9
83.05013	2.9
85.02969	3.7
87.00871	4.1
89.02454	9.6
91.39559	0.7
95.01350	0.9
95.05044	0.8
96.95991	1.2
97.06577	0.8
99.00867	2.2
101.02454	10.8
112.98775	0.8
113.02462	3.9
114.84096	0.7
115.00328	0.9
119.03517	1.9
121.03002	1.7
123.08134	1.0
125.02437	0.9
125.09674	2.9
131.03561	1.1
133.02882	1.4
135.04520	2.4
137.09666	1.0
143.03461	1.0
148.04158	0.9
149.04509	1.4
151.11229	2.3
153.09177	3.0
153.12823	2.1
155.10837	0.9
156.70093	0.7
161.02341	2.1
161.04536	2.7
161.09712	3.1
168.02916	1.1
169.03273	0.9
171.10217	3.3
175.83330	0.7
177.01959	1.6
179.03500	2.2
179.10789	7.0
191.05557	1.1
192.33513	0.7
197.11847	77.8
198.12201	4.1
201.11293	3.4
223.09721	1.4
225.24774	0.7
235.17050	1.4
241.10815	6.8
253.09332	3.8
253.17995	2.5
255.15993	3.1
257.17517	1.2
271.19055	3.1
301.03534	1.2
316.11697	1.0
329.06497	1.6
345.22864	34.3
346.23047	2.9
359.68311	0.8
417.21069	1.0
435.21976	0.9
447.17987	0.9
477.19598	100.0
478.19974	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	477.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52172	1.0
53.66966	1.0
57.03437	2.2
57.38924	1.1
59.01385	34.6
60.01691	1.0
60.99300	1.5
61.98821	1.8
69.03474	2.0
71.01391	20.3
71.05035	1.7
71.32316	1.9
72.01778	1.2
72.99322	1.4
73.02958	6.4
75.95925	1.0
83.01402	1.9
85.02963	5.6
85.06625	1.7
87.00881	8.1
87.04514	3.2
88.98808	5.5
89.02459	21.0
97.02967	1.1
99.00905	2.7
101.02455	11.5
103.00379	1.8
112.98825	2.6
113.02470	6.9
115.07652	2.3
119.03534	3.9
125.02483	2.1
125.09713	1.3
127.11311	2.1
131.03494	4.4
134.06143	1.3
135.04593	2.1
137.09769	1.5
139.11314	2.0
149.00874	1.1
149.04579	5.6
155.10843	7.7
161.04538	3.6
168.03032	1.4
169.12347	2.7
171.10326	5.2
175.11165	1.2
179.03534	2.3
179.05630	3.3
183.10306	14.5
183.13925	5.4
185.01265	1.1
191.05551	2.2
193.05066	1.2
194.55679	1.4
195.13919	1.7
197.11766	1.3
199.09731	9.7
201.11365	4.3
211.13422	14.0
227.09663	1.5
229.14481	14.0
235.16986	1.8
241.11192	2.0
253.18068	4.7
271.19147	5.4
293.08600	1.5
296.11511	1.5
297.17157	3.6
297.73120	1.1
309.20709	1.6
328.37842	1.3
345.22861	100.0
346.23187	6.8
434.63364	1.2
477.18100	9.4
477.24380	19.5
478.24020	1.9
478.30435	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	477.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68029	41.7
58.30641	45.7
59.72248	36.7
61.98819	43.4
78.95921	100.0
84.31509	50.5
98.22723	71.3
128.83771	56.1
138.72763	41.7
156.44669	43.0
167.28101	40.8
194.08722	54.6
261.30716	46.7
279.23407	73.0
281.24686	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87972	40.6
57.27388	34.9
59.01395	42.9
69.75321	99.3
69.75719	83.5
78.95916	50.5
98.22624	54.2
137.62531	48.3
242.29471	44.7
418.42899	46.5
478.29340	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	478.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01381	24.1
60.01699	1.6
61.98833	100.0
69.14877	5.7
71.01395	9.5
73.02918	2.2
74.02454	0.8
83.01394	1.3
85.02975	4.2
89.02438	4.1
93.03439	1.1
95.44243	0.8
101.02476	5.0
106.06588	1.4
107.79675	0.9
108.02129	1.1
109.02961	9.4
111.00871	3.0
113.02464	3.3
118.98059	1.0
119.03530	1.8
121.02979	0.9
122.03683	1.0
122.06136	1.3
123.04527	5.3
125.02455	2.9
131.03764	1.8
133.02917	0.9
134.06148	8.9
135.04527	3.0
137.02454	3.9
138.05586	2.2
149.02443	1.3
151.04002	5.0
161.02402	3.2
161.04567	3.5
162.04871	0.9
163.03952	1.9
165.01917	1.0
167.03516	1.0
177.01888	1.9
178.05096	4.9
179.03493	2.4
189.04276	1.3
190.05078	8.1
192.06622	1.4
251.11801	1.1
259.96307	0.8
285.04037	2.6
289.07217	1.7
296.03061	1.1
297.03760	1.0
301.03177	1.3
317.10309	1.8
392.64316	0.9
418.25339	4.8
426.09454	1.0
433.65750	1.5
447.07593	4.2
455.65689	13.2
456.10159	0.9
456.15829	11.4
456.65741	1.9
478.23981	2.3
479.32443	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	478.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.1
59.28099	0.8
60.01713	0.9
61.98837	100.0
63.86754	0.8
64.90875	0.8
71.01376	4.6
71.41924	1.1
73.02964	0.9
85.02962	1.7
88.62012	0.8
88.71576	0.8
89.02456	2.0
97.70584	0.9
101.02436	3.4
101.86493	0.9
113.02479	1.0
131.03484	0.9
133.02870	1.4
134.05937	0.8
135.04572	1.1
145.28905	0.9
146.02487	1.2
161.04553	1.1
163.24930	0.9
255.02966	2.4
256.03485	1.1
272.02939	1.5
280.14597	0.9
300.02725	1.4
301.03064	3.3
315.05130	1.4
316.05298	3.7
346.19638	1.1
385.08459	1.0
478.24136	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	478.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82272	0.7
59.01387	9.4
61.98836	6.2
70.58675	1.9
71.01388	4.5
73.02948	1.2
73.04077	14.7
74.02473	5.2
77.95894	0.9
83.02525	2.1
85.02930	1.7
85.04110	1.5
87.00877	1.1
87.05654	1.0
88.98793	2.9
89.02471	5.5
91.05531	1.1
93.03459	3.0
95.02508	3.8
99.02014	2.7
101.02430	3.4
104.03522	1.1
111.60916	1.0
112.05174	23.2
113.02450	1.8
113.03578	7.7
116.05041	4.1
116.07188	35.4
119.03519	1.0
127.08784	2.0
130.06236	56.7
131.04916	1.5
132.04578	1.5
134.06122	1.1
136.01659	1.0
137.02454	4.0
138.03178	1.1
139.07635	2.0
148.24376	0.9
149.04599	1.2
149.05998	1.5
150.03246	2.6
150.05563	1.6
151.03996	1.0
151.05984	1.3
158.06036	0.9
165.05576	1.7
168.07913	1.0
169.07320	26.7
182.02229	1.8
186.05592	7.2
187.08371	6.9
191.05563	1.2
195.06535	0.9
197.04510	2.5
197.57249	0.9
202.12379	8.9
203.08174	1.2
230.08215	1.0
263.13995	6.6
279.12265	1.6
280.11948	2.0
281.06589	1.7
287.09396	1.0
310.08289	0.9
317.12637	1.8
320.16174	1.8
347.17163	5.6
400.14313	1.2
434.20456	100.0
435.20831	8.3
443.63892	0.9
448.15689	1.1
471.18579	1.0
478.23605	21.7
479.11923	3.4
479.22690	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	478.9519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
69.32787	2.7
78.95901	0.8
79.95732	0.6
96.96028	6.5
98.22643	1.0
111.02016	0.6
134.96097	11.1
136.94031	44.5
137.94147	2.3
151.92722	1.3
152.91786	15.1
167.02023	1.1
167.90495	1.0
178.95087	83.5
179.95155	4.2
192.95880	0.7
194.92836	36.5
196.96106	0.9
210.90880	1.3
212.93913	2.6
221.95403	0.6
250.93910	1.4
252.91823	2.7
276.97534	0.9
277.36810	0.6
278.95236	0.8
292.94971	6.4
294.92969	12.9
295.92935	0.5
320.96216	10.8
321.96542	1.2
336.83487	2.2
336.94003	100.0
337.33612	1.0
337.94144	8.0
357.70294	0.6
377.29749	1.1
377.79498	1.1
378.84323	0.9
425.79471	1.0
426.29453	0.7
449.85245	1.0
478.95691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07674	0.7
57.03447	0.7
59.01389	8.7
61.98818	0.8
63.45168	0.6
64.05162	0.7
71.01086	0.6
71.01394	6.6
71.24782	0.7
72.99315	0.7
73.02938	1.0
73.93218	0.7
75.67218	0.8
78.79549	0.6
83.01402	1.0
85.02938	2.5
88.21716	0.6
88.98774	0.8
89.02449	4.1
93.03438	1.6
95.01413	1.1
97.02957	1.4
99.00881	1.0
101.02464	4.6
104.50957	0.7
107.01378	2.6
108.02189	0.6
109.02933	1.5
111.00887	1.7
113.02461	2.0
120.99655	1.9
121.02960	3.4
123.00889	4.5
123.04507	2.0
124.00987	0.7
124.01675	8.0
125.02464	17.9
131.03477	0.7
135.04514	1.4
136.01653	1.6
137.02451	3.5
138.03236	1.3
139.00375	0.7
139.04050	1.3
140.01144	1.4
141.01968	0.7
145.02925	1.1
148.01620	0.9
149.02425	5.3
149.04584	1.3
150.03270	1.1
151.00369	1.5
151.03998	2.8
152.01099	1.7
153.01929	0.9
155.10754	1.2
159.04543	0.8
161.02519	3.8
161.04529	1.2
161.40059	0.7
162.03249	2.6
163.03943	1.1
164.01172	6.0
165.01944	7.3
166.02705	2.6
167.03433	2.1
168.00700	4.5
169.01422	11.1
177.01923	2.0
178.02676	1.3
178.99855	3.1
179.03506	1.9
183.03014	1.9
183.10223	1.3
185.08121	1.0
189.01965	1.1
190.02722	4.1
191.03462	2.4
192.00664	65.9
193.01424	87.7
194.02072	6.8
195.02994	1.8
205.01375	2.7
206.02229	3.7
207.02995	14.5
211.02489	11.6
221.00891	3.2
222.01654	1.8
223.02423	1.6
234.01691	8.7
235.02467	8.2
249.04018	3.7
261.54037	0.7
271.04633	5.4
289.07156	2.3
293.08844	1.2
295.04590	1.0
299.18652	1.0
312.04828	5.9
313.05667	9.5
317.06662	10.2
317.12286	0.9
327.07211	6.5
347.17001	1.9
398.96164	0.8
464.05923	1.9
479.08264	100.0
479.24933	4.9
480.08740	8.2
501.05106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0835
Annotation	11-o-Galloylbergenin
Peak:m/z	Relative Intensity
55.07674	0.7
57.03447	0.7
59.01389	8.7
61.98818	0.8
63.45168	0.6
64.05162	0.7
71.01086	0.6
71.01394	6.6
71.24782	0.7
72.99315	0.7
73.02938	1.0
73.93218	0.7
75.67218	0.8
78.79549	0.6
83.01402	1.0
85.02938	2.5
88.21716	0.6
88.98774	0.8
89.02449	4.1
93.03438	1.6
95.01413	1.1
97.02957	1.4
99.00881	1.0
101.02464	4.6
104.50957	0.7
107.01378	2.6
108.02189	0.6
109.02933	1.5
111.00887	1.7
113.02461	2.0
120.99655	1.9
121.02960	3.4
123.00889	4.5
123.04507	2.0
124.00987	0.7
124.01675	8.0
125.02464	17.9
131.03477	0.7
135.04514	1.4
136.01653	1.6
137.02451	3.5
138.03236	1.3
139.00375	0.7
139.04050	1.3
140.01144	1.4
141.01968	0.7
145.02925	1.1
148.01620	0.9
149.02425	5.3
149.04584	1.3
150.03270	1.1
151.00369	1.5
151.03998	2.8
152.01099	1.7
153.01929	0.9
155.10754	1.2
159.04543	0.8
161.02519	3.8
161.04529	1.2
161.40059	0.7
162.03249	2.6
163.03943	1.1
164.01172	6.0
165.01944	7.3
166.02705	2.6
167.03433	2.1
168.00700	4.5
169.01422	11.1
177.01923	2.0
178.02676	1.3
178.99855	3.1
179.03506	1.9
183.03014	1.9
183.10223	1.3
185.08121	1.0
189.01965	1.1
190.02722	4.1
191.03462	2.4
192.00664	65.9
193.01424	87.7
194.02072	6.8
195.02994	1.8
205.01375	2.7
206.02229	3.7
207.02995	14.5
211.02489	11.6
221.00891	3.2
222.01654	1.8
223.02423	1.6
234.01691	8.7
235.02467	8.2
249.04018	3.7
261.54037	0.7
271.04633	5.4
289.07156	2.3
293.08844	1.2
295.04590	1.0
299.18652	1.0
312.04828	5.9
313.05667	9.5
317.06662	10.2
317.12286	0.9
327.07211	6.5
347.17001	1.9
398.96164	0.8
464.05923	1.9
479.08264	100.0
479.24933	4.9
480.08740	8.2
501.05106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33583	2.4
59.01386	77.3
61.27467	2.4
61.98839	51.9
62.42223	2.5
69.54333	8.4
71.01382	45.2
72.99322	2.7
73.02940	4.8
75.00879	3.9
85.02952	10.5
87.00850	4.0
89.02451	49.9
93.03473	4.5
93.15222	2.8
99.00925	2.4
101.02458	23.5
106.99091	4.6
111.00947	3.5
112.60789	2.4
113.02407	13.3
119.03484	12.4
123.04541	2.9
125.02436	4.2
131.03520	4.7
132.91542	2.5
135.04443	3.4
143.03517	3.2
146.07126	2.7
149.04524	13.5
153.01945	55.9
157.48332	2.3
161.04630	6.1
166.06366	5.3
168.04305	71.7
179.05606	25.4
181.08736	6.8
182.09084	3.9
191.05626	9.3
245.44812	3.2
287.09192	3.5
310.01193	5.5
310.04636	100.0
310.08249	4.8
317.10468	3.6
345.14398	5.8
386.23114	3.2
479.21548	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	479.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20645	2.0
57.62566	2.0
59.01384	9.9
60.99316	14.0
71.01366	4.5
83.98367	2.2
85.93206	1.8
87.00880	10.1
88.00414	6.5
88.98813	90.2
89.02451	100.0
90.85033	2.1
96.75925	1.9
113.02506	2.4
123.97424	2.0
129.48129	2.0
132.50502	2.1
189.48361	2.3
264.99936	2.1
346.58221	2.1
417.46829	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	479.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.3
57.03444	3.7
58.43831	2.9
59.01387	80.8
59.05421	2.8
61.98831	10.4
69.70747	3.0
69.71934	5.1
71.01390	75.3
71.20171	2.4
73.02969	14.0
75.00877	4.2
79.01915	12.6
81.03419	3.6
81.20521	2.8
83.01398	11.2
83.93916	2.4
85.02966	33.5
87.00882	9.5
89.02457	47.8
95.01400	10.0
96.47484	2.4
96.96030	5.7
97.02985	6.1
99.00883	9.4
101.02454	59.2
111.00904	12.8
113.02466	46.8
119.03506	20.4
125.02456	8.4
129.01958	3.6
131.03493	3.3
132.04587	3.2
133.61287	3.2
135.04478	3.9
139.00400	12.1
140.01175	100.0
143.03506	9.6
149.04544	3.4
155.03520	75.5
156.03891	3.5
161.04565	34.9
173.44705	2.8
177.72945	2.5
179.05611	8.2
190.23578	2.7
218.01883	2.9
317.08786	40.6
323.09827	6.2
381.10065	3.7
479.14157	41.5
480.14374	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	479.1563
Annotation	Paeoniflorin
Peak:m/z	Relative Intensity
51.78719	1.1
57.03459	2.1
59.01385	14.0
59.21922	1.0
61.98838	1.3
66.71924	1.0
69.74946	3.7
71.01385	17.3
72.99328	1.4
73.02948	4.4
81.03440	2.1
83.01393	3.2
85.02959	4.4
85.06592	12.1
87.00874	3.6
88.58376	1.0
89.02459	10.1
95.01400	1.9
97.02955	3.4
99.00883	2.1
101.02454	10.9
101.95042	1.0
107.01385	1.2
107.90838	1.0
108.02180	44.2
109.02969	7.6
111.00873	3.8
113.02425	6.3
113.06094	3.3
115.03992	2.6
119.03466	1.5
121.02927	3.4
122.03787	1.3
123.00894	27.1
123.04533	21.6
124.01685	15.0
125.02465	8.8
130.06650	6.6
131.03526	3.3
135.04509	1.6
136.01682	13.6
137.02490	1.2
143.03540	3.5
146.06143	1.3
147.00883	5.9
148.01672	4.9
149.02399	1.5
149.04552	4.1
150.03220	4.5
151.00380	1.7
152.01247	1.3
153.05571	1.6
161.04568	4.4
162.03232	4.1
163.04013	11.6
165.01926	2.3
174.05638	7.8
175.03951	1.6
177.86528	1.0
178.99780	1.5
189.07751	1.9
203.07162	1.7
232.96564	1.1
245.08090	2.0
257.04480	4.8
271.06036	3.7
272.06882	26.8
273.07391	1.2
285.04041	2.4
285.26199	1.1
287.09262	82.8
288.09628	5.7
289.07123	9.4
305.08701	1.2
306.78116	1.1
308.14630	1.1
313.07196	1.6
317.10300	100.0
318.10666	7.8
323.09857	12.0
347.17206	6.4
449.14709	2.2
479.15469	2.7
479.21283	9.0
480.21548	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.3
61.98830	0.9
66.74509	0.5
69.71051	0.9
71.01392	4.2
72.99294	0.5
73.02943	1.3
75.00867	2.0
77.03958	1.1
83.01405	0.5
83.28858	0.4
85.02952	1.7
87.00888	0.8
89.02441	5.0
91.70369	0.5
95.01411	0.5
99.00877	0.8
101.02453	3.7
108.02178	1.2
109.02980	0.9
113.02425	1.3
118.06642	11.7
119.03499	1.1
123.00888	0.6
123.04546	0.8
125.02456	0.6
125.09618	0.4
130.26462	0.4
131.03520	0.8
133.02939	0.6
135.04533	5.0
136.01642	0.6
136.04039	3.4
136.07692	0.7
137.02467	1.2
149.02473	0.8
149.04587	1.2
151.04019	0.7
161.04594	1.5
162.05621	100.0
163.05957	3.0
165.05629	0.5
179.03351	0.5
191.05568	0.7
201.17039	0.4
272.06888	0.6
281.09494	0.8
287.09268	2.0
299.10324	3.2
317.10245	2.4
335.19043	0.4
335.93674	0.5
347.07825	1.0
347.17160	1.8
377.22913	0.4
442.10056	0.5
479.16446	1.4
479.22116	3.1
490.39383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64574	0.3
59.01389	3.1
61.98833	0.8
69.37801	1.3
71.01379	1.6
72.00917	11.2
75.00908	0.4
85.02959	0.3
87.00884	0.3
88.98789	0.3
89.02455	1.7
91.05535	1.0
93.03444	0.4
95.63361	0.3
98.21895	0.6
101.02452	1.2
103.05539	0.8
113.02452	1.3
115.04042	0.8
119.03484	0.8
125.02524	0.3
131.03465	0.4
137.02440	0.5
147.04538	37.4
148.04834	1.4
153.01924	0.4
161.04578	0.8
164.07181	100.0
165.01978	1.0
165.07532	3.8
166.07753	0.3
179.05573	0.3
180.04301	0.8
195.06638	2.2
205.59875	0.3
293.08902	1.1
315.05728	0.4
322.06024	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	479.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.8
57.03451	4.5
58.00583	1.2
59.01385	100.0
59.01662	3.7
59.01805	2.8
61.98804	1.3
69.03431	3.7
69.09988	5.4
71.01389	88.3
71.04989	1.1
72.01703	0.8
72.99311	6.4
73.02954	28.5
75.00853	1.9
81.03414	2.4
83.01398	9.2
85.02963	28.1
86.00101	1.1
87.00883	7.7
89.02454	82.3
93.03407	1.6
95.01392	3.8
97.02940	5.6
97.63991	0.8
99.00288	0.8
99.00890	14.4
99.04453	1.2
101.02456	68.0
111.00905	13.0
113.02465	21.4
115.04005	5.6
117.13225	0.8
119.03540	8.0
120.50009	0.8
125.02470	11.3
128.01068	1.2
129.01924	1.2
130.54277	0.7
131.03526	29.4
135.04439	3.4
137.02347	2.4
143.03490	7.3
149.04572	49.2
150.03134	1.7
155.10698	2.3
159.02910	1.9
160.03987	1.4
161.04568	8.3
165.05518	1.8
169.13696	0.8
173.04402	0.9
185.11896	5.9
191.05627	15.0
199.09668	1.8
199.46512	0.8
203.05571	1.0
215.05528	1.1
221.06381	0.9
233.06670	14.4
251.07524	0.9
268.10193	0.9
275.07635	1.2
281.06577	0.9
293.08795	6.1
299.08978	1.0
299.18375	1.8
317.19418	1.3
329.15759	2.9
347.17145	40.1
348.17258	1.3
435.20337	1.0
479.20865	87.2
480.20865	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	479.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20096	1.3
57.03456	1.7
59.01382	10.8
61.98824	1.6
64.51046	1.1
65.86754	1.2
69.34649	6.5
71.01035	2.0
71.01389	29.6
71.02498	5.2
73.02921	2.5
73.04073	8.3
83.01381	1.6
85.02932	1.9
88.04054	24.7
89.02428	3.2
89.26567	1.2
93.03384	1.8
95.01414	1.4
99.00900	6.0
99.01975	1.3
101.02407	4.5
103.05122	4.7
110.03638	2.4
112.07701	1.2
113.02411	3.0
114.01943	2.2
115.00378	39.5
116.05048	4.1
119.03487	1.4
121.02915	1.3
129.10359	16.0
132.02127	1.6
132.03030	22.1
133.02931	3.1
135.04486	4.0
139.08713	2.3
141.10297	1.6
146.06161	7.3
147.04514	1.9
147.49930	1.2
151.08727	3.7
153.10286	1.8
161.02528	6.4
161.04521	1.4
163.08730	2.5
163.11264	2.9
164.07199	7.5
167.03470	2.6
167.05786	8.2
168.11354	4.0
169.09789	3.9
174.09195	2.6
179.03401	2.7
181.12263	5.6
185.11742	2.5
186.12495	46.2
191.05646	6.1
198.12437	2.2
199.13319	4.4
205.05002	2.2
207.10240	7.7
224.12692	5.6
225.11314	15.2
235.10881	1.6
241.13385	5.1
242.11781	3.9
243.12424	10.0
243.72179	1.3
258.16028	5.0
261.08685	2.2
268.75064	1.3
271.02368	2.2
276.17212	1.4
283.02350	2.0
285.03922	3.9
299.01840	3.9
301.03494	1.6
315.18256	24.5
333.19324	22.7
345.19086	4.5
363.20398	29.6
364.14352	2.5
364.18759	45.0
365.18753	3.8
384.57898	2.7
399.09702	2.0
405.21332	2.5
417.21454	2.2
432.34106	1.3
435.22513	6.1
461.20013	2.5
479.21158	100.0
480.21671	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	479.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78388	52.6
70.93004	100.0
113.91376	65.5
158.20778	54.3
163.61555	65.8
171.89078	67.5
203.72318	66.5
257.66678	58.9
258.44064	64.7
281.24973	98.1
295.26462	60.4
321.12796	69.8
353.27567	63.4
434.90192	57.5
454.93771	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94423	17.2
59.01381	19.7
61.98832	100.0
70.04617	34.2
70.04946	19.5
70.72733	18.4
80.96507	19.5
93.09414	18.9
110.84242	22.5
115.53572	21.1
117.67101	23.1
151.00525	18.0
225.79437	18.3
262.50546	23.1
283.26456	28.2
295.26712	20.5
310.12009	19.4
349.75357	22.5
458.11234	21.5
497.84402	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29102	0.5
59.01379	1.5
61.98837	100.0
65.05286	0.4
67.01885	0.4
69.46549	0.7
69.46948	1.5
71.01411	1.6
73.02940	0.6
76.61822	0.4
85.02981	0.7
87.00935	0.5
93.03481	1.8
101.02478	0.7
113.02477	1.0
119.76232	0.5
133.14717	0.5
152.99655	0.7
173.04538	1.2
255.02931	0.7
285.04132	1.1
443.47885	0.5
480.26453	1.0
480.32785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	71.9
60.01719	5.4
61.08275	3.3
61.98839	29.5
68.97362	3.6
69.03456	5.3
69.89970	12.1
71.01384	55.9
73.02946	8.0
78.49134	3.4
81.03478	3.2
85.02962	11.5
87.00897	7.8
89.02448	85.3
97.02985	8.2
99.00892	15.2
101.02451	27.9
113.02457	10.3
115.04030	5.9
119.03558	6.1
124.76328	3.2
125.02462	43.2
126.05621	6.8
131.03517	11.5
131.10100	3.6
132.04567	37.4
140.01189	7.6
143.03485	6.6
149.04576	29.8
150.05589	14.5
155.03485	7.1
161.04544	5.3
165.81335	4.2
175.37099	4.8
191.05586	18.0
204.03297	5.8
233.06644	39.5
241.05008	19.0
256.07443	11.4
271.09839	31.0
293.08820	100.0
294.08926	4.5
300.02048	3.7
426.13577	5.6
480.12778	54.1
481.13919	4.8
495.14590	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	480.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22288	0.6
55.01888	0.8
56.06513	0.5
57.03448	1.3
59.01384	47.3
59.51342	0.6
60.01736	0.8
61.98837	100.0
66.30199	0.6
69.03462	1.3
71.01391	33.8
71.30724	0.9
72.99306	0.9
73.02950	8.1
75.00890	0.8
83.01413	2.0
85.02958	8.2
86.00092	0.8
87.00887	4.1
87.04525	0.9
89.02455	38.4
95.01411	0.7
97.02994	1.5
99.00897	1.5
101.02452	20.7
102.52689	0.6
104.75559	0.7
111.00907	2.0
113.02467	8.8
119.03579	3.2
125.02482	2.0
131.03514	21.4
131.04456	1.3
137.02460	0.7
139.04022	3.2
142.79184	0.6
143.03548	1.3
149.04576	20.2
153.02037	0.8
161.04608	2.8
162.05649	1.6
163.06070	1.3
166.06387	1.7
167.06731	1.6
168.06888	1.0
179.05666	0.8
181.08751	1.5
182.09146	2.0
183.09401	1.1
187.13460	3.2
191.05620	10.0
233.06715	1.5
243.22932	0.7
271.15720	0.8
293.08865	2.4
331.18021	0.9
345.08316	1.4
349.18668	8.0
449.19525	0.7
478.62363	0.8
480.22018	0.9
481.23004	21.0
483.43060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05847	0.8
59.01387	34.1
59.91679	1.0
61.40746	0.8
61.98837	100.0
65.01553	0.8
69.32236	1.6
69.32591	5.1
71.01398	3.7
71.90601	0.9
73.02960	1.9
85.02950	2.2
87.00885	1.0
101.02451	3.1
113.02505	1.5
114.85081	0.9
133.54105	0.9
135.04562	1.1
143.03560	0.9
161.02495	1.8
161.04634	1.8
191.05626	0.9
192.32240	1.0
285.03824	1.3
303.46527	1.1
307.56104	1.0
331.17670	5.3
332.17923	1.1
373.18723	2.6
482.50586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55055	1.1
59.01388	34.0
61.98837	100.0
62.19103	0.9
63.99270	1.0
69.13303	6.0
69.13724	1.8
71.01384	4.0
73.02959	2.5
78.90231	1.1
85.02931	1.9
93.83752	1.1
96.37266	1.0
101.02470	2.6
108.91322	1.1
113.02441	1.9
114.40816	0.9
119.03533	1.4
134.03770	1.2
135.04489	1.1
182.29366	1.0
191.05690	1.5
255.02962	1.4
284.02933	1.3
285.04025	2.2
331.17737	6.0
373.18665	1.6
445.43488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.5
59.01391	3.8
61.98837	100.0
71.01393	2.0
71.41718	0.6
73.02934	0.9
83.01407	0.8
85.02974	1.0
87.00896	0.9
89.02470	1.0
90.50780	0.4
93.03467	2.6
99.04548	1.4
101.02485	1.7
102.05629	3.8
113.02473	1.0
128.03571	2.0
134.03804	0.9
137.02472	0.7
146.04634	1.1
173.04628	1.5
236.13901	0.5
309.20184	0.5
439.23334	0.5
469.68335	0.5
480.26224	5.0
481.18152	1.3
481.26935	0.8
485.54221	0.5
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
52.62996	0.5
59.01381	5.0
61.98834	100.0
64.34879	0.7
64.86050	0.6
65.47018	0.5
70.15934	0.6
70.78093	1.2
71.01393	4.5
73.02959	1.6
85.02934	3.0
89.02444	1.4
101.02454	4.4
102.02826	0.9
110.47006	0.6
111.00864	0.8
113.02486	1.8
140.89586	0.6
153.05630	0.9
161.02505	1.0
161.04584	1.3
194.57668	0.7
229.15819	0.6
240.49364	0.6
285.04114	2.7
479.32275	0.8
480.32684	5.8
481.26212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3099
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
50.97483	0.7
58.27126	0.9
61.77401	0.8
61.98830	9.5
63.16595	0.8
71.11922	1.0
78.95914	20.6
140.01187	5.4
152.99536	1.8
173.46709	0.8
174.10130	0.9
196.03822	11.0
214.04880	1.9
235.73479	0.9
283.26453	100.0
284.26813	6.6
362.57956	1.0
480.30975	26.3
481.31149	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	480.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96433	0.2
69.31994	0.1
70.39782	0.1
70.67741	0.3
78.95911	19.7
95.63702	0.1
96.96973	0.3
101.09158	0.1
104.97437	0.2
111.27840	0.1
122.98467	0.1
126.04050	0.1
134.98547	0.2
138.00412	0.2
144.53615	0.1
151.28011	0.1
152.99611	2.2
156.48184	0.1
168.04327	2.9
194.05931	0.2
224.06953	8.0
225.07341	0.2
242.08012	1.9
253.21745	0.4
255.23309	100.0
256.23642	6.7
276.40424	0.2
480.30997	20.7
481.25131	0.2
481.31357	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	6.9
62.73174	0.5
71.01394	3.6
73.02950	1.3
75.00850	0.5
83.01394	0.6
85.02955	1.5
85.06570	0.7
87.00882	1.1
88.15356	0.4
89.02462	2.9
93.03478	0.9
101.02449	3.1
109.02979	0.6
112.98857	0.8
113.02485	1.2
125.02516	0.7
129.01993	0.5
131.03535	0.7
132.02164	0.7
133.02966	3.0
133.48338	0.5
135.04536	0.7
136.01703	0.8
145.02966	1.3
149.04564	0.8
155.10834	0.5
157.02940	1.8
161.02379	0.5
161.04579	0.8
163.04001	1.2
165.07144	0.9
166.05046	0.9
167.05000	0.7
173.02473	2.4
174.03152	0.5
176.03523	2.4
177.02014	1.2
180.05760	0.9
181.06619	2.5
187.07585	0.7
191.05652	3.9
195.04517	1.6
196.05243	0.9
207.04512	0.8
208.05309	3.3
209.06082	9.0
211.04092	1.0
219.04533	3.7
220.05280	1.8
221.06050	0.7
221.64885	0.6
223.04099	0.8
224.04659	0.6
225.05548	1.2
231.10260	0.6
235.04047	4.0
236.04729	3.4
237.05598	19.0
238.05949	0.8
247.04074	1.5
248.04826	7.6
251.03590	1.9
252.04112	1.3
253.05145	2.4
260.06653	0.5
263.03503	3.7
264.04263	7.4
265.05081	100.0
266.05573	5.1
267.06714	0.9
272.09363	0.8
275.09210	0.7
279.02966	2.6
280.03717	1.4
281.04614	5.5
282.05042	0.7
285.03998	0.9
291.02997	1.8
292.03864	0.6
295.02515	2.0
303.08710	0.7
307.02560	0.8
308.03049	2.4
309.04092	18.1
310.04532	1.5
319.08127	0.8
319.21265	0.6
335.02127	1.8
349.18683	1.4
352.02353	6.8
353.02808	0.9
437.08768	1.0
459.52524	0.5
480.25610	1.2
481.07788	7.4
481.17676	1.2
481.27069	4.4
482.08078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.7
70.91074	3.7
71.01395	6.9
74.37910	1.8
80.32503	1.7
85.02958	2.2
89.02455	5.3
101.02467	6.4
107.05078	2.6
107.87514	1.8
113.02489	2.0
115.00324	2.3
115.42700	1.6
125.02434	4.6
133.02963	18.7
134.03748	5.0
135.04543	73.6
136.04834	2.2
137.02463	3.3
148.49318	1.8
161.02463	64.6
161.04503	2.5
162.02818	2.2
163.04044	2.1
179.03522	49.7
212.43726	2.2
257.14886	1.9
361.11594	1.8
440.75784	2.2
445.13556	100.0
446.13748	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	481.1143
Annotation	Silydianin
Peak:m/z	Relative Intensity
54.11477	0.9
57.03455	14.9
58.09938	0.9
61.98814	1.4
63.02399	1.6
63.68904	0.9
65.00317	4.1
69.36347	4.8
82.95432	1.4
83.01395	6.8
86.01305	0.9
95.01379	2.2
96.02180	1.5
105.74935	1.1
107.01379	4.0
109.02970	1.6
111.00964	1.2
120.63615	1.0
121.02966	5.9
122.03708	1.7
123.00939	1.3
124.01672	7.6
125.02457	100.0
126.02796	2.8
134.03781	1.9
135.04562	2.7
137.02386	1.5
139.00357	1.0
139.03989	2.7
145.02957	2.2
146.03737	3.7
147.00887	1.4
147.04546	1.9
149.02429	4.5
151.00363	17.3
152.01186	22.9
153.01979	4.7
159.04515	2.2
161.06020	1.8
163.00296	1.2
163.03990	3.3
169.01355	1.1
171.04503	1.6
173.02370	1.1
175.04027	1.1
178.99863	12.6
179.07072	2.4
187.04025	4.5
188.04736	1.0
189.01901	1.1
189.05498	2.9
191.03470	2.9
201.05574	2.1
213.05505	1.4
215.03450	4.1
217.05092	1.1
227.03642	2.1
229.05057	5.2
231.06647	1.2
255.02953	2.5
256.03702	1.6
257.04538	9.7
258.05237	2.8
259.06323	1.6
273.03928	5.6
283.02536	5.5
284.03290	4.6
301.03589	6.1
319.11786	1.8
435.10806	4.3
437.12595	2.0
451.19232	1.2
453.05789	1.8
453.11917	30.2
454.12134	2.3
463.10440	3.6
481.11368	48.1
482.11600	4.3
506.44537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1357
Annotation	Catalposide
Peak:m/z	Relative Intensity
57.03435	1.5
59.01387	10.6
60.15505	1.1
65.10110	1.2
65.28034	1.3
69.61923	5.1
71.01389	6.5
72.94746	1.2
73.02919	3.0
78.19190	1.2
79.95751	2.2
81.03465	3.2
83.05021	3.6
85.02959	2.7
89.02462	5.8
93.03465	46.3
94.97176	3.0
94.98088	10.8
98.21856	1.4
99.00928	1.6
101.02459	3.4
103.41950	1.2
108.02164	4.2
109.02954	5.3
111.04548	10.1
113.02457	2.8
117.03480	4.5
119.05041	100.0
120.05352	3.2
125.02430	3.6
131.03503	1.7
132.35776	1.2
135.04518	4.1
137.02457	56.7
138.02852	1.8
144.83025	1.5
145.02963	13.8
152.01138	3.0
153.01979	3.3
155.03528	22.4
156.03972	1.6
161.02469	1.5
163.04027	92.6
164.04353	3.4
166.05086	1.6
177.01923	2.6
179.03513	2.4
187.09920	1.2
256.82394	1.2
315.07138	1.4
319.04535	2.8
319.08237	47.0
320.08566	3.6
325.09222	1.5
326.16501	1.4
349.18033	2.5
369.25488	1.4
443.15411	1.5
481.13412	19.2
481.22754	4.5
482.13217	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	481.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34547	1.4
58.82533	1.5
59.01382	4.9
61.98829	1.3
70.91602	1.7
71.01396	2.7
72.83181	1.1
82.47543	1.3
97.08504	1.2
101.02448	2.6
109.02961	1.4
113.02444	1.5
128.03558	2.9
133.02948	1.6
134.03751	4.7
135.04546	2.0
136.01660	10.1
137.02411	3.4
138.07104	1.2
139.04039	1.9
151.04018	9.7
163.04034	1.4
196.19931	1.2
213.05611	8.9
218.92622	1.5
232.22549	1.4
240.04457	2.1
241.05083	62.4
242.05394	2.4
255.06657	2.4
256.07425	38.8
257.07779	2.7
271.09769	100.0
272.10114	4.4
319.11856	16.7
319.27826	1.3
481.15106	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	481.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00442	0.6
57.03437	0.7
59.01384	4.8
61.98833	2.4
71.01380	3.7
71.44569	1.2
73.02940	1.0
74.02492	0.8
75.00893	0.6
85.02969	1.4
87.00868	0.7
89.02457	2.9
93.03477	1.5
101.02461	1.8
103.50568	0.7
113.02465	0.9
119.05081	0.8
120.99666	100.0
121.99946	0.9
123.04536	0.7
123.16502	0.8
133.02953	1.4
135.04524	4.4
145.02972	1.0
161.02510	2.2
162.02824	1.4
163.04108	0.9
168.10490	0.6
173.04697	0.7
179.03511	1.7
180.03937	0.6
187.13400	2.6
191.05615	2.5
203.49010	0.6
211.04362	0.9
265.05072	1.9
271.02383	0.8
274.15741	0.9
275.16568	2.4
283.15555	0.8
299.01855	1.4
300.02466	1.8
301.02979	0.9
309.04092	0.7
319.85464	0.8
349.18771	3.3
386.08554	2.3
386.58963	1.3
480.62457	1.8
481.13342	0.9
481.22400	7.5
496.47760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
57.03456	1.5
58.00602	1.6
59.01385	100.0
69.03467	11.0
71.01394	60.0
71.01794	2.7
71.05007	1.8
72.99317	1.9
73.02568	1.9
73.02953	29.1
75.68684	1.2
81.03462	4.9
83.01386	7.3
85.02959	21.8
87.00874	2.6
89.02456	27.6
95.01381	2.3
97.02966	21.9
97.06615	1.6
99.00895	2.0
101.02460	47.6
101.06158	1.6
103.03403	1.7
103.04032	25.9
109.02940	2.2
111.04486	2.1
113.02457	6.1
115.04035	19.4
119.03533	11.2
120.05026	1.3
124.64607	1.2
125.02461	32.0
127.04028	4.0
129.05573	2.9
131.03520	2.5
137.02435	8.2
140.01186	2.7
143.03494	5.5
145.05055	3.2
161.04587	2.6
163.06114	13.3
173.04588	6.7
203.56474	1.4
205.07140	1.3
236.72807	1.4
247.08221	11.3
259.08206	2.2
275.07806	1.9
307.10367	7.1
371.20078	1.5
405.14017	2.5
449.13016	18.4
481.15570	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	481.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	2.2
59.01384	100.0
61.98831	6.2
69.03464	7.4
71.01387	46.7
73.02944	10.3
75.00871	18.5
80.72221	1.7
83.05021	2.3
85.02952	13.9
87.00879	5.6
89.02454	47.3
93.03460	5.6
95.01392	6.0
98.14034	1.6
101.02456	29.0
109.02991	2.2
111.04520	5.3
112.01678	7.3
113.02471	35.4
118.06643	3.7
119.03513	22.3
119.04990	3.7
121.02972	2.6
123.04520	2.4
131.03519	7.7
135.04547	3.7
137.02454	4.1
138.05595	2.8
143.03468	3.9
145.02956	4.8
149.04582	3.9
152.01164	2.0
155.03520	2.9
160.04076	10.3
161.04567	11.0
162.05637	37.6
163.03998	6.0
171.01880	2.0
179.05612	13.0
187.09769	5.2
191.05650	2.7
202.32301	2.0
259.05890	2.5
275.07742	65.0
276.08029	2.5
283.10934	6.2
307.10345	6.9
316.36270	2.2
319.08087	3.8
349.14081	3.8
421.21289	2.3
463.17249	2.1
481.18460	9.6
482.13135	4.7
500.21173	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62501	4.5
56.07853	4.2
58.49472	4.3
59.01382	37.4
61.98833	14.1
64.03789	4.0
68.35583	3.7
69.51281	16.6
71.01379	22.0
73.02944	14.3
78.16107	3.9
78.95924	4.8
81.07153	4.1
83.01392	4.5
84.17970	3.9
85.02953	13.0
87.00919	4.9
87.04513	5.7
89.02428	6.9
96.87581	4.0
97.02995	5.4
97.58126	4.4
98.22581	7.8
101.02427	14.7
107.05058	5.0
109.06607	7.5
109.43449	4.4
113.02452	16.6
121.06538	3.9
125.02415	5.5
125.06045	6.8
134.27600	4.1
135.08188	12.7
135.11807	18.6
140.37212	4.2
146.07253	4.0
159.11800	17.2
161.09758	29.4
167.03392	4.8
175.11276	4.3
177.12857	20.2
179.03477	5.5
179.10793	100.0
180.11189	4.9
190.06111	4.0
193.12312	7.2
203.10707	12.4
205.08612	12.8
221.11847	45.3
223.09795	67.5
253.22949	4.5
265.10880	54.0
295.11838	7.7
325.12894	34.1
508.68619	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	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01384	28.1
60.24008	0.6
61.98832	2.5
67.98385	0.5
70.13430	0.6
70.13760	1.3
79.75935	0.6
105.43423	0.6
117.03481	0.7
124.01710	0.8
125.02476	6.4
149.02409	0.7
151.00398	1.3
152.01138	2.6
161.02530	1.2
178.99910	1.8
189.01938	20.0
190.02518	1.1
201.01955	26.3
202.02290	2.2
215.03493	2.2
225.05635	1.7
227.07167	7.4
228.04341	1.1
229.05106	4.4
243.06635	6.7
244.07420	43.5
245.07796	2.3
257.04391	0.7
259.09769	100.0
260.10092	7.0
301.03561	3.4
481.11444	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	481.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
58.73704	0.5
59.01393	5.5
60.99313	6.2
61.68964	0.6
61.98816	0.5
65.03973	1.1
67.01900	14.4
69.03472	4.4
69.67645	0.9
69.68028	1.1
71.01391	7.6
73.02944	1.3
81.03474	3.0
83.05027	2.2
85.02962	1.5
85.86943	0.6
87.00888	19.7
89.95534	0.5
93.03468	100.0
94.03824	1.8
97.06597	1.2
98.21896	0.5
99.00906	2.3
99.04531	1.9
101.02469	1.1
101.80618	0.5
102.05602	0.6
108.91637	0.5
109.02924	1.2
110.06989	0.5
111.04529	13.6
113.02457	2.4
115.04023	1.3
116.29376	0.5
126.35203	0.5
128.03500	0.6
129.01947	2.0
133.02975	1.1
134.03763	22.0
135.04515	1.7
136.97307	0.5
137.02451	1.4
143.03571	0.9
147.83420	0.5
155.03525	4.1
166.87985	0.5
173.04575	70.0
174.04897	1.3
177.01924	2.2
178.02763	4.8
185.91341	0.5
191.05721	1.0
204.26538	0.5
231.10304	0.7
275.09256	1.5
307.11868	4.3
352.22339	0.6
449.14612	9.6
450.14673	1.0
481.17212	34.5
481.26514	2.1
482.17587	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	481.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98827	0.7
70.95613	0.8
71.01364	1.0
83.85543	0.6
85.02980	0.7
89.02440	1.1
96.97013	0.5
101.02461	0.8
125.02422	0.6
133.03070	0.6
134.03757	0.9
135.04535	1.6
136.01694	2.7
137.02463	0.8
140.56627	0.5
144.04572	0.8
151.04018	2.3
160.72446	0.6
161.02473	1.5
185.06087	1.4
195.04541	1.4
197.06104	1.0
212.04842	1.5
213.05559	13.3
223.03967	2.9
224.04745	1.5
241.05075	59.2
242.05380	3.4
256.07425	44.1
257.07791	2.7
259.05917	1.6
271.09772	100.0
272.10077	5.8
319.11850	17.2
320.12311	1.1
445.13354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.9
59.01378	4.6
60.99320	6.0
61.98840	4.7
65.03963	0.9
67.01533	0.9
67.01897	14.9
68.32150	0.6
68.66601	0.6
69.03446	5.2
69.21252	1.8
69.21676	2.2
71.01400	5.5
81.03488	2.7
83.05028	2.6
85.02953	1.0
87.00890	21.0
89.02425	0.8
93.03470	100.0
94.03819	1.8
98.22634	1.3
99.00893	1.9
99.04525	3.2
101.02421	0.9
109.02946	1.9
111.04536	14.5
112.04886	0.8
113.02487	1.4
115.03988	1.1
121.03036	0.6
125.02473	1.0
129.01950	2.5
133.03018	1.9
133.33904	0.6
134.03760	9.9
135.04549	3.3
137.02467	2.3
139.04094	0.5
140.73065	0.5
143.03488	0.9
148.04012	0.7
155.03499	2.8
162.03174	0.9
162.64279	0.6
173.04578	57.1
174.04947	1.9
174.97256	8.1
177.01967	2.3
178.02727	9.8
179.03455	2.2
185.49403	0.6
191.05679	2.1
275.09473	1.3
281.43369	0.6
305.47278	0.6
307.08264	0.7
308.08997	1.3
351.07272	1.4
352.07993	1.2
356.37430	0.6
415.22037	0.6
449.14587	42.5
450.14648	3.7
481.17160	17.8
481.27957	1.1
482.17505	1.8
482.27655	0.7
500.62491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
61.98859	0.9
69.64748	3.9
69.65091	1.0
71.01391	2.6
73.02947	1.4
85.02974	1.6
89.02448	2.6
97.02956	1.4
101.02457	1.6
108.02196	1.0
113.02457	1.5
123.73231	0.8
129.09114	1.1
130.43661	0.9
134.03770	4.7
135.04533	2.1
136.01686	9.3
137.02440	3.1
139.03993	1.7
149.06082	2.6
151.04025	10.7
161.02464	1.1
161.04572	1.0
163.04015	1.1
185.06064	2.1
191.05647	1.4
195.04558	1.1
197.06169	1.1
212.04799	1.3
213.05589	10.8
223.04079	3.3
223.97722	0.8
224.04723	1.5
240.04230	2.6
241.05078	60.3
242.05432	3.6
255.06612	2.5
256.07428	53.6
257.07730	1.7
269.70105	0.9
270.08710	1.0
271.09778	100.0
272.10147	7.3
292.48672	0.9
319.11874	17.6
481.14575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.2
59.01382	44.6
60.78232	2.6
60.99307	5.5
61.98834	81.9
67.01891	15.5
70.87995	2.8
71.01382	23.1
73.02960	7.2
78.95911	6.3
81.03462	4.0
83.01421	2.6
85.02964	7.8
87.00880	24.5
89.02437	8.2
93.03463	100.0
99.00879	3.0
99.04510	4.0
101.02440	13.4
102.05602	6.0
111.04519	10.8
112.98754	2.2
113.02460	11.1
127.05108	3.4
128.03514	6.3
133.02959	3.7
134.03777	18.0
135.04533	9.1
137.02467	8.5
145.06184	3.6
146.04579	3.2
152.99586	7.0
155.03461	4.5
155.10838	2.4
161.02455	4.7
161.04585	4.5
171.10359	2.4
173.04572	74.6
177.02014	6.1
178.02792	4.9
179.03444	5.0
186.25960	2.4
191.05605	6.7
255.47545	2.1
264.06863	3.3
265.05139	4.6
273.02426	2.4
285.03912	3.4
319.58371	2.8
387.62289	2.5
405.06189	5.1
449.14560	10.6
459.67648	2.8
481.07523	3.6
481.10278	2.7
481.17328	31.3
481.29614	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	481.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35438	2.3
59.01379	15.9
71.44326	2.7
84.99327	2.2
87.00867	19.2
91.01426	3.0
97.74226	2.5
103.00374	5.7
112.98807	10.9
127.11251	4.2
128.98309	2.9
150.06877	5.5
162.06882	100.0
163.07576	8.6
171.10277	50.7
176.08459	4.1
177.09224	83.2
223.11574	2.4
261.21585	2.5
267.30325	2.5
287.20200	6.4
331.19095	10.6
349.20212	56.1
350.20477	3.2
481.20584	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	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.2
59.01385	100.0
60.23837	0.9
61.98838	6.3
71.01388	61.8
71.43131	0.7
72.01710	1.3
72.99311	2.0
73.02949	20.3
75.00880	3.3
83.01387	2.6
84.95105	1.0
85.02960	8.2
86.00117	1.1
87.00890	4.3
89.02453	99.9
90.07433	0.9
93.03503	1.1
95.01432	1.4
97.02979	1.4
97.06551	1.0
99.00893	17.8
101.02451	44.2
102.02872	1.4
111.00893	1.0
113.02465	10.1
115.04076	1.2
117.07809	0.8
119.03500	5.9
119.05073	1.4
125.02449	4.3
131.03522	29.1
132.03072	0.8
132.04578	2.2
135.04611	0.9
137.02425	1.1
139.04019	1.1
143.03517	1.8
145.20718	0.8
149.04570	77.5
150.04918	1.2
161.04562	3.3
162.05576	1.9
163.04114	1.0
176.03587	1.0
179.05669	1.9
191.05626	20.3
191.07312	1.1
221.06801	1.4
233.06819	1.3
251.07744	3.2
265.05115	1.0
293.08829	1.8
311.10031	0.9
331.17685	1.0
349.18793	3.8
393.07138	0.8
481.17096	1.2
481.23138	19.7
482.23282	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
57.03449	2.5
58.00602	1.3
59.01386	100.0
60.01727	0.9
61.98840	7.3
69.03466	2.1
69.60625	1.5
69.61043	0.8
71.01390	74.1
71.05025	1.8
72.01726	0.6
72.99313	1.7
73.02952	15.4
75.00896	0.5
81.03458	1.3
83.01396	6.5
85.02959	16.1
86.00099	2.0
87.00891	8.5
87.04516	2.6
89.02453	85.2
90.02795	1.4
93.03453	0.4
95.01401	1.7
95.04990	0.6
97.02954	5.3
99.00899	2.9
101.02457	46.6
102.02789	0.8
108.34510	0.5
109.02946	2.4
111.00881	4.3
111.92896	0.5
113.02464	16.9
113.06122	0.9
115.04034	1.2
119.03518	7.0
119.05036	0.7
125.02476	7.8
127.04006	0.5
129.01982	0.5
131.03520	39.7
132.03848	1.2
137.02388	0.7
139.04033	14.1
140.04356	0.5
143.03542	3.0
149.04570	49.3
150.04857	0.8
153.01936	4.9
153.09299	0.4
159.03046	0.5
161.04576	5.8
163.04054	0.9
165.01950	1.8
167.03587	0.6
179.05603	1.5
187.13438	5.9
191.05643	21.3
192.06061	1.0
215.05595	0.7
233.06668	3.9
234.07210	0.5
251.07738	0.6
265.05008	0.6
293.08798	5.2
331.17648	1.4
345.08340	5.7
349.18726	19.1
350.19058	0.9
463.39166	0.5
481.22974	60.2
482.23288	5.7
506.00217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41175	1.1
60.64706	1.0
70.70046	1.1
70.73845	2.0
73.75654	1.0
76.42484	1.0
78.95912	43.9
87.47178	1.2
96.96978	3.7
99.97749	1.1
110.38319	1.0
152.99599	57.7
171.00679	17.3
176.31621	1.0
227.03252	4.1
245.04323	100.0
246.04803	1.9
253.21736	59.7
254.22008	3.3
285.20798	1.9
386.18866	1.1
467.58740	1.2
481.25717	36.4
482.26099	3.5
483.61911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53695	1.0
61.98839	1.4
69.44162	2.7
72.58080	0.9
88.45516	1.2
117.96212	1.1
170.88522	1.4
173.06116	3.7
177.01971	11.2
187.76761	1.3
189.02011	1.3
192.00670	7.9
201.05568	2.6
204.00662	3.8
205.01424	22.6
217.01509	7.2
217.05037	9.2
218.02208	2.3
245.04556	44.8
246.04811	1.1
271.06250	1.3
285.07693	2.7
287.72794	1.3
344.12668	100.0
345.13062	7.3
481.26099	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	482.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.3
61.98830	1.9
65.52153	0.5
70.52346	0.5
71.01387	4.3
73.02953	1.4
85.02970	1.6
85.06599	5.6
85.67503	0.5
87.00898	0.7
89.02467	4.3
90.02769	0.7
101.02434	3.9
108.02183	8.0
111.22358	0.5
113.02451	1.7
113.06104	0.9
115.04009	0.7
119.03486	0.9
125.02377	0.6
129.05592	1.1
130.08786	0.7
131.03532	2.9
131.07153	0.9
138.01990	100.0
139.02330	1.5
149.04602	1.7
162.92203	0.5
189.07716	0.8
191.05637	1.8
213.95227	0.5
423.19101	0.9
437.20279	0.7
482.10733	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	482.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09146	0.3
52.94927	0.3
56.27926	0.4
57.03452	0.9
57.39262	0.3
59.01387	2.8
61.98834	1.1
69.18880	0.9
69.19295	1.3
69.75623	0.3
71.01378	1.5
72.78545	0.3
74.02470	0.8
75.00880	0.7
83.01430	0.4
85.02961	5.4
85.06608	0.3
87.00893	8.7
88.69295	0.3
89.01123	0.3
89.02439	0.4
98.21872	0.8
101.02454	1.0
105.03442	0.4
111.00906	3.0
113.02431	0.8
115.59185	0.3
123.04589	0.3
129.02000	0.3
130.03038	0.8
131.03786	10.8
135.04518	0.5
137.02411	0.6
146.81697	0.3
147.03232	0.3
148.04062	5.5
158.02531	1.7
174.01936	2.3
175.02785	3.4
177.01965	1.2
179.03529	0.4
189.04338	9.8
190.05122	100.0
191.05522	3.8
206.41699	0.3
255.03078	0.5
266.05402	0.4
284.03207	0.6
285.03943	0.8
322.52463	0.3
350.16306	0.9
352.10394	42.8
353.10742	3.2
358.79141	0.4
360.77573	0.4
386.07169	0.5
394.11475	1.5
464.11993	0.6
481.26636	1.1
482.13217	1.9
482.27228	0.9
483.05911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97856	5.7
59.01381	26.2
69.93055	9.8
71.01383	20.7
73.02946	14.4
74.21341	5.4
85.02998	6.6
89.02431	7.2
90.99406	6.1
91.33230	5.9
101.02427	7.0
113.02437	14.2
131.25421	5.5
254.22104	7.6
277.21741	100.0
291.23373	72.3
292.23672	10.6
301.21603	11.0
319.22818	15.0
374.30698	6.2
386.95959	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	482.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	32.0
61.98807	9.6
62.74447	7.7
66.47295	7.0
66.68520	7.0
71.01378	18.9
71.44975	8.0
72.75111	7.2
73.02954	10.3
78.67300	7.7
113.02415	10.9
113.12999	6.9
119.94623	8.3
134.48750	7.6
161.69456	7.8
256.23633	10.2
257.23923	8.1
274.17035	7.2
277.21674	100.0
291.23361	86.8
319.22903	23.5
330.94485	9.1
341.98596	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	483.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21886	4.4
57.03436	13.7
59.01385	100.0
61.98836	23.6
69.03471	7.4
71.01392	80.8
71.43808	4.4
72.99311	7.6
73.02946	15.5
82.24281	4.6
83.01418	6.8
83.05049	5.4
85.02950	19.8
85.06587	15.0
87.00886	11.6
89.02455	99.4
93.03469	15.7
93.48921	5.3
95.01404	5.3
96.96078	5.0
97.97674	4.6
99.00864	13.6
99.04539	6.0
101.02448	44.4
109.02966	12.3
111.00880	6.6
113.02454	29.9
113.06083	18.2
115.03967	7.8
119.03525	15.5
125.02445	11.2
129.09190	15.4
131.03505	11.3
133.02930	5.6
135.04520	20.5
136.01649	6.2
137.02431	13.5
139.04022	7.3
143.03502	7.9
149.04558	30.2
151.04042	7.8
152.01123	5.8
153.01927	8.1
161.02492	8.7
161.04550	12.4
163.04094	5.0
177.01949	8.3
179.03532	17.2
179.05670	30.8
191.05589	44.9
207.10365	5.3
225.11224	7.3
267.06848	6.4
281.06735	7.6
284.03259	7.5
293.08850	15.0
305.05676	7.3
330.25949	4.5
357.13364	4.8
447.22296	6.4
483.14395	12.7
483.23123	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21899	0.5
57.03453	1.5
58.77846	0.6
59.01385	4.8
60.80355	0.5
68.71130	0.5
69.18739	0.5
69.41068	2.7
72.06533	0.5
80.84197	0.5
89.02444	0.6
89.03972	1.5
93.03465	0.6
101.02470	1.1
104.02701	9.7
105.03490	3.1
108.02182	0.6
109.02928	0.7
120.02186	1.5
123.04509	0.7
125.02483	0.7
133.02974	7.8
135.04500	0.8
138.25017	0.6
148.01677	12.4
149.02307	0.7
154.69559	0.6
159.35449	0.6
160.04057	0.7
176.01161	94.8
177.01939	100.0
178.02255	3.5
179.03526	1.0
190.05043	1.1
255.70563	0.6
261.07684	29.0
262.08035	1.6
289.07205	1.0
314.19458	0.5
321.06076	0.6
339.07208	18.5
340.07706	1.5
381.08209	7.4
421.11365	1.4
423.07486	0.8
475.20822	0.6
483.11813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46095	0.6
54.42860	0.6
57.03455	1.7
59.01386	5.8
61.98826	0.7
62.44955	0.6
71.01398	1.4
71.40820	0.7
75.00784	0.5
81.03465	0.5
87.00869	0.6
89.02459	0.8
89.03957	0.8
99.04578	0.6
99.20200	0.6
101.02480	1.0
104.02696	10.4
105.03481	2.1
109.02952	0.9
113.02542	0.7
116.05027	1.0
120.02213	1.4
123.04591	0.6
125.02451	0.7
133.02983	7.1
135.04555	0.9
136.23743	0.5
137.02444	0.6
148.01688	14.1
149.02382	1.0
153.02013	0.6
160.04060	0.7
168.98422	0.6
176.01161	90.3
177.01941	100.0
178.02306	3.9
179.03607	0.6
183.30725	0.6
190.05183	0.7
223.12123	0.5
232.94449	0.5
248.36510	0.6
261.07690	26.4
262.08017	1.7
266.28290	0.6
288.34271	0.5
289.07214	2.1
304.08289	0.8
307.43478	0.5
315.35324	0.7
321.06384	0.6
339.07217	18.3
340.07495	1.3
381.08313	6.2
410.69977	0.5
421.11368	1.1
423.07361	0.6
423.18536	0.7
483.11697	2.2
484.15213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91677	10.6
59.01381	67.4
61.98832	38.6
62.44817	10.9
71.01392	37.7
85.02937	15.3
89.02434	79.3
99.00935	12.2
101.02425	25.2
105.58981	12.1
108.02182	10.4
113.02431	15.9
121.02966	15.2
123.04510	31.7
125.02440	22.8
131.03516	19.3
135.04663	12.3
141.36160	10.6
149.04552	52.8
153.05582	46.5
153.09169	14.1
174.97246	30.9
203.50975	12.6
269.04993	12.0
277.16583	25.2
287.38916	12.6
293.08871	100.0
329.06595	61.5
483.18423	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2008
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
52.54304	2.6
57.03464	3.0
59.01383	27.0
61.98832	8.3
69.07140	16.0
69.76318	2.2
71.01391	18.2
72.29815	2.4
73.02959	8.6
75.09830	2.4
75.80371	2.5
83.01392	5.8
85.02950	11.7
88.18858	2.5
89.02448	5.2
98.22655	4.6
99.00881	4.6
101.02467	16.2
102.05610	3.2
111.72639	2.5
113.02448	8.1
128.03569	4.4
129.91164	2.5
135.04601	2.8
161.02441	2.9
161.04564	9.8
195.46555	2.8
291.18140	15.2
315.18033	6.9
351.21814	5.9
423.22327	22.4
447.22400	51.4
448.22809	4.7
474.62872	2.7
483.20016	100.0
483.30643	4.2
484.20166	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	483.2008
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
51.87660	7.1
59.01390	44.4
61.98835	100.0
62.30324	7.2
63.99253	10.3
69.28575	44.3
70.35698	7.3
71.01388	18.7
73.02956	7.6
83.05022	6.7
85.02984	9.9
89.02451	9.7
91.73942	6.3
101.02464	15.4
103.35055	6.8
104.69604	7.1
108.02158	12.5
109.02969	8.4
110.39948	6.9
113.16502	8.2
123.04501	8.4
128.16821	7.7
135.04507	8.4
139.04001	9.1
143.99370	7.5
152.01176	16.5
155.10753	9.5
163.04005	10.5
199.09787	9.7
199.63416	6.1
277.16614	25.1
285.14236	7.2
301.79227	8.2
343.35831	7.6
350.96265	6.3
351.56796	6.6
359.64932	6.6
404.95316	7.1
423.22327	27.3
445.21341	8.3
483.19473	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77112	1.5
55.80241	1.1
58.00588	1.6
59.01384	100.0
60.53823	1.2
61.98845	8.1
69.03429	1.7
70.20990	1.6
70.21319	2.8
71.01383	30.0
72.99303	3.1
73.02570	2.3
73.02953	37.4
83.01392	4.1
85.02954	13.2
87.00878	9.2
87.04510	2.6
89.02446	23.8
99.04552	1.4
101.02451	52.7
103.04018	21.4
105.15913	1.4
113.02463	4.8
115.04008	8.4
119.03525	14.6
125.02431	4.3
127.03922	1.4
131.03520	9.4
135.04591	2.0
143.03520	10.6
145.05107	5.7
160.04025	4.7
161.04498	5.0
163.06142	87.4
164.06499	1.2
191.05663	1.5
205.07176	19.8
224.53876	1.4
245.26317	1.1
265.09317	4.9
277.13010	6.3
325.11453	2.1
393.39590	1.3
423.18753	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	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.8
65.43410	0.4
66.33530	0.4
69.38772	1.9
78.95909	11.6
91.15479	0.4
96.96963	1.2
97.00617	0.4
112.55901	0.4
112.60877	0.5
152.99594	21.8
171.00674	1.0
184.71732	0.4
207.91458	0.5
209.76981	0.4
227.03244	3.8
245.04353	1.2
255.23302	100.0
256.23660	5.0
276.06265	0.5
342.24246	0.4
459.60797	0.5
483.27274	36.2
484.27698	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	483.2733
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
52.81984	0.3
56.96219	0.3
69.13454	1.9
72.11736	0.4
78.95911	7.3
84.16784	0.3
96.96960	0.6
98.21871	0.6
110.81218	0.4
133.79359	0.4
152.98349	0.8
152.99603	14.1
171.00616	1.1
194.04355	0.4
227.03271	3.2
245.04382	1.2
255.23314	100.0
256.23676	4.7
301.98740	0.3
483.27322	26.8
484.27493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81590	2.2
53.60637	1.6
59.01382	47.0
61.98834	3.7
63.58187	1.9
68.99857	1.7
69.03438	2.1
69.04832	12.7
71.01383	38.8
73.02948	22.5
83.01383	2.6
85.02970	7.8
87.00851	3.0
89.02451	51.6
97.02950	1.8
98.22672	4.9
99.00877	32.5
101.02447	24.0
109.02956	3.3
113.02443	6.0
115.04034	3.5
116.05109	3.7
119.03487	3.9
125.02471	8.7
128.05058	4.1
130.06633	22.7
131.03546	12.8
131.60909	2.2
135.04575	4.4
137.02451	6.8
142.06613	17.2
143.03506	1.9
144.04562	26.4
144.08185	28.8
145.05325	11.9
145.08595	2.0
146.06131	65.4
147.06593	2.2
149.04535	16.4
156.08188	6.8
158.06070	8.9
159.04622	2.1
160.07693	45.2
161.02513	4.0
161.04575	3.5
163.06178	3.2
167.01765	7.6
167.03477	3.0
170.06145	16.3
172.04097	2.6
172.07545	2.0
174.09271	7.9
175.04056	3.7
177.01912	14.0
186.05638	15.0
186.09341	2.4
187.71310	1.9
188.07190	42.9
190.05104	12.1
191.05656	8.9
200.07217	2.7
201.05563	3.0
206.08240	7.0
210.09253	2.1
218.08159	10.0
230.08173	3.4
232.06108	13.1
232.30527	1.9
233.06609	5.8
234.06386	1.7
241.74973	1.9
254.08250	4.5
259.06274	3.9
269.04568	3.8
272.09052	4.0
287.05615	13.9
308.11417	5.6
346.22812	1.9
440.15662	33.6
446.14090	5.5
449.10977	4.7
484.14697	100.0
485.15018	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	484.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41745	1.2
59.01384	45.6
60.03270	1.3
67.07135	1.2
69.03474	2.2
71.01389	36.1
71.04156	1.9
72.99321	1.9
73.02955	20.0
74.99115	2.0
85.02969	9.2
89.02447	44.8
90.02795	1.5
97.02979	1.8
98.15713	1.2
99.00885	27.0
99.01534	1.4
101.02454	21.3
105.03489	3.7
108.84779	1.2
109.03028	1.4
113.02464	5.4
115.04076	1.9
116.05077	4.0
118.98103	10.7
119.03503	2.9
125.02470	6.2
128.05078	2.3
130.06639	19.2
131.03595	9.8
131.07033	1.6
132.08197	1.6
133.02950	7.7
135.04593	1.9
142.06645	18.7
144.04556	25.1
144.08186	24.8
145.05357	15.6
146.06133	63.7
147.06551	1.8
149.04532	10.0
156.08200	5.8
158.06093	11.3
160.07695	43.0
161.04572	4.1
161.08031	1.3
164.07175	1.2
170.06081	11.0
172.04051	1.6
172.07689	3.5
174.09262	8.7
177.01944	69.6
186.05635	13.0
186.09218	1.8
188.07187	42.0
189.07574	1.8
190.05078	9.3
191.05597	10.6
200.07199	3.4
206.08206	8.0
210.09235	2.3
218.08246	11.3
228.10373	2.3
232.06128	9.3
233.06633	2.2
235.04517	1.7
250.83820	1.3
254.08252	5.2
264.12503	1.8
293.08856	3.0
293.22626	1.5
308.11453	6.1
422.14371	2.0
440.15613	30.3
441.16232	2.4
484.14645	100.0
485.14218	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	484.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
57.03429	1.6
57.97309	1.1
59.01384	40.1
61.98803	2.3
69.03460	2.8
69.20755	3.6
69.21161	2.8
71.01385	30.8
73.02956	14.0
79.67018	1.1
83.01393	3.3
85.02950	12.8
87.00851	2.2
87.33854	1.2
89.02453	18.7
93.43047	1.1
95.01405	1.5
97.02909	2.1
99.00885	5.7
101.02458	24.9
113.02471	13.7
116.05017	1.7
119.03503	8.9
123.04549	1.5
125.02446	5.4
128.05038	1.9
130.06624	12.1
131.03659	5.8
132.04546	3.2
132.08249	1.2
133.02966	2.1
138.51961	1.5
139.71997	1.3
142.06645	3.4
143.03534	1.8
144.04585	14.0
144.08205	4.6
145.05321	1.5
146.06133	91.8
147.06462	4.1
149.04578	2.4
156.08151	6.2
157.05276	1.2
158.06120	6.3
158.09839	1.2
160.07735	8.8
161.04601	11.3
166.06613	2.4
167.03479	1.3
170.06165	6.3
172.07713	3.0
174.09291	7.8
176.03516	1.9
177.01965	12.2
182.06158	2.2
184.07675	1.3
186.05418	1.8
186.09215	1.7
187.07681	1.4
188.07193	24.8
190.05124	5.1
196.07796	1.6
200.07237	7.4
201.05725	1.5
202.08714	1.7
206.08261	5.8
207.77655	1.2
218.08209	12.9
223.34001	1.2
228.10312	1.5
230.08199	2.6
242.08308	2.9
254.08240	4.3
290.10266	3.2
293.08881	6.1
308.11386	20.4
309.11902	1.7
322.14056	3.0
323.14920	1.4
335.66336	1.2
362.44702	1.3
410.60022	1.5
440.15628	39.5
441.16180	4.5
484.14645	100.0
485.14603	7.0
485.20734	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	484.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
61.98835	100.0
71.01389	2.2
71.42154	0.9
84.27647	0.7
84.94371	0.8
102.05640	2.1
128.03560	2.4
145.06137	0.8
146.04610	1.7
147.03372	1.4
174.06717	0.9
206.04631	5.5
206.98878	0.8
248.05394	0.9
355.24930	1.2
484.29684	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	484.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65321	1.7
54.65246	1.5
55.01872	2.9
57.03438	3.1
59.01085	3.3
59.01381	57.2
61.98821	1.7
69.03433	2.0
69.75671	2.4
69.76011	5.0
71.01388	41.2
73.02953	14.3
74.61321	1.6
75.00868	1.9
82.95421	2.1
83.01394	4.1
85.02965	12.2
87.00889	3.5
89.02457	34.9
89.66534	1.5
97.02951	3.9
99.00900	7.7
101.02450	32.8
102.05611	2.2
108.02200	1.9
113.02470	17.7
116.05064	8.9
119.03509	12.0
125.02435	2.2
128.03542	1.9
130.06650	8.5
130.10233	1.9
131.03610	5.5
133.02931	1.6
142.06648	2.9
143.03470	2.3
144.04561	13.9
144.08231	4.4
145.05350	2.4
146.06129	88.2
147.03246	5.2
147.06439	2.6
148.23547	1.9
149.04524	1.7
156.08212	5.7
158.06093	7.0
160.04095	8.0
160.07701	9.4
161.04585	15.6
166.06569	2.5
170.06123	9.3
170.09802	1.7
172.07697	2.4
174.09242	6.2
177.01950	3.0
179.05629	3.6
184.07648	1.6
188.07190	28.3
190.05124	4.0
200.07146	6.0
202.08701	2.0
205.29065	1.7
206.04665	2.6
206.08176	3.5
218.08279	12.3
230.08284	2.1
242.08099	2.5
254.08218	2.6
290.10269	2.4
293.08813	7.0
304.08121	3.8
308.11371	19.5
309.11496	1.9
341.10913	7.5
425.20273	2.1
440.15704	35.4
441.09793	1.8
441.15848	3.9
484.14651	100.0
485.14938	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	484.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.7
64.23651	0.4
67.29462	0.4
69.73965	1.4
69.74304	0.5
71.01389	3.5
73.02950	1.1
76.73040	0.4
89.02480	3.4
99.00918	0.5
101.02469	1.3
125.02460	1.6
131.03787	10.5
131.04752	0.9
148.04066	1.8
158.02463	3.7
174.01793	0.6
175.02771	4.0
189.04367	2.8
190.05121	100.0
191.05524	4.6
219.10622	0.5
233.06729	1.6
293.08875	1.0
409.83890	0.6
484.14716	30.0
485.14905	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	484.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
57.03450	2.3
59.01383	12.3
61.98826	1.5
69.03459	1.2
69.40646	0.8
69.40935	4.3
71.01386	17.5
72.99291	1.0
73.02950	5.2
83.01398	2.1
85.02958	6.6
87.00892	2.0
89.02441	8.2
93.03498	1.3
95.01409	1.6
97.02953	3.2
99.00893	0.9
99.04545	1.2
101.02453	20.4
106.71024	0.8
113.02456	10.3
116.05076	100.0
117.05412	3.4
119.03498	0.8
131.03543	1.7
133.03052	0.9
135.04538	2.3
142.06621	1.6
143.03490	2.7
144.38638	0.8
144.51634	0.8
149.04549	0.9
158.06052	0.9
160.04053	90.4
161.04451	5.9
176.01237	1.2
177.01945	22.4
178.02290	12.7
179.03532	1.7
179.05621	1.6
190.05162	1.4
191.05609	2.0
202.05142	1.9
204.86803	1.0
214.05162	3.4
232.06111	2.5
243.59703	1.0
265.05078	4.1
274.07330	1.2
277.96719	0.8
278.24493	0.9
286.87012	1.1
304.08258	21.8
305.09015	0.9
309.03931	1.7
339.07181	2.8
340.07590	6.6
341.11002	2.0
382.08688	2.2
425.20343	2.2
483.30661	0.9
484.14682	40.4
485.15326	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	484.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84483	4.9
59.01376	29.8
61.98843	47.9
66.15588	5.2
71.01374	7.8
73.02920	5.0
75.28768	4.9
82.94396	5.5
85.02924	6.5
86.41743	6.4
86.55253	5.3
93.56035	5.6
97.54942	5.0
101.02465	9.0
102.05568	5.5
117.80570	5.5
123.99242	5.7
142.64258	6.3
165.12866	23.1
179.03587	5.5
183.13921	60.6
197.15523	12.3
197.83002	5.6
204.03099	13.3
206.04614	6.5
227.12907	100.0
269.13416	6.8
289.92038	5.9
308.10507	5.7
329.16003	17.7
484.12939	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	484.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21169	16.8
59.01380	66.5
61.98848	27.6
68.06482	17.2
70.84743	25.3
71.71014	18.3
73.76617	14.4
99.92594	20.3
104.99001	15.0
115.25520	17.1
121.02973	89.7
122.03308	60.3
146.04561	16.8
147.03293	16.0
160.84229	19.9
182.21823	17.7
193.15181	20.1
206.04573	58.3
275.24011	18.7
314.07465	25.6
325.48465	15.8
380.04465	23.5
385.54733	18.4
402.08835	100.0
439.98257	35.5
440.04529	15.6
440.99045	22.7
484.29123	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71563	5.7
59.01382	19.1
66.53435	6.1
71.01389	17.5
71.40518	5.2
78.71667	5.6
97.75681	5.0
113.02448	9.2
160.87682	6.0
178.21594	5.4
255.23354	14.9
256.23636	32.4
279.23309	100.0
280.23737	7.4
293.24927	22.4
321.24353	20.2
333.24329	8.3
351.25256	9.9
407.29407	7.1
423.32608	11.3
485.32867	52.3
494.77005	6.1
507.68719	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	484.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.2
61.98841	7.7
63.01047	4.6
64.46246	4.7
69.68487	17.5
71.01406	14.9
73.02949	12.3
74.64674	4.6
89.02454	6.2
113.02479	9.7
117.41891	5.6
176.90372	4.8
215.95792	5.1
240.50587	5.3
265.30759	4.6
275.23737	6.2
275.73959	5.5
279.23309	100.0
280.23807	8.6
293.24911	98.2
303.23315	10.8
321.24365	21.1
378.40564	4.9
485.32901	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	485.1249
Annotation	Tibeticanol
Peak:m/z	Relative Intensity
52.24827	1.1
59.01360	1.7
61.98821	1.9
101.94269	1.2
106.12847	1.3
106.59047	1.3
107.05035	2.1
139.07951	1.2
139.09171	1.4
140.48405	1.2
153.83882	1.2
160.48943	1.3
162.27985	1.5
164.93440	1.3
171.08231	2.3
173.13214	1.2
181.06554	2.5
191.12880	1.4
199.07700	3.5
215.07295	2.0
225.05550	1.3
241.05156	1.8
242.05930	1.6
243.06613	31.1
283.06204	4.6
467.11447	2.3
485.12436	100.0
485.32492	2.4
486.12610	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1245
Annotation	Tibeticanol
Peak:m/z	Relative Intensity
50.27182	1.3
59.01380	1.9
68.73196	1.0
68.82838	1.2
70.69485	2.8
75.07542	1.4
80.47363	1.3
81.88618	1.2
86.05984	1.2
89.02423	1.5
108.21048	1.1
109.13650	1.1
155.08704	3.0
157.06561	2.0
174.48338	1.3
183.08217	1.4
185.06105	2.5
197.06081	2.9
199.07643	8.3
213.05614	1.6
225.05656	2.2
227.03503	6.4
227.07111	2.3
228.04361	2.7
241.05185	1.6
242.05896	2.6
243.06638	100.0
244.06940	4.8
249.18652	21.5
253.09268	4.6
257.04572	1.9
485.12476	38.9
486.12863	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	485.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49654	0.2
59.01358	0.2
60.81794	0.2
69.37502	1.1
81.03473	0.4
89.03979	2.0
98.21887	0.4
104.02690	0.6
105.03476	3.1
107.01427	0.2
116.60629	0.2
133.02971	7.5
134.03308	0.2
148.01714	0.3
149.02449	0.9
176.01172	1.2
177.01944	100.0
178.02292	2.9
268.12466	0.2
485.13034	14.2
486.13287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91030	0.2
59.01382	0.8
60.03268	0.2
61.98822	0.2
70.50377	0.2
70.50685	0.3
71.01403	0.3
81.03480	0.4
85.03003	0.2
89.03977	1.8
93.03499	0.2
95.05043	0.4
101.02484	0.4
101.70604	0.2
104.02719	0.5
105.03478	3.7
121.02946	0.2
121.06612	0.7
133.02977	9.3
134.03474	0.2
136.11061	0.2
138.99570	0.2
148.01672	0.4
149.02431	1.2
151.25385	0.2
165.05591	0.6
176.01169	1.2
177.01949	100.0
178.02274	2.8
183.06651	0.3
199.28336	0.2
294.80200	0.2
386.39566	0.2
408.64624	0.2
455.83969	0.2
485.13025	13.9
486.13760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51432	0.7
52.71250	0.9
55.01869	1.5
59.01384	27.4
69.21276	2.0
69.21683	2.7
71.01392	25.1
72.99292	1.2
73.02949	8.4
74.76923	0.7
77.99298	0.7
82.95460	0.7
83.01391	2.9
85.02958	8.6
86.00099	1.2
87.00884	7.5
89.02456	11.7
95.01397	1.4
96.96011	2.5
97.02968	1.2
98.21886	1.4
99.00878	1.0
101.02457	14.9
107.35202	0.7
113.02462	10.1
119.03529	4.4
120.93707	0.7
124.06361	0.7
131.03505	5.4
132.04575	2.6
135.04546	2.0
138.01979	4.1
139.02319	1.2
143.03612	1.3
145.07690	1.6
146.04868	1.8
159.03024	1.6
160.06444	7.4
161.04561	6.0
161.07219	73.6
162.07573	2.0
175.08783	25.6
176.09221	0.7
179.03508	1.5
179.05664	1.4
187.08778	3.4
189.06715	100.0
190.07043	3.4
191.05624	1.3
201.10287	0.8
203.08284	23.6
204.08688	1.3
221.06694	8.7
229.09830	2.4
243.52823	0.8
247.43480	0.9
260.83081	0.9
305.11420	13.0
306.11874	0.9
323.12369	2.5
425.11014	1.2
467.16440	2.1
485.17838	97.8
486.18228	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	485.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	1.5
57.03438	3.5
59.01387	76.7
60.01725	3.0
61.98829	3.5
69.60297	2.5
69.60693	3.8
71.01388	53.4
72.01734	2.8
72.99314	2.6
73.02948	14.2
74.48317	1.5
82.95430	7.7
83.01403	6.2
85.02966	18.7
87.00891	4.3
89.02454	44.6
93.03471	2.2
95.01407	3.4
96.96025	2.0
97.02987	2.0
98.21958	3.5
99.00882	7.1
101.02460	39.8
102.02789	1.9
111.00883	4.7
113.02451	21.5
115.03996	2.4
116.05062	4.5
117.05424	3.7
118.03015	18.1
119.03503	9.0
121.02978	1.9
125.02431	3.7
127.04003	2.0
129.01935	10.3
131.03520	12.9
132.04565	13.8
132.64424	1.6
133.02951	2.1
134.03749	4.0
143.03569	4.8
146.06181	1.8
149.04573	9.1
159.02960	2.7
160.04070	4.8
161.04552	15.1
177.00424	2.8
177.01944	25.5
179.03568	2.6
179.05579	4.7
191.05649	10.2
193.05086	5.8
233.06796	1.8
237.05672	1.5
279.14407	1.6
293.08771	2.2
293.16058	24.3
305.08548	5.3
305.74796	1.6
341.10901	6.0
342.11282	6.1
351.11081	1.6
425.20319	100.0
426.20621	6.7
485.14841	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	485.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03441	0.3
59.01384	11.4
69.16673	0.1
70.87411	0.2
71.01389	5.7
72.99302	0.2
73.02947	1.3
83.01392	0.7
83.05035	0.4
85.02960	1.2
87.00878	0.6
87.86304	0.1
88.95953	0.1
89.02451	4.9
91.04012	0.1
95.01391	0.4
97.02973	0.2
97.06637	0.2
99.00906	0.3
101.02454	5.2
103.03967	0.1
113.02463	2.5
115.04009	0.2
119.03506	1.3
120.65623	0.1
125.02448	0.3
125.54630	0.1
131.03540	0.3
133.05103	0.4
143.03522	0.4
157.05064	0.2
161.04562	1.9
177.16452	0.3
179.05609	0.7
205.19617	1.0
231.17606	0.8
235.08270	1.2
235.96997	0.1
247.17055	0.4
249.18619	100.0
250.16273	0.2
250.18950	5.9
253.09309	15.4
254.09636	0.4
262.98636	0.1
485.19299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20499	0.2
55.01879	0.5
59.01384	10.2
59.97143	0.2
61.98829	0.2
63.24587	0.2
71.01384	5.0
72.99303	0.3
73.02956	1.3
83.01390	0.7
83.05032	0.5
85.02951	0.9
87.00884	0.6
89.02454	3.7
91.04005	0.3
95.01392	0.4
95.97366	0.2
98.21793	0.4
99.00922	0.3
101.02457	4.6
111.06673	0.2
113.02454	2.1
119.03522	1.3
133.05034	0.4
143.03534	0.4
161.04559	2.0
177.86523	0.3
179.05602	0.3
205.19653	1.1
231.17586	0.8
235.08253	1.2
237.39427	0.3
243.06656	3.0
247.16840	0.3
249.18613	100.0
250.18967	6.0
253.09303	16.0
254.09619	0.6
485.12500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76617	0.6
57.03441	2.2
58.02972	1.0
58.64968	0.6
59.01378	1.3
61.98830	1.5
67.01933	0.5
67.03043	0.6
69.18233	2.3
69.18641	1.6
71.05043	0.6
74.02472	1.7
82.02974	1.2
83.06139	1.2
84.04556	7.0
85.06557	0.8
97.04088	1.0
99.08170	1.2
101.07224	5.1
108.91714	0.6
109.04082	7.9
112.04077	4.0
125.03584	3.7
125.07227	1.1
125.09698	0.7
127.05145	32.1
128.03558	9.7
134.24803	0.6
143.10788	3.4
145.06204	70.5
146.06561	0.6
151.08765	1.6
152.65047	0.6
160.43707	0.6
169.09802	0.8
236.16588	0.7
285.04126	1.3
338.27121	1.0
339.25348	10.1
352.98517	0.6
395.32648	0.7
413.43726	0.6
423.32181	1.7
467.31342	1.7
485.32358	100.0
486.32687	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	485.3272
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
59.01368	0.4
60.39144	0.4
61.98809	0.4
69.65800	0.7
69.66176	0.7
71.05025	0.5
73.46739	0.4
87.18144	0.4
92.94605	0.4
94.92490	0.4
98.21890	0.5
98.35494	0.4
102.26353	0.4
111.34278	0.4
210.44394	0.4
248.89363	0.4
367.13416	0.7
423.32678	8.5
424.32983	1.0
437.30887	0.9
439.32187	9.2
440.32571	0.6
441.33768	0.7
467.31671	10.6
468.32117	0.7
469.87109	0.4
485.32751	100.0
486.33130	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	485.3276
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
70.78320	0.6
77.47569	0.4
81.32335	0.4
97.06604	1.5
137.09709	1.2
181.29176	0.4
200.64314	0.5
373.27374	1.4
389.28549	4.9
393.31760	1.8
403.30173	0.6
405.31677	14.5
406.31885	1.2
409.31088	1.0
411.32693	3.0
423.32635	1.6
437.30637	2.5
455.31760	6.7
467.31592	5.2
468.32037	0.5
485.32770	100.0
486.33112	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	485.3277
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
57.03437	0.7
57.26193	0.7
61.98813	0.7
69.56480	3.1
73.02942	2.5
82.29303	0.6
87.04516	2.7
145.74545	0.7
156.11160	0.7
175.04089	0.8
183.65997	0.7
186.98393	1.1
193.64755	0.7
240.20737	0.6
367.30258	1.7
395.29266	0.7
397.31186	2.8
397.84607	0.7
411.32690	1.2
413.30685	2.6
421.31042	0.6
423.33337	1.2
441.33813	2.4
467.31708	0.9
485.32764	100.0
486.33160	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	485.3274
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
52.65309	0.3
56.18269	0.3
68.37572	0.3
70.83250	0.4
73.02938	0.5
86.84956	0.4
143.94926	0.3
145.03130	0.4
395.29651	0.4
411.32495	0.3
423.32941	0.5
439.32214	5.3
440.32541	0.8
441.33762	12.3
442.34122	1.5
455.31387	0.6
465.99609	0.5
485.32776	100.0
486.33084	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	486.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	3.4
59.01162	0.7
59.01385	7.6
61.98848	5.3
63.80738	1.0
66.64531	0.7
69.03453	0.9
69.16621	5.7
71.01385	4.6
71.02495	0.8
73.02962	1.1
73.04073	16.2
73.17664	0.7
74.02480	29.5
82.06618	2.3
83.02533	0.9
85.02953	2.1
85.04029	1.0
87.00856	1.1
87.05649	2.4
89.02461	1.8
90.24551	0.8
91.01929	0.9
93.03461	2.3
97.04086	2.1
98.02484	3.2
101.02467	1.7
108.02169	1.1
109.02959	11.3
111.04542	1.0
112.02811	1.9
112.05173	9.8
112.07727	0.9
115.00404	2.8
115.05146	12.5
116.03529	2.1
119.03479	1.2
125.03605	0.9
126.09270	2.4
127.05128	1.2
129.06754	1.0
129.10338	5.4
130.06241	24.3
130.08739	3.8
131.04654	1.0
133.02975	2.8
135.00880	1.0
135.04535	3.8
139.08783	1.2
140.07198	2.8
141.10373	1.2
142.06233	2.4
143.11919	17.3
146.03743	3.4
148.05394	1.0
151.08791	1.7
153.01929	2.0
153.10361	2.9
154.06247	28.1
155.04651	1.4
158.03757	4.1
158.48021	0.9
159.04524	2.4
160.04051	1.0
161.02419	2.1
165.10439	1.1
166.06136	1.1
167.03471	1.4
168.11400	2.3
169.09839	5.6
172.07303	32.0
172.49706	1.1
173.04625	1.2
173.06030	3.6
173.07617	0.8
179.03543	1.9
179.07101	1.1
180.03648	1.0
184.07430	0.9
186.12405	1.4
187.10857	6.1
191.05653	4.8
192.00633	1.2
192.05995	1.0
193.01550	1.0
195.15092	1.3
197.16611	2.8
199.18173	1.7
200.14050	4.4
202.08333	2.7
210.12775	0.8
221.16615	1.4
225.16078	4.0
243.17020	1.1
256.20334	25.5
257.20618	1.0
266.05768	2.8
267.06628	6.3
268.07480	1.8
282.18283	1.4
283.09808	4.8
285.15585	1.4
286.14093	0.9
295.21371	0.9
297.95270	0.9
300.19376	1.9
313.22519	12.2
327.08835	4.1
357.08221	1.4
357.21475	3.6
370.24411	1.4
412.25882	1.3
426.23657	1.2
445.24881	1.0
456.24701	59.2
457.25073	5.8
462.03946	0.9
468.24753	8.2
486.25757	100.0
487.25784	9.9
487.31796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85241	0.7
60.46389	0.7
61.98837	1.2
69.91609	2.3
88.04052	56.4
89.04424	0.8
92.92829	0.7
133.03584	0.8
147.08203	1.8
149.09749	1.6
152.23216	0.7
163.11327	2.2
187.11250	1.7
277.85266	0.7
295.26291	0.7
298.62646	0.7
309.22379	2.8
322.19083	0.8
337.21759	100.0
338.22025	8.7
379.92361	0.9
388.69623	0.9
424.33334	1.1
480.99072	0.9
486.26944	8.2
486.33261	4.0
487.27054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.9
59.01385	3.8
61.98826	3.4
69.35463	3.7
71.01367	1.3
77.58950	0.7
84.04565	4.2
85.02950	0.9
85.06592	2.2
97.06586	1.0
99.08151	3.1
100.81178	0.8
102.05618	67.4
120.27254	0.9
123.08176	1.3
128.03554	80.5
129.03836	1.6
130.08754	5.1
143.10788	7.0
145.06194	1.3
146.04608	50.4
169.15982	1.1
193.37090	0.8
211.17110	3.9
255.73473	0.7
297.24457	2.3
313.27643	4.3
339.25433	6.1
357.26514	13.9
384.22873	1.0
442.31686	2.8
468.29895	4.8
486.30731	100.0
487.31076	8.4
509.02353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16482	0.5
59.01387	1.5
65.02546	0.5
66.15929	0.5
68.52117	0.5
69.83173	1.6
71.01396	0.6
75.85980	0.5
78.95913	25.5
79.95756	2.8
96.96027	100.0
96.96976	47.2
98.22606	0.7
101.02412	0.6
120.01293	0.7
121.13296	0.6
126.45599	0.5
133.02968	2.9
135.04510	2.4
161.02469	11.8
177.01852	1.0
178.02304	0.5
179.03522	3.7
206.04245	0.6
331.27560	0.5
487.14835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12392	2.0
56.65784	1.9
59.01379	8.0
69.54921	5.0
71.01421	2.2
82.92136	2.2
85.06619	1.8
100.82832	1.6
108.02187	42.7
109.02964	70.5
113.06124	5.7
115.04018	5.0
123.04547	9.3
125.48328	2.1
133.02960	5.4
139.03975	2.3
147.04616	2.4
149.02444	2.3
151.04021	6.9
152.01172	48.1
153.01935	14.0
159.40108	1.8
161.02460	7.5
161.04590	2.9
162.03258	3.0
163.04189	2.1
167.03482	12.7
175.03926	2.2
176.01140	2.5
177.01961	26.1
187.04010	4.8
189.01941	19.1
190.02737	9.2
191.03445	6.5
215.03278	2.0
216.00618	3.2
217.01488	9.4
219.02908	6.0
229.08795	2.7
231.03137	2.8
258.05786	1.7
281.04510	14.0
289.07297	3.0
297.04150	2.2
297.07727	7.3
299.05630	4.4
305.30914	2.1
315.07220	4.8
329.08887	3.4
341.06686	100.0
342.06982	9.3
357.08432	16.6
407.07825	2.3
449.09128	2.7
451.10370	27.0
452.10919	2.5
487.14667	33.1
488.15021	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20136	1.9
57.14463	2.0
59.01385	36.6
61.98833	8.2
70.08907	2.1
70.78470	3.6
71.01391	9.7
72.99317	4.3
73.02972	3.2
74.02489	5.4
82.95415	2.1
84.99354	2.9
85.02953	6.5
87.00888	25.1
89.02474	8.2
93.03474	8.8
96.96023	16.2
96.96957	2.5
98.95621	3.9
99.92606	3.4
100.93353	5.0
101.02447	7.1
103.00384	7.3
109.02444	2.0
109.02972	21.6
111.00859	2.9
112.98824	42.4
113.02479	4.1
115.28385	2.2
115.92137	5.9
116.05067	3.3
116.91132	2.2
116.92871	5.0
117.03473	6.9
121.03012	6.4
123.04548	4.4
125.02535	2.7
130.99863	4.9
133.02954	18.4
134.03760	78.2
135.04547	80.0
137.02489	7.3
139.00377	8.0
145.02953	7.8
146.03775	2.7
147.04570	5.1
149.00949	13.3
149.02530	2.1
149.06102	11.8
156.15923	2.3
159.04558	6.6
160.01849	4.3
160.04071	63.6
161.02490	29.1
161.04414	39.9
162.03134	5.0
163.04015	10.2
164.04861	4.5
173.02443	3.1
173.04573	9.5
175.04013	7.2
177.01970	8.6
177.05641	4.9
178.02760	8.3
179.03516	63.2
179.07141	8.8
179.10814	4.4
186.12500	2.4
190.02847	3.5
191.03664	5.5
191.05615	36.9
191.07248	2.3
193.05078	100.0
194.05499	6.0
205.05112	5.2
219.02997	30.8
221.06239	2.9
231.03052	4.0
233.04591	16.5
237.05687	3.4
239.07280	5.9
242.18776	2.7
249.05664	4.6
254.05930	5.1
264.04196	2.5
265.05121	6.3
267.06604	36.4
269.08261	3.2
293.02960	22.8
295.06128	5.9
307.04700	18.5
311.05609	6.7
311.09360	7.7
325.05807	19.2
339.05270	2.9
367.08655	4.4
456.28314	6.7
457.28549	3.0
486.29355	4.8
487.11310	10.2
487.24850	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	487.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90108	1.7
57.03442	2.5
57.56340	1.6
59.01392	3.6
61.98828	5.6
62.24132	1.7
64.94594	1.7
69.03487	2.1
69.21988	10.8
71.01424	1.8
81.03459	2.3
83.01385	2.5
86.38251	1.7
93.03452	1.7
95.05042	3.0
97.02973	4.4
108.22572	1.7
109.02968	16.2
118.98105	7.1
119.05030	82.2
120.01250	16.4
120.05398	3.4
120.99638	4.3
121.03008	4.5
123.04553	11.7
125.02485	9.9
132.42036	2.0
133.02982	5.1
135.04546	4.9
137.02489	10.0
139.04057	2.1
145.02971	4.8
147.04309	2.2
149.02473	5.4
151.04001	6.2
153.19920	1.8
161.02417	2.8
161.06073	3.9
163.04016	92.6
164.01233	3.8
164.04373	2.7
165.01927	3.7
175.04024	1.8
177.01938	2.3
179.03468	9.8
187.04074	2.9
203.07121	9.6
204.07539	1.8
205.05074	6.3
221.08467	1.9
227.07025	3.5
245.08234	15.0
247.06255	2.0
289.07202	100.0
290.07568	6.8
313.07144	1.9
325.09396	12.8
451.12454	32.2
487.14893	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	487.1462
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
59.01389	5.3
61.98831	0.7
66.26675	0.3
69.23077	1.9
71.01379	1.7
73.02943	2.2
79.46502	0.3
85.02962	0.9
87.00888	1.1
89.02462	1.5
93.03423	0.3
101.02467	1.9
102.05627	0.8
103.04025	0.5
105.03460	0.6
109.02954	0.5
113.02436	0.5
115.04017	0.6
115.08779	0.5
116.07186	0.8
117.03446	0.4
119.05042	1.0
125.02452	0.4
125.81921	0.4
128.03534	2.8
130.08760	0.8
131.03508	0.8
132.02161	1.9
133.02974	26.8
134.03674	1.2
135.04539	15.7
136.04880	0.3
143.03496	1.1
146.04663	0.5
161.02463	100.0
162.02788	2.9
163.04024	1.1
163.06143	0.6
175.04019	0.8
177.05594	1.2
179.03519	28.7
180.03835	0.7
180.10326	1.1
183.35333	0.3
191.05637	0.6
193.05066	0.6
193.90636	0.4
197.13007	0.4
203.03532	2.7
205.07156	0.6
221.04562	1.2
227.10406	0.4
230.95868	0.4
265.07056	0.3
267.06699	0.4
340.18848	0.6
358.19781	0.8
427.12732	0.4
487.14648	13.2
487.23892	2.3
488.15356	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.6
61.98829	1.1
69.03432	1.1
69.82920	3.1
71.01382	5.6
73.02948	2.3
81.03465	3.4
83.01363	0.8
85.02950	3.4
85.06596	6.5
89.02499	0.8
93.03468	2.6
95.01405	1.6
101.02449	2.9
107.01398	2.3
108.02184	100.0
109.02968	75.7
109.03581	1.0
110.03306	1.2
111.04483	1.1
113.02470	2.3
113.06094	14.3
115.04021	14.7
121.02947	1.9
123.04539	2.5
124.06205	0.7
125.02457	1.4
128.64255	0.9
133.03003	1.1
134.03772	1.0
135.00867	6.3
135.04488	2.0
139.04036	3.2
151.04018	2.0
152.01167	92.8
153.01956	31.0
157.05032	3.1
161.04575	4.5
161.84290	0.7
163.04054	1.4
165.01968	1.5
165.04016	0.8
166.02718	1.4
167.03505	19.3
168.03850	0.9
174.98087	0.7
179.03519	0.8
181.05107	0.9
246.59482	0.8
274.50745	0.8
297.06332	1.7
315.07199	12.2
329.08832	7.0
330.09473	0.8
357.08270	31.2
358.08591	2.1
469.13437	5.5
487.14606	66.5
488.14984	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	487.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45978	0.3
59.01387	1.5
67.54068	0.3
70.19922	0.6
71.01388	0.6
72.12337	0.4
83.01437	0.4
85.02942	0.5
87.00889	0.8
93.03481	0.4
95.84322	0.4
101.02451	0.8
107.05054	0.6
109.02966	2.5
112.98872	0.4
113.02422	0.5
119.05053	0.6
121.02995	0.5
133.02969	3.1
134.03741	2.5
135.04546	77.8
136.04852	2.0
145.02979	0.8
149.02466	0.6
150.89124	0.3
159.04547	0.4
161.02466	3.8
163.03978	0.8
177.01907	1.3
179.03520	100.0
180.03867	3.3
191.05635	1.1
193.05049	0.8
193.06618	0.5
195.02968	0.4
196.05193	0.4
203.03557	0.4
224.04593	0.4
258.68219	0.4
266.05783	0.4
267.06680	4.3
487.14825	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	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
61.98832	0.7
65.03973	1.7
71.01386	5.5
71.45126	0.6
78.03946	0.4
81.03470	0.9
83.01392	0.5
85.06611	1.7
89.02466	0.8
91.01910	3.5
108.02188	7.6
109.02961	88.2
110.03340	2.5
113.02460	0.6
113.06072	2.8
115.00387	5.3
115.04034	2.8
123.04520	2.3
133.01450	0.9
134.03690	0.6
135.00891	10.4
135.04535	1.2
145.03024	0.7
146.03757	5.7
147.04546	0.6
152.01181	3.8
153.01950	100.0
154.02290	2.7
157.05045	0.9
158.03743	7.9
159.04535	5.5
161.02423	0.7
161.06036	0.6
167.03508	10.7
167.25481	0.5
173.06062	5.4
175.03955	0.7
177.01833	0.6
179.03503	0.8
191.05548	0.9
195.03043	0.6
266.05835	3.3
267.06638	9.3
268.07281	4.2
281.08130	1.1
282.65643	0.6
283.09760	7.4
297.06189	1.8
315.07285	1.8
327.08737	6.6
328.08862	0.6
329.08704	0.6
344.38422	0.5
350.99826	0.5
353.06665	0.7
357.08224	5.9
469.13458	0.9
487.14627	7.8
487.30817	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	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95419	0.3
56.39289	0.2
57.19218	0.2
59.01384	2.9
60.65149	0.3
61.98829	0.7
63.89919	0.2
65.03969	1.3
65.63829	0.3
67.01912	0.6
69.46195	1.1
71.01392	1.8
73.02947	0.4
81.03473	0.8
85.02952	0.6
85.06598	2.0
87.00873	0.3
89.02458	1.1
91.01894	3.5
93.03485	0.3
101.02462	1.3
108.02184	5.5
109.02965	79.6
109.35001	0.2
110.03289	1.7
110.91829	0.3
113.02443	0.6
113.06100	2.1
115.00392	0.7
115.04037	2.7
121.02975	0.4
123.04543	2.2
127.05257	0.3
133.02998	0.4
135.00903	11.9
135.04536	0.6
136.01331	0.3
139.04083	0.6
146.03777	0.7
151.04112	0.3
152.01190	2.4
153.01955	100.0
154.02290	2.4
157.05063	0.5
158.03748	1.1
159.04529	1.1
161.02448	0.4
167.03514	13.0
168.03790	0.3
173.06091	0.9
179.03499	0.3
191.05647	1.3
195.02989	0.6
266.05731	0.4
267.06702	1.5
268.07501	0.4
283.09790	0.8
293.83405	0.3
297.06271	1.7
315.07278	1.9
327.08804	1.0
329.08893	0.5
357.08295	4.2
358.08755	0.4
469.13831	0.9
487.14578	6.1
487.24893	0.4
487.31015	0.6
488.15170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.2
59.01381	15.8
61.98857	1.0
63.08733	1.0
70.94408	1.4
71.01382	8.3
78.71878	1.1
85.02975	3.3
89.02453	3.6
93.03484	6.4
95.01336	1.1
95.22433	1.0
101.02454	3.9
104.84355	1.1
113.02470	4.7
117.03474	16.6
118.04278	2.4
119.05039	90.1
120.05370	2.0
121.02964	6.2
123.04477	1.1
131.03552	3.7
131.05070	3.2
132.05794	5.5
133.06613	22.4
134.06953	1.1
145.02968	78.7
146.03325	2.3
147.04546	3.8
149.06064	2.1
159.04524	3.0
161.06099	47.0
162.06451	1.5
163.04028	93.6
164.04344	3.2
177.05583	29.2
187.04036	4.5
205.05075	61.3
206.05318	1.7
217.05049	1.6
229.05151	1.2
235.06131	52.3
236.06538	2.0
265.07193	100.0
266.07544	4.8
287.18756	1.6
307.08392	1.6
325.09283	4.2
487.25229	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	0.8
59.01383	3.6
61.98842	2.8
70.58379	0.7
71.01385	2.7
72.04580	0.4
72.99329	0.5
73.02952	0.7
74.02493	2.4
75.31929	0.4
82.02969	1.0
82.80645	0.4
83.01382	0.8
84.04558	4.2
85.02938	0.9
89.02461	2.5
90.84216	0.3
92.37958	0.3
92.38673	0.4
94.31010	0.4
98.02504	0.8
99.05623	0.5
101.02431	2.6
101.07225	2.4
102.05601	4.1
104.24976	0.4
109.04080	6.6
113.02462	1.7
119.03510	1.4
125.03565	3.1
126.40379	0.4
127.05154	20.1
128.03552	10.8
129.77647	0.4
137.06300	0.3
144.03006	0.5
145.06206	100.0
146.03438	0.6
146.04614	12.7
146.06456	2.1
161.04565	1.2
178.21928	0.4
179.05621	1.3
236.92438	0.4
246.01196	0.4
247.33098	0.4
341.10873	4.2
381.17001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.3
61.98835	46.9
63.51968	1.0
71.01388	6.8
73.02970	1.2
74.02490	2.4
75.31499	1.3
78.95400	1.1
78.95905	2.0
79.80380	1.0
83.01379	1.6
84.04555	3.5
85.02988	2.1
89.02457	6.5
101.02456	3.5
102.05602	2.8
109.04080	5.1
109.47827	1.1
111.04614	1.4
113.02464	3.0
115.00384	6.9
118.98122	3.0
121.45370	1.3
125.03588	2.7
127.05151	18.0
128.03549	8.5
133.01433	1.6
145.01523	3.0
145.06200	100.0
146.04630	11.0
146.06468	1.4
179.05591	2.9
189.04085	3.5
192.94930	1.2
199.40959	1.1
289.07083	2.0
303.59988	1.1
333.08499	1.4
341.10867	5.0
351.09253	2.6
391.09149	1.9
424.89328	1.2
425.87494	1.3
473.41086	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90845	0.6
55.99070	0.5
59.01384	4.8
61.98835	1.9
62.19328	0.6
71.01389	2.0
71.55132	0.6
72.81703	0.5
73.02960	0.6
80.43726	0.7
85.02940	0.8
85.06599	1.7
87.00889	0.7
93.03468	1.3
95.05058	0.9
101.02436	1.6
113.02526	1.2
121.02959	1.6
122.03787	0.8
123.04539	64.4
133.02968	3.0
135.04533	2.2
139.03984	1.4
151.04027	0.8
152.04797	1.4
153.05594	100.0
154.05937	2.8
161.02443	8.5
171.10263	1.1
179.03494	2.2
191.05646	0.6
195.06670	2.3
255.02966	1.4
285.03973	0.9
297.09799	5.2
315.10886	5.0
327.08856	0.8
357.12164	3.1
487.08060	0.8
487.24091	0.7
487.30725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67569	78.7
71.44389	79.8
85.91343	86.8
88.54179	83.1
98.43167	73.7
99.39621	78.3
101.19289	94.8
121.96849	80.1
122.45285	81.0
129.63956	81.5
215.35020	88.9
474.12930	83.0
486.02081	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	487.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
59.01383	8.6
69.47324	0.8
71.01384	4.8
73.02953	1.3
78.84798	0.2
79.79705	0.2
83.01369	0.4
83.05038	0.3
85.02952	1.1
87.00891	0.6
89.02457	3.5
90.32379	0.2
90.70917	0.2
95.01366	0.3
97.67487	0.2
97.79106	0.2
99.00881	0.3
101.02460	4.0
103.03978	0.2
103.62438	0.2
110.20943	0.2
113.02488	2.0
114.02731	0.2
116.10335	0.2
117.88577	0.2
119.03490	0.9
131.03557	0.2
161.04578	1.7
179.05569	0.6
233.19157	1.1
235.08266	1.0
251.20175	100.0
252.20506	5.9
253.09302	13.6
305.86505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39957	14.2
61.98840	23.4
69.23177	45.8
69.23603	41.1
69.26899	13.8
103.35990	12.7
109.02979	13.8
475.32663	14.7
487.27280	25.0
487.34088	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	487.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36055	0.9
61.98831	1.6
70.49395	1.4
80.89123	0.9
90.92815	0.8
100.93901	0.7
113.02265	0.8
148.38480	0.8
170.96654	0.8
252.92766	0.8
389.28506	3.1
391.30078	3.2
405.31479	7.7
407.33231	5.1
413.34280	3.3
439.32361	2.3
457.33197	5.0
469.33127	3.0
487.34357	100.0
488.34750	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	487.3432
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
71.05040	2.4
87.35638	1.5
97.41226	1.3
128.52618	1.6
226.60699	1.3
287.04233	1.6
357.76974	1.4
427.31888	2.1
467.31390	2.9
469.33203	10.8
470.33344	1.8
487.34332	100.0
488.34860	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	487.3434
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
61.98844	1.3
68.93557	0.7
71.38400	0.9
78.02229	0.7
84.71085	0.7
89.46844	0.7
90.33353	0.7
114.01038	0.8
171.56192	0.7
342.28262	1.0
425.34094	1.6
443.35263	6.0
487.34335	100.0
488.34781	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	488.126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63850	0.5
59.01391	3.8
61.98837	100.0
62.11053	0.4
71.01377	2.5
76.53996	0.5
83.05040	1.1
89.02432	2.5
98.22622	1.3
101.02451	1.2
101.49560	0.5
102.05632	1.5
111.04546	1.9
113.02464	0.8
115.00409	1.0
119.03539	1.5
128.03554	1.0
130.72238	0.5
135.04552	3.4
141.05605	0.5
146.04611	3.7
155.03540	0.6
177.07364	0.5
179.03534	3.8
179.05646	2.6
257.45801	0.5
293.12442	0.5
335.09937	1.6
347.09772	0.7
365.11157	1.3
488.12402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.4
61.98836	4.2
69.55585	1.6
70.50505	2.8
71.01381	3.9
71.27646	1.6
85.01465	4.3
98.22513	1.7
98.99380	11.0
101.00968	7.1
102.98889	3.4
113.00961	3.2
116.65601	1.6
117.00453	6.5
125.00979	7.5
130.08743	11.2
134.04883	1.6
141.00449	42.2
145.00061	2.4
153.00439	9.1
154.07271	2.2
155.02072	2.1
157.99512	3.5
160.01149	1.8
162.42282	1.8
167.01945	2.1
171.01468	3.7
183.01474	2.5
186.06319	1.9
188.07790	9.1
195.01517	6.7
195.05145	2.1
196.04649	4.7
198.06264	6.3
201.02577	11.4
212.07809	100.0
213.08038	6.1
214.05710	16.6
215.05908	2.5
216.07275	35.6
216.09222	3.0
226.09441	2.4
228.07263	3.3
229.54056	2.0
238.09558	1.9
242.08871	18.6
243.09097	2.1
244.06818	19.2
261.04703	7.0
266.08841	9.6
272.09937	36.5
273.10001	3.3
332.11905	10.1
357.06827	21.4
358.07028	2.0
428.14307	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	488.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
58.85250	0.2
59.01369	1.2
59.32282	0.3
61.98836	100.0
62.11806	0.3
62.98539	0.2
64.62345	0.2
69.67671	0.9
71.01389	0.5
73.02927	0.3
77.71806	0.3
82.49500	0.2
84.56894	0.2
87.00893	0.4
89.46707	0.2
99.45691	0.3
101.02452	0.3
105.01968	0.5
106.06707	0.3
108.02185	0.4
113.39711	0.3
120.99687	0.5
121.02992	0.8
133.03035	0.2
134.03809	0.3
135.04584	1.7
136.01654	0.3
137.02496	0.4
147.04677	0.2
151.04053	0.7
161.02538	0.8
165.04027	1.7
165.64355	0.2
179.03561	0.8
191.03659	0.3
205.08830	0.9
238.06868	0.3
255.03021	0.3
327.07434	0.8
327.12460	0.9
345.16068	0.4
387.75967	0.3
387.87845	0.3
488.31293	0.4
489.14682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57393	0.4
59.01390	3.1
59.95674	0.5
63.06263	0.5
68.61161	0.5
71.01385	1.9
72.99326	3.0
81.14478	0.4
87.00883	16.6
88.04066	0.5
93.03460	0.7
96.00915	0.7
101.02478	0.5
101.03898	0.5
103.00386	1.0
108.02225	0.8
109.02966	16.2
112.98807	0.8
113.02517	0.4
115.00397	3.8
118.43365	0.4
119.05049	5.1
121.02943	2.6
123.04562	1.2
129.03481	9.8
130.04222	1.5
130.99883	3.7
131.05081	0.5
133.02890	0.7
135.04532	1.8
139.00385	1.1
145.02983	3.3
146.03729	4.9
147.04539	100.0
148.04854	3.0
149.00935	10.6
156.68954	0.5
157.01483	2.1
158.03772	1.0
159.04530	11.3
175.02509	7.6
177.01942	0.5
179.03522	2.1
203.03630	0.5
225.11456	1.3
229.01488	2.7
249.05534	0.6
251.07083	0.7
252.08109	0.8
267.06525	2.8
268.64493	0.5
269.08212	31.5
269.12915	1.3
270.08551	1.2
277.05209	1.4
278.05893	0.6
290.34177	0.5
295.06311	2.3
313.07205	31.6
314.07550	1.7
339.05063	5.5
339.39600	0.6
357.06335	0.5
371.12479	0.9
409.14139	0.8
427.15152	0.7
442.24536	0.5
489.06622	3.4
492.82877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1044
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
59.01384	4.2
61.98828	1.8
63.02396	1.1
65.00327	1.9
65.55026	0.5
66.70711	0.5
69.81487	1.6
71.01382	1.7
83.01411	1.0
89.02438	0.8
93.03457	0.9
97.35876	0.4
101.02447	0.9
103.00294	0.5
106.31750	0.5
107.01416	3.9
108.02204	2.3
109.02962	3.7
113.95592	0.4
121.02959	3.1
125.02470	1.0
133.02930	0.7
135.00880	0.9
145.02959	0.5
148.01726	2.7
149.02438	0.5
151.00377	16.5
151.01569	1.0
152.61400	0.4
159.04510	0.5
161.02383	0.7
163.00389	3.9
164.01173	1.3
165.72282	0.4
169.01443	0.8
175.04068	0.5
178.99889	7.8
183.04494	0.6
187.03976	1.3
190.99809	0.5
193.01396	0.5
199.03996	0.9
201.05499	1.1
201.11334	1.3
203.03503	0.7
211.04019	2.4
213.01970	0.5
215.03503	0.6
216.04181	0.5
226.02699	1.1
227.03511	3.4
229.05013	1.1
243.02998	12.3
244.03525	0.9
245.04546	2.5
254.02254	1.9
255.03004	30.7
256.03436	1.8
267.15872	0.9
271.02499	58.5
272.02951	3.7
273.04037	1.7
283.02536	2.1
285.04324	0.6
299.02002	1.6
300.02774	100.0
301.03528	54.7
302.03925	3.0
309.20685	0.8
311.64224	0.5
327.12363	1.9
373.26007	0.6
386.39679	0.5
429.08041	0.6
447.09384	3.5
489.10434	58.0
489.26639	6.3
490.10822	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	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65465	0.6
59.01385	14.9
61.98833	1.0
71.01380	2.3
73.02941	1.9
83.01372	0.6
85.02955	0.7
87.00889	1.3
89.02448	5.1
91.05529	0.9
93.03488	1.2
95.05022	0.7
101.02451	2.5
105.03443	0.8
108.02169	1.2
109.02963	26.1
115.00388	0.9
119.05038	5.9
120.32158	0.7
121.02960	4.0
122.03834	0.8
123.04539	1.9
125.02449	2.3
129.03493	9.8
130.04265	0.7
131.03474	0.8
133.03004	1.9
135.04547	2.7
145.02980	4.3
145.04858	0.7
146.03743	7.2
147.04539	100.0
148.04842	3.2
149.00964	0.8
149.04567	9.7
149.99611	1.0
157.02893	0.9
158.03766	1.6
159.04524	21.4
160.04909	0.8
161.02464	0.9
161.06120	0.8
163.06145	1.4
168.00665	1.9
175.03935	0.9
177.01971	2.1
179.03497	3.5
191.05617	1.4
203.03543	2.9
221.06030	1.4
225.11322	0.7
225.15181	0.7
229.01411	6.9
230.01959	0.7
249.05476	1.3
250.06258	1.1
251.07253	0.9
265.05194	0.7
266.05765	1.1
267.06644	5.6
269.08218	43.1
270.08603	2.4
277.05093	2.9
280.03687	0.9
293.04745	0.9
295.06116	8.5
313.07224	21.3
314.07617	1.3
339.05078	30.1
340.05554	2.0
357.06158	1.8
445.11475	2.8
489.10504	12.6
490.10840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.7
59.01384	33.0
60.70375	1.3
61.98831	7.4
65.91969	1.1
69.03467	11.6
69.27602	1.4
71.01392	14.6
73.02975	1.4
78.95926	3.3
80.91708	5.8
83.01395	1.5
85.02955	7.7
87.00896	6.0
87.04523	3.2
89.02460	12.4
89.83549	1.3
95.01425	1.6
96.96024	11.4
96.96999	4.7
98.95613	11.9
98.96482	2.4
98.97385	1.9
99.00899	3.6
99.92601	5.1
100.93362	8.8
101.02454	13.1
101.93391	1.4
111.00906	2.7
112.98554	1.8
113.02464	25.2
115.92072	11.4
116.92856	9.6
119.03532	7.1
121.02912	1.5
123.00691	2.8
124.98608	2.5
127.63885	1.3
131.03531	23.5
133.05063	1.3
135.04536	25.1
137.02252	3.2
141.01787	2.3
147.04573	4.1
151.03798	4.0
153.01714	53.6
155.03345	1.6
161.02435	3.7
162.02739	1.4
165.04065	3.0
179.03539	31.4
186.16159	1.2
207.02831	1.5
213.03856	5.4
223.02534	1.4
225.03856	3.8
229.22820	1.5
293.08826	50.3
294.09140	2.5
315.07019	100.0
316.07373	3.1
327.09589	3.2
331.03360	1.8
341.08838	6.8
359.05630	1.9
391.05405	2.1
398.98987	1.7
407.12042	14.9
409.58710	1.7
453.01376	5.3
489.15344	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	489.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.0
61.98835	2.2
70.61974	0.6
71.01390	2.2
73.02929	0.6
75.00896	1.0
85.02966	1.0
87.00888	3.4
89.02449	1.7
99.00871	0.7
101.02444	1.0
105.01962	3.1
107.05037	1.0
113.02454	0.8
119.03518	0.5
121.02970	21.8
122.03273	0.5
125.02468	0.5
126.67352	0.4
128.03618	0.7
133.02989	0.7
134.03772	2.8
135.04539	93.3
136.04869	2.2
146.87889	0.4
147.03003	1.3
147.04506	1.3
161.02452	2.7
165.04062	15.0
177.05620	0.8
178.02704	0.4
179.03514	100.0
180.03853	3.3
203.42308	0.5
208.07556	0.5
221.04774	0.5
221.93848	0.4
237.24931	0.5
269.08093	0.5
323.07629	1.0
327.07202	1.8
327.10699	0.5
341.08786	25.6
342.08948	1.2
489.12454	21.7
490.12650	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03455	2.0
57.92466	1.6
58.00593	2.4
59.01387	29.2
61.98835	8.6
64.41081	1.5
68.99662	1.7
69.03466	8.0
71.01389	19.5
71.06049	1.5
71.42282	2.0
73.02913	1.4
75.00866	2.7
78.95915	4.8
80.91695	2.2
85.02979	6.2
87.00895	4.6
87.04537	4.5
89.02457	14.5
96.36711	1.5
96.96019	26.3
96.96985	5.7
97.95910	1.6
98.95606	23.3
98.96426	3.6
99.00886	9.6
99.92607	5.7
100.93370	10.7
101.02480	12.1
111.00912	5.3
113.02458	23.6
115.92091	15.2
116.92891	7.5
119.03520	4.8
121.02964	4.0
123.00706	3.3
131.03532	24.3
133.03009	2.4
134.03752	1.7
135.04550	59.4
136.04944	1.8
137.02254	2.6
141.01779	4.2
143.03542	1.6
147.04527	2.7
151.03854	1.7
153.01715	48.5
161.02467	3.6
165.04088	2.6
179.03531	74.9
179.05125	3.6
180.03860	2.6
196.95526	2.0
197.00748	2.4
213.03850	5.9
225.03889	5.1
293.08810	51.0
315.07001	100.0
316.07379	4.2
327.09381	2.5
331.03406	2.8
338.97549	1.4
341.08810	12.9
359.06241	1.6
391.05722	7.4
407.12109	14.7
453.01334	7.2
489.12689	5.0
489.22235	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	489.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.4
59.01386	19.4
61.98829	3.3
71.01388	20.0
71.43643	1.5
72.99307	4.1
73.02946	3.6
74.60535	1.0
76.40942	1.1
83.01382	4.4
85.02954	4.4
87.00888	42.1
89.02451	5.4
94.44338	1.1
95.01368	1.3
99.00907	1.0
101.02444	5.1
103.00324	1.8
108.42863	1.1
109.02973	10.4
111.00889	5.1
112.98823	2.4
113.02473	3.8
115.00386	49.0
116.49734	1.1
119.03514	2.5
119.05038	3.4
121.02966	4.1
123.04486	1.2
129.03520	7.0
130.99852	2.4
131.03455	1.4
133.02985	1.8
135.04532	4.8
139.00400	13.4
145.02975	2.0
146.03731	4.4
147.04536	81.4
148.04903	2.8
149.00945	12.1
149.04611	1.5
157.01448	23.4
159.04509	9.8
163.11429	1.2
175.02501	100.0
176.02867	1.9
177.02052	1.2
179.03490	5.9
179.10916	1.3
181.12306	2.7
183.06827	1.2
191.05716	1.8
207.05412	1.1
225.11331	15.4
226.12347	2.6
229.01384	2.1
267.06586	1.3
269.08273	22.4
269.12894	11.9
270.08563	2.1
291.72501	1.2
313.03720	1.2
313.07141	21.1
313.11917	11.0
315.04483	1.2
339.05045	5.5
341.11411	1.4
343.12915	3.6
357.11932	2.4
371.12503	7.5
373.14047	1.7
391.12811	1.6
409.14163	8.4
412.22467	1.3
427.15009	9.6
429.12930	2.8
489.14063	1.5
489.20316	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	489.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
59.01086	1.2
59.01385	21.5
59.20890	0.6
61.98840	2.6
70.11411	1.6
71.01386	10.3
72.21288	0.6
73.02943	3.1
81.51710	0.6
83.01398	0.7
85.02965	3.7
87.00890	5.2
89.02449	11.4
95.01385	1.5
99.00879	0.9
101.02468	8.2
107.05045	1.3
108.02206	2.1
109.02969	2.8
111.80459	0.7
112.98820	0.7
113.02459	3.7
117.03519	1.8
119.03494	3.5
119.04955	0.9
121.02993	1.6
123.04520	0.9
125.02464	1.4
129.03481	0.9
131.03502	0.7
132.02162	2.2
133.02975	26.3
134.03796	5.1
135.04546	79.6
136.04875	2.0
138.01994	16.1
139.07655	2.0
145.02911	0.9
147.04535	14.8
149.00951	3.3
149.02446	1.6
159.04538	1.9
161.02470	100.0
162.02826	2.6
165.07700	6.1
175.02435	0.9
177.01752	0.7
179.03522	41.6
180.03836	1.3
191.05611	0.8
199.07574	0.7
239.07501	0.7
269.08197	5.8
293.08728	0.6
309.11923	2.2
313.07224	4.3
327.12817	5.2
327.16077	0.9
339.05072	1.3
357.15366	0.7
489.16061	68.4
490.16675	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	489.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	49.2
59.01385	25.0
61.98839	7.0
69.27983	4.9
69.28392	10.0
69.45367	2.6
71.01387	9.3
73.02959	3.3
73.04112	2.9
75.94703	2.8
85.02972	3.6
87.00887	8.1
89.02465	12.4
93.03481	2.9
99.00863	4.1
99.04543	31.2
101.02459	18.6
109.02976	2.4
111.00932	2.7
113.00688	2.3
113.02462	3.3
121.02951	3.0
122.03702	2.9
125.02475	14.0
127.05157	3.5
128.03531	4.4
131.03542	4.2
134.03755	18.3
135.04517	4.2
147.04527	11.6
149.01031	3.0
149.04570	6.8
149.06068	10.6
150.03246	7.0
153.01953	15.3
153.05600	6.9
161.04610	4.5
162.03233	9.6
168.04259	23.8
175.04068	3.7
176.04796	3.2
177.05585	10.2
179.03542	2.8
183.03073	3.6
183.06636	100.0
184.07040	3.1
191.05603	6.7
191.07123	3.1
193.05026	12.3
200.38748	2.5
203.07166	2.7
235.06071	13.6
242.67343	2.8
267.08661	9.2
269.08127	2.9
313.07050	3.9
489.15771	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	489.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	0.9
59.01388	14.4
61.98818	1.7
71.01389	7.1
73.02932	1.5
75.00878	2.1
83.01365	0.9
85.02901	1.8
87.00880	4.2
87.43435	0.8
89.02456	7.2
93.03486	1.0
96.96000	1.3
101.02453	4.2
106.08102	0.8
107.05047	1.4
109.02956	1.4
113.02455	2.3
115.04068	0.8
117.03453	1.4
119.03531	2.3
119.04984	1.2
120.01294	1.1
121.02974	100.0
122.03329	2.2
129.03481	1.0
132.02187	1.4
133.02986	21.6
134.03809	4.0
135.04546	51.5
136.04860	2.1
145.02963	1.0
146.03781	1.2
147.04539	13.0
149.00916	1.8
159.04572	1.8
161.02467	74.0
162.02849	1.8
165.04066	7.2
165.05505	1.2
165.07715	3.9
175.02528	1.3
179.03523	45.5
180.03885	2.0
191.05664	2.7
205.08720	1.4
206.09158	1.0
239.07297	1.1
267.06662	0.8
269.08328	3.3
313.07416	4.1
327.09473	4.4
327.13217	2.7
341.08920	5.0
489.16519	29.5
490.16443	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54309	0.4
52.69554	0.4
53.18314	0.4
59.01372	1.3
80.91683	0.6
83.05032	1.2
100.15515	0.4
115.36014	0.5
118.04229	1.0
122.60966	0.5
145.02953	0.5
151.27498	0.4
162.03267	1.5
179.03522	0.4
185.06152	1.0
189.01942	1.2
190.02718	7.3
190.04356	0.7
191.03322	0.8
197.06070	0.7
198.06926	0.6
199.07648	10.0
200.08308	0.5
201.01901	1.5
203.03532	1.7
211.07785	0.7
222.01727	1.4
225.05670	0.8
226.49435	0.5
227.07086	2.3
229.05081	3.1
230.05823	2.0
243.06616	15.5
244.07312	4.6
245.08180	2.1
255.06668	0.5
256.07419	1.2
257.08194	0.9
299.12848	1.2
305.89151	0.5
327.12381	100.0
328.12738	7.0
345.18634	0.4
373.25854	0.7
489.17670	12.6
489.25372	0.8
490.18256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1768
Annotation	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside
Peak:m/z	Relative Intensity
50.56247	0.2
57.03422	0.7
57.66026	0.3
59.01384	4.5
69.03387	0.2
71.01387	1.9
85.02921	0.7
89.02462	1.4
98.21784	0.5
99.04517	1.5
101.02402	0.7
108.02126	0.3
113.02428	0.5
116.92851	0.5
121.06607	2.2
135.08144	0.7
143.45987	0.3
145.02959	2.9
146.03694	1.1
147.04498	0.4
161.02393	0.4
173.02477	1.7
174.03229	22.0
175.03893	2.1
183.08157	0.3
187.03952	0.9
190.02713	0.3
205.06575	0.3
206.02199	4.2
213.05559	1.0
214.06299	0.8
215.07133	2.7
223.07574	0.3
224.04602	0.3
227.07167	1.6
228.07936	1.1
250.67961	0.3
251.07124	3.5
259.69589	0.3
283.13397	34.2
284.13760	2.8
309.07724	0.4
309.11334	6.3
310.11581	0.7
327.12384	100.0
328.12704	7.3
341.13950	0.6
369.13525	1.5
412.83176	0.3
459.14203	0.5
489.17950	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	489.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36946	0.4
52.88823	0.3
56.74727	0.3
56.85593	0.4
59.01386	1.5
61.98821	0.4
63.87600	0.3
68.29926	0.4
68.66500	0.3
71.01376	0.4
71.41867	0.3
83.05045	1.2
88.25197	0.4
88.91721	0.3
107.05029	0.6
118.04279	2.2
121.17515	0.4
134.03706	0.5
145.02950	0.6
149.02451	0.3
161.02444	0.8
162.03210	3.4
171.08299	0.7
174.03252	1.3
185.06105	1.7
189.01945	1.8
190.02740	10.0
190.04335	0.8
191.03319	0.6
198.06888	1.0
199.07654	14.9
199.09430	0.8
200.08231	0.8
203.03589	1.7
206.02307	0.6
213.05547	0.5
215.07056	0.5
222.01718	2.7
225.05496	2.0
226.06367	0.8
227.07162	2.6
229.05049	5.3
230.05829	3.1
239.06947	0.5
243.06641	24.0
244.07381	7.4
245.04497	0.9
245.08017	0.5
257.04645	1.1
257.08218	2.8
259.05945	0.4
269.08212	0.6
283.13504	1.9
299.12912	2.0
317.48807	0.4
326.11465	1.8
327.12399	100.0
328.12741	7.9
357.26392	0.9
373.25861	0.5
383.70239	0.4
430.74374	0.4
489.17709	42.8
490.18130	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	489.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29149	0.5
54.44167	0.5
71.40237	0.9
78.95911	57.3
96.96971	6.8
135.56256	0.5
136.91776	3.4
150.98029	1.5
152.99603	100.0
153.99849	0.5
154.91632	0.9
171.00627	3.3
210.95505	2.3
235.07967	0.6
244.89659	0.6
253.21753	1.2
265.61676	0.6
277.21887	0.6
336.82819	0.7
389.86340	0.6
431.22028	16.7
432.22244	1.4
489.18005	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03447	2.9
57.67215	0.6
58.00589	1.2
59.01384	100.0
59.90528	0.6
61.98827	0.7
62.70423	0.6
68.01678	0.6
69.03470	2.1
69.34179	0.6
69.53712	2.9
71.01389	72.0
72.99317	2.3
73.02954	25.7
75.00881	5.0
81.03460	1.8
83.01388	6.8
85.02953	13.4
87.00877	10.1
89.02452	87.3
93.03463	1.4
95.01378	3.5
95.68324	0.6
97.02937	4.7
99.00208	0.6
99.00887	25.5
101.02453	47.4
103.00407	3.4
103.01511	3.1
103.04023	0.8
108.02155	0.8
109.02957	6.7
111.00892	1.9
112.98833	0.6
113.02467	19.5
115.04037	4.0
116.92851	1.3
119.03518	12.0
119.05044	2.4
120.99665	1.6
121.02983	2.2
125.02462	7.9
127.03978	0.7
129.03474	3.3
130.99884	1.4
131.03522	14.1
133.02998	0.7
133.10255	2.0
134.03654	1.0
135.04584	1.8
143.03517	5.9
145.02963	1.1
146.03772	1.6
147.04535	37.6
148.04881	0.9
149.00923	5.7
149.04570	44.3
150.05008	0.9
151.04042	0.9
155.56157	0.6
159.03142	1.5
159.04549	4.6
159.25386	0.6
161.04584	19.0
164.04829	0.8
166.02707	0.9
173.04599	0.8
177.09213	6.7
179.03503	1.1
179.05609	4.6
191.05620	12.2
195.10274	5.0
205.03755	0.7
209.02817	0.8
221.06683	1.6
225.11319	4.4
229.01465	1.2
233.06702	4.9
251.07753	3.6
269.08188	12.9
293.08878	3.8
295.06128	1.2
311.09692	0.8
313.07208	9.4
314.07446	1.4
325.20126	0.8
339.05164	2.9
357.11786	1.0
357.15582	21.0
358.16049	0.7
489.19867	89.6
490.12872	1.3
490.20209	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.3
58.53260	0.7
58.81388	0.8
59.01386	100.0
61.82113	0.8
69.20924	4.7
71.01394	18.4
72.99324	1.7
73.02954	23.3
75.00926	1.0
85.02969	8.1
85.37608	1.0
86.00114	1.3
87.00891	6.8
87.04533	2.3
89.02454	17.7
97.02969	1.5
101.02453	31.5
103.03326	1.0
103.04022	13.2
109.02964	12.6
113.02461	2.4
115.04043	6.6
119.03518	7.5
119.05033	1.9
121.02973	1.8
123.04503	1.2
125.02455	2.2
127.04052	0.9
129.03438	3.7
130.99887	0.9
131.03525	6.5
133.02983	3.1
134.03717	1.1
135.04550	7.6
143.03511	8.2
145.02982	2.5
145.05084	4.0
146.03723	2.9
147.04541	46.4
148.04881	1.5
149.00951	1.7
149.04558	3.3
159.04539	10.8
161.02461	1.3
161.04640	1.5
163.06142	50.8
165.04097	2.3
177.01933	2.1
179.03520	5.5
179.05580	1.3
179.10756	1.1
191.05608	1.2
203.03603	1.0
205.07179	14.8
225.14989	1.7
229.01411	3.4
265.09399	3.9
267.06625	2.5
269.08203	17.0
270.08676	1.2
277.05188	1.3
295.06079	2.5
313.07208	9.9
323.07800	1.3
339.05145	11.5
357.05972	1.0
387.20334	0.8
429.17471	5.9
489.10394	4.6
489.24463	0.8
490.11111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33780	0.9
55.01884	3.7
57.03447	2.0
58.95060	1.2
59.01386	100.0
61.98825	7.6
69.03468	3.4
69.07711	7.3
71.01385	58.5
72.99306	2.7
73.02957	22.7
75.00876	4.1
81.03469	2.0
83.01412	7.4
85.02959	18.9
87.00884	11.3
89.02456	33.7
95.01379	2.8
97.02974	4.1
97.34889	1.1
99.00905	15.0
99.04531	1.9
101.02456	37.7
103.00381	3.1
103.01514	4.5
109.02944	6.5
111.08144	3.1
113.02470	19.1
115.00396	3.3
115.04028	4.4
119.03510	4.1
119.05082	1.4
121.02940	2.7
123.04552	1.4
125.02473	9.5
129.01875	1.0
129.03474	2.5
130.99863	1.6
131.03511	4.9
134.03654	1.3
136.25067	1.1
139.07661	31.9
143.03519	5.6
147.03346	1.8
147.04539	37.9
149.00931	4.8
149.04561	13.0
150.04878	1.2
159.03044	3.9
159.04527	3.8
161.04572	27.2
175.02473	4.2
179.10796	1.6
181.12350	1.3
191.05681	5.5
195.10289	4.0
221.06480	3.0
233.06746	7.3
269.08179	11.8
285.04034	1.7
293.08783	5.2
313.07217	10.8
339.05206	2.2
357.15622	16.0
444.24701	1.6
489.19873	91.8
489.26987	3.3
490.20258	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21177	4.1
53.75195	4.0
61.98836	5.8
70.90625	7.0
84.85439	4.4
96.03129	5.1
101.16124	4.5
109.60207	4.4
127.69772	4.1
145.41811	4.3
157.27954	4.4
165.12830	11.1
197.02287	7.3
247.20459	5.2
261.93805	4.8
291.19739	100.0
366.94958	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	489.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72926	10.7
57.37000	12.6
59.01381	84.6
61.98824	46.0
69.49358	58.4
71.01383	27.0
72.90327	11.3
72.99300	17.6
85.02961	13.9
86.23582	12.3
89.02452	19.9
93.03452	13.1
98.22699	14.5
101.02442	21.4
113.02441	23.0
117.48989	11.6
119.05047	63.6
120.05424	18.1
137.53496	13.6
145.02954	53.1
146.03349	14.3
147.03488	14.5
160.50819	12.2
161.06055	35.2
163.04015	58.0
163.06709	14.3
164.04378	24.7
177.05617	18.3
178.02884	16.4
193.05070	27.0
205.05083	32.0
206.05267	15.1
207.05664	12.4
235.06111	24.5
236.06479	23.2
237.06758	14.8
255.03027	14.0
263.67697	14.3
265.07217	21.5
266.07495	37.5
267.07730	54.3
271.02417	16.5
300.02734	48.8
301.03482	18.2
305.22397	14.7
309.20938	12.5
327.21661	61.7
345.16736	13.9
384.07147	13.5
489.10815	18.3
489.21930	100.0
489.28503	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	489.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80102	3.9
57.03457	8.5
59.01387	73.2
61.98835	19.3
69.03453	4.4
69.29456	17.4
71.01386	42.9
73.02937	10.6
75.00892	4.0
81.60907	4.4
85.02957	16.8
87.00890	10.1
89.02444	24.1
92.46867	4.3
101.02447	19.1
113.02456	17.0
115.70367	3.9
116.92862	12.1
119.03501	9.0
122.82530	4.3
127.11292	4.4
133.03027	5.3
135.04538	11.4
147.04602	4.9
149.04549	7.0
155.10796	9.8
158.37709	4.1
160.04065	13.8
161.04431	4.6
171.10313	19.1
179.03474	9.1
191.05608	4.4
199.32443	4.6
203.26758	4.3
205.36363	4.1
209.11882	5.9
211.13335	5.7
227.12750	5.0
229.14426	18.5
284.03278	4.2
285.03961	9.1
291.19717	6.1
309.20718	14.9
327.21921	28.2
339.25293	6.0
357.22482	6.9
357.26434	62.7
453.24918	6.9
489.27875	100.0
490.28375	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	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90849	0.2
59.01387	2.9
63.34526	0.2
69.08117	0.7
69.08541	0.7
71.01398	1.2
85.02981	0.2
89.02455	1.8
92.37939	0.2
98.01214	0.2
101.02437	0.5
110.56693	0.2
113.02445	0.5
114.78435	0.2
119.03528	0.6
120.43317	0.2
125.87360	0.3
144.87328	0.2
162.83925	0.4
177.12802	0.3
179.05586	0.5
183.13911	12.3
184.14290	0.4
195.13914	10.6
196.14325	0.4
200.13438	0.2
211.13428	0.2
213.14981	100.0
214.15334	3.5
216.62123	0.2
313.25000	0.2
318.03146	0.4
393.94556	0.2
490.88696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20345	1.0
55.01878	1.7
56.14591	1.0
57.03436	1.7
59.01387	45.0
61.98840	6.6
63.24455	1.1
67.73609	1.1
69.03466	25.3
71.01022	1.5
71.01391	23.2
72.99289	1.7
83.01402	2.0
85.02988	5.7
85.66381	1.1
87.00881	2.7
87.04516	1.3
89.02450	16.6
95.01384	3.1
98.94841	1.1
101.02469	12.9
104.94750	1.1
111.04500	1.2
112.01659	4.0
113.02460	62.6
119.03503	4.7
131.03517	5.8
133.05116	1.2
157.38579	1.0
183.13832	2.2
195.13879	3.0
213.14981	24.9
241.72610	1.4
275.07672	3.8
293.08826	11.5
309.16861	1.2
489.23361	100.0
490.23648	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03441	1.7
58.00581	0.9
59.01384	43.9
60.01728	0.4
60.83199	0.4
61.98826	1.8
63.45306	0.3
66.54939	0.4
69.03461	5.9
69.14760	2.4
71.01388	21.4
72.99301	1.1
73.02930	2.3
75.00879	0.5
83.01388	3.0
83.05023	0.4
85.02961	6.1
85.56912	0.4
87.00871	2.0
87.04545	0.6
89.02453	15.2
95.01397	2.4
101.02451	14.1
113.02461	13.4
115.00365	0.3
119.03511	5.0
125.02470	0.5
128.03587	0.5
131.03513	3.5
161.04567	0.7
171.10277	0.7
176.03653	0.4
182.26791	0.5
183.13943	1.8
195.13914	10.5
209.15474	0.6
213.14957	7.4
227.16557	1.1
237.14995	0.9
255.16040	1.3
275.07706	0.8
293.08835	1.1
300.38525	0.4
327.21820	2.0
357.19241	1.7
357.26315	5.2
373.25998	3.2
375.20261	100.0
376.20526	5.2
387.34186	0.4
452.15756	0.8
489.22665	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	489.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.6
59.01388	100.0
60.01712	0.6
61.98841	0.9
69.67296	1.9
71.01392	5.8
73.02968	5.0
74.75406	0.4
82.90822	0.5
83.01435	0.7
85.02974	2.3
87.00909	1.5
87.04544	0.8
89.02464	6.1
93.03558	0.6
101.02452	8.6
103.04022	2.6
109.02985	2.7
113.02484	2.0
115.04050	1.6
119.03571	2.5
131.03535	1.2
133.02975	0.9
138.06839	0.7
143.03561	2.1
145.02972	0.7
145.05125	0.8
146.03766	1.0
147.04544	8.0
149.04591	1.4
153.09209	2.6
159.04547	2.1
161.04625	1.2
163.06148	10.9
177.02011	0.6
179.03545	1.1
179.10892	0.5
205.07127	3.1
220.60764	0.5
225.15007	6.8
227.14191	0.5
229.01476	0.8
241.86636	0.6
265.09558	0.7
269.08203	4.1
270.89020	0.5
313.07275	1.5
339.05087	2.8
353.75861	0.5
369.19220	4.5
387.20398	2.2
393.59680	0.5
409.90424	0.5
429.21896	4.2
445.11301	0.6
489.10318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.5
59.01384	28.3
61.98826	1.7
63.41131	0.5
69.03128	0.5
69.03464	2.8
69.90517	1.8
71.01392	12.6
71.05053	0.5
72.99330	0.6
73.02943	3.1
74.22758	0.5
75.00895	0.5
81.03477	0.5
83.01398	1.5
85.02965	3.1
87.00894	5.5
89.02444	6.6
95.01390	1.0
97.06609	1.3
101.02466	6.8
104.43027	0.5
112.98779	1.5
113.02455	9.2
115.00374	1.2
119.03522	1.5
123.08169	1.7
131.03517	2.2
139.11314	1.2
155.14465	0.8
167.14386	0.6
171.13872	0.6
181.12271	1.0
183.13890	1.6
185.11960	0.6
190.02609	0.7
191.05643	0.7
195.13869	2.8
197.11874	1.1
197.15410	1.1
199.13495	1.3
209.15378	1.2
211.13435	1.2
213.14992	8.1
227.16524	3.1
237.14998	1.7
239.12802	0.6
255.16132	2.5
275.07813	1.2
277.21771	1.1
284.52859	0.5
291.19736	1.0
293.08795	3.1
296.99820	0.6
309.20813	2.1
309.24298	1.1
311.22342	3.9
327.21722	2.4
327.25439	1.1
339.25275	1.0
357.26477	100.0
358.26816	7.3
373.25937	11.8
375.20282	19.9
376.20630	1.5
452.16257	0.9
489.27130	17.9
490.28104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44804	1.0
57.03440	1.5
59.01385	20.6
59.57582	1.0
61.98826	3.3
69.18313	6.1
71.01390	10.9
73.02975	2.1
85.02940	4.9
89.02457	5.3
93.03416	1.3
95.01430	0.9
95.72417	1.1
97.06615	2.5
99.04515	1.5
99.65797	1.1
101.02458	5.9
113.02465	4.3
119.03490	1.6
121.02982	1.9
127.11320	2.4
129.02016	1.0
135.04529	1.0
136.09947	1.3
148.04050	1.5
155.10789	7.0
161.04408	1.1
171.10277	8.7
209.11859	2.2
211.13393	11.2
215.48839	1.0
221.11824	1.4
226.61974	1.0
229.14465	25.0
230.14897	1.1
291.19620	5.8
309.20627	5.0
327.21814	10.4
360.62018	1.2
391.19901	3.8
447.22748	1.4
489.27112	100.0
490.27570	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
57.03440	1.5
58.00597	1.2
59.01384	38.6
61.98841	2.4
69.15676	3.3
69.16003	0.9
71.01383	18.2
71.03289	0.4
72.12673	0.5
72.99343	0.5
73.02949	2.4
74.02482	2.6
75.00882	0.5
83.01383	1.8
85.02955	6.4
87.00880	2.2
89.02448	10.9
94.10324	0.5
95.01402	1.6
99.00939	0.6
101.02459	9.1
107.08656	1.2
109.02995	0.7
113.02456	5.7
119.03531	3.6
123.08105	0.6
124.86694	0.5
125.09703	1.5
125.94637	0.5
127.11313	2.6
135.04514	1.0
146.13083	0.5
151.00363	1.5
155.10733	1.0
157.08743	2.4
161.02364	0.7
161.04538	0.5
165.09245	0.7
170.15562	0.6
171.10303	3.7
178.99944	0.6
179.03526	0.7
183.10391	0.6
185.11952	0.6
199.09732	0.7
201.11333	21.1
202.11633	1.1
221.15446	1.8
237.15031	0.5
243.02875	1.1
249.55489	0.5
255.03091	2.3
267.80728	0.5
271.02481	4.1
273.18561	0.9
284.03406	0.7
291.19754	1.5
300.02802	9.6
301.03537	4.2
306.81979	0.5
309.20758	5.0
327.21677	1.9
355.73816	0.5
357.26471	3.0
373.25879	1.3
384.24094	0.7
385.24292	2.3
399.96442	0.6
445.26163	1.4
447.22107	0.9
471.26358	2.6
489.10455	3.8
489.27103	100.0
490.10413	1.0
490.27432	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3226
Annotation	Homaline
Peak:m/z	Relative Intensity
57.03452	6.2
57.40274	0.9
60.93838	1.0
61.98829	1.3
69.03448	3.9
70.97063	1.2
80.02692	1.3
94.18149	1.2
107.05016	5.7
109.06599	69.0
110.06970	1.1
152.00967	0.9
203.34940	0.9
211.97075	1.1
333.01160	1.0
333.28098	2.5
357.27808	2.1
373.31134	25.0
374.31207	2.2
385.30966	6.8
401.34186	2.8
411.29175	1.0
418.50082	1.2
427.32205	10.3
428.31870	1.1
445.33246	56.6
446.33673	4.9
489.32251	100.0
490.32736	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	490.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.6
59.01387	9.8
59.47956	0.5
61.98837	100.0
69.12240	1.8
69.12647	1.5
70.22878	0.5
71.01402	2.9
73.02979	1.4
74.02473	4.8
79.05554	0.9
83.10732	0.5
85.02969	1.2
87.00889	0.9
89.02482	2.0
96.23370	0.5
97.06631	0.8
99.04532	0.6
101.02463	1.9
105.03543	0.6
108.02183	1.4
109.02988	1.8
110.03309	0.6
112.98828	1.4
113.02477	1.1
117.03430	0.6
121.02979	0.6
133.02998	5.3
134.03763	1.8
135.04539	11.1
135.05501	0.7
137.02502	0.8
139.04112	0.6
152.01193	1.2
153.43999	0.5
161.02467	19.1
177.02011	0.5
179.03516	7.0
179.10818	1.3
180.11163	0.9
227.03609	0.7
228.12422	0.7
256.03406	1.0
258.13406	0.7
283.10376	0.6
284.03403	1.2
285.03949	1.7
286.04456	0.8
333.95425	0.5
342.10074	0.9
427.16104	37.6
428.16650	2.9
428.26498	0.9
446.27722	1.8
490.15329	1.7
490.30695	6.0
491.30099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41661	1.9
57.03453	3.7
57.39927	2.0
61.98849	2.7
69.15955	8.8
107.05051	2.2
107.31211	1.8
108.04557	7.0
118.04276	7.4
121.06635	4.1
131.03830	3.9
132.04575	31.8
135.08167	4.0
145.02933	5.2
150.05632	7.4
160.02742	1.8
162.03224	6.3
182.14464	1.7
184.95616	1.8
189.01923	17.6
190.02737	29.1
199.07698	8.2
203.03517	3.5
204.04366	6.4
211.00645	1.7
215.07146	3.1
222.01729	5.5
229.05174	2.0
230.05862	3.9
236.03284	4.4
242.05864	3.1
243.06647	37.8
244.07300	2.1
253.81364	1.9
254.05971	4.0
266.05899	5.4
267.06714	4.0
281.08301	6.3
295.09671	3.9
297.11368	2.8
298.12152	8.6
313.14206	3.6
324.10022	3.9
339.12381	100.0
340.12851	5.1
343.11856	4.3
357.13480	31.9
472.17737	8.8
489.35239	2.6
490.18729	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.0
59.01387	50.9
59.28420	2.0
61.98834	20.0
65.30334	1.9
69.03448	3.3
71.01390	43.5
73.02956	11.4
83.01400	4.2
83.31104	2.1
83.68586	1.9
85.02966	16.3
87.00898	3.5
88.82505	2.4
89.02461	30.0
93.03439	2.6
95.01419	3.4
97.02977	2.5
97.06577	2.2
99.00909	2.9
101.02456	26.6
111.00936	3.2
113.02489	13.5
119.03505	3.5
121.02979	3.7
125.02454	5.6
131.03525	12.6
133.02905	2.1
149.04556	13.1
161.03447	2.5
161.04543	14.8
165.87155	2.4
171.10277	3.0
191.05611	3.3
229.14589	3.5
233.06718	3.7
293.08881	4.9
315.18155	18.8
316.18448	2.8
328.22018	2.4
358.26688	4.4
447.22400	100.0
448.22800	10.0
466.41977	2.7
490.27405	32.3
491.28110	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	490.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98843	19.0
70.18977	7.1
70.19321	17.0
71.01389	79.3
73.02959	17.6
85.02965	14.2
87.00877	13.1
89.02453	88.5
99.00906	16.2
101.02455	45.1
112.45992	6.8
113.02496	18.5
119.03522	11.6
120.70412	6.6
128.19972	8.1
131.03531	13.9
135.04532	8.2
149.04572	57.5
161.04675	8.4
179.05573	8.7
191.05681	9.2
200.59480	6.7
236.04367	8.1
293.08755	11.9
359.28085	67.4
447.22452	64.0
490.27792	34.0
491.28391	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	490.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.68728	0.8
63.34321	0.7
69.24162	4.3
69.66940	0.7
73.68953	0.7
75.16680	0.7
76.33857	0.7
98.21898	1.7
200.70013	0.7
285.49411	0.8
293.05597	1.6
293.08682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80763	1.2
57.03445	1.9
59.01385	20.7
61.98837	9.9
62.62231	1.2
69.20470	7.3
71.01395	9.4
73.02955	3.7
78.54590	1.1
85.02950	2.3
87.00879	2.0
89.02467	8.1
93.03447	1.6
95.04996	1.9
97.06590	3.4
99.00911	1.2
101.02448	5.4
108.02184	2.7
109.02975	1.8
109.49847	1.3
111.00874	2.3
113.02477	4.6
117.52723	1.1
119.03468	2.1
121.02957	5.5
122.03757	3.2
122.06142	4.5
123.04541	3.5
125.02453	3.4
131.03511	2.3
132.04559	2.0
133.02957	8.9
134.03758	11.4
134.06120	1.4
135.04541	82.8
136.04843	2.8
141.05602	2.7
146.03770	2.0
147.04520	3.9
148.04062	1.2
148.05234	2.2
149.02484	8.2
149.06102	1.9
150.03229	24.2
151.00540	1.1
151.04031	2.9
152.01207	1.2
152.07178	5.7
153.09253	2.9
160.01678	4.8
161.02477	19.9
161.04640	1.7
162.05597	1.2
164.04849	2.2
165.01839	1.8
165.05580	18.9
167.03497	3.3
171.10327	1.5
175.04048	7.4
176.04829	6.2
177.01935	4.2
178.02673	2.7
179.03517	100.0
179.06863	2.3
180.03967	4.6
191.05714	1.4
191.07199	7.9
192.06683	3.8
193.05092	11.8
195.06621	14.1
197.08212	3.0
198.40666	1.2
204.00862	1.1
204.06566	2.0
215.09251	1.6
220.03734	1.3
229.74773	1.1
232.14534	1.4
235.06113	14.0
235.08296	1.8
241.05402	1.5
243.03053	1.4
293.08878	6.3
295.08395	2.6
307.09680	1.3
311.07791	1.9
327.13629	1.8
329.06671	1.9
329.14236	1.5
341.10168	2.8
357.14642	9.3
358.15152	1.6
359.20792	1.4
365.96695	1.3
383.11459	3.7
389.92221	1.4
417.13651	1.4
429.14041	6.8
431.14014	1.2
455.11993	30.6
456.12436	2.0
491.18134	11.3
514.19293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40807	1.5
59.01385	37.3
66.80902	1.6
69.03456	2.6
69.70795	4.1
69.71181	3.3
71.01392	23.4
73.02948	4.3
73.84279	1.7
83.01396	1.8
83.05033	18.6
85.02960	5.5
87.00870	6.0
89.02446	28.2
93.03451	3.1
95.93186	1.7
101.02451	27.5
111.00860	2.6
111.04531	21.5
113.02455	17.1
119.03490	12.0
123.04540	2.9
124.92222	1.6
127.18334	1.6
131.03485	7.9
133.39180	2.1
137.02454	5.0
143.03543	2.1
155.03508	8.9
161.04587	4.1
161.19690	1.7
163.38835	1.8
179.03490	1.9
179.05608	9.3
188.39691	1.7
197.55211	1.9
241.57089	1.9
275.07751	24.3
293.08801	100.0
294.09152	4.3
317.08749	70.5
318.09097	3.9
329.08917	2.2
335.09912	3.4
347.09735	21.1
365.10886	4.0
377.10913	12.2
395.12030	12.1
491.11591	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	491.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25035	1.6
51.23949	1.7
51.27749	1.4
57.03455	1.5
58.00243	1.6
59.01384	36.8
61.54536	1.5
69.03465	2.1
71.01390	27.7
73.02958	4.8
83.01404	2.3
83.05035	17.8
83.09650	1.7
85.02961	7.6
87.00886	4.4
89.02450	26.8
93.03476	5.2
95.01456	2.1
95.05071	1.8
99.00909	2.0
101.02453	30.5
104.84468	1.6
109.02995	2.8
111.00864	2.1
111.04546	20.3
113.02457	22.8
119.03526	11.7
123.04535	4.7
131.03506	9.3
133.05052	1.8
135.04504	2.8
137.02501	7.6
155.03560	8.3
161.04562	4.7
165.05569	2.3
177.05630	3.1
179.05641	12.0
275.07816	24.2
293.08832	100.0
294.09311	3.5
311.32556	1.7
317.08807	67.0
318.09100	2.8
335.09723	4.1
347.09851	20.9
365.10953	2.6
377.10983	14.1
395.12125	10.4
435.01123	1.6
448.00528	1.8
455.13651	2.3
491.11780	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	491.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.8
61.98824	2.0
63.96248	28.7
71.01385	2.6
71.41163	1.1
72.99316	25.9
73.85388	0.7
73.98325	7.8
74.99090	2.2
80.98448	0.8
83.01398	8.2
89.02444	3.2
91.99401	1.9
101.02438	1.6
104.55558	0.8
112.98833	2.7
113.02428	1.1
117.97324	18.7
120.99654	3.2
121.03017	3.9
122.00845	1.0
122.03230	1.2
123.00890	2.9
123.04552	1.3
125.02474	1.3
131.03555	1.0
135.04539	9.0
135.98373	100.0
137.02419	1.7
138.03262	4.7
149.00935	1.4
153.05559	2.4
161.02425	1.1
166.02631	1.0
166.99846	1.7
167.03516	2.3
171.01186	1.0
179.03490	2.0
179.05609	1.1
182.02266	5.5
197.04568	17.7
198.04887	1.1
289.07144	1.1
291.07672	1.4
293.03040	0.9
318.35977	0.8
329.08936	0.9
359.09793	1.8
408.94501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03441	1.0
59.01390	3.6
61.98824	0.5
63.96240	0.6
69.26092	2.1
69.26508	0.7
71.01380	1.9
72.76926	0.5
73.02960	1.0
74.58340	0.4
74.99091	0.8
78.95908	2.4
83.01395	55.2
84.01711	0.7
85.02952	0.5
87.00871	0.9
87.04526	1.4
89.02470	0.8
93.95300	0.5
95.01389	1.5
96.96956	0.7
101.02467	0.9
104.82439	0.4
105.01992	0.7
109.03007	0.7
111.81518	0.5
112.98819	0.9
113.02470	1.6
120.99677	3.4
121.02960	3.9
122.99997	0.9
123.00896	19.4
123.04503	1.1
125.02472	0.9
131.03526	4.2
135.04553	4.4
135.98387	3.0
137.02431	2.4
138.03242	30.3
139.03604	0.8
139.07729	0.5
149.02521	0.6
150.03262	0.5
153.05592	14.0
163.04048	0.5
166.99876	9.9
170.08656	0.6
175.04033	0.8
181.81946	0.5
182.02231	38.3
183.02556	1.4
197.04565	100.0
198.04962	2.8
209.02791	0.5
216.92906	0.4
219.02985	0.7
239.05515	0.8
241.01302	1.4
241.05305	1.0
243.02711	0.5
311.07755	1.2
329.05148	0.7
329.08804	8.4
330.09357	0.5
359.09854	17.8
360.10245	1.0
381.32053	0.5
472.51846	0.5
491.13910	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	491.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98823	45.8
69.64568	39.4
69.64923	12.5
71.01399	67.0
75.00880	11.8
75.29900	10.7
83.01414	14.7
84.20009	11.0
85.02945	24.1
87.00874	14.7
88.98792	13.4
89.02477	64.6
95.01411	11.1
96.54120	11.5
97.03000	12.8
99.04547	11.7
101.02438	44.8
113.02448	32.0
117.21041	12.1
120.99660	58.2
122.99221	19.5
123.04488	16.8
124.14585	11.1
125.02465	41.0
131.03513	14.6
135.04518	22.7
137.02458	15.7
143.03508	11.4
149.02444	21.2
151.04012	13.7
153.09225	48.4
161.04558	18.2
196.54607	11.5
197.04547	15.7
197.08250	80.8
197.11795	13.9
269.09293	10.8
293.08795	29.9
359.13272	13.3
364.45224	11.8
390.50104	13.2
431.22824	15.2
441.15912	15.5
491.15222	37.7
491.21259	37.6
499.79834	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	491.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15754	0.6
51.59359	0.6
57.03446	1.1
59.01385	14.9
61.98830	0.7
65.74646	0.6
69.18875	3.6
69.39286	0.7
71.01385	3.9
72.99301	0.9
73.02955	4.6
75.00877	12.2
83.01402	1.5
87.00906	1.2
89.02454	17.8
91.30761	0.6
93.23550	0.6
94.99685	0.8
101.02459	4.3
103.04015	1.4
113.02457	1.6
131.03531	7.1
145.64192	0.8
149.04572	100.0
150.04933	2.1
168.92859	0.7
181.01295	0.7
195.57976	0.7
244.85548	0.6
255.68523	0.7
346.39279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05365	0.8
54.85040	0.9
57.03443	0.9
59.01389	31.2
59.07792	0.8
61.93127	0.8
61.98828	1.7
69.03464	1.9
71.01392	13.9
71.78006	0.8
73.02958	5.5
75.98888	0.8
83.01409	0.9
85.02979	4.8
87.00874	3.7
89.02453	9.8
93.03474	15.4
97.02959	3.4
98.21876	1.7
99.89778	0.8
101.02454	12.8
103.04028	10.6
111.49895	0.9
113.02453	2.5
119.03503	4.9
121.02975	57.7
123.04544	100.0
124.04849	3.4
125.02472	9.3
127.03979	1.4
133.02936	1.6
135.04518	2.2
145.05063	1.8
147.04530	2.6
148.04050	2.7
161.02423	0.9
161.04611	1.4
163.06169	10.6
179.03539	1.0
197.08228	3.2
247.08200	2.5
275.28757	0.9
307.10403	14.0
320.00812	1.1
341.05817	0.9
517.41876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03435	1.1
59.01383	18.8
61.37228	0.4
61.98849	0.4
71.01389	10.5
71.44594	0.4
72.99303	0.6
73.02956	2.2
75.00851	0.6
83.01395	2.0
85.02959	4.1
86.00103	0.8
87.00880	1.7
89.02452	4.6
93.03480	0.6
95.01398	1.0
97.02948	0.5
99.00870	0.7
101.02452	6.1
109.02942	1.7
113.02460	2.8
119.03492	1.2
120.30388	0.3
121.02978	6.2
122.03773	0.7
135.04532	1.1
139.28529	0.3
147.04541	1.3
159.04506	2.4
160.05240	0.5
212.04703	0.8
235.07718	0.6
240.04344	1.7
251.07140	0.5
253.08630	0.9
254.05798	1.2
255.06670	2.5
263.07187	1.5
264.08054	0.5
265.08875	0.4
267.06689	0.4
267.11493	0.5
268.07477	4.4
269.08200	7.0
270.08926	2.9
271.09668	0.6
281.08179	12.7
282.08826	2.6
283.09778	6.6
284.10184	0.6
285.03983	0.6
293.08777	0.9
296.10501	1.4
297.11279	1.1
299.09290	6.1
300.10013	2.1
302.07996	0.7
314.11618	10.1
315.12332	5.7
328.09634	0.7
329.10254	0.7
329.13989	12.3
343.11917	3.5
347.17236	0.5
357.13474	1.1
461.14392	2.7
476.16858	10.0
477.17206	0.5
491.19266	100.0
492.19617	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	491.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69493	0.3
59.01374	1.6
61.98835	0.6
70.30480	0.7
71.01381	0.6
100.50928	0.3
101.02425	0.6
104.02707	0.4
114.99747	0.3
118.04266	4.6
132.02167	1.2
134.03726	0.9
145.02985	0.5
148.01662	0.7
158.07349	0.9
161.02371	0.4
162.03223	6.0
167.19769	0.3
171.04460	0.5
173.02473	0.3
173.06133	0.4
174.06779	0.5
177.01941	1.4
184.05292	0.3
185.06073	4.2
186.06821	0.7
187.04086	0.3
189.01950	1.2
190.02721	24.3
191.03166	1.3
199.07631	5.3
201.01898	0.8
201.44464	0.3
202.06410	0.8
203.03595	0.9
213.05571	1.2
222.01698	4.3
223.01958	0.3
225.05598	0.6
227.07204	0.7
229.05054	6.9
229.07175	0.6
230.05835	14.6
231.06204	0.7
243.06628	5.5
244.07379	1.4
255.06644	0.5
257.08160	0.4
269.08176	1.4
283.93802	0.3
311.12799	2.3
313.11050	0.5
313.14481	4.9
314.14923	0.4
328.13120	1.6
329.13934	100.0
330.14246	5.7
374.78448	0.4
491.19257	59.9
492.19620	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72543	0.2
56.02580	0.2
59.01382	0.3
66.07030	0.2
69.09058	1.3
83.82398	0.2
86.51191	0.2
98.21952	0.5
105.03431	0.2
118.04255	2.7
118.96684	0.2
121.46835	0.2
132.02187	1.6
134.03755	0.6
145.02985	0.5
162.03250	3.3
185.06105	0.7
189.01958	1.0
190.02728	13.4
191.03120	0.5
196.26732	0.2
198.06883	0.4
199.07668	6.0
200.08148	0.4
202.06216	0.3
203.03496	0.7
222.01688	1.3
225.05612	0.7
226.06190	0.3
227.07166	0.9
229.05045	3.4
230.05812	2.5
243.06618	11.0
244.07339	2.3
245.08142	1.1
257.08240	1.1
285.15070	0.5
328.13083	0.3
329.13953	100.0
330.14301	6.8
432.54550	0.2
491.19241	2.4
492.19958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77659	0.3
54.24786	0.4
63.17148	0.4
67.71834	0.4
70.73150	0.8
83.09238	0.4
108.30827	0.4
110.97591	0.4
118.04276	2.5
132.02208	1.5
134.03793	0.6
137.02469	0.5
162.03244	3.1
185.06044	1.0
189.02003	0.9
190.02744	12.2
191.03081	0.9
199.07657	8.0
203.03545	1.7
213.09499	0.5
222.01721	1.3
225.05598	0.9
226.06497	0.4
227.07155	1.9
229.05046	4.7
230.05797	2.8
243.06625	15.8
244.07350	4.1
245.08154	0.8
257.08218	0.8
289.07166	1.1
328.13376	0.9
329.13962	100.0
330.14307	7.7
400.50491	0.4
455.14865	0.4
458.93695	0.4
491.19266	40.0
492.19769	4.1
507.48679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63284	0.9
70.34093	0.7
103.05544	3.6
118.04276	4.6
119.05049	4.2
132.02176	1.0
134.03725	1.1
145.02977	1.3
147.04521	12.2
159.04697	0.8
160.84251	4.2
162.03246	5.0
162.83920	8.7
163.03960	1.6
187.07573	0.9
189.01970	1.2
190.02724	15.9
191.03513	39.2
192.03732	1.1
197.06041	1.3
201.05605	1.5
203.03528	2.3
205.86621	0.8
215.07211	0.7
222.01695	3.3
229.04898	1.1
243.06612	1.6
260.07016	0.8
311.12827	1.2
329.13956	100.0
330.14288	6.8
412.00656	0.9
418.02658	4.0
419.03116	3.4
420.02490	2.6
491.19373	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1926
Annotation	Palmatoside G
Peak:m/z	Relative Intensity
59.01371	1.7
69.56326	1.8
69.56685	4.7
73.97269	0.9
103.05553	4.3
118.04258	7.7
119.05048	7.0
128.22659	1.3
128.42987	1.1
129.70653	1.0
133.64215	0.9
134.03738	2.2
145.02997	5.1
147.04530	18.1
162.03256	8.8
163.04021	3.1
172.21530	1.1
189.01903	7.8
190.00984	1.2
190.02722	31.8
191.03516	73.7
192.03819	2.5
197.06065	1.2
201.05608	3.9
215.07135	1.9
216.46968	1.0
222.01694	7.0
229.05154	1.2
231.06583	2.0
242.05737	1.4
249.68152	1.0
259.06125	2.3
268.76089	1.2
311.12854	2.4
328.13150	4.0
329.13934	100.0
330.14291	6.4
362.34985	1.1
491.19272	89.3
492.19507	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59903	0.8
55.01876	2.9
57.03444	2.1
59.01387	32.7
61.98830	3.3
69.03442	0.8
69.16002	3.8
69.16416	1.3
71.01389	23.2
72.99322	1.7
73.02952	8.9
75.00862	1.2
83.01383	4.9
85.02958	12.4
86.00121	2.1
87.00882	4.1
89.02461	7.6
93.03478	2.1
95.01398	2.4
95.05064	1.3
97.02962	1.0
99.00907	2.8
101.02463	19.8
111.00861	1.6
112.24613	0.8
113.02463	7.0
119.03506	2.6
121.02966	5.2
122.03803	0.8
123.04521	0.8
125.02468	1.3
128.03577	1.0
129.01921	0.9
132.02180	1.8
133.02959	9.6
134.03769	3.7
135.04559	1.7
147.04556	2.3
149.02460	44.2
149.06044	3.9
150.03273	9.1
153.09241	2.0
161.04565	1.8
163.03925	0.9
164.04799	7.6
165.05640	1.7
166.06232	0.8
167.07181	2.3
179.03552	1.6
181.08647	0.8
191.05603	1.7
193.05193	0.9
195.06569	1.1
197.08179	1.8
235.06081	1.2
270.08820	0.9
283.09854	1.6
293.08896	1.9
314.11673	9.2
315.12527	2.4
317.08868	1.5
329.13962	26.0
330.14200	2.0
337.15021	0.8
357.15524	2.3
409.20892	1.5
476.16727	2.3
491.19296	100.0
492.19705	9.8
492.26346	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	491.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.4
61.98839	7.5
68.12390	6.9
98.21947	15.3
182.60313	7.7
231.88922	6.6
293.08807	15.4
293.21292	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	491.2666
Annotation	Mucronine B
Peak:m/z	Relative Intensity
60.23596	2.7
66.03484	3.1
71.02508	4.0
74.60536	2.3
75.97128	2.9
98.55841	3.0
115.08782	12.2
118.06637	4.2
118.60372	2.5
125.07174	2.8
141.06648	3.1
146.06107	7.9
165.65987	2.3
176.02612	2.9
179.11972	2.6
182.34103	2.4
214.15643	5.6
221.40312	2.5
228.10388	4.0
304.71982	2.9
326.18735	6.5
491.26715	100.0
491.37491	6.1
492.27029	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	491.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97414	99.6
55.75790	87.8
60.13380	81.3
61.98811	92.5
70.21618	88.7
70.98342	87.2
88.30432	82.3
113.44785	100.0
212.96359	95.5
220.58279	91.1
273.85214	87.4
335.39984	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01286	14.0
69.10011	100.0
72.30028	13.1
86.10156	13.2
98.21803	26.3
158.57402	15.0
165.18805	13.9
239.05086	15.8
260.69205	14.3
491.36594	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	491.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	28.8
61.98857	2.4
68.50405	0.9
69.07126	7.5
71.01385	16.2
71.10151	0.9
72.45493	0.9
73.02954	3.1
78.18768	1.2
83.01394	3.0
85.02962	6.4
87.00887	5.0
89.02457	4.4
95.01390	1.6
98.22636	2.0
101.02470	6.3
108.36047	1.1
112.01643	1.2
113.02467	4.0
119.03538	1.2
127.11260	1.7
145.02971	2.5
184.90575	1.1
204.53505	1.1
218.37686	1.2
219.72282	1.1
241.21855	1.3
269.21219	3.6
287.22314	35.8
287.33527	1.2
288.22763	2.2
293.08804	2.8
307.07986	1.4
317.08783	3.4
329.23346	3.1
362.00989	1.1
377.21097	3.2
431.26581	14.1
432.26840	1.8
449.27606	33.4
450.27789	2.4
491.17172	3.0
491.28696	100.0
492.29028	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	491.2867
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01872	1.1
57.03447	1.6
58.00588	0.9
59.01385	12.6
61.98835	1.5
69.15496	0.8
69.15907	1.2
71.01387	8.6
71.05011	0.4
72.99315	1.1
73.02946	3.5
75.00890	0.5
83.01390	2.0
83.05032	0.3
85.02959	4.1
87.00872	1.3
89.02451	3.5
95.01390	0.4
97.06586	1.0
97.62921	0.3
99.00880	0.9
101.02460	6.8
111.00921	0.5
113.02448	3.2
119.03532	0.8
123.08180	1.1
125.02468	0.5
125.09734	3.3
127.11295	4.1
133.02942	0.3
135.04465	0.4
137.09775	0.8
139.11290	0.8
141.12874	0.3
149.00902	0.6
149.04585	0.4
153.09219	0.7
155.10817	1.9
161.02484	0.4
161.04601	0.9
165.09222	1.5
171.10292	5.4
177.01904	0.4
190.05159	0.4
196.06090	0.4
197.06374	0.4
197.08157	0.4
199.09776	1.2
201.11336	25.5
202.11626	0.6
275.20343	0.5
277.21783	0.7
277.24686	0.3
292.06180	0.3
293.08896	0.6
293.21164	1.6
311.22314	3.5
317.09082	0.7
329.23325	6.9
359.20416	0.6
359.24438	5.7
360.24869	0.5
448.22659	0.4
455.26532	0.4
473.27527	3.4
491.28677	100.0
492.29013	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	491.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.41264	0.2
57.03445	0.2
59.01381	5.4
71.01015	0.4
71.01383	3.7
73.02948	1.1
78.95919	3.3
79.63388	0.2
83.01397	0.7
85.02955	1.0
87.00867	0.6
89.02445	3.0
95.01374	0.3
100.83321	0.2
101.02460	3.8
113.02450	1.5
119.03475	1.2
125.02477	0.4
127.44351	0.3
133.05061	0.5
143.03546	0.3
152.99591	4.6
157.05098	0.2
161.04559	1.6
171.00620	0.2
179.05629	0.7
185.27991	0.2
235.08261	1.0
239.87872	0.2
253.09297	12.3
254.09593	0.4
255.23303	100.0
256.23669	4.9
279.23083	0.3
332.81293	0.2
433.23407	0.9
436.82513	0.2
491.19855	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	492.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01386	30.9
60.01737	0.8
61.98835	2.8
69.92665	0.5
71.01417	2.9
72.99300	0.6
73.02964	1.0
80.64138	0.5
82.00634	1.0
82.95355	0.7
83.01396	0.6
89.02460	2.1
92.02104	1.1
92.02688	21.1
93.03475	4.8
95.01398	6.8
101.02448	2.5
104.64751	0.6
105.01946	0.6
108.02187	7.2
108.04588	0.9
113.02450	1.0
119.03563	1.3
119.05038	5.3
121.02967	1.0
123.00874	0.8
130.08751	0.5
132.04565	5.2
133.02982	1.3
135.04539	1.8
136.01682	49.9
137.02525	4.1
149.02499	1.1
150.05638	4.5
153.09203	0.8
155.10809	2.4
160.04036	1.4
161.02470	1.1
161.04593	0.8
162.93954	0.6
166.78236	0.6
173.04677	0.9
173.06107	1.2
179.03554	2.5
180.05919	0.7
181.06609	4.3
191.04105	0.6
191.05673	2.2
199.07675	7.0
199.09779	2.2
200.07103	1.2
226.08757	15.0
227.09050	0.8
270.07751	100.0
271.08084	5.8
343.87628	0.6
414.82986	0.7
491.31152	0.6
492.24902	1.1
492.31635	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	492.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
57.72367	1.8
58.08092	1.8
59.01381	30.1
61.98834	31.9
69.03450	2.0
69.89344	6.9
71.01376	13.2
73.02945	5.9
82.88490	1.9
82.91362	2.1
83.01375	3.6
85.02954	5.5
87.00870	4.4
87.04517	5.5
89.02452	10.7
97.02946	3.2
99.00867	4.1
101.02435	11.4
109.02983	3.1
112.98853	2.3
113.02468	2.1
119.03465	2.7
121.02967	100.0
125.02467	2.2
125.06087	2.3
135.04514	2.3
137.09721	2.4
148.04063	29.9
149.04538	5.8
155.10793	18.8
161.04547	2.4
179.05615	2.3
179.10791	2.6
181.08698	3.2
199.09773	18.1
214.72021	2.5
241.10811	7.1
283.12012	9.8
313.23297	2.3
314.24442	2.7
343.13916	4.3
359.28104	50.9
360.28409	75.9
360.32846	4.7
447.22504	5.7
492.18774	46.5
492.28732	6.5
493.19073	3.7
493.30774	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	492.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93311	0.4
57.05542	0.3
59.01377	0.9
61.98836	100.0
69.39615	1.4
71.01385	0.5
82.95431	0.3
95.05057	0.3
96.06125	0.3
98.21872	0.5
101.02451	0.5
133.02950	0.3
135.04578	0.6
137.02354	0.3
148.92291	0.3
177.02008	1.1
190.02769	0.7
190.05220	0.5
225.54657	0.3
248.05052	0.3
329.14087	0.5
330.14420	2.1
399.09732	0.3
492.19800	1.7
492.31952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24014	1.1
57.03174	2.1
57.03453	38.7
58.00602	1.2
59.01385	82.8
61.98837	6.1
62.30836	0.9
62.60554	1.0
67.27506	0.8
69.40560	1.9
69.40956	2.7
71.01389	32.3
72.99301	4.5
73.02952	14.6
75.00874	2.0
80.63303	1.0
81.03471	1.4
83.01398	5.8
84.88505	1.1
85.02963	8.2
87.00883	20.2
87.04477	1.0
89.01942	2.0
89.02456	30.8
93.03474	5.9
95.01383	2.8
95.05021	4.1
97.06609	1.4
99.00905	2.4
99.04527	36.4
101.02451	34.1
103.00369	4.4
105.01948	5.1
105.03474	8.0
107.05065	1.5
108.02118	1.5
109.02956	3.4
112.98817	14.9
113.02464	17.3
116.26311	1.2
119.03529	15.3
120.01290	1.2
121.02969	4.5
122.03723	3.8
123.04548	7.2
125.02454	13.5
130.99875	1.8
131.03502	3.2
133.02969	100.0
134.03781	26.4
135.04544	50.7
136.01645	3.3
137.02463	16.3
139.03998	1.4
143.03543	4.9
148.01663	2.2
149.00912	21.8
149.02419	9.1
149.04552	3.8
149.06053	2.0
150.02382	1.0
150.03267	12.8
151.04031	5.2
153.05557	3.0
153.09212	1.6
155.10759	1.3
159.04530	1.0
161.02432	1.6
161.04562	10.5
163.04008	1.8
164.04851	1.2
165.05576	10.3
166.02715	7.0
167.07144	4.0
177.01949	25.6
178.02730	36.8
179.03491	43.2
179.05589	11.7
180.04077	2.4
181.05089	14.9
183.14015	1.1
191.03514	1.3
193.05070	21.7
194.05400	1.5
195.06648	10.0
201.11325	4.3
211.06148	2.8
221.06590	1.4
225.05490	1.0
267.06647	1.9
270.97299	1.1
271.05881	2.4
271.19205	3.4
281.06696	9.8
286.08450	2.1
310.03238	4.5
311.05569	4.0
331.08246	2.4
331.17667	1.6
343.08270	1.7
343.11838	8.3
349.18597	3.4
361.09308	86.6
361.18567	4.4
361.22385	2.9
362.09763	5.0
367.11746	1.9
385.13852	1.1
391.14069	3.0
391.19360	1.2
433.11545	1.4
433.24551	8.1
463.12585	4.1
475.12274	5.3
493.13214	3.7
493.22516	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	493.1145
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
52.83982	1.4
54.93620	1.6
61.98837	2.2
63.02396	1.9
65.00311	2.1
69.95058	3.6
69.95419	3.5
98.22565	3.0
107.01396	3.0
117.28300	1.9
124.46523	1.9
133.02991	12.8
149.02446	3.0
151.00368	8.2
168.91595	1.5
175.03983	2.9
199.04083	2.2
222.15369	1.9
255.03014	40.1
256.03802	24.2
283.02524	58.9
284.03290	71.4
285.04071	100.0
286.04565	4.1
404.21286	1.9
446.98325	2.1
493.11200	9.5
495.38727	1.7
519.00159	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59203	0.7
55.74551	0.8
57.03444	0.8
59.01384	12.6
61.98834	6.7
71.01386	6.6
71.40961	0.6
73.02955	1.7
73.98330	1.9
74.99100	100.0
81.85103	0.6
83.01427	1.0
85.02962	2.2
87.00874	0.7
89.02442	3.4
99.00894	1.0
101.02457	3.1
108.02214	1.7
109.02973	2.2
113.02430	3.6
119.03517	2.2
119.04936	0.8
120.99667	36.0
121.02937	1.2
123.04538	1.9
125.02469	1.0
133.02959	0.9
134.03758	2.7
135.04538	2.0
136.99159	69.0
143.03563	1.0
149.02472	2.7
150.03238	2.9
151.00383	0.8
152.01222	0.9
153.01945	0.8
155.10815	2.3
161.02423	2.1
161.04614	1.8
164.04794	1.2
165.05559	2.6
167.03510	1.4
173.90370	0.8
175.04089	1.1
175.07515	0.7
176.04718	0.7
177.01901	1.5
178.02693	1.1
179.03387	0.8
179.05711	1.2
179.07156	1.1
183.10301	1.0
191.03471	1.2
192.29732	0.7
193.03372	1.1
193.05109	2.0
195.06691	1.2
199.09811	2.5
205.05040	1.3
211.04378	2.4
223.06155	4.5
433.24634	1.8
493.15411	6.7
493.23383	1.5
503.82892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92377	1.9
56.07992	2.0
58.89870	2.2
59.01385	100.0
61.98819	2.1
66.28806	1.9
67.28438	2.0
69.03476	4.3
71.01392	37.9
71.42355	2.3
73.02948	13.2
81.03468	4.4
83.01385	3.1
85.02981	12.2
87.00890	8.1
89.02454	21.8
97.02967	10.4
99.00904	3.1
101.02445	28.4
103.04025	17.1
113.02457	4.8
119.03496	11.4
121.02914	2.8
125.02470	30.4
135.04549	5.1
137.09747	2.7
145.05103	3.4
155.10797	9.8
161.04591	2.8
163.06151	20.7
176.28374	2.0
179.03452	2.2
199.09804	12.2
247.08046	5.0
275.07742	2.4
284.38370	2.5
293.08783	6.8
301.12863	2.4
307.10413	16.5
317.08868	4.4
361.09515	3.2
361.14917	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.8
59.01386	7.0
61.98834	2.6
69.16325	1.5
69.16746	2.4
71.01372	3.4
72.99332	1.0
73.02956	3.7
85.02938	1.7
87.00874	6.4
87.04501	3.0
89.02457	2.3
96.96032	0.9
97.03005	0.8
99.04536	0.7
101.02452	5.3
103.00392	0.6
105.03474	0.8
112.98830	2.5
113.02473	1.7
115.04118	0.7
119.03514	0.7
125.02462	0.8
130.99797	1.1
133.02956	5.6
134.03749	2.2
135.04559	6.0
135.08154	0.9
137.09732	10.6
139.11290	0.8
143.03548	0.9
149.00931	3.0
149.04584	0.8
155.10794	93.4
156.11127	3.1
161.02444	1.2
161.04620	1.5
169.12364	1.8
177.01903	1.3
178.02710	1.4
179.03523	2.7
181.08705	2.2
199.09773	100.0
200.10115	3.4
212.40764	0.6
213.11305	1.9
241.10825	8.9
271.11862	2.3
301.12933	9.1
361.09366	6.3
361.15024	20.1
361.22351	1.7
362.09644	0.8
362.15582	0.8
468.24167	0.7
493.15286	4.3
498.65668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
58.29098	0.6
59.01387	18.9
59.60228	0.6
61.98822	2.6
63.39270	0.6
69.03458	4.4
71.01390	10.2
72.99349	0.6
73.02951	5.5
76.04090	0.6
83.01389	1.3
85.02957	3.0
85.82722	0.6
87.00929	1.0
87.04511	0.7
89.02457	7.7
95.01376	0.8
101.02464	6.4
101.77036	0.8
113.02466	21.5
113.03260	1.2
115.88688	0.6
118.98122	2.2
119.03484	3.6
119.05122	0.7
123.04576	1.1
131.03537	1.0
133.02960	0.9
134.03729	0.8
135.04562	1.5
135.08185	1.7
137.09752	7.4
143.03528	0.8
149.04567	0.7
150.03279	0.8
151.03992	0.8
153.09210	0.8
155.10797	100.0
156.11121	3.3
161.02493	0.8
161.04535	3.1
165.05600	0.9
165.17662	0.7
179.05641	1.6
199.09775	84.1
200.10089	2.8
217.10826	1.5
249.09770	3.6
281.06485	0.6
293.08820	14.9
317.09189	0.7
358.44824	0.7
361.09354	1.0
433.24344	2.6
451.25464	1.2
451.33197	0.8
493.18954	11.4
494.19870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
61.98836	0.5
65.57147	0.2
71.01394	0.8
81.03436	0.3
89.02438	0.4
90.98581	0.3
104.02676	0.3
105.03465	0.4
106.95671	0.2
109.02896	0.3
118.04275	3.3
132.02176	2.4
134.03763	0.9
145.02972	0.3
158.03674	0.4
161.02457	0.4
162.03232	4.4
163.03940	0.2
177.01942	0.5
185.06082	1.6
186.06764	0.3
189.02002	0.3
190.02744	16.6
191.03175	0.6
199.07619	1.6
201.01878	0.4
202.06383	0.3
203.03589	0.4
213.05644	0.4
222.01683	3.0
227.07220	0.4
229.05075	3.8
230.05858	3.9
231.06610	0.4
243.06622	2.8
244.07350	0.3
260.28970	0.2
269.04266	0.2
287.16620	1.3
299.12924	0.3
311.02002	0.4
313.14447	2.8
330.14520	0.3
331.15521	100.0
332.15860	6.1
339.01395	0.4
452.07864	0.2
493.20831	27.7
493.29617	1.1
494.21234	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	493.2083
Annotation	Amritoside D
Peak:m/z	Relative Intensity
59.01379	0.5
81.03419	0.3
99.71816	0.3
105.03486	0.5
118.04253	2.6
126.05517	0.2
132.02179	2.3
134.03716	0.7
137.02460	0.3
139.04080	0.7
145.02931	0.3
150.95557	0.3
156.72298	0.3
162.03239	4.5
185.06102	1.2
190.02721	16.3
191.03133	0.5
199.07663	1.2
202.06404	0.3
213.05644	0.4
222.01675	2.0
229.05063	3.4
230.05841	4.0
231.06284	0.4
243.06613	6.1
244.07118	0.4
252.92683	0.3
257.08368	0.4
268.81943	0.3
269.04596	1.3
287.16428	0.8
313.14417	0.4
329.14056	0.3
330.14661	1.4
331.15515	100.0
332.15845	6.4
370.03848	0.4
429.70932	0.3
493.20828	37.7
493.29675	1.4
494.21255	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	493.2293
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
55.01879	3.7
57.03460	10.8
57.16543	1.5
57.69128	1.6
59.01385	100.0
61.98835	18.9
69.03457	1.6
69.34383	7.9
71.01388	87.1
72.99306	3.6
73.02956	26.9
83.01394	14.1
85.02964	37.9
87.00883	7.7
89.02453	58.0
95.01395	8.1
97.02981	3.6
97.06600	1.4
99.00889	8.5
99.04539	10.2
101.02453	76.4
103.32184	1.8
113.02455	46.2
114.02812	1.9
116.92927	2.8
119.03518	22.1
124.26348	1.7
125.02477	9.7
129.02013	1.7
131.03508	6.9
133.02921	3.7
135.04526	3.9
137.02408	1.9
143.03525	9.5
148.04053	1.6
151.00392	3.0
155.10825	4.4
159.03027	4.8
161.02472	4.2
161.04576	29.7
169.43396	1.8
177.01920	2.6
179.03502	3.0
179.05626	25.0
191.05704	3.0
193.05074	2.4
199.09814	4.3
221.06659	7.9
267.65527	1.6
271.02414	1.6
273.03983	2.0
299.02002	3.8
317.03137	4.9
331.13882	3.8
331.17584	25.7
332.17938	1.9
361.18359	2.6
361.22415	3.7
433.24615	3.4
442.28061	2.2
493.23013	84.3
494.23492	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	493.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00051	1.1
55.01880	1.2
57.03454	74.5
58.00569	1.3
59.01385	100.0
61.98837	5.7
62.53936	1.4
69.03450	1.9
69.43111	5.7
71.01389	35.2
72.83472	1.0
72.99300	1.9
73.02955	22.3
75.00879	1.5
78.26222	1.0
79.05520	1.9
81.03449	2.2
83.01395	6.7
85.02943	9.3
87.00879	9.1
87.04515	2.1
89.02452	34.2
89.03020	1.7
89.10843	1.2
93.03461	5.0
95.01384	3.1
95.05031	2.1
95.21938	1.2
97.03008	1.5
99.04527	64.6
101.01801	2.6
101.02454	48.1
103.00362	2.8
105.01968	3.0
105.03474	6.3
108.02168	2.0
109.02969	1.9
112.98839	7.7
113.02467	21.0
119.03519	15.4
120.67970	1.2
120.93688	1.1
121.02959	3.0
122.03719	3.3
123.04514	8.5
125.02455	22.7
126.02901	1.3
131.03510	3.6
133.02966	48.3
134.03770	15.2
135.04543	28.6
136.01698	2.3
137.02446	10.7
139.03955	1.5
141.05569	3.1
143.03481	8.1
145.79831	1.2
147.04565	1.5
148.01672	1.4
149.00958	11.5
149.02425	7.8
149.04518	5.1
150.03226	11.6
151.04033	5.8
153.05537	2.4
153.09238	1.5
161.04584	13.7
163.03984	2.2
165.05577	12.7
166.02673	4.6
167.05765	1.3
167.07108	3.0
177.01962	11.8
178.02719	20.8
179.03487	23.9
179.05605	14.6
180.04085	1.5
181.05077	7.6
193.05057	12.9
195.06725	9.9
197.08231	1.8
199.09770	1.5
201.11360	3.7
211.06161	1.7
221.06604	1.3
224.64108	1.3
271.06110	2.2
281.06659	5.8
286.08716	1.4
310.03250	1.8
311.05664	2.5
331.08267	1.9
331.17691	2.6
343.08298	1.2
343.11987	8.1
349.18646	5.3
361.09308	49.2
361.18451	2.7
361.22314	5.0
362.09543	3.9
367.12027	1.4
391.14023	3.4
391.19711	4.3
393.42078	1.3
431.23053	1.5
433.11359	1.9
433.24338	6.9
463.12381	3.8
468.63889	1.3
475.12210	3.1
493.12976	2.1
493.22656	15.8
494.23492	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12061	1.6
54.62492	1.5
55.01897	2.9
55.60665	1.7
57.03448	5.8
59.01384	66.5
61.98840	12.4
66.80289	1.6
66.92517	1.8
70.54494	1.7
71.01391	41.2
71.06934	3.5
72.01765	1.7
72.99320	3.0
73.02957	14.7
74.99091	2.8
75.00881	4.4
83.01398	8.1
85.02967	14.7
87.00893	5.5
89.02464	24.5
97.02983	2.5
99.00884	5.2
99.04530	2.0
101.02455	36.4
103.04009	4.5
112.98804	4.8
113.02484	15.7
119.03529	3.2
120.99643	5.6
124.01624	1.7
125.02489	5.7
131.03534	11.3
132.04614	3.4
133.02950	3.9
134.03729	2.4
135.04623	4.2
137.09727	3.3
143.03523	1.8
148.04131	2.7
149.04524	5.1
153.09180	2.8
155.10797	13.7
156.95439	1.6
159.03053	2.1
161.02480	2.3
161.04565	8.8
164.41412	2.0
168.00694	2.1
177.01999	2.7
179.03464	2.9
185.95200	1.6
191.05647	3.8
199.09764	9.5
218.00926	2.0
227.03476	4.2
255.03091	3.6
283.02490	2.7
284.03281	4.2
285.04150	7.1
301.16577	19.0
313.23618	1.9
331.11984	2.0
331.24991	7.1
361.10687	2.2
433.20773	100.0
434.21100	6.0
473.11008	2.8
493.24188	5.9
493.30817	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	493.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03445	2.9
58.00589	2.0
59.01384	100.0
61.98853	5.6
69.19917	7.1
71.01389	56.0
71.01795	2.1
72.99294	2.9
73.02959	4.4
74.02483	1.6
75.00887	1.5
83.01395	2.9
85.02954	14.4
87.00876	5.0
89.02453	58.8
93.03480	3.3
95.01404	3.4
96.96004	2.1
98.21954	2.1
99.00902	1.4
101.02455	36.2
105.03485	1.9
109.02994	1.3
111.00894	2.1
112.98862	1.3
113.02463	19.2
119.03516	28.0
121.02975	3.7
123.04539	3.4
125.02473	2.6
131.03525	2.5
133.02974	14.3
134.03812	6.7
135.04526	5.6
137.02463	5.3
143.03522	5.0
145.48982	1.1
148.04056	4.5
149.00934	3.1
149.02446	4.9
149.04527	4.4
149.06010	2.1
150.03244	7.1
151.04053	2.0
156.89630	1.1
161.04570	5.9
164.04849	1.8
165.05605	6.4
177.01958	2.8
178.02696	4.2
179.03505	7.0
179.05664	10.9
186.26062	1.1
191.05615	1.8
195.06587	3.7
201.11328	4.3
281.06726	3.8
293.08740	1.4
314.12119	1.2
331.14447	2.1
343.11826	3.3
361.09247	10.0
361.22256	3.4
431.13797	2.1
433.24823	1.4
493.22552	29.8
494.23251	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	493.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08722	2.7
53.10495	2.7
55.01880	3.2
57.03445	5.5
57.95102	2.5
59.01384	55.2
61.98832	11.6
66.44971	2.7
67.19139	2.3
69.42248	13.1
71.01391	46.5
71.25824	2.4
73.02955	26.2
83.01400	6.7
85.02953	18.6
87.00880	3.9
89.02469	12.5
95.01401	3.9
98.21870	5.4
99.00884	6.9
101.02458	41.1
101.29312	2.8
113.02441	21.6
120.99641	4.8
121.02971	3.8
135.04556	5.4
135.72162	2.6
155.10847	6.3
161.04585	14.1
171.06116	2.9
177.02031	3.8
191.05640	3.4
199.09947	3.3
247.79634	2.7
255.03062	4.2
285.04086	7.7
301.16574	25.1
331.24927	7.6
433.20673	100.0
433.26010	5.2
434.21451	7.0
492.31775	3.2
493.31155	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76833	1.3
51.67823	1.4
57.03458	1.4
59.01389	12.1
60.03111	1.3
60.59453	1.2
61.55810	1.6
61.98831	1.3
69.99290	1.2
71.01393	10.0
73.02946	2.7
73.73050	1.4
83.01374	2.5
85.02962	5.0
89.02448	4.3
96.96037	1.6
99.00893	1.7
101.02444	6.9
113.02495	3.1
127.11283	2.4
143.53951	1.4
146.14465	1.2
214.69865	1.1
244.33104	1.3
313.23810	4.3
316.80743	1.2
331.24792	7.5
493.30212	100.0
494.30392	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	494.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.6
60.00199	0.5
61.98837	100.0
66.51042	0.4
69.14585	1.1
69.15011	1.9
69.57182	0.4
74.26907	0.4
76.63203	0.4
144.60840	0.5
237.92238	0.4
268.03787	11.4
269.04526	3.8
431.09857	12.3
432.10233	1.1
444.84808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57388	0.3
59.01373	0.8
61.98834	100.0
63.99835	0.4
65.48485	0.3
69.23801	0.8
69.24211	1.2
83.01559	0.3
85.02973	0.4
101.02447	0.4
107.05136	0.3
121.02990	0.4
148.04085	0.8
227.03528	5.0
229.05069	0.8
255.03023	7.4
256.03711	1.2
257.04620	0.6
284.03293	9.6
284.06348	0.6
285.04059	10.6
286.04486	0.5
360.36258	0.3
431.09860	16.2
432.10275	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	494.144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	19.8
61.86382	11.9
61.98837	41.4
69.73471	41.8
70.73287	10.6
91.04858	10.4
101.02419	17.9
104.13970	12.8
112.47546	10.8
132.04568	29.9
148.04276	12.2
151.23743	15.9
278.83472	10.9
282.24084	14.6
388.44250	12.2
479.61853	13.8
494.14297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93662	0.9
57.03444	1.7
58.00595	1.5
59.01385	15.9
60.94407	1.2
61.98837	100.0
63.01899	1.2
71.01394	8.3
73.02944	7.1
80.91692	1.5
82.95406	2.5
83.01382	1.2
85.02940	3.8
87.04534	9.3
89.02448	1.9
97.02961	3.0
99.00858	1.2
101.02454	9.5
113.02426	3.1
113.97173	1.1
125.02381	1.2
132.04568	60.1
133.04895	2.0
135.04547	2.3
135.08174	2.0
137.09747	11.5
139.11307	1.6
141.00342	1.3
145.02974	3.9
150.05597	8.7
150.78737	1.1
153.09186	1.7
155.10796	73.8
156.11119	3.0
161.04570	2.7
163.04019	1.2
163.07584	1.2
163.11209	1.5
167.10767	1.7
169.12350	4.0
179.10803	2.2
181.08723	3.7
191.05669	1.2
195.10251	2.5
199.09775	90.8
200.10095	3.1
205.05107	1.9
213.11339	2.6
218.54424	1.3
232.64879	1.2
241.08517	2.0
241.10841	21.1
253.10823	3.3
265.07135	2.2
271.12018	2.4
283.11874	11.6
301.12997	8.1
343.14023	2.9
344.32993	1.1
361.15048	2.6
363.23706	2.3
408.04819	1.7
431.22998	7.2
447.22266	4.9
448.22540	3.0
458.17355	1.2
494.20499	4.2
494.30215	2.2
495.27762	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	494.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03435	0.3
58.98823	0.3
59.01081	0.4
59.01383	7.9
61.98841	1.8
65.20981	0.2
69.15025	1.7
71.01385	4.1
72.99326	0.3
73.02954	3.2
83.01405	0.2
85.02961	1.3
88.50249	0.3
89.02449	4.3
98.21893	0.6
101.02436	2.9
104.54086	0.2
106.62476	0.2
110.89761	0.3
113.02460	1.8
119.03542	1.3
131.03775	3.8
132.04567	11.7
133.04945	0.4
135.08188	1.4
137.09738	7.3
150.05649	0.5
155.10791	100.0
156.11125	3.7
181.08720	0.7
199.09772	43.9
200.08461	0.3
200.10110	1.6
314.14032	4.7
362.22708	0.4
456.33453	0.3
494.20291	5.3
494.26715	0.4
494.30679	1.1
495.20544	0.7
495.27863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34652	0.8
57.03457	1.4
58.24944	0.9
59.01392	9.9
61.98822	3.9
69.88372	2.7
71.01370	4.3
73.02956	2.2
78.28077	0.9
85.02969	0.9
89.02433	3.4
101.02461	2.1
113.02461	2.7
119.03486	2.0
132.04562	15.1
135.08177	2.8
137.09740	9.0
145.58614	1.0
150.05667	1.7
155.10796	100.0
156.11098	3.7
160.04100	0.9
164.03523	1.5
168.11041	0.9
181.08734	8.8
199.09778	49.2
200.10130	1.9
388.85410	1.0
494.20490	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	494.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67997	1.5
61.98837	100.0
74.30736	1.8
115.42024	1.9
127.87154	1.7
145.03000	6.3
146.81760	1.8
239.90419	1.8
296.86688	1.7
431.24442	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	494.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97777	0.4
57.83154	0.4
59.01369	1.2
61.98835	2.8
81.03452	2.4
82.95596	0.5
83.05027	7.8
84.05385	0.5
91.32944	0.5
101.02432	0.5
112.39146	0.5
125.07199	1.1
125.44633	0.5
137.09747	0.6
155.10759	3.0
160.04080	0.7
199.09769	1.5
207.14990	1.6
224.17688	1.7
225.16081	6.8
228.56303	0.5
231.21490	0.4
242.18939	0.5
242.32707	0.4
324.26581	0.7
333.22800	2.4
351.24112	0.6
367.27234	1.0
433.31754	4.2
451.32916	100.0
452.33264	9.2
494.33670	2.6
494.70914	0.5
495.20987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31092	1.5
57.03452	1.7
59.01380	8.2
61.98835	81.9
65.00321	1.7
69.03460	1.4
69.44528	6.2
69.68316	1.5
71.01399	4.2
73.02979	2.3
81.03465	2.1
85.02990	3.9
87.00860	1.6
93.03468	2.4
93.56004	1.3
95.01394	1.6
95.05038	1.5
97.02949	1.9
101.02457	3.5
107.01399	3.6
108.02182	53.0
109.02967	46.9
111.04499	2.9
113.02437	1.6
119.05043	5.7
121.02977	3.9
122.03698	2.3
123.00906	6.5
123.04533	22.7
124.01679	3.3
125.02449	1.7
133.03009	4.1
134.03783	8.3
135.04544	16.3
136.01730	1.8
137.02454	4.0
138.03232	6.1
139.04022	24.2
145.02930	2.0
147.04552	3.3
148.01703	1.3
149.02455	3.4
149.06119	2.7
150.03233	1.5
151.00369	7.4
151.03978	9.6
152.01166	71.8
153.01959	18.0
153.05605	3.9
153.09224	4.6
161.02455	3.5
161.06078	2.4
162.03198	1.9
163.04077	3.8
167.03508	50.7
175.04079	2.1
176.01154	2.4
177.01933	25.4
178.02649	4.0
179.03500	13.5
187.04013	2.4
188.04790	2.8
189.01956	32.4
190.02721	12.0
191.03514	9.6
191.07112	2.7
193.05084	14.1
203.03438	3.2
205.05194	4.1
216.00714	5.8
217.01404	26.8
218.02100	2.7
219.03030	10.1
219.06836	1.5
227.07007	1.7
229.04866	1.8
229.08708	2.5
231.03043	7.5
245.08237	2.0
271.06079	22.0
276.13702	3.6
281.04660	6.1
289.07199	6.4
289.14453	3.1
291.16037	3.5
297.07666	4.4
315.07568	1.6
319.15552	3.1
341.06680	100.0
342.07022	5.9
355.08316	5.9
357.91348	1.6
371.07791	5.7
410.44940	1.9
433.11340	4.3
451.16003	16.3
495.14633	61.9
496.14362	4.7
517.26910	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	495.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92380	0.5
59.01379	2.7
61.98827	0.5
70.50877	0.7
72.99317	3.2
75.00887	5.7
105.01945	100.0
106.02274	1.5
109.99249	0.5
153.24719	0.4
166.28459	0.5
177.25905	0.4
211.33163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13822	0.6
59.01381	3.1
61.98824	0.6
69.08184	4.7
72.86137	0.6
72.99309	4.6
75.00887	7.1
105.01947	100.0
106.02269	1.5
184.33759	0.7
194.84030	0.6
216.62427	0.6
303.13971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
58.00584	0.4
59.01385	29.6
61.98833	3.5
69.12947	1.0
69.13351	2.0
71.01391	13.5
72.99306	0.7
73.02939	1.5
80.05066	1.5
83.01399	1.0
85.02959	4.5
87.00894	1.1
89.02448	9.4
95.01400	1.1
96.68820	0.4
97.60777	0.4
98.21962	1.0
101.02459	8.8
104.05134	0.6
108.04570	9.3
113.02457	5.2
114.90151	0.5
119.03510	4.0
121.05345	0.8
122.06129	1.2
125.02483	0.7
132.04562	0.8
135.04503	0.6
136.07692	16.1
138.05620	1.5
143.03522	0.7
147.03273	1.8
148.04021	0.7
149.05997	0.5
150.05728	0.8
159.06908	0.7
161.04552	1.0
162.05635	4.6
175.02725	0.5
179.05730	0.5
185.69701	0.4
187.01587	0.5
188.07141	0.5
190.05144	0.7
198.08017	0.6
200.10854	0.9
202.12393	0.9
210.65733	0.5
212.09596	0.9
213.06749	2.1
217.07468	0.6
225.10297	0.5
227.08342	0.9
227.12025	1.0
228.08936	0.6
229.09871	1.5
234.20654	0.4
238.07553	1.4
241.06200	1.5
242.07031	2.0
243.11455	1.3
246.11412	0.5
253.09798	3.8
254.10429	1.0
255.07861	0.6
255.11430	1.3
256.08502	1.7
270.10132	1.5
271.10895	100.0
272.11185	4.6
282.24228	0.5
289.11987	0.9
333.26544	2.1
408.16525	0.8
433.16367	0.9
451.17380	1.0
495.16339	5.1
495.23547	0.7
495.25293	0.6
495.32104	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	495.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69902	9.6
59.01368	50.4
61.86103	10.4
61.98841	100.0
69.42760	38.2
69.43160	23.3
71.01380	31.5
89.02465	25.7
100.04398	10.5
101.02462	17.6
109.02972	17.1
113.02448	13.6
119.03485	12.0
135.04491	14.9
163.34656	9.8
179.03450	22.0
183.10263	26.0
189.17641	12.0
191.05664	59.8
203.80284	12.7
281.06708	13.2
495.16345	71.9
495.31717	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17361	6.4
56.67682	8.3
59.01373	29.2
59.58665	6.1
61.87181	7.8
61.98835	100.0
64.59103	6.0
67.21534	5.9
69.28208	13.6
69.28616	29.1
71.01385	18.7
78.43067	6.1
85.02977	7.5
101.02448	16.5
106.56857	6.7
109.02952	21.6
121.02962	14.2
123.04543	18.3
125.02444	13.9
135.04539	20.7
153.01973	10.8
161.02464	17.3
165.01872	7.9
167.03462	9.7
177.01952	8.5
178.02730	8.3
183.10301	21.0
190.02832	8.5
191.03505	9.2
193.05150	9.6
201.11320	7.4
210.91211	7.5
221.08130	7.1
276.13586	12.2
289.07309	8.9
289.14352	14.7
333.13467	10.8
373.00391	7.1
455.36957	8.1
495.16501	79.7
495.32092	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	495.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72383	1.8
56.22668	2.1
59.01385	5.8
61.98823	6.7
64.12149	1.8
71.01393	2.2
82.66735	1.8
86.15065	1.7
91.49381	1.9
94.37445	1.9
110.00156	2.2
121.02950	5.9
122.03736	3.8
123.00870	3.4
124.22686	2.1
135.04482	3.3
136.01668	3.4
137.02382	2.4
137.99553	4.3
146.03738	2.6
149.02419	2.2
150.03181	2.2
151.00314	2.1
170.03650	2.3
179.03421	2.0
183.04559	1.9
187.00279	1.9
187.03896	1.9
196.05382	2.9
197.06117	5.2
213.05527	6.3
224.04761	6.5
225.05579	9.3
227.03624	2.2
229.05061	2.6
237.05489	2.8
239.03552	1.9
240.04346	4.1
240.29449	2.3
240.58788	1.8
241.05032	12.1
252.04277	6.5
253.05087	16.4
254.05521	2.4
255.03018	2.2
255.06718	3.0
256.03842	2.4
256.07407	8.5
257.04593	7.7
259.06113	5.9
268.07437	7.6
269.04492	8.0
269.07355	2.2
271.06137	10.6
272.06708	2.8
284.06815	3.0
285.04095	3.5
329.10388	3.9
389.10101	3.5
405.09634	5.3
415.12073	4.5
417.09802	25.2
418.09851	2.7
420.12149	5.9
432.12143	32.6
435.14557	36.2
436.14752	2.9
447.14520	100.0
448.14850	7.8
462.13483	2.0
465.15649	31.6
466.15988	2.5
477.15833	3.7
495.16498	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	495.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	55.1
59.01388	12.6
61.98832	3.2
71.01389	10.0
73.02959	2.7
81.03474	1.0
83.01415	1.0
85.02979	4.4
87.00891	1.0
89.02452	1.4
99.00914	0.8
99.04528	32.2
101.02448	15.2
105.01953	1.2
109.02977	1.0
111.70107	0.5
113.02451	4.4
117.03473	1.3
119.03542	0.7
119.05049	1.3
120.99507	0.6
123.04526	0.6
125.02460	18.6
125.54285	0.5
132.04457	0.6
133.06630	0.8
134.03761	1.7
135.04558	1.0
141.01656	1.0
143.03519	1.6
145.02954	5.9
145.10298	0.6
146.03766	1.6
155.10797	1.7
156.11177	1.2
159.03011	1.2
159.04518	2.3
159.08186	1.1
161.04564	6.4
161.06068	2.0
162.03175	0.7
163.04054	2.6
171.08192	3.7
172.05338	0.8
173.04700	0.9
173.06078	3.4
174.06876	36.6
175.07591	2.8
179.03445	1.2
179.38345	0.6
185.06142	0.9
187.07675	1.8
188.08449	15.8
189.09227	100.0
190.09558	3.0
191.05730	0.8
199.09810	1.8
200.10194	0.9
203.05605	0.6
203.07196	5.0
205.05069	1.7
215.10785	1.8
231.10277	2.1
243.08708	0.7
265.07120	2.2
296.16516	0.5
296.50864	0.6
333.13412	8.5
349.22089	0.8
351.14462	6.2
393.15814	3.9
394.15805	0.7
433.18509	1.1
495.19104	1.7
495.27139	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	495.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49878	0.6
50.89521	0.6
57.03451	4.4
59.01391	4.6
61.78470	0.6
64.88154	0.7
69.13511	0.7
69.32419	3.9
71.01402	1.2
81.03461	6.2
83.01392	5.0
83.05033	3.2
85.02959	0.9
89.02467	1.1
93.38044	0.7
99.04534	10.5
101.02484	0.9
107.05083	0.7
109.06612	2.6
113.02468	0.8
118.49610	0.7
122.03795	1.3
123.04543	3.4
123.08147	0.7
124.01679	2.5
125.02486	2.4
133.06581	0.8
135.08203	1.9
137.02478	2.6
138.03244	2.1
151.00363	1.0
163.11293	2.4
165.09299	0.9
166.02721	9.0
167.03430	1.0
179.03511	7.8
180.04332	1.0
191.03554	2.8
192.04259	1.1
203.14423	4.8
205.05168	0.7
205.12350	15.9
207.10387	0.8
219.06581	1.0
223.13463	1.3
225.05754	0.7
229.12347	1.5
233.08087	1.3
234.09087	1.1
245.15509	2.1
247.13429	9.7
260.39767	0.7
271.13596	1.4
273.11383	1.4
289.14536	3.6
291.12399	28.8
292.12796	1.9
315.12442	1.4
333.13458	100.0
334.13840	4.3
357.13531	5.3
375.14359	1.5
383.06305	0.7
416.01602	0.7
495.18777	31.7
496.19009	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	495.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.3
59.01384	50.8
61.98836	4.0
67.01904	0.7
69.03474	1.4
70.46744	0.6
70.82082	1.1
71.01386	48.4
72.99329	1.4
73.02951	28.5
73.62025	0.7
74.02477	2.8
75.00910	1.6
75.30325	0.6
75.89581	0.6
81.03488	0.6
83.01393	11.7
83.05068	0.6
85.02955	28.2
86.00117	1.6
87.00889	5.0
87.04523	6.0
89.02453	14.2
95.01397	4.0
96.96055	0.8
97.02946	3.0
99.00892	10.6
99.04530	1.2
101.02453	49.6
102.02823	1.0
102.05636	2.4
103.04042	1.9
104.22349	0.7
108.02211	0.8
109.02961	0.8
111.00883	5.2
113.02460	19.1
115.04025	1.5
119.03515	0.8
125.02448	3.6
128.03537	3.6
128.62927	0.5
129.01909	1.4
131.03490	3.2
135.04520	1.4
143.03525	2.5
146.04594	1.2
149.04579	1.9
159.03004	3.5
160.54802	0.6
161.02525	0.8
161.04578	12.9
191.05620	1.0
199.09407	0.6
199.17175	1.0
201.18690	1.1
203.54134	0.7
233.06784	2.8
254.94638	0.6
293.08923	1.8
343.81540	0.6
363.23911	72.0
364.24350	4.6
451.21127	1.0
495.28290	100.0
496.28546	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	495.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82476	0.8
54.77555	0.7
57.03456	4.2
59.01385	45.0
61.98826	3.4
69.03442	1.2
69.12191	1.4
69.12604	3.6
71.01388	46.4
72.99332	1.3
73.02953	28.3
75.00880	1.7
82.54004	0.7
83.01392	10.7
85.02956	25.0
86.00105	0.8
87.00880	3.0
87.04517	1.1
89.02453	13.5
93.50626	0.8
93.51214	0.7
95.01379	3.3
97.02936	2.7
98.22694	1.3
99.00889	9.7
99.04517	1.6
101.02448	45.6
104.68592	0.7
111.00866	3.8
113.01727	1.2
113.02468	19.5
114.28802	0.8
115.04010	1.5
119.03532	1.2
125.02438	3.7
129.01953	1.8
131.03496	2.8
132.04535	1.8
133.04880	1.0
137.09769	1.8
143.03557	1.5
145.45804	0.8
149.04546	2.0
150.05475	0.8
155.10797	7.7
156.11139	2.1
159.02988	4.7
161.04562	9.4
181.08752	1.8
182.08972	1.8
187.42528	0.7
199.09712	3.5
199.17064	1.0
200.10162	0.9
201.18605	1.4
214.88277	0.8
233.06679	2.6
293.08716	2.0
295.77283	0.9
296.79852	0.8
328.31052	0.7
363.23904	66.9
364.24258	2.7
495.28128	100.0
496.21542	1.4
496.28256	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	495.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78828	0.8
57.03445	4.4
59.01385	59.4
59.69503	0.8
61.36557	0.8
61.98816	2.7
69.03460	2.7
69.16594	3.8
71.01389	64.6
72.99308	2.7
73.02953	30.8
75.00898	2.1
79.47148	0.8
81.03442	1.4
83.01394	12.5
85.02960	30.6
86.00113	2.1
87.00883	4.3
87.04519	3.2
89.02451	22.5
95.01389	4.4
97.02948	3.7
99.00897	9.1
101.02452	53.2
102.02806	1.2
111.00888	4.8
113.02457	22.7
115.04024	1.6
119.03503	2.0
125.02481	4.2
129.01974	1.4
131.03520	7.5
135.04460	1.3
137.02452	0.9
141.01962	1.0
143.03529	2.4
149.04581	4.2
159.03017	5.1
161.04581	17.2
179.03580	1.3
191.05634	2.2
199.09901	0.9
199.17032	0.9
201.18692	0.9
233.06688	3.5
271.18814	0.9
284.14569	0.8
287.63998	0.8
289.70035	0.8
293.08826	1.3
327.21643	1.0
363.23904	83.8
364.24194	6.5
453.14581	0.8
480.46744	0.8
495.28177	100.0
496.28671	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	496.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24379	0.2
54.67442	0.3
57.03453	10.7
59.01377	1.7
61.98835	9.0
69.40901	1.0
71.01373	0.5
73.02944	0.4
83.01388	0.3
85.02912	0.2
97.86906	0.2
99.04522	2.3
101.02461	3.4
111.32024	0.2
113.02435	0.3
123.04540	0.3
125.02460	0.5
130.02098	0.2
130.03024	0.7
131.03780	14.6
132.04439	0.3
135.04491	0.3
147.03290	0.5
148.04053	6.7
148.05231	0.3
158.02455	1.5
161.02594	0.3
174.01978	3.1
175.02753	3.6
177.01952	3.1
189.01817	0.8
189.04323	12.4
190.05107	100.0
191.03659	0.6
191.05420	3.2
204.06653	0.5
212.04865	0.2
212.53525	0.3
216.14349	0.2
232.06184	0.6
271.39594	0.3
275.09375	0.8
334.09503	1.6
352.05765	0.3
352.10382	16.7
353.10767	1.0
394.11435	19.9
395.11588	1.2
434.14575	8.1
435.14838	0.5
495.31790	0.6
496.14633	3.7
496.31982	0.6
497.16116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.01380	5.0
61.98837	100.0
62.28503	0.4
69.32661	1.9
71.01400	1.6
73.02959	0.7
85.02980	0.6
87.00887	0.7
89.02470	1.3
98.60606	0.4
101.02449	0.9
102.05639	0.7
107.37769	0.4
108.02184	0.6
109.03031	0.6
113.02476	0.5
116.92879	0.5
125.02515	0.4
126.74187	0.5
128.03566	1.3
134.03802	0.5
135.04558	1.2
141.10869	0.4
143.10835	0.4
145.06282	0.4
152.01227	0.6
153.01988	0.8
154.89526	0.4
155.10789	0.7
161.02475	0.9
167.03479	0.8
168.03969	0.5
179.03552	0.8
191.05713	0.5
198.52588	0.4
198.87315	0.4
338.02631	0.4
496.16788	0.4
496.25879	1.3
497.16428	0.6
497.28860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75748	0.6
55.01885	1.0
57.03459	1.0
57.26185	0.6
59.01385	25.4
61.98845	3.6
66.04665	0.5
69.25504	0.8
69.25800	3.4
71.01390	14.3
73.02956	5.0
85.02937	3.0
89.02457	9.2
93.03455	0.5
95.01402	1.0
98.22623	1.2
101.02460	8.5
107.05060	5.9
113.02477	5.2
116.05089	1.2
119.03504	5.2
133.02980	0.8
134.06111	2.2
135.08167	2.1
137.09740	11.1
137.90932	0.8
145.16611	0.5
155.10797	100.0
156.11113	3.0
161.04588	1.5
163.07646	2.1
166.92024	0.6
179.05676	1.7
181.08772	4.8
199.09781	70.0
200.10071	2.5
245.15508	1.9
289.14557	1.4
316.15546	5.9
363.23871	1.8
364.24319	2.1
375.04413	0.7
496.21921	50.0
496.28333	3.8
497.22211	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	496.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09289	1.5
61.98824	5.1
69.19318	9.0
71.38191	1.6
78.95910	48.7
96.96976	6.5
120.65967	1.3
141.96506	1.5
147.03259	1.8
152.99605	100.0
154.99837	1.4
168.00446	1.6
171.00653	4.0
175.90927	1.4
242.79048	1.4
279.23370	1.9
413.30188	1.5
433.23569	22.2
511.80386	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	496.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37767	0.3
57.17963	0.3
59.01391	0.6
61.86146	0.4
61.98835	100.0
70.05873	0.5
70.06200	0.6
71.01378	0.6
85.02892	0.3
95.28893	0.3
98.21954	0.4
101.02474	0.4
110.75587	0.3
116.92925	0.6
121.02995	0.5
127.52852	0.3
149.32639	0.3
179.03368	0.3
190.05232	0.4
191.05714	0.4
202.04190	0.3
261.43314	0.4
275.39526	0.4
301.03635	0.4
385.56064	0.4
410.46350	0.4
443.47018	0.4
524.05310	0.4
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
55.10136	18.6
58.67348	18.0
58.96227	16.6
59.01377	31.9
60.03619	14.4
65.11740	17.1
70.87499	32.5
74.45785	18.4
85.13251	16.4
88.21410	21.1
94.97202	17.9
165.12784	24.0
179.16907	18.9
184.62979	18.1
291.19675	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	497.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46852	0.9
59.01381	7.8
61.72792	0.8
61.98830	1.0
66.17926	0.8
67.22284	1.0
71.01384	3.8
76.46640	0.8
78.95879	0.8
89.02458	4.9
93.03464	38.4
97.94508	0.9
101.02443	3.0
113.02461	2.2
115.03944	1.1
119.03525	1.2
135.04559	1.1
136.01636	1.1
137.02458	100.0
138.02794	2.8
151.04027	1.0
161.62642	0.9
179.03496	5.1
187.07214	1.1
191.21490	1.0
197.02986	1.1
212.67000	1.0
239.05577	2.0
261.00681	1.0
299.07742	42.2
300.07907	1.1
320.47769	0.9
335.04794	1.4
497.10831	2.7
497.17749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.2
69.03472	3.8
71.01398	30.6
71.39569	3.2
73.02961	4.0
74.75408	2.2
82.50494	2.1
85.02958	12.9
87.00877	3.1
87.04528	3.8
89.02462	16.2
93.03477	37.0
95.01413	2.2
97.02956	2.7
99.29637	2.8
100.04055	5.1
101.02443	12.9
109.02995	3.3
112.04047	2.5
113.02462	18.6
115.04028	8.4
119.03516	7.7
125.02442	2.7
127.03985	3.6
130.76080	2.3
131.03522	16.1
135.04547	3.7
137.02467	100.0
150.04254	3.4
161.04602	4.1
173.04546	3.5
179.03510	5.8
179.05695	3.8
197.03084	8.2
205.99933	3.0
213.00774	6.3
213.41322	2.5
221.06673	3.3
236.07806	2.6
239.03947	2.9
262.09503	3.5
275.07834	9.6
284.29965	2.4
299.07773	43.9
335.04810	3.9
355.02042	5.2
437.00787	3.3
437.07706	4.9
437.13055	33.7
497.10394	3.7
497.17120	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	497.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.2
69.03472	3.8
71.01398	30.6
71.39569	3.2
73.02961	4.0
74.75408	2.2
82.50494	2.1
85.02958	12.9
87.00877	3.1
87.04528	3.8
89.02462	16.2
93.03477	37.0
95.01413	2.2
97.02956	2.7
99.29637	2.8
100.04055	5.1
101.02443	12.9
109.02995	3.3
112.04047	2.5
113.02462	18.6
115.04028	8.4
119.03516	7.7
125.02442	2.7
127.03985	3.6
130.76080	2.3
131.03522	16.1
135.04547	3.7
137.02467	100.0
150.04254	3.4
161.04602	4.1
173.04546	3.5
179.03510	5.8
179.05695	3.8
197.03084	8.2
205.99933	3.0
213.00774	6.3
213.41322	2.5
221.06673	3.3
236.07806	2.6
239.03947	2.9
262.09503	3.5
275.07834	9.6
284.29965	2.4
299.07773	43.9
335.04810	3.9
355.02042	5.2
437.00787	3.3
437.07706	4.9
437.13055	33.7
497.10394	3.7
497.17120	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	497.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18636	0.6
59.01385	17.6
61.98834	1.6
69.08310	0.5
70.25317	1.4
71.01384	1.3
76.01983	0.6
91.63500	0.7
101.02463	1.1
108.02120	0.6
130.27730	0.6
133.02951	0.8
134.03734	0.8
135.04552	2.4
145.02914	1.1
152.01231	0.7
161.02493	1.3
177.02007	0.9
177.05525	0.6
179.03563	1.1
190.05092	3.7
191.03543	3.4
193.05118	1.2
201.01952	93.9
202.02245	3.0
243.06699	1.0
245.04485	1.0
257.08258	0.7
260.06900	14.3
275.09274	100.0
276.09644	4.4
285.07608	1.2
352.10254	1.1
451.32816	1.0
497.15891	0.7
497.26614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98834	76.8
69.95541	3.1
71.01366	4.9
73.02971	3.2
75.00298	3.2
78.91872	17.0
89.02402	3.1
92.88818	3.0
99.04534	6.2
101.02472	3.2
109.02988	9.0
118.45964	2.9
119.04984	3.8
121.02983	5.0
123.04515	4.9
124.01672	3.4
135.04543	5.2
137.02478	3.4
137.06094	7.4
149.02457	3.3
149.06100	3.4
153.01996	4.3
161.02481	5.8
163.00403	4.6
165.44933	3.6
165.66617	3.4
179.03474	6.9
181.05115	24.2
190.99887	27.4
192.99631	3.0
193.05066	3.1
206.02223	45.4
207.54350	2.9
209.11743	3.1
229.14192	3.2
270.72391	3.1
275.09467	3.7
300.73154	3.2
317.13898	3.9
319.11957	4.3
335.15039	12.6
497.15543	4.3
497.21005	7.1
497.30475	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	497.1665
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
56.78910	0.6
57.03440	0.7
59.01378	5.0
61.98833	15.5
69.03460	0.6
69.61832	2.2
71.01390	3.0
73.02940	1.6
80.91728	0.5
81.03467	2.1
83.01391	1.0
85.02946	1.6
87.04527	3.0
89.02464	1.1
93.03473	1.2
95.01369	0.7
97.02910	1.0
99.04569	0.7
100.39318	0.6
101.02420	1.2
108.02178	44.5
109.02970	30.3
110.03282	0.7
111.55598	0.6
119.05051	0.9
121.02918	0.7
122.06197	0.6
123.00875	0.9
123.04529	3.1
124.01666	0.8
125.02464	2.7
135.04544	1.0
135.08150	1.0
137.06104	0.7
137.09698	3.8
145.02895	0.8
145.06223	1.0
151.04013	1.2
152.01167	57.7
153.01955	23.3
155.10782	16.7
163.04005	0.9
167.03520	8.7
167.23753	0.6
168.00655	1.1
169.12425	0.8
177.05499	0.7
179.03572	1.4
179.10765	1.4
181.05054	2.0
181.08774	1.1
183.10326	0.7
191.03435	1.1
191.10709	0.8
195.10318	0.8
199.09801	5.1
221.08057	1.2
241.10823	1.4
273.05014	1.2
273.07700	11.9
283.11734	1.2
294.09842	0.6
297.07721	1.9
335.14951	1.3
435.12958	3.3
444.60605	0.6
453.17871	4.4
479.15994	0.7
497.16672	100.0
498.17078	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	497.1801
Annotation	Interiotherin B
Peak:m/z	Relative Intensity
50.96026	1.5
59.01384	19.3
61.98842	8.8
69.13110	7.8
69.13519	2.7
71.01394	10.0
71.61545	1.3
72.04552	1.5
73.02943	3.9
82.02973	2.7
84.04564	3.1
85.02949	2.8
89.02445	14.9
99.00884	4.1
101.02436	6.5
102.05623	1.5
105.01981	1.8
109.04078	7.1
113.02456	3.2
125.02441	4.2
127.05137	30.6
128.03531	10.3
131.03479	1.6
139.08772	2.4
139.11325	3.6
145.06219	10.7
149.04558	10.0
156.13959	6.0
159.36124	1.4
166.62642	1.8
167.10751	2.9
171.10342	2.0
184.13449	2.2
185.11775	2.1
191.05595	3.5
223.18156	2.3
233.06673	2.7
251.17654	8.8
293.08798	20.9
293.66275	1.6
329.06595	11.9
369.40356	1.6
403.75821	1.5
435.28503	2.5
437.23990	2.9
453.29660	4.8
479.27274	7.2
497.17392	3.7
497.28796	100.0
498.28363	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	497.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98350	3.4
59.01378	61.1
61.98853	5.1
69.89730	11.7
71.01393	43.3
73.02957	8.4
85.02953	6.6
85.06614	7.2
89.02460	68.7
97.02960	4.1
99.00887	15.5
101.02465	14.5
109.04087	8.4
113.02458	10.4
119.05030	8.1
125.02483	19.3
127.05144	36.4
128.03557	9.7
131.03508	11.8
139.11281	6.1
145.02966	10.8
145.06192	11.0
149.04568	54.3
156.13950	11.4
163.03996	5.4
167.10838	14.0
184.13426	4.8
191.05644	10.3
233.06728	14.0
251.17747	12.8
277.15878	4.9
293.08810	95.8
294.09290	4.6
311.09915	7.0
329.06485	63.3
479.27487	9.2
497.18246	25.0
497.28796	100.0
498.28760	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	497.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	42.9
61.98836	100.0
64.67311	4.7
71.01389	24.3
73.02949	5.2
85.02964	12.0
89.02460	25.1
93.03467	11.3
93.40907	4.4
99.00874	8.1
99.04490	5.9
101.02441	21.9
109.02964	6.7
121.47961	4.1
123.04525	6.4
127.62776	4.4
131.03566	6.1
133.02989	6.9
135.04538	15.5
145.06142	4.9
149.04576	25.4
161.04506	5.2
173.04585	6.2
177.02057	4.7
179.03529	20.0
190.05261	6.2
191.05624	34.0
201.01978	33.3
251.03647	6.4
275.09344	38.6
279.02921	9.0
289.07095	6.5
297.21649	3.9
306.04126	34.6
374.57700	4.8
461.20343	4.7
497.18817	21.2
497.26227	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	497.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.4
61.98841	3.9
69.32546	3.1
71.01364	0.9
71.05018	0.6
73.02945	0.7
74.87554	0.5
74.99110	0.6
83.01393	1.1
89.02435	0.6
95.01387	1.2
95.05057	0.6
97.02939	1.3
98.22614	1.2
99.04494	0.6
101.02435	1.2
105.03526	0.5
107.01379	0.6
109.02952	4.0
119.04990	0.6
121.02994	1.1
123.00906	1.9
124.01669	1.9
125.02473	4.2
133.02914	2.6
134.03720	0.5
135.04521	1.1
136.01669	21.8
137.02461	17.9
138.03258	0.5
141.01721	0.8
147.04529	0.8
148.01752	0.7
149.02419	3.8
149.06198	0.7
150.03319	1.3
151.04010	1.0
158.03752	0.5
159.04524	1.1
161.02452	13.5
161.06027	0.6
162.03207	0.8
165.01945	2.5
166.99869	1.8
167.03499	0.8
175.04001	4.3
176.04822	6.7
177.01945	14.6
177.05556	7.1
179.03500	1.5
180.04225	0.5
182.02248	0.8
189.09277	0.7
190.06267	0.8
191.07184	5.3
192.00768	0.7
193.01436	5.5
195.02994	1.5
199.07669	2.0
202.06372	0.7
207.02951	0.8
215.07135	17.4
216.07498	1.0
217.05273	0.7
217.08716	9.1
241.08803	0.7
243.06610	0.7
247.13358	1.0
255.03004	1.9
257.11835	2.6
258.12628	2.7
273.07730	1.0
273.15030	1.2
275.09915	1.1
275.12918	20.6
276.13660	19.4
277.13998	1.0
283.02545	1.4
283.09775	0.8
291.15979	1.3
299.05554	1.0
301.10815	4.3
302.11597	1.6
317.13977	2.1
319.11880	51.4
320.12509	8.0
335.15036	6.3
416.07938	0.7
446.08560	1.0
461.10822	2.7
482.17996	21.1
483.18259	2.2
497.20364	100.0
498.20645	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	497.2166
Annotation	Heteroclitin B
Peak:m/z	Relative Intensity
59.01381	46.5
61.70082	5.7
61.98838	34.0
66.32762	6.2
70.34124	14.0
71.01385	17.5
73.02981	6.0
89.02451	16.5
90.75279	6.0
98.22558	6.8
101.02467	10.7
103.74754	6.5
113.02479	8.6
119.03568	8.7
123.04372	5.5
153.01080	6.3
212.89368	6.4
329.19879	8.2
427.36249	6.8
461.17728	10.2
461.23901	96.3
497.21628	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	497.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03452	2.2
59.01384	66.1
61.98823	1.4
69.23916	9.2
71.01386	49.5
72.99290	2.1
73.02946	12.9
75.00879	2.2
76.68933	1.5
78.30537	1.5
80.05074	2.2
80.09828	1.6
83.01402	6.6
85.02966	16.2
87.00897	4.5
89.02454	41.8
93.03465	3.9
97.02962	2.8
98.22627	2.7
99.00917	4.1
99.04510	1.9
101.02454	34.5
108.04568	5.9
111.00899	3.3
111.04539	1.9
113.02465	14.4
119.03508	4.6
125.02444	2.8
131.03520	18.7
133.02979	3.3
134.03830	1.9
135.04539	21.3
136.04089	1.9
137.02458	2.7
138.05637	3.2
147.03302	1.7
148.04103	5.1
149.04572	26.2
150.05699	2.3
159.02965	1.8
161.02473	8.9
161.04559	9.0
162.54449	1.4
166.05116	16.6
172.86259	1.6
179.03522	18.5
191.05624	11.5
210.04079	5.8
233.06720	3.0
289.43372	1.5
305.16006	19.1
328.10373	8.5
335.07745	5.5
372.09390	21.1
373.09650	1.8
420.77054	1.6
437.20279	100.0
438.20667	6.0
497.17505	3.1
497.26004	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	497.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.6
59.01083	4.5
59.01385	94.1
61.98831	11.5
71.01392	60.9
72.99301	3.4
73.02959	11.7
75.00880	3.1
83.01398	6.8
85.02962	15.0
87.00909	5.1
89.02453	47.0
93.03487	5.0
94.06622	6.4
95.01371	4.1
97.02984	3.9
99.00900	8.3
101.02459	39.4
108.04556	6.1
111.00937	2.9
113.02498	20.3
115.04025	3.2
118.04253	2.6
119.03462	6.6
120.04561	4.8
122.06168	4.5
124.87184	2.9
125.02437	3.7
131.03540	11.4
135.04543	17.2
138.05618	6.4
148.04083	4.3
149.04575	15.4
161.02472	5.7
161.04559	8.4
166.05116	46.4
173.04674	3.1
177.04561	2.7
179.03551	10.7
184.53627	2.6
191.04152	2.6
191.05692	11.9
191.10851	3.1
210.04111	35.7
224.05705	8.8
233.06718	3.4
252.05165	12.1
291.16083	3.4
305.16156	27.0
372.09393	50.2
373.09674	4.3
437.20294	100.0
438.20520	5.7
497.17978	7.4
497.25992	18.2
503.17798	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	497.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98831	3.6
69.68398	4.4
69.68771	3.4
71.01392	63.7
71.65131	2.3
72.99288	2.8
73.02963	17.8
83.01403	8.7
85.02968	21.7
87.00907	5.1
89.02459	58.9
94.06618	3.0
95.01409	2.8
98.22564	2.6
99.00923	3.7
101.02457	48.7
108.04581	6.8
111.00874	4.7
113.02453	17.2
119.03513	3.7
125.02448	3.7
131.03532	19.5
135.04541	10.6
137.02489	2.9
138.05714	3.4
143.03558	2.7
146.28235	2.2
148.04045	3.3
149.04562	30.7
150.76820	2.0
153.05492	2.4
159.03001	4.9
161.04584	12.1
166.05118	16.1
168.11734	2.5
179.03506	6.1
191.05637	19.4
194.04788	2.4
210.04118	7.0
224.05684	3.0
252.05322	2.7
273.12286	2.2
305.16132	22.2
328.10461	4.8
335.12088	2.6
372.09363	19.7
437.20313	99.1
438.20642	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	498.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
61.98837	100.0
70.88674	0.3
71.01409	0.2
71.83901	0.2
81.03468	0.5
89.02484	0.2
92.22362	0.2
93.03477	0.5
95.87132	0.2
106.73071	0.2
119.05048	0.7
120.22452	0.2
123.04530	1.9
125.02483	1.0
135.04579	0.3
136.01752	0.3
137.02448	0.3
145.02942	0.2
146.87656	0.2
149.02466	0.5
150.06941	0.6
157.08740	0.3
167.03511	5.8
179.03513	0.8
179.10878	0.5
189.05605	0.2
190.06422	0.3
191.03615	0.2
191.07149	0.3
201.32152	0.2
205.08713	0.2
206.09090	0.3
273.07727	9.4
274.08099	0.3
275.12949	0.3
276.13574	0.6
277.14203	0.2
317.48431	0.2
318.14630	0.2
319.11966	0.5
320.12338	0.7
336.15439	0.2
336.19382	0.2
337.20337	0.6
371.14612	0.2
435.12979	1.0
436.13498	0.2
483.18518	0.5
485.60345	0.2
495.13324	0.2
497.20145	0.3
498.20847	2.3
499.25821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	54.2
60.66253	3.6
69.67721	12.5
71.01388	99.7
73.02966	10.2
82.86196	3.9
83.01385	5.6
85.02960	12.3
86.32292	3.7
87.00909	12.3
87.04542	5.8
89.02469	37.3
97.02991	7.3
97.71588	3.4
99.00906	4.8
101.02448	31.2
111.00922	5.8
113.02469	21.7
115.04055	4.8
125.02470	4.4
129.05600	8.4
131.03543	12.8
143.03575	5.4
147.06657	23.4
149.04553	15.0
152.24158	3.6
161.04601	8.9
173.08202	14.6
191.05702	5.7
201.07713	23.6
201.71275	3.4
233.06792	5.9
263.11462	4.7
293.08804	7.3
395.15637	100.0
423.15100	52.5
455.17618	21.4
463.87177	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	498.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54747	1.6
71.41942	2.7
73.04079	17.3
74.02101	3.2
74.02480	40.0
78.95906	3.9
87.05631	3.0
88.61637	1.8
112.02780	2.6
118.05131	5.1
126.09300	2.1
128.73700	1.9
130.08737	2.5
139.08745	2.1
141.10362	4.0
143.11908	20.8
152.07187	6.2
152.99571	4.9
169.09860	6.7
187.10902	6.2
200.14037	38.6
226.21745	35.6
227.21770	2.1
283.23926	19.5
322.92621	2.3
327.75720	2.0
379.29663	3.1
397.30743	5.3
410.34052	3.0
454.32880	100.0
455.33130	6.6
498.35446	39.2
499.36099	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	499.08
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08046	0.9
59.01111	0.8
59.01366	4.4
61.98837	20.1
67.89569	1.0
69.62578	2.1
70.08961	0.8
71.01392	3.7
83.01382	5.0
85.01462	3.3
98.22711	1.1
98.99406	10.7
99.00873	1.4
101.00970	5.9
102.98898	1.4
115.02585	1.3
115.04034	2.3
117.00455	7.3
125.00977	11.5
126.98891	3.2
129.00395	1.2
139.02510	1.1
141.00461	41.2
142.00536	1.6
143.02007	2.0
151.02567	1.6
153.00446	9.3
155.02005	3.7
156.98431	3.8
156.99817	1.2
165.00436	3.7
167.02007	5.9
168.99921	2.0
171.01443	1.2
171.05064	1.7
178.99063	0.9
179.00520	4.6
179.02020	1.8
180.98473	23.6
181.00056	1.6
181.98596	1.5
183.01498	4.5
184.97928	1.3
191.53781	0.9
191.90025	1.0
195.01538	5.5
197.03024	6.4
198.99484	4.5
199.01105	1.8
199.04607	2.9
207.01591	1.3
208.97920	2.0
209.03105	2.0
217.00464	1.5
222.99496	83.8
223.99663	7.5
225.01036	1.6
239.02695	1.2
241.00565	13.6
242.00810	1.7
246.99490	3.7
250.99054	4.6
259.01590	1.1
265.00552	3.2
267.01920	2.7
269.00189	1.3
283.01630	100.0
284.01776	10.0
295.01581	5.0
301.02600	1.3
307.01660	5.2
313.02734	2.4
337.02707	3.8
339.04114	1.0
343.03812	5.6
356.99799	1.3
361.04755	12.2
385.04633	0.9
421.08044	1.0
439.05719	6.8
457.06897	51.4
458.06961	6.5
484.23645	1.0
499.07962	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	499.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.11364	3.0
65.95785	3.1
71.01394	31.5
73.02951	6.2
85.02958	5.8
89.02451	31.3
91.79356	2.9
97.00452	4.9
99.71365	2.9
101.02448	10.7
113.02479	10.5
118.03008	7.1
119.03508	9.2
132.92412	3.2
144.04585	29.6
146.02524	27.9
149.00909	4.3
153.01939	3.9
156.99088	10.7
157.03703	7.2
158.06125	6.7
160.04106	3.6
161.04552	4.8
179.05618	12.3
186.96648	3.7
189.14709	3.3
192.84979	3.3
216.06635	8.1
217.00291	6.4
242.42548	3.3
285.71371	3.5
293.08655	5.5
308.07895	3.6
318.23111	3.2
341.10907	80.7
342.11340	7.7
348.11230	3.7
440.12085	9.5
482.13290	4.2
500.14279	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
59.01390	12.0
61.98817	1.0
63.71059	0.6
64.39912	0.6
64.40685	0.5
67.59372	0.6
69.03477	1.0
69.04902	0.6
71.01385	12.8
71.05013	0.8
71.13796	0.5
72.99320	1.8
73.02955	2.8
80.36501	0.7
83.01392	6.7
85.02955	3.9
86.06045	0.6
87.00894	1.3
89.02467	5.9
93.03458	1.7
95.01385	1.5
96.96027	1.5
99.00897	8.3
99.04557	0.7
101.02470	6.5
107.05054	0.9
109.02972	10.2
111.00941	0.7
111.04583	1.1
112.01687	2.6
113.02480	8.7
115.00367	3.2
119.03532	1.5
119.05032	1.2
121.06618	4.4
123.04540	4.9
127.04008	1.1
131.03514	5.2
131.04987	1.2
132.04533	0.9
133.02986	2.8
135.04530	4.7
137.02452	0.9
143.03497	1.1
144.04593	0.8
145.02982	3.1
147.04568	5.7
148.05283	3.5
149.06099	100.0
150.03220	1.4
150.06433	3.5
151.03944	0.8
153.05592	8.4
159.04460	1.5
161.02472	8.3
161.04578	5.3
161.06061	1.8
163.04044	6.3
165.05597	5.2
166.02826	0.7
171.04553	0.9
173.04604	3.3
174.03238	2.0
175.02574	1.0
175.04012	19.0
177.01936	10.6
177.05534	1.4
179.05663	0.8
185.06044	0.9
187.03972	2.2
188.04839	1.4
189.05597	2.3
191.03503	2.5
191.05579	0.8
193.05093	13.8
203.03339	0.8
203.07219	2.0
205.05032	2.2
206.02188	1.9
209.04582	0.9
215.03496	1.4
219.03003	36.9
220.03246	1.2
223.08223	8.6
229.05023	1.0
231.06615	2.5
233.04567	9.8
233.08321	0.8
237.04063	52.1
238.04286	1.2
247.06206	0.7
249.07777	0.9
255.05170	1.0
257.04492	0.9
275.05536	2.3
275.07944	11.2
277.03549	9.7
293.06702	6.2
319.04620	11.8
320.04868	0.7
337.05685	47.5
338.06113	2.5
381.08331	8.8
399.09372	7.7
439.08710	4.4
446.84424	0.9
461.16547	1.7
481.09814	6.5
499.11044	7.6
499.18689	1.1
500.11307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.7
59.40893	2.0
61.98846	2.6
69.03448	5.9
69.56886	7.4
71.01376	8.7
72.99281	2.1
80.20422	1.9
83.01396	4.9
85.02940	2.7
87.00854	2.0
89.02444	2.8
97.02953	3.3
98.47946	2.0
99.00887	2.4
111.00860	2.8
114.99422	1.8
140.01161	6.0
141.01979	10.8
149.06088	10.4
155.03505	2.4
175.03932	2.7
193.05121	3.1
219.02962	5.4
231.68825	1.9
237.04073	5.2
337.05603	6.0
419.37762	2.1
421.08951	1.9
449.13037	100.0
450.13315	6.3
463.01071	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	499.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.6
57.03452	4.5
59.01385	70.5
61.98829	5.9
69.03471	8.3
69.35050	3.0
69.35448	2.5
71.01386	77.6
72.99355	2.7
73.02959	17.2
81.03458	1.6
83.01407	9.5
83.05029	2.6
84.48510	1.3
85.02962	25.3
87.00892	4.7
87.04532	5.5
89.02457	29.9
93.03467	21.4
95.01406	4.5
96.22643	1.2
97.02953	2.4
98.22569	1.8
99.00866	6.7
99.04532	1.5
101.02454	47.8
109.02952	3.5
111.00912	2.3
111.04545	4.2
112.01682	20.2
113.02460	49.0
113.03266	2.6
115.04031	3.4
119.03508	10.7
125.02489	2.3
127.04063	9.4
131.03519	32.9
137.02463	47.9
138.02829	2.5
143.03525	4.3
143.63492	1.5
149.06105	6.3
155.02072	2.6
155.03494	3.6
156.98209	1.6
159.03044	3.8
161.02556	2.0
161.04578	33.2
163.04062	1.3
172.24374	1.5
173.04546	12.2
179.03427	1.6
179.05666	11.1
181.03659	1.5
197.03122	3.3
205.99341	1.2
217.00209	2.4
219.03043	3.2
222.99553	2.1
223.08255	75.8
224.08611	2.4
237.04117	2.1
259.01279	1.3
272.52121	1.5
275.07764	100.0
276.08130	3.9
283.01749	1.6
299.07727	20.6
301.08200	2.3
337.05460	2.0
351.02380	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	499.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00278	2.6
52.25248	2.2
55.01881	3.8
55.43826	2.8
57.03442	8.1
59.01385	67.9
61.98829	14.3
66.37729	2.4
67.35052	2.8
69.03465	16.0
71.01386	60.9
71.01785	3.3
72.99290	2.7
73.02944	8.3
76.69827	2.8
81.03488	2.9
83.01382	6.0
83.05042	7.8
85.02947	28.7
86.16083	2.4
87.00898	7.0
87.04499	4.9
89.02454	31.6
93.03461	3.4
95.01412	7.4
97.02966	5.3
99.00876	3.5
99.04546	3.1
101.02459	25.3
107.05067	3.9
109.02955	6.5
111.04510	6.6
113.02460	60.7
119.03526	11.4
121.02936	13.3
123.04525	10.9
124.01658	5.5
125.02439	5.0
125.06086	6.0
126.90447	6.2
127.05147	7.3
128.03528	5.5
131.03517	19.6
133.05080	4.8
134.03735	3.1
135.04475	3.6
135.08125	3.5
135.11852	2.9
137.02489	5.2
145.06206	10.2
149.04573	3.2
151.04031	3.1
159.12035	2.8
161.02376	4.1
161.09747	6.3
175.03964	4.4
179.10756	17.0
191.05589	7.5
193.05098	3.6
209.11899	3.3
221.12006	3.3
223.09761	5.5
240.96696	2.8
265.10648	2.5
269.04620	3.0
269.26401	3.0
275.04706	4.6
275.07718	90.7
293.08804	100.0
293.13956	7.5
294.08948	5.2
321.13324	4.1
337.16541	8.6
455.19214	35.4
456.18933	3.0
481.15475	2.8
484.19431	2.8
499.18234	39.7
499.30054	28.6
500.29782	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	499.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92966	0.8
57.03455	89.8
59.01387	9.8
61.98841	2.1
67.94299	0.8
69.23046	3.0
69.23456	2.0
70.04742	0.8
71.01397	3.3
73.02956	1.4
79.12272	1.0
81.03474	1.9
85.02962	1.7
86.97102	0.9
89.02448	2.1
90.10462	0.9
99.04529	47.2
101.02451	14.2
109.02977	0.8
113.02497	2.1
123.04556	1.0
125.02459	12.5
127.05157	3.2
128.03532	1.5
135.04562	8.1
144.34880	0.9
145.06183	1.2
161.02498	1.2
161.04543	2.2
163.04033	74.9
164.04399	2.1
175.03961	0.9
178.06377	72.5
179.06783	2.4
193.08719	100.0
194.09097	3.0
202.64467	0.8
266.09903	0.8
285.04160	2.5
377.08606	1.7
423.25732	1.0
499.18130	1.0
499.30197	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	499.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.4
59.01385	78.6
60.60889	2.3
61.96281	2.1
61.98832	14.1
69.03447	10.6
69.55807	4.4
69.56216	8.6
71.01386	50.4
71.21588	2.4
72.99326	3.1
73.02955	4.2
81.03445	3.5
83.01398	4.2
83.05028	5.8
83.33206	2.2
85.02950	21.8
87.00886	18.0
87.04517	5.3
89.02459	28.1
95.01421	3.6
95.05037	2.6
97.02942	4.4
99.00875	4.2
101.02465	23.8
105.01968	3.2
111.04568	2.8
112.04045	9.8
113.02466	50.5
114.02802	2.9
119.03506	14.6
122.21737	2.9
123.00833	2.9
123.04523	2.8
125.02508	5.1
127.05119	5.5
128.03551	4.4
131.03499	16.0
133.05070	7.2
135.11810	7.5
139.04033	3.4
145.06209	7.1
155.03708	3.8
159.11777	3.8
161.04538	2.4
161.09724	7.4
165.05563	2.8
177.12883	4.9
179.05521	2.7
179.10764	31.2
193.12352	7.0
202.84174	2.5
203.10789	2.6
221.11844	24.8
251.13040	3.2
275.07736	23.4
293.08807	100.0
293.14044	6.6
294.09247	3.3
336.12061	3.0
354.26700	2.9
369.43933	2.9
398.85480	2.5
416.79010	2.6
439.32516	4.7
455.19199	80.2
456.19540	7.6
499.18130	25.1
499.31973	38.7
500.18018	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	499.1958
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
57.03494	11.0
59.01385	58.7
61.98838	26.4
71.01386	30.6
73.02955	11.8
78.29414	12.9
85.02972	26.8
89.02417	24.0
93.03508	14.3
101.02417	18.9
111.00872	19.6
130.08719	11.0
133.03004	14.5
134.03752	67.4
135.04558	14.6
137.02467	27.9
149.04578	23.1
149.06073	22.1
166.02702	22.7
178.02733	32.6
181.05052	32.3
189.72397	11.1
191.05623	34.9
193.05107	100.0
207.06714	11.7
288.59326	11.5
417.15524	27.4
463.21625	17.6
490.72696	14.0
499.19617	85.8
499.30890	12.1
500.11948	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.196
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01380	20.2
61.98829	10.9
65.94648	4.5
71.01389	18.3
71.41632	5.3
72.25417	4.0
79.59142	3.9
85.02968	14.9
85.12650	4.7
87.00879	4.8
89.02448	13.3
90.26838	3.8
93.03465	10.0
101.02466	7.0
108.02147	6.0
109.02978	15.4
113.02468	9.3
116.92890	14.2
133.02953	23.9
135.04492	14.7
151.00377	12.8
152.01154	7.2
153.01917	8.1
160.91808	4.6
161.02455	5.8
173.04561	10.4
174.26474	4.8
177.01956	17.5
179.03461	9.6
191.05632	68.5
207.74176	4.6
218.60458	5.1
227.69876	5.5
243.38338	4.4
271.02356	5.3
282.96365	4.7
285.03687	5.4
293.08987	5.1
300.02890	9.9
301.03510	29.6
323.01672	14.3
326.06808	12.5
439.21936	6.2
463.21866	20.9
499.19489	100.0
500.19812	9.9
516.46033	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	499.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	3.4
57.03453	2.3
59.01389	58.3
61.98839	13.2
66.05180	2.2
69.03471	4.5
69.32587	10.2
70.59103	2.2
71.01388	44.9
73.02962	17.3
73.60478	2.3
77.78953	2.2
81.03542	2.3
83.01402	7.1
85.02967	18.4
87.00891	5.8
89.02455	35.3
90.38104	2.8
93.03471	8.4
97.02942	4.0
99.00901	7.6
101.02449	30.8
108.02206	8.6
109.02984	9.1
109.59319	2.1
111.00892	5.8
113.02462	16.3
119.03525	4.5
125.02470	6.3
131.03513	9.9
134.03764	5.0
135.04541	10.3
137.02435	2.8
138.26511	2.5
139.04115	2.3
143.03554	2.4
145.12379	2.9
148.01715	2.1
149.04617	11.0
152.01190	5.7
153.01974	5.5
159.03069	2.9
161.04588	13.5
173.04561	7.3
176.01210	5.4
180.13866	2.4
182.31549	2.2
187.07541	2.5
191.05653	48.0
192.05879	2.6
233.06778	6.9
275.02390	2.7
276.41269	2.5
277.10785	3.2
293.08911	8.6
307.06039	2.3
307.17618	14.0
403.93604	2.7
439.21881	100.0
440.22391	4.2
463.21747	11.6
470.57822	2.4
499.18878	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	500.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85926	0.6
57.03446	2.1
59.01177	0.6
59.01389	6.7
60.99318	4.8
61.98830	4.7
67.01898	15.7
69.03471	3.6
71.01389	7.4
71.02621	0.7
71.05047	0.7
73.02945	1.7
81.03475	3.1
83.05021	2.6
85.02948	3.2
85.06604	1.9
87.00882	17.4
89.02459	2.7
89.03967	0.9
93.03468	100.0
94.03806	2.0
95.01370	0.9
99.00899	2.4
99.04536	0.9
101.02444	1.8
105.03487	2.7
108.02170	1.5
108.11315	0.7
108.75078	0.6
109.02997	4.5
111.04538	14.6
113.02473	2.7
115.04043	1.2
115.47683	0.6
117.03491	0.9
118.29581	0.6
121.02974	0.9
127.04095	0.8
128.03557	0.7
129.01941	1.6
130.08765	0.8
131.03479	1.2
133.02974	18.7
134.03758	1.5
135.04529	8.9
135.62523	0.6
137.02504	1.0
143.03455	0.9
146.02470	0.8
148.04083	3.1
149.04532	1.2
152.01129	0.7
153.01891	1.4
155.03523	2.9
155.93208	0.6
161.02502	1.1
161.04573	1.0
163.03983	0.7
173.04564	69.4
174.04878	1.5
174.33200	0.6
177.01944	7.5
179.03516	3.8
191.05630	18.2
192.05991	1.5
203.98335	0.6
209.06076	1.9
215.05632	6.9
220.05348	0.6
221.06142	0.9
223.04234	0.7
224.01886	0.9
235.04022	0.7
237.05620	2.2
239.07133	1.4
267.06369	0.9
283.06125	1.1
308.05646	4.1
326.06775	2.4
328.08328	1.8
335.09927	0.9
351.07248	7.8
500.12073	34.3
500.19315	2.8
501.12280	2.9
501.19772	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	500.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	1.4
55.48921	1.3
57.03434	1.9
59.01366	7.5
60.99296	3.3
61.43786	1.5
61.98841	12.6
67.01899	15.6
69.03457	3.6
71.01394	8.3
73.02930	1.9
77.03990	2.2
80.84229	1.4
81.03450	3.1
83.05032	3.0
85.02964	10.5
85.03412	1.7
87.00888	21.7
89.02448	3.0
89.03923	1.3
89.91448	1.6
93.03468	100.0
93.57487	1.5
94.03825	2.1
95.01440	1.6
95.05023	5.1
99.00870	2.8
105.03458	14.5
109.02260	1.8
109.02956	7.6
111.00872	2.0
111.04540	13.5
113.02454	1.9
120.04553	2.3
123.04528	4.5
127.04022	2.3
130.08754	12.7
132.02240	1.8
133.02971	94.7
134.03754	4.4
135.04538	26.7
137.02383	2.8
143.03473	1.7
146.02464	2.2
148.04068	13.7
151.04004	3.7
155.03537	3.3
160.01628	2.6
160.04056	4.2
161.02454	6.5
166.05281	1.4
171.03012	1.8
173.04556	49.6
177.01938	42.8
179.03470	11.0
183.03264	1.8
191.05623	87.7
192.06020	2.2
193.06569	3.6
199.02805	3.5
207.04541	2.8
209.06129	5.2
215.05675	9.0
219.04605	2.9
221.06093	4.1
229.12471	1.5
235.01816	2.2
235.03986	15.7
237.05608	14.4
263.03616	7.2
264.06689	2.5
265.05017	9.4
272.68582	1.5
280.06107	1.9
281.04532	1.7
283.06052	2.2
291.03073	12.8
307.08176	2.8
308.05685	51.4
308.08832	3.3
309.03833	2.8
324.44113	1.5
326.06677	13.5
329.74030	1.9
339.07047	2.3
351.07269	21.4
352.07724	3.1
353.08969	1.6
440.16486	2.0
463.21628	1.8
500.12073	99.2
500.24930	6.3
501.12531	7.3
501.19171	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	500.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41014	0.3
56.52890	0.3
56.80769	0.3
59.01381	5.1
61.98835	100.0
69.78553	0.6
69.78931	0.9
76.13789	0.3
83.01395	0.4
86.01567	0.4
98.22588	0.5
98.99404	0.6
99.99484	0.7
101.00964	0.5
106.34052	0.3
117.00486	1.1
118.00573	0.4
119.00134	0.3
125.00976	0.9
125.70979	0.3
126.01139	0.3
126.98895	0.5
141.00455	4.4
142.00574	2.1
143.00232	0.4
153.00504	1.5
154.00690	0.5
156.48576	0.3
157.03563	0.4
167.02058	0.6
174.99304	1.1
180.00723	0.4
180.98476	1.3
181.98595	2.1
182.98312	0.9
183.01541	0.5
195.01537	0.5
196.01718	0.4
197.03119	0.8
198.03276	0.4
200.04742	0.4
201.02570	2.8
217.00314	5.9
217.02243	0.4
222.99495	3.2
223.08514	0.4
223.99637	7.6
224.99252	2.2
242.00829	1.3
243.00391	0.5
251.99059	0.6
266.00690	0.5
283.01678	2.8
284.01746	9.5
285.01447	3.2
288.65427	0.3
296.01700	0.4
308.01981	0.6
309.01480	0.3
314.03003	0.4
343.03848	0.3
344.03918	0.5
357.03677	0.4
359.01474	3.9
362.05087	1.1
407.43555	0.3
440.06110	1.1
457.07013	0.4
458.07120	6.2
459.07019	1.8
500.08139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34805	1.2
50.52385	1.2
55.01858	1.2
59.01384	20.4
61.12364	1.2
68.64228	1.1
69.83936	3.6
71.01387	16.7
72.06743	1.1
73.02961	7.7
83.01396	2.8
85.02959	5.4
89.02450	18.6
92.05069	1.5
97.02968	1.5
98.21909	2.3
99.00887	4.2
101.02445	4.0
105.98464	1.3
111.96263	1.2
113.02460	8.1
114.84010	1.2
116.05075	3.8
118.03001	24.4
118.03841	1.8
125.02439	2.4
130.06635	4.6
131.03552	4.4
132.04573	2.7
134.06119	1.7
139.53432	1.5
142.06639	2.7
143.03555	3.2
144.04562	94.2
145.04956	2.4
146.02492	100.0
146.06158	3.9
147.02856	2.1
149.04553	2.6
154.06706	1.8
158.06129	15.1
159.03264	1.9
160.04073	10.0
161.04568	7.6
162.05623	4.2
170.06123	5.0
172.04039	5.1
172.07678	1.9
174.05626	8.2
186.05652	6.4
188.03545	4.4
188.07130	6.4
198.05618	3.8
200.03542	1.5
200.07175	1.7
216.06667	26.9
218.04611	2.5
218.08315	2.4
228.06670	4.6
240.06650	2.1
288.08936	1.4
293.08807	23.2
306.09882	2.4
308.07742	12.0
348.10934	14.9
350.08759	2.2
438.14117	5.5
440.12024	59.4
441.12329	3.7
479.74918	1.3
482.13046	8.1
500.14130	32.7
501.13980	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	500.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	67.4
61.98832	8.5
69.24115	14.7
71.01392	40.4
71.90611	3.1
73.02954	5.8
77.91224	2.9
79.05511	5.3
85.02962	6.3
85.06612	8.6
89.02451	39.1
93.03468	5.9
96.72662	2.9
97.02960	7.8
98.21886	7.4
99.00869	7.0
101.02486	6.2
102.05669	3.4
113.02438	5.2
113.06059	3.7
123.04543	100.0
125.02455	23.0
127.05194	3.6
128.03510	6.2
131.03558	5.6
133.02971	9.4
135.04506	8.9
136.04877	3.5
139.03996	3.8
148.05368	19.1
149.04579	9.0
157.08672	3.2
161.04602	4.2
163.07669	9.1
177.01933	6.1
179.03427	7.5
179.10835	6.8
180.03801	4.7
181.05107	5.8
181.12352	6.2
191.05652	18.9
200.43356	3.3
225.11345	23.3
227.03543	4.3
233.06659	14.4
285.03961	4.5
293.08865	32.1
338.20505	5.3
351.06943	3.9
368.17142	4.3
371.09918	3.6
372.18005	3.0
500.27893	6.1
501.16110	6.0
501.32172	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	500.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	85.6
69.03455	4.0
69.39184	10.0
71.01392	33.8
73.02957	17.3
80.01510	2.1
81.03472	3.0
83.01395	3.5
85.02953	13.9
87.00916	2.3
89.02441	24.7
97.02956	7.6
98.22640	4.2
101.02464	35.4
103.04029	31.2
104.67372	2.0
119.03512	15.5
125.02466	34.4
127.04005	3.3
132.04570	100.0
143.03526	2.3
145.05052	9.1
163.06133	38.3
193.05006	2.2
247.08253	6.7
261.84546	2.2
289.09198	3.5
307.10403	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56810	1.3
58.33988	1.3
59.01380	4.4
59.76287	1.2
61.98830	2.1
70.81297	2.4
71.01380	1.9
78.04449	1.8
85.06608	12.3
89.02445	4.2
101.02426	2.0
113.02478	1.6
113.06099	1.6
115.04034	2.5
119.05029	3.8
121.02975	83.4
148.04060	100.0
149.04430	2.4
152.48932	1.3
157.05109	2.4
163.03954	1.5
180.06581	1.6
189.07713	3.1
191.05556	1.7
202.05113	2.6
456.13959	3.6
509.59235	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	500.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.1
61.98830	0.8
67.25678	0.3
67.83047	0.3
70.54027	0.5
71.01393	1.6
73.02943	0.5
79.01810	0.4
85.02944	1.1
89.02480	0.5
93.03505	0.4
93.47874	0.4
101.02462	1.0
103.04021	0.6
125.02454	0.9
126.90675	0.5
128.03548	0.5
132.04567	100.0
133.04901	2.6
163.06161	0.8
191.05626	2.6
234.37048	0.5
307.10434	0.9
308.05786	0.5
343.56317	0.5
352.82605	0.4
361.79712	0.5
440.16132	0.7
440.22263	0.5
444.32388	0.4
500.27246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72920	2.0
57.23852	2.0
58.54222	2.5
59.01382	84.4
61.98830	9.1
69.03463	5.4
69.32935	10.3
71.01386	40.1
72.99320	2.8
73.02959	19.8
78.95915	15.3
81.03468	2.6
83.01385	4.5
85.02946	16.0
87.00877	3.5
89.02451	27.5
93.03458	2.0
96.95967	3.7
96.96965	4.3
97.02965	7.0
98.21852	4.6
99.00912	2.3
101.02453	33.2
103.04024	29.0
109.03009	2.8
112.15411	2.2
113.02484	3.5
119.03526	12.7
119.52655	1.9
125.02455	28.6
127.04000	3.4
132.04567	100.0
133.02979	3.6
134.03729	2.3
138.52409	2.3
143.03496	4.1
145.05167	3.3
161.02435	2.7
163.06149	29.3
177.01909	13.1
179.03508	2.4
191.05705	11.1
193.05112	4.2
205.07179	2.4
237.97415	2.2
244.05612	2.4
247.08246	11.1
276.48285	2.0
289.09332	2.4
307.10425	32.9
357.08691	4.6
394.43622	2.2
501.13043	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	501.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71961	0.6
59.01386	85.9
62.55615	0.4
64.87758	0.5
69.77285	1.7
111.27920	0.5
113.25676	0.6
125.96336	0.6
132.98241	1.3
134.97075	0.5
137.36241	0.6
157.03549	3.6
159.01530	1.2
170.63416	0.5
174.99261	23.2
175.99564	0.5
201.02570	34.0
202.02756	1.7
217.00322	100.0
218.00665	2.1
276.98154	0.5
292.96854	0.9
343.03714	3.0
359.01498	60.3
360.01779	4.3
382.51636	0.6
406.82751	0.5
463.01044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	85.7
61.98837	58.5
67.13331	1.1
70.03270	2.0
70.03600	1.7
71.01378	2.8
83.01411	1.3
85.01478	1.4
89.05957	0.9
90.97193	1.0
91.49271	0.9
95.40878	0.9
98.99410	2.6
99.99488	1.0
100.99154	1.2
101.00929	2.2
102.98875	1.6
103.00709	0.9
112.06148	0.9
115.04041	1.3
117.00451	3.8
119.00166	1.7
121.72736	1.2
125.00962	1.8
126.01090	1.1
126.98932	1.0
127.00657	1.5
128.98599	1.0
132.22713	1.1
132.98253	1.5
138.78409	1.0
141.00449	14.4
142.00531	2.4
143.00153	5.5
146.99722	0.9
150.55582	1.0
153.00453	3.0
155.00201	2.0
155.01955	0.9
157.03558	3.9
158.98238	1.4
159.01495	2.6
167.02034	1.4
168.99991	1.3
171.01541	2.1
172.65405	1.1
174.99239	25.6
175.00667	1.8
180.98445	1.6
181.00209	1.0
181.98573	1.4
182.98189	8.4
183.01587	1.2
185.01248	1.2
195.01532	1.4
197.01543	1.1
197.03040	5.3
198.03296	1.0
198.99384	1.3
199.02902	1.9
199.04645	1.0
200.99394	1.3
201.02576	33.8
201.04338	1.3
217.00313	100.0
218.00635	2.8
222.99498	4.5
223.99631	6.4
224.99257	28.0
225.99451	1.4
234.40094	0.9
241.00478	1.8
243.00348	6.4
248.99202	1.8
267.00400	2.4
267.03394	1.2
269.01605	1.3
283.01596	8.8
284.01801	5.9
284.98032	2.4
285.01434	37.4
286.01584	1.6
299.02841	1.0
303.02698	1.7
309.01401	1.5
315.02539	1.1
341.04254	2.2
343.03574	3.8
345.03687	3.0
359.01483	54.6
360.01630	3.5
362.04926	1.2
363.04620	4.7
441.05423	2.4
459.06848	22.9
460.06952	1.8
501.08105	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	501.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.8
61.98840	3.1
71.01389	6.0
73.02982	1.9
74.22272	1.7
80.09958	1.6
83.01411	3.0
89.02449	4.8
95.35965	1.5
96.96011	2.5
97.02966	1.8
98.21894	3.8
99.00924	1.4
101.02507	1.8
102.05605	2.6
108.02149	8.1
109.02962	17.8
113.02470	2.7
119.40540	1.6
121.02972	5.6
122.03738	1.6
123.04530	19.6
125.02464	2.7
127.05140	2.9
128.03513	2.4
128.90215	1.5
133.02991	4.0
134.03773	3.7
136.01692	7.2
145.02988	2.6
145.06273	3.4
145.59888	1.8
147.04555	2.0
149.02444	2.5
151.04037	18.3
152.04376	1.5
159.04556	2.2
160.01715	4.4
161.02463	3.8
161.06021	1.8
162.03197	2.2
167.07091	3.3
175.04024	4.1
176.04758	1.6
177.01927	29.6
187.03975	4.3
188.04843	2.4
189.01924	29.0
190.02747	11.0
191.03584	7.3
191.05490	1.7
203.03601	3.3
216.00655	9.1
216.99580	2.6
217.01450	21.4
218.02176	2.6
219.03029	12.3
229.08919	1.6
231.02940	9.7
268.03769	2.0
269.04617	3.2
271.06177	7.4
281.04620	9.4
281.37744	1.5
289.07178	3.6
297.07672	5.2
301.07230	3.4
308.80777	1.6
313.07315	3.0
341.06665	100.0
342.07013	4.9
355.08261	7.5
357.13513	10.0
386.88431	1.8
427.29526	1.5
465.11966	76.3
466.12131	6.8
501.32233	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	501.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73861	0.2
55.08360	0.2
59.01389	1.6
61.98818	0.5
69.03429	0.2
69.69125	0.7
69.69530	0.4
71.01374	0.7
72.99283	0.2
74.77818	0.2
77.03967	0.3
77.06812	0.2
77.18243	0.2
79.67702	0.2
80.75318	0.2
81.03485	0.5
85.02979	0.3
87.00906	0.3
89.02428	0.5
89.03986	1.6
93.03445	0.2
95.05007	0.3
99.04539	0.4
101.02436	0.4
104.02682	0.3
105.03471	3.0
112.98832	0.3
113.02460	0.3
119.03460	0.3
121.02944	0.3
123.04515	0.3
130.08728	0.6
131.09085	0.2
132.02187	0.2
133.01445	0.4
133.02966	9.5
134.03734	0.6
135.04546	2.3
135.05530	0.3
136.01669	0.3
137.02443	0.2
148.01663	0.4
149.02444	1.2
149.06154	0.3
151.04018	0.5
159.04515	0.2
161.02457	4.8
161.36172	0.2
162.02953	0.4
175.04063	0.4
176.01170	1.0
177.01938	100.0
178.02289	3.4
179.03526	0.8
179.10789	0.9
193.05061	0.3
223.09763	0.9
225.11349	0.2
233.04646	0.4
243.06612	0.5
293.08545	0.2
303.12479	0.8
307.04715	0.4
323.07675	2.4
339.07211	19.5
340.07559	1.1
357.13431	0.2
385.14462	0.3
463.21970	0.4
501.10306	5.8
501.25726	0.4
501.32028	1.0
502.10962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42659	0.9
69.62503	3.8
70.82401	1.0
83.05061	1.3
89.74207	0.9
104.02701	1.0
109.80997	1.0
127.04120	1.4
127.09460	0.9
128.04378	1.0
133.03017	0.9
145.02979	1.7
148.01649	1.3
158.84743	6.0
159.00867	3.2
161.02484	1.6
173.06084	0.9
176.01323	1.2
177.01930	2.1
189.01915	6.2
190.02763	3.6
201.01811	0.9
201.05673	1.3
209.87106	0.8
211.07838	1.1
229.05034	2.8
233.01274	1.8
242.05833	1.9
251.07144	0.9
255.06758	1.0
257.08237	1.7
263.99411	0.9
267.03644	0.8
267.06601	2.0
269.08228	13.0
270.09033	1.2
274.98801	1.9
277.00247	2.3
285.11343	1.9
286.98782	1.4
296.00571	0.8
307.01279	11.3
309.04501	2.5
311.12933	7.1
313.10861	5.2
319.98477	5.5
325.03842	2.3
327.12424	2.0
328.13184	13.0
341.03659	1.3
343.15530	16.5
349.03546	1.0
351.05533	8.1
353.03412	1.2
355.05167	1.2
365.03262	1.1
365.07294	2.1
366.04346	1.1
367.05035	4.6
369.06384	2.4
381.06635	2.3
401.09198	2.1
410.06372	1.2
411.07788	5.5
425.09293	3.5
426.09970	5.4
441.12320	100.0
442.12650	5.6
501.04877	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.9
121.02980	0.9
127.03997	0.9
145.02930	1.3
156.90372	1.2
158.84604	2.7
159.00818	1.9
161.02457	1.6
171.08176	1.2
189.01956	1.4
190.02657	2.2
199.07643	1.3
203.03413	1.5
229.05249	1.1
243.06631	26.2
244.07141	1.1
256.07428	1.4
257.08151	2.9
258.99301	1.8
263.02316	2.9
277.00241	2.9
281.01297	1.4
286.98755	4.8
287.02148	1.8
287.99539	2.5
291.01816	2.2
295.99924	1.3
297.04477	2.9
299.02350	3.4
302.01068	1.0
307.01273	6.9
311.12881	3.1
313.03772	1.2
314.01053	1.1
319.98492	23.6
321.02969	9.7
323.02231	3.0
328.02646	1.9
328.13135	12.9
329.03467	1.9
335.00998	1.9
341.03430	20.2
342.04108	2.7
343.15515	15.2
355.04868	3.9
357.06708	1.8
389.09012	2.0
441.12323	100.0
442.12643	7.7
485.11679	2.5
501.32370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
59.01379	6.9
60.98774	0.6
65.00314	0.5
69.52465	1.9
69.79192	0.5
71.01362	0.7
81.03455	5.7
83.01387	2.3
85.06593	1.2
93.03464	0.6
95.05051	1.2
111.00956	0.8
113.02467	0.6
113.06084	3.9
115.03998	2.2
121.02973	1.6
123.04529	40.2
124.01563	0.7
124.04875	0.8
125.02430	3.9
126.49133	0.6
135.04558	0.7
136.01682	6.7
137.02438	1.2
139.03987	2.0
149.02487	1.0
151.00343	1.5
151.04013	7.8
163.04071	1.2
166.02713	4.8
167.03499	100.0
168.03819	2.4
175.00389	1.2
179.03520	0.9
181.05067	31.1
182.05386	1.1
191.03502	27.5
192.03871	0.9
207.89514	0.6
209.04539	8.1
221.04543	1.6
306.38855	0.5
329.08688	1.3
343.10251	0.7
357.13449	6.2
358.13879	0.8
371.09888	6.4
380.48798	0.6
483.15161	1.2
501.16751	1.3
501.32681	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01474	0.7
59.01379	1.7
69.36091	0.6
69.36383	3.5
71.01383	0.9
71.60072	0.7
80.45673	0.7
85.06589	0.8
89.02420	0.8
108.02181	28.2
108.02920	1.5
113.06084	3.2
115.04006	1.0
123.04524	11.5
123.67094	0.6
127.05113	0.9
139.04022	1.8
140.28232	0.8
145.06212	1.1
151.00415	1.1
152.01163	51.6
153.01558	1.0
166.02724	2.2
167.03503	100.0
168.03842	2.6
181.05072	5.2
286.37677	0.7
297.03702	0.7
378.74820	0.8
394.64978	0.8
424.76910	0.8
449.25327	0.8
501.31891	2.6
516.06567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.0
59.01385	93.8
61.98836	6.9
69.03440	2.1
69.21272	4.1
69.21678	6.9
71.01389	80.6
71.01791	4.0
72.99314	2.6
73.02955	22.1
74.65855	1.5
77.06924	1.6
83.01402	2.7
83.05018	1.9
85.02963	11.3
87.00893	2.6
87.04488	2.7
89.02454	87.9
95.01424	1.8
97.02975	3.4
99.00895	21.0
101.02451	41.0
105.25971	2.0
111.04601	1.9
113.02461	22.9
115.00393	20.5
115.43164	1.6
119.03529	7.3
123.04565	3.1
125.02471	3.2
125.06157	2.3
127.05144	4.1
128.03635	1.8
131.03506	13.9
133.03008	3.4
134.21861	1.8
135.04547	2.6
135.11848	13.7
143.03500	4.0
145.06252	2.2
149.04584	47.9
159.08109	2.0
159.11816	2.9
161.02454	2.3
161.04576	7.9
161.09753	11.9
163.11357	2.0
177.01938	2.2
177.12895	3.5
179.03610	1.8
179.10803	97.4
180.11105	2.5
185.76028	1.7
191.05658	17.6
193.12291	3.0
203.10825	5.6
205.08734	2.3
209.68007	1.8
221.11874	8.3
223.09779	100.0
224.10178	6.1
251.07677	2.2
265.08298	1.9
265.10730	9.7
274.56635	1.7
293.08618	2.5
325.12900	5.3
369.22723	3.2
385.15042	19.2
465.23282	2.5
480.86554	1.9
501.18912	2.0
501.24475	2.4
501.31976	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	501.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55357	0.6
59.01386	3.8
71.01389	2.5
73.02953	0.7
74.55223	0.7
82.95422	1.0
85.06599	1.6
89.02472	1.6
93.03452	0.7
101.02466	1.4
108.02185	29.5
113.06115	3.9
115.04017	1.3
123.04543	13.4
127.05185	0.7
139.04010	2.9
145.06233	1.9
152.01169	52.0
153.01466	1.0
166.02699	2.8
167.03511	100.0
168.03862	2.6
173.04616	0.9
173.70979	0.7
177.01942	1.0
181.05106	5.1
191.05618	2.5
501.31903	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35473	4.8
59.01385	42.0
60.95171	4.4
71.01385	100.0
71.41669	5.0
73.02942	12.0
73.15103	5.4
85.02982	12.4
87.00879	9.6
89.02451	22.4
100.34617	4.4
101.02464	17.5
111.27126	5.0
111.86511	4.6
115.04023	9.2
131.03539	10.6
132.04564	6.8
133.05054	39.9
159.06689	5.8
161.04599	10.5
177.02005	8.5
187.06151	28.3
191.05623	14.9
235.39537	5.1
286.12427	5.4
381.13986	43.6
409.13486	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93392	0.7
57.03441	3.0
58.00587	0.9
59.01387	72.4
59.06742	0.7
61.98835	10.2
69.03457	4.4
69.05132	3.9
69.05556	1.2
71.01019	1.4
71.01390	18.0
72.99326	0.9
73.02938	2.1
74.02458	0.8
81.46235	0.7
83.01392	1.9
83.05051	1.1
85.02975	6.0
87.00871	1.7
87.04514	1.5
89.01937	1.2
89.02460	16.1
95.01351	1.8
95.49481	0.7
96.96042	1.3
98.21900	1.8
99.00870	1.2
99.04534	0.9
101.02460	11.2
109.02972	0.9
111.04512	0.9
113.02474	12.0
115.04021	1.3
116.92907	0.7
119.03520	6.4
121.02881	0.7
123.04546	0.9
125.02456	1.2
128.03531	1.3
130.08745	1.5
131.03522	9.7
135.04492	1.9
149.04561	1.7
160.04091	1.3
161.04565	1.3
163.11343	5.0
179.05704	1.0
185.06076	1.5
191.05658	6.1
193.05057	1.0
198.65268	0.9
207.10275	11.7
225.11482	0.9
225.72002	0.8
265.05115	1.2
266.05768	0.8
275.07642	1.1
293.08685	2.0
335.09793	1.2
354.20416	1.2
369.15564	1.7
387.16635	100.0
388.16843	4.5
441.22308	2.5
466.60199	0.8
501.19769	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	501.319
Annotation	GW 7647
Peak:m/z	Relative Intensity
57.03455	3.4
58.02994	0.8
59.01384	13.2
61.98836	3.5
62.63328	0.5
71.01392	3.4
71.05025	0.8
72.04572	0.7
73.02955	1.7
74.02483	1.4
75.00881	0.7
82.03001	2.6
82.95421	1.0
83.06158	0.9
84.04564	2.1
85.02962	1.1
85.06593	0.7
85.23946	0.7
87.00849	0.8
89.02465	2.6
101.02480	1.7
101.07204	1.0
102.05624	1.2
109.02979	0.8
109.04076	5.8
113.02472	1.3
116.92924	0.7
125.02500	0.7
125.09725	2.4
127.05151	33.8
127.11298	1.1
128.03555	11.0
133.02957	2.4
134.03293	0.9
135.04552	0.8
137.09689	0.9
139.08760	1.0
142.12383	3.6
145.06209	8.4
146.04568	1.2
149.04559	0.7
151.07600	0.7
152.10823	1.7
153.01938	0.8
153.09225	0.7
155.10809	1.7
161.02448	0.9
162.02864	0.6
164.58775	0.6
170.11874	3.2
179.03506	1.4
179.11955	0.9
183.64000	0.8
191.05641	0.8
209.16637	1.2
219.14955	0.9
223.18275	0.8
227.03508	1.3
232.59734	0.6
237.16104	15.0
238.16422	0.8
251.17657	1.1
254.73224	0.8
255.03038	2.4
255.17024	3.0
283.02542	1.2
284.03238	1.0
285.03918	2.7
286.04578	1.1
324.19604	0.6
355.24973	1.1
369.22983	1.0
373.26187	1.0
376.07913	0.9
376.58292	1.6
405.24084	0.7
473.10599	0.7
474.11554	1.0
483.30930	4.2
484.30923	0.7
501.31891	100.0
502.32083	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	501.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22831	0.3
50.41201	0.3
57.03456	3.0
58.02984	0.5
59.01385	11.2
61.98843	1.9
66.03483	0.4
69.03463	0.8
71.01391	7.6
72.04549	1.1
72.99321	0.4
73.02952	2.9
74.02464	0.8
82.02990	2.7
83.01424	0.4
83.05032	0.6
83.06146	1.0
84.04568	2.0
85.02959	1.2
87.00885	0.9
87.04546	0.3
89.02452	7.6
91.53954	0.3
93.03470	0.7
97.02976	0.6
97.06604	0.7
99.00914	1.7
100.07689	0.5
101.02455	3.8
101.07223	0.9
102.05607	0.7
109.04092	6.6
110.02514	0.5
110.03304	0.3
111.08171	0.5
113.02503	1.6
119.03526	0.9
123.04530	1.5
123.08178	0.9
125.02462	1.4
125.03557	0.5
125.09734	1.3
127.05153	35.7
127.11318	0.6
128.03555	11.7
128.05527	0.6
131.03528	1.1
135.04568	0.6
137.09732	1.1
139.08846	0.9
139.11296	1.3
142.12411	3.0
143.04637	1.3
145.06203	9.5
146.04614	0.9
149.04567	3.5
151.04034	0.5
152.10826	1.5
155.10765	0.6
156.13904	1.8
161.02451	0.4
161.04539	0.7
163.04008	0.4
170.11943	2.2
179.03473	0.6
179.10645	0.6
181.12375	0.6
183.10220	1.8
184.13405	0.8
191.05679	1.6
199.13396	0.6
207.13739	0.5
209.16545	0.8
219.15123	0.5
225.11401	0.9
227.03752	0.4
230.15404	0.8
233.06726	1.0
233.16772	0.5
237.16095	12.4
237.18475	0.6
238.16420	0.8
241.15968	0.8
243.12389	5.2
251.17635	3.4
255.17197	2.1
269.18866	0.8
284.17456	0.5
285.13470	1.3
293.08847	1.6
298.19016	0.4
315.14413	0.7
345.15543	2.0
355.25009	0.7
369.18808	0.4
369.23010	3.6
373.25986	1.2
405.17712	1.1
439.31717	0.7
483.30765	6.4
484.30908	0.4
501.31918	100.0
502.32220	8.7
508.77399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3226
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
50.75369	0.9
57.72198	0.8
61.98818	1.6
70.95133	1.5
73.65923	0.9
243.06592	2.1
281.48459	1.0
343.15811	1.0
357.71136	0.9
425.30615	7.1
427.32153	17.9
428.32401	1.1
440.97314	1.3
441.12390	5.4
457.29401	1.1
471.31180	76.5
472.31433	6.3
501.32288	100.0
502.32687	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	501.3228
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
61.98819	0.8
62.33394	0.6
68.00981	0.6
71.41911	0.6
71.42774	0.8
71.65863	0.6
76.99529	0.6
160.84203	0.6
214.23668	0.6
252.82501	0.7
377.15860	0.6
410.38458	0.5
455.31586	0.9
457.33350	6.7
458.33264	0.6
501.32272	100.0
502.32611	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	502.1875
Annotation	Dehydrohernandaline
Peak:m/z	Relative Intensity
53.24013	0.8
59.01384	1.3
61.98810	0.8
78.95914	4.4
98.22682	2.0
101.87745	0.8
131.79776	1.0
148.04036	0.9
189.04276	1.6
190.05153	1.9
229.01416	2.7
229.03722	1.6
236.47281	0.9
242.08095	2.7
243.06596	2.6
277.21741	76.7
278.22101	2.9
292.06244	0.8
306.07544	1.1
313.14514	1.7
314.08282	3.3
315.08914	1.0
324.04840	0.9
334.07251	1.1
336.05368	1.1
337.05798	1.0
348.05081	1.2
350.06702	0.8
353.13974	2.7
356.09229	2.4
359.07904	3.9
364.04691	3.2
370.10745	1.9
372.08646	2.6
373.09406	5.1
374.10226	4.6
377.05280	1.7
378.06107	1.2
388.11914	17.3
391.10291	1.2
392.11612	1.3
396.09155	1.3
398.10306	8.2
412.08224	1.0
414.09818	8.0
415.10269	1.3
416.11423	2.9
418.09262	1.7
432.10797	7.8
460.17780	2.9
502.18750	100.0
502.29007	4.3
503.19025	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	502.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16257	2.8
55.15326	2.5
57.03445	7.5
59.01384	46.9
61.98825	20.7
68.03216	2.5
69.03466	7.2
71.01383	19.2
71.05011	3.0
73.02956	6.2
73.63469	2.5
74.62548	2.6
78.21376	2.8
81.78288	2.6
82.92540	2.4
85.02946	9.1
87.00888	3.2
89.02447	20.3
98.22648	9.5
101.02451	10.3
102.05685	3.0
109.02983	5.3
113.02460	6.7
119.03510	9.2
125.02489	6.9
127.05169	10.4
128.03542	8.0
133.02939	5.6
135.04521	9.4
137.02499	2.8
139.11305	21.8
139.87698	2.7
145.06244	20.1
146.06549	3.5
146.67337	2.5
161.02446	16.0
161.04544	3.6
163.04015	3.9
165.05589	5.9
177.01921	4.9
179.03461	3.4
179.05643	10.5
183.10295	100.0
184.10623	5.8
191.05573	3.6
197.11842	4.7
198.12199	5.6
225.11243	3.8
226.11676	5.6
233.75156	2.7
268.03888	3.3
269.04520	6.7
296.18835	3.0
349.11304	2.8
501.31863	11.2
502.32120	19.4
503.13773	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	502.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37182	1.0
59.60450	0.9
61.98835	100.0
62.74535	1.0
68.62960	0.9
69.39648	3.8
81.13308	1.0
142.65440	1.1
159.12851	1.0
305.24911	2.3
315.87439	1.0
361.29739	1.0
463.87354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93642	1.5
61.98835	100.0
87.15060	1.4
96.07090	1.5
152.60168	1.5
173.13771	1.5
295.77393	1.4
305.24893	4.1
315.38245	1.6
360.16632	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	502.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.7
59.01083	2.1
59.01385	44.1
60.01698	1.8
61.01778	0.9
61.98837	6.1
66.91812	1.0
71.01390	10.7
73.02943	3.0
74.02479	2.1
74.99300	0.9
75.00879	1.0
83.01392	1.6
84.04561	4.1
85.02956	4.4
86.09078	1.0
87.00876	2.8
87.04531	1.2
89.02448	7.3
93.03442	1.5
95.01391	1.6
97.02978	1.0
97.06545	1.6
98.22665	1.3
99.00924	1.2
100.49931	1.1
101.02444	7.2
102.05611	18.0
111.08163	1.1
113.02470	3.8
114.09259	1.2
119.03509	1.4
121.03017	0.9
123.08156	1.9
125.02461	2.2
125.09697	1.9
127.05165	1.6
127.11291	1.6
128.03551	34.8
130.08757	1.0
131.03493	1.3
133.03026	1.1
135.04555	3.8
137.06052	2.6
137.09674	1.7
139.11267	1.1
143.03500	1.0
145.06187	1.3
146.04594	2.7
148.85521	0.9
149.00862	0.9
149.04552	1.7
155.10774	2.6
160.04004	0.9
160.68968	0.8
161.02525	2.4
161.04611	1.2
171.10284	2.4
173.04588	1.1
177.01976	1.9
179.03587	1.9
184.17015	1.2
185.11871	2.3
191.05609	2.7
197.71109	0.9
199.09785	0.9
212.16582	1.5
225.14844	0.9
355.24854	3.5
367.73755	1.0
371.24368	8.8
373.25967	48.5
374.26370	3.0
458.31387	6.9
484.29065	6.3
502.30313	100.0
503.19080	3.0
503.25366	2.2
503.30954	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	502.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12210	0.4
57.03448	3.4
59.01380	7.2
60.92053	0.4
61.98835	8.8
69.03442	0.9
69.99338	0.9
71.01392	2.6
71.05003	0.9
73.02920	1.0
74.02473	1.2
83.05006	0.5
84.04559	3.8
85.02964	1.2
87.00883	0.7
89.02429	2.1
91.31507	0.4
97.06595	0.5
101.02463	2.1
102.04927	0.8
102.05614	15.5
113.02439	0.9
114.09250	1.0
123.08168	1.6
125.09722	1.7
127.11285	1.3
128.03551	34.6
129.03841	0.6
131.03511	0.6
135.04527	1.5
137.09714	2.2
139.11281	0.8
141.09282	0.5
146.04607	3.5
149.04533	1.0
153.09253	0.5
153.12881	0.5
155.10797	2.0
171.10271	3.4
179.03435	0.9
181.12340	0.5
184.17053	1.6
185.11836	1.5
191.05627	1.2
198.18605	0.8
201.14900	0.5
212.16562	1.4
217.16002	0.8
218.22868	0.5
226.18329	0.5
229.14503	0.6
230.15288	0.8
261.18588	0.9
281.61838	0.4
326.11023	0.5
327.21890	1.0
340.04965	0.5
355.24927	3.2
370.23392	0.5
371.24365	1.9
373.25955	44.4
374.26297	3.0
458.31216	7.7
484.29343	5.0
485.29996	0.9
502.30280	100.0
503.25168	0.6
503.30774	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.01388	18.8
61.98830	2.5
63.52720	1.6
65.00337	3.1
67.01887	4.0
69.03469	1.8
71.01373	7.9
71.01762	1.7
71.18583	1.4
71.45354	1.7
72.99326	1.9
75.00865	4.5
79.95702	1.7
81.03454	2.0
85.02966	3.3
87.00878	24.5
89.02436	9.2
90.93582	1.9
91.01891	5.5
93.03473	24.7
101.02431	4.0
103.00390	2.4
108.02192	6.6
109.02962	100.0
111.04533	3.5
112.98806	6.7
113.02436	5.2
121.02957	4.8
123.04528	3.7
126.96871	1.6
130.99870	4.3
133.02988	11.9
134.03752	7.5
135.04543	55.0
137.02425	2.1
146.03763	33.7
147.04491	6.4
149.00926	20.0
149.02478	4.4
158.02498	3.1
158.03760	54.6
159.04536	34.8
161.02481	27.3
161.06108	4.8
173.04568	13.9
173.06094	37.3
177.02043	3.0
179.03510	52.9
179.05608	16.6
191.05652	50.7
203.03525	8.2
223.07622	2.5
229.01350	2.1
239.07114	2.5
251.07236	2.1
266.05930	17.5
267.06644	62.7
268.07385	19.6
279.06793	3.1
281.08087	6.5
283.09799	42.6
284.09845	2.2
293.04507	2.3
323.07916	2.6
327.08762	59.2
328.08890	5.5
329.06656	6.9
341.09720	6.4
353.09961	8.0
465.23215	3.1
503.11957	15.5
503.20175	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	503.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
59.01387	23.1
61.98832	12.1
65.00326	3.0
69.03453	1.3
69.30325	6.6
71.01385	17.7
71.05045	1.0
72.99306	4.5
73.02956	5.1
75.00861	1.9
79.56463	1.1
81.91648	1.1
83.05020	1.5
85.02947	6.0
87.00883	23.5
89.02465	12.3
91.01898	7.3
93.03455	5.1
101.02462	9.8
103.04012	4.9
105.01917	2.1
108.02170	4.6
109.02964	100.0
112.98813	1.8
113.02451	5.0
115.04027	2.1
116.92896	1.6
118.06535	1.0
119.03540	2.6
121.02985	4.0
123.04545	1.3
125.02483	2.8
130.99873	3.6
131.03493	4.4
133.02979	4.3
134.03741	3.7
135.04546	15.0
135.54971	1.1
137.02460	1.7
145.02985	5.4
146.03758	36.5
147.04550	3.1
149.00917	16.0
149.04543	6.2
151.00333	1.8
151.03986	1.5
158.03746	58.8
159.04544	45.2
160.05051	1.3
161.02463	8.4
161.04599	1.6
161.06096	6.1
165.04102	2.0
168.00778	1.5
173.04640	3.4
173.06073	38.3
174.06425	2.8
177.01939	2.3
179.03529	9.7
179.05669	1.8
179.10802	3.0
191.05598	12.0
221.06166	1.2
223.09735	2.3
225.14839	1.2
237.05605	1.5
239.07133	1.3
250.06328	2.4
251.07233	1.6
251.17995	1.2
265.04990	2.3
265.67038	1.3
266.05865	22.8
267.06644	76.9
268.07376	22.9
281.08313	7.3
282.08771	1.2
283.09778	47.6
284.09998	2.4
293.04532	1.7
303.13464	2.1
311.05634	2.8
323.07712	2.5
326.11444	1.5
327.08771	72.0
328.08978	3.9
329.06638	3.3
353.06790	3.6
355.11838	2.5
371.07672	3.6
371.13181	1.7
387.20029	2.7
389.17972	1.7
503.08539	3.2
503.19357	12.1
503.25546	2.0
522.61151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.7
62.37522	0.7
62.62287	0.7
63.35393	0.6
63.45958	0.8
71.01385	2.2
73.81808	0.9
85.02960	1.1
87.00887	6.1
89.02457	1.7
91.01900	1.4
93.03478	3.3
99.00912	0.8
101.02453	1.7
107.05016	1.4
108.02168	1.0
109.02965	22.1
111.04552	0.8
112.98808	1.4
117.03447	0.7
130.99847	1.2
133.02965	7.7
134.03780	4.9
135.04544	88.5
136.04861	2.1
145.02994	1.6
146.03749	8.2
149.00905	4.8
149.02420	0.6
149.06062	0.9
158.03743	11.5
159.04520	9.5
161.02473	19.0
161.06091	1.4
162.02901	1.0
165.04042	1.1
173.04547	2.3
173.06090	8.6
175.04044	1.2
177.05583	0.8
179.03516	100.0
180.03864	2.4
191.05589	6.7
203.03510	9.4
213.11385	0.9
253.32559	0.8
265.33118	0.7
266.05820	4.8
267.06653	14.1
268.07468	4.9
281.08154	0.9
283.06805	1.2
283.09750	10.0
323.07797	4.0
327.08768	14.5
328.09302	1.2
341.08813	4.1
382.07339	0.8
503.12302	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	503.1204
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
55.01887	3.0
57.03456	5.2
58.00585	1.1
59.01388	47.6
60.45124	0.5
60.99289	1.6
61.98845	3.7
67.01882	1.9
69.03448	2.1
69.64732	1.8
69.84176	0.5
71.01392	50.6
72.01694	0.5
72.04556	0.9
72.99316	1.3
73.02958	19.4
75.00859	1.5
81.03461	0.8
83.01405	7.5
83.05048	0.7
85.02960	20.2
85.10435	0.6
87.00887	8.3
89.02457	29.9
93.03471	19.7
95.01406	3.6
97.02955	2.9
99.00888	9.3
99.04525	1.2
101.02458	39.9
104.07069	0.5
107.05031	1.8
108.02187	0.7
109.02972	1.9
109.04084	0.6
110.40733	0.5
110.55224	0.5
111.00872	2.0
111.04546	2.5
113.02470	19.2
115.00400	0.7
115.04027	2.3
119.03534	3.9
121.02985	1.0
123.04530	0.7
125.02450	4.9
127.05143	2.7
128.03552	1.9
128.05450	0.5
129.01952	1.4
130.08752	4.9
131.03529	6.3
132.02214	0.5
133.02979	16.1
134.03783	4.9
135.04546	100.0
136.04865	2.5
137.02431	1.5
143.03493	2.5
145.06227	1.0
149.01074	0.6
149.02534	1.0
149.04572	12.9
149.05913	1.0
155.03487	1.3
155.10823	0.7
158.03702	0.7
159.03033	2.7
159.04318	0.5
161.02475	52.7
161.04526	17.2
162.02831	1.9
173.04573	11.3
173.06013	1.0
177.02019	0.9
177.05646	2.3
179.03519	74.7
180.03828	2.5
181.12399	1.1
191.05637	16.3
191.07333	1.1
194.05925	0.6
203.03572	1.6
208.72879	0.5
209.15488	4.0
215.05661	0.5
221.04501	2.6
223.09775	0.7
225.11331	6.2
233.06743	3.8
267.06726	0.9
280.05936	1.0
293.08786	2.5
323.07742	34.3
324.08185	0.9
329.06851	0.6
341.08841	7.5
341.12689	0.6
353.09106	1.6
371.20813	35.5
372.21484	1.4
502.27097	1.7
503.12436	28.4
503.25089	75.2
503.33267	6.4
504.12753	1.4
504.25507	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	503.1201
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.08332	0.4
57.88332	0.4
59.01386	1.9
61.98835	1.8
63.02423	0.5
65.00357	0.5
69.93605	1.2
71.01393	1.2
73.02971	0.5
81.87407	0.3
101.02450	0.7
107.01422	0.6
116.92924	0.4
149.02429	0.7
150.03229	0.4
151.00417	0.8
165.05624	0.5
175.03996	0.5
183.04474	0.6
200.15115	0.4
211.04106	0.5
227.03479	0.8
233.23470	0.4
255.03003	91.4
256.03311	3.9
266.34995	0.4
268.03784	1.2
269.04614	4.6
281.04623	0.4
283.02502	62.8
284.03159	9.7
285.03970	1.8
297.04041	11.5
297.11160	0.6
298.04819	13.5
299.05621	4.4
313.03610	2.5
315.00256	0.4
488.09641	20.3
489.09799	0.8
503.11975	100.0
504.12360	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	503.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69802	0.9
55.01890	1.1
57.03437	2.8
58.74770	0.9
59.01385	51.3
61.98826	3.7
66.25815	0.9
67.01901	2.3
69.03431	1.1
71.01390	29.2
71.43285	1.0
72.99323	1.4
73.02946	10.1
73.32055	0.8
81.03466	2.2
83.01386	2.6
85.02959	13.2
85.06596	1.5
87.00888	6.8
89.02453	21.0
90.89898	0.9
93.03467	12.6
95.01427	1.5
97.02954	2.6
99.00888	5.0
99.04520	1.6
100.58486	0.8
101.02444	15.5
102.05589	1.7
105.03513	0.9
108.02199	1.8
109.02950	3.2
111.00879	1.5
111.04570	1.5
113.02447	7.5
115.04011	1.9
119.03493	1.7
121.02928	2.6
121.25533	0.8
123.00922	1.8
123.04554	15.4
124.01661	4.3
124.04865	4.8
125.02471	19.2
125.03333	1.0
125.04945	2.5
127.04018	2.5
128.03558	2.9
131.03557	4.8
132.02206	1.8
133.02969	8.9
134.03717	3.0
135.04546	33.2
136.05269	1.9
137.02438	4.2
145.02946	1.6
145.06108	1.0
148.05339	3.0
149.00920	1.6
149.02469	2.5
149.04550	8.2
149.99579	5.4
150.03212	1.2
151.04016	3.3
159.04518	1.4
160.01671	5.4
161.02486	12.6
161.04547	5.4
168.00664	13.2
173.04633	4.5
173.33530	0.9
177.01901	4.6
178.02739	1.0
179.03499	13.1
180.03911	1.1
191.05629	100.0
192.05933	2.6
193.05016	6.7
233.06648	3.2
267.06622	3.7
280.10907	1.3
293.08762	9.2
295.85037	1.0
308.08972	3.4
309.14902	1.1
311.05606	4.8
313.05576	1.1
327.16089	1.7
329.14090	1.5
351.07239	3.9
352.07968	4.5
353.08823	12.5
371.15784	1.7
371.20203	5.1
371.24677	6.5
448.74506	1.1
502.29990	2.3
503.13351	28.8
503.24820	14.8
503.31186	0.8
504.14169	1.2
504.31494	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	503.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69147	0.6
51.84054	0.5
53.78702	0.5
56.92720	0.5
57.03437	0.7
59.01389	11.1
61.98830	1.6
67.01883	0.7
71.01385	5.6
73.02936	2.0
85.02956	7.3
87.00886	1.6
89.02452	4.1
93.03469	5.6
95.05038	0.6
99.00878	1.2
101.02460	4.0
109.02953	1.1
111.04496	1.6
113.02461	2.3
117.03449	1.3
119.03573	0.6
119.05042	4.3
120.41489	0.6
121.02975	1.9
123.04563	1.2
125.02396	0.8
126.12122	0.5
127.04028	1.5
127.05053	0.5
128.03510	0.8
131.03535	1.2
133.02956	1.8
133.06622	1.5
134.03755	1.0
135.04533	5.9
145.02953	6.9
149.02469	1.9
149.04539	1.3
151.04051	0.7
161.02460	5.6
161.04594	1.9
161.06093	3.1
162.03342	2.7
162.04524	0.8
163.04024	5.0
171.03165	0.5
173.04530	2.2
177.01859	0.6
177.05609	4.1
179.03505	3.5
179.05557	1.0
191.05630	100.0
192.06000	1.8
205.05069	3.4
234.09541	0.6
235.06148	3.1
241.82565	0.6
252.92770	0.7
265.07248	5.7
316.54541	0.6
353.08813	12.2
354.09143	0.7
371.20648	1.5
387.46262	0.5
502.31775	0.7
503.11780	2.9
503.20737	0.5
503.25452	4.1
503.31732	0.8
527.22870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.6
57.13307	0.6
59.01374	2.6
60.99286	0.5
61.98824	2.1
67.01903	2.7
69.03444	0.5
71.01398	1.0
73.14578	0.5
75.00869	2.1
77.69611	0.5
81.03460	0.7
83.05007	0.8
85.02953	6.6
87.00880	5.1
93.03468	16.4
99.04534	0.8
109.02955	1.5
111.04525	2.7
116.92872	3.6
117.01971	0.9
125.10355	0.5
127.04008	1.6
155.03566	1.0
157.67638	0.6
159.04533	0.9
173.04585	6.2
182.67296	0.6
191.05627	100.0
192.05965	2.6
193.06566	0.8
195.08125	1.1
205.06516	0.9
208.05261	1.1
210.03241	0.8
211.04007	6.9
221.06123	4.4
222.06766	0.8
223.07640	4.3
224.04840	1.0
225.05614	4.1
226.06326	3.4
239.07141	1.5
241.08723	4.2
249.05589	1.5
267.06683	7.3
276.40952	0.6
285.07648	2.1
311.05643	13.9
329.06589	5.1
499.65076	0.6
503.12033	25.5
504.12082	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.6
57.13307	0.6
59.01374	2.6
60.99286	0.5
61.98824	2.1
67.01903	2.7
69.03444	0.5
71.01398	1.0
73.14578	0.5
75.00869	2.1
77.69611	0.5
81.03460	0.7
83.05007	0.8
85.02953	6.6
87.00880	5.1
93.03468	16.4
99.04534	0.8
109.02955	1.5
111.04525	2.7
116.92872	3.6
117.01971	0.9
125.10355	0.5
127.04008	1.6
155.03566	1.0
157.67638	0.6
159.04533	0.9
173.04585	6.2
182.67296	0.6
191.05627	100.0
192.05965	2.6
193.06566	0.8
195.08125	1.1
205.06516	0.9
208.05261	1.1
210.03241	0.8
211.04007	6.9
221.06123	4.4
222.06766	0.8
223.07640	4.3
224.04840	1.0
225.05614	4.1
226.06326	3.4
239.07141	1.5
241.08723	4.2
249.05589	1.5
267.06683	7.3
276.40952	0.6
285.07648	2.1
311.05643	13.9
329.06589	5.1
499.65076	0.6
503.12033	25.5
504.12082	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.9
62.38945	0.6
69.45742	2.7
71.01390	6.0
73.02961	1.2
73.36743	0.6
75.00898	0.9
75.88840	0.5
85.02956	3.3
86.73914	0.5
87.00880	1.6
89.02442	3.8
93.03465	2.9
95.01373	1.3
98.22661	1.1
101.02448	3.7
105.03474	0.7
107.04987	0.7
109.02974	2.0
111.00858	1.1
113.02473	4.1
116.92854	0.8
117.03506	1.1
119.03517	1.2
120.13467	0.6
121.02917	0.7
131.03545	0.9
132.02168	1.3
133.02979	28.5
134.03754	2.3
135.04541	65.6
136.04858	1.2
137.02472	0.7
138.83046	0.7
147.04611	0.8
149.06114	1.8
159.04514	0.6
161.02463	100.0
162.02817	2.8
163.04033	1.0
165.05711	0.6
167.94177	0.5
173.04588	2.1
175.03998	1.0
177.01976	1.5
177.05569	2.0
178.02707	0.6
179.03525	46.2
180.03864	1.4
181.05125	0.9
181.65834	0.6
189.05606	1.3
191.05623	8.8
193.05049	1.2
203.03493	2.9
211.04102	0.8
211.06064	1.4
221.04539	3.2
233.04576	2.7
241.08807	1.0
245.04620	1.4
248.23663	0.7
251.05586	6.2
252.05946	0.7
260.33191	0.8
267.06720	1.0
270.20065	0.6
281.06555	2.0
305.06677	1.2
311.05289	1.0
323.07767	15.0
329.06686	1.1
341.08289	2.9
383.09900	2.1
413.11032	2.7
443.12064	2.0
503.14139	41.9
504.14545	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	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01389	8.8
69.03458	2.2
71.01389	9.1
73.02950	3.5
81.03499	1.6
83.01392	2.4
85.02969	3.2
85.06604	5.5
89.02457	6.7
95.01403	2.0
97.02975	3.6
99.00877	1.7
101.02460	6.0
107.01392	1.5
108.50903	0.6
109.02979	1.1
113.02460	3.4
115.04038	1.3
121.02875	0.7
123.00891	8.2
124.01682	20.4
125.02460	58.2
126.02809	0.9
131.03528	0.8
135.04590	1.0
137.02507	3.6
139.04050	0.8
143.03563	0.7
149.04581	1.7
149.99600	34.9
151.00281	2.1
161.02425	0.9
161.04556	2.1
167.03461	1.1
168.00664	56.0
169.01439	5.6
179.03534	0.9
191.05577	1.7
199.83972	0.7
209.15529	0.8
209.96272	0.7
227.04387	0.7
259.74899	0.6
277.26282	0.9
313.05707	5.1
316.23294	0.8
331.06699	2.7
345.08032	1.0
371.20718	6.2
373.07693	1.2
421.10623	0.7
432.38855	0.9
485.12997	1.5
503.14102	100.0
503.24893	13.8
504.14435	8.6
504.25662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76338	0.4
59.01383	3.9
66.17094	0.5
67.81560	0.4
67.93697	0.5
70.55067	0.9
71.01389	2.3
83.41991	0.4
85.02954	0.9
89.02456	2.0
101.02438	1.4
105.03456	0.7
109.02926	0.8
113.02472	0.8
117.03470	0.8
119.03528	0.5
124.63143	0.5
129.57703	0.5
132.02200	2.5
133.02969	20.4
134.03694	1.8
135.04535	39.6
136.04860	1.1
149.06091	1.7
160.01712	2.9
160.91783	0.4
161.02458	100.0
162.02803	2.8
175.03979	1.2
177.05554	3.5
179.03510	64.4
180.03908	1.8
203.03558	3.0
212.51709	0.4
215.91684	0.5
221.04538	2.9
251.05563	2.3
281.06741	1.8
323.07794	8.5
341.08792	64.0
342.09244	3.2
362.46533	0.5
383.09961	0.6
413.10846	1.1
443.12296	1.1
503.14111	12.9
522.79889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.9
61.98854	1.6
71.01403	1.1
73.02985	0.5
85.02943	0.7
87.00894	1.5
87.49961	0.4
89.02479	0.6
93.03483	2.5
101.02513	0.5
107.24979	0.4
109.02973	3.0
116.92892	0.7
121.02931	0.7
123.00893	0.8
124.01709	0.7
133.02950	0.7
134.03769	1.0
135.04567	2.3
137.02469	2.1
146.03732	1.0
147.04562	1.4
149.00967	1.2
151.04121	0.5
152.03580	7.1
152.04814	1.3
158.03732	1.5
159.04489	1.4
161.02464	1.0
161.04648	0.5
173.04620	0.6
173.06036	1.5
177.02017	0.7
179.03479	2.2
180.04294	82.1
181.04631	2.5
187.35429	0.4
191.05603	4.1
195.06631	100.0
196.06943	3.1
203.94084	0.5
213.14978	0.4
217.86557	0.4
266.05768	0.6
267.06604	2.2
268.07166	1.2
283.09763	1.7
285.03952	0.5
327.08734	3.7
329.06537	0.9
424.56418	0.5
503.18878	3.4
503.29721	0.5
527.88068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52600	0.7
55.07637	0.6
57.03479	0.7
59.01388	7.8
59.18776	0.7
60.01710	1.0
61.98832	1.2
70.06043	2.3
71.01395	1.7
81.87396	0.7
89.02435	1.5
101.02470	0.9
104.59341	0.8
105.65204	0.8
113.02459	1.5
122.42486	0.7
149.08275	0.7
156.61011	0.7
165.12860	24.5
166.13190	0.7
179.05617	0.7
181.12184	0.7
183.13913	88.3
184.14259	2.9
190.73405	0.9
193.59560	0.7
209.11833	0.9
210.60576	0.9
227.12906	100.0
228.13168	4.3
503.34375	0.9
507.44879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83095	0.2
55.01882	0.9
56.99840	0.3
57.03448	0.8
58.00592	1.5
59.01384	88.0
60.01721	0.3
61.42883	0.2
61.98825	1.4
65.00327	0.3
68.99804	0.2
69.03470	0.9
71.01386	53.3
72.01718	0.6
72.99316	1.8
73.02953	18.9
75.00864	0.4
81.03448	0.3
83.01373	1.2
85.02959	5.0
86.00073	0.3
87.00884	3.3
87.04520	0.5
89.02451	100.0
90.02800	0.8
91.01899	0.6
93.03474	0.4
95.01437	0.4
96.45132	0.2
96.54758	0.3
96.96024	0.5
97.02962	1.2
98.22730	0.4
99.00887	22.8
100.01237	0.2
101.02453	37.3
102.02797	0.4
109.02964	7.2
111.00938	0.3
111.04505	0.3
112.67474	0.2
112.98840	0.5
113.02460	8.5
114.02723	0.2
115.04035	0.5
119.03525	3.8
119.05025	0.3
121.02964	0.4
125.02452	3.8
130.99829	0.4
131.03513	23.1
133.02983	0.9
134.03787	0.3
135.04547	3.4
137.02419	0.3
143.03517	1.5
145.02953	0.3
146.03787	1.7
147.04524	1.0
149.00948	1.2
149.04567	63.0
150.04961	0.5
158.03738	3.2
159.04541	2.3
161.02423	0.7
161.04579	2.2
161.05946	0.4
161.09706	0.3
173.04596	0.6
173.06085	2.5
177.01993	0.4
178.02756	0.3
179.03500	2.6
179.05057	0.3
179.05594	0.3
179.10796	0.4
190.05074	1.1
191.05627	17.6
192.06032	0.6
194.48157	0.3
221.06618	1.6
223.09824	0.3
229.18387	0.3
250.06288	0.2
251.07745	2.7
266.05823	1.1
267.06628	4.6
268.07410	1.5
269.07907	0.4
275.07767	0.4
281.08624	0.5
283.09799	2.7
293.08762	0.5
303.17783	0.3
309.07639	0.2
311.09995	0.4
327.08737	3.6
329.06580	2.4
330.07086	0.3
338.08008	0.2
339.05164	0.3
341.10394	0.4
353.10275	0.6
371.11356	0.2
371.16791	0.3
371.24405	0.4
442.07596	0.2
503.11810	0.4
503.20004	0.4
503.26114	0.4
503.32938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
56.99823	0.4
57.03450	0.9
58.00596	1.4
59.01383	86.0
60.01722	0.5
61.98832	0.4
67.01891	2.0
69.03461	1.1
69.10605	2.3
71.01386	56.7
72.01737	0.6
72.99316	1.4
73.02950	21.3
74.50400	0.3
75.00868	0.4
81.03465	0.5
83.01403	2.1
85.02959	7.4
86.00140	0.3
87.00861	2.2
87.04480	0.4
89.02450	100.0
90.02786	0.8
93.03475	1.9
95.01414	0.7
97.02955	1.6
98.11632	0.3
98.22607	0.7
99.00888	28.7
100.01232	0.3
101.02451	37.3
111.00878	0.6
113.01715	0.6
113.02465	9.2
114.02852	0.3
115.03979	0.3
119.03511	5.6
119.14078	0.3
121.02977	0.4
125.02457	5.5
130.08714	0.7
131.03514	21.2
133.02962	0.5
135.04507	1.3
136.01630	0.7
143.03539	2.1
149.04565	70.5
150.04913	0.9
151.03996	0.7
154.63135	0.3
159.02945	0.4
161.02458	0.8
161.04594	4.3
161.05902	0.6
173.04549	1.2
179.03471	0.7
179.05611	1.4
189.05614	3.3
191.05624	18.6
192.06071	0.4
215.05467	0.4
221.06653	3.0
233.06572	0.7
251.07693	5.4
282.09140	0.5
293.08594	1.1
311.09598	1.0
326.11572	1.4
327.12360	0.6
341.13843	1.0
355.11829	0.4
371.20822	2.4
374.99448	0.3
454.90808	0.4
473.14401	0.7
488.17169	0.5
503.12747	0.5
503.18933	6.7
503.25073	9.9
504.19299	0.7
504.25943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.7
57.03448	5.3
58.00600	1.8
59.01383	100.0
60.01735	1.5
60.21266	0.8
60.99310	1.4
61.98836	3.5
67.01896	3.0
69.03462	3.2
71.01388	80.1
72.01733	2.0
72.99321	1.9
73.02950	18.2
75.00889	1.2
81.03471	2.0
83.01398	8.9
85.02950	22.9
85.06589	1.1
87.00881	11.0
89.02452	75.5
90.02787	1.5
92.05070	1.9
93.03462	22.8
93.04022	1.3
95.01371	3.9
95.05062	1.1
97.02975	4.6
98.21734	0.8
99.00883	7.2
101.02454	57.3
108.02196	0.9
109.03011	1.8
111.00885	4.1
111.04509	3.8
113.02460	22.5
115.00443	1.1
115.04034	3.0
119.03505	9.9
121.02973	1.9
123.00941	1.5
123.04557	2.2
124.01685	2.0
125.02458	18.4
127.05197	2.0
128.03592	0.8
128.49763	0.8
129.01961	1.5
130.00414	0.7
130.08786	1.7
131.03520	28.7
133.02948	4.0
134.03780	1.5
135.04550	7.9
136.04045	1.1
137.02473	2.3
137.09737	0.9
143.03481	5.8
149.00868	1.2
149.04570	41.0
149.06046	2.8
149.99585	2.1
150.03156	1.0
150.05003	1.1
159.03067	1.3
160.04094	3.3
161.02502	4.1
161.04546	11.6
168.00636	6.7
169.01465	2.4
173.04570	30.7
174.04909	0.9
177.01901	1.6
179.03555	5.3
179.05588	4.9
179.10797	1.9
187.06223	1.1
189.05592	2.1
191.05618	29.3
191.14395	1.1
193.74890	0.8
209.15555	1.5
215.05664	1.1
223.09880	0.9
225.11307	1.6
233.06728	4.3
267.06711	1.0
281.06644	0.9
283.13443	1.0
293.08853	3.8
315.10941	1.0
317.25729	0.7
327.16064	1.3
329.06714	2.2
341.09232	1.1
353.08789	2.2
371.20850	22.5
371.24640	4.2
372.21194	1.1
467.25082	3.9
503.13718	15.0
503.25189	59.3
503.33371	6.4
504.13379	1.1
504.24948	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	503.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60012	0.6
55.01880	0.6
57.03456	4.5
59.01386	21.1
60.82276	0.6
61.98822	3.4
67.03037	0.5
69.03474	1.2
69.52882	2.1
71.01386	14.6
72.04547	2.1
72.99359	0.5
73.02964	5.2
74.02479	1.0
75.00894	0.8
82.02998	2.4
83.01392	1.6
83.06165	1.2
84.04558	1.0
85.02955	5.3
87.00894	3.5
87.04534	1.2
89.02453	8.3
95.01404	0.7
96.50808	0.5
97.02987	1.5
99.00899	1.7
100.07701	0.9
101.02453	9.4
102.05578	0.9
103.04018	0.9
109.02993	0.9
109.04087	5.4
109.06385	0.5
111.00921	0.6
113.02483	3.5
115.03995	0.7
119.03516	1.6
121.02962	1.1
123.08145	1.4
125.02469	2.6
125.09738	1.5
127.05151	35.4
128.03548	11.5
131.03491	1.8
135.04529	1.8
137.09727	0.7
139.08806	1.1
142.12408	5.2
144.55934	0.5
145.02991	1.7
145.06203	8.7
149.00919	2.0
149.04541	2.0
149.09795	0.7
152.10838	1.2
155.10803	1.7
156.13936	0.8
159.03024	1.1
159.04620	0.6
159.93272	0.5
161.02473	1.2
161.04594	3.1
163.04105	0.8
163.06136	0.7
165.12807	0.9
170.11877	1.8
173.04578	0.8
177.01881	1.1
178.63036	0.5
179.03505	1.4
179.10652	0.7
187.41815	0.5
191.05626	4.2
191.14381	0.9
209.16734	3.7
230.15074	0.5
233.06633	1.6
237.16087	12.1
251.17749	0.7
252.66759	0.5
255.17122	0.8
267.06653	2.8
267.17178	2.9
293.08780	2.2
293.11896	0.7
307.10419	0.7
311.05606	1.0
311.15186	0.6
317.25726	1.1
342.50168	0.6
357.26462	2.1
371.15198	0.8
371.20578	1.2
371.24521	9.1
375.27466	1.7
393.27759	0.6
395.29282	1.5
439.31766	1.6
441.33356	2.4
443.19193	1.5
485.32321	7.0
503.25317	6.0
503.33411	100.0
504.33737	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	504.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01384	12.1
61.98834	4.5
69.75866	2.7
71.01389	7.7
73.02942	1.8
74.02477	1.2
84.04551	3.8
85.02950	2.5
87.00887	1.5
89.02472	4.9
98.22015	1.4
99.00861	1.2
100.04108	1.1
101.02460	4.9
102.05617	33.7
109.02975	1.1
113.02467	2.6
127.11283	0.9
128.03554	57.0
131.03461	1.2
133.02971	0.9
135.04518	2.0
146.04611	8.6
161.02463	1.0
161.04514	1.5
179.03577	0.7
221.19144	15.4
237.18610	1.0
239.20143	5.0
241.57152	0.8
243.48561	0.9
265.18118	13.4
266.18646	0.8
282.20862	0.9
283.15988	1.3
283.19138	21.3
295.09329	0.9
301.20230	24.0
302.20801	1.2
324.25430	1.9
342.26456	2.0
343.21573	1.2
368.24417	2.0
372.24811	1.3
373.22134	1.9
373.26132	1.9
375.23853	13.9
375.28171	1.2
386.25317	7.0
430.24176	2.0
460.29446	1.3
486.27090	6.6
504.28204	100.0
505.27890	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	504.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.2
59.01394	6.3
61.98830	2.8
64.76978	0.9
69.85989	1.2
69.86348	2.9
71.01390	2.8
73.02959	1.1
74.02498	1.2
78.15211	0.8
82.27105	0.8
84.04539	2.8
85.02970	1.3
85.53822	0.9
87.00883	1.7
89.02452	2.2
97.06641	1.3
98.22591	1.2
101.02469	2.3
102.05622	32.3
128.03551	53.0
135.04524	1.2
146.04634	8.1
146.50574	1.1
221.19121	17.1
222.19460	1.1
239.20152	2.1
265.18121	12.0
283.19180	15.8
300.22043	1.2
301.20242	21.4
302.20551	1.0
324.25464	2.1
337.30643	0.9
342.26620	1.7
361.01202	1.0
368.24454	1.7
375.23959	15.0
386.25580	6.2
486.27069	8.6
504.28201	100.0
505.28119	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	504.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
71.42439	3.6
77.06857	3.4
99.72469	3.9
110.02455	4.0
131.51413	3.2
267.23358	7.4
268.23593	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	504.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39542	2.0
54.69881	2.5
61.98837	100.0
69.33633	2.2
71.14443	2.8
78.95909	6.6
88.62730	2.4
108.74666	2.2
152.99634	4.1
270.78897	2.6
277.21741	2.6
278.22147	4.3
307.26477	28.3
504.31030	5.2
505.30884	2.8
513.58502	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	504.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69435	0.1
59.01384	0.5
60.55748	0.1
78.95911	6.0
82.08282	0.1
90.22742	0.2
148.49248	0.2
152.99649	0.8
153.24362	0.1
168.04327	1.8
171.00600	0.2
224.07013	0.9
242.08000	2.4
257.94461	0.2
261.22287	0.3
277.21744	1.2
279.23303	100.0
280.20544	0.3
280.23624	4.8
504.30969	6.4
505.25064	0.3
505.31305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	0.8
69.75747	1.8
75.00876	1.6
87.00878	1.7
93.03498	0.8
98.22607	0.7
103.05542	0.6
105.01949	2.7
108.02196	1.8
109.02967	21.8
109.09236	0.6
119.05042	4.5
121.02969	2.9
123.04568	1.0
129.03477	9.5
130.04269	1.8
131.05023	1.1
134.54817	0.6
135.04524	1.0
145.02992	4.6
146.03770	6.1
147.04541	100.0
148.04881	3.4
157.02893	0.7
158.03697	1.7
159.04535	17.5
160.05081	0.9
165.04074	7.9
185.02454	1.0
192.73634	0.6
203.03502	1.7
203.13194	0.6
225.05458	0.8
229.01427	6.8
248.29218	0.6
249.05547	0.8
250.06398	0.6
251.07188	0.9
267.06671	3.8
269.08212	38.4
270.08615	1.8
277.05136	1.9
293.04584	1.3
295.06070	4.1
313.07236	21.5
314.07452	1.5
339.05103	19.4
340.05380	1.1
357.06204	1.4
461.10999	2.1
505.09927	17.9
506.10019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34978	0.5
59.01384	6.8
71.01383	4.4
73.02956	1.2
75.00882	2.0
85.02977	1.2
87.00906	2.3
87.46625	0.5
88.53207	0.5
89.02459	3.7
93.03498	1.0
94.51575	0.5
99.00887	1.3
101.02459	2.8
101.03947	0.7
105.01947	2.9
108.02167	1.6
109.02958	21.0
111.57227	0.5
113.02446	1.3
119.05038	4.6
121.02971	3.5
123.00968	0.5
123.04545	1.5
129.03476	8.3
130.04254	1.4
131.05034	0.7
133.02945	0.7
135.04521	1.9
137.02451	0.6
145.02982	3.8
146.03780	6.7
147.04536	100.0
148.04869	3.1
149.00858	0.5
158.03722	1.2
159.04529	15.6
163.04056	0.5
165.04057	8.0
173.02544	0.5
179.03514	1.0
191.05620	1.2
203.03575	1.5
224.04883	0.7
225.11339	0.6
229.01428	6.1
237.05788	1.1
239.35042	0.6
248.96472	0.5
249.05586	0.9
251.07275	0.7
253.05243	0.7
255.03076	0.7
255.06924	1.5
267.06564	2.9
268.07089	0.7
269.08206	30.6
270.08493	1.8
277.05060	1.5
295.06122	3.6
313.07220	18.4
339.05112	15.3
340.05307	1.2
357.06210	2.4
373.14764	0.7
373.18741	4.9
461.10709	1.0
463.21716	1.1
505.09909	18.5
505.26602	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	505.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00142	0.6
59.91153	0.5
69.17502	4.3
70.94556	0.6
72.56986	0.9
78.71498	0.7
81.78008	0.6
83.86901	0.8
100.13524	0.7
121.02967	100.0
122.03316	1.6
145.02972	0.9
160.23251	0.6
181.06599	4.5
196.70647	0.7
197.06142	2.5
225.05583	2.3
240.39450	0.7
247.54491	0.7
251.07320	0.7
295.44958	0.6
313.07150	5.2
357.06436	1.1
383.07916	1.2
417.09894	10.9
471.95935	0.8
499.12662	0.8
505.11517	7.1
532.27203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1356
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
50.33693	0.7
56.80316	0.7
59.01382	16.8
61.98830	1.6
69.09367	4.4
71.01390	6.6
73.02950	1.9
78.73253	0.8
81.03487	0.7
83.01378	1.1
85.02959	1.8
85.17270	0.6
89.02428	4.2
93.03454	1.3
101.02471	3.9
105.03451	0.7
108.02151	1.0
109.02954	5.9
109.06597	1.4
113.02448	1.7
116.46169	0.6
116.92834	1.1
117.03468	0.8
119.03533	0.7
119.05048	3.6
121.02975	4.4
122.03751	0.8
123.04546	1.2
125.02469	1.5
132.02174	1.7
133.02963	25.1
134.03763	1.4
135.04538	18.9
135.05508	1.2
136.01682	7.1
137.02480	3.5
137.06094	17.0
149.02455	1.3
149.04588	2.4
149.05989	1.1
150.03230	1.2
151.03993	7.8
159.04460	1.0
161.02454	100.0
162.02773	3.6
163.03984	0.9
169.08649	1.3
175.03989	0.9
177.01981	1.7
177.05571	2.2
178.02638	1.1
179.03517	10.8
180.03952	0.6
181.05078	34.4
181.12363	0.7
182.05417	1.1
189.05676	0.9
191.03589	1.0
191.05603	4.3
193.05080	1.2
199.09709	0.7
203.03510	1.2
204.09628	0.8
221.04500	2.3
255.03110	0.9
280.05753	0.9
285.03906	0.7
300.02618	1.6
309.94794	0.7
321.03787	0.8
323.07727	29.3
324.08041	1.4
325.10767	1.3
343.11929	13.9
344.12225	0.8
344.63297	0.7
346.22128	0.8
373.70230	0.7
505.13477	43.7
505.26584	4.0
506.13657	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	505.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75194	1.0
59.01382	49.7
60.33673	1.1
72.99311	18.2
77.19841	1.0
84.99313	1.3
87.00869	8.4
91.50572	1.2
101.02446	8.4
103.00378	40.1
112.98807	3.2
130.99904	6.7
145.01442	24.8
159.73296	1.2
163.02499	100.0
164.02817	1.4
189.99416	1.0
259.52228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
57.65641	0.3
59.01386	2.9
61.98841	0.8
63.50081	0.3
69.15422	1.3
71.01388	2.5
73.02950	0.6
80.91690	0.4
83.01372	0.3
85.02953	0.6
87.00848	0.3
89.02441	3.0
101.02441	1.9
102.12351	0.3
109.02954	0.5
113.02430	0.5
125.02460	0.5
126.99580	13.5
127.99947	0.3
131.03506	0.7
131.08672	2.6
133.02974	0.5
137.02466	0.3
149.04572	1.0
151.03229	3.2
154.99043	0.4
161.04509	0.3
163.07625	3.1
165.04802	2.7
167.06339	100.0
168.06702	3.2
180.98576	0.3
184.05255	0.4
190.05008	0.3
191.05620	0.4
211.05325	33.2
212.05675	1.2
215.40463	0.3
237.81308	0.3
266.31863	0.3
270.06970	0.3
291.52802	0.3
293.08694	0.6
308.18558	0.4
424.65088	0.3
438.56244	0.3
505.33682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50120	3.1
54.18906	2.9
59.01387	47.1
61.98824	6.5
69.27438	10.0
69.27860	10.1
70.49869	3.2
71.01379	31.0
72.99314	3.7
73.02937	3.7
75.00871	8.2
80.42143	2.9
83.01401	3.2
85.02979	6.0
87.00896	4.5
89.02457	34.1
93.03466	4.1
97.98823	3.2
98.98235	2.9
99.00887	5.1
101.02456	11.3
106.00946	3.2
109.02946	23.4
113.02431	3.4
115.04038	3.8
119.05003	5.8
121.02957	6.4
122.06075	3.9
123.04502	5.1
125.02445	18.2
129.03450	11.1
129.77840	3.5
131.03494	5.8
134.03749	5.5
135.04529	4.3
137.02469	5.3
145.03029	3.8
146.03821	5.0
147.04529	100.0
149.04643	4.7
151.04007	32.3
159.04509	23.7
161.02483	4.4
165.04005	4.6
175.17596	3.2
177.02086	3.6
191.05556	3.9
193.05092	4.7
233.06631	13.5
267.06824	4.7
269.08185	37.3
293.08762	31.9
295.06015	4.1
313.07156	24.9
339.04990	15.7
343.11703	4.1
364.79373	3.2
505.09552	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	505.1568
Annotation	Allobetonicoside
Peak:m/z	Relative Intensity
59.01382	19.3
61.98822	0.7
69.03469	0.8
69.13110	2.2
69.13519	1.3
71.01387	6.3
73.02949	5.6
74.99099	5.0
75.49194	0.5
81.03458	0.6
83.01374	1.0
85.02959	2.1
89.02452	3.8
93.03458	1.3
97.02969	1.4
99.00888	0.9
101.02454	4.2
103.04010	2.3
107.05008	0.8
108.02156	0.7
109.02962	5.4
109.06606	3.3
113.02497	1.0
115.00381	0.8
119.03523	1.4
119.05028	4.3
121.02946	6.3
122.03726	1.5
125.02474	3.0
133.02986	1.7
135.04515	5.0
136.04868	0.7
136.99176	3.9
137.02534	0.8
137.06088	31.4
151.04034	0.6
161.02454	3.0
162.02823	1.2
163.02867	1.0
163.04102	1.1
163.06116	2.5
178.02812	1.0
179.03477	2.6
180.03871	0.8
181.05077	100.0
182.05421	2.6
193.05077	3.8
223.06131	4.9
244.15924	0.5
255.10355	2.9
299.09634	0.6
307.10406	2.2
341.08884	1.1
343.10339	45.6
344.10733	2.0
385.11334	1.5
460.75787	0.7
505.15173	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	505.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.9
59.34182	0.7
60.96622	0.7
61.52203	0.7
66.79356	0.7
66.92527	0.7
69.03466	3.8
71.01388	10.1
71.05028	22.4
78.95935	1.7
83.01369	0.8
85.02961	1.7
87.00885	1.2
89.02453	13.5
96.95386	1.8
96.96021	36.0
96.97002	2.3
97.02961	6.4
98.43785	0.7
100.34647	0.8
101.02441	6.6
113.02463	11.3
114.93444	1.5
115.00385	2.4
115.04025	100.0
116.04369	1.5
119.03504	6.7
131.03502	5.6
143.03519	1.0
161.02570	1.7
161.04594	1.9
168.99156	0.9
179.03551	1.4
179.05614	8.1
185.41675	0.8
237.68564	0.8
277.54132	0.7
293.08829	21.5
331.04373	3.3
407.12045	5.0
460.15466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
70.91418	0.6
71.01400	1.0
73.74804	0.4
85.02979	0.6
87.45386	0.5
89.02452	0.8
93.23540	0.5
104.02686	0.4
113.02430	0.6
114.14248	0.5
118.04285	2.1
132.02217	0.6
133.02940	0.5
134.03749	0.8
145.02966	0.5
148.01678	0.9
161.02498	0.9
162.03195	2.4
173.02580	0.4
176.01115	1.5
177.01927	1.7
179.03497	0.6
185.06104	1.5
189.01941	3.0
190.02725	11.1
190.04350	0.9
191.03391	1.3
198.06940	0.7
199.07652	15.0
200.08218	1.0
203.03497	2.7
222.01744	2.5
225.05611	2.5
226.06483	0.5
227.07166	3.0
229.05060	4.7
230.05817	2.9
231.06625	0.7
243.06618	17.3
244.07414	6.5
267.06647	2.2
269.08255	1.1
289.72833	0.5
299.12894	18.3
300.13370	0.6
325.10776	7.8
325.14383	0.7
328.13129	1.8
343.11868	100.0
343.15359	5.9
344.12216	6.1
344.15915	0.8
385.12961	8.9
448.64432	0.5
487.16058	0.8
505.17157	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	505.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17208	0.6
55.01900	1.7
57.03462	1.9
59.01382	13.2
60.45390	0.6
61.76518	0.6
61.98848	0.8
65.00012	0.7
71.01394	15.3
71.41880	0.7
73.02954	6.7
81.03477	0.8
83.01411	3.2
85.02965	7.4
87.00877	1.0
89.02451	2.4
89.17966	0.7
95.01399	1.3
96.96031	1.9
97.00868	0.7
99.00903	2.6
101.02449	13.4
106.03169	0.8
111.00883	1.5
113.02467	5.8
118.04277	3.8
125.02477	1.0
134.03790	1.3
159.03029	1.4
161.04550	4.9
162.03253	4.1
173.90079	0.7
176.01172	2.0
177.02069	0.8
185.06146	1.5
189.01984	3.0
190.02725	15.7
191.03242	1.2
198.06880	1.4
199.07664	16.2
203.03513	2.5
222.01686	3.5
225.05602	2.6
226.06329	1.1
227.07104	2.8
229.05095	6.4
230.05928	3.7
243.06622	18.8
244.07372	7.3
245.08257	1.2
267.06573	1.6
299.12891	22.9
300.13422	0.9
315.12488	0.8
316.02798	0.8
325.10806	5.8
325.27502	1.6
343.05106	2.5
343.11868	100.0
343.28491	1.8
344.12241	6.4
367.07532	0.8
373.26270	0.7
385.12747	1.8
487.32776	10.6
505.17200	40.1
505.33801	21.9
506.17365	3.4
506.23953	2.8
506.34320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30604	0.2
57.03439	0.4
58.90944	0.2
59.01388	2.2
61.98854	0.4
69.82378	0.6
69.82759	0.6
71.01369	1.9
73.02949	0.3
77.95639	0.3
81.03445	0.4
83.01403	0.3
85.02951	0.6
89.02464	0.8
89.03978	1.2
93.03477	2.1
98.61690	0.2
101.02442	1.2
105.03468	2.6
113.02472	0.5
118.04269	2.6
121.06628	0.5
132.02222	0.7
133.02982	5.4
134.03746	0.7
135.04527	0.4
136.01636	0.3
136.99084	0.3
137.02457	2.5
145.02979	0.7
148.01669	0.5
149.02425	0.6
159.04491	0.3
161.02443	0.7
162.03239	2.7
163.03987	0.4
176.01205	1.6
177.01942	56.2
178.02296	1.2
179.03535	0.5
179.10791	0.3
181.06531	0.3
185.06032	1.3
189.01961	2.5
190.02730	13.2
191.03310	0.8
193.01378	0.4
198.06839	0.8
199.07654	10.5
200.08249	0.6
201.02115	0.3
203.03506	2.7
204.04297	0.6
205.01450	0.3
206.02219	0.8
211.03928	0.3
213.05566	0.6
215.07262	0.3
222.01749	2.7
225.05582	1.1
226.06358	0.4
227.07135	2.5
229.05070	4.5
230.05841	3.9
231.06538	1.1
241.58998	0.3
243.06625	11.3
244.07378	3.6
255.14018	0.4
258.05328	0.4
267.06625	1.8
269.04550	0.4
297.11313	0.5
299.12894	23.0
300.13156	1.3
315.12726	0.5
325.10855	4.8
335.34753	0.4
343.11874	100.0
344.12247	5.9
344.51602	0.3
505.17041	6.8
505.33847	0.7
506.17545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13625	0.6
70.63820	0.7
70.64159	1.0
77.93961	0.6
93.03453	1.0
109.06586	2.1
117.03477	0.6
119.05035	95.7
120.05368	2.2
149.90530	0.8
160.84232	16.9
161.84285	2.3
162.83929	26.2
163.04019	100.0
164.04346	3.2
176.38095	0.6
181.01274	0.7
221.71849	0.6
224.04695	0.7
238.06378	1.8
255.10289	1.7
266.05740	0.7
283.09760	10.4
295.09778	1.4
296.10565	0.8
298.12128	1.5
310.12155	1.1
311.09280	20.0
311.12973	1.0
312.09305	0.7
325.10867	1.0
326.11633	12.7
327.11917	1.6
341.13959	26.1
342.14099	0.8
445.10165	1.5
505.31744	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72828	1.3
55.01878	2.8
58.00592	2.3
59.01388	100.0
69.03461	3.7
71.01389	42.6
71.10448	2.2
73.02950	19.3
77.34238	1.7
81.03467	2.2
83.01408	6.0
85.02960	14.9
89.02461	26.5
96.82607	1.4
96.99885	1.3
97.02954	9.7
99.00945	1.8
99.04582	1.6
101.02455	28.2
103.04030	21.2
109.02918	1.7
109.67573	1.5
113.02473	4.2
115.04047	2.5
117.24965	1.4
119.03526	11.3
119.05053	3.2
121.03022	2.7
125.02464	31.0
127.04029	2.2
133.03001	6.6
135.04524	10.2
136.04868	2.5
137.05106	3.6
137.06105	42.2
143.03510	4.8
145.05115	5.3
161.02477	18.4
162.02824	6.1
163.02979	4.2
163.06148	25.7
179.03540	13.1
180.03889	5.0
181.03812	3.0
181.05130	5.0
205.07051	1.6
223.06134	1.9
229.14182	1.5
244.01134	1.8
247.08206	9.4
265.01581	1.4
289.09213	2.2
307.10352	29.2
327.06702	1.7
341.08777	5.4
342.09155	4.3
343.09518	13.0
385.11453	3.0
457.41141	1.6
505.14737	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	505.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13232	0.7
55.01883	1.8
57.03440	2.0
58.00588	1.0
59.01385	35.1
60.13741	0.7
69.03466	1.3
69.19994	0.8
69.84875	0.7
70.03566	1.5
70.03899	1.0
71.01391	23.7
72.99352	0.8
73.02957	12.7
75.00883	0.9
81.03454	0.9
83.01399	3.0
83.05021	1.3
85.02962	9.8
87.00888	3.2
87.04525	8.8
89.02458	17.5
95.01391	2.7
95.05035	1.0
96.70264	0.8
97.02959	3.2
99.00883	1.7
99.04525	1.0
101.02457	19.9
101.35524	0.7
111.04508	1.5
113.02464	19.8
119.03524	7.6
125.02466	14.3
131.03526	2.5
134.22296	0.7
135.08151	4.4
137.09740	26.1
139.11317	1.3
143.03532	2.4
147.73914	0.7
151.11287	1.7
155.10797	100.0
156.11136	3.5
161.02487	1.1
161.04596	8.5
169.12328	5.5
177.01984	0.7
179.03369	0.9
179.05675	7.5
181.08719	7.9
185.11810	0.8
199.09784	72.6
200.10088	2.1
213.11346	6.4
221.06709	4.3
229.14531	2.0
241.10832	32.4
242.11145	1.3
249.54762	0.8
253.04892	0.8
253.10802	2.7
255.12404	1.0
283.11963	5.1
295.11752	0.9
301.12946	1.6
307.11835	1.1
325.13049	2.2
325.20279	1.0
343.09802	0.7
343.13953	4.7
361.15045	3.2
373.25919	4.6
385.15121	21.3
386.15784	1.2
391.19733	4.6
403.16293	5.2
433.17230	1.5
445.17258	4.3
445.24268	2.0
463.25528	6.3
464.26810	0.9
505.19659	3.7
505.26666	11.6
506.27127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.9
69.26400	1.7
69.26805	2.9
69.54257	0.7
71.01381	4.2
80.90405	0.7
81.25200	0.8
82.95420	5.2
85.02952	0.9
89.02454	2.6
89.62598	0.7
101.02454	2.4
104.02717	0.9
113.02480	1.2
114.97705	0.7
117.77624	0.9
118.04266	2.0
119.05109	0.7
133.03047	0.9
135.56186	0.9
145.02972	1.2
148.01668	1.3
155.08722	1.0
161.02505	1.3
162.03239	2.3
167.06387	3.4
171.08105	1.5
177.01938	0.9
189.01935	6.7
190.02744	11.8
190.05139	2.1
199.07658	3.2
201.01945	0.8
203.03511	2.6
203.07162	0.8
204.04378	2.6
215.07158	0.9
216.04326	1.4
222.01729	2.4
229.05045	4.5
230.05772	1.1
236.03580	0.8
243.06621	41.5
244.07246	4.0
255.06644	1.1
295.09830	3.8
297.99142	0.8
309.11481	1.3
310.12134	13.5
310.15485	1.2
311.12811	4.5
312.13687	22.7
312.78943	0.9
313.14215	1.9
325.14444	15.3
327.16019	29.2
328.16422	1.7
329.13995	1.7
343.12003	1.5
343.15549	3.7
487.18280	1.2
505.20911	100.0
506.21326	8.1
520.49774	0.8
533.65070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18953	1.3
59.01383	13.1
61.98844	1.3
69.81395	3.3
71.01389	7.2
73.02940	1.6
85.02952	1.6
89.02458	4.2
101.02460	5.6
102.25639	1.2
113.02454	3.3
119.03471	2.2
122.21210	1.2
143.89075	1.1
145.03018	1.7
150.82954	1.1
153.66211	1.1
162.54559	1.3
171.08142	1.4
177.02054	2.2
189.01984	4.1
190.02733	9.1
191.37509	1.0
197.26984	1.0
199.07628	5.7
201.01968	1.7
203.03674	1.4
205.01460	2.2
215.07225	1.3
217.01399	1.2
222.01715	3.3
229.05106	3.4
236.03308	1.2
243.06622	47.4
244.07307	8.3
257.08224	2.1
259.06131	2.8
311.12930	6.9
312.13708	12.6
321.62143	1.0
327.12631	1.9
327.16135	6.7
329.13934	10.3
342.11292	1.7
343.11938	6.0
343.15634	1.7
357.13498	2.0
374.94955	1.5
446.95270	1.2
490.18417	1.6
505.20981	100.0
505.33575	3.6
506.21085	8.8
523.08759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.1
69.31821	2.7
69.32234	0.9
71.01379	4.1
82.95420	2.3
89.02449	2.5
93.23158	0.6
98.22605	1.6
101.02471	1.9
102.81118	0.6
107.05038	0.7
113.02453	1.3
114.32687	0.6
118.04264	1.4
126.13741	0.9
131.03734	0.7
131.65384	0.7
141.44754	0.6
145.03014	1.1
148.01700	1.6
161.02438	1.0
162.03258	3.1
167.06357	2.5
176.01234	0.7
185.06027	1.2
189.01938	7.5
190.02740	13.1
190.05215	0.9
191.07159	1.4
199.07652	3.5
201.01930	1.0
201.05632	0.8
203.03580	1.7
203.07106	1.4
204.04353	3.5
211.07841	0.7
215.07117	0.7
216.04303	0.9
221.08360	0.8
222.01736	3.1
225.05359	0.8
229.05060	4.3
230.05881	1.5
236.03302	1.3
243.06630	44.2
244.07300	3.9
249.11880	0.7
251.10927	1.2
255.06624	1.9
257.04547	0.9
257.08115	1.0
265.12411	1.6
267.06613	0.8
295.09760	4.6
309.11407	1.4
310.12131	13.9
311.12851	6.2
312.13669	24.4
313.14133	1.7
325.14441	14.7
327.16043	28.4
328.16455	1.4
329.13940	2.6
337.27118	0.7
343.07944	0.7
343.11813	2.4
343.15607	3.5
427.11780	0.8
457.16278	0.8
469.16623	0.7
472.15060	0.8
475.17252	1.0
487.17365	1.1
490.18478	1.6
505.20905	100.0
506.21234	7.8
521.67902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2575
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.56069	0.4
59.01377	1.1
63.00824	0.4
78.95905	10.9
84.98682	0.4
96.97004	0.6
98.21813	1.1
136.56065	0.4
152.99609	16.6
163.33963	0.4
171.00623	1.4
213.33397	0.5
227.03290	3.2
229.30489	0.5
245.04332	2.6
277.21744	100.0
278.22061	5.5
279.23056	0.5
280.23627	0.8
397.65692	0.4
505.25732	29.3
506.26141	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	505.2661
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
54.20885	0.6
54.38549	0.6
55.01882	0.8
57.03450	1.4
58.00601	1.3
59.01384	100.0
69.03483	0.7
69.18681	2.8
69.19087	1.2
70.41965	0.7
71.01388	60.7
73.02956	20.6
75.00888	1.1
79.99623	0.6
81.03487	0.7
83.01402	2.2
85.02954	8.2
87.00883	2.1
89.02454	99.9
90.02791	0.9
95.01399	2.5
97.02972	1.6
99.00891	27.8
101.02454	44.1
109.64167	0.7
109.98646	0.7
113.02460	13.0
115.04021	1.2
119.03524	11.5
125.02464	6.0
131.03525	19.0
135.00595	0.7
143.03510	3.0
149.04578	67.1
150.04890	1.2
161.04559	3.5
179.05629	4.5
191.05653	14.9
221.06709	3.3
233.06833	0.9
251.07788	5.8
293.08798	1.4
311.09860	1.2
367.82208	0.7
373.22159	1.0
402.13971	0.7
441.90198	0.7
463.21811	1.5
505.26617	32.7
506.26947	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	505.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01381	7.6
61.42304	0.4
61.98831	0.4
68.87320	0.4
69.03465	0.7
69.46490	1.8
71.01389	3.7
72.99310	0.5
73.02954	1.6
75.90263	0.3
83.01379	0.6
83.05063	0.5
85.02940	1.8
87.00881	4.6
88.55445	0.3
89.02432	2.8
93.03455	0.5
97.06588	0.4
98.22664	0.7
99.00880	0.6
99.04528	0.3
101.02437	3.1
112.98809	0.6
113.02463	1.4
120.01247	0.5
123.08183	0.7
125.02470	0.4
125.09744	1.6
126.13734	0.4
127.11292	0.8
130.99863	0.4
131.03520	0.7
135.04535	0.8
137.02438	0.9
137.09760	0.6
141.09276	0.3
149.04565	1.0
155.10805	2.5
160.04129	0.5
161.04521	0.8
171.10271	3.6
177.01880	0.4
183.10321	0.4
183.13907	0.7
185.11856	4.6
199.09763	1.5
199.13426	0.7
225.14990	1.0
229.14394	0.4
271.28009	0.4
306.24213	0.4
325.20074	0.4
327.21878	0.5
343.11832	1.2
343.24985	1.0
355.25009	2.0
371.24490	0.8
373.25977	100.0
374.26321	6.4
389.25470	0.5
394.99966	0.3
445.24854	0.6
463.25833	1.7
505.26645	10.2
506.28500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2664
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
52.55914	0.7
55.01896	3.3
57.03464	3.6
57.03694	0.7
59.01385	37.9
69.03465	2.2
71.01389	52.2
72.01720	1.2
72.99317	1.6
73.02950	23.0
75.00880	1.2
83.01397	7.7
85.02962	22.2
87.00877	2.7
89.02458	18.6
90.02808	0.7
95.01390	3.2
97.02979	2.6
98.22635	1.5
99.00892	11.9
101.02452	45.2
111.00886	1.3
113.02466	19.1
115.04021	2.0
119.03521	3.0
120.16625	0.7
121.02992	0.8
125.02491	5.2
131.03525	2.7
135.04552	1.0
143.03519	2.7
149.04596	4.4
159.02997	3.6
159.04416	0.6
160.05309	2.2
161.02502	1.2
161.04576	19.5
168.00743	0.8
175.07658	1.6
178.06358	1.0
179.05588	0.8
191.05620	2.6
211.17123	1.3
233.06667	2.5
254.84155	0.6
262.32114	0.8
269.04547	1.5
293.08630	1.6
329.13974	8.7
330.14523	0.9
373.22314	43.3
374.22678	2.8
389.25446	1.5
419.11484	0.7
446.75812	0.7
505.26636	100.0
506.26938	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	505.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72818	0.2
57.03462	1.4
59.01120	0.3
59.01382	4.1
61.98825	0.9
69.12171	1.7
71.01390	1.7
71.05006	0.3
72.99329	0.5
73.02962	0.8
85.02958	0.8
87.00890	4.5
87.04514	0.3
89.02464	0.9
93.03454	0.4
97.06588	0.8
98.21896	0.5
99.00897	0.3
101.02448	1.2
103.00328	0.3
111.08169	0.6
112.98824	0.6
113.02466	0.6
113.09766	0.3
118.02401	0.2
121.02987	0.4
123.08186	1.7
125.09755	0.6
130.65610	0.3
130.99915	0.4
131.03558	0.5
133.02937	0.4
135.04532	0.9
137.09717	0.3
139.11296	1.1
141.09207	0.4
141.12897	0.3
143.63713	0.2
147.04507	0.3
149.04561	0.6
152.34251	0.2
155.10797	0.6
157.12378	0.6
161.02484	0.6
161.04561	0.3
167.09584	0.3
171.10266	0.8
177.01959	0.9
179.03413	0.5
180.04271	0.6
185.11841	7.8
199.13377	0.3
214.12144	1.1
215.12939	0.3
229.14484	3.3
265.18164	0.7
267.19623	0.4
283.19171	0.3
323.96515	0.3
327.21738	0.4
355.24973	1.3
371.24399	1.0
373.25983	100.0
374.26318	6.4
404.41217	0.3
463.25443	0.5
487.19659	0.3
487.25980	0.3
505.13647	0.8
505.26553	7.6
506.26105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2814
Annotation	Mucronine A
Peak:m/z	Relative Intensity
50.41248	0.3
54.67773	0.4
56.68287	0.4
59.01386	2.4
91.04027	0.8
97.91061	0.4
116.70187	0.4
117.03482	23.8
118.04308	3.0
119.05043	33.8
120.05402	1.3
121.02978	3.0
123.04527	0.6
133.02936	0.4
145.02969	100.0
146.03308	2.5
159.58279	0.4
162.03188	0.9
163.04025	23.1
164.04410	0.7
237.07721	0.6
245.60414	0.5
267.19751	1.7
278.60962	0.3
285.20734	8.7
345.24530	0.5
413.19247	0.4
413.23383	15.3
414.23694	1.2
431.24420	18.3
432.24774	1.7
505.28149	70.7
506.28494	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	505.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.8
57.03461	9.4
59.01384	66.9
60.56004	1.7
61.98823	4.2
63.11793	1.5
69.03472	2.1
71.01388	77.6
73.02951	34.5
74.43130	1.6
75.00871	2.9
80.43301	1.5
80.76924	1.6
81.27163	1.8
83.01395	19.1
83.05012	1.8
85.02958	45.5
85.54414	1.6
86.78062	1.6
87.00870	4.7
89.02457	13.0
95.01398	5.9
97.02937	2.7
99.00887	15.0
101.02454	75.5
102.02772	1.7
106.59602	1.8
111.00904	11.2
113.02454	32.5
125.02438	2.2
129.01944	4.7
131.03551	2.0
133.02972	2.5
135.03008	1.5
135.04532	3.9
137.02397	1.9
143.03496	2.7
147.04567	2.0
149.04630	2.5
150.06953	2.5
152.82561	1.4
159.03000	9.4
161.04568	26.9
167.04443	2.2
179.03445	2.1
206.55112	2.0
271.22693	2.8
325.27432	8.6
327.21866	3.1
343.28696	8.3
367.77182	1.9
373.22128	4.7
373.25946	6.8
487.26144	3.1
487.32797	44.4
488.32947	3.4
505.26505	12.9
505.33810	100.0
506.34158	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	505.9936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01409	0.5
61.98830	0.7
62.54282	0.5
69.61856	2.1
73.02936	0.6
73.74499	0.5
93.03479	0.7
109.06598	1.7
119.05036	57.7
120.05378	9.9
125.11302	0.6
145.02943	0.9
160.84230	3.7
161.84319	0.6
162.83929	100.0
163.04021	57.8
163.83987	0.9
164.04359	11.0
191.27228	0.6
213.79723	0.5
238.06436	0.6
255.10233	1.3
283.09888	4.4
284.10141	2.0
296.10504	0.7
299.12268	0.6
311.09293	11.6
312.09622	4.9
325.10757	0.6
326.11551	6.2
327.12030	2.9
341.13959	12.7
342.14334	6.0
343.15588	1.4
410.98306	0.6
417.07498	0.7
444.09985	0.7
461.32953	1.0
505.31561	2.7
506.31827	1.2
507.09402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.9
61.98822	0.7
71.01382	0.5
73.99577	0.3
101.02441	0.3
106.61996	0.3
108.02187	10.2
126.64805	0.3
138.01987	100.0
139.02354	1.7
149.67329	0.3
190.94398	0.3
300.84973	0.3
310.08395	0.2
330.92361	0.3
367.23010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29577	2.2
55.01836	2.2
57.03457	2.7
59.01385	67.6
61.98840	8.5
62.49197	2.2
69.46529	2.3
70.59834	4.0
71.01386	58.7
73.02958	11.1
74.02456	2.5
79.84869	2.2
82.72964	2.2
83.01365	2.5
83.28684	2.2
85.02955	15.1
87.00876	4.6
88.82688	2.2
89.02449	59.6
93.03481	4.5
97.02948	2.4
97.36362	2.3
101.02458	38.6
102.79534	2.2
113.02452	12.1
115.03960	2.2
119.03493	8.3
125.02457	4.2
128.03540	3.3
128.93127	2.3
131.03502	23.9
134.03696	5.8
135.04536	2.7
137.02464	5.8
149.02478	2.1
149.04573	35.7
149.13965	2.3
150.03185	2.5
152.03577	10.2
153.53568	2.1
160.03960	2.6
161.04576	7.7
161.06044	4.1
178.71645	2.4
179.05609	3.1
191.05602	13.6
193.05051	4.9
216.81628	2.3
270.08054	3.0
293.08728	2.8
315.12369	8.6
331.17651	14.4
344.12308	3.7
431.76846	2.4
463.21841	100.0
464.22040	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	506.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03435	3.2
59.01385	43.1
61.98831	9.4
63.45876	2.0
69.38889	9.1
69.39243	3.4
71.01393	33.0
73.02950	16.6
83.01401	6.1
85.02954	14.1
85.06596	9.8
87.00876	2.0
89.02455	21.2
95.01430	2.5
97.02977	3.0
98.22704	2.1
99.00889	4.1
101.02449	29.6
113.02457	15.8
113.06088	2.3
119.03493	3.4
125.02486	7.4
131.03535	13.1
149.04572	7.4
161.04567	11.6
187.23253	2.0
189.07701	4.1
190.02702	9.1
190.36319	2.1
191.03371	2.0
191.31641	2.1
199.89812	2.3
203.03493	4.8
243.06682	2.8
327.08856	2.9
331.17715	13.2
345.13452	44.6
375.19418	2.2
375.23792	3.3
441.29898	2.3
457.33835	2.9
461.23880	2.0
463.21906	100.0
464.22284	6.2
488.32254	2.1
506.26764	2.8
507.19150	10.1
507.27954	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	506.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.9
57.90652	1.3
59.01386	23.5
61.98824	2.9
65.22752	1.3
66.17488	1.7
69.03467	1.5
69.93648	4.3
71.01389	28.8
73.02953	9.0
83.01396	5.3
85.02962	13.4
87.00884	1.9
89.02457	16.9
93.03488	1.4
95.01389	1.6
99.00880	2.7
101.02462	18.4
101.19646	1.3
109.02962	1.4
111.00877	3.4
113.02450	8.6
119.03576	1.5
120.01229	1.4
121.02966	7.8
125.02453	2.4
131.03503	7.4
135.04539	3.6
143.03485	1.8
147.04500	3.4
148.04848	2.1
149.04572	4.3
161.04565	7.0
179.03516	3.4
191.05699	1.9
233.06757	1.8
255.06738	2.0
267.06607	2.0
269.04535	2.0
269.08151	3.2
283.09665	1.6
285.04001	1.4
300.10181	7.8
312.10089	7.6
315.12418	34.0
325.56857	1.2
327.12360	15.3
331.17624	12.6
463.21906	100.0
464.22324	5.4
476.07855	1.9
477.17621	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	506.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03460	2.0
59.01390	31.8
61.92527	1.0
61.98837	3.6
69.18778	6.3
71.01389	33.6
73.02952	9.6
81.03416	1.0
83.01402	4.7
85.02959	13.4
87.00932	2.6
89.02451	19.5
95.01390	2.4
99.00885	3.6
101.02453	23.6
111.00906	1.8
113.02447	9.2
113.20845	1.1
115.04041	1.6
125.02480	2.3
131.03528	9.8
131.89421	1.1
149.04539	6.1
161.04584	12.6
191.05658	3.5
195.06642	2.0
209.08319	0.9
217.76511	1.2
224.24454	1.0
233.06760	1.7
238.26289	1.4
331.17581	13.8
342.30258	1.2
375.14346	1.2
375.23865	2.2
463.21915	100.0
464.22064	6.5
507.28195	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	506.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
71.70592	2.6
74.42429	2.2
78.95901	2.6
80.28050	2.4
89.51045	2.6
109.39255	2.5
132.33916	3.3
140.48502	3.2
143.83823	2.5
189.41982	2.7
257.08032	3.9
279.23306	13.3
280.23636	19.4
309.28033	15.0
322.58682	2.5
447.24701	3.1
448.25473	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	507.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
59.01384	15.4
69.03440	2.2
71.01385	6.4
71.05032	16.5
73.02949	3.2
75.00883	9.3
78.95876	2.0
83.01372	1.9
84.93858	1.8
85.02929	4.2
87.00871	1.4
89.02448	7.4
91.31689	1.5
95.55472	1.3
95.69039	1.4
96.96028	11.3
98.95605	12.7
98.96190	2.1
99.00880	3.6
99.04515	5.1
99.91980	2.6
99.92600	36.3
100.92675	2.1
100.93372	27.4
101.02472	2.6
104.71024	1.3
111.00895	3.3
113.02477	8.4
115.04008	17.2
115.54735	1.7
115.92093	30.5
116.03576	1.5
116.04356	3.7
116.92874	100.0
117.01950	8.0
117.05596	54.4
117.92877	3.9
119.03544	3.9
126.94958	2.6
128.56821	1.5
131.03490	6.5
141.93623	2.2
152.96428	2.6
164.96640	1.4
167.95229	5.2
168.96013	4.0
170.93811	1.5
179.05611	3.4
182.02264	1.9
191.05376	1.2
196.95461	6.3
197.04561	4.8
211.94188	2.6
226.96565	4.7
293.08725	7.6
338.98114	1.9
356.99219	1.7
359.00607	3.8
379.24377	2.0
425.68134	1.6
471.02365	40.0
472.02310	2.0
489.03879	2.7
507.04419	7.2
507.14044	1.7
528.40179	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09931	1.0
54.25806	1.1
55.31836	1.2
57.03435	2.1
59.01387	23.7
60.17148	1.1
61.98841	10.1
71.01395	16.4
72.99313	1.9
73.02951	4.7
75.00878	1.7
75.82753	1.3
83.01392	2.2
85.02949	5.1
88.00449	1.2
89.02451	11.4
93.03466	1.7
101.02467	14.0
108.02223	1.3
111.00909	1.2
113.02441	6.2
117.43573	1.1
123.04485	1.2
125.02459	3.4
131.03491	3.4
133.02966	1.3
134.03712	2.0
135.04520	3.5
142.74826	1.1
149.02528	1.9
149.04573	1.9
152.01190	1.5
153.80989	1.1
161.04561	3.0
165.05544	2.1
167.03534	1.9
169.10130	1.4
179.03577	1.3
181.06616	1.2
183.04495	1.6
189.72873	1.2
193.04997	1.5
195.06581	4.8
197.06133	4.2
208.05357	2.1
209.06079	3.4
209.08206	3.8
225.05605	17.0
236.04654	2.0
237.05586	4.8
241.05057	1.4
252.07979	1.8
253.05052	17.6
256.07523	1.9
261.84500	1.3
268.07520	6.4
269.04517	9.4
281.04529	3.9
282.05374	2.4
283.09787	3.8
284.06915	4.0
296.06818	10.6
297.04065	39.0
297.07373	2.2
297.11118	1.5
298.04370	1.6
311.05563	4.5
312.02963	2.3
312.06430	27.0
315.12476	2.1
327.08762	100.0
327.12131	3.6
327.21515	1.8
328.09116	4.6
373.57898	1.1
375.14566	5.1
375.19662	2.7
375.23935	4.5
507.11823	1.9
507.20758	4.0
507.28156	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
57.03444	1.9
59.01383	29.9
61.98831	12.2
62.73348	1.2
65.32639	1.3
69.18888	10.1
71.01385	23.6
72.47069	1.3
72.99318	3.0
73.02962	8.6
80.91691	3.2
81.30659	1.5
83.01395	3.0
85.02956	9.0
87.00887	4.4
87.05644	1.3
89.02464	15.2
98.21893	4.3
101.02451	12.9
109.02953	1.5
112.44855	1.8
112.55032	1.3
113.02484	7.2
116.92862	1.8
119.03526	2.0
121.02963	2.5
125.02472	4.2
128.03516	1.7
131.03505	3.8
134.03760	2.0
135.04521	4.7
137.02481	1.5
149.02396	3.9
149.04581	4.3
161.04622	2.7
167.03564	2.4
179.05582	1.6
181.06694	1.7
191.05591	3.0
195.06630	4.8
197.06133	4.3
208.05243	2.0
209.06110	3.7
209.08252	3.9
220.18373	1.6
225.05640	23.3
236.04697	2.1
237.05583	7.8
241.05043	1.6
253.05096	19.7
256.07410	2.2
268.07434	6.7
268.10141	1.7
269.04575	12.2
281.04590	4.7
282.05521	1.5
282.90686	1.6
283.06052	2.0
283.09808	3.3
284.06866	4.6
285.03989	2.4
296.06927	10.9
297.04105	36.1
297.07407	3.1
298.04449	2.1
311.05588	4.0
312.06448	27.0
312.09988	2.2
315.12308	2.0
327.08777	100.0
327.21735	2.9
328.09177	4.1
345.13486	2.7
375.14490	3.8
375.19556	1.7
375.23975	8.3
507.10947	2.3
507.21008	3.7
507.28156	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08021	0.6
59.01384	7.3
60.77132	0.6
69.39718	3.0
71.01397	2.5
79.44820	0.6
85.02949	1.5
87.00875	0.6
89.02461	1.8
95.03786	0.7
101.02434	1.9
104.05058	0.8
106.06630	2.1
109.02985	1.3
113.02479	1.1
122.06166	2.1
124.07697	9.5
125.02403	0.6
132.04567	29.9
133.05353	29.4
134.06155	5.8
147.04590	3.2
148.04886	2.0
150.03246	0.7
150.05629	2.2
154.55618	0.7
155.10864	0.7
165.04329	7.6
167.04475	0.6
171.38029	0.6
176.03551	1.8
176.07191	1.5
177.04317	7.9
178.05075	1.9
186.09273	2.5
187.08644	0.7
191.05737	0.7
192.40314	0.6
209.03288	2.4
213.06787	2.3
214.12527	3.1
215.11902	5.2
227.08223	0.8
229.09877	2.9
240.10501	1.1
241.09935	2.2
255.11436	1.9
257.12979	19.8
283.10895	11.0
284.11386	0.8
301.11993	12.1
327.09875	2.0
343.12750	0.8
345.10934	100.0
346.11261	4.6
387.12067	1.7
507.10147	0.9
507.16299	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	507.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00669	0.5
55.01875	0.7
59.01381	8.9
61.98835	0.6
64.82758	0.5
71.01399	4.5
85.02965	1.5
87.00861	0.6
89.02447	2.9
94.21474	0.5
95.01448	0.7
95.03777	0.9
96.00933	4.5
96.96014	0.5
101.02425	2.6
106.06643	1.8
113.02460	2.0
115.00367	1.7
119.03522	1.1
121.02963	0.7
122.06131	1.4
123.04576	0.7
124.06799	0.5
124.07678	7.8
129.10342	1.9
132.03073	1.2
132.04570	22.6
133.05353	21.1
134.06133	3.7
146.06113	1.4
148.04070	1.2
150.05630	1.4
153.09251	1.0
161.04504	0.8
165.04301	6.0
168.03160	0.6
176.03535	1.3
176.07251	0.7
177.04315	4.7
178.05064	1.1
186.09286	2.0
193.04961	0.5
197.08183	1.0
209.03320	2.1
212.02112	0.8
212.05977	0.7
213.06693	0.9
214.07538	0.6
214.12250	3.2
215.11923	4.5
226.07684	0.6
229.09819	2.5
240.08890	0.8
240.10580	0.9
241.09901	2.0
255.11401	1.3
257.12982	15.8
257.15570	1.1
258.13306	0.8
276.17123	1.3
283.10898	7.5
301.11938	8.3
327.10004	1.7
345.10965	100.0
345.15390	9.1
346.11240	5.3
387.11804	0.6
489.20020	0.7
507.16016	7.5
508.16910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.2
59.01386	100.0
59.60939	2.2
61.98843	19.4
66.21751	2.3
69.03458	12.3
69.10600	16.2
71.01385	32.6
73.02942	19.5
75.00903	2.5
79.73504	2.2
83.01402	22.8
85.02956	10.3
85.06596	76.3
85.11530	2.2
87.00867	2.5
89.02425	14.0
95.01358	4.1
99.00887	3.0
101.02454	33.4
110.92881	2.9
113.02453	41.2
113.06074	19.1
115.04018	18.8
118.04231	4.5
119.03471	7.8
121.02965	4.0
122.03764	4.4
125.02471	3.8
129.05591	9.3
131.03513	5.7
135.04503	6.0
135.32640	2.2
139.03998	4.1
143.03545	3.6
147.04456	3.6
149.02449	18.8
149.04555	2.5
150.03232	23.1
157.05060	8.9
161.04553	9.6
162.03229	5.2
164.04771	10.7
165.05569	29.1
171.06529	4.7
171.10350	3.4
177.01941	7.5
179.03500	4.4
181.11430	2.3
189.01921	3.5
189.07693	30.3
190.02710	27.8
191.03543	18.3
193.01462	4.4
195.06650	22.1
203.03456	17.0
205.01526	2.5
208.03772	10.6
222.01668	4.7
223.06146	32.8
229.05087	3.7
229.07195	6.4
231.08749	2.3
243.06743	2.9
293.83484	2.6
327.12311	10.2
344.12344	3.3
345.13406	82.2
346.13748	3.9
371.11603	3.3
375.14432	4.7
375.19626	3.0
419.13492	4.0
437.38275	2.7
464.22073	4.8
507.18683	71.8
507.27554	19.1
508.19336	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	507.1876
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03458	0.8
59.01381	6.1
61.98836	3.8
71.01383	4.2
72.99358	0.5
73.02940	2.3
75.00893	0.7
83.01389	0.8
85.02953	2.1
87.00895	1.0
87.36766	0.5
88.98836	0.6
89.02443	1.8
99.00850	1.1
99.04512	0.8
101.02468	2.8
108.02212	0.5
109.02935	0.7
113.02426	1.1
118.04252	2.2
119.05018	1.7
121.02920	0.8
125.02472	1.0
129.89491	0.5
132.02211	0.8
133.02983	0.9
134.03731	0.7
135.04541	1.0
145.02948	1.2
147.03514	0.5
147.04539	2.9
148.74149	0.5
149.02440	0.6
151.54161	0.4
161.02452	1.0
161.04596	1.2
162.03271	2.9
171.10315	2.9
172.05295	0.9
176.01138	1.5
177.01944	4.9
179.03513	0.7
185.06055	0.7
187.07687	2.2
189.01953	2.3
190.02716	10.9
191.03508	12.1
192.00623	2.5
199.07660	0.6
200.04828	1.6
203.03520	4.4
204.00656	9.1
205.01436	11.6
206.02185	2.6
213.14940	0.8
215.07101	2.8
216.00620	0.9
216.07689	0.6
217.01416	4.4
218.02228	4.8
219.02779	0.7
222.01686	2.2
229.01469	1.0
229.05093	1.4
230.05843	1.2
231.06595	6.6
241.05115	1.4
243.06625	2.0
244.03654	1.4
245.04585	1.9
245.08234	0.7
246.05283	1.0
250.68726	0.5
257.08118	1.1
259.06119	53.5
260.06549	3.5
269.04727	0.7
273.07727	0.9
285.07819	0.7
287.09247	1.7
315.12314	0.8
317.14050	1.0
327.12372	2.8
328.12729	0.7
329.13824	1.2
343.11804	1.0
343.15472	0.7
344.12650	41.9
345.13428	100.0
346.13770	5.3
375.20172	1.1
375.23959	2.8
477.18631	0.6
507.18747	37.2
507.27811	8.7
508.18985	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1875
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.73880	0.4
57.03477	0.5
59.01389	1.8
61.98836	0.6
65.72110	0.4
70.96826	0.7
71.01393	2.4
73.02953	0.7
78.95936	0.6
85.02969	1.0
89.02473	0.6
94.67949	0.4
101.02467	1.6
113.02457	0.5
122.03758	0.5
134.03729	0.6
150.03232	0.5
155.10609	0.4
161.04616	1.0
172.05354	1.1
176.01190	1.5
177.01953	6.8
178.02876	0.5
179.07164	0.7
187.07695	2.1
189.01982	1.6
190.02788	1.0
192.00693	2.1
200.04791	2.4
201.05536	0.6
204.00632	5.4
205.01427	23.7
206.02208	8.4
213.05736	0.5
215.07129	6.0
216.04332	0.5
216.07933	0.9
217.01424	11.1
218.02223	6.2
219.03006	1.2
231.03094	0.8
231.06596	3.3
232.03757	0.7
241.05176	1.1
242.05838	0.8
243.06691	1.2
244.03824	0.6
245.04575	1.6
246.05319	4.0
259.06128	40.5
260.06830	8.8
267.19672	1.5
273.07773	1.5
283.13116	0.7
284.03201	0.5
293.17685	0.8
301.14459	0.7
317.14029	1.6
327.12418	3.1
343.11957	1.9
344.12646	13.5
345.13443	100.0
346.13760	5.9
357.13474	1.0
507.18744	67.4
508.18362	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	507.1872
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01378	4.8
61.98836	7.0
68.46365	1.2
69.65537	1.1
69.65874	4.5
71.01402	2.7
91.18550	1.1
105.03446	2.2
108.02171	1.6
124.01605	1.3
127.57191	1.1
133.02956	2.0
135.04536	2.1
136.01668	2.0
139.04027	3.2
147.04456	1.4
149.02403	2.0
150.03242	1.3
151.04030	2.5
152.01083	2.7
159.08104	1.6
161.02414	3.7
167.03510	2.9
169.46034	1.2
173.06088	4.3
176.01164	1.9
177.01917	23.2
178.02431	1.6
179.03500	2.0
184.87219	1.1
185.06050	2.9
187.07643	1.9
189.01855	6.2
190.02734	3.7
191.03473	3.1
192.00620	4.3
200.01146	3.0
203.03528	2.6
203.07104	2.0
204.00627	3.8
205.01431	18.1
206.02171	3.3
213.05608	2.7
217.01398	9.4
217.05154	6.2
218.02280	2.5
231.06630	3.9
245.04568	35.1
246.05020	2.8
247.05991	1.5
256.07526	1.4
257.15756	1.4
259.06107	3.9
268.68784	1.2
269.04562	1.4
301.14633	2.7
316.13144	47.8
317.13620	2.9
327.12329	5.5
344.12653	79.7
345.13412	66.2
345.17725	1.6
346.13821	3.8
357.13425	1.4
387.14487	1.6
507.18723	100.0
508.19235	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	507.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	36.1
61.98840	5.5
69.26560	4.9
69.26946	6.6
71.01389	13.7
73.02951	4.0
74.61806	2.4
79.95438	2.3
81.17948	2.1
82.95432	5.6
84.99345	3.1
85.02983	3.7
87.00903	15.3
89.02475	9.2
101.02438	6.4
103.00383	7.4
109.02962	4.3
112.74149	2.5
112.98833	45.5
113.02460	5.3
116.07179	7.8
121.03052	2.7
128.99173	3.1
130.99849	2.8
133.02957	8.2
134.03754	8.5
135.04544	96.6
135.24158	2.3
136.04845	3.0
137.02513	3.4
139.00342	4.3
146.65839	2.1
149.00974	3.5
149.02451	2.5
159.04507	4.6
161.02489	20.4
163.04031	9.6
169.06012	18.3
177.05598	3.4
179.03525	69.1
179.13919	3.0
180.07982	12.9
183.13892	7.4
191.03439	6.0
191.39444	2.3
195.13924	7.2
204.39230	2.5
211.13348	4.9
213.05075	4.7
213.14989	100.0
214.15340	2.4
219.03008	21.1
223.09828	15.5
261.26370	2.2
269.08063	2.5
275.02063	2.5
277.05115	2.5
293.03131	23.2
295.58160	2.5
308.18707	4.0
309.18863	4.2
330.90756	2.7
345.15570	45.0
375.18085	9.9
385.90628	2.3
441.13345	2.7
462.16553	2.9
474.16644	3.5
477.19305	22.7
489.19162	13.7
507.19891	3.6
507.35397	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	507.1877
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
59.01381	5.8
61.98811	0.8
69.00137	0.5
71.01384	2.8
71.44115	0.5
73.02945	1.0
73.85554	0.6
74.43348	0.5
79.05522	0.6
85.02949	1.4
87.00873	1.3
89.02460	2.2
93.03454	1.6
98.21916	1.8
101.02444	1.8
109.02969	1.1
112.25755	0.5
112.80998	0.5
113.02458	1.0
121.02972	23.0
130.08734	0.5
135.04559	2.2
141.98996	0.5
145.02983	2.7
147.04517	1.9
148.04854	1.4
152.52373	0.6
155.10765	0.9
161.02547	0.8
203.47713	0.6
225.05434	0.7
238.06361	0.7
239.07184	1.3
240.04286	1.2
241.05074	0.8
253.05109	0.9
253.08662	1.0
255.06645	5.5
256.07431	1.1
256.10892	0.8
267.06638	7.1
268.07251	0.9
269.08185	5.0
270.08817	0.6
273.82639	0.6
279.51218	0.6
281.08319	0.6
283.09811	2.1
284.06815	0.6
284.10678	1.1
293.50098	0.5
295.09872	1.8
299.09232	2.8
300.10068	22.5
301.10583	1.1
311.09436	0.7
312.10077	27.2
313.10425	1.4
315.12408	100.0
316.12802	5.7
327.12402	39.6
328.12869	2.5
345.13364	1.6
462.15549	0.8
464.22659	1.0
472.21094	1.0
474.15677	1.3
477.17700	10.0
478.18042	1.3
489.17841	3.7
507.18863	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	507.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	23.6
60.56825	1.2
61.98827	5.0
71.01390	15.8
73.02931	2.2
85.02955	4.5
87.00893	4.2
89.02457	20.8
90.44165	1.3
93.03474	3.4
95.32312	1.3
101.02456	13.1
101.59509	1.3
113.02459	4.1
119.03489	2.3
121.02966	21.9
131.03526	6.3
133.02979	1.6
135.04520	3.7
145.02939	4.4
146.03691	2.0
147.04474	1.3
149.02550	1.6
149.04572	18.0
150.03218	4.3
151.04021	3.5
166.06355	2.2
179.03503	2.3
181.05095	1.7
181.08833	1.8
190.05093	7.8
191.05574	4.2
195.06606	2.7
211.07750	1.5
223.06044	1.8
239.07191	3.7
253.05049	3.8
253.08876	2.0
255.06599	6.0
256.11050	4.0
267.06668	16.8
268.07211	2.4
269.08105	4.2
281.08206	2.1
283.09750	5.4
284.10461	3.9
295.09711	4.2
299.09308	2.5
300.10013	23.6
311.09286	3.6
312.10049	63.6
313.10233	4.0
315.12411	100.0
316.12701	5.3
327.12405	92.6
327.15405	1.2
328.12686	6.7
345.13058	3.8
464.22208	6.8
477.17636	13.2
487.25589	1.5
489.17667	3.2
507.20996	2.5
507.28107	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	507.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.3
57.03450	15.9
58.10943	1.7
59.01385	82.9
61.98829	7.0
69.74748	3.7
69.75114	3.3
71.01389	78.8
72.99315	2.1
73.02956	25.6
83.01392	12.3
85.02956	43.8
87.00867	4.0
89.02454	29.6
95.01387	6.8
97.02945	3.4
98.21917	2.4
99.00877	9.6
99.04530	6.4
101.02453	63.8
111.00887	3.8
113.02464	31.2
119.03500	9.0
125.02431	3.4
143.03537	3.2
159.03099	8.4
161.04562	38.6
169.06046	6.8
179.05588	3.9
213.05154	2.5
213.15015	4.1
282.40158	1.8
345.30142	19.7
363.23764	2.3
477.35913	2.0
507.19888	6.9
507.35455	100.0
508.35843	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	507.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98180	1.7
59.01383	26.5
69.32949	4.9
69.33352	3.6
70.98921	1.7
71.01383	18.1
73.02951	3.4
74.61498	1.6
74.76881	1.4
83.01429	3.2
85.02966	4.6
88.04048	5.1
89.02444	11.1
95.01391	1.9
96.00922	37.3
98.22699	1.7
101.02455	9.6
113.02464	7.0
115.00378	13.5
118.50813	1.4
119.03513	2.7
121.10233	1.8
124.07686	6.2
127.05148	1.5
128.03473	2.0
129.10370	13.1
132.03009	8.4
132.04556	19.9
133.05367	17.9
134.06114	3.7
135.04526	2.5
146.06137	5.9
153.09213	4.0
165.04253	4.8
168.03004	10.5
177.04254	3.7
196.14395	1.7
212.02040	4.2
214.12372	2.4
215.11937	4.2
229.09792	3.7
255.11487	2.1
257.12988	12.3
276.17151	6.4
283.10837	4.2
301.11859	9.6
345.10913	100.0
345.15485	36.0
346.11310	5.3
346.15460	2.4
373.18817	1.8
460.60077	2.0
489.20099	15.1
507.15973	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	507.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07874	0.4
55.70490	0.4
57.03435	0.5
58.00584	0.6
59.01384	34.9
61.98811	0.8
62.24952	0.4
70.89066	0.5
70.89429	0.5
71.01383	14.4
72.99287	0.5
73.02947	1.1
81.03474	0.6
83.01396	1.2
85.02956	3.1
87.00894	5.4
89.02451	14.3
95.01376	1.4
101.02454	9.2
103.00398	0.6
112.98820	1.2
113.02467	6.3
119.03520	4.3
130.99834	0.6
131.03506	0.4
149.00963	0.9
149.04520	1.0
150.03148	0.4
179.03467	0.8
195.13922	7.8
195.45837	0.5
213.15031	2.2
240.34465	0.4
243.91739	0.4
285.03958	0.5
321.04376	0.4
326.78308	0.5
375.20248	100.0
376.20602	5.3
396.40005	0.5
489.16486	0.5
507.20789	1.4
507.28104	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	507.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61751	2.9
54.75949	2.8
55.01891	4.1
59.01386	70.9
61.98838	5.0
64.56198	3.1
69.21817	6.9
69.22218	11.5
69.54162	2.9
71.01383	47.5
73.02948	5.6
75.00896	4.8
81.52364	3.3
83.01376	3.7
85.02958	14.1
87.00876	2.8
88.04045	6.0
89.02454	34.3
95.01389	4.3
96.00918	40.5
98.22646	6.8
99.00921	3.0
101.02444	27.0
113.02445	15.4
114.10459	3.0
115.00404	14.4
119.03507	15.9
120.01278	8.8
124.07661	3.0
129.10359	15.9
131.03471	4.0
132.03062	7.8
132.04565	15.8
133.05359	11.2
146.06116	8.5
147.73483	3.4
150.03178	4.2
153.09225	4.2
156.48515	3.5
165.04253	6.0
168.03069	10.9
179.05486	3.2
185.41003	2.8
186.05539	2.8
191.05481	4.6
214.24030	3.8
257.12878	9.5
276.17139	6.8
283.10825	3.6
297.75153	3.4
301.11880	5.4
339.83670	3.2
345.10934	53.3
345.15515	100.0
346.15814	5.3
368.33942	3.4
394.46683	3.5
404.83487	3.8
489.20364	10.0
507.22244	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42234	0.5
55.72721	0.7
56.64922	0.5
58.06865	0.6
59.01381	3.2
61.96836	0.5
61.98836	0.9
62.22343	0.6
71.01377	2.2
74.58783	0.6
77.00835	0.5
81.32342	0.6
81.96948	0.7
93.03476	0.9
93.08639	0.6
101.02464	1.1
107.05024	0.8
113.02491	0.9
118.04224	1.1
118.71046	0.6
133.02992	0.7
135.94107	0.7
145.02948	1.7
161.02505	0.9
162.03194	1.3
171.08217	1.1
173.12904	0.7
177.01895	1.2
187.07687	0.9
189.01970	5.0
190.02715	9.3
199.07687	7.0
200.08325	0.9
201.02008	1.4
203.03506	1.3
206.02063	1.6
209.36447	0.6
215.07176	1.2
222.01714	2.5
227.07129	1.6
229.05072	3.4
230.05869	1.4
243.06631	46.2
244.07335	9.2
245.08324	0.8
257.08188	3.7
271.09711	1.4
278.40689	0.7
287.09146	1.1
299.12845	1.2
312.13745	1.5
313.14459	12.2
314.15097	1.5
327.15991	1.7
329.14041	2.5
330.14682	1.1
331.15530	14.5
332.16031	0.9
345.13409	2.1
345.17245	1.2
359.15015	5.5
373.16550	4.2
394.84290	0.7
397.61554	0.7
475.19971	0.8
488.43866	0.8
492.20087	3.0
507.22415	100.0
508.22766	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	507.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
57.03435	2.1
59.01384	51.3
60.90145	1.1
61.98842	6.2
68.41283	1.1
69.03434	1.3
69.45573	2.5
69.45969	2.4
71.01388	41.4
71.46678	1.1
72.99279	1.6
73.02949	10.1
80.71967	1.0
83.01409	5.5
85.02966	13.0
87.00887	3.6
88.98814	1.2
89.02449	23.9
95.01367	1.7
98.22685	1.6
99.00869	3.3
101.02451	30.1
102.40580	1.0
112.98823	8.8
113.02457	14.3
118.28343	1.1
119.03517	1.5
125.02453	2.9
126.73725	1.1
129.85234	1.0
131.03511	12.0
135.04556	2.4
143.03491	2.5
149.04533	4.6
155.70346	1.1
159.02992	2.5
161.04558	10.0
164.61528	1.0
179.03529	2.5
191.05609	1.9
201.05580	3.0
206.01021	1.2
233.06573	1.5
283.19293	1.3
301.20258	4.0
307.04688	1.4
315.18134	18.6
351.41760	1.2
375.23608	5.6
447.22354	100.0
448.22559	7.9
464.46121	1.4
467.53021	1.4
507.27417	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	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75176	0.4
59.01389	0.5
61.98829	1.0
64.76666	0.4
68.26801	0.4
70.48768	0.9
72.78993	0.4
78.95909	8.8
78.96339	0.7
88.78448	0.4
90.31733	0.3
96.96982	0.5
98.22522	0.4
152.99603	15.7
160.59470	0.4
171.00703	1.1
203.00449	0.4
227.03246	2.5
245.04335	1.7
279.23312	100.0
280.23691	5.7
303.73477	0.4
433.86731	0.5
507.27307	25.3
508.27676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2814
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
55.01639	0.4
55.01884	4.7
57.03454	3.3
58.00598	0.4
59.01387	31.7
61.98831	0.8
69.03450	1.6
69.18251	1.9
71.01389	42.9
71.05032	0.3
72.01733	0.4
72.99312	0.7
73.02953	25.8
75.00876	1.2
81.03462	1.2
83.01395	9.0
85.02959	21.9
86.00095	0.9
87.00896	2.7
88.10068	0.3
89.02457	11.3
95.01389	3.4
97.02968	2.3
99.00894	7.9
99.04539	0.4
101.02454	37.8
102.02753	0.4
109.02972	0.4
111.00906	1.5
113.02463	17.0
115.04024	1.7
119.03499	0.6
125.02463	3.7
129.01944	0.7
131.03510	3.1
135.04575	0.4
141.01942	0.3
143.03516	2.0
149.04555	2.5
159.03003	3.0
161.04575	16.4
162.04869	0.5
162.95470	0.4
191.05586	0.8
195.06660	0.5
213.18611	0.3
215.05475	0.3
229.04958	0.3
233.06670	2.6
293.08835	1.8
327.08875	0.7
327.21863	0.3
375.23886	41.8
376.24271	2.0
388.57266	0.3
507.28149	100.0
508.28458	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	507.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.2
57.03460	4.5
59.01387	36.2
61.98826	1.3
69.03471	1.2
69.20171	3.4
71.01392	39.1
72.99321	1.4
73.02953	20.7
75.00886	1.3
81.22305	0.6
83.01398	7.1
85.02958	18.5
86.00108	1.1
86.04994	0.5
87.00892	6.5
89.02454	15.3
93.03474	1.0
95.01398	3.0
97.02988	2.7
97.06590	2.2
98.22655	0.9
99.00900	7.9
101.02457	35.0
111.00903	1.2
111.77944	0.5
112.15812	0.5
113.01713	1.1
113.02465	15.3
115.04025	1.5
119.03519	2.4
121.02939	0.6
125.02454	3.2
127.11307	0.6
129.01945	0.9
131.03542	3.0
135.04553	0.8
137.02463	1.2
137.09683	0.9
139.07692	1.2
143.03519	1.7
149.04578	4.1
153.12842	0.6
155.10805	3.3
157.08682	1.5
159.02977	2.2
161.04578	13.4
183.13873	2.5
185.11928	1.1
191.05672	1.7
195.10315	0.8
199.13475	0.7
233.06712	2.1
252.48381	0.6
293.08896	1.3
327.21738	1.7
329.23318	1.2
357.26633	1.7
375.23700	22.6
375.27591	93.2
376.24112	1.2
376.28217	4.5
438.88824	0.7
480.24579	0.6
507.28192	100.0
508.28375	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	507.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11140	0.9
59.01365	1.6
61.98822	1.9
69.62388	1.8
69.62772	3.0
80.97345	0.9
81.22258	1.0
88.84374	0.9
102.98239	0.9
108.76026	0.9
117.03479	21.5
118.04230	2.9
119.05032	30.1
120.47010	0.9
121.02966	1.8
145.02965	100.0
158.24278	1.0
163.04021	22.0
189.01912	0.8
190.02687	2.8
269.21082	1.1
270.59180	1.0
287.22308	7.6
306.21756	1.0
343.15417	1.9
415.24954	14.0
416.25510	1.4
417.07788	1.2
425.14645	1.4
433.20456	1.7
433.25964	20.3
434.26373	2.1
491.22977	0.9
507.09518	1.9
507.29568	65.2
508.29858	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	507.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.2
56.30944	0.3
57.03452	5.0
57.91469	0.4
58.00599	1.7
59.01384	88.7
60.01730	0.4
61.98835	1.1
67.01895	0.6
69.03456	0.8
71.01386	100.0
71.43928	0.5
72.01719	0.6
72.99324	2.4
73.02952	23.5
75.00883	1.2
81.03471	0.7
83.01392	8.4
84.02192	0.5
85.02957	34.9
87.00886	4.0
87.04513	0.5
89.02451	45.8
90.02835	0.4
95.01397	7.3
97.02966	2.3
98.10814	0.3
99.00887	9.2
99.04564	0.4
101.02451	61.0
102.02809	0.9
104.68285	0.4
111.00909	1.2
113.02460	40.1
115.04026	0.5
119.03512	18.0
125.02441	2.4
128.80515	0.3
129.01941	1.1
131.03505	2.0
143.03516	5.9
143.10826	0.7
149.04555	2.0
159.03001	6.9
159.04248	0.6
161.04568	40.7
162.04918	0.8
162.06929	0.6
171.07861	0.5
179.05615	6.4
276.83218	0.4
299.25925	1.2
345.30096	16.2
346.30563	0.8
489.34341	0.6
507.35410	46.7
508.35767	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	507.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.6
57.03456	4.7
58.00600	0.7
59.01384	48.6
60.01719	0.4
61.30584	0.4
61.98840	0.9
69.03455	0.8
69.14462	2.0
69.14874	0.7
71.01388	61.9
72.01725	0.5
72.99314	1.3
73.02953	23.4
75.00883	1.5
81.03452	0.4
83.01394	10.7
84.02156	0.6
85.02956	30.5
87.00887	3.7
89.02452	18.4
95.01396	5.6
97.02953	1.8
98.21912	0.9
99.00284	0.6
99.00895	7.4
101.02451	48.8
102.02762	0.4
111.00887	2.5
111.75649	0.4
113.02459	27.9
119.03516	6.3
125.02444	2.2
129.01981	1.5
131.03500	0.9
141.01888	0.6
143.03516	3.6
143.10843	1.2
149.04605	0.6
157.10356	0.4
159.03012	6.2
161.04576	27.9
169.06044	3.2
179.05621	1.7
185.47987	0.4
197.15482	0.8
213.05032	0.8
283.22922	0.7
299.25903	2.5
318.80109	0.4
345.30106	17.0
346.30606	0.8
374.05948	0.4
507.35422	100.0
508.35712	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	508.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43711	0.2
59.01377	1.6
61.98836	100.0
69.47602	1.4
71.01395	1.0
73.02952	0.4
77.83836	0.3
85.02952	0.4
89.02491	0.3
96.96027	0.3
101.02454	0.5
113.02440	0.3
117.53797	0.3
125.02470	0.4
131.03763	0.3
135.04547	1.0
155.10802	1.0
165.05714	0.3
190.05142	0.9
195.06735	0.3
199.09787	0.5
203.40263	0.3
294.65842	0.3
301.98587	0.3
302.02048	0.3
391.03433	0.3
461.18433	1.3
509.19339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60537	3.8
59.46698	3.8
62.38390	3.9
71.42966	6.1
80.10555	3.8
91.25812	3.6
92.27016	4.1
104.04387	4.2
120.07497	4.5
133.02979	51.5
165.05577	5.1
197.22993	4.4
209.08534	4.6
222.05434	4.5
234.05571	15.0
235.06331	8.0
236.07256	5.5
250.05103	10.3
252.06674	29.7
278.04636	30.1
279.05429	13.0
280.06146	30.0
284.09387	9.0
310.07294	30.9
311.07883	7.9
312.08789	100.0
313.09192	6.7
472.12683	4.1
508.20816	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	509.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80439	2.0
59.01375	5.6
61.98839	8.6
69.03454	2.7
69.45522	1.5
71.01393	8.1
75.00861	3.3
81.47025	1.7
85.02951	2.5
89.02424	3.5
97.02975	4.8
101.02445	3.6
109.02959	45.1
111.00843	1.9
111.34908	2.0
113.02481	2.2
118.98106	8.5
132.04601	2.9
133.02959	5.5
135.04538	100.0
143.05029	4.8
147.04544	2.6
148.05283	4.0
149.06097	51.2
151.03970	2.9
155.03496	2.2
161.02377	3.1
161.06091	27.6
163.03865	1.9
163.06216	2.0
163.07631	5.2
165.05582	5.0
171.04521	7.8
173.06087	1.8
174.03241	10.0
177.05621	9.2
179.03534	5.8
188.04764	2.9
189.05583	74.4
190.05873	2.1
191.03592	2.5
191.07103	2.5
195.06717	1.9
201.05585	2.7
207.06645	64.5
219.06566	3.2
221.04498	13.5
231.06657	9.3
235.06143	8.3
239.05632	7.7
249.07613	4.4
251.05637	3.9
271.08084	3.3
297.09726	4.3
311.07779	15.1
311.11197	4.0
369.12009	13.3
383.09885	5.0
393.11575	2.3
397.11325	2.4
401.10754	9.4
411.12830	2.9
413.10913	57.5
414.11261	3.5
415.12527	4.2
443.12039	10.5
455.11786	4.4
466.60150	2.1
473.13040	31.8
474.13324	4.3
509.09839	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	509.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98024	0.9
59.01381	2.0
61.98850	1.9
63.96231	1.3
69.56272	1.1
69.56692	0.7
71.01376	1.0
72.99313	0.4
73.02953	0.4
74.99097	3.0
80.02689	0.9
80.67948	0.4
82.99621	1.4
85.02949	0.7
86.99092	0.9
87.00888	4.0
89.02457	0.8
92.02674	0.7
93.03428	0.9
93.98836	0.5
94.49667	0.3
95.01401	4.8
98.22648	0.8
101.02407	0.8
102.05084	0.4
107.01350	0.9
108.02174	2.3
109.01178	0.7
110.99119	8.2
113.02456	1.0
119.05108	0.4
121.02977	1.7
122.99139	2.7
123.00896	1.4
123.99893	33.9
125.00658	0.5
126.98619	0.7
135.04523	0.9
136.01672	0.6
137.00690	2.3
138.98582	1.4
139.99419	0.6
150.98619	1.6
153.00182	0.8
154.98091	3.3
155.10770	0.7
162.03218	0.5
163.04018	0.5
167.98877	31.7
168.99219	0.8
179.03572	0.7
182.07356	0.6
190.02707	0.9
191.03569	0.8
203.07187	0.3
210.23766	0.5
213.03857	0.9
215.05484	1.9
227.07169	2.1
237.04346	0.6
241.03236	0.4
249.06140	3.5
259.04340	100.0
260.04642	5.2
288.13705	0.9
303.16052	1.9
329.04941	0.8
329.13797	0.6
346.13599	0.5
347.15018	7.3
348.15271	0.4
364.13535	0.4
509.11963	0.5
509.20303	2.6
509.27182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00657	5.2
58.08674	4.6
59.01377	18.9
61.98835	20.2
71.01402	16.1
71.41067	7.1
73.02911	4.7
80.14026	4.6
83.01405	10.9
85.02962	6.8
87.00871	5.4
89.02464	9.4
96.96026	16.5
96.96970	11.4
108.02164	6.3
109.02985	28.7
113.02425	7.7
121.02972	17.7
123.04565	8.3
124.01663	5.3
125.02466	39.0
132.85950	6.2
133.02975	10.0
135.04503	26.0
137.02472	45.5
138.10963	5.2
147.04483	7.1
149.02429	19.1
150.03209	11.5
151.04095	5.6
159.04544	11.0
160.04097	6.2
161.02426	19.6
164.01173	6.9
165.01913	15.2
169.70808	5.1
172.05276	7.6
173.06117	13.1
175.04019	33.8
177.01962	9.2
177.05624	8.5
179.03413	7.6
183.04619	6.4
191.07204	6.7
199.04036	8.1
201.05556	12.2
215.07195	8.6
217.05009	10.3
225.05600	6.9
243.06628	14.0
257.96313	5.1
259.06119	54.9
268.56143	5.7
268.96368	6.2
269.04507	31.8
287.05649	100.0
288.05948	6.4
289.07208	18.3
422.24103	5.5
446.13782	18.9
449.11237	16.8
477.17892	5.6
491.65076	6.8
509.15576	6.7
509.22455	25.3
525.92212	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	509.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09065	7.9
54.54805	8.5
55.71954	8.7
59.01382	81.5
61.98828	23.6
66.06613	8.3
71.01392	63.4
73.02958	17.7
79.01899	21.3
85.02945	33.5
89.02449	57.7
96.96009	13.0
97.02962	8.9
99.00832	11.3
99.01456	10.2
101.02453	37.4
111.00912	24.1
113.02450	14.3
116.92898	12.9
121.02940	16.2
125.02490	15.5
131.03448	14.6
133.03008	13.8
135.04506	22.2
139.00349	25.5
140.01172	85.4
141.73480	8.7
149.04524	30.8
155.03496	100.0
161.04605	13.6
162.03149	12.6
177.05548	32.0
179.03476	16.1
221.04523	19.9
293.08731	26.5
311.07724	37.1
383.09344	11.5
449.13086	90.5
473.12802	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	509.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82711	1.0
55.01873	2.4
57.03414	1.2
58.00559	1.5
58.01260	1.1
59.01384	81.5
61.98810	5.0
69.25034	7.6
70.91760	1.1
71.01384	46.3
72.01710	1.2
72.99288	2.9
73.02953	10.3
75.00889	5.8
83.01375	3.4
85.02954	9.8
87.00848	3.9
88.98819	1.1
89.02452	54.0
93.03469	1.5
95.01375	2.7
98.21894	2.8
99.00867	2.5
101.02451	29.6
113.02468	18.4
119.03524	17.5
119.04877	1.3
120.99612	4.5
125.02410	1.1
125.18983	1.1
129.01895	5.0
131.03455	4.8
133.02998	2.4
134.03703	2.2
135.04482	3.6
137.09766	8.9
143.03448	4.8
149.04555	8.7
155.10799	100.0
156.11060	2.7
161.04616	6.0
161.08118	1.1
163.03987	1.7
165.03995	3.5
177.01874	2.2
179.03375	2.5
179.05643	18.0
181.08789	1.8
191.05576	3.2
199.09782	66.5
202.40331	1.2
225.22508	1.2
227.12688	1.5
233.06732	1.4
271.86279	1.4
282.25275	1.2
309.08289	30.5
310.08560	1.7
311.05084	1.2
329.12308	3.9
347.16971	5.4
371.61780	1.3
377.21637	4.7
411.54132	1.4
449.19656	3.2
461.46857	1.5
463.21484	4.3
508.30927	1.4
509.18475	75.5
509.30020	2.9
510.18951	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58464	0.2
52.65990	0.2
58.78056	0.2
59.01384	2.5
61.98838	3.2
62.18119	0.2
66.87967	0.2
71.01392	1.2
73.02951	0.7
75.00869	0.3
81.03483	0.2
87.00858	0.3
89.02447	0.8
100.99646	0.2
101.02451	0.8
109.02958	0.5
113.02464	0.4
118.04265	3.0
118.98147	0.4
119.05059	0.2
120.99631	0.2
131.03555	0.3
132.02199	1.1
134.03752	0.5
135.04507	0.5
145.02945	0.3
147.04541	0.6
149.04578	0.3
153.09250	1.6
160.04028	0.2
161.02438	0.4
162.03244	3.5
165.05595	0.8
169.69910	0.2
176.01208	0.3
177.01970	0.7
185.06099	0.5
189.02014	0.6
189.05621	0.2
190.02737	13.4
191.03345	0.4
191.95331	0.2
197.08212	2.7
197.09863	0.3
199.07663	0.7
202.06308	0.2
203.03551	0.6
219.02998	0.4
222.01718	1.7
225.05573	0.3
227.03625	0.4
229.05070	2.9
230.05818	2.6
243.06622	1.5
244.07181	0.5
259.09717	0.5
273.07919	0.2
279.02914	0.3
283.02213	0.2
284.03293	0.4
285.04053	0.6
295.02808	0.2
303.16113	0.6
321.03857	0.5
329.13937	0.8
345.13489	0.8
346.13953	0.6
347.15018	100.0
348.15366	6.3
348.19553	0.4
377.20731	0.4
387.11127	0.3
419.53619	0.2
447.09088	0.9
463.21756	0.3
473.08673	0.5
509.20782	1.8
509.29700	4.0
510.30569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2031
Annotation	Lactoside B
Peak:m/z	Relative Intensity
52.39961	0.4
53.10579	0.5
57.56131	0.5
59.01386	5.4
61.98830	6.1
70.50122	0.4
71.01380	2.8
72.17319	0.5
73.02947	0.9
85.02949	1.2
87.00883	0.5
89.02420	1.6
99.69680	0.5
101.02452	1.6
105.03440	0.6
107.01334	0.5
108.02165	2.0
109.02959	0.6
113.02464	1.3
118.04263	3.2
119.05021	0.6
121.02936	1.3
122.03743	0.6
123.04522	1.6
125.02443	0.8
129.91058	0.5
132.02220	2.2
133.02995	2.5
134.03755	5.5
135.04556	3.5
137.02409	1.5
145.02985	0.5
147.04538	1.3
149.01059	0.5
149.02377	0.6
149.06064	1.5
150.03220	2.0
150.74052	0.5
151.00421	2.6
151.04092	0.7
152.01190	2.7
161.02507	4.0
161.06065	0.5
162.03259	3.6
163.04021	0.8
165.05528	0.5
167.03520	3.2
177.01926	0.8
178.02730	2.3
179.03519	3.8
185.06126	1.2
189.01933	0.6
190.02725	20.3
191.03236	1.1
193.05063	5.2
199.07605	1.9
203.03519	0.8
203.07196	0.5
222.01732	3.9
229.05052	2.8
229.08578	1.0
230.05891	4.3
231.06706	0.6
243.06619	5.0
244.07207	0.5
257.08191	1.6
263.09076	0.6
269.04495	1.4
270.04831	0.6
284.03268	0.5
285.03998	1.1
285.15091	1.3
288.13586	1.5
300.02744	1.2
301.03497	2.9
303.15964	2.0
329.13968	57.1
330.14236	3.3
347.14932	7.0
348.15430	0.5
377.22238	0.5
447.09332	6.0
509.20352	100.0
510.20697	8.6
519.30902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2033
Annotation	Lactoside B
Peak:m/z	Relative Intensity
59.01386	8.1
59.16231	0.3
71.01386	2.8
85.02951	1.1
85.48951	0.3
89.02457	1.9
89.64108	0.4
95.01395	0.4
101.02453	1.3
113.02486	0.9
118.04262	4.1
119.03568	0.5
132.02170	1.1
134.03726	1.3
162.03218	3.9
176.01192	0.8
179.03525	0.4
185.06082	1.1
189.01929	0.3
190.02727	16.6
191.03207	0.4
199.07646	1.1
203.03575	0.5
222.01755	2.0
229.05026	2.8
230.05850	4.1
231.06546	0.4
243.06653	1.7
271.09897	0.6
287.09372	0.4
303.16064	0.5
329.13950	18.9
330.14331	1.1
346.14023	0.6
347.14999	9.5
348.15411	0.8
348.59744	0.3
389.16208	0.5
480.17975	0.3
509.20319	100.0
510.20636	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	509.203
Annotation	Lactoside B
Peak:m/z	Relative Intensity
51.58464	0.2
52.65990	0.2
58.78056	0.2
59.01384	2.5
61.98838	3.2
62.18119	0.2
66.87967	0.2
71.01392	1.2
73.02951	0.7
75.00869	0.3
81.03483	0.2
87.00858	0.3
89.02447	0.8
100.99646	0.2
101.02451	0.8
109.02958	0.5
113.02464	0.4
118.04265	3.0
118.98147	0.4
119.05059	0.2
120.99631	0.2
131.03555	0.3
132.02199	1.1
134.03752	0.5
135.04507	0.5
145.02945	0.3
147.04541	0.6
149.04578	0.3
153.09250	1.6
160.04028	0.2
161.02438	0.4
162.03244	3.5
165.05595	0.8
169.69910	0.2
176.01208	0.3
177.01970	0.7
185.06099	0.5
189.02014	0.6
189.05621	0.2
190.02737	13.4
191.03345	0.4
191.95331	0.2
197.08212	2.7
197.09863	0.3
199.07663	0.7
202.06308	0.2
203.03551	0.6
219.02998	0.4
222.01718	1.7
225.05573	0.3
227.03625	0.4
229.05070	2.9
230.05818	2.6
243.06622	1.5
244.07181	0.5
259.09717	0.5
273.07919	0.2
279.02914	0.3
283.02213	0.2
284.03293	0.4
285.04053	0.6
295.02808	0.2
303.16113	0.6
321.03857	0.5
329.13937	0.8
345.13489	0.8
346.13953	0.6
347.15018	100.0
348.15366	6.3
348.19553	0.4
377.20731	0.4
387.11127	0.3
419.53619	0.2
447.09088	0.9
463.21756	0.3
473.08673	0.5
509.20782	1.8
509.29700	4.0
510.30569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53082	7.6
57.22937	8.3
61.98837	11.8
66.02119	8.5
69.13433	58.0
69.95414	7.7
71.05025	10.0
115.04036	100.0
179.74208	7.8
213.14951	20.8
232.71516	8.5
311.18616	21.5
311.22055	13.8
371.48691	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	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03445	1.3
59.01387	17.3
61.98819	1.8
69.03468	0.7
71.01388	13.7
72.99305	0.9
73.02952	5.4
75.00903	0.6
83.01433	2.7
85.02964	5.3
87.00896	4.3
87.54166	0.6
89.02455	3.9
95.01372	0.7
97.02973	1.3
99.00900	1.4
99.04580	0.9
101.02462	8.2
111.00888	1.4
112.98831	1.1
113.02473	3.1
119.03505	0.9
119.22071	0.5
121.02935	0.7
122.99140	2.7
123.99902	0.7
125.02449	1.4
131.03688	0.9
133.02971	1.8
134.03748	0.9
135.04536	4.2
137.02452	1.4
139.04042	1.1
141.01132	1.6
143.03357	0.5
148.04030	0.6
149.00899	1.0
149.04510	1.0
160.04082	0.9
161.02425	2.2
161.04588	1.3
169.16141	0.5
177.01926	1.7
178.02766	0.7
179.03476	3.7
191.05653	0.6
196.48576	0.5
197.15521	1.3
203.10817	1.2
215.16524	20.5
216.16788	0.7
237.09480	0.7
253.04721	0.9
258.03549	3.2
259.04306	1.2
260.04556	0.6
262.54178	0.5
271.05771	1.6
329.23306	0.8
359.20688	2.2
375.27765	1.3
376.27863	2.2
377.21844	100.0
378.22110	4.8
421.09836	3.7
474.14255	3.8
508.28381	0.6
509.11633	0.9
509.30768	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	509.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78980	3.0
57.03443	5.8
59.01386	64.9
61.98831	7.3
71.01391	52.3
71.96736	3.1
73.02947	22.6
74.45767	2.8
75.00872	4.7
78.20650	3.5
79.05553	3.2
83.01421	9.9
85.02952	26.3
87.00896	8.0
89.02457	26.4
95.01385	4.5
97.06581	3.8
99.00893	8.5
99.42893	2.8
101.02453	46.8
101.28299	2.7
102.08965	2.8
105.01974	5.6
108.72397	3.3
113.02480	20.8
119.03467	5.0
121.02989	3.8
122.03788	6.3
122.76482	3.4
124.28136	3.1
124.54847	3.0
125.02524	3.5
131.03508	3.2
133.02968	5.4
134.03842	4.3
135.04558	5.3
136.05176	3.6
138.05580	3.4
147.04446	3.2
149.04613	7.9
155.10791	7.5
161.04594	10.8
165.04103	7.3
165.05594	7.8
168.38229	3.1
191.05727	4.0
226.09769	3.2
241.75960	3.1
285.04123	5.5
329.11346	4.5
329.15799	3.1
347.17426	100.0
365.17944	4.1
395.20966	3.8
449.20184	5.7
463.21948	26.1
509.21863	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	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03445	1.3
59.01387	17.3
61.98819	1.8
69.03468	0.7
71.01388	13.7
72.99305	0.9
73.02952	5.4
75.00903	0.6
83.01433	2.7
85.02964	5.3
87.00896	4.3
87.54166	0.6
89.02455	3.9
95.01372	0.7
97.02973	1.3
99.00900	1.4
99.04580	0.9
101.02462	8.2
111.00888	1.4
112.98831	1.1
113.02473	3.1
119.03505	0.9
119.22071	0.5
121.02935	0.7
122.99140	2.7
123.99902	0.7
125.02449	1.4
131.03688	0.9
133.02971	1.8
134.03748	0.9
135.04536	4.2
137.02452	1.4
139.04042	1.1
141.01132	1.6
143.03357	0.5
148.04030	0.6
149.00899	1.0
149.04510	1.0
160.04082	0.9
161.02425	2.2
161.04588	1.3
169.16141	0.5
177.01926	1.7
178.02766	0.7
179.03476	3.7
191.05653	0.6
196.48576	0.5
197.15521	1.3
203.10817	1.2
215.16524	20.5
216.16788	0.7
237.09480	0.7
253.04721	0.9
258.03549	3.2
259.04306	1.2
260.04556	0.6
262.54178	0.5
271.05771	1.6
329.23306	0.8
359.20688	2.2
375.27765	1.3
376.27863	2.2
377.21844	100.0
378.22110	4.8
421.09836	3.7
474.14255	3.8
508.28381	0.6
509.11633	0.9
509.30768	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	509.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75420	6.5
60.47345	5.3
61.09334	5.1
61.35498	5.5
61.98812	5.8
89.46130	4.9
183.13852	10.0
283.98132	6.1
311.22321	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	509.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03444	0.7
58.02296	0.1
59.01384	7.3
61.98826	0.2
69.03465	0.3
69.68380	0.4
69.68766	0.3
71.01387	10.3
72.99308	0.2
73.02955	5.7
73.03373	0.3
75.00861	0.6
81.03480	0.3
83.01391	1.7
85.02957	4.6
87.00893	0.8
87.04520	100.0
88.04858	1.1
89.01937	0.3
89.02453	3.2
95.01392	0.7
97.02964	1.2
99.00893	2.5
99.04533	0.4
101.02451	7.9
113.02471	3.2
115.04005	0.9
125.02461	1.7
127.04017	0.3
129.01990	0.2
131.03528	1.1
143.03497	0.6
145.12373	0.2
149.04597	0.7
155.72745	0.2
159.03023	0.4
161.04564	2.5
161.05847	0.2
180.94720	0.2
191.05588	0.5
207.55441	0.2
217.92372	0.2
233.06686	1.5
275.07761	0.2
289.16544	1.3
293.08789	0.5
295.53391	0.2
307.17621	0.8
352.21939	0.2
377.21805	4.7
378.22253	0.3
421.20883	4.1
439.21838	0.5
508.35501	0.2
509.26038	27.3
510.26544	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	509.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03439	1.6
59.01387	13.7
61.98835	31.2
64.65232	0.5
69.03460	1.2
69.77821	1.7
71.01020	1.0
71.01389	12.9
72.99311	2.6
73.02944	5.8
75.00880	0.7
81.03462	0.6
83.01377	2.0
84.95092	0.7
85.02954	6.0
87.00876	2.1
89.02451	4.4
96.96014	0.7
97.02948	1.2
98.21929	0.9
99.00880	1.8
99.67457	0.5
101.02452	6.6
111.00853	0.9
112.01676	0.6
113.02445	2.3
114.93410	1.4
115.04056	0.7
125.02459	1.6
126.99549	1.2
131.03537	0.8
132.48087	0.5
133.02957	1.0
135.04503	1.8
141.01945	0.5
160.02516	0.5
161.02466	1.6
161.04562	0.6
179.03534	0.9
191.05551	0.7
197.15469	1.0
205.24841	0.6
213.15019	0.7
215.16533	24.3
216.16852	0.7
227.16637	0.6
257.17624	0.9
359.20731	3.1
377.21823	31.8
378.22208	1.9
423.09836	0.8
490.16995	0.6
491.25494	0.7
509.26059	100.0
510.26404	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	509.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03457	1.0
57.42811	0.4
59.01383	14.2
61.98843	0.8
62.49952	0.3
69.03471	0.4
71.01388	9.0
71.05025	0.9
72.99330	1.1
73.02947	2.4
83.01392	2.4
85.02964	3.9
86.03255	0.4
86.11742	0.3
87.00889	0.8
89.02448	4.0
93.03439	0.7
95.01396	0.8
97.06587	0.5
98.21883	0.8
99.00902	1.2
99.08202	0.6
101.02452	6.5
108.11372	0.3
113.02448	3.1
119.03495	1.0
121.02975	0.4
135.04536	0.5
137.02515	0.4
139.04016	2.4
139.11378	0.3
141.09215	0.3
143.10828	1.3
147.04552	0.4
160.04073	2.6
161.04567	0.5
165.05605	1.1
166.05112	0.7
181.12524	0.7
189.05659	0.5
210.33919	0.4
212.32152	0.4
215.16571	1.3
301.23883	1.9
329.23334	5.2
347.24374	5.7
366.08459	0.5
377.21591	3.4
419.00281	0.4
509.29834	100.0
510.30133	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	509.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	96.1
59.70067	2.3
61.98827	9.2
65.56128	1.8
78.95924	7.1
79.05561	2.7
82.79229	1.8
97.06568	4.3
103.01488	6.6
111.04510	3.2
113.02411	2.0
116.92848	7.7
118.92721	2.7
119.94727	5.3
121.06604	2.7
122.03751	9.2
123.04539	5.7
125.02444	3.0
129.66867	2.1
139.07689	8.3
141.12888	3.8
152.99561	6.2
154.02626	4.2
162.71791	2.1
196.89552	6.9
212.81671	2.1
227.23547	2.1
279.23325	9.7
281.24887	37.7
282.25238	2.1
339.29071	10.1
405.33759	100.0
406.34116	6.3
423.34863	21.5
424.35266	2.9
449.32858	15.9
509.28671	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	510.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54561	0.8
60.22487	0.8
61.98840	8.8
63.02421	0.8
69.51311	3.0
73.03561	0.7
97.05241	0.7
97.40883	0.7
107.01389	0.9
133.02992	2.1
151.00362	3.0
175.04097	0.9
199.04070	1.0
205.77696	0.7
256.03830	2.2
262.09009	0.8
284.03296	47.2
284.18594	0.8
285.04056	96.4
286.04529	5.0
327.04880	0.9
375.52655	0.8
447.09344	100.0
448.09686	7.7
504.86487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
57.54978	1.4
58.23269	1.5
59.01384	18.5
61.98840	25.6
71.01391	8.3
73.02943	2.8
82.76720	1.6
83.01366	1.7
85.02950	3.3
87.00866	1.5
89.02460	4.6
101.02461	6.0
107.01402	2.8
109.02940	4.6
111.66226	1.5
113.02448	3.0
121.02959	3.3
135.04562	3.5
137.02457	1.6
143.10812	2.4
145.33888	1.6
151.00359	8.5
155.94334	1.4
161.02513	2.0
166.05125	2.5
174.65486	1.9
178.99899	5.3
179.03415	2.1
191.05634	2.3
227.03380	1.8
229.58868	1.8
243.03049	4.9
255.03033	17.8
271.02533	36.0
272.03146	3.0
279.89362	1.6
283.02515	2.2
300.02795	60.4
301.03537	46.9
329.23438	10.1
330.23633	6.3
347.24631	2.0
353.75879	1.7
447.09381	100.0
448.09592	7.2
466.18021	1.7
509.29849	36.8
510.30084	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	510.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.9
61.98835	17.0
66.95681	1.6
71.01378	4.6
73.02962	1.9
85.02993	2.0
89.02438	4.4
101.02483	3.6
109.13755	1.9
119.03512	1.7
131.03766	12.3
132.02158	3.1
132.04562	9.8
133.02974	25.2
134.03751	27.0
135.04538	57.8
137.02455	10.0
139.04008	3.3
142.55966	1.6
160.04051	16.6
161.02451	54.0
162.02979	2.2
178.02736	6.7
179.03508	55.5
180.03931	1.9
186.13618	2.2
190.02722	9.9
191.03140	4.6
223.07657	4.0
230.05533	2.2
243.06633	2.2
244.06934	2.0
250.08765	6.6
265.07272	1.9
269.85925	2.1
284.03259	2.9
285.04080	3.7
290.15427	1.9
295.82339	2.1
328.05573	1.9
347.14993	27.1
348.15353	52.4
349.15735	2.4
447.09427	3.6
474.14069	100.0
475.14438	8.3
509.20135	5.0
510.20590	28.4
510.29352	2.6
511.20798	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	510.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00787	1.9
51.22728	1.8
59.01378	23.0
60.75564	2.0
61.98829	5.6
62.83524	2.1
71.01384	11.3
71.41487	2.6
85.02946	3.3
89.02456	24.2
101.02457	14.2
113.02460	8.8
119.03519	12.7
121.02953	7.2
131.03537	3.3
132.04579	17.7
147.04552	2.4
148.04016	5.5
161.04626	2.6
164.07155	7.5
170.99744	2.8
179.05620	5.7
235.45316	2.0
294.09879	6.1
310.09375	2.5
320.19144	2.3
333.46082	2.4
510.13821	100.0
511.14212	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	510.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21039	4.2
51.68441	4.2
59.01392	37.2
61.98824	5.1
65.70108	4.7
69.76826	4.5
70.97119	5.4
71.01393	18.7
87.00873	5.9
89.02450	34.2
95.01394	5.2
101.02435	16.8
109.02936	10.5
113.02468	9.5
119.03506	16.5
128.49672	4.3
132.04579	21.2
135.04535	13.0
179.05626	14.6
189.05579	8.5
190.05811	5.8
191.34468	5.2
192.14587	5.2
207.06560	9.3
294.09906	7.4
413.10992	5.2
414.10989	7.9
474.13254	6.0
506.87289	4.9
510.13986	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	510.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98835	100.0
64.20883	0.1
68.50780	0.1
69.35228	0.7
71.01390	0.2
84.75467	0.1
87.22468	0.1
89.02469	0.2
102.40741	0.2
116.92876	0.2
127.80315	0.1
133.03000	0.3
145.03024	0.2
177.01944	1.2
256.79367	0.2
310.85617	0.2
348.18991	0.2
510.26038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73619	0.5
59.01379	2.7
61.98838	100.0
67.05360	0.5
70.04541	1.0
71.01389	0.9
77.51788	0.5
83.98445	0.5
84.81525	0.5
87.18838	0.6
96.96026	1.1
101.02436	0.7
104.72849	0.5
113.02508	0.6
114.42658	0.5
135.04561	1.3
155.23831	0.5
161.02509	1.2
179.03622	0.6
216.15886	0.6
223.50581	0.6
284.03571	1.0
285.03934	1.2
359.55157	0.5
377.08987	2.3
446.20871	0.6
450.23264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98834	100.0
63.09286	0.1
71.01397	0.3
75.25211	0.1
85.02955	0.1
89.02498	0.1
109.76637	0.1
116.92889	0.4
121.67039	0.1
125.28587	0.1
126.73284	0.1
133.02965	0.2
145.02957	0.3
177.01938	2.1
203.16211	0.1
285.04129	0.2
347.18967	0.1
348.19229	0.2
377.08658	0.1
472.13498	0.1
510.24680	0.6
511.14856	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	510.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.25026	1.9
92.33989	0.3
115.70288	0.4
129.13422	0.3
139.41827	0.4
157.72702	0.4
181.70667	0.3
186.47748	0.3
229.89600	0.3
277.15268	0.3
401.80951	0.3
480.39096	0.4
538.59070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01305	0.7
65.31532	0.7
71.42137	0.8
73.06941	0.6
78.95908	20.9
122.00103	1.2
138.92111	0.9
140.01190	5.4
152.99519	1.8
196.03796	8.6
200.52213	0.7
214.04840	2.5
253.98389	0.9
255.23306	100.0
256.23706	3.9
313.19141	1.3
356.23935	0.8
452.27832	45.0
453.28384	3.6
461.93536	0.8
499.89792	1.0
510.23611	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	511.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91933	0.3
59.01379	3.9
60.37017	0.3
61.44703	0.3
61.98834	24.3
62.14206	0.3
69.23496	1.7
69.46448	0.3
71.01384	1.3
73.02935	0.5
79.93644	0.4
84.93881	1.1
85.02970	0.5
85.06590	0.3
89.02452	0.8
96.96070	0.3
99.00878	0.4
99.92590	10.6
100.92657	0.7
100.93370	9.8
101.02452	0.8
103.00414	0.5
105.74289	0.4
113.02464	0.4
115.92095	15.0
116.92871	100.0
117.92905	2.9
126.94919	0.4
133.02953	0.6
140.92894	0.7
142.94409	3.2
148.05333	0.9
156.92387	0.7
158.93904	0.9
163.07655	0.7
174.93396	0.5
177.01944	7.2
184.91841	1.1
184.95500	0.4
186.93393	0.5
196.95497	0.6
218.20662	0.3
231.98457	0.7
242.95943	1.2
243.96724	0.4
278.99426	0.5
281.18695	0.4
329.06616	0.3
389.03378	0.7
407.04495	2.3
425.05481	3.6
449.05521	1.3
467.06631	2.9
475.03391	0.9
510.26605	2.3
511.05624	7.5
511.13654	0.5
511.26724	1.4
512.05908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98837	86.6
70.72773	15.6
71.01038	8.4
71.01376	50.0
73.02941	14.4
74.99092	25.9
76.42012	8.0
85.02952	22.1
87.00884	28.1
89.02438	61.8
93.03491	10.4
97.02979	7.3
99.00911	10.2
101.02451	56.8
101.16923	7.9
102.58225	7.5
109.02952	15.3
112.98817	15.0
113.02454	34.6
119.03527	23.9
121.02946	13.9
125.02422	37.2
130.57420	7.9
131.03491	7.1
132.86905	6.7
133.02968	12.4
134.03763	16.5
135.04550	43.5
136.99139	17.5
137.02438	24.0
143.03564	8.0
149.00906	9.4
151.04016	50.3
153.01703	7.2
154.99152	8.1
161.02438	32.9
161.04538	12.8
179.03510	36.9
179.05580	18.4
179.07057	16.8
193.05096	22.5
216.99025	27.2
224.05112	7.2
263.07727	10.9
275.40109	7.5
293.03015	16.0
311.07693	16.6
312.50034	8.9
323.09863	41.8
359.07489	12.0
372.66940	7.9
511.12714	39.4
511.18945	18.5
511.24619	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	511.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98835	1.8
68.25428	0.3
69.47593	1.3
69.71838	0.3
71.01379	0.4
81.03450	0.7
85.06600	0.8
85.35129	0.3
89.03986	2.1
90.96047	0.3
91.40214	0.2
95.05033	0.3
105.03476	3.6
115.03994	0.4
123.04516	0.5
132.04611	0.3
133.02977	9.1
149.02472	0.9
167.03468	0.4
176.01163	0.5
176.03633	0.4
177.01949	100.0
178.02299	2.9
191.03519	0.5
215.75208	0.3
243.04921	0.3
282.52563	0.3
321.06259	0.4
511.14212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73993	0.1
59.01380	0.7
61.67318	0.1
61.98828	0.3
68.81309	0.1
70.25574	0.3
70.69115	0.1
71.01355	0.2
75.80383	0.1
77.03963	0.2
81.03471	0.5
85.06590	3.8
89.03970	1.9
95.05022	0.2
104.02701	0.4
105.03468	3.1
108.15995	0.2
113.06088	0.9
115.04028	0.9
116.92826	0.2
123.25011	0.1
133.02971	8.3
134.03262	0.2
134.99117	0.2
148.01675	0.5
149.02428	1.0
166.32301	0.1
176.01157	1.4
177.01938	100.0
178.02280	2.8
178.56631	0.1
189.07716	0.2
191.03503	1.3
200.04398	0.1
252.04408	0.2
321.06290	0.9
339.07187	2.6
381.08249	4.9
382.08527	0.3
419.68695	0.2
511.14526	6.1
512.14990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.4
59.01393	9.6
61.78823	1.3
61.98833	10.8
69.59595	4.3
71.01398	3.9
71.63219	1.0
73.02947	1.6
75.18311	1.1
78.91898	3.9
81.58775	1.3
85.02962	2.4
87.04527	7.2
89.02439	1.4
96.96014	1.9
97.02969	1.6
98.21929	2.3
99.04542	1.4
101.02467	2.9
102.84143	1.0
108.02180	38.7
109.03011	2.3
113.02463	2.4
119.05030	1.5
122.03813	2.1
123.04536	17.2
124.01693	1.8
125.02455	8.9
133.02951	1.9
135.04532	5.9
137.02461	3.9
137.09761	7.3
147.04497	1.7
149.02475	1.6
149.99582	3.6
150.03241	11.7
151.00421	1.2
151.04030	14.5
152.01161	77.4
152.04761	2.3
153.01535	1.7
155.10788	24.5
163.04027	15.4
165.05637	1.3
167.03508	100.0
168.00656	7.5
168.03845	1.7
171.19894	1.6
177.01941	3.1
177.09261	2.3
179.03554	3.9
179.10783	2.0
181.08759	4.1
187.07648	1.7
190.06383	2.4
191.03522	2.6
191.07169	1.5
191.10745	2.9
195.10280	1.5
199.09764	28.3
205.08713	37.5
206.09492	13.9
220.86467	1.3
221.12067	1.7
241.10716	7.6
253.10876	3.7
255.12639	1.4
255.94128	1.3
268.03891	2.6
269.04623	2.1
283.11880	15.1
289.14362	2.6
290.15244	87.9
291.15503	2.1
305.17593	42.6
306.18118	2.0
331.15533	1.7
343.13873	7.1
349.16516	11.9
429.06232	3.2
431.10080	2.2
448.10104	1.7
478.70596	1.4
511.14215	11.7
511.21594	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	511.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30238	0.5
59.01384	100.0
61.98835	2.1
64.69994	0.5
69.51178	0.5
70.85375	0.5
71.01389	1.4
71.44173	0.5
73.02958	0.7
85.02958	0.6
86.91869	0.5
87.00888	0.6
88.52105	0.6
89.02454	1.2
93.03483	0.7
101.02464	1.0
110.58640	0.5
121.02957	2.5
135.04541	0.7
137.02464	0.7
147.03226	0.6
149.02483	0.6
164.04831	0.7
165.05464	0.5
166.06369	13.5
167.03558	1.1
175.82242	0.5
179.07205	1.0
181.08723	22.7
191.05693	1.7
193.05026	0.7
287.09213	1.0
329.14081	1.4
362.43945	0.5
388.47769	0.5
389.72507	0.5
456.82626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60998	0.9
59.01374	5.5
61.98547	1.2
61.98829	14.2
66.09463	0.9
70.01508	2.1
71.01383	6.0
73.02960	1.2
83.01376	1.7
83.04991	2.0
85.02931	1.7
87.00887	1.7
89.02444	2.1
92.97477	1.8
93.03439	1.6
93.18201	0.9
95.01366	1.2
98.22593	1.6
101.02434	3.1
108.02121	1.9
109.02935	3.1
111.04470	1.4
112.98675	1.1
121.02934	2.0
122.03755	1.8
123.00848	1.9
123.04521	3.5
123.99858	2.1
124.01628	4.2
125.02447	2.2
125.99444	3.5
127.00372	1.1
134.03685	4.1
135.04489	2.2
137.02440	9.5
137.06064	4.0
138.03232	8.0
139.00383	2.7
139.03900	1.7
147.04457	1.2
148.05316	2.1
149.02473	2.8
149.06047	3.6
150.03232	7.9
150.06789	1.1
151.04019	14.5
152.04756	2.3
158.34184	1.0
161.02422	2.3
161.04536	1.1
163.03973	1.8
164.04733	4.2
165.01907	2.3
165.05550	7.6
166.06250	1.4
167.03447	2.3
167.98842	2.1
168.99199	1.3
169.98421	3.0
177.01949	6.6
177.04065	1.2
177.05569	18.7
178.06274	2.4
179.03485	1.5
179.07135	2.0
182.02103	2.0
190.02545	1.2
190.06384	2.6
191.03360	1.1
191.07062	1.5
193.04967	1.3
195.06653	1.3
196.03751	3.6
199.03925	1.1
203.07182	2.1
204.07811	1.2
205.08736	1.4
206.09471	1.9
207.10217	1.5
217.08623	1.3
217.12212	1.8
219.10234	4.8
233.11784	2.3
259.04279	3.8
260.04636	4.5
261.03922	10.9
273.88480	1.0
276.13553	3.3
277.14462	37.7
287.16516	8.3
289.14484	58.3
290.14883	4.6
301.06979	2.7
302.07791	1.4
303.16196	2.5
304.16843	21.1
305.17542	9.7
329.13681	2.7
331.08160	4.3
331.15314	4.5
333.10089	1.1
347.05347	1.0
348.15805	50.0
349.13095	4.2
349.16541	52.7
350.16782	3.6
391.17105	1.2
394.94119	1.1
439.20065	1.9
511.21701	100.0
512.21826	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	511.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01380	4.0
61.98835	19.6
65.71754	0.5
71.01382	1.6
71.41449	0.7
71.41879	0.7
73.02964	0.8
78.91879	1.2
83.05008	0.6
89.02473	1.3
101.02485	1.5
108.02135	0.8
109.02928	1.4
113.02469	1.1
121.02954	0.7
122.03693	0.7
123.04529	4.9
125.02441	1.3
132.04553	1.4
133.02988	1.3
134.03735	1.1
135.04562	5.5
137.02486	2.8
138.03223	2.0
147.03284	3.5
149.02472	0.6
150.03235	6.9
151.04031	16.4
152.04869	2.8
155.10820	1.3
161.02458	2.2
161.04559	0.6
162.02850	0.6
163.04030	32.9
164.04764	3.9
165.05591	1.0
167.03516	0.6
176.01144	1.4
176.04762	0.7
177.01927	1.7
179.03537	1.7
179.14493	0.6
191.02106	0.9
191.03673	0.9
191.07161	2.7
201.01871	0.5
201.09244	0.9
203.07190	1.0
205.08717	4.2
206.04590	17.0
207.09930	0.7
213.69687	0.6
218.09413	1.0
219.10262	7.8
220.10757	0.6
231.03038	0.7
277.14417	5.0
278.14832	0.8
286.04593	0.9
289.14484	11.7
290.15265	100.0
291.15607	4.8
305.14313	2.0
305.17596	54.5
306.17883	3.1
313.13068	1.3
331.12100	0.7
339.05078	1.2
341.09076	0.8
349.16455	2.2
368.09973	3.4
410.10959	0.9
449.09103	1.2
451.33014	0.9
452.20496	4.2
475.13974	0.6
511.22382	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	511.2189
Annotation	gibberellin A2 O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.90023	0.2
51.34951	0.2
51.76316	0.2
59.01377	1.0
61.98840	1.0
69.06447	1.8
71.01389	1.1
81.98392	0.2
85.02987	0.6
98.22702	0.6
101.02449	0.8
105.03479	0.3
109.02931	0.4
113.02467	0.5
117.35605	0.3
123.04539	14.0
124.01735	0.3
124.04903	0.5
133.02980	0.6
135.04543	1.5
137.02451	0.6
138.03168	0.3
138.71648	0.2
150.03247	4.8
151.04022	47.8
152.04433	0.9
161.02444	0.6
161.04486	0.5
162.03267	0.2
163.04028	12.3
163.07660	2.6
164.04581	0.5
165.02103	0.3
173.06133	0.5
176.01160	0.5
176.04790	1.9
177.01944	8.2
191.07162	24.7
192.07529	0.6
203.07133	0.5
208.07413	0.4
229.08632	0.5
231.10277	1.8
232.11046	0.9
268.03906	0.3
273.14948	0.4
285.04080	0.3
290.15265	100.0
291.15631	4.5
305.17612	48.8
306.17981	2.8
321.06189	0.9
331.15509	1.1
339.07254	0.4
348.21066	0.2
349.16577	12.1
350.16974	0.7
381.08215	1.3
429.06418	0.4
431.10095	0.4
439.58356	0.3
511.14819	0.3
511.21829	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	511.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46165	1.4
52.15458	1.6
57.03453	3.8
57.25827	1.6
58.00609	2.0
59.01385	86.9
61.98830	7.4
71.00157	3.5
71.01392	33.0
72.01708	2.4
73.02979	9.7
75.00909	2.2
81.03468	4.4
83.01405	2.7
83.05038	11.8
85.02956	11.4
87.00887	2.7
89.02454	29.8
95.01389	2.2
97.02955	2.2
99.00887	6.2
101.02450	29.2
111.00897	5.7
113.02464	9.9
119.03516	4.5
125.02439	3.0
125.70271	1.5
128.01111	2.1
131.03490	7.4
143.03549	2.1
149.04588	10.8
156.00652	19.0
161.04555	4.5
165.45238	1.8
179.05571	1.8
187.13402	6.6
191.05655	4.4
217.08641	1.7
224.17683	1.9
225.16023	8.2
233.06555	2.9
268.67950	1.9
277.14734	2.0
277.78192	1.6
293.08936	1.7
319.17575	7.3
333.23224	2.0
349.14777	1.6
349.18518	9.0
354.46204	1.7
365.31168	1.7
370.61307	1.6
379.23553	11.8
433.31943	5.8
436.72101	1.6
451.15451	2.5
451.22031	66.7
451.32883	100.0
452.22205	2.8
452.32993	4.0
462.10419	1.7
511.23047	34.0
512.25629	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	511.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.7
57.03458	4.4
58.00599	0.8
59.01388	56.6
60.01717	0.8
61.98851	3.0
69.03468	2.2
71.01392	58.4
72.99340	2.7
73.02955	22.1
74.02518	0.7
75.00895	1.3
80.96508	0.7
81.03476	0.6
83.01392	11.2
85.02959	26.1
86.00133	1.6
86.53727	0.5
87.00893	5.6
88.82656	0.7
89.02459	26.3
95.01434	2.5
96.96024	19.6
97.02966	3.2
99.00896	7.6
101.02459	46.3
111.00893	6.0
113.02470	19.2
115.04019	1.3
119.03542	1.7
125.02426	4.3
129.01964	1.5
131.03523	9.4
135.04578	0.9
137.21037	0.6
138.97104	1.7
139.08017	0.8
143.03531	2.8
149.04576	7.7
159.03030	3.6
161.04585	10.1
167.58437	0.7
179.03612	1.0
181.29745	0.7
191.05630	1.6
215.05408	0.7
216.12796	0.7
217.18208	3.1
222.99217	0.8
233.06633	3.3
241.00264	10.0
285.04147	1.4
293.08740	1.1
361.22412	2.3
379.23404	93.7
380.23743	3.4
451.21729	1.4
511.27646	100.0
512.08771	11.4
512.27936	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	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
59.01382	15.5
59.22565	0.3
70.67724	0.6
71.01385	6.8
73.02950	1.5
83.01391	1.0
83.05020	0.7
85.02960	2.0
87.00877	1.1
89.01939	0.5
89.02454	6.1
91.04040	0.3
93.98287	0.2
95.01369	0.5
97.02985	0.3
99.00883	0.5
101.02450	7.1
108.44996	0.2
113.02469	3.1
115.03978	0.2
119.03505	1.9
133.05003	0.3
142.11465	0.2
143.03500	0.6
161.04588	2.8
163.07727	0.3
177.16461	1.3
179.05663	1.2
179.90823	0.3
203.18167	0.3
214.11356	0.4
231.21182	6.0
232.21611	0.3
235.08269	1.1
236.49826	0.2
253.09302	23.8
254.09726	0.7
257.19165	1.0
273.18555	0.3
275.20172	100.0
276.20520	5.2
408.65414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16376	2.7
69.16782	3.1
71.05612	1.0
73.39697	1.0
76.16947	1.0
98.22720	1.9
109.59657	0.9
117.39182	1.2
453.33743	74.4
454.34186	5.7
511.29587	100.0
512.29785	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	512.1986
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
59.01383	13.6
61.98829	0.7
69.03465	0.5
69.49168	2.1
71.01386	22.9
71.05019	3.3
72.01792	0.5
73.02954	4.8
74.57473	0.4
75.00917	0.5
81.03450	0.8
83.01397	1.1
85.02959	3.4
87.00898	0.6
88.04058	2.7
89.02447	13.5
95.01420	0.7
97.02946	1.5
99.00900	8.0
99.04552	1.1
100.22109	0.6
101.02446	7.7
111.00946	0.5
113.02479	3.3
115.04000	1.1
116.03527	2.0
119.03515	1.4
125.02464	3.3
131.03511	1.7
137.02446	0.5
143.03470	0.9
146.08237	26.7
149.04568	1.7
161.04614	2.3
173.08099	0.6
191.05585	1.3
233.06674	2.6
242.17665	0.5
263.11444	1.4
271.46976	0.4
293.08624	0.5
300.06027	0.5
308.13708	3.8
380.15512	1.3
395.15411	2.2
440.17703	3.1
512.19855	100.0
513.20258	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	512.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60197	0.1
61.98835	100.0
64.59264	0.1
71.44925	0.2
74.44865	0.1
74.60041	0.1
83.87730	0.1
87.76971	0.2
96.26648	0.1
100.65177	0.2
149.09863	0.1
209.40758	0.1
211.00584	0.1
243.93159	0.1
261.21970	0.1
300.88455	0.1
325.81903	0.1
365.21637	0.1
397.34109	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	512.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98835	100.0
63.70237	1.0
65.22595	0.9
71.01402	1.8
71.44839	1.3
85.02963	1.0
89.02482	1.1
191.05609	1.9
204.20001	1.0
285.03952	2.8
287.22247	1.4
345.80618	1.0
413.77100	1.0
438.67340	1.4
449.27713	4.3
454.32791	1.1
518.93976	1.0
539.80530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20352	23.2
61.98834	38.2
69.32695	100.0
69.33099	46.6
89.04820	22.5
119.94714	37.4
122.34635	25.2
233.32956	27.7
273.14249	28.9
312.39093	24.2
320.73523	33.2
369.34225	25.4
512.24548	30.3
512.33459	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
57.03449	2.1
59.01364	1.0
61.98810	1.0
62.51981	0.9
63.87768	1.0
65.09415	0.9
67.01894	1.4
67.86741	0.9
69.03430	1.3
69.64001	2.8
71.01388	2.7
73.02944	1.5
83.01394	16.3
85.02946	4.0
88.98852	0.9
89.02463	0.9
95.01395	1.5
97.02941	2.5
99.00900	2.6
100.01677	3.0
101.02474	1.2
107.77238	0.8
108.02174	2.1
109.02973	9.7
111.00893	27.5
113.02472	5.6
121.02966	3.0
122.03773	7.9
123.04546	4.4
123.05296	0.8
125.02449	4.7
128.01135	2.3
133.02942	1.5
134.03743	3.9
135.04550	4.4
137.02431	2.9
139.00404	30.0
139.04010	3.6
145.02939	1.9
146.03740	1.9
147.04555	2.3
148.01727	1.2
149.02463	11.1
150.03204	1.6
151.04028	1.0
154.64340	0.9
155.99385	0.9
156.00676	27.2
157.01447	28.2
159.04494	2.2
161.02449	5.8
163.04025	3.9
165.01929	1.4
173.02425	0.9
174.03288	1.9
175.03995	2.4
176.01268	1.6
177.01965	8.4
187.04012	4.3
188.04791	3.2
189.01929	1.7
189.05646	2.0
190.02695	3.5
191.03508	11.6
193.05083	24.8
195.06654	1.2
201.01962	1.3
201.05669	1.1
203.03557	6.8
203.07191	1.7
205.01425	7.0
205.05019	1.8
206.02242	15.0
206.05864	3.8
207.06659	19.9
213.05598	2.3
215.03520	4.3
216.04385	2.0
219.02983	1.7
219.06625	3.9
221.04613	1.0
222.05347	2.6
223.06087	3.0
229.05013	1.1
231.03142	1.0
231.06653	3.8
233.04567	4.8
234.05347	21.9
235.05780	1.1
247.02538	1.6
247.06061	3.3
249.03871	1.0
251.05579	2.8
257.04605	2.0
259.02563	1.7
261.07712	1.2
263.05441	1.1
275.05734	8.9
277.07144	3.0
279.05115	8.9
279.08734	6.9
289.07214	16.9
307.08273	100.0
308.08569	3.0
351.07272	1.6
355.10681	1.0
367.06717	1.2
368.07446	1.3
441.10306	4.8
451.12466	1.1
469.13547	4.0
481.10129	2.2
495.11502	2.2
513.11993	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	513.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21406	0.2
59.01384	1.6
61.98835	3.1
67.36388	0.2
69.24477	0.9
71.01401	0.8
73.02972	0.4
78.95964	0.2
81.54209	0.2
85.02990	0.2
85.06593	1.3
89.02466	0.6
95.01443	0.2
99.04522	0.2
101.02470	0.5
106.04260	0.2
107.04994	1.0
109.02993	0.2
113.02429	0.4
113.06125	0.3
115.04042	0.3
117.03486	0.2
119.03507	0.3
127.05121	0.3
133.02957	0.3
134.03749	3.3
135.04538	86.1
136.04860	1.6
137.02405	0.2
161.02414	0.3
178.02747	0.6
179.03508	100.0
180.03851	2.7
193.05074	0.5
219.13844	0.3
221.04454	0.3
255.02943	0.3
285.04041	0.4
323.07758	1.7
328.18723	0.2
341.08783	0.9
383.09741	0.7
384.09491	0.2
513.14600	0.2
513.21405	0.2
513.28271	1.3
525.92017	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.2
60.84537	0.2
61.98828	1.0
69.31448	0.2
70.19271	0.5
71.01373	0.4
78.31462	0.2
84.56165	0.2
85.06598	1.6
89.02454	0.4
89.03984	0.3
107.05010	1.2
108.02202	0.2
111.60475	0.2
115.04031	0.4
126.61018	0.2
133.02998	0.7
134.03770	4.6
135.04538	100.0
136.04868	2.5
139.04036	0.4
161.02412	0.5
177.01933	2.1
178.02345	1.1
179.03516	97.9
180.03889	2.1
193.05075	6.1
194.05414	0.2
268.73706	0.2
311.44046	0.2
323.07718	3.0
341.08810	2.2
355.10275	0.6
380.64789	0.2
383.09830	3.1
389.81219	0.2
513.15735	0.6
513.27637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56136	1.2
59.01389	13.5
61.98820	2.4
69.11768	3.9
69.12190	3.8
70.93798	1.0
71.01387	8.7
73.02934	2.8
75.64520	1.0
85.02962	2.8
85.06599	100.0
87.00913	1.1
89.02454	10.3
91.67184	1.1
101.02460	10.8
113.02462	4.4
113.06103	18.4
115.04032	14.6
119.03490	3.2
125.02470	5.0
129.05597	5.1
131.03496	1.3
143.03499	1.1
157.05051	4.6
161.04538	2.5
179.03476	1.4
179.05627	7.7
189.07716	9.3
191.05698	2.1
267.06635	1.0
323.09576	1.5
331.74753	1.3
339.05081	4.5
499.60626	1.3
513.10651	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	513.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35691	1.2
57.03430	2.1
59.01385	15.8
66.50990	1.2
68.99207	1.2
69.73863	4.1
71.01376	11.0
73.02943	2.9
78.51154	1.2
78.95876	2.8
85.02982	1.6
85.06592	100.0
86.06905	1.9
87.00907	2.1
89.02435	12.1
91.62522	1.3
93.58925	1.2
93.68639	1.4
96.52267	1.3
96.95985	2.5
96.96964	2.5
101.02452	12.4
109.02992	2.5
113.02462	6.3
113.06087	17.1
115.04025	13.7
119.03514	3.5
123.04495	2.3
125.02477	10.5
129.05562	4.9
131.03513	1.4
135.04517	1.5
143.03477	1.6
146.93846	1.2
151.04004	3.7
157.05025	5.1
161.02463	2.7
161.04535	1.8
171.28314	1.3
177.01910	2.0
179.05646	7.0
189.07675	10.8
194.29973	1.4
283.58810	1.3
291.08832	1.8
295.56720	1.3
423.78476	1.6
435.42554	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01384	7.0
61.98835	2.4
63.96237	0.6
69.03435	0.7
71.01019	0.7
71.01388	8.9
72.99308	0.4
73.02960	2.6
75.00875	0.8
78.98605	6.0
79.05150	0.4
79.95744	8.9
80.96526	53.9
81.03474	0.8
83.01407	1.0
85.02960	3.0
87.00870	2.8
89.02455	2.5
89.44128	0.4
94.98100	14.1
96.96009	0.7
97.02959	2.2
99.00834	1.0
99.04520	1.2
101.02448	4.3
102.05567	0.5
106.98105	2.5
113.02470	1.8
119.03541	0.9
122.97588	5.5
125.02465	3.7
127.03993	0.9
127.05177	0.5
128.03557	0.8
134.97606	3.0
135.04536	0.8
136.99167	1.0
148.99164	5.1
152.98642	5.6
164.98650	10.2
167.00235	0.4
179.00189	0.4
179.03487	0.8
182.99710	2.2
183.13985	0.6
206.99696	2.9
213.14981	2.4
225.00769	15.6
243.01764	1.8
283.02676	0.6
285.04068	1.0
293.50925	0.4
299.04318	2.0
369.48114	0.5
376.58893	0.4
477.23135	0.8
513.20209	100.0
513.27087	7.8
514.20520	7.3
514.27252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2116
Annotation	Gomisin E
Peak:m/z	Relative Intensity
59.01390	50.5
61.98840	54.6
69.94189	10.4
71.01386	26.0
73.02943	6.4
85.02956	8.6
89.02496	24.5
89.02924	5.7
93.03468	6.6
99.00909	10.0
99.04549	4.7
101.02461	21.4
113.02429	6.5
119.03493	8.7
121.02968	6.2
131.03598	4.9
133.02960	6.8
134.03775	5.3
135.04515	18.8
137.02467	8.2
149.04512	8.2
150.06876	12.3
153.05698	4.4
161.02519	7.0
163.07648	4.9
164.08377	5.3
171.10370	5.0
179.03517	20.5
179.10756	14.0
191.05568	12.6
191.74503	4.7
206.04514	5.7
285.04138	6.7
339.05188	5.8
351.21674	13.2
393.22635	4.7
475.14670	5.8
477.23523	72.7
478.23737	6.7
513.09888	5.7
513.20947	100.0
513.27527	23.9
514.21063	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	513.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
58.00581	0.7
59.01385	57.8
61.98836	5.8
69.03452	2.0
71.01388	33.2
71.05032	0.6
72.04544	0.5
72.99309	1.3
73.02950	4.2
75.00883	0.8
78.98577	0.6
79.95742	1.0
80.96526	8.6
82.95017	0.5
82.95470	0.5
83.01395	3.2
83.05012	0.5
84.31422	0.7
85.02962	9.5
85.06599	0.7
87.00889	1.5
89.02454	21.6
94.98087	1.8
95.01366	3.2
97.02946	0.7
97.06539	0.7
99.00886	1.9
99.04521	6.4
101.02453	22.1
102.05628	0.7
111.08200	1.1
113.01716	0.9
113.02460	11.2
116.42976	0.5
119.03513	8.7
120.99649	1.5
121.02927	0.9
123.04509	0.6
124.01653	1.1
125.02461	4.3
127.05153	1.3
128.03548	1.3
131.03540	1.0
133.02966	0.9
134.03723	1.1
134.97560	0.9
135.04517	3.4
137.02400	0.8
143.03519	0.9
148.99228	0.9
149.04567	0.8
149.06129	1.3
149.99611	1.8
150.05663	0.8
150.06879	13.8
152.98563	0.6
155.10831	0.6
161.02397	2.3
161.04578	1.6
161.09712	0.8
163.07628	2.5
164.08441	3.8
164.98642	1.4
168.00661	3.1
171.10301	3.3
177.01947	7.4
178.02304	2.3
179.03511	3.3
179.05421	0.8
179.10779	10.1
190.19028	0.6
192.04265	2.4
201.16478	0.7
207.04947	0.7
207.06651	4.4
219.17677	0.6
225.00703	1.7
283.02466	0.7
284.03134	0.7
285.03973	2.4
297.86368	0.6
315.19363	0.6
333.20679	8.0
334.21030	0.8
336.19415	1.6
350.20941	2.1
351.21762	13.5
352.22250	0.9
375.21869	0.7
376.58310	2.1
513.20044	10.4
513.27008	100.0
514.20850	1.2
514.27429	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	513.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.7
61.50134	0.8
61.98837	6.3
69.03440	1.3
69.39042	2.7
69.39442	1.8
71.01389	7.6
73.02963	1.1
82.95418	6.4
83.01395	1.9
83.05044	1.0
85.02953	2.9
85.06604	0.9
87.00875	0.9
89.02447	3.1
95.01376	1.1
99.04507	1.2
101.02448	4.5
103.78834	1.0
113.02460	2.9
119.03557	1.5
120.99675	2.1
121.02938	1.3
123.00863	1.8
123.04560	1.9
124.01656	2.6
125.02458	7.7
133.02960	10.1
135.04541	4.2
135.08177	1.7
137.02460	1.3
145.06264	1.1
149.06123	5.0
149.99591	3.8
150.06876	78.8
151.04074	1.7
151.07236	2.9
153.09218	1.3
155.10785	1.5
161.01108	1.5
161.02461	26.0
161.04507	1.5
161.09750	1.0
162.02725	1.0
163.07661	15.6
164.08452	20.0
167.03470	2.2
168.00627	9.4
169.01443	2.1
169.12354	1.7
171.10274	20.4
177.01921	4.8
177.09129	0.9
178.02298	2.4
178.10013	2.3
179.03618	5.8
179.10789	49.1
180.11052	1.6
193.05052	1.1
198.40099	0.9
245.06369	1.1
268.12070	1.0
289.21536	1.4
292.20511	1.8
315.19580	0.9
318.18265	2.3
333.20700	8.9
336.19565	8.9
350.20923	12.6
351.21768	76.9
352.22223	4.8
375.21902	2.8
383.09988	1.4
513.15881	16.3
513.27057	100.0
514.18939	1.3
514.27319	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	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72625	1.3
59.01386	73.4
60.25513	1.1
61.98839	1.8
71.01389	4.9
71.26144	2.4
85.02974	3.2
89.02470	6.4
95.01371	1.7
95.10939	1.3
101.02462	4.4
113.02502	7.3
119.03472	2.9
139.31206	1.4
150.10530	1.6
165.12846	15.3
247.20688	8.6
273.18613	2.9
291.19681	100.0
292.19977	5.5
305.21173	3.1
333.20682	5.1
362.15759	1.6
364.51498	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	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44622	0.1
55.01853	0.3
57.03431	0.1
58.00599	0.2
59.01384	8.3
61.98822	0.1
65.90031	0.1
68.24938	0.1
70.00629	0.3
71.01389	5.6
71.03624	0.1
72.99289	0.1
73.02956	1.1
83.01389	0.7
83.05001	0.1
85.02466	0.1
85.02953	1.5
87.00860	0.5
89.02452	4.1
91.03981	0.2
95.01387	0.5
97.02914	0.2
97.06532	0.1
98.22566	0.1
99.00856	0.2
101.02452	5.1
103.04036	0.1
111.04539	0.1
112.01659	0.1
113.01731	0.2
113.02465	2.5
115.03999	0.1
119.03520	1.2
123.91514	0.1
125.02422	0.2
127.07682	0.2
131.03511	0.2
133.05099	0.4
143.03534	0.5
149.04492	0.2
157.05069	0.3
161.04594	1.9
163.54681	0.1
169.54031	0.1
179.05635	0.6
182.13051	0.1
205.19679	0.1
233.22705	0.3
234.23125	0.1
235.08195	1.2
253.09303	16.4
254.09668	0.4
259.20697	0.3
275.20273	0.3
277.21744	100.0
278.22089	4.3
434.85690	0.1
487.92004	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83133	0.2
55.01883	0.4
57.03432	0.4
59.01081	0.5
59.01382	9.1
61.98820	0.2
71.01386	5.3
71.41370	0.3
73.02952	1.5
78.95912	0.7
83.01396	0.6
85.02958	1.3
87.00877	0.7
89.02444	3.4
95.01385	0.6
97.02951	0.4
101.02449	5.2
103.04005	0.3
113.02464	2.3
117.19124	0.3
119.03531	1.1
125.02411	0.2
127.07599	0.2
133.05063	0.3
134.57784	0.2
143.03528	0.6
147.47417	0.2
152.99623	1.5
157.05116	0.2
161.04614	1.2
179.05617	0.8
233.22752	0.4
235.08200	0.9
243.06642	0.3
253.09291	16.3
254.09688	0.6
259.20816	0.5
275.20215	0.4
277.21738	100.0
278.22079	5.2
327.16058	0.5
350.93808	0.3
431.21848	0.5
452.13351	0.2
455.31592	0.8
513.27435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	40.9
61.98841	49.9
69.50513	90.3
69.50904	96.8
70.00073	37.3
77.65639	36.6
78.95919	54.4
83.25835	38.0
93.67680	37.9
104.48978	50.4
125.87349	94.7
126.88110	100.0
127.87049	81.0
128.87842	43.6
152.99591	47.2
156.42072	39.1
194.80951	38.6
403.09106	62.1
404.08905	66.1
405.08987	91.6
478.12125	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92692	0.6
55.44305	0.5
59.01379	0.5
61.98835	100.0
63.01249	0.5
70.74277	0.8
71.01418	0.5
71.28045	0.5
82.95444	0.7
83.48539	0.6
109.02982	1.2
115.18172	0.5
116.90524	0.5
120.22142	0.5
123.04490	0.6
133.02983	1.9
134.03752	2.4
135.04562	1.3
137.02496	0.5
141.29457	0.5
160.04065	1.3
161.02461	2.7
177.02003	1.8
178.02756	0.5
179.03456	1.7
189.01993	1.5
190.02782	1.0
216.00798	0.9
217.01471	0.9
219.02840	0.7
269.04190	0.7
275.78171	0.6
276.64151	0.6
297.08026	0.8
299.05710	2.0
341.06693	8.2
353.10266	0.9
432.10367	0.7
439.01541	0.5
451.10382	4.9
476.15646	4.8
478.16418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39672	0.4
59.01389	1.8
61.98834	100.0
62.71092	0.4
71.01385	1.2
80.77458	0.4
95.05056	0.6
96.92815	0.5
98.22681	1.2
101.02491	0.8
102.47189	0.5
109.02969	8.1
117.03584	0.5
121.02905	0.5
123.04556	4.2
125.02498	1.3
133.02956	0.7
135.04561	0.8
137.02495	0.8
145.02972	0.9
147.04550	1.1
150.03287	0.7
151.04022	2.6
158.27333	0.5
161.02432	3.4
176.01199	0.5
177.01945	9.5
179.03534	0.7
187.03972	0.7
189.01944	20.2
189.03586	1.0
190.02716	3.8
191.03487	3.0
203.03438	2.6
216.00725	2.2
217.01424	12.7
217.03391	0.5
218.02139	1.1
219.02956	6.0
219.04683	0.5
231.02959	4.9
233.04604	0.5
269.04599	1.6
289.07285	0.8
289.18130	0.8
299.05640	0.9
323.05612	0.8
341.06677	37.3
342.07150	2.2
343.15799	0.5
451.10352	31.1
452.10831	2.8
510.91138	0.5
516.23450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44684	0.5
61.98836	100.0
69.07042	0.4
70.90932	0.5
71.23244	0.4
79.04731	0.4
83.68845	0.4
94.43979	0.4
109.03008	0.7
123.04569	0.5
125.02495	0.8
137.02493	0.9
148.04106	0.8
151.04008	0.5
161.02449	0.6
203.07228	0.8
205.05075	0.6
245.08284	0.5
289.07211	8.2
299.07806	0.7
451.12711	2.4
459.22006	0.5
478.17014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98836	100.0
66.80452	0.3
81.32476	0.3
95.56731	0.3
101.02441	0.3
105.86762	0.3
109.02989	0.5
125.02512	1.0
137.02480	0.7
144.04610	0.4
146.02501	2.7
146.06213	0.4
149.02521	0.4
151.03937	0.3
161.02507	0.5
179.03514	0.3
190.01540	0.6
190.05193	0.6
191.05661	0.8
203.07274	0.4
245.08328	0.8
282.20734	0.3
289.07214	6.0
336.73376	0.3
356.08057	0.3
451.12552	0.7
513.31830	0.3
514.11481	0.3
515.13892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42062	0.7
55.24733	0.6
58.13671	0.7
59.01377	4.2
59.20547	0.6
61.98837	45.1
71.01392	2.5
71.41650	1.1
71.43307	0.7
72.86462	0.8
82.95416	1.1
85.02970	0.7
89.03992	3.7
96.96013	3.0
100.60020	0.7
101.02467	0.8
105.03469	1.3
106.37770	0.9
109.02901	1.3
117.03485	20.1
122.95696	0.7
123.04530	1.7
125.02474	1.1
127.05194	1.2
131.03801	10.7
132.02193	2.8
132.04575	44.8
133.02977	46.6
133.65683	0.7
134.03764	2.5
134.06096	1.0
135.04546	17.2
137.02458	1.6
148.04068	5.9
149.06062	1.1
151.04066	0.7
158.02473	2.2
161.02464	100.0
162.02815	2.8
174.01924	1.3
175.02689	1.7
177.01921	1.7
177.05576	1.8
179.03523	10.6
189.04309	2.9
190.05116	26.7
205.01433	33.0
206.01698	1.4
221.04639	1.6
250.08746	1.0
253.89740	0.8
269.04510	1.2
294.07794	1.6
323.07797	5.2
341.06732	1.0
351.41675	0.8
438.11862	6.0
439.12268	0.9
447.07043	1.2
450.76035	0.7
482.10938	23.8
483.11337	2.6
514.13599	51.8
515.14069	5.3
515.29535	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	514.157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66249	1.5
55.01880	2.1
55.75401	1.5
57.03446	2.5
59.01386	83.0
59.38964	1.5
61.98820	9.4
71.01389	53.2
72.99294	2.0
73.02951	4.7
75.80015	1.5
77.43612	1.5
83.01400	4.0
85.02962	9.7
85.06628	1.7
87.00878	5.3
89.02454	57.3
95.01398	2.1
96.96035	2.8
97.68856	1.6
101.02455	27.5
109.03001	2.0
113.02461	24.3
116.78172	1.4
119.03525	19.1
121.02970	2.2
126.58996	1.7
131.03777	16.8
135.04590	1.9
143.03481	6.0
146.06128	13.2
148.04028	13.2
149.04546	3.3
158.02510	2.0
161.04556	5.6
165.06870	1.5
174.01968	3.0
175.02707	5.5
179.05629	22.0
189.04266	14.4
190.05115	60.3
191.05545	5.5
192.00674	8.1
200.07187	2.1
207.02936	5.8
232.06165	2.5
287.90561	2.2
334.09302	16.0
341.10928	48.2
352.10294	4.2
352.20108	1.9
514.15723	100.0
515.08722	1.8
515.15582	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	514.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.82151	1.5
61.98844	11.1
64.36858	1.6
69.03463	4.6
69.19395	2.6
69.19796	9.2
71.01389	49.5
72.99300	2.6
73.02948	23.9
78.89775	1.8
81.03474	3.8
83.01402	5.0
85.02954	16.7
87.00880	3.7
89.02454	34.4
92.06778	1.6
95.01370	2.3
97.02963	11.7
98.21903	3.8
99.00887	3.5
101.02449	37.4
103.04021	34.1
109.67185	1.7
113.02460	4.9
115.04010	1.9
119.03522	19.0
125.02460	43.5
127.04038	3.4
128.03584	3.2
135.04564	3.6
138.61588	1.8
143.03511	3.8
145.05084	6.7
148.05327	37.8
161.02364	2.1
163.06119	35.4
163.07631	12.9
171.27219	1.9
205.07175	4.0
243.86209	1.9
247.08205	11.1
285.04065	2.3
289.09586	2.2
307.10315	24.6
391.22147	2.0
510.88272	1.8
514.27875	5.6
515.28754	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	514.325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98835	100.0
62.98543	0.1
68.85645	0.1
69.26749	0.6
69.64026	0.1
98.21911	0.2
102.13436	0.1
129.46761	0.1
197.83290	0.1
264.31778	0.1
292.17184	0.1
338.85367	0.1
347.12210	0.1
454.34033	0.2
514.32501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76464	2.6
57.19658	2.3
59.01384	69.3
69.44008	10.6
71.01392	43.1
72.99316	8.3
73.02946	4.8
75.00877	5.5
78.44839	2.3
85.02962	14.3
87.00887	4.4
89.02457	52.4
93.03468	11.4
95.01389	4.2
96.96940	4.5
98.21877	2.7
99.00895	6.0
99.77209	2.2
101.02440	20.5
111.04555	4.0
112.98820	4.9
113.02453	22.4
115.00372	4.7
119.03519	20.5
129.01923	5.1
131.08287	3.5
133.01480	13.4
135.04555	4.3
137.02441	3.2
142.99878	18.3
143.03532	5.5
145.98499	2.5
152.95972	4.2
161.02486	7.0
161.04611	7.0
172.90002	3.1
172.96854	6.8
173.00957	5.5
173.04536	17.0
179.03563	4.1
179.05646	30.0
191.01967	3.1
191.05687	19.2
293.08698	4.3
323.07761	6.3
341.10941	100.0
342.11322	5.9
353.08838	4.2
514.01471	2.6
515.14386	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	515.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.9
59.01641	0.5
61.98830	0.6
67.01891	1.2
69.26003	3.0
71.01395	1.5
83.30324	0.5
85.02966	8.8
87.00883	2.2
89.02456	1.2
93.03462	5.5
101.02472	0.8
109.02939	0.7
111.04533	1.7
112.57054	0.5
117.03493	0.6
127.04033	2.1
132.02193	1.0
133.02979	5.9
135.04533	6.7
160.01678	2.4
161.02466	47.5
162.02782	0.9
173.04561	1.8
179.03506	4.9
191.05647	100.0
192.06036	1.6
218.00385	0.6
323.07758	43.2
324.07925	2.0
327.41846	0.6
341.08676	3.3
353.08948	2.7
437.11069	0.5
441.61514	0.6
455.21396	0.7
460.85657	0.6
515.14093	22.5
516.14301	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	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20057	0.6
59.01381	2.9
61.40471	0.5
65.33416	0.5
67.44662	0.5
69.64800	1.7
71.01395	2.5
73.02937	0.5
78.95921	1.7
82.95405	0.5
85.02959	8.8
85.06585	1.8
87.00881	2.1
93.03456	3.6
96.96021	1.1
96.96956	2.1
98.22542	1.1
101.02433	0.8
109.02934	1.0
111.04517	1.4
113.02437	0.6
115.03989	0.7
116.92822	0.7
117.01936	0.5
117.03484	1.6
127.03996	2.3
132.02170	1.9
133.02982	7.0
135.04498	3.0
137.02446	0.7
160.01672	2.9
161.02458	48.3
162.02888	0.9
171.03021	1.1
173.04544	1.6
179.03464	3.8
189.22479	0.5
191.05623	100.0
192.05939	3.2
210.60541	0.5
264.14200	0.6
323.07742	42.3
324.08002	2.1
326.62933	0.5
341.08820	2.5
349.75659	0.6
353.08762	3.4
361.63873	0.5
395.10037	1.0
395.15292	1.2
430.93860	0.5
515.14099	30.2
515.27295	1.5
516.14325	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	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13098	0.4
57.03443	0.5
59.01387	5.3
60.99299	0.7
61.98828	0.5
65.12865	0.4
67.01898	2.6
69.59161	1.1
69.59552	0.9
71.01387	4.9
73.02950	0.6
81.03450	1.0
83.01411	0.6
84.99376	0.5
85.02969	5.8
87.00893	4.4
89.02470	2.5
93.03465	16.9
97.02873	0.5
99.00893	0.6
101.02457	2.1
108.22252	0.5
109.02969	0.8
110.18517	0.5
110.66064	0.5
111.04506	2.9
113.02452	0.8
115.03979	0.7
121.02957	0.9
127.04048	1.6
129.01994	0.6
133.02963	1.6
135.04541	16.4
136.04866	0.5
137.02461	0.7
149.04498	0.5
155.03549	0.9
161.02463	9.9
173.04593	4.9
175.02480	0.6
179.03503	16.6
191.05624	100.0
192.05952	2.4
199.18439	0.5
323.08041	1.1
341.08737	0.8
353.08829	11.6
371.10074	0.7
395.09830	2.7
395.15192	1.1
455.21371	3.4
515.14075	45.0
516.14417	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	515.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32887	1.1
50.59816	1.1
55.56242	1.1
57.03453	32.1
59.01387	14.3
61.98824	2.7
69.23604	6.3
71.01385	11.6
73.02959	2.3
83.01402	2.3
85.02949	6.6
87.00896	1.5
89.02450	2.3
93.03455	2.7
98.22631	2.3
99.00884	1.7
99.04529	33.0
101.02457	11.2
105.13913	1.2
109.02956	3.7
113.02476	5.6
116.92841	1.3
121.02900	1.1
125.02474	10.3
128.54472	1.1
134.03754	6.5
135.04535	3.9
136.01674	6.9
137.06104	13.5
139.07617	1.3
149.02470	1.7
149.06110	3.5
150.03242	14.0
150.06871	10.1
151.04041	8.9
161.02466	1.8
161.04593	9.7
163.07671	7.9
164.08441	100.0
165.05614	12.1
165.09227	63.7
165.10664	2.3
165.77957	1.2
166.09631	2.0
170.16350	1.2
173.04596	2.2
176.04831	1.1
179.03522	2.6
179.07155	9.3
191.05589	5.8
191.07141	34.2
195.06670	6.5
203.05582	1.4
209.08214	2.4
213.05754	1.8
228.96869	1.3
241.05104	8.5
248.04231	1.1
249.31502	1.2
256.07483	5.5
267.45551	1.1
271.09799	16.9
285.07663	2.0
299.09320	4.2
309.13434	3.0
327.14450	2.5
335.11304	2.6
341.06760	2.3
353.12366	3.4
369.15128	1.6
371.13568	23.2
391.12973	1.2
400.08133	1.1
413.14478	11.0
453.17499	1.7
467.17093	6.0
497.16382	3.2
515.11536	2.8
515.17963	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	515.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71475	1.9
57.03448	46.2
59.01382	14.8
61.98832	25.6
71.01362	4.5
71.44363	2.0
71.72319	1.9
80.91688	2.2
82.95413	2.8
85.02956	2.7
89.02466	6.2
93.03467	4.7
99.00873	2.4
99.04519	27.1
101.02406	10.1
112.98789	3.2
121.02963	2.7
125.02448	16.0
127.05210	3.0
128.03572	3.1
133.02986	6.5
134.03754	3.1
135.04529	16.4
137.02478	4.7
143.03445	2.8
145.06218	3.7
151.04022	7.5
152.01012	1.9
156.84801	1.8
173.04663	9.5
177.01971	2.0
179.03505	59.2
191.05571	8.0
194.05852	66.3
209.08199	100.0
210.08572	2.4
296.89996	2.0
332.40250	1.8
342.06238	1.9
342.09741	8.9
353.08740	9.0
371.03894	1.8
515.17719	3.4
515.29712	10.5
522.84766	2.1
534.27917	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	515.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71924	1.8
57.03460	2.1
59.01386	70.2
67.03338	2.1
69.67760	8.7
71.01387	100.0
71.26855	2.0
73.02945	12.3
81.03484	2.7
82.63835	2.0
83.01424	5.0
85.02966	21.7
86.00094	3.0
87.00895	9.8
87.04566	2.3
89.02453	42.4
95.01366	3.4
97.02968	3.7
101.02454	29.5
111.00907	7.0
113.02457	13.6
125.02476	3.6
128.59796	2.4
129.05632	7.0
130.99358	2.3
131.03517	16.3
143.03545	4.6
145.49506	2.1
147.06639	22.8
149.04562	12.1
161.04498	10.2
164.15181	2.1
173.08180	11.3
191.05672	6.6
201.07726	20.8
233.06921	2.7
237.03226	2.5
263.11383	7.1
267.79593	2.2
293.08905	5.2
395.15604	79.0
423.15128	44.5
455.17743	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	515.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01924	3.0
57.03447	3.4
59.01086	2.9
59.01384	56.5
61.98837	4.7
67.67654	2.4
69.03487	3.7
69.26084	13.9
71.01392	100.0
71.01789	5.3
73.02957	18.5
81.03474	3.5
83.01414	8.9
85.02952	15.9
86.00100	3.3
87.00884	11.3
87.04547	3.4
89.02452	37.0
96.95998	4.3
97.02976	4.7
99.00900	4.2
101.02458	27.5
111.00879	7.6
113.02448	16.5
122.53269	2.5
125.02460	7.8
129.04634	2.6
129.05600	11.4
131.03534	15.7
133.02963	3.7
136.10901	2.5
147.06645	27.2
149.04556	16.2
160.39647	2.4
161.02490	6.1
161.04594	7.5
163.03999	3.4
173.08200	9.9
177.05602	5.2
191.05627	9.9
201.07704	22.5
207.02988	3.4
233.06718	5.9
263.11240	4.8
290.12201	2.6
293.08905	8.4
305.93750	2.6
323.07935	3.1
395.15591	90.0
396.16223	6.2
423.15070	46.4
455.08578	5.1
455.17822	17.9
500.25620	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	515.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44279	0.4
55.79020	0.3
61.98861	0.4
69.18460	2.7
78.95909	50.5
79.08810	0.4
79.73152	0.4
96.96964	5.4
107.74886	0.4
150.98036	1.7
152.99600	100.0
153.99951	0.5
171.00671	4.1
178.96156	0.5
180.74696	0.4
212.95142	0.9
252.99794	0.8
273.55502	0.4
279.23181	2.1
281.08853	0.4
326.00327	0.4
433.23605	19.5
434.24127	1.0
455.20892	0.5
485.57935	0.4
515.83038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.286
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01863	2.4
57.03446	2.1
58.00578	0.8
59.01385	41.3
61.98835	11.7
69.34703	2.6
71.01391	23.6
72.99316	0.7
73.02950	6.1
83.01390	3.1
85.02961	10.5
87.00880	1.8
87.04537	2.3
89.02456	12.0
93.15372	0.5
95.01396	2.1
98.22646	0.8
99.00893	1.6
99.04574	0.8
101.02454	19.0
112.98841	0.5
113.02464	9.4
119.03510	5.3
126.79098	0.5
131.03505	0.9
137.09743	2.0
143.03490	1.1
149.04591	0.9
159.03008	0.8
161.04550	3.3
171.18686	0.4
174.14090	0.5
178.52164	0.5
179.05731	1.0
181.08652	0.5
335.22116	1.0
353.23337	0.8
515.28656	100.0
516.29108	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	515.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
57.03446	2.1
58.00578	0.8
59.01385	41.3
61.98835	11.7
69.34703	2.6
71.01391	23.6
72.99316	0.7
73.02950	6.1
83.01390	3.1
85.02961	10.5
87.00880	1.8
87.04537	2.3
89.02456	12.0
93.15372	0.5
95.01396	2.1
98.22646	0.8
99.00893	1.6
99.04574	0.8
101.02454	19.0
112.98841	0.5
113.02464	9.4
119.03510	5.3
126.79098	0.5
131.03505	0.9
137.09743	2.0
143.03490	1.1
149.04591	0.9
159.03008	0.8
161.04550	3.3
171.18686	0.4
174.14090	0.5
178.52164	0.5
179.05731	1.0
181.08652	0.5
335.22116	1.0
353.23337	0.8
515.28656	100.0
516.29108	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	515.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03462	1.0
58.07973	0.6
59.01386	31.1
61.98838	11.6
63.72335	0.6
67.24786	0.6
69.07921	1.4
69.08324	3.1
71.01389	10.4
72.99305	1.0
73.02950	2.5
82.02994	1.7
83.01396	1.7
84.04546	1.1
85.02962	4.4
87.00887	1.1
89.02454	6.4
95.01397	1.0
97.06590	1.8
99.00880	0.7
99.04523	0.8
101.02451	7.2
104.82621	0.6
109.04089	4.2
111.40302	0.6
112.98806	1.5
113.02462	4.4
119.03504	2.8
127.05148	28.0
128.03564	9.5
133.02931	2.0
135.04515	1.3
136.04941	0.7
139.08751	0.8
139.11302	1.3
143.03525	0.6
145.05135	1.2
145.06192	7.9
149.04535	0.7
155.10785	0.8
156.13911	4.8
161.02507	1.1
161.04607	1.3
167.10852	0.8
179.03497	1.5
179.05615	1.3
184.13466	2.3
191.05577	1.7
223.18172	1.5
251.17699	8.9
269.18839	2.0
280.17865	1.0
298.19098	1.1
327.21906	1.3
357.25406	1.1
437.26749	3.7
453.29941	4.1
455.27640	10.2
456.28525	0.7
497.28656	4.7
515.29578	100.0
516.29913	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	515.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27177	1.2
57.36520	1.4
59.01384	19.6
59.04000	1.1
61.98832	18.0
63.88504	1.3
71.01388	4.4
72.04564	1.2
82.02982	4.0
82.95430	4.1
83.01419	1.1
84.00105	1.4
84.04567	1.8
88.13493	1.3
89.02452	3.0
89.28362	1.3
93.03457	1.7
98.22643	2.6
99.00964	1.3
101.02445	3.0
108.51203	1.3
109.04070	3.4
112.98833	2.4
127.05145	32.9
128.03542	10.9
133.02934	1.9
134.03558	1.2
135.04547	3.4
139.11258	1.8
145.06194	7.9
156.13957	4.0
161.02406	1.8
173.04565	1.8
178.05069	1.8
179.03500	2.1
184.13446	2.7
191.05666	2.2
200.85176	1.2
223.18283	1.6
223.20404	1.2
251.17827	8.7
269.04520	1.8
269.18631	2.2
280.18045	1.5
285.04080	1.9
290.20850	1.4
298.18948	2.6
327.21872	2.2
418.12466	1.5
433.14954	10.0
437.26614	5.1
453.29556	3.5
455.27606	15.5
477.23746	2.0
497.28610	4.4
515.29749	100.0
516.29999	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	515.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
59.01387	6.4
61.98814	0.3
71.01388	3.9
73.02963	1.0
75.00873	0.3
78.95917	0.3
83.01398	0.4
85.02965	1.0
87.00863	0.5
89.02454	3.4
91.04002	0.1
95.01414	0.3
97.02943	0.2
99.00894	0.3
101.02452	4.0
103.22579	0.1
108.68303	0.1
113.02460	1.7
115.84057	0.1
119.03513	0.8
133.05122	0.2
143.03543	0.3
148.33026	0.1
149.26457	0.1
152.99622	0.3
157.05142	0.2
161.04597	1.6
179.05626	0.6
196.92261	0.1
235.08244	1.2
253.09315	13.2
254.09639	0.2
261.22263	0.3
279.23312	100.0
280.23685	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	515.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45922	0.2
55.01881	0.2
58.87091	0.2
59.01382	6.8
69.98903	0.2
71.01022	0.3
71.01388	4.1
73.02938	1.0
76.96428	0.2
78.95907	2.7
83.01396	0.6
85.02946	1.2
87.00875	0.5
89.02453	3.3
91.04029	0.2
95.01393	0.4
101.02450	4.2
113.02470	2.2
119.03461	0.9
133.05132	0.2
142.46367	0.2
143.03477	0.3
152.99600	3.8
161.04581	1.5
171.00642	0.3
179.05620	0.6
229.49725	0.2
235.08290	0.6
253.09303	13.4
254.09676	0.5
261.22290	0.4
279.23303	100.0
280.23651	4.9
369.75546	0.2
386.67548	0.2
433.23380	0.7
439.20667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35472	0.7
57.03445	1.8
58.68029	0.8
59.01387	6.7
60.99317	5.5
61.98842	6.9
66.56619	0.9
67.01895	14.3
69.03480	4.1
71.01387	7.8
73.02955	0.9
81.03460	2.9
82.95419	5.9
83.05067	2.0
84.95135	2.5
85.02962	2.4
87.00887	19.8
89.02456	1.6
93.03469	100.0
94.03783	1.2
95.05037	1.1
99.00877	2.3
99.04490	1.5
101.02441	1.7
102.05613	1.0
105.03503	1.0
109.02955	1.8
111.04527	12.7
113.02438	1.8
115.03976	0.9
116.92868	1.6
128.03522	0.9
129.01952	2.4
132.04570	2.4
133.02974	13.7
134.03767	4.2
134.06110	2.1
135.04555	19.6
136.04832	1.0
137.02469	1.5
149.04654	1.4
153.53496	0.9
155.03522	3.8
161.02487	1.9
165.05475	1.0
173.04579	65.7
174.04906	1.1
176.03621	1.4
177.01967	4.3
178.02698	1.0
178.05083	1.4
179.03529	8.9
191.05721	5.1
228.91113	0.9
254.92914	0.9
285.04053	1.7
310.07153	1.5
342.09814	4.2
365.08960	1.0
366.09567	6.1
367.10339	13.2
431.09595	2.0
460.77103	0.9
516.15125	47.6
516.28314	3.1
517.15234	3.3
517.22552	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	516.199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.7
62.32463	0.5
65.97769	0.7
70.65005	1.1
72.00916	6.3
74.02477	11.6
75.13979	0.6
94.76610	0.7
96.19758	0.6
103.27225	0.6
109.64106	0.6
110.11211	0.7
111.84230	0.6
116.05074	38.5
117.05417	1.2
130.17807	0.8
130.45073	0.6
132.04588	3.4
135.04526	1.1
142.06619	10.1
153.60304	0.7
159.09283	9.3
179.03426	1.6
180.03773	1.1
186.05627	1.5
191.05641	1.2
203.08272	100.0
204.08716	3.5
222.94167	0.6
342.09427	0.8
516.13806	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98834	100.0
67.71509	0.8
70.56702	1.2
76.82290	0.9
123.76897	1.0
184.13768	0.9
187.29120	0.8
188.17668	0.9
206.84770	0.9
251.34064	1.0
282.86401	0.9
469.78336	1.0
496.31860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25178	0.4
59.01384	4.8
61.98835	100.0
67.51759	0.5
69.16957	3.1
71.01405	0.9
74.02509	0.5
85.02956	0.7
86.20232	0.5
89.02461	1.2
101.02469	1.1
102.05638	1.5
112.98824	1.0
121.02997	0.7
122.58710	0.4
128.03587	2.1
146.04660	0.7
157.14522	0.6
191.05675	1.0
289.88675	0.5
327.21854	1.6
354.17419	1.2
387.23740	0.6
460.63235	0.6
516.28290	4.6
517.29773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01381	10.6
61.98835	100.0
71.01382	3.4
71.44407	0.9
72.57935	1.0
73.02940	2.2
85.02991	1.4
87.00861	1.0
87.18204	1.0
89.02448	1.7
92.56973	1.2
94.28343	0.9
101.02439	2.7
102.05580	3.2
111.83466	0.9
112.98811	1.8
113.02373	1.3
113.06955	1.0
128.03529	4.4
144.94380	1.0
179.10735	1.1
191.05656	2.3
373.18661	1.8
516.28491	6.4
517.13605	1.1
517.29944	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60450	0.5
57.03444	1.6
59.01121	0.8
59.01388	10.6
61.98833	6.9
69.48980	1.2
69.49364	1.6
71.01385	3.0
72.04531	0.6
73.02939	0.6
74.02481	1.4
82.02971	0.5
82.92456	0.5
84.04545	3.8
85.02951	1.4
87.00848	0.6
89.02425	1.5
93.03478	1.4
95.04993	0.6
97.06590	2.4
99.04517	0.8
101.02460	2.4
102.05611	10.4
103.78871	0.5
112.98808	0.6
113.02441	1.2
114.09263	1.1
121.02974	2.0
123.08166	1.9
128.03545	34.1
132.04533	2.0
133.02937	2.2
135.04514	0.8
135.08257	0.7
139.11296	3.6
146.04579	2.4
148.04048	1.2
156.13940	1.1
160.04076	0.6
161.04552	0.6
173.04601	1.9
174.05493	0.6
177.04280	0.9
184.13422	0.7
185.11841	6.0
186.47766	0.5
190.34914	0.6
191.05608	1.9
198.18660	2.5
213.48912	0.5
226.18167	1.0
270.17255	0.9
276.71069	0.7
291.19714	2.0
309.20810	1.7
310.07294	1.4
314.61218	0.6
325.23840	9.2
326.24133	0.7
327.21768	31.1
328.21942	0.7
385.22604	0.8
387.23880	11.7
388.24500	1.1
410.29074	2.1
412.27185	6.1
438.24591	0.9
454.28061	2.6
456.26007	4.8
484.12109	0.7
498.27148	2.1
516.28162	100.0
517.28516	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	516.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01384	6.5
61.98834	100.0
62.86523	0.3
69.28629	1.7
70.93067	0.3
71.01393	2.5
72.13047	0.3
73.02943	0.5
74.02479	0.4
84.04563	1.4
85.02968	0.9
87.00897	0.5
89.02468	1.7
93.03454	0.8
97.06579	0.7
101.02456	1.4
102.05608	4.2
112.98837	0.6
113.02484	0.7
114.09188	0.3
119.03552	0.4
121.02956	1.1
123.08164	0.7
124.75282	0.3
125.02428	0.3
128.03554	10.1
135.04549	1.0
137.02493	1.0
139.11308	0.9
142.83470	0.3
146.04626	1.0
148.04079	0.6
157.12448	0.4
160.04048	0.3
161.02507	0.6
161.04539	0.5
173.04581	0.3
179.03499	0.5
180.03702	0.3
185.11847	1.4
190.05090	0.6
191.05627	1.1
198.18559	0.9
202.05069	0.7
214.12090	0.5
214.95192	0.3
215.05846	0.6
226.18146	0.6
268.03705	0.5
269.04361	0.5
291.19440	0.5
309.20947	0.7
324.08719	0.7
325.23846	3.5
327.21771	9.8
328.22034	0.3
354.17456	0.9
387.23901	3.5
410.29355	0.6
412.27002	2.5
416.59369	0.3
438.24802	0.4
454.28082	0.9
456.25955	1.4
498.27173	0.9
516.28186	30.8
517.29321	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	516.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73352	34.2
58.71217	32.2
61.17591	39.9
71.42361	38.2
73.10325	33.7
81.37418	34.6
84.79406	36.8
92.41395	32.9
144.38976	40.9
264.13824	42.7
302.96918	36.0
516.20459	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	517.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	74.8
61.25341	0.5
61.98840	0.6
64.06662	0.5
77.03277	0.5
132.98209	1.8
157.03577	1.3
174.99260	31.2
201.02576	9.1
204.55164	0.6
215.48566	0.5
217.00313	100.0
218.00647	1.7
291.92838	0.5
292.96136	0.9
343.03665	0.6
359.01474	10.6
374.99231	52.9
375.99448	1.7
429.05557	0.7
502.08398	0.5
516.96143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
57.21818	1.4
59.01388	14.2
61.98852	7.1
71.01380	4.0
72.26006	1.2
81.94473	1.3
83.01387	1.6
85.02961	2.1
87.00883	1.3
89.02422	3.6
93.03464	3.4
98.21812	2.9
101.02445	5.8
107.01352	4.5
108.02139	1.8
112.98795	5.7
113.02434	1.7
117.03426	3.2
119.03408	1.7
121.02977	3.3
123.04472	2.0
133.02934	1.4
133.33789	1.2
135.04553	6.7
137.02402	5.6
141.09224	2.3
149.02451	2.9
151.00363	4.6
161.02390	3.4
171.04440	1.4
172.05280	1.7
177.01924	2.4
179.03513	3.9
179.10803	3.0
190.05074	2.1
211.03931	2.3
223.09743	3.5
239.03397	3.4
240.04181	5.6
267.03012	1.9
268.03806	100.0
269.04562	95.4
270.04727	3.2
281.04752	1.7
293.02780	2.1
305.08090	1.6
323.09109	4.9
337.10883	2.8
355.09952	2.1
366.10870	1.8
381.13608	10.4
517.13251	79.3
517.29828	4.3
518.13483	4.2
543.92902	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	517.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.7
57.48781	1.7
59.01387	90.4
61.98846	4.5
62.06321	1.5
71.01392	56.1
72.99304	4.3
73.02955	16.2
73.74146	1.5
75.00887	2.1
76.81983	1.5
83.01392	4.9
83.05028	2.5
85.02965	10.3
87.00892	23.2
89.02455	65.2
92.61179	1.8
93.03487	2.4
95.01379	3.5
97.02944	3.2
99.00883	13.3
101.02459	37.7
107.05039	2.2
107.55797	1.6
109.02985	2.3
111.04514	4.8
112.98843	8.6
113.02464	15.9
113.06065	1.7
115.04065	1.9
119.03515	6.9
120.05815	2.1
120.99660	2.1
121.10219	3.6
125.02443	6.0
128.03517	3.0
128.90144	2.0
129.01924	2.4
130.08791	3.3
130.99828	2.3
131.03535	12.3
133.10291	2.4
134.06100	3.7
135.04535	3.0
135.11824	15.1
137.09752	1.7
139.04059	3.7
143.03516	1.6
149.00952	6.2
149.04568	29.6
149.05930	3.8
149.09727	5.9
155.09505	1.7
155.10768	2.2
158.02490	6.0
159.08159	10.2
159.11804	9.4
161.02443	1.9
161.04541	6.7
161.09741	36.7
163.11284	3.8
177.12880	2.1
179.05608	3.4
179.10796	79.3
185.09613	1.6
190.05133	19.8
191.05653	21.3
193.12338	9.3
199.09778	3.7
202.18439	1.9
203.10802	44.3
204.11037	2.1
205.08699	2.5
205.12367	9.3
221.11844	15.5
223.09773	100.0
224.10173	3.4
233.06612	2.5
233.11876	5.1
239.09265	1.8
251.12808	1.8
265.10870	4.6
267.06628	2.6
269.01825	1.7
275.07718	2.0
293.08832	4.0
295.11905	10.6
325.07236	2.4
325.13000	37.4
337.12015	4.0
379.96140	1.9
385.15063	62.7
386.15369	3.5
517.17084	13.1
517.30688	3.3
518.26044	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	517.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	4.4
59.01083	5.5
59.01385	100.0
69.03458	7.2
71.01389	89.7
73.02947	15.6
74.02490	20.9
75.00896	3.7
83.01396	5.3
85.02966	14.4
88.64235	3.7
89.02453	95.7
97.02924	15.1
99.00884	20.0
101.02473	24.4
102.05612	22.7
113.02449	14.7
115.04014	5.2
118.73488	3.7
119.03485	5.3
125.02463	52.6
128.03569	40.2
131.03500	14.1
135.04517	12.0
139.22273	3.9
148.05339	42.9
149.04530	14.4
161.02480	4.2
163.07674	9.9
171.83073	3.9
179.03610	4.5
191.05624	12.2
221.19023	11.1
233.06723	32.8
265.18066	10.2
283.19223	12.6
293.08832	76.4
296.22260	5.0
326.23480	8.4
358.22211	7.9
388.23514	7.5
517.27643	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15806	0.4
55.01878	1.1
56.60248	0.5
57.03452	1.9
58.00605	1.3
59.01385	88.1
60.01705	0.6
61.98835	2.6
69.03468	1.9
69.16718	2.8
71.01388	56.0
72.99319	1.2
73.02952	22.8
74.02500	0.8
81.03470	1.1
81.33916	0.5
83.01401	2.2
85.02958	8.6
86.00100	0.6
87.00883	4.6
87.04517	1.1
89.02454	100.0
90.02773	0.6
93.03498	0.6
95.01395	0.8
97.02953	3.5
99.00889	29.8
99.04526	0.8
101.02453	38.7
102.05711	0.4
107.05038	0.5
109.02949	0.6
111.00900	1.2
113.02470	10.1
115.04023	1.4
119.03513	5.1
125.02460	7.6
127.04044	0.8
127.05186	1.3
128.03546	1.4
131.03517	23.4
133.03029	0.6
134.03767	1.4
135.04538	2.0
143.03487	2.5
145.06267	0.9
149.04570	69.7
150.04868	0.5
154.99907	1.0
155.03468	0.4
161.02495	0.6
161.04565	3.3
161.05870	0.6
161.09738	0.6
163.11273	0.9
165.09229	1.0
168.69913	0.6
173.04558	0.9
176.08464	1.5
179.03424	1.0
179.10782	1.1
181.12375	1.5
187.11295	5.3
190.05150	0.9
190.10004	1.2
191.05635	23.1
192.06067	0.6
204.11542	1.3
205.12311	4.4
216.80180	0.5
221.06673	2.8
223.09810	0.6
223.13513	0.8
233.06680	1.1
233.11835	0.8
251.07703	5.1
285.03952	0.8
293.04919	0.6
293.08777	3.2
299.16306	0.5
311.09644	1.1
325.07010	1.0
389.25153	0.6
400.80243	0.5
443.75961	0.6
503.26804	0.7
517.22729	7.8
517.31036	4.7
518.30292	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.7
57.03458	3.9
58.00611	1.8
59.01384	100.0
59.17305	0.5
60.01717	0.9
61.98829	2.3
64.89819	0.5
68.99819	0.5
69.03460	6.9
69.41850	2.4
71.01389	66.6
71.05025	0.7
72.01730	0.9
72.99315	2.2
73.02953	24.0
75.00892	3.5
81.03464	3.6
83.01394	5.7
83.05056	1.2
85.02465	1.0
85.02960	16.4
86.00114	1.2
87.00886	8.5
89.02454	81.8
90.02802	1.0
93.03522	0.7
95.01399	3.9
95.05040	0.9
97.02957	10.4
98.21955	1.2
99.00890	30.4
99.04523	2.0
101.02454	34.3
102.02869	0.6
105.01942	2.4
107.05014	1.5
109.02991	2.9
111.00881	1.6
111.04508	2.2
111.08163	1.2
113.01723	0.7
113.02464	13.8
115.00329	0.6
115.04021	4.8
116.92902	0.8
117.01896	0.8
117.05582	1.0
118.96635	0.5
119.03513	4.7
125.02461	21.8
125.06132	0.5
127.03980	1.0
131.03522	16.2
131.04956	0.7
135.04466	1.7
137.02364	0.5
137.09721	1.0
141.01939	1.1
143.03525	3.9
147.08083	0.6
148.04039	1.3
149.04570	31.3
151.11307	0.6
159.02917	0.8
159.04480	0.9
161.02437	1.1
161.04559	4.7
161.09671	1.3
163.11299	12.4
165.09206	3.4
165.12862	1.2
166.05080	4.5
171.08176	1.2
173.04550	1.3
179.03491	1.1
179.05574	1.1
179.10805	1.0
181.12358	26.5
182.12782	0.6
183.10219	1.2
187.11308	11.6
189.12775	3.1
190.10042	3.1
191.05635	11.8
192.05972	0.8
205.07056	1.0
205.12355	11.8
221.06642	0.9
223.09662	1.0
223.13342	2.0
229.12099	0.6
233.06674	14.5
247.13446	3.4
251.07616	1.4
255.02679	0.6
262.40546	0.5
267.06528	0.8
275.07681	3.1
285.04092	3.5
293.08810	14.2
294.08969	2.4
295.15479	1.2
367.17606	3.7
379.17468	2.0
380.45013	0.6
444.10083	0.6
453.48538	0.5
457.20792	0.7
475.21405	1.4
499.21793	4.6
517.22345	5.7
517.30060	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	517.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.8
57.03445	4.2
58.00607	2.0
59.01384	98.3
61.98838	10.9
64.09618	0.7
64.71454	0.8
67.01875	0.9
69.03452	2.9
69.21843	4.7
71.01388	72.6
71.04994	0.8
72.99316	3.0
73.02953	21.2
75.00904	1.0
76.20072	0.7
81.03462	1.6
83.01391	8.9
83.05009	0.8
85.02951	13.7
86.00108	1.0
87.00879	11.1
87.04512	1.1
89.02453	100.0
90.02763	1.0
93.03456	1.7
95.01394	2.5
96.99743	0.7
97.02947	4.0
98.23137	0.7
99.00891	18.9
99.04535	1.3
101.02451	48.2
105.01929	1.1
106.06618	1.4
109.02952	1.2
111.00928	3.8
111.04525	1.3
112.98827	8.2
113.02454	17.8
115.04007	2.1
119.03525	6.9
121.02972	0.8
125.02454	9.1
127.00419	4.4
127.05164	3.5
128.03535	1.3
131.03520	33.3
133.02986	1.2
134.06151	1.0
135.04515	1.7
135.11780	0.7
137.02490	0.9
137.09703	2.3
139.04041	1.1
139.08745	0.7
141.01888	1.1
143.03474	3.4
145.06142	1.8
149.04567	72.0
150.05659	2.0
151.04025	0.9
154.99878	12.7
155.10785	13.4
159.03008	0.8
160.04086	0.8
161.02426	1.5
161.04605	4.4
161.09688	1.2
163.11234	2.2
165.09180	0.8
179.03459	1.2
179.10715	2.2
181.08719	1.4
181.12369	6.2
187.11325	6.2
189.12834	1.1
190.05070	1.1
190.09996	1.5
191.05621	25.2
199.09737	9.3
203.10754	1.7
205.12340	6.8
217.12253	0.9
221.11697	1.8
223.09773	1.4
223.12431	0.9
233.06717	4.2
241.10677	2.4
247.13278	1.0
251.07590	2.8
275.07739	1.4
285.03952	1.2
293.08719	5.5
295.11218	0.9
295.15308	1.3
299.15915	1.0
311.10086	0.9
317.05026	1.7
327.10736	1.7
329.17145	1.8
349.48141	0.8
357.11804	1.0
385.18411	1.8
517.22241	9.0
517.30792	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	517.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
57.03442	2.3
58.00596	1.1
59.01387	100.0
61.98825	0.9
69.03455	3.4
69.51733	2.1
70.78923	1.0
71.01392	72.0
72.99316	2.4
73.02955	14.1
81.03461	1.5
83.01399	3.7
83.05063	1.1
85.02470	0.9
85.02962	12.0
86.00074	1.2
87.00890	8.6
89.02457	92.4
95.01361	1.0
97.02986	6.3
99.00893	2.7
101.02458	36.9
111.00892	2.8
113.02459	12.5
113.06156	0.9
115.03983	1.3
119.03545	4.4
122.03705	1.0
125.02461	12.4
125.06114	1.9
131.03522	37.3
132.03833	1.3
136.05328	2.6
138.06883	9.7
139.07666	2.8
143.03543	1.0
149.04572	41.3
150.04823	0.9
151.07674	6.1
152.08449	25.9
153.09233	30.7
161.04573	2.3
163.11307	4.9
179.10759	1.4
190.10045	1.3
191.05641	19.6
193.05115	1.2
205.12360	40.8
210.93913	0.9
223.09769	1.2
223.13454	3.8
233.06686	4.8
266.78448	0.8
293.08792	11.4
311.05954	1.2
365.14673	1.4
385.18771	2.2
517.10461	1.6
517.22998	41.9
518.23425	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	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03441	3.6
59.01383	97.5
61.98838	1.5
69.03458	2.0
71.01385	69.8
71.40932	1.5
72.99322	1.7
73.02953	23.3
75.00920	1.2
77.39230	0.9
81.03451	2.2
83.01395	3.8
83.05009	1.2
85.02953	8.5
87.00893	3.8
89.02450	100.0
95.01398	2.3
97.02956	4.7
99.00887	33.4
101.01797	2.0
101.02454	37.3
102.98580	5.9
107.05049	1.5
109.02980	2.2
112.98811	2.5
113.02454	11.8
115.03986	0.9
119.03502	6.6
120.99637	1.6
123.00896	2.1
125.02460	13.5
131.03516	17.8
133.02936	1.6
134.03751	1.0
134.06145	1.2
135.04524	4.1
135.11824	2.0
137.02443	1.0
138.03252	7.1
143.03502	2.6
145.02988	1.1
147.08139	1.4
149.02509	2.5
149.04565	53.1
149.06004	4.5
153.05591	16.9
158.02481	2.6
159.08170	1.2
161.02435	1.6
161.04538	2.9
161.09709	3.6
163.11285	7.1
164.04860	1.7
167.07086	1.1
176.04932	1.0
179.03473	2.9
179.10765	9.1
187.11261	1.7
189.09209	1.2
190.05081	9.5
191.05618	14.0
203.10791	1.4
205.12337	19.3
209.02525	1.0
221.06577	1.5
223.06100	2.8
223.09775	12.4
225.05956	18.5
226.06313	1.3
233.06635	7.7
251.07787	5.0
257.08093	1.8
266.34726	1.0
293.03012	1.1
293.08752	5.2
314.12457	1.5
317.94482	1.0
337.11777	1.7
385.15103	6.1
387.11188	2.7
475.12695	2.5
517.17480	3.1
517.23688	2.3
517.30786	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.00591	1.0
59.01384	79.8
61.98837	1.4
64.37256	0.7
65.14089	0.8
66.41281	0.7
71.01389	49.9
72.99327	1.7
73.02950	19.1
77.24136	0.8
79.55470	0.9
83.01393	1.7
85.02959	7.5
85.06533	0.7
87.00892	1.5
89.02454	100.0
97.02960	2.3
99.00888	27.6
99.04529	0.9
101.02451	38.2
105.35495	0.8
113.02470	7.7
115.04009	1.3
119.03514	2.9
125.02469	3.8
131.03522	18.3
131.07216	1.0
134.03770	0.8
135.04552	1.6
143.03514	2.7
144.26424	0.8
149.04567	63.0
152.08464	0.8
153.09230	1.1
161.02408	1.0
161.04532	4.2
179.03442	1.0
179.10834	2.1
183.35416	0.8
191.05649	19.2
203.10811	1.0
205.12396	2.3
221.06593	4.5
223.09831	2.3
251.07756	2.8
276.48770	0.7
293.04816	1.0
293.08817	2.7
311.05588	1.1
311.09937	1.7
385.15237	1.4
424.09070	0.8
435.03082	0.8
461.83179	0.8
517.09979	2.5
517.22852	1.7
522.57874	0.8
530.30737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35664	1.7
55.01880	6.1
57.03448	8.9
59.01387	71.9
60.78012	1.5
61.98833	15.5
62.30770	1.7
70.43372	1.7
71.01389	100.0
72.99342	2.0
73.02951	37.7
75.00850	2.8
81.03461	1.8
81.07104	11.6
83.01392	16.3
83.05034	2.3
85.02956	48.2
85.03475	2.3
87.00876	5.8
89.02453	20.9
95.01404	6.3
97.02995	2.0
99.00873	12.6
101.02449	74.8
113.02460	50.8
119.03503	6.6
121.67894	1.7
129.02010	2.6
131.03517	1.8
131.45720	1.6
132.04573	2.1
141.44965	2.0
143.03506	5.5
148.04028	2.2
149.04556	1.8
159.03018	12.2
161.04576	55.8
179.05623	2.0
185.98325	1.8
190.05072	3.9
195.17612	3.4
211.17024	12.5
277.84335	1.8
311.26108	2.0
337.12021	2.0
339.25363	5.2
355.24930	12.5
373.22354	27.3
385.21976	3.1
397.25873	2.0
415.26938	2.8
473.31247	30.9
517.30286	98.7
518.30713	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	517.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01833	0.5
55.01875	0.6
57.03438	1.7
59.01385	22.3
61.98825	1.7
69.03439	0.8
70.78307	0.5
71.01390	15.9
71.05008	0.9
72.04562	0.7
73.02943	4.2
74.02480	1.0
82.02985	2.2
83.01414	0.5
83.06141	1.3
84.04544	2.0
85.02959	3.3
87.00874	2.1
87.04521	2.9
89.02453	26.2
90.02789	0.5
93.03486	0.7
97.06638	0.7
99.00882	4.3
99.08192	0.5
101.02457	11.0
109.04089	4.7
109.06606	0.8
113.02451	3.4
119.03493	1.7
123.08195	0.8
125.02534	1.2
125.09734	1.9
125.33228	0.5
127.05150	24.4
127.07679	0.7
128.03558	12.3
131.03525	7.0
137.09732	0.7
139.08797	0.6
142.12395	3.3
145.06200	9.0
149.04572	18.1
152.10809	1.6
153.09219	1.5
154.99942	0.8
155.10768	0.7
158.02431	0.8
161.04559	0.8
170.11874	2.2
171.10289	0.9
187.11293	1.2
187.13284	0.7
190.05124	1.7
190.10117	0.6
191.05614	7.1
205.12346	0.6
209.16739	1.0
215.12971	0.7
219.14987	0.7
237.16125	10.7
241.65668	0.6
245.13794	0.8
246.14584	0.8
251.07997	0.5
255.17177	2.8
283.31134	0.6
285.04086	1.4
293.08792	0.7
314.12283	0.7
325.07205	0.6
371.24408	4.8
385.22186	0.7
389.25259	0.7
396.35110	0.5
499.30292	5.1
517.31342	100.0
518.31610	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	517.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01833	0.5
55.01875	0.6
57.03438	1.7
59.01385	22.3
61.98825	1.7
69.03439	0.8
70.78307	0.5
71.01390	15.9
71.05008	0.9
72.04562	0.7
73.02943	4.2
74.02480	1.0
82.02985	2.2
83.01414	0.5
83.06141	1.3
84.04544	2.0
85.02959	3.3
87.00874	2.1
87.04521	2.9
89.02453	26.2
90.02789	0.5
93.03486	0.7
97.06638	0.7
99.00882	4.3
99.08192	0.5
101.02457	11.0
109.04089	4.7
109.06606	0.8
113.02451	3.4
119.03493	1.7
123.08195	0.8
125.02534	1.2
125.09734	1.9
125.33228	0.5
127.05150	24.4
127.07679	0.7
128.03558	12.3
131.03525	7.0
137.09732	0.7
139.08797	0.6
142.12395	3.3
145.06200	9.0
149.04572	18.1
152.10809	1.6
153.09219	1.5
154.99942	0.8
155.10768	0.7
158.02431	0.8
161.04559	0.8
170.11874	2.2
171.10289	0.9
187.11293	1.2
187.13284	0.7
190.05124	1.7
190.10117	0.6
191.05614	7.1
205.12346	0.6
209.16739	1.0
215.12971	0.7
219.14987	0.7
237.16125	10.7
241.65668	0.6
245.13794	0.8
246.14584	0.8
251.07997	0.5
255.17177	2.8
283.31134	0.6
285.04086	1.4
293.08792	0.7
314.12283	0.7
325.07205	0.6
371.24408	4.8
385.22186	0.7
389.25259	0.7
396.35110	0.5
499.30292	5.1
517.31342	100.0
518.31610	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	517.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01833	0.5
55.01875	0.6
57.03438	1.7
59.01385	22.3
61.98825	1.7
69.03439	0.8
70.78307	0.5
71.01390	15.9
71.05008	0.9
72.04562	0.7
73.02943	4.2
74.02480	1.0
82.02985	2.2
83.01414	0.5
83.06141	1.3
84.04544	2.0
85.02959	3.3
87.00874	2.1
87.04521	2.9
89.02453	26.2
90.02789	0.5
93.03486	0.7
97.06638	0.7
99.00882	4.3
99.08192	0.5
101.02457	11.0
109.04089	4.7
109.06606	0.8
113.02451	3.4
119.03493	1.7
123.08195	0.8
125.02534	1.2
125.09734	1.9
125.33228	0.5
127.05150	24.4
127.07679	0.7
128.03558	12.3
131.03525	7.0
137.09732	0.7
139.08797	0.6
142.12395	3.3
145.06200	9.0
149.04572	18.1
152.10809	1.6
153.09219	1.5
154.99942	0.8
155.10768	0.7
158.02431	0.8
161.04559	0.8
170.11874	2.2
171.10289	0.9
187.11293	1.2
187.13284	0.7
190.05124	1.7
190.10117	0.6
191.05614	7.1
205.12346	0.6
209.16739	1.0
215.12971	0.7
219.14987	0.7
237.16125	10.7
241.65668	0.6
245.13794	0.8
246.14584	0.8
251.07997	0.5
255.17177	2.8
283.31134	0.6
285.04086	1.4
293.08792	0.7
314.12283	0.7
325.07205	0.6
371.24408	4.8
385.22186	0.7
389.25259	0.7
396.35110	0.5
499.30292	5.1
517.31342	100.0
518.31610	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	518.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87275	0.9
53.70594	0.8
54.72761	0.8
59.01384	10.8
59.44850	1.0
61.98836	16.4
64.59753	0.8
69.08741	5.5
71.01393	8.9
73.02962	1.3
73.41280	0.9
78.50698	0.9
83.01424	0.9
85.02946	1.5
87.00846	1.0
88.98813	2.5
89.02453	9.2
98.22637	1.6
101.02436	4.6
113.02440	2.8
119.03506	2.1
121.02968	1.4
125.02412	1.6
127.37962	0.8
131.03539	2.1
133.02965	6.1
133.99451	0.9
134.03761	7.1
135.04536	83.4
136.04893	2.2
137.02509	1.4
139.42537	0.9
140.25211	0.8
149.02490	1.9
149.04585	2.2
149.06105	1.8
150.03229	4.0
151.04004	1.5
158.93463	0.9
161.02486	13.8
165.01054	1.0
165.05589	4.1
175.04022	1.1
177.01933	2.4
178.02660	1.1
179.03516	100.0
180.03865	1.9
180.11182	2.0
185.70898	0.9
191.05687	1.2
193.05022	1.5
223.09772	1.5
224.10135	1.4
229.74893	1.0
329.45920	1.0
329.49997	1.0
339.05069	1.7
348.95236	1.1
411.13040	2.6
455.11990	29.0
456.12112	2.2
475.22079	7.4
518.16467	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	518.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98836	100.0
71.39411	0.5
71.77473	0.5
73.53238	0.4
81.62610	0.4
89.97533	0.5
102.15914	0.5
157.02600	0.5
225.04324	0.5
239.37840	0.5
293.08871	1.2
317.08734	0.9
347.09915	0.5
518.14008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.0
60.01723	0.4
61.98836	100.0
69.37018	1.8
69.45409	0.3
71.01392	3.8
72.01744	0.8
73.01799	0.5
73.02966	0.8
85.02962	0.8
87.00890	0.5
89.02451	2.0
91.02889	0.5
101.02468	1.4
106.34462	0.4
113.02480	0.8
121.03002	0.4
131.03534	0.5
136.01724	0.5
147.06627	0.7
149.04561	0.5
151.04071	0.4
164.08368	0.5
191.05695	1.1
396.15695	1.0
397.16168	1.0
398.16467	2.3
426.16089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62390	1.3
57.95084	1.4
59.01384	65.0
61.98831	3.5
63.21835	1.2
70.81041	1.7
71.01388	12.3
72.99303	1.4
73.02950	22.8
83.94721	1.2
85.02935	6.8
87.00883	6.1
87.04514	2.5
89.02469	15.4
90.99018	1.3
101.02448	29.2
103.04032	13.7
115.04024	5.6
119.03532	6.4
122.96435	1.4
125.02470	2.1
131.03490	6.3
132.04568	100.0
133.04887	2.1
133.87373	1.3
143.03528	8.1
143.04527	1.4
143.41382	1.3
145.05086	3.4
154.00418	1.4
163.06140	27.0
180.38129	1.3
191.05563	1.3
193.12373	1.4
204.00192	1.5
205.07173	11.4
232.39987	1.6
236.84256	1.4
260.41208	1.3
280.06158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98391	1.0
55.01748	0.8
59.01383	1.5
61.98827	1.5
78.95912	46.1
96.32581	0.8
96.96987	5.4
101.83069	0.9
103.81591	0.9
128.08997	0.8
131.90398	0.8
141.70131	0.9
146.15987	0.9
150.97995	1.4
152.99606	100.0
153.99956	0.9
171.00626	3.4
178.01611	0.9
181.18053	0.9
208.57675	0.9
213.13223	1.1
277.21732	1.2
302.47458	1.0
399.92957	1.0
431.16199	1.4
431.22040	22.8
518.25275	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	518.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23026	1.7
58.47320	1.8
59.01369	2.9
61.98838	100.0
70.17452	5.2
170.88380	2.3
196.60385	2.3
293.21393	2.1
313.09741	2.1
319.38013	2.1
371.45865	1.9
455.26425	12.8
518.15033	2.5
531.01556	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	518.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03453	4.2
58.00593	1.4
59.01384	26.0
60.01711	0.7
61.98832	5.1
69.03460	1.2
69.32110	3.1
71.01392	19.6
71.05032	1.0
72.99325	1.2
73.02954	11.0
74.02480	2.0
83.01391	3.8
84.01709	0.8
84.04556	6.3
85.02962	10.9
87.00868	3.4
87.04522	3.4
89.02449	11.9
92.20039	0.7
93.03463	1.1
95.01369	1.7
97.02928	1.4
98.02438	0.7
99.00880	3.9
101.02460	16.0
101.06097	1.0
102.02787	1.4
102.05618	17.3
107.27535	0.7
109.02955	1.0
111.00890	1.1
111.08204	1.0
113.02480	6.6
114.09238	1.3
115.04057	0.9
115.82075	0.7
119.03503	3.0
121.02982	1.4
123.08195	1.6
125.02479	2.1
125.09736	6.3
128.03555	40.8
131.03523	2.0
132.04573	1.7
135.04529	2.0
136.01624	1.3
136.86102	0.8
139.11356	0.9
142.12350	0.9
143.03491	1.1
146.04596	2.9
148.43953	0.7
149.00931	1.8
149.04562	3.3
151.04010	1.7
152.10689	1.3
153.09216	2.5
155.10779	1.4
161.04579	4.3
162.04869	1.1
163.06158	1.4
171.10277	12.5
177.01920	1.0
179.07083	1.0
179.10800	1.6
184.17055	2.0
190.05017	1.0
191.05649	2.2
194.55698	0.7
197.11971	0.7
201.11345	18.8
212.16560	1.4
225.14989	1.7
227.08371	0.8
243.16092	1.3
256.15509	3.7
268.07281	1.0
268.93015	0.8
281.32312	0.8
282.13449	1.5
286.16675	2.8
300.14597	4.2
330.15491	2.2
357.13391	1.3
371.20892	0.8
371.24490	12.9
372.21106	3.4
372.25348	0.9
386.22241	2.9
387.20096	14.9
387.23764	1.5
389.25476	10.9
456.29877	2.3
471.40015	0.8
474.31293	1.0
495.21286	0.9
500.28656	9.2
518.29810	100.0
519.24384	20.6
519.30615	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	518.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03453	4.2
58.00593	1.4
59.01384	26.0
60.01711	0.7
61.98832	5.1
69.03460	1.2
69.32110	3.1
71.01392	19.6
71.05032	1.0
72.99325	1.2
73.02954	11.0
74.02480	2.0
83.01391	3.8
84.01709	0.8
84.04556	6.3
85.02962	10.9
87.00868	3.4
87.04522	3.4
89.02449	11.9
92.20039	0.7
93.03463	1.1
95.01369	1.7
97.02928	1.4
98.02438	0.7
99.00880	3.9
101.02460	16.0
101.06097	1.0
102.02787	1.4
102.05618	17.3
107.27535	0.7
109.02955	1.0
111.00890	1.1
111.08204	1.0
113.02480	6.6
114.09238	1.3
115.04057	0.9
115.82075	0.7
119.03503	3.0
121.02982	1.4
123.08195	1.6
125.02479	2.1
125.09736	6.3
128.03555	40.8
131.03523	2.0
132.04573	1.7
135.04529	2.0
136.01624	1.3
136.86102	0.8
139.11356	0.9
142.12350	0.9
143.03491	1.1
146.04596	2.9
148.43953	0.7
149.00931	1.8
149.04562	3.3
151.04010	1.7
152.10689	1.3
153.09216	2.5
155.10779	1.4
161.04579	4.3
162.04869	1.1
163.06158	1.4
171.10277	12.5
177.01920	1.0
179.07083	1.0
179.10800	1.6
184.17055	2.0
190.05017	1.0
191.05649	2.2
194.55698	0.7
197.11971	0.7
201.11345	18.8
212.16560	1.4
225.14989	1.7
227.08371	0.8
243.16092	1.3
256.15509	3.7
268.07281	1.0
268.93015	0.8
281.32312	0.8
282.13449	1.5
286.16675	2.8
300.14597	4.2
330.15491	2.2
357.13391	1.3
371.20892	0.8
371.24490	12.9
372.21106	3.4
372.25348	0.9
386.22241	2.9
387.20096	14.9
387.23764	1.5
389.25476	10.9
456.29877	2.3
471.40015	0.8
474.31293	1.0
495.21286	0.9
500.28656	9.2
518.29810	100.0
519.24384	20.6
519.30615	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	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15784	1.9
60.08939	1.8
61.98817	6.2
70.02945	2.5
72.00902	3.8
73.04078	13.5
78.95903	5.4
87.05626	2.8
91.05547	6.0
98.21854	3.2
104.73284	2.0
112.05187	29.0
118.06628	3.1
130.06233	80.7
131.08850	2.1
147.04556	12.8
152.99585	7.3
164.07173	33.0
177.10289	5.6
189.10315	3.9
221.09288	2.4
226.21806	29.3
234.12411	6.9
266.21274	2.6
284.22308	2.4
322.25000	13.0
323.23419	3.4
340.25967	4.6
423.86084	2.4
444.32446	6.0
456.32373	2.6
475.51895	2.2
488.31357	100.0
489.31479	7.1
500.30902	2.7
518.32440	51.5
519.32391	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	519.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01167	1.9
59.01388	20.6
61.98838	30.7
70.83447	2.4
70.99896	2.7
71.01386	17.1
74.99386	4.7
76.02042	2.2
80.91695	4.1
83.01392	2.2
85.01466	2.2
86.99403	2.9
87.00887	6.4
98.99389	19.6
101.00982	9.1
102.98882	8.7
113.00968	12.9
115.02529	3.8
115.99675	4.4
117.00464	7.7
125.00945	15.7
126.98889	6.6
127.02528	4.5
129.00487	2.9
141.00458	78.4
142.00620	3.7
143.02072	2.1
143.99182	5.8
151.02596	3.9
153.00455	55.1
154.00710	2.4
155.02065	4.6
165.00502	2.8
167.02026	9.4
168.99939	5.6
171.01501	5.5
171.28864	2.0
174.99306	6.3
180.99944	3.8
183.01509	16.9
195.01492	80.8
196.01768	4.3
197.03143	2.6
201.02588	13.2
207.01596	2.7
209.03041	3.5
210.05861	1.8
213.02530	10.6
217.00333	18.8
218.00688	3.5
225.02579	7.5
243.03583	37.2
255.03690	5.9
259.82886	2.1
273.04697	100.0
274.04803	5.1
297.04572	2.3
302.98880	2.6
303.05734	3.2
315.05759	3.4
320.48532	2.0
320.52460	2.0
333.06818	47.1
334.07266	2.4
363.07858	48.5
364.07941	2.5
374.99210	10.2
423.09912	20.2
424.09750	2.5
459.09979	38.7
460.09967	3.9
519.12250	16.6
541.05426	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	519.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19061	0.7
55.32841	0.6
55.71682	0.6
59.01387	2.6
61.98835	100.0
69.58103	2.8
71.01392	2.0
73.02961	0.7
79.08204	0.7
85.02963	1.0
89.02460	0.9
93.03472	1.2
97.72945	0.7
101.02459	1.2
113.02483	0.7
121.02969	57.9
133.02980	0.9
135.04582	2.3
136.01694	2.5
148.04056	30.1
151.03992	4.0
162.03203	0.7
163.04068	0.7
171.70665	0.6
177.05626	0.9
179.05748	0.9
179.31773	0.7
181.05083	1.1
191.05679	2.8
196.03783	4.6
211.06125	7.9
253.10890	1.6
286.29434	0.7
299.68091	0.7
357.13657	2.9
456.15167	43.4
457.15652	1.6
472.58670	0.7
519.08453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13984	1.3
54.32637	1.4
55.01896	2.2
57.03448	3.8
59.01385	100.0
69.03470	3.4
69.86055	4.5
71.01390	61.7
72.99300	2.5
73.02958	22.1
74.59344	1.5
75.00883	1.6
79.94762	1.4
81.03478	3.4
83.01411	6.4
85.02958	18.7
87.00885	6.4
89.02459	55.6
91.01912	7.4
93.03472	6.8
97.02964	6.6
99.00889	3.5
101.02452	39.7
103.04020	18.3
107.05033	1.6
109.02963	1.5
111.00882	2.3
113.02443	9.8
115.04037	2.0
119.01429	4.2
119.03536	12.0
119.52917	1.3
121.02953	8.3
125.02454	28.0
127.04031	2.3
131.03500	14.3
136.81819	1.4
137.02444	5.5
138.06898	7.8
143.03503	3.6
145.05055	2.8
147.04573	4.4
149.04585	10.4
151.04022	65.8
153.09241	24.8
161.04568	7.7
163.06143	19.8
168.81079	1.5
179.05478	1.9
191.05620	5.5
205.07179	1.8
207.13919	3.1
225.11331	5.7
225.14975	27.4
233.06616	3.5
247.08197	5.0
265.04974	1.5
293.08929	4.4
307.10394	12.3
339.05045	4.4
387.20273	5.5
427.12650	2.9
519.24500	49.2
520.24609	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	519.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
57.03418	0.9
59.01385	15.8
70.72694	1.3
71.00459	0.9
71.01382	12.4
72.99308	2.8
73.02952	6.7
75.00865	1.4
83.01375	1.4
85.02948	6.7
87.00894	8.3
87.04506	0.9
89.02450	8.4
95.05012	1.7
99.00885	2.2
100.31690	0.8
101.02453	12.6
106.57095	0.8
111.08143	1.1
112.98804	2.2
113.02464	5.1
119.03455	1.0
125.02424	0.9
131.03505	1.0
149.00923	15.4
149.04559	1.9
152.03561	5.7
161.04529	4.2
163.11269	4.2
181.12358	17.0
191.05568	1.1
195.13895	1.2
205.12474	1.4
207.10161	1.0
223.13432	5.2
225.11337	100.0
226.11699	3.3
230.67632	0.9
233.06456	1.0
237.81705	0.8
249.11238	2.3
267.12311	6.6
297.13440	3.9
327.14471	12.3
387.16351	20.6
387.20328	3.2
388.16895	1.4
519.16986	2.4
519.24426	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	519.1872
Annotation	Styraxlignolide E
Peak:m/z	Relative Intensity
50.23766	1.1
55.16137	1.0
56.62655	1.1
57.03436	1.4
59.01384	19.7
61.98835	5.4
69.15611	7.0
69.85384	1.0
71.01387	8.3
73.02930	2.1
83.01402	2.0
85.02953	3.8
89.02451	4.8
95.01377	1.5
98.60654	1.1
99.04586	1.3
101.02455	6.2
105.03454	2.7
107.05055	1.7
108.02162	3.1
109.02939	2.1
112.98723	1.1
113.02461	4.4
118.04281	8.4
119.03532	1.6
120.82485	1.0
121.02950	2.1
121.06638	2.1
123.04517	2.2
125.02418	1.7
133.02951	5.0
134.03731	2.8
135.04521	2.4
135.08157	1.6
136.01727	5.9
137.02481	1.5
145.02971	1.4
149.02396	2.0
150.03210	1.3
151.04024	7.0
161.02472	2.8
162.03215	9.3
171.08147	1.3
176.01152	1.7
177.01942	39.5
177.03503	2.3
177.05151	1.2
181.82668	1.2
189.01961	3.3
190.02742	41.2
191.03372	1.8
199.07668	3.8
203.03548	1.4
204.04317	2.1
218.28137	1.2
222.01711	10.3
225.11284	2.4
230.05811	4.0
243.06615	34.4
244.07057	1.2
254.05710	1.6
257.08221	1.1
266.05811	2.1
267.06693	1.6
269.04431	4.0
279.06427	1.1
281.08148	2.4
283.09659	3.1
295.09647	1.9
296.10498	2.6
297.11374	2.2
298.12128	12.0
313.11115	1.9
313.14426	9.1
324.10062	5.0
325.10831	8.6
339.12372	17.2
340.12958	3.8
342.10840	1.7
353.09924	1.7
357.13474	100.0
358.13638	5.3
368.12631	2.6
383.14969	15.1
395.14844	1.2
399.14490	26.5
400.14670	1.4
459.16101	1.3
491.20535	2.0
498.22195	1.1
519.19635	29.4
519.31653	12.5
520.20001	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	519.1873
Annotation	Styraxlignolide E
Peak:m/z	Relative Intensity
57.03429	0.5
59.01385	4.7
71.01389	1.8
71.04056	0.5
72.47007	0.3
85.02983	0.3
89.02437	1.1
99.04524	1.0
101.02468	0.8
104.02738	0.3
104.78842	0.3
106.22839	0.3
113.02483	0.4
118.04252	6.2
121.06564	0.7
133.02914	0.3
134.03764	1.6
135.08162	0.4
143.87885	0.3
145.02972	0.4
155.08643	0.4
161.02431	0.4
162.03233	6.8
171.08182	0.8
177.01836	0.3
185.06007	0.4
189.01942	3.3
190.02728	31.8
191.03125	0.8
199.07629	2.3
203.03563	1.0
204.04251	1.2
204.09642	0.3
211.07718	0.4
215.07204	0.6
222.01744	5.3
229.05086	1.0
230.05869	2.1
236.03200	0.5
242.05951	0.4
243.06627	24.1
244.07277	1.5
245.08167	0.4
253.12315	0.5
254.05869	0.8
256.07513	0.7
257.08160	0.6
258.09058	0.3
266.05862	0.6
267.06625	1.2
269.08218	1.0
281.08188	1.3
283.09781	2.0
295.09848	0.8
298.12137	16.1
299.12640	0.7
313.14493	8.9
314.14764	0.6
324.10135	0.6
325.10583	0.4
339.12399	5.2
342.11121	1.6
343.11826	0.6
357.13455	100.0
358.13821	5.2
399.14511	3.0
519.18738	6.9
520.18896	0.5
529.30487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.188
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.43180	0.5
57.03444	0.9
59.01389	8.0
61.98838	4.8
69.07657	3.5
71.01383	8.5
73.02946	2.6
75.00877	0.5
83.01385	1.1
84.02176	0.6
85.02965	3.2
86.56530	0.4
87.00885	1.1
88.17704	0.4
89.02458	4.7
93.03464	1.4
95.01385	0.7
99.00882	1.5
101.02454	6.6
102.05625	0.5
108.02190	1.0
109.03014	0.7
113.02469	3.5
119.03516	0.7
121.02954	5.3
122.03738	4.1
123.06702	0.4
125.02473	0.7
128.03534	0.9
131.03520	1.0
133.02969	1.3
134.03796	1.0
135.04533	1.6
136.01674	77.5
137.02490	2.2
147.04544	0.8
149.04562	1.2
149.05989	0.8
151.04022	100.0
152.04352	2.0
158.03815	0.6
159.04510	1.1
160.05298	1.0
161.02477	1.0
161.04587	1.9
161.06001	0.7
162.03261	1.5
163.04030	1.2
173.04384	0.5
175.07706	1.3
177.02002	0.8
177.05492	0.8
179.03487	1.0
179.10712	0.7
181.12416	0.5
189.05661	0.8
191.05620	4.2
193.05174	0.8
225.11250	0.7
262.61948	0.5
267.15988	0.8
311.12848	0.5
315.10934	1.1
342.11072	5.3
357.13464	84.4
358.13849	4.7
373.22269	0.7
386.37610	0.5
387.19232	2.3
387.24527	3.7
389.25513	0.7
518.30011	0.8
519.24158	5.0
519.30542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1878
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.74023	0.3
57.85189	0.3
59.01388	4.6
59.27217	0.3
69.69540	1.0
71.01392	5.8
72.95575	0.3
73.02940	1.8
78.34782	0.3
83.01395	0.8
85.02964	2.8
87.00883	0.7
88.98811	3.2
89.02456	3.6
92.93317	0.3
93.03463	1.1
95.01456	0.4
95.05054	0.3
99.00890	0.9
101.02460	3.7
108.02185	1.5
108.53272	0.3
109.02975	1.1
113.02457	2.2
119.03516	0.7
121.02959	5.2
122.03052	0.3
122.03777	3.6
124.01662	0.4
124.52560	0.3
125.02470	0.4
131.03516	1.1
133.02983	1.2
134.03781	0.8
135.04538	2.1
136.01678	70.3
137.02501	2.4
143.03523	0.3
145.02971	0.3
147.04558	1.6
148.66650	0.3
148.89302	0.3
149.03551	0.3
149.04623	1.3
151.04027	100.0
152.04391	2.0
157.82286	0.3
159.03262	0.3
159.04510	1.5
160.05348	1.3
161.02435	0.7
161.04573	1.9
161.05721	0.2
162.03210	1.4
163.04047	1.2
164.04808	0.3
175.04044	0.7
175.07664	1.4
176.04817	0.3
177.01912	0.5
177.05594	1.3
179.03578	1.4
187.04054	0.4
189.05559	0.4
191.05586	2.2
193.04930	0.3
195.06622	0.4
219.62929	0.3
225.11342	0.5
229.01421	1.1
241.05125	0.4
242.66934	0.3
249.05624	0.4
265.05197	0.5
267.06656	0.7
269.08264	0.9
295.06192	0.7
310.07352	0.6
311.13049	0.7
313.07275	0.6
327.08871	0.4
339.05185	1.8
342.11185	5.0
351.07217	0.4
356.27805	0.3
357.13474	87.0
358.13791	4.8
399.07077	0.4
429.14478	0.3
483.24875	0.3
501.23691	1.4
501.30807	0.3
519.25262	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2026
Annotation	Benzoylgomisin O
Peak:m/z	Relative Intensity
56.91647	1.8
61.98818	4.6
69.44355	8.4
78.95913	5.3
89.04007	2.2
98.21764	1.7
118.04263	11.6
134.03741	6.2
152.99600	14.8
157.56787	1.7
161.02414	3.6
162.03259	9.3
176.01163	2.5
189.01950	40.8
190.02739	54.9
191.03302	2.0
201.01958	44.7
205.01448	1.7
215.03613	2.1
222.01701	5.1
225.05556	3.5
227.07202	12.2
229.05080	7.6
243.06665	13.7
244.07411	46.6
245.08182	18.5
245.22511	2.0
259.09778	38.2
260.09998	2.1
504.17969	5.0
519.20282	100.0
520.20911	8.6
524.50800	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	519.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	51.0
61.98831	4.2
62.01837	0.7
63.80724	0.6
69.03462	0.7
69.50808	0.6
70.22720	1.3
71.01390	21.9
73.02948	12.6
78.59457	0.8
83.01401	0.8
85.02957	2.7
85.06604	13.2
89.02452	28.4
97.02950	1.7
99.00891	22.8
101.02451	10.4
113.02444	3.6
113.06107	3.8
115.04031	1.9
119.03523	2.4
125.02431	2.4
131.03539	3.5
149.04552	4.6
151.04022	0.8
161.04578	1.8
163.11320	3.1
163.13416	0.8
189.07742	3.5
191.05623	6.9
194.82266	0.8
195.05110	1.1
195.87108	0.7
207.10353	4.0
320.16061	0.8
387.16437	1.2
396.21213	0.9
458.66772	0.8
479.74533	0.9
519.20862	100.0
520.21252	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74928	1.2
53.46609	1.3
55.01883	3.1
57.03471	2.0
59.01384	98.1
60.01728	1.4
70.90007	2.0
71.01389	58.9
71.46965	1.3
72.99332	1.5
73.02946	18.1
83.01404	5.7
85.02955	12.2
85.27422	1.4
86.87392	1.4
87.00894	4.7
89.02455	64.8
97.02946	2.3
99.00895	22.2
101.02454	34.6
108.30374	1.3
111.00905	2.7
113.02472	10.1
119.03531	5.8
121.02978	1.5
125.02451	2.4
127.05153	5.2
130.85634	1.3
131.03511	21.0
134.03940	1.5
135.04539	3.3
137.02353	1.4
143.03490	2.9
145.05165	1.4
145.06169	7.0
149.02542	2.5
149.04570	31.5
150.03229	4.2
152.08423	3.0
161.04570	3.1
163.11322	1.7
163.83310	1.4
165.05621	2.5
184.62279	1.4
184.85068	1.3
191.05614	13.5
192.66435	1.4
207.10292	3.8
233.06639	2.2
293.17828	1.6
311.09198	1.9
321.29935	1.3
322.07983	1.6
322.11676	2.2
369.19388	1.9
387.20459	17.0
411.69009	1.5
431.72562	1.3
471.18176	2.5
501.19196	1.7
519.21027	100.0
520.21460	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01080	1.6
59.01382	29.6
61.98825	2.6
69.37647	1.7
69.38044	3.2
70.71210	0.9
71.01390	7.1
71.05025	1.1
73.02942	2.9
82.95428	4.4
83.01395	1.2
85.02935	2.4
89.02427	5.6
98.22623	1.9
101.02452	4.7
113.02457	3.7
118.06636	1.4
119.03492	2.2
121.10232	10.2
123.04586	1.0
133.02936	1.1
134.06131	2.4
135.04541	1.2
136.01689	5.0
136.07660	1.6
139.11305	5.7
143.03487	0.9
145.85487	1.0
149.04617	1.0
149.05983	1.0
151.04053	6.7
159.04369	1.0
161.04591	1.6
165.09180	2.8
177.01891	2.3
178.05121	2.1
179.03505	1.6
179.05521	2.3
180.06630	3.1
181.12285	3.5
183.10269	100.0
184.10681	2.0
193.05122	1.8
199.13358	1.4
225.11293	2.0
227.03587	1.0
241.04993	1.0
243.03030	1.3
243.12389	29.5
255.03023	6.8
256.03580	2.4
257.04465	2.4
269.04108	1.0
271.99512	0.8
285.03970	2.0
313.27689	0.9
340.10229	2.9
357.13559	4.8
407.07727	18.3
408.07803	1.7
409.08188	1.9
413.10892	0.9
449.08905	1.8
519.25562	0.9
519.31866	14.7
520.31976	1.3
535.70068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	17.3
58.82901	2.4
59.01383	44.9
61.78371	2.4
61.98831	6.1
63.84349	2.3
69.03453	11.7
69.28790	11.9
71.01381	17.5
71.05035	3.9
73.02943	5.0
75.35041	2.6
89.02465	21.2
99.04533	6.5
101.02446	12.2
113.02459	6.2
113.82674	3.1
119.03508	7.2
134.03738	3.4
136.01669	17.3
139.11267	18.2
143.03589	4.1
149.04501	3.6
151.04010	19.7
161.02637	2.8
161.04550	13.6
177.01826	5.4
179.03540	2.6
179.05594	9.7
183.10298	100.0
218.90666	2.8
225.11317	7.5
357.13574	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	519.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50380	0.7
55.01874	1.9
55.92482	0.8
56.36970	0.8
57.03442	2.2
58.00580	1.5
59.01386	100.0
61.98833	2.8
65.30637	0.7
69.03451	1.9
69.17351	0.8
69.55222	3.4
71.01389	60.4
72.99323	1.5
73.02956	17.2
73.03362	0.9
75.00872	1.6
79.70715	0.7
81.03478	0.9
83.01388	4.2
85.02964	15.1
85.84145	0.7
87.00887	4.4
89.02454	69.1
93.03467	1.8
95.01392	1.9
97.02969	2.2
99.00895	12.3
101.02451	42.6
103.86097	0.8
109.02995	1.3
111.00907	2.3
113.02470	16.8
116.96713	0.8
119.03514	9.0
121.03014	0.7
125.02465	4.6
131.03514	18.2
133.02991	1.8
133.05098	1.0
134.03763	1.1
135.04544	8.5
136.01659	1.4
136.05310	1.3
137.02484	1.0
143.03522	3.4
145.06187	0.9
148.04057	1.0
149.04568	44.3
150.03316	0.9
151.04012	3.3
152.08469	3.5
161.04579	8.6
166.06410	1.9
173.04489	1.5
175.02464	0.8
177.01933	1.9
179.03529	2.3
179.05609	2.3
181.08717	2.5
189.12866	5.0
190.05127	2.1
191.05637	25.4
207.13963	1.5
208.07468	1.6
209.07710	0.8
211.09827	1.5
221.06726	1.0
223.09842	2.2
225.15021	1.8
233.06705	3.4
251.07768	2.2
293.08841	3.0
310.07211	2.7
325.12949	0.8
339.05411	0.9
351.07242	1.7
357.13464	1.9
369.19083	1.0
387.20267	45.1
388.20602	2.2
475.21588	0.9
484.14386	1.3
485.11008	1.1
519.24585	60.8
520.24872	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.6
56.11171	0.5
57.03209	0.5
57.03453	4.0
58.00594	1.1
59.01387	62.3
60.01712	0.6
60.89349	0.5
69.03462	3.7
71.01392	63.2
71.05026	1.5
71.49049	0.5
72.99306	1.6
73.02953	21.1
74.07777	0.5
75.00877	2.7
78.90706	0.5
79.01900	0.6
81.03464	2.1
83.01398	5.4
85.02462	1.1
85.02961	20.2
87.00889	6.0
89.02457	55.5
90.02770	0.7
93.03478	0.6
95.01408	3.2
95.04422	0.5
95.05040	1.5
97.02962	6.9
99.00893	16.5
99.04518	1.2
101.02454	37.6
102.02805	1.0
102.59306	0.6
103.04002	0.7
109.02954	6.8
109.06583	1.6
111.00895	1.8
111.04498	0.7
111.08161	0.8
113.02466	21.2
113.06095	0.6
115.04028	4.1
116.69286	0.5
119.03522	4.8
119.04950	1.1
121.02977	1.7
122.99436	0.6
123.04523	1.1
123.08181	0.7
123.73003	0.7
125.02461	14.2
127.04070	0.8
127.05161	0.8
128.03545	0.7
129.01927	0.8
129.03523	1.2
130.08788	0.7
131.03528	9.9
132.31480	0.6
133.02969	0.9
135.04546	1.9
137.02501	0.7
137.06113	0.8
137.09729	1.4
138.06888	14.7
143.03500	3.9
145.02980	1.3
146.03728	1.5
147.04526	11.1
149.00954	5.5
149.04578	16.0
151.04022	2.6
152.08432	0.5
153.09235	40.8
154.09540	1.1
157.02921	1.0
159.03008	1.7
159.04524	4.8
161.04584	15.4
163.11278	1.6
165.09283	0.6
173.04588	1.0
175.03999	0.9
179.03441	1.0
179.05609	2.4
179.10817	0.9
181.12364	3.7
185.02440	1.0
189.12949	0.7
191.05641	7.4
195.13948	1.1
203.03363	0.7
207.13966	4.1
221.06189	1.3
223.13316	2.7
225.11436	23.6
225.14961	44.4
226.11670	1.1
226.15361	1.3
229.01448	7.5
233.06685	13.7
237.05464	0.9
239.07091	0.7
249.05621	1.5
251.07687	0.9
265.05035	2.7
266.05756	1.2
267.06653	5.0
267.09207	0.6
267.09680	0.6
267.12402	4.9
269.08203	8.4
275.08047	0.6
277.05078	1.6
281.04068	0.7
293.05203	1.0
293.08817	12.8
294.05292	1.2
295.06247	4.6
309.04025	1.5
313.07294	3.6
339.05130	16.5
340.05447	1.1
363.97739	0.7
369.15292	0.6
371.54050	0.5
387.15494	3.9
387.20529	17.1
388.20508	0.7
418.69431	0.6
519.24469	100.0
520.24945	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	519.2449
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01887	2.5
57.03445	3.0
58.00600	1.3
59.01382	100.0
61.98841	1.0
69.03472	1.3
69.62611	2.7
71.01386	63.0
72.99320	2.4
73.02950	16.1
81.03493	0.8
83.01390	5.7
84.04559	1.3
85.02958	14.3
85.98244	0.6
86.00126	1.3
87.00888	6.1
89.02450	73.0
90.02797	0.8
95.01418	2.0
97.02993	3.0
99.00884	5.7
100.09408	0.7
101.02448	44.4
109.04104	0.8
109.81811	0.7
111.00906	3.2
113.02459	14.1
115.04019	1.3
119.03513	6.0
125.02491	3.8
127.04177	0.7
127.05210	2.3
129.02051	0.8
131.03516	29.5
134.03751	0.7
135.04564	1.6
143.03604	2.6
145.06177	3.3
149.02672	2.3
149.04564	39.9
150.03323	1.8
151.04047	1.4
152.08429	4.7
153.09219	1.0
161.04660	2.9
163.11412	0.9
165.05525	1.5
173.04617	0.7
191.05630	13.3
225.15196	2.0
233.06693	4.5
251.07855	0.7
266.06067	0.8
293.09042	2.1
369.19571	1.5
387.20273	26.4
388.21082	1.2
462.17120	0.8
501.19370	1.4
516.95758	0.9
519.25214	78.2
520.25616	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	519.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42035	0.6
55.01883	2.5
57.03454	5.9
58.00592	1.4
59.01384	95.9
61.98838	3.5
69.03455	3.6
69.58365	1.2
69.58745	2.3
71.01387	83.3
71.05025	2.1
72.99306	2.4
73.02953	19.1
74.20662	0.5
75.00874	1.7
81.03464	3.4
83.01389	9.0
84.02164	0.7
85.02956	19.2
87.00890	6.0
87.04534	0.8
88.98875	0.7
89.02452	71.3
90.02783	0.8
93.03470	2.2
95.01395	3.2
95.05038	1.2
97.02957	9.2
98.22668	0.8
99.00893	7.7
99.04553	0.9
101.02451	44.0
103.04018	2.2
109.02933	1.5
109.06607	1.5
111.00904	5.6
111.04535	1.3
111.27905	0.6
113.02460	19.4
115.04003	2.5
119.03526	5.7
121.02981	1.8
123.08170	1.9
125.02462	17.4
125.03226	0.4
127.03967	1.2
131.03519	25.7
135.08154	1.1
137.02502	1.0
137.06090	0.8
137.09758	1.4
138.06882	21.1
139.04056	0.9
143.03503	3.8
145.03030	0.6
145.05104	0.6
147.04576	2.5
148.04082	1.3
149.00938	1.4
149.04564	24.4
149.09746	1.1
150.06865	0.6
151.04025	10.8
153.09229	51.7
154.09599	0.9
155.10837	0.9
159.02979	2.1
161.04568	11.5
163.06129	2.7
163.11288	1.0
165.12933	0.9
173.04520	0.8
179.05481	1.2
179.10815	1.1
191.05644	8.3
203.05603	0.8
207.13953	5.3
215.05580	0.8
225.11349	4.7
225.14984	48.9
226.15353	2.3
233.06668	11.1
267.06842	0.8
267.12268	0.7
269.08279	1.3
291.86337	0.7
293.08832	10.2
295.06137	1.0
307.10333	1.3
313.07156	1.3
339.05215	2.4
369.18918	1.2
387.20358	15.6
519.24500	100.0
520.24884	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	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.7
57.03452	4.5
59.01384	100.0
69.03461	1.2
70.23103	1.2
71.01387	64.0
71.05051	1.4
72.99313	2.1
73.02952	18.4
75.00876	22.3
81.03458	1.7
82.78384	1.2
83.01395	10.5
85.02957	58.2
87.00887	11.7
87.04548	2.1
87.79582	1.3
89.02450	27.0
95.01402	5.5
97.02960	4.3
98.22803	2.0
99.00877	6.5
101.02453	53.5
113.02466	29.8
115.04022	3.5
119.03497	9.0
124.01678	9.4
125.02483	9.2
131.03552	1.8
143.03488	15.5
149.04567	1.6
159.02977	3.4
161.04578	31.6
179.05595	11.2
221.06686	2.3
235.08122	2.0
259.24530	1.2
263.07785	2.6
459.22696	3.1
477.23447	24.9
486.73813	1.4
519.25037	1.7
519.31775	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	519.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.03454	1.7
58.00598	1.0
59.01386	53.0
61.98825	1.4
69.03460	2.0
69.46427	2.0
69.46807	1.5
71.01389	46.9
73.02956	9.9
81.03446	0.9
83.01395	6.6
83.31764	0.6
85.02961	15.4
87.00877	3.1
87.04533	1.0
89.02453	33.3
95.01394	2.0
97.02967	2.8
99.00875	4.1
101.02456	29.4
111.00893	5.4
113.02467	14.0
115.04047	0.9
119.03509	3.8
125.02434	4.5
127.03949	0.7
129.01981	1.2
131.03535	13.2
135.04555	1.3
136.01689	3.4
143.03548	2.0
149.04578	10.9
151.04034	4.0
153.09296	0.8
159.03049	1.3
161.04559	2.5
177.01949	0.6
179.03531	0.7
191.05632	4.9
194.45421	0.7
195.13954	0.7
207.13988	1.4
215.05794	0.9
215.91669	0.7
225.14992	3.9
233.06631	2.7
240.24721	0.7
293.08951	1.5
357.13528	3.9
369.19028	2.3
387.20169	22.2
388.20367	1.0
519.24579	100.0
520.24957	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	519.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03452	1.7
59.01089	0.9
59.01389	16.9
61.98836	5.8
65.93803	0.7
71.01382	7.2
73.02943	3.1
78.71761	0.7
83.01380	1.1
85.02953	2.0
87.00883	5.4
89.02457	3.4
90.00026	0.8
90.89397	0.7
97.06594	2.6
101.02451	5.6
108.02175	0.8
109.02919	1.5
109.98946	0.7
111.00882	0.7
112.98804	1.0
113.02432	2.1
116.92893	0.7
119.03470	1.0
121.02986	1.1
123.08173	1.9
123.59698	0.7
127.07652	1.0
128.03513	1.5
131.03542	0.9
132.04526	1.4
136.01660	9.1
137.02458	1.3
139.07642	0.7
139.11305	2.3
149.04619	0.8
151.04019	9.9
152.04343	0.9
155.10751	0.8
157.12369	1.3
161.04552	1.7
179.03479	0.9
181.12367	0.7
185.11868	13.0
191.05605	1.2
194.17137	0.7
214.12146	1.4
215.12897	1.5
225.11259	1.0
227.03476	0.7
255.02885	0.9
285.04047	1.6
289.18182	0.9
291.19696	5.0
309.20453	3.3
325.23874	10.2
327.21780	56.2
328.22116	3.1
330.23679	1.5
357.13455	9.1
357.26303	1.1
369.22952	1.1
387.23901	100.0
388.24246	5.4
519.13776	1.1
519.24176	4.5
519.31427	10.0
520.31604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28997	33.8
61.98815	100.0
62.72795	38.3
70.62040	45.5
70.95192	81.1
78.95911	58.7
81.90672	39.6
108.06106	42.0
108.08256	42.8
114.18631	45.3
120.57590	37.2
149.33438	44.9
155.41272	39.3
202.40994	40.6
207.56116	44.0
254.34419	44.3
375.24738	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.7
69.21501	100.0
70.24351	14.7
71.75410	13.7
78.91879	26.9
78.95908	64.8
90.78201	17.1
95.91019	15.1
98.51072	14.4
151.54897	14.6
152.99620	88.0
255.23312	39.4
266.35648	16.0
277.21686	28.4
279.48459	13.7
303.31796	17.6
355.50253	15.8
433.23465	22.2
452.27637	19.3
521.98981	15.2
537.22852	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53301	0.8
52.17098	0.6
55.01882	6.6
57.03454	10.6
58.00580	0.7
59.01384	59.1
60.91060	0.7
61.98829	3.0
69.03463	1.4
71.01387	100.0
71.05040	0.6
72.99314	2.3
73.02950	36.2
75.00885	2.1
81.03473	1.1
83.01398	17.2
83.41064	0.7
85.02957	52.6
85.06593	1.8
86.07606	0.7
87.00887	3.2
87.01391	0.7
89.02453	15.9
95.01386	8.3
97.02976	2.6
97.06582	1.0
99.00892	14.4
99.08163	3.8
101.02451	70.9
102.02762	1.0
111.00894	2.1
113.02462	42.4
113.09741	1.0
115.20266	0.6
119.03514	5.0
125.02464	2.7
125.09730	0.9
129.01947	2.2
130.56596	0.8
131.03554	1.0
132.04549	1.0
141.01974	1.5
143.03549	4.2
143.10779	6.6
159.03026	10.0
159.04333	1.4
161.04573	40.7
162.04947	0.8
168.72375	0.9
169.16032	1.3
179.05611	1.4
195.17609	1.8
211.16968	3.5
266.05914	0.8
267.06506	1.9
281.08148	1.9
281.24792	0.8
297.24341	1.8
297.27658	0.9
313.27481	12.4
339.25565	2.0
341.27069	6.7
357.22382	1.4
357.26465	13.0
459.18488	1.2
474.16925	1.0
475.32831	46.7
476.33185	2.8
482.52307	0.7
489.19205	8.8
490.19843	0.8
493.18997	0.8
519.31805	78.8
520.32007	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	520.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	6.9
61.98838	100.0
62.83843	0.8
71.01399	4.3
73.02960	1.2
73.48103	0.6
85.02959	1.2
89.02467	1.8
99.04564	1.0
101.02477	3.0
108.54586	0.6
113.02474	1.0
132.04559	0.9
134.03885	0.9
135.04591	1.3
161.02557	1.0
162.83939	9.2
179.03493	1.0
255.03152	1.1
285.04202	2.3
286.04480	1.1
336.75043	0.9
439.59970	0.9
461.23785	1.2
519.31946	8.0
520.32166	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	520.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48374	0.8
57.03456	2.2
57.08437	1.0
59.01387	6.8
61.98838	100.0
62.08831	0.9
71.01387	3.6
71.43058	0.9
72.86469	0.9
73.02962	1.9
83.01402	1.0
85.02966	2.0
87.00857	0.8
89.02470	1.5
101.02462	2.8
109.97169	0.8
132.02103	0.9
132.04601	1.8
133.02986	1.0
134.03770	1.0
147.32455	0.8
161.04504	1.1
206.04576	3.8
211.56520	0.8
223.13408	2.9
224.13762	1.7
225.11374	1.4
248.02882	0.9
283.90933	0.9
285.04163	1.1
375.20135	2.7
376.20358	1.4
376.57895	1.1
417.21472	1.5
519.31201	2.7
520.32074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.7
61.98821	2.1
69.20894	1.5
69.21309	1.7
71.01385	8.7
72.01734	0.7
73.02943	1.8
76.60004	0.6
77.26237	0.5
78.91855	1.2
79.40408	0.6
83.01385	0.7
85.02936	2.1
87.00861	1.2
89.02453	7.2
93.03445	1.2
97.02937	0.7
99.00875	1.4
101.02438	3.7
106.83270	0.6
108.02184	0.6
113.02444	1.5
115.04013	0.8
122.03751	0.6
125.02457	1.8
126.41076	0.6
130.02954	1.0
131.03769	10.0
133.02917	1.4
134.03738	1.0
135.04526	6.7
136.01665	18.6
136.05321	0.8
137.01968	5.3
148.04033	1.9
149.04581	1.6
151.04019	24.2
151.05257	1.2
152.04372	8.5
158.02454	2.6
159.80603	0.6
160.01660	0.9
160.05185	0.8
161.04567	0.8
173.04596	1.5
174.02022	0.7
175.02782	4.8
179.03496	2.3
188.69737	0.6
189.04330	2.6
190.05101	100.0
191.05566	13.2
191.07297	0.8
233.06686	1.4
293.08887	0.8
308.08978	1.3
310.07266	2.0
342.10913	0.7
343.11218	1.1
348.54123	0.6
351.07141	2.2
352.07971	1.7
357.13394	8.8
358.13791	18.5
453.74200	0.6
484.14627	61.8
485.15067	4.3
507.03122	0.7
520.14648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77947	1.2
58.91941	1.4
59.01381	7.6
61.98838	4.5
62.77026	1.3
67.01913	1.9
67.27669	1.2
71.01388	7.8
77.19273	1.1
85.02954	7.1
85.06593	1.5
87.00894	6.9
88.60651	1.2
89.02473	3.6
93.03455	20.6
98.21835	3.9
101.02486	2.0
105.03474	4.2
107.05010	2.2
108.02191	3.5
109.02989	3.5
110.95143	1.3
111.04517	3.4
113.02436	1.7
121.02995	3.2
124.01675	3.8
125.02377	2.1
127.03954	2.1
132.02151	2.0
133.02966	38.1
134.03752	8.4
135.04539	100.0
136.01672	5.2
136.05374	8.4
137.02464	2.6
149.04504	2.1
150.03220	4.8
150.05670	2.9
151.04024	15.6
152.04355	3.3
155.03528	2.7
160.01701	5.5
161.02463	4.2
162.03271	2.6
173.04539	19.6
177.01944	17.5
178.02644	2.5
179.03534	24.4
191.05620	87.7
192.06036	2.7
215.05635	9.1
252.04301	2.4
259.99390	1.6
263.81448	1.4
267.06683	2.7
293.04581	3.8
307.08228	5.4
308.08997	14.7
310.07208	19.6
328.08328	6.8
331.43253	1.5
351.07263	46.7
351.11661	2.6
352.07819	15.4
353.08759	4.7
357.13547	2.2
357.67780	1.4
358.13785	4.5
485.11096	5.6
502.13391	8.1
520.14435	5.0
520.21631	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	520.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79644	0.5
59.01380	2.2
61.98829	1.5
71.01387	1.9
71.41487	0.8
83.43044	0.5
85.02953	9.5
87.00889	1.8
89.02437	0.6
92.32561	0.5
93.03473	5.8
108.02173	0.9
109.02952	1.3
111.04530	1.7
121.02970	0.6
127.04051	2.2
130.14630	0.6
132.02155	1.0
133.02971	3.5
134.03745	1.1
135.04530	9.6
136.01677	0.8
136.05283	1.1
137.02448	1.6
140.91765	0.5
150.05568	0.9
151.04033	1.7
159.51224	0.5
160.01669	2.1
161.02452	1.0
168.02910	0.6
171.02974	0.7
173.04593	2.8
177.02017	1.0
179.03517	1.7
191.05627	100.0
192.05971	2.5
192.28354	0.6
197.04515	0.8
211.07666	0.8
224.04832	2.4
226.06348	1.8
230.04565	0.6
237.05544	1.8
239.07182	2.5
241.05074	0.7
241.08803	1.3
252.04347	2.4
258.07715	1.2
265.05151	1.9
267.06677	3.1
268.06635	0.6
282.07901	1.2
284.05667	1.7
284.09311	0.9
293.04568	5.1
308.09012	1.1
310.07220	27.8
311.07544	1.6
320.82129	0.7
328.08264	6.5
338.91040	0.5
351.07233	1.5
352.08188	0.9
358.13806	0.9
464.43903	0.6
502.13647	2.6
520.15009	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	520.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
61.98838	8.9
69.03514	1.0
71.01385	3.3
71.41756	1.1
82.72958	0.9
85.02959	8.8
87.00877	2.0
93.03473	7.4
98.11937	1.1
109.02968	2.4
111.04559	1.8
121.02960	3.9
127.04015	2.3
132.02150	2.1
133.02997	7.2
134.03761	2.0
135.04550	17.9
137.02486	1.7
150.05592	1.5
151.04013	3.0
160.01682	7.0
161.02405	1.4
173.04587	6.5
177.01929	2.9
179.03548	4.6
191.05629	100.0
192.05942	2.8
226.06355	2.5
237.05533	1.6
239.07100	3.0
241.08818	6.1
250.05000	1.1
252.04323	1.4
265.05170	2.2
267.06683	5.4
284.06143	1.4
284.09222	2.4
293.04657	3.3
308.08905	2.5
310.07236	20.3
311.05426	2.3
328.08261	15.2
329.14008	1.5
348.11050	1.1
351.07190	3.8
352.07965	2.0
358.13754	1.2
395.80359	1.1
457.15393	2.9
485.11002	2.0
502.13480	6.6
520.14667	1.8
522.69171	1.1
525.76215	1.0
542.18811	1.1
548.44775	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	520.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12693	0.7
57.03423	0.8
59.01393	5.0
61.98825	0.9
67.01899	1.6
67.27546	0.7
69.03467	0.8
69.22733	3.5
69.23132	1.4
71.01387	2.5
81.03489	0.8
85.02959	9.2
86.03326	0.6
87.00877	3.2
89.02468	1.0
90.18158	0.7
93.03480	9.7
100.74017	0.7
101.02425	1.1
105.03471	1.0
107.05040	0.9
108.02212	1.7
109.02953	2.2
111.04552	2.1
121.02978	1.9
124.01713	1.7
125.02414	0.9
127.04008	2.3
132.02185	2.7
133.02977	11.4
134.03752	2.5
135.04539	28.5
136.01671	3.1
136.05244	2.8
137.02461	1.2
145.03030	0.8
150.03218	1.7
150.05585	2.1
151.04048	6.0
152.04393	1.8
159.04572	0.9
160.01657	6.3
161.02458	2.7
171.03111	0.9
173.04587	10.4
174.03355	0.8
175.51912	0.8
177.01944	2.6
178.02765	1.6
179.03539	8.1
180.04340	1.2
191.05629	100.0
192.06012	1.4
195.05078	1.3
215.05646	2.6
223.07568	1.0
225.05553	1.4
226.06410	1.4
237.05573	0.9
241.04968	0.9
249.05632	1.3
252.04330	1.4
265.05072	1.3
266.08209	1.4
267.06668	4.0
284.05618	1.2
284.09280	1.2
293.04617	5.8
307.08264	1.1
308.09036	4.1
310.07220	37.1
311.07877	1.3
328.08261	8.5
351.07272	8.3
352.07828	2.9
353.08701	2.5
358.13824	3.3
485.10645	1.6
502.13358	3.4
509.96359	0.7
520.14233	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	520.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66409	1.3
59.01381	29.6
60.01726	2.5
61.98821	3.5
68.42294	1.2
69.03448	1.4
71.01392	20.0
71.41799	1.5
72.01723	1.7
73.02957	5.3
83.01408	2.2
85.02962	12.4
87.00894	4.8
89.02457	18.8
90.02755	1.7
93.03457	12.5
96.00897	1.3
96.88416	1.2
99.00883	3.8
101.02452	11.1
102.02800	2.2
105.03475	2.6
108.02186	4.5
109.01717	3.8
109.02941	3.2
110.37757	1.5
111.04508	2.8
113.02463	5.6
121.02979	2.0
122.03728	1.5
124.01669	4.3
125.02427	2.8
126.03271	1.3
126.06725	1.4
127.04017	2.6
127.05106	1.4
131.03667	6.3
133.02975	15.3
134.03748	5.2
135.04536	93.7
136.01709	2.1
136.05324	8.1
137.02428	2.1
143.03485	1.6
149.04587	8.6
150.03264	2.4
150.04810	2.5
151.04051	12.0
152.04366	2.7
156.31679	1.2
160.01656	3.9
161.02477	3.4
161.04578	2.5
162.03227	1.4
173.04546	11.6
175.02599	1.7
177.01915	5.5
178.02740	1.6
179.03500	27.2
180.04060	1.7
190.03421	2.6
190.05127	42.3
191.03717	3.7
191.05618	100.0
192.05980	4.0
215.05635	2.6
224.04785	1.5
237.05707	1.7
257.16196	3.0
265.05042	2.8
267.06650	1.7
274.24756	1.4
293.04520	4.0
307.08194	4.1
308.09021	16.8
310.07217	28.5
328.08295	5.6
351.07245	14.3
352.08051	14.2
353.08844	6.4
358.13638	2.7
387.20175	5.1
388.20572	13.6
484.14688	23.0
485.10538	8.1
498.12680	1.4
502.13727	9.3
520.14484	10.2
520.24860	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	520.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85067	1.3
59.01384	6.2
60.99296	1.6
61.98831	2.4
67.01895	1.5
69.31227	7.3
71.01385	5.6
73.02960	1.9
85.02948	10.6
87.00899	2.9
89.02482	3.0
89.99435	1.3
93.03452	13.5
101.02461	1.1
105.03479	2.8
107.05046	1.6
108.02180	3.2
109.02934	2.8
111.04562	1.6
121.03002	2.7
122.03762	1.4
123.04620	1.1
124.01701	4.6
124.07687	2.2
125.02483	2.7
127.04031	1.9
132.02179	2.0
133.02962	21.4
134.03757	5.5
135.04538	77.2
136.01668	20.8
136.05318	11.0
137.02046	5.4
150.03239	2.8
150.05659	2.0
151.04015	29.7
152.04417	11.0
152.07178	20.5
152.65910	1.2
155.03613	1.6
160.01683	6.8
160.56786	1.2
161.02440	4.6
162.03300	1.3
173.04576	9.7
177.01913	7.2
179.03519	16.9
180.04182	2.4
191.05621	100.0
192.06010	2.4
215.05606	3.5
224.04971	1.3
244.83524	1.2
252.04295	1.9
265.04956	1.3
266.08292	1.5
267.06650	2.3
293.04520	4.9
307.08286	3.9
308.08972	8.6
310.07217	32.3
320.74545	1.4
328.08163	6.6
351.07236	23.6
352.07971	16.9
353.08536	7.9
357.13480	7.8
358.13824	22.6
359.14490	1.8
485.11142	4.2
500.26404	1.4
502.13675	8.7
520.14398	12.7
520.22241	1.2
520.25031	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	520.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.3
57.03459	0.2
59.01381	2.0
61.98835	100.0
70.85419	0.4
70.85767	0.3
71.01398	1.0
73.02971	0.6
74.02477	1.1
85.02985	0.4
87.00910	0.4
89.02449	0.6
101.02475	1.1
113.02450	0.4
133.02991	0.5
137.02412	0.5
139.62616	0.3
149.00926	0.3
151.03984	0.5
177.01950	2.4
191.05705	0.7
201.22522	0.3
225.55527	0.3
265.18198	0.4
283.19229	0.4
358.22586	0.5
388.23492	3.5
503.32477	0.4
504.16891	0.3
521.33118	1.3
541.88776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16881	0.5
57.03440	0.7
59.01384	19.8
61.98837	100.0
69.62202	0.7
69.62537	3.0
71.01386	5.2
72.84027	0.6
73.02567	1.1
73.02952	8.1
75.00889	0.7
83.01402	1.3
85.02992	0.9
89.02469	2.2
101.02457	6.9
108.54842	0.7
113.02448	3.2
113.47852	0.6
119.03533	1.1
123.08207	0.8
131.03606	1.1
140.15474	0.7
149.04643	0.9
155.10875	2.3
160.84259	2.3
161.04652	1.6
161.45338	0.7
179.03418	0.9
199.09805	2.5
241.10788	1.0
301.13049	0.8
327.91763	0.7
341.23520	1.1
366.18954	0.9
513.80646	0.7
520.32953	1.5
521.29633	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66220	1.2
56.64454	1.4
58.02988	1.8
59.01392	11.4
61.17342	1.3
61.98826	6.7
71.01388	6.1
71.08208	2.2
73.02952	1.9
78.95888	1.7
85.02966	5.5
88.16208	1.2
89.02466	3.3
89.27525	1.5
95.05027	1.3
101.02457	7.7
113.02467	3.8
128.10828	6.9
130.08755	100.0
133.63747	1.4
134.03758	2.2
153.12849	1.7
161.04485	2.1
225.11482	1.7
225.96811	1.3
227.41385	1.5
317.19568	2.4
322.20255	88.0
323.20602	4.4
428.67969	1.6
479.25220	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	520.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
57.87196	0.8
59.01385	10.8
60.99286	0.9
61.98596	0.7
61.98833	7.3
70.07069	2.0
71.01395	5.3
71.05032	0.7
74.02480	32.2
83.01415	0.7
85.02947	2.1
86.02486	1.5
87.00890	4.3
87.01325	0.7
89.02440	5.3
93.03442	0.8
98.22570	1.4
99.00932	0.8
101.02441	2.7
104.03548	9.5
112.98813	1.6
113.02455	2.1
119.03534	1.5
119.71201	0.8
121.02934	1.3
127.11326	1.5
130.99936	0.7
135.04526	2.3
136.01678	2.1
137.02158	0.8
149.00906	1.4
151.04021	3.1
159.02158	0.7
161.02365	1.0
177.01997	1.4
179.03490	2.7
179.05798	0.9
181.12311	0.9
193.05188	1.0
210.99127	0.7
221.19119	15.8
239.20126	2.4
265.18106	12.2
277.18127	0.9
283.09872	1.0
283.19193	15.6
296.22217	4.1
301.20294	2.3
314.23398	2.4
326.23386	3.9
329.13690	1.1
340.09003	1.6
341.13980	1.7
345.32626	0.7
357.13400	1.1
358.13797	2.6
358.22382	19.7
359.22827	0.8
360.08337	0.8
370.22443	2.0
388.23450	100.0
389.23746	5.4
477.23395	3.0
520.24652	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	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
61.98831	1.3
62.63948	0.8
69.79066	0.8
71.40643	1.0
75.11436	0.8
78.95910	45.2
96.96970	5.6
108.77878	0.8
118.00301	0.9
150.98117	2.1
152.99611	100.0
171.00661	4.4
198.84279	0.8
202.17776	0.8
297.86526	1.0
405.09192	0.8
433.23581	20.3
434.24033	1.3
455.31528	1.7
520.26355	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	520.401
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36576	57.8
77.88493	57.9
80.23883	56.1
84.27041	55.8
87.49213	56.7
110.20149	57.8
128.39339	58.8
138.50108	53.0
200.80275	54.5
203.23727	63.0
277.21683	54.2
279.23282	100.0
334.58655	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.76530	0.5
57.03455	14.6
57.30585	0.5
58.00599	1.1
59.01372	2.1
61.98827	2.3
69.03468	4.2
70.59124	1.0
71.01389	2.1
83.01366	0.6
85.02957	6.6
87.04525	12.5
89.02421	0.8
101.02488	0.8
105.01931	0.9
113.02477	9.4
113.03349	0.7
113.03601	0.9
131.03523	100.0
132.03880	1.5
148.23384	0.5
164.60541	0.5
179.05708	1.0
201.16577	0.6
359.50256	0.6
485.77115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72241	0.6
59.01382	24.2
69.44643	3.2
71.01373	5.7
85.02957	2.0
89.02451	6.5
92.11125	0.7
93.03464	40.7
101.02459	1.9
113.02462	5.1
115.04110	0.7
119.03485	2.1
121.02976	0.9
135.04568	1.1
136.01657	2.9
137.02457	100.0
138.02831	2.2
141.00450	0.9
151.04047	2.2
161.04576	0.7
163.02217	0.8
179.03510	13.4
209.04559	1.7
239.05623	5.0
260.37738	0.7
283.01843	0.7
299.07748	57.9
300.08121	2.1
461.09787	0.9
467.22528	0.7
509.90894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
60.81935	0.6
61.98833	1.1
69.03461	86.4
69.29630	0.6
69.59769	2.9
70.03786	0.9
71.01399	2.4
85.02966	1.2
85.19810	0.6
89.02457	2.8
93.03497	1.0
96.96036	0.9
98.21922	1.3
101.02446	1.6
113.02460	100.0
114.02799	1.2
115.04019	1.8
117.05586	1.5
119.03518	1.5
137.02477	2.2
161.04539	0.7
167.16264	0.6
179.03510	1.2
179.05659	2.1
191.05650	0.7
197.04536	0.8
239.05701	1.5
296.83337	0.6
299.07849	0.9
334.29575	0.7
347.82773	0.7
349.00079	0.7
374.00214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
59.59388	0.3
61.98836	100.0
71.01396	1.3
72.60548	0.2
73.02969	0.5
77.95258	0.2
85.02988	0.3
87.26928	0.2
89.02483	0.9
93.03471	0.2
100.12563	0.2
101.02473	0.5
113.02502	0.3
115.04039	0.4
119.03581	0.3
121.02930	0.3
131.03517	0.3
132.04576	1.5
135.04517	0.4
143.03474	0.3
150.05669	0.3
164.80585	0.3
179.05588	0.3
191.05699	0.9
227.45992	0.2
229.13495	0.2
263.34335	0.2
266.20389	0.3
413.02417	0.3
429.32962	0.2
477.19186	0.4
522.83649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.6
60.26224	2.0
61.50962	2.0
61.98832	3.3
66.87233	2.0
69.26752	11.3
71.01382	2.2
73.02957	2.5
75.00880	34.8
98.22718	3.3
99.00932	3.3
105.01938	20.5
136.47929	2.1
143.03497	4.7
161.04585	6.9
179.05629	100.0
180.05948	2.3
219.40453	2.0
319.69315	2.0
402.32733	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35482	0.9
55.01880	1.8
56.16923	1.3
56.39531	1.1
59.01384	57.5
61.98840	1.8
68.99839	2.6
69.37672	5.7
71.01388	27.1
72.99313	1.2
73.02959	3.3
80.05066	8.0
83.01415	1.5
85.02945	7.2
85.06590	6.4
87.00886	3.7
89.02454	22.2
93.03486	1.5
94.08926	1.1
95.01397	2.1
99.00892	2.6
101.02448	18.2
104.05113	2.0
106.06642	3.4
109.02937	2.7
113.02473	10.6
113.06068	1.7
119.03505	6.8
121.02927	1.4
122.06126	4.5
125.02453	1.6
128.03545	2.1
131.03564	1.8
132.04564	54.1
134.06137	39.8
134.06908	1.0
135.04482	1.8
141.01964	1.4
144.04549	1.7
145.03023	1.6
146.03773	2.4
149.02498	2.1
149.04570	4.1
150.05629	49.3
152.07210	3.1
161.04601	1.8
162.03220	1.2
162.05617	1.3
176.07219	1.9
179.03441	1.4
181.08710	1.4
191.05623	5.9
236.09419	1.4
251.08290	5.7
251.11949	2.5
269.12924	5.9
279.11432	38.9
280.11731	1.4
291.10159	1.3
297.12494	26.1
298.12787	1.6
313.10965	1.9
314.12350	8.5
315.13205	1.9
329.14001	1.4
343.14679	3.7
344.12558	6.4
359.15033	18.6
449.19217	1.8
459.11633	2.3
459.17734	28.8
460.18210	1.5
477.18808	100.0
478.19196	5.3
491.19208	6.5
503.16702	3.5
521.25958	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	521.2031
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
59.01368	2.5
67.73736	0.6
71.01350	0.8
86.84188	0.6
95.95445	0.7
113.02526	0.9
118.04225	3.5
119.05018	1.9
134.03767	0.9
150.63484	0.6
151.04056	0.8
151.19588	0.6
162.03275	6.1
163.04013	2.5
163.93163	0.7
181.21877	0.7
189.01936	1.3
190.02733	30.9
190.86870	0.7
191.03067	0.9
199.07664	1.2
203.03568	4.0
208.45276	0.8
209.21797	0.6
222.01732	9.4
229.05136	1.3
230.05765	1.0
243.06627	28.3
244.07364	1.1
244.72063	0.7
255.13914	0.9
257.08218	5.6
258.08871	1.6
261.07642	1.9
269.04456	0.8
271.09802	0.8
273.01480	0.7
281.08316	1.1
285.11414	1.6
299.12927	0.8
300.13712	2.7
325.07028	1.6
327.12518	0.8
341.13971	1.1
343.08121	1.1
344.12488	1.9
345.13754	0.7
357.13126	1.2
359.15015	100.0
360.15289	4.0
401.16254	1.3
473.16269	0.7
521.20496	6.1
521.33087	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	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
58.00584	1.5
59.01383	100.0
60.01700	1.4
71.01387	54.5
72.99295	2.6
73.02937	1.5
83.01369	1.3
85.02951	9.8
87.00888	2.6
87.85284	1.1
89.02451	75.1
95.01404	3.3
98.21919	3.0
101.02454	32.2
105.00859	1.1
109.02981	1.9
113.02464	21.5
119.03517	29.1
121.02954	3.4
122.03773	2.3
123.04483	1.5
131.03491	3.8
134.03735	1.2
135.04524	3.5
143.03494	5.1
149.04578	4.8
159.04501	2.3
160.05324	5.6
161.04564	5.7
161.06007	2.1
172.05336	2.7
173.06039	3.0
175.07709	3.0
179.05600	12.6
189.05588	4.1
189.84174	1.1
190.06345	5.2
205.08693	5.5
227.12781	1.4
281.08313	1.8
285.30804	1.1
296.10577	4.4
311.12897	5.0
328.73260	1.2
329.13885	3.8
341.10022	1.8
341.13953	23.9
389.25763	1.4
391.16998	1.4
521.20197	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98545	0.5
51.30323	0.5
59.01377	2.2
60.48548	0.5
66.05744	0.4
69.34736	2.5
71.01395	2.7
73.02962	1.2
83.01409	1.1
85.02966	1.4
88.13725	0.5
89.02452	0.7
91.39624	0.5
97.14214	0.5
101.02429	1.4
105.55868	0.6
108.02183	0.5
113.02423	0.7
119.92584	0.5
121.02944	3.4
121.46709	0.5
122.03750	1.9
123.00901	0.7
124.01774	0.6
135.04543	0.8
136.05299	1.2
137.02393	0.6
143.05008	0.7
147.04536	2.8
149.02448	0.6
150.03223	2.0
151.04050	0.5
152.03529	1.9
158.03734	2.5
159.03224	0.7
159.04520	8.9
160.05312	27.1
161.04646	0.8
161.06075	7.1
163.03989	1.4
164.04810	2.0
165.05763	0.7
167.51540	0.5
173.06065	4.1
174.06859	2.1
175.07661	23.3
176.04816	0.9
176.08061	0.6
177.05589	3.8
178.06372	15.0
179.67567	0.5
192.07927	5.9
193.08711	2.4
226.79147	0.5
314.11600	0.7
329.13953	100.0
330.14267	4.8
359.14999	3.4
519.87848	0.5
521.20410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17331	0.6
59.01372	2.3
66.80030	0.6
69.30912	0.7
69.53983	1.4
69.54373	1.4
71.01391	2.5
72.91975	0.6
73.02944	1.4
77.48331	0.6
83.01405	0.7
85.02940	1.4
89.02465	1.4
99.00919	0.8
101.02457	2.2
106.57930	0.7
113.02480	1.2
115.95670	0.6
121.02959	3.8
122.03755	1.7
124.01851	0.7
135.04568	0.8
136.05266	1.5
147.04520	1.6
149.02426	0.7
149.04437	0.8
150.03226	1.2
158.03746	2.9
159.04504	7.6
160.05312	28.6
161.04601	1.7
161.06107	8.5
163.04053	1.6
164.04819	2.7
168.77431	0.6
173.06126	3.7
174.06894	1.8
175.07663	27.2
176.07944	0.7
177.05605	2.1
178.06375	16.4
192.07962	9.4
193.08649	2.2
203.30238	0.6
212.99644	0.6
224.98495	0.7
270.47519	0.6
297.43451	0.6
299.12762	0.8
311.09375	0.9
314.11444	1.2
329.13968	100.0
330.14255	5.8
359.15106	2.3
490.91553	0.8
521.26025	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16333	0.3
59.01175	0.3
59.01386	3.2
69.18694	1.9
71.01395	3.7
73.02948	0.7
75.00868	0.4
77.62019	0.3
85.02954	1.2
85.06629	2.0
87.00851	0.4
89.02430	1.1
93.03448	0.4
99.00901	0.4
99.54279	0.3
101.02441	1.9
108.02206	0.4
109.02997	0.6
113.02440	1.1
116.92866	1.3
117.47505	0.3
119.03519	0.3
121.02966	3.3
122.03751	2.0
123.00977	0.4
123.04515	0.8
131.05058	0.4
132.04552	1.6
134.06151	1.1
135.04539	1.7
136.01691	0.4
136.05299	1.3
137.06067	0.7
143.05017	0.9
147.04526	1.6
149.02423	1.3
149.04564	0.4
150.03221	1.5
150.05617	1.1
151.03992	0.7
153.05586	0.5
158.03758	2.4
159.04514	7.6
160.05316	27.3
161.04599	1.1
161.06064	7.0
161.07384	0.5
162.62735	0.4
163.04025	1.8
164.04797	2.5
165.05565	0.4
173.06078	3.4
174.06927	1.7
175.07654	24.3
176.04799	0.5
176.07973	0.5
177.05566	3.5
178.06372	13.6
189.06711	1.0
191.05685	1.2
192.07930	6.0
193.08708	3.0
279.11417	1.5
297.12741	0.7
299.12885	0.5
314.11859	0.9
329.13953	100.0
330.14346	5.0
335.26263	0.4
359.14969	4.2
459.17783	0.5
477.18719	3.3
485.18195	1.8
503.19382	0.5
521.20538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
57.03452	2.7
59.01388	39.2
71.01388	28.6
72.99320	1.4
73.02954	9.7
82.93533	1.2
83.01379	5.8
85.02962	10.1
86.00114	2.0
87.00879	5.4
87.50439	1.2
89.02451	11.2
95.01398	1.6
98.62139	1.3
99.00887	3.3
101.02448	21.1
109.02952	1.3
111.00926	2.3
111.67889	1.1
113.02444	7.0
115.66943	1.2
119.03519	1.5
121.02966	6.1
125.02415	1.9
131.03490	2.2
135.04507	1.6
145.02971	2.4
147.77956	1.3
149.04585	2.4
151.04054	2.1
159.04518	3.2
161.04526	3.5
185.11914	1.7
240.04495	1.7
267.06595	2.8
268.07364	3.5
269.08099	5.7
270.08926	3.0
280.07550	1.5
281.08176	8.1
282.08865	8.4
283.09778	5.3
293.08313	5.0
295.09790	5.1
296.10535	2.3
299.09351	3.4
301.20139	3.1
311.09317	6.3
312.09946	2.7
314.11584	8.1
315.12268	3.8
326.11600	15.9
327.12305	8.4
329.13931	11.4
341.13913	11.1
343.11920	3.5
355.11801	7.3
359.20691	1.8
369.13477	1.8
385.15057	1.7
389.21393	1.8
389.25516	14.4
424.33734	1.2
445.14810	2.5
461.14191	2.8
473.14456	6.6
476.16983	9.3
488.16837	10.0
491.19299	87.0
492.19623	4.9
503.19263	100.0
504.19693	6.9
521.26123	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	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04453	3.5
50.87789	3.1
52.16426	3.0
58.72675	2.7
59.01385	100.0
60.99316	5.0
69.93554	10.2
71.01384	47.2
84.68976	3.4
85.02941	7.9
87.00869	4.4
88.98826	17.9
89.02453	61.8
95.01376	4.3
101.02455	17.1
109.02926	3.6
110.02079	3.2
113.02454	22.3
119.03534	28.2
143.03564	4.3
149.04573	4.7
152.95691	3.4
161.04561	3.3
179.05635	7.6
213.05148	3.8
255.10223	4.5
283.09769	25.9
296.10403	4.4
310.12000	3.4
311.09283	54.9
326.11636	36.8
329.13803	5.2
341.13965	56.2
503.18625	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16333	0.3
59.01175	0.3
59.01386	3.2
69.18694	1.9
71.01395	3.7
73.02948	0.7
75.00868	0.4
77.62019	0.3
85.02954	1.2
85.06629	2.0
87.00851	0.4
89.02430	1.1
93.03448	0.4
99.00901	0.4
99.54279	0.3
101.02441	1.9
108.02206	0.4
109.02997	0.6
113.02440	1.1
116.92866	1.3
117.47505	0.3
119.03519	0.3
121.02966	3.3
122.03751	2.0
123.00977	0.4
123.04515	0.8
131.05058	0.4
132.04552	1.6
134.06151	1.1
135.04539	1.7
136.01691	0.4
136.05299	1.3
137.06067	0.7
143.05017	0.9
147.04526	1.6
149.02423	1.3
149.04564	0.4
150.03221	1.5
150.05617	1.1
151.03992	0.7
153.05586	0.5
158.03758	2.4
159.04514	7.6
160.05316	27.3
161.04599	1.1
161.06064	7.0
161.07384	0.5
162.62735	0.4
163.04025	1.8
164.04797	2.5
165.05565	0.4
173.06078	3.4
174.06927	1.7
175.07654	24.3
176.04799	0.5
176.07973	0.5
177.05566	3.5
178.06372	13.6
189.06711	1.0
191.05685	1.2
192.07930	6.0
193.08708	3.0
279.11417	1.5
297.12741	0.7
299.12885	0.5
314.11859	0.9
329.13953	100.0
330.14346	5.0
335.26263	0.4
359.14969	4.2
459.17783	0.5
477.18719	3.3
485.18195	1.8
503.19382	0.5
521.20538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12883	0.9
52.72315	0.9
61.98830	1.5
69.56300	0.9
69.63939	2.9
73.97690	0.9
76.56493	0.9
80.34071	0.9
107.05007	1.7
137.55734	0.9
155.08684	2.2
162.03206	1.2
171.08150	3.9
173.06079	0.9
181.06596	1.4
181.22047	0.9
185.06079	0.8
186.06804	1.2
187.07582	2.0
189.01944	2.9
189.41864	1.0
190.02618	5.0
197.06102	1.7
198.06848	1.3
199.07655	26.2
199.24081	1.0
203.03526	2.1
209.08147	1.9
215.07117	3.3
225.05658	1.8
226.06482	1.0
227.07054	4.9
229.05061	7.4
240.57071	0.9
243.06618	100.0
244.07344	11.4
312.13678	80.6
313.14441	76.1
313.57095	1.0
314.14832	3.8
521.21796	33.8
522.22058	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2185
Annotation	Euchretin M
Peak:m/z	Relative Intensity
61.98835	0.8
70.32262	0.9
106.74619	0.4
107.05032	0.5
124.01678	0.7
125.02460	0.4
135.00847	0.6
137.02396	0.6
138.03203	0.9
139.04001	0.5
153.05702	0.5
155.84064	0.5
165.01941	1.7
174.03159	0.5
180.04250	0.8
181.05037	0.4
183.08122	0.5
185.09677	1.0
197.06123	0.6
199.07642	0.9
203.03506	1.0
204.04286	0.8
209.06128	1.0
210.06848	0.6
211.07663	1.6
213.09190	1.8
215.03690	0.6
223.07625	1.0
225.05490	0.5
227.07217	0.7
229.08711	0.7
238.44165	0.4
239.07034	0.6
241.04980	0.6
242.05653	0.5
243.06670	2.0
255.06761	3.0
256.07178	1.1
257.08200	24.0
258.08640	1.9
269.08154	0.5
270.09015	0.6
285.07739	4.0
301.08673	0.5
313.14417	1.6
314.19724	0.5
319.09814	0.5
325.14514	1.0
326.15262	4.9
327.15717	0.5
335.09351	0.5
337.03464	0.9
343.09726	0.5
347.09262	1.1
354.14725	1.5
363.08759	0.6
367.15421	1.0
375.08255	0.5
377.14127	0.6
387.08652	0.6
389.10300	1.0
391.08145	3.6
404.09033	0.6
406.10522	2.2
407.11307	1.9
409.12817	1.1
419.11362	0.8
421.12903	9.2
422.13504	0.7
423.14423	0.6
435.14395	0.7
457.16724	2.5
458.17221	0.6
461.16306	0.5
463.17484	1.8
472.18784	1.4
473.16168	0.7
477.18970	1.3
491.20859	3.0
502.76880	0.5
503.20779	3.3
521.21814	100.0
522.22046	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	521.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64027	0.8
57.06438	0.7
58.00615	0.6
59.01387	34.7
61.98836	3.5
64.20790	0.7
69.42670	3.6
71.01389	26.7
73.02943	5.4
83.01392	1.5
85.02962	5.8
87.00894	2.2
89.02452	33.0
93.03446	1.0
98.21775	0.8
99.00897	3.5
101.02462	18.0
113.02480	6.6
117.03494	1.9
119.03507	3.1
119.05032	2.7
121.02943	5.6
122.03767	1.7
123.04514	1.6
125.02473	1.6
129.10410	0.8
131.03517	10.8
133.02945	1.6
135.04518	1.3
136.05336	1.6
137.02444	1.1
145.02965	8.6
146.03716	0.7
147.04512	1.9
149.02556	1.7
149.04568	26.7
150.03247	3.1
151.27962	0.8
153.05605	1.5
153.09311	3.6
158.03729	2.4
159.04521	8.6
160.05315	26.5
161.02464	1.5
161.04591	2.9
161.06084	10.4
162.03212	2.5
163.04002	5.7
164.04871	3.3
165.05516	1.5
173.04802	0.7
173.06009	4.1
175.07658	23.7
176.04843	0.9
177.01930	0.9
177.05592	6.6
178.06378	11.0
179.03404	0.8
179.07028	1.0
191.05623	6.3
192.07950	5.1
193.05029	1.3
193.08624	3.4
197.08168	1.3
201.11247	1.4
205.05116	1.4
205.12122	0.7
235.06047	1.5
265.07233	2.7
269.08197	3.2
281.08401	0.9
283.09644	1.3
285.03986	0.9
293.08789	1.9
299.09329	2.2
311.09338	2.6
314.11697	4.3
315.12527	0.9
326.11478	1.3
329.13959	100.0
330.14172	5.6
341.10153	1.5
341.13943	3.7
341.19876	1.2
342.04526	0.7
359.14981	2.8
389.21561	1.6
389.25961	1.2
401.12552	0.8
478.23959	1.7
503.15567	2.9
521.19391	1.1
521.26190	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	521.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40454	1.1
57.03443	1.6
59.01385	30.4
71.01385	18.5
73.02943	10.7
75.00958	1.3
83.01382	2.7
85.02959	3.2
87.00874	1.1
89.02447	23.1
90.22377	1.0
98.22607	2.7
99.00883	21.6
101.02448	12.0
109.02951	1.5
113.02433	5.0
120.44289	1.0
121.02943	1.9
122.29363	1.0
124.36771	1.0
125.02439	4.0
126.54489	1.0
128.03491	1.0
128.20090	1.1
131.03529	3.8
133.02922	1.2
134.03679	2.1
135.04530	3.1
136.01688	14.2
137.01988	5.3
138.02158	1.9
142.01707	1.0
149.02516	1.3
149.04535	5.4
150.03154	1.3
151.04021	20.2
152.04327	8.4
153.04480	4.0
153.09189	3.0
161.02457	4.6
161.04500	2.0
177.05530	1.3
179.03491	2.2
182.34117	1.1
190.05074	5.5
191.03864	1.6
191.05554	7.4
197.08206	3.6
209.11827	4.6
243.59927	1.1
323.07675	1.8
357.13391	5.0
358.13766	7.3
359.14188	15.0
389.18182	3.1
431.14420	1.5
445.95172	1.2
484.14572	1.5
485.14969	4.3
502.85037	1.1
521.22406	100.0
522.22668	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30667	0.9
59.01384	25.7
61.98818	0.9
69.03482	1.2
69.08345	1.8
69.08755	5.7
71.01392	18.3
72.99285	1.2
73.02954	8.7
77.21051	1.0
83.01385	1.3
85.02953	2.2
87.00838	1.1
89.02456	21.7
95.04993	1.1
97.02914	1.4
98.21884	2.2
99.00888	18.7
101.02449	11.0
109.02924	1.7
113.02451	4.9
121.02924	1.0
123.04512	1.3
125.02436	3.9
128.88672	1.0
131.03523	2.8
135.04550	2.0
136.01657	10.0
137.02052	3.1
138.02087	2.0
138.80150	1.2
149.04565	3.8
150.03246	1.2
150.56349	1.1
151.04015	14.3
152.04388	6.2
153.04483	3.2
153.09245	2.1
159.19528	0.9
161.02414	2.5
161.04564	1.4
163.04008	1.6
179.03532	1.2
190.05191	6.1
191.05603	7.5
193.05046	1.5
195.06697	1.2
197.08218	3.2
209.11861	3.1
253.82547	1.1
287.09412	1.1
323.07776	1.9
337.48990	1.0
357.13394	4.7
358.13809	4.5
359.14252	10.0
365.06653	0.9
389.18015	3.5
480.77441	1.2
484.14615	1.8
485.15292	2.1
521.22424	100.0
522.22876	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	521.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50953	17.0
59.01346	19.3
61.98827	29.4
68.55512	18.3
69.17168	100.0
83.79993	17.7
85.81219	16.3
91.01446	17.7
94.00510	17.3
115.08720	20.8
118.89594	17.5
308.76791	16.5
422.20230	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	521.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28403	19.5
53.13283	18.2
53.32687	18.3
62.86435	22.2
69.19749	100.0
74.36362	28.6
76.06187	20.4
87.18121	22.0
98.22712	36.6
162.05391	22.3
239.20248	30.9
250.52634	19.6
314.99164	22.8
346.20511	27.0
371.36417	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	521.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77656	1.5
57.03457	3.0
59.01389	36.7
61.98841	3.4
69.22559	9.5
71.01386	26.1
72.99330	1.7
73.02962	10.8
75.00880	3.2
81.35673	1.4
83.01405	3.2
85.02975	7.9
87.00900	11.8
87.04519	2.6
89.02455	26.4
93.61699	1.8
95.01421	1.8
95.26924	1.5
97.06628	2.0
99.00893	5.9
101.02457	15.8
109.06538	1.5
113.02459	9.3
119.03524	3.8
119.70577	1.7
121.02962	3.5
125.02472	3.1
125.09749	14.7
131.03517	6.2
143.03500	2.9
149.00890	2.3
149.04556	13.5
151.88927	1.4
153.09206	8.4
155.10780	5.2
157.08717	4.9
159.04530	3.9
160.05278	11.7
161.04573	4.7
161.06062	4.7
163.04031	1.6
171.10286	36.6
171.11670	3.2
175.07626	8.9
178.06363	6.8
191.05653	4.4
192.07896	4.3
197.08199	2.6
201.11349	85.2
215.12912	15.9
217.14418	2.0
245.12787	1.5
269.08133	2.3
299.09265	1.9
311.09521	1.9
314.11731	3.1
329.13965	53.8
330.14233	3.0
341.10391	2.7
341.14178	3.2
371.24414	37.8
372.24594	2.3
389.25555	100.0
390.25803	5.2
407.70856	1.6
461.20325	5.0
485.26407	1.9
521.19000	3.3
521.26172	35.1
522.26318	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	521.2608
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
50.69128	0.6
54.96995	0.6
55.01885	4.4
55.15328	0.6
55.15631	0.6
57.03455	3.5
59.01386	47.5
61.98864	0.6
69.03467	3.4
69.12740	3.9
71.01389	63.6
72.54320	0.5
72.99309	1.4
73.02955	24.4
75.00882	2.7
81.03444	2.1
83.01395	10.0
85.02962	24.4
87.00884	5.2
89.02458	30.8
93.03453	1.4
95.01403	5.1
97.02972	6.0
99.00892	15.9
99.04520	1.5
101.02455	47.3
101.54254	0.5
109.02960	1.1
111.00902	1.7
113.02462	21.3
115.04017	4.9
119.03501	1.8
125.02463	9.1
129.01981	0.9
131.03522	7.6
135.04536	1.8
137.02443	1.1
143.03510	4.4
147.11810	1.4
149.02522	0.6
149.04570	12.8
151.04012	0.8
152.07155	1.7
159.03009	4.0
161.04568	22.8
173.04610	1.6
183.13927	2.1
184.30106	0.7
191.05627	12.6
227.16519	1.1
233.06706	8.5
275.07867	0.8
288.82208	0.6
293.08749	5.3
317.10333	0.9
353.08932	0.9
359.15057	0.8
371.09830	1.4
389.21844	37.3
390.22324	1.4
475.21732	7.0
491.19330	2.0
503.19275	2.3
521.26105	100.0
522.26428	6.4
532.39856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33179	1.8
55.01874	2.6
57.03432	3.3
59.01387	63.4
61.98838	23.9
69.47352	10.9
71.01389	50.8
72.99310	3.2
73.02956	17.5
73.79253	2.0
82.74127	2.4
83.01389	10.6
85.02952	19.5
85.10641	2.0
87.00874	9.4
89.02462	20.4
95.01414	4.0
99.00887	5.6
99.19617	2.2
101.02459	39.3
103.03991	2.2
105.03471	6.7
109.02927	3.9
109.43142	2.7
111.00885	3.6
113.02463	15.9
113.09891	2.4
119.03561	2.6
121.97128	2.2
123.04510	2.7
124.75993	2.4
125.02416	2.9
131.03520	8.7
133.02925	11.4
134.03769	3.6
135.04515	4.0
145.02824	2.2
149.00911	5.1
149.04570	5.3
155.10783	2.5
161.04587	11.0
177.01938	70.7
178.02521	3.1
198.04411	2.2
201.09169	2.4
211.13295	2.7
315.18051	5.2
321.04419	2.7
327.15933	2.9
329.19672	16.5
345.17093	7.5
359.27994	5.2
389.15915	3.6
413.25250	2.6
429.24976	3.1
447.26044	5.2
461.23935	100.0
462.24319	6.2
521.16315	5.5
521.26953	3.2
521.33521	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
69.11831	3.0
91.05602	0.5
107.05054	0.8
117.03481	1.0
121.02971	0.7
132.02144	0.8
133.02975	24.4
133.46866	0.5
134.03764	15.8
135.04541	45.9
136.04874	0.6
137.02397	2.5
139.04034	0.5
149.10374	0.4
150.03250	0.5
153.85490	0.5
154.92862	0.5
161.02460	90.8
162.02829	1.8
168.59398	0.4
173.46300	0.4
178.02698	1.4
179.03519	19.4
198.29265	0.4
231.51668	0.5
235.06198	0.9
267.19540	0.7
285.20758	7.0
333.55765	0.4
361.24121	0.8
429.22830	35.4
430.23151	3.3
447.23859	15.5
448.24091	0.9
470.10275	0.4
521.27594	100.0
522.27979	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	521.2972
Annotation	glas#22
Peak:m/z	Relative Intensity
57.03447	1.7
59.01382	23.5
61.98837	9.0
71.01389	13.2
73.02944	3.9
79.44071	1.2
83.01368	3.4
84.19200	1.0
85.02974	4.9
87.00858	1.7
89.02454	6.9
94.29220	1.0
95.01392	1.4
95.46037	0.8
97.06572	1.6
99.00881	1.4
101.02448	10.5
104.88203	0.9
108.61780	1.0
111.00848	1.3
113.02464	5.8
113.09690	1.1
116.92853	1.8
116.99868	0.8
119.03515	2.0
123.08154	4.0
133.02933	1.2
135.00868	1.3
135.04507	1.3
160.84242	7.6
161.02441	1.5
161.04576	1.8
162.83931	9.7
177.01909	1.6
179.03456	2.1
185.11790	1.2
191.05467	1.0
196.92291	1.0
201.11307	1.3
238.84998	0.9
277.21722	1.9
341.23358	9.3
359.24277	1.5
451.13287	1.0
521.29596	100.0
522.30090	6.9
530.11383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2973
Annotation	Lanceolitol A2
Peak:m/z	Relative Intensity
55.01867	2.0
57.03441	1.5
59.01134	1.1
59.01387	16.4
61.98841	6.7
62.57096	1.4
71.01094	1.1
71.01389	11.8
71.41964	1.3
71.63999	1.0
72.99306	2.6
73.02937	4.8
77.34151	1.1
80.34126	1.0
83.01378	4.1
85.02959	8.2
87.00858	1.8
89.02440	2.0
92.88075	1.2
95.01373	1.2
95.05020	1.1
101.02448	10.0
108.02156	3.0
109.02941	2.7
113.02419	5.8
123.08155	3.4
135.04527	3.4
152.01181	2.9
162.03221	6.3
171.13741	1.5
177.01956	7.8
177.05548	6.0
179.03467	3.0
272.39734	1.2
277.21597	1.9
343.11719	1.2
359.24121	1.9
359.28125	1.8
426.17630	1.0
447.25702	1.3
477.17621	1.5
521.16656	3.0
521.29553	100.0
522.30035	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	521.2974
Annotation	Lanceolitol A2
Peak:m/z	Relative Intensity
55.01883	1.3
57.03448	1.3
59.01386	11.1
61.98829	5.3
69.47771	2.7
71.01387	8.6
71.30564	0.5
71.70927	0.5
72.99308	1.1
73.02956	4.8
78.95890	0.5
81.80479	0.5
83.01404	3.0
85.02947	5.8
87.00848	1.2
89.02432	1.7
97.06593	1.0
99.00867	1.7
101.02457	8.7
108.02165	0.7
111.00910	1.0
113.02463	4.1
121.02962	0.7
123.00863	0.7
123.04490	0.6
123.08173	2.5
134.03748	0.8
161.04610	1.1
162.03235	8.0
171.13950	1.2
177.01920	0.8
177.05586	7.6
199.27650	0.5
257.13773	0.7
277.21646	1.8
295.22723	1.2
313.10779	0.7
341.22964	0.7
359.24356	1.1
359.28244	1.1
362.19370	1.5
384.15967	0.6
385.15814	0.6
521.29559	100.0
522.30017	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	521.2973
Annotation	Lanceolitol A2
Peak:m/z	Relative Intensity
50.42735	0.5
51.17677	0.5
55.01859	1.5
57.03440	1.7
59.01387	26.2
61.98837	4.1
69.03451	0.6
69.09845	3.3
71.01390	20.2
71.05001	0.5
72.68760	0.4
72.88947	0.4
72.99303	1.4
73.02958	4.5
74.23344	0.4
75.00878	0.7
82.95393	1.4
83.01395	2.9
85.02959	7.9
87.00883	2.2
89.02453	10.0
93.03419	0.6
94.49654	0.4
95.01404	1.1
95.05016	0.5
97.06580	2.0
99.00870	2.1
99.04489	0.5
101.02448	15.0
111.00874	0.8
111.08113	0.9
113.02460	7.0
113.09729	0.6
116.92847	1.7
119.03545	2.8
123.08166	4.5
125.02448	1.0
129.01926	0.5
131.03525	2.2
133.02914	0.6
134.03740	0.7
135.04514	1.5
137.02534	0.5
137.09692	0.8
141.09290	0.5
143.03520	0.5
149.04558	1.5
155.10774	1.3
159.02910	0.5
161.02383	1.3
161.04514	1.9
167.10745	2.6
177.01913	1.3
178.59357	0.5
179.03445	1.1
179.05498	0.7
185.11800	0.5
191.05611	0.6
201.11284	1.3
222.65492	0.4
233.06642	0.5
277.21777	2.1
293.08597	1.0
295.22824	0.7
327.25244	0.6
329.13873	1.0
329.23386	3.3
341.23312	10.7
345.16971	0.5
359.24313	1.5
359.28235	2.4
389.20892	0.8
389.25836	4.3
396.31018	0.6
396.74677	0.5
491.19177	3.4
503.19299	3.5
503.26407	0.6
503.28906	0.5
521.29553	100.0
522.29950	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76531	1.6
69.50538	7.1
69.50836	1.7
78.91901	3.7
95.05051	3.1
96.68613	1.5
105.03461	12.0
116.92877	1.7
132.02193	4.1
133.02968	43.1
134.03752	12.4
135.04543	3.8
137.02454	2.4
148.05283	3.7
152.99593	2.8
160.01680	24.9
161.02489	15.4
161.06065	3.5
175.04015	68.9
177.01834	2.3
178.02635	2.7
179.03537	3.8
193.05110	4.0
247.09740	2.4
257.28815	1.8
271.22821	9.6
279.23285	4.1
289.14487	2.1
317.17630	3.2
331.19312	2.1
339.44455	1.5
345.20480	3.0
361.27487	3.3
373.23792	1.9
415.25177	10.6
428.56827	2.1
429.26541	23.2
433.26071	3.3
447.27567	47.7
448.28000	3.1
506.28854	3.9
512.22113	2.1
521.31232	100.0
522.31805	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76271	1.2
59.01374	4.1
61.98816	1.8
68.77139	1.1
72.59417	1.3
76.76166	1.2
78.91862	1.7
78.95909	2.7
89.18833	1.2
91.03994	1.2
95.05057	3.3
101.30536	1.1
105.03472	12.5
130.83635	1.2
132.02171	3.3
133.02969	44.7
134.03763	15.2
135.04558	4.4
137.02420	3.7
139.03905	1.3
148.05328	4.5
160.01672	28.9
161.02451	21.0
161.06116	2.1
162.03316	1.7
175.02495	3.0
175.04024	62.4
177.01965	3.0
178.02615	2.4
179.03514	2.5
193.05046	4.4
232.22832	1.4
247.09720	1.6
261.11252	2.3
271.13684	1.5
271.22733	9.7
275.12915	1.4
289.14465	1.9
303.15933	1.4
317.17514	2.6
327.19617	2.5
331.19046	2.8
345.20734	5.6
347.26050	1.8
359.22086	2.2
361.27597	4.5
415.25079	10.5
429.26483	26.0
433.26160	3.7
447.27560	45.9
447.33862	2.5
448.27887	2.2
448.69293	1.5
506.28812	2.6
521.31262	100.0
522.31647	6.9
533.57764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67666	0.4
55.01883	4.5
57.03170	0.5
57.03454	6.3
58.00596	0.5
59.01386	31.3
61.98835	4.1
62.75231	0.4
69.03458	1.0
71.01389	36.1
71.05049	0.5
72.99307	0.8
73.02955	16.0
74.02486	0.8
75.00861	1.1
83.01395	8.2
85.02959	19.9
85.03480	1.0
86.00106	0.6
87.00887	3.3
89.02456	7.8
93.03506	0.6
93.07110	4.6
95.01381	3.2
97.02975	1.4
99.00890	5.0
101.02451	31.1
102.02767	0.4
111.00900	4.4
111.08132	0.5
113.02457	13.9
119.03519	1.6
125.02451	1.1
129.01947	1.5
130.08806	0.5
131.03490	1.8
135.04547	0.9
136.68629	0.4
137.02290	0.6
137.23360	0.4
141.01918	0.5
143.03477	0.8
143.10793	3.0
149.04581	3.4
150.03169	0.5
155.10750	0.7
159.02979	3.5
160.04050	0.6
161.04578	9.8
161.13322	0.7
177.01924	1.6
179.03604	0.6
191.05710	1.2
229.18094	6.0
261.46072	0.6
281.89398	0.4
305.16132	1.3
329.13907	1.3
329.26971	0.5
343.24664	0.5
345.16833	0.5
359.28012	7.0
389.24725	1.8
391.23395	16.5
392.23654	0.6
461.31198	1.7
485.31070	0.7
491.19110	1.9
491.32196	2.0
503.19223	1.8
503.32416	0.7
521.26721	4.0
521.33362	100.0
522.33582	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	522.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
61.98837	100.0
65.17622	0.3
69.19755	1.8
71.01395	0.9
85.02997	0.4
97.83961	0.3
102.60995	0.3
113.02464	0.3
113.31561	0.3
123.04588	0.4
153.05646	0.4
161.02483	0.6
166.05225	0.5
173.06143	0.5
175.39468	0.3
175.64346	0.3
177.01926	0.6
187.34004	0.3
190.02728	0.6
191.03114	0.3
206.02185	0.3
261.07706	0.3
323.38898	0.3
361.12930	0.6
455.61530	0.3
522.20428	2.0
523.14508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84935	0.3
59.01385	2.2
61.98836	100.0
70.91834	0.6
71.01382	1.3
71.63271	0.4
73.81316	0.4
75.00861	0.6
80.36269	0.4
85.02959	0.9
89.02477	0.6
101.02471	0.9
104.32496	0.4
107.03741	0.3
113.02445	0.5
119.05041	0.7
124.30232	0.4
124.40737	0.4
145.02962	0.9
161.06142	0.6
163.04030	1.3
177.01973	1.1
205.05128	1.1
235.06168	1.1
235.65804	0.5
265.07263	1.7
307.22253	0.4
325.09412	0.8
448.26523	0.8
462.24484	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	522.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.3
60.21520	0.7
61.98834	100.0
71.01385	4.1
73.02950	5.3
83.01395	0.9
87.00925	0.7
89.02466	2.0
96.36678	0.7
101.02451	5.5
113.02465	2.3
119.03574	0.9
125.02474	0.8
131.03508	0.9
135.04568	1.0
149.04594	1.0
161.04620	3.7
177.02029	2.7
190.02783	0.9
191.03168	1.0
195.71559	0.8
219.33995	0.6
242.24594	0.8
303.22498	0.8
308.88541	0.7
313.20410	0.8
326.84787	0.8
361.13083	2.5
521.33405	0.9
522.21039	2.6
522.33844	1.1
523.18225	2.1
546.52789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
69.59750	2.6
79.27460	0.7
81.31439	0.6
96.96003	2.7
98.21909	1.0
111.23943	0.7
117.03444	0.9
118.25271	0.7
119.05034	60.4
120.05379	1.3
145.02962	5.7
160.04121	0.8
161.22340	0.7
163.04019	100.0
164.04349	2.1
181.57251	0.7
197.02316	0.8
325.09286	35.3
326.09592	2.0
393.52338	0.7
408.55255	0.7
523.12439	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	523.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.4
61.77174	3.0
61.98834	52.4
69.12019	21.7
71.01411	10.2
85.02933	5.4
89.02452	6.6
93.03467	3.8
101.02460	6.4
101.55920	3.8
103.65824	3.4
117.03486	8.1
119.05028	60.3
121.03037	3.4
125.09574	3.3
133.06607	15.9
145.02968	64.6
159.04436	3.5
161.06061	35.0
163.04033	67.5
177.05597	13.9
179.03583	5.8
183.18257	3.4
187.03882	3.9
190.14417	3.6
193.06668	5.3
205.05063	45.6
225.05592	4.3
235.06146	69.0
235.08493	3.5
256.07358	3.9
265.07166	100.0
266.07593	6.4
270.05331	4.3
271.09781	6.3
325.09354	43.3
345.09705	12.7
368.96774	3.8
451.26337	4.6
475.14145	4.8
523.34930	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	523.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	47.1
61.98825	3.9
69.03459	4.2
71.01389	28.8
71.05029	30.4
75.29250	1.1
82.95451	1.7
83.01440	1.5
85.02948	3.9
87.00882	1.8
89.02448	43.3
95.01381	2.3
97.02432	1.2
97.02953	7.1
101.02465	13.1
113.02467	17.6
114.02766	1.5
115.04021	100.0
116.04343	1.4
119.03524	18.6
131.03529	3.4
143.03534	8.0
149.04605	1.5
159.99419	1.0
161.04564	8.0
179.05623	48.5
180.05975	1.2
196.02559	2.8
234.10556	1.2
293.08798	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	523.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44545	1.6
57.30013	1.5
59.01385	100.0
61.98817	2.4
69.03465	6.9
70.96644	2.6
71.01388	33.4
72.99327	2.2
73.02949	14.7
81.03488	2.9
83.01400	3.2
85.02954	10.4
89.02451	18.0
96.96011	4.2
97.02944	8.0
101.02450	23.7
103.04025	22.1
107.23522	1.5
107.24339	1.4
107.25095	1.4
111.00905	4.2
115.04022	2.3
119.03515	9.0
125.02469	19.8
127.03999	3.2
129.45648	1.3
140.01178	43.9
140.02229	2.7
141.01994	10.9
143.03535	2.7
145.05089	5.0
155.03523	32.5
163.04001	3.9
163.06155	16.9
164.37672	1.8
168.56657	1.4
196.06003	1.8
196.48116	1.6
247.08246	5.6
307.10339	18.2
361.09738	2.3
449.12863	3.1
522.93872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1773
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
57.29714	4.2
71.42905	4.2
78.95905	61.8
99.92603	16.2
100.93378	5.8
110.98555	14.7
115.70882	4.8
115.92108	18.4
116.92866	11.9
120.81913	4.5
164.90536	12.9
178.88428	12.7
179.89195	27.8
180.89975	10.9
181.90704	6.4
193.90758	38.9
194.91609	21.3
196.89471	36.9
255.23343	6.2
345.68054	4.5
523.17682	100.0
524.17841	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	523.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34684	1.0
58.00581	1.3
59.01387	29.0
61.98828	1.7
69.73407	3.6
71.01018	1.8
71.01388	21.3
73.02957	7.8
83.01360	1.7
85.02943	4.6
87.00882	1.9
89.02453	18.9
95.01368	1.3
101.02456	14.6
113.02473	7.2
119.03502	8.5
122.03706	1.4
125.02464	2.9
131.03566	1.4
135.08185	1.8
137.09729	8.4
149.04602	1.7
155.10793	100.0
156.11098	2.1
161.04535	3.2
165.05566	2.4
179.05618	2.5
181.08704	1.7
199.09778	62.4
199.13435	4.8
200.10077	1.4
241.10722	3.7
253.10823	1.9
271.11627	1.2
331.17508	1.4
343.13937	17.3
361.16479	6.4
391.27167	18.8
398.36438	1.1
463.21875	5.0
523.20477	47.1
524.20892	3.6
542.14032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.8
59.01388	36.0
61.98835	4.6
64.07034	1.9
69.03465	1.9
70.47827	3.9
70.48158	2.0
71.01391	31.7
72.01727	3.8
73.02948	8.1
83.01393	4.0
85.02950	12.9
89.02449	19.3
90.93645	1.8
99.00882	2.5
101.02462	23.4
113.02470	15.0
117.98901	1.8
119.03506	2.2
125.02461	2.6
131.03545	4.1
137.09743	7.4
143.03500	2.8
149.04555	5.4
155.10809	81.4
156.11168	3.0
161.04573	6.8
179.05649	2.7
180.03027	3.0
191.05603	2.7
195.43044	2.0
199.09802	100.0
200.10092	2.9
241.10864	5.2
301.12891	3.6
331.17715	5.8
341.59567	1.9
343.13849	4.3
361.15073	3.6
391.22647	6.7
391.27151	3.3
463.21970	20.2
477.22571	2.6
523.27454	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	523.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40805	0.2
54.74832	0.2
56.16050	0.3
59.01382	6.3
61.98815	0.2
65.26117	0.2
69.05359	1.6
71.01395	2.6
73.82246	0.3
82.53195	0.2
85.02955	0.8
85.08767	0.2
89.02447	1.7
95.01398	0.3
98.21877	0.4
101.02464	1.5
109.02969	0.4
113.02456	1.1
118.04277	1.3
119.03500	0.5
133.02956	0.5
134.03767	0.6
145.02972	0.9
148.01709	0.5
161.02467	0.9
162.03227	1.9
171.08168	0.9
173.02478	0.3
176.36546	0.2
179.07324	0.4
185.06091	0.2
187.07719	0.5
189.01949	3.1
190.02734	15.5
191.03085	0.6
197.06058	0.4
199.07664	3.1
201.01866	1.2
201.05559	0.6
203.03488	2.0
204.04272	0.6
213.09262	0.4
215.07143	0.8
216.04292	0.3
222.01706	2.8
226.06462	0.2
229.05040	1.2
230.05852	0.9
243.06635	40.6
244.07213	2.9
257.08224	4.5
258.08905	0.8
287.09271	9.9
288.09592	0.6
311.12854	1.5
313.10870	0.4
313.14438	3.3
315.08664	0.5
328.13181	12.7
329.13940	4.8
330.14496	0.9
343.15533	14.2
344.15875	0.7
346.14188	1.3
347.15005	8.5
361.16522	1.5
361.29636	0.3
375.14346	0.4
389.16138	0.7
423.76596	0.2
508.19577	1.9
523.21887	100.0
524.14514	0.6
524.22168	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70719	0.8
54.52671	0.7
57.03444	1.2
59.01385	17.4
61.98829	3.4
65.14691	0.8
69.67692	3.3
71.01386	9.1
73.02943	1.0
85.02969	2.9
89.02461	8.3
95.01408	1.0
99.00870	0.8
101.02441	4.9
108.02215	1.1
109.02993	0.9
113.02480	3.3
118.04303	6.0
119.03548	2.2
134.03783	1.1
135.04539	3.6
143.07205	1.5
145.02995	1.9
147.04544	1.2
150.03275	1.0
161.02487	1.3
161.04639	1.0
162.03206	6.6
162.04192	0.7
163.04034	0.9
165.05647	1.2
171.08107	0.8
177.02039	1.2
178.02490	0.9
179.05629	2.3
189.01929	6.8
190.02737	48.3
191.03284	1.8
192.94307	0.8
199.07674	2.4
201.02060	1.0
203.03558	2.0
204.04260	1.1
205.05081	10.8
206.02176	1.1
217.01378	0.9
222.01805	3.6
225.05629	1.0
230.06010	1.3
243.06622	23.4
243.10330	1.2
244.07367	3.2
257.08322	2.1
269.04669	1.4
287.09225	5.4
302.15408	2.7
311.12842	1.0
315.12494	0.8
316.51376	0.8
317.14255	0.9
317.17496	4.6
328.13202	4.4
329.14023	4.2
332.12888	1.0
343.15466	6.2
345.12952	1.2
346.14407	1.2
347.15042	8.3
361.13000	4.7
361.16748	4.5
361.29474	1.5
475.17615	1.0
479.19315	2.7
508.19647	3.1
517.65149	0.9
523.22003	100.0
523.34955	4.4
524.22205	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	523.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.9
57.03458	5.6
59.01385	32.4
61.98828	6.1
69.03461	0.9
69.55611	1.6
69.55975	2.9
71.01391	28.9
72.99320	1.7
73.02956	14.9
74.02460	0.8
75.00858	1.8
83.01375	7.0
85.02458	1.4
85.02954	16.7
86.00114	1.2
87.00882	3.3
89.02460	10.2
95.01399	2.0
97.03003	1.4
98.22659	1.6
99.00900	5.2
99.04488	1.3
101.01804	1.3
101.02454	26.3
111.00883	1.9
113.02469	9.9
117.03445	0.8
119.03529	2.2
119.05033	1.0
121.03000	4.7
122.03793	0.9
125.02434	0.9
129.68248	0.9
131.03508	1.2
135.04538	3.3
143.03531	1.0
145.02963	1.6
149.04533	1.8
159.02969	2.4
161.04536	3.3
161.77885	0.7
164.04739	1.7
165.05739	0.9
166.06367	39.2
166.24095	0.9
167.07169	4.1
175.89830	0.9
177.01950	1.6
179.03632	1.3
179.07126	5.5
181.08720	48.0
182.09044	1.6
191.05611	1.9
241.05083	2.0
256.07581	1.2
269.04617	1.7
271.09744	3.0
285.03979	1.6
290.32956	0.9
343.13995	100.0
344.14288	4.2
357.15503	1.2
361.16461	1.0
361.29501	2.5
463.21933	1.2
477.23434	3.6
523.15125	2.1
523.21863	53.9
523.34387	13.9
524.22180	3.9
524.34552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01874	2.6
57.03450	2.5
59.01385	34.3
66.17619	1.5
71.01387	22.9
72.99299	2.2
73.02940	6.1
83.01385	6.2
85.02957	9.9
89.02436	10.7
93.03482	2.6
95.01408	1.7
98.22639	2.1
99.00869	3.2
101.02441	16.8
109.02942	6.0
113.02481	7.3
117.03482	1.9
119.03544	3.6
121.02962	13.4
122.03754	14.9
135.04544	4.0
136.05287	1.7
145.02956	5.0
147.04512	6.3
155.10760	5.3
161.04585	4.1
161.06064	3.7
165.05573	22.6
179.07111	7.8
199.09723	4.3
237.98457	1.4
285.04053	5.2
293.46921	1.5
313.14334	2.1
316.13010	1.4
343.15710	3.4
346.14404	7.8
361.16577	86.0
362.16934	4.0
369.09375	1.6
463.21939	11.9
523.21869	100.0
524.22015	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	523.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86311	0.5
55.01893	2.4
56.84012	0.6
57.03459	1.7
59.01385	20.7
61.50463	0.5
61.98830	3.8
69.03465	1.5
69.24944	0.5
71.01388	28.4
71.05048	0.5
72.99292	0.7
73.02951	13.0
75.00878	0.8
83.01392	4.3
83.05081	0.6
85.02958	12.4
87.00911	2.3
87.04547	0.7
89.02456	11.8
93.03469	1.2
95.01398	1.9
97.02979	2.2
97.88284	0.5
99.00880	6.9
99.04547	0.7
101.02452	20.8
101.03105	1.1
102.78835	0.5
106.51887	0.6
108.02207	0.9
109.02952	4.4
111.00909	1.1
113.02457	10.1
113.03169	0.8
115.04046	2.4
116.04924	0.6
119.03516	0.8
121.02961	11.9
122.03751	14.2
123.04580	1.2
125.02462	3.4
129.03497	1.2
131.03487	2.9
134.03822	0.6
135.04539	1.0
136.05328	2.0
137.02473	0.7
137.09752	2.4
143.03505	1.4
147.04514	5.9
148.05322	0.8
149.04604	3.5
149.06125	0.7
155.10791	24.7
159.03017	1.8
160.04074	11.6
160.05354	1.0
161.04599	10.6
161.06107	1.8
162.06950	0.7
165.05588	22.6
165.37944	0.5
166.05954	0.7
175.07672	0.5
178.06447	0.8
179.07141	7.5
179.08556	0.8
183.10396	0.7
183.25757	0.6
191.05685	1.9
199.09776	23.6
209.08144	0.9
218.04509	0.9
223.09792	0.9
229.18030	1.6
233.06734	4.7
293.08813	3.5
298.12109	0.8
302.47510	0.5
313.14120	1.1
315.12442	2.3
316.13049	0.7
329.14127	0.5
331.17944	0.7
346.14200	9.0
350.51926	0.5
361.16592	100.0
362.16864	5.3
391.23389	15.9
391.27954	1.3
392.23685	0.9
463.21762	6.5
523.27643	49.6
524.27905	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	523.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49094	4.3
60.99316	8.6
70.84778	7.0
78.95908	54.3
85.54609	4.5
88.98815	50.1
96.96944	7.2
108.21085	4.4
150.98128	5.5
152.99606	100.0
171.00655	5.6
248.29147	4.3
433.23721	32.3
505.33835	5.6
529.41962	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	523.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.0
57.03443	3.1
59.01384	58.8
69.91553	5.0
71.01389	43.7
73.02958	11.3
83.01415	5.1
85.02966	15.6
89.02451	20.6
91.15076	1.9
95.01404	1.9
97.02950	3.2
99.00906	4.0
101.02460	23.1
106.61759	1.8
111.00893	2.3
112.22548	1.9
113.02464	13.5
117.03455	1.9
125.02495	3.0
131.03513	11.8
142.61722	1.5
145.02974	5.6
149.04572	2.8
161.04590	12.4
227.16393	2.1
285.04001	8.6
331.17642	13.3
348.44482	1.8
361.16312	3.6
369.08951	5.7
463.21887	100.0
464.22177	6.2
523.21960	5.1
525.31415	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	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.6
57.03449	2.2
58.44031	1.1
59.01084	2.0
59.01386	41.0
69.03453	1.0
71.01389	39.9
73.02953	10.7
83.01361	5.3
85.02960	13.5
87.00890	2.2
87.04528	1.2
89.02459	20.4
95.01411	1.5
96.39487	1.0
97.02954	2.9
99.00838	2.3
101.02457	26.0
108.02162	1.3
111.00894	3.8
113.02450	11.4
113.69347	1.0
119.03495	1.3
125.02468	3.7
129.02025	1.0
131.03503	10.0
143.03540	1.3
149.04558	4.4
159.03026	2.0
161.04597	10.9
191.05731	1.4
199.98213	1.0
233.06674	3.0
319.24524	1.2
331.17688	14.3
463.21893	100.0
464.22186	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	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14137	3.0
50.88702	2.8
55.01884	4.3
57.03448	3.5
59.01385	44.9
61.98840	16.0
69.52290	8.1
69.52679	6.1
71.01385	50.2
73.02947	23.4
75.26676	2.7
83.01395	8.5
85.02972	22.5
87.00885	6.1
89.02464	16.3
95.01389	5.5
99.00893	10.1
101.02457	46.0
109.03001	3.9
113.02466	21.3
119.03504	4.7
120.78012	2.9
125.02451	6.1
131.03526	5.7
133.02965	4.3
134.03726	4.0
135.04535	7.9
137.02425	3.8
137.09706	6.5
142.36414	2.9
148.04027	6.8
149.04544	3.4
150.03236	4.5
154.38338	3.0
155.10780	21.1
159.02997	3.5
161.04564	20.8
166.06291	2.7
191.05655	8.8
199.09775	21.5
229.18054	2.9
241.11015	3.5
299.14038	2.8
331.17676	15.9
372.54752	2.8
391.23499	6.1
398.95325	2.8
463.21902	100.0
464.22192	6.4
523.21375	6.4
523.27966	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01485	24.1
57.05335	22.7
61.98841	34.6
69.17101	100.0
69.17509	48.8
90.03196	25.6
161.95833	32.6
323.68900	22.8
336.67682	29.7
347.15231	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	523.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30001	13.3
51.59755	12.3
51.59998	11.8
52.90294	12.3
60.71591	12.7
64.25829	13.8
66.31881	12.1
69.19508	100.0
71.43862	13.8
88.38549	14.6
90.05739	14.2
90.29944	14.7
98.22617	27.6
120.04418	16.2
122.15810	13.7
125.09824	13.6
170.88292	18.0
273.31128	13.0
307.15854	13.1
316.94391	14.6
327.53818	12.5
353.41907	12.4
454.92737	15.1
462.40720	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	523.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.8
70.55810	2.8
73.35928	1.1
82.43826	1.1
121.02968	1.4
133.02968	20.6
134.03751	12.1
135.04536	42.3
137.02441	3.8
139.04037	1.2
149.22694	1.2
161.02463	87.3
162.02795	1.4
162.83954	3.8
164.83589	1.9
178.02692	2.1
179.03508	23.1
191.02678	1.2
202.11023	1.3
243.06372	1.1
287.22195	6.2
340.99191	1.2
372.69653	1.1
431.24408	34.0
432.24112	2.3
449.25470	14.4
523.29163	100.0
524.29596	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	523.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
70.86172	0.9
70.86510	1.1
84.17820	0.8
88.91140	1.0
110.53062	0.7
110.66141	0.8
117.03484	1.6
121.03008	0.8
133.02972	23.8
134.03766	13.9
135.04543	46.3
136.04935	1.0
137.02469	4.7
139.04050	1.6
161.02467	91.6
162.02882	1.7
178.02698	2.3
179.03528	19.5
195.68651	0.8
235.06146	0.9
236.77058	0.9
267.46710	0.8
287.22354	6.7
431.24423	33.3
432.24863	2.1
449.25473	19.1
523.29150	100.0
524.29590	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.4
59.01383	20.9
61.98834	5.5
70.94460	2.0
71.01391	25.5
72.99318	2.5
73.02950	5.6
75.00889	1.9
83.01418	3.6
85.02971	8.4
87.00888	2.0
89.02454	5.9
99.00929	1.8
101.02445	10.5
113.02467	7.5
113.84921	1.5
119.03574	2.1
124.01695	1.6
125.02470	2.9
125.50275	1.1
137.85324	1.1
161.04585	1.3
257.04706	1.6
269.21225	5.6
285.04062	2.9
287.22293	40.1
288.22745	1.5
300.06390	4.0
301.23981	2.3
315.08679	7.9
345.09836	2.8
361.29565	2.9
431.26514	69.5
432.26740	2.6
449.27597	100.0
450.27863	5.1
523.21960	2.0
523.35297	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	523.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.2
56.29435	0.6
57.03207	0.4
57.03459	4.3
58.00590	0.7
59.01384	37.4
61.98845	2.8
69.03467	0.7
69.31615	2.0
71.01390	33.5
72.99336	1.1
73.02950	10.7
75.00859	0.9
81.03471	0.4
82.95383	0.4
83.01392	6.7
83.05029	0.7
84.02174	0.4
85.02959	14.4
87.00903	2.7
89.02454	10.7
95.01384	2.5
97.02966	1.0
98.26563	0.4
99.00896	3.4
99.04533	0.5
101.02454	25.6
103.03999	0.4
111.00867	2.4
113.02457	13.1
115.92022	0.4
119.03519	5.0
125.02466	1.6
129.02003	0.9
131.03564	0.9
135.04527	1.1
143.03487	1.7
143.10786	2.2
149.04527	0.7
153.12885	1.1
155.02675	1.3
155.10745	0.5
159.02982	2.5
159.10291	0.8
161.04582	5.9
169.12253	0.4
171.14012	0.5
175.02733	0.6
179.03490	1.0
179.05702	0.6
183.13867	0.7
201.15050	0.5
215.35129	0.4
229.18289	0.5
257.21280	0.7
259.19107	0.4
277.62015	0.4
307.10266	0.7
315.25201	0.5
343.28546	0.9
359.28162	0.8
361.29636	22.5
362.30035	1.2
391.23053	0.7
478.09985	0.4
505.33554	0.6
523.34924	100.0
524.35370	8.5
539.10199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17719	0.3
55.01883	2.9
57.03458	3.5
59.01387	20.4
60.81018	0.3
61.43478	0.3
61.98840	1.7
69.03464	0.9
70.75191	0.6
71.01386	21.6
71.05020	0.5
72.99292	0.6
73.02953	10.5
75.00879	0.7
83.01393	5.7
85.02955	13.5
86.00113	0.6
87.00903	1.9
87.04538	1.0
89.02451	4.3
94.67696	0.4
95.01405	2.0
97.02968	0.9
97.06613	0.5
99.00893	3.4
99.08217	0.4
101.02454	18.8
109.02973	0.3
111.00898	4.6
113.02455	7.9
113.03638	0.4
119.03519	1.3
123.08211	0.7
125.02472	0.4
129.01958	1.0
135.04532	3.8
139.11279	0.4
141.01962	0.5
141.12842	0.8
143.03453	0.6
143.10815	1.0
153.09196	0.5
153.12852	0.5
155.10739	0.4
159.03012	2.4
161.02443	0.7
161.04550	2.7
169.12328	0.6
171.13921	1.0
179.03516	4.1
179.05031	0.5
187.13446	0.6
189.39206	0.3
191.05630	0.3
194.40060	0.4
199.09808	0.4
200.14220	0.4
201.14995	1.2
271.22797	1.1
293.09204	0.3
315.25424	2.3
323.25952	0.4
329.27261	0.5
341.26764	0.5
359.27960	1.7
361.29614	15.6
361.34201	0.8
362.29919	1.1
365.37491	0.3
477.30969	0.4
505.33563	0.6
523.34937	100.0
524.35162	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	524.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23912	2.9
57.03427	3.1
59.01385	21.2
61.98835	100.0
66.63868	3.3
71.01389	12.9
73.02933	4.1
83.46848	3.5
85.02943	5.6
89.02445	6.9
98.22642	6.0
100.81634	3.3
101.02441	13.9
113.02472	6.0
117.03458	3.1
143.03435	3.9
145.02986	3.5
177.01921	3.4
201.99867	2.9
271.09738	8.2
272.10141	4.7
285.04105	4.4
288.99020	3.1
330.14069	3.1
374.82178	2.9
461.10968	4.8
523.27606	4.2
523.34802	12.0
523.64801	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	524.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97530	0.3
54.38489	0.3
59.01376	1.9
61.98836	100.0
69.45709	1.2
69.46096	0.6
71.01392	0.9
85.02959	0.4
89.02483	1.0
93.03475	0.7
98.02496	0.7
101.02503	0.6
101.12956	0.3
115.04092	0.7
137.02478	1.0
138.02795	0.7
152.03580	0.7
179.05713	0.5
196.02544	1.9
210.99393	0.3
212.44957	0.4
214.03815	0.6
328.87997	0.5
377.85040	0.4
446.05087	0.4
506.10278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39853	0.5
52.63934	0.6
53.57446	0.5
59.01386	0.7
61.98836	100.0
71.17654	0.9
82.73081	0.5
93.03482	0.6
109.21372	0.5
111.31837	0.6
123.04564	0.7
145.41304	0.5
153.05634	1.9
162.83945	2.0
163.04027	0.7
238.13422	0.5
341.48013	0.6
344.52939	0.6
479.28992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.0
61.98822	5.5
66.21945	3.7
68.28928	4.3
70.70359	4.0
70.70679	5.0
71.01385	10.4
71.05026	14.8
83.01402	6.6
88.04050	79.6
96.95996	6.5
99.47401	3.8
103.05548	4.5
125.02468	14.6
146.08258	40.0
146.11575	3.5
151.00381	8.1
153.01956	54.1
164.08733	4.4
201.72549	3.4
218.10358	100.0
305.06613	15.7
329.99258	4.1
350.78253	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	524.199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.13898	1.5
70.02532	0.2
105.03325	0.2
119.89098	0.3
192.86349	0.3
275.86868	0.3
432.28268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68818	0.2
59.01368	0.3
61.98836	100.0
69.19703	1.4
83.09167	0.2
96.18694	0.2
98.22676	0.5
117.42472	0.2
123.67879	0.2
155.03142	0.2
190.05170	0.8
210.98376	0.3
327.21921	0.9
397.45184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22022	0.3
59.01383	0.5
61.98837	100.0
64.02368	0.4
64.99306	0.3
69.03065	0.3
71.01397	0.3
102.34404	0.3
135.04564	1.9
136.04854	0.9
179.03583	1.1
180.03940	0.4
190.05109	0.4
212.24113	0.3
243.06592	0.6
520.15131	0.4
525.02362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.7
61.98836	100.0
67.58691	0.4
69.25892	2.0
69.26285	1.0
69.47708	0.6
77.18245	0.5
81.17393	0.5
92.91542	0.5
141.01653	0.8
160.50615	0.5
163.21606	0.5
169.25380	0.5
203.55096	0.5
220.45020	0.7
351.85928	0.7
359.95801	0.6
547.13306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.6
59.01382	44.7
66.08080	0.8
69.03463	1.0
69.17469	5.6
71.01388	23.4
71.05027	35.2
71.05426	1.7
73.06599	2.1
81.03483	2.1
83.62802	0.9
85.02966	2.8
87.00893	1.7
89.02451	39.2
95.01397	2.1
95.54070	0.9
96.08579	0.8
99.04523	13.6
101.02461	11.3
113.02469	11.0
115.04021	9.8
116.92912	4.1
117.05589	100.0
118.05963	0.9
119.03522	16.7
131.03539	3.7
143.03490	4.7
149.04532	2.0
161.04587	6.6
164.36105	1.0
179.05620	37.6
180.05983	1.1
195.62997	1.0
293.08734	6.9
411.21423	0.9
437.95007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84679	0.7
55.55656	0.6
57.07420	0.6
58.17745	0.7
59.01368	0.8
61.98820	1.1
69.17938	4.3
104.60048	0.7
107.05036	0.8
118.82489	0.8
119.59213	0.7
121.70496	0.7
141.26727	0.6
151.07594	0.7
161.02362	0.8
171.08144	2.1
179.24942	0.7
187.07669	1.5
190.02855	1.6
190.94539	0.7
199.07701	4.6
215.07156	1.9
229.04956	0.7
240.15033	0.7
243.06619	55.2
244.07306	3.4
248.04330	0.6
257.08273	0.8
266.63037	0.7
311.39279	0.7
312.13699	30.8
313.14294	2.4
327.16025	100.0
328.16336	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	525.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.2
61.51546	0.8
61.98843	1.8
69.09071	1.8
69.09483	3.6
71.01392	1.3
89.02470	1.1
93.03476	0.9
101.02449	1.5
111.04452	1.0
120.01263	4.6
121.01651	1.3
121.02952	6.2
122.03761	14.7
123.04536	0.9
134.03752	19.3
135.04541	9.2
137.02518	1.0
146.03763	17.1
147.04425	1.4
149.06094	26.0
150.03238	8.0
161.04791	1.2
161.06085	9.2
162.03223	1.6
164.04810	10.2
165.05580	33.6
166.06360	12.2
167.07146	100.0
168.07449	2.5
177.05547	1.4
179.07150	57.4
180.07495	1.6
193.08669	1.8
195.06630	2.1
217.35339	0.8
221.08208	9.8
239.09254	2.2
315.12399	21.0
316.12802	1.3
327.12292	6.7
329.12286	1.4
345.13422	6.6
363.14453	9.0
489.19955	3.7
525.17346	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.1
61.98804	1.5
69.32903	4.5
71.01391	4.0
73.02953	1.1
85.02972	1.5
89.02496	2.5
93.03474	2.1
101.02448	2.4
107.05032	1.3
108.02228	1.1
121.02936	6.3
122.03755	12.3
122.76722	0.9
123.04507	2.8
127.56097	1.0
133.03000	2.0
134.03751	28.8
135.04549	11.8
137.02466	1.1
146.03767	15.9
147.04515	1.9
149.06090	40.6
150.03235	6.9
150.06375	1.3
151.03970	2.3
161.06084	10.0
162.03270	2.7
164.04822	10.0
165.05585	30.8
166.06375	11.8
167.07147	100.0
167.22356	1.0
168.07484	3.7
175.02634	1.0
177.05582	3.7
177.59937	1.0
179.07152	53.6
179.08745	2.6
183.06720	1.1
189.05695	1.3
190.05145	5.7
191.05643	3.0
197.04617	1.2
221.08189	10.9
239.09395	2.0
315.12430	30.1
315.16110	1.8
316.12561	1.4
327.12427	6.8
329.12408	2.7
341.48224	0.9
345.13391	9.3
352.10416	1.8
363.14499	9.9
465.07428	1.8
465.19934	2.0
477.17661	1.1
489.19778	3.0
525.17102	5.4
525.29517	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	525.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82761	0.9
55.87378	0.9
59.01387	5.1
61.98830	12.8
69.53077	3.0
69.53488	1.6
71.01377	3.1
72.99302	0.9
73.02961	1.2
74.91131	0.9
78.21961	0.8
85.02948	1.2
88.98827	1.0
89.02433	1.5
96.01200	0.9
101.02455	1.7
108.02180	3.3
109.02959	14.8
113.02446	1.1
121.02985	1.7
123.00909	1.4
124.01689	1.6
125.02420	1.6
132.92143	1.0
133.02988	1.6
134.03772	1.9
135.04520	5.2
136.01657	8.9
137.02455	51.3
138.03229	2.2
149.02444	9.9
149.06078	3.0
150.03275	1.8
150.06291	0.8
151.04018	1.2
152.01106	4.4
159.04616	1.1
161.02454	6.3
163.03999	2.0
165.01955	6.0
166.02737	2.0
167.03529	2.1
175.04091	1.3
176.04666	1.6
177.01958	6.1
177.05577	20.7
179.03519	5.2
181.05043	1.4
185.06172	1.3
191.03546	2.6
191.07175	1.8
193.01530	1.1
193.05103	1.4
197.11731	0.9
203.03581	1.6
205.05048	5.0
215.07132	3.6
217.05203	1.3
217.08682	6.6
218.02173	1.2
218.09538	1.6
219.06660	1.7
220.07431	1.0
228.84964	1.0
243.06477	1.3
245.08212	9.1
248.84949	0.9
257.08258	0.9
258.65204	0.9
275.12885	8.6
276.13684	100.0
277.14111	3.5
287.12781	1.4
291.16052	71.3
292.16412	4.0
303.12518	4.9
304.13217	16.6
319.15533	51.5
319.19348	2.2
320.15729	2.8
324.45029	1.0
345.14279	1.1
361.16483	2.5
363.14026	4.5
363.18088	3.7
438.19025	3.0
466.18439	3.8
481.20776	2.2
491.54709	1.2
493.14536	1.1
525.19800	33.7
526.20288	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	525.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75384	3.3
59.01387	13.4
61.98843	25.4
68.61045	3.8
69.14544	20.7
69.14948	7.6
71.01408	10.3
85.02987	4.6
87.96706	3.4
89.02425	5.3
101.02467	5.9
113.02470	6.1
114.22747	4.0
161.04637	5.8
162.98753	3.4
167.59932	3.9
171.13959	7.8
173.05205	3.7
177.01962	32.8
183.13962	9.0
185.27361	3.9
191.55318	3.6
195.14009	10.1
197.02182	4.9
213.14980	100.0
214.15269	4.6
311.05417	9.4
327.21738	16.2
330.28162	3.9
428.12939	5.4
483.86984	3.8
485.86737	3.8
511.35309	4.2
525.21228	23.5
547.34338	4.7
550.50934	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	525.248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.8
58.93729	1.1
59.01382	20.8
61.98835	19.3
69.03446	1.2
71.01387	17.2
71.72540	1.1
73.02955	5.8
78.95915	2.8
82.89243	1.2
83.01403	3.3
85.02964	11.7
87.00930	1.4
89.02466	6.8
97.02959	2.6
99.00906	3.3
101.02458	15.9
113.02475	6.4
119.03516	1.8
125.02462	2.6
135.04523	1.9
136.02455	1.2
148.05258	1.5
152.54758	1.3
155.10953	1.2
159.02965	1.8
161.04539	6.2
171.10304	2.8
205.59419	1.5
211.13423	8.2
219.06613	1.6
221.11923	1.3
222.05611	1.6
229.14418	8.9
239.12962	1.8
245.65285	1.2
250.05247	1.5
261.10468	1.5
291.19659	1.9
309.20465	1.9
321.06601	2.4
327.21780	100.0
328.22189	4.9
363.23972	16.1
439.08392	1.9
525.29913	8.2
525.35742	2.2
526.30475	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	525.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58736	0.6
55.01874	1.2
57.03456	8.0
59.01386	15.1
59.56360	0.5
61.98832	4.7
69.03500	0.6
69.31191	2.9
71.01386	17.6
72.01704	0.7
73.02951	7.2
75.00875	1.0
83.01400	2.4
85.02961	7.2
85.06599	1.9
87.00874	1.5
87.04517	10.0
89.02454	7.0
93.03461	1.3
97.02938	1.4
99.00893	5.0
101.02453	11.7
103.04021	100.0
104.04370	1.1
109.02953	0.7
111.00918	0.9
113.02448	5.6
115.04018	1.5
117.12499	0.6
119.03505	0.8
122.99304	0.7
123.04530	1.0
125.02465	1.6
131.03491	1.5
133.02960	1.1
134.03746	0.9
135.04530	2.0
137.02461	1.2
143.03470	0.9
145.12370	0.9
147.04549	0.7
149.00955	0.7
149.02332	0.7
149.04489	1.0
150.03166	1.6
159.03014	1.9
160.05362	0.9
161.02423	1.2
161.04594	4.7
165.05565	1.2
173.04561	1.0
176.16890	0.6
177.01944	0.9
179.03517	1.3
181.08678	0.5
187.11324	0.8
191.05659	1.4
231.10287	1.7
233.06659	1.5
293.08749	1.1
305.16016	1.7
307.17624	3.1
343.19934	0.6
363.23569	0.9
372.01465	0.6
437.20306	11.6
437.26245	0.5
439.21890	16.2
440.22446	1.2
477.19141	1.8
510.71811	0.6
525.25043	3.0
525.35919	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01127	1.5
59.01379	8.2
71.01379	2.0
71.41734	1.7
86.58779	1.4
90.97163	1.7
118.96644	2.1
124.19328	1.3
132.98167	7.4
165.12860	1.9
166.37952	1.5
174.99252	37.2
183.13847	7.3
183.35797	1.5
186.99129	2.0
195.13858	2.9
209.20375	1.4
209.83124	1.7
213.15057	2.8
215.02496	1.5
243.05479	1.9
255.09161	3.4
257.10776	4.4
265.07364	1.7
267.09128	3.1
269.10654	4.6
283.08823	2.9
295.08456	1.8
297.10175	13.1
299.11813	40.3
309.10147	2.2
311.11786	85.4
312.12100	3.3
316.37949	1.6
407.21176	1.9
421.22797	10.1
423.24265	12.7
433.22736	7.5
435.24173	14.7
447.24283	8.3
451.39902	1.9
463.24023	3.0
465.25378	100.0
466.25546	5.7
518.90759	2.0
542.40576	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	525.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08716	72.5
61.19818	85.9
62.54113	76.3
65.23838	79.2
84.26806	89.3
158.87355	71.9
177.10466	71.6
316.64703	79.2
474.75836	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	525.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32371	82.0
59.01404	90.5
64.78808	88.2
87.52747	80.8
97.59309	74.9
99.13349	83.3
107.84761	77.0
115.76644	80.7
134.15814	88.8
141.09090	85.4
200.87018	84.5
208.56529	80.7
272.59573	78.8
275.89948	95.5
357.59344	89.3
407.99634	100.0
412.64844	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47976	13.5
53.76767	15.5
62.29526	14.8
63.64951	12.2
68.10248	14.6
68.59520	16.8
69.18416	100.0
86.54252	16.3
88.61819	16.4
121.50925	17.1
160.56160	16.6
200.12764	15.5
292.74957	15.5
451.47665	22.8
525.38062	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	526.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88905	0.2
52.73937	0.2
59.01384	0.7
61.98838	100.0
69.17255	0.5
69.17673	0.9
71.01392	0.4
89.02454	0.2
102.09048	0.2
135.00046	0.2
135.04599	0.4
161.02641	0.2
189.62181	0.2
265.05280	0.7
267.06635	0.2
285.03979	0.3
309.04248	0.5
347.62747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43991	0.4
59.01375	1.5
61.98836	100.0
69.26474	1.9
71.01397	0.9
77.15791	0.3
89.02466	0.8
101.02480	0.6
113.02481	0.4
135.04601	0.5
149.02548	0.4
181.08691	0.4
285.04178	0.8
291.93976	0.4
456.32074	0.4
465.22568	0.8
466.22739	2.1
526.23083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
61.98836	100.0
66.14468	0.5
66.25539	0.5
69.78035	1.8
71.01384	2.3
72.99308	0.9
73.02965	1.0
83.01410	0.7
85.03003	0.5
87.00877	0.5
89.02460	0.9
101.02448	1.0
113.02459	0.8
135.04532	0.5
136.01752	0.5
147.03329	0.5
151.00455	0.6
167.03534	0.6
191.05640	1.2
192.58727	0.6
211.04039	0.9
221.06143	1.1
225.05577	2.0
226.05977	1.0
227.03542	1.0
239.07237	0.7
248.62968	0.5
250.06042	0.5
255.03040	1.5
256.03372	0.9
265.05060	0.6
267.06686	2.1
268.07095	0.8
283.02640	2.0
284.03186	1.1
285.04056	8.9
286.04352	4.3
379.23425	0.6
380.24069	1.2
393.21191	0.4
420.65088	0.5
421.10446	0.8
421.60699	1.6
424.72665	0.5
430.10751	1.0
430.61044	1.9
431.10358	0.6
526.29474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15404	77.2
63.27839	81.5
67.29337	76.7
71.18427	100.0
85.93689	86.1
98.21966	81.6
99.01024	98.7
110.94817	86.0
135.07051	86.1
160.01733	80.2
347.44839	90.2
530.53082	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82395	6.5
61.98835	9.3
68.63049	5.7
69.18266	43.0
74.43095	6.1
78.95916	29.5
98.21899	15.8
98.44617	6.5
125.95852	6.6
131.03810	6.4
154.89909	9.8
157.40500	6.8
196.03790	8.6
245.49730	7.4
252.84253	6.1
255.23337	100.0
277.21692	20.5
349.91772	6.8
452.28003	54.7
453.56281	7.6
522.75726	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	527.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20769	1.5
57.03452	37.4
57.64203	1.8
58.88521	1.6
59.01387	8.3
61.98835	3.5
64.34624	1.5
71.01376	3.4
75.95381	2.2
81.03464	2.5
88.98812	1.5
89.02466	3.3
99.04530	26.8
101.02457	9.2
109.02982	1.7
123.04532	4.7
125.02460	24.8
135.04549	3.1
135.06386	1.8
137.02434	4.4
138.03192	1.8
149.02313	1.5
150.03214	7.1
151.04039	12.7
151.07645	1.9
152.04738	4.6
152.07085	1.9
160.04037	3.3
161.02452	3.0
163.00380	7.3
163.03996	10.2
164.04845	3.3
165.05602	2.8
177.05571	3.8
178.06358	3.1
179.07137	11.4
179.10655	2.1
180.04230	2.1
189.09175	1.8
190.99878	100.0
191.07147	8.1
192.00598	12.9
192.07938	6.4
195.06642	5.0
205.08717	13.3
206.02220	60.6
206.09499	18.5
207.02936	14.0
207.10271	3.7
221.04561	88.3
221.11940	2.7
222.04993	4.2
235.09726	2.8
251.09262	3.3
279.08588	1.7
288.13510	1.7
293.14017	2.2
300.13916	1.8
303.15985	2.9
305.14026	9.9
306.14749	28.4
320.16235	4.5
321.13602	2.6
321.17068	28.1
351.06845	1.9
364.15192	18.4
365.16080	23.3
465.17355	1.8
527.14227	3.6
527.21436	40.6
528.21979	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	527.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78569	3.0
56.97989	2.8
59.01389	15.8
61.98829	6.7
69.87579	6.7
69.87936	7.7
71.01375	10.1
73.02960	7.2
82.10271	2.7
85.02939	3.5
89.02454	11.0
98.22623	3.4
101.02444	9.3
105.83273	2.9
118.38591	2.9
122.51578	3.9
125.02459	8.9
131.03659	4.3
137.06183	3.7
146.37741	3.0
153.09282	3.1
156.72533	2.9
161.04568	3.7
179.22032	3.0
190.02657	9.7
191.27969	3.3
196.60910	3.0
202.67470	3.7
229.04980	3.0
230.05867	4.8
233.08340	3.6
233.15523	15.7
243.06546	5.8
244.07370	3.3
293.08752	9.6
299.92740	3.2
327.21588	4.2
329.13953	100.0
330.14102	5.5
359.21100	3.4
452.77151	4.1
491.19324	7.9
527.24750	21.6
527.35803	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	527.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60630	0.8
55.66440	0.8
59.01370	2.4
61.98829	1.9
69.68940	2.9
71.01369	2.2
78.91902	1.5
85.06600	5.8
89.02449	2.1
95.05051	1.3
96.53506	0.8
98.22566	1.8
100.39400	0.8
101.02489	0.9
106.04259	0.8
113.02463	0.8
113.06097	26.0
115.04035	5.0
121.02990	1.0
133.02986	6.3
134.03754	70.0
135.04184	0.9
137.02501	4.3
139.04027	6.9
149.04816	1.3
149.06090	15.8
150.06529	1.0
157.05055	3.5
177.01947	1.5
178.02730	38.8
179.03172	1.5
192.04289	17.9
193.05070	100.0
194.05421	2.8
207.06635	30.1
219.03015	4.4
221.48888	0.9
264.27194	0.9
269.50705	0.8
337.09280	2.2
350.89337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24415	1.5
59.01381	11.0
61.98833	15.3
69.81794	1.4
71.01376	6.0
83.01429	1.6
85.02953	2.0
85.06615	8.4
87.00877	2.2
87.08475	1.6
89.02437	4.9
95.05037	1.8
96.96002	3.9
98.22733	2.1
101.02469	3.3
108.02155	1.7
109.02969	1.5
113.02444	2.7
113.06104	31.3
115.04011	5.1
123.04530	2.1
127.04045	1.8
128.62120	1.6
133.02946	5.1
134.03758	55.1
135.04459	2.0
137.02455	7.2
139.04021	8.2
149.02426	1.9
149.04778	1.8
149.06097	20.4
150.03198	2.7
151.04001	3.5
152.04805	3.0
157.05048	5.5
161.02449	3.1
165.05600	1.9
177.01889	2.3
178.02744	30.7
179.03403	1.9
192.04294	27.3
193.05070	100.0
194.05392	2.5
201.11250	3.7
207.06647	40.6
217.15912	2.3
234.28830	1.6
256.85464	1.8
261.18616	3.8
269.04413	2.4
305.14105	1.8
306.14709	5.8
321.17014	4.1
329.13663	2.5
337.09360	6.2
365.15771	3.3
365.19720	2.6
397.11414	2.3
421.14645	1.7
485.34583	3.2
509.27609	2.0
527.20984	5.6
527.35876	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	59.4
61.98821	4.6
70.26195	1.7
70.26556	1.7
71.01389	26.2
73.02946	1.2
81.23193	0.9
83.01363	1.8
83.05546	0.9
85.02962	6.3
87.00904	1.5
89.02450	37.7
93.03458	0.9
95.01367	1.1
101.02448	16.1
109.02976	0.9
113.02464	11.9
119.03517	17.7
131.03539	1.7
133.02986	1.4
133.09396	0.9
134.03743	1.1
135.04518	3.9
137.02458	0.9
143.03510	2.2
149.04553	1.5
161.02448	1.0
161.04573	2.4
179.03566	1.5
179.05608	12.2
179.07132	2.1
185.06104	1.0
191.05640	0.9
203.07182	3.7
249.44669	0.8
275.20169	1.0
285.04123	1.1
285.18582	1.0
321.20615	6.0
347.18640	27.4
348.18979	2.1
365.19696	100.0
366.20010	4.9
407.20779	7.5
527.25024	97.2
528.25568	4.8
534.24298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2501
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
56.89585	0.7
57.03466	1.0
58.00586	0.8
59.01387	53.8
59.08443	0.9
61.45865	0.8
61.98848	5.5
63.07762	0.8
70.23199	2.2
71.01390	26.1
72.99313	1.1
73.02947	1.5
78.95893	0.9
83.01382	1.4
85.02961	5.7
87.00871	2.0
89.02456	32.3
95.01358	2.1
96.96018	0.9
101.02456	18.4
113.02467	10.6
119.03517	14.0
131.03531	2.1
131.10298	0.8
135.04552	5.2
143.03502	2.7
161.04568	3.1
179.03499	1.8
179.05621	12.5
193.05048	1.2
203.07227	2.8
283.02271	0.9
285.03967	1.8
285.18631	1.5
321.20779	5.9
347.18695	31.9
348.19095	1.3
365.19714	100.0
366.20120	5.2
407.20782	7.1
527.25037	94.8
528.25586	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	527.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44310	1.6
57.03453	2.7
59.01384	61.1
61.98840	22.2
71.01021	3.3
71.01392	42.8
73.02960	10.4
81.87137	1.7
83.01392	6.8
85.02953	16.5
87.00875	3.8
89.02451	17.9
93.03497	3.1
95.01400	2.6
99.00865	2.8
101.02442	31.6
111.00912	4.9
113.02457	14.6
131.03545	9.3
135.04530	5.2
143.03513	1.9
144.98201	1.8
149.04578	6.4
149.46655	1.9
161.02481	4.3
161.04529	8.0
177.02032	2.0
179.03497	3.1
191.05602	2.5
233.06664	3.9
265.05151	2.6
309.04199	2.7
335.20786	46.5
336.21042	2.3
365.20511	2.1
467.24969	100.0
468.25403	5.5
532.33014	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	527.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	1.1
61.98810	1.5
64.90833	1.2
80.02687	1.1
92.22475	1.1
98.79316	1.2
108.80643	1.1
126.75355	1.0
130.70728	1.1
137.09666	1.2
170.18105	1.1
207.96413	1.0
250.83006	1.1
407.33191	7.4
439.32288	3.9
469.33246	75.9
470.33420	3.4
497.28201	1.8
527.29071	100.0
528.29156	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	527.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82670	1.4
61.98816	1.5
78.95892	1.9
94.92463	1.6
109.41380	1.6
110.18915	1.9
237.47766	1.9
277.21753	14.9
324.53613	1.7
379.30136	2.8
395.29407	4.7
407.33154	3.1
423.32828	8.8
425.34198	3.0
445.23453	3.7
469.33234	78.2
470.33459	6.3
527.29095	100.0
528.29510	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	527.3
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	65.0
62.28317	41.4
70.50507	100.0
75.53785	55.2
97.55743	55.1
108.93244	45.2
131.01447	54.5
135.09106	40.8
174.41116	44.1
174.75708	42.4
182.66931	49.3
190.53090	64.8
247.96288	57.8
337.63235	44.8
341.75266	48.3
353.93146	58.5
386.27524	51.8
415.25183	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64128	45.9
61.01188	42.9
70.03622	43.4
70.20900	57.5
70.21243	100.0
75.88029	41.6
78.95892	67.4
82.44680	42.9
85.38705	48.9
87.56599	48.2
87.59425	46.6
123.26369	45.9
147.25494	43.1
149.35455	43.5
217.51445	45.4
320.11612	61.6
386.51712	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.6
59.01377	1.4
61.98834	0.5
68.14665	0.4
70.84183	0.4
71.01371	0.6
71.93787	0.4
72.75773	0.4
101.02484	0.5
109.02975	0.6
118.54526	0.5
120.05820	0.5
123.04530	0.5
125.06070	2.2
126.74502	0.5
127.04037	1.0
135.08156	5.1
137.06091	1.4
138.06851	0.9
139.07608	0.6
151.03918	0.5
151.07631	1.2
153.09215	1.3
165.05553	0.8
170.05864	1.1
193.05107	0.6
215.74413	0.5
329.23325	6.9
333.21722	0.5
357.91586	0.5
467.33618	2.9
483.33344	1.2
485.34869	19.6
486.35120	1.2
527.35931	100.0
528.36328	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	528.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.5
61.98835	100.0
69.08131	1.9
69.08539	0.6
70.50266	0.3
71.01389	3.6
72.03169	0.4
73.02946	2.0
74.85420	0.4
83.01389	0.6
85.02966	1.8
89.02441	2.1
92.08309	0.5
98.22684	1.0
99.00916	0.8
101.02450	3.0
108.02194	0.4
109.03008	0.4
113.02502	0.9
121.29875	0.4
123.04584	0.7
125.02485	0.6
127.04053	0.6
131.03610	0.5
134.03767	1.2
135.04543	0.9
137.02481	0.5
149.04585	0.4
161.02518	0.9
161.04633	1.2
177.01915	0.8
178.02724	0.5
179.03539	0.6
189.02017	0.6
193.05119	1.7
194.05519	0.9
217.01520	0.7
233.15527	0.5
234.15895	0.7
269.04614	0.4
289.07257	0.4
290.14978	0.6
299.20883	0.4
302.27695	0.4
327.33182	0.4
329.13779	0.6
341.06760	1.1
395.20737	1.2
396.21179	1.1
397.22260	0.5
405.89716	0.4
424.42896	0.4
465.12250	1.4
527.25098	1.9
528.25995	3.8
529.26318	2.3
550.84296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87448	5.8
53.63437	5.5
61.98835	13.5
69.65450	13.2
69.65834	10.8
72.89439	4.8
76.82677	5.5
76.83179	5.4
138.20367	5.4
249.18634	100.0
253.09239	18.7
367.51782	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	528.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.9
70.80407	1.2
71.01377	2.9
73.02895	0.8
89.02449	1.9
97.03692	0.8
101.02462	2.5
107.50986	0.9
113.02380	0.9
119.03394	1.1
130.96414	0.9
150.43156	0.9
161.04501	1.3
235.08249	1.8
240.17923	0.9
249.18616	100.0
250.18936	3.7
253.09306	15.3
253.11748	1.6
328.94904	0.8
448.02057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1566
Annotation	Pikuroside
Peak:m/z	Relative Intensity
57.03449	1.7
59.01385	3.9
60.99318	3.6
66.90253	0.7
67.01894	8.7
69.03456	2.6
69.09726	1.6
69.10110	5.0
71.01389	5.3
72.92696	0.7
72.99297	1.2
73.02964	1.0
81.03464	2.0
83.05051	1.3
83.74384	0.8
85.02969	6.7
85.06553	0.9
87.00877	13.4
93.03465	61.0
94.03819	1.4
99.00851	1.2
100.31211	0.7
101.02438	1.4
109.02954	1.7
110.40813	0.7
111.04531	7.7
113.02445	1.3
127.04001	1.1
129.01959	1.7
133.02959	2.1
134.03755	19.2
137.02437	1.3
146.03740	0.9
147.33406	0.7
149.06096	4.6
155.03516	1.9
160.01678	1.1
161.02460	0.9
170.81419	0.8
173.04575	19.8
175.04060	1.1
178.02757	8.1
179.03418	1.1
191.05630	100.0
192.06007	2.1
193.05064	22.8
267.06720	0.9
280.28003	0.7
367.10339	21.4
367.14954	1.3
368.10764	1.2
409.11301	2.9
505.98737	0.8
529.15631	73.1
530.15900	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01468	3.0
55.01865	3.3
57.03428	4.0
59.01382	75.3
61.98840	16.9
70.43926	3.2
71.01389	56.1
71.43140	3.2
73.02949	30.1
75.00852	6.2
80.91685	45.7
83.01393	15.0
85.02966	19.6
87.00884	7.7
89.02447	43.3
97.02951	16.7
99.00876	12.2
101.02453	100.0
113.02475	20.6
115.04034	7.1
119.03496	9.0
125.02458	24.8
131.03493	12.1
143.03500	15.6
149.04541	13.9
161.02522	5.4
161.04576	30.1
163.06154	10.2
179.05740	5.4
191.05605	6.1
205.07123	7.9
221.06703	5.3
242.56041	4.1
247.08305	14.8
293.08618	4.6
323.09781	16.4
349.11655	7.7
367.12515	8.7
381.89688	5.0
397.22324	5.1
409.13794	4.8
446.39954	3.5
469.15738	25.0
493.12720	3.7
529.26831	23.1
547.68005	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	529.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99398	1.8
55.01879	1.8
57.03448	4.3
59.01389	57.8
60.09268	1.4
61.98834	2.6
70.95902	2.0
71.01388	71.0
73.02955	18.3
82.84084	1.8
83.01405	9.3
85.02962	17.3
85.06614	3.9
86.00103	4.1
87.00885	14.6
87.04524	4.7
89.02452	13.5
93.03458	1.6
95.01433	2.5
96.67830	1.6
96.96010	2.4
97.02951	4.1
99.00908	3.7
101.02455	29.6
103.04020	6.1
113.02461	14.4
115.04025	3.0
119.03490	4.4
121.92734	1.5
125.02438	4.7
127.03919	1.8
127.05141	1.4
129.05568	8.7
131.03493	3.0
135.04547	1.7
143.03491	3.3
144.25468	1.5
145.05066	2.2
145.51790	1.7
147.06657	17.0
149.04636	1.7
159.03001	2.1
161.04605	12.3
163.06126	14.1
173.08176	17.4
201.07748	10.7
205.07285	2.1
232.42363	1.7
247.08157	2.2
263.11395	16.7
291.01166	1.6
307.10550	2.6
409.17160	100.0
410.17340	3.6
437.16696	13.1
469.18558	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	12.3
59.72113	1.4
61.27507	1.4
61.98829	1.9
63.94165	1.4
69.63335	1.5
70.80476	2.1
70.80827	2.3
71.01392	8.5
73.02952	1.9
85.02955	2.7
89.02446	8.2
101.02474	7.6
112.75894	1.6
113.02455	4.3
161.04550	5.2
171.10313	2.2
195.13913	12.2
196.14711	2.0
223.13400	5.1
250.62062	1.5
253.09314	36.5
275.20282	8.7
292.20062	1.8
293.21249	100.0
294.21561	4.3
296.58765	1.6
334.54065	1.5
342.49985	1.8
447.13513	1.7
520.69556	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.2
61.98837	2.5
69.60424	2.1
71.01378	9.9
71.05019	3.0
76.44867	2.6
85.02954	5.6
89.02458	7.4
97.41402	2.7
98.74894	2.1
101.02479	12.6
110.61059	2.5
113.02451	4.6
140.91473	2.3
152.74452	2.7
161.02472	8.8
161.04561	3.5
199.08887	2.7
209.28371	2.3
216.39084	2.4
235.17039	48.8
253.09288	40.9
275.20200	61.5
293.21228	100.0
294.21561	6.1
310.70493	2.6
508.61514	3.1
529.21210	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	529.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79258	1.5
59.01378	10.9
61.98856	1.6
69.79998	2.5
69.80386	3.2
71.01394	4.5
73.02960	2.6
89.02418	3.7
101.02431	5.9
101.86362	1.4
101.98225	1.8
111.72002	1.4
113.02453	3.5
114.21432	1.8
161.02432	1.8
161.04608	2.8
179.05620	1.7
195.13918	6.7
223.13393	3.0
253.09305	31.5
275.20120	7.6
293.21255	100.0
294.21530	2.1
393.36102	1.7
465.82782	1.7
558.19250	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	530.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.6
61.98791	2.5
62.57374	0.7
66.25430	0.6
70.42747	1.3
71.01344	2.8
71.57882	0.6
73.02928	0.7
89.02422	2.4
101.02388	1.3
109.40427	0.6
113.02417	1.3
120.23878	0.7
125.02386	0.9
127.04023	1.1
129.03282	0.6
145.02992	1.0
148.03929	0.7
189.04283	1.6
205.05316	1.1
206.06274	0.6
219.06825	1.0
220.07591	0.9
232.07657	1.4
248.07123	1.6
264.06647	3.9
269.04562	0.8
276.06659	3.7
278.08289	8.3
290.08206	1.4
292.06210	7.4
292.09396	1.1
306.07724	7.0
307.08524	6.8
316.06229	0.8
318.07675	2.9
320.05698	10.4
329.23410	1.0
330.23563	1.2
334.07211	8.7
335.08005	90.7
336.08389	2.8
350.10349	100.0
351.10617	4.6
463.13599	0.7
529.37433	0.9
531.28748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71000	2.1
59.01372	6.6
67.50058	2.5
101.02457	4.1
113.02460	2.1
144.87761	1.9
184.52641	2.1
191.12105	2.2
251.20184	100.0
252.20479	6.8
253.09346	14.4
310.95352	2.3
490.53748	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	530.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01426	1.7
59.01369	3.1
61.98811	2.2
64.24651	2.0
71.01376	3.2
101.02425	4.2
118.54346	1.9
165.62498	2.0
251.20166	100.0
252.20554	3.6
253.09265	13.7
259.06277	2.0
458.15228	2.1
499.51031	2.1
501.42429	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	530.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60680	0.4
54.84277	0.5
59.03303	0.4
61.98814	1.8
69.18822	0.8
69.19222	2.1
78.69996	0.4
78.95913	17.4
93.27349	0.4
96.95977	0.4
122.98553	0.5
152.99579	2.2
168.04358	2.6
182.68939	0.4
224.06941	8.5
242.08063	1.6
255.23305	100.0
256.23724	3.0
277.21667	1.1
449.56854	0.5
456.00552	0.4
480.30994	62.0
481.31387	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	531.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
61.23724	0.6
67.01904	0.6
71.01389	1.4
73.41161	0.5
76.29118	0.5
77.61767	0.5
85.02953	8.5
87.00891	1.4
93.03473	5.0
98.21888	1.4
101.91403	0.6
108.02161	0.6
109.02959	15.3
111.04488	1.1
119.05074	0.8
121.02979	1.4
127.04034	1.8
129.03482	1.2
131.04967	0.9
133.02991	0.8
137.02451	1.8
145.02966	6.2
146.03764	1.1
147.04549	5.5
157.02953	5.1
158.03766	1.5
159.04524	10.6
161.02423	1.1
163.04053	0.6
173.02412	2.0
173.04599	1.1
174.03226	1.2
175.03978	3.1
185.02464	5.7
186.03273	0.8
187.04056	0.7
191.05630	60.7
192.06017	0.9
193.06549	0.9
197.06052	0.7
201.01958	1.7
203.03577	0.9
209.05997	0.5
211.07706	1.1
213.02191	0.7
221.06139	2.3
222.06779	0.8
223.07761	0.7
224.04829	1.2
225.05634	1.1
229.01431	38.3
230.01964	1.4
233.06133	0.5
237.05798	0.8
238.06372	0.9
239.07236	3.4
248.04817	1.3
249.05582	7.2
250.06332	2.1
253.05043	1.1
265.05045	1.2
266.05847	2.9
267.06653	19.1
268.06906	1.1
269.08075	1.4
276.04126	1.1
277.05060	13.3
278.05734	3.0
280.03809	0.8
281.04248	0.5
285.03809	0.8
293.04617	5.6
294.05276	3.8
295.06143	26.9
296.06497	1.3
313.07202	0.5
321.04050	0.7
339.05103	100.0
340.05414	4.4
487.12491	2.1
531.11481	13.2
531.19482	0.5
532.11926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04048	0.5
57.03445	0.7
59.01368	1.8
61.98831	1.4
62.09571	0.5
64.97839	0.6
67.01883	0.8
69.21310	1.2
69.21726	2.3
71.01372	1.2
83.05033	0.7
85.02966	8.0
87.00876	2.2
89.02414	0.6
93.03473	5.1
101.02451	1.2
108.02184	0.8
109.02962	13.4
111.04516	1.2
119.05030	0.8
121.02974	2.0
127.04045	1.8
129.03499	1.0
133.02956	2.2
135.04497	0.6
145.02995	6.3
146.03745	0.8
147.04539	8.1
157.02969	6.3
158.03711	1.7
158.48166	0.6
159.04523	11.7
159.46516	0.8
161.02446	4.3
163.03979	1.0
171.03040	0.9
173.02458	2.5
173.04587	1.8
174.03271	1.0
175.04027	2.8
185.02477	4.7
186.03291	0.8
187.04042	0.7
191.05624	51.9
192.05977	1.4
193.06531	0.8
197.06192	1.0
201.01907	1.5
203.03529	1.0
211.07596	1.5
221.06075	2.8
222.06923	0.7
224.04723	1.4
225.05548	1.1
229.01439	37.9
230.01976	1.4
231.77065	0.7
237.05742	0.9
238.06499	0.8
239.07138	2.4
240.04463	0.6
248.04810	1.7
249.05580	6.6
250.06294	3.1
252.04402	0.7
253.05243	1.2
265.05164	2.0
266.05902	2.5
267.06638	18.0
268.06949	0.8
269.04520	3.4
269.08133	3.2
277.05090	13.4
278.05801	2.7
280.04034	0.6
285.04184	1.0
293.04584	5.2
294.05283	3.1
295.06134	26.7
296.06445	0.8
313.07092	1.2
321.04187	0.8
339.05115	100.0
340.05569	4.3
357.06244	0.8
379.30151	0.8
411.98416	0.7
423.86459	0.6
450.12170	0.9
487.12457	1.8
531.11414	14.9
532.11237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.3
59.01372	5.8
61.98833	5.9
69.35754	5.5
71.01385	3.3
73.02968	1.9
82.83954	1.2
85.02969	9.8
87.00877	2.7
89.02445	1.6
93.03487	3.8
98.21939	2.5
99.04530	2.3
101.02447	2.1
109.02970	12.9
117.03490	1.3
121.03001	2.1
127.04050	2.2
128.41179	1.3
133.03008	9.5
135.04547	3.0
137.02464	1.9
145.02985	6.0
147.04520	7.8
157.02963	4.8
158.03755	1.1
159.04544	11.3
160.01706	1.3
161.02463	11.2
173.02419	1.4
173.04565	1.7
175.03999	3.4
177.01956	3.6
179.03476	1.5
185.02444	4.6
191.05635	58.2
192.06294	1.3
197.06038	1.4
201.01920	1.2
202.18900	1.2
203.03595	1.1
209.35439	1.4
229.01437	38.8
232.05206	1.3
239.07225	3.6
249.05638	4.6
250.06322	2.8
253.05165	1.7
266.05890	1.6
267.06625	16.8
269.04568	11.8
269.08127	4.2
274.52863	1.2
277.05142	14.2
278.05887	2.8
285.04150	3.3
293.04596	4.6
294.05447	3.6
295.06125	27.6
339.05127	100.0
340.05511	5.0
431.43002	1.2
476.38971	1.2
487.12112	1.5
531.11536	24.3
531.27814	1.8
531.64227	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	531.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98338	2.9
54.77605	2.6
59.01385	100.0
70.37788	3.4
70.38116	4.9
71.01381	5.3
87.00872	3.5
120.24365	2.7
129.29120	2.8
134.12303	3.0
141.00682	5.6
141.01718	69.5
155.60013	2.9
161.20255	2.6
161.80138	3.0
193.04988	3.2
310.06909	3.4
382.79132	2.9
466.25784	2.9
513.23602	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	531.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	31.2
61.98829	12.2
67.79821	7.4
71.01385	25.9
72.99297	9.5
74.26421	9.4
75.04471	7.8
83.01385	12.4
85.31049	8.7
87.00877	28.2
89.82741	8.0
96.96052	8.9
109.02979	23.7
111.00916	19.6
115.00366	53.3
121.02966	16.0
122.03752	9.3
135.04549	20.1
139.00414	30.6
146.03761	8.0
147.04480	15.7
149.02492	11.3
149.06175	13.2
150.03291	11.4
156.00645	27.3
156.83652	8.8
157.01440	33.2
161.02531	20.7
174.01746	68.8
175.02580	49.6
175.03874	13.0
177.01936	10.9
191.03482	11.5
191.05617	17.2
193.05170	43.4
207.06670	26.8
216.12970	9.0
227.19641	8.2
233.04591	32.4
234.05255	14.7
236.22438	8.7
247.06262	11.9
251.05675	24.1
289.07114	22.0
292.90320	9.7
307.08261	100.0
309.06097	11.5
339.05063	12.1
410.75360	9.5
413.11066	13.6
471.11606	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35224	0.9
56.10722	0.9
57.03469	1.2
59.01385	12.2
61.98835	29.7
64.28844	0.9
67.01903	3.8
69.03461	1.5
69.56654	3.6
71.01387	9.0
73.02956	2.4
75.44289	1.0
79.46996	1.2
81.03458	1.6
83.05025	2.0
85.02956	10.8
86.32153	1.1
87.00890	6.3
89.02461	4.1
93.03468	23.7
96.96045	1.6
99.04474	1.1
101.02460	3.6
101.68800	1.2
105.03448	1.5
109.02958	2.6
111.04546	4.7
113.02463	2.7
117.03513	1.2
119.03463	1.4
125.02560	1.0
127.04019	2.0
132.02173	3.5
133.02972	14.4
134.03760	2.2
135.04567	6.2
136.11629	1.2
151.00468	1.3
155.03525	1.2
160.01695	10.3
161.02449	15.6
161.04610	1.8
171.02957	1.1
173.04539	7.2
177.01935	2.7
177.05363	1.0
179.03619	2.2
179.05698	1.2
191.05634	100.0
192.06042	1.3
215.05629	2.4
219.14041	1.1
269.04532	2.4
285.04004	3.1
307.02493	1.9
313.21408	1.0
339.04831	2.1
339.08719	22.6
351.07193	6.0
351.84146	1.0
404.80743	1.2
474.27725	1.1
531.15039	5.6
531.28345	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	531.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
58.64236	0.7
59.01389	14.3
61.98846	5.6
63.22397	0.8
71.01390	6.6
73.02959	1.9
78.91899	8.7
82.95425	2.3
83.01357	0.8
83.05040	2.3
85.02952	3.4
85.06588	1.6
87.00855	1.1
88.98810	0.9
89.02446	3.2
96.95991	1.3
97.02929	1.3
101.02457	4.5
109.02952	2.7
113.02461	1.6
113.06090	3.1
115.04036	1.5
115.50767	1.1
119.03481	1.8
121.02961	1.0
123.04556	2.0
125.02456	1.5
127.04056	5.3
133.02965	1.8
135.04543	2.0
137.02470	34.6
137.03519	2.0
138.03250	100.0
139.04094	5.3
139.07558	1.2
145.02971	1.3
151.04088	1.0
151.20271	0.8
153.05597	96.9
154.05887	1.5
157.05067	1.0
160.04021	1.5
161.02455	2.3
161.04538	3.9
162.03253	0.9
167.07124	3.3
176.01175	0.9
177.01891	2.2
177.35741	0.9
185.27773	1.0
189.01955	1.1
193.05011	0.9
195.06519	0.8
197.04504	1.1
207.03163	0.8
211.06142	3.7
217.01416	1.0
273.80042	0.8
282.07343	1.2
297.09790	1.6
309.26187	0.8
335.22519	0.9
341.06595	2.7
371.79193	0.8
401.11032	2.3
403.27161	1.3
451.10284	2.5
531.17419	4.0
531.28699	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
61.98827	1.2
62.23514	0.3
65.00327	0.7
69.21024	1.1
69.21429	0.6
71.01380	0.7
71.05006	0.4
73.02946	0.4
83.01381	0.5
83.05032	0.5
85.02986	0.3
87.00875	0.3
93.03460	0.4
96.01180	0.3
97.02947	0.4
101.02417	0.6
109.02962	0.8
117.03473	0.8
119.03503	0.3
121.02955	0.7
122.03745	2.9
123.04554	0.4
124.45087	0.3
125.02456	0.6
127.04030	1.8
133.02957	0.7
134.03781	1.5
135.04530	0.8
137.02458	7.3
139.07632	0.5
143.05022	4.6
145.03026	0.4
146.08229	1.1
151.04050	0.7
153.07156	0.3
154.02655	0.3
156.30577	0.3
158.03761	0.3
160.01627	0.9
161.02444	0.9
163.03986	0.4
164.01155	1.9
164.03532	0.6
165.01942	13.6
167.05035	8.6
168.05373	0.3
169.06569	1.9
175.04030	0.8
176.01157	1.2
177.01930	0.5
178.02629	0.6
179.03552	2.4
180.05840	3.7
181.06592	3.9
183.04535	2.9
185.06116	1.7
189.01880	0.5
191.03532	0.8
193.05075	1.1
196.05278	0.6
196.06970	0.4
197.06088	3.2
207.04623	0.4
208.05293	4.9
209.06094	17.4
210.06453	0.6
211.04016	2.9
217.12041	0.3
224.04750	1.2
224.89597	0.3
225.05576	7.4
226.05916	0.3
227.07144	4.9
235.03937	0.5
252.04305	1.2
253.05075	100.0
254.05411	3.1
270.07675	0.5
271.06122	6.1
272.06506	0.4
277.12265	1.4
281.04614	0.3
288.06458	4.2
309.04025	0.3
323.07776	0.8
330.08115	0.8
337.09256	0.5
339.08655	0.5
341.06699	1.2
369.17786	0.4
401.11703	0.4
403.27014	0.3
423.03186	0.3
473.08765	3.1
495.12918	0.6
531.11859	0.4
531.19006	0.6
531.28162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10301	1.6
51.67676	1.8
54.38605	1.7
57.03446	5.4
59.01384	100.0
61.98835	20.6
69.03457	4.3
71.01387	45.4
71.01789	2.3
71.04984	3.3
72.99321	3.3
73.02953	17.3
78.98565	1.9
81.03468	4.3
83.01389	4.2
85.02958	15.5
87.00903	3.5
89.02459	25.6
95.01413	2.2
97.02962	7.9
99.04536	2.7
101.02450	35.2
103.04032	21.9
113.02468	5.8
117.03473	1.9
119.03528	13.1
119.05000	2.3
125.02458	31.5
127.04006	2.9
131.03506	1.6
133.02957	5.9
135.04538	2.1
145.02986	4.4
145.05095	5.4
148.05321	27.5
160.04025	3.7
161.02489	10.5
163.06157	21.4
163.07672	6.5
179.03468	2.8
181.21400	1.7
191.05559	3.8
204.04324	2.4
209.73558	1.8
217.00215	1.7
247.08261	6.8
255.03094	2.5
255.11603	2.2
268.75922	1.9
269.04648	5.7
270.04953	2.1
281.06738	2.7
285.04074	19.6
286.04373	2.2
307.10349	15.0
323.07635	3.7
326.86804	2.1
339.04953	2.7
369.08954	2.4
531.14667	3.0
531.27966	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	531.2447
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
55.66207	2.4
58.00599	3.9
59.01386	95.4
61.98833	7.7
69.83608	2.6
71.01392	45.2
73.02957	24.6
73.12296	2.7
75.00879	4.1
77.94724	2.4
78.25479	3.0
83.01391	4.4
83.05034	2.9
85.02947	10.7
89.02457	21.6
97.02897	4.3
97.06580	3.1
97.99545	3.1
99.00896	6.0
101.02450	28.7
107.77342	2.4
113.02442	15.8
119.03484	5.5
131.03577	3.4
149.04558	6.4
161.04564	8.3
167.14473	4.2
183.13940	5.4
191.14471	4.2
195.13861	15.0
197.15448	11.5
207.13922	4.9
209.15512	6.6
213.14973	100.0
223.17036	8.2
227.16554	26.0
237.15007	21.1
249.15031	13.5
255.16020	30.0
267.15848	9.5
334.22729	3.1
399.23837	10.6
404.43494	2.9
495.28043	7.3
531.27942	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2595
Annotation	Roridin A
Peak:m/z	Relative Intensity
55.01871	3.2
57.03440	5.7
57.82116	2.7
59.01085	4.6
59.01383	89.4
61.98834	57.2
71.01025	5.2
71.01389	64.9
72.99316	3.9
73.02952	27.4
83.01389	7.9
85.02966	23.0
87.00874	8.0
89.02454	54.6
93.03461	4.1
95.01363	3.8
97.02971	2.9
99.00877	9.7
99.04554	4.3
101.02449	51.2
104.72552	2.6
113.02471	22.4
116.92879	3.0
117.47790	2.7
119.03522	5.9
125.02433	6.1
125.09727	3.3
127.04042	4.0
131.03520	14.9
133.02939	5.7
135.04480	4.8
143.03468	4.7
149.04533	18.0
161.02463	4.3
161.04529	9.4
173.04454	4.7
179.03432	3.7
191.05611	7.4
193.27185	3.2
201.11430	3.2
225.05669	16.6
268.03769	7.3
269.04483	14.7
285.03986	9.2
325.23849	3.4
351.21799	17.9
363.23950	17.2
399.23816	12.0
440.94934	2.9
495.28168	98.4
495.35352	6.4
496.28656	3.8
531.15015	6.0
531.26874	100.0
532.28223	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14758	4.0
55.01870	7.9
57.03444	6.5
57.91512	4.2
59.01383	70.8
61.98834	15.4
71.01386	79.6
72.99300	4.7
73.02966	28.7
75.00880	5.1
82.95443	6.3
83.01405	13.0
85.02963	36.1
87.00866	11.1
89.02440	23.8
95.01408	4.7
97.02956	5.4
99.00893	12.9
101.02445	66.2
113.01788	4.8
113.02461	26.7
116.92881	6.4
119.03481	4.2
125.02483	8.6
131.03558	5.6
138.49986	4.1
149.04567	9.7
152.11497	4.1
159.02911	6.8
161.04564	23.7
168.99518	3.8
177.09192	38.9
223.13353	8.7
231.13980	7.9
234.09250	4.3
363.23883	6.2
369.19138	13.6
448.42175	5.5
495.28162	61.1
496.27689	4.8
531.24652	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	531.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03455	0.8
57.49594	0.3
58.00597	1.5
59.01384	83.1
60.01723	0.8
61.98829	1.3
69.03464	0.9
71.01387	57.0
72.99323	1.6
73.02952	20.7
75.00864	0.4
82.95422	1.6
83.01397	1.3
85.02956	7.3
87.00878	2.2
89.02452	100.0
89.73153	0.3
90.02781	0.7
95.01408	1.0
97.02973	1.4
99.00887	27.3
99.04510	0.3
101.02451	38.1
102.02852	0.4
106.15745	0.3
112.98808	0.4
113.02467	10.4
115.04025	0.7
119.03512	7.3
125.02468	4.4
131.03516	25.6
132.03810	0.3
143.03502	2.3
149.04567	64.0
150.04951	1.0
154.29425	0.3
161.04587	3.1
179.05637	2.8
191.05621	17.6
192.05984	0.4
221.06685	1.7
233.06773	0.6
251.07687	4.0
255.02951	0.3
268.03644	1.4
269.04544	2.9
284.03397	0.4
293.08710	0.7
311.10040	0.5
329.37231	0.3
399.23798	0.8
495.28110	0.5
531.14783	1.0
531.28101	14.3
532.28607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.282
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01879	5.3
55.18649	0.9
57.03459	4.1
58.00593	1.6
59.01385	86.7
61.98840	21.2
62.45745	0.9
63.06358	0.8
63.13552	0.9
69.03461	3.1
69.10341	5.8
71.01391	100.0
72.99323	2.7
73.02956	35.7
75.00869	2.5
80.98997	1.0
81.03458	1.4
83.01392	11.3
84.02195	0.9
85.02964	34.0
87.00900	6.1
89.02454	79.7
93.03462	2.5
95.01408	5.0
95.02296	1.0
97.02972	4.3
98.21844	1.2
99.00900	26.9
101.02455	65.2
101.59032	0.8
111.00905	1.3
113.02464	31.5
115.04031	3.1
116.92886	1.4
119.03507	16.1
125.02458	9.1
127.03990	1.1
129.01971	1.5
131.03520	14.6
135.04601	1.0
141.01947	1.2
143.03529	6.6
148.45480	0.8
149.04565	43.3
159.02992	3.9
161.02522	1.4
161.04570	34.0
173.04597	1.4
177.61104	0.8
179.05649	8.0
191.05624	10.7
221.06729	1.9
227.03459	3.9
233.06749	5.7
251.07738	3.9
255.02946	7.0
284.03232	6.4
285.04004	4.1
293.08841	3.2
335.73370	0.9
339.05093	1.3
341.19519	5.1
369.22754	1.2
399.23877	13.6
473.23972	11.1
495.28241	4.3
513.27051	2.7
531.11444	3.6
531.28217	89.2
532.28418	5.6
538.22125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.6
57.03444	4.2
59.01384	100.0
61.98822	4.3
69.03458	2.8
71.01385	72.2
72.27812	1.1
72.99303	2.6
73.02953	25.8
75.00906	2.2
83.01394	8.4
85.02959	20.9
87.00883	3.8
89.02451	72.7
95.01405	4.8
97.02957	4.7
99.00886	19.4
101.02451	54.2
111.00894	1.9
113.02459	24.9
115.04018	2.5
119.03521	18.8
122.95859	1.0
125.02472	7.6
129.01981	1.3
131.03491	9.8
137.02518	2.2
143.03516	4.6
149.04565	26.9
159.02968	2.4
161.04575	13.7
179.05637	4.9
191.05652	7.2
227.03532	1.3
233.06723	4.8
251.07965	1.2
255.02974	3.7
284.03271	4.2
285.04260	1.4
399.23886	35.7
400.24380	2.0
531.28156	89.9
532.28339	8.4
538.87274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16303	1.7
61.98823	3.4
73.47852	1.5
78.71470	1.7
132.17046	1.7
162.55583	1.6
182.59091	1.8
190.02699	2.2
199.07571	4.4
204.32355	1.9
229.59149	2.2
243.06615	51.4
244.06979	2.2
312.13721	29.5
327.16028	100.0
328.16333	5.5
329.13928	2.6
329.78018	1.9
378.19376	2.0
422.70129	1.8
423.72592	1.9
428.11664	3.1
520.12653	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	532.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.6
61.98827	1.0
69.28014	3.3
71.01382	2.2
74.80933	0.6
85.02962	0.7
89.02460	3.3
91.84273	0.6
95.26578	0.6
101.02443	1.3
113.02454	1.5
119.03518	1.8
179.05617	2.8
183.13919	8.5
195.13913	7.2
213.14989	100.0
214.15289	1.8
232.51062	0.7
288.94952	0.7
318.08591	0.9
494.94775	0.8
520.14825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55704	0.4
51.74010	0.3
52.88580	0.4
54.83175	0.4
56.92224	0.4
61.98829	1.8
68.50658	0.4
69.19210	1.2
69.19624	1.3
75.71142	0.4
78.95908	26.1
84.06160	0.4
96.96037	3.1
96.96967	1.1
98.21899	1.0
98.95598	3.0
98.96404	0.5
99.92652	0.6
102.86024	0.4
116.92868	1.2
139.66791	0.4
152.99626	4.7
164.90485	0.6
166.45242	0.4
178.88426	7.1
179.89275	4.5
180.88608	0.6
180.90028	7.8
196.89499	100.0
197.89511	2.2
205.90623	0.4
234.29863	0.4
234.91139	0.5
235.91957	0.5
252.92270	0.5
255.23280	1.2
334.10373	0.4
433.23404	0.9
457.10913	0.9
515.15198	0.7
533.16290	6.7
534.16412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82624	0.4
53.39006	0.4
57.06686	0.3
59.01373	1.5
61.98845	0.4
65.54671	0.3
67.01882	0.3
69.27498	1.7
70.52242	0.3
71.01383	0.7
73.02937	0.4
74.86136	0.3
78.66608	0.4
81.03467	0.6
85.02957	10.4
85.03476	0.5
87.00878	1.9
93.03461	3.5
105.01925	0.9
109.02972	1.0
111.04515	1.1
114.22815	0.4
127.04014	2.4
142.14198	0.3
171.03040	0.7
173.04520	0.8
179.81535	0.3
191.05624	100.0
192.05923	1.7
250.24881	0.4
312.80508	0.4
452.14365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59796	0.6
55.01894	0.5
57.03453	1.1
58.00599	1.5
59.01386	100.0
60.01697	0.6
61.98847	0.8
64.65656	0.5
70.12791	0.6
70.13115	1.1
71.01391	55.4
72.99294	1.5
73.02944	3.0
79.22897	0.5
83.01405	2.2
85.02958	9.0
85.04099	0.5
87.00901	2.6
89.02456	81.7
95.01391	2.9
97.02953	0.9
98.22613	0.7
99.00886	1.0
101.02454	25.2
103.82568	0.6
113.02461	22.1
119.03522	27.3
123.04546	0.7
125.02462	1.0
128.03552	0.7
131.03554	4.3
137.50391	0.5
143.03526	5.9
149.04581	3.9
151.04047	5.3
161.04555	5.4
163.03947	0.7
165.09177	0.7
179.05624	13.0
185.56392	0.5
190.05078	1.8
191.05608	1.5
199.06084	0.7
413.56470	0.6
465.91092	0.7
498.15707	0.7
533.21545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2608
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01869	5.8
57.03441	6.9
59.01384	100.0
61.55041	1.2
61.98550	1.7
61.98836	24.5
69.03459	2.3
71.01387	85.5
71.45249	1.2
72.99316	2.8
73.02951	28.2
75.00870	1.5
83.01402	15.8
85.02956	44.7
87.00867	5.3
89.02453	46.9
95.01398	7.6
95.85744	1.2
97.02975	3.0
99.00905	9.1
101.02454	83.7
109.02955	2.1
109.56837	1.2
112.98848	1.9
113.02459	46.3
116.92854	2.0
119.03509	19.1
125.02450	2.6
131.03539	2.0
135.04477	2.3
143.03520	7.0
149.04439	1.4
159.02969	5.3
161.02444	3.0
161.04564	31.4
179.03551	3.0
179.05594	9.6
191.05579	4.6
192.96425	1.4
209.15424	8.3
247.13055	1.7
282.09103	1.8
283.02731	1.3
284.03156	1.6
285.04056	5.3
297.11356	1.5
353.10223	3.0
353.23361	2.6
371.20749	84.7
372.20908	5.2
389.17966	2.1
431.09976	1.6
532.65503	1.3
533.25983	87.8
534.26257	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	534.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
63.95508	3.9
71.01386	63.3
71.41249	4.7
85.02913	7.8
89.02453	77.8
90.43410	4.4
101.02452	25.5
101.44877	3.6
101.65411	3.7
113.02453	18.1
119.03500	28.5
122.35582	4.4
122.62571	4.2
132.04567	28.0
144.42050	3.8
152.46881	4.1
161.04648	5.4
165.18857	4.6
179.05713	7.3
285.59171	4.4
294.09909	6.5
319.93317	4.3
341.10864	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	534.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66188	1.5
52.77648	1.3
57.41822	1.4
59.01385	100.0
61.98859	3.5
62.11012	1.3
67.51277	1.3
71.01389	53.6
72.00910	1.4
72.99357	1.7
79.60809	1.4
81.22555	1.5
85.02946	8.5
87.00883	2.3
89.02455	66.5
95.01382	3.9
101.02451	24.8
101.82533	1.6
113.02468	18.5
115.03972	1.4
119.03511	26.9
131.03577	3.5
132.04568	39.5
143.03539	3.6
149.04599	2.8
149.59724	1.6
161.04572	3.0
164.07176	2.8
170.99825	2.2
179.05667	6.9
179.99747	2.1
213.00728	1.5
217.32970	1.3
239.94728	1.6
251.21227	1.4
294.09766	3.1
318.06564	2.0
369.01492	1.5
474.07675	3.2
492.08710	1.6
533.50824	1.4
534.18213	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	534.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
59.01383	6.1
60.01706	0.4
61.98837	100.0
71.01389	3.7
73.02958	1.5
74.02499	1.7
75.00890	0.8
83.01401	0.9
84.02950	0.3
85.02980	1.7
87.00852	0.4
89.02454	2.1
91.02939	0.3
101.02452	3.3
103.04048	0.6
113.02480	1.5
119.03535	0.8
123.14604	0.3
125.02472	0.8
126.88602	0.3
148.05283	0.4
161.04578	0.5
163.06184	0.5
187.47173	0.4
187.56142	0.3
265.18210	0.5
283.19299	0.5
358.22424	0.8
373.22363	1.9
384.64386	0.3
402.25177	2.4
533.29559	0.4
534.30060	1.4
535.27020	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	534.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33002	0.3
55.78505	0.4
56.07027	0.4
59.01396	0.9
61.74895	0.4
61.98835	100.0
69.69033	1.1
69.69379	0.8
71.01414	1.0
71.30956	0.5
80.57123	0.4
92.14989	0.5
98.22651	0.4
104.88519	0.4
143.62567	0.5
211.80779	0.4
268.14941	0.4
288.77988	0.4
363.11749	0.5
374.06671	0.5
419.41888	0.5
522.65570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33325	1.4
53.00037	1.4
53.31285	1.2
54.54424	1.3
59.00389	1.4
61.98823	3.0
70.70597	1.7
73.51139	1.4
78.95915	29.4
81.76398	1.4
83.07277	1.4
92.14822	1.3
96.08501	1.3
140.01233	7.1
152.99588	4.6
171.00745	1.9
196.03835	12.4
199.13371	2.1
200.13831	1.5
214.04770	1.8
259.92407	1.5
279.23315	100.0
280.23648	3.4
337.19119	1.6
365.26929	5.4
366.27328	10.1
476.27823	53.5
477.27887	1.9
534.23523	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	534.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70013	0.7
59.01387	0.9
59.18123	0.7
67.41279	0.7
69.15426	3.4
69.15829	1.6
73.79452	0.7
78.74162	0.7
78.95909	7.3
85.31377	0.7
135.28017	0.7
138.92114	1.7
140.01175	2.3
196.03769	1.4
214.04884	3.4
220.00375	0.7
279.23309	100.0
280.23764	3.9
304.45160	0.8
337.19241	3.4
366.27267	1.7
409.82202	0.9
462.77362	0.8
466.08292	0.9
476.27866	30.5
477.28802	1.0
534.23633	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	534.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01383	12.3
61.98835	44.6
71.01390	5.7
73.02956	2.0
74.02480	63.6
78.35161	0.6
83.01398	1.2
85.02959	2.5
87.00887	4.7
89.02461	3.1
93.03466	1.0
97.06579	0.7
101.02441	5.5
101.58945	0.7
102.56397	0.7
112.98812	1.7
113.02460	2.2
116.56333	0.7
118.05125	2.1
119.03485	0.8
121.02982	0.9
132.04613	1.3
133.79797	0.7
135.04553	0.9
146.09721	0.7
148.04024	0.7
149.00929	2.0
160.04068	5.2
161.04568	1.9
181.00838	0.7
191.05588	0.9
198.87434	0.7
205.85268	0.6
212.93687	0.7
221.19118	13.3
221.21173	1.0
239.20201	2.4
265.18097	10.7
283.19171	15.1
296.22299	10.3
301.20230	2.3
314.23422	4.6
340.21240	3.0
340.24866	1.5
355.12067	0.8
358.22360	36.6
359.22733	1.8
373.22159	1.2
373.66177	0.7
384.23776	0.7
402.24994	100.0
403.25299	5.7
534.24713	1.3
534.30109	3.6
535.32227	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	534.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	1.2
66.90309	0.8
67.09083	0.8
67.74319	0.8
71.45203	1.0
78.95912	26.3
109.86591	0.9
125.51928	1.1
140.01215	6.4
144.74095	1.0
152.99597	2.2
196.03795	12.5
198.21083	1.0
214.04852	2.1
255.23308	100.0
256.23608	3.9
266.31464	1.0
387.11292	1.2
452.27835	59.7
453.28195	2.9
475.25406	1.1
534.26990	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	534.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45455	1.7
59.01399	3.5
61.98838	6.2
70.04131	4.5
70.04488	4.0
74.71934	2.3
78.95924	14.4
89.02441	2.4
96.56015	1.9
98.22580	2.4
101.02436	2.6
104.04295	1.9
105.18407	2.0
152.99602	14.7
159.33972	2.1
165.20233	2.2
196.89493	9.7
197.89531	3.9
253.09361	14.8
255.23325	100.0
256.23526	3.7
280.45761	2.1
296.21622	2.4
323.21368	2.1
370.27252	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22589	2.0
59.01373	5.5
61.98825	5.7
62.14183	2.4
69.23193	10.0
83.01378	2.6
98.21852	5.1
99.00903	4.1
103.54336	2.2
109.02937	9.4
113.02439	2.7
115.00368	4.4
118.41824	2.2
121.02968	2.6
121.06567	4.5
133.03000	3.8
135.04555	6.4
137.02440	3.8
143.06392	2.7
147.04523	6.4
148.05263	4.6
149.06097	100.0
152.08795	2.1
161.02452	10.9
163.04031	6.0
165.05569	7.4
168.29224	2.4
175.03999	18.2
177.01906	10.2
189.05504	2.9
193.05034	20.2
205.05222	2.3
219.03008	35.8
231.06514	3.2
233.04654	12.2
237.04063	59.6
259.02496	4.3
259.40869	2.3
275.05579	2.9
277.03476	5.1
293.06680	3.1
293.62903	2.7
319.04553	6.2
337.05692	86.7
381.08170	5.6
399.09204	6.7
439.08679	5.6
481.09863	14.7
499.10947	57.6
500.11047	3.6
535.08960	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	535.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83120	1.3
55.01887	2.3
57.03460	4.7
59.01383	63.9
59.07837	1.4
60.01728	1.8
61.98839	33.2
66.97977	1.2
67.01910	1.5
68.80007	1.1
68.86496	1.3
69.03491	2.1
70.81951	1.7
71.01389	47.1
71.05040	1.7
72.99329	1.8
73.02953	17.5
75.00884	1.6
81.03468	2.1
83.01390	6.2
85.02956	25.3
85.06643	1.6
87.00863	6.6
89.02451	26.5
89.02944	2.1
93.03471	19.9
93.04007	1.2
95.01442	4.1
96.96061	1.5
97.02969	1.2
97.06605	1.3
99.00928	5.6
99.04550	2.6
101.02451	36.0
101.03088	2.1
104.66422	1.3
108.02247	4.7
109.02982	3.2
111.00908	3.2
111.04561	1.9
112.98813	2.2
113.02468	16.6
119.03505	7.5
120.99651	1.9
121.03024	4.9
123.01002	1.4
123.04515	1.6
124.01738	4.1
125.02520	5.0
126.03259	1.7
127.04028	1.7
129.09312	2.0
131.03586	2.1
131.71355	1.2
132.02325	2.4
132.04665	3.5
133.02945	8.1
134.03801	7.4
134.06154	1.5
135.04547	100.0
136.05348	9.4
137.02467	22.9
137.06117	1.4
139.21999	1.5
143.03526	3.1
146.03786	10.3
147.04681	1.4
149.02531	1.5
149.04642	2.9
150.03331	2.9
151.04033	7.8
155.10852	3.6
159.03085	1.5
160.01723	3.3
161.02504	9.8
161.04662	12.5
161.06053	2.7
162.02788	1.6
163.04120	2.9
164.04785	7.5
165.05736	1.2
167.03571	1.4
173.04637	4.0
177.01988	4.9
179.03539	19.2
179.05779	2.3
179.07004	7.1
180.04324	3.1
185.06100	1.4
187.09883	1.9
187.11412	2.6
191.05640	94.0
192.05986	1.6
217.10912	2.2
221.06534	1.9
237.05643	2.5
259.11810	2.1
265.05289	2.1
267.06793	4.4
286.04639	1.5
293.04568	8.0
295.09677	1.6
296.10873	1.8
299.18643	1.9
307.08456	4.4
308.09076	18.5
325.07184	11.5
326.07904	1.6
329.27060	2.0
340.09604	6.4
343.08295	8.0
351.07614	4.8
352.08124	15.5
353.08722	6.8
355.11749	13.6
355.25128	3.9
373.22382	2.9
373.26224	9.5
403.23926	2.2
417.15942	1.4
475.22116	1.7
485.11188	3.2
491.32724	2.8
503.17184	3.2
517.30646	5.2
534.29816	2.7
535.18805	2.9
535.31622	63.3
536.32666	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21071	0.6
54.64681	0.6
57.03444	1.2
59.01385	6.2
61.98837	2.2
67.01908	1.0
71.01408	3.9
73.02951	1.7
82.95421	1.2
85.02968	8.2
87.00909	3.1
89.02445	2.0
93.03472	6.7
99.04523	0.7
101.02475	3.0
108.02180	1.5
109.02959	2.4
111.04542	1.6
113.02451	0.8
119.03504	1.0
119.50288	0.6
123.04549	0.7
124.16839	0.7
125.02453	0.8
126.03170	0.6
127.04023	2.3
133.02953	2.1
134.03738	1.4
135.04544	13.4
136.05312	1.3
137.02438	1.4
150.03226	0.7
151.03999	1.7
161.02460	0.8
161.04579	1.3
173.04567	5.0
179.03500	3.2
180.04257	0.6
191.05635	100.0
192.05978	1.3
211.04005	1.0
211.07697	0.9
221.06003	1.1
226.06374	1.6
237.05569	2.5
239.07137	1.7
248.25563	0.6
249.05730	0.8
265.05084	3.8
267.03125	0.8
267.06665	2.1
273.07651	1.3
279.05988	0.6
293.04572	5.7
297.08112	0.7
308.08990	1.8
311.05518	0.9
317.10352	0.7
325.07205	12.3
326.07568	0.6
343.08243	10.3
352.08020	1.4
355.11960	1.3
427.11008	1.0
475.21820	1.0
517.13434	0.9
535.14337	3.8
535.30951	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	535.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83120	1.3
55.01887	2.3
57.03460	4.7
59.01383	63.9
59.07837	1.4
60.01728	1.8
61.98839	33.2
66.97977	1.2
67.01910	1.5
68.80007	1.1
68.86496	1.3
69.03491	2.1
70.81951	1.7
71.01389	47.1
71.05040	1.7
72.99329	1.8
73.02953	17.5
75.00884	1.6
81.03468	2.1
83.01390	6.2
85.02956	25.3
85.06643	1.6
87.00863	6.6
89.02451	26.5
89.02944	2.1
93.03471	19.9
93.04007	1.2
95.01442	4.1
96.96061	1.5
97.02969	1.2
97.06605	1.3
99.00928	5.6
99.04550	2.6
101.02451	36.0
101.03088	2.1
104.66422	1.3
108.02247	4.7
109.02982	3.2
111.00908	3.2
111.04561	1.9
112.98813	2.2
113.02468	16.6
119.03505	7.5
120.99651	1.9
121.03024	4.9
123.01002	1.4
123.04515	1.6
124.01738	4.1
125.02520	5.0
126.03259	1.7
127.04028	1.7
129.09312	2.0
131.03586	2.1
131.71355	1.2
132.02325	2.4
132.04665	3.5
133.02945	8.1
134.03801	7.4
134.06154	1.5
135.04547	100.0
136.05348	9.4
137.02467	22.9
137.06117	1.4
139.21999	1.5
143.03526	3.1
146.03786	10.3
147.04681	1.4
149.02531	1.5
149.04642	2.9
150.03331	2.9
151.04033	7.8
155.10852	3.6
159.03085	1.5
160.01723	3.3
161.02504	9.8
161.04662	12.5
161.06053	2.7
162.02788	1.6
163.04120	2.9
164.04785	7.5
165.05736	1.2
167.03571	1.4
173.04637	4.0
177.01988	4.9
179.03539	19.2
179.05779	2.3
179.07004	7.1
180.04324	3.1
185.06100	1.4
187.09883	1.9
187.11412	2.6
191.05640	94.0
192.05986	1.6
217.10912	2.2
221.06534	1.9
237.05643	2.5
259.11810	2.1
265.05289	2.1
267.06793	4.4
286.04639	1.5
293.04568	8.0
295.09677	1.6
296.10873	1.8
299.18643	1.9
307.08456	4.4
308.09076	18.5
325.07184	11.5
326.07904	1.6
329.27060	2.0
340.09604	6.4
343.08295	8.0
351.07614	4.8
352.08124	15.5
353.08722	6.8
355.11749	13.6
355.25128	3.9
373.22382	2.9
373.26224	9.5
403.23926	2.2
417.15942	1.4
475.22116	1.7
485.11188	3.2
491.32724	2.8
503.17184	3.2
517.30646	5.2
534.29816	2.7
535.18805	2.9
535.31622	63.3
536.32666	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49242	5.7
59.01381	100.0
60.11829	6.4
69.99756	13.8
70.00089	7.6
71.01384	51.6
85.02962	16.2
89.02448	71.7
91.01943	7.8
93.03455	7.2
95.01375	8.9
98.22603	7.5
101.02467	26.0
111.00862	7.0
113.02447	22.9
119.03527	45.5
121.02956	9.6
125.02461	27.0
127.06949	6.0
131.03542	14.7
137.02448	10.3
143.03476	8.9
149.04564	9.7
151.04018	55.1
161.04587	10.4
179.05673	21.5
191.05591	10.7
221.06715	15.8
263.07684	7.8
323.09918	33.4
403.11880	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	535.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.4
61.98836	2.4
65.66158	1.1
71.01387	5.5
73.02964	2.5
82.95422	7.8
85.02946	2.3
87.00909	1.8
89.02458	3.9
93.03478	3.5
101.02451	4.3
103.70219	1.5
108.02168	6.4
109.02969	3.6
113.02438	2.8
121.02986	15.3
122.03793	1.9
123.04536	4.9
133.02998	3.0
134.03729	4.9
135.04550	11.2
136.05345	1.4
137.02396	2.2
138.03169	1.5
145.02989	2.3
146.03755	2.2
147.04532	17.1
149.06119	2.6
158.03723	1.7
159.04518	6.2
160.05318	7.2
161.04709	1.8
161.06055	2.4
162.06830	1.5
164.04788	2.6
173.04655	1.7
173.06061	2.0
175.07671	6.0
177.05600	3.8
178.02686	3.4
178.06358	4.1
179.03563	2.9
179.07137	1.6
191.05629	10.8
192.07915	2.2
193.05078	13.2
223.07617	1.4
225.05490	1.6
237.05545	2.0
239.07220	3.1
240.04294	2.2
241.08786	1.9
252.07782	2.3
253.05048	2.4
253.08568	1.9
254.05997	1.3
255.06699	9.4
265.08762	1.8
266.05963	1.7
267.06650	16.5
268.07382	11.6
269.08185	26.0
280.07437	5.2
280.10907	1.5
281.08264	8.0
282.08749	1.9
283.09760	19.3
284.10510	5.5
295.09717	7.6
296.10571	5.0
298.08621	2.5
298.12082	5.6
299.12842	4.0
300.06393	1.5
308.09317	2.1
310.08704	1.7
311.09338	19.1
325.07217	2.3
325.10754	1.9
328.09494	9.6
329.13947	31.7
330.14359	1.6
339.08881	1.4
340.09503	30.0
343.11887	100.0
344.12192	5.8
351.18649	1.3
355.11899	69.8
356.12274	4.9
373.08704	1.0
373.12958	27.5
374.13245	1.7
464.17584	1.4
535.18176	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	535.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
55.19720	1.3
57.03455	100.0
59.01384	27.6
60.37463	1.2
61.98826	2.9
68.99826	1.6
70.67769	2.7
71.01390	10.1
72.99322	1.6
73.02952	4.3
81.03437	1.9
82.95427	3.2
83.01358	1.5
85.02958	3.9
87.00881	1.9
88.98811	2.4
89.02454	8.4
89.07121	1.2
95.01449	1.8
98.22674	1.6
99.04533	64.0
101.02452	30.0
105.03487	1.6
108.02179	2.4
109.02967	1.5
113.02448	1.9
119.03527	1.7
121.02909	2.2
123.04564	2.1
125.02475	13.0
134.03763	2.5
135.04503	5.1
143.03517	2.3
145.01485	2.5
147.80519	1.2
149.02412	3.1
150.03262	3.9
152.21274	1.4
160.01770	1.5
161.02434	3.5
161.04567	71.0
163.04013	3.3
164.04802	1.3
165.05582	2.9
175.04051	3.6
176.04837	2.3
177.01973	1.9
178.02745	2.8
178.06483	1.6
179.03468	1.4
179.05608	1.5
186.03316	1.4
187.03972	3.8
189.01959	1.6
193.05133	6.5
201.05560	1.9
204.04370	1.9
207.06633	2.5
225.05557	1.4
237.05635	1.9
237.07814	1.3
239.07256	2.0
240.04277	12.3
241.04919	1.6
243.53133	1.3
249.05479	1.6
253.05142	3.3
255.06595	3.4
265.05075	3.2
266.05728	2.1
267.06705	7.5
269.04745	2.4
269.08194	2.2
278.45935	1.3
280.07343	2.7
281.04523	2.0
281.07870	1.9
283.06076	5.4
285.04120	1.7
295.06131	14.1
298.08481	14.6
310.08514	14.6
313.07318	2.8
313.10757	27.0
314.11450	1.9
325.07123	5.2
325.10825	15.8
328.09583	6.7
329.13962	3.8
340.09610	7.9
341.09982	2.0
343.11908	28.8
355.11844	31.0
356.12207	1.9
361.12924	12.9
373.02423	1.4
373.12924	26.4
391.14194	1.5
403.13989	2.0
415.13986	6.1
455.17490	3.2
475.21939	3.2
535.17181	3.4
535.24487	2.3
535.31464	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	535.1824
Annotation	Phellavin
Peak:m/z	Relative Intensity
50.54880	0.5
50.82537	0.5
52.61467	0.5
57.03455	0.7
59.01385	19.5
59.81409	0.6
61.98844	4.0
69.31680	1.6
69.32090	1.5
71.01389	12.9
72.99312	0.9
73.02953	2.5
74.99111	0.8
82.95444	1.0
83.01404	1.1
85.02973	4.2
87.00883	1.3
89.02453	16.5
93.03474	8.4
95.01426	0.8
99.00970	0.7
101.02455	8.8
104.32400	0.5
108.02220	0.8
113.02453	6.6
119.03520	9.1
119.04958	0.5
121.02963	1.5
122.03753	0.5
127.66808	0.5
131.03531	1.1
134.03772	1.5
135.04533	7.8
136.01698	1.5
136.99081	0.8
137.02464	23.0
143.03543	1.7
145.02971	4.4
146.03764	11.5
147.04530	0.8
149.04567	1.0
151.04025	0.7
159.04504	1.1
161.02513	2.3
161.04588	2.0
161.06099	3.4
163.03998	0.9
164.04832	7.3
165.05409	0.8
175.03999	0.9
177.01961	0.9
178.67795	0.6
179.03613	1.8
179.05629	3.1
179.07187	13.3
191.05605	4.0
193.05162	0.8
195.06619	0.8
211.07690	1.5
221.06236	0.9
225.05576	1.4
225.09225	1.0
235.05879	0.6
238.06439	1.3
239.07217	4.0
251.07275	0.6
252.07796	0.9
253.05182	2.6
253.08723	4.6
263.07178	2.5
264.07956	2.4
265.05164	0.7
265.08694	2.5
266.05893	2.1
266.09183	1.0
267.06638	24.8
267.09818	1.4
268.07407	3.1
270.32367	0.6
279.10208	0.7
280.07489	10.5
281.08215	16.7
282.08813	0.9
284.10648	0.7
285.03983	0.9
295.09756	16.6
296.10504	6.6
310.08585	1.1
311.09262	0.8
311.13104	1.2
312.09894	1.1
313.07275	0.5
322.08350	0.9
323.09195	2.1
325.07281	4.8
337.11075	0.7
339.08670	0.7
340.09537	40.7
341.10010	1.8
343.08319	0.8
355.11911	100.0
356.12219	5.5
373.13034	1.1
420.63644	0.7
446.88455	0.6
472.12695	0.6
535.18414	11.3
535.31488	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	535.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62591	0.8
57.03447	1.0
57.28846	0.9
59.01385	34.1
61.98825	1.1
65.45695	0.8
69.38572	3.6
70.20779	0.7
71.01387	17.5
73.02944	3.5
82.95403	1.4
83.01398	1.8
85.02951	5.7
87.00871	2.5
89.02456	15.9
92.62840	0.9
93.03478	4.5
95.01401	1.4
98.21886	0.9
99.00977	0.8
101.02450	10.0
103.57644	0.9
104.05053	2.3
106.06629	2.8
108.02181	1.2
108.04548	4.3
109.02986	1.2
111.04517	0.9
113.02462	5.2
116.02294	0.7
116.75267	0.8
119.03492	5.2
122.06144	1.0
123.00908	1.4
128.03445	1.0
129.25307	0.8
131.03506	1.4
132.04568	34.9
133.02983	1.1
134.03813	1.2
134.06128	24.4
135.04555	6.5
135.06503	1.2
137.02437	1.2
144.04579	1.9
148.04050	1.0
149.04573	5.1
150.03232	1.4
151.03932	1.3
152.07182	3.2
158.02542	0.9
158.06099	2.6
160.01634	2.4
160.03961	0.9
164.04846	0.9
173.04518	6.2
175.04016	1.5
176.03535	7.5
177.05379	1.1
179.03543	2.3
188.03540	2.6
190.05180	4.0
191.05621	16.6
246.86603	0.8
251.07715	0.9
251.11905	4.2
255.11368	2.3
267.11401	1.2
279.11438	14.4
280.11530	0.8
295.10986	2.7
308.08957	1.3
313.10739	1.7
314.12402	2.9
323.10434	7.8
325.07248	1.7
329.13748	1.0
343.07977	1.0
373.12967	4.2
398.08514	0.9
400.92749	0.9
431.18231	1.2
435.18030	5.1
435.29504	0.9
447.12854	1.5
459.17731	15.3
460.18161	1.1
475.17175	3.1
503.16766	100.0
504.17065	6.0
517.18323	6.7
535.19507	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	535.1979
Annotation	Lappaol A
Peak:m/z	Relative Intensity
52.22929	2.4
59.01394	3.9
61.98846	3.7
68.27114	2.5
70.21349	3.2
70.21672	4.3
74.21938	2.2
108.02177	21.3
109.02953	3.9
121.02957	4.5
123.04537	15.7
128.89906	3.2
135.04530	6.3
136.01675	72.4
137.02509	7.0
146.03680	3.1
147.04581	3.8
148.05331	3.6
149.02437	4.1
150.03233	7.3
151.04027	63.0
161.06050	5.5
162.03276	3.7
163.04126	3.6
172.05374	4.7
173.06094	4.0
175.04010	5.4
176.04805	2.7
177.05611	7.9
187.07626	3.3
189.05589	8.1
190.06380	4.7
191.07121	4.7
193.05110	6.1
195.72603	2.7
221.06320	3.2
251.06903	2.7
253.05142	6.0
266.05991	3.4
269.04517	10.5
279.06613	3.9
280.07422	5.9
281.04584	16.8
281.07895	4.9
284.06793	6.3
295.09714	4.8
296.06949	21.0
296.10306	5.1
299.09427	5.8
311.09213	22.2
321.07700	4.8
323.09351	3.7
324.10037	4.5
328.48499	3.2
336.10068	5.1
339.12357	7.2
355.12134	4.7
356.12756	5.5
399.14682	18.1
427.12167	4.3
457.12656	5.1
472.15427	5.4
475.18085	21.7
481.89810	2.8
487.18588	28.4
488.17908	2.9
490.15970	3.2
502.16382	14.6
505.18765	64.0
506.18964	3.9
517.18683	100.0
518.19275	7.6
535.19788	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22660	6.6
53.46273	6.2
59.01381	29.3
60.00972	6.0
61.98829	27.3
63.50716	5.9
63.96655	6.2
65.94969	6.7
71.01390	11.9
72.99309	24.0
80.15314	6.6
83.65703	6.9
96.95979	7.8
98.21865	13.4
106.40395	6.0
108.02204	12.7
111.40855	6.7
121.02955	12.2
145.02951	31.8
159.04581	12.0
160.05301	30.4
160.41354	6.7
163.04025	9.5
175.03970	9.2
176.04767	9.8
177.05608	15.8
178.06371	22.4
188.04854	13.2
191.07133	28.0
203.07108	34.9
205.08749	7.4
206.05846	16.6
221.08214	72.4
237.05606	10.2
245.25577	7.1
261.05383	11.3
277.04874	10.4
289.04871	11.7
290.05853	8.2
293.08463	7.8
322.08609	8.2
323.09253	32.2
337.10928	14.0
338.11664	15.7
367.10107	14.9
381.13715	35.2
396.09756	11.3
411.12680	8.6
427.12048	39.0
439.11826	30.0
440.12466	8.8
441.14011	9.5
442.14496	16.2
445.16730	34.2
449.27762	8.9
451.11459	7.9
454.14191	18.7
457.17377	69.0
459.18207	11.3
469.17145	59.6
471.18362	17.4
475.17566	26.7
481.16425	12.6
484.15714	9.9
487.17596	100.0
491.28506	16.6
499.17789	95.9
505.18726	27.1
517.18817	71.4
535.31067	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55844	2.6
59.01383	100.0
59.69800	2.5
71.01385	48.1
73.02950	9.7
79.51654	2.8
85.02956	7.7
87.00894	6.2
89.02452	72.9
97.09518	2.6
98.22613	6.8
98.93357	2.8
99.00887	12.4
101.02447	41.3
104.05085	4.4
113.02470	12.8
119.03484	8.2
124.10780	3.1
125.02460	4.1
131.03487	8.6
132.04576	29.5
134.06131	22.4
135.04538	3.5
149.04581	57.7
160.04092	3.8
161.04562	4.5
176.03557	9.0
191.05586	17.5
203.02538	2.8
221.06624	6.5
251.07651	4.3
251.11942	6.0
279.11328	12.5
295.10858	4.8
311.09796	3.7
314.12354	3.5
323.10519	5.7
400.81232	3.1
403.11478	3.6
435.17725	4.8
459.17807	18.0
503.16797	99.1
504.16986	8.5
517.18237	5.3
522.88184	3.0
535.18945	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	535.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
58.77178	1.6
59.01383	69.9
61.98833	6.5
64.77350	1.4
67.16594	1.5
69.57896	1.4
71.01389	46.4
72.99310	2.3
73.02956	8.2
82.95426	1.9
83.01405	3.9
85.02959	12.1
87.00879	7.0
87.69280	1.5
89.02454	55.1
93.03462	2.7
95.01409	3.0
95.08385	1.4
96.96037	2.0
97.02959	2.8
99.00893	4.3
101.02458	34.9
104.05022	2.5
109.02980	5.2
111.00849	3.2
113.02460	13.3
117.03500	1.7
119.03509	9.0
123.66386	1.7
125.02460	5.7
131.03522	17.4
132.04564	26.6
134.06116	13.3
135.04561	7.7
137.02419	3.1
143.03548	2.3
146.03766	1.7
149.04576	20.1
151.00371	2.2
159.04491	2.1
160.01709	2.6
161.02480	2.7
161.04501	2.9
164.04828	2.2
176.03516	4.1
177.03445	1.9
178.02676	1.9
179.03490	3.5
179.05658	2.1
179.07118	4.0
191.05609	19.2
193.05077	4.5
199.03986	1.7
251.11821	3.3
259.06134	4.0
269.04608	4.5
279.11398	13.7
295.10938	2.0
323.10266	3.2
343.17654	6.6
373.09521	2.5
378.80051	2.0
435.17764	2.0
459.17749	17.0
475.21918	100.0
476.22723	3.0
491.12515	1.9
491.20322	5.8
503.16766	41.9
504.16962	3.8
535.19189	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	535.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78966	29.0
61.98835	37.9
69.16000	100.0
69.16406	73.6
69.55709	29.6
79.41194	23.3
80.63923	23.8
82.19741	26.8
122.89501	30.8
124.74489	33.0
190.08614	27.6
200.73283	26.5
371.92908	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61908	87.2
61.98845	100.0
78.95955	85.9
196.59244	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
57.03446	1.4
58.00611	1.6
59.01386	100.0
60.01720	0.4
61.98832	0.5
62.40584	0.3
67.01868	0.3
69.36159	1.6
71.01389	50.8
72.01732	0.4
72.99315	2.0
73.02956	3.0
75.00879	2.7
81.03467	0.3
83.01388	3.1
85.02959	11.4
87.00886	2.8
89.02457	66.5
93.03500	0.5
95.01404	3.4
96.96024	3.5
97.02988	0.4
99.00892	1.7
99.04533	0.4
101.02457	33.8
109.02993	1.6
109.82104	0.3
111.00897	0.4
113.02462	21.6
119.03516	31.2
125.02431	0.8
129.03528	0.3
131.03508	3.5
131.15984	0.3
132.04543	0.4
133.02939	0.5
135.04532	1.8
137.02449	0.8
143.03499	5.3
145.02933	0.6
146.03819	0.6
147.03270	0.5
147.04533	4.0
149.04579	3.2
155.10815	0.4
159.02931	0.6
159.04494	0.9
160.01707	0.7
161.02470	0.6
161.04573	5.1
179.03716	0.7
179.05635	9.6
179.07182	0.8
191.05632	7.4
192.05959	0.4
195.05042	0.7
223.13309	0.4
229.01366	0.9
267.06668	2.0
269.08282	1.3
277.05115	0.4
293.04526	0.7
295.05994	0.5
313.07294	0.9
325.07248	0.7
339.05139	3.2
340.05353	0.5
355.21310	0.9
373.13000	0.6
373.22339	1.0
415.66049	0.3
475.21957	0.7
535.10718	1.1
535.27667	46.1
536.27832	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	535.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
61.90881	0.2
64.64239	0.2
66.40891	0.2
66.95930	2.3
69.53823	0.1
69.54143	0.9
71.01385	1.1
73.02950	0.3
73.63605	0.2
80.91692	1.4
82.95423	100.0
83.02525	0.3
85.02953	0.4
87.00875	0.2
89.02472	0.6
93.03449	0.2
95.01410	0.2
98.22629	0.4
101.02473	0.9
113.02435	0.6
119.03474	0.3
121.02885	0.2
123.04477	0.2
131.89246	0.2
133.02901	0.2
133.37123	0.2
134.03786	0.3
135.04541	0.6
147.04521	0.5
150.03142	0.2
159.04544	0.2
160.05281	0.3
161.02478	0.2
161.04555	0.5
175.07661	0.2
179.03542	0.3
179.05661	0.3
191.05664	0.7
221.06668	0.3
224.52940	0.2
265.87344	0.2
268.07339	0.2
283.09653	0.4
313.10843	0.2
325.10760	0.2
329.13989	1.2
340.09567	0.3
355.11951	0.7
373.13000	0.5
502.78879	0.2
535.18866	0.4
535.27826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3127
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01884	0.8
57.03438	1.7
59.01385	50.7
61.98831	3.4
71.01389	8.6
73.02953	5.2
83.01402	3.2
85.02956	5.8
87.00888	2.1
89.02470	0.9
93.03479	2.4
95.01431	1.0
99.00893	1.5
101.02462	10.4
107.04965	0.6
108.02186	0.5
111.00886	1.0
113.02465	4.3
116.20969	0.5
121.02944	0.9
123.08167	1.4
125.02428	0.7
129.01939	0.9
143.03458	0.6
149.02454	1.4
152.01164	0.9
159.03014	1.2
161.04578	1.0
167.03539	1.0
173.04559	1.5
195.47414	0.5
229.08746	3.8
277.21729	2.4
295.22849	1.2
326.11478	0.6
355.41879	0.6
362.19510	1.0
403.23285	0.6
439.27054	2.6
457.28049	4.8
475.29138	3.7
505.18393	0.9
517.30347	1.0
535.31287	100.0
536.31604	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	535.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07979	1.2
54.78943	1.1
59.35225	1.1
90.39285	1.2
96.20414	1.4
98.21812	2.4
99.16754	1.2
100.50978	1.3
114.23502	1.4
242.63155	1.4
407.33310	3.9
453.33771	100.0
454.34244	6.2
535.34131	56.7
535.42444	2.2
536.34692	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	535.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38371	1.0
61.98830	0.9
62.12447	0.7
63.24655	0.7
69.18330	3.5
78.95883	1.1
80.72856	0.7
91.76733	0.9
109.17589	0.8
117.55395	0.8
118.84647	0.9
196.89499	1.1
248.08478	0.8
250.56761	0.9
453.33752	100.0
454.34088	6.1
532.05060	0.8
535.34070	40.0
536.34448	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	536.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
61.98834	100.0
62.30535	0.6
69.09237	4.3
94.27467	0.5
218.41426	0.6
219.80913	0.7
227.03876	0.6
240.04333	1.0
268.03809	10.5
269.04428	2.8
473.10910	12.2
551.38959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
61.98837	100.0
67.26884	0.4
69.19228	3.0
69.96984	0.5
71.01390	0.8
75.00900	0.4
88.29050	0.4
88.92859	0.5
93.03528	0.6
100.19321	0.5
101.02469	0.5
105.26416	0.4
121.03018	0.5
121.96265	0.5
133.03011	0.8
227.03510	7.3
229.05083	0.9
255.03023	10.2
256.03601	1.2
270.58093	0.5
284.03311	11.6
285.04080	11.1
363.20233	0.5
399.45886	0.6
438.59506	0.5
439.18256	0.4
457.92075	0.5
473.10950	19.6
474.11343	1.3
535.31689	0.9
536.31921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21172	0.6
54.83381	0.7
55.68412	0.6
57.03435	0.6
59.01388	3.2
60.99308	15.0
65.28226	0.6
67.58262	0.5
71.01375	1.8
73.02951	0.7
75.00858	0.6
79.53886	0.6
82.95422	1.1
83.01415	0.7
84.95143	2.4
88.98815	91.1
89.02450	1.5
101.02505	1.7
102.98546	0.7
113.02509	0.8
119.03539	0.7
121.02955	1.2
133.03003	2.1
134.03763	1.0
147.97935	0.5
149.02440	1.2
151.00388	1.9
161.02419	1.3
161.04579	0.9
164.89244	0.6
175.03944	0.6
177.01964	1.0
193.05054	1.9
193.84976	0.7
194.06081	0.7
211.04189	0.9
256.03851	1.3
284.03284	40.5
285.04068	80.9
286.04504	3.4
327.04898	1.3
345.13416	3.6
357.13391	2.3
447.09363	100.0
448.09631	4.3
537.19617	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	537.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65455	3.8
59.01384	42.4
61.98832	59.0
65.98769	3.0
66.65911	3.2
69.03394	3.0
71.01388	19.2
73.02937	8.1
78.32007	3.1
78.63911	3.1
85.02972	8.3
89.02444	18.8
96.95997	19.2
99.79221	3.1
101.01017	3.3
101.02461	14.6
108.02177	16.1
113.02451	7.7
119.03483	7.1
123.04514	8.5
123.06493	3.7
125.02423	5.7
131.03773	11.8
132.04546	12.5
133.02975	24.6
134.03764	30.8
134.99869	2.9
135.04521	64.3
135.98349	9.9
137.02486	15.4
139.04019	6.6
148.01619	4.2
149.04626	4.6
149.06070	3.4
150.03201	4.1
151.03981	4.5
152.01184	25.2
152.07191	9.8
160.04063	23.4
161.02467	46.3
161.04538	4.0
167.03500	61.4
168.00612	3.9
176.01155	16.6
177.01959	29.0
178.02690	4.5
179.03522	58.7
184.39575	3.6
190.02702	12.7
191.03488	9.3
193.05096	5.7
194.92790	3.7
205.01384	4.6
205.05086	3.7
218.02048	6.1
223.07613	6.5
233.04543	8.6
241.08681	4.9
250.08691	6.3
296.11102	4.1
319.78647	3.1
331.11896	62.7
331.15396	3.8
332.12140	4.8
359.11365	9.9
360.11868	4.1
373.25784	3.2
374.13721	30.1
375.14554	40.1
417.15161	3.4
439.10605	8.0
461.18875	8.9
474.14069	100.0
475.14328	8.5
477.23419	8.7
504.04007	7.0
505.18164	8.7
507.06369	12.0
519.06555	11.1
537.11816	6.2
537.19153	64.6
537.32690	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
59.24998	0.6
61.98836	100.0
62.57393	0.6
66.23132	0.6
71.01383	0.7
72.52940	0.7
96.96028	0.7
103.47749	0.6
106.34344	0.6
127.53414	0.7
203.92509	0.7
227.06731	0.9
267.06842	1.7
282.08969	1.4
297.11417	2.8
327.12561	1.7
340.21973	0.8
375.08163	0.6
375.14673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1617
Annotation	Alboside IV
Peak:m/z	Relative Intensity
59.01382	5.7
61.98837	0.6
62.97780	0.4
65.32249	0.6
67.17474	0.5
69.41651	2.7
71.01380	4.1
72.44967	0.5
73.02965	1.8
75.00854	0.7
76.03768	0.5
85.02994	0.9
86.54730	0.5
86.61077	0.5
87.00896	0.6
89.02448	3.5
92.11606	0.5
93.03456	0.8
97.02987	0.5
99.00904	0.9
99.56640	0.5
101.02463	2.3
105.03478	1.2
107.05054	0.8
109.02974	1.2
113.02393	1.3
117.03485	0.7
121.02966	1.8
122.03745	2.9
123.04508	0.6
132.02182	2.0
133.02971	34.9
134.03784	3.5
135.04538	27.8
136.01683	1.7
136.04807	0.7
137.02463	1.6
149.02451	0.9
149.04576	2.2
149.06116	1.5
150.03235	24.9
151.03998	2.4
153.09167	0.7
159.04549	0.7
160.01733	0.5
161.02455	100.0
162.02823	2.0
165.05582	24.0
173.06180	0.7
175.04039	1.7
177.01950	0.9
177.05582	3.6
178.02687	0.6
179.03508	17.4
180.04089	1.0
182.71216	0.6
187.03935	0.6
193.05011	0.6
195.06673	0.8
201.11351	0.6
203.03510	1.4
221.04607	4.9
263.05655	1.3
267.06625	1.5
279.06711	1.0
282.09048	1.3
283.05902	1.4
293.95984	0.6
297.07819	0.9
297.11252	3.0
298.08417	0.7
312.10013	0.7
313.10773	1.7
323.07742	39.8
324.08035	2.6
327.12366	4.1
339.08676	0.7
345.13367	2.1
357.09702	0.6
537.16156	76.4
538.16449	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	537.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81230	3.3
55.01865	4.9
57.03465	6.4
59.01386	81.2
61.98843	24.6
63.96242	25.3
69.03465	3.5
69.15352	9.6
69.15757	10.1
71.01394	48.7
72.99323	18.6
73.02956	19.7
73.98332	5.1
74.99109	12.9
75.00858	4.3
78.91891	3.4
83.01401	6.7
85.02964	21.9
87.00890	12.5
89.02453	30.0
99.00862	5.0
101.02465	33.3
108.02173	6.3
109.02960	4.3
111.00897	5.6
113.02495	18.5
113.03188	3.4
117.97306	16.3
119.03535	8.1
133.03040	6.2
135.04572	6.6
135.98372	68.0
136.99121	10.6
137.02481	4.4
145.02933	9.7
149.04623	5.4
152.01176	9.2
155.10786	3.5
160.04007	5.4
161.02477	5.2
161.04558	8.3
163.04031	4.3
167.03526	6.2
175.07758	3.5
177.01968	17.0
183.54919	3.3
266.05981	4.0
267.06656	6.4
281.08267	4.4
285.04004	10.6
293.08990	4.1
297.11353	6.9
310.65195	4.1
345.13312	4.9
345.19617	4.3
364.61786	3.9
375.20258	6.8
375.27426	8.4
404.38306	3.6
477.24185	31.9
489.19424	20.9
537.23730	20.9
537.32654	100.0
538.32593	4.9
544.99207	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	537.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01386	28.5
61.40103	1.7
64.08060	1.6
70.63480	3.4
71.01389	20.7
73.02973	4.8
85.02938	3.1
87.00869	2.0
89.02457	24.1
92.90952	1.5
93.03461	2.0
95.08528	1.9
99.00875	4.5
101.02457	10.6
108.02228	1.9
109.02975	22.0
113.02469	7.0
119.03500	3.9
121.02975	3.8
122.03835	2.3
125.02464	3.2
131.03534	5.4
135.04503	2.6
136.01686	11.8
137.02472	1.9
145.02972	2.1
146.03723	2.7
149.02457	11.3
149.04524	10.9
149.09770	2.0
150.03246	15.3
151.04021	13.7
156.52258	1.6
159.04448	1.8
160.05342	1.8
161.04553	3.2
161.06104	2.7
164.04805	2.8
165.05559	12.5
167.10777	4.2
168.03107	2.5
171.10255	3.3
172.05339	2.0
175.04041	1.8
176.04829	4.4
179.05656	5.1
189.05643	3.7
190.06364	3.2
191.05579	4.0
191.07188	5.3
195.06624	5.6
201.11394	3.8
216.21295	1.6
237.08116	1.7
239.07173	3.7
250.06348	2.1
266.05804	1.9
267.06644	45.7
268.07202	3.0
279.06763	7.3
282.09000	43.1
283.09546	2.0
294.09058	4.9
297.11346	100.0
298.11813	3.5
312.10071	14.9
327.12427	78.7
328.12695	4.7
345.13416	43.5
346.13834	2.7
357.13287	9.1
375.14450	41.6
387.23926	2.4
405.24945	3.8
489.17212	2.3
493.18842	2.1
537.18872	2.7
537.25586	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95012	0.8
59.01385	12.0
61.98842	1.2
70.31562	0.7
71.01388	8.3
72.19025	0.8
73.02956	1.8
78.95895	0.8
81.03462	1.2
85.02968	2.2
87.00878	1.3
89.02457	10.1
101.02447	5.3
108.02201	1.1
109.02963	12.3
109.53555	0.8
111.00886	1.1
113.02482	2.9
119.03539	1.4
119.55585	0.9
121.02924	1.7
123.00986	1.1
131.03532	1.8
136.01692	10.3
137.02432	1.0
141.09384	0.8
145.02983	1.3
146.03722	3.1
147.04555	1.0
149.02452	2.9
149.04546	1.8
150.03255	2.3
151.04018	10.3
158.03656	1.2
159.04541	1.4
160.05280	1.4
161.02509	1.1
161.06104	2.1
164.04778	0.9
165.05634	2.9
169.04662	0.9
172.05357	1.2
173.06165	1.2
175.04002	5.9
176.04814	5.2
179.05656	1.3
181.12331	1.4
185.08238	3.1
187.04079	1.3
188.04803	0.9
189.05617	6.6
190.06386	5.4
191.05678	1.5
191.07156	7.2
195.06645	2.1
209.98618	0.8
225.11375	2.4
233.05989	0.9
243.16084	2.3
251.07147	2.3
261.05481	1.0
266.05872	1.2
267.06677	8.7
278.06094	1.4
279.06677	10.5
281.08307	1.0
282.09061	5.5
293.08484	2.3
294.08972	7.7
297.07706	4.4
297.11362	14.0
309.11246	2.0
311.09161	0.9
312.10080	18.3
315.12387	2.4
324.09970	1.3
327.12415	100.0
328.12698	6.1
339.12329	6.1
345.13419	11.8
357.13492	15.0
375.14694	8.3
405.17493	2.2
429.16806	0.9
496.83029	1.0
537.18500	1.2
537.26031	5.7
549.67255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28445	0.6
59.01371	2.9
61.98831	1.0
64.57496	0.7
67.30755	0.6
69.04588	4.9
71.01385	2.8
73.02960	0.8
78.95906	1.0
85.02914	0.8
89.02451	1.6
89.95852	0.7
93.03458	0.8
95.05016	0.7
97.56896	0.7
101.02446	1.8
108.02174	1.8
109.02225	1.5
109.02966	26.6
113.02469	0.9
121.02973	2.9
122.03780	1.1
123.00887	0.9
123.04549	1.2
133.02980	6.7
135.04555	1.3
136.01671	14.6
137.02467	1.6
141.06737	0.8
145.02962	2.6
146.03712	3.0
146.06097	0.7
147.04510	1.2
149.02498	1.0
150.03247	1.1
151.04016	14.5
158.03745	1.2
159.04498	1.8
160.05312	1.9
161.02412	1.5
161.06097	2.6
163.04024	1.2
164.34819	0.7
165.05566	0.9
171.04514	1.8
172.03984	0.7
172.05318	2.4
173.06038	1.0
175.04041	6.3
176.04750	5.6
177.01927	2.9
177.05495	0.7
189.05582	6.6
190.06340	4.9
191.07169	6.7
193.04961	0.8
223.07593	1.2
235.07747	0.9
239.07196	4.6
249.05530	1.8
250.06332	1.7
251.07170	3.0
261.05551	2.3
262.06128	0.8
266.05774	1.8
267.06641	49.2
268.07028	2.1
278.05835	0.9
279.06613	9.3
280.07068	1.0
281.08151	1.7
282.08987	44.7
283.09317	1.4
293.08243	1.3
294.09055	5.9
297.11319	100.0
298.11737	4.8
309.11328	1.1
312.10043	14.6
313.10605	0.8
315.12433	1.9
327.12399	72.4
328.12823	3.4
345.13443	51.9
346.13925	2.0
357.13483	12.3
375.14523	59.6
376.14761	3.4
440.20483	0.7
472.04666	0.8
512.90045	0.8
537.20966	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97945	0.8
59.01387	10.3
61.98847	1.2
66.46615	1.0
71.01386	5.8
71.72553	0.9
73.02950	3.0
73.17495	0.8
85.02958	2.1
87.00886	2.7
87.04507	1.3
89.02457	6.1
99.00903	1.6
101.02469	4.0
108.02177	1.3
109.02964	9.9
113.02444	1.3
114.42303	0.9
114.77271	0.8
119.03484	0.9
121.02984	2.6
122.03739	2.0
125.09767	1.7
131.03468	1.2
135.04543	1.2
136.01665	8.5
145.02953	1.6
146.03763	2.6
147.04480	1.6
149.04543	3.7
150.03265	1.2
151.03999	7.5
158.03709	1.4
160.05360	1.1
161.04579	1.1
161.05997	1.6
165.01863	0.9
165.05548	1.8
171.10294	6.3
172.05339	2.0
173.06108	1.0
175.04041	7.2
176.04832	6.9
180.02563	1.1
189.05626	5.0
190.06401	5.3
191.05576	2.5
191.07137	9.2
201.11330	5.8
203.12871	1.7
221.06596	1.0
233.13913	1.5
243.15999	1.4
250.06383	1.0
251.07126	3.8
262.06403	1.1
266.05881	1.6
267.06622	8.5
279.06619	12.0
280.07642	1.0
281.08124	2.4
282.09012	5.2
293.08194	1.9
294.09027	8.1
296.10532	2.5
297.07742	2.7
297.11285	14.0
309.11395	2.8
312.10086	16.4
313.10654	1.1
324.63049	0.9
327.12415	100.0
328.12704	5.8
345.13406	7.7
357.13489	16.8
375.14526	10.9
379.39627	0.9
387.23636	4.5
405.17007	1.4
405.25189	10.9
537.15393	1.0
537.26367	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	537.1982
Annotation	Bidenlignaside B
Peak:m/z	Relative Intensity
55.01871	3.0
57.03441	1.2
59.01384	61.6
61.98816	1.9
71.01384	42.9
72.99289	1.5
73.02959	8.1
75.00874	1.3
78.38113	0.8
83.01394	3.9
85.02950	15.4
87.00880	2.7
88.86326	1.1
89.02455	43.6
90.02773	1.1
93.03458	3.2
95.01387	3.3
95.20416	1.1
99.00892	2.7
101.02442	22.4
105.25676	0.9
108.02169	4.3
113.02457	21.4
119.03517	18.5
121.02982	10.0
122.03758	12.2
123.04546	4.4
125.02443	1.4
131.03474	3.4
133.02968	3.1
134.03741	7.0
135.04509	3.4
143.03459	4.8
147.03056	1.6
147.04460	1.3
149.02449	55.6
149.04401	2.1
149.06085	1.7
150.03239	83.6
151.04019	2.1
159.03021	1.4
161.02429	3.4
161.04576	12.0
162.03198	2.4
163.04079	1.6
164.04816	17.8
165.05580	80.2
166.05930	2.4
168.03069	1.1
177.05579	2.3
178.02797	5.2
179.03407	2.2
179.05641	19.8
179.07130	2.0
180.04373	5.4
180.05753	1.1
193.05090	12.2
195.06638	41.1
226.92395	0.9
282.08868	2.2
283.09659	2.7
297.07703	1.4
312.10098	15.9
323.14850	1.0
327.12384	100.0
328.12720	4.0
341.10245	5.0
345.13327	1.1
357.13306	1.2
375.14532	2.5
489.17780	11.5
490.18805	1.1
507.18671	7.4
519.18201	2.1
537.19965	27.2
538.20392	1.7
552.96722	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1983
Annotation	Bidenlignaside B
Peak:m/z	Relative Intensity
55.01885	1.6
59.01385	13.6
61.98830	3.4
67.12039	0.9
68.99822	11.4
69.21038	5.1
71.01380	9.2
72.99309	4.4
73.02965	4.9
80.02718	1.3
83.01392	1.3
85.02959	4.4
87.00880	1.8
89.02451	1.6
93.03467	3.3
95.01427	1.5
101.02461	7.1
105.65028	1.0
107.01445	1.7
108.02185	44.2
109.02972	7.5
113.02453	3.4
117.03475	3.2
121.02962	29.4
122.03820	5.3
123.00903	9.0
123.04537	32.5
123.05233	0.6
125.02422	1.1
129.67719	0.9
132.02205	4.9
133.02959	3.7
134.03760	2.3
135.04562	8.5
136.01706	1.7
138.03242	7.8
147.04553	1.5
148.01677	4.9
149.02454	12.7
150.03246	20.2
151.03976	2.1
153.05569	4.0
160.01637	2.1
161.02448	13.1
161.04565	1.2
162.03235	24.5
163.04022	13.9
164.04839	13.0
165.01889	1.2
165.05586	3.4
166.06364	6.9
177.01991	1.6
177.05588	35.7
178.02740	30.5
178.05980	1.4
179.03479	3.7
181.08710	4.5
191.05569	3.9
192.05878	1.6
193.05057	33.0
193.06744	1.7
194.05856	5.0
195.06665	4.8
209.08237	3.3
221.08098	5.7
258.10992	1.0
285.03992	1.8
298.08557	1.7
343.13971	1.5
345.13202	1.2
375.14569	4.6
383.13507	4.9
393.87775	1.0
458.18048	1.2
477.23148	3.2
507.18747	100.0
508.19037	6.8
519.18732	30.5
520.19293	4.5
537.19873	94.8
538.20111	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	537.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83881	4.7
57.03458	6.5
59.01383	100.0
61.98817	17.9
69.69884	18.6
71.01392	58.3
72.99288	4.8
73.02957	16.6
83.01392	12.0
84.21703	4.9
85.02965	18.5
88.98804	7.7
89.02441	75.6
93.03474	7.2
99.00882	9.9
101.02468	49.8
109.02950	8.2
113.02453	17.9
116.77242	4.8
119.03526	13.6
123.04555	6.0
131.03523	15.3
135.04526	9.3
146.03763	17.1
149.02536	6.4
149.04553	94.6
159.04478	5.5
160.04041	6.9
161.02386	7.7
161.04527	5.9
162.03189	6.1
163.04027	6.9
164.04829	11.2
165.05629	7.0
173.34160	4.7
179.03522	6.1
179.05690	8.3
179.07109	21.9
191.04097	4.8
191.05548	28.2
221.06667	9.1
251.07709	15.7
269.04608	9.2
285.04172	8.4
311.09790	10.9
331.17514	9.9
447.09045	5.5
477.23578	16.3
537.20984	72.2
537.29572	21.0
537.32129	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	537.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.4
58.00579	2.1
59.01382	91.3
61.98833	35.6
62.45070	2.2
69.03454	6.6
69.10252	14.4
71.01390	81.1
72.99319	7.3
73.02945	18.1
78.95904	3.6
83.01390	2.4
83.05015	3.6
85.02950	22.2
87.00888	3.4
87.04514	7.3
89.02451	81.4
93.03484	3.8
95.01371	4.4
96.96978	2.8
98.21811	4.5
99.00877	12.8
101.02452	49.3
102.27054	2.3
102.68139	2.6
108.02176	2.4
109.02975	4.7
111.04514	8.6
112.01655	14.3
113.02466	39.0
119.03505	17.2
125.02464	5.0
127.04015	11.0
131.03511	50.4
133.02959	3.4
134.03773	2.8
135.04523	5.0
143.03484	8.7
145.02943	4.4
149.02527	3.1
149.04567	68.4
150.03241	3.3
155.03522	4.9
160.01721	5.6
160.04016	14.1
161.04544	10.6
162.03174	3.3
163.04004	2.7
164.04742	3.1
165.05614	4.0
173.04599	18.5
175.03995	5.8
179.05586	4.5
187.75684	2.3
191.05630	32.0
192.05869	2.3
193.04771	2.8
193.06339	2.7
195.06656	4.8
208.03781	2.1
213.10023	2.8
221.06638	9.4
223.06145	6.8
251.07697	8.5
255.02789	3.0
269.04343	2.5
275.07742	100.0
276.08044	3.5
283.02423	3.5
284.03195	2.8
285.04077	25.4
293.08902	3.6
311.09610	8.3
357.13312	8.0
369.08731	4.2
384.09512	20.9
477.23535	10.3
483.14743	2.7
537.20953	44.0
537.29260	35.0
538.22046	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	537.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.1
59.14508	1.6
60.78799	1.4
61.98817	6.2
68.49046	1.3
69.19738	2.6
69.20139	6.4
71.01389	1.9
78.06780	1.4
80.15652	1.4
89.02413	1.4
94.73132	1.4
101.02451	1.3
105.63564	1.5
108.02174	1.4
109.02940	1.6
119.05054	1.8
121.02985	4.3
123.04491	1.8
124.01705	2.0
125.02448	2.9
134.03708	2.5
135.04530	6.3
145.02962	3.7
146.03801	3.3
147.04535	5.4
149.06071	1.7
150.03247	2.6
151.03954	1.8
158.03720	3.0
159.04486	7.7
160.05310	15.6
161.02348	1.9
161.06084	10.1
163.04028	7.3
164.04790	5.1
173.06087	3.5
175.07660	11.1
177.01927	8.3
177.05589	3.3
178.06372	6.7
179.07178	2.3
187.11237	2.4
192.07927	4.1
196.98590	1.5
209.06097	2.0
225.05592	1.9
226.06456	1.6
231.10277	5.1
237.05580	2.5
238.06306	3.9
239.07088	3.5
250.06378	2.0
253.04890	2.9
254.05824	4.0
255.06660	3.9
265.08716	2.4
266.05847	9.1
267.06628	17.1
269.04160	1.7
269.05310	1.6
269.08157	11.6
270.08929	4.0
272.63101	1.4
281.08179	20.9
282.09000	7.0
284.10419	2.2
289.44897	1.6
296.10513	1.9
314.07895	2.4
320.73245	1.4
331.11871	12.7
359.11310	1.5
371.15421	1.7
374.13821	7.1
375.14383	2.5
411.11752	1.6
429.13406	5.1
444.15790	6.2
447.18436	2.7
459.18454	7.5
474.16647	4.1
477.19208	65.7
478.19513	4.8
489.19189	100.0
490.19455	6.6
507.19797	4.7
519.20142	4.1
537.19342	11.3
537.28406	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	537.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68774	3.7
59.01381	5.6
61.27520	2.6
61.98827	4.6
64.61733	3.0
75.00879	3.2
95.07897	3.4
108.02183	7.5
116.67227	3.5
121.02963	11.4
126.50227	3.1
135.04547	11.6
145.02968	5.3
149.02370	3.4
152.01126	3.4
177.02014	3.4
180.07938	38.2
193.05080	3.9
195.10240	5.0
208.07425	12.4
223.09766	87.1
224.09903	3.6
243.06670	16.6
265.05176	5.0
266.06009	4.8
280.07413	4.7
281.08325	5.6
282.09198	3.8
296.10660	3.4
325.10892	13.5
339.12656	5.6
340.13367	3.4
383.14975	15.6
414.11050	3.7
417.13345	4.5
428.12866	3.9
431.14908	5.5
443.15009	4.7
444.12061	6.7
447.14386	4.1
459.14478	41.8
462.16785	19.3
471.14676	10.8
474.16861	24.4
477.19171	50.7
478.19849	4.7
486.16739	8.3
489.19205	100.0
490.19974	9.3
501.19336	23.0
507.20230	19.3
519.20294	40.8
537.18457	3.5
537.31042	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	537.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44921	2.9
54.47820	3.0
55.94981	2.9
56.33234	2.8
57.03457	4.3
59.01382	83.0
61.98837	77.7
62.30982	3.2
66.29533	3.1
71.01387	44.8
73.02967	15.6
78.02309	2.7
79.25335	3.4
83.01408	5.9
85.02962	15.2
87.00910	5.8
89.02451	40.9
92.02689	3.6
93.03465	38.0
95.01424	2.8
99.00896	11.1
101.02448	29.5
111.00887	3.3
113.02444	12.6
116.07774	2.7
117.97285	6.1
119.03503	7.3
120.99620	3.0
121.02984	13.5
123.04528	5.5
131.03514	9.1
133.02982	16.9
134.03761	26.6
135.04530	33.7
136.01616	5.4
137.02458	100.0
138.02815	2.8
139.04027	3.8
143.03529	5.1
145.03094	3.4
149.04547	14.5
161.02480	14.5
161.04599	5.8
163.06145	4.7
166.06390	39.8
177.02003	7.1
177.05547	4.2
178.02750	4.7
179.03513	32.1
179.07085	3.6
181.08719	13.2
191.05679	6.5
195.06656	17.7
241.08746	9.4
250.08804	10.2
267.06488	3.0
268.09796	5.4
269.04556	6.8
283.02393	4.2
285.03986	10.8
293.08719	3.9
294.07739	7.2
342.10309	3.5
343.13937	9.4
345.19165	3.7
355.10403	18.4
357.12360	9.0
396.41260	3.9
474.14047	42.4
475.14218	5.2
477.23535	69.7
537.19818	59.3
537.32727	23.1
538.20441	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	537.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87066	2.8
55.01900	2.8
55.08020	3.2
57.03456	12.4
59.01387	95.5
61.98832	22.4
66.05181	2.9
69.03455	3.2
69.80425	9.3
71.01395	48.0
73.02964	11.3
75.00895	3.5
75.85336	2.8
77.82352	2.7
82.95444	3.9
83.01414	7.6
85.02960	29.6
87.00893	9.5
87.04513	3.4
89.02453	32.5
89.64439	2.7
95.01408	9.1
96.00949	2.9
98.01427	2.9
98.22701	3.0
99.04557	9.7
101.02456	33.8
109.02941	3.3
111.00909	4.2
113.02472	35.2
116.92866	3.8
119.03525	9.2
119.05032	4.1
121.02962	4.2
123.00888	2.8
125.02471	10.7
132.76898	3.1
135.04587	3.3
141.06795	3.0
143.03625	4.2
161.04576	6.8
165.04048	4.4
168.00581	6.9
176.31473	2.9
177.02118	3.2
179.03522	4.5
179.05563	3.6
179.08226	4.0
183.14018	3.1
195.13986	10.4
213.14946	19.1
221.19156	8.3
255.03119	3.0
265.18036	5.7
279.56992	3.0
283.19199	6.0
285.04041	5.5
301.20227	5.7
371.15030	5.0
375.20172	16.3
397.79034	3.0
445.24554	8.7
463.25684	19.0
536.31757	8.9
537.16144	5.7
537.25684	100.0
537.32141	41.0
538.25647	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	537.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	33.8
59.01384	16.2
61.98830	3.6
65.61877	0.3
69.11932	2.8
71.01382	4.4
71.05059	0.4
72.99266	0.4
73.02962	2.0
75.00873	0.5
81.03464	0.7
81.63627	0.3
82.95431	0.4
83.01392	0.9
84.24052	0.4
85.02960	2.7
87.00894	0.8
89.02450	2.9
91.01900	0.7
93.03490	0.6
96.95973	0.6
99.04527	24.5
101.02448	10.7
103.04021	100.0
104.04346	0.8
108.02181	1.7
113.02456	2.3
119.03477	1.0
125.02465	15.9
126.02844	0.5
126.99582	0.7
128.99294	4.8
131.08646	1.0
135.00873	1.4
143.03519	1.4
145.12360	0.8
152.01152	1.5
153.02995	0.6
161.04535	1.2
163.07645	0.8
167.04576	1.0
167.06346	3.5
168.06726	2.0
169.06039	28.4
170.06393	0.8
199.54877	0.4
211.05305	0.6
212.05524	0.5
213.05025	10.4
242.97769	0.4
243.06609	8.8
243.19603	0.4
244.06911	0.6
289.16400	0.7
290.61301	0.5
307.17743	2.4
323.10001	0.5
349.18692	1.0
375.20230	0.8
393.21329	1.2
405.24918	2.7
435.22406	0.7
436.65198	0.4
489.19595	0.5
537.16949	0.6
537.25146	4.1
537.33765	0.5
561.43719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.6
57.03458	3.6
58.00595	1.8
59.01384	61.1
61.83295	1.1
61.98841	15.0
71.01388	40.9
72.99319	1.5
73.02953	10.0
74.02487	3.4
75.00883	1.7
82.73008	1.2
82.95425	1.6
83.01420	5.1
84.95147	1.4
85.02953	14.0
87.00887	3.7
89.02456	23.5
93.03536	1.2
95.01392	1.5
97.02995	1.3
99.00911	4.9
101.02459	28.3
101.03101	1.8
104.03598	1.3
109.02947	3.2
111.00910	2.0
113.02470	14.5
115.04032	1.4
119.03530	3.5
121.02919	2.8
125.02487	3.7
131.03543	4.8
135.04556	3.1
137.02472	2.0
143.03581	2.2
149.04584	8.3
155.10841	4.7
160.04077	2.5
161.02515	2.1
161.04572	7.8
166.06459	3.5
177.02040	3.5
179.03607	1.3
179.05711	2.2
179.07199	1.5
181.08760	2.3
191.05684	3.1
213.15067	4.5
233.06721	1.7
242.08266	2.8
243.08687	4.7
255.03146	1.8
267.06689	1.9
283.19260	2.0
285.04251	4.6
293.08856	1.8
295.06247	4.7
301.20282	2.1
310.08463	3.6
325.10852	7.0
327.12302	1.3
345.19385	14.6
357.26544	8.3
375.27530	19.8
375.77863	1.4
405.25101	3.4
435.22528	1.5
459.14755	2.9
474.16852	1.4
477.23468	61.1
478.23700	2.7
489.19705	2.4
507.30551	1.6
537.32959	100.0
538.33423	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06634	1.1
57.17152	1.1
61.98836	68.6
69.20708	8.0
78.95913	19.7
122.61389	1.2
138.87329	1.2
140.01237	4.8
149.47917	1.1
152.99535	1.5
185.02930	1.2
186.12534	1.2
196.03828	8.9
237.62303	1.1
255.23308	100.0
256.23669	5.9
258.10458	1.3
291.43246	1.4
452.27838	50.2
452.34155	2.7
453.28192	3.2
531.77795	1.6
537.25629	20.2
538.26282	1.6
553.47577	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	537.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
59.01121	2.0
59.01381	22.0
61.98833	10.0
69.11519	3.4
69.11925	8.6
71.01387	21.3
72.99308	2.0
73.02956	3.7
74.50519	1.4
81.06664	1.7
82.95438	2.5
83.01397	2.1
85.02950	6.9
87.00876	4.9
88.98820	1.5
89.02419	4.3
95.01376	1.9
95.16798	1.6
97.02975	1.5
101.02453	7.8
113.02428	5.3
113.76459	1.3
125.02431	3.4
148.95515	1.7
158.98419	1.4
161.04605	1.8
161.17249	1.9
187.29858	1.5
187.92084	1.5
204.31268	1.5
221.19112	20.6
239.20174	2.1
265.18121	11.6
279.83029	1.5
283.19199	18.9
301.20233	19.8
319.08572	1.6
325.02307	1.6
325.20181	2.1
375.19775	2.2
427.23187	1.9
445.24454	22.6
463.25525	49.7
464.25467	2.8
477.34531	3.7
537.29041	100.0
538.29132	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	537.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10859	0.5
61.98824	2.4
63.91186	0.6
64.84898	0.6
69.17050	4.1
78.95913	17.1
125.02000	0.5
136.28258	0.6
152.99594	3.6
160.95599	0.6
168.04340	2.7
221.87863	0.6
224.06967	6.6
234.44867	0.6
242.07965	1.9
255.23323	100.0
256.23621	3.9
316.56424	0.8
354.79666	0.6
414.20450	0.7
452.27737	2.0
480.31015	65.7
481.31400	3.6
537.25623	0.7
537.33264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
59.57555	0.2
61.98835	1.3
67.81239	0.2
71.01390	0.8
73.02966	0.2
82.30663	0.2
85.02968	0.2
85.06597	0.8
88.98824	0.2
89.02454	0.6
95.85574	0.2
96.96079	0.2
101.02452	0.5
103.67245	0.1
108.02219	0.3
109.08377	0.2
113.06089	0.3
115.04025	0.4
116.05070	4.0
117.05471	0.2
118.00901	0.2
118.98106	0.3
131.03758	0.4
132.04543	0.4
136.10603	0.2
159.03267	1.3
160.04056	100.0
161.02435	0.2
161.04413	2.5
174.02002	0.5
174.05592	0.4
177.01991	0.2
179.03464	0.2
189.50819	0.2
202.05153	0.7
204.03032	4.8
218.04594	10.3
219.04977	0.4
264.55490	0.2
284.11581	0.2
304.08276	0.3
322.09344	0.7
348.07233	0.6
366.08325	6.4
367.08743	0.3
380.09900	5.0
381.10141	0.2
408.09418	2.9
422.10736	0.3
520.14618	0.5
538.15710	9.4
538.23877	1.5
539.15961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63095	0.8
56.23866	0.8
56.63600	0.8
61.98835	100.0
63.30646	1.0
69.15838	5.6
76.10444	0.8
76.26774	0.8
79.23229	0.9
192.85667	0.9
252.45073	0.9
285.75601	0.9
453.33746	29.4
453.40207	1.8
454.33966	3.2
538.31549	97.8
539.31750	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	539.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13064	0.3
56.35162	0.3
59.01377	1.9
61.98853	1.0
71.01399	0.6
73.02959	0.2
89.02484	0.6
90.03123	0.2
98.22787	0.5
101.02500	0.4
103.01489	0.4
108.02231	0.3
113.02477	0.2
119.05049	0.3
127.14845	0.3
132.02214	1.7
133.02943	0.3
134.03777	0.3
135.04553	0.5
145.02963	0.4
157.06647	0.9
158.07422	0.8
161.02432	0.5
165.05643	0.4
171.04538	0.4
172.08920	1.4
173.09677	0.3
174.06921	0.4
175.03999	0.3
177.01924	0.6
179.03571	0.3
179.07085	0.4
185.06145	0.3
186.06850	1.7
187.33076	0.3
190.02727	0.5
193.05104	0.5
201.05582	0.6
201.09306	0.5
202.06369	0.8
212.04825	0.4
213.05582	0.9
215.03502	1.2
229.05058	0.8
230.05864	17.9
231.06218	0.4
243.06824	0.4
244.07404	2.5
245.08203	100.0
246.08600	2.9
269.04529	0.4
287.09384	0.3
288.05975	0.4
293.08673	0.3
317.14050	0.3
539.17590	27.1
540.17834	1.9
551.95435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04677	0.4
55.77268	0.4
57.03460	0.4
58.02998	0.4
59.01372	2.0
61.98871	1.2
67.00743	0.3
69.42718	0.8
69.43124	1.3
70.19669	0.5
71.01420	0.9
73.02955	0.4
74.02508	0.8
82.16135	0.5
83.05082	0.4
89.02490	0.4
89.97905	0.5
98.27947	0.4
99.05684	0.8
105.03474	0.6
109.02987	0.5
109.06613	0.4
118.04309	1.7
123.00906	0.6
130.04353	0.4
132.02170	4.0
134.03790	0.8
135.04573	1.2
136.01720	0.5
137.02486	0.7
138.03275	0.9
143.04630	3.5
149.02490	0.8
150.03275	0.6
158.03767	0.8
161.02472	0.7
161.99361	0.4
162.03267	3.0
163.04027	0.8
164.04781	0.5
165.05643	0.5
173.09738	1.2
175.04042	0.4
177.01973	0.6
179.03510	0.6
185.06126	0.9
189.09206	0.6
190.00952	0.8
190.02710	13.5
191.07195	1.3
195.06694	0.7
199.07626	0.7
201.09229	1.4
203.03485	0.6
205.43051	0.4
206.02193	0.6
217.08771	2.8
218.65501	0.4
219.06613	2.6
222.01720	2.7
229.05037	1.1
230.05818	4.2
243.06639	1.0
244.07391	1.4
245.08185	100.0
246.08594	3.6
246.12544	2.0
269.04419	0.5
276.13605	0.5
289.07269	0.5
289.14496	1.0
302.15338	1.8
303.15756	0.7
305.13879	1.5
317.17560	1.2
318.10962	0.5
333.13470	3.1
336.13950	0.8
351.16052	0.7
359.11176	0.6
377.16293	0.7
395.10648	0.6
395.15335	8.5
466.15607	0.4
539.17511	23.4
540.17670	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	539.214
Annotation	Erizomycin
Peak:m/z	Relative Intensity
59.01383	11.7
61.98822	1.3
69.54927	1.9
71.01382	4.7
73.02943	0.6
75.17114	0.5
79.70924	0.5
85.02943	1.5
87.00829	0.6
88.98816	0.7
89.02456	4.2
101.02460	2.1
109.02968	0.9
118.04224	0.7
119.03565	0.6
123.04554	0.6
133.02966	0.7
134.03757	1.9
135.04547	1.5
136.01706	1.1
137.02481	0.6
145.02968	2.2
149.06085	0.7
153.35841	0.5
161.02449	2.2
162.03262	1.7
165.05359	0.5
169.84419	0.4
171.08185	0.7
173.06094	0.6
176.01151	1.1
177.01883	0.7
178.02705	1.2
179.03482	1.2
187.07709	0.6
189.01947	7.2
190.02736	10.9
190.99850	1.5
191.07188	0.8
193.05106	4.0
199.07635	4.4
200.08325	0.7
201.01930	1.1
203.03551	2.0
204.04277	0.8
206.02281	1.2
208.77654	0.5
219.03038	0.7
219.06546	1.2
222.01680	2.8
225.05551	0.5
227.07112	0.6
229.05101	1.9
230.05798	1.6
236.03206	0.6
243.06639	22.6
244.07405	6.4
245.08159	2.0
246.12715	1.5
257.08173	1.6
259.06125	1.7
259.09750	2.1
269.04984	0.6
269.08383	0.5
271.09888	1.1
273.07678	2.2
286.08282	0.6
287.09317	4.0
303.08615	0.8
305.13904	1.0
313.10965	1.0
315.12360	1.3
327.12299	1.1
329.10562	0.6
329.14053	1.1
331.11862	1.2
333.13391	1.3
341.13962	0.7
344.12695	4.3
345.13364	3.7
359.15042	6.3
360.15195	0.8
362.13831	2.8
363.14453	9.4
377.16147	6.3
405.15521	1.5
413.17270	0.5
524.18970	1.5
539.21411	100.0
540.21600	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	539.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25565	0.8
55.01883	1.3
55.41285	0.9
57.03421	1.0
59.01386	17.3
69.82072	3.5
70.03741	0.9
71.01385	11.7
73.02956	5.5
77.52299	0.8
83.01396	3.3
85.02972	6.9
86.00063	0.9
89.02454	4.9
93.03465	3.8
95.01431	1.5
99.00922	1.2
101.02464	10.5
108.02133	1.6
111.00883	1.3
113.02486	4.6
121.02950	7.4
122.03764	14.8
131.03532	1.4
133.02962	5.4
134.03754	1.4
135.04521	1.3
136.01762	1.1
149.02467	27.4
149.06036	1.1
150.03244	100.0
151.03625	3.1
161.02499	1.6
161.04544	1.0
164.04834	5.8
165.05591	86.0
166.06363	5.5
180.04256	5.0
181.08743	5.1
195.06651	43.4
195.08498	1.4
242.54692	1.0
285.04184	1.4
305.33414	0.9
314.11566	4.3
329.14056	8.1
343.14020	17.4
344.14294	1.5
427.62021	1.1
471.94150	1.0
479.21445	4.7
491.19278	93.9
492.19495	6.0
539.21167	7.8
539.29193	2.8
547.85748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50751	0.6
55.01872	2.2
57.02559	0.6
57.03444	1.3
57.57154	0.7
58.69315	0.7
59.01385	13.8
68.55518	0.8
71.01395	10.4
73.02954	5.2
79.75329	0.7
83.01382	2.7
85.02955	7.5
85.90758	0.8
86.00097	1.3
87.00860	1.1
87.67812	0.6
89.02446	2.2
93.03447	1.8
95.01390	1.4
99.00921	1.8
101.02450	10.4
113.02466	3.3
121.02984	3.6
122.03749	4.0
123.04479	0.8
132.02185	0.9
133.02977	6.8
134.03738	1.6
136.01733	0.7
147.04518	1.4
148.99852	0.6
149.01266	1.3
149.02463	21.4
149.06090	1.3
150.03244	27.1
164.04793	5.0
165.05589	25.0
166.06326	3.8
167.07173	1.5
180.04338	2.0
181.08734	4.7
195.06628	11.4
195.08304	1.2
283.09741	1.0
285.04010	0.8
314.11649	4.9
315.12436	1.1
329.13980	12.1
330.13977	0.8
343.13983	11.4
357.15546	1.2
429.57608	0.7
435.82672	0.8
467.51019	0.7
491.19278	100.0
492.19617	7.1
494.36029	0.8
539.21350	14.9
540.22028	1.4
543.84821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60727	6.4
59.01387	70.0
61.98830	26.2
69.41669	35.4
71.01393	53.0
73.02966	20.9
78.41743	6.1
83.01411	6.6
84.72150	7.1
85.02956	16.8
89.02455	85.4
99.00900	19.2
101.02438	58.6
113.02483	10.9
119.03535	13.0
131.03508	11.6
133.02983	11.5
135.04503	7.3
149.02489	11.9
149.04575	83.5
150.03214	33.7
161.02478	10.7
161.04564	7.3
165.00073	6.3
165.05576	27.1
179.03439	8.6
191.05588	18.5
195.06711	19.7
219.35950	8.4
221.06680	9.3
227.03432	7.8
285.04175	13.3
377.21545	9.5
491.19153	50.8
503.25052	10.7
539.21777	100.0
539.34552	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	539.2293
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
59.01363	1.2
61.98836	1.2
65.37283	0.8
69.83740	0.9
69.96597	2.9
70.06587	0.9
144.68933	0.8
151.00354	2.8
152.01125	1.9
166.02756	6.1
167.03470	1.9
181.05098	3.8
187.03954	1.2
194.04796	0.9
213.09262	1.2
216.04312	2.8
217.00320	1.1
225.09229	19.2
226.09816	2.8
241.08728	3.0
243.10269	3.9
253.08678	2.7
255.06583	3.0
269.08252	7.1
270.08954	5.4
271.09891	4.6
310.15616	1.9
338.15201	2.3
339.16010	69.5
340.16330	3.2
357.17160	2.3
410.18039	1.0
539.22888	100.0
540.23346	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.8
59.01384	100.0
61.98840	19.3
69.76352	4.9
69.76733	5.9
71.01389	61.4
72.99297	2.5
73.02955	9.5
83.01405	3.7
85.02966	8.2
86.00159	2.3
87.00901	5.6
89.02457	89.3
90.16238	2.8
96.96026	2.6
98.30302	2.4
99.00895	3.2
101.02463	40.5
104.63291	2.4
105.81945	2.3
109.02973	2.3
111.00912	2.6
113.02469	13.0
119.03513	9.0
125.02501	3.2
129.01918	2.9
131.03522	24.5
133.02939	3.4
135.04533	5.0
138.05571	3.8
139.00430	2.9
143.84488	2.3
146.06178	4.3
149.02538	3.1
149.04565	73.9
150.03177	3.3
158.47375	2.1
161.02454	11.3
161.04599	4.8
165.01988	9.3
170.26955	2.5
179.03513	5.6
180.04311	14.7
190.05212	2.7
191.05565	17.0
195.06665	28.2
255.02969	3.1
269.04553	6.0
283.02484	3.9
285.04227	6.0
293.08698	2.9
329.13110	5.4
347.17358	3.7
377.08554	5.4
458.11523	5.2
479.21198	16.2
491.19330	5.1
539.18634	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	539.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36277	2.2
57.03443	4.8
59.01080	4.9
59.01384	100.0
61.98830	25.0
66.00351	2.1
70.21516	2.2
71.01388	45.0
71.43777	2.2
73.02953	17.4
75.59324	2.3
82.95442	5.2
83.01397	9.9
85.02959	22.4
87.00877	6.7
87.04520	21.9
88.98803	3.0
89.02454	20.3
93.03478	2.8
95.01394	2.9
97.02950	2.4
99.00904	5.5
101.02450	30.3
109.02982	6.5
111.00896	3.0
112.04025	2.1
113.02454	16.3
115.04026	2.7
119.03525	7.4
121.02964	3.3
123.04488	3.2
125.02434	6.4
127.86043	2.4
131.03510	2.2
133.02945	7.1
134.03735	4.7
135.04514	7.6
136.63947	2.4
137.02452	2.6
151.00356	2.3
155.99818	3.2
156.91791	2.7
159.03053	2.9
159.04492	3.6
160.04094	2.7
161.02490	16.4
161.04541	11.7
163.06149	3.0
164.07234	2.3
177.01901	3.8
179.03459	4.9
191.05630	6.0
227.03548	5.3
245.08411	3.3
255.02989	6.1
269.04608	2.5
283.02621	4.0
284.03180	4.5
285.03964	21.3
286.04431	5.9
317.26956	2.6
335.22217	3.7
374.17612	2.2
377.21875	3.6
384.57004	4.3
385.06866	2.8
400.12766	3.6
451.21768	6.0
479.25339	7.1
479.32217	86.2
480.32370	3.5
539.34790	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	539.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36277	2.2
57.03443	4.8
59.01080	4.9
59.01384	100.0
61.98830	25.0
66.00351	2.1
70.21516	2.2
71.01388	45.0
71.43777	2.2
73.02953	17.4
75.59324	2.3
82.95442	5.2
83.01397	9.9
85.02959	22.4
87.00877	6.7
87.04520	21.9
88.98803	3.0
89.02454	20.3
93.03478	2.8
95.01394	2.9
97.02950	2.4
99.00904	5.5
101.02450	30.3
109.02982	6.5
111.00896	3.0
112.04025	2.1
113.02454	16.3
115.04026	2.7
119.03525	7.4
121.02964	3.3
123.04488	3.2
125.02434	6.4
127.86043	2.4
131.03510	2.2
133.02945	7.1
134.03735	4.7
135.04514	7.6
136.63947	2.4
137.02452	2.6
151.00356	2.3
155.99818	3.2
156.91791	2.7
159.03053	2.9
159.04492	3.6
160.04094	2.7
161.02490	16.4
161.04541	11.7
163.06149	3.0
164.07234	2.3
177.01901	3.8
179.03459	4.9
191.05630	6.0
227.03548	5.3
245.08411	3.3
255.02989	6.1
269.04608	2.5
283.02621	4.0
284.03180	4.5
285.03964	21.3
286.04431	5.9
317.26956	2.6
335.22217	3.7
374.17612	2.2
377.21875	3.6
384.57004	4.3
385.06866	2.8
400.12766	3.6
451.21768	6.0
479.25339	7.1
479.32217	86.2
480.32370	3.5
539.34790	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	540.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88627	1.3
52.96064	1.4
57.03458	1.5
58.02350	1.2
59.01386	28.1
62.45402	1.2
69.03464	3.9
71.01381	24.1
73.02937	5.6
81.03458	4.0
83.01403	4.7
85.02956	13.9
87.00887	15.1
88.98807	2.4
89.02462	9.4
95.01386	4.3
97.02968	10.5
99.00878	4.7
101.02439	13.9
102.35290	1.4
109.02956	2.2
113.02453	9.0
119.03506	3.1
123.00934	3.3
124.01636	2.0
125.02457	39.9
128.05080	4.1
130.06638	51.2
131.06923	1.5
133.02988	1.6
139.04012	3.4
140.01175	1.6
141.01910	3.0
143.03516	22.9
146.06145	5.9
156.04546	2.2
161.02470	4.0
161.04549	14.5
162.02786	1.8
162.05554	1.6
170.66557	1.4
174.05609	68.9
175.04160	1.4
179.03529	2.1
179.05670	5.0
185.04564	2.4
203.05614	6.0
221.06694	6.0
251.71434	1.5
305.08722	14.2
307.04596	1.3
323.09836	100.0
324.10123	2.0
341.10849	6.0
342.08905	2.5
352.99597	1.6
365.10834	4.7
383.11954	5.7
480.15088	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	540.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03438	1.7
59.01381	28.0
61.98816	3.1
69.03457	3.3
71.01383	26.7
72.99312	1.5
73.02959	4.0
74.99074	0.6
75.00873	1.5
81.03458	3.1
83.01383	4.0
85.02955	13.7
87.00879	16.0
89.02456	11.0
95.01389	2.6
97.02966	10.9
99.00871	3.8
99.04510	1.7
101.02446	17.6
105.29089	0.6
107.01346	0.6
108.02211	0.6
109.02965	2.8
111.00900	0.8
111.04542	0.8
113.02451	11.1
115.04011	0.8
119.03509	2.7
121.02938	1.7
123.00867	2.8
123.04498	1.1
124.01599	1.0
125.02454	35.2
127.03980	0.9
128.05061	3.3
130.06635	49.7
131.03529	1.0
131.07063	0.7
137.02501	0.7
139.04019	2.3
140.01147	1.8
141.01953	5.0
143.03517	18.0
146.06131	3.9
149.02493	0.9
149.04549	1.8
151.04037	0.7
156.04599	2.9
161.02510	1.1
161.04567	18.0
162.04794	0.6
167.03539	2.0
174.05612	61.3
175.06018	1.7
179.05609	4.9
185.04579	2.6
195.06622	1.1
203.05611	3.2
216.06638	1.5
221.06665	5.6
235.08762	0.8
245.06613	1.2
245.17654	0.9
263.07721	1.1
287.07727	1.2
305.08780	11.1
305.12027	1.1
318.09851	1.1
323.09842	100.0
324.10193	2.6
341.10919	5.6
365.10822	4.2
383.12027	5.4
480.15164	10.2
480.21631	1.3
500.52658	0.8
539.26917	1.0
540.27991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73891	0.9
57.03447	1.5
59.01385	28.0
60.36857	0.9
63.97538	0.8
69.03459	2.2
69.78642	3.0
71.01018	1.6
71.01389	21.1
73.02959	4.3
81.03462	0.9
83.01383	4.0
85.02961	12.4
87.00890	18.5
89.02459	9.2
95.01373	3.3
96.96001	1.4
97.02953	6.7
99.00887	3.7
99.04514	1.5
101.02456	13.9
109.02959	1.0
111.00834	1.1
113.02458	8.0
115.04020	1.2
119.03534	4.7
123.00878	1.5
125.02455	25.3
126.01431	0.9
128.05101	1.7
130.06639	30.8
131.03488	1.4
137.02463	1.2
139.04025	1.8
140.01199	1.1
141.01959	3.1
143.03502	14.8
146.06122	3.6
147.03307	6.6
156.04549	2.2
159.03006	1.1
161.04581	21.2
162.05638	7.4
167.03523	1.9
172.07564	1.0
173.27847	1.1
174.05609	45.3
175.05981	1.4
179.05675	8.0
195.07797	0.8
203.05623	2.6
214.98566	0.9
216.06641	1.7
221.06696	9.2
241.60068	0.8
245.06760	1.3
263.07507	1.1
305.08746	10.6
323.09851	100.0
324.10019	4.3
341.10812	7.9
383.11902	7.3
480.15125	10.3
481.15384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.9
64.01353	1.4
69.03442	2.3
69.41968	6.9
71.01390	18.4
73.02944	4.1
81.03465	2.9
83.01385	2.9
85.02962	9.4
87.00879	16.5
89.02472	9.6
91.88700	1.3
95.01363	2.6
97.02953	7.2
98.22848	1.6
99.00887	2.9
101.02441	15.5
108.06654	1.6
109.03001	1.5
113.02472	11.4
119.03502	4.9
123.00916	1.7
125.02465	21.8
128.05006	2.4
130.06633	29.6
138.19875	1.5
141.01915	3.3
143.03531	16.3
146.06134	2.8
156.04552	2.6
161.04567	22.7
167.03558	2.3
174.05612	46.9
179.05635	9.3
185.04535	2.0
203.05635	1.5
216.06651	2.4
221.06647	8.6
245.06693	1.4
278.18823	1.6
305.08789	8.2
323.09848	100.0
324.10144	2.9
341.10852	12.2
365.11221	2.0
383.11987	7.4
480.15097	9.4
492.19485	2.5
498.15866	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	540.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.7
59.01383	29.3
61.98839	6.2
69.03462	2.3
71.01387	23.9
73.02954	5.0
75.00873	1.1
76.30691	0.7
81.03453	2.6
83.01396	3.9
85.02960	13.0
87.00887	18.7
89.02447	10.7
95.01389	2.4
97.02952	6.7
99.00885	3.3
99.04552	0.8
100.01232	0.8
101.02459	18.3
108.16396	0.8
109.02946	1.4
111.58600	0.7
113.02460	10.7
113.54523	0.9
115.04021	1.6
119.03506	5.6
120.01311	0.9
121.02930	0.9
123.00853	2.0
123.04572	1.3
125.02460	27.8
127.03986	1.1
128.05046	2.7
130.06642	34.9
131.07005	0.9
139.04028	2.0
140.01254	0.8
141.01955	3.7
143.03516	14.5
146.06178	4.1
150.03239	1.2
156.04614	2.2
161.04572	24.7
165.05606	1.3
167.03525	1.9
174.05623	41.9
175.05919	1.4
177.01988	0.8
179.03493	0.8
179.03944	0.9
179.05658	10.0
185.04594	1.5
203.05632	2.3
216.06735	1.5
221.06671	11.4
235.08286	1.2
245.06656	1.7
249.06297	0.8
254.09814	0.8
263.07822	0.9
305.08759	10.0
323.09851	100.0
324.10120	2.5
341.10934	8.2
365.10709	2.2
383.12057	6.8
480.15176	10.3
481.15186	1.0
536.23822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
57.66710	0.9
59.01389	7.2
61.98840	8.9
69.69524	0.8
71.01376	3.3
71.41646	1.1
72.99323	2.0
85.02965	1.0
85.06595	5.9
88.98806	0.9
89.02452	1.9
96.96001	1.7
101.02469	1.2
108.02180	1.2
109.02915	1.5
113.02464	1.8
113.06107	12.1
115.04040	4.4
116.92867	2.7
118.02990	2.0
119.03765	2.1
121.02995	4.6
123.04547	2.0
132.04590	1.4
134.03764	1.1
135.04555	3.2
137.02443	1.0
139.03030	1.4
139.04028	17.2
144.04530	2.1
146.02496	25.9
147.03278	100.0
148.03816	1.4
150.03154	1.5
151.03996	2.8
152.01089	1.2
157.05183	1.2
160.04030	3.0
161.02454	3.5
161.04829	16.2
162.05620	26.7
163.03934	1.6
164.04645	1.0
167.03477	1.6
176.07185	5.0
179.03500	1.1
180.88982	1.4
189.04437	1.0
190.01450	43.3
191.02180	9.7
192.03139	1.2
204.03004	1.8
205.03781	19.7
206.04602	79.0
207.04922	1.7
220.06171	19.8
248.05611	1.2
269.04428	1.9
289.14590	6.4
290.15219	3.4
291.15448	1.1
350.08725	3.0
368.09995	5.0
379.17627	4.9
395.08585	1.3
410.10947	64.5
411.11386	2.5
456.15405	1.9
489.19424	1.4
522.16504	1.7
540.22235	8.7
541.22931	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	541.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94410	0.6
59.01386	100.0
60.01732	0.8
64.71815	0.6
67.46077	0.6
69.31305	2.8
89.13736	0.5
110.15814	0.7
117.00440	1.0
159.01527	2.0
174.99463	3.6
197.03087	0.7
198.99535	1.0
201.02507	1.1
217.00471	8.5
232.90433	1.1
232.98500	1.9
241.00418	1.4
256.90704	1.2
256.98773	0.6
259.01657	2.7
273.01718	1.7
274.99564	7.5
275.99469	0.8
290.97366	5.0
291.97040	0.7
301.02689	1.6
315.02640	1.1
317.00653	13.1
318.00974	1.6
332.98376	6.8
357.04037	1.0
359.01682	8.8
360.01822	0.9
374.99417	6.1
390.97809	1.2
397.83640	0.7
401.02701	4.0
416.92816	1.4
417.00461	1.8
456.98367	0.9
474.99030	0.7
498.99692	5.5
541.00702	41.4
542.00714	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	541.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41808	1.1
57.08972	1.1
59.01385	5.8
60.99314	17.0
61.98827	2.8
69.30634	5.0
71.01394	2.8
72.99313	4.4
82.47954	1.1
85.02947	1.4
88.98814	100.0
89.02457	3.4
95.75904	1.0
99.00922	1.1
101.02458	1.8
108.02178	2.1
109.02971	8.5
119.34980	1.1
122.06106	4.0
123.04537	4.5
124.01641	1.2
125.02451	1.3
133.02995	1.4
134.03764	1.2
135.04503	2.2
136.01637	1.6
137.02409	1.8
138.05585	1.5
149.02461	1.5
150.03253	2.8
151.03999	4.0
152.01129	3.4
152.07198	7.0
153.07527	1.9
159.04565	1.6
159.87305	1.1
160.04076	1.4
161.02432	4.7
162.03281	1.3
163.03987	5.2
164.04839	2.1
166.02684	2.1
167.03522	5.7
169.07675	1.2
170.33453	1.3
175.04025	2.3
177.01917	11.9
179.03535	1.2
187.03976	1.3
189.01909	14.3
189.97148	1.2
190.02693	4.3
191.03445	4.7
192.06660	5.5
193.07037	1.8
206.02167	1.5
207.06657	1.7
215.66504	1.2
216.00658	1.9
217.01416	11.4
217.08777	5.1
218.02089	1.4
219.02994	5.2
219.06729	1.7
230.09450	2.0
231.03011	4.5
259.06079	2.6
275.12946	2.1
281.04440	2.0
289.07333	1.2
289.14471	13.2
290.15387	2.3
299.05640	5.4
301.14554	3.2
302.15213	10.3
303.15857	1.5
304.13083	1.5
313.10916	1.5
317.17596	12.3
318.14597	2.1
319.15475	10.3
341.06699	44.7
342.06985	2.1
343.11899	5.1
357.14478	3.2
358.14868	4.1
378.13113	2.3
379.13739	7.8
379.17831	3.1
451.10339	36.2
452.10980	2.2
503.24939	1.7
509.17249	2.1
526.20648	2.0
541.23340	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	72.0
61.98825	12.8
69.72214	17.7
69.72603	26.4
72.37999	8.5
72.99300	10.2
76.09641	9.2
76.59346	8.2
85.43633	9.1
91.31907	9.1
92.49565	8.7
94.19415	9.1
96.96000	22.8
97.02954	9.0
98.21854	10.8
101.02468	8.3
133.02931	11.1
147.04539	93.8
165.05588	100.0
207.06665	53.6
209.04364	9.6
245.09297	29.9
294.30338	7.9
379.13809	12.0
392.39334	9.8
541.19611	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
61.92218	0.6
61.98830	0.8
69.68678	2.9
90.05885	0.6
98.22631	1.2
102.34204	0.7
104.19408	0.7
108.44947	0.7
123.91125	0.7
125.19509	0.6
125.94965	0.6
139.31944	0.6
143.69478	0.7
154.10199	0.6
161.02490	0.8
189.01993	1.4
190.02728	3.8
199.07677	2.5
201.01874	0.9
203.03560	1.8
215.07025	1.0
216.04199	1.4
218.48828	0.7
222.01744	1.1
243.06615	32.3
244.07167	1.8
257.08176	3.3
258.08899	1.3
311.12900	4.6
328.13141	27.9
329.13623	1.5
343.15494	100.0
344.15945	5.7
508.24881	0.7
541.23987	0.7
541.33844	2.9
547.99438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48733	0.3
59.01374	1.2
61.98553	0.4
61.98837	5.2
67.49781	0.3
71.01398	0.5
71.41590	0.3
72.99316	0.4
73.15955	0.3
76.52688	0.2
83.73409	0.3
86.59705	0.3
89.02468	0.6
103.12331	0.3
104.02680	0.6
109.02986	0.4
113.02460	0.5
118.04221	0.6
125.02506	0.5
133.02979	1.1
135.04530	0.8
137.02481	0.7
145.02953	1.1
148.01678	1.0
149.02414	0.4
151.04015	0.4
151.07652	0.4
155.10818	0.3
157.06575	0.4
161.02464	1.6
162.03239	0.8
163.04057	0.6
165.01929	0.3
165.05502	0.4
173.06070	0.3
175.69568	0.3
177.01939	1.8
179.03474	0.8
183.04788	0.3
185.06157	0.6
189.01945	5.6
190.02737	5.5
191.03557	0.4
199.07643	0.6
201.01936	0.8
201.05513	0.9
203.03578	0.7
204.04240	1.4
211.07715	0.8
212.07982	0.3
215.03246	0.3
216.04274	1.0
222.01662	1.0
225.09200	0.4
229.05089	3.1
230.05704	0.6
233.04370	0.4
236.03322	0.9
243.06648	4.2
244.07452	1.7
245.08174	0.5
255.06670	1.1
267.06607	2.0
269.05212	0.6
269.08215	14.3
270.08810	0.5
283.13297	0.6
293.08737	0.4
295.09619	0.5
295.19205	0.4
302.28955	0.3
311.12909	7.2
311.18448	0.4
313.10843	5.2
320.83032	0.3
323.10962	0.3
325.20178	0.7
327.12234	1.3
328.13181	24.5
329.13730	1.5
337.20441	0.5
343.15512	100.0
344.15869	4.1
367.21228	0.5
451.19742	0.4
499.33069	0.4
523.32697	0.5
526.20612	0.4
541.22919	2.1
541.33887	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	541.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67855	0.4
56.31042	0.4
59.01386	2.6
59.56155	0.5
69.10219	3.2
71.01389	1.3
85.06601	100.0
86.06927	1.3
88.53310	0.4
89.02465	0.8
89.17253	0.5
101.02455	0.7
104.66421	0.5
107.55570	0.5
113.06105	18.7
115.04021	16.2
123.94291	0.5
126.83321	0.4
129.05606	5.5
136.04044	2.4
140.36365	0.5
143.05101	0.5
157.05078	4.4
185.06122	0.9
189.07724	9.4
191.05695	0.8
214.01781	0.8
256.09860	1.9
300.08865	1.0
380.04492	4.7
542.09741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92208	2.1
53.38594	2.2
59.01385	71.0
61.98841	2.5
64.68872	1.9
70.77978	2.2
71.01392	49.0
73.02959	11.2
83.01404	2.3
85.02959	9.2
87.00889	5.7
88.24699	1.7
89.02451	59.8
90.69517	1.9
93.43308	1.8
95.42304	1.8
97.47459	1.8
98.21879	2.1
101.02459	25.8
113.02451	9.1
119.03508	5.9
125.02455	6.4
131.03517	25.7
134.06104	2.1
149.04575	26.1
161.04568	3.0
165.05585	3.2
187.13432	3.6
191.05594	11.1
203.62462	1.7
206.88480	2.2
233.06564	2.7
255.99289	2.2
349.18713	10.2
426.71326	2.5
481.22992	100.0
482.23199	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	541.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23982	1.0
59.01386	1.8
61.98833	4.0
69.91452	2.1
69.91782	2.3
71.01369	1.2
73.94661	1.0
74.02486	1.9
82.02989	2.4
84.04568	1.1
86.02476	14.0
93.85107	1.0
102.98643	1.9
109.34018	1.0
111.56481	1.0
116.92859	2.5
120.01266	15.3
121.02967	1.3
127.05161	3.2
127.08806	11.7
128.03552	100.0
143.77963	1.2
146.03769	1.6
153.06705	7.3
159.04515	1.7
165.12885	1.8
171.07767	32.4
197.11836	1.4
215.06763	4.9
231.04492	9.6
249.05533	48.2
266.47040	1.0
291.19687	7.2
291.67749	1.1
313.07364	1.4
436.92111	1.1
523.26056	1.3
541.26324	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	541.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35958	2.4
57.03430	3.4
59.01382	3.9
59.63295	2.0
63.28433	2.3
69.03443	4.2
70.71825	3.4
71.05008	4.1
77.74741	2.0
78.21694	1.9
81.03438	2.2
86.77447	2.0
86.95030	2.3
97.02956	3.4
97.06606	3.3
99.00909	17.9
103.65276	2.2
123.08151	2.7
125.09730	7.7
161.09731	4.2
163.11288	8.2
179.10759	7.2
181.12369	14.9
197.11841	43.7
199.13393	7.0
207.10303	22.6
225.11331	33.5
241.10884	8.0
243.12444	17.4
315.14526	8.6
317.16046	10.2
541.26593	100.0
542.27216	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	541.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
57.03449	2.0
59.01384	26.3
61.98834	1.5
69.03451	0.9
71.01388	24.4
71.43550	0.6
71.77006	0.7
73.02951	9.3
75.00896	1.3
83.01396	4.5
85.02957	14.9
86.00079	0.7
87.00886	2.3
89.02448	7.2
89.17726	0.5
93.42113	0.7
95.01407	2.9
97.02924	0.9
97.46835	0.5
99.00893	3.5
100.33379	0.5
101.02452	22.5
111.00890	5.7
113.02452	10.1
119.03475	1.6
125.02408	0.9
129.01965	1.6
131.03525	0.7
135.04514	1.0
143.03458	0.7
159.03001	3.2
161.04588	3.6
250.38724	0.7
285.03925	0.6
379.23361	13.7
481.22894	1.6
541.28705	100.0
542.29291	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.4
57.03440	2.7
57.88272	0.6
59.01389	29.1
61.98837	2.8
67.01896	0.7
69.03471	1.1
69.57948	1.9
71.01392	31.3
72.99289	0.8
73.02952	12.4
75.00904	1.1
83.01394	6.8
83.78452	0.6
85.02462	1.1
85.02961	16.0
87.00884	3.0
89.02457	8.1
93.03412	0.7
95.01405	3.2
97.02956	1.2
99.00909	4.0
101.02457	26.2
109.02963	0.5
111.00897	5.0
113.02465	11.6
113.03665	0.7
119.03497	2.5
125.02414	0.9
129.01900	1.5
135.04471	0.8
141.01897	0.8
142.41595	0.6
142.54155	0.6
143.03487	1.8
149.02463	0.9
149.04488	0.8
150.03300	3.4
151.03578	0.8
152.03729	0.7
159.03076	3.0
161.04553	5.0
165.05591	2.8
166.05991	1.0
179.05663	1.4
191.05731	0.9
196.06732	0.7
217.18230	0.7
234.42499	0.6
285.04010	1.8
304.88467	0.7
373.15439	0.7
379.23380	22.9
453.12289	0.7
481.22525	0.8
487.51492	0.6
493.19925	6.1
541.28735	100.0
542.29120	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	541.3158
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
58.50459	5.1
59.01383	43.8
61.98833	100.0
64.62412	5.1
68.79757	5.7
71.01377	17.1
71.88986	5.7
78.91908	6.2
85.02940	10.5
89.02442	8.5
101.02448	14.8
109.02972	7.1
113.02459	8.0
120.75513	5.6
133.02983	6.8
149.52586	5.4
179.03514	9.3
215.65639	6.3
341.23083	6.5
541.31952	50.4
551.40027	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	541.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.3
60.99309	15.4
62.10595	0.5
73.54545	0.6
87.00883	1.8
88.00351	0.7
88.98813	100.0
89.02444	6.8
106.53457	0.5
113.02484	0.5
117.60617	0.5
123.04539	0.7
124.83137	0.6
125.17526	0.5
127.60231	0.5
135.04480	1.2
143.36887	0.6
150.03152	0.6
151.04048	0.7
166.06342	0.6
207.06625	0.6
211.34018	0.5
290.15097	0.7
305.13895	1.0
320.16135	0.7
335.18716	1.4
344.51413	0.6
374.72806	0.6
410.84897	0.6
500.27670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04543	0.5
59.01410	2.3
61.98837	4.3
69.64024	0.6
69.64368	1.7
70.58825	0.5
71.01424	1.6
77.61030	0.5
79.95744	4.5
80.96568	1.9
81.27325	0.5
85.02981	0.7
85.06602	0.7
89.02497	1.6
93.03466	6.8
96.96045	1.1
98.21973	0.7
101.02506	0.9
113.02481	0.6
118.03011	10.0
119.05032	4.4
121.03002	1.0
125.02520	0.9
131.03775	0.6
132.04671	0.7
134.06122	5.2
136.04056	51.0
136.07651	3.3
137.02516	1.4
137.04420	1.0
138.44170	0.5
149.04749	0.7
150.05611	11.9
155.03532	0.7
163.04034	1.8
176.03522	0.6
180.06664	6.0
181.03812	0.7
194.04639	3.1
199.00706	3.0
214.01816	11.5
215.00189	1.0
216.03412	3.4
256.09811	40.9
257.10214	1.7
260.02332	8.5
298.10953	1.0
300.08777	27.8
301.09219	1.5
311.93530	0.5
323.09634	0.6
336.05472	3.1
342.10696	0.6
380.04477	100.0
381.04819	4.0
408.68021	0.6
462.14368	2.4
462.20087	0.6
542.09766	18.4
543.10236	1.0
543.24042	0.8
552.19312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.3
61.98823	5.0
71.46240	8.1
91.57072	4.8
107.92310	5.4
179.47276	5.2
253.09409	15.1
263.20197	100.0
264.20645	5.9
363.20090	5.6
502.19617	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	542.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01371	2.6
61.98836	20.3
69.47312	1.4
69.47653	3.7
73.02924	1.0
74.02485	1.4
77.00599	0.8
82.02984	1.2
84.04557	7.6
89.26192	0.8
91.70545	0.8
97.76269	0.8
101.07194	1.5
102.05621	21.9
109.04105	4.2
127.05150	19.1
128.03554	57.3
145.06204	21.6
146.04544	4.1
223.20692	19.0
266.21405	3.9
267.19601	11.6
267.21725	0.9
268.22720	1.4
285.20679	3.3
289.18015	1.6
307.27499	2.7
308.25897	1.7
332.27075	1.0
333.25446	0.9
333.39487	0.9
351.26407	0.9
369.27573	1.7
395.25537	3.1
396.23727	1.4
413.26608	19.7
413.79260	1.0
415.43039	0.9
480.30621	1.0
498.31027	0.9
524.29901	6.0
525.28253	1.3
542.30865	100.0
543.31122	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	543.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80377	1.0
57.03449	2.1
59.01387	11.6
61.98811	5.1
69.03456	6.3
69.10674	3.4
69.11090	4.1
71.01390	10.9
72.99321	1.5
73.02953	1.4
83.01391	1.3
85.02940	4.2
87.00877	6.2
87.04518	2.3
89.02425	3.9
93.03491	1.3
97.02963	1.6
99.00872	2.5
101.02420	4.6
108.02183	1.7
109.02928	1.8
111.00886	1.7
113.02456	14.2
119.03490	1.9
123.04539	5.8
125.02448	1.5
131.03545	9.8
132.02072	1.1
133.02979	5.1
133.05095	1.6
134.03754	65.2
135.04553	6.9
137.02441	2.5
139.04044	2.2
147.04536	2.7
148.05301	2.2
149.06094	43.7
150.03233	1.5
153.02045	1.4
158.03754	1.4
160.01698	10.3
161.02475	15.5
163.03946	1.6
167.03445	1.3
175.04016	14.5
176.04794	8.5
177.01958	2.6
178.02702	6.5
179.03519	8.4
191.03528	2.0
191.07150	12.9
192.04305	2.3
193.05069	22.9
206.05864	10.7
207.06659	6.3
219.06659	1.3
220.03671	3.0
221.04544	1.5
235.06140	25.6
253.07184	3.3
267.05844	1.3
267.08774	26.2
275.07736	8.7
281.10275	6.7
293.08737	7.4
294.14651	3.3
295.08188	1.6
309.09808	8.8
309.16943	2.8
322.14294	1.4
337.16553	3.7
454.86987	1.6
469.13504	16.0
543.17151	100.0
544.17438	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	543.1872
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
53.72231	1.1
57.03450	1.0
59.01383	22.1
61.98830	22.2
62.93006	1.0
69.03463	2.2
69.80023	3.3
71.01392	13.1
73.02937	3.4
79.86510	1.3
83.01405	1.9
85.02958	6.4
88.29662	1.1
89.02451	10.9
96.96002	1.0
101.02456	9.8
113.02457	11.1
119.03509	6.2
131.03535	2.9
134.03738	12.6
135.04556	2.7
142.34497	1.1
149.06087	7.7
161.02463	2.3
161.04581	1.6
168.19847	1.2
175.04015	1.7
177.09369	1.6
178.02802	1.4
189.09300	1.1
191.07213	1.6
193.05055	3.3
218.60760	1.2
221.55290	1.1
235.06154	2.7
267.08795	4.7
275.07758	11.4
321.17053	2.4
345.15576	100.0
346.15906	5.1
414.28568	1.2
469.13599	4.1
543.17645	18.9
544.17853	1.3
546.97192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	5.0
57.20275	2.6
59.01380	82.5
61.98824	10.3
69.03448	7.8
69.68711	7.3
69.69089	7.2
71.01384	61.2
72.99298	3.0
73.02951	10.3
82.95450	3.2
83.01385	4.2
85.02943	17.7
85.06595	100.0
87.00866	4.6
88.98844	3.4
89.02448	76.4
96.96037	4.3
97.02939	3.5
98.22680	3.8
99.00896	4.5
101.02435	25.0
109.43350	3.0
111.00845	4.7
113.02465	22.2
113.06133	21.9
115.04011	18.1
119.03520	3.8
123.04553	8.4
125.02438	13.3
129.05594	7.2
131.03487	25.5
134.03772	30.7
135.04529	6.1
136.04033	12.7
143.03534	3.5
149.04562	47.0
149.06067	13.9
150.05678	3.2
157.05029	5.7
161.02469	4.8
173.82936	3.2
176.17604	3.2
179.03456	4.9
187.10966	3.7
189.07736	21.4
191.05582	10.8
233.06682	5.8
235.15103	3.2
240.27049	3.2
267.08759	6.4
269.69519	3.6
275.07788	39.7
293.08859	62.3
301.09128	3.8
353.10834	9.0
369.11575	4.2
381.04767	22.3
469.13290	8.9
474.16504	4.4
543.16632	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	543.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
59.01083	4.7
59.01382	95.2
61.29023	3.3
61.98820	14.6
69.03473	5.3
71.01392	64.3
71.05780	3.7
73.02956	12.1
74.56371	3.2
81.03461	4.5
82.95419	3.8
83.01391	4.2
85.02950	15.1
85.06590	100.0
87.00897	6.1
89.02453	84.7
96.96010	5.5
97.02942	4.4
101.02461	20.6
107.05062	4.3
113.02455	20.2
113.06099	19.4
115.04021	14.2
117.70663	3.2
119.03502	2.7
120.06821	3.6
123.04514	3.5
125.02431	14.2
129.05598	4.5
131.03499	22.3
134.03755	21.2
135.04564	8.8
136.04079	10.0
137.04402	4.3
149.04555	47.9
149.06070	12.8
151.04007	3.6
157.05069	3.7
175.04050	3.8
189.06207	3.6
189.07660	21.1
191.05577	5.9
205.05014	4.5
235.06117	4.8
257.10123	6.6
267.08612	5.3
275.07770	39.5
293.08820	53.1
380.04318	4.3
381.04736	13.0
469.13373	5.6
543.17047	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23923	3.3
57.03459	6.4
59.01390	18.6
59.84826	3.4
62.45132	3.0
64.05600	3.3
71.01374	7.2
71.05030	4.5
71.43873	3.4
92.61902	3.2
97.02993	7.2
97.06614	7.2
99.00888	33.0
99.04513	5.6
101.02491	4.9
104.48598	3.7
125.09752	12.9
163.11298	18.6
167.29323	3.7
181.12372	28.9
188.73651	3.8
195.69679	3.5
197.11906	10.5
199.13435	15.1
207.10271	61.7
225.11340	93.8
243.12395	70.5
317.16083	42.0
331.74805	4.7
458.00317	4.1
525.27332	7.9
543.28156	100.0
544.28003	8.5
558.84454	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	543.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01840	1.1
59.01385	100.0
59.95294	1.2
71.01395	3.1
71.77486	1.3
78.95913	3.8
101.02454	2.2
128.94310	1.4
141.67093	1.2
152.99606	1.6
173.34554	1.4
178.99940	1.2
223.08188	6.7
239.97067	1.6
253.83119	1.6
277.21735	41.0
278.22021	2.3
279.14032	1.4
281.12119	1.4
294.30212	1.6
390.89911	1.6
419.09137	1.4
561.30212	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	543.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	41.0
61.98852	100.0
65.14566	16.8
71.01392	22.3
88.31729	17.4
89.02457	30.1
99.16816	19.7
107.11230	18.1
115.29852	18.2
149.04576	26.5
167.06328	65.7
169.06013	82.9
182.13803	16.9
207.42152	16.9
211.05362	38.9
213.05042	33.0
251.48482	16.6
449.45123	24.4
489.15701	22.3
543.33813	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3311
Annotation	Luvungin F
Peak:m/z	Relative Intensity
52.21820	5.2
59.01381	19.9
61.98819	11.4
69.14058	35.2
73.81053	5.0
89.02457	7.1
137.07632	6.1
223.07712	5.3
250.08745	23.9
268.92224	5.2
272.54584	5.2
299.66162	5.7
390.11804	5.0
433.76846	4.9
471.68869	5.0
499.41269	5.9
543.33075	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	543.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57371	6.8
57.03447	59.8
57.92487	10.1
59.01382	100.0
61.98829	23.5
69.07492	26.0
69.07921	33.3
69.47887	7.5
71.01382	27.8
71.63454	7.7
73.02929	17.1
89.02456	31.9
94.38876	7.8
99.04523	43.5
101.02450	30.5
113.02451	16.5
115.62825	7.8
119.03512	12.0
125.02466	15.3
146.43279	8.3
151.21526	8.0
221.72862	8.5
302.08109	19.1
360.97333	7.6
363.13586	9.1
507.35507	12.1
543.33167	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25906	3.3
59.01385	100.0
61.98840	38.4
69.03462	4.0
70.23925	3.2
71.01379	40.9
72.99317	11.4
73.02966	18.7
79.73163	2.7
81.03492	3.2
84.95085	3.1
85.02954	16.3
87.00891	17.5
88.01211	3.9
88.49017	3.2
88.98845	3.9
89.02454	31.0
92.37718	3.4
97.02953	11.1
101.02458	39.8
103.00357	6.5
103.04023	28.1
105.01960	3.2
109.02937	8.3
111.00893	4.1
113.02448	7.6
114.78035	3.0
115.04063	4.1
119.03500	12.7
124.79757	3.1
125.02473	26.5
134.31474	3.1
135.04521	7.5
143.03551	5.8
145.05069	6.5
148.05287	24.0
149.00937	64.6
149.04530	2.9
149.05634	8.8
150.01286	11.8
159.04536	9.1
161.02432	5.3
161.04602	6.5
163.04027	13.9
163.06155	21.0
163.07657	30.2
164.07980	24.8
165.08307	3.0
174.97258	10.8
175.97588	6.4
176.96938	15.7
178.06352	11.8
186.65439	3.4
190.05154	6.5
191.05688	3.8
193.08690	9.6
247.08270	6.5
269.08188	4.7
285.04037	6.6
307.10422	14.0
464.12460	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	544.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	65.1
59.51684	27.6
71.01365	30.3
82.50883	27.9
85.02955	32.5
89.75366	35.5
91.28946	24.8
93.13593	28.6
98.21810	57.0
179.46318	29.0
191.05702	33.9
213.15108	36.4
242.50420	28.8
253.09305	55.1
291.19724	40.1
309.20651	91.9
327.33875	39.0
355.23346	33.0
357.38040	39.0
384.33051	33.0
460.13370	27.1
517.61371	30.2
544.23315	62.1
544.33472	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	545.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91213	1.1
57.03442	1.4
59.01384	28.2
59.68373	1.4
61.98857	5.7
68.43848	1.1
71.01389	16.1
72.99321	1.9
73.02935	3.9
75.00845	1.2
81.03471	1.8
83.01405	2.2
85.02954	15.6
87.00899	7.1
89.02451	23.5
90.02789	1.3
91.01889	1.6
93.03461	11.5
95.01404	1.3
96.96004	1.6
99.00887	2.3
100.46272	1.3
101.02459	11.8
108.02164	2.7
109.02965	21.2
111.00889	3.4
111.04517	2.6
113.02444	5.4
115.00368	2.8
115.33739	1.1
119.03510	3.6
121.02959	2.6
127.04020	3.8
129.01968	1.3
131.03487	5.9
133.02940	4.1
134.03777	1.7
135.04491	5.1
145.02962	2.2
146.03755	18.9
147.04515	9.3
149.03494	1.6
149.04576	16.5
149.05765	2.1
158.03729	9.1
159.04536	11.0
161.02452	14.1
161.04602	3.2
161.06097	7.2
165.05670	1.1
173.02321	1.5
173.04561	6.4
173.06085	4.6
179.03494	3.3
179.05556	1.8
191.05632	100.0
191.42058	1.1
192.05905	3.2
205.12370	3.0
209.06027	1.7
221.06195	2.1
224.04750	1.9
229.01410	9.3
229.05014	2.0
237.05466	2.4
238.06346	3.7
240.04245	1.5
248.04726	1.4
249.05507	5.2
249.11227	3.6
250.06407	2.8
251.07292	1.8
252.04181	1.4
265.05045	8.3
266.05841	27.0
267.06650	16.8
268.07437	11.4
276.04416	1.3
277.05106	3.3
281.08295	12.9
283.06573	1.7
283.09799	31.3
285.04068	34.4
286.04373	3.6
293.04712	8.5
293.07867	1.7
294.05380	16.0
295.06091	2.1
309.07715	15.6
311.05869	1.2
327.08774	10.5
338.04266	2.3
339.05106	13.9
340.05606	1.3
353.06686	95.0
354.06979	4.0
371.07742	13.9
391.05716	4.4
391.55548	2.5
423.09366	3.2
429.17603	5.0
443.06390	1.6
497.07373	2.3
501.13922	3.7
509.20618	1.5
545.13000	46.3
545.26263	3.3
546.13147	2.5
547.20117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.2
61.98823	4.7
71.01395	4.6
73.02962	1.4
77.64092	0.7
79.12011	0.9
80.91682	0.9
82.95428	2.7
85.02959	10.3
87.00881	2.1
88.98814	1.2
89.02454	4.3
93.03471	5.1
96.96031	1.3
99.00829	0.9
101.02441	1.7
108.02180	1.7
109.02972	2.7
110.67397	0.8
111.04536	1.1
113.02467	1.3
114.62550	0.8
117.03445	0.9
119.03465	1.0
121.02977	1.5
127.04034	1.5
127.42576	0.8
131.03485	1.2
133.01482	1.0
133.02975	2.1
134.03818	1.8
135.04546	2.3
136.01668	2.7
145.03021	1.6
146.03770	3.9
147.04526	3.5
148.04144	0.9
149.04550	2.7
149.06062	0.7
151.04016	2.9
158.03767	1.4
159.04547	1.9
161.02426	3.7
161.06049	0.9
171.02995	0.8
173.04562	2.4
179.03571	1.3
185.02406	1.0
191.05627	50.5
192.06041	0.9
205.12325	0.9
209.06143	1.6
211.91527	1.0
221.06189	1.5
223.04095	1.3
225.05486	1.1
229.01419	10.3
237.05646	2.9
238.06355	2.2
240.04146	1.1
241.08670	1.2
248.04935	1.8
249.05705	4.8
249.11339	1.3
250.06198	1.0
252.04425	2.2
255.03307	1.7
265.05084	10.8
266.05869	30.3
267.06558	7.2
268.07401	1.5
275.07297	1.0
276.04242	1.6
277.05142	3.2
281.08212	13.4
283.06009	0.9
283.09790	2.3
285.04059	7.8
293.04623	6.2
294.05368	11.1
309.04178	1.4
309.07700	13.3
312.06061	0.8
325.06784	0.9
327.08801	6.0
329.06583	1.5
338.04279	2.2
339.04907	0.9
353.06699	100.0
354.07013	5.8
391.05481	2.0
423.14584	0.9
463.09314	1.0
482.40042	0.9
501.14066	1.4
545.12512	5.5
545.26831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	2.8
69.24707	14.4
71.01394	4.4
74.26177	2.2
78.95912	100.0
96.96967	4.1
99.92606	19.9
100.93382	6.0
110.69286	2.4
110.98551	15.8
115.92097	7.7
116.92870	10.8
150.97882	3.0
152.99619	20.1
163.89763	5.1
164.90562	8.4
164.99602	5.0
167.01154	12.6
175.55060	2.3
178.88412	10.3
179.89221	23.9
180.90045	18.6
181.90753	8.7
192.98837	3.8
193.90804	34.3
194.91576	15.6
196.89514	65.5
197.48466	2.5
210.91100	6.7
250.94243	6.7
266.93768	5.4
267.94373	4.1
277.21677	12.1
295.25970	2.7
324.65137	2.8
527.15033	15.8
541.13306	8.0
545.16193	46.3
545.24316	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	545.163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03453	0.5
59.01387	7.5
61.98836	100.0
62.86796	0.3
71.01394	4.8
71.05036	0.3
72.99282	0.5
73.02941	2.0
77.29949	0.3
79.73895	0.3
83.01409	0.4
85.02955	1.7
87.00893	1.7
87.35741	0.4
89.02455	4.1
93.03461	0.5
99.00883	0.6
99.04560	0.3
101.02440	3.4
113.02504	0.9
113.95291	0.4
119.03551	0.5
125.02411	0.4
125.59234	0.4
131.03529	3.5
133.02992	0.5
135.04520	2.5
137.02441	0.5
149.04614	1.4
153.09880	0.4
161.02490	0.6
161.04669	0.6
177.02048	0.5
179.03537	2.0
191.05562	2.3
211.09785	0.5
224.22284	0.4
225.67398	0.4
264.12186	0.4
285.04163	0.7
340.28412	0.4
545.25897	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	545.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84673	3.8
51.61440	3.9
61.98824	17.2
71.41957	5.3
81.88757	4.0
96.95988	4.1
101.01556	5.3
137.02448	5.8
145.43533	4.2
161.02518	5.6
161.06064	8.4
161.16982	4.3
185.68530	4.1
187.07623	6.3
199.07684	5.9
217.08713	50.2
222.03957	12.0
249.00578	4.6
253.98367	4.6
305.13950	7.6
322.14099	18.0
323.15048	100.0
384.09488	10.0
546.14917	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	545.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	62.4
61.98837	100.0
71.01375	21.2
71.42002	8.5
73.02948	11.6
85.02985	14.6
87.00861	11.3
87.04511	18.4
89.02435	14.3
93.03450	7.3
99.00919	11.8
100.07432	7.3
101.02460	25.3
113.02439	11.8
145.79474	7.7
168.67245	7.4
173.04527	9.5
191.05664	59.8
201.11462	11.2
209.11906	11.2
223.07741	7.9
224.07909	11.0
225.11346	11.9
250.08771	37.9
251.09081	68.0
253.09122	14.3
291.19736	14.0
309.00916	8.1
309.20667	33.5
353.13760	11.9
409.51218	8.3
485.23972	9.6
501.27396	13.6
527.28546	12.2
545.24512	31.4
545.32928	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	545.2376
Annotation	[2'S,3S,3'R,7'R(R)]-7'-Deoxo-2'-deoxy-2',3'-epoxy-3-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
50.54786	4.9
51.08066	5.6
53.70596	4.6
59.01375	19.1
59.55626	6.0
61.96979	5.4
61.98835	13.2
63.38128	5.7
69.14640	42.8
71.01389	13.9
77.70653	5.6
84.62823	5.5
85.02945	10.2
87.04520	70.0
97.98674	5.6
101.02486	9.9
413.26010	9.8
435.88986	7.0
509.26108	100.0
545.23730	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81990	2.4
52.15988	3.2
57.03444	3.2
59.01380	24.5
61.98835	100.0
71.01399	14.6
73.02953	6.2
76.27860	3.0
78.85187	2.4
83.01378	3.2
85.02966	10.0
89.02447	12.4
101.02466	11.8
113.02487	4.6
119.03535	3.3
121.02943	3.6
133.02956	4.0
135.04532	10.6
141.61526	2.6
146.79556	2.8
148.04057	7.5
149.04593	5.0
161.02396	6.3
177.02028	7.1
179.01990	2.8
179.03548	9.9
233.74855	2.4
251.16556	3.3
290.25848	2.8
339.01437	2.8
406.32370	3.0
545.16980	6.9
545.27039	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81990	2.4
52.15988	3.2
57.03444	3.2
59.01380	24.5
61.98835	100.0
71.01399	14.6
73.02953	6.2
76.27860	3.0
78.85187	2.4
83.01378	3.2
85.02966	10.0
89.02447	12.4
101.02466	11.8
113.02487	4.6
119.03535	3.3
121.02943	3.6
133.02956	4.0
135.04532	10.6
141.61526	2.6
146.79556	2.8
148.04057	7.5
149.04593	5.0
161.02396	6.3
177.02028	7.1
179.01990	2.8
179.03548	9.9
233.74855	2.4
251.16556	3.3
290.25848	2.8
339.01437	2.8
406.32370	3.0
545.16980	6.9
545.27039	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2758
Annotation	CHEBI:70545
Peak:m/z	Relative Intensity
58.79724	1.8
61.98836	4.4
71.40234	3.0
71.64297	1.9
72.75571	2.3
121.02934	4.3
133.03000	21.9
134.03772	44.3
135.04555	41.6
137.02466	22.2
139.04039	7.1
150.03250	2.5
161.02444	33.0
178.02757	10.8
179.03551	26.7
401.15234	2.3
420.01028	2.2
427.24939	3.6
453.22754	11.2
471.23834	11.6
545.27612	100.0
546.28076	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	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07187	0.3
56.96061	0.3
57.03446	0.3
59.01383	10.2
61.98820	0.9
63.04054	0.3
67.05521	0.3
71.01386	7.2
71.23312	0.4
71.57420	0.3
71.94761	0.3
73.02943	1.5
83.01379	0.4
83.05026	0.4
85.02930	0.6
85.06625	0.3
87.00871	0.6
87.24999	0.3
89.02451	5.9
97.40439	0.3
99.00898	1.3
101.02448	2.8
104.12509	0.3
109.06589	1.7
111.08168	0.6
113.02433	1.1
119.03537	0.4
121.06597	0.5
125.02425	0.4
127.07661	6.7
131.03516	1.4
138.06934	0.3
139.07658	6.0
149.04567	4.0
153.09244	0.8
155.07149	0.3
157.08711	100.0
158.08977	1.9
161.04590	1.0
179.05664	0.3
191.05630	1.2
195.06616	0.4
225.14940	0.7
285.04126	0.5
347.17203	0.4
387.20123	0.5
485.17154	0.6
522.13361	0.3
525.76068	0.4
545.18774	0.8
545.26465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06836	1.2
58.02972	3.4
59.01389	8.6
61.98836	3.8
70.52052	1.0
71.01386	26.2
71.51219	0.9
73.02966	1.7
73.04075	4.4
82.95417	1.3
84.95112	4.4
85.02980	2.1
87.00880	1.1
87.05651	14.9
88.04050	17.7
88.66721	1.1
89.02451	5.5
92.26579	1.0
93.03468	1.7
99.05661	3.2
101.02450	2.3
109.02955	1.4
110.02499	7.2
110.03623	1.5
111.05687	2.0
112.04065	1.6
113.02464	1.9
115.00388	26.6
119.03488	1.7
126.06760	6.2
127.05187	1.8
129.06721	21.6
129.10335	2.0
132.03041	19.1
134.03763	1.3
141.10329	1.1
141.32802	1.0
144.07803	24.7
147.06010	1.1
148.04382	5.1
148.06383	1.3
149.04587	1.5
151.08754	1.5
152.01117	1.1
161.02498	3.1
167.11938	3.9
168.07816	13.1
168.11435	2.4
169.09845	2.5
169.13536	1.4
175.04028	1.8
177.10364	7.2
179.05626	3.9
186.08870	15.8
191.05624	2.5
203.10771	1.5
212.14047	4.6
217.13782	2.4
219.08159	1.7
225.10712	12.5
238.15619	1.2
242.13364	8.0
243.11600	1.6
245.06030	1.5
260.14413	13.8
261.12860	1.3
267.06604	1.5
271.02521	1.7
274.15952	1.6
281.16370	1.4
283.02768	1.2
285.04172	6.7
286.12424	2.7
299.15390	4.4
301.03458	1.2
317.16589	3.9
345.19745	1.6
388.20395	3.6
392.09476	1.7
412.20264	1.7
430.21313	52.6
431.19717	69.0
432.19803	3.6
502.23343	9.2
512.85754	1.2
541.61053	1.2
546.22400	100.0
547.22589	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	546.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.3
58.55711	2.1
59.01386	73.8
61.98844	10.2
66.37029	2.1
70.78970	3.5
71.01389	56.8
73.02949	15.3
81.03445	2.1
83.01392	5.8
85.02981	15.3
86.55703	1.9
87.00882	5.2
89.02454	66.1
95.01425	2.0
97.02953	2.7
99.00893	12.2
101.02460	41.2
109.02978	2.0
111.00905	3.4
113.02460	17.9
113.47503	1.8
119.03513	7.6
125.02463	5.2
131.03534	17.5
135.04556	3.1
149.04593	33.0
161.02434	3.7
161.04576	7.8
179.05653	3.4
189.05608	3.1
191.05673	11.5
209.15573	2.3
221.06677	2.5
233.06612	4.3
246.89607	2.1
251.07573	2.0
258.11627	2.2
285.03995	5.8
371.20859	11.9
415.22855	4.4
484.92599	2.2
503.25055	100.0
504.25314	4.9
546.26300	2.7
547.28210	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	546.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	2.3
57.46449	2.1
59.01385	83.8
61.98837	16.0
65.51563	2.0
71.01388	51.8
73.02953	18.0
83.01410	2.0
85.02958	9.9
87.00890	4.8
89.02455	100.0
96.96008	2.6
99.00886	17.6
99.59092	1.8
101.02461	41.6
107.91521	2.0
109.02961	7.8
113.02465	11.8
119.03513	6.4
125.02428	4.7
131.03517	23.5
135.04553	2.2
139.48372	1.9
143.03488	2.9
149.04572	92.8
158.03752	2.2
159.04454	3.0
161.04601	3.8
179.05614	2.0
179.10774	4.3
191.05592	21.9
213.95201	2.1
221.06650	6.8
223.09895	4.2
227.03362	3.0
229.01402	2.9
251.07695	6.3
251.29955	2.2
255.03069	5.1
267.06464	5.4
284.03162	5.2
285.04044	18.7
295.06000	3.6
311.09824	3.9
339.05051	7.1
340.15173	2.1
341.67075	2.3
349.18881	2.5
354.06848	2.2
389.09357	3.4
447.09247	5.8
503.24991	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	546.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88091	1.2
58.02976	4.8
59.01385	26.8
60.01728	1.8
61.98838	16.1
71.01395	13.1
72.00924	1.8
72.01733	2.1
73.02960	6.0
73.04076	11.9
74.02096	2.1
74.02481	21.9
84.00935	1.8
85.02952	2.9
85.04103	3.2
86.02477	2.5
86.75146	1.4
87.05657	2.1
89.02456	22.5
90.02773	2.5
99.00912	3.6
99.05635	2.0
101.02451	12.3
104.03555	10.7
111.02018	4.3
112.02799	2.8
113.02454	4.1
113.03596	4.7
115.08774	10.3
116.07149	1.6
119.03545	1.9
120.63463	1.1
125.02483	1.4
125.03530	1.5
129.10359	2.9
130.08766	3.7
131.03557	5.7
133.02872	1.3
138.05644	2.3
139.08826	3.9
140.07182	5.1
141.10379	3.1
143.11932	9.9
149.04585	12.9
150.04921	2.6
153.10330	2.6
154.09859	4.4
155.08339	3.0
155.11925	14.1
157.09830	11.8
161.04601	1.5
165.10332	2.7
169.09836	14.2
172.10944	36.6
173.12965	1.4
181.09776	2.2
183.11440	3.0
186.12489	5.3
187.10896	6.8
191.05597	3.5
192.06010	1.4
193.08380	1.2
196.10951	7.3
197.09367	1.2
200.14066	12.2
209.09274	1.6
212.14055	11.1
214.11992	40.2
226.11974	3.0
228.13586	1.7
230.15237	3.6
244.13072	8.2
257.16360	2.7
269.16266	3.6
271.14069	1.6
285.04083	2.3
308.14893	2.4
313.15253	1.7
340.13754	1.4
346.15952	5.7
356.22992	2.9
368.22922	2.2
385.20795	2.6
400.22141	1.6
410.24048	4.5
430.10953	1.4
442.23123	16.4
454.23071	3.0
459.24719	1.4
472.24149	22.6
484.24307	7.3
486.25867	1.5
502.25241	54.3
503.25732	2.9
516.26843	20.3
517.27448	1.6
528.26569	7.3
546.27850	100.0
547.28143	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	546.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84084	1.8
61.98834	100.0
69.24797	6.9
69.25202	4.6
70.54604	2.0
71.53118	1.9
73.53819	1.9
78.95901	4.7
84.19913	2.1
88.08446	1.9
200.99994	2.0
239.68901	1.8
433.89511	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	547.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.24976	1.5
57.03421	1.9
59.01385	44.6
60.27694	1.2
61.98854	1.2
64.95862	1.5
69.03460	4.1
69.08644	3.3
69.09058	7.6
71.01389	59.7
72.99318	1.5
73.02942	11.4
74.47094	1.5
79.12935	1.2
81.03450	1.4
83.01392	3.9
85.02962	18.9
87.00903	2.3
89.02453	28.3
95.01391	4.8
95.70979	1.5
97.02984	1.6
98.22606	2.8
99.00899	5.2
101.02453	25.6
107.59682	1.5
108.02187	100.0
109.02972	42.8
111.04510	2.0
112.01683	10.9
113.01719	2.8
113.02462	42.0
115.04050	1.4
119.03509	9.8
119.04996	1.7
121.02966	2.8
123.04516	3.2
125.02464	2.1
131.03516	8.3
135.04443	1.4
143.03493	5.4
144.51651	1.5
151.03989	7.7
155.03523	2.3
159.03009	5.1
161.04582	63.8
163.04024	3.2
167.36728	1.2
173.04532	2.5
179.05606	9.4
190.45279	1.4
271.05466	2.8
271.08243	33.0
275.07751	42.0
285.94922	1.2
293.08859	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	547.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15297	0.9
55.01893	1.2
57.03459	2.5
59.01387	49.4
69.03457	8.3
70.21167	2.2
71.01391	58.9
72.99326	1.7
73.02956	13.9
75.14649	1.0
81.03460	2.1
83.01382	4.0
83.05033	2.8
85.02964	20.9
87.00870	3.1
89.02454	35.0
95.01397	4.4
98.21941	1.6
99.00872	3.9
101.02456	31.4
108.02186	100.0
109.02977	50.8
111.04530	2.2
112.01671	11.5
113.02464	46.7
119.03511	12.5
119.04854	0.9
123.04511	5.1
125.02457	3.4
131.03525	9.2
135.04543	4.4
143.03511	4.8
146.03732	2.5
149.04477	1.4
151.04042	8.1
155.03551	2.6
159.03030	6.6
161.04579	66.5
163.04034	4.7
173.04521	2.1
179.05707	8.9
179.07072	2.1
271.08270	33.5
271.11212	1.7
272.08563	1.8
275.07776	38.4
293.08786	4.1
385.14880	2.4
483.27539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
59.26250	0.2
61.98819	0.8
63.83197	0.2
63.97301	0.2
65.00345	0.3
65.34639	0.2
69.34854	1.1
71.01376	0.7
73.02922	0.3
74.95900	0.2
78.27261	0.2
87.00851	0.2
88.62073	0.2
89.02458	0.9
89.90320	0.2
96.96017	0.4
98.21889	0.4
99.00863	0.4
101.02443	0.6
105.36221	0.2
109.02941	0.3
113.02464	0.4
117.03477	0.4
129.07130	0.3
132.02200	0.3
133.02919	0.5
135.04546	0.3
136.50334	0.2
137.44698	0.2
141.07092	0.4
143.05086	0.3
146.08264	0.6
149.02412	0.2
149.04593	0.5
153.07047	0.5
155.05009	0.5
157.06601	0.6
159.04517	2.9
160.01691	0.3
160.03973	0.4
161.02464	0.8
164.03575	0.4
167.05006	0.7
169.06583	1.5
171.04564	0.7
173.06100	1.1
179.05025	0.4
180.05826	0.7
181.06557	1.4
182.03746	0.7
183.04526	6.6
184.04953	0.3
185.06119	1.2
195.04497	1.5
196.05298	2.6
197.06093	5.4
198.03210	0.5
199.04030	1.1
201.05608	1.7
208.05220	0.5
211.04042	0.5
212.04733	0.8
213.05609	5.8
223.03993	0.8
223.09808	0.3
224.04810	4.0
225.05571	15.5
226.02744	0.6
226.06006	0.5
226.08057	0.2
227.03494	1.7
239.03506	0.6
240.04285	2.6
241.05072	12.5
242.05217	0.4
243.06702	1.8
251.03395	0.5
267.02911	0.5
268.03726	1.3
269.04559	100.0
270.04898	2.9
277.12173	0.3
287.05630	3.0
346.07703	0.7
416.11884	0.2
417.11292	0.7
547.17621	2.0
548.17554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	6.2
78.95905	100.0
99.92598	29.7
100.93378	10.7
110.98551	21.2
115.92081	16.4
116.92860	20.1
154.94434	6.4
163.89754	9.5
164.90451	12.8
164.99550	8.3
167.01154	11.1
178.88426	16.6
179.89214	42.9
180.90068	24.8
181.90793	10.1
183.06955	5.1
193.90779	52.9
194.91629	24.8
196.89496	87.0
210.91068	10.5
238.18752	5.7
249.93437	8.0
250.94362	6.3
252.30858	6.3
267.94211	5.6
276.91953	5.1
277.24283	5.6
279.23315	19.4
403.29340	5.9
417.70587	6.4
502.11563	5.9
505.02414	6.3
529.16461	15.0
543.14758	14.9
547.17731	98.0
548.18036	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	547.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59947	1.5
57.03456	1.6
58.00583	1.6
59.01385	100.0
60.32747	1.4
67.26028	1.7
69.03459	3.9
69.20232	7.8
71.01386	40.1
72.99313	2.3
73.02951	18.6
81.03481	4.5
83.01420	3.4
85.02970	14.3
87.00919	3.6
89.01941	2.3
89.02457	28.8
93.95283	1.4
94.06250	1.5
97.02951	7.8
99.00863	2.2
100.96966	1.3
101.02461	34.7
103.04026	30.7
109.02978	2.1
113.02466	2.4
115.04011	1.9
119.03501	14.7
120.14707	1.6
121.02977	1.5
125.02453	31.2
127.04026	3.4
131.03491	1.9
133.03041	1.5
143.03529	3.3
145.05087	4.9
146.03751	68.6
147.04182	2.0
161.04742	2.9
161.06091	32.4
162.40245	1.7
163.06145	31.1
164.04924	7.1
164.06027	1.5
165.07744	1.4
179.07146	35.9
190.11383	1.6
205.07144	1.9
247.08226	9.4
307.10352	23.9
319.25491	1.4
386.11462	1.4
401.93295	1.4
455.99524	1.6
476.32907	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	547.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12018	0.9
55.01867	1.1
59.01385	55.2
61.98833	2.6
69.03459	2.6
69.48443	1.8
69.48837	1.6
71.01387	23.5
71.74986	1.0
72.99316	1.2
73.02957	10.1
78.64217	0.9
80.06222	1.1
81.03481	1.6
82.27555	0.8
83.01375	3.0
85.02953	10.2
86.15468	0.8
87.00892	2.3
89.02457	16.2
95.01435	0.9
97.02959	5.5
98.21837	1.4
101.02452	18.5
103.04024	15.9
113.02427	2.5
114.98290	1.0
115.00372	2.6
119.03526	8.9
125.02459	17.9
127.04000	2.1
133.02950	4.0
135.03557	0.9
135.04555	3.3
143.03566	1.4
145.02936	2.7
145.05095	2.2
146.03752	82.9
146.13451	0.9
147.04428	2.8
161.02457	2.5
161.06097	22.0
163.03983	3.4
163.06128	16.8
164.04814	53.1
165.05151	1.8
168.80775	0.9
175.02464	3.4
177.01967	1.1
179.07146	100.0
180.07556	2.0
195.27910	0.9
220.54381	0.9
247.08316	4.4
260.39771	0.9
307.10379	13.1
381.28326	1.0
385.15341	1.5
487.13846	0.9
493.98108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
57.03457	3.0
59.01387	89.4
61.98835	25.3
62.24454	1.3
69.73753	2.1
69.74117	2.6
69.96852	1.1
70.23778	1.1
71.01388	50.7
72.99328	2.6
73.02950	28.4
75.00889	1.6
83.01402	7.4
85.02970	14.7
87.00883	8.3
88.98819	1.6
89.02454	46.6
93.03474	1.6
94.21056	1.3
95.01410	2.7
95.05015	1.3
97.02945	5.5
99.00909	2.1
101.02457	49.3
108.05846	2.7
109.06663	1.5
113.02462	21.3
113.06135	2.2
115.04008	1.8
116.92865	1.5
119.03516	25.2
123.08153	4.6
125.02454	4.3
125.06084	4.8
129.01924	1.6
131.03503	4.6
133.02951	1.9
135.04488	3.0
136.05319	1.9
138.06886	13.7
139.07718	6.6
141.01657	1.3
143.03503	7.0
143.07074	1.4
149.04703	1.5
149.05992	1.8
151.07689	17.4
152.04778	1.8
152.08467	9.0
153.09229	88.0
161.02441	3.8
161.04578	46.8
161.09740	5.7
163.11304	3.4
165.09163	2.1
179.03403	2.0
179.04198	1.6
179.05640	14.9
179.10690	1.6
187.09715	1.3
190.90083	1.3
191.05656	4.8
205.12357	44.0
206.12663	2.1
221.06691	6.8
223.13399	28.8
235.08186	1.5
259.83630	1.3
263.07788	4.1
285.04178	2.4
285.92065	1.3
307.84579	1.4
323.09842	2.1
385.18729	76.3
386.18890	4.2
473.86359	1.4
547.24042	100.0
548.24359	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	547.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	19.8
61.98830	23.5
64.10973	17.6
69.25036	100.0
72.61613	17.1
97.08220	15.7
100.27579	18.0
114.01823	16.6
124.18262	16.5
159.06546	17.5
191.03561	30.7
413.60431	17.4
420.35638	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	22.8
66.12115	24.0
67.16625	21.0
69.16960	41.7
69.17368	100.0
70.04963	20.5
73.86443	26.3
86.75321	22.4
98.21899	55.3
104.01453	20.8
207.86137	22.4
275.08954	21.9
297.68149	25.3
430.21722	27.3
469.78339	22.6
546.92194	21.7
553.18433	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	547.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01923	0.8
57.03477	1.3
59.01385	19.7
61.98837	4.0
65.49544	0.4
69.03499	2.2
71.01389	13.8
71.05056	0.6
71.41767	0.5
72.99371	0.5
73.02953	6.9
74.41087	0.5
75.00913	0.5
77.66892	0.5
77.67307	0.5
83.01431	1.6
85.02953	4.9
87.00919	1.6
87.04579	1.6
89.02452	11.1
93.03474	3.1
95.01427	1.0
96.96067	1.0
97.03017	1.3
97.06612	0.6
99.00882	3.0
99.04568	0.8
101.02444	7.3
101.06145	1.0
109.02992	0.8
109.06647	0.7
111.08218	0.9
113.02446	4.0
119.03576	1.8
123.04588	0.6
123.08196	1.0
125.02534	2.1
125.09723	4.9
127.11376	1.6
131.03575	1.8
133.02943	2.9
133.04845	0.5
135.04579	2.1
137.02460	5.7
137.09750	1.3
139.11308	10.9
139.12294	0.7
143.03561	0.7
143.10831	1.0
149.04579	4.2
151.00359	0.5
151.11290	0.5
155.10878	1.4
159.04544	0.5
161.02472	3.3
161.04584	3.3
164.04807	0.5
167.10805	1.0
168.11566	3.8
171.10274	9.2
171.11620	0.7
172.10616	0.5
177.01932	13.5
178.02469	0.5
179.03545	1.5
182.25441	0.4
191.05606	1.0
197.15610	1.8
200.10583	1.9
225.05617	1.2
233.06691	1.2
241.05191	1.1
249.66776	0.5
257.17276	0.5
269.04605	10.4
275.20319	1.3
279.23337	11.6
284.03226	1.0
285.04156	2.3
293.08859	0.8
293.21231	1.4
309.20901	0.8
311.22305	28.9
312.22766	0.9
323.22272	20.3
324.22443	1.0
325.20190	0.8
341.23285	4.4
349.20291	1.2
355.21365	1.1
365.23315	0.9
367.21155	3.2
385.22321	100.0
386.22626	4.2
409.22299	3.7
415.23218	2.8
427.10315	0.6
427.23392	3.5
452.77032	0.6
503.11639	1.1
523.75836	0.5
547.19440	0.9
547.27521	21.6
547.36005	1.1
548.27673	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2916
Annotation	Paliurine E
Peak:m/z	Relative Intensity
70.00742	1.2
83.65278	1.2
121.02966	2.4
123.71220	1.5
133.02979	22.6
134.03752	43.1
135.03632	2.1
135.04556	31.0
137.02475	18.8
139.04010	6.9
150.03209	1.8
161.02460	24.2
178.02722	13.2
179.03506	22.0
184.11127	1.3
191.24376	1.4
248.27725	1.3
255.03043	1.7
423.37158	1.6
429.26422	3.0
455.24506	9.8
473.25299	9.9
547.20874	4.0
547.29138	100.0
548.29449	8.4
552.33569	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	547.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.1
67.44694	1.9
69.46088	9.6
71.01360	4.1
92.76850	2.2
98.22656	4.5
101.02459	2.8
191.19414	2.0
209.19037	2.1
222.12767	2.4
251.20187	100.0
252.20421	4.9
253.09233	14.8
324.85626	2.0
403.47113	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	548.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73688	1.7
59.01387	25.6
61.98547	2.3
61.98837	23.1
69.17880	8.5
71.01387	18.9
73.02943	2.9
85.02948	3.0
87.00851	3.2
89.02455	23.9
101.02477	10.1
104.01563	1.9
113.02416	2.3
116.92807	2.1
125.02431	2.0
126.99606	9.7
131.03516	6.0
142.06300	2.0
148.05249	1.9
149.04558	12.6
151.03114	2.1
160.03946	2.5
163.07571	3.1
165.04788	3.3
167.06342	100.0
168.06670	2.9
191.05563	3.3
195.57320	2.0
211.05325	58.8
213.99646	1.8
228.15143	1.7
332.33987	1.9
357.43295	2.5
383.67471	1.8
422.10120	1.7
528.81989	2.2
548.27716	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	548.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.0
59.31045	0.2
61.98839	2.1
65.80817	0.2
71.01379	1.3
71.39347	0.2
73.02966	0.3
74.02498	0.3
81.78773	0.2
85.02966	0.4
87.04557	0.3
89.02454	1.2
101.02463	0.9
113.02469	0.5
116.05080	3.8
116.05848	0.3
119.03522	0.3
125.02418	0.2
131.03697	0.3
132.04588	0.3
133.03020	0.2
135.04526	0.5
137.09695	0.4
142.60475	0.2
149.04608	0.5
155.10812	1.6
159.03278	1.1
160.04071	100.0
160.70282	0.2
161.02396	0.2
161.04460	1.9
174.01982	0.3
174.05600	0.2
178.05159	0.4
179.03529	0.2
179.05663	0.2
179.10889	0.3
180.06714	0.6
181.08795	0.3
185.08199	0.3
199.09787	2.7
204.03043	9.5
205.03159	0.2
225.11388	0.3
241.10880	0.7
253.10892	0.2
276.20969	0.2
279.50845	0.2
283.11826	1.1
285.04279	0.2
300.37137	0.2
342.13599	0.2
343.14130	0.3
417.24915	0.3
504.19077	0.9
548.17792	17.1
549.17932	1.0
549.29187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71530	0.9
58.29093	0.9
59.01379	2.9
61.98836	17.9
66.88886	0.9
70.88749	1.4
71.01392	1.3
89.02449	1.4
99.08099	0.9
107.18898	1.0
134.03893	1.0
135.04485	1.4
141.46852	0.9
145.03029	1.0
154.49300	0.9
161.02467	1.9
177.01918	1.3
179.03459	1.8
189.01964	3.3
190.02733	3.3
204.04353	1.7
222.01672	1.5
229.05107	1.9
243.06526	3.7
243.08818	0.9
244.07236	1.3
267.06641	1.6
269.04459	0.8
269.05304	1.0
269.08200	9.2
311.12964	6.1
313.10834	4.1
328.13190	25.8
329.13620	1.1
343.15521	100.0
344.15921	5.6
506.12921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.2
61.98822	3.4
64.43790	1.0
69.13250	5.0
71.01396	1.5
74.63477	0.9
76.51474	1.0
76.75726	1.0
77.44554	1.1
89.02442	2.2
108.54782	0.9
123.04505	0.9
161.02452	1.3
189.01904	1.4
190.02650	2.6
199.07698	1.3
203.03474	1.2
222.01698	1.5
224.50171	1.2
232.65463	1.1
234.79210	1.0
243.06636	24.7
244.07365	1.2
257.08237	3.2
269.04535	1.2
275.97400	1.0
311.12756	3.4
321.48514	1.1
328.13138	21.7
329.13663	2.2
343.15491	100.0
344.15662	4.7
387.23993	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	548.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67859	0.9
55.98035	1.0
59.01385	22.1
61.98839	100.0
63.64711	1.0
67.27026	1.0
70.04288	2.9
71.01389	3.5
72.53841	1.0
73.02959	4.2
75.92077	1.0
85.02956	1.8
89.02477	1.3
101.02447	7.7
107.79576	1.1
112.98861	1.2
113.02481	2.4
115.76625	1.0
128.73999	1.1
133.72433	1.1
135.04532	2.1
135.80432	1.0
155.16322	1.2
159.89423	1.1
161.04521	1.9
403.60068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25471	1.2
59.01385	30.9
60.47579	1.1
61.98839	100.0
66.81386	1.2
69.28145	7.8
71.01380	3.0
73.02956	3.9
73.33957	1.3
83.56696	1.4
89.02478	2.0
101.02441	3.6
106.12228	1.3
113.02480	3.1
115.30551	1.5
118.82761	1.7
134.11409	1.4
140.10458	1.1
166.48204	1.4
190.32466	1.3
199.62903	1.3
240.73790	1.3
298.32843	1.4
343.27225	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	548.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79641	1.2
55.01884	2.1
57.03452	3.2
59.01384	50.2
60.01712	2.4
61.32570	1.2
61.98835	14.3
67.48058	1.2
67.85115	1.1
69.03441	2.5
71.01390	50.7
72.99310	1.7
73.02959	13.5
83.01401	5.0
84.60002	1.2
84.75645	1.5
85.02962	13.0
87.00879	3.8
89.02452	33.4
90.02787	2.0
95.01408	1.8
97.02989	3.2
99.00897	5.8
101.02450	34.5
111.00893	3.0
113.02461	13.6
119.03518	3.4
124.76192	1.3
125.02464	4.2
131.03529	10.7
131.64001	1.0
132.03824	1.3
135.04573	2.5
143.03519	3.1
143.78540	1.3
149.04564	13.7
160.04080	7.6
161.04581	8.6
179.05635	2.0
191.05609	3.8
215.05710	1.4
225.11440	2.8
233.06674	2.3
236.58440	1.3
285.03912	1.7
293.08865	3.0
353.65161	1.5
373.22311	14.9
503.25232	1.4
505.26602	100.0
506.26917	5.9
537.03381	1.6
548.16724	1.4
548.27795	6.4
549.29303	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	548.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.3
57.03444	3.7
59.01386	41.8
61.98841	2.7
69.03466	2.5
69.45966	6.9
71.01392	39.3
73.02947	17.7
75.00851	2.3
81.03465	1.6
83.01394	7.6
85.02950	16.5
86.48363	1.6
87.00911	2.9
89.02447	19.9
95.01414	4.4
97.02980	3.0
99.00889	6.9
101.02458	34.5
113.02471	12.8
119.03513	4.4
122.36051	1.5
125.02437	2.3
131.03529	2.3
135.04587	2.4
149.04547	5.6
160.03990	2.6
161.04590	10.4
179.05626	2.5
191.05559	2.6
207.03999	1.5
285.03778	2.0
301.60440	1.5
314.09702	1.9
335.71631	2.2
373.22339	16.2
387.20239	10.3
434.35199	1.7
456.93997	1.7
475.03000	1.7
503.24905	3.2
505.26627	100.0
506.27179	3.9
548.27997	2.5
549.25128	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	548.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30664	0.4
53.13285	0.4
61.98835	100.0
64.35343	0.4
69.29365	2.3
75.38177	0.4
113.97658	0.4
128.83665	0.4
148.60944	0.4
157.23547	0.5
167.42050	0.4
192.59807	0.4
202.45299	0.4
223.69434	0.4
250.18869	0.5
284.02429	0.4
397.48453	0.5
575.92657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87926	1.4
61.94477	1.3
61.98835	100.0
62.51640	1.2
71.14138	1.9
78.39783	1.7
84.61318	1.4
112.41103	1.7
139.72928	1.5
246.16533	1.6
256.36407	1.5
292.96750	1.6
389.16003	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	548.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
58.67844	2.4
59.01385	95.1
61.98838	25.6
69.03504	2.3
69.09538	14.8
71.01390	67.4
73.02943	15.3
74.02499	2.3
82.95442	4.7
83.01408	3.4
83.12173	2.1
85.02976	9.2
87.00895	4.7
89.02454	93.8
93.30134	1.9
94.98115	3.0
99.00893	24.6
101.02451	46.4
107.05089	2.4
108.02163	3.4
109.02949	4.1
111.00900	4.0
113.02457	20.2
116.33891	2.1
119.03506	8.5
119.05062	4.6
121.02941	2.7
125.02490	5.3
128.03500	2.5
131.03516	29.8
134.03752	7.9
134.06168	5.4
135.04556	10.8
136.04906	2.1
143.03529	4.2
146.03690	2.2
147.04550	7.3
149.04573	78.5
159.04446	3.3
159.64575	1.9
161.02496	2.8
161.04585	4.3
163.03976	5.7
175.03951	2.4
178.02805	3.7
179.03522	4.3
179.05661	4.8
190.05101	7.6
191.05617	21.3
193.05147	3.9
207.03043	11.9
221.06667	3.4
229.01312	2.2
235.06065	3.4
251.07835	7.5
255.02959	2.7
269.04526	2.4
271.02313	2.4
277.05273	3.3
285.04056	7.1
293.08734	5.4
300.02783	4.3
301.03494	6.5
337.12094	5.8
387.10941	7.1
505.26599	100.0
506.26865	4.3
517.18384	9.1
548.27844	3.1
549.20605	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	549.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65532	0.3
53.78961	0.4
61.98839	0.7
62.47298	0.4
69.82761	1.1
77.03979	2.3
121.02966	100.0
122.03299	1.6
136.35519	0.4
158.77061	0.4
165.01944	51.5
166.02263	0.9
181.06584	2.1
197.06085	2.3
207.04495	0.8
221.83165	0.4
225.05650	1.1
239.10551	0.4
251.75601	0.4
257.09631	0.7
285.09320	0.6
313.07138	1.3
355.56500	0.4
357.06168	0.7
383.07635	0.7
417.10059	2.2
505.11447	1.7
549.10461	25.6
550.10858	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
57.03455	2.5
58.00610	1.0
58.80414	0.6
59.01386	100.0
61.98859	1.0
71.01392	59.9
72.01735	0.7
72.99332	1.9
73.02956	7.3
75.98621	0.6
81.03513	0.8
83.01392	3.1
85.02964	14.5
85.06602	9.9
87.00892	4.7
89.02456	67.9
90.02800	1.0
95.01392	4.6
97.02987	1.0
99.00909	2.0
101.02455	44.5
113.02467	23.4
113.06098	3.1
115.04038	2.9
119.03522	31.1
125.02441	3.9
125.96108	0.6
129.05621	0.7
131.03537	5.5
131.07271	0.7
134.06172	1.1
137.02473	0.6
137.09772	0.6
143.03505	7.6
143.04472	0.8
149.04575	4.1
153.09207	1.2
157.05084	1.2
159.03021	1.2
161.04584	14.6
162.05751	0.7
165.09291	0.8
179.05637	30.5
180.06020	0.8
181.08868	0.7
189.07697	5.2
189.12822	0.9
191.05615	0.8
192.06607	0.9
212.10286	0.7
221.06738	2.9
225.14948	1.0
305.08774	1.8
323.09772	1.6
369.19293	3.7
375.40057	0.6
376.12936	0.7
387.20193	9.4
489.19617	2.3
549.16248	2.9
549.25647	34.5
550.25922	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	549.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
57.03451	2.0
58.80362	0.9
59.01385	100.0
60.01711	1.2
61.98812	2.1
69.87523	2.9
71.01388	68.2
72.99326	1.6
73.02950	9.2
74.16710	1.2
74.54243	1.0
83.01412	4.3
85.02959	17.0
85.06597	23.7
87.00879	4.2
89.02454	72.4
89.30141	1.2
95.01402	4.4
97.02961	1.8
98.27424	1.0
99.00887	2.2
101.02455	49.2
113.02464	29.9
113.06076	6.0
115.04016	4.7
119.03520	30.4
125.02475	6.4
131.03503	4.5
137.02443	2.0
137.09729	1.6
143.03520	8.9
146.03745	1.1
149.04567	4.3
157.05054	2.5
159.03014	2.2
161.04593	22.0
166.02853	1.4
179.05646	44.3
181.05139	2.1
189.07765	8.8
207.13890	1.2
221.06592	5.2
305.09003	1.5
323.09937	3.3
324.60040	1.4
369.19214	3.7
387.20273	20.6
549.15985	6.6
549.25482	18.3
550.26233	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.8
61.98827	10.3
67.68614	2.0
69.21162	11.6
71.01392	14.1
73.02959	5.1
77.87419	1.8
82.52938	1.9
85.02938	4.4
89.02457	11.3
93.43242	1.9
96.96004	1.9
99.00894	3.3
101.02462	6.5
113.02490	4.8
119.03501	3.4
121.02993	4.4
123.08147	2.3
125.02470	3.6
125.09693	3.8
133.02965	8.4
135.04530	4.7
137.02489	3.2
139.11288	2.7
149.02477	2.8
149.04619	3.2
151.04073	3.0
154.54913	2.3
161.02435	17.3
161.06059	2.0
171.10344	2.9
177.01921	35.3
178.02318	2.5
179.03520	4.1
189.01991	2.3
199.07608	2.9
203.03651	3.0
204.04260	8.5
229.05019	2.3
243.06592	4.4
244.07375	10.5
269.04678	6.4
279.23315	4.1
280.23764	2.6
305.42999	2.0
311.22208	6.0
312.22705	7.0
313.22699	3.4
323.22406	2.3
324.22604	6.4
325.23026	3.1
327.12329	7.5
342.23837	2.5
343.15488	100.0
344.15701	2.9
351.21915	5.8
357.81894	2.1
385.22192	10.6
386.22614	29.3
387.23090	25.6
505.21036	3.0
548.28284	3.0
549.21497	2.7
549.28693	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	549.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.1
59.70245	4.7
61.98832	20.3
62.49073	5.0
65.30383	5.0
68.99818	18.4
69.22894	14.1
69.23299	11.4
71.01398	5.0
87.49010	4.4
104.60748	4.4
105.84123	5.0
108.02189	53.3
109.02962	11.2
113.02468	5.4
121.02852	5.3
122.03731	9.7
123.00860	5.6
123.04539	35.4
127.04034	10.4
132.02197	8.5
133.02965	6.1
135.04549	9.8
138.03291	7.1
150.03238	32.9
161.02357	9.1
162.03258	17.3
163.04057	7.4
166.04280	4.6
175.03986	4.6
177.01939	7.1
177.05617	24.9
178.02734	63.1
179.03465	13.5
193.05081	100.0
218.05844	11.0
251.07184	5.0
267.06592	15.7
279.06641	25.5
291.06583	10.6
294.08752	9.8
295.06189	30.5
306.08926	9.7
307.06210	43.8
307.47614	5.0
309.07764	7.9
310.08542	25.5
322.08478	21.0
324.09964	22.6
325.10947	42.7
337.10718	38.9
345.13437	8.4
377.10370	11.5
489.15503	9.6
501.15518	10.3
513.31213	7.4
519.16895	17.1
531.03754	5.3
531.16577	4.8
549.17755	99.6
550.18250	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	549.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42421	0.8
54.92715	0.8
59.01387	6.1
61.98829	0.9
63.53639	0.7
67.76150	0.9
70.96718	1.4
71.01372	3.6
73.02945	2.1
78.95909	3.8
79.95759	3.0
83.01382	1.3
85.02967	1.7
89.02453	2.6
92.94727	0.9
93.03423	1.0
96.27541	0.9
96.96021	100.0
96.96920	7.9
97.02949	1.2
101.02448	3.1
107.05016	1.0
108.02200	1.7
109.02970	5.0
113.02457	1.4
116.92876	5.3
121.02936	3.9
122.03740	1.8
123.00889	1.6
123.04530	2.3
124.47072	0.9
125.02439	2.7
133.02960	2.7
134.03722	3.1
135.04507	2.8
136.01677	37.8
137.02448	9.6
147.04460	1.2
149.02463	1.1
149.06059	1.1
151.00414	7.9
151.04024	55.7
152.04749	0.9
153.26158	0.9
159.04541	1.1
160.05324	1.0
161.02449	3.2
161.04550	1.1
162.03210	3.0
163.03951	2.6
166.02728	26.3
167.03429	2.1
169.60660	1.0
172.72820	0.9
175.04047	1.4
175.07713	1.5
176.01137	2.1
177.01991	5.0
178.02664	1.0
179.03468	1.5
181.05083	31.7
187.04008	1.4
189.01938	3.7
190.02725	1.7
191.03481	2.9
193.05069	3.5
200.10095	0.9
203.07085	1.0
205.05049	1.9
206.99806	1.0
234.59155	0.9
244.03580	0.9
245.08133	1.2
259.06152	1.5
289.07202	6.5
327.12225	1.1
329.10275	1.4
341.06744	4.7
345.13229	1.8
345.36728	0.9
357.09863	14.8
372.12088	6.3
387.14532	92.9
388.14780	4.1
397.02414	3.8
451.10172	2.8
489.04996	4.2
549.07275	1.2
549.29089	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	549.1985
Annotation	Eucommin A
Peak:m/z	Relative Intensity
55.01863	0.9
57.03457	2.0
58.76775	0.7
59.01385	19.5
59.17041	0.7
61.98837	3.0
69.03454	0.7
69.28428	2.7
71.01392	15.6
73.02951	4.5
83.01399	2.3
85.02950	5.7
87.00902	2.0
89.02454	8.6
93.03455	1.5
95.01408	1.5
96.96091	0.9
99.00909	1.5
101.02451	9.5
108.02180	1.0
109.02986	1.2
113.02452	4.1
119.03513	2.1
119.93163	0.7
120.99635	0.7
121.02947	4.2
122.03753	2.3
123.00932	1.7
123.04599	0.8
125.02464	2.3
131.03542	1.8
133.02945	1.7
134.03725	0.9
135.04578	2.0
136.01671	28.4
137.02521	5.3
143.03549	0.8
147.04539	1.1
149.04599	2.9
150.98392	0.9
151.00389	13.0
151.04024	45.9
152.01160	0.9
152.04771	1.4
159.04539	1.2
160.04124	0.9
160.05394	1.0
161.02518	1.6
161.04535	3.9
163.04037	1.1
165.01901	0.8
166.02728	41.8
167.03397	1.6
177.01932	1.7
177.05635	0.9
179.03549	2.2
179.05632	1.3
181.05083	44.3
181.12349	1.0
182.05376	1.1
189.05673	0.9
191.05623	1.7
193.05099	1.1
197.92487	0.7
203.07100	0.9
205.05038	1.0
225.11320	1.8
259.06104	1.5
285.04037	1.4
287.05664	0.9
299.09363	0.9
299.13150	0.9
329.10196	1.7
357.09851	8.9
372.12158	7.8
387.14560	100.0
387.20135	7.4
388.14975	4.6
417.21136	3.5
419.24057	0.8
437.90045	0.7
506.83167	0.7
549.16162	0.9
549.28473	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	549.1984
Annotation	Eucommin A
Peak:m/z	Relative Intensity
59.01392	2.9
59.79867	0.4
61.98824	0.7
71.01388	3.6
72.99300	0.4
73.02963	0.5
77.92558	0.4
85.02959	1.9
85.75246	0.4
86.38315	0.4
87.00912	0.4
87.47321	0.4
89.02457	1.3
93.03489	0.7
95.01363	0.9
98.22628	1.0
101.02460	1.7
106.93274	0.5
108.02219	0.9
109.02985	1.4
113.02470	1.3
121.02981	4.2
122.03735	2.6
123.00908	1.6
125.02480	0.6
134.03734	0.5
136.01678	37.1
137.02481	6.2
139.42693	0.5
149.02469	0.7
151.00397	12.1
151.04022	49.0
152.01129	1.2
152.04736	1.4
153.05646	0.4
159.04568	0.8
160.05327	1.3
160.81483	0.4
161.02473	0.7
161.04553	1.6
162.03236	0.9
163.04034	1.2
164.04788	0.4
165.01988	0.6
166.02733	42.1
167.03407	1.4
175.03970	0.9
175.07590	0.7
177.01976	1.9
177.05605	1.1
179.03526	0.7
181.05086	47.4
182.05377	1.0
190.06410	0.7
191.03575	1.0
192.04280	0.5
193.05237	1.0
205.05174	0.4
205.08694	0.9
207.06668	0.7
209.57982	0.4
223.41371	0.4
242.78746	0.4
257.87021	0.4
271.06171	0.7
311.09341	0.6
316.55673	0.5
329.10428	1.3
341.13885	0.6
357.09814	11.5
358.10086	0.6
372.12173	7.4
387.14526	100.0
388.14813	5.5
489.19409	0.5
494.63889	0.5
549.25452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46665	1.1
55.01867	1.8
57.03418	1.5
59.01387	77.9
61.98801	1.4
71.01392	42.6
72.99287	2.7
73.02953	5.2
82.95390	1.7
83.01366	3.4
84.95113	1.3
85.02956	8.3
87.00858	3.8
89.02455	30.2
95.01373	2.9
96.95974	1.2
97.02902	1.8
99.00877	2.4
101.02454	20.8
106.06602	3.1
109.02940	1.6
113.02460	13.9
116.05034	1.1
119.03529	10.8
121.02941	2.1
122.06082	3.6
130.02937	4.9
131.03751	7.6
132.04567	5.4
134.06143	43.9
146.03732	5.3
146.06068	3.6
147.03348	1.8
147.04530	21.6
148.04013	2.4
149.04524	4.5
152.07169	5.1
158.01367	1.3
158.02501	18.9
158.25778	1.3
160.04060	2.7
161.04489	3.8
162.03201	1.8
162.05536	4.9
165.04059	2.5
176.03419	1.9
176.04776	1.2
176.96448	1.1
179.05545	2.7
190.05124	75.8
191.05441	3.1
192.06570	3.5
202.05022	1.7
216.06613	1.3
221.06551	1.3
222.07732	30.9
234.07727	3.1
249.10239	2.0
254.85735	1.4
263.07993	2.5
274.40723	1.3
277.09677	3.5
278.10440	1.6
282.05106	1.3
293.08792	1.6
296.06659	1.7
305.09192	4.3
309.08701	3.7
309.12390	3.3
313.10757	6.1
314.09521	1.2
314.12497	13.5
337.11975	46.3
338.12222	2.5
357.09552	4.3
357.13766	1.5
369.10303	1.7
369.14557	29.2
383.07761	12.1
384.07822	1.2
387.16086	1.2
387.20258	9.2
417.21259	2.2
489.18222	1.7
506.26871	4.0
517.18335	88.8
518.18774	5.3
549.20593	100.0
550.20758	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	549.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72343	16.5
59.01382	47.7
61.78179	14.2
61.98827	53.1
65.07911	17.8
69.11454	83.9
70.10429	14.4
71.01374	23.9
84.92128	14.4
88.98822	18.8
89.02442	15.4
93.94582	14.5
94.23665	15.3
237.15056	100.0
265.59512	16.5
479.31757	19.0
489.92346	18.7
513.27277	31.1
549.21558	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32057	0.8
59.01382	30.7
69.37698	5.1
73.28088	1.2
87.21605	1.0
95.05742	1.0
98.22628	1.9
102.17239	0.8
104.02665	0.9
107.05052	1.1
162.53082	0.9
171.08212	1.4
187.07655	1.7
189.01979	1.2
190.02696	1.9
193.09183	1.1
199.07735	5.1
209.56676	1.0
214.97379	1.0
222.58157	0.9
243.06612	54.1
244.07091	1.7
312.13693	33.3
313.13904	1.0
327.16016	100.0
328.16351	4.5
378.50027	1.1
483.96063	1.2
488.25024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	38.4
61.98837	33.7
66.53034	12.4
69.11244	27.5
69.11647	54.0
71.01412	16.3
71.13020	12.5
73.02925	12.6
85.02956	16.7
88.93330	11.1
89.02419	13.2
177.42509	11.0
178.19203	12.6
286.27960	15.5
334.17978	16.4
348.88541	14.8
362.44815	13.9
381.23215	13.5
489.18658	14.3
513.27173	100.0
549.24695	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40656	0.3
54.33781	0.3
55.01881	2.1
57.03451	1.7
58.00590	1.1
59.01385	100.0
59.59357	0.3
60.01743	0.4
64.14108	0.3
67.59861	0.3
69.88132	1.0
71.01389	52.6
72.99321	1.7
73.02954	4.9
83.01401	3.0
84.02195	0.4
85.02959	12.9
85.06598	1.6
87.00886	3.3
89.02454	62.2
95.01403	3.9
97.02994	0.5
98.21961	0.4
99.00908	1.5
101.02452	33.5
102.02835	0.5
107.03559	0.4
113.02461	23.9
113.06097	0.5
117.00822	0.3
119.03513	28.5
125.02454	0.9
129.01949	0.5
131.03525	3.5
137.09715	1.8
138.06877	0.5
143.03520	4.9
149.04550	2.5
153.09206	0.4
157.62222	0.3
159.03008	1.0
161.04570	9.5
179.05640	14.7
189.07697	0.5
189.12857	0.6
191.05428	0.6
204.06686	0.5
207.13884	0.9
225.15034	1.1
225.39903	0.3
238.96475	0.4
279.48132	0.5
293.32611	0.4
369.19205	1.7
387.20273	7.9
489.19250	0.9
531.19427	0.5
549.25635	37.2
550.26147	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40665	0.4
54.07845	0.4
55.01884	1.3
57.03457	1.7
58.00613	1.1
59.01385	100.0
60.01685	0.4
66.04536	0.4
71.01388	57.8
72.99293	2.0
73.02955	4.5
75.00879	0.7
77.40650	0.4
79.84386	0.4
80.55341	0.3
81.96886	0.4
83.01404	3.1
84.72559	0.4
85.02958	12.2
85.06602	0.5
87.00909	3.1
89.02453	62.8
90.02776	0.7
90.22199	0.4
92.97460	0.5
95.01402	4.0
97.03002	0.4
98.22619	1.1
99.00904	1.2
99.04618	0.4
101.02451	33.3
111.00901	0.7
113.02463	21.9
119.03516	30.3
125.02486	0.8
131.03525	3.2
136.80739	0.4
137.09761	1.2
143.03517	4.0
149.04585	2.6
159.03041	0.8
161.04572	10.4
161.05859	0.7
166.02519	0.4
179.05638	10.9
179.35957	0.4
189.12856	0.9
194.07484	0.4
225.14951	0.8
310.47717	0.4
354.18405	0.4
369.19229	1.6
387.20242	7.2
388.20255	0.4
549.25586	37.7
550.25885	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	549.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.5
57.03434	6.4
59.01385	88.6
61.98830	5.5
67.93498	1.3
69.03445	2.5
69.16218	9.7
71.01389	96.5
71.05014	1.9
72.98413	1.5
72.99302	2.5
73.02959	26.5
75.00870	2.4
81.03494	2.6
83.01396	10.0
85.02966	30.4
87.00857	7.0
89.02455	66.2
93.03437	2.4
95.01385	5.3
95.04989	1.5
97.02956	6.2
99.00904	10.7
101.02454	78.0
111.00853	1.9
111.04531	1.7
113.02464	37.6
119.03513	26.0
123.08188	2.1
125.02451	12.0
127.83614	1.4
131.03520	8.2
135.04472	1.5
138.06876	14.9
143.03514	10.1
149.04541	6.0
153.08037	3.1
153.09224	41.3
159.03011	5.4
161.04584	46.2
172.21251	1.6
179.05603	18.6
179.07027	2.9
191.05614	3.4
207.13855	4.5
221.06700	8.6
225.14972	58.5
245.06906	2.0
252.83115	1.6
263.07761	5.9
323.09854	6.7
357.15488	3.9
387.15671	2.7
387.20352	50.2
401.69788	1.6
489.19879	26.1
549.25586	100.0
550.26306	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	549.256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32247	1.4
55.01883	3.8
57.03450	7.2
59.01388	90.1
59.73343	1.4
61.98845	2.1
71.01392	54.2
71.43379	2.2
72.99327	2.9
73.02955	43.8
75.00890	2.0
83.01407	7.6
85.02961	17.6
85.93578	1.5
87.00883	6.9
89.02464	45.2
89.58421	1.6
90.60685	1.4
93.03469	1.7
95.01421	2.1
97.02950	4.0
99.00903	2.6
101.02454	48.8
113.02457	19.2
119.03517	24.3
131.03520	2.0
137.02385	1.9
138.06888	14.8
143.03503	6.9
149.04572	1.9
153.09239	51.5
161.04587	47.9
163.11395	1.6
174.24120	1.7
179.05669	12.2
180.95869	1.9
191.05656	2.4
207.13904	6.6
221.06770	2.2
225.14983	68.2
226.15384	3.3
267.87067	1.6
285.04129	2.3
323.09879	2.2
376.76199	1.7
387.20294	100.0
388.20755	3.0
417.21118	1.8
549.25616	96.7
550.26068	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	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	5.1
55.16024	1.1
56.14201	1.0
57.03451	7.4
59.01384	87.4
66.97829	1.3
69.03448	2.1
69.09190	4.6
69.09594	3.1
71.01390	64.3
71.35691	1.1
72.99319	2.0
73.02950	17.7
81.03465	1.4
81.07063	1.3
83.01389	11.6
85.02957	32.0
87.00882	4.2
89.02453	44.4
95.01402	8.9
97.02956	3.0
99.00885	5.8
101.02451	59.0
111.00878	1.7
113.02463	43.3
119.03503	18.9
125.02459	2.9
131.03535	3.0
137.09743	1.3
138.06882	9.7
139.07629	1.5
143.03535	6.9
149.04509	2.5
153.09216	32.3
157.08702	3.6
159.02986	3.0
161.03250	1.5
161.04578	28.3
179.05597	12.6
207.13969	2.9
212.83490	1.2
225.14966	42.7
228.85625	1.2
257.12833	1.2
285.04031	1.7
323.09857	5.1
387.20255	37.0
388.20877	1.3
417.21426	2.4
448.88519	1.1
466.23105	1.0
489.19485	8.0
549.25574	100.0
550.26013	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	549.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.4
57.03454	7.0
58.00606	1.1
59.01388	100.0
61.66496	0.5
61.66855	0.6
69.03468	3.1
69.52332	2.9
71.01392	95.0
71.05051	1.8
72.01747	0.8
72.99335	1.3
73.02954	25.2
73.03374	1.3
75.00881	0.9
81.03426	1.3
83.01396	11.0
83.01894	0.6
84.02218	0.9
85.02961	30.9
87.00892	6.5
89.02459	66.5
95.01390	5.5
95.05051	1.0
97.02967	7.6
98.21837	0.9
99.00897	7.3
99.04534	0.6
101.02458	79.1
109.06595	1.2
109.28722	0.6
111.00914	2.8
111.04546	1.1
113.02470	37.8
113.06114	1.0
119.03522	32.1
123.08208	1.0
125.02466	16.0
129.01945	1.2
131.03526	9.2
137.06036	1.0
137.09662	1.5
138.06892	18.4
139.04056	0.6
141.01996	1.0
143.03528	11.8
143.05748	0.7
149.04576	5.2
153.09239	46.8
154.09528	0.8
155.10765	1.1
159.03061	4.5
161.04591	45.0
163.11284	0.7
163.77950	0.5
179.05649	29.0
191.05711	1.4
192.20634	0.6
193.44322	0.7
203.05621	1.3
206.84833	0.6
207.13957	3.6
221.06708	13.4
225.14993	60.6
226.15385	1.0
233.06644	1.6
233.27312	0.9
245.06743	3.4
252.88626	0.7
263.07761	7.1
267.09796	0.8
268.10251	0.7
323.09882	12.1
338.00613	0.6
352.11444	0.8
357.15579	0.9
365.84329	0.8
369.19171	0.9
387.20279	35.5
388.20749	2.0
487.20319	0.8
489.19803	11.5
490.20535	1.3
531.24109	0.9
549.25653	92.3
550.26117	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	549.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46896	40.7
70.35480	41.7
70.79156	74.4
74.34156	41.1
74.80801	40.3
78.95921	100.0
87.14594	46.1
88.60237	41.8
107.99864	39.4
116.92868	58.4
122.00807	41.1
140.77031	38.2
146.67145	50.4
164.46159	42.3
199.14485	53.8
412.59869	46.6
549.18188	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
57.03451	14.1
58.02967	1.2
59.01387	92.0
61.98549	1.5
61.98838	15.5
69.03467	3.0
71.01390	79.6
71.05038	1.1
72.99323	2.2
73.02955	29.4
74.02496	1.1
75.00894	2.7
81.03464	1.9
83.01382	9.4
85.02467	1.5
85.02961	24.6
87.00878	6.3
87.04540	2.6
89.02456	61.1
93.03479	2.0
95.01421	6.1
96.96021	2.2
97.02977	5.9
99.00896	19.0
99.04535	10.5
101.02459	52.7
102.02779	1.1
107.05032	1.5
111.00902	1.5
113.02466	23.2
115.04021	4.2
115.92065	1.2
116.92853	1.3
119.03526	8.4
125.02458	15.5
128.03596	1.5
129.01933	1.1
131.03539	9.8
133.02927	1.6
135.04547	2.8
137.09695	1.3
137.51437	1.1
143.03506	4.5
143.04584	1.8
149.04573	20.1
149.27260	1.0
155.08658	1.5
159.03008	2.9
160.04030	1.5
161.02426	3.1
161.04579	19.1
171.08183	1.4
173.06177	1.4
177.01945	4.1
179.03438	2.4
179.05797	2.0
181.12424	1.1
191.05600	6.5
199.07639	3.4
221.06577	1.1
225.05626	1.9
225.11426	2.0
233.06599	6.3
243.06635	53.0
244.07051	2.5
244.13313	1.0
251.07680	1.4
254.07889	1.1
285.03864	1.2
293.08813	4.1
306.07748	1.4
312.10071	1.6
325.23795	1.7
327.12317	1.4
327.21802	1.8
343.24777	3.6
369.22714	1.1
387.24048	7.0
399.23251	1.1
417.25024	42.0
418.25119	2.7
463.25375	2.2
505.26257	5.8
528.29645	1.3
531.28143	1.2
549.29193	100.0
550.29572	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	549.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
57.03442	3.8
59.01383	45.0
61.98825	1.2
69.03465	1.8
69.55660	2.0
69.56067	1.2
71.01389	57.2
71.11224	0.7
72.99300	1.6
73.02948	18.6
75.00886	1.3
81.03484	1.0
83.01386	7.1
85.02960	20.9
86.00103	0.7
87.00887	2.9
87.04507	1.2
87.92850	0.7
88.98812	1.1
89.02450	29.7
93.03443	1.3
95.01408	3.8
97.02966	3.9
99.00887	10.4
101.02455	33.3
111.00895	1.9
113.02467	17.6
115.04010	1.1
119.03519	4.8
125.02468	4.5
129.01979	1.0
130.34599	0.7
131.03493	7.2
135.04561	0.8
137.02515	1.2
139.04010	0.7
143.03522	3.3
149.04572	9.3
151.00328	2.1
159.02986	2.3
161.02504	1.4
161.04578	16.4
166.02737	4.7
174.63362	0.7
179.05634	1.5
181.05049	7.4
188.78110	0.7
191.05646	3.5
205.03618	0.9
233.06674	2.3
255.19647	0.9
293.08807	2.6
387.10721	1.4
417.16107	7.7
417.24963	32.8
418.25253	2.2
549.29230	100.0
550.29755	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	549.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89084	0.2
59.01391	1.1
69.17580	0.4
69.18001	0.7
71.01381	0.6
73.02969	0.3
73.23891	0.2
78.95913	1.7
79.95747	2.9
83.01409	0.1
85.02943	0.3
87.00912	0.2
89.02460	0.6
96.96024	100.0
96.97009	2.7
98.21880	0.4
101.02435	0.6
102.92274	0.2
113.02463	0.4
133.02974	0.3
135.04565	0.2
147.04555	0.5
147.12456	0.1
161.02486	0.6
163.71719	0.2
179.03473	0.3
210.46893	0.2
227.03539	0.2
247.81462	0.2
285.04187	0.9
286.04306	0.3
377.08920	0.5
438.06360	0.2
471.95944	0.2
531.14465	0.3
537.27655	0.2
549.24945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63209	0.5
59.01376	1.4
61.98835	100.0
66.56551	0.4
69.19251	2.5
70.70480	0.5
89.02473	0.8
109.96941	0.5
124.29216	0.5
131.03514	0.5
135.04608	0.5
170.14490	0.5
179.03531	0.5
206.58376	0.5
221.68364	0.5
255.36269	0.5
361.76807	0.5
374.67050	0.5
419.25931	0.5
452.56403	0.4
482.62225	0.5
550.32092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24364	1.4
61.98835	100.0
63.49275	1.0
69.47678	5.9
84.38554	1.2
98.22565	1.6
111.63615	1.1
155.83778	1.1
186.40335	1.1
245.45963	1.1
252.20670	1.3
299.43405	1.2
345.37939	1.2
539.93658	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	550.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07117	1.0
61.98837	100.0
62.98074	1.1
82.22240	1.1
109.35316	1.1
110.37657	1.1
152.21449	1.2
168.76414	1.0
175.07909	1.1
275.50146	1.2
427.86536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59365	0.9
55.01884	2.3
57.03446	2.8
57.63444	0.9
59.01083	1.5
59.01387	28.0
60.01725	1.6
61.98846	6.6
71.01392	32.1
71.43908	1.0
72.99332	1.7
73.02951	14.4
74.02495	2.3
75.00889	1.9
76.46545	1.1
83.01384	5.6
85.02969	15.8
87.00861	3.0
87.04637	0.9
89.02457	11.1
93.03500	1.9
95.01383	2.0
99.00912	4.9
101.02457	28.3
102.02819	1.9
108.30786	1.0
113.02480	13.6
119.03529	2.3
120.53174	0.9
120.99662	5.8
125.02457	2.7
131.03510	1.7
133.02995	1.1
137.02411	1.6
138.26863	1.0
143.03537	1.9
146.02504	2.1
149.00905	1.1
149.04597	3.0
159.02994	3.7
160.04045	2.0
161.02455	3.0
161.04568	8.3
179.03487	1.3
179.05646	1.5
191.05605	2.0
205.04953	1.3
233.06665	1.5
285.04135	1.5
375.23865	14.3
389.21802	1.6
428.09753	1.9
437.30814	1.2
507.28159	100.0
508.28525	6.3
517.32697	1.2
550.29285	6.5
551.18463	1.1
551.30212	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	550.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	35.1
61.98837	77.5
62.76764	8.2
66.36202	7.0
69.46723	30.4
71.01385	41.4
73.02963	9.4
85.02950	11.0
89.02458	14.8
98.22633	14.6
101.02464	27.9
112.52932	7.8
113.02465	17.4
114.73988	6.9
125.37078	7.2
161.04578	29.9
165.43007	7.4
169.12050	8.2
183.45091	8.3
199.98526	7.5
260.05548	7.3
284.56250	7.4
284.60083	7.8
299.08914	8.5
302.59317	8.2
313.37717	7.4
325.90924	8.8
345.30099	15.4
507.35480	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	550.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75812	3.9
59.01390	26.9
59.40694	3.4
61.98836	38.2
65.82778	4.1
71.01395	24.7
73.02954	7.9
83.01391	4.0
85.02966	12.8
89.02456	12.3
93.29721	3.8
101.02460	21.8
113.02475	13.7
161.04582	16.5
179.03474	4.8
345.30084	7.2
396.30487	4.2
456.45712	4.0
507.35413	100.0
508.36130	3.9
518.65546	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	551.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37237	3.7
57.03466	4.6
58.23478	4.1
59.01385	65.3
69.03479	6.1
71.01388	43.2
73.02953	7.9
83.05033	33.0
85.02937	9.4
87.00910	4.8
89.02448	40.2
93.03455	10.0
98.21897	12.2
101.02466	35.3
109.02975	4.4
111.00925	3.8
111.04546	21.8
113.02468	27.7
119.03529	19.1
123.04520	4.2
125.02460	6.2
131.03520	10.8
137.02457	17.6
145.02914	5.1
147.04520	6.5
149.74792	3.9
155.03467	6.9
161.04610	8.9
167.03568	5.3
174.03191	8.0
179.05687	9.8
181.39214	4.4
191.03497	12.4
204.04335	6.3
233.08318	4.2
245.08151	10.0
252.90195	5.1
275.07678	21.5
293.08786	100.0
317.08752	55.6
337.09399	6.9
347.09796	15.8
371.01730	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	551.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03456	6.3
59.01388	29.8
69.03469	6.7
71.01389	50.2
72.99312	1.0
73.02969	4.9
81.03471	2.5
83.01392	2.7
83.05034	7.6
85.02957	15.2
87.00888	2.2
87.04527	6.4
89.02454	20.0
93.03465	1.6
95.01397	2.3
96.81448	0.7
97.02966	1.7
99.00872	1.3
101.02457	12.8
109.02972	4.9
111.00900	2.2
111.04546	8.0
112.01678	15.5
113.02465	43.0
113.06107	1.2
115.04006	1.5
119.03526	6.0
121.06590	1.4
123.04509	1.9
125.02450	1.8
127.04053	7.7
131.03523	42.1
135.04582	1.1
137.02492	1.8
143.03552	2.2
147.04541	1.4
151.04080	0.7
155.03543	4.9
161.04562	5.1
163.03886	0.8
165.05539	1.6
167.03499	0.8
170.11285	0.8
173.04576	15.6
179.05644	5.8
185.04564	1.6
191.03525	2.7
191.05576	1.6
209.04469	1.3
223.95531	0.7
257.06726	1.5
275.07770	100.0
276.08109	2.7
293.08871	12.7
317.08850	5.9
346.52826	0.8
347.09863	1.6
407.87280	0.9
414.38623	0.9
551.16205	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.8
57.03453	0.9
57.12660	0.5
58.00601	1.2
59.01384	83.6
69.03458	2.7
71.01386	44.2
72.99330	0.6
73.02953	0.7
74.43105	0.5
76.79156	0.6
83.01385	1.6
85.02953	6.7
87.00880	2.1
89.02453	60.2
90.02825	0.7
91.05531	3.1
95.01400	3.5
101.02448	19.6
102.04755	1.1
103.05553	7.3
109.02970	1.4
113.02457	19.1
119.03525	21.7
119.05029	19.4
119.05905	0.7
121.06601	2.1
123.03699	0.5
123.04539	2.5
131.03548	2.8
137.06107	2.1
143.03534	5.7
146.03751	1.6
147.04536	19.8
148.04903	0.6
149.04553	1.9
161.02434	0.8
161.04572	6.9
163.04103	0.8
165.05582	1.1
178.94495	0.5
179.05627	28.6
191.03522	100.0
192.03844	1.7
281.92813	0.6
359.09625	0.7
371.09851	4.9
456.57022	0.5
551.16376	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	551.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.4
59.01388	75.1
61.98827	3.5
64.56784	3.6
65.70257	3.1
66.44406	3.3
69.03474	9.1
69.75750	3.2
71.01385	70.2
73.02959	13.9
83.01370	5.2
83.05025	20.9
85.02979	24.7
87.00900	7.8
87.04536	8.3
89.02451	40.8
93.03490	5.7
95.01400	6.5
96.95966	3.6
98.21874	7.4
99.00885	3.6
101.02449	47.7
109.02964	4.9
111.00888	4.7
111.04520	18.7
112.01694	16.9
113.02460	60.8
113.68774	3.8
113.75669	3.7
119.03551	16.1
121.02981	5.0
121.57243	3.5
123.04534	4.9
125.02492	5.2
126.35329	3.9
126.36329	3.0
127.04028	14.4
128.03578	3.9
131.03513	49.8
131.40714	3.1
137.02440	10.2
155.03523	11.6
161.04596	8.2
165.05566	7.7
167.93170	3.2
170.57104	3.6
173.04567	19.0
179.03618	3.1
179.05614	9.0
193.05081	10.2
195.06660	5.0
209.49658	3.0
268.80069	3.4
275.07742	100.0
293.08823	53.9
317.08798	40.4
347.09818	7.1
351.22989	4.2
377.10715	4.1
530.94513	3.5
551.16028	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03442	4.7
58.00578	2.3
59.01384	55.8
61.98827	2.6
69.03466	14.9
69.86479	2.4
69.86878	3.1
71.01387	50.9
72.99312	1.4
73.02945	5.5
81.03461	4.9
83.01387	2.0
83.05037	19.4
85.02955	15.4
87.00888	6.1
87.04524	3.7
88.98804	6.7
89.02457	33.9
93.03452	3.7
95.01388	2.4
97.02942	3.7
98.22668	2.1
99.00886	2.3
101.02456	25.4
109.02950	3.6
111.00894	5.5
111.04538	19.3
112.01684	36.8
113.02461	80.2
115.00371	1.3
115.04034	1.6
119.03513	13.5
123.04520	4.2
125.02468	2.7
127.04032	6.3
131.03517	33.1
137.02449	3.3
139.04027	2.5
143.03563	3.0
150.13257	1.5
154.09271	1.3
155.03545	10.4
161.04529	8.5
167.03499	2.3
173.04584	8.2
179.01302	1.3
179.05583	8.0
185.04555	1.9
257.06625	3.3
271.33801	1.4
275.07761	100.0
276.08026	3.2
279.07010	1.3
293.08813	40.4
293.11896	2.9
317.08762	23.0
347.09933	5.7
377.11026	3.3
389.11298	1.8
395.11810	2.1
551.16235	81.2
552.16632	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	551.1771
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
50.77108	1.5
59.01386	16.0
61.98825	5.8
69.15987	9.7
71.01387	12.4
73.02963	3.6
74.02446	2.1
85.02937	2.4
86.03862	1.5
87.00858	2.7
89.02448	4.7
93.03464	2.4
100.15199	1.6
101.02437	12.2
113.02443	7.1
119.03568	2.6
119.05070	1.6
121.02970	14.8
122.03757	9.5
123.04573	2.2
124.00021	1.4
128.33925	1.6
130.91196	1.8
132.02184	3.0
133.02988	7.8
134.02708	3.4
134.03749	59.6
134.06105	5.6
135.04538	2.5
137.02441	3.7
138.70084	1.7
143.03487	1.7
147.04507	10.7
148.04144	1.8
148.05302	5.8
149.02464	21.6
149.06053	12.2
150.03242	74.2
151.03996	6.0
160.01671	11.3
164.04826	7.1
165.05586	85.6
175.04002	19.2
176.04810	19.4
177.01935	5.6
178.02737	26.2
180.04288	5.7
181.05054	2.9
191.05652	3.5
191.07158	20.4
193.05075	100.0
194.05351	1.7
195.06639	60.0
217.05104	2.5
220.03822	2.9
223.06006	2.7
235.06116	45.8
239.07191	2.5
245.04776	1.7
250.06358	1.7
265.07144	7.5
267.06586	1.8
281.07877	1.6
282.08997	7.4
285.04004	2.0
285.58759	1.8
295.08206	5.6
297.07565	1.8
327.12457	2.1
341.10370	40.0
341.14465	2.5
355.11789	2.1
371.11746	2.4
383.11404	20.1
389.07657	3.4
389.12466	48.6
412.58521	1.6
413.12506	2.1
431.13507	19.1
491.15582	2.0
533.17804	1.8
551.18445	17.5
551.26733	3.9
552.19214	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46213	1.3
54.06674	1.5
59.01374	3.7
61.60587	1.2
68.83051	1.4
69.29623	6.0
71.01379	3.7
75.95657	1.3
85.02985	2.0
89.02406	1.4
93.03481	3.8
98.22583	2.9
100.34520	1.4
101.02429	2.4
108.87946	1.3
111.38152	1.3
112.45370	1.9
113.02436	4.9
121.02956	18.8
122.03761	9.9
132.02156	3.5
133.02888	2.0
134.02725	2.3
134.03749	45.7
137.02466	3.3
147.04541	2.2
149.02437	19.0
149.06105	11.7
150.03244	60.2
160.01663	15.0
164.04852	3.3
165.01917	2.5
165.05583	69.1
175.03989	16.7
176.04749	4.0
178.02708	23.1
180.04312	6.9
191.07220	4.1
193.05077	100.0
194.05391	3.2
195.06645	46.7
196.06970	1.9
235.05992	9.6
239.07253	2.8
250.06358	3.3
251.07228	2.1
253.08774	1.9
254.09570	1.9
265.06931	2.0
267.06589	3.8
282.08908	10.1
341.10300	50.5
342.10690	3.1
355.10657	2.2
383.11499	3.4
389.12402	27.4
431.13049	2.1
447.97092	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	551.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	36.8
69.35898	7.9
71.01382	24.2
72.37698	1.5
73.02954	9.9
85.02957	5.2
89.02452	51.4
93.03482	2.4
95.04982	1.7
98.22651	3.2
99.00903	11.9
101.02455	22.5
107.05012	1.6
109.02940	1.5
111.00926	1.8
111.80246	1.5
113.02490	7.8
113.31656	1.7
119.03496	3.8
119.05051	2.1
121.02979	10.6
122.03745	6.2
123.04543	1.8
125.02455	2.4
131.03510	6.8
133.02988	9.1
134.03751	27.3
135.04509	6.1
137.02428	2.9
138.03192	2.5
143.03537	1.5
147.04544	7.4
148.05292	4.1
149.02545	12.9
149.04559	36.4
149.06044	8.8
150.03242	44.2
151.03978	3.4
153.05568	5.4
160.01651	6.6
161.02499	11.6
161.04588	3.0
163.04021	5.5
164.04767	3.8
165.05591	46.0
174.03206	2.8
175.04022	27.9
175.59430	1.5
176.04800	18.3
177.01961	5.0
177.05550	4.1
178.02701	14.8
179.03424	2.6
179.05634	1.9
180.04266	6.3
188.04774	3.5
189.05653	8.5
190.06372	20.7
191.03824	1.2
191.05595	7.2
191.07156	28.3
193.05083	59.8
194.05768	2.7
195.06633	37.6
203.07091	3.4
205.08693	13.5
207.06580	4.2
208.07425	26.6
220.03711	2.3
221.06590	3.4
222.08994	7.1
235.06125	34.8
250.06293	1.9
251.07715	4.6
265.07230	4.5
267.06522	1.6
282.09006	5.5
295.08353	7.1
311.09805	2.6
327.12222	1.4
341.10330	28.6
356.29477	1.6
359.15033	100.0
360.15326	4.5
381.21423	1.6
383.11493	12.3
389.12320	23.6
389.16147	1.6
431.13419	17.5
505.26569	33.0
506.26251	1.7
551.17627	7.9
551.30615	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.7
62.34848	1.7
63.22643	1.7
70.57088	2.8
70.57420	2.7
71.01404	4.4
85.02954	2.0
93.03462	2.1
101.02449	9.2
104.57944	1.8
105.01921	3.9
111.00889	2.7
112.07829	1.6
113.02488	2.8
121.03004	11.2
122.03752	8.0
133.02979	7.0
134.03754	62.5
135.04536	7.6
136.01613	1.8
137.02475	3.2
147.04547	7.0
148.05338	3.9
149.02452	17.6
149.06114	17.8
150.03246	65.6
151.04065	10.7
160.01698	9.5
161.02394	2.4
164.04813	6.5
165.05577	77.1
166.05901	1.8
171.12950	1.9
175.04034	13.1
176.04796	13.3
177.01942	3.0
178.02742	23.6
180.04286	4.6
181.05115	8.7
191.07195	16.1
192.04253	2.5
193.05078	100.0
194.05385	2.1
195.06635	43.0
199.07567	1.8
220.03737	3.4
221.06248	2.0
235.06113	32.4
236.06516	2.7
246.05626	2.1
265.07224	5.6
282.08926	6.4
295.08212	7.7
341.10312	32.3
355.11850	2.3
383.11365	14.2
389.12366	51.0
425.20169	2.2
431.13544	15.4
516.15717	2.4
551.15942	2.3
551.63428	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	551.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.2
59.01384	5.1
61.98835	4.7
67.33560	0.6
69.46178	2.4
71.01379	2.6
73.02967	1.3
85.02949	1.5
89.02442	1.4
90.45730	0.5
99.04524	1.0
101.02468	2.5
104.02662	0.6
113.02489	0.8
132.02174	1.4
134.03761	0.5
135.04518	0.8
137.02550	0.6
152.01140	1.3
157.06595	1.2
161.02528	0.6
163.06081	0.6
172.08983	1.4
178.89725	0.6
179.03654	0.7
186.06831	1.6
198.06252	0.5
201.05585	0.6
215.03610	1.0
229.05238	0.6
230.05849	17.5
244.07413	2.4
245.08208	100.0
246.08493	3.1
407.13470	29.4
408.13794	0.8
449.14539	13.6
489.17587	2.4
551.17786	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	551.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	19.5
59.01385	11.8
59.77284	0.9
61.98834	10.8
71.01385	6.3
73.02956	2.1
75.00904	1.0
81.03448	2.6
82.95414	3.6
85.02930	2.0
89.02453	3.5
93.03466	1.4
96.95979	1.2
99.04524	21.3
101.02450	7.0
104.02686	10.6
113.02473	2.3
125.02474	15.2
133.02963	2.1
134.03734	1.0
135.04605	2.0
148.01685	16.9
161.02470	1.2
161.04608	1.3
176.01161	100.0
177.01930	24.7
179.03513	1.9
215.09784	1.0
218.38222	1.1
245.08208	25.1
282.02258	1.0
321.05945	1.0
353.23151	1.7
516.75659	1.0
551.31055	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	551.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06905	2.3
57.02079	2.1
59.01368	7.5
61.98825	9.9
68.99816	17.2
69.38467	5.1
69.38877	6.8
71.01371	3.5
74.33789	1.9
75.46011	2.1
107.01417	3.2
108.01479	3.5
108.02192	58.4
109.02953	8.3
119.05006	2.7
121.02939	9.1
122.03772	13.2
123.00880	8.4
123.04549	35.8
132.02179	8.7
133.03001	3.1
135.04457	2.8
136.01665	3.3
137.02451	2.3
138.03238	5.4
147.04517	5.9
148.01633	2.4
149.02466	12.0
150.03246	66.3
151.03850	2.1
153.05573	3.5
161.02431	8.3
162.03238	21.1
163.03996	9.3
164.01152	2.7
164.04770	4.7
165.05588	33.6
170.11572	2.2
175.04034	11.0
177.01927	2.6
177.05580	23.7
178.02745	66.4
179.03432	6.7
190.06416	4.4
193.05080	100.0
194.05737	9.7
195.06657	15.6
218.05788	2.6
222.05266	4.5
251.07162	2.8
265.08667	4.5
267.06671	4.8
269.04498	6.1
269.08145	4.0
279.06546	7.1
281.08136	6.4
291.06613	3.9
292.07428	3.1
293.08313	10.2
294.08838	5.3
295.06039	7.8
296.06842	4.9
297.07959	10.8
297.10825	2.4
307.06412	4.1
307.09537	3.7
309.07770	23.5
309.11142	4.7
310.08414	6.3
311.09360	3.6
312.10016	11.4
322.08395	3.6
323.09177	2.4
324.10129	17.4
325.10706	8.4
326.11609	3.5
327.12350	26.7
337.10748	13.7
339.12350	18.4
379.11752	15.2
429.13412	3.1
458.13733	3.9
473.15958	17.9
485.16040	4.4
488.72076	2.2
503.17444	29.7
504.17172	4.1
521.18384	12.3
551.12451	4.4
551.19220	99.8
552.19598	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	551.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	23.7
61.98838	33.6
70.61749	7.1
71.01367	6.1
78.95920	7.1
80.48006	4.2
86.09454	5.0
91.01912	10.5
103.01523	5.5
107.05050	19.3
108.02191	20.4
109.02973	7.4
113.02410	6.9
121.25414	4.7
124.01692	8.0
132.34383	4.9
134.03757	14.2
135.00925	6.5
135.04523	58.1
137.02472	7.2
139.04048	11.7
146.03751	41.5
150.03198	7.6
152.01144	12.1
158.41687	4.8
161.02457	11.8
161.06055	12.3
164.04759	25.9
165.05626	29.2
175.03990	17.3
177.05560	9.6
179.07167	72.8
201.82164	4.8
221.08109	5.9
243.06641	100.0
249.05470	4.9
267.06635	13.7
277.05002	7.5
279.06641	7.2
283.06192	10.7
295.06155	20.1
297.07483	5.5
298.08508	7.5
311.05606	12.6
311.09195	8.6
313.10681	9.2
321.07697	11.2
323.09277	7.0
325.07205	16.9
325.10626	10.6
326.08008	23.6
327.08487	7.1
337.07153	9.4
339.08688	20.3
340.09555	19.5
341.10336	77.5
342.10913	11.8
343.11893	12.2
346.57614	5.1
353.10303	42.5
354.11023	13.2
355.11816	28.2
356.08923	6.4
367.11749	15.1
371.11469	9.0
473.16025	10.7
491.17712	8.2
503.17282	16.4
521.18207	12.3
533.18103	10.6
551.18640	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	551.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67947	1.6
58.00600	2.0
59.01384	100.0
61.98840	19.9
69.03448	6.4
71.01382	40.4
71.26412	2.0
73.02947	20.7
81.03466	4.5
83.01393	4.3
85.02951	14.3
85.25793	1.4
87.00879	2.5
89.02448	23.9
90.08556	1.3
97.02956	7.6
101.02438	32.5
102.84184	1.4
103.04015	28.6
109.02934	1.7
111.04522	2.3
112.01708	3.0
113.02456	9.3
119.03516	14.0
121.02955	1.7
122.03752	4.0
125.02451	32.8
127.04034	3.7
131.03523	3.8
143.03508	4.8
145.05077	6.9
150.03256	5.5
153.01953	17.5
153.05580	5.9
163.06142	27.2
163.07411	3.0
167.03481	1.7
168.04301	24.1
178.02773	2.2
183.06628	56.3
183.08273	2.7
193.05060	1.6
247.08240	7.8
275.07761	9.3
276.08295	1.5
293.08731	3.3
299.03601	1.5
307.10416	25.2
317.08926	2.2
317.85532	1.8
346.10760	1.4
551.16241	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	551.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01384	6.1
59.65424	0.5
61.98827	1.7
71.01390	4.7
71.45103	0.7
73.02945	2.2
75.14520	0.5
83.01425	0.6
85.02972	2.2
87.00883	2.7
88.70279	0.7
89.02452	2.2
91.99174	0.5
93.03468	0.8
97.03032	0.5
98.94478	0.6
99.00874	0.7
101.02470	3.0
102.26861	0.6
107.10423	0.6
113.02473	3.6
119.03543	1.2
119.05048	0.9
121.02974	4.2
122.03748	1.2
123.04528	0.6
125.02438	0.6
133.03023	0.8
134.03740	3.1
135.04532	1.5
136.05318	0.6
137.02458	2.1
138.03197	0.8
141.32747	0.5
145.02994	1.6
147.04544	1.9
149.02484	1.3
150.03265	3.4
151.04005	0.7
152.04810	0.7
153.01884	0.5
153.05576	0.7
153.28627	0.6
161.02463	0.9
161.04570	2.4
161.05963	0.8
162.03142	0.9
163.04004	4.9
165.01939	0.7
165.05579	4.1
173.02394	0.6
173.06102	0.7
174.03282	2.8
175.04031	12.9
176.04761	3.5
177.05600	1.8
178.02769	1.3
179.03525	0.7
179.07002	0.6
180.04268	4.7
188.04887	2.8
189.05557	6.9
190.06372	20.4
191.05453	1.0
191.07156	16.6
192.04277	1.2
193.05064	9.7
194.05859	3.1
195.06650	2.1
201.55058	0.5
203.07207	1.7
204.08087	0.6
205.08702	17.3
207.06636	4.6
208.07419	20.3
208.09399	1.2
209.07695	1.0
222.09045	4.6
223.06091	0.8
223.09814	1.5
235.06114	1.6
269.04626	0.5
285.04010	2.1
321.53839	0.6
329.10269	0.8
334.00092	0.6
335.01971	0.9
341.10306	1.8
344.12524	3.4
359.15015	100.0
360.15375	5.9
361.16635	1.7
371.11270	0.6
389.12131	1.3
389.16211	4.0
389.20883	0.9
431.13513	0.9
449.20233	0.7
462.09622	0.6
551.20605	3.1
551.28888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.67480	1.0
61.98833	3.0
67.39471	1.1
69.50696	4.4
71.01387	49.1
72.99297	1.6
73.02948	3.3
83.01409	2.2
85.02972	7.5
87.00884	4.7
89.02451	68.7
90.06188	1.2
95.01417	3.9
96.96035	1.6
101.02449	31.1
105.01931	1.5
108.02207	2.7
109.03018	1.4
113.02456	18.7
119.03510	26.9
121.02973	2.6
123.04555	1.8
125.02444	2.1
131.03508	3.7
133.02921	1.5
134.03835	2.3
135.04538	2.1
137.02469	1.2
143.03532	5.1
150.03247	2.9
151.04037	1.5
152.01160	1.4
159.04530	2.1
160.01611	1.1
161.02451	2.4
161.04559	4.7
162.03223	1.0
165.05568	2.4
173.06119	1.3
175.03947	6.1
176.04770	1.4
177.05634	3.5
178.02728	1.4
179.03438	1.7
179.04178	1.2
179.05646	10.9
185.06180	1.1
187.04025	1.7
189.05745	1.3
190.02718	1.5
190.06392	3.6
191.07100	1.7
193.05066	2.8
195.06599	2.0
202.06427	1.6
205.05095	5.3
205.08809	1.4
214.61861	1.2
219.06689	1.4
220.07408	6.2
227.07240	2.3
230.40927	1.0
235.09750	3.5
283.09866	1.3
311.09235	5.7
326.11594	3.3
341.13910	2.7
356.12903	1.2
359.14951	2.1
371.15030	28.7
389.12350	3.7
551.20923	3.1
551.30499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01078	0.7
59.01384	13.1
61.98839	2.3
69.11430	0.4
69.59686	0.9
69.60059	1.7
71.01390	8.1
73.02956	3.1
80.91676	0.5
83.01375	0.5
85.02949	1.9
87.00884	1.4
89.02452	9.7
93.03475	0.7
96.95937	0.5
99.00885	1.7
101.02454	5.4
103.37773	0.4
109.02991	0.8
111.76715	0.4
113.02463	1.9
119.03497	0.9
121.02982	3.3
125.02464	0.8
131.03526	2.3
133.02959	1.2
134.03709	1.3
135.04521	1.9
136.05295	0.5
137.02444	1.3
138.03236	0.5
145.03009	1.2
147.03468	0.5
147.04535	1.9
149.02505	0.6
149.04562	6.7
150.03250	2.8
151.03999	0.7
153.05565	1.3
160.01573	0.5
161.02466	2.6
161.04578	1.3
163.04036	5.1
164.04855	0.6
165.02025	0.5
165.05565	3.1
173.06148	0.6
174.03230	2.9
175.04010	13.1
176.04810	3.3
177.05592	2.9
178.02759	0.5
179.03506	1.1
180.04312	3.7
188.04779	2.8
189.05571	5.6
190.06378	17.9
191.03618	0.6
191.05609	2.0
191.07143	14.2
192.04321	0.7
193.05080	6.5
194.05872	3.2
195.06636	2.3
203.07164	1.3
205.08684	15.1
207.06648	3.6
208.07430	20.5
222.08978	5.9
223.09750	1.6
235.06079	1.7
251.07715	1.0
285.04227	0.7
285.11075	0.5
319.91061	0.5
327.12366	1.0
329.10400	0.9
341.10309	2.0
344.12674	3.7
359.15024	100.0
360.15308	5.0
367.26303	0.5
371.15088	0.8
389.12271	1.3
389.16763	2.1
431.13199	0.7
471.12366	0.9
481.07590	0.5
505.26593	7.7
529.13660	0.6
551.18079	0.7
551.30402	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	551.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01384	6.1
59.65424	0.5
61.98827	1.7
71.01390	4.7
71.45103	0.7
73.02945	2.2
75.14520	0.5
83.01425	0.6
85.02972	2.2
87.00883	2.7
88.70279	0.7
89.02452	2.2
91.99174	0.5
93.03468	0.8
97.03032	0.5
98.94478	0.6
99.00874	0.7
101.02470	3.0
102.26861	0.6
107.10423	0.6
113.02473	3.6
119.03543	1.2
119.05048	0.9
121.02974	4.2
122.03748	1.2
123.04528	0.6
125.02438	0.6
133.03023	0.8
134.03740	3.1
135.04532	1.5
136.05318	0.6
137.02458	2.1
138.03197	0.8
141.32747	0.5
145.02994	1.6
147.04544	1.9
149.02484	1.3
150.03265	3.4
151.04005	0.7
152.04810	0.7
153.01884	0.5
153.05576	0.7
153.28627	0.6
161.02463	0.9
161.04570	2.4
161.05963	0.8
162.03142	0.9
163.04004	4.9
165.01939	0.7
165.05579	4.1
173.02394	0.6
173.06102	0.7
174.03282	2.8
175.04031	12.9
176.04761	3.5
177.05600	1.8
178.02769	1.3
179.03525	0.7
179.07002	0.6
180.04268	4.7
188.04887	2.8
189.05557	6.9
190.06372	20.4
191.05453	1.0
191.07156	16.6
192.04277	1.2
193.05064	9.7
194.05859	3.1
195.06650	2.1
201.55058	0.5
203.07207	1.7
204.08087	0.6
205.08702	17.3
207.06636	4.6
208.07419	20.3
208.09399	1.2
209.07695	1.0
222.09045	4.6
223.06091	0.8
223.09814	1.5
235.06114	1.6
269.04626	0.5
285.04010	2.1
321.53839	0.6
329.10269	0.8
334.00092	0.6
335.01971	0.9
341.10306	1.8
344.12524	3.4
359.15015	100.0
360.15375	5.9
361.16635	1.7
371.11270	0.6
389.12131	1.3
389.16211	4.0
389.20883	0.9
431.13513	0.9
449.20233	0.7
462.09622	0.6
551.20605	3.1
551.28888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.96234	8.6
64.68288	4.0
70.39462	4.5
71.01389	47.4
71.41775	4.6
72.99294	7.5
73.02930	6.7
78.65723	4.6
79.80874	4.4
85.02959	7.7
88.98844	4.8
89.02454	47.9
96.96014	60.0
98.95598	53.8
98.96284	8.0
99.00900	6.4
101.02432	27.4
109.03036	5.4
113.02444	19.0
117.97331	6.4
118.98064	5.6
119.03506	12.4
121.02946	13.6
122.03764	8.8
125.02422	7.9
133.02942	10.6
134.03749	45.5
135.04489	17.3
135.98366	15.1
136.01624	5.7
137.02545	6.6
147.04486	7.0
149.02483	20.8
149.06058	12.9
149.76546	4.4
150.03232	52.9
151.04012	16.4
160.01685	9.6
161.02432	26.9
165.05577	50.1
175.04057	10.8
176.01140	16.4
176.04768	13.7
177.01929	7.5
178.02666	17.3
179.03465	12.0
179.05548	6.8
181.05098	6.0
189.02010	6.7
191.03566	22.8
191.07159	9.8
193.05060	61.8
195.06636	34.2
206.57407	4.6
235.06129	20.2
242.09502	15.0
251.16478	9.7
255.03404	5.1
263.95120	4.6
269.04477	8.9
270.08994	10.6
285.11490	10.4
295.08340	5.7
298.08456	5.5
300.97284	5.0
311.09018	6.3
326.07928	8.3
341.06390	6.7
341.10291	65.9
356.12619	20.8
371.15021	68.9
372.15155	5.0
389.08438	5.7
389.12384	41.3
431.12860	5.9
431.22794	12.9
469.62256	6.2
491.28876	6.1
515.01166	29.4
533.01837	9.6
551.30798	80.1
552.31445	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	551.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21991	1.4
51.76242	1.5
55.01871	1.9
57.03455	1.9
57.32651	1.6
59.01387	52.6
61.98836	4.8
69.26210	9.9
71.01392	25.5
71.01752	3.1
72.99294	1.7
73.02952	5.9
83.01382	4.9
85.02948	10.2
87.00872	3.9
89.02451	12.5
98.22721	3.3
99.00887	2.7
99.45979	1.6
101.02453	17.3
111.00956	2.0
113.02469	6.7
119.03544	2.7
131.03532	1.9
133.02982	2.7
135.04530	4.0
137.02489	1.6
148.50523	2.0
150.03195	3.2
160.01726	4.4
161.02412	5.9
161.04616	2.0
165.05551	3.2
179.07080	2.2
193.04991	2.2
241.08800	1.8
245.13867	4.5
255.03038	2.9
267.06741	1.9
270.05225	2.4
283.05930	1.6
285.04071	6.1
296.06909	2.8
297.07816	2.6
310.08371	2.2
311.09244	7.5
312.10034	3.0
313.10730	6.2
329.10358	2.3
341.10361	5.6
342.10809	2.3
344.12521	3.9
345.13458	3.7
348.63647	1.7
356.12759	4.2
357.13474	2.7
359.15057	4.6
371.14832	6.5
376.58545	3.4
377.08582	5.3
385.14313	2.6
401.06357	2.0
491.15622	7.0
491.28296	1.9
503.15585	12.7
506.17844	6.7
518.17975	13.1
521.20319	84.0
522.20508	5.4
533.20319	100.0
534.20813	5.1
551.31012	44.2
552.30835	3.4
569.20874	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	551.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09208	1.5
57.03421	1.7
69.08033	3.8
69.08443	8.0
71.01365	5.7
78.95895	1.8
79.04153	2.0
79.15083	1.7
90.86850	1.7
95.01412	2.0
96.99322	14.9
104.02682	2.5
108.02187	1.8
111.00951	1.8
115.08801	1.9
119.01406	3.2
119.05043	2.4
123.00891	13.6
129.01958	26.4
138.03252	1.9
139.04004	2.3
145.02977	5.2
147.00890	11.3
148.01694	27.6
149.02449	1.8
151.04045	4.3
162.03305	1.8
163.00356	1.8
173.02435	2.9
175.00426	10.2
175.04042	7.4
176.01178	23.8
176.04695	2.2
177.01877	3.2
179.03510	31.1
180.29591	1.8
182.78398	1.8
188.04893	1.9
191.03535	39.5
191.07184	4.0
192.07901	2.3
198.03143	3.7
199.04124	2.0
201.01930	5.7
203.03557	10.2
204.04294	2.2
207.02988	53.4
207.04501	2.1
207.10297	4.8
208.03491	2.3
214.02718	4.8
217.04993	1.8
218.05856	5.0
219.03012	5.4
221.04601	3.0
222.03262	2.6
222.05360	34.2
223.03975	4.1
223.05991	2.4
227.03525	3.5
228.00697	5.5
229.01541	2.3
231.02963	6.0
232.03735	6.4
235.03996	4.4
237.01894	1.9
238.02681	2.1
241.01402	2.2
242.02229	7.9
243.03049	11.6
247.02406	4.9
251.03516	15.6
252.04141	2.5
253.01509	2.7
253.04887	2.1
255.02950	3.0
257.04663	3.0
259.10016	1.8
260.03320	22.4
262.04968	9.5
263.03546	2.9
266.02176	2.3
267.02939	5.6
268.00024	5.4
268.03659	1.7
270.01706	55.0
271.02530	13.8
275.05640	67.9
276.05975	3.0
277.21735	2.7
279.03024	38.3
280.03543	3.0
281.04224	1.9
282.01822	4.4
283.02457	3.6
285.04065	100.0
286.04837	10.8
291.03174	2.5
291.12384	6.2
293.04431	3.2
294.01929	2.4
294.05298	6.8
295.02689	8.3
295.05685	2.7
295.99683	17.1
296.02631	3.3
300.06406	51.5
301.07135	22.2
306.01779	1.9
307.02533	22.2
308.03152	3.1
309.04193	2.4
310.01303	3.4
310.04828	6.4
311.02081	31.1
311.05673	5.2
321.03961	3.6
322.01190	3.6
322.04727	19.5
323.01981	18.9
323.05374	2.7
325.03525	11.9
325.07254	3.5
326.04337	41.3
327.05090	3.6
334.01212	2.1
337.03497	3.6
337.07153	11.7
338.04300	8.4
339.05087	7.3
340.05658	2.7
351.01828	9.2
353.06671	26.9
354.07434	3.9
365.02954	3.0
366.03751	10.2
369.09766	13.7
370.14230	2.8
381.06165	76.3
382.06747	6.0
383.04147	3.6
398.06528	2.8
409.12936	2.4
413.08786	85.7
414.09073	6.3
423.14319	2.4
435.10873	19.6
438.16687	3.7
450.13260	20.9
467.13467	10.9
482.15872	59.5
483.16254	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39711	1.2
50.66732	1.3
55.01880	2.6
57.03449	4.7
58.00605	1.6
59.01385	68.5
61.98837	2.5
62.62115	1.3
66.32757	1.4
68.99850	1.8
69.76289	3.8
69.76630	1.7
70.61445	1.4
71.01386	56.3
73.02958	13.8
83.01392	6.2
85.02946	18.1
87.00883	5.0
88.98838	1.4
89.02450	37.1
93.03451	1.8
95.01398	2.8
96.96049	1.9
97.02985	2.5
99.00876	4.1
101.02458	39.8
108.09524	1.4
111.00887	4.7
113.02455	22.6
119.03520	8.2
121.02964	3.0
125.02486	2.6
131.03526	12.5
134.03761	14.1
137.02454	2.8
143.03537	3.6
149.02448	4.4
149.04565	9.8
149.06085	4.0
150.03235	8.2
159.02969	1.5
161.04596	10.0
165.05589	10.3
178.02676	6.7
179.05597	3.6
191.05554	4.5
191.07228	1.7
193.05070	25.5
195.06691	4.9
233.06685	2.5
282.08856	1.6
293.08865	4.0
339.09937	1.4
339.43726	1.5
341.10269	6.3
359.17307	6.3
381.53226	1.5
389.12372	5.4
389.21915	8.6
410.69122	1.4
419.09750	3.0
491.21368	100.0
492.22028	2.4
519.16235	4.4
551.27460	36.5
552.27557	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	551.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09095	11.6
61.98824	18.2
66.33344	11.7
69.07515	64.6
69.07910	24.1
78.95916	40.6
91.08051	12.8
96.96026	100.0
98.21899	26.9
120.76411	11.4
152.99583	19.7
171.25432	11.8
212.25163	12.6
255.12495	13.2
344.59952	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	551.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69392	53.8
61.98859	55.1
64.21671	53.8
94.92545	78.0
96.96021	100.0
111.55254	51.7
112.38288	48.7
126.73427	56.9
131.24567	55.5
150.08603	56.4
152.99542	57.6
298.79251	53.6
304.56561	64.9
416.42505	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98792	1.1
77.28352	0.6
91.07815	0.6
94.92505	1.1
98.21911	1.8
119.78113	0.6
152.18962	0.7
166.73666	0.6
179.99106	0.6
192.35216	0.6
194.78088	0.6
259.13501	1.2
260.03281	0.9
261.90228	0.6
275.05417	1.1
279.65308	0.8
286.06381	0.7
286.38968	0.6
379.30142	1.4
395.29498	4.6
407.33209	2.5
421.30917	0.9
423.32672	9.1
425.34409	3.5
469.33255	100.0
470.33685	7.3
536.20190	1.6
551.33630	36.4
552.34064	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	551.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31443	2.0
56.68921	1.9
59.01387	15.0
71.14179	4.1
78.95892	2.4
84.91155	1.8
84.91682	2.2
94.92512	9.1
98.02405	1.9
101.02444	3.3
102.35834	2.2
113.02454	2.2
152.99611	4.2
164.24460	2.1
234.74414	2.3
253.09377	13.0
255.23311	100.0
256.23575	3.3
279.14539	2.1
328.11191	2.0
445.38174	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	552.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.9
59.01388	41.4
61.98832	13.7
71.01405	14.1
73.02954	7.2
83.01412	2.5
85.02950	4.8
85.44479	1.7
87.00866	4.5
89.02451	7.5
95.01450	2.0
96.10639	1.9
98.01065	1.8
101.02470	9.5
113.02454	3.7
117.03480	2.4
133.02972	26.1
134.03786	4.3
135.04555	18.6
149.06114	3.2
151.00421	3.2
161.02473	75.8
162.02773	4.7
177.05588	4.3
177.94327	2.0
179.03529	17.3
180.03825	2.0
212.04681	2.0
221.04544	3.8
227.03500	7.4
245.13889	2.3
255.03004	23.6
256.03372	2.9
281.06775	5.4
283.02530	33.2
284.03137	8.1
285.04050	100.0
286.04370	6.7
296.06796	1.9
376.58447	16.7
377.08777	80.2
377.59097	15.6
469.13531	14.2
471.06232	3.6
471.12320	47.4
471.62354	16.6
473.10858	4.7
522.20776	7.7
534.20703	8.6
551.30963	24.9
552.31287	30.0
553.30731	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	552.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
75.01260	0.8
77.21960	0.8
78.57801	0.8
88.71913	0.8
505.18881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69706	0.2
61.98837	100.0
100.61612	0.2
210.36493	0.2
353.24954	0.2
354.48016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20541	0.2
51.63558	0.2
57.53535	0.2
59.01382	1.0
61.98834	100.0
64.57804	0.2
71.01392	0.8
73.02953	0.5
79.27397	0.2
84.58241	0.2
85.02987	0.3
89.02438	0.3
91.01913	0.7
95.01446	0.2
101.02478	0.6
108.02168	1.2
113.02419	0.3
119.05058	0.4
135.00874	0.5
149.25235	0.2
152.01183	0.9
153.01505	0.3
161.02452	0.3
170.50484	0.2
180.72246	0.2
198.58345	0.2
203.03606	0.3
243.06651	2.5
244.06996	2.9
502.94983	0.2
552.17932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90701	2.5
61.98827	4.7
69.71584	9.4
96.96022	4.2
98.65717	2.7
106.06642	9.5
134.06122	52.8
136.07724	3.2
172.45348	2.4
227.08336	6.3
239.04587	7.4
265.06415	3.2
309.08865	4.3
331.14435	5.5
341.11377	8.2
355.65210	2.6
358.12097	6.4
373.14008	7.9
386.11429	25.7
401.13782	5.2
402.14523	6.4
428.16376	3.8
458.13208	5.1
477.68277	3.5
488.18326	96.2
489.18491	5.7
520.12988	5.3
520.20874	100.0
521.21320	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	552.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58393	7.3
59.01384	21.4
61.98836	69.1
65.12653	6.7
69.61040	15.2
69.61424	17.4
71.01392	18.5
85.02997	13.4
87.04523	100.0
89.02468	8.2
89.94482	6.3
90.50571	6.9
96.95988	9.4
99.35395	6.6
101.02481	13.3
119.05045	13.5
124.58936	7.4
138.86533	6.7
147.77782	6.9
161.02512	8.2
210.77020	6.7
278.20041	7.0
279.93076	9.2
300.99799	7.2
493.73935	7.9
509.26196	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12415	0.9
61.98835	1.6
70.56662	1.6
70.56993	1.3
78.95909	7.2
97.38818	1.1
152.99625	1.4
168.04358	2.4
231.78160	1.0
232.57149	1.2
242.07866	2.5
277.21753	100.0
278.22040	3.9
355.32050	1.2
370.09689	1.0
383.63864	1.2
502.29510	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52982	1.4
59.01380	3.8
59.57536	1.0
61.98842	2.8
69.11719	5.6
78.95911	27.9
99.84966	1.1
152.99606	4.2
157.80087	1.2
168.04318	4.6
181.16032	1.2
224.06989	10.5
242.08061	4.6
253.21765	7.0
277.21753	100.0
278.22110	3.6
307.46887	1.3
318.51880	1.4
389.35269	1.2
478.29254	2.2
502.29440	87.1
503.29968	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	553.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22628	0.5
59.01389	2.8
64.57732	0.5
69.92133	0.6
71.01392	2.5
71.41873	0.5
72.99326	0.6
78.95911	68.2
79.95724	0.8
81.54842	0.5
81.92188	0.5
82.87669	0.5
83.05040	1.5
85.02970	0.7
89.02444	2.8
96.96053	14.3
96.96969	100.0
101.02456	2.7
111.04547	1.6
113.02438	2.0
119.03522	1.7
123.04482	0.5
131.03514	0.6
137.02400	0.6
155.03493	0.8
161.04509	0.7
179.05640	0.9
275.07758	3.4
293.08817	11.3
294.09344	0.9
317.08792	8.2
318.09204	0.9
322.14252	0.5
335.09775	0.6
341.10992	0.7
347.09698	2.6
377.11060	1.0
393.45691	0.5
395.11823	1.5
553.11530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29150	2.2
53.34431	2.8
59.01389	31.9
61.98828	5.1
71.01389	18.6
73.02956	4.7
85.02953	9.2
87.00886	3.1
88.98856	4.5
89.02457	18.8
96.96021	3.0
99.00924	3.8
101.02436	14.9
106.06614	3.5
109.02938	7.3
113.02445	12.9
119.03533	6.1
125.86214	2.4
131.03506	3.6
133.49428	2.7
135.04510	3.9
137.02448	5.0
147.04562	3.8
150.03220	5.7
151.04012	7.1
159.04517	4.3
161.02400	4.2
179.03493	39.8
179.05643	12.0
180.04312	3.6
180.07912	4.1
181.05205	2.6
183.21750	2.6
191.05656	3.9
192.07794	3.4
194.05855	48.7
195.06595	5.9
209.08200	100.0
209.83714	2.6
213.68236	2.6
221.06609	3.8
229.01454	5.1
255.02887	3.4
267.06738	4.3
277.05124	3.9
283.02603	3.6
285.04056	50.9
295.06085	3.2
339.05115	15.5
356.10028	3.5
391.17697	28.9
458.11014	2.9
493.22729	4.4
552.30005	2.9
553.19855	2.8
553.32159	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	553.172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37780	1.4
59.01371	2.9
61.98830	5.5
68.99818	18.6
69.15268	3.1
69.15661	7.5
75.00868	2.1
76.46220	1.4
85.83231	1.4
86.83952	1.4
107.05058	1.8
108.02190	33.2
109.02956	4.4
117.03448	1.5
121.02917	1.6
121.93690	1.5
122.03770	4.1
123.00914	9.2
123.04536	29.7
132.02179	5.1
134.03671	2.4
135.04503	2.6
136.01714	1.6
138.03246	13.9
147.04585	2.4
148.01665	1.8
149.02420	5.1
150.03256	16.1
151.04021	3.2
160.01656	1.7
160.05458	1.7
161.02460	9.1
162.03224	27.5
163.04030	10.7
164.04828	4.1
165.05652	3.5
177.05589	34.7
178.02736	39.0
179.03514	3.0
192.04297	12.1
193.05063	100.0
194.05849	10.6
196.03740	3.7
212.04822	1.6
240.04327	4.9
252.04326	2.6
253.05032	2.3
255.02838	1.8
255.06659	3.1
256.03726	3.1
268.03729	2.2
271.05969	2.8
280.03763	6.4
281.04608	5.4
283.06311	1.5
284.03281	3.4
294.05533	2.4
294.88184	1.6
295.06082	23.0
296.03378	3.5
296.06924	4.4
298.05035	2.2
299.05643	17.5
309.07727	2.7
310.08554	10.0
311.05606	16.8
311.09198	3.3
313.07159	5.9
314.07965	13.8
326.07880	6.1
327.08734	2.2
328.09473	10.6
329.06384	1.4
329.10309	30.8
341.10309	37.0
359.11267	1.5
465.99280	1.6
511.89880	1.6
523.16058	2.9
553.17242	35.5
553.25623	1.3
554.17120	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	553.178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54308	9.2
57.03448	9.7
59.01379	83.1
61.98816	13.9
62.28629	9.7
67.70824	8.9
69.03468	18.0
71.01388	62.8
71.05010	22.7
73.02946	10.2
82.53012	9.9
83.01400	10.3
83.05042	18.3
85.02959	29.2
87.00878	11.7
87.23913	8.3
89.02450	47.9
93.03465	11.5
95.05049	12.8
96.96027	40.8
97.02911	10.3
101.02469	45.3
111.04552	12.7
113.02472	52.2
115.00356	15.3
115.04034	95.3
115.09637	9.3
119.03542	15.1
123.04572	13.1
131.03508	20.9
135.04565	16.0
137.02429	21.5
139.04015	18.3
140.71008	10.2
144.38271	9.4
155.03452	9.5
179.03535	9.6
179.05595	11.3
179.09454	9.1
179.68777	8.8
191.05606	23.0
198.45393	9.7
199.48782	10.0
275.07990	22.5
277.12399	18.8
293.08777	46.2
323.97098	10.8
391.12573	100.0
415.12613	56.9
553.18097	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	553.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15559	2.1
54.49596	2.6
56.90232	2.4
59.01389	24.6
61.98833	7.1
62.62531	2.0
70.78811	3.4
71.01392	16.2
73.02951	8.0
83.01391	4.7
83.02356	2.1
85.02970	5.9
89.02460	10.8
94.05639	2.5
101.02446	17.7
113.02456	5.3
119.03551	3.5
119.05063	2.8
121.02966	14.8
122.03764	10.6
123.04578	8.4
134.03778	4.1
135.04517	5.0
136.05309	13.6
137.02454	2.5
146.08246	3.6
149.02473	27.8
149.04552	2.4
149.06046	5.5
150.03242	74.2
151.04034	12.5
161.02438	3.3
161.04599	2.5
162.03204	2.8
163.04108	4.6
164.04836	8.3
165.01945	5.7
165.05580	59.8
166.06221	3.5
172.60381	2.2
179.03510	3.7
180.04366	2.8
181.05077	17.7
181.08711	5.3
191.05641	2.9
193.05016	4.1
195.06633	51.1
195.08295	2.5
219.06683	4.0
232.13991	2.7
264.07834	2.4
275.10855	4.2
277.12271	6.5
283.09668	3.9
285.04031	5.9
311.09277	9.7
343.11710	62.0
355.11801	2.9
366.47873	2.8
367.11771	9.9
385.12973	3.9
391.14005	100.0
415.13962	5.5
451.21887	3.7
553.21155	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	553.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	4.1
59.01386	88.9
61.53965	4.9
61.98825	12.6
70.50255	7.2
71.01396	58.8
73.02934	24.7
85.02941	20.7
87.00858	6.2
88.98823	10.5
89.02457	74.3
90.02745	4.7
93.03468	4.5
96.96025	8.2
97.66640	3.9
99.00893	15.2
100.74301	4.0
101.02458	43.2
103.04082	4.3
108.02199	8.2
109.02973	100.0
111.00902	5.2
113.02451	16.6
119.03502	12.4
124.07693	5.2
125.02477	9.0
131.03539	11.5
133.02972	8.1
135.04488	9.5
149.04570	57.2
151.16589	4.3
155.10843	5.5
156.53412	3.9
161.02444	22.1
161.04575	7.6
161.62236	4.7
175.12776	3.9
179.03479	7.1
181.12299	5.6
185.06076	35.2
185.11751	9.9
187.03880	4.2
191.05638	21.4
221.11765	4.9
229.05081	72.5
243.11404	6.4
255.02844	6.7
259.19119	12.3
265.59827	4.0
269.83023	4.9
271.02905	4.0
283.02408	8.7
285.04068	28.8
285.12430	14.0
293.08878	9.7
359.14642	4.9
361.15659	5.1
377.08771	8.7
391.22964	7.3
391.27414	10.2
421.24384	63.1
465.27615	4.7
471.62296	10.3
493.23218	6.2
499.22018	7.6
506.27173	10.6
507.27509	10.4
517.22949	30.2
553.20520	71.6
553.29572	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55737	2.9
59.01124	4.2
59.01386	61.0
60.10308	3.2
61.98837	9.3
65.03990	3.0
69.52618	8.1
71.01388	46.5
73.02929	11.3
73.22897	3.0
75.00878	5.6
85.02951	13.9
88.98828	7.3
89.02464	52.2
96.96018	4.6
97.02927	4.4
99.00886	15.9
99.12631	3.4
101.02453	29.1
106.34048	3.0
106.53430	3.1
109.02992	5.8
113.02447	12.9
119.03516	5.6
121.02986	4.7
121.06626	4.5
122.03744	3.5
122.04691	3.5
123.04490	3.8
123.08172	11.9
125.02466	10.4
131.03534	12.8
135.04538	4.4
137.02463	3.8
141.01952	3.2
147.04515	3.4
149.02469	14.2
149.04547	28.9
150.03206	17.7
155.10789	4.2
161.02458	8.0
161.04602	4.7
165.05586	13.5
170.56476	3.5
175.02475	3.5
179.03387	5.5
181.05156	4.0
181.12338	10.2
187.11299	5.0
191.05585	8.9
195.06595	8.5
199.09782	6.1
233.06723	6.5
275.07532	3.5
285.04071	33.7
289.84390	3.3
293.08813	20.8
339.05066	6.1
343.11938	18.0
365.43558	3.2
391.13989	17.9
455.32614	3.8
457.20639	5.4
470.81049	3.7
475.21625	5.2
499.22009	20.5
507.27960	3.7
517.22998	48.7
553.20691	100.0
553.31012	11.2
554.20642	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	553.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06427	3.2
59.01113	6.2
59.01383	52.3
61.98840	13.7
69.27774	11.6
69.82176	3.1
71.01392	44.3
72.85716	3.1
73.02952	13.4
75.00876	4.3
77.08402	2.9
83.01436	5.9
83.88076	3.8
85.02992	16.4
87.00893	6.8
88.98827	5.9
89.02463	52.2
96.90746	3.3
96.96017	3.9
98.22640	5.5
99.00896	11.5
101.02457	34.2
109.02980	7.2
113.02460	20.8
119.03539	8.0
121.03001	3.6
125.02539	4.4
131.03511	8.0
133.02962	6.3
135.04544	10.7
149.04559	37.9
150.03258	9.1
155.10814	5.7
161.02455	35.1
161.04556	7.3
164.49130	3.4
179.03575	6.4
182.92416	3.5
191.05687	7.5
195.06596	3.2
221.06499	3.7
229.04897	5.8
251.07735	7.3
285.03992	12.8
293.08722	4.1
301.03522	9.4
337.05539	4.2
373.25909	3.8
375.24051	4.3
493.22729	3.7
505.19043	3.9
507.28040	47.2
507.34900	4.6
517.22925	41.8
553.20526	100.0
553.31818	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	553.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04817	1.0
51.57642	1.2
56.72425	1.0
58.02994	2.4
59.01372	1.2
65.16753	1.0
69.05882	7.6
70.02991	11.4
71.05029	16.8
73.47807	1.0
87.05662	7.2
96.96037	1.4
99.04523	5.5
101.02470	1.2
115.05182	2.2
116.07198	2.9
129.05664	1.9
130.03366	6.3
135.67384	1.0
146.08257	79.9
147.06024	2.8
191.05641	1.9
217.11948	16.2
277.12308	100.0
278.12662	3.5
313.11090	1.4
456.65118	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56569	2.2
59.01385	38.1
61.98844	29.3
70.39494	2.5
70.39845	3.9
71.01393	22.6
73.02960	6.5
85.02992	2.5
89.02457	42.5
99.00910	11.0
101.02460	26.6
106.03183	2.4
112.70355	2.2
113.02489	5.2
121.02989	8.8
122.03764	6.9
123.04523	6.0
125.02506	2.5
131.03511	7.5
133.02959	3.0
134.03821	4.5
135.04521	7.9
136.05296	18.8
149.02513	18.9
149.04556	52.7
150.03246	66.8
151.04048	15.5
161.04579	5.2
164.04837	3.6
165.05592	40.4
180.04330	3.0
181.05092	9.7
191.05608	15.9
195.06642	48.1
211.57449	2.2
221.06657	10.4
251.07704	6.4
283.09753	7.6
293.08713	4.2
296.18481	2.2
311.09631	26.4
343.11887	71.5
344.12103	3.0
367.11777	3.2
391.14005	100.0
392.14490	2.6
493.22971	3.5
553.20575	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25726	1.9
55.49673	2.0
59.01371	7.3
61.61240	2.4
61.97850	1.9
61.98821	8.8
67.54800	1.8
69.22637	3.8
69.23046	11.0
71.01343	2.8
74.22797	1.9
75.00884	3.3
93.03448	5.2
105.01945	81.0
107.05025	6.0
108.02164	3.0
121.02982	15.2
122.03744	18.4
123.04493	2.1
130.63208	2.1
132.02231	3.2
133.02951	4.1
133.24867	2.4
134.03773	3.7
135.04547	28.5
136.01662	19.6
137.02434	6.7
145.02954	5.0
146.03709	3.0
147.04527	3.5
149.02469	32.3
150.03256	58.9
151.04024	28.0
161.02452	4.3
162.03255	3.4
163.04022	5.9
164.04791	9.1
165.05574	71.6
171.23462	2.7
172.05334	3.6
175.03996	7.8
176.04752	2.4
177.05573	5.3
178.02661	2.1
179.03523	3.8
179.07103	4.9
180.04308	4.3
189.05638	4.3
190.06366	13.1
191.07138	2.5
193.05093	2.9
195.06670	27.8
203.52910	2.1
209.08279	4.6
225.05533	4.1
240.07878	3.6
256.07217	2.9
265.07181	2.7
271.09781	6.0
285.07614	2.4
299.09241	7.1
301.10303	2.0
303.12375	8.4
311.01495	2.6
313.10806	7.4
327.12430	5.1
340.80103	2.3
343.11893	6.4
357.13495	23.0
369.13382	4.3
475.17670	8.8
505.18704	100.0
506.19043	7.9
523.19708	3.5
553.20380	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	553.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
61.98837	5.8
68.03638	1.1
71.01376	2.5
78.91888	5.3
82.22293	1.1
93.03457	6.0
101.02435	1.8
108.02151	3.2
109.02932	2.7
121.02956	15.6
122.03730	14.4
123.00838	1.5
123.04523	3.9
124.01684	1.4
125.02530	1.9
132.02162	1.2
133.02940	2.7
134.03706	3.3
135.04535	16.9
136.01685	19.5
137.02457	11.2
140.13870	1.1
145.02956	1.6
146.03723	3.3
147.04520	2.9
149.02448	41.0
149.06020	1.5
150.03236	69.7
151.04016	28.0
159.04474	1.1
160.05322	2.8
161.02507	2.5
161.04634	1.5
161.06064	3.5
162.03226	3.4
163.04016	4.5
164.04774	10.6
165.05586	65.6
172.05280	1.8
173.06088	1.3
175.04027	9.7
175.07588	1.5
176.04753	2.1
177.05556	5.8
178.02765	2.6
179.03517	2.4
179.07123	3.7
180.04283	3.6
189.05536	5.8
190.06396	7.5
191.07051	1.2
192.48010	1.3
193.05096	2.5
195.06628	30.0
205.08650	1.6
208.45436	1.2
221.06194	1.5
225.05511	3.2
240.07916	3.2
241.05063	2.5
252.04332	2.4
255.06532	1.5
256.07388	1.3
267.06580	2.0
269.04630	1.7
271.05319	1.6
271.09735	3.5
284.06992	1.7
299.09235	4.9
301.10779	1.9
303.12363	4.3
311.09335	2.0
325.11121	1.2
327.08936	1.3
327.12424	5.8
329.13940	1.4
339.12625	1.4
343.11746	4.7
355.06985	1.1
357.13440	18.7
369.33267	1.3
388.63965	1.4
391.16272	2.4
439.90582	1.2
460.15323	1.6
475.17618	11.0
487.17648	3.6
490.15897	1.5
505.18723	100.0
506.18961	6.9
510.13443	1.5
523.19836	2.6
553.20721	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	553.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28114	0.8
57.03431	2.7
59.01388	6.5
61.98825	7.0
67.54269	0.7
69.27758	3.5
69.28155	1.6
71.01389	1.7
72.57891	0.8
81.03469	1.0
85.02963	1.0
89.02415	0.9
93.03458	4.8
95.08231	0.8
97.13766	0.7
98.22659	1.6
99.04506	1.9
101.02432	1.9
102.53107	0.8
108.02203	2.0
109.02963	1.6
116.92870	8.7
121.02946	6.7
122.03739	12.8
123.04509	2.3
125.02454	2.2
133.02977	1.7
134.03773	1.1
135.04515	1.9
136.01677	2.2
137.02446	2.0
137.06117	1.3
145.02988	0.9
149.02449	15.1
150.03236	93.0
151.03793	2.6
151.16150	0.8
159.04512	1.0
161.02376	2.2
161.06154	1.1
163.03909	1.0
164.04797	3.8
165.05586	100.0
166.05988	1.5
168.46268	0.8
175.03964	1.1
177.01936	2.2
177.05629	1.2
179.03595	1.9
179.07079	1.3
180.04272	5.4
181.05109	2.7
190.06352	1.2
192.00699	1.1
193.05130	2.6
195.06645	56.3
196.07010	1.7
203.78574	0.9
205.01465	1.0
243.06642	2.9
244.31828	0.8
263.07239	1.0
266.05374	0.8
267.06683	1.4
268.03757	1.3
269.01959	1.1
269.04547	7.0
269.07376	1.1
281.08218	2.3
282.09070	1.4
293.08261	1.1
295.09787	1.0
297.07758	5.0
309.07700	8.2
309.11063	1.6
312.10056	4.8
316.13220	1.8
324.10028	5.1
325.10809	1.4
327.12408	18.2
331.15512	4.5
339.12375	18.2
361.13446	0.9
373.12967	1.5
423.11865	0.9
475.18124	3.9
493.18915	1.6
494.11343	0.8
505.18799	8.2
509.27246	0.9
523.19476	1.6
553.18378	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	553.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74207	0.8
56.05701	1.0
59.01370	4.2
59.61023	0.9
61.00639	0.8
61.98835	5.8
69.77442	3.8
82.12487	0.8
85.04016	1.0
93.03469	5.5
95.05048	1.0
97.48381	1.0
98.21978	1.5
108.02197	1.2
121.02970	9.6
122.03754	15.4
123.04571	2.0
124.82204	1.0
133.02933	1.3
135.04543	2.2
136.01697	2.4
146.03793	1.3
147.04503	1.3
149.02458	50.2
150.03242	79.2
151.03993	1.9
159.04544	2.0
161.02463	1.9
163.04065	0.9
164.04817	13.8
165.05586	81.2
166.05983	1.2
175.04010	3.0
176.04837	1.2
177.05589	4.6
179.07124	2.7
180.04323	5.2
190.06274	1.2
192.07957	1.5
195.06636	42.1
201.51591	1.0
203.05281	0.9
211.07692	1.2
219.06612	1.9
240.04373	1.7
249.09201	1.2
265.08777	1.2
266.09442	1.7
267.06488	2.0
267.10388	2.2
269.08377	1.1
277.08710	3.3
279.06650	1.3
281.08228	2.6
285.04068	3.0
293.08179	1.4
294.08862	2.6
295.06436	1.7
295.09747	4.8
297.07733	5.8
298.08472	1.4
309.07687	7.7
309.11316	4.0
310.08444	1.7
312.10114	4.6
313.10794	3.8
324.10004	4.4
325.10782	3.5
327.12372	14.6
339.12399	15.4
343.12051	1.2
413.13742	2.2
427.11621	2.3
431.14969	5.1
442.14429	2.2
443.14999	1.1
445.17377	1.4
457.16736	6.3
459.14404	1.7
460.15161	2.1
461.16226	1.3
475.17609	19.7
487.17807	5.7
490.16306	1.7
505.18768	100.0
506.19089	6.8
553.20459	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2872
Annotation	Sedumoside A5
Peak:m/z	Relative Intensity
55.01876	5.4
56.56288	0.7
57.03460	4.7
59.01387	39.8
61.98837	5.9
69.05539	5.7
71.01389	52.2
72.99302	1.2
73.02956	23.2
73.64599	0.8
75.00880	1.9
75.61082	0.7
76.11089	0.7
77.28978	0.7
83.01395	10.6
85.02959	31.2
87.00883	3.3
89.02460	15.3
93.03452	1.0
95.01382	4.4
97.02985	1.4
99.00899	9.3
101.02451	47.7
109.02956	1.6
111.00889	2.2
113.02457	24.2
119.03515	2.4
121.02976	3.3
123.04545	1.8
125.02480	1.6
129.02002	2.3
131.03526	2.5
131.17717	0.9
135.04549	1.5
136.01668	1.8
136.05324	2.1
137.02460	3.4
143.03526	2.2
149.02502	1.5
149.04579	10.7
150.03233	5.5
151.04056	3.9
159.03014	5.9
161.04570	17.0
164.04721	1.2
165.05600	4.0
167.03537	1.3
173.02415	0.8
175.03960	0.8
181.05061	1.2
191.05602	9.3
191.07153	1.3
195.06648	4.8
221.06662	2.1
229.18065	1.5
251.07671	2.2
283.06229	0.9
283.09988	0.8
284.10455	0.8
285.04022	1.5
289.89194	0.9
293.08536	1.3
298.08490	2.1
301.10706	1.0
311.09811	4.3
313.10983	4.3
328.09570	1.6
343.11880	13.7
361.12955	6.8
370.09097	0.8
373.12778	1.4
391.09259	1.6
391.14117	16.2
391.23401	46.8
392.14090	1.0
392.23730	1.8
493.22229	1.4
517.23004	2.9
553.20660	12.1
553.28729	100.0
554.20935	1.3
554.28778	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	553.3024
Annotation	PF1070B
Peak:m/z	Relative Intensity
55.59915	1.5
57.03454	2.8
59.01387	61.1
59.73000	1.7
61.98838	16.2
68.99590	2.3
69.03470	18.8
71.01390	34.0
72.99299	1.9
73.02956	12.0
83.01379	2.4
85.02950	8.9
87.00889	18.7
87.04515	3.6
89.02454	11.8
95.01386	2.5
99.00880	2.1
99.65421	1.6
101.02449	18.2
112.98583	3.9
113.02458	47.2
113.03240	2.3
115.04029	2.7
118.30151	1.9
119.03511	2.7
130.02747	2.0
131.03497	17.5
133.05089	8.1
161.04596	2.3
203.05597	2.1
205.19472	2.0
261.22119	1.9
273.22256	6.4
275.07758	17.7
277.21756	67.6
278.22244	1.7
291.23337	43.1
293.08847	38.9
301.21857	3.2
319.22925	10.9
401.84274	1.8
551.58881	1.7
553.30249	100.0
554.30560	5.4
584.23328	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	553.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33562	100.0
85.66515	18.6
98.21825	22.4
102.58015	20.4
152.99585	17.4
167.87204	17.9
171.47130	19.8
255.23169	22.0
256.23688	30.7
481.82941	18.9
484.27451	23.3
484.97665	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	554.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91892	1.7
56.12154	1.8
59.01369	4.0
59.61986	1.6
59.99868	1.8
61.98832	100.0
69.67815	4.6
117.65549	1.9
123.04536	2.0
135.04576	2.9
150.03246	6.0
161.02382	1.9
164.04793	2.3
165.05646	8.4
166.05984	2.8
190.02734	9.0
195.06679	4.0
201.01859	3.2
225.05618	2.0
226.05930	2.2
243.06664	2.9
244.07294	3.8
245.07982	4.0
256.07300	2.4
259.09683	5.0
260.10046	6.7
271.09750	8.1
272.10040	4.3
274.82407	2.1
329.13940	29.1
330.14059	2.7
385.09341	2.0
440.97070	2.2
491.19113	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	554.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30219	0.7
61.98832	46.1
67.92384	0.6
70.91534	1.2
71.48637	0.7
82.12538	0.7
82.25261	0.7
112.46787	0.7
115.26756	0.8
118.04253	1.2
119.81944	0.7
162.03246	1.7
184.61293	0.7
190.02734	9.5
199.07655	2.4
204.99814	0.7
229.05359	1.0
230.05788	1.2
243.06580	5.1
244.07195	1.1
329.13937	100.0
330.14243	5.1
382.12048	1.0
391.15268	0.9
392.15881	3.0
456.79932	0.9
491.19272	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.8
61.98835	0.4
67.71088	0.3
69.03465	0.7
71.01411	2.4
71.39854	0.5
72.00919	10.5
89.02454	4.9
91.05554	0.9
91.58523	0.4
101.02449	2.0
103.05565	0.6
113.02440	2.6
118.06640	0.4
119.03526	2.4
131.03506	1.8
147.04543	37.4
148.04878	0.6
161.04468	0.6
164.07185	100.0
165.07506	2.0
179.05635	4.4
368.38055	0.4
444.29666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02308	2.5
59.01385	6.9
69.13557	17.7
71.01392	4.5
98.21855	4.0
101.02460	2.9
104.57941	2.7
106.06947	2.6
189.74620	2.6
253.09258	20.8
275.20184	100.0
277.21765	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	554.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67498	0.4
71.40390	0.4
78.95909	21.0
103.86681	0.4
141.68521	0.5
145.83774	0.5
152.99629	3.6
168.04321	3.1
224.06943	9.3
224.43857	0.4
242.07951	2.6
261.22156	0.5
263.75610	0.5
279.23309	100.0
280.23700	4.9
311.66315	0.4
385.46881	0.4
434.07843	0.4
504.31000	63.5
505.31210	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	554.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98817	0.4
67.33045	0.4
67.93774	0.4
69.12608	0.8
69.13006	2.7
78.95921	5.4
117.33324	0.4
119.49716	0.4
127.51971	0.4
133.04015	0.4
152.99648	0.9
167.06123	0.5
168.04326	1.3
169.46194	0.4
224.06892	0.8
242.07950	2.1
279.23315	100.0
280.23648	3.8
456.25568	0.4
504.31042	29.9
505.30917	2.4
528.52545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73072	1.3
51.02156	1.6
59.01393	2.4
61.98838	72.5
63.53210	1.4
70.97907	3.2
78.95930	2.5
96.95977	2.4
108.11455	1.4
122.26535	1.5
131.22456	1.5
142.02353	1.4
151.93010	1.5
152.99527	2.1
181.32693	1.5
255.23381	3.4
281.07422	1.7
306.67773	1.6
378.14059	1.5
379.30670	1.8
395.29422	2.2
423.32709	5.4
469.33252	41.0
470.33502	4.3
480.31195	2.2
554.30988	100.0
555.31476	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	554.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
71.01392	1.2
71.10222	0.5
73.02981	0.5
78.98596	1.1
79.95747	1.7
80.96523	10.5
80.96970	0.7
88.44778	0.4
88.66210	0.4
94.98105	2.5
96.96009	0.6
106.98119	0.6
113.49582	0.4
122.97641	0.4
125.02528	0.4
131.03799	5.5
132.04590	1.5
132.71191	0.4
134.97632	0.7
148.99185	1.2
152.98711	0.8
164.98692	1.8
225.00777	3.1
231.34886	0.4
255.23366	0.6
256.23737	0.6
265.88354	0.4
331.23810	0.5
439.53662	0.5
555.28479	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.5
61.98827	0.3
62.81384	0.3
69.20870	2.4
78.95910	19.3
79.60235	0.3
86.79568	0.3
98.22635	0.6
110.67532	0.4
122.98534	0.5
131.79729	0.5
152.99617	2.5
161.56067	0.3
168.04323	2.9
183.15894	0.4
186.24998	0.3
224.06956	8.8
242.07942	2.1
255.23312	100.0
256.23581	2.9
408.68060	0.4
480.31009	58.0
481.31479	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	555.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08990	16.2
58.63471	15.3
59.01384	97.0
59.92207	16.7
61.98833	89.0
63.61542	16.6
63.61879	17.0
65.43756	16.8
66.70374	19.7
69.38631	100.0
71.01392	34.9
73.02955	26.8
77.67008	16.1
78.78367	18.4
84.80322	17.6
85.02959	33.6
89.02448	30.1
101.02451	44.4
113.02473	26.4
135.04616	20.1
137.70927	19.4
158.39844	16.9
160.27257	21.3
209.28146	16.4
218.84451	18.4
228.56467	18.1
357.26590	27.7
363.23938	40.2
463.55276	20.8
478.11084	20.1
495.28168	86.8
555.15771	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76278	12.2
59.01386	85.5
61.98837	100.0
68.79746	13.3
69.69239	29.0
69.69637	30.9
71.01391	54.6
73.02938	19.4
73.95766	14.8
76.77811	17.8
83.01291	13.9
85.02953	30.8
89.02463	30.5
92.02370	15.4
93.03500	18.0
98.21934	25.5
101.02473	36.9
105.50507	15.9
109.02975	26.1
113.02482	35.5
133.03078	16.6
135.04552	21.8
136.01611	37.8
137.02377	21.2
151.04036	57.0
160.04070	21.6
161.02470	21.7
177.01910	74.3
179.03633	27.1
179.05174	13.7
285.04080	60.6
339.05237	18.8
343.11600	17.0
353.35190	20.5
357.13510	64.8
409.25931	15.0
454.43860	15.4
555.21600	35.2
555.32520	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	70.2
61.51204	33.7
61.98830	35.2
69.62918	100.0
69.63309	68.2
71.01385	62.5
74.99046	29.3
89.02431	34.4
102.51140	35.0
106.45403	30.5
121.02995	35.0
127.58981	29.3
165.05528	40.8
168.82770	33.4
198.20876	33.6
202.93980	35.3
261.83386	37.9
300.03101	32.0
357.13358	69.6
372.60049	36.3
389.45187	38.1
399.31012	44.4
426.45969	31.7
445.08575	34.9
459.04236	36.9
555.21399	47.1
555.30157	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.9
61.98821	4.2
64.38232	1.9
71.01396	20.8
71.41197	2.1
73.02957	6.5
85.02953	4.6
85.06587	9.3
89.02457	18.1
92.50171	1.8
97.02992	2.0
99.00851	3.1
101.02451	10.8
113.02439	4.5
115.04027	2.9
119.03516	2.8
125.02431	4.8
127.75412	2.2
138.06871	2.6
149.04607	3.9
153.09222	7.9
161.04523	3.2
165.05589	5.0
211.76941	2.0
225.14932	10.5
233.06671	5.8
243.06616	3.6
261.07675	9.1
293.08823	5.6
339.05234	3.2
387.19992	2.7
519.24536	100.0
520.24841	8.5
555.22046	86.9
555.34399	3.5
556.22498	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	555.2221
Annotation	Terreulactone D
Peak:m/z	Relative Intensity
59.01384	17.6
61.98829	6.6
67.92227	1.7
71.01384	9.7
73.02934	2.5
75.44328	2.0
83.41350	1.8
85.02977	3.3
85.06594	15.5
87.00910	3.3
89.02458	12.7
96.96014	2.6
98.06010	1.9
99.00900	2.4
101.02451	10.8
113.02443	2.5
113.06096	3.8
115.04007	4.5
131.03508	5.1
132.95300	2.1
134.03709	1.9
135.04535	4.3
137.02434	2.8
149.04584	8.0
150.03230	6.8
165.01910	3.0
165.05603	10.4
179.03578	2.2
181.05112	5.6
182.02132	2.6
191.05687	3.6
195.06577	5.1
197.04587	6.1
211.06242	5.7
223.06171	2.0
242.85136	2.0
246.78966	2.2
345.13467	4.3
503.89240	2.1
517.23224	2.7
519.13104	2.8
519.24536	44.7
520.24872	2.3
523.69818	2.2
555.22119	100.0
556.22461	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	555.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53512	0.8
58.25829	0.7
59.01392	9.4
61.69495	0.7
61.98843	7.7
66.24731	0.7
69.91450	2.4
71.01390	3.5
78.91888	2.2
81.09230	0.7
85.02994	0.9
88.93984	0.7
89.02455	2.5
93.03457	2.8
94.98112	1.8
96.96029	1.5
101.02454	1.6
103.64065	0.8
106.99991	0.8
108.02195	0.9
115.99323	0.8
116.92904	0.8
121.02968	6.6
122.03751	13.9
124.01671	1.0
133.02954	1.5
133.19374	0.8
134.03796	1.1
135.04564	3.9
136.01665	1.4
138.99586	0.8
139.39421	0.7
145.06180	1.2
146.03716	0.8
149.02480	18.5
150.03249	87.9
151.03738	0.8
161.02441	1.1
163.04015	2.2
164.04810	3.6
165.05594	100.0
166.06033	2.2
177.05560	0.8
179.03548	1.7
179.07050	1.7
180.04314	6.8
187.07059	0.8
191.05736	0.9
195.06650	66.1
196.06978	1.9
199.09764	1.6
207.06693	1.6
240.04279	1.1
255.10399	0.9
267.06546	1.0
269.08206	3.1
283.09677	1.9
285.04034	1.1
286.04498	0.8
297.11304	1.7
298.08578	1.1
299.09149	3.3
307.39825	0.8
311.09418	4.8
313.10757	2.3
314.11774	4.3
325.10782	2.1
326.11639	3.3
329.13998	16.7
341.13983	10.0
373.12833	1.3
393.20618	1.4
408.48428	0.9
433.16949	0.9
477.19412	5.0
489.19464	1.1
507.20215	9.0
533.67169	0.8
555.21124	1.3
555.29010	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	555.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37489	0.7
55.54639	0.7
56.32708	0.7
59.01385	4.2
61.98831	4.8
63.80154	0.8
71.01392	1.8
75.00845	0.7
75.07580	0.7
85.02959	0.8
87.00858	1.0
89.02453	2.7
93.03479	5.4
95.01408	1.2
95.05019	1.1
96.96033	1.1
98.78458	0.8
101.02462	1.3
105.03460	1.3
108.02197	1.4
121.02962	9.2
122.03760	10.3
123.04482	1.4
133.02985	1.5
135.04526	2.1
147.04578	1.4
149.02464	54.4
150.03252	70.5
151.03578	0.7
163.04071	1.8
164.04823	14.2
165.05592	71.8
166.06253	1.8
170.23477	0.8
176.03497	1.8
177.03915	1.0
177.05611	1.8
179.07111	1.4
180.04335	5.1
181.08730	1.5
195.06651	43.0
196.06949	0.7
197.50722	0.8
200.85109	0.7
206.25717	0.8
207.06636	1.1
220.07240	0.9
241.08755	1.3
253.08614	1.1
267.06702	1.1
267.10382	1.6
269.08344	3.7
269.11829	3.2
281.08380	1.0
283.09769	1.0
283.13150	1.1
285.04181	1.1
296.10608	1.7
297.11353	11.0
298.08774	1.1
298.12106	2.0
299.09262	3.3
300.09857	1.0
310.08603	1.2
311.09222	4.4
311.12897	2.8
312.09833	0.9
313.10843	2.2
314.11710	6.8
315.12329	2.5
325.10742	3.2
326.11630	4.2
329.13968	13.0
341.13953	8.7
371.15305	1.2
431.15115	5.8
433.16559	4.3
461.16238	1.6
462.16916	5.1
463.17496	1.1
477.19208	22.6
478.19406	1.5
489.19193	2.9
492.18173	2.5
507.20288	100.0
508.20679	6.2
550.93884	0.8
555.21924	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	555.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.2
59.01394	7.6
61.98832	5.4
66.29953	0.9
69.54749	2.0
69.55132	2.9
71.01404	1.0
72.99287	1.2
73.02968	1.0
81.55760	1.0
85.02928	1.3
89.02481	1.3
91.36801	0.9
93.03484	2.2
96.96026	2.9
101.02441	1.9
108.04238	0.9
117.33211	0.9
121.02972	5.2
122.03758	9.8
123.00908	1.7
123.04525	3.5
125.02446	2.0
130.04337	1.0
132.02167	1.8
133.02979	9.4
134.03734	5.8
135.04538	3.2
136.01628	1.6
137.02458	2.8
137.06181	1.2
147.04538	12.0
148.05315	2.2
149.02449	23.0
149.06050	4.9
150.03246	59.0
151.03964	3.4
158.03732	2.7
159.04523	6.2
160.05319	12.9
161.02486	2.5
161.06085	6.8
163.04034	1.0
164.04791	7.6
165.05579	48.6
173.06046	4.7
174.06859	1.7
175.04031	2.0
175.07664	16.4
176.04886	5.0
177.01939	1.8
177.05533	5.8
178.02663	1.8
178.06374	6.2
179.03546	2.2
179.07097	1.3
180.04324	1.9
181.05025	1.2
191.07156	1.9
192.07901	5.6
193.05077	4.4
193.08711	1.9
195.06633	22.8
249.07681	3.9
255.06619	1.6
269.04675	1.2
270.09015	1.9
284.10413	1.1
285.11313	2.4
296.10507	1.3
297.11288	2.4
329.13940	30.7
371.15277	1.4
432.15857	2.0
444.15347	1.0
447.18130	4.9
459.18329	2.2
467.18726	1.1
477.19217	100.0
478.19589	7.6
489.19540	1.7
507.20120	5.3
525.21283	13.2
555.21735	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	555.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.7
63.96234	1.4
69.03457	0.6
69.20050	3.0
71.01394	5.8
72.99313	0.5
73.02956	1.8
78.95906	0.7
78.98595	4.0
79.95738	9.0
80.96525	60.0
81.03484	0.5
85.00449	3.8
85.02963	2.7
87.00886	2.2
94.98095	14.4
96.96011	1.6
97.02943	1.6
97.21548	0.5
98.95621	0.7
101.02435	2.9
106.98130	2.6
107.63245	0.5
112.81913	0.5
115.03991	0.7
122.97599	3.7
125.02466	3.9
127.04020	0.9
131.03767	1.7
134.97565	4.2
136.99104	1.2
144.77357	0.5
148.99158	5.9
152.98651	6.4
164.98651	11.7
178.54633	0.5
182.99701	1.2
198.34283	0.5
205.06001	0.5
206.99739	2.0
225.00735	14.5
226.00963	0.5
243.01935	0.9
255.23233	2.6
299.04370	2.5
360.14441	0.7
405.65329	0.6
555.28485	100.0
556.28632	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	555.2848
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
54.96598	0.7
59.01380	0.8
63.96234	0.9
67.29433	0.8
71.01390	6.9
73.02948	2.0
75.00521	0.7
78.98598	4.4
79.95747	8.9
80.96526	64.4
81.03468	1.0
85.00434	2.4
85.02949	3.4
87.00876	2.7
94.98101	15.5
96.96024	1.2
97.02960	1.7
101.02438	2.5
106.98095	2.9
107.53463	0.8
107.67173	0.8
122.97559	3.6
125.02409	2.7
127.04034	0.9
134.97586	4.1
136.99129	1.1
148.99171	5.8
152.98616	4.9
164.98640	11.5
201.70706	0.8
205.38551	0.8
206.99695	2.5
225.00806	14.4
255.23320	1.9
299.04474	2.8
314.26901	0.9
555.28467	100.0
556.28564	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	555.294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.1
59.01373	4.6
61.98833	100.0
69.56605	6.6
71.01369	1.9
73.02966	2.1
73.91785	1.5
89.02384	2.1
93.03472	2.0
94.53822	1.8
101.02468	2.1
119.05016	1.8
123.04510	1.9
125.02431	3.2
125.06086	1.7
135.04541	2.6
137.02448	4.4
143.10789	5.1
149.02470	1.5
150.03253	2.6
161.02470	3.7
165.05562	3.3
166.02654	1.7
176.23012	1.5
181.05093	2.4
190.02837	1.8
249.14986	4.7
269.04565	2.3
313.10648	2.1
313.27539	4.8
329.13910	6.6
330.14279	16.3
357.26465	37.8
492.19507	1.7
555.21857	2.0
555.29968	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	555.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65307	0.5
59.01386	100.0
67.42759	0.6
69.17194	1.9
69.17603	1.6
71.08589	0.7
75.00873	4.7
76.79993	0.5
78.59489	0.7
98.21890	1.2
101.02470	1.0
103.00488	7.7
103.01506	81.6
104.01875	0.7
120.89805	0.7
248.55905	0.7
270.93042	0.7
285.03900	2.1
286.04617	1.1
309.70294	0.8
379.35019	0.6
451.32718	1.3
537.98657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32197	0.9
52.79987	0.9
58.78100	1.0
59.01383	3.9
61.06231	1.1
71.01391	3.3
71.03520	1.3
72.79423	0.8
75.07076	0.9
78.49577	0.9
78.95891	1.4
80.56213	1.0
85.02977	1.3
89.02454	3.6
101.02448	2.2
113.02479	1.4
150.70932	1.1
161.04584	1.1
235.08183	2.3
253.09305	19.2
277.21747	100.0
278.22159	3.2
279.23312	12.6
280.23410	1.7
481.34583	1.2
504.31030	4.4
506.31589	1.2
539.99017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60815	1.2
59.01396	4.4
64.26464	1.2
70.34514	3.5
71.01390	2.4
101.02482	2.5
111.51124	1.1
113.02460	2.1
134.81442	1.2
235.08165	1.9
253.09273	16.7
277.21735	100.0
278.22058	4.7
282.30847	1.4
348.01944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62712	1.1
58.39946	0.9
59.33571	1.1
61.98831	1.9
69.97893	1.2
69.98231	2.7
78.95908	20.6
98.22647	1.3
102.87908	1.2
134.04028	1.0
150.74911	1.2
152.99599	3.2
168.04251	3.1
170.33388	1.0
224.06924	7.3
236.31795	1.1
242.07977	1.7
281.24875	100.0
282.25229	4.4
287.22375	1.3
338.08615	1.1
362.50775	1.1
389.50015	1.1
425.11957	1.2
434.98651	1.3
484.46683	1.0
506.32547	70.8
507.32809	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	557.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00014	1.1
53.02961	1.0
57.52026	1.1
59.01390	8.5
61.98836	3.1
66.51704	1.0
71.01379	4.9
72.71691	1.1
72.99303	1.7
85.02949	1.8
86.37311	1.2
89.02444	4.5
96.96020	1.2
99.04515	1.4
99.84587	1.0
101.02471	2.0
107.08670	1.1
111.04597	1.1
113.02473	3.5
119.03531	1.3
125.02487	1.8
133.02956	2.3
133.10301	1.8
135.04536	1.4
135.08171	2.8
147.03099	1.2
150.03320	1.9
153.01991	1.8
153.09224	63.4
154.09521	1.6
161.02454	5.0
163.66884	1.2
165.05554	1.9
171.10310	1.3
179.07144	2.3
193.05147	1.8
197.08202	100.0
198.08406	1.6
229.03662	1.1
239.09276	1.8
293.09009	1.3
299.11307	1.8
301.03271	1.1
305.13736	1.5
359.13489	57.3
486.13785	3.6
557.23529	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	557.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79427	16.4
59.01365	60.4
66.34354	14.6
69.57111	61.0
78.91922	17.8
89.02454	22.6
93.12074	15.9
105.01942	100.0
135.57652	14.7
136.64973	16.9
147.61224	18.4
147.89906	15.4
150.03230	17.9
165.05611	35.7
205.08775	17.4
272.95901	16.3
289.06909	16.0
290.15036	17.8
306.00607	18.2
307.89890	16.8
312.81030	16.8
317.14111	25.0
318.14792	36.3
329.13901	64.9
333.17035	48.0
386.66879	17.0
557.22491	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	557.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16588	10.6
59.01380	89.5
69.48178	11.2
71.01392	25.8
89.02450	77.6
89.26914	10.6
92.66036	10.3
101.02444	29.4
105.01966	87.6
113.02469	24.9
119.03498	21.8
133.02907	10.8
150.03273	14.2
150.84862	13.4
161.04510	13.2
179.05653	24.1
196.35840	10.3
204.28990	10.7
259.86819	11.2
261.69318	10.2
268.04202	11.1
282.71579	12.5
287.45026	10.7
311.09174	48.2
326.11508	45.1
341.06598	39.1
341.13928	100.0
359.14914	40.4
409.95023	12.7
420.54181	11.6
469.46143	12.4
557.18402	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	557.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69410	1.4
59.01120	2.7
59.01387	30.1
61.98813	4.3
70.38313	1.6
71.01388	1.7
72.16577	1.3
73.49458	1.5
75.00886	6.3
79.21909	1.4
88.98833	2.1
101.02486	1.9
103.00397	14.3
105.01966	4.9
109.02946	2.1
121.03018	2.3
122.03780	1.6
123.04541	7.0
134.03719	1.6
135.04549	4.5
137.02470	7.2
149.02464	3.0
150.03233	20.1
151.04028	25.5
153.88091	1.7
161.02388	2.3
162.03267	1.6
163.04028	11.6
164.04823	4.1
165.01912	3.0
165.05579	4.5
175.04031	3.9
177.02003	3.2
177.05609	1.4
178.02829	2.0
179.03477	5.0
187.15974	1.6
189.05701	1.9
190.02731	2.9
190.06429	5.0
191.03482	4.0
191.07158	12.5
204.07948	2.9
205.05125	3.6
205.08734	5.3
215.07166	4.4
218.05975	2.3
219.06650	6.3
245.08220	2.0
259.09882	2.3
273.11359	1.7
276.13724	10.1
289.14471	27.2
290.15225	28.8
291.16028	15.5
303.12662	2.1
304.13242	12.0
305.13712	2.0
317.13937	42.7
318.14740	79.2
319.15448	30.6
320.16138	1.9
333.17096	100.0
334.17255	2.8
359.15237	4.4
480.19952	17.5
481.20804	6.5
495.22409	18.2
509.21262	2.3
521.20599	4.2
557.22565	58.7
558.23309	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	557.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69410	1.4
59.01120	2.7
59.01387	30.1
61.98813	4.3
70.38313	1.6
71.01388	1.7
72.16577	1.3
73.49458	1.5
75.00886	6.3
79.21909	1.4
88.98833	2.1
101.02486	1.9
103.00397	14.3
105.01966	4.9
109.02946	2.1
121.03018	2.3
122.03780	1.6
123.04541	7.0
134.03719	1.6
135.04549	4.5
137.02470	7.2
149.02464	3.0
150.03233	20.1
151.04028	25.5
153.88091	1.7
161.02388	2.3
162.03267	1.6
163.04028	11.6
164.04823	4.1
165.01912	3.0
165.05579	4.5
175.04031	3.9
177.02003	3.2
177.05609	1.4
178.02829	2.0
179.03477	5.0
187.15974	1.6
189.05701	1.9
190.02731	2.9
190.06429	5.0
191.03482	4.0
191.07158	12.5
204.07948	2.9
205.05125	3.6
205.08734	5.3
215.07166	4.4
218.05975	2.3
219.06650	6.3
245.08220	2.0
259.09882	2.3
273.11359	1.7
276.13724	10.1
289.14471	27.2
290.15225	28.8
291.16028	15.5
303.12662	2.1
304.13242	12.0
305.13712	2.0
317.13937	42.7
318.14740	79.2
319.15448	30.6
320.16138	1.9
333.17096	100.0
334.17255	2.8
359.15237	4.4
480.19952	17.5
481.20804	6.5
495.22409	18.2
509.21262	2.3
521.20599	4.2
557.22565	58.7
558.23309	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	557.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22991	0.8
59.01379	4.2
60.29949	0.8
61.98833	15.3
69.03470	1.2
69.20464	1.8
69.20882	3.8
71.01382	2.3
85.02956	1.0
89.02478	0.9
93.03464	5.2
95.05057	2.0
96.96026	2.5
97.02934	1.6
101.02455	1.8
108.02180	1.5
109.02936	5.4
113.02428	1.1
119.03568	1.2
121.02967	23.2
122.03751	19.2
123.04529	3.6
125.02457	1.3
129.03491	1.7
132.02213	3.7
133.02979	14.7
133.94365	1.0
134.03761	11.3
135.04546	3.4
136.01689	1.8
137.02483	2.2
145.02954	7.7
146.03732	4.0
147.04524	11.9
149.02467	29.8
149.06076	14.4
150.03242	69.1
151.03925	2.2
161.02451	2.4
161.06073	4.2
162.03220	2.8
164.04791	7.7
165.05585	82.4
166.05931	1.9
167.03328	1.1
175.07680	1.4
177.01935	2.4
177.05560	3.1
178.06384	1.1
179.03537	1.5
179.07127	9.3
180.04282	3.1
189.26390	0.9
190.02690	1.2
195.06625	20.1
195.08263	1.4
263.12827	1.0
270.32083	1.0
283.09723	1.2
295.06061	1.0
297.11435	2.1
315.12424	4.8
327.12167	1.2
329.13931	4.0
331.15729	1.1
344.12576	2.0
346.14114	6.4
346.39819	1.1
347.14963	9.7
359.14993	8.9
359.24167	1.3
360.15723	1.2
361.16602	52.1
362.17056	2.1
375.18338	1.2
415.17722	8.9
463.17978	1.2
479.20728	1.3
509.21823	100.0
510.22211	7.4
521.21490	8.7
539.22992	5.2
557.23511	7.7
557.31714	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	557.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
57.03454	54.4
59.01388	83.9
61.98837	13.1
69.03423	1.2
70.04282	1.6
70.04628	2.4
71.01392	37.5
72.99319	1.5
73.02956	25.6
75.22822	1.0
79.05538	1.6
80.26756	1.2
81.03454	1.7
82.81305	1.0
83.01405	6.6
85.02965	9.1
87.00877	1.5
89.02454	28.1
95.01410	3.2
96.96004	2.0
97.06573	1.1
99.04533	14.6
101.02453	40.8
113.02460	14.4
114.59754	1.0
119.03526	12.5
123.04523	3.5
125.02437	3.0
126.20466	1.0
131.03505	2.8
141.05621	1.6
143.03546	2.0
161.04539	3.4
167.06351	2.2
169.06010	1.8
190.96732	1.4
213.05247	1.0
230.65721	1.4
233.15475	1.6
256.35046	1.5
359.28159	7.4
395.20767	1.3
413.21848	100.0
414.22079	4.1
446.59106	1.3
455.22891	60.1
456.23151	2.7
495.26059	15.6
557.25793	10.7
558.15594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04745	6.4
69.03436	10.5
92.63096	6.5
130.25056	7.3
179.10812	23.3
197.11836	97.9
209.11829	51.9
227.12938	7.4
241.10855	17.7
315.14413	14.3
326.41180	8.3
457.05008	6.9
475.11847	9.7
525.27057	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	557.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98834	100.0
78.95912	0.4
85.06995	0.2
89.13561	0.2
111.92550	0.2
152.99644	0.4
190.10085	0.2
255.23286	1.9
256.23682	0.5
281.30219	0.2
287.22263	0.4
290.18146	0.2
480.30963	1.3
483.31873	0.4
557.44714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98834	100.0
63.03197	0.2
63.69471	0.2
67.25164	0.2
69.38654	1.1
69.88610	0.2
70.16328	0.2
71.01412	0.4
73.02968	0.3
89.02454	0.4
89.69372	0.2
93.03474	0.3
96.73270	0.2
99.04543	0.4
101.02480	0.4
113.02354	0.2
179.55499	0.2
537.86810	0.2
554.25238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
61.98836	100.0
67.64442	0.2
69.20289	1.3
71.01406	0.5
73.02967	0.2
74.02504	0.3
85.02951	0.4
89.02485	0.5
92.70791	0.2
98.21901	0.5
101.02480	0.3
106.10580	0.2
113.02428	0.3
161.04623	0.3
190.05168	0.7
211.32570	0.2
222.28966	0.2
244.75816	0.2
248.28160	0.2
558.30859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10638	0.8
61.34375	0.9
78.95909	11.1
80.19722	0.8
84.99163	0.7
124.40577	0.8
129.18584	0.7
140.01180	2.7
152.99617	1.4
172.75716	0.7
196.03796	4.9
214.04878	3.3
232.37270	0.8
279.23315	100.0
280.23770	4.1
387.63077	0.7
397.07510	0.9
476.27823	23.5
476.34601	1.1
477.27869	1.3
486.18127	0.8
558.27155	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68781	1.0
51.11005	1.0
59.01381	1.7
59.15494	1.0
61.98825	1.6
62.39248	1.1
71.31721	1.9
78.95908	33.1
96.72994	1.2
122.00173	1.7
127.83990	1.1
128.48672	1.1
135.37758	1.0
140.01248	5.5
152.99609	3.6
175.81096	1.3
196.03818	14.5
214.04871	2.4
219.34579	1.0
231.66278	1.3
279.23315	100.0
280.23618	4.3
297.72726	1.1
327.15756	1.4
476.27826	64.8
477.28317	3.5
558.26526	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	558.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67530	0.9
57.03447	1.1
57.86166	0.9
59.01369	2.1
61.98833	2.6
70.04142	2.6
71.01363	1.6
73.42164	0.9
74.02462	2.2
78.75161	0.8
82.02988	1.0
82.95416	2.9
84.04560	6.5
98.22009	1.5
102.05619	18.2
109.04081	4.5
113.02533	1.0
125.03499	1.0
127.05153	13.7
128.03557	51.8
135.04507	2.3
145.06204	20.1
146.04622	4.7
167.23193	0.8
179.03438	1.2
181.05142	1.3
221.19106	9.0
224.36183	0.8
224.96947	0.9
238.21477	0.9
239.20180	2.5
265.18094	8.5
283.19162	9.6
293.08847	1.3
299.93524	1.0
301.20187	1.6
321.25693	1.2
385.27100	1.3
411.25027	4.4
412.23053	1.1
429.26089	16.7
540.29370	5.5
558.30341	100.0
559.30719	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	558.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16935	1.7
52.39836	2.0
52.80158	2.0
59.01379	3.6
60.12231	1.8
61.02175	1.9
61.98845	11.4
69.34375	10.0
71.01397	3.8
75.63002	1.7
85.02990	2.1
88.31689	1.7
89.02439	2.3
101.02441	2.4
122.17711	2.1
131.15047	1.8
132.28979	2.0
167.43536	2.0
174.67839	2.4
183.96744	2.3
200.02800	2.1
209.41565	1.9
253.09383	12.5
259.56775	2.3
279.23328	100.0
280.23462	3.4
281.24918	3.5
363.01099	1.9
409.66315	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	558.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01697	3.2
51.03488	2.6
59.01378	5.3
61.98827	13.1
62.88234	3.0
69.45924	15.8
78.95911	10.4
80.42829	3.0
88.85121	3.0
89.02428	3.8
98.21920	6.1
122.64332	3.0
126.64053	3.7
129.92494	2.9
146.90620	3.3
161.78792	3.2
211.46082	3.1
244.85931	3.0
253.09232	15.9
279.23318	100.0
280.23947	3.4
281.24869	44.5
506.32578	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.1
70.06957	2.9
78.95908	20.1
96.35208	1.2
136.58641	1.0
152.99593	3.2
167.01123	1.1
168.04329	3.9
171.15907	1.2
176.13950	1.1
191.66840	1.1
200.24524	1.0
213.19977	1.0
224.06946	9.2
242.08046	1.6
259.39520	1.0
279.23129	1.3
283.26456	100.0
284.26819	4.5
400.73322	1.1
508.34128	71.0
509.34329	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	53.3
60.56239	6.9
60.99309	8.6
61.98834	73.0
69.26238	41.4
71.01387	31.2
74.02489	8.1
82.95412	7.6
85.02969	12.9
87.00872	6.4
88.98810	25.4
89.02463	35.8
94.98062	8.2
96.96001	14.9
98.34897	7.0
99.00882	8.5
101.02474	18.1
113.02427	9.3
119.03552	14.1
120.24110	5.9
156.17226	6.4
161.02444	7.4
161.04587	7.7
165.05580	8.6
167.30150	6.4
173.04555	6.7
175.94415	20.0
190.96715	19.7
191.05627	13.1
218.60506	6.7
280.06512	8.6
361.16629	21.5
456.24695	9.9
523.21899	100.0
559.21436	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77055	0.6
55.01840	0.8
57.03445	0.7
59.01378	5.4
69.38095	3.4
71.01021	1.2
71.01389	18.1
73.02946	5.7
83.01382	1.3
85.02954	6.5
85.06567	0.7
89.02473	3.8
90.59790	0.5
95.01327	0.7
96.96031	1.6
98.21867	1.2
99.00876	2.6
101.02454	12.1
107.05064	1.5
109.02985	0.7
113.02467	10.0
119.03495	0.6
121.02936	0.8
122.03754	2.2
125.02454	1.6
133.02953	1.3
135.04539	73.6
136.05370	6.6
143.03522	2.4
147.04529	1.2
148.05325	1.7
157.06638	0.9
159.03033	4.0
160.05286	1.9
161.04570	39.3
164.04814	8.4
173.09689	3.9
175.07652	4.5
176.01178	3.0
176.08432	1.4
177.09204	1.3
179.05722	0.7
189.09204	1.4
190.10011	100.0
191.03561	3.1
191.10786	58.5
192.11166	1.6
205.03419	0.7
205.08728	1.8
209.04562	0.8
215.10814	0.8
218.09499	0.7
233.11838	2.8
275.12949	0.7
282.04501	0.7
283.04846	0.8
284.08920	3.6
328.24847	0.7
353.16058	41.5
354.16513	1.3
483.03116	0.7
559.12262	1.3
559.20209	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	559.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41507	2.2
59.01381	4.4
61.98814	3.3
69.68064	8.4
74.04988	2.2
78.95912	29.3
83.39397	3.1
128.29964	2.2
152.99637	3.3
168.04364	4.0
224.06836	14.7
242.08034	5.7
251.02196	3.0
277.21759	100.0
288.59949	2.3
295.48068	2.3
305.27960	2.7
474.26440	2.9
502.29388	100.0
503.29657	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	559.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62748	0.6
59.01382	0.7
59.55212	0.6
61.98824	1.5
70.76273	1.0
71.90585	0.6
73.63670	0.6
78.95908	7.6
85.59091	0.6
93.44822	0.7
98.08502	0.6
144.87096	0.6
152.99628	3.6
168.04372	1.2
201.26224	0.6
224.06931	1.2
236.54604	0.7
242.07956	2.7
277.21744	100.0
278.22021	3.7
288.81769	0.6
297.12338	0.7
321.80099	0.7
431.21567	0.7
502.29428	35.5
503.29898	1.4
569.52118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03096	1.2
56.81175	1.0
57.41135	1.1
59.01371	1.5
61.98838	2.0
70.95396	1.6
72.68224	1.2
78.95905	25.5
80.41434	1.1
89.81268	1.4
134.08565	1.2
152.99574	6.4
168.04265	3.5
224.06972	9.4
242.07986	2.5
277.21759	100.0
278.22043	3.7
434.83823	1.4
474.26324	1.7
502.29440	80.7
503.29965	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	559.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	11.1
59.01383	50.7
61.98834	62.5
65.59915	3.5
71.01393	23.5
72.39059	2.9
72.94743	3.3
73.02944	6.7
74.02476	13.0
74.53571	3.0
81.03471	3.5
85.02967	8.2
87.00879	7.9
89.02454	14.5
99.04528	10.7
101.02470	16.7
109.02948	5.9
110.51658	4.2
112.98878	4.0
113.02459	9.7
127.09498	3.2
133.03004	3.5
135.04533	4.2
161.02492	5.1
161.04662	4.9
177.01927	6.8
179.03545	3.7
179.05582	4.5
191.05583	4.5
265.29514	3.4
284.03326	6.3
285.04184	20.1
339.05045	6.5
473.10617	5.8
523.34857	19.4
536.89050	3.4
559.32678	100.0
560.32465	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3263
Annotation	Montanin
Peak:m/z	Relative Intensity
57.03460	5.5
57.66799	2.3
59.01381	28.2
61.98836	54.9
71.01393	11.2
73.02946	6.3
74.02477	13.1
82.95449	2.3
85.02988	4.8
87.00885	3.4
89.02444	9.3
99.04540	7.2
99.17570	1.8
99.49664	1.8
100.43567	2.0
101.02440	9.5
104.03565	2.4
109.02946	3.0
113.02494	4.1
116.92907	7.8
119.03517	4.8
125.02478	3.6
135.04541	3.6
145.03015	2.2
161.02525	2.5
165.04066	1.9
177.01929	3.1
179.03519	3.0
179.05705	3.1
251.14040	2.0
257.04758	2.1
285.04172	8.9
361.29684	2.7
500.35004	2.5
523.34930	50.1
559.32629	100.0
560.32300	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	559.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47164	2.7
57.03458	23.0
59.01384	57.1
61.98840	16.1
69.03489	3.9
71.01389	32.1
73.02966	17.5
74.02494	7.0
75.00887	3.2
83.01408	5.1
85.02987	11.6
87.00879	3.1
88.09658	2.8
89.02448	21.7
93.03482	4.6
97.02998	3.1
99.00909	3.1
99.04539	19.6
101.02452	28.1
109.01445	2.7
109.02966	20.3
113.02490	11.2
116.92914	10.1
119.03565	8.4
121.03001	10.0
123.04593	3.8
125.02487	11.4
128.03610	5.6
133.03036	2.6
135.04547	4.3
143.03564	5.6
143.11893	2.7
145.02992	3.7
146.03795	4.1
147.04559	9.7
149.04680	3.4
149.35622	2.6
151.00410	6.0
152.01236	3.8
152.53958	2.4
153.03339	2.7
157.02950	5.0
159.04518	15.0
161.02489	6.7
161.04628	7.5
163.04074	3.1
175.03984	2.8
179.05663	3.9
185.11942	5.0
193.08636	2.5
195.94157	2.5
203.03609	5.2
214.64862	3.2
215.68892	2.6
227.03574	10.8
229.01505	11.2
238.17957	2.4
255.03000	19.6
261.15030	4.3
267.06799	10.7
269.80499	2.7
277.05231	4.6
279.87488	2.7
283.02591	5.8
284.03290	16.8
285.04065	84.1
286.04422	4.0
294.89032	3.3
295.06207	11.6
337.03864	6.6
339.05139	25.9
443.60162	3.5
444.10712	4.5
473.10895	30.9
523.34625	19.5
534.41724	2.8
559.32745	100.0
560.33374	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	560.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.8
59.01380	9.4
60.17992	0.9
61.98837	10.7
63.02388	0.9
64.47838	0.8
65.00329	1.6
69.40035	0.7
71.01395	6.2
71.05911	1.3
73.02953	4.8
83.01389	1.9
85.02943	2.3
87.00858	1.0
89.02441	4.0
93.03484	1.9
97.44444	0.8
99.04520	3.1
99.27241	0.9
101.02428	4.0
107.01376	2.4
108.02181	1.6
109.02968	23.5
113.02446	1.7
117.03452	1.5
119.03535	1.7
121.02976	1.9
125.02491	1.2
132.04536	1.1
133.02971	1.1
135.04538	1.5
145.02960	5.6
146.03745	3.2
147.04532	9.8
151.00409	4.1
157.02953	3.3
158.03697	3.5
159.04523	15.0
161.02414	3.1
161.04636	2.2
163.04002	1.7
163.78149	0.9
169.06644	1.3
173.02408	2.3
174.03235	1.1
175.03951	2.7
179.05644	1.4
182.62619	1.0
183.04517	2.2
185.02498	1.9
185.06122	1.5
187.04047	1.3
191.03606	1.2
191.05551	1.1
196.05096	1.0
202.02718	2.1
203.03487	4.6
211.04041	2.4
221.06137	2.4
224.37193	1.0
225.05020	0.9
227.03546	15.8
228.03806	1.4
229.01443	15.7
229.05006	1.5
230.01862	1.7
237.05608	1.8
239.03584	1.0
239.07222	1.8
245.04546	3.6
248.04797	1.4
249.05548	3.7
250.06360	2.5
255.03035	25.3
256.03479	3.6
257.04575	2.0
265.05048	2.5
266.05884	1.9
267.06650	13.5
268.07098	1.2
269.08276	4.6
277.05118	6.1
278.05783	2.1
283.02472	9.6
284.03302	22.0
285.04062	100.0
285.12427	3.1
286.04401	8.0
286.35269	0.8
293.04520	1.9
294.05115	1.6
294.28900	0.9
295.06177	15.4
296.06412	2.6
305.06509	0.9
310.59546	0.9
313.07059	1.2
339.05106	26.6
340.05252	3.6
355.08063	1.9
359.11459	0.9
388.58447	1.3
389.08615	1.8
415.10495	1.3
431.26413	1.3
443.60162	2.6
444.10751	6.5
444.60657	2.5
473.10962	39.0
474.11221	7.1
483.11984	1.6
493.13828	1.4
538.14069	2.1
538.64716	1.1
559.32428	1.7
560.30402	3.3
561.20966	1.1
561.29004	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	560.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.0
69.19537	2.6
78.95901	6.2
85.41462	2.3
85.68411	2.3
101.02444	3.1
123.26782	2.6
145.32498	2.5
152.99646	4.5
155.71979	2.5
215.63559	2.6
253.09364	18.2
254.09653	2.9
277.18713	5.3
277.21750	100.0
278.22098	50.9
279.23206	9.8
418.85629	3.0
504.31250	6.7
572.04236	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	560.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46400	1.8
71.49025	2.1
75.02072	2.2
78.95879	1.9
96.35538	2.0
99.50410	2.0
129.64905	2.1
131.61829	2.0
200.05035	2.6
235.08205	2.4
253.09285	11.9
281.24881	100.0
282.25146	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
59.01385	14.9
61.98835	5.2
69.03452	1.1
71.01390	15.2
73.02946	5.7
77.98308	0.9
83.01414	2.2
85.02969	4.7
85.06608	0.9
87.00874	1.4
88.05229	0.9
89.02470	8.0
95.01388	1.2
99.00900	2.3
101.02455	13.7
104.02678	4.9
109.02946	1.7
113.02467	7.2
117.87251	0.9
119.03493	4.3
125.02395	1.7
131.03561	1.8
134.03761	1.7
136.01648	7.5
139.04138	1.2
143.03516	1.8
148.01700	7.7
149.02571	1.0
151.04025	10.8
160.04027	0.9
161.02478	2.1
161.04573	6.3
176.01166	65.2
177.01837	5.0
179.03687	1.2
179.05637	6.1
191.03519	100.0
192.03896	1.8
240.04140	1.2
260.89102	0.9
268.03763	1.2
283.06146	3.0
357.13489	8.2
399.23511	1.2
429.79285	1.0
561.29712	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	561.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83524	1.1
59.01385	40.4
59.71544	1.2
61.98829	5.1
67.01893	3.3
69.03466	3.8
71.01385	16.4
71.45131	1.8
73.02953	5.9
81.03471	1.7
83.01397	2.0
83.04993	1.3
85.02948	13.5
87.00896	7.7
89.02446	9.0
90.03507	1.2
93.03464	21.5
93.04034	2.0
97.02995	2.3
99.00919	2.2
100.15524	1.2
101.01911	1.2
101.02467	10.1
102.05620	2.4
103.04029	6.9
108.18642	1.2
108.66047	1.1
109.02944	6.6
111.04548	3.7
113.02531	1.7
119.03523	3.0
121.02957	2.5
125.02473	7.6
127.04011	2.8
128.03568	5.1
132.02182	2.7
133.02985	12.6
134.03717	2.3
135.04529	9.5
136.01685	4.1
137.02463	1.8
143.03575	1.4
145.03070	1.4
147.04514	1.3
151.03978	7.7
159.04495	2.6
160.01668	7.5
161.02473	15.1
161.04509	1.4
163.04065	6.7
163.06126	4.7
164.39261	1.3
173.04570	8.4
174.03232	1.5
175.04022	1.6
177.01967	5.7
177.05595	2.0
178.06348	3.7
179.03464	3.2
191.05629	100.0
192.06036	1.2
193.08716	4.0
215.05629	2.6
221.19029	1.5
227.03491	2.5
229.01392	3.1
233.31911	1.2
255.03000	4.8
256.03415	1.9
264.87244	1.2
267.06580	2.4
268.07068	1.8
269.46194	1.3
277.05029	1.4
282.49112	1.2
283.02475	2.6
283.19025	2.1
284.03214	4.1
285.04099	15.1
286.04373	5.2
295.06052	2.1
301.20282	2.7
307.10330	3.3
339.04996	3.4
351.07306	8.4
357.13348	5.9
369.09811	21.7
369.14346	1.0
373.12704	1.2
430.24521	11.2
449.77875	1.4
473.10822	4.8
474.11264	3.8
539.72620	1.4
561.16376	2.4
561.25739	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	561.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06223	0.6
52.90621	0.5
59.01379	11.2
60.68283	0.6
62.31068	0.5
69.33195	1.1
69.33577	1.4
71.01383	4.6
72.99306	3.9
75.00877	6.0
77.85294	0.5
83.05035	3.9
85.02962	1.4
87.00877	2.4
89.02446	5.6
91.39920	0.6
91.71786	0.6
93.03474	1.1
95.67113	0.6
98.21919	1.3
101.02450	6.6
105.01942	100.0
111.04516	4.4
113.02491	4.3
119.03506	2.8
123.04538	0.8
131.03529	1.8
137.02448	1.5
146.04846	0.7
155.03548	1.6
161.04565	1.7
179.05630	1.9
195.61189	0.6
228.97711	0.6
275.07773	4.5
293.08813	23.2
296.88174	0.6
317.08807	14.5
317.12323	1.0
335.09842	0.8
347.09879	5.4
377.11057	2.7
395.11963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01385	5.6
61.98834	4.0
69.03471	0.6
71.01385	2.9
71.41602	0.7
73.02949	1.1
85.02951	2.1
89.02456	1.4
93.03441	0.7
99.00910	0.6
99.04532	0.7
101.02438	2.2
108.02161	1.2
109.02982	1.1
112.95216	0.6
113.02465	1.8
116.15485	0.7
121.02963	7.5
122.03786	3.3
124.01780	0.7
125.02464	0.9
133.02953	0.6
134.03751	1.3
135.04562	1.1
136.01674	72.0
137.02435	2.5
146.08252	2.8
150.03192	0.5
151.04022	99.8
152.04311	1.7
157.79279	0.5
159.04489	1.0
160.04117	0.8
160.05342	1.3
161.02483	1.5
161.04576	1.0
162.03247	1.7
163.03984	1.1
164.03583	1.1
175.03967	0.9
175.07628	1.4
177.01901	1.4
177.05574	1.0
179.03520	1.8
179.05588	0.9
182.03740	2.7
183.04536	1.3
184.05269	1.5
193.05099	1.2
193.09326	0.5
195.04536	1.8
196.05371	4.7
197.06100	3.1
198.03252	1.6
199.03952	0.8
203.07182	0.8
211.04005	4.8
212.04810	10.9
213.05519	0.9
223.04019	3.4
224.04808	9.3
230.10477	0.6
239.03601	5.3
239.07120	4.7
240.04291	25.5
241.05028	5.4
252.04268	4.0
253.04991	0.9
255.06627	2.5
257.08310	4.3
267.02991	6.9
268.03802	13.7
269.04361	1.2
273.48138	0.6
277.12305	2.1
283.06143	100.0
284.06406	3.8
300.08786	1.7
301.07169	9.5
310.87799	0.6
311.13007	1.3
342.11148	4.6
357.13464	88.1
357.98853	0.6
358.13730	4.7
360.08936	1.2
394.81482	0.5
430.99902	0.6
431.12540	0.9
501.17688	2.1
561.18988	1.8
561.27405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84080	1.2
56.41984	0.9
57.03456	1.3
59.01392	7.4
60.99294	1.2
61.98826	4.4
64.49574	0.9
65.44067	0.8
67.01881	2.5
69.03461	1.0
71.01392	5.6
71.41946	1.1
73.02940	2.0
81.03427	1.0
83.05062	1.2
85.02967	9.8
87.00908	5.2
89.02439	3.0
93.03469	22.3
99.00868	1.2
101.02431	3.5
102.05606	3.2
108.02192	1.0
109.02975	2.4
111.04494	2.9
113.02463	2.4
121.02985	6.0
122.03750	2.8
127.04073	1.7
128.03542	2.9
132.02193	2.5
133.02979	12.3
134.03720	2.5
135.04559	7.1
136.01680	63.8
137.02406	2.0
137.88644	0.9
149.04460	1.2
151.04019	77.3
160.01694	8.3
160.05255	1.2
161.01280	1.6
161.02475	18.0
162.03291	1.6
173.04562	6.8
175.03972	1.0
177.01994	6.1
178.02734	1.0
179.03465	3.4
191.05630	100.0
192.06047	2.2
207.06245	0.9
208.65114	0.9
215.05594	4.1
223.84135	1.1
252.24640	1.0
255.03123	1.0
283.19290	1.6
285.04034	3.3
288.55685	1.1
289.31757	1.2
301.20105	1.2
311.12619	1.1
342.11081	3.2
351.07230	9.2
357.13495	68.3
358.13773	3.4
369.05487	1.6
369.09827	22.6
430.24457	3.8
467.61633	1.3
561.15759	2.1
561.27484	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	561.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01936	0.4
56.89597	0.4
59.01389	3.9
61.98831	1.8
64.10311	0.4
70.39410	1.0
71.01384	1.4
74.94138	0.4
83.01374	0.5
85.02960	0.7
88.98816	0.5
89.02439	0.8
90.46703	0.4
93.03478	1.1
95.01390	0.5
101.02475	0.5
108.02202	2.0
109.03001	0.7
121.02962	5.6
122.03760	3.3
134.03719	1.2
136.01675	79.1
137.02425	2.0
149.06085	0.7
150.39903	0.4
151.04022	100.0
152.04361	2.1
160.05322	1.6
161.04514	0.5
162.03230	1.4
163.04039	1.9
169.53978	0.5
171.10307	0.6
175.04086	1.0
175.07684	0.9
177.05585	0.7
179.03528	0.6
180.28421	0.5
223.13232	0.7
227.12874	1.2
244.67847	0.5
249.11124	3.6
262.84174	0.5
311.12961	1.0
342.10962	4.6
357.13461	86.2
358.13864	4.2
501.17758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96295	0.9
55.01862	1.4
57.03447	1.8
59.01383	100.0
61.98813	2.4
67.74093	1.1
69.03479	5.1
69.45358	4.3
71.01385	34.0
72.99290	1.9
73.02949	18.2
81.03462	2.3
81.65944	1.1
83.01396	3.5
85.02957	15.5
87.00873	2.3
89.01945	1.9
89.02452	23.4
93.03502	1.4
97.02969	5.7
98.22670	1.6
101.02445	25.1
103.04021	20.2
109.02991	1.2
113.02473	3.3
115.04024	2.4
119.03516	7.6
125.02453	25.0
127.04028	2.3
128.84792	1.1
134.03731	6.2
135.04492	4.2
137.02428	1.2
143.03529	2.7
145.05052	3.6
149.05994	1.6
161.02426	2.6
163.04036	19.7
163.06120	14.1
167.03479	1.0
175.00351	2.0
177.01801	2.4
178.02725	4.5
178.06366	16.1
184.62508	1.1
190.02731	2.9
193.05052	10.8
193.08716	12.3
205.05058	2.6
205.07155	1.6
247.08330	5.4
269.04443	1.5
307.10422	11.7
367.10333	2.4
429.21436	1.5
430.23920	1.7
561.25763	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	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16506	2.0
52.97739	1.9
57.03473	2.3
59.01385	96.6
61.98841	2.5
68.72662	1.8
70.76412	3.0
71.01385	54.9
73.02954	14.7
77.70046	1.8
85.02954	8.0
87.00874	4.6
89.02453	100.0
96.96010	1.8
99.00884	8.5
100.79901	1.9
101.02455	45.4
107.16990	1.9
109.81522	2.5
113.02465	9.6
119.03497	5.2
125.09583	2.1
131.03526	30.6
135.61932	2.0
137.09708	4.0
143.03464	2.4
149.04573	93.9
161.04597	3.6
174.66879	2.5
191.05641	17.7
221.06654	3.4
232.04091	2.1
251.07660	2.5
293.08887	3.3
457.64417	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	561.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14771	1.5
59.01385	87.5
61.98824	4.7
64.44219	1.5
68.09876	1.9
69.24453	9.1
71.01387	52.3
72.99316	1.8
73.02951	12.7
83.01407	2.2
85.02948	8.3
87.00885	3.5
89.02453	100.0
95.65544	1.8
96.70048	1.6
98.21836	3.5
99.00900	7.7
101.02450	45.3
113.02454	9.2
119.03495	4.7
125.02430	1.9
128.98643	1.6
131.03522	26.0
136.01639	1.9
137.09758	2.5
149.04575	88.4
151.04037	1.6
161.04550	2.9
191.05635	17.0
228.04961	1.6
311.09839	3.0
430.56458	1.7
440.45673	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38239	1.0
52.13347	1.2
61.98836	59.5
63.93548	1.0
69.14568	7.4
78.95914	24.5
93.81635	1.1
98.21883	2.2
123.27280	1.1
140.01205	5.0
152.67491	1.1
152.99603	2.6
166.46971	1.0
196.03792	6.8
210.63402	1.1
214.04880	3.0
221.04425	1.2
267.76572	1.1
270.16772	1.4
276.55267	1.2
279.23315	100.0
280.23630	4.9
316.39017	1.3
476.27835	45.8
476.34680	2.2
477.28189	3.1
504.30948	13.3
561.25787	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	561.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38109	1.0
59.01390	1.1
61.98835	60.2
69.28257	5.7
72.27299	1.0
78.95924	6.6
102.57616	0.8
140.01183	2.5
180.45978	0.9
196.03822	2.4
214.04848	2.9
279.23303	100.0
280.23669	5.2
296.98801	1.2
297.81531	0.9
309.86557	1.0
364.21014	2.7
476.27850	20.8
561.25580	15.9
562.25623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98850	8.4
71.01389	55.7
72.99319	2.1
73.02943	5.7
76.51306	1.7
76.95695	1.7
77.57976	1.9
82.95435	9.2
83.01403	3.1
85.02959	10.3
87.00903	3.9
87.69451	1.6
89.02454	66.4
95.01387	4.9
101.02452	35.1
109.02944	2.8
113.02465	27.2
119.03510	32.8
121.03026	1.9
125.02446	2.7
129.58780	1.7
131.03485	5.5
136.01700	9.3
143.03481	5.3
149.04529	2.9
151.04005	11.1
161.04526	6.3
179.03572	2.6
179.05609	11.2
181.48715	1.7
191.05632	2.1
205.19887	1.7
255.02998	2.7
267.15964	2.0
284.03186	3.0
285.03995	11.6
286.04391	2.4
292.53864	1.9
295.68329	1.9
357.13449	8.9
371.94885	1.8
473.11902	1.8
561.29468	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24510	0.8
59.01375	0.8
66.97833	0.7
68.61330	0.8
70.64560	0.9
70.64871	1.2
71.00939	0.7
72.99303	1.6
75.00880	100.0
77.90215	0.8
101.23057	0.9
104.08549	0.9
156.73798	0.9
168.62860	0.8
249.18686	1.0
338.58194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
57.03453	1.9
58.00602	1.2
58.90614	0.6
59.01387	100.0
59.92444	0.6
60.01722	0.5
61.98830	3.7
65.88889	0.5
69.03471	1.9
71.01390	83.7
72.99324	2.5
73.02957	17.6
75.00864	0.8
76.53149	0.6
76.69653	0.5
82.80639	0.5
83.01382	5.1
85.02960	18.2
86.00090	0.6
87.00885	7.1
89.02454	96.7
95.01391	5.3
97.02991	2.3
99.00906	2.4
99.04512	0.7
101.02457	74.6
102.02779	0.8
107.03548	1.1
109.02969	0.8
113.02467	34.8
115.04073	0.7
118.88503	0.5
119.03517	40.6
119.86822	0.6
125.02471	4.5
129.01988	0.7
131.03526	11.3
136.01689	2.2
143.03531	14.4
149.04546	4.5
151.04045	3.5
159.03011	2.0
159.04262	0.5
161.02509	1.0
161.04572	29.6
179.05630	80.4
180.05940	1.3
221.06689	28.6
255.02853	0.7
283.01886	0.5
285.04059	1.3
311.09628	0.6
323.09671	0.9
357.13446	2.5
399.24060	1.6
561.29205	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	561.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98850	8.4
71.01389	55.7
72.99319	2.1
73.02943	5.7
76.51306	1.7
76.95695	1.7
77.57976	1.9
82.95435	9.2
83.01403	3.1
85.02959	10.3
87.00903	3.9
87.69451	1.6
89.02454	66.4
95.01387	4.9
101.02452	35.1
109.02944	2.8
113.02465	27.2
119.03510	32.8
121.03026	1.9
125.02446	2.7
129.58780	1.7
131.03485	5.5
136.01700	9.3
143.03481	5.3
149.04529	2.9
151.04005	11.1
161.04526	6.3
179.03572	2.6
179.05609	11.2
181.48715	1.7
191.05632	2.1
205.19887	1.7
255.02998	2.7
267.15964	2.0
284.03186	3.0
285.03995	11.6
286.04391	2.4
292.53864	1.9
295.68329	1.9
357.13449	8.9
371.94885	1.8
473.11902	1.8
561.29468	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2922
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
55.01900	6.5
56.17356	1.0
57.03462	6.8
59.01386	84.5
61.98837	9.7
69.03461	1.7
69.42521	3.1
69.42926	1.9
71.01389	100.0
72.99300	2.8
73.02952	26.8
75.00856	2.3
83.01392	12.5
83.04982	1.3
85.02962	36.0
87.00885	5.8
89.02454	54.4
95.01382	6.6
97.02941	3.1
99.00892	9.5
101.02457	78.3
111.00892	2.2
113.02459	38.9
116.92886	1.1
119.03513	23.6
121.02982	1.7
125.02460	5.7
131.03545	5.6
135.04509	2.0
136.01672	9.4
143.03523	10.3
149.04530	3.0
150.06329	1.0
151.04027	15.8
159.03014	5.7
161.02492	1.6
161.04573	31.1
165.21532	1.1
179.03432	1.3
179.04007	1.8
179.05630	26.6
191.05634	1.8
209.11716	1.1
221.06682	8.1
250.29579	1.1
263.07788	1.3
284.03195	1.3
304.30618	1.2
323.09863	2.0
325.20142	3.7
357.13446	9.8
399.23904	59.5
400.24179	2.3
561.29150	49.9
562.29492	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	561.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48994	0.3
61.98597	0.4
61.98845	4.1
63.09137	0.4
69.13939	2.9
72.83169	0.5
78.95912	6.2
81.63500	0.4
84.00123	0.4
89.99400	0.4
93.29980	0.4
115.52106	0.4
152.99615	3.0
168.04337	1.4
224.06824	0.9
242.08046	2.8
279.23309	100.0
280.23633	3.5
341.05881	0.5
341.52481	0.4
364.21048	0.6
476.27734	1.8
504.30994	31.5
505.31183	2.3
561.25598	1.2
561.33191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59558	0.7
59.01404	1.6
61.98845	7.6
67.67457	0.8
78.95912	23.7
94.62995	0.7
96.96977	1.0
135.68279	0.8
152.99585	4.8
168.04320	2.3
172.05534	0.8
185.85658	0.8
224.07013	6.6
242.08005	1.7
265.21808	3.5
279.23328	100.0
280.23697	2.9
415.22238	0.9
452.19196	1.1
476.28098	5.6
504.31027	63.8
505.31119	3.5
561.26025	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	562.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	44.2
61.98827	27.4
63.00010	5.0
71.01388	24.8
73.02956	6.6
79.95763	4.5
85.02952	5.9
85.88686	4.4
89.02458	26.8
89.48557	5.5
96.96025	100.0
98.95622	5.9
101.02440	20.5
109.02953	5.6
113.02460	8.9
116.69991	5.6
125.02459	35.3
126.02819	6.2
131.03511	10.6
134.03874	6.6
135.04520	9.2
137.02458	11.7
137.56367	5.0
149.04558	22.3
151.04018	7.7
161.02472	9.1
162.02809	5.0
164.01251	5.7
187.50035	4.9
220.16809	4.4
251.13072	6.1
268.55280	5.2
297.07632	9.9
309.07715	11.4
309.11090	6.2
327.12457	28.0
339.12329	22.8
400.00595	4.9
431.19077	6.6
447.61600	6.8
563.01129	6.9
578.70233	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	562.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98821	45.2
69.19725	45.7
71.01389	49.4
73.02946	17.3
74.68597	7.0
80.89384	6.9
85.02960	18.4
89.02454	73.6
101.02442	33.8
113.02455	10.8
116.09194	6.6
117.03481	7.3
119.03490	8.8
121.02938	10.5
131.03508	24.7
133.02960	12.1
135.04485	7.6
136.01646	36.7
145.02936	10.4
149.04559	60.4
151.03996	78.9
164.20290	8.2
165.11496	7.9
179.03410	7.6
179.47934	8.9
189.05563	18.6
191.05553	16.2
206.70723	7.6
269.04611	24.3
275.14499	7.5
285.03986	12.5
357.13437	92.5
475.12347	9.0
503.24765	17.1
562.12982	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	562.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.1
57.52633	5.1
59.01384	100.0
61.98833	89.5
71.00330	4.3
71.01386	86.1
71.44183	4.6
72.01746	5.4
73.02969	22.4
73.64078	4.4
74.02478	12.2
83.01383	10.2
85.02959	26.2
87.00879	7.3
89.02446	61.2
93.03442	7.0
95.01377	6.3
99.00866	5.7
101.02460	71.6
102.02763	4.7
104.03527	11.0
113.02431	31.0
115.04015	6.9
119.03485	22.9
120.78320	4.8
125.02488	6.1
131.03511	10.8
135.04559	11.4
136.01692	8.1
143.03520	8.9
144.91214	4.9
151.04008	8.1
154.26564	4.7
161.02498	7.3
161.04561	29.6
164.55905	4.5
179.03479	7.4
179.05692	28.8
185.11844	19.6
186.12227	5.0
190.04971	6.6
191.05565	5.7
327.21637	8.8
357.13632	7.9
357.26324	5.5
410.83185	5.3
434.76569	5.6
443.15311	5.5
448.87524	5.8
469.22482	5.0
489.17523	6.6
501.17807	16.0
520.19568	4.6
562.30286	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	34.9
61.60621	5.4
61.98818	24.8
63.83264	5.2
69.18626	29.1
69.89640	5.1
70.09232	4.9
71.01384	17.1
73.02966	9.0
84.95119	6.6
85.02979	8.1
89.02460	17.2
95.38875	5.2
98.90269	5.0
101.02450	9.5
109.02951	11.3
109.40751	4.8
113.02454	7.2
116.00287	4.4
121.02984	8.9
122.07462	5.3
123.54634	4.9
125.02448	6.7
131.03488	6.4
136.01689	47.2
137.02396	11.5
138.58363	5.9
149.04562	6.3
151.04037	65.7
154.03098	5.0
161.02457	11.2
161.04648	6.1
187.03922	5.1
188.04863	6.7
189.05537	7.7
193.05119	6.4
203.07040	6.0
296.06906	6.8
297.07767	12.1
341.13931	7.5
342.10934	10.2
357.13477	100.0
401.75705	6.0
430.26859	6.0
443.43677	5.7
468.56104	5.7
493.96182	6.3
503.24841	6.8
562.26837	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	562.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36089	6.9
57.03450	7.2
59.01379	63.1
60.01731	7.5
61.98837	44.5
66.38284	7.8
71.01382	40.7
73.02983	11.0
82.95435	10.0
83.01377	8.2
85.02954	12.3
86.00371	7.6
89.02467	21.4
93.03505	7.3
96.96040	11.2
97.09052	6.8
101.02473	15.2
109.02975	14.0
111.42611	8.6
113.02528	10.7
121.02952	12.4
134.03706	8.3
135.04504	10.3
136.01669	53.5
137.02466	18.8
149.04636	11.9
151.04028	72.9
161.02467	23.8
179.03572	14.5
191.03432	9.1
197.94386	7.6
235.50705	6.7
237.59267	8.8
269.04706	19.2
342.11337	13.3
357.13455	100.0
503.25031	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.4
59.01387	36.7
61.84778	1.8
61.98840	3.0
71.01392	32.9
72.44745	1.7
73.02944	9.3
83.01382	2.7
85.02956	8.6
87.00880	3.9
89.02454	35.1
94.93167	1.7
97.02949	3.3
99.00873	3.1
100.83440	2.1
101.02451	19.1
101.56500	1.7
111.00897	2.1
113.02483	9.1
125.02451	5.3
131.03508	13.4
131.25412	1.9
138.06873	5.6
146.54214	2.2
149.04572	13.3
153.09247	17.4
161.04538	3.9
191.05623	5.5
207.13895	3.3
225.15009	21.7
233.06694	2.7
293.08667	5.5
387.20300	6.3
519.24536	100.0
520.24609	6.9
562.20679	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	562.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05142	1.6
57.03447	2.7
59.01385	47.7
61.98833	2.0
71.01386	38.9
71.41511	2.5
72.99297	2.8
73.02950	9.1
83.01387	2.4
85.02944	10.7
87.00916	4.0
89.02455	42.3
96.96024	2.7
101.02458	25.1
111.00925	2.7
113.02464	8.7
115.88227	1.8
119.03519	3.4
131.03523	17.7
135.04512	1.7
143.03539	2.7
149.04579	26.4
152.08415	4.5
167.07156	2.2
191.05624	10.2
233.06639	2.4
266.01685	1.6
293.08893	2.2
301.03513	2.6
387.20184	9.6
431.03116	1.9
517.22528	2.7
519.24518	100.0
520.24951	5.7
587.16693	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	562.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01767	1.1
57.03471	1.1
59.01384	12.3
61.98838	7.6
62.81705	0.9
71.01389	6.4
71.31587	0.8
73.02947	2.2
74.02487	1.2
82.39649	0.9
82.95419	1.4
84.04564	1.9
85.02971	2.1
85.91313	0.9
87.00889	4.9
89.02446	3.2
93.03456	2.2
99.00914	0.9
101.02454	3.8
102.02792	1.2
102.05614	20.5
103.04012	1.4
112.98776	1.9
113.02458	1.3
113.09721	1.1
119.03535	1.4
121.02934	1.0
121.48118	0.9
125.02443	1.2
128.03548	42.5
133.02959	1.5
135.04492	1.3
146.04602	5.8
149.04588	1.1
161.02480	1.2
163.04039	1.7
163.06111	2.0
169.08684	0.9
173.04552	2.9
178.06332	1.2
179.03426	1.5
191.05635	5.0
192.05975	2.8
194.08936	0.9
202.19730	0.8
221.19130	12.4
239.20111	2.2
253.91756	1.0
254.48732	0.9
265.18182	9.6
266.18469	1.3
282.65829	0.9
283.02658	0.9
283.19168	10.8
285.04037	1.8
301.20178	24.3
324.25385	1.4
324.67514	1.0
370.10040	1.7
386.25427	3.9
412.23389	3.2
430.24469	100.0
431.24808	4.0
526.95209	1.0
562.24884	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	562.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27567	1.0
61.98834	100.0
70.99377	1.2
71.15011	1.6
82.68069	1.2
121.02968	2.2
148.71912	1.2
170.98077	1.1
179.03487	1.5
234.75192	1.1
258.93225	1.2
277.21786	1.4
355.83237	1.0
431.73291	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	563.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.9
61.78390	0.2
61.98836	1.8
63.02398	1.2
65.00333	0.6
69.16611	0.9
71.01384	0.6
71.56553	0.1
73.02971	0.2
83.01368	0.3
85.02962	0.3
87.00860	0.1
89.02443	0.5
90.53905	0.1
93.03461	0.2
95.80669	0.1
96.95999	0.2
98.21849	0.3
99.00842	0.3
101.02463	0.5
104.33288	0.2
107.01398	1.3
112.93727	0.2
117.03478	2.8
125.02457	0.3
131.03548	0.3
133.02989	0.2
135.04541	0.4
136.44615	0.1
149.02429	0.8
149.04567	0.5
151.00383	0.7
155.05055	0.2
159.04564	1.4
159.26701	0.2
160.05309	0.4
161.02461	0.9
161.06094	0.2
169.06595	0.3
173.06055	0.2
175.07661	0.4
177.01967	0.2
178.06335	0.2
179.03600	0.2
181.06612	0.5
183.04517	0.7
191.05804	0.2
196.05258	0.6
197.06091	0.7
199.04027	0.3
201.05634	0.4
224.04771	0.4
225.05603	1.3
227.03407	0.4
268.03922	1.1
269.04565	100.0
270.04907	3.9
329.13950	1.4
371.11212	0.3
383.11359	0.6
398.15985	0.2
401.12390	0.3
463.30847	0.2
520.24158	0.2
526.96515	0.2
563.13959	3.2
564.14520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02560	0.3
51.97992	0.3
54.07367	0.3
58.40837	0.2
59.01384	9.6
60.71860	0.3
61.98819	0.4
65.00344	0.4
69.85305	0.7
69.85635	0.5
70.28981	0.3
71.01387	5.3
73.02956	1.1
83.01409	0.7
85.02961	0.9
87.00874	0.5
89.02454	9.2
93.03474	0.7
99.00883	0.6
101.02452	4.6
107.01389	0.7
113.02467	1.1
117.03501	0.5
119.03520	0.8
121.02960	0.4
125.02477	0.6
131.03517	3.6
143.03568	0.4
145.91339	0.3
149.04567	9.0
151.00377	1.4
154.04224	0.8
155.05042	0.4
159.04579	0.6
161.04617	0.4
163.00334	0.4
165.01971	0.4
169.06613	1.8
171.04506	0.9
173.02377	0.6
183.04507	1.8
185.06062	1.1
187.04071	0.9
189.05594	0.4
191.05609	2.0
211.04031	1.5
213.05591	1.3
214.02634	0.7
215.03520	0.6
227.03548	2.7
229.04988	0.9
239.03500	0.5
241.05077	0.4
243.02948	0.8
255.03004	21.9
256.03571	1.0
257.04575	1.5
267.02725	0.3
283.02493	40.7
284.03226	5.4
285.04062	100.0
286.04413	3.1
311.10013	0.3
383.07794	0.3
416.07486	8.5
417.08331	3.6
431.09842	22.6
431.22855	1.5
432.10214	0.8
444.49268	0.4
534.57013	0.3
563.14081	17.3
564.14349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41528	1.0
55.01875	1.6
57.03453	1.8
59.01374	1.9
61.98826	5.3
69.03434	1.8
70.02670	0.9
70.33300	2.0
71.01393	8.2
72.99314	1.4
73.02954	6.5
75.00869	1.0
79.25364	0.8
81.03458	0.9
83.01411	1.9
85.02943	5.0
87.00883	35.4
89.02415	1.0
95.01424	5.6
95.88798	0.8
97.02987	1.2
97.62031	0.9
99.00889	10.9
99.40437	0.9
100.01697	1.0
101.02458	7.3
109.02975	1.6
111.00910	6.4
111.01543	1.0
112.98809	9.8
113.02454	2.1
115.00380	1.6
122.88587	0.9
123.00897	9.9
125.02495	1.1
127.03979	1.5
129.01974	3.0
131.03506	1.6
137.02449	1.6
138.03239	6.7
138.57393	0.9
142.99852	5.9
145.01431	3.5
147.03004	1.2
147.04488	1.2
149.02386	1.2
151.00383	2.2
151.03995	1.2
153.05595	8.7
161.02469	8.7
163.04021	9.0
164.04793	8.1
166.02760	4.5
173.00928	39.0
174.01671	9.7
174.03152	1.9
175.04031	4.2
176.04808	9.1
177.02036	1.5
177.05438	1.5
178.06374	11.5
179.03523	13.5
179.07149	11.0
181.05115	5.9
188.04762	1.7
189.05536	1.7
190.02725	2.8
190.06329	1.1
191.03535	9.1
191.07143	6.9
192.04291	2.0
193.08713	14.6
194.05867	17.4
201.02010	1.6
203.03485	7.3
203.07191	1.1
205.05106	5.7
206.05856	9.4
207.06630	2.3
209.08205	20.6
218.05887	3.4
219.02977	5.0
219.06516	2.0
220.03795	1.1
221.04602	1.6
221.08208	10.3
222.05302	1.0
231.02997	2.4
233.04771	1.0
233.08139	2.2
234.05353	5.5
237.07649	2.5
240.21858	1.0
245.04565	1.8
246.05276	1.4
247.02505	7.6
247.06119	1.7
249.07768	8.7
250.04802	1.1
259.06012	1.0
261.04044	4.2
261.07751	1.4
262.04834	15.5
264.06390	1.4
265.07181	16.4
276.06482	5.9
277.07184	39.3
278.07397	1.1
291.08771	3.0
295.08173	2.2
309.09628	1.5
325.09238	2.4
337.09332	45.4
338.09747	2.0
383.09882	1.9
427.12451	3.3
438.32791	1.0
439.12555	2.7
457.13663	1.2
563.16187	100.0
564.16418	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	0.9
59.01383	9.2
61.98827	0.8
69.68102	2.2
71.01392	3.8
73.02955	0.8
82.33739	0.5
82.95422	1.6
84.02887	0.5
85.02949	1.3
87.00884	0.7
88.58102	0.6
89.02457	2.6
89.61301	0.6
93.03471	0.6
96.96027	0.6
101.02452	1.9
103.72478	0.5
116.92900	1.4
119.03517	1.2
130.39336	0.5
137.02475	4.1
149.04620	1.0
165.01942	39.9
179.03540	1.0
180.04303	65.9
181.04689	1.5
191.05626	2.1
195.06641	100.0
196.06978	1.6
236.53526	0.6
243.47673	0.5
267.08585	1.0
450.00861	0.6
475.91531	0.6
526.84802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.8
58.00592	1.1
59.01389	41.1
59.60767	0.8
61.98831	3.1
62.15417	0.7
69.18707	0.8
71.01389	18.5
71.43349	1.2
72.99332	4.6
73.02948	2.6
83.01408	1.2
85.02955	5.4
87.00892	11.3
88.98792	1.2
89.02452	17.1
95.01411	1.9
96.96004	5.5
96.96970	1.1
97.06551	1.0
99.00901	2.8
99.04526	23.3
101.02467	9.9
103.00361	1.3
103.04024	12.2
105.01961	1.5
109.02959	1.7
111.00899	3.0
112.98815	1.7
113.02444	8.6
119.03519	5.1
121.02961	1.3
131.03516	2.0
132.04668	0.9
133.02992	1.1
135.04541	3.6
137.02533	1.5
143.03476	1.5
149.00926	18.4
149.04579	4.2
150.03246	1.3
160.04118	1.4
161.02499	1.8
161.04593	2.4
163.03987	1.1
165.05560	0.9
166.69801	0.8
179.03528	3.7
179.05444	1.0
179.10747	1.3
183.06554	1.0
189.12880	7.0
191.05612	2.2
207.13918	30.9
251.12906	73.2
252.13197	2.2
285.03979	2.9
307.06995	1.1
431.19153	100.0
432.19501	4.7
559.35785	0.9
563.26465	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	563.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93941	2.5
55.40076	3.3
57.03447	4.7
58.66019	2.9
59.01387	95.4
61.98834	18.0
69.10450	19.0
71.01388	40.8
72.99288	4.2
73.02962	20.9
80.14855	2.6
80.86214	2.6
82.95424	5.2
83.01398	9.3
84.87688	2.6
85.02959	19.1
86.00100	3.3
87.00875	8.0
89.02470	16.1
91.54584	2.8
93.03466	6.3
97.02988	3.1
98.21783	5.5
99.00883	5.8
101.02459	27.6
102.05661	4.7
102.70609	2.9
111.04572	2.8
113.02457	12.6
117.03489	4.8
121.02968	11.3
125.02470	3.4
126.00617	3.3
126.61395	2.8
128.03548	8.9
129.01945	3.6
131.03545	4.8
134.03757	3.9
135.04564	4.9
136.01688	7.2
145.02966	15.2
149.04582	5.3
150.03279	4.4
151.03998	9.4
152.04327	2.9
155.10809	19.0
159.04539	5.3
161.02423	6.8
161.04533	5.2
165.05565	4.0
173.04503	4.6
175.03954	2.8
177.01930	3.2
179.03458	4.9
191.05624	12.0
192.06000	5.4
199.09814	7.4
223.09807	2.8
240.04254	3.1
253.08864	4.2
255.06718	4.9
266.05762	4.3
267.06689	5.1
268.07343	5.0
269.08115	7.7
270.08990	3.6
281.08316	23.3
282.08868	10.1
283.09726	14.8
285.04153	4.8
286.04895	3.2
287.11368	10.7
293.08258	9.6
294.08969	3.7
295.09796	10.5
296.10666	4.6
299.09247	5.3
299.18665	9.7
302.20447	3.7
311.09250	16.2
311.12497	4.3
313.10980	4.0
314.08304	3.2
314.11591	11.5
315.12698	5.3
326.11670	26.8
327.12543	13.2
329.13934	24.5
340.09207	3.7
341.10361	4.8
341.13922	25.3
343.11890	5.4
347.18781	3.2
353.10248	5.7
355.11798	7.9
356.12689	7.4
357.13477	5.2
359.14096	7.4
365.19577	8.1
368.12579	4.2
371.14926	22.8
371.19626	3.6
383.15152	13.2
419.21490	3.1
427.16180	2.8
430.24310	6.2
431.24823	18.7
439.81723	3.1
445.15045	2.8
458.15817	9.5
470.15765	8.6
473.18405	62.1
474.19058	6.8
476.16776	11.2
485.11642	5.4
485.18250	75.4
486.18555	5.6
488.16913	9.0
491.19241	57.8
503.19165	100.0
503.25110	8.8
504.19614	8.9
527.25031	26.4
533.20392	76.7
545.20349	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68807	11.4
52.72091	11.9
58.04318	11.5
61.98835	45.2
65.11451	11.8
65.28931	12.6
69.11565	85.0
98.21911	35.9
100.00584	11.2
104.98407	10.1
112.86027	13.3
135.04512	13.7
149.30951	13.1
255.06674	39.1
291.19659	100.0
359.79709	14.3
525.05487	12.9
563.26349	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03465	2.2
59.01387	49.5
59.57764	1.3
61.98838	7.3
69.15351	8.5
71.01391	41.5
73.02955	11.4
83.01400	5.0
85.02960	13.1
87.00897	2.6
88.98799	1.3
89.02455	34.9
95.01437	1.6
97.02965	2.6
99.00898	7.0
101.02457	29.3
111.00879	4.0
113.02453	10.5
119.03552	2.3
125.02451	3.4
131.03511	13.9
143.03529	4.7
149.04579	15.9
161.04626	6.5
161.05727	1.3
165.65620	1.1
179.05598	1.2
190.64163	1.1
191.05626	4.7
209.15527	2.8
233.06778	2.3
241.33723	1.2
285.04034	1.6
322.60458	1.4
371.20743	16.9
503.25082	100.0
504.25604	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	563.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	42.8
61.98840	1.0
68.53622	0.7
69.70396	3.0
71.01386	23.2
72.99314	0.8
73.02950	8.2
83.01387	1.5
85.02956	2.8
85.82929	0.8
87.00889	1.0
89.02451	47.4
92.85428	0.7
99.00887	7.1
101.02448	20.3
113.02460	4.3
118.47256	0.8
119.03507	2.0
125.02443	1.3
131.03520	13.0
135.01001	0.8
143.03490	0.8
149.04573	43.0
159.04550	0.9
159.56740	0.8
161.04578	1.1
173.06024	0.9
183.04517	1.4
191.05611	9.1
211.04024	1.1
215.03520	1.1
221.06656	2.4
227.03529	1.6
229.05051	0.9
244.21043	0.9
251.07761	2.4
254.66350	0.8
255.02980	19.7
256.03296	1.4
257.04681	0.8
283.02505	39.8
284.03232	6.3
285.04068	100.0
286.04514	4.1
311.09662	2.2
416.07361	9.0
417.08127	4.0
431.09909	20.0
431.18616	1.4
431.23441	2.2
432.09872	1.8
503.25110	1.4
517.22870	0.9
534.70203	0.8
563.13959	16.1
564.14111	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03447	1.9
57.40188	0.6
59.01385	18.6
61.98837	9.2
63.50478	0.6
69.03478	1.4
70.72984	0.9
71.01393	10.9
73.02951	2.4
81.03478	0.8
83.01396	0.9
83.05042	1.0
85.02957	9.9
87.00880	2.2
89.02460	9.6
91.04049	0.7
93.03468	1.3
95.01389	1.3
95.05023	0.9
96.96039	0.8
97.02979	1.1
97.06626	3.8
99.00877	0.8
99.04559	0.6
101.02448	8.5
109.02937	1.2
113.02483	5.0
119.03512	2.7
125.02496	0.9
125.09746	1.5
127.11318	2.0
135.04544	1.9
136.01669	0.7
137.02464	1.5
137.09735	1.6
143.03542	1.2
151.04018	1.8
155.10832	1.5
157.08693	0.6
161.04573	5.1
163.04025	1.1
165.12845	1.1
167.14490	0.9
171.10287	13.3
172.05251	0.7
173.04604	1.4
175.07683	1.0
177.01917	2.1
177.12956	0.8
178.06358	0.8
179.03516	0.7
179.05630	2.3
183.13919	3.3
185.11896	1.0
191.05666	9.9
193.12447	0.7
197.11856	0.8
201.11324	1.9
209.11826	1.6
211.13417	16.8
221.11873	2.8
229.14467	11.7
239.12920	1.7
239.16830	0.7
253.09332	29.3
283.13672	0.7
285.03995	0.9
291.19775	3.9
309.15036	1.0
309.20761	2.7
327.21793	100.0
328.22009	3.2
329.13904	2.4
353.14139	1.0
371.15073	5.5
371.19720	1.0
449.27521	1.4
471.26050	1.4
489.26944	1.4
503.25549	1.2
503.32285	1.3
563.32019	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	563.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.0
70.49507	1.3
78.95923	5.0
105.12906	0.7
143.28084	0.9
152.99596	2.7
168.04350	1.9
176.24950	0.9
196.03838	0.8
209.08160	1.1
242.07886	1.2
281.24872	100.0
282.25168	3.1
309.76770	0.9
506.32584	29.0
507.32709	1.1
563.34387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33351	1.0
54.13678	1.1
62.54797	1.0
69.82021	3.8
74.83695	1.1
78.95913	18.1
87.31502	1.0
95.67259	1.1
98.21987	1.7
110.00126	1.2
120.85777	1.2
152.99594	5.2
154.03494	1.1
168.04260	3.1
224.06938	9.5
242.08023	3.2
255.32227	1.2
277.72491	1.1
281.24875	100.0
282.25211	5.0
320.30029	1.3
506.32559	70.1
507.32727	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	564.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41597	4.7
59.01384	100.0
60.01707	8.2
61.98837	24.8
69.33030	24.7
71.01387	70.2
73.02955	16.3
74.02487	10.7
85.02959	8.9
87.00885	13.7
89.02446	93.1
89.02947	7.2
90.02782	7.9
98.21884	10.1
101.02458	38.7
102.02786	5.9
103.03950	5.3
103.95222	5.1
113.02459	17.7
119.03421	6.5
131.03525	35.0
149.04578	77.0
150.04900	16.0
182.57610	5.5
191.05566	19.0
205.73618	5.8
226.33275	5.6
236.70047	6.2
269.08243	7.0
299.09134	8.1
311.09354	11.7
314.11707	11.9
329.13892	29.4
341.14246	12.6
378.51083	5.1
515.07788	5.3
521.25604	5.9
564.29999	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	564.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20316	3.1
53.20414	2.9
59.01383	100.0
61.48232	3.4
61.98834	14.5
69.10744	23.6
71.01385	60.8
85.02957	9.7
87.00852	3.4
89.02444	86.9
101.02449	30.0
113.02450	21.7
116.92887	4.9
119.03504	28.3
125.02468	3.9
131.03511	5.7
133.11501	4.0
135.04634	3.2
143.03545	5.7
149.04546	6.5
161.04576	8.0
179.05653	15.6
197.79372	3.2
255.10165	4.5
269.11859	3.9
272.96225	3.6
283.09753	17.5
311.09283	43.7
313.83917	3.5
326.11627	38.0
341.13971	50.4
359.14865	5.7
379.80298	4.4
446.40927	4.0
504.25497	13.3
565.24146	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	564.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.3
59.01385	6.3
60.01734	0.6
61.98836	100.0
65.85580	0.2
71.01383	3.8
71.88248	0.3
73.02945	1.5
73.39823	0.3
74.02483	0.5
83.01389	0.4
85.02972	0.7
87.00918	0.5
89.02457	4.2
90.02795	0.6
99.00888	0.3
101.02461	3.4
102.02832	0.3
107.54256	0.3
113.02457	1.0
113.06136	0.3
119.03520	0.4
125.02516	0.3
131.03535	1.1
132.03781	0.4
133.76254	0.3
135.04550	0.3
137.02480	0.4
141.00157	0.3
144.78491	0.3
149.04565	2.9
150.04874	0.5
161.04659	0.4
166.02736	0.3
179.03589	0.6
191.05777	0.8
232.48216	0.4
372.21350	0.4
382.86130	0.3
503.24860	0.4
504.25443	3.8
557.59497	0.3
564.30170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41109	0.2
59.01385	2.6
60.94941	0.2
61.98835	100.0
69.20667	0.9
69.21078	0.4
71.01395	1.5
73.02953	0.7
74.02480	0.5
85.02961	0.5
87.00887	0.4
88.98812	1.5
89.02447	1.2
90.02840	0.2
93.03468	0.4
96.96034	0.3
97.07516	0.2
98.22633	0.5
99.00871	0.3
101.02469	1.0
113.02477	0.7
131.03546	0.3
135.04503	0.4
137.02505	0.4
149.04620	0.7
155.10794	0.3
160.04059	0.8
161.02487	0.6
177.01945	0.3
179.03506	0.4
191.05646	0.8
192.99425	0.2
285.04010	0.6
286.04355	0.4
301.20306	0.3
432.23477	0.3
433.24597	0.8
476.12735	0.4
490.28174	0.3
511.10828	0.3
520.28308	0.2
564.20044	0.4
564.30377	0.4
565.19940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0481
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
52.27501	0.5
59.01390	0.7
62.96401	0.7
66.11100	0.4
68.65474	0.4
69.36665	1.9
78.95908	100.0
96.96066	3.1
96.96964	36.0
111.02002	8.1
120.96974	1.1
132.98256	0.5
136.93941	0.5
138.98009	3.4
141.10173	0.4
150.98019	2.1
158.92548	15.7
167.02013	1.8
174.97971	0.8
174.99359	1.0
176.93614	1.0
178.95012	0.5
189.74110	0.4
192.99095	1.3
211.00131	5.0
220.99400	1.2
223.00233	0.5
236.97134	0.9
241.01183	8.1
254.98293	0.6
264.98361	1.8
272.95740	5.8
280.02310	2.0
280.96103	2.1
294.35349	0.6
305.01736	1.1
320.97864	3.4
323.02856	72.1
324.03311	1.6
384.98486	5.3
402.99310	1.1
422.81943	0.9
422.97382	1.9
504.95074	0.9
515.74323	0.5
565.04767	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.8
59.01388	7.9
59.96708	3.1
61.83719	3.8
69.03461	3.5
71.01393	9.7
71.39855	3.7
74.16549	3.6
79.43198	3.4
81.03474	4.6
82.46211	4.0
87.00898	5.7
89.02457	4.0
102.15292	3.3
111.20481	3.4
112.91715	3.9
113.06091	7.2
116.31268	3.4
118.96648	9.1
146.96185	4.5
151.12694	3.3
156.98225	7.2
170.99770	9.2
175.02469	11.4
175.06059	4.0
175.09839	6.6
186.99219	18.8
210.99344	3.7
213.00940	4.6
221.43448	3.4
229.00270	16.7
231.01840	13.4
241.00443	4.3
259.01526	5.6
283.01309	4.8
301.02277	5.1
331.03571	30.0
391.05655	100.0
570.54034	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	565.1566
Annotation	Chrysosplenoside H
Peak:m/z	Relative Intensity
50.57365	0.5
57.03450	1.3
57.75808	0.5
59.01386	13.4
66.92065	0.5
69.03468	1.4
71.01391	5.9
71.40903	0.6
81.03448	0.6
83.01405	3.5
85.02946	2.0
89.02451	3.6
93.03462	1.9
95.01395	0.7
95.05045	1.7
96.96029	0.8
97.02975	3.4
101.02465	2.7
108.02173	1.1
109.02962	17.2
113.02461	2.0
117.03455	0.8
119.03504	0.8
121.02965	4.2
122.03761	0.9
123.04543	18.0
125.02438	5.8
133.02974	2.0
133.06647	0.6
135.04503	3.2
137.02457	7.4
139.04031	2.9
145.02968	2.1
146.03687	1.2
147.04507	1.0
148.01643	0.7
149.02451	3.7
149.06126	1.4
150.03223	1.3
151.04028	6.8
153.05547	0.9
159.04512	1.8
160.05217	0.7
161.02455	12.8
161.06125	3.9
162.03215	2.2
163.04044	12.2
164.01157	1.3
165.01976	3.5
165.05591	0.7
167.03557	1.1
173.06111	0.8
174.03281	1.0
175.04039	3.9
175.07614	1.5
177.02106	0.6
177.05594	8.4
177.76819	0.6
179.03532	2.8
179.07204	1.2
187.04019	2.8
188.04774	2.3
189.05585	5.4
190.83910	0.5
191.03558	0.8
191.07155	1.2
193.05051	0.6
202.02690	1.8
202.06253	1.2
203.03520	2.8
203.07146	7.6
205.05080	6.7
207.06686	0.6
216.04286	1.5
217.05043	4.5
218.05942	1.0
219.06711	0.8
221.08192	1.0
227.07104	1.1
231.02950	1.7
231.06688	2.1
235.06190	1.0
245.08195	7.4
247.06149	1.4
254.84216	0.5
269.04233	0.5
273.53427	0.5
289.07211	11.5
297.11212	1.4
307.06088	0.8
323.09302	0.6
325.07233	3.3
335.50696	0.6
341.10291	5.9
357.11896	0.7
367.08530	0.8
385.09442	1.1
401.10806	0.7
403.10519	0.8
413.10855	8.2
415.29294	0.5
521.16730	3.1
547.14520	2.0
565.15649	100.0
566.16028	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	565.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47256	0.5
58.56018	0.6
59.01384	16.0
61.98836	0.8
68.79778	0.6
69.19170	3.1
71.01381	0.6
85.49325	0.6
113.48100	0.6
114.91933	0.5
127.03987	0.6
145.03049	0.7
150.03183	0.7
171.08217	0.6
177.01988	1.2
189.01990	2.3
190.02750	3.5
192.86720	0.5
199.07671	1.8
201.02107	0.8
203.03523	1.8
204.04185	0.7
216.04257	0.7
222.01700	1.1
229.05040	0.6
243.06633	35.4
244.07304	1.8
255.52414	0.7
257.08139	3.2
258.09021	0.8
268.14130	0.6
269.04581	2.2
311.12866	4.4
328.13177	24.9
329.13400	1.4
343.15524	100.0
344.15921	4.9
405.61584	0.6
505.26523	0.8
565.22852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26954	0.2
57.03454	0.7
59.01386	15.0
61.98830	1.3
69.16013	1.8
71.01382	0.7
73.02944	0.4
82.95455	0.3
89.02420	0.4
101.02431	0.5
108.02209	0.4
109.02979	0.9
116.92819	0.4
118.04272	0.4
118.06742	0.3
121.41866	0.3
122.39014	0.3
130.08751	0.3
133.02991	0.7
135.04524	0.5
145.02974	1.2
148.01724	0.6
150.74722	0.3
152.01149	1.0
153.01953	0.4
161.02451	0.8
162.03197	0.6
162.52457	0.3
175.04044	0.3
176.01125	0.4
177.01924	1.6
179.10657	0.3
182.02217	1.1
185.06042	0.5
189.01941	5.6
190.02754	4.8
191.03366	0.4
197.04550	1.0
197.06126	0.4
199.07639	0.8
201.01952	0.8
201.05612	0.6
203.03580	0.7
204.04321	1.9
211.07643	0.8
216.04266	0.7
222.01735	0.7
225.09152	0.9
229.05080	2.6
230.05656	0.6
236.03386	0.9
243.06642	5.7
244.07454	1.9
253.05096	0.4
255.06709	0.6
257.04626	1.6
259.09711	1.5
267.06625	1.1
269.05176	0.6
269.08206	12.2
270.08679	0.7
283.13492	0.7
289.10516	0.3
311.12885	7.0
311.16266	0.5
312.13327	0.5
313.10846	5.5
327.12469	1.1
328.13181	25.9
329.13672	1.0
338.51694	0.3
343.15524	100.0
344.15897	4.1
359.15125	0.3
385.26166	0.3
400.72687	0.3
505.27063	0.3
517.15222	0.4
527.25092	0.3
535.15466	0.5
547.15668	0.7
565.14819	0.6
565.22998	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	565.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	39.9
60.94916	9.6
61.98837	25.5
66.92496	9.7
69.35977	44.6
71.01386	33.7
73.02967	13.5
85.02944	9.6
89.02444	16.9
101.02487	15.5
105.88341	8.5
113.02488	12.5
150.67995	9.4
152.07813	11.1
161.04558	10.3
236.35583	10.6
347.98929	10.0
433.27719	11.3
529.26648	100.0
565.24274	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	565.243
Annotation	Okaramine B
Peak:m/z	Relative Intensity
58.52297	4.3
59.01384	26.4
61.98840	100.0
69.26824	23.5
69.27233	9.4
71.01377	17.5
73.02930	5.4
85.02945	7.9
85.97178	4.8
89.02467	22.8
92.25400	4.2
99.00890	10.4
101.02440	12.3
108.02179	15.4
109.02953	16.0
113.02451	5.0
131.03508	4.5
135.04523	6.3
149.04546	8.6
149.23354	4.7
152.01154	16.8
161.04529	4.9
191.05576	7.8
192.91449	4.9
220.82759	4.8
229.08678	5.8
260.35648	4.9
342.69785	4.5
505.26419	12.6
529.26477	28.9
565.23718	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
57.03442	9.0
58.03508	1.1
58.81481	1.2
59.01384	100.0
61.98834	5.1
69.03440	3.3
69.23332	6.8
71.01390	71.4
72.99315	2.1
73.02958	13.7
74.70061	1.3
75.00874	2.0
81.03464	2.1
83.01409	6.3
83.05037	2.8
85.02958	21.5
87.00883	7.5
88.97540	1.1
89.02454	81.6
95.01395	5.0
97.02984	6.2
98.03730	2.4
99.00897	3.4
99.04533	4.3
101.02454	55.9
109.06601	3.2
111.00900	1.7
113.02459	34.2
119.03519	31.4
123.08163	4.4
125.02459	17.7
131.03516	13.1
134.22389	1.3
135.04498	1.3
137.02472	1.3
137.06154	1.6
141.09273	6.1
143.03511	12.6
149.04553	12.6
150.06883	6.5
153.09254	3.1
161.04581	21.7
163.11411	1.6
165.09233	24.3
174.40942	1.4
179.05620	44.3
179.10793	1.9
187.11307	1.6
191.05640	3.1
205.12320	7.4
221.06670	22.2
223.09869	3.1
223.13396	14.6
241.10936	1.9
245.06703	1.4
251.07683	1.4
263.07687	5.2
293.08722	1.4
296.72128	1.2
323.09891	16.3
387.20044	3.0
403.20035	2.4
433.21201	1.7
505.22296	2.9
506.63037	1.5
519.24597	23.1
565.25031	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	565.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02941	38.8
53.87168	49.3
54.07977	50.0
61.98828	55.9
70.93982	63.8
76.22413	42.2
91.41188	39.6
100.64149	42.2
102.20476	40.0
275.20142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38941	50.8
61.98813	45.4
64.41422	45.0
75.16221	51.5
78.69744	50.9
100.05170	49.9
105.22742	45.1
195.51343	49.1
253.09361	63.7
262.34103	50.7
275.20154	73.1
293.21078	100.0
514.74609	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81834	38.5
70.53461	92.5
71.01672	47.5
84.33289	40.1
90.49876	43.8
96.95979	43.8
98.22633	54.0
130.36488	42.4
135.16832	40.7
293.21259	100.0
326.93155	46.4
461.47229	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11276	0.8
55.01880	3.0
57.03443	2.6
59.01387	42.2
59.93293	1.0
60.01738	1.1
61.98839	9.4
69.03459	1.2
71.01390	37.1
73.02964	11.3
76.27100	0.9
83.01424	6.3
85.02959	13.6
86.45015	0.9
87.00878	3.5
89.02456	19.7
97.02961	1.6
99.00900	3.0
101.02458	27.7
111.00896	4.1
113.02462	12.2
115.04011	1.2
118.80772	0.8
119.03516	1.1
125.02459	2.2
131.03519	10.4
143.03552	1.3
149.04590	6.1
159.03009	1.2
161.04576	7.4
179.03401	1.2
191.05638	1.4
233.06703	3.4
249.70488	0.9
293.08731	1.7
301.20264	4.7
355.21027	1.2
356.99210	0.9
373.22342	16.2
443.89639	1.0
505.26614	100.0
506.26541	5.2
534.58423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	55.4
59.82087	3.6
61.98833	27.2
66.34456	3.1
71.01383	26.8
73.02939	14.3
83.01400	7.6
85.02963	12.9
87.00887	7.4
89.02467	12.1
98.22661	8.6
99.00900	3.4
101.02433	22.6
112.98792	5.7
113.02464	12.7
122.03726	3.4
145.03018	3.7
161.02531	3.9
161.04552	8.5
179.03587	3.2
221.19086	16.1
265.18127	12.6
283.19186	13.3
301.20233	93.9
302.20752	3.8
361.16479	12.4
365.37042	3.2
373.22284	17.6
433.20844	11.4
479.78802	3.4
505.26581	100.0
565.22064	4.8
565.44611	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	565.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03444	2.7
59.01385	60.9
61.98834	21.8
61.99322	1.4
69.03475	1.4
71.01389	37.3
71.04710	1.6
72.33291	1.2
72.99311	1.9
73.02948	6.9
74.02499	1.3
79.20747	1.3
83.01394	4.3
85.02971	10.1
86.19614	1.2
87.00873	4.2
89.02454	33.8
93.03483	1.7
95.01374	2.6
97.02936	1.6
99.00883	3.9
101.02452	25.6
102.86812	1.2
111.00874	3.0
113.02470	12.6
117.05647	1.2
119.03515	3.9
121.02976	1.8
125.02444	3.9
131.03494	11.3
133.02936	1.9
134.03700	1.3
141.06750	1.7
143.03477	1.7
149.04578	13.8
153.58069	1.1
161.02467	1.7
161.04546	3.8
165.05580	2.2
177.01895	1.5
179.03471	1.9
191.05659	6.6
201.11397	1.9
236.10342	1.8
253.09250	2.3
259.09937	1.8
281.09436	1.6
283.10883	2.7
293.08826	2.8
305.11087	1.2
327.09641	2.1
327.21671	2.0
328.22107	2.8
329.23148	6.9
355.39935	1.2
371.82739	1.4
373.22217	12.0
386.82739	1.3
489.14847	2.3
505.26617	100.0
505.33420	3.7
506.26852	4.8
523.34357	1.6
565.28986	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	565.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.8
57.03454	6.9
59.01383	81.8
61.98837	57.1
71.01389	34.6
71.27972	2.1
73.02952	14.2
74.02460	2.4
75.00896	3.2
83.01388	8.3
84.77607	2.4
85.02952	17.2
87.00890	3.9
89.02451	9.3
95.01353	2.5
99.00874	5.5
99.04529	3.8
101.02466	30.5
109.02982	3.5
110.35529	2.6
111.00892	4.8
113.02465	12.4
125.02460	5.8
161.04575	9.5
189.01959	2.4
211.13463	2.9
244.07275	4.8
253.09392	5.1
259.09686	4.9
325.27341	3.3
329.23288	8.9
487.32913	20.7
505.27539	3.8
505.33868	100.0
506.34201	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	565.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87474	6.3
53.40131	6.8
60.92365	5.9
61.98827	7.5
65.71902	6.1
65.98270	6.5
67.32995	6.1
71.45685	10.9
78.95906	22.3
94.92513	22.1
118.35765	7.3
124.55876	6.2
152.99635	29.8
185.22041	6.2
224.06947	7.4
255.23361	48.9
279.23361	12.7
283.26447	100.0
307.87546	6.8
441.82550	7.5
452.40585	6.8
483.27344	33.9
508.34064	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53156	0.3
59.01388	0.6
61.98825	0.6
71.01381	0.8
71.27589	0.4
85.02947	0.7
93.03468	56.9
94.03808	0.8
126.70311	0.3
134.04749	2.0
137.02460	100.0
138.02791	1.3
192.51791	0.4
227.57381	0.4
290.00131	0.5
299.07748	5.2
441.67218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98834	100.0
68.06061	0.2
70.81937	0.4
71.01377	0.3
73.36939	0.2
89.02475	0.3
116.92876	0.2
137.02461	0.2
143.48616	0.2
151.04010	0.4
153.01874	0.3
248.31766	0.3
357.13666	0.3
499.72452	0.3
508.83936	0.2
524.24689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27307	3.6
59.01378	8.3
59.89732	4.1
60.89939	4.1
61.69721	4.3
61.98838	6.9
69.23255	12.0
69.23677	15.8
71.01404	15.1
75.00900	8.9
78.91920	6.0
83.01394	10.9
87.00890	14.0
98.21897	8.9
102.01624	4.4
105.01868	4.0
108.30885	4.0
109.02959	17.7
111.00896	16.9
113.02477	4.7
113.99567	5.7
115.00362	42.4
133.02956	7.3
135.04514	14.1
139.00381	14.2
149.02490	7.1
156.00638	11.6
157.01448	30.1
161.02434	9.8
173.02441	7.4
174.01736	17.6
175.02475	49.8
175.03975	6.7
177.02026	6.3
178.48947	4.4
191.03513	9.7
193.05057	34.7
201.01894	10.2
205.05074	5.2
206.02301	5.3
207.06650	10.7
219.06757	6.2
233.04581	19.7
234.05377	12.6
251.05609	9.0
279.05161	4.9
289.07083	10.5
297.07309	6.1
307.08224	100.0
308.08844	5.6
309.06046	4.0
312.10046	5.9
327.12372	17.9
355.10434	5.9
357.13495	13.7
375.14404	7.1
387.14713	4.9
405.15509	7.9
465.59061	4.3
469.13504	48.9
471.11340	27.9
495.11215	8.8
513.12537	29.3
547.11865	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	567.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.6
55.38578	1.0
57.03448	1.9
59.01387	100.0
61.98840	25.5
64.58118	1.1
69.03468	17.7
69.41455	4.3
69.41873	1.7
70.13322	1.3
71.01390	71.8
72.99313	1.4
73.02956	11.8
74.02470	3.4
74.21086	1.1
79.01891	3.8
81.03474	3.8
83.01393	7.8
85.02964	19.0
87.00867	7.1
89.02457	64.5
90.02805	1.7
93.03481	1.5
95.01403	4.9
97.02957	17.4
98.21902	2.4
99.00888	3.8
101.02461	46.8
102.94187	1.4
107.01408	9.4
108.02185	29.3
109.02978	16.2
111.00896	3.0
112.98830	1.5
113.02470	26.2
115.04005	2.0
119.03516	33.7
125.02468	42.7
129.00189	1.5
131.03502	7.1
132.04579	2.5
133.02951	2.7
135.00906	17.8
135.04529	2.0
137.02443	2.3
139.04073	1.6
143.03546	6.5
143.04446	1.4
149.04556	3.2
151.00392	2.0
152.01180	46.0
153.01942	25.4
155.69063	1.2
161.04555	10.5
173.00926	1.3
177.01895	1.5
179.03430	2.0
179.05649	11.2
195.65382	1.4
197.06041	2.1
210.05885	1.4
221.06679	16.1
243.06648	15.0
245.06639	3.8
255.02792	1.5
263.07794	6.1
277.12305	1.7
285.04117	2.2
292.68979	1.3
308.68063	1.3
323.09943	10.0
343.11401	2.1
357.08374	1.8
361.11996	1.8
363.23901	2.7
369.22736	4.2
374.22931	1.5
390.21329	1.4
449.44464	1.2
459.11499	50.6
460.11218	1.4
467.42511	1.4
507.28116	18.4
525.29211	17.7
526.77997	1.3
531.28308	1.8
535.12256	4.2
567.25409	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	567.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44391	0.7
59.01386	12.4
61.98835	96.9
62.98543	1.0
63.99273	1.0
65.03962	3.0
67.01891	2.4
69.03460	1.0
70.74131	1.4
71.01395	10.1
73.02957	2.0
75.00874	1.3
83.01405	0.9
85.02954	3.3
85.45382	0.7
87.00906	1.5
89.02459	8.6
91.01902	21.4
93.03462	1.5
97.02951	0.9
97.67117	0.8
99.00901	1.5
101.02452	7.4
101.81178	0.7
104.51912	0.8
108.02194	2.1
109.02959	26.4
112.98860	1.0
113.02454	3.2
115.04065	0.9
119.03500	3.3
121.02997	2.0
125.02456	2.0
127.05522	0.9
131.03511	1.7
132.01918	0.7
133.02998	5.6
134.03726	1.8
135.00903	66.8
135.04527	8.4
137.02446	2.0
143.03546	1.8
149.02426	0.7
149.04581	1.2
153.01953	100.0
154.02254	1.1
155.10895	1.0
157.27707	0.7
161.02510	1.1
161.04601	2.1
175.27310	0.7
177.01974	3.7
178.02687	1.7
179.03526	10.7
179.05565	2.5
189.05737	1.0
191.05624	1.8
197.06042	1.8
209.08212	1.2
215.07230	0.7
221.06714	1.7
236.32574	0.8
243.06622	4.1
255.02983	0.9
273.20807	1.5
282.78815	0.9
323.09659	0.9
435.26111	6.3
459.11499	6.1
507.27722	1.3
521.26111	1.2
567.32001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.9
59.01380	22.1
61.98835	22.4
68.99828	16.1
69.38467	14.1
71.01382	10.8
73.02949	3.6
82.95417	5.2
85.02964	4.3
89.02451	8.2
93.03468	3.7
93.27338	3.1
96.96015	8.2
101.02448	9.7
107.01327	3.7
108.02167	28.0
109.02973	9.6
111.00871	3.7
113.02519	3.7
116.92879	3.0
121.02959	5.6
122.03659	4.1
123.00888	15.7
123.04533	38.8
133.02994	5.1
135.00870	6.1
135.04518	8.2
138.03238	23.9
149.02460	3.3
150.03287	15.9
151.03976	4.2
153.01961	8.9
161.02434	20.3
162.03255	53.9
163.04059	21.7
164.04729	6.8
165.05627	5.5
177.02029	4.7
177.05588	69.9
178.02728	27.7
179.03514	10.2
191.05574	3.9
193.05070	100.0
194.05786	22.2
195.06622	4.1
209.08223	5.0
271.53687	2.8
304.33307	2.9
505.17041	4.3
533.91095	4.1
537.19800	31.1
549.19672	9.6
567.12024	6.3
567.20868	96.1
568.21362	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	567.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49533	0.7
59.01392	3.9
61.98825	0.9
65.83075	0.8
69.39262	3.9
71.01384	2.4
73.80580	0.7
85.02956	1.4
89.02470	1.0
104.14755	0.8
108.02189	3.0
109.02960	8.3
113.02409	1.0
120.40873	0.7
121.02966	0.9
122.03732	1.3
123.00922	1.8
123.04547	2.0
124.01662	4.7
134.54446	0.8
135.04555	1.7
136.01657	10.3
137.02440	1.2
139.04021	6.9
143.04970	1.0
145.02962	1.7
146.03754	1.3
147.04559	1.2
150.03224	1.0
151.00381	2.6
151.03999	11.0
159.04567	1.4
160.01701	1.1
160.05344	1.3
161.02480	3.5
161.06081	2.5
166.02711	6.9
172.05347	5.0
173.02457	4.2
174.03242	3.1
175.04056	4.9
176.04767	0.9
177.05524	0.9
180.01706	0.8
181.05069	5.0
189.05623	7.6
190.06349	6.6
191.03607	2.0
191.07210	1.6
205.05139	3.7
206.05812	2.9
207.06557	0.8
220.07407	2.1
221.08224	5.8
225.05612	0.9
238.06456	1.8
253.05029	1.9
254.05847	1.8
265.05139	1.9
266.05890	3.3
272.48520	0.8
277.05008	1.1
278.05872	1.0
279.06604	3.6
281.04691	1.2
281.08173	1.1
282.05344	33.2
294.05292	4.7
296.06955	0.9
297.07724	35.4
298.08032	2.0
309.07758	8.3
311.09509	1.5
312.06711	2.4
312.10046	40.0
312.33124	0.9
313.10376	3.0
324.10037	4.1
326.11884	1.0
327.12384	100.0
328.12900	4.1
339.12509	1.4
342.11105	22.4
343.11392	1.1
345.13403	1.7
357.13458	75.5
358.13977	2.8
375.14523	54.9
376.14987	1.6
387.14597	10.5
405.15570	47.3
406.15878	2.2
432.60852	1.0
451.06601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.5
61.98836	8.6
65.00858	1.1
69.08999	7.8
71.01401	2.2
71.33529	1.0
81.51031	1.3
83.24062	1.0
89.02451	1.4
93.03478	2.6
109.03004	2.0
121.02964	10.7
123.04504	1.4
146.03745	2.3
147.04584	1.8
149.02466	45.8
150.03151	3.3
152.01097	1.5
158.03754	1.1
159.04564	1.9
161.06050	1.5
163.04021	1.6
164.04828	10.5
165.05502	1.5
175.03992	4.5
177.05548	4.5
179.03535	1.7
179.07091	1.2
195.06607	1.4
216.19711	1.2
219.06537	1.2
223.07648	1.3
224.06706	1.2
228.46834	1.0
237.05750	1.6
239.07060	1.1
249.09193	1.6
251.07262	2.2
261.05692	1.2
263.07156	2.0
265.08646	2.6
267.06717	3.2
267.10333	4.3
269.08246	3.1
276.07800	1.3
277.08755	6.2
278.09097	1.2
279.06616	3.7
281.08170	4.0
283.09427	1.3
291.06509	1.2
293.08142	2.5
294.08969	2.5
295.06439	2.0
295.09787	9.8
296.10526	1.9
297.07794	9.7
305.08151	2.2
307.09756	1.4
309.07675	14.4
309.11386	3.8
310.08264	1.4
312.10144	8.4
323.09442	1.4
324.10043	7.3
327.12381	21.8
339.12381	22.0
340.12717	1.5
399.12558	1.6
399.54050	1.2
417.13565	1.3
419.15582	1.4
427.12085	2.1
431.14978	7.1
441.12717	1.4
442.14151	5.1
443.14856	1.5
445.16495	4.6
457.16544	10.2
459.14191	2.3
475.17682	35.8
476.18063	2.2
487.17734	8.5
505.18741	100.0
506.19174	7.2
507.35425	1.3
531.28119	3.6
567.26001	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	567.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
57.03462	1.7
59.01385	52.6
61.98827	2.4
69.60620	2.9
71.01385	29.0
72.99316	1.2
73.02950	8.5
83.01399	2.2
85.02962	9.2
87.00874	3.3
89.02449	29.0
93.03481	1.0
95.01409	2.4
95.05026	1.5
97.02957	1.4
98.22626	1.5
99.00898	1.0
99.04523	1.5
101.02452	18.9
109.02996	2.1
113.02452	10.4
119.03522	9.3
120.28505	0.9
122.03724	1.5
125.02405	1.2
131.03523	1.8
135.04555	1.6
139.11339	1.7
143.03572	1.8
149.02423	3.5
149.58643	0.9
150.03232	9.4
150.05127	0.9
161.02487	1.9
161.04596	6.0
163.11288	7.3
165.05563	11.1
177.41180	1.0
179.03587	2.8
179.05624	13.4
180.04242	1.2
181.12358	29.1
182.12764	1.3
183.10306	2.3
191.05656	1.4
194.05835	1.7
195.06633	7.9
207.10284	2.1
209.08292	4.3
221.06781	1.1
225.11339	100.0
226.11696	2.5
239.12869	1.8
241.70699	0.9
243.12361	10.2
249.11407	2.3
267.12430	4.9
305.08102	1.0
357.13446	2.7
387.16525	9.7
404.61703	1.2
405.17590	70.5
406.17990	3.1
447.18509	2.6
455.32614	1.2
477.19980	1.7
507.20868	4.5
520.24701	1.0
521.25806	1.8
567.22260	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	567.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	66.4
61.98831	66.7
70.73518	12.7
71.01391	27.6
75.03861	8.7
85.02995	12.8
89.02470	53.3
95.21124	8.3
99.00864	16.3
101.02440	28.1
109.02946	11.8
110.23274	9.5
119.58526	11.1
123.04548	15.5
133.02974	13.3
134.03773	22.5
135.04562	11.3
137.02477	17.0
144.22794	10.0
149.04590	50.5
151.04028	42.3
155.91518	9.3
156.75008	9.1
161.02434	20.2
161.06261	9.1
161.25055	9.8
165.05637	11.5
176.01175	15.2
179.03458	12.0
181.05103	16.1
191.03563	13.7
192.04121	10.9
193.05067	35.7
225.05632	18.1
243.06662	66.0
253.05339	12.0
351.21854	24.7
369.22754	100.0
405.11859	17.6
429.59317	11.3
446.43259	10.6
531.27850	74.4
559.63147	12.3
567.17932	10.9
567.26013	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	45.0
61.98835	83.7
62.23965	6.4
69.11033	40.2
71.01379	27.4
73.02960	13.7
85.02958	7.7
85.12502	6.7
89.02460	23.8
89.57662	7.2
99.00870	9.3
101.02440	25.1
105.79874	6.6
113.02467	11.5
129.12157	6.1
136.69737	7.2
149.04587	11.5
149.99635	14.1
161.02466	9.0
217.70331	7.9
273.07730	16.0
291.08868	7.6
507.27792	7.4
531.28192	92.5
567.25793	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	567.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97051	6.2
59.01385	43.2
61.98833	95.3
65.29068	7.1
69.26350	17.2
69.26733	18.4
71.01392	30.7
83.01442	7.2
84.76495	6.5
85.02980	13.6
89.02447	21.3
90.13259	6.6
98.22723	12.3
101.02458	15.1
113.02469	7.9
121.02888	6.6
135.04565	7.4
137.02527	7.4
137.55716	6.5
149.02408	8.4
161.04636	11.5
177.02049	7.3
224.65903	6.9
338.88812	6.8
345.26465	12.5
507.35379	18.5
523.88007	8.2
531.28192	100.0
567.25836	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3002
Annotation	Scutianine L
Peak:m/z	Relative Intensity
58.51476	3.6
61.98835	6.6
62.20497	3.8
68.99577	4.0
80.20022	4.2
84.76588	4.0
86.08257	3.9
96.96044	6.4
105.26210	3.7
115.72694	5.0
179.21283	4.2
193.11414	4.2
305.53473	5.4
481.36066	6.3
487.34540	25.8
567.30029	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	567.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50809	1.0
55.01878	1.9
57.03447	3.6
59.01386	44.9
61.98842	11.5
69.03455	1.1
71.01389	36.4
72.99290	1.7
73.02953	15.8
75.00877	1.9
76.58547	0.9
78.39624	0.8
83.01390	7.5
83.05038	0.9
85.02959	15.9
87.00860	2.7
89.02457	18.2
89.55663	0.9
91.92383	0.9
95.01382	1.1
96.96032	2.0
99.00892	5.1
101.02454	31.3
109.02947	1.2
111.00905	3.0
111.68872	1.1
113.02456	12.7
115.04023	1.5
115.92114	1.3
116.92892	1.3
119.03503	2.3
125.02442	2.7
129.01961	1.1
131.03522	7.5
135.04492	2.4
137.02441	2.2
143.03496	1.8
149.04555	4.8
150.03229	1.1
155.10797	3.2
159.03062	1.4
160.04044	1.3
160.11754	0.9
161.04564	8.5
165.05615	1.3
179.03542	1.6
179.05659	1.4
189.05554	4.6
191.05560	4.7
233.06622	1.7
285.14886	1.0
293.08557	1.3
367.21066	1.1
375.23904	19.4
419.19397	1.6
449.20248	1.3
478.97250	1.0
507.28198	100.0
508.28598	5.4
521.26221	1.5
523.27625	1.5
551.11993	1.1
567.22607	4.0
567.31055	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	567.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03447	2.8
59.01385	29.7
61.98839	19.1
64.82212	1.8
65.66671	1.8
69.17261	13.2
71.01395	33.2
73.02950	17.5
83.01380	5.9
85.02959	16.0
87.00909	3.0
89.02464	13.7
94.98076	3.9
99.00899	8.1
101.02454	29.6
111.22368	2.0
113.02486	11.5
115.03979	3.0
123.23215	2.3
130.68439	1.8
131.03535	3.5
135.04483	2.2
161.04556	10.0
164.97990	2.2
301.20200	2.0
302.20590	3.0
350.35696	2.0
375.24060	15.1
507.28128	100.0
508.28299	4.6
532.24774	2.3
567.32129	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	567.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.3
59.01082	5.0
59.01387	100.0
61.98840	23.9
66.64877	2.2
69.15704	4.8
69.16111	8.8
71.01394	50.2
73.02945	12.1
82.23570	2.6
83.01370	2.9
85.02974	13.4
87.00858	2.7
89.02455	21.7
95.01433	2.2
96.95994	1.9
99.00898	4.9
101.02458	31.6
110.83955	2.1
113.02458	22.0
119.03518	8.4
125.02415	2.2
131.03503	4.1
133.02995	3.2
135.04543	3.4
143.03499	5.2
145.89696	2.6
149.04567	4.8
159.03059	2.7
161.04590	28.5
179.05600	5.2
196.39030	2.5
196.65250	2.4
262.79617	2.5
345.30219	9.3
373.03864	2.4
381.34229	2.4
447.33908	2.5
477.36533	2.6
507.27927	4.4
507.35443	87.5
508.36151	5.7
567.33282	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	568.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98833	100.0
69.22464	0.7
69.22869	0.5
71.01387	1.0
73.02943	0.3
85.03006	0.4
89.02454	0.5
90.02768	0.3
92.16582	0.2
99.38584	0.2
101.02452	0.8
106.49765	0.3
116.92972	0.3
138.68549	0.3
139.36047	0.3
142.83427	0.3
149.04568	0.4
165.75302	0.2
169.06041	1.4
170.06438	0.9
213.05176	0.6
214.05394	0.5
241.66594	0.3
250.46425	0.2
253.33273	0.2
286.88593	0.2
315.88477	0.2
531.28546	0.4
532.28772	0.9
567.33441	0.5
568.33929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23536	0.2
57.53061	0.2
59.01360	0.4
61.98837	100.0
69.14778	0.9
69.15199	1.0
74.00182	0.3
84.87083	0.2
104.05183	0.3
118.47440	0.3
151.04071	0.3
177.01909	0.4
179.03621	0.3
248.37871	0.3
343.11880	0.8
343.15579	0.5
344.16049	0.3
345.15988	0.6
544.26306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98833	100.0
67.91212	0.4
69.15060	3.1
72.51045	0.5
84.55358	0.4
89.69833	0.4
104.02692	1.1
148.01625	2.2
149.32991	0.5
175.01738	0.5
176.01155	11.8
191.03519	18.8
200.01234	1.5
201.38391	0.5
343.15656	0.5
345.16223	0.6
417.13953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
59.68240	0.3
61.98837	100.0
70.03564	0.3
71.01403	1.2
71.44160	0.3
82.87535	0.3
85.02989	0.6
89.02488	0.7
97.02978	0.3
101.02441	0.7
113.02453	0.4
149.59843	0.4
178.78267	0.3
188.76051	0.3
310.79703	0.4
358.23825	0.3
507.27826	0.9
508.28342	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	568.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91339	0.2
59.01384	0.8
61.98837	100.0
70.76124	0.3
70.76493	0.2
71.01399	0.4
85.02972	0.3
89.02455	0.4
96.96048	0.3
101.02477	0.2
105.01989	0.2
116.92872	0.3
149.02414	0.2
149.04649	0.2
153.27489	0.2
191.05705	0.2
194.05614	0.1
194.15648	0.1
194.83530	0.1
352.18085	0.2
422.83301	0.2
481.99063	0.2
508.27298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67751	0.2
59.01390	1.2
61.42022	0.2
61.98836	100.0
69.26883	1.0
71.01383	1.0
72.51522	0.2
73.02946	0.3
82.95419	0.2
85.02954	0.2
89.02462	0.3
89.60674	0.2
98.22664	0.4
101.02470	0.7
113.02505	0.3
135.04532	0.2
155.00227	0.2
161.02473	0.3
161.04713	0.3
191.88971	0.2
193.70523	0.2
209.59230	0.2
303.95639	0.2
362.22903	0.3
363.23795	0.3
509.30032	0.5
532.28516	0.3
568.26202	0.3
596.76379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98838	3.5
70.60604	0.5
70.60928	0.4
71.01380	0.4
72.01742	0.4
73.02940	1.0
85.36682	0.3
85.87090	0.3
89.02443	0.6
93.03477	0.4
96.96033	0.7
97.90850	0.3
98.80907	0.4
99.00903	0.7
99.92587	10.5
101.02501	0.4
107.05053	0.4
108.02168	0.5
109.02984	0.7
116.92873	100.0
117.01926	1.6
117.92882	2.2
121.02982	0.8
123.04517	0.6
125.02470	1.0
133.03011	0.5
134.03790	1.6
135.04541	0.7
136.01653	0.6
137.02444	0.8
141.79425	0.3
149.02441	0.8
150.03212	2.1
151.03990	0.6
161.02429	0.8
162.03241	27.7
163.03947	0.5
164.04906	0.4
165.05597	1.6
173.58089	0.4
175.04143	0.4
177.02057	0.8
177.05588	24.8
178.05994	0.5
179.03598	0.8
181.05074	0.5
189.02000	0.4
190.99760	0.5
191.03523	0.8
193.05080	0.8
195.06606	1.2
196.07306	0.4
207.06586	0.4
211.09756	0.7
215.03529	0.6
219.00543	0.4
243.06740	0.5
255.03046	0.4
267.06732	1.0
279.06598	0.5
338.08087	0.9
341.06537	0.7
341.10358	2.5
343.11801	0.7
346.14154	0.5
353.10312	2.7
361.16470	2.0
371.11429	4.0
443.47308	0.4
451.10434	0.5
533.16534	0.3
540.91949	0.4
569.13025	0.5
569.21875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68091	0.3
55.01886	1.0
57.03448	2.1
57.86198	0.3
58.00598	0.8
59.01383	53.5
61.98833	0.6
67.01879	0.5
69.03078	0.6
69.03462	15.9
69.06548	2.0
71.01387	27.0
72.99308	1.0
73.02950	2.7
75.00865	0.5
81.03444	0.6
83.01395	2.5
83.05029	4.6
85.02960	9.4
87.00883	7.1
87.04496	1.6
89.02452	25.8
93.03470	1.0
95.01399	2.7
95.05041	0.8
97.02966	0.9
99.00878	1.2
99.04485	0.4
101.02453	20.2
109.02981	0.9
111.00883	0.7
111.04530	5.7
112.01674	3.0
112.20548	0.3
113.02463	42.1
113.06065	0.4
114.02797	0.5
115.03999	1.0
119.03519	10.7
119.04867	0.4
121.47704	0.3
123.04551	1.4
125.02464	0.9
125.06100	0.3
127.03983	0.5
130.02722	1.0
131.03523	9.9
133.05077	3.2
137.02452	1.0
139.04010	0.4
143.03445	0.4
149.04599	0.5
151.03951	0.4
155.03534	2.6
161.04558	1.1
165.05612	0.8
167.03558	0.5
179.05606	1.1
203.05598	1.1
237.98430	0.3
248.46361	0.3
275.07755	10.6
293.08804	79.7
294.09195	1.7
317.08719	3.0
382.82590	0.3
386.52405	0.4
389.10947	2.8
419.12674	0.4
457.21527	0.4
502.56964	0.3
551.16052	1.1
569.17242	100.0
570.17474	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42520	1.6
57.03457	2.0
59.01384	59.9
65.61752	1.9
66.15924	1.8
69.03456	17.3
69.74997	6.3
71.01382	30.8
73.28789	1.8
75.30749	1.7
83.01376	2.5
83.05019	4.6
83.80492	2.0
85.02951	7.8
87.00882	9.3
89.02449	34.7
89.43517	2.0
95.01390	3.9
95.88783	2.5
97.02959	1.9
98.24913	2.0
101.02438	21.6
111.04526	5.7
113.02461	41.1
119.03524	13.5
131.03510	13.9
133.05057	3.2
139.01892	1.8
155.03535	2.4
181.45949	2.1
200.59576	2.0
275.07700	8.0
291.81000	2.3
293.08807	99.7
294.09085	2.5
305.78314	2.3
569.17285	100.0
570.17438	3.1
596.19696	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	569.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10060	3.8
56.36696	3.6
57.03066	3.8
59.01384	50.6
69.06413	24.1
69.06734	4.4
71.01389	22.0
71.49718	3.3
73.19259	3.1
85.02939	5.0
87.00851	4.9
89.02457	23.3
101.02441	15.2
113.02474	19.4
119.03463	6.8
131.03487	5.8
201.74017	3.8
209.31543	3.8
228.81183	3.9
293.08829	100.0
384.26715	4.1
406.60147	3.8
420.01685	4.2
533.51123	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29190	1.0
57.03462	1.8
59.01386	46.1
69.03465	13.9
71.01019	1.7
71.01390	22.1
71.11075	1.1
72.99291	1.0
73.02950	2.2
83.01392	2.7
83.05024	5.5
85.02960	6.1
87.00882	5.9
87.04519	1.4
89.02454	20.2
95.01415	1.2
97.02982	1.1
100.50676	1.0
101.02466	15.0
111.04518	4.1
112.01678	2.2
112.50278	1.1
113.02462	34.5
119.03502	8.2
130.02730	1.5
131.03502	7.8
133.05086	3.4
155.03535	1.7
165.50806	0.9
275.07678	7.5
293.08826	55.0
294.09259	2.2
317.08783	2.8
389.10745	2.9
569.17273	100.0
570.17743	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	569.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50467	3.9
59.01384	70.8
62.88499	3.6
66.78567	3.6
69.03462	9.6
69.05313	3.4
71.01390	50.9
71.18462	3.5
73.02949	8.5
82.95425	23.5
83.01389	6.6
83.05041	17.0
85.02957	11.1
87.00864	14.3
89.02455	44.3
93.03458	8.5
97.02938	4.5
98.21966	4.1
101.02452	48.1
109.03009	4.9
111.04529	23.4
113.02458	50.0
113.70152	3.3
119.03508	20.0
121.03014	4.6
121.64112	3.2
123.04525	8.1
125.02502	5.7
131.03490	15.4
135.04570	4.9
137.02464	9.6
138.42143	3.6
150.03343	3.5
151.03969	6.2
155.03535	4.3
161.04590	5.9
167.03568	6.4
173.04706	4.6
175.02507	6.3
177.01915	7.0
179.03493	4.7
179.05655	8.8
275.07910	20.8
293.08847	100.0
317.08856	46.4
347.09811	13.3
354.00598	4.2
407.12228	11.7
431.11502	4.5
513.02478	4.3
569.17578	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48571	0.3
55.01872	0.6
57.03417	0.4
59.01387	8.6
61.98829	0.6
66.81391	0.4
71.01383	5.7
73.02960	3.8
75.00868	0.7
83.01404	1.3
85.02979	3.9
86.00092	0.4
87.00864	0.4
89.02454	1.4
93.03485	1.0
95.01401	0.7
99.00882	0.7
99.92598	8.4
101.02459	6.9
101.88903	0.4
105.01962	0.6
108.02209	0.8
113.02477	2.0
114.01858	0.4
116.92874	100.0
117.01937	0.5
117.92886	1.5
120.99657	0.5
121.02969	2.0
122.03761	4.9
127.62671	0.4
132.02242	0.6
133.02957	1.5
134.03836	0.9
135.04570	0.6
136.01617	0.6
147.04526	0.5
149.02458	11.6
149.06085	1.7
150.03246	31.9
151.03789	0.7
153.05573	0.5
161.02562	0.5
163.04042	0.6
164.04834	3.7
165.05582	29.9
166.05986	0.7
179.03412	0.5
180.04309	1.7
181.05103	1.6
195.06639	15.1
196.07442	2.3
197.08128	0.5
211.09773	3.8
242.64598	0.4
296.23087	0.5
344.12692	2.0
345.13156	0.4
359.14896	5.0
373.15091	11.2
437.08435	0.5
521.20325	38.2
522.20642	3.0
569.22559	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.258
Annotation	Salviadienol A
Peak:m/z	Relative Intensity
61.98817	2.0
70.83597	1.8
84.93884	2.5
99.92603	31.8
100.93380	24.4
115.92091	31.0
116.92848	3.9
118.33128	1.5
125.09739	2.6
125.62435	1.3
165.97243	5.9
167.25256	1.3
171.10336	2.4
389.27917	1.6
469.33588	3.8
471.33969	3.5
500.54944	1.5
539.24927	3.3
551.24609	9.8
569.25800	100.0
570.26367	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	569.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.5
69.14296	0.7
69.14703	0.9
71.01405	1.2
73.02950	0.5
75.00875	0.8
85.02982	0.5
89.02456	0.8
97.63996	0.2
98.21937	0.5
99.00922	0.3
99.92596	7.6
100.92615	0.4
101.02464	1.0
108.36799	0.2
116.04349	0.2
116.92876	100.0
117.01970	1.5
117.05587	1.2
117.92874	2.1
119.46724	0.2
120.99686	0.3
131.03535	0.3
135.04469	0.3
137.02432	0.3
145.83327	0.2
149.02414	0.5
150.03212	0.9
165.01938	0.4
165.05580	1.0
171.10210	0.3
179.03519	0.6
179.82796	0.3
180.04292	0.3
195.06694	0.5
242.08833	0.3
257.08365	0.3
313.86191	0.3
360.21817	0.3
441.00226	0.2
509.26151	0.6
517.46124	0.3
521.20264	2.5
523.28168	0.3
569.22058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22656	7.7
59.01377	30.8
61.98841	100.0
66.94141	9.4
69.23655	12.8
69.24062	35.8
71.01388	33.6
85.02929	11.1
87.04522	43.9
101.02449	21.0
122.81689	8.0
127.44929	9.2
135.04547	9.1
149.02426	17.0
253.18050	11.2
365.49338	9.3
477.18820	11.4
507.20157	27.6
509.26047	13.5
533.29767	64.9
569.27112	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24220	1.3
61.98835	2.4
70.85637	2.3
80.51727	1.3
104.38876	1.2
123.04527	1.6
127.11295	4.1
137.09729	2.7
138.09711	1.2
139.11317	3.0
151.03998	3.0
155.10809	7.7
157.12366	6.9
179.10783	1.6
184.83459	1.3
187.13412	5.0
195.06642	2.4
216.13637	3.5
327.25400	9.0
371.24396	100.0
372.24927	3.6
392.41235	1.4
473.16702	1.6
569.19696	2.3
569.27399	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	569.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
55.44727	0.8
57.03447	2.1
59.01384	33.7
61.98836	26.3
69.03446	1.6
69.17606	3.1
69.18005	1.8
71.01387	28.1
72.50410	0.9
72.99310	1.1
73.02946	7.1
80.96510	1.2
83.01385	4.5
84.91106	1.0
85.02955	10.0
87.00874	2.5
87.04523	100.0
89.02454	14.7
95.01316	0.9
97.02934	2.3
99.00888	1.9
99.04451	1.1
101.02449	19.7
105.54336	1.0
111.00886	4.5
113.02455	8.8
115.03992	1.2
125.02460	4.1
131.03516	9.0
135.04568	2.2
143.03516	1.7
149.04558	4.0
161.04599	2.7
179.03542	1.3
189.46082	1.0
215.05821	1.3
233.06693	2.0
237.26814	1.0
250.28484	1.0
265.34808	1.0
371.24252	1.3
377.21863	4.6
388.98508	1.2
408.53244	1.2
414.07730	1.2
421.20773	13.5
439.22006	1.6
509.26022	63.6
510.26202	1.9
533.29755	4.1
569.30280	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	569.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41953	1.6
55.01876	4.4
57.03456	3.1
59.01386	63.8
61.98836	19.5
69.03465	2.5
70.73679	1.9
71.01389	37.9
72.99303	2.2
73.02962	23.1
83.01401	15.3
85.02965	20.1
87.00909	4.0
89.02480	7.3
94.01867	1.5
95.01374	2.3
96.96010	2.1
97.02947	2.2
99.00902	5.6
101.02454	42.7
112.98785	2.0
113.02463	15.1
119.03494	1.9
125.02522	2.0
129.01974	2.3
131.03601	2.4
133.02971	2.0
135.04543	3.5
137.02531	2.1
143.03534	2.7
159.03040	2.3
161.04575	7.6
163.06161	2.4
179.03529	3.0
231.96579	1.6
243.61508	1.8
246.56070	1.8
310.08960	1.7
363.23911	77.5
364.24326	2.5
371.24625	1.8
509.29718	100.0
510.29874	4.6
569.29871	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	569.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08780	1.6
55.01878	5.0
55.14785	1.9
57.03439	4.8
59.01386	68.3
61.98833	27.6
62.00298	1.7
71.01015	3.2
71.01387	33.0
71.44128	2.6
72.99289	4.2
73.02954	21.8
74.02470	2.1
83.01392	17.5
85.02962	27.0
87.00893	5.4
89.02442	7.8
95.01391	4.1
97.02973	3.1
99.00903	8.4
101.02454	54.1
113.02451	18.8
119.03513	2.7
125.02383	3.0
134.02490	2.0
135.04514	6.5
159.03043	3.7
161.02452	2.3
161.04561	8.8
163.06178	2.7
179.03468	4.4
191.05600	1.9
250.95969	2.4
363.23895	91.3
364.24182	4.3
371.24374	5.3
509.29727	100.0
510.30267	4.3
537.36255	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	570.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37425	1.6
59.01385	6.4
61.98840	46.8
63.12962	1.6
71.01392	2.5
88.98841	1.6
101.02563	1.6
109.02957	1.6
125.02391	1.9
133.02988	1.8
134.03755	42.1
135.04488	2.3
136.22986	1.6
137.02451	4.4
139.04016	3.4
139.98674	1.7
149.06093	13.8
150.03209	1.9
151.04060	3.2
178.02747	28.0
193.05074	100.0
194.05449	2.9
207.06601	2.0
227.54019	2.0
238.02507	1.8
245.08366	1.9
246.24600	1.6
249.20732	1.5
269.04715	1.9
281.83362	1.7
283.87366	1.6
345.13550	2.7
371.24408	4.7
372.24850	4.2
500.70233	2.0
552.20465	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	570.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82903	0.2
59.01387	0.9
59.54045	0.2
61.98835	100.0
71.01399	0.5
71.43890	0.3
73.02962	0.3
74.02450	0.2
89.02509	0.3
101.02454	0.5
113.02487	0.4
122.51303	0.3
150.03229	0.7
151.03587	0.3
163.04060	0.3
165.01944	0.7
165.05656	0.5
169.47664	0.3
179.03569	0.5
180.04315	0.5
195.06673	0.8
196.07019	0.4
218.35707	0.3
301.42465	0.3
343.14084	0.4
360.15601	0.3
459.38568	0.3
521.20721	0.3
522.20844	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	570.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
61.98836	100.0
65.73723	0.2
69.38026	1.1
70.00127	0.2
71.01405	0.9
73.02964	0.3
85.02959	0.3
89.02467	0.5
96.96021	0.2
97.23306	0.2
101.02477	0.4
113.02499	0.2
116.92887	0.2
120.99669	3.3
121.99989	0.3
135.04585	0.6
138.42775	0.2
150.03198	0.4
161.04680	0.3
164.04800	0.2
165.05617	0.5
191.05612	0.4
195.06534	0.3
204.04550	0.3
227.61356	0.2
231.37828	0.2
249.19707	0.3
274.86853	0.2
357.13205	0.3
364.17258	0.3
411.46478	0.3
438.20593	0.6
469.18970	0.3
510.28976	0.3
527.11658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97472	0.6
55.53741	0.6
59.01384	1.1
61.34033	0.6
61.98836	100.0
69.26839	3.0
69.27258	1.2
98.22665	1.2
104.06976	0.7
144.71933	0.6
155.89894	0.6
272.08902	1.0
387.52258	0.7
390.23749	0.8
534.30603	0.9
570.26147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53690	0.4
54.05433	0.5
61.98835	100.0
70.88018	1.0
74.92764	0.5
126.73883	0.5
145.78802	0.5
195.45848	0.5
214.32729	0.5
222.68268	0.5
241.21996	0.5
348.98804	0.5
469.90982	0.6
487.69226	0.6
516.16797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78260	2.6
61.98837	100.0
69.23617	5.9
69.24028	9.5
78.95879	2.7
82.43429	2.8
84.59422	2.6
132.45738	2.7
160.57301	2.9
205.12587	2.6
279.05493	2.7
291.19788	4.2
297.45395	2.9
312.08774	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	571.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98837	5.0
63.30850	1.2
67.14118	1.3
69.07556	8.6
71.01373	1.7
93.03446	4.4
96.96008	1.8
98.22628	2.5
107.53252	1.5
108.02177	1.5
109.02943	2.0
119.20669	1.5
121.02988	7.7
122.03758	14.7
123.04527	5.6
132.02173	1.5
133.02975	2.1
134.03726	3.2
135.04552	3.5
136.01649	2.0
137.02423	2.8
145.02931	3.2
146.03755	68.2
147.04488	5.7
149.02461	45.6
150.03238	92.0
151.03888	1.6
161.02565	1.6
161.06104	19.2
162.03206	3.9
163.04015	3.1
164.04807	63.6
165.05577	91.3
175.03970	5.7
177.05582	2.9
179.07153	100.0
180.04277	6.0
180.07414	1.8
195.06642	71.9
206.49036	1.3
255.06116	1.5
267.06665	3.1
269.08182	2.2
270.08954	2.6
295.05933	1.5
297.07416	1.6
298.08533	1.7
312.09958	6.0
312.24188	1.6
313.10654	6.4
327.12396	24.5
328.09445	2.1
329.09970	1.6
343.11868	51.6
344.12219	2.6
347.14755	1.4
373.12671	1.7
391.13785	4.9
516.85767	1.3
523.19775	20.8
524.20691	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	571.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	27.9
61.02311	1.5
69.03465	28.7
70.02985	12.6
71.01382	13.5
71.05020	16.9
71.41824	1.8
85.02954	2.7
87.00897	1.9
87.05637	6.2
89.02461	18.2
89.36428	1.5
96.96016	4.2
97.50388	1.6
99.04535	4.3
101.02474	8.6
113.02460	100.0
116.07167	2.9
119.03510	8.8
129.05611	2.0
130.03349	9.0
143.03513	2.2
145.02983	1.7
146.08243	87.5
147.06017	3.9
147.08553	1.7
150.03232	4.4
161.04474	3.0
165.05568	3.5
179.05577	5.4
213.96021	1.6
217.11945	17.5
266.67331	1.6
277.12286	77.3
293.05444	2.8
293.08810	58.9
488.01028	2.3
551.82355	2.1
571.21875	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01084	1.2
59.01384	20.4
61.58759	1.0
61.98844	8.7
69.34230	6.5
71.01384	17.4
72.99319	2.2
73.02933	5.1
79.95740	1.4
83.01352	1.1
85.02955	1.4
89.02457	23.9
96.96016	5.4
99.00896	10.2
99.08176	15.9
101.02448	8.5
108.02175	1.4
109.02955	1.4
113.02473	2.9
117.67457	1.3
119.03492	1.6
121.02977	2.3
122.00779	1.8
123.04523	1.7
125.02430	4.1
131.03497	3.3
134.03741	1.3
137.02454	3.4
145.08723	30.2
149.02469	1.4
149.04601	7.5
150.03223	2.0
161.02512	2.2
165.01909	1.6
165.05528	1.7
175.04094	1.9
177.02014	1.8
179.03482	2.2
187.04129	1.5
191.05586	2.4
193.05252	2.4
193.07191	7.9
229.08835	1.3
240.04237	1.6
243.06451	1.6
255.02933	1.9
255.06650	3.0
270.09158	1.8
301.10858	1.7
307.13873	1.5
323.09833	8.9
329.10074	1.7
365.12292	1.4
503.17139	1.6
571.22528	100.0
572.22870	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	571.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.80724	0.7
61.98832	100.0
67.86912	0.7
70.21006	0.6
70.89593	1.2
71.01396	1.1
73.52389	0.6
81.25806	0.7
238.84384	0.7
316.08139	0.7
510.10422	0.7
575.54578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70409	2.5
53.94695	3.0
59.01381	7.1
68.16431	2.9
69.08369	14.5
69.08781	5.9
73.84305	2.4
78.95905	70.0
90.03039	2.6
93.00987	2.4
96.96953	13.3
98.22691	5.6
103.01472	5.1
103.73373	2.6
152.98373	4.2
152.99596	66.4
223.00044	3.1
241.01205	25.5
255.23294	63.8
277.21646	5.7
315.04871	11.2
391.22617	4.0
445.39856	2.7
571.28851	100.0
571.37689	6.0
572.28961	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	571.2891
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
61.98829	5.2
69.29015	8.0
78.95911	73.7
89.72748	1.2
92.92811	6.9
96.96027	2.4
96.96968	14.6
98.21882	2.7
107.19385	1.4
152.99603	68.6
191.16689	1.2
210.95467	2.8
212.38873	1.5
223.00214	1.4
228.54024	1.3
241.01225	33.3
255.23317	76.7
256.23721	1.7
315.04971	13.2
391.13412	1.3
391.22656	9.3
436.18323	1.3
571.28949	100.0
572.29004	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	571.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89830	3.9
53.41940	3.5
67.87561	4.7
78.95907	86.2
96.96980	16.9
150.11574	3.8
152.99593	75.8
221.79453	4.3
241.01181	38.2
246.05673	4.5
255.23306	81.7
284.40375	4.4
315.04913	10.5
391.22913	8.4
544.67566	4.7
571.29016	100.0
572.29010	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	571.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.3
59.01389	17.1
61.98833	15.5
67.18503	1.9
69.23010	4.8
69.23397	6.2
71.01377	9.1
71.05013	2.2
71.57416	2.0
73.02937	3.7
81.03494	2.2
84.47390	2.0
87.04523	6.4
88.98853	2.9
95.01417	2.7
96.96017	16.8
99.04581	2.3
101.02464	3.3
105.01955	9.3
113.02456	2.1
116.92902	2.3
122.08157	2.2
123.00921	2.5
123.04539	3.4
127.11330	2.5
134.03728	5.2
135.04509	5.7
137.02429	3.0
139.11296	7.9
146.03740	2.3
149.06137	2.4
150.03233	3.6
151.04036	2.6
152.01117	2.2
153.05681	2.3
155.10744	4.2
157.12357	9.0
160.04073	4.1
161.02464	4.7
163.04004	2.5
165.01950	3.5
169.12294	3.5
177.02016	3.5
178.02800	2.3
179.03511	5.7
179.07224	3.0
179.22415	2.2
181.05080	3.4
187.13383	3.0
191.03520	3.3
201.09151	2.7
203.10741	4.0
229.08722	20.5
247.09814	6.3
261.21158	2.1
265.26538	2.1
269.04645	3.7
301.03149	2.1
305.48566	2.0
327.25439	3.4
329.26944	9.3
371.24414	44.8
372.24545	5.3
373.25940	100.0
374.26190	4.3
377.63232	2.2
391.14050	5.2
409.14966	12.0
474.91193	2.1
571.29590	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	571.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80374	0.5
57.03448	2.1
59.01385	41.6
61.98844	4.3
69.25206	2.6
71.01385	1.1
73.02937	0.8
78.91911	1.0
80.99419	0.5
89.02473	0.6
97.06602	2.0
101.02465	0.9
111.08167	0.7
113.02438	0.8
113.09766	0.9
121.02975	1.0
123.08178	4.5
127.11316	1.6
133.03009	1.2
135.04506	1.3
137.02469	0.6
137.09775	0.8
141.09238	1.4
146.51564	0.6
149.02444	0.6
150.03197	1.3
152.08446	0.8
161.02455	2.4
165.05582	1.5
171.13844	3.2
177.01883	1.5
179.03519	1.1
185.59911	0.5
191.03563	0.6
195.06700	0.8
237.07933	0.7
251.20432	0.6
269.04587	4.0
270.05035	0.7
277.21735	7.3
295.22687	2.9
313.23978	0.9
329.14026	1.0
345.09937	0.9
357.10129	0.8
371.24600	3.1
372.24698	0.6
373.25967	100.0
374.26212	4.4
409.15262	1.1
433.82822	0.6
512.33173	0.6
540.60004	0.6
571.21301	1.3
571.29456	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
59.01382	42.1
59.66298	1.2
61.98823	4.7
69.30508	7.7
85.06601	1.5
85.88454	1.3
97.06551	1.8
123.08215	3.1
131.05917	1.2
171.13875	4.0
177.01892	2.0
179.03278	1.7
190.02621	1.5
191.53250	1.5
205.15915	2.1
269.04495	5.8
277.21753	9.7
295.22806	4.0
373.25934	100.0
374.26459	4.3
432.83777	1.4
441.04614	1.2
514.76953	1.5
571.29694	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	571.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60107	0.6
52.84069	0.7
55.87243	0.6
58.18678	0.6
59.01386	41.8
61.98840	6.6
71.01377	0.8
78.95963	0.7
89.02479	0.7
97.06635	1.6
106.30513	0.6
108.02227	0.7
109.02943	0.7
116.48341	0.6
123.08180	7.3
133.02954	1.1
135.04544	2.0
141.09196	1.3
141.12880	2.0
152.08490	0.9
153.88995	0.6
161.02478	0.9
171.13962	2.5
177.01959	1.2
269.04541	4.3
270.05035	0.7
277.21777	7.4
278.37708	0.6
295.22714	3.6
313.23990	1.5
373.25970	100.0
374.26306	2.9
415.65204	0.7
571.29657	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	571.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.3
67.40311	2.3
69.64512	1.8
71.01376	4.2
71.44089	2.0
84.35705	1.8
89.02446	4.1
96.96045	4.9
101.02443	5.1
101.27268	1.9
153.97699	1.8
161.04454	2.5
192.37720	1.9
203.81622	2.1
231.21161	2.9
253.09300	17.5
275.20178	100.0
276.20544	5.4
559.58167	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	572.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91199	0.6
54.55457	0.6
59.01384	21.1
61.98814	0.8
69.03493	0.9
69.52332	2.7
71.01388	13.9
72.00915	14.3
84.70122	0.6
85.02947	1.9
89.02459	23.2
89.03024	1.1
91.05537	1.3
93.76974	0.5
95.01391	0.7
96.96016	3.0
96.96981	0.8
98.21885	1.2
101.02451	7.4
103.05547	1.5
113.02475	7.0
119.03516	9.5
131.03511	0.8
143.03543	4.0
147.04544	42.9
148.04790	0.8
149.04576	0.8
161.04587	4.7
164.07185	100.0
165.07538	1.8
179.05632	24.2
293.08823	5.0
294.09131	0.9
459.27533	0.7
572.18292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20100	0.4
59.01387	1.1
61.98835	100.0
71.01393	0.7
71.44170	0.5
73.74969	0.5
74.02503	0.6
87.00860	0.5
89.02446	0.6
112.45266	0.5
118.45364	0.5
147.79341	0.4
161.06876	0.4
167.14612	0.4
181.07713	0.4
210.87059	0.5
588.58350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33274	0.5
55.09731	0.4
59.01368	0.9
61.56831	0.5
61.98836	100.0
66.34884	0.5
69.07370	0.4
70.03571	1.2
70.03931	1.1
73.39317	0.5
90.98589	0.5
147.04486	0.5
342.31781	0.5
501.17923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60241	3.2
53.49750	3.3
57.03460	3.3
59.01383	37.4
61.35944	3.2
61.98819	17.1
68.42132	3.4
71.01389	19.1
80.91671	6.9
82.95422	4.6
85.02928	4.3
89.02459	22.5
97.02941	8.9
97.54237	3.4
99.00854	4.3
101.02448	7.0
108.02169	16.3
109.02952	10.6
113.02441	5.3
125.02470	18.9
132.83093	4.2
135.04477	5.9
149.04608	5.2
152.01157	15.4
153.01907	11.7
191.05559	5.4
202.40724	3.7
233.06645	13.6
253.05305	4.9
269.04507	13.4
293.08777	19.8
329.13889	16.8
373.25793	5.6
406.05145	3.9
407.93506	3.6
425.96997	3.9
429.10425	100.0
447.11224	5.8
491.19339	7.6
573.14319	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	573.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17689	1.3
59.01374	7.7
61.98828	3.4
69.21752	7.8
71.01384	6.4
74.40047	1.4
85.02950	2.2
89.02459	6.4
93.03460	5.5
95.45306	1.6
98.21890	3.2
99.74950	1.3
101.02431	4.5
103.69834	1.5
112.01652	1.5
113.02460	4.9
116.92860	2.1
119.03535	2.4
121.02972	28.0
122.03776	14.7
123.04567	2.4
131.03482	2.2
133.03018	2.6
134.03795	2.2
135.04503	4.3
136.01627	2.0
148.01625	2.3
149.02463	97.2
150.03241	100.0
151.03818	5.4
161.04608	2.0
163.06154	2.9
164.04807	29.3
165.05583	92.5
166.06366	88.4
167.07076	6.5
175.04024	7.6
179.03444	3.0
179.05612	5.1
179.07062	1.8
180.04279	6.0
181.08734	50.6
191.05582	3.4
195.06648	50.5
196.06929	2.0
236.65704	1.4
239.07095	1.4
241.05220	1.9
253.05017	1.7
266.05801	1.7
267.06653	5.5
269.08212	3.9
270.08997	3.4
275.07742	28.1
283.06168	2.0
285.07642	5.8
285.10791	1.9
298.08487	2.8
299.09268	4.3
313.10803	10.7
314.11682	10.6
315.12271	1.9
328.09509	3.5
329.10272	9.0
329.13882	42.2
330.14273	2.3
343.11884	78.4
373.12836	1.7
377.16275	2.6
391.13910	4.2
487.37167	1.4
525.21356	78.1
526.21625	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	573.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
64.42616	11.9
69.18755	87.5
71.01384	63.6
84.17339	13.4
85.06598	73.5
87.00851	13.1
89.02445	60.6
94.62451	13.7
101.02451	51.1
113.02466	23.4
115.04016	22.0
119.03528	22.0
125.02438	12.3
126.78982	11.9
133.02969	30.5
135.04584	30.3
169.77061	11.8
179.05624	36.2
189.07748	20.8
231.89613	14.3
297.11383	33.2
375.14572	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25172	14.5
50.87350	11.8
55.28360	13.0
59.01395	72.8
59.27651	13.1
60.99282	11.1
69.99888	23.7
71.01387	34.0
85.06603	50.3
88.98815	16.1
89.02468	40.8
96.96024	38.3
98.21901	18.1
101.02462	29.2
105.01978	24.1
113.02468	23.5
133.02968	57.6
135.04524	50.1
148.01494	13.3
148.22226	14.7
160.04013	14.3
165.04105	14.3
171.04620	15.5
172.05344	29.3
177.01923	30.1
179.03511	39.0
179.05669	35.2
189.07573	16.0
191.05695	18.5
226.15530	18.9
277.08630	22.9
293.11914	100.0
337.10696	25.0
412.13388	17.0
529.24884	33.9
537.25372	17.1
573.13031	73.8
573.20679	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57713	0.5
57.84995	0.5
59.01384	34.2
59.75393	0.5
59.76752	0.5
61.98842	3.0
63.83576	0.5
64.98872	0.5
65.69690	0.5
69.34322	2.4
71.01368	1.1
79.10004	0.5
85.02953	0.5
96.96031	1.3
101.02433	1.0
108.02151	1.0
109.02934	1.1
113.02402	0.7
121.02991	0.9
134.03755	1.6
135.04550	1.4
137.02464	0.8
139.04031	4.4
146.03751	38.2
147.04541	0.7
150.03194	1.0
153.01741	0.6
155.10849	0.6
161.02467	1.2
161.06087	12.1
163.03986	1.4
164.04802	24.3
165.05537	0.7
177.02016	0.9
179.07150	100.0
180.07468	1.5
239.10493	0.6
269.04730	0.9
285.04172	1.1
344.98547	0.6
373.26031	1.2
375.27359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.0
60.01713	1.4
61.98835	7.1
71.01383	7.0
71.41476	0.9
73.02942	2.2
78.95941	1.1
85.02961	1.3
87.00908	1.7
89.02441	5.6
93.03454	5.0
96.95995	1.4
97.43327	1.0
98.34339	1.0
101.02436	5.5
103.03997	1.5
108.02163	1.4
113.02450	2.3
116.92907	1.4
119.03532	2.4
121.02963	16.4
122.03767	15.7
123.04527	2.5
125.02467	3.0
133.02934	3.1
135.04521	2.9
136.01677	2.9
137.02496	1.1
147.04527	1.6
149.02463	49.7
150.03242	98.2
151.03821	2.5
159.04556	1.4
161.02469	1.3
161.04604	1.8
163.06128	2.8
164.04787	12.7
165.05585	100.0
166.06366	34.1
167.07120	3.9
172.05354	1.7
174.01678	1.0
175.04013	2.9
175.07683	1.5
179.03540	3.0
179.05678	1.3
180.04303	6.2
181.08720	21.8
187.07663	5.4
191.05615	1.7
195.06639	62.6
196.06950	1.3
201.11308	2.5
201.44470	1.2
205.06854	1.8
205.08717	25.8
267.06583	1.9
269.08191	2.1
270.09253	1.6
285.07730	1.7
298.08289	1.8
299.09161	1.1
307.10379	3.7
313.10782	3.0
314.11594	8.5
329.10379	3.4
329.13950	35.3
330.14255	1.9
343.11911	29.9
344.12137	1.2
345.22696	1.8
377.15921	2.9
391.14087	2.1
469.50137	1.2
525.21307	24.9
526.21649	1.6
528.01080	1.1
537.32843	1.8
573.27271	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	573.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70695	39.4
57.93713	40.1
59.01354	50.4
70.44157	37.9
70.92080	51.5
71.09889	38.9
78.66309	39.3
78.95904	51.0
116.92805	100.0
121.13893	38.5
133.67236	44.7
153.19946	45.4
153.75230	41.7
174.05818	43.4
182.55418	50.3
192.77103	42.3
209.31610	38.2
244.00261	52.6
279.23386	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	574.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21301	0.6
61.98835	100.0
70.66817	0.9
70.67162	0.8
78.95913	1.4
106.32407	0.6
115.92103	0.6
196.89594	0.9
215.11432	0.7
310.91177	0.7
594.39856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1199
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
57.03450	2.3
59.01374	4.1
60.20204	1.3
61.98821	1.3
65.65347	0.9
71.01390	2.1
74.11727	1.1
79.77283	0.9
81.03457	1.6
83.01388	2.9
85.02965	1.8
89.02435	1.1
93.03468	1.3
95.05035	1.3
97.02943	1.2
98.22643	2.2
99.04498	1.3
101.02448	1.7
101.87601	1.1
109.02945	4.0
113.02479	1.8
116.74451	1.1
121.02971	1.6
122.03748	9.8
123.04526	4.3
125.02451	18.0
133.02945	1.6
135.04485	1.6
137.02469	18.9
145.02998	1.1
145.78171	1.0
147.04552	1.3
149.02441	3.7
151.04057	2.6
151.31297	1.3
153.01993	1.3
159.04546	2.9
161.02486	13.4
161.06125	1.1
162.03233	2.2
163.00345	1.6
163.03990	3.6
164.01181	3.0
165.01909	7.2
167.03513	4.1
173.02470	1.4
174.03204	1.2
175.04045	7.7
177.01979	2.2
179.05609	1.1
185.06026	1.4
187.04034	4.7
188.04796	1.6
189.05574	2.7
191.03499	2.4
199.03990	8.6
200.04639	1.5
201.01988	3.7
201.05640	3.4
203.03481	3.2
205.05029	2.1
211.03960	2.2
213.05573	3.7
214.02698	2.3
215.03517	6.8
217.04982	2.2
225.05525	1.7
227.03510	5.5
228.04338	1.8
229.01488	3.7
229.05061	13.2
230.02235	1.7
231.02991	4.2
239.03560	1.4
239.97800	1.1
241.05138	3.4
242.02258	8.0
243.02992	35.8
243.06598	1.6
244.03722	5.8
245.04543	5.3
247.06136	2.7
255.03004	4.8
256.03705	2.5
256.59506	1.5
257.04593	6.1
268.03937	2.6
269.04562	4.7
270.01740	3.2
270.05096	1.4
271.02502	48.4
272.03137	2.3
273.03992	3.6
275.05652	3.1
281.04767	1.5
283.02451	3.2
283.06018	1.7
285.04111	5.2
286.04700	1.5
287.05603	13.4
297.03918	2.0
310.81512	1.1
327.05167	1.3
379.07886	1.4
391.08286	2.0
393.09702	4.1
394.06931	36.8
395.07605	3.2
407.07642	10.4
413.08719	4.2
413.22150	1.2
423.07269	2.7
431.08505	1.8
437.08743	8.8
449.08792	18.5
453.08447	1.4
513.11951	1.5
557.11078	2.2
575.11987	100.0
576.12219	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	575.1405
Annotation	Chamaemeloside
Peak:m/z	Relative Intensity
55.25428	0.4
57.03452	9.3
59.01382	3.0
61.20836	0.4
61.98831	3.4
63.02393	1.6
65.00330	0.6
69.16273	3.1
71.01375	0.9
73.02953	0.5
79.65679	0.4
85.02958	0.5
89.02433	0.7
90.25120	0.4
92.73491	0.4
96.96030	0.5
99.04537	3.3
101.02441	1.8
107.01380	1.9
109.12444	0.4
113.02468	0.6
117.03453	2.9
122.08237	0.4
125.02440	3.0
133.02890	0.5
134.03720	0.6
135.04562	0.5
149.02454	1.6
151.00383	1.3
159.04514	1.5
161.02444	1.5
165.01848	0.6
177.01913	0.8
183.04622	0.5
197.06062	0.8
199.03964	0.6
200.04799	0.5
201.05553	0.6
202.99335	0.5
216.37256	0.4
225.05652	1.2
226.84067	0.4
227.03488	0.8
239.03522	0.5
240.04305	1.0
253.04794	0.8
268.03766	41.3
269.04541	100.0
270.04840	3.1
283.06152	0.7
305.08817	0.7
311.05554	2.4
343.12622	0.5
406.50742	0.5
431.09827	33.0
432.10144	1.5
473.10898	37.6
474.11121	1.7
513.14069	11.2
514.13776	0.5
575.14691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
65.03957	0.7
65.29299	0.4
69.03466	0.9
69.65774	1.6
71.01383	5.0
73.02960	0.6
83.01363	0.6
83.05041	0.5
85.02950	2.0
87.00887	1.0
88.98812	1.2
89.02454	5.0
93.03468	94.9
94.03802	0.9
96.96044	0.6
98.22700	0.4
99.00896	0.5
101.02448	2.9
111.04533	1.1
112.01696	1.4
113.02470	6.1
116.92905	2.1
117.92902	1.1
119.03514	1.4
121.02946	0.5
127.04048	0.5
131.03522	2.1
135.04607	0.5
135.48059	0.5
137.02460	100.0
138.02794	0.9
143.03566	0.7
161.04555	3.2
173.04593	0.7
177.01955	1.7
179.05658	4.1
215.09296	0.8
215.15070	0.4
226.38680	0.5
228.05962	0.4
252.91556	0.5
275.07755	21.6
293.08774	4.9
299.07870	2.3
317.08777	1.7
437.12985	1.6
485.13101	1.1
520.42310	0.5
575.16425	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	575.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65552	0.6
56.66439	0.9
59.01388	16.1
68.62519	0.7
69.03456	3.8
69.75692	0.7
71.01392	9.4
73.02946	1.3
74.86875	0.6
83.05059	0.9
85.02962	2.9
87.00880	4.8
87.04567	0.8
89.02460	11.2
92.02663	1.6
93.03472	31.7
95.01402	1.0
101.02464	7.3
105.01958	0.9
113.02465	12.3
119.03509	4.8
131.03525	4.5
133.05080	1.7
133.06544	0.7
135.04544	4.8
136.01694	6.0
137.02463	59.3
151.04041	3.5
165.04089	2.1
179.03516	27.9
191.05679	0.9
209.04555	3.3
239.05644	15.7
240.05865	0.8
275.07779	4.3
293.08829	28.5
294.09164	1.1
299.07724	2.1
413.10934	100.0
414.11273	6.0
437.10864	2.5
575.16248	15.6
576.16602	1.5
590.91669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29071	13.5
52.91607	13.5
59.01371	46.4
61.98844	17.9
69.10244	100.0
71.01393	18.6
71.22057	14.6
85.06590	47.0
88.75732	14.1
90.81588	14.0
96.92567	14.0
98.21886	29.1
101.02448	13.5
101.51266	14.0
129.05486	17.4
135.04509	15.5
149.02478	41.0
165.05582	29.7
175.03946	29.0
191.05547	30.7
215.50903	14.9
329.14041	67.8
337.22253	18.5
379.67160	15.4
417.71805	18.8
444.16354	15.9
590.22870	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	575.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22826	2.8
59.01377	14.7
61.98839	4.0
71.01369	9.0
71.47034	2.9
73.02944	4.3
85.02940	4.1
89.02449	7.6
101.02430	8.9
112.70792	3.0
122.03746	3.6
124.68183	3.2
149.02461	9.9
150.03246	43.6
165.05579	50.7
166.06261	3.5
172.13406	3.0
180.04211	3.7
195.06673	37.4
329.13721	5.7
343.13992	13.2
491.19275	100.0
492.19174	11.0
539.21356	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	55.3
59.24828	18.5
60.02323	22.7
61.98831	30.9
62.46542	18.9
66.59626	17.8
67.79552	18.2
68.88729	20.7
70.15299	22.3
70.77790	31.8
71.01410	31.4
82.95413	100.0
88.98846	49.1
89.02486	28.4
93.03451	25.0
113.02460	42.4
149.02446	30.7
150.03261	32.6
165.05620	49.6
177.84431	19.9
191.05534	26.6
195.06636	46.3
232.13417	19.8
248.86281	23.8
300.15799	19.4
304.61655	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.00587	1.6
59.01385	100.0
61.98825	8.1
69.03457	1.3
69.18760	1.9
69.19161	6.0
71.01388	22.7
72.99309	3.6
73.02956	38.7
81.03494	1.2
83.01377	2.4
85.02964	13.5
87.00880	9.7
87.04517	3.3
88.98753	1.1
89.01939	2.2
89.02455	26.2
98.21895	2.6
99.04498	1.4
101.02456	54.5
103.04021	27.3
110.52844	1.1
113.02435	3.1
115.04012	8.7
115.36561	1.1
116.92880	1.6
119.03532	13.6
125.02441	2.9
127.04016	2.2
131.03516	8.3
137.09747	2.0
143.03519	8.9
145.05084	8.6
161.04529	1.7
163.06145	90.7
170.26720	1.1
179.10892	1.5
191.05606	4.3
205.07205	19.7
205.09036	2.1
221.06670	1.8
222.04190	1.0
235.08250	1.2
262.53482	1.3
265.09311	6.5
443.22781	1.7
444.15024	1.5
444.25989	1.5
539.34436	1.9
547.65552	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	575.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.6
58.00592	2.9
59.01384	100.0
61.98822	4.7
66.80497	1.2
70.26453	2.1
71.01023	2.2
71.01388	29.1
72.99301	5.2
73.02952	38.8
74.02460	1.4
83.01402	1.3
85.02958	13.5
87.00892	9.4
87.04516	2.2
89.02453	33.2
90.92152	1.2
91.67446	1.3
93.03456	1.8
96.96008	4.0
98.22025	1.7
101.02458	57.3
103.04025	20.8
109.02914	1.9
113.02467	8.4
115.04018	9.1
119.03533	13.4
127.04011	2.8
131.03540	7.4
135.04526	2.5
138.23506	1.4
143.03506	8.7
143.16707	1.4
145.05061	6.0
150.03206	1.3
161.02425	1.8
161.04555	3.6
163.06145	71.5
179.05661	3.0
179.10828	3.2
191.05634	9.0
195.06712	1.8
199.09749	1.6
205.07184	17.3
229.01389	2.6
240.08946	1.8
255.11394	39.2
256.11938	1.6
265.09293	3.1
275.07788	6.5
281.04526	3.6
296.06848	3.9
300.05026	1.3
383.07764	16.7
443.23749	8.3
531.19836	3.5
539.34399	3.8
575.19562	1.8
575.31329	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	575.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60263	1.0
51.72685	1.0
59.01389	13.7
61.98832	1.7
62.60092	1.1
70.98729	1.2
71.01397	3.0
76.95342	1.0
78.25879	1.0
78.95911	6.4
79.62892	1.0
85.44916	1.0
89.02447	1.8
92.12062	1.0
98.82344	1.1
101.02466	3.3
104.14486	1.2
119.94730	1.4
152.99583	2.6
161.04709	1.2
235.08276	1.9
240.19966	1.0
253.09317	15.9
260.23917	1.3
273.49380	1.3
279.23322	100.0
280.23679	2.7
402.06049	1.2
558.66199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79511	0.8
59.01379	1.8
61.98834	100.0
71.01385	1.0
88.49059	0.8
113.02386	0.8
119.03485	0.9
125.02404	1.3
133.02913	0.8
134.03743	2.0
135.04543	15.0
148.01706	0.9
151.04044	2.1
160.04051	2.0
161.02481	1.6
177.01952	1.2
179.03506	21.0
193.05145	4.1
206.27339	0.8
213.23175	0.9
245.08409	1.3
247.19475	0.8
269.04532	5.1
295.42215	0.8
302.14706	1.3
355.09961	1.0
383.10074	1.2
434.29544	1.0
513.15747	2.7
529.27576	1.0
577.13129	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	576.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74631	0.4
59.01379	0.4
61.98835	100.0
64.93945	0.5
71.42698	0.5
75.42158	0.4
78.95931	0.8
116.04963	0.5
167.89427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89785	0.5
61.98836	100.0
63.38691	0.5
64.92866	0.5
75.97698	0.5
78.95966	0.5
86.29121	0.5
246.82953	0.5
299.10544	0.6
313.54123	0.6
344.59253	0.6
577.27612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.74928	0.4
69.07568	2.9
80.96538	0.6
96.90266	0.4
215.28760	0.4
241.87170	0.4
319.88986	0.4
368.70502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25259	1.4
51.79105	1.3
59.01382	31.1
61.98815	2.9
64.74731	1.5
78.95911	29.3
88.51333	1.4
152.99615	4.3
168.04330	4.7
170.24797	1.3
215.71866	1.5
224.06964	13.1
242.08008	3.6
269.04733	2.4
277.21756	100.0
278.22028	3.5
502.29425	68.3
503.29703	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	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.3
71.01392	0.5
78.95911	6.7
142.39285	0.4
152.99594	1.6
168.04329	1.9
224.06964	1.4
242.08052	3.5
259.20990	0.4
275.20032	0.5
277.21738	100.0
278.22083	3.2
335.26428	0.4
502.29428	29.5
503.29941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.7
60.94175	0.7
64.75056	0.8
65.16795	0.7
69.09487	5.1
78.95907	25.2
98.21902	1.8
152.99635	3.6
168.04314	4.0
173.34435	0.8
191.48007	0.7
218.03682	0.7
222.39713	0.9
224.06920	10.4
233.09978	0.7
242.08005	2.2
242.79475	0.9
269.04468	2.0
277.21744	100.0
278.22073	2.7
324.82556	0.8
481.69791	0.8
502.29419	73.4
503.29706	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98816	1.3
63.02410	1.3
65.00339	0.5
65.69231	0.3
69.33199	0.8
69.33581	0.6
71.01382	0.8
73.02936	0.6
74.45760	0.3
80.38844	0.3
85.80817	0.3
87.00848	0.4
89.02461	0.7
89.33018	0.3
93.03459	0.8
100.20412	0.3
101.02440	0.5
105.03563	0.3
107.01420	1.0
107.02495	0.3
117.03483	8.1
119.03509	0.4
119.05010	1.3
121.02996	0.4
133.03017	0.4
135.04523	0.4
137.02458	0.9
145.02979	11.1
149.02408	0.8
151.00369	1.3
159.04512	1.0
161.02451	1.2
161.28229	0.3
163.04025	0.8
179.03531	0.4
181.06572	0.4
183.04491	0.7
194.49487	0.3
195.15877	0.3
197.06110	0.6
201.05704	0.6
225.05591	1.4
227.03566	0.5
253.71161	0.3
268.03726	2.3
269.04568	100.0
270.04926	3.5
307.08234	1.9
350.80563	0.3
429.62448	0.3
443.93237	0.4
495.11148	0.4
531.28394	0.6
577.13586	18.5
578.13873	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	577.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31529	0.1
58.44094	0.1
59.01389	1.4
59.78119	0.1
61.98828	1.4
63.02403	1.2
65.00315	0.8
70.94953	0.1
71.01381	0.7
73.02944	0.3
74.02483	0.2
75.00883	0.2
80.91728	0.2
82.95394	0.2
85.02965	0.3
87.00855	0.2
89.02443	0.6
93.03474	0.3
98.21904	0.5
101.02445	0.5
107.01415	1.3
113.02460	0.4
117.03477	8.9
119.05015	1.2
121.02912	0.3
125.02435	0.2
133.02992	0.2
135.04517	0.5
145.02965	12.7
146.03281	0.2
149.02457	0.9
151.00385	1.1
155.04976	0.2
157.03329	0.1
159.04561	1.3
160.03999	0.2
161.02446	1.0
161.04521	0.3
163.04028	0.5
169.06653	0.3
171.04582	0.2
175.07603	0.2
177.01942	0.2
179.03563	0.3
181.06514	0.4
183.04515	0.7
191.05629	0.3
194.46484	0.2
195.04623	0.2
196.05368	0.3
197.06093	0.6
201.05611	0.8
224.04807	0.2
225.05597	1.2
227.03537	0.7
243.36601	0.2
268.03769	2.2
269.04562	100.0
270.04919	2.6
307.08188	1.4
311.05762	0.3
431.09689	0.5
517.30713	0.2
531.27795	0.3
561.83826	0.2
577.13550	25.0
578.14026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18675	0.3
56.60774	0.3
59.01362	0.3
61.98827	1.1
62.02157	0.3
63.02399	1.3
65.00333	0.8
67.38658	0.3
71.01393	0.3
71.04850	0.3
71.59470	0.3
93.03442	0.5
107.01402	1.6
117.03469	24.2
119.05035	4.8
125.02420	0.4
130.66997	0.3
133.94312	0.3
138.82051	0.3
143.67091	0.3
145.02960	48.9
146.03267	1.0
147.44116	0.3
149.02440	1.8
151.00380	2.1
159.04494	1.0
160.64285	0.3
161.02441	0.8
163.04001	2.5
171.04520	0.3
178.24792	0.3
183.04459	1.0
197.06180	0.6
201.05565	0.8
224.04877	0.5
225.05495	1.5
227.03600	0.7
233.76797	0.3
268.03775	9.5
269.04547	100.0
270.04916	3.2
281.04517	0.4
307.08221	1.8
311.05661	0.4
411.25467	0.3
413.08871	6.5
431.09814	8.3
432.10007	0.4
577.13531	31.7
578.14282	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	577.1356
Annotation	Procyanidin B5
Peak:m/z	Relative Intensity
57.03458	12.5
60.57455	1.4
61.07094	1.2
61.10510	1.2
68.70348	1.1
69.34502	5.3
72.76389	1.3
75.54880	1.3
81.03447	2.8
83.01397	5.2
86.78974	1.1
93.03448	1.6
95.05009	2.3
97.02950	2.9
98.22633	2.5
107.05066	2.4
108.02158	1.4
109.02972	17.6
117.03436	1.7
121.02938	3.6
123.04543	15.4
125.02460	100.0
129.94743	1.3
131.04993	1.4
133.02939	3.5
135.04535	2.1
137.02449	19.4
139.04019	2.1
149.02457	5.0
151.04047	13.6
159.04526	3.3
161.02464	25.5
161.06100	3.7
162.03143	2.4
163.00545	1.4
163.04022	3.5
164.01180	2.9
165.01917	5.3
173.05994	2.3
175.04024	9.3
177.01920	5.8
179.03510	5.5
187.03999	6.5
188.04822	5.5
189.05583	1.6
201.05490	2.0
202.06348	1.5
203.07169	9.0
205.01370	4.2
205.05112	7.2
211.04059	2.0
212.04799	1.3
213.05750	1.6
215.03482	2.5
217.05087	2.0
221.08215	1.9
227.03566	3.1
227.07117	1.8
229.05089	2.8
231.03279	1.4
243.02930	2.8
245.04607	6.7
245.08179	12.6
255.03055	8.0
256.03717	6.6
269.04504	2.1
273.04013	3.3
281.04559	4.3
283.02579	1.6
285.04007	4.4
287.05591	11.0
289.07211	65.7
290.07382	1.8
297.04016	2.2
297.07556	1.3
299.05664	4.9
322.02710	1.2
331.08234	1.4
336.51495	1.3
339.08710	5.0
381.09741	2.2
407.07758	62.8
408.08237	2.4
425.08850	17.8
451.10272	9.9
459.80539	1.3
577.13367	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	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18348	1.5
54.93775	1.4
57.03448	16.0
64.64326	1.4
69.65282	3.3
80.00707	1.4
81.03477	3.1
83.01392	3.7
84.45932	1.6
93.03469	2.5
94.03596	1.5
95.05034	2.7
97.02966	5.2
99.26926	1.6
109.02950	20.6
121.02982	4.3
123.04504	11.8
125.02455	100.0
133.02933	4.2
135.04590	2.4
137.02463	20.4
139.04025	3.4
145.02957	1.7
149.02490	4.1
151.04053	11.1
152.97743	1.6
159.04518	2.9
161.02469	26.5
161.06088	4.7
162.03268	3.1
163.00230	1.9
163.04037	3.4
164.01140	3.7
165.01936	2.9
175.03984	9.6
175.07539	1.6
177.01949	5.0
178.02638	1.8
179.03473	4.7
185.06033	2.1
187.04045	7.5
193.05208	1.7
201.05550	2.4
202.06381	2.3
203.03468	1.7
203.07115	9.0
205.05009	7.3
215.03487	2.0
227.07117	3.2
229.05099	4.1
243.02911	3.5
245.04597	4.9
245.08189	15.6
255.02989	8.4
256.03726	5.1
259.89551	1.5
269.04492	2.6
273.04028	4.9
275.82776	1.7
281.04581	3.7
285.04053	3.2
287.05600	7.8
289.07193	76.4
290.07513	2.7
299.05728	7.2
329.06711	1.7
339.08694	4.7
381.09973	3.0
407.07767	64.8
408.08176	3.5
425.08716	16.7
451.10388	14.3
577.13605	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	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.2
69.12920	23.3
83.01404	6.9
86.83817	3.4
87.25775	3.3
93.03442	4.7
97.02968	6.9
109.02957	24.3
121.02968	5.6
123.04522	14.1
125.02457	100.0
135.04475	4.1
137.02461	26.4
139.04085	4.4
149.02469	8.0
150.03210	3.8
151.04022	33.5
159.04497	7.0
161.02460	27.5
162.03145	4.5
163.04005	6.9
164.01161	5.3
165.01944	10.2
174.03287	4.4
175.04033	12.1
177.01917	4.0
179.03442	4.5
187.03975	4.3
189.05563	10.5
191.03499	5.5
201.05623	7.7
202.06209	4.1
203.07043	8.0
205.05118	7.6
215.07010	4.5
217.04985	5.9
241.04872	3.8
243.06613	4.7
245.04503	4.6
245.08231	8.5
257.04459	4.9
259.06152	8.1
269.04584	11.0
287.05643	46.2
289.07202	62.3
299.05597	5.9
329.06540	7.1
407.07745	25.1
425.08856	15.1
439.10156	13.0
451.10565	6.7
533.14526	4.3
549.78625	4.0
577.13544	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	577.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.8
62.17883	1.3
69.30450	4.7
71.57176	1.0
81.03435	2.3
83.01391	5.3
95.05034	1.6
97.02945	3.5
109.02956	20.0
110.39436	1.2
117.03469	1.2
121.02974	3.1
123.04543	12.2
125.02458	100.0
126.02802	2.2
133.02972	5.1
135.04570	1.7
137.02461	17.9
139.04051	2.5
146.03732	2.2
147.04477	1.3
149.02435	4.9
150.03271	1.8
151.04024	11.3
159.04539	2.4
159.58655	1.0
161.02446	28.1
161.06061	4.7
162.03062	1.7
163.00348	1.5
163.03986	3.0
164.01155	4.4
165.01973	5.4
167.03555	1.4
175.04025	10.6
177.01910	6.9
177.05559	1.6
179.03505	5.2
183.04529	1.3
187.04071	5.7
188.04779	4.2
193.05048	1.4
201.05582	1.7
202.06386	1.9
203.03529	1.8
203.07120	11.2
205.01418	3.0
205.05042	8.6
213.05402	1.5
217.05147	2.2
221.08203	2.8
227.03458	1.8
227.07161	1.9
229.05132	3.6
243.02931	4.5
245.04559	4.8
245.08177	11.6
253.05016	1.3
255.02940	9.2
256.03793	6.2
257.04486	2.0
269.04599	1.5
273.04059	4.4
281.04553	3.9
285.04166	2.1
287.05615	8.7
289.07199	69.6
290.07547	2.5
297.04028	2.3
299.05438	6.4
339.08719	3.6
407.07742	59.3
408.08182	2.1
425.08795	21.0
426.09305	2.0
451.10468	11.1
452.10535	1.8
559.12256	1.4
577.13281	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	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06824	0.6
57.03450	14.1
63.19107	0.6
65.22639	0.6
69.77793	1.3
69.78152	1.4
81.03471	0.7
83.01382	3.6
83.93124	0.7
93.03419	0.7
95.05008	1.3
97.02952	2.0
105.55039	0.6
107.05023	1.1
109.02955	11.8
121.02950	2.8
123.04532	7.5
125.02454	100.0
126.02817	1.2
133.02954	2.4
135.04526	1.3
137.02460	15.6
139.04039	1.3
146.03734	0.9
149.02458	2.7
150.03284	1.0
151.04012	7.8
159.04547	1.9
161.02461	21.0
161.06085	2.6
162.03239	1.7
163.00461	1.1
163.04034	1.7
164.01225	2.1
165.01958	4.0
167.03493	1.2
175.03993	5.8
177.01993	3.5
179.03497	3.3
185.06151	0.9
187.04050	3.7
188.04814	1.9
189.05545	0.8
199.04135	0.9
201.05699	1.3
202.02559	0.7
202.06424	0.9
203.07095	6.2
205.01453	1.3
205.05074	4.7
215.03455	1.3
215.07227	0.7
217.05093	1.6
219.06703	0.8
221.08157	0.9
227.03673	1.1
227.07227	1.2
229.04977	1.6
230.05862	0.8
243.03073	1.6
245.04576	3.8
245.08168	6.8
247.06181	0.8
253.05090	0.9
255.03072	5.0
256.03900	3.5
257.04550	1.8
269.04553	2.2
271.06305	0.7
273.04050	3.4
281.04599	1.5
287.05621	5.9
289.07193	47.8
290.07480	1.5
299.05554	6.7
329.06674	1.4
339.08752	2.9
381.09747	2.8
407.07721	38.1
408.08090	1.7
425.08759	14.3
425.14117	1.0
451.10275	9.6
452.10809	0.8
492.77283	0.7
577.13666	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	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03217	1.3
57.03453	16.1
69.62677	2.2
69.63052	2.3
77.40278	0.8
81.03457	2.1
82.94102	0.9
83.01385	4.7
93.03465	2.2
95.01437	1.0
95.05020	2.1
97.02950	6.3
97.22296	1.0
98.21931	1.9
107.04991	1.5
107.15120	1.0
108.02174	1.7
109.02957	19.7
118.06339	1.0
121.02954	3.1
122.03764	1.0
123.04532	14.0
125.02457	100.0
126.02805	1.6
133.02951	4.3
135.04538	1.9
137.02454	21.2
138.03146	0.9
139.04016	3.4
140.39120	1.0
145.03012	1.5
146.81700	0.9
147.04549	1.8
147.30856	0.9
149.02444	6.5
150.03268	1.3
150.34740	0.9
151.04015	14.2
159.04500	3.5
161.02463	31.2
161.06140	4.6
162.03230	2.8
163.00368	1.9
163.03970	3.0
164.01151	5.0
164.52310	1.0
165.01945	4.7
167.03474	2.1
175.04033	12.7
175.07620	1.8
177.01904	6.1
179.03484	4.9
185.06024	2.1
187.04030	8.1
188.04797	3.1
196.50989	1.2
199.03854	1.4
201.05611	3.3
202.06366	1.1
203.07147	10.1
205.01457	2.1
205.05048	8.1
211.04118	1.6
215.03494	1.2
217.05066	1.9
219.03023	1.7
221.08147	1.8
227.03448	1.6
227.07137	2.5
228.04233	1.6
229.05003	3.5
230.05847	1.1
231.02951	2.0
231.06712	1.2
243.02963	2.0
245.04514	4.7
245.08221	13.5
247.06120	1.8
255.03038	10.0
255.05542	1.4
255.06479	1.3
256.03802	6.0
257.04538	2.2
269.04480	2.3
273.04025	4.4
281.04538	3.6
283.02441	2.4
284.03226	1.0
285.04028	3.5
287.05594	6.2
289.07208	47.8
290.07428	2.4
293.11105	1.1
297.04404	1.6
297.07663	1.8
299.05615	5.2
329.06723	1.4
339.08737	3.3
407.07703	46.8
408.08133	3.3
425.08813	15.5
451.10248	6.5
577.13171	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	577.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	16.9
59.01397	1.0
69.51942	3.2
71.01389	1.1
72.89864	0.7
81.03458	1.9
81.65961	0.6
83.01395	3.9
83.88951	0.7
84.78632	0.7
85.02937	0.8
85.97906	0.7
93.03473	2.4
95.05017	1.6
96.57816	0.6
97.02978	3.5
105.03514	0.8
107.05018	0.9
108.02193	1.1
109.02956	16.2
121.02952	2.3
122.03760	1.1
123.04523	11.7
125.02461	100.0
126.02836	1.6
130.06625	1.5
131.05048	1.0
133.02965	4.6
135.04521	1.0
137.02457	20.1
139.04036	2.5
145.03049	1.1
148.01605	1.0
149.02483	4.7
150.03236	1.7
151.04007	9.2
159.04546	4.6
160.05377	0.9
161.02472	22.5
161.06091	4.2
161.07233	0.7
162.03146	2.4
163.00383	1.8
163.04025	2.8
164.01169	5.3
165.01903	3.7
167.03514	1.3
174.05617	2.0
175.04039	6.5
175.07622	1.0
177.01990	3.6
179.03519	3.6
183.28166	0.8
185.05984	1.0
187.03996	4.6
188.04771	2.0
201.05565	1.6
202.06270	0.9
203.07173	7.3
205.01437	1.6
205.05109	5.8
215.03482	1.5
217.09059	0.8
221.08310	1.6
228.04298	0.8
229.05049	2.9
231.02997	1.1
243.02995	1.7
243.06389	0.8
245.04553	2.6
245.08206	9.2
247.06158	0.9
255.03087	5.6
256.03766	3.3
269.04614	1.5
271.06091	0.9
273.04153	5.5
281.04535	1.7
285.04102	1.0
287.05603	7.3
289.07208	59.4
290.07544	2.1
299.05603	6.7
323.09857	2.7
326.98712	0.9
339.08746	3.0
381.09692	3.6
407.07745	41.9
408.07922	1.9
412.00961	0.8
425.08832	15.9
426.09760	0.8
451.10422	9.7
541.17706	1.0
577.13220	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
61.98826	0.2
63.02399	1.3
63.03280	0.1
65.00010	0.2
65.00306	0.9
65.18346	0.1
70.65586	0.3
71.01393	1.0
73.02940	0.3
75.00872	0.4
78.78741	0.1
79.89993	0.1
83.01385	0.2
85.02946	0.3
89.00391	0.1
89.02457	1.3
93.03467	0.3
93.80340	0.1
99.00903	0.2
101.02447	0.7
105.03474	0.2
107.01400	1.4
113.02457	0.3
117.03487	2.5
119.03496	0.2
121.02977	0.2
125.02449	0.2
131.03526	0.2
131.05043	0.1
135.04549	0.2
149.02454	0.7
149.04555	0.3
151.00410	0.8
159.04515	1.2
161.02437	0.9
161.04544	0.2
169.06606	0.4
171.62936	0.1
179.05589	0.2
181.06589	0.3
181.12367	0.1
182.03780	0.1
183.04573	0.6
190.71341	0.1
196.05269	0.3
197.06102	0.6
199.04114	0.1
201.05617	0.6
203.03535	0.2
223.03865	0.1
224.04831	0.3
225.05592	1.1
227.03560	0.4
239.03624	0.1
240.04419	0.2
241.05162	0.1
253.05240	0.1
268.00873	0.1
268.03802	2.9
269.04568	100.0
270.04922	3.3
311.05563	0.4
415.23849	0.1
415.72635	0.1
517.23230	0.2
533.38300	0.1
547.06848	0.1
577.15607	2.8
577.28357	0.2
578.15948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.3
63.29508	0.4
68.42400	0.4
71.01370	2.1
71.84081	0.4
73.02950	0.6
74.89288	0.4
75.78560	0.3
79.77201	0.3
83.01395	0.5
83.39758	0.3
85.02961	0.7
89.02457	3.0
93.03485	1.1
95.46816	0.4
96.04223	0.3
99.17666	0.3
101.02439	2.3
107.01376	0.6
109.02961	0.4
113.02477	1.3
117.03470	1.1
119.03529	0.8
135.00853	0.5
143.05029	0.9
149.04530	1.1
151.00388	1.3
154.04276	1.1
155.05026	0.7
159.04524	1.1
163.00388	0.6
165.01932	1.0
167.05009	0.8
168.05818	0.6
169.06636	3.3
171.04524	0.8
173.02469	1.2
179.05595	1.1
183.04532	3.0
185.06108	2.2
187.04015	1.9
189.05571	1.6
191.05704	0.5
195.04579	0.5
199.04001	0.7
204.69261	0.4
211.04041	2.5
212.04683	0.6
213.05537	3.3
214.02693	1.4
215.03493	1.1
227.03488	5.3
229.05028	1.5
239.03535	1.1
241.05101	0.7
243.03050	1.9
255.02992	39.4
256.03473	1.7
257.04523	3.1
283.02490	70.1
283.51651	0.4
284.03098	5.5
285.04053	100.0
286.04410	2.9
325.98920	0.5
349.30670	0.5
430.09055	18.3
431.09833	69.7
432.10315	2.9
517.22852	0.5
577.15631	37.2
578.15588	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1569
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
59.01364	1.5
59.01632	0.3
61.98836	2.0
63.02409	1.0
65.00319	0.7
71.01373	1.1
71.44308	0.3
73.02968	0.3
76.29440	0.3
83.01414	0.5
83.69524	0.3
87.00915	0.4
87.36385	0.3
89.02460	0.7
93.03473	0.4
101.02471	0.7
107.01389	1.2
113.02441	0.6
117.03480	2.9
119.03475	0.4
135.04469	0.6
149.02539	0.7
151.00339	0.9
159.04504	1.2
161.02432	0.8
171.04550	0.4
179.05615	0.5
181.06628	0.4
183.04558	0.5
191.05603	0.4
193.32533	0.3
197.05965	0.4
221.18983	0.4
225.05508	0.9
227.03592	0.6
240.04224	0.5
268.03799	3.8
269.04553	100.0
270.04953	3.5
285.04062	0.9
411.88583	0.4
423.71768	0.4
446.27707	0.7
577.15710	1.7
577.29517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70030	1.1
55.01879	1.9
57.03442	2.9
59.01382	51.0
69.03473	7.8
71.01387	62.8
72.99311	1.6
73.02951	12.4
75.00887	1.4
83.01397	4.8
83.05029	2.9
85.02951	20.2
87.00898	2.7
87.04533	1.6
89.02452	36.0
93.03469	2.8
95.01395	9.3
97.02954	2.1
99.00900	4.2
101.02454	28.3
108.02161	1.4
109.02961	2.5
111.04575	2.9
112.01657	15.4
113.02464	43.7
119.03513	10.6
121.03005	3.1
123.00896	100.0
123.04538	2.3
124.01679	37.9
125.02443	4.4
127.04065	2.7
131.03505	12.8
135.04524	3.2
137.02455	5.9
138.03241	69.7
139.04025	46.2
143.03502	6.0
149.02505	2.8
149.04715	2.0
151.03981	2.8
155.03502	1.3
159.03003	3.8
161.02437	3.3
161.04576	54.4
163.04079	1.5
166.02658	2.6
173.04579	3.8
178.02762	2.1
178.20752	1.3
179.03534	2.2
179.05624	7.3
181.05057	9.1
193.05035	2.9
210.22714	1.4
219.67320	1.2
223.06110	1.8
229.20003	1.4
275.04681	2.0
275.07736	49.3
293.08783	3.4
301.09305	67.3
302.09610	1.9
345.56433	1.4
415.12204	6.5
577.17157	1.8
581.52118	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34087	0.2
50.39076	0.2
53.73574	0.2
59.01385	1.2
61.98817	0.3
68.83219	0.2
69.03461	1.3
69.16940	1.5
71.01379	0.9
71.05025	22.3
72.77763	0.2
89.02433	0.5
93.03468	5.7
97.02958	5.9
101.02489	0.5
113.02467	1.1
115.04021	100.0
116.04362	0.7
137.02457	12.7
141.00465	0.3
167.73703	0.2
179.03505	1.3
239.05724	0.6
241.64252	0.3
294.99969	0.4
299.07755	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	577.1933
Annotation	Dracunculifoside O
Peak:m/z	Relative Intensity
51.12149	0.9
59.01387	14.1
61.98817	1.1
69.25815	4.5
71.01384	6.0
73.02952	1.8
74.12742	0.8
83.01398	1.6
85.02963	3.0
89.02455	4.2
101.02459	5.9
105.03437	1.0
108.02177	0.8
109.02972	1.1
113.02461	3.0
114.88935	0.9
117.03487	1.9
118.42345	0.8
119.03483	1.7
120.67493	0.8
121.02921	0.9
125.02462	3.1
130.60909	0.9
132.02214	3.0
133.02975	34.0
134.03773	7.8
135.04536	24.6
135.05507	1.6
137.02460	3.1
145.02992	3.5
146.03751	68.3
147.04428	2.7
149.02441	1.0
151.03940	0.9
153.01971	1.0
161.02461	90.4
161.06075	20.8
162.02783	1.3
162.47110	0.9
163.04047	2.6
163.06136	1.9
164.04810	50.5
178.99884	1.3
179.03564	16.3
179.07144	71.1
180.07509	1.6
193.05116	1.6
229.04892	0.9
243.02940	1.5
244.03384	0.9
258.66528	0.9
268.03714	1.0
269.04578	17.7
271.02658	1.4
272.03000	1.9
273.03088	1.3
285.03983	1.1
289.07162	1.5
307.05963	1.1
325.10910	2.1
337.10828	3.6
396.07571	1.3
397.11404	39.3
398.12213	1.0
445.21100	1.1
451.09570	1.1
577.19440	100.0
578.19971	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	577.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03448	0.7
58.00599	0.8
59.01386	30.9
66.67823	0.4
69.62968	1.8
71.01389	23.8
72.99303	0.9
73.02947	3.6
79.63314	0.4
83.01382	1.6
85.02954	6.9
87.00870	0.8
89.02454	18.6
92.81133	0.4
95.01408	2.1
97.06673	0.5
99.00868	1.2
101.02455	10.7
108.02232	0.4
113.02459	9.2
119.03513	7.0
121.02984	2.9
131.03485	1.0
133.05063	1.7
135.04483	0.4
137.02460	0.4
143.03522	1.9
157.05112	0.5
159.02982	1.3
161.04572	11.7
164.04831	4.9
169.49240	0.4
179.05698	6.7
179.07141	100.0
180.07516	2.4
192.70256	0.4
235.08206	4.5
341.12570	0.5
415.16129	18.5
416.16678	1.0
528.29816	0.4
577.21606	4.9
578.21967	0.5
581.44360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.4
63.23868	0.3
69.03438	0.4
71.01386	1.7
71.45035	0.3
73.02945	0.4
81.96536	0.2
85.06589	1.5
87.00859	0.4
89.02454	1.5
93.03447	0.3
96.96041	0.3
97.84808	0.3
99.00889	0.3
100.78223	0.2
101.02446	1.4
113.02467	0.5
113.06190	0.3
115.92085	0.4
116.92906	0.2
117.03479	0.5
119.03511	0.9
123.04503	0.5
125.02572	0.3
135.04539	0.4
149.04599	0.7
151.04039	5.3
161.02524	0.6
161.04515	0.3
163.06140	0.3
165.05580	0.4
175.00330	0.3
179.03511	47.4
180.03831	1.1
190.98878	0.3
191.05702	0.4
193.05067	0.7
194.05852	64.5
195.06201	1.3
205.12282	0.4
209.08203	100.0
210.08565	2.1
252.27914	0.3
269.04681	0.7
283.02423	1.1
285.04102	1.6
293.04623	2.7
300.32730	0.3
413.08749	1.4
431.09756	1.1
450.16278	0.3
517.23724	0.5
576.12134	0.3
577.15619	1.1
577.28259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.4
63.23868	0.3
69.03438	0.4
71.01386	1.7
71.45035	0.3
73.02945	0.4
81.96536	0.2
85.06589	1.5
87.00859	0.4
89.02454	1.5
93.03447	0.3
96.96041	0.3
97.84808	0.3
99.00889	0.3
100.78223	0.2
101.02446	1.4
113.02467	0.5
113.06190	0.3
115.92085	0.4
116.92906	0.2
117.03479	0.5
119.03511	0.9
123.04503	0.5
125.02572	0.3
135.04539	0.4
149.04599	0.7
151.04039	5.3
161.02524	0.6
161.04515	0.3
163.06140	0.3
165.05580	0.4
175.00330	0.3
179.03511	47.4
180.03831	1.1
190.98878	0.3
191.05702	0.4
193.05067	0.7
194.05852	64.5
195.06201	1.3
205.12282	0.4
209.08203	100.0
210.08565	2.1
252.27914	0.3
269.04681	0.7
283.02423	1.1
285.04102	1.6
293.04623	2.7
300.32730	0.3
413.08749	1.4
431.09756	1.1
450.16278	0.3
517.23724	0.5
576.12134	0.3
577.15619	1.1
577.28259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25272	37.8
61.78363	49.0
61.98821	54.1
81.07637	46.8
125.28109	56.0
131.32005	61.3
132.39867	50.9
141.70035	52.7
204.18451	50.5
251.44676	53.4
265.18033	100.0
283.62527	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06036	3.9
59.01389	99.7
61.98833	4.6
69.21944	14.4
69.22357	8.3
71.01392	60.4
73.02956	13.6
85.02959	10.5
87.00272	3.4
87.00885	10.8
89.02453	78.7
90.93413	3.5
93.78841	4.2
97.02948	9.1
101.02463	33.4
113.02477	14.0
119.03490	4.8
125.02480	5.9
131.03520	35.0
138.06889	7.7
149.04582	51.1
151.07619	3.9
152.08432	16.3
153.09258	23.8
161.04552	3.8
185.92249	3.9
191.05571	19.4
205.12343	32.5
293.08685	21.0
348.69608	4.1
517.22961	100.0
596.38959	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	577.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01082	5.0
59.01383	86.4
60.23574	3.0
70.65134	4.8
71.01385	54.8
73.02953	24.0
78.07224	3.0
85.02956	9.2
89.02454	100.0
96.95979	3.5
99.00890	29.5
101.02449	43.1
105.36127	3.3
113.02452	12.3
124.86786	3.2
125.02478	4.4
131.03525	19.7
143.03471	4.2
149.04565	78.9
161.04675	4.7
162.76828	3.4
175.84016	3.3
191.05620	26.0
221.06654	11.6
251.07768	10.1
252.04420	3.4
269.04578	43.1
311.09619	8.9
314.11124	4.5
331.27609	3.4
425.47375	4.0
517.22723	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20132	1.2
53.32762	1.2
53.75070	1.2
54.38464	1.6
55.01884	2.2
57.03431	2.8
59.01385	100.0
61.66542	1.3
61.98817	3.2
64.92507	1.3
69.03466	1.5
69.23785	7.6
71.01386	53.4
73.02962	11.3
75.00868	5.7
83.01389	4.0
85.02968	12.0
87.00885	4.2
89.02452	71.4
95.01363	2.2
97.02922	2.0
98.22662	2.3
99.00890	9.5
101.02455	38.0
109.02991	1.5
111.00875	1.8
113.02459	19.6
119.03513	21.7
125.02423	3.6
131.03517	12.0
135.04466	1.9
143.03477	5.4
149.04572	28.4
161.02493	1.9
161.04568	7.9
163.06119	5.6
165.70883	1.4
175.34134	1.4
176.01190	2.3
179.03584	2.3
179.05612	15.4
181.12361	1.8
187.11240	2.9
191.05602	9.4
205.12209	2.3
221.06662	3.3
251.07706	1.9
283.02390	2.0
285.04083	5.7
293.08807	1.8
346.46619	1.4
415.23605	3.4
517.23004	14.1
577.28723	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79883	1.6
57.03458	2.6
58.00615	2.6
59.01387	100.0
61.98842	10.9
66.21694	1.9
67.11164	1.6
69.38831	9.5
71.01391	59.0
72.99310	2.6
73.02964	14.3
73.58041	1.6
75.00891	2.1
83.01384	3.2
83.69247	1.9
85.02975	13.0
87.00893	8.4
89.02458	92.8
96.96045	3.2
98.22660	3.7
99.00890	1.9
101.02451	47.0
109.02974	2.1
113.02471	11.7
119.03516	10.8
125.02474	6.0
131.03519	36.8
135.04549	3.0
135.81699	1.9
143.03540	3.4
149.04579	91.4
155.10844	3.4
159.04526	2.2
161.02405	2.3
161.04611	3.1
164.08249	2.0
169.06564	1.8
179.03494	2.8
179.05676	4.9
185.06134	3.1
187.11327	3.6
191.05640	22.1
205.12372	3.4
214.02818	2.1
221.11839	5.9
222.12111	3.0
227.03467	4.8
251.07745	3.6
255.03036	30.6
283.02539	41.7
284.03107	6.4
285.04080	63.3
286.04361	3.4
293.08795	2.9
311.09756	3.6
430.09143	9.2
431.09900	43.2
475.18295	5.0
517.22992	24.0
577.15704	23.8
577.28290	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	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19324	0.6
59.01388	0.7
61.98835	21.3
63.96242	1.2
69.90763	0.5
70.65235	0.8
71.01390	7.5
72.99306	0.5
73.02956	1.8
78.98602	5.4
79.95749	10.7
80.96525	64.5
81.03457	0.6
81.46098	0.6
85.02944	3.5
87.00887	2.5
94.98096	14.9
96.95978	0.6
97.02964	1.8
99.00913	0.6
99.51064	0.5
101.02437	2.1
106.98101	3.2
122.97605	5.0
125.02419	2.7
134.97597	4.9
136.99129	1.6
148.99155	6.0
152.98643	7.0
164.98642	9.1
182.99646	2.3
206.99716	2.4
225.00783	12.6
243.01816	1.5
245.91554	0.7
277.21780	1.6
299.04382	2.6
363.15881	0.7
577.26929	100.0
578.27307	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	577.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18637	0.5
59.01384	1.2
61.98835	19.8
63.96243	1.4
65.05089	0.5
69.03439	0.5
69.20567	3.1
71.01388	5.7
72.60067	0.5
73.02952	2.0
73.88219	0.5
74.98504	0.5
78.98595	5.5
79.95741	10.5
80.96525	66.6
81.03448	0.9
85.02954	2.6
85.99942	0.5
87.00877	2.5
94.98087	14.1
96.14333	0.5
96.95979	0.7
97.02943	1.5
99.00900	0.6
99.04541	0.6
101.02460	2.2
106.98110	2.8
122.97590	2.2
125.02467	2.7
127.04005	1.0
134.97581	4.4
136.99155	1.9
148.99138	5.5
152.98640	4.3
164.98654	12.2
176.98586	0.5
177.00249	0.5
206.99689	2.0
213.57491	0.5
217.50522	0.5
225.00758	12.4
275.29129	0.6
277.21646	1.6
299.04239	2.7
344.63925	0.5
473.66000	0.5
577.26917	100.0
578.27118	5.1
600.13806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45621	0.3
59.01385	6.3
65.90395	0.2
69.21209	1.7
71.01376	2.0
73.02948	0.7
74.16048	0.3
80.25450	0.3
85.02956	0.5
85.06596	100.0
86.06947	1.0
89.02446	2.4
93.03494	0.4
99.00895	0.5
101.02435	1.5
101.56394	0.3
110.13244	0.3
113.02459	1.2
113.06099	18.6
114.06422	0.4
115.04019	15.7
119.03519	0.5
129.05598	4.9
131.03539	0.4
135.04527	0.3
137.02425	0.3
149.04562	0.8
157.05067	6.1
161.02438	0.5
161.04518	0.3
179.03526	0.4
179.05655	0.5
179.07164	0.4
189.07706	12.7
190.08029	0.3
242.46161	0.3
250.65038	0.3
255.03056	0.4
283.02545	0.6
285.04019	0.9
314.21841	0.3
331.03680	0.3
355.98740	0.4
431.10062	0.8
517.26215	1.1
535.27631	0.8
562.49622	0.3
577.16675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4241
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
59.01383	3.5
79.92373	0.5
83.05016	1.0
99.01863	0.5
104.60057	0.5
178.35391	0.5
205.19551	0.7
212.56398	0.5
233.22754	1.2
241.45953	0.5
259.20541	1.3
269.04575	2.0
277.21744	100.0
278.22043	3.0
324.26999	0.5
402.64224	0.6
563.25757	0.6
577.42413	38.7
578.42834	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	578.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	15.0
61.98841	33.7
63.29793	5.2
65.12560	4.7
70.52117	9.9
71.01379	18.0
73.02953	11.4
78.95873	6.3
79.95754	12.6
80.96523	74.1
94.98079	14.2
96.95983	6.6
98.39645	5.5
119.16563	4.7
121.94402	15.2
125.02366	5.9
134.97614	11.9
148.99022	5.2
157.18260	5.6
164.98647	12.2
225.00804	12.5
273.22256	6.3
277.21765	60.3
291.23306	64.2
301.21637	6.5
319.22678	18.2
579.28448	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	578.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70776	0.5
60.56971	0.5
61.98837	100.0
69.23241	0.9
69.23634	2.7
80.96523	2.9
94.98156	0.5
101.41548	0.5
116.22253	0.5
225.00783	0.7
262.95694	0.5
279.23315	0.6
379.26215	0.5
579.28503	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	578.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95679	0.4
58.86918	0.3
61.98835	100.0
69.30024	0.6
69.30424	1.6
71.01382	0.6
79.95741	0.8
80.96520	4.8
87.93972	0.3
89.73476	0.3
94.98090	0.9
96.96110	0.3
124.27713	0.3
152.98691	0.6
164.98668	0.8
225.00819	1.4
304.96033	0.4
375.33710	0.4
579.28558	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	578.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02233	1.0
54.25475	1.1
55.01892	1.0
55.51583	0.9
57.03444	2.3
59.01389	14.2
61.98837	19.8
71.01392	10.6
71.43256	1.3
72.99291	1.2
73.02960	2.4
74.02469	1.9
82.95467	1.0
83.01391	1.7
84.04587	1.3
85.02959	4.7
87.00875	2.3
89.02452	3.6
95.01391	1.2
97.02988	2.0
101.02460	6.3
102.05624	29.1
113.02450	2.5
119.03486	1.3
120.01305	1.1
124.07744	1.2
125.02459	1.5
128.03555	42.5
135.04541	3.0
146.04628	7.6
155.10649	1.0
161.02429	2.5
179.03514	2.5
191.05560	1.2
257.13037	1.4
258.13211	2.0
269.21362	1.2
285.04132	2.6
287.22308	11.4
327.12424	4.3
431.26324	3.0
446.24506	1.9
447.26270	1.8
449.27609	28.8
492.98688	1.3
498.39227	1.1
534.33051	2.7
560.30811	4.7
578.21869	4.2
578.31854	100.0
579.31903	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	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29798	0.4
52.04179	0.4
59.01385	16.5
60.06188	0.4
69.10788	2.3
69.11188	1.0
71.01382	1.1
78.20776	0.4
78.95909	7.0
78.98583	1.1
79.95741	2.0
80.96525	12.3
94.98090	2.5
98.22639	0.8
106.98144	0.7
122.97617	0.7
127.67970	0.5
134.97647	0.9
148.99208	0.8
152.98544	0.7
152.99603	1.4
158.74135	0.5
164.98599	1.1
168.04367	1.6
220.78770	0.5
224.07053	0.9
225.00784	2.0
226.01091	0.7
242.07977	2.6
279.23318	100.0
280.23694	3.9
299.04257	0.6
300.04541	0.5
330.18478	0.5
430.07513	0.5
504.31012	29.2
505.31360	1.4
578.27264	16.0
579.27057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.7
59.17315	0.5
61.98832	2.0
62.24581	0.4
69.26346	0.6
69.39867	2.8
71.01390	1.6
78.95908	22.5
78.98591	1.1
79.95741	1.7
80.96523	13.6
82.78374	0.5
82.96130	0.6
85.02980	0.6
94.98098	3.0
98.21850	1.0
106.98103	1.1
122.97591	0.6
125.02466	0.6
134.97609	1.0
136.99133	0.6
148.99181	0.9
152.99638	3.1
164.98650	1.4
168.04320	3.4
212.91698	0.5
224.06932	8.3
225.00665	1.5
242.08098	2.2
261.22116	0.6
279.23315	100.0
280.23682	2.6
290.63208	0.5
297.31390	0.5
300.66751	0.6
338.19766	0.6
347.32700	0.6
348.31757	0.7
385.09781	0.6
441.51114	0.6
504.31009	54.8
505.31506	2.6
529.30060	0.6
578.27283	18.4
579.27209	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	579.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.9
61.98825	1.1
63.02405	1.1
65.00341	0.8
69.25730	2.2
71.01385	3.0
72.99324	0.5
73.02962	1.6
85.02969	1.3
87.00876	0.4
89.02464	2.2
93.03497	0.7
95.01398	0.6
96.96029	0.6
99.00903	0.6
101.02467	1.6
107.01403	1.5
109.02962	1.3
113.02467	1.1
115.04051	0.6
119.03500	0.5
121.02978	1.2
123.04502	0.4
131.03529	0.4
133.02960	5.9
135.04558	1.1
137.02438	0.6
140.24275	0.4
149.02432	1.4
149.04547	0.8
151.00372	3.5
151.04027	0.6
161.02473	1.7
161.04585	0.6
166.02748	0.7
166.06288	0.7
173.04599	0.5
175.04027	2.9
177.02014	0.6
179.03534	0.7
181.05164	0.6
191.05637	1.5
195.07030	0.4
197.06166	0.5
198.46234	0.4
199.03989	2.5
201.01884	0.7
211.04056	0.6
213.05597	0.7
217.05092	1.7
223.04291	0.4
229.05127	0.5
239.03577	0.5
241.05135	0.9
243.03018	0.6
267.02856	0.4
269.04596	0.5
283.02521	0.8
284.03275	7.6
285.04068	100.0
286.04395	4.1
297.11349	0.8
303.13568	0.5
327.12497	0.7
345.13470	0.5
369.02045	0.4
375.14557	2.0
387.20239	0.7
416.19901	0.4
417.15457	1.3
447.09415	0.8
519.24384	5.0
579.13580	52.6
580.13898	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	579.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54898	0.5
59.01385	12.5
61.98837	2.0
63.02415	0.6
65.00349	0.8
69.20468	3.2
71.01377	7.1
71.01736	0.6
73.02956	1.1
76.10060	0.5
76.70363	0.4
81.91528	0.6
83.01408	0.9
83.32643	0.5
83.96451	0.5
85.02969	1.4
87.00876	1.1
89.02457	11.5
91.75678	0.5
93.03469	0.8
98.22637	0.9
101.02452	4.5
107.01400	1.1
111.00893	0.7
113.02513	1.3
115.04057	0.7
117.03490	0.7
119.03582	0.9
125.02441	0.8
131.03542	4.3
133.03009	0.7
135.04504	0.4
136.01709	0.6
137.02454	0.5
149.04579	10.3
149.05666	0.5
150.03275	1.4
151.00375	4.0
154.04311	1.0
155.05080	0.6
159.04498	1.3
161.02524	0.6
163.00500	0.5
165.05576	1.8
166.02763	3.3
169.06665	1.3
171.04573	0.8
173.02347	0.6
179.03540	0.5
181.05074	3.2
183.04466	3.0
185.02419	0.6
185.06079	1.5
187.04022	1.0
189.05560	0.6
191.05685	1.7
195.06636	1.0
199.04022	0.9
211.04059	2.0
213.05605	1.7
227.03513	10.4
229.05179	1.1
239.03564	1.0
241.05099	0.7
243.03021	0.7
255.02998	51.9
256.03616	4.4
257.04529	1.2
271.02698	0.7
283.02502	79.5
284.03256	23.5
285.04062	80.2
286.04333	2.8
297.11292	1.4
311.09714	0.6
327.05157	0.6
327.12439	0.6
387.10818	0.9
402.13608	0.6
416.07526	13.0
417.08298	2.2
417.15454	4.2
447.09344	100.0
448.09647	3.9
461.14899	0.8
519.24634	2.6
567.98981	0.6
579.13550	23.6
580.14032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54898	0.5
59.01385	12.5
61.98837	2.0
63.02415	0.6
65.00349	0.8
69.20468	3.2
71.01377	7.1
71.01736	0.6
73.02956	1.1
76.10060	0.5
76.70363	0.4
81.91528	0.6
83.01408	0.9
83.32643	0.5
83.96451	0.5
85.02969	1.4
87.00876	1.1
89.02457	11.5
91.75678	0.5
93.03469	0.8
98.22637	0.9
101.02452	4.5
107.01400	1.1
111.00893	0.7
113.02513	1.3
115.04057	0.7
117.03490	0.7
119.03582	0.9
125.02441	0.8
131.03542	4.3
133.03009	0.7
135.04504	0.4
136.01709	0.6
137.02454	0.5
149.04579	10.3
149.05666	0.5
150.03275	1.4
151.00375	4.0
154.04311	1.0
155.05080	0.6
159.04498	1.3
161.02524	0.6
163.00500	0.5
165.05576	1.8
166.02763	3.3
169.06665	1.3
171.04573	0.8
173.02347	0.6
179.03540	0.5
181.05074	3.2
183.04466	3.0
185.02419	0.6
185.06079	1.5
187.04022	1.0
189.05560	0.6
191.05685	1.7
195.06636	1.0
199.04022	0.9
211.04059	2.0
213.05605	1.7
227.03513	10.4
229.05179	1.1
239.03564	1.0
241.05099	0.7
243.03021	0.7
255.02998	51.9
256.03616	4.4
257.04529	1.2
271.02698	0.7
283.02502	79.5
284.03256	23.5
285.04062	80.2
286.04333	2.8
297.11292	1.4
311.09714	0.6
327.05157	0.6
327.12439	0.6
387.10818	0.9
402.13608	0.6
416.07526	13.0
417.08298	2.2
417.15454	4.2
447.09344	100.0
448.09647	3.9
461.14899	0.8
519.24634	2.6
567.98981	0.6
579.13550	23.6
580.14032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.17035	0.3
61.98825	0.8
63.02405	1.8
65.00326	8.4
68.99815	0.5
70.95944	0.5
71.01376	0.5
83.01382	4.7
93.03471	5.0
105.77837	0.4
107.01398	12.2
108.30674	0.3
117.03489	3.6
119.05036	31.9
120.05357	0.7
121.02979	0.7
125.02454	3.8
131.01414	1.4
135.00966	0.4
137.02470	0.6
143.05035	0.7
145.02966	11.6
149.02449	1.0
151.00378	46.9
152.00702	0.9
161.06088	1.6
163.04001	1.5
165.01907	2.7
169.01410	0.9
175.00380	3.3
177.01944	4.7
185.06090	1.5
187.03963	1.7
193.01418	1.4
199.07555	0.6
204.38171	0.4
205.01347	0.5
205.05101	0.9
211.74466	0.4
221.18060	0.4
225.13670	0.4
227.07103	1.9
265.07169	1.7
269.04510	3.7
270.04987	2.3
271.06131	100.0
272.06470	2.6
295.06180	2.7
295.56174	0.3
307.08228	12.9
308.08463	0.4
313.07355	1.8
542.23901	0.4
579.15015	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	579.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01304	0.4
52.06889	0.5
57.17863	0.5
58.67019	0.4
59.01379	0.7
61.98836	2.5
63.02393	2.0
65.00327	8.4
65.93797	0.4
69.57502	0.9
69.57912	1.5
83.01392	5.1
83.13749	0.4
93.03458	5.5
98.44428	0.4
107.01392	13.9
108.02168	0.5
109.02990	0.5
117.03459	3.7
118.03760	0.4
119.05029	30.9
120.05403	0.7
125.02464	4.4
131.01393	1.1
133.02968	0.5
143.05087	0.6
145.02960	14.4
146.03337	0.7
146.17477	0.4
149.02390	0.7
151.00383	46.9
152.00706	0.6
155.71404	0.4
161.06125	1.7
163.04008	1.7
164.01149	0.5
165.01968	2.7
169.01401	1.7
175.00362	3.6
177.01930	5.1
185.06044	1.9
187.04022	2.1
189.05476	0.5
193.01393	1.1
205.05118	1.3
217.01407	0.5
227.07179	2.7
265.07214	1.5
269.04617	3.5
270.05008	2.0
271.06131	100.0
272.06512	3.9
295.06113	3.6
307.08267	12.5
313.07150	1.7
337.07324	0.5
433.11371	0.6
489.08301	0.5
579.14801	6.8
580.16656	0.5
592.84265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
61.34217	0.7
61.98835	2.7
65.00323	1.3
65.11556	0.8
68.99825	20.5
71.41600	0.9
71.86990	0.9
81.03452	1.2
83.01422	1.3
93.03477	1.0
94.52773	0.9
102.96240	0.8
107.01415	2.6
108.02179	34.8
109.02996	5.6
116.00076	0.7
117.03481	2.8
119.05039	5.2
121.02972	1.9
122.03759	4.7
123.00921	6.3
123.04539	32.7
125.02496	1.0
132.02200	4.7
133.02991	2.6
134.03732	0.8
135.04555	1.5
138.03238	15.4
145.02971	3.4
147.04544	3.1
148.01678	1.4
150.03233	13.7
151.00380	6.4
153.05615	1.1
160.01717	1.7
161.02448	8.7
162.03236	31.5
162.04588	1.8
163.04034	11.2
164.04791	1.1
165.05579	1.4
175.04021	6.5
176.04820	1.1
177.02000	2.6
177.05588	36.2
178.02734	37.4
179.03506	3.2
187.04167	0.8
188.04858	1.1
190.06374	3.4
193.05075	100.0
194.05838	10.6
204.04405	1.0
218.05833	15.7
218.07790	1.3
222.05336	1.5
231.06564	1.1
237.05595	1.9
238.06458	3.5
244.64915	0.8
254.06047	2.1
265.05008	1.9
266.05838	6.4
269.04614	3.8
269.08240	1.3
270.04993	2.8
271.06168	12.8
277.05161	1.9
278.05838	7.5
279.06720	2.3
281.04834	1.2
281.08408	4.0
282.05511	2.4
291.06729	1.7
294.05463	2.7
295.06317	1.5
297.07684	3.5
306.05432	8.2
307.05609	5.1
309.04126	2.2
309.07596	1.9
310.04922	3.4
320.06940	3.0
321.03900	1.2
321.07687	23.2
322.04785	2.5
322.08514	4.6
324.06500	2.9
325.07227	15.7
335.09363	1.7
336.10098	9.4
337.07178	17.3
337.10834	1.9
339.08795	6.8
340.09537	12.0
341.10175	1.0
352.09659	3.0
354.11118	11.9
355.11896	27.6
356.12482	1.6
367.11893	34.3
384.12125	1.4
385.13190	1.0
519.16772	2.3
531.16473	1.1
549.17902	3.7
579.18933	33.8
580.19263	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	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01379	5.8
61.98837	4.5
67.35157	0.6
68.11902	0.6
69.27788	3.5
71.01392	4.4
73.02944	1.4
80.49654	0.6
85.02959	1.7
89.02455	2.2
96.96003	0.7
98.21867	1.3
101.02454	2.2
103.01586	0.6
105.03445	1.2
107.05032	0.7
108.02193	1.4
109.02969	1.5
113.02433	1.1
115.04068	0.6
117.03468	1.5
119.03487	1.3
121.02969	12.0
123.04531	1.1
125.02419	1.0
132.02180	2.7
133.02971	38.2
134.03769	7.3
135.04539	24.7
137.02481	3.6
148.05305	1.8
149.06085	1.0
150.03221	0.7
151.04008	1.0
152.01094	0.7
161.02455	100.0
162.02887	1.9
166.06363	44.0
167.03525	0.7
167.06740	0.8
177.01979	1.3
177.05573	0.7
178.02699	1.9
179.03502	12.4
181.08711	12.1
190.02762	1.0
191.79419	0.6
193.05096	2.1
211.06075	0.7
219.06575	0.8
221.43398	0.5
267.06641	1.1
269.04514	2.1
277.07227	0.6
285.03961	1.2
297.11383	2.3
327.12198	1.0
354.15802	0.6
355.07886	0.8
357.13409	2.0
375.51132	0.6
397.11389	23.1
415.59268	0.7
417.15454	0.7
579.20923	86.0
580.21362	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	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01382	100.0
60.01714	0.6
61.72708	0.3
61.98834	5.5
71.01385	21.7
72.99316	0.9
73.02955	1.2
75.00843	0.4
82.95417	4.5
83.01390	0.8
85.02954	3.0
87.00880	1.2
88.98812	1.0
89.02450	30.0
95.01402	1.2
96.96021	0.7
97.02983	0.4
99.00901	0.4
99.08187	0.4
101.02451	11.0
113.02455	8.4
116.92882	1.0
119.03506	11.8
119.04329	0.6
125.02513	0.4
131.03560	1.1
135.04538	0.5
137.02484	0.4
143.03522	2.0
143.10808	0.8
149.04597	1.4
155.06639	0.5
161.02571	0.4
161.04561	2.2
161.62260	0.3
165.47362	0.3
179.03467	0.4
179.03963	0.4
179.05624	5.1
179.06981	0.5
191.05669	1.1
194.21548	0.4
224.88063	0.4
237.61906	0.3
243.19759	0.5
247.65736	0.4
253.10194	0.3
303.37552	0.3
303.41937	0.3
325.10043	0.4
357.26407	4.5
447.26160	1.3
539.24457	0.4
579.30438	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	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98630	0.5
69.76019	1.6
71.01392	0.9
85.02954	1.0
95.01419	0.5
100.75296	0.5
101.02419	0.6
109.02949	1.8
111.08368	0.4
113.02469	0.5
121.02990	0.6
121.90453	0.5
123.00883	1.9
125.02472	0.8
137.02461	9.2
137.03494	0.5
149.02422	0.6
150.03229	0.5
150.73314	0.5
151.00385	17.2
151.04016	1.0
152.01074	1.5
152.04768	3.1
164.04852	0.7
166.02725	59.3
167.03516	3.1
175.03966	1.2
177.01959	3.0
177.05527	0.6
181.05080	76.1
182.05432	1.5
182.99054	0.5
190.06279	1.1
191.03532	0.8
192.04266	1.9
193.05116	1.2
205.05042	1.3
205.08748	1.0
207.06613	0.9
221.04735	0.4
259.21393	0.4
301.07281	0.4
329.10385	0.8
357.09659	0.5
359.11490	1.3
371.15042	0.8
387.10867	16.5
387.15839	0.8
388.11130	0.7
402.13162	6.9
403.13641	0.9
417.15576	100.0
418.15958	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	579.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01387	100.0
60.01735	0.6
61.98837	1.2
69.67422	1.8
71.01389	13.5
72.70211	0.5
72.99315	0.7
73.02957	3.0
83.01400	0.9
83.06734	0.5
85.02990	2.5
87.00899	2.5
89.02459	21.9
99.00935	0.6
101.02458	11.0
101.03098	0.6
113.02457	3.5
119.03574	1.4
120.57574	0.5
121.02979	0.9
125.02469	0.7
126.90436	3.0
131.03520	8.0
133.02965	0.6
149.04578	21.9
150.03296	1.5
161.02504	1.7
161.04575	1.0
165.05614	1.4
175.04097	0.7
179.05632	0.7
190.06508	0.8
191.05646	4.7
195.06743	0.5
251.07468	0.7
255.03163	1.6
256.03513	0.9
257.03665	1.0
263.07318	0.8
267.06796	0.8
269.08377	0.8
279.06714	0.9
281.08432	2.0
283.02588	3.1
283.10068	0.7
284.02945	3.6
285.03970	4.8
286.04446	4.1
287.04559	4.9
293.08743	1.4
294.09091	1.3
297.07819	5.6
297.11014	0.8
309.07794	8.4
309.11383	2.3
311.09717	0.8
312.10007	5.9
323.09375	1.0
324.10104	7.8
327.12399	31.3
328.12717	1.2
339.12378	29.4
340.12888	1.2
387.20389	1.2
431.09882	1.9
432.10068	3.0
433.10379	4.3
485.29987	0.6
519.24445	13.9
520.24976	0.7
579.15564	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	579.209
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.30693	0.9
57.02595	0.7
59.01388	9.2
60.75057	0.6
61.98843	3.5
70.26631	0.6
70.87592	0.8
71.01389	6.1
73.02950	2.4
75.00883	7.6
80.56325	0.7
82.95438	0.8
83.01408	0.7
85.02966	2.0
87.00869	1.1
89.02457	4.5
93.03473	0.8
95.01413	0.9
99.00893	0.7
101.02454	4.9
109.02972	2.0
113.02466	2.3
119.03478	0.8
123.00909	2.4
125.02439	1.4
133.02962	1.5
135.04509	1.6
137.02478	10.8
149.04579	0.9
149.27145	0.6
150.03168	0.9
151.00385	17.0
151.03995	1.7
152.01132	1.5
152.04805	3.3
159.04498	0.9
161.02472	3.0
161.04607	1.8
164.04834	0.6
165.01996	1.7
166.02730	59.7
167.03488	3.3
175.03979	1.3
177.01950	3.4
177.05588	1.0
179.03442	1.4
181.05084	68.8
182.05379	1.4
190.06345	1.2
191.05666	0.9
191.30583	0.7
192.04297	1.1
193.05067	1.3
205.05170	1.2
207.06606	1.6
285.04041	1.4
343.21109	1.7
359.11145	1.3
367.91928	0.7
371.15271	0.8
387.10846	15.9
402.13339	7.3
417.15594	100.0
417.24792	2.4
418.15802	5.9
519.24731	2.4
566.08600	0.7
579.29968	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	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33099	0.5
59.01379	15.3
61.98822	1.9
65.62584	0.6
70.37214	0.7
70.43332	1.5
71.01012	1.0
71.01384	10.6
72.54395	0.6
72.99316	1.3
73.02949	2.4
75.00892	1.0
81.55669	0.6
83.01405	0.9
85.02969	3.6
87.00873	1.1
87.29272	0.5
89.02443	5.6
93.03471	0.9
95.05085	0.6
101.02457	6.6
105.03445	1.2
109.02953	0.8
113.02446	3.7
116.24419	0.7
117.03511	1.2
119.03519	1.9
120.99660	0.8
121.02977	12.6
132.02211	1.8
132.83720	0.6
133.02971	38.7
134.03760	8.9
135.04538	23.3
136.01695	5.0
137.02428	3.2
139.03984	0.8
151.04047	7.7
155.10841	0.9
161.02461	100.0
161.04610	2.6
162.02808	1.8
166.06364	45.2
167.06728	0.7
175.04076	0.9
178.02557	0.8
179.03516	12.7
179.05434	1.4
181.08710	14.3
191.05586	1.0
277.07196	0.8
297.92307	0.8
312.11816	0.7
328.18045	0.7
342.10898	0.7
343.21130	0.7
357.13443	11.7
397.11407	23.4
417.25110	2.3
447.26526	3.9
533.26111	2.0
579.20953	98.4
579.30103	9.2
580.21277	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	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.8
61.98839	7.2
71.01382	8.6
71.03030	1.0
73.02957	3.5
83.01385	1.7
85.02976	3.8
85.06588	1.1
87.00920	0.8
89.02454	7.7
95.01405	1.3
96.22822	0.7
99.00898	1.8
101.02459	7.1
109.02966	2.5
111.00957	1.3
113.02452	3.4
119.03545	1.0
121.03010	1.0
123.00858	1.6
125.02474	1.4
131.03513	0.9
133.03004	1.8
137.02466	8.4
149.02457	2.6
149.04617	2.3
150.03220	1.6
151.00392	15.2
151.04027	1.3
152.01155	2.4
152.04822	3.0
161.02437	1.7
161.04549	2.0
163.03923	1.0
165.05579	0.9
166.02731	55.3
167.03412	2.4
175.02525	0.8
175.04070	1.1
177.01933	2.7
179.03523	4.1
180.04012	1.0
181.05095	65.4
182.05429	1.2
189.98814	0.8
191.05670	0.9
193.05090	1.2
194.05887	3.0
195.06342	1.9
205.05003	1.0
207.06749	1.1
209.08199	4.9
210.08559	3.0
211.08739	1.5
243.02872	1.4
255.02945	1.8
271.02591	5.2
283.02658	1.6
285.04031	3.7
299.01913	3.7
300.02649	5.0
301.03561	5.4
303.13376	1.3
359.11426	1.1
374.13239	0.9
387.10880	14.7
402.13126	7.3
417.15588	100.0
418.15933	4.6
447.09323	13.2
519.24500	24.0
520.24530	1.5
555.06952	0.8
579.13422	4.2
579.21344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.7
55.56258	3.6
57.03452	4.0
59.01390	83.7
59.72998	3.8
61.98833	29.0
67.00290	4.3
69.48776	18.3
71.01400	45.5
71.12657	3.8
72.99285	7.7
73.02950	44.2
83.01378	10.7
85.02955	20.2
87.04519	5.9
89.02451	48.2
99.00869	10.2
101.02471	56.7
113.02457	13.1
116.92860	4.8
119.03506	16.5
119.05003	7.2
135.04518	7.2
138.68703	4.6
139.00320	4.3
161.04565	37.7
163.03989	5.3
179.05695	7.9
181.05037	5.2
191.05672	6.3
214.90923	4.9
269.04526	8.7
271.05161	5.7
326.95761	4.9
411.20358	5.3
417.15796	6.8
417.24976	100.0
418.25565	10.9
485.45117	5.1
523.05237	4.5
543.24420	67.5
544.24719	7.4
579.21643	24.8
579.30328	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00867	6.1
59.01386	82.6
61.98840	49.1
71.01388	47.9
73.02953	41.8
73.03309	5.2
74.47227	5.3
83.01388	8.1
83.03994	5.8
85.02958	24.6
87.00876	6.7
89.02454	35.2
99.00848	13.1
101.02451	41.7
113.02447	17.4
117.62016	5.9
119.03518	17.3
131.03477	10.1
135.04489	8.1
149.04604	7.7
156.38184	5.5
161.02498	8.1
161.04576	27.6
191.05583	10.6
206.12418	7.0
237.40599	6.6
266.37543	5.5
270.04578	6.2
280.04443	5.5
417.15945	8.6
417.25021	100.0
543.24512	84.3
544.24170	6.7
579.21735	34.2
579.30414	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63099	0.4
55.01885	3.2
57.03456	2.2
58.00616	0.4
59.01387	29.9
69.03485	0.5
69.08255	1.0
69.08649	2.5
71.01391	27.1
72.99329	0.5
73.02956	12.0
75.00904	1.5
83.01397	7.7
85.02961	15.9
85.03468	0.8
86.00134	1.5
87.00892	2.5
89.02460	8.2
95.01411	2.9
97.02995	0.8
99.00896	4.1
99.04520	0.5
101.02457	25.2
111.00921	1.8
113.02464	11.7
119.03525	2.8
121.02962	3.2
122.03764	0.7
124.74356	0.4
125.02477	0.9
125.38108	0.5
129.02013	0.8
131.03517	0.5
133.05115	1.2
135.04565	1.5
143.03539	1.1
157.05098	0.5
159.03015	1.5
161.04573	6.7
166.06372	33.8
167.07149	4.5
168.55405	0.5
168.95930	0.5
179.05675	0.8
181.08725	42.1
191.05882	0.5
235.08206	1.0
251.09456	0.5
260.43210	0.5
343.14008	100.0
344.14395	3.5
361.90564	0.5
389.57990	0.6
401.63153	0.5
417.17654	9.2
418.17899	0.6
579.22986	55.1
580.23615	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	579.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	100.0
66.90928	29.2
69.78561	87.9
69.78918	32.4
78.95925	44.8
84.61254	30.8
105.46949	30.5
128.51138	35.0
129.66125	34.8
145.02975	97.5
161.53076	31.2
182.22635	35.2
217.64621	31.4
261.74567	35.4
307.19028	39.6
333.82764	31.7
350.95575	35.4
384.00854	33.4
438.49158	33.3
579.24121	43.8
579.32538	40.7
580.66473	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.7
61.98833	12.4
71.01385	14.5
71.41881	1.0
73.02950	4.9
77.19898	1.0
83.01373	1.1
85.02969	5.2
85.06584	2.2
87.00901	1.5
89.02454	10.6
95.01379	1.2
96.96002	2.2
99.00875	2.2
100.07752	1.1
101.02443	10.2
109.02995	4.6
111.00871	1.3
112.98799	1.2
113.02464	4.3
114.38405	0.9
115.04077	1.3
116.92863	1.3
119.03500	1.6
121.02983	1.3
123.00883	2.6
123.46413	0.9
125.02457	2.4
131.03516	2.5
133.02956	1.6
135.04529	2.0
136.01622	0.8
137.02457	10.8
139.00375	1.0
149.02438	0.8
149.04601	3.6
151.00388	19.5
151.04051	2.8
152.01195	2.4
152.04785	3.0
153.01939	0.9
159.03151	0.9
159.04515	1.0
161.02475	1.2
161.04555	2.1
165.01945	1.1
165.05591	1.6
166.02731	54.2
166.06525	1.3
167.03394	2.1
170.40402	0.8
175.02557	1.1
175.03955	2.0
177.01932	3.2
179.03549	5.2
180.03899	1.9
181.05092	74.9
182.05423	1.9
190.06400	1.6
191.05690	1.7
192.04320	1.8
193.04994	2.0
194.05884	4.1
195.06326	1.9
196.06351	1.0
201.14291	0.9
203.03613	1.3
205.05099	1.5
205.08784	1.2
209.08165	5.5
210.08569	3.5
211.08684	2.2
227.03479	1.0
250.38695	1.0
255.03059	3.6
271.02563	10.8
283.02618	4.3
284.03296	1.2
285.04086	6.1
293.08740	1.0
299.02090	5.7
300.02789	8.3
301.03656	9.4
327.12503	2.0
359.11533	2.4
373.12939	1.0
387.10849	16.6
387.20132	2.7
388.11172	1.0
402.13220	8.2
417.15585	100.0
418.16040	6.4
432.06653	1.2
447.09412	26.1
448.09970	1.6
519.24500	31.7
520.25085	2.1
579.13934	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	579.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06227	2.4
57.03445	11.3
59.01382	63.6
61.98834	12.3
70.30656	6.3
71.01395	45.0
73.02944	10.8
81.03481	2.3
83.01397	7.0
85.02952	12.1
87.00874	5.2
89.02454	49.5
95.05045	2.7
97.03017	3.2
99.00874	4.5
101.02444	29.6
107.48920	2.7
109.02957	8.4
111.00880	5.5
113.02472	12.4
119.03524	6.4
121.02937	5.5
123.00880	3.3
123.04485	6.5
125.02455	76.5
126.02820	12.5
127.02916	7.7
131.03516	19.1
137.02441	17.6
138.02840	3.5
149.02458	10.2
149.04594	30.1
150.03247	4.7
151.00398	6.9
151.03981	10.0
152.08371	3.9
153.01932	12.3
159.52734	2.9
161.02444	11.2
161.04543	4.8
162.02792	4.9
163.00522	2.7
164.01192	4.3
165.01895	4.0
165.05545	3.0
166.02695	9.4
175.04059	5.3
177.01955	5.9
177.29668	2.6
179.03473	4.5
181.05084	13.5
188.04567	3.2
191.05679	9.3
198.30667	2.5
203.07161	3.0
203.35228	2.6
233.56664	2.8
239.75476	3.8
245.08214	4.9
264.95862	2.6
285.04022	11.2
289.07321	21.4
290.07507	11.9
291.07800	13.9
303.05093	6.0
387.10590	5.4
387.20166	8.6
407.07742	4.5
408.07980	10.9
409.08197	18.2
417.15573	19.7
425.00201	2.8
426.09290	2.8
427.09348	6.3
453.10907	3.1
519.24512	100.0
520.24811	6.9
579.13550	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	579.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12844	1.1
57.03460	1.6
59.01383	100.0
61.98833	1.4
64.83557	1.2
66.90705	1.1
67.43666	1.3
69.15166	6.3
71.01388	27.1
72.99304	1.8
73.02943	6.1
85.02955	4.2
87.00896	2.0
89.02454	44.1
92.81348	1.2
101.02452	18.6
111.22997	1.3
113.02457	5.7
119.03506	3.0
121.02927	1.2
126.90431	3.6
131.03500	18.6
133.02951	6.3
135.04517	3.6
149.04570	44.4
150.03233	1.6
161.02458	11.6
161.04539	2.5
163.11501	1.3
165.05568	2.1
166.06346	2.0
175.04036	1.3
175.70534	1.1
179.03568	1.3
190.06422	1.2
191.05632	8.8
195.06734	1.3
224.85329	1.1
255.02927	1.5
269.08255	1.7
281.08408	2.3
283.02567	1.8
283.15771	1.4
284.03082	1.8
285.03656	3.7
286.04193	1.5
287.04727	2.6
297.07700	4.2
309.07751	8.5
309.10999	2.0
311.09747	1.8
312.10043	4.1
324.10052	6.1
327.12415	24.5
328.12714	2.1
339.12402	22.2
340.12671	2.2
387.20172	1.8
432.09943	1.5
433.10431	4.3
518.63568	1.3
519.24475	16.6
550.47656	1.4
579.20245	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	579.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03447	1.3
59.01390	23.1
61.98843	3.1
62.22763	0.3
66.92585	0.3
69.03459	0.8
69.54204	0.8
69.54593	1.0
70.57855	0.4
71.01394	20.3
72.99322	2.2
73.02956	5.8
75.00887	0.6
78.66548	0.4
81.87764	0.3
83.01403	3.3
85.02962	8.2
87.00886	6.5
87.04507	0.4
89.02456	10.4
93.03526	0.4
95.01382	1.3
96.96027	0.5
97.02966	0.9
99.00867	2.2
101.02458	16.2
105.01978	0.4
109.02985	0.8
111.00903	1.1
112.98811	1.0
113.02458	8.0
115.92067	0.5
119.03514	4.4
121.02985	0.4
124.01709	0.4
125.02483	2.4
130.99873	0.5
131.03526	1.2
133.02966	0.9
135.04556	1.1
137.02531	0.4
139.11230	0.4
142.95392	0.3
143.03516	1.8
149.00941	0.8
149.04572	0.5
159.03040	0.8
161.02470	1.3
161.04573	5.9
166.06374	0.4
179.03938	0.4
179.05597	5.4
191.05656	0.7
194.06500	0.4
211.03693	0.8
221.06705	1.4
233.06691	0.5
245.06696	1.0
263.07770	1.5
267.19901	0.5
285.04053	1.0
285.20734	18.9
323.10083	0.6
327.12643	0.6
327.21530	0.7
417.24982	7.3
429.24881	3.7
447.26050	100.0
448.26331	3.9
579.30359	11.0
592.70178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14304	0.5
54.20644	0.5
56.79715	0.5
57.52572	0.5
59.01392	1.0
61.98836	9.1
63.54755	0.5
63.96229	1.2
67.76649	0.4
69.03445	0.6
70.21393	0.4
71.01384	6.2
73.02949	1.4
78.95911	0.8
78.98594	6.7
79.95739	9.4
80.96523	65.6
81.03461	0.7
85.02942	2.7
87.00867	2.3
94.98103	16.2
96.95993	1.6
97.02961	1.5
101.02479	2.6
106.98081	2.4
109.90383	0.5
122.97583	5.6
125.02461	2.7
125.95456	0.5
134.97603	4.7
136.99158	1.1
148.99184	5.3
152.98668	7.3
160.96048	0.5
164.98645	10.1
169.19264	0.6
182.99707	2.5
206.99663	2.1
209.52466	0.5
221.57797	0.5
225.00755	15.0
243.01848	1.2
244.92778	0.5
279.23416	3.2
284.48352	0.5
299.04431	1.9
579.28479	100.0
580.28790	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	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45266	1.8
59.01385	1.8
64.31811	1.9
65.69436	1.6
71.01382	6.4
78.95914	2.7
78.98606	5.1
79.95753	11.8
80.96526	66.5
85.02974	2.9
87.00897	2.8
94.98095	16.2
96.96019	21.2
97.22662	1.9
99.05380	1.9
99.44322	1.9
101.02399	3.3
106.98061	2.5
116.33649	1.9
122.97555	2.6
128.37216	1.7
134.97581	3.4
136.99126	2.4
147.69974	1.7
148.99147	5.6
152.98669	5.9
164.98625	10.5
177.17577	1.9
225.00793	11.0
279.23508	2.1
299.04343	3.8
308.91364	2.2
579.28497	100.0
580.28687	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	579.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.1
57.03453	4.5
58.00606	1.3
59.01384	100.0
60.01705	0.7
61.98833	3.7
67.74314	0.5
69.03468	3.2
69.09264	1.9
69.09689	2.2
71.01388	99.8
72.99313	2.4
73.02952	26.9
75.00888	1.2
81.03451	1.5
83.01388	11.3
85.02956	34.0
87.00882	7.6
87.04504	1.0
89.02452	56.6
91.49819	0.5
91.67458	0.8
95.01387	7.1
96.95993	0.6
97.02958	6.3
99.00886	8.7
99.04503	0.9
101.02452	87.7
102.71494	0.6
109.02982	1.0
111.00896	4.4
113.02460	38.6
115.03970	0.7
119.03513	29.9
125.02458	10.3
129.01939	0.8
131.03520	5.7
137.02470	0.7
141.01920	2.0
143.03514	14.0
149.04541	2.8
155.03510	0.8
159.03027	4.3
161.04568	38.9
163.04037	0.6
173.04478	0.7
179.05620	38.3
196.89714	0.6
203.05539	0.6
221.06664	11.6
233.06726	3.1
245.06699	5.6
255.19617	2.5
263.07727	11.1
263.43253	0.6
267.06793	0.7
272.20465	0.6
305.08701	0.7
323.09842	4.8
326.20294	0.6
417.24982	51.6
418.25125	2.2
447.25931	2.1
579.30243	71.7
580.30554	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	579.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
57.03450	1.9
58.00578	1.1
59.01387	59.2
61.98842	5.8
69.03462	1.2
69.16929	5.1
71.01387	48.7
72.99326	1.1
73.02951	10.7
75.00887	1.5
83.01387	4.5
85.02960	15.0
87.00887	2.1
89.02455	28.9
95.01398	3.8
99.00880	3.6
101.02458	30.9
113.02464	16.7
119.03511	10.6
123.04501	1.2
123.24830	1.0
129.01956	3.0
131.03485	1.0
133.02991	1.3
135.04446	1.1
137.02451	2.2
138.57565	1.0
143.03520	2.8
145.93393	1.0
146.03731	1.0
147.36168	1.2
149.04613	1.7
151.00421	5.3
151.04008	1.1
159.03015	1.8
161.02484	2.0
161.04576	10.4
166.02751	15.9
166.06358	3.3
179.05658	4.2
179.07103	1.6
181.03596	1.8
181.05074	21.2
181.08604	2.3
182.05423	1.0
193.04973	1.8
198.26273	1.2
205.05000	1.6
219.10509	1.1
223.06198	2.6
269.04544	6.7
270.04855	3.9
271.05164	4.5
343.21326	2.4
387.10883	3.5
395.80289	1.1
402.13248	2.2
417.15793	33.7
417.24817	27.9
418.25418	1.2
459.13120	1.2
579.21118	4.6
579.30237	100.0
580.31018	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	579.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
57.03446	4.3
59.01387	59.8
59.45210	0.7
61.98833	5.3
69.03463	1.7
71.01390	48.0
72.99314	2.8
73.02954	23.9
75.00872	1.6
77.44524	0.9
79.59830	0.9
81.03482	1.3
83.01396	15.7
85.02956	21.9
87.00899	4.0
87.04513	1.0
89.02457	21.2
89.12758	0.9
95.01409	2.7
97.02955	1.7
99.00880	5.4
101.02454	46.5
102.02816	1.0
103.04028	1.5
109.02957	1.3
113.02463	18.3
115.04034	1.0
115.13121	0.8
119.03503	5.2
120.99669	9.7
125.02472	2.7
129.01964	1.1
131.03568	1.9
132.22684	0.9
133.02966	1.4
135.04530	2.3
139.03914	0.9
140.87770	0.9
143.03520	3.1
143.40591	0.8
149.04533	1.2
155.10802	4.0
159.03021	2.0
159.12868	0.8
160.04031	1.4
161.02464	4.0
161.04578	15.6
163.06172	3.2
166.06261	1.2
179.03516	1.7
179.05592	4.6
191.05600	1.7
197.60292	0.9
199.09720	1.6
205.07301	1.2
229.07272	1.4
247.08286	1.9
278.52118	0.9
285.03967	1.0
299.13846	1.0
343.21704	0.9
373.22321	37.5
374.22534	1.2
417.24884	3.0
447.20847	1.4
447.26822	5.9
519.28192	100.0
520.28723	4.5
579.21069	2.3
579.30237	28.0
580.30170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14642	1.3
55.01875	5.0
57.03447	5.4
59.01385	64.1
61.98832	9.5
65.38699	1.1
67.02240	1.2
68.58352	1.2
69.03463	1.4
70.05363	3.0
71.01387	56.0
72.37359	1.3
72.99327	2.4
73.02956	25.5
75.00877	2.9
83.01390	16.4
85.02962	24.5
87.00883	4.0
87.04493	1.5
89.02456	22.3
93.03459	1.6
93.74590	1.4
95.01384	3.8
96.56915	1.2
97.02965	2.4
99.00906	6.1
101.02456	51.9
103.04034	2.6
109.02938	2.2
113.02464	19.2
119.03514	9.8
120.99656	5.6
121.03010	1.2
125.02461	4.1
129.01929	1.9
131.03494	2.3
135.38695	1.3
136.81804	1.3
143.03508	2.8
145.76297	1.2
146.75841	1.5
149.04488	2.0
155.10809	3.9
159.03006	4.0
161.02554	1.2
161.04576	16.9
163.06168	2.2
164.93225	1.1
179.05626	3.6
180.22128	1.2
191.05664	1.6
373.22391	39.8
417.24789	7.7
447.21237	2.3
447.26205	4.7
454.59390	1.5
519.28223	100.0
520.28137	4.0
560.03821	1.4
579.30298	31.3
580.30328	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	579.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49380	0.3
60.88180	0.4
61.98835	100.0
66.03703	0.4
69.21565	1.6
69.21975	0.9
78.95922	0.5
81.80061	0.4
90.28400	0.4
137.02463	0.5
147.10287	0.4
152.99631	0.7
178.21155	0.4
215.63896	0.4
254.20187	0.4
276.13788	0.6
277.21744	2.4
278.22174	1.1
279.22348	0.8
291.16327	0.5
371.15073	0.5
505.30667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12505	7.8
59.32383	8.0
61.98840	100.0
64.12202	7.1
69.19537	51.3
102.80417	7.5
121.02972	11.0
126.49973	9.1
135.04515	9.0
145.02975	12.1
150.03210	24.3
165.05548	14.5
171.11876	7.8
177.05617	11.6
178.02773	13.2
180.08018	39.5
193.05089	10.4
194.47235	7.5
195.06523	12.0
208.07260	18.8
223.09747	76.8
265.05035	8.9
269.04413	40.9
270.04929	65.0
271.05139	38.9
272.05453	24.8
281.59738	8.0
284.03140	8.8
339.27963	9.0
458.17023	12.3
459.14529	29.5
461.08115	10.1
462.16910	22.4
471.14096	17.5
474.16754	27.4
477.19189	44.4
489.19370	62.0
501.18936	19.9
507.20349	43.8
519.20428	51.2
580.14410	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31424	0.2
59.01382	0.7
61.98836	100.0
65.64246	0.2
70.32715	0.4
71.01388	0.5
79.63728	0.2
88.98843	0.4
89.02465	0.3
93.03448	0.2
95.01407	0.2
101.02496	0.3
133.02950	0.2
135.04547	0.4
137.02452	0.6
149.04628	0.3
165.05646	0.2
166.02693	1.5
167.03098	0.5
168.31357	0.2
177.86905	0.2
181.05037	1.2
182.05437	0.6
191.05614	0.3
232.34756	0.2
256.97302	0.2
307.63870	0.2
380.02658	0.3
418.15863	1.6
520.24951	0.3
545.13232	0.3
592.11676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.4
61.98837	100.0
69.80679	0.8
71.01393	1.5
72.01710	0.2
73.02955	0.4
83.01391	0.2
85.02972	0.6
87.00908	0.2
89.02449	1.3
98.21944	0.4
101.02474	1.2
113.02474	0.6
119.03572	0.2
128.61667	0.2
136.07758	0.3
161.04666	0.2
168.61073	0.2
181.79825	0.2
191.05678	0.3
211.56793	0.2
269.04675	0.8
270.05008	1.4
271.05331	0.8
272.05548	0.6
286.12897	0.3
293.08917	0.7
294.09390	0.3
298.11450	0.3
314.11713	0.4
328.12875	0.3
329.13925	0.5
341.13892	0.2
359.15033	0.5
491.25348	0.3
520.25122	0.6
537.29254	0.7
580.22363	0.7
580.30920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31424	0.2
59.01382	0.7
61.98836	100.0
65.64246	0.2
70.32715	0.4
71.01388	0.5
79.63728	0.2
88.98843	0.4
89.02465	0.3
93.03448	0.2
95.01407	0.2
101.02496	0.3
133.02950	0.2
135.04547	0.4
137.02452	0.6
149.04628	0.3
165.05646	0.2
166.02693	1.5
167.03098	0.5
168.31357	0.2
177.86905	0.2
181.05037	1.2
182.05437	0.6
191.05614	0.3
232.34756	0.2
256.97302	0.2
307.63870	0.2
380.02658	0.3
418.15863	1.6
520.24951	0.3
545.13232	0.3
592.11676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.313
Annotation	Unknow
Peak:m/z	Relative Intensity
79.46500	26.1
83.28945	22.3
91.80360	22.9
96.96015	94.9
101.17837	23.5
136.73770	22.9
141.73631	21.6
146.04070	24.3
279.23337	93.8
293.24863	100.0
321.24194	30.3
326.75928	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42232	0.9
59.01381	13.8
61.98824	3.1
61.99559	0.8
62.93188	0.8
70.33371	1.9
78.95911	5.3
85.00435	11.6
152.99625	1.1
168.04124	1.2
242.07965	1.9
281.24878	100.0
282.25220	3.4
337.71948	0.8
383.45306	0.9
506.32486	27.0
580.28882	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	580.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54355	1.1
57.00070	0.9
59.01384	16.6
61.98830	2.6
70.64570	2.2
78.95910	16.3
79.95754	1.1
80.96520	4.6
94.98106	1.3
99.92142	1.0
152.99611	3.7
167.28551	1.0
168.04347	2.4
224.06943	8.5
239.26260	1.1
281.24878	100.0
282.25198	3.5
346.58652	1.3
506.32584	54.8
507.33246	1.5
580.28900	6.6
585.72302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30627	1.1
59.01386	19.9
68.92706	1.2
71.01391	5.6
71.05565	1.4
80.95100	1.3
85.02991	1.8
89.02469	4.1
95.76093	1.2
101.02426	1.8
113.02440	3.5
119.03529	1.6
121.03047	1.5
123.00899	15.0
123.57475	1.2
125.02490	2.2
126.96622	1.1
137.02496	2.6
138.03232	30.6
147.42805	1.2
153.05597	15.1
166.99867	5.5
181.01457	3.7
182.02216	31.0
191.22591	1.2
197.04559	100.0
211.06117	1.3
224.03265	2.3
225.36688	1.3
239.05629	17.9
259.91522	1.3
269.06815	1.9
299.07727	3.1
359.09854	63.2
360.10590	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	581.1829
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
53.20011	1.2
58.26975	1.3
63.71027	1.3
66.20586	1.4
69.12733	1.6
69.13045	9.7
70.64793	1.3
78.95910	100.0
80.03868	1.6
96.96014	16.2
96.96976	4.5
98.95518	1.8
99.92601	12.5
100.93362	13.8
103.55952	1.4
115.92088	22.3
116.92879	26.2
128.88983	1.4
150.98033	3.4
152.99599	25.9
155.95319	1.9
163.89703	3.6
164.90491	6.6
168.11339	1.6
171.00647	11.4
172.95493	5.8
178.88474	8.6
179.89229	35.1
180.90041	28.0
181.90810	7.1
196.89497	37.0
205.90744	8.6
206.91548	4.0
219.92279	2.5
221.90300	2.7
235.91902	9.6
236.92627	26.6
237.93147	1.6
252.92055	3.4
255.23225	2.4
270.93277	2.8
276.95779	1.7
278.93689	4.5
292.11279	1.6
292.95178	2.9
309.95425	1.9
310.96359	5.1
320.93805	1.4
473.14078	5.3
490.14499	4.5
533.16406	3.1
545.16357	4.2
563.17249	6.9
581.18372	52.5
582.18799	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	581.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12463	0.6
59.64899	0.6
61.98831	3.0
75.00862	0.9
93.03460	3.7
96.96022	1.1
97.67468	0.6
102.31570	0.6
108.02140	0.9
117.72426	0.6
119.05029	1.0
121.02984	5.4
122.03754	15.8
123.04549	1.3
131.05029	0.6
133.02950	1.7
136.01674	1.9
137.02457	1.0
147.04559	2.0
149.02457	23.4
150.03236	100.0
151.03688	2.5
161.02461	0.7
162.03285	1.6
163.04031	0.6
164.04842	4.9
165.05582	90.8
166.05943	1.6
169.86923	0.6
175.04022	17.6
176.04784	1.6
177.05618	1.8
180.04297	6.1
188.04884	1.1
190.06377	8.5
193.05058	1.1
195.06641	43.4
196.06865	0.6
203.03549	1.2
203.07124	0.7
218.05887	6.7
219.06538	1.2
222.05289	5.9
225.05629	0.6
226.06401	0.6
231.06764	0.6
235.07558	0.6
237.05649	1.6
238.06297	3.4
241.04958	0.6
249.05527	1.2
250.06450	0.7
253.05170	1.6
254.05836	1.4
261.05576	0.6
265.05011	1.4
266.05829	4.2
267.02957	0.7
269.08344	0.7
271.05038	0.6
273.84763	0.6
278.05875	5.9
278.10385	0.6
279.06674	1.8
281.04535	2.3
281.08194	2.0
282.05347	1.4
284.03317	0.7
289.51105	0.7
291.06628	0.9
292.07281	0.8
294.05371	1.9
294.08719	0.8
295.06592	0.8
295.09830	2.5
297.07770	1.4
303.18527	0.6
306.05453	4.6
306.08578	1.0
307.06226	3.8
309.04034	4.2
309.07718	2.4
310.04755	3.4
312.06488	0.7
320.06940	2.2
321.07666	15.1
322.05008	1.5
322.08401	2.4
323.09207	6.2
324.06354	5.7
324.10080	3.8
325.07175	11.3
325.10861	0.6
326.07874	1.8
335.09262	1.8
336.10007	8.1
337.07178	13.9
337.10858	3.0
338.07657	0.9
339.08734	11.6
339.12354	1.0
340.09512	7.5
341.10211	2.4
352.09445	3.6
353.10312	1.9
354.11090	9.8
355.11905	25.1
356.12408	1.3
367.11893	39.0
368.12088	1.8
445.13034	1.0
459.14621	0.9
473.12360	2.0
475.83615	0.7
488.14932	2.6
489.15472	1.9
503.17136	17.2
504.17593	0.8
515.17212	2.5
533.18219	26.3
534.18250	2.0
551.19232	15.3
552.19568	0.9
581.20374	21.7
581.29602	1.2
582.21100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25840	1.0
59.01385	1.8
61.98835	11.3
66.54157	1.0
68.99821	13.8
88.98821	2.2
93.03493	1.6
104.02705	1.3
107.01397	1.2
108.02178	28.6
109.02981	5.0
117.03490	1.9
121.02990	1.1
122.03745	4.8
123.00900	9.4
123.04533	29.9
132.02164	4.8
133.02985	2.2
134.03741	2.1
135.04518	1.3
138.03247	22.0
147.04561	2.3
148.01698	3.4
149.02341	1.4
150.03238	19.3
150.05240	0.9
151.04036	0.9
153.05598	2.0
160.01683	3.5
161.02441	12.0
162.03247	26.3
163.04039	11.8
164.04781	2.9
165.05540	5.3
167.03603	1.5
176.01183	10.3
177.01993	5.3
177.05588	43.1
178.02731	32.6
179.03452	3.9
190.06435	1.4
191.03587	1.7
192.04362	1.6
193.05077	100.0
194.05849	18.1
195.06580	2.6
207.06648	1.7
208.03812	1.3
220.07225	1.1
268.07550	4.1
269.04510	2.1
270.05054	2.0
271.05310	2.8
272.05615	1.0
273.05746	1.4
280.07352	1.5
283.09766	2.3
296.06995	1.1
300.31165	0.9
300.57297	1.0
308.07153	1.3
309.07758	2.0
312.06439	3.7
321.07687	1.2
323.09274	3.1
324.06445	2.0
324.10208	2.6
327.08691	8.2
338.11813	1.6
339.08780	13.1
339.12531	1.0
342.11151	8.2
354.11185	3.1
356.12616	1.3
357.13470	15.7
363.37234	1.0
369.13397	13.8
419.07751	1.5
551.19122	1.1
581.20569	35.2
582.20941	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	581.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
60.48454	1.4
61.98838	5.1
66.95587	1.2
69.59474	5.0
80.45731	1.3
93.03439	2.8
110.44451	1.3
121.02961	3.6
122.03761	15.6
133.02936	1.7
135.04573	1.7
137.86363	1.3
149.02441	16.2
150.03233	100.0
151.03574	1.8
164.04796	3.9
165.05582	92.1
166.05997	1.6
180.04294	8.2
195.06638	50.9
196.06937	1.3
238.06271	1.8
254.05826	3.4
256.03741	1.5
269.08328	3.0
282.05359	4.4
297.07742	24.5
299.09348	1.9
305.59711	1.4
312.06500	1.6
324.09665	1.4
325.07181	12.1
326.07953	2.7
337.07278	3.0
340.09705	2.5
355.08221	46.8
355.12521	2.7
370.10550	24.4
385.12955	89.5
386.13202	3.4
386.33047	1.6
521.40027	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	581.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.9
59.01379	1.0
61.98840	7.4
65.00348	0.7
69.06020	1.8
69.06423	3.6
77.35686	0.8
85.51812	0.7
93.03448	4.3
98.06196	0.7
99.04533	2.6
101.02440	0.9
109.02950	0.9
114.01590	0.7
119.05022	1.3
121.02974	4.6
122.03756	17.2
123.04599	1.1
125.02442	2.4
133.02962	1.2
136.01648	0.9
137.02492	0.8
147.04576	1.3
149.02451	16.9
150.03233	100.0
151.00404	2.6
151.03804	1.1
153.01947	6.4
162.03236	1.7
163.00369	0.8
164.04794	2.5
165.05576	97.2
166.05948	2.6
167.59470	0.8
175.04031	10.7
177.01981	1.3
177.05550	1.6
180.04308	7.3
190.06340	5.1
190.99858	14.2
195.06635	52.8
196.07008	0.9
198.73047	0.7
205.01440	1.0
206.02196	4.9
210.06851	1.6
217.05090	0.9
218.05873	6.4
219.06500	1.0
221.06136	1.2
222.05252	3.6
225.05647	0.9
231.06810	1.1
238.06297	3.3
241.04976	1.0
254.05913	2.2
260.06964	1.2
265.04886	1.0
266.05841	4.2
271.06119	3.0
275.09265	8.9
277.05197	1.2
278.05945	6.8
279.06735	1.2
281.04736	1.8
281.08231	2.4
282.05582	1.2
292.07404	1.1
294.05325	1.6
301.48859	0.7
306.05362	4.9
307.06161	4.0
309.04160	1.8
309.07663	2.1
310.04807	2.2
320.07056	1.0
321.07657	15.2
322.04855	1.1
322.08301	3.3
324.06448	2.4
325.07193	16.1
326.07697	0.9
335.09216	1.3
336.10080	8.8
337.07135	13.8
337.10846	3.4
339.08795	6.8
340.09500	8.3
352.09570	5.6
353.09937	0.9
354.11194	4.6
355.11865	28.7
355.16287	1.4
367.11880	43.6
368.11865	1.0
385.12863	2.2
461.10840	3.4
503.17047	1.0
533.17780	1.3
551.19263	6.6
581.20404	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	581.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88803	1.3
59.01377	2.2
61.98848	8.6
61.99126	1.7
68.99818	17.8
69.36632	2.5
69.37036	6.6
80.75320	1.7
96.96004	1.6
100.96682	1.5
107.01423	2.0
108.02181	32.3
109.02940	8.4
117.03476	2.7
121.03003	2.4
122.03745	6.2
123.00898	12.6
123.04529	30.7
132.02187	6.2
133.02969	2.0
136.01648	11.8
137.02457	2.4
138.03235	26.9
147.04596	2.2
148.01686	2.3
150.03221	19.3
151.00424	2.8
151.04015	10.7
153.01944	4.5
153.05443	2.6
160.01625	2.0
161.02469	14.1
162.03233	40.8
163.04037	18.1
164.04790	3.2
165.05626	6.6
166.02745	6.0
167.03569	2.3
177.05594	54.4
178.02724	33.2
178.05995	1.9
179.03503	4.5
181.05066	9.2
193.05074	100.0
194.05835	23.8
195.06628	4.9
355.08102	2.2
357.09607	2.5
370.10687	2.2
372.12115	4.0
385.12851	4.0
387.14395	10.4
401.78018	2.0
551.19513	4.3
581.20422	37.8
582.20697	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	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32701	1.4
54.22020	1.3
57.03464	2.1
59.01380	15.6
61.98829	15.5
62.21143	1.3
69.23762	8.5
71.01385	8.3
73.02953	3.1
75.00874	1.8
83.01402	1.7
83.05034	2.2
85.02965	3.9
85.06609	1.7
89.02452	3.6
90.59169	1.5
95.01394	1.7
96.96038	6.4
98.22660	2.9
101.02449	4.7
103.46963	1.4
105.01986	2.2
108.02188	2.3
109.02983	3.5
109.45407	1.5
113.02457	2.0
119.03552	1.7
121.02972	2.5
122.03772	8.7
123.04592	1.6
124.56557	1.3
125.02457	3.9
127.04013	1.6
134.03749	2.1
135.04568	3.1
135.11801	5.0
149.02385	3.1
150.03233	51.4
151.03963	3.3
152.01166	3.9
161.02455	3.6
161.04527	1.4
161.09711	1.8
165.05576	100.0
166.05818	2.2
167.03450	2.2
167.80981	1.3
177.02022	3.5
177.37306	1.4
179.03539	3.6
179.10786	32.1
187.03989	1.8
190.02708	4.5
193.05042	3.2
196.62952	1.4
201.02000	4.5
203.03494	2.2
203.10828	2.2
209.08244	5.2
213.07716	6.2
218.02164	2.0
223.09744	2.7
247.09785	2.0
257.44247	1.4
262.63834	1.5
285.04144	1.7
289.10742	1.6
307.11658	2.4
321.03772	1.7
341.13904	1.9
344.12698	8.9
359.14981	38.5
360.15680	1.6
367.14026	9.8
449.27292	2.5
505.04263	1.7
551.15247	2.0
581.12567	2.5
581.22235	4.9
581.31622	6.0
581.39496	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	581.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38206	5.6
57.02187	5.7
59.01390	100.0
61.98832	72.9
69.13531	35.4
71.01385	50.0
73.02945	13.1
76.73624	6.1
89.02457	52.1
92.43573	6.5
101.02438	25.7
113.02446	23.4
116.92840	10.7
119.03506	23.3
129.52516	7.1
145.19730	6.9
150.03224	7.2
161.02524	7.8
179.03537	7.7
198.79155	6.1
283.09738	14.9
311.09198	28.7
326.11609	21.0
341.13892	26.9
506.72449	6.7
580.30383	14.3
581.31604	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98830	1.3
62.89956	0.5
63.95054	0.4
65.86267	0.5
69.13236	1.0
69.13646	2.3
71.01391	1.3
71.38094	0.4
73.02992	0.7
79.05077	0.4
79.91482	0.4
101.02437	1.0
108.02086	0.5
116.92852	0.7
121.02995	1.6
128.90213	2.2
137.02525	0.7
149.02464	0.9
150.03229	3.0
161.04527	0.5
164.04834	1.1
165.05589	3.5
180.04378	0.8
190.06450	0.9
195.06567	1.1
205.08711	1.0
208.03813	0.9
208.07419	0.7
218.64883	0.6
223.06181	3.0
241.08847	0.6
265.07129	0.6
269.08252	8.0
281.08347	1.2
283.09726	3.2
298.12253	0.6
299.09219	6.3
311.05951	1.0
311.09277	8.1
313.10806	0.5
314.11597	15.0
325.10724	0.8
326.11624	9.1
329.13956	43.9
330.14359	1.8
341.13950	22.9
341.88110	0.6
359.15134	0.6
389.15845	2.8
397.93530	0.5
502.18066	0.6
521.26056	1.1
581.19330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
63.51071	36.4
64.99967	29.8
66.47334	31.9
66.57932	29.9
67.57530	34.5
70.65894	56.5
77.85013	36.4
82.39028	33.9
108.06122	31.5
109.02724	35.7
308.69434	33.8
310.70538	32.6
395.41095	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03441	0.9
59.01389	8.6
61.98826	1.2
69.03448	0.5
69.38200	1.4
71.01019	0.5
71.01390	6.6
71.01781	0.3
72.99316	0.6
73.02948	2.1
83.01391	1.8
85.02957	2.6
86.00097	0.3
87.00885	4.3
87.49107	0.3
89.02447	1.8
95.01411	0.4
97.03006	0.4
99.00877	0.4
101.02450	3.7
103.00407	0.5
111.00900	0.7
112.98825	1.3
113.02460	1.7
119.03528	0.7
121.03020	0.3
123.04552	0.4
125.02462	0.8
130.99876	0.5
135.04546	0.3
149.00928	0.8
150.03276	1.9
161.04581	0.4
165.01921	0.4
165.05574	4.2
166.97563	0.3
179.03391	0.3
179.10681	0.3
193.05127	0.5
201.01923	0.4
213.07735	0.5
219.03183	0.3
222.31805	0.3
269.04752	0.3
269.21249	1.2
287.22321	17.2
288.22665	0.4
299.22525	0.3
344.12686	0.8
359.14920	3.1
431.26523	3.6
449.27603	100.0
450.27954	4.6
479.15897	0.3
581.28943	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	581.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
55.20493	1.9
57.03434	4.0
59.01387	52.6
61.98841	23.8
68.47277	1.9
69.03460	2.7
69.15799	12.3
71.01385	44.6
72.99333	2.5
73.02950	16.4
82.02985	6.2
83.01389	3.8
85.02959	15.5
87.00893	5.8
88.98835	2.6
89.02457	28.7
93.03468	3.1
95.01395	3.6
96.96019	8.2
99.00891	6.4
101.02460	33.1
105.01942	3.3
111.00915	3.2
113.02489	12.0
115.04050	2.4
118.50381	2.0
119.03521	3.5
125.02492	3.9
130.44096	2.0
131.03510	7.0
134.03758	4.2
135.04514	2.9
137.02478	5.5
138.05617	4.6
143.03520	2.5
149.04567	10.5
155.10829	14.8
161.04576	10.3
179.03586	3.0
183.71518	2.2
191.05634	4.6
197.11641	2.1
199.09758	2.5
222.12625	1.9
233.06667	5.5
233.09251	3.5
272.37833	2.2
287.10452	10.1
293.08847	6.9
389.21957	15.9
390.22156	2.3
447.13986	5.1
449.20111	16.3
521.26086	100.0
522.26263	6.6
581.20111	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	581.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25842	0.4
61.98837	100.0
68.62020	0.4
71.40423	0.5
72.98901	0.4
78.78654	0.5
78.95924	1.1
79.79977	0.4
94.53213	0.4
152.99730	0.5
272.92487	0.5
279.23361	1.8
280.23685	0.9
339.19528	0.5
504.31244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73860	0.4
61.16444	0.4
61.98837	100.0
69.28931	0.4
77.36526	0.3
79.75067	0.5
82.96106	0.4
87.17997	0.4
128.21370	0.5
279.23352	2.2
280.23746	0.6
301.36557	0.4
355.17230	0.5
504.31235	0.7
581.27875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
60.01711	0.3
61.98835	100.0
67.52689	0.2
69.37022	0.4
69.37421	0.7
71.01376	0.4
83.63191	0.3
85.30029	0.2
86.08475	0.2
89.02423	0.3
93.39812	0.3
105.01955	0.3
150.03279	0.7
158.59714	0.3
162.03207	0.7
165.05612	0.5
177.05617	0.5
178.78017	0.3
195.06689	0.6
246.88536	0.2
247.36752	0.3
255.26213	0.2
260.22278	0.3
383.25308	0.3
432.57968	0.2
454.88336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40944	1.4
57.57077	2.0
59.01382	99.6
61.25769	1.6
61.40201	1.6
61.98825	15.7
69.03453	4.1
71.01380	32.3
71.41550	1.7
73.02950	6.7
74.43573	1.5
79.70127	1.7
80.90552	1.5
81.03455	3.4
83.01402	7.8
85.02946	17.8
87.00876	21.1
88.56144	1.7
89.02459	12.5
95.01392	4.4
96.96011	2.0
97.02960	9.5
99.00871	7.1
99.04517	2.0
101.02457	24.9
108.02203	3.0
109.02917	4.0
111.04501	2.0
113.02438	15.8
119.03490	4.3
121.02983	2.3
123.00872	6.1
124.01716	2.5
125.02454	77.1
126.27451	1.6
127.03923	1.8
128.05038	5.1
130.06635	84.8
133.02940	3.7
135.04512	3.0
136.04863	2.1
139.04065	7.7
141.01962	3.4
143.03491	16.6
146.06093	9.5
149.02382	3.3
150.03212	3.6
156.04553	6.6
161.02434	6.8
161.04558	34.9
162.02818	5.4
165.05556	6.0
166.06186	3.5
167.03502	6.4
172.07655	5.4
174.05609	97.1
176.01097	1.9
179.03731	1.9
179.05605	7.7
185.04549	10.0
190.02681	1.7
193.04988	1.9
195.06621	2.7
203.05647	5.5
216.06691	9.4
221.06604	13.4
223.06113	2.6
224.06487	1.9
265.07111	2.3
287.07742	8.5
305.08789	36.5
323.09839	100.0
324.10242	1.9
341.10834	4.3
360.15201	5.6
365.10870	56.3
383.11935	13.6
425.13391	8.2
462.14249	4.2
480.15097	14.9
497.17801	1.7
522.16193	5.7
582.21619	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	582.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31934	0.5
50.51204	0.4
50.79077	0.5
59.01389	4.0
61.98837	100.0
69.25933	2.8
71.01405	2.4
73.02965	0.8
78.91901	0.6
80.91672	1.0
85.02971	0.9
86.62393	0.6
89.02458	1.8
93.03510	1.1
99.00888	0.7
101.02476	0.9
113.02468	1.2
115.59023	0.5
127.29330	0.5
133.02902	0.6
137.02470	1.1
160.04175	1.5
161.02663	0.6
174.65425	0.5
186.05637	1.3
188.03549	4.6
198.22148	0.5
216.59656	0.5
224.20995	0.5
230.04665	0.8
285.03864	0.6
295.35947	0.5
524.98499	0.5
525.16541	0.6
569.88129	0.5
582.24408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	2.6
59.01384	95.6
60.01691	2.0
61.98832	7.9
66.49124	1.7
69.03458	7.1
71.01388	31.2
73.02950	6.5
75.00882	5.2
81.03464	3.2
83.01386	9.3
85.02960	16.8
87.00890	14.7
89.02451	12.0
90.09219	1.7
95.01394	4.3
97.02950	12.9
99.00900	5.7
101.02455	25.4
108.02227	2.0
108.51018	1.7
109.02945	6.1
111.00915	1.7
113.02483	18.7
115.03996	1.9
117.51617	1.8
119.03539	2.8
121.02940	3.4
123.00887	4.9
124.01718	2.3
125.02457	85.1
128.05074	5.7
130.06639	81.8
131.92307	1.8
137.02464	2.3
139.04045	7.0
141.01974	3.7
143.03499	23.5
146.06131	11.5
149.02457	2.9
150.03210	1.8
156.04562	8.2
161.04556	29.8
165.05634	3.3
167.03499	5.8
172.07690	5.1
174.05615	100.0
175.05951	3.4
179.05595	5.7
179.10849	3.6
180.12396	2.3
180.48677	1.9
185.04535	4.6
203.05603	5.9
213.03770	1.8
216.06673	8.5
221.06703	6.8
223.09741	8.0
245.06778	3.3
265.70422	1.9
287.07675	8.0
293.08743	2.2
305.08810	38.4
315.96005	1.8
323.09848	91.8
324.10342	3.3
341.10736	2.6
360.15048	2.3
365.10883	65.1
366.11191	3.5
383.12012	13.1
385.15036	5.5
425.13080	6.9
462.13916	5.6
480.15088	14.5
522.16315	4.1
582.28888	2.5
584.74164	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	582.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36842	2.8
58.03436	2.4
59.01384	5.5
61.98837	100.0
67.26619	2.4
71.01391	3.3
96.96010	5.9
105.37873	2.9
118.96107	2.6
123.84632	2.8
131.75331	2.4
148.92575	2.7
149.02458	31.2
150.03236	9.5
163.04019	3.5
164.04822	7.0
165.05597	16.5
167.07216	2.7
175.03976	6.3
190.06425	5.0
191.06967	6.1
195.06601	11.2
205.08670	3.8
206.09157	4.0
208.07433	9.0
209.07869	3.2
224.55209	3.1
253.11009	3.0
314.11646	13.7
329.13956	81.1
377.16086	37.2
389.16241	15.9
390.16409	30.4
409.46204	2.9
419.10754	3.1
420.11630	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	582.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98837	100.0
69.35052	1.2
71.01379	1.3
77.69400	0.3
85.02980	0.5
87.00908	0.4
88.15827	0.3
89.02463	1.2
96.96016	1.0
97.03014	0.3
101.02463	0.7
105.83372	0.3
113.02476	0.3
115.80067	0.3
132.22383	0.3
149.04665	0.3
214.09090	0.3
319.82489	0.3
442.91458	0.3
521.25641	0.5
522.26318	2.5
535.27966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98837	100.0
69.35052	1.2
71.01379	1.3
77.69400	0.3
85.02980	0.5
87.00908	0.4
88.15827	0.3
89.02463	1.2
96.96016	1.0
97.03014	0.3
101.02463	0.7
105.83372	0.3
113.02476	0.3
115.80067	0.3
132.22383	0.3
149.04665	0.3
214.09090	0.3
319.82489	0.3
442.91458	0.3
521.25641	0.5
522.26318	2.5
535.27966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
60.93417	0.2
61.83617	0.2
61.98835	100.0
71.01402	0.4
89.02510	0.3
93.85471	0.2
101.02461	0.2
101.50735	0.2
113.02512	0.2
137.02472	0.3
149.02486	0.7
176.66817	0.2
180.04260	0.2
195.06656	0.4
210.17712	0.2
218.45302	0.2
314.11691	0.4
327.32867	0.2
329.13943	1.2
377.16235	0.5
390.16608	0.3
401.41083	0.2
481.33484	0.2
515.52643	0.2
522.26129	0.3
524.20013	0.2
572.27747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
61.98838	100.0
66.86474	0.3
71.01363	0.5
71.43706	0.4
72.30473	0.4
74.02470	0.4
81.33504	0.4
82.95464	0.4
83.75918	0.4
85.02966	0.6
89.18940	0.4
89.73554	0.4
96.96048	0.5
101.02485	0.4
113.02401	0.4
141.71521	0.4
152.86877	0.4
191.05728	0.7
195.18399	0.4
336.53058	0.5
604.23322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17877	0.5
52.63754	0.4
59.01382	1.4
60.99321	0.5
61.98835	100.0
71.01418	0.8
71.54301	0.5
88.98814	1.3
89.02474	0.5
101.02495	0.6
107.01458	0.6
109.02950	0.6
113.02505	0.4
123.04518	0.7
131.71445	0.5
135.04529	0.8
148.48758	0.5
150.03238	1.0
151.00386	0.5
152.01184	0.7
153.01929	0.5
161.02576	0.7
162.03334	0.7
165.05598	0.6
177.05568	0.7
183.10349	0.6
206.02179	0.5
268.03751	1.0
269.04523	8.0
270.04901	5.8
284.06516	0.6
425.35065	0.5
522.82501	0.5
582.13348	9.8
582.32275	0.7
583.14185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01254	1.2
50.66483	1.1
50.67009	1.1
50.68520	1.2
52.43290	1.2
53.70184	1.2
59.01383	16.8
69.09164	8.0
78.95920	19.4
94.60253	1.2
96.96031	2.8
102.73227	1.2
152.99602	3.5
168.04301	3.5
224.06908	8.2
242.08054	1.5
283.26443	100.0
284.26797	3.3
342.90335	1.2
476.42914	1.6
508.34155	69.7
509.34357	3.9
510.50986	1.4
583.19690	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	583.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.7
64.28843	0.6
65.03223	0.7
69.67231	2.0
73.02953	1.2
98.21903	0.8
115.00832	0.7
117.66254	0.7
121.22119	0.7
154.99112	0.6
163.24275	0.7
163.75146	0.7
168.78497	0.8
187.21463	0.8
208.21448	0.7
357.05835	0.8
366.27893	0.6
390.95181	0.7
452.11292	11.4
466.12891	2.9
467.13455	6.5
479.17343	2.4
480.18442	3.1
481.15298	2.0
483.20239	1.5
495.13107	13.3
495.19617	0.6
496.13156	4.6
509.14713	2.7
510.15494	48.0
511.15485	7.1
524.17316	3.3
539.19409	2.6
542.14435	2.8
568.16089	2.5
583.18408	100.0
584.18597	9.3
595.38159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
57.03448	3.2
59.01383	85.9
61.98819	1.7
62.11989	1.0
63.61203	1.1
67.01871	1.2
69.03454	5.0
69.48077	4.2
71.01389	62.8
72.99316	1.7
73.02953	5.1
81.03467	2.1
83.01386	5.2
83.05026	3.8
85.02959	14.3
87.00908	5.5
87.04518	1.7
89.02449	63.8
95.01395	7.7
96.96025	7.3
97.02970	1.5
99.00864	1.8
101.02455	30.4
109.02900	1.4
111.00887	2.4
111.04524	6.5
112.01682	18.7
113.02456	48.3
115.04081	1.3
115.79135	1.1
119.03503	24.6
121.02969	5.9
123.04556	1.2
125.02433	2.8
126.78198	1.2
127.04020	5.2
131.03508	19.2
137.02402	1.4
143.03516	6.7
143.04440	1.2
147.04608	1.2
149.04532	2.6
152.92896	1.2
155.03467	3.1
156.00934	1.2
161.04552	12.3
161.88042	1.0
173.04610	4.4
174.40706	1.1
177.02045	1.6
178.78265	1.3
179.05637	14.6
209.04503	3.4
275.07751	100.0
276.08112	3.8
293.08774	4.5
307.10330	3.9
320.82019	1.2
328.09668	1.3
343.11975	2.9
391.14209	2.5
551.15576	1.5
567.57574	1.2
609.13110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08792	2.7
60.18209	2.3
61.98835	2.6
84.07126	2.6
87.07301	2.6
119.05041	9.7
125.91879	2.3
143.04953	3.8
145.02914	2.9
149.27490	2.1
149.75520	2.2
162.37454	2.3
170.58974	2.1
185.06137	2.6
194.64215	2.9
201.01945	5.6
227.03381	2.8
229.01422	47.7
229.04994	5.0
241.01421	6.6
267.06543	2.9
271.02563	7.7
271.06119	2.7
281.08112	2.9
284.06958	5.9
351.16107	19.2
353.13959	70.6
369.17236	4.0
377.13757	2.8
393.16992	9.5
395.14926	8.5
419.14880	3.1
437.15833	7.3
497.19449	3.2
539.20587	4.5
553.72888	2.6
583.19684	100.0
584.20001	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	583.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	2.8
73.23858	1.6
75.15530	1.5
77.18811	1.7
96.93397	1.9
98.21870	2.6
116.26057	1.6
119.05050	11.5
143.05025	4.8
144.50937	1.8
145.02881	2.0
151.00348	2.6
163.70601	1.6
185.06061	2.3
187.03961	3.6
201.01881	4.1
228.00784	2.2
229.01430	46.7
229.04939	1.9
230.01939	1.9
230.62489	1.7
237.09213	3.6
239.07213	4.1
241.01372	5.9
267.06580	2.7
271.02530	8.3
281.08182	3.0
283.02475	2.8
284.06821	6.6
302.81067	1.8
351.16135	15.7
353.13931	71.2
354.14252	3.6
369.16956	3.1
393.17075	9.0
395.15027	11.8
419.14752	3.2
437.16040	7.7
539.20630	2.1
583.19757	100.0
584.20013	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	583.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.2
57.59089	3.5
70.54968	4.8
70.55293	5.3
73.44496	3.5
76.12168	4.3
78.95914	100.0
92.00340	3.8
96.96024	18.1
96.96974	5.5
98.95615	4.7
99.92605	9.9
100.93403	19.8
106.74438	3.3
115.92082	25.7
116.92869	31.6
135.23843	3.3
150.98068	6.8
152.99608	46.4
169.12427	3.1
169.13873	3.1
171.00616	6.3
172.95520	9.4
178.88408	4.3
179.89253	30.2
180.90019	20.6
181.90700	3.4
196.89551	37.7
205.90811	8.4
235.91838	11.4
236.92670	29.6
252.92058	4.1
255.23381	14.5
279.23306	6.3
407.46799	3.8
475.15536	11.5
492.16141	9.8
535.17426	7.1
547.17981	8.0
583.19806	98.8
584.19806	4.5
605.39172	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	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
61.98839	1.0
70.10458	0.8
70.10807	0.5
77.45691	0.3
81.86496	0.3
93.03456	3.3
95.05054	0.7
98.21956	0.5
99.00939	0.4
105.03467	0.4
108.02162	1.1
121.02954	6.3
122.03750	16.1
122.04642	0.8
123.04553	0.9
124.01712	0.5
132.02173	0.9
133.02994	1.5
134.03726	0.7
135.04556	0.8
136.01660	1.3
137.02480	0.5
146.03868	0.4
147.04533	0.8
149.02448	30.1
150.03227	99.4
151.03752	1.3
152.86581	0.5
153.05568	0.6
159.04495	0.5
160.01651	0.8
162.03241	0.7
163.04008	0.5
164.04803	6.3
165.05573	100.0
166.05939	1.5
175.03989	0.9
177.05515	2.6
179.07176	0.6
180.04279	6.9
190.06403	0.9
192.07884	0.6
195.06624	51.7
196.06970	0.9
203.07201	0.5
224.06892	0.6
239.07253	0.6
240.07973	0.8
252.07845	0.4
253.08582	0.7
256.07391	0.5
267.06509	0.7
268.07440	1.9
271.09625	0.4
279.10361	0.6
280.07401	1.0
281.08231	0.4
283.09662	1.7
284.06985	0.6
294.05252	0.5
294.09131	0.7
295.06085	0.6
295.09604	0.6
296.06946	0.8
297.07864	0.8
297.11337	1.5
299.09323	0.7
307.09702	1.3
308.06891	1.3
308.10599	1.9
309.07690	2.1
309.11005	0.5
310.08466	0.4
311.09247	1.1
311.12753	0.4
312.06445	2.6
313.10767	0.5
322.08365	0.8
323.09329	3.1
323.12680	0.7
324.06717	0.7
324.09976	1.8
325.07205	0.8
325.10730	3.3
326.08026	0.6
326.11536	4.3
327.08716	6.9
327.12143	0.4
328.09131	0.4
337.10785	0.9
338.11591	1.1
339.08728	9.2
339.12369	1.6
340.09094	0.4
341.10104	0.5
341.13858	1.0
342.11075	6.1
343.11649	0.7
354.11075	3.2
356.12540	0.6
357.13437	22.4
369.13416	22.4
370.13596	0.7
447.14609	0.6
457.12958	0.8
461.16092	1.2
472.15143	0.7
475.17880	0.6
487.17502	1.3
489.15411	0.5
490.16592	0.5
505.18805	7.0
506.19476	0.4
517.18695	1.8
535.19757	39.1
536.20020	2.3
553.20789	0.7
583.21771	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	583.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98839	1.2
71.01372	0.4
71.31022	0.5
93.03468	3.4
97.40876	0.4
105.03482	0.5
113.46030	0.4
121.02948	4.5
122.03745	15.6
133.02957	1.6
134.03757	0.7
135.04514	0.5
136.01668	1.0
137.02477	0.4
141.65517	0.4
149.02449	16.9
150.03232	97.6
151.03671	1.3
153.05582	0.6
159.04483	0.4
160.01721	0.6
164.04768	3.4
165.05573	100.0
166.05905	0.9
177.05630	0.4
179.07172	0.5
180.04311	5.9
190.06450	0.9
195.06633	59.5
196.06998	1.0
212.08450	0.5
223.06175	0.5
238.06447	0.6
240.07886	1.0
256.07492	0.8
267.06689	0.5
268.07306	2.4
280.07410	1.0
282.47278	0.4
283.09839	1.3
284.06924	0.9
295.06030	0.5
296.06912	1.0
297.07419	0.6
299.09277	1.0
304.31781	0.5
308.06934	1.1
309.07678	1.7
312.06360	2.1
312.09756	0.5
322.08746	0.5
323.09335	3.3
324.06329	1.0
324.10034	1.8
327.08749	6.4
337.10666	0.8
338.11563	1.1
339.08737	8.5
339.12448	1.1
342.11130	5.2
354.11008	3.2
355.11642	0.7
357.13458	18.2
358.13721	0.8
369.13419	19.5
370.13120	0.5
505.18484	1.1
535.19696	1.2
583.22644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11366	1.1
59.01384	3.9
61.98841	19.5
63.08074	1.2
69.15129	4.4
69.15554	4.5
71.01363	1.4
73.43435	1.1
74.01234	1.1
74.63186	1.3
74.95792	1.1
93.03475	5.5
98.21877	2.7
103.01482	1.3
111.64292	1.3
119.63618	1.4
121.03010	6.1
122.03739	15.0
132.08502	1.4
133.02982	2.2
134.22163	1.3
137.02531	1.4
149.02460	19.6
150.03238	94.8
164.04822	4.8
165.05585	100.0
166.05954	1.9
179.03471	1.4
180.04311	8.7
195.06638	64.5
201.44904	1.2
208.90590	1.3
240.07909	1.4
242.95529	1.3
256.07428	1.5
271.09671	2.4
296.06915	1.5
308.06802	1.4
308.10410	1.5
312.06418	2.3
323.09326	3.5
324.06326	1.5
324.09967	1.7
326.11481	2.3
327.08661	6.2
339.08698	10.5
339.12338	2.8
342.11093	5.1
354.11133	3.5
357.13403	22.0
358.14209	1.6
369.13425	23.7
378.34250	1.5
505.18866	5.1
535.19745	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58628	1.0
53.77282	0.9
59.01376	2.8
59.70769	1.1
61.98838	14.9
67.67464	1.1
71.01379	2.7
87.04528	2.0
89.02467	2.0
93.03481	6.4
95.07842	1.0
96.96054	1.4
101.02479	1.9
105.03514	1.2
109.02909	2.1
117.43327	1.0
121.02961	13.3
122.03760	21.4
122.04639	1.6
123.04537	1.2
133.02946	2.4
134.03777	2.0
135.04539	9.2
136.01669	14.1
137.02448	3.1
147.04495	2.4
149.02455	31.0
149.04401	1.3
150.03242	100.0
151.00369	3.7
151.04034	17.1
160.05237	1.1
163.03998	2.1
164.04823	6.3
165.05583	93.3
166.02760	10.3
166.05891	1.9
167.03529	2.7
172.05327	1.7
175.04027	4.8
180.04294	5.3
181.05080	11.5
189.05565	3.0
190.06400	6.2
191.05696	1.7
193.96112	1.2
195.06624	46.2
205.05096	1.1
205.08673	1.8
207.06725	1.3
297.07690	1.6
329.10266	3.8
342.10941	2.7
356.12604	3.0
357.09793	2.4
357.13538	12.3
369.13385	1.4
372.12137	2.2
373.13116	2.7
387.14499	25.0
461.16595	1.3
478.26450	1.2
505.18524	5.6
517.19183	1.2
535.19769	39.7
536.19971	1.4
583.22192	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	583.219
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	9.1
61.99172	0.5
69.50153	2.0
75.00894	0.4
93.03479	3.4
93.97007	0.4
96.96030	1.3
98.21890	0.7
109.02957	0.7
121.02975	4.1
122.03750	13.5
124.01695	0.8
125.02393	0.5
127.61857	0.4
133.02965	1.7
135.04543	0.6
136.01680	6.5
137.02454	0.9
139.04033	0.6
149.02466	13.7
150.03241	89.4
151.00356	1.8
151.04041	7.0
153.28593	0.5
161.06107	0.5
162.03288	0.7
163.04013	0.4
164.04839	3.3
165.05583	100.0
166.02757	4.2
166.05933	1.5
167.03487	0.5
175.04021	1.4
177.01909	0.6
180.04285	6.1
181.05081	6.0
189.05663	0.8
190.06360	0.8
190.96606	0.4
195.06642	66.0
196.06969	1.3
206.05864	0.6
221.08189	1.4
297.07825	0.5
309.07611	0.6
329.10330	0.8
342.11008	1.3
343.11926	0.4
346.62659	0.4
356.12613	0.5
357.09659	1.2
357.13513	10.0
369.13614	0.5
372.12094	1.1
373.12936	1.1
387.14478	13.4
388.14783	0.7
392.87085	0.4
467.39197	0.5
505.18683	0.7
535.19751	2.1
583.21588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82891	4.9
59.01393	34.3
59.94941	4.9
61.98837	100.0
69.62399	12.1
69.62788	12.9
71.01384	28.6
73.02953	10.6
82.95396	10.2
85.02969	13.0
87.60204	5.0
89.02452	17.0
92.17103	4.7
93.03419	7.6
101.02429	11.6
108.02183	9.8
109.02962	7.8
113.02454	5.8
121.02991	9.3
123.04565	7.4
125.02478	11.4
126.74908	5.2
133.03055	10.6
134.03745	11.1
135.04524	16.3
137.02467	8.9
143.03485	5.9
149.02448	8.4
149.04564	8.6
150.03246	22.0
151.04050	7.5
152.01193	9.0
160.04008	5.2
161.02460	12.0
161.04521	9.8
162.03220	6.9
165.05571	35.3
166.06339	8.8
166.93098	4.9
176.01341	6.4
177.01956	21.5
179.03516	12.0
181.08786	5.7
190.02797	7.7
191.03470	7.1
193.05107	12.9
195.06679	19.7
196.32144	5.2
200.94044	4.8
269.04672	26.6
345.13184	5.5
361.16003	6.5
385.22360	7.5
415.23727	8.6
547.27649	52.5
583.24805	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	583.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15767	0.4
61.98833	100.0
66.70947	0.4
68.75197	0.4
69.87640	0.4
77.26534	0.5
78.95913	0.9
104.02086	0.4
113.74432	0.4
144.46069	0.4
152.99614	0.5
180.68941	0.4
281.24878	1.5
300.47849	0.4
506.32770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20283	0.3
59.01380	0.9
61.98835	100.0
76.75470	0.2
82.95477	0.3
93.65304	0.3
119.03512	0.2
135.04507	0.5
165.05525	0.3
165.81331	0.3
179.03511	0.4
191.05731	0.4
195.06702	0.3
285.14777	0.3
351.54303	0.3
491.28006	0.3
521.16705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.4
60.01716	1.1
61.01814	1.1
61.89991	0.4
61.98833	100.0
65.29841	0.3
70.38605	0.3
71.01393	1.1
73.02959	0.4
77.04574	0.4
89.02447	0.7
96.96033	0.5
101.02470	1.0
109.02985	0.6
112.39510	0.3
113.02468	0.4
121.08466	0.3
125.46610	0.4
133.03024	0.5
135.04530	0.6
137.02512	0.4
149.06247	0.3
160.05402	0.4
161.02466	0.7
161.04739	0.5
179.03551	0.7
191.05722	0.5
257.08289	0.4
271.08743	0.4
285.04153	0.7
293.08755	0.4
330.14484	1.1
331.14709	1.2
332.14966	1.1
342.14502	1.3
343.14859	0.6
344.14847	0.6
490.15717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33371	0.4
51.56482	0.3
51.86956	0.3
56.60278	0.3
61.98837	100.0
69.10738	1.1
69.11142	0.6
94.60815	0.3
135.04704	0.4
135.78918	0.3
151.04097	0.4
161.02519	0.5
193.05142	0.4
286.07571	0.4
304.69299	0.3
314.01361	0.4
339.25571	0.3
365.66870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54682	0.2
59.01388	0.4
61.98836	100.0
70.27430	0.6
76.45267	0.2
91.06112	0.2
91.48791	0.2
93.03532	0.2
166.20473	0.3
192.14774	0.2
272.21768	0.2
437.70117	0.2
461.04599	0.3
547.28058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65126	0.5
55.17259	0.5
57.17192	0.4
59.01388	1.5
61.98836	100.0
66.34106	0.4
69.28057	2.6
72.52331	0.4
74.17531	0.4
76.40938	0.4
85.02940	0.5
87.00862	0.4
89.26437	0.5
96.96024	0.5
100.60379	0.4
101.02435	0.5
135.04559	0.9
137.02527	0.5
138.34259	0.4
178.60674	0.5
179.03545	1.0
191.05656	0.4
255.04189	0.5
318.73758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80086	0.6
59.01384	8.8
71.01407	1.6
71.41594	1.0
72.11404	0.6
72.99291	0.9
77.03961	0.6
78.02316	0.5
83.27673	0.7
83.63112	0.6
84.99312	0.7
85.02870	0.7
87.00877	6.9
89.02466	1.1
91.10282	0.5
93.03442	0.8
95.05023	2.0
96.96010	0.6
101.02443	0.8
103.00386	1.9
105.03464	7.5
108.02170	0.7
111.00860	0.9
112.98817	13.5
119.03539	0.7
123.04578	1.1
128.97542	0.6
130.99843	1.8
133.02969	51.2
134.02873	0.7
134.03778	9.0
135.04533	43.9
136.04846	0.8
137.02426	3.0
139.03949	1.2
149.00836	0.7
161.08176	1.4
167.03549	1.5
174.02058	0.7
177.01941	35.3
178.02699	13.4
179.03506	100.0
180.03848	2.3
185.06059	1.0
229.05067	2.3
229.71242	0.7
273.04031	4.4
376.38705	0.7
388.60690	0.7
453.10428	20.0
454.11105	1.2
457.32809	0.7
485.26794	0.7
585.10889	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	585.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83424	4.4
59.01388	100.0
69.19209	15.7
69.19617	10.0
69.69625	4.5
71.01393	58.6
72.45381	4.8
84.67769	4.4
84.95110	5.6
85.02966	9.1
86.54094	3.9
89.02460	78.3
96.96030	19.2
101.02454	25.6
108.02161	13.3
109.03024	5.5
113.02488	28.2
119.03508	26.9
121.02986	8.7
121.92702	4.5
133.02972	6.1
143.03542	8.4
161.04565	20.3
179.03461	10.4
179.05620	70.7
206.98468	4.5
223.98949	4.7
265.07538	20.7
271.08145	10.8
275.07758	11.0
309.06436	9.7
410.34518	4.3
495.25195	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	585.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
61.98832	2.0
71.01347	0.5
84.93883	0.6
96.96022	0.5
98.95583	0.8
99.00899	0.5
99.92597	15.1
100.93365	9.2
101.02450	0.6
111.85829	0.5
115.92090	19.9
116.92873	100.0
117.92892	2.2
142.94463	1.5
150.03279	0.6
154.94476	0.7
158.94034	1.0
184.91864	1.6
195.06503	0.7
242.96181	0.9
327.21710	0.9
463.14285	3.3
481.15405	0.7
499.15997	2.5
505.15790	1.2
540.56665	0.6
541.17487	5.8
555.37958	0.6
585.16486	10.4
585.25183	0.9
586.16870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.5
60.62772	0.9
61.98830	20.3
69.22515	5.1
71.01382	1.6
73.02916	1.3
75.88853	1.0
89.02446	1.9
93.03468	4.4
98.21795	1.5
99.00868	1.2
104.02665	6.2
108.02167	1.1
108.90038	0.9
109.02951	1.6
117.03485	1.7
121.02960	6.2
122.03761	6.4
123.04506	1.2
125.67334	0.9
133.02974	1.8
134.03746	2.2
135.04532	4.2
136.01717	1.2
137.02496	1.9
138.03261	1.0
139.04025	3.7
143.60356	1.0
147.04462	0.9
148.01672	12.2
149.02432	18.9
149.06067	1.3
150.03232	50.5
151.03889	2.5
153.01961	1.2
161.02470	2.0
163.03999	3.6
164.04779	4.2
165.05576	51.2
166.05872	0.9
175.03998	3.0
176.01152	93.9
177.01822	3.3
177.05585	1.4
179.03470	1.6
180.04298	4.0
181.05070	1.1
190.06380	4.2
191.03505	100.0
191.07135	2.8
192.03951	2.1
193.05119	2.6
194.05771	1.5
195.06628	26.3
196.06938	0.9
205.08757	3.7
207.06645	2.3
208.07347	4.7
222.08937	1.4
268.03607	1.3
269.04556	9.6
285.04092	2.5
297.07660	2.5
344.12717	1.4
345.13376	2.7
349.68103	1.0
359.15015	25.6
371.14862	1.8
387.23639	1.3
462.57684	1.1
507.19952	1.3
537.21320	29.9
538.21619	2.2
585.23370	1.5
585.38068	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	585.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
61.98842	5.4
66.83752	0.5
69.33823	0.6
69.34213	1.8
71.01385	2.6
73.02964	0.5
79.38567	0.4
84.73750	0.4
87.00858	0.5
89.02441	4.1
99.00893	1.7
101.02442	0.9
120.02227	0.5
121.02940	1.3
121.26120	0.5
122.03710	1.4
123.04502	0.7
125.02468	0.7
131.03484	0.8
133.02965	2.0
134.03757	55.2
135.04582	1.0
136.01648	0.7
136.89197	0.6
137.02446	5.1
139.04022	1.3
148.01620	0.8
148.83524	0.5
149.02478	3.2
149.04588	2.7
149.06087	15.8
150.03268	6.4
153.05534	0.7
163.04039	0.9
164.04794	1.1
165.05577	7.3
175.03973	0.5
178.02733	33.4
179.03340	1.1
181.05154	1.5
192.04213	1.1
193.05078	100.0
194.05441	2.8
195.06631	3.9
207.06709	2.5
211.06142	1.3
224.67407	0.5
243.06683	0.8
281.08655	0.8
287.05609	0.6
323.09830	2.1
325.29712	0.5
326.79016	0.5
341.10272	1.4
343.12018	0.9
373.12659	0.7
433.16333	0.9
453.08429	1.3
537.17603	1.8
585.24438	4.2
594.18774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2138
Annotation	CHEBI:67785
Peak:m/z	Relative Intensity
56.77473	0.7
57.72520	0.8
58.13678	0.6
59.37480	0.6
60.61924	0.7
61.98836	0.7
68.99820	0.9
71.05861	1.1
72.60457	0.8
81.03493	1.0
83.76936	1.0
98.25764	0.8
98.52413	0.7
119.05035	6.7
123.04521	1.5
125.02442	3.2
132.99623	0.9
138.20798	0.7
139.87134	0.8
167.03496	3.7
187.03922	0.7
189.05592	3.0
201.01930	7.8
211.07732	0.9
213.01920	0.9
213.09100	1.8
215.03519	1.0
223.07594	1.2
227.03535	1.4
228.00638	1.9
229.01427	71.5
230.01834	3.1
237.09270	1.9
239.07187	4.6
240.07744	0.9
241.01440	10.2
242.02176	1.0
243.06589	1.7
253.08762	0.8
253.99873	0.8
255.02896	0.9
255.09981	1.0
256.07361	1.7
257.08090	1.9
265.08655	1.2
267.06622	4.7
269.04559	2.1
271.02475	9.9
273.07639	2.2
281.08267	4.8
282.09021	1.7
283.02505	4.2
283.05911	1.2
284.06915	7.3
295.02698	0.8
297.04019	0.9
308.06613	0.9
309.07724	2.4
311.05511	1.0
323.09189	1.7
325.14407	0.9
326.07968	0.8
351.16055	17.8
353.13950	94.3
354.14188	4.9
369.17252	3.5
377.14063	1.0
393.17181	5.3
395.14941	17.9
396.15329	1.7
419.15094	2.7
437.16245	4.8
499.21173	3.4
517.22388	1.4
541.22321	14.1
542.22803	1.4
585.21301	100.0
586.21515	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	585.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	38.4
61.98838	8.1
64.87549	0.8
71.01390	25.9
72.99327	1.2
73.02954	7.1
73.87750	0.8
75.63467	1.0
83.01379	1.3
85.02951	4.0
86.00124	1.0
87.00875	11.0
88.72751	1.1
89.02451	32.3
91.48638	0.9
93.03470	0.9
96.96017	1.6
97.02963	0.9
100.70050	0.9
101.02448	13.7
101.18735	1.0
113.02434	4.5
116.92837	0.9
119.03470	1.6
120.99650	1.5
122.03760	1.0
124.17775	1.0
125.02435	1.9
131.03522	24.8
133.02940	3.5
134.03763	1.1
135.04544	2.5
149.02470	2.2
149.04570	8.0
149.05788	1.3
150.03265	3.4
165.05565	6.3
167.07201	0.9
177.01942	4.0
178.02728	2.8
179.03477	4.7
187.11615	3.9
191.05618	13.6
193.05092	4.5
195.06601	7.6
275.13019	1.3
329.14194	1.2
377.16034	2.5
387.16486	2.5
411.04953	1.0
453.10294	2.3
497.20654	3.5
549.25995	0.9
585.22272	100.0
586.14368	1.0
586.22321	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.7
61.27422	2.5
61.98859	2.5
68.61828	2.6
71.01383	8.9
71.43150	2.8
83.80153	2.5
85.02943	5.3
87.00881	3.4
89.02467	15.3
93.03452	2.5
96.96032	4.2
101.02441	9.3
105.03474	8.3
113.01691	2.8
113.02460	10.7
115.04014	5.4
119.03516	7.7
120.99663	4.1
121.02979	44.2
123.04525	3.6
133.02974	53.1
134.03709	7.2
135.04536	22.9
148.04042	30.0
150.03278	2.9
158.58778	2.5
161.04507	5.1
161.19623	3.0
177.01958	37.4
179.03525	27.0
179.05038	3.7
185.06088	4.7
191.05618	6.2
196.63799	2.4
205.39455	2.6
222.58849	3.1
229.05055	4.1
273.04004	5.9
275.07721	3.7
310.09628	4.0
353.14075	3.0
453.10370	33.6
549.25696	32.3
585.23230	100.0
586.16937	5.9
587.35358	2.7
594.80414	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	585.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	8.2
59.01387	40.8
61.98835	100.0
71.01389	38.8
71.44231	3.1
72.99313	3.0
73.02943	8.9
82.95414	7.4
83.01382	6.5
85.02969	15.4
87.00863	6.5
87.04541	5.9
89.02465	18.7
96.95968	3.7
99.00872	7.4
101.02454	26.9
103.04021	99.4
108.02168	3.3
109.02984	5.4
111.04591	3.5
113.02433	11.7
113.06037	3.7
123.04510	3.7
125.02411	3.1
126.90355	3.7
127.05162	16.4
128.03551	11.0
130.08714	23.6
131.03516	3.1
131.09148	4.0
133.02934	6.9
135.04512	14.5
137.00748	3.7
137.02434	7.4
149.04530	9.5
150.03259	9.6
160.04059	11.1
161.02451	10.5
161.04584	6.7
165.02022	4.2
165.05569	8.8
167.57477	3.4
173.04454	3.8
179.03514	12.6
180.04224	4.7
184.87675	3.2
191.03587	3.3
191.05611	20.2
195.06592	10.0
199.18127	3.9
221.92610	3.3
222.12585	4.8
240.13593	9.2
258.14719	5.1
293.08630	3.8
307.17761	3.5
385.22302	6.0
387.24271	5.3
437.20181	21.4
439.21857	12.9
453.27286	4.4
525.25403	18.6
537.21155	6.9
549.29309	5.8
567.28308	3.7
567.36261	5.5
584.36322	12.9
585.29395	12.8
585.38196	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
57.03455	1.9
59.01387	89.3
61.98835	22.3
71.01389	59.5
72.99323	2.5
73.02564	1.6
73.02953	23.6
82.95441	3.3
83.01405	3.8
85.02960	11.9
87.00894	3.8
87.04538	3.2
89.02455	100.0
89.14029	0.8
93.03465	2.1
95.01401	2.1
97.02943	1.4
99.00891	29.8
101.02454	50.7
109.02971	0.9
113.02464	15.5
115.04039	1.5
119.03523	9.3
125.02485	6.7
126.16883	0.9
131.03514	20.3
135.04504	2.3
137.02470	2.9
143.03549	1.9
149.04570	68.8
150.04921	1.2
151.07645	2.4
152.08455	20.9
161.02428	1.6
161.04567	6.7
171.79875	0.9
172.05309	1.0
177.01945	1.0
179.03604	1.9
179.05609	4.6
191.05652	19.6
203.10817	2.1
215.89314	1.2
217.12337	1.4
218.13017	1.1
221.06752	4.7
233.06657	1.6
251.07793	7.0
273.18600	0.9
291.19705	1.2
293.08728	2.1
301.16599	1.7
311.09842	1.5
317.86868	0.9
363.23785	4.4
387.23880	2.0
433.20813	35.2
434.20828	1.3
437.20560	1.0
453.25079	5.8
463.12451	1.3
525.29382	7.8
547.27606	1.3
549.29346	2.5
555.28320	1.1
585.29291	27.2
586.29578	1.7
586.58875	1.0
610.79370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40937	1.3
58.00581	1.1
59.01384	94.4
61.59489	1.1
61.98835	27.8
63.82790	1.1
71.01385	66.2
72.99298	1.3
73.02951	24.4
81.03461	1.3
82.95426	4.8
83.01408	3.1
85.02963	12.3
87.00871	3.0
87.04514	3.3
88.98757	1.8
89.02451	100.0
90.02785	2.4
97.02957	2.7
99.00889	31.5
99.01539	1.7
101.02449	51.5
113.02458	16.5
115.04047	2.0
119.03515	12.8
125.02451	4.8
127.05163	1.4
131.03517	17.7
133.02953	1.7
135.04539	5.0
137.02449	3.2
143.03535	5.2
149.04567	80.1
151.07730	2.3
152.08435	30.7
159.03064	2.2
161.02457	1.7
161.04584	6.0
179.03505	5.2
179.05620	4.1
191.05605	20.2
217.12303	2.2
221.06715	3.5
233.06683	2.0
238.44748	1.3
251.07664	7.1
273.18771	1.5
291.19467	1.7
293.08853	1.5
307.61282	1.2
311.09735	2.0
363.23901	4.3
387.24011	2.6
428.10712	1.5
433.20792	41.0
453.24847	9.3
463.11621	1.7
503.26273	1.5
525.29602	11.5
549.29156	2.4
585.29358	38.1
586.29736	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	586.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.8
61.98835	25.8
63.32469	0.9
69.14896	2.5
69.15308	3.1
71.01390	4.0
73.02949	2.3
74.99107	46.3
85.02953	1.9
85.06603	6.8
87.00871	6.3
89.02445	2.9
93.03479	1.0
101.02457	2.6
113.06106	24.6
115.04026	12.0
120.99666	14.5
121.03070	1.2
130.03009	33.4
131.03787	5.0
132.04587	16.2
135.01237	16.9
135.04556	1.2
137.00685	100.0
138.01022	1.7
139.04021	7.6
147.04541	4.4
149.04593	2.6
150.01459	3.6
151.02206	1.5
157.05067	4.9
160.04027	4.8
161.04597	1.7
162.00198	4.0
164.01781	10.0
174.05675	1.5
178.03355	18.4
179.03693	1.0
191.05582	1.7
195.03433	1.3
245.09145	1.0
255.95293	1.0
266.04929	7.6
272.58414	0.9
297.06470	1.7
326.07062	13.8
340.08636	3.1
414.08371	2.3
428.10309	2.5
456.09778	3.1
586.16028	21.4
587.16290	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	586.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49556	0.7
59.01375	7.0
61.98837	65.7
62.40302	0.7
68.35047	0.7
71.01386	3.6
73.02939	1.0
74.02485	1.0
74.99104	43.2
85.02977	1.6
85.06603	5.4
87.00890	6.6
87.04510	1.9
87.55387	0.7
89.02454	2.2
93.03448	1.1
94.01398	0.8
98.21854	2.5
101.02466	3.2
101.86296	0.6
103.04031	3.2
109.02959	0.8
113.02488	1.0
113.06095	21.2
115.04021	10.6
119.03528	0.8
120.99669	15.1
121.00484	1.3
125.02480	0.8
128.03531	0.9
130.03004	29.4
131.03781	7.0
132.04567	14.9
135.01236	15.8
135.04520	1.9
137.00684	100.0
138.01047	1.4
139.04018	8.2
147.04521	4.9
150.01466	2.4
151.02333	1.9
157.05072	5.5
161.02425	0.8
161.04539	1.8
162.00227	5.6
164.01802	8.3
174.05606	1.9
178.03329	17.5
179.01855	0.8
179.03493	1.4
191.05643	1.7
195.03336	1.3
249.00143	0.7
266.04944	8.2
284.43793	0.8
297.06607	1.6
326.07062	14.1
340.08652	2.7
414.08826	2.3
428.10074	1.9
456.09763	3.0
586.16010	23.8
586.32318	1.5
587.16150	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	586.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10413	0.4
59.01383	7.1
60.20192	0.4
61.98829	1.0
67.01884	0.4
69.03465	1.0
69.51620	1.6
71.01395	4.4
73.02948	0.5
85.02966	1.4
89.02457	3.5
93.03484	1.2
96.96034	0.5
101.02435	2.8
112.01691	0.9
113.02459	6.2
119.03494	1.8
120.01263	0.8
121.02968	100.0
122.03307	0.7
131.03508	1.2
135.04541	0.6
148.04062	61.3
149.04497	1.1
161.04602	1.8
176.01309	0.5
179.05626	2.0
253.41917	0.5
275.07745	11.9
275.39090	0.5
292.08511	0.8
293.08795	5.7
310.05853	0.9
310.09348	15.9
406.11398	1.8
488.82440	0.5
586.17743	26.0
587.18250	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	586.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49682	0.3
57.03442	0.3
57.31112	0.3
59.01378	1.8
61.98836	100.0
63.25678	0.3
64.56008	0.2
71.01402	0.9
71.41491	0.3
73.02963	0.5
79.44083	0.3
85.02990	0.3
89.02465	1.3
97.02995	0.3
99.00889	0.3
101.02489	0.6
116.75050	0.2
125.02468	2.1
130.06688	0.6
134.03802	0.7
137.02533	0.3
143.03651	0.3
150.03365	0.3
151.04095	0.5
155.10858	0.3
161.04648	0.4
174.05669	1.0
193.05113	1.1
198.40126	0.3
199.04094	0.3
199.09885	0.7
200.98120	0.3
233.73505	0.3
272.05774	0.7
305.08740	0.3
323.06311	0.5
323.09723	1.9
383.11942	0.4
389.12659	0.8
434.10944	0.6
480.15323	0.5
585.24298	0.5
586.24573	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	586.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	2.9
59.01363	4.3
61.98835	100.0
63.60811	2.3
63.76624	2.5
71.04552	3.0
113.02465	3.6
129.06296	2.4
134.03723	2.5
139.00066	2.3
145.47432	2.5
165.05544	4.0
176.01198	3.2
177.01767	3.3
190.02783	5.3
192.03926	2.8
195.06584	2.7
196.07068	2.8
199.07707	2.9
215.03416	2.8
218.53857	2.9
222.01741	3.5
243.06709	18.5
269.04538	9.4
270.04974	3.4
271.09753	3.6
290.52490	2.4
329.13791	5.3
343.15558	3.5
347.14932	11.5
508.19702	3.1
523.21899	95.0
523.29822	5.1
524.22107	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	586.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33225	0.3
55.08565	0.3
55.58778	0.4
59.01390	0.5
61.98836	100.0
63.13546	0.3
65.97803	0.3
70.85144	0.6
87.70559	0.3
101.02457	0.4
120.64307	0.4
137.02397	0.4
147.84175	0.3
150.03278	1.3
151.04095	0.4
153.64224	0.4
165.05638	1.5
177.01834	0.4
193.04918	0.4
195.06682	0.7
197.04436	0.3
219.65825	0.4
234.50990	0.4
389.12637	1.0
459.07632	0.4
569.11053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.50039	0.4
61.98835	100.0
63.90506	0.3
71.01376	0.3
84.96004	0.3
89.02465	0.7
94.23750	0.4
96.97024	0.4
101.02438	0.4
109.65110	0.3
116.92868	0.6
135.04549	0.4
179.03508	0.5
182.14920	0.4
185.02704	0.4
190.05128	0.5
191.05499	0.7
225.11403	0.4
376.58014	0.4
483.71762	0.4
518.18762	0.6
549.20911	0.4
550.21515	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	586.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48404	0.3
59.01392	1.3
59.82193	0.2
61.98837	100.0
62.73259	0.3
71.01399	0.7
71.41705	0.3
73.02939	0.3
85.03001	0.3
87.00896	0.4
89.02490	0.5
93.03478	0.5
95.72813	0.3
101.02451	0.5
110.37857	0.2
121.03001	0.7
122.03821	1.5
122.04538	0.3
123.04063	0.4
128.27682	0.3
129.95370	0.3
135.04535	0.9
149.02458	2.9
150.03261	10.1
151.03590	3.9
152.03682	0.4
164.04787	0.5
165.04155	0.8
165.05571	9.4
166.05934	4.9
167.06206	0.6
179.03563	0.5
180.04305	0.6
195.06642	6.5
195.08260	0.4
196.07007	3.6
285.04111	0.4
315.08252	0.3
328.13068	0.6
329.10294	0.4
330.10321	0.4
341.10190	0.6
342.10657	0.7
344.12595	0.7
345.12970	0.7
357.13220	0.3
359.14722	1.2
360.15451	2.1
371.14972	0.8
372.15274	1.4
496.44363	0.3
508.20291	1.4
538.21619	6.6
586.38568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.7
61.98836	39.4
63.99233	1.7
69.28815	7.9
71.01379	5.1
73.04080	6.6
73.51660	1.8
74.02473	3.1
80.91670	3.2
82.06615	1.8
82.95406	6.8
84.04550	4.7
87.05648	10.3
97.04073	1.9
100.67968	1.6
101.02437	4.2
102.05619	32.9
106.14312	1.6
110.02454	2.3
113.02448	2.6
115.05142	15.8
125.02412	1.5
126.06735	11.7
128.03557	100.0
129.10362	5.3
130.08777	21.0
136.07738	1.9
139.08725	2.1
140.07191	4.1
144.07790	5.3
146.03584	2.7
146.04613	32.3
149.02400	1.7
153.10382	2.4
155.11920	4.0
168.07794	25.7
171.15025	7.3
177.04346	2.1
180.52440	1.7
182.12984	2.3
183.11310	2.0
186.08893	16.8
191.05644	2.5
215.14049	5.2
225.16113	3.9
252.20734	2.4
259.13135	1.9
270.21930	5.4
276.59277	1.6
314.20712	2.1
328.22333	2.2
389.25433	2.5
395.23279	1.9
399.26035	4.7
413.24097	40.4
414.24396	1.9
439.25244	2.2
457.26706	15.9
542.28357	82.2
543.28534	6.5
586.31000	98.7
587.31195	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	586.345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.0
61.98835	100.0
67.03851	0.3
69.97633	0.3
71.01398	3.3
72.99329	0.5
73.02958	1.6
75.00858	0.6
82.95464	0.5
83.01398	0.4
85.02986	1.0
87.00900	0.5
89.02446	4.5
90.02785	0.4
93.03456	0.4
98.22706	0.8
99.00895	1.1
101.02447	2.4
108.22137	0.3
109.02999	0.5
110.90380	0.3
113.02454	1.0
121.02967	0.4
122.03765	0.4
131.03568	0.8
134.03815	0.4
135.04556	1.0
149.02475	1.3
149.04549	3.6
150.03268	3.4
150.04933	0.3
151.03658	1.2
165.05585	3.5
166.05960	1.3
176.01224	0.6
177.01578	0.5
178.90892	0.3
179.03569	0.7
190.05154	0.4
191.03578	0.7
191.05708	1.0
192.03941	0.8
195.06615	2.4
196.07033	1.4
213.52455	0.3
221.06708	0.4
251.92284	0.3
261.18652	0.4
262.18863	0.4
283.02435	0.4
360.15390	0.6
372.15384	0.9
424.24493	1.1
508.20993	0.4
538.21826	2.3
556.28497	3.5
586.29749	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	586.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
57.70116	0.2
59.01387	4.5
60.01715	0.3
61.98837	100.0
69.05643	0.5
69.06062	0.9
71.01388	3.2
72.01724	0.2
72.99320	0.3
73.02958	1.3
74.02496	0.3
83.01405	0.5
85.02964	0.5
87.00911	0.3
87.04594	0.2
89.02456	3.2
90.02804	0.2
95.01430	0.3
99.00874	1.3
101.02459	2.4
102.02801	0.3
111.00931	0.2
113.02496	1.0
114.02766	0.2
121.02998	0.2
125.02467	0.4
126.85522	0.2
127.05164	0.3
131.03543	0.7
132.30719	0.2
135.04468	0.3
138.35635	0.2
149.04604	1.8
150.04968	0.4
152.75975	0.2
155.10806	0.2
161.04608	0.3
168.08408	0.2
177.02029	0.2
191.05656	0.7
285.04083	0.3
307.70477	0.2
438.20840	0.3
453.25113	0.5
454.25369	1.4
556.28546	0.3
586.29474	4.8
587.30725	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	586.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01384	5.0
61.98837	100.0
68.98187	0.4
71.01383	3.5
73.02954	1.5
74.02498	0.9
85.02983	0.8
85.06617	0.4
87.00897	0.8
89.02438	3.5
93.03500	0.8
99.00898	1.2
101.02466	2.2
109.02934	0.7
113.02467	0.9
119.03530	0.7
131.03566	0.9
133.03012	0.5
135.04619	0.9
137.02472	0.5
139.62576	0.4
149.04573	2.2
160.04103	0.6
161.02481	0.7
179.03542	0.7
179.10762	0.5
191.05588	0.6
205.64906	0.4
285.04327	0.9
361.01154	0.4
378.15881	0.4
495.01089	0.4
586.30048	1.0
587.29541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09213	1.3
59.01382	28.6
67.57946	1.3
70.05365	4.8
71.01386	16.0
83.05030	11.8
85.02958	3.4
87.00867	3.5
89.02443	20.2
93.03469	2.6
95.01437	1.4
101.02463	20.0
111.04539	15.7
112.01685	1.7
113.02466	15.3
119.03524	9.3
123.04517	2.0
130.22824	1.6
131.03532	6.2
133.05013	1.9
137.02449	4.4
151.64140	1.3
153.02077	1.4
155.03500	6.5
161.04579	1.9
167.03529	1.4
179.03610	1.3
179.05643	9.1
237.25830	1.3
243.21184	1.4
275.07767	19.4
293.08820	100.0
294.09076	2.2
317.08798	61.3
318.09106	2.9
335.09769	4.3
347.09811	18.5
365.10901	3.2
377.10916	11.1
395.11874	10.6
455.14407	1.7
587.14056	12.1
600.22375	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	587.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44256	1.5
59.01117	3.2
59.01381	25.1
64.71902	1.8
69.03448	3.4
69.42153	8.7
71.01379	18.0
71.97874	2.1
73.02932	2.8
75.51248	2.1
83.05025	9.8
85.02941	5.7
87.00877	2.9
89.02454	21.0
98.79278	1.7
101.02446	20.6
111.04527	15.7
113.02451	21.1
119.03492	10.2
131.03506	4.3
137.02454	4.7
144.62973	1.8
155.03528	5.6
161.04585	3.1
179.05629	5.7
197.25594	1.7
244.64819	1.7
275.07806	19.5
293.08795	100.0
294.09091	3.0
317.08765	64.0
318.08972	2.0
329.08630	3.0
331.68466	1.9
335.10052	3.5
336.25232	1.8
347.09885	19.4
365.10892	2.8
377.10883	13.1
395.12051	13.6
469.57346	2.1
496.17224	1.9
560.40399	2.2
587.13855	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	587.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78455	1.5
59.01384	25.9
69.03477	2.1
69.92578	4.8
71.01385	16.0
73.02983	1.8
75.00885	2.1
79.45368	1.9
83.05034	12.8
85.02961	3.8
87.00854	2.4
89.02450	18.7
95.01398	2.0
101.02441	18.8
111.04504	14.6
113.02456	15.2
119.03524	12.7
131.03528	4.3
135.04533	2.3
135.57199	1.7
137.02507	3.7
143.03403	1.9
147.04549	1.8
155.03514	5.9
161.04523	4.8
177.52844	1.6
179.05626	4.4
185.04625	1.7
268.21628	1.5
275.07730	17.1
279.41647	1.9
293.08810	100.0
294.09116	3.9
315.30908	1.8
317.08777	61.0
318.09161	3.0
329.08994	1.7
335.09689	4.4
347.09949	16.9
365.10892	4.3
376.27118	1.6
377.11044	9.2
395.11920	13.0
455.12109	3.1
587.13928	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	587.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	2.7
59.01387	42.2
69.03471	3.5
70.89788	1.6
71.01386	29.8
71.43437	2.8
73.02955	2.5
83.05036	16.9
85.02953	5.4
87.00867	4.1
89.02456	37.2
93.03465	2.8
93.21697	2.1
101.02461	33.5
109.03010	2.8
111.00807	1.9
111.04531	13.1
112.01675	2.3
113.02473	26.4
115.04035	3.0
119.03532	15.1
119.05036	4.3
121.06589	7.3
123.04549	2.6
131.03522	6.6
137.02480	6.1
141.05598	2.0
143.03549	4.5
147.04536	2.9
149.04547	2.8
155.03513	6.7
161.04593	10.5
163.04025	3.4
165.05617	5.3
179.05634	33.5
185.01564	1.9
186.60144	1.9
191.03542	38.1
209.04564	9.7
233.04637	6.5
247.92130	2.0
275.07767	20.8
276.76288	2.0
281.06778	3.3
293.08823	100.0
294.08926	2.2
311.07684	5.1
317.08820	60.0
328.57364	2.1
335.09647	2.7
335.23318	2.6
347.09903	15.8
365.10941	3.5
371.09888	2.9
377.10684	11.7
389.10907	5.7
395.11832	13.6
411.07126	3.4
455.14029	4.7
527.01202	2.7
587.13849	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	587.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93858	1.1
59.01386	4.3
61.98840	11.5
65.12658	1.0
71.01394	1.5
79.95736	1.2
81.74976	1.1
85.02984	1.3
85.07409	1.3
89.02490	1.4
96.96017	4.6
101.02471	1.6
109.02941	2.0
112.22915	1.1
113.02509	1.1
116.92888	1.6
119.41628	1.4
121.03003	2.8
122.03750	4.9
123.04531	3.7
125.02455	1.9
133.02940	1.4
134.03748	38.6
134.04720	2.5
135.04529	4.0
136.01762	1.2
137.02451	3.3
147.04520	2.3
149.02495	8.3
149.06075	11.0
150.03246	30.9
151.04001	14.3
161.02469	1.4
164.04855	2.1
165.05577	36.4
175.04063	2.8
176.04849	3.1
178.02718	15.6
180.04216	2.9
181.05093	10.9
191.07152	2.8
192.04341	2.2
193.05074	51.3
195.06628	14.5
235.06078	7.2
239.07106	2.1
255.03094	1.2
282.09055	2.6
295.08231	1.7
297.11203	1.7
341.10309	12.7
374.85071	1.3
383.11780	1.3
389.12451	100.0
390.12796	5.3
431.13437	5.5
459.07230	3.4
463.09552	1.2
491.15689	2.7
539.19006	1.9
551.18103	1.6
564.95300	1.5
569.10400	2.1
587.14215	1.7
587.23022	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	587.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23358	1.3
59.01087	1.8
59.01383	34.7
61.19835	1.2
69.03463	4.5
69.72162	4.9
71.01390	19.5
78.02327	1.3
78.39832	1.2
83.05042	3.9
85.02988	2.6
87.00880	3.4
89.02455	16.4
97.86253	1.2
101.02464	12.5
111.04527	4.3
113.02457	16.3
119.02769	1.3
119.03523	7.9
131.03510	5.1
133.05138	2.6
137.02419	2.2
155.03467	1.9
179.05612	4.0
180.74927	1.2
214.29663	1.3
275.07816	5.2
288.38904	1.4
293.08823	100.0
294.09344	2.0
317.08780	16.4
347.09726	5.2
377.10800	2.5
395.12051	3.2
587.13904	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94487	5.0
59.01391	38.8
61.98831	20.7
69.13027	18.0
69.13425	10.4
71.01391	12.5
71.45551	4.5
82.95419	15.9
85.02972	4.7
96.35278	4.8
100.23306	5.5
101.02457	10.6
113.02465	7.7
116.92876	9.6
120.31969	4.7
133.03044	5.2
135.04555	13.0
136.01663	11.2
137.02478	6.0
150.03276	23.6
151.04030	16.8
161.02470	9.9
163.04018	5.0
165.05605	19.3
165.55255	4.6
167.87386	4.7
179.03421	6.8
182.00310	5.3
195.06638	29.5
201.11281	5.1
209.08092	4.8
248.49664	4.5
269.04608	6.2
285.03992	6.6
295.88446	6.2
317.08762	6.1
343.11835	11.8
357.13486	8.5
389.25467	48.3
506.17932	10.9
516.30145	5.4
521.20288	99.2
522.20734	8.0
533.20300	100.0
534.20667	10.3
551.21252	18.1
573.01685	5.2
587.21082	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	587.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	47.4
61.98835	100.0
69.26257	30.4
71.01387	35.7
73.02952	11.5
75.00916	6.6
80.91692	97.4
82.95414	12.8
85.02959	9.1
89.02451	36.4
99.00878	11.6
101.02449	12.7
101.37234	5.9
113.00925	7.0
132.20534	5.9
134.03787	8.0
134.06119	11.9
135.04494	11.9
135.54874	7.1
137.02455	7.6
141.00464	7.0
149.04532	24.0
157.85892	5.4
161.02515	11.8
172.57402	5.0
179.03401	11.2
185.50606	6.6
190.05017	11.3
191.05634	17.3
193.05045	6.8
195.06691	10.4
222.07722	9.5
267.85516	6.4
285.04138	20.2
293.08786	12.8
301.10745	7.7
317.08722	7.4
337.11740	7.9
344.55264	6.0
359.15012	18.4
416.62769	5.7
505.26318	24.4
517.18091	11.7
527.23602	10.6
549.20837	36.3
587.24390	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	587.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60424	0.6
51.67324	0.6
53.00270	0.6
69.21564	2.0
69.21970	1.4
77.32545	0.6
78.95889	1.2
86.16451	0.6
92.92793	1.0
93.16376	0.7
98.22621	1.5
104.02652	1.2
107.05038	1.8
116.92855	1.0
118.92779	0.7
152.99515	0.9
155.08630	1.4
171.08124	2.6
187.07635	2.0
189.01923	1.6
190.02728	2.6
197.06093	0.8
198.06749	0.7
199.07666	8.3
215.07211	3.5
225.05664	1.0
239.29684	0.7
240.15211	1.1
243.06622	88.9
244.07115	4.9
257.08215	1.3
258.08823	0.8
297.11316	0.8
311.13120	0.7
312.13699	31.1
313.14041	1.6
327.16031	100.0
328.16464	4.5
421.62662	0.7
497.44669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68455	0.5
59.01382	2.3
61.98833	100.0
71.01396	1.3
73.02969	0.8
82.95433	0.9
89.02465	1.1
91.44669	0.6
94.98093	0.6
96.96024	3.7
101.02454	1.1
143.38916	0.6
149.73979	0.6
165.05548	0.6
176.01189	1.1
177.01875	0.8
186.49631	0.6
191.03584	1.2
192.03876	0.7
212.50557	0.6
269.04639	0.8
285.04080	1.1
293.08533	0.6
409.63577	0.6
410.76645	0.7
425.11893	0.6
525.22729	1.3
527.25122	0.9
528.25677	1.5
588.18231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63836	1.4
59.01378	4.8
61.98832	14.2
64.83407	1.2
69.10757	9.0
85.06622	1.6
85.31059	1.3
87.00874	5.3
87.09117	1.4
93.03455	1.4
94.08502	1.3
101.34014	1.2
108.02203	1.4
113.02502	1.3
121.02973	3.4
121.06606	12.8
129.30254	1.3
133.02980	1.9
134.03741	4.8
135.04546	24.7
143.05026	2.1
145.02956	1.8
146.02507	4.2
146.03766	1.8
149.00945	2.5
149.02309	1.2
150.03268	1.8
155.10828	1.6
159.04485	4.1
161.02426	4.7
162.03168	2.0
165.05600	6.1
171.04512	5.9
172.05267	2.3
174.03258	13.9
175.04019	14.9
179.02055	1.6
179.03539	21.3
181.04938	1.5
184.05273	1.3
187.04034	8.0
188.04665	1.4
189.05592	2.8
195.06615	2.1
197.06105	1.7
199.03970	3.2
199.09825	1.8
211.04062	1.4
215.03526	11.3
216.04391	1.3
229.05075	3.2
230.05887	2.6
231.06651	4.2
247.06099	9.2
248.06844	4.5
275.07217	1.3
275.10544	1.7
277.08701	3.9
279.06769	2.2
282.55066	1.4
291.05142	30.4
292.05908	1.6
293.08408	1.7
293.11801	3.4
319.09781	1.8
321.07715	3.0
333.57312	1.5
337.10718	4.4
353.10382	4.6
368.20709	1.3
389.12451	1.5
391.13593	1.5
391.17963	2.7
413.12366	4.6
457.11441	100.0
458.11835	5.8
459.24542	1.3
481.73083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21788	0.8
59.01386	39.3
61.67337	0.8
61.98839	1.8
64.00931	1.0
64.90392	0.8
71.01386	2.1
71.47308	1.1
87.00883	1.4
89.02446	1.5
93.03483	1.0
99.08170	16.9
108.02213	0.9
109.02966	46.1
112.98792	2.2
119.05010	1.3
121.02963	1.9
127.07666	11.4
129.03485	1.7
134.03754	1.0
135.04547	26.7
141.77353	1.0
145.08723	100.0
146.03773	2.2
146.09088	1.1
147.04547	15.3
147.45351	0.9
149.01025	0.9
150.03226	1.4
158.03731	3.1
159.04536	75.7
165.05637	1.2
173.40375	0.9
179.03528	16.8
187.09781	44.3
188.10016	1.2
191.05678	1.7
195.06668	1.2
234.46866	0.9
252.08046	1.4
253.57227	0.9
269.08215	28.7
313.07013	1.1
323.06335	1.0
351.48621	0.9
357.06107	3.8
373.00446	0.9
457.11563	13.7
458.11481	1.1
466.72147	1.3
529.26239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23726	1.1
53.37897	1.1
56.69622	1.2
59.01387	9.1
60.01730	1.3
69.84946	3.6
71.01389	22.3
72.99295	2.4
87.00900	1.9
88.87991	1.2
89.02451	8.4
92.58612	1.1
101.02442	5.9
110.50069	1.3
111.04556	1.6
113.02479	3.9
115.00387	45.3
133.01447	100.0
155.03510	1.4
168.39856	1.3
179.05548	1.5
235.11087	1.3
275.07718	3.5
293.08789	20.2
294.09152	4.6
295.09448	4.6
317.08807	9.9
347.09714	2.3
395.11877	1.5
411.65057	1.6
589.13397	2.0
610.00439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76486	0.9
57.03457	1.5
59.01388	17.1
61.92182	1.2
61.98817	3.4
69.03466	2.8
71.01386	12.5
72.99352	2.1
73.02956	3.4
74.02486	1.0
75.00894	1.1
84.40714	1.0
85.02953	6.5
85.81495	0.8
87.00881	18.1
87.04525	3.2
89.02451	4.8
96.96030	1.4
97.31654	1.0
101.02460	4.6
103.00379	2.2
107.05033	0.9
108.02183	0.9
109.02929	2.1
112.98821	9.0
113.02457	7.3
113.06114	2.1
115.04042	1.7
116.41986	1.1
119.03509	1.6
123.04586	1.2
123.51859	0.9
127.04053	1.5
130.99928	1.0
131.03520	9.9
133.02983	2.7
134.03761	3.8
135.04543	80.9
135.08147	1.5
136.04890	1.1
137.02455	2.0
137.09741	8.8
143.03471	1.1
149.00903	2.1
152.08499	0.9
155.10800	49.0
156.11124	1.1
157.06558	1.1
160.03996	1.2
161.02461	7.2
161.04581	1.1
163.37938	0.9
169.12485	1.1
179.03519	43.7
181.05028	1.6
181.08801	2.2
183.04558	1.7
199.09772	19.6
201.05548	1.5
241.10837	4.0
275.07806	2.6
285.03940	1.0
323.84372	1.0
389.25458	3.1
391.26865	2.3
427.16028	7.9
432.08350	1.0
457.11298	24.8
457.17212	100.0
458.11615	1.5
458.17575	3.5
589.18579	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	589.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	0.9
59.01382	0.9
65.80914	0.4
70.02979	6.4
70.24096	1.0
71.01404	0.6
71.05025	7.9
87.05643	4.0
99.04527	2.2
101.02451	0.5
115.05132	1.4
116.07182	1.7
125.02432	1.2
129.05608	0.8
130.03340	6.4
137.02461	1.3
146.08246	47.6
147.05984	3.1
165.01962	0.5
217.11928	13.6
221.08385	0.6
243.13615	0.5
277.12280	100.0
278.12500	2.4
293.08896	1.0
419.07657	1.1
427.12329	0.7
553.20557	0.6
589.18335	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	589.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22067	2.6
61.98832	3.2
63.44965	2.3
70.57008	5.6
71.83821	2.8
78.95914	14.4
81.67136	2.4
82.85880	2.5
115.08211	2.6
116.92948	3.5
152.99611	20.2
183.28281	2.9
239.72783	2.6
245.04323	3.9
279.23343	100.0
280.23724	4.5
356.02396	2.8
507.27319	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.277
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61565	5.1
78.95892	17.6
98.22652	24.3
109.45134	6.1
116.92841	10.1
152.99570	27.4
181.51286	5.2
229.49017	6.2
279.23337	100.0
415.15533	5.6
473.86414	5.4
507.27222	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82848	5.7
55.13700	6.5
57.40690	6.4
58.13652	7.1
59.01383	100.0
61.98851	7.9
63.72656	5.9
69.04960	18.8
69.05383	31.1
75.00863	21.7
98.21777	13.5
103.00401	15.6
103.01499	88.1
103.03992	6.0
110.79776	5.9
131.07106	6.7
224.68082	6.7
371.86621	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	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77233	0.3
72.99319	2.4
75.00878	100.0
76.01222	0.4
125.18900	0.4
266.63220	0.3
299.12949	0.3
325.65430	0.4
335.33310	0.4
411.12378	0.4
474.76599	0.4
596.41046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76081	0.3
57.18025	0.4
68.11275	0.4
69.10656	2.8
72.99307	2.3
75.00880	100.0
76.01226	0.5
92.37450	0.4
97.03060	0.4
277.21884	0.8
313.60153	0.5
376.63196	0.4
460.20306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
59.77409	0.4
61.98835	100.0
65.64089	0.4
70.02815	0.7
70.03128	0.7
88.51095	0.4
89.02461	0.5
99.92828	0.5
100.81216	0.5
115.26362	0.4
142.03012	0.5
154.99298	0.5
163.27165	0.4
193.05069	0.9
211.07574	0.8
256.69119	0.4
269.04721	2.6
270.04916	0.6
369.68683	0.5
409.96655	0.5
439.03384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87559	0.9
56.40460	0.7
58.38073	1.0
59.01392	8.3
71.01382	3.0
73.16354	0.8
75.88582	0.9
87.00954	1.0
89.02432	2.5
93.03456	0.8
99.06605	0.8
101.02467	1.4
119.03539	1.3
121.03018	0.9
122.03747	4.3
139.04030	2.4
149.02509	1.0
150.02016	1.5
150.03241	31.2
160.04068	1.2
165.05588	100.0
166.05914	2.4
179.05624	1.1
191.05632	1.0
201.11400	1.2
205.29128	0.8
213.07729	17.1
255.42044	0.8
315.45175	1.0
410.38943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99352	0.5
61.98836	100.0
67.80672	0.4
71.61951	0.4
75.46045	0.5
85.84694	0.4
111.94768	0.5
133.35674	0.5
239.79051	0.5
246.75853	0.5
305.24344	0.5
379.08325	0.9
410.92297	0.5
422.44092	0.6
485.15546	0.5
515.85272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1365
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
57.03454	5.4
59.01383	4.0
61.98847	1.5
63.02407	0.5
65.00323	0.5
65.76215	0.3
69.40563	1.4
73.02950	1.0
74.02468	1.2
75.00861	0.4
79.63512	0.2
81.03471	0.3
82.02982	0.3
83.01389	0.8
84.95132	0.5
85.02952	1.0
87.00883	0.6
88.98799	0.7
89.02426	1.4
93.03448	1.6
95.01407	0.5
96.00895	0.7
97.73040	0.3
98.02505	1.9
99.04521	1.2
101.02454	2.4
107.01408	2.0
108.02214	0.5
109.02972	1.0
113.02454	1.2
115.05127	0.5
116.92851	0.4
117.03465	0.5
119.03499	0.6
119.05072	0.3
125.02445	0.9
129.10402	0.8
132.02205	1.0
133.03035	0.7
134.03732	0.3
135.00908	1.6
135.04535	2.7
136.04906	0.6
137.02431	0.7
142.66815	0.3
143.04985	0.7
146.06146	0.4
150.03073	0.3
151.00375	2.2
152.99191	0.3
153.01913	0.6
154.01517	0.7
155.10870	0.4
157.06621	0.6
159.04533	1.1
160.03990	0.4
161.02489	0.8
161.04556	0.4
163.00415	3.0
164.01138	0.6
165.01927	0.5
167.05103	0.5
167.10629	0.4
167.11926	0.3
168.11458	1.0
169.01495	0.4
169.06602	0.8
171.04335	1.1
179.03502	2.9
179.05064	0.3
179.05620	0.3
180.03818	0.4
181.04015	0.3
183.04591	1.4
185.06096	2.4
187.04034	3.1
189.05624	0.9
195.04491	0.8
197.06088	1.0
199.04065	1.2
200.04764	0.5
201.05647	0.8
210.12535	1.3
211.03989	2.1
212.04759	0.5
213.05608	2.1
215.03601	0.3
217.05402	0.3
221.20943	0.3
226.02657	0.4
227.03517	28.2
228.04034	1.0
228.13571	0.6
229.05060	10.4
239.03473	2.1
240.04242	1.0
241.05104	1.6
241.13393	0.6
255.03009	59.7
256.03641	4.8
257.04568	6.0
258.16257	0.5
267.02954	1.2
283.02512	1.1
284.03296	83.4
285.04056	100.0
286.04379	3.4
305.08810	0.7
327.05228	0.5
357.19446	0.6
375.20435	2.9
443.09918	1.1
447.09357	41.3
448.09918	1.8
459.11923	0.5
472.22116	0.4
487.25479	0.6
489.10440	54.4
490.10834	3.0
505.26584	0.6
529.13550	20.2
530.13910	0.8
530.22137	0.4
531.11426	1.1
531.28082	3.5
547.25452	5.6
574.24799	0.4
591.13568	9.1
591.28137	0.9
592.13910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.3
58.00597	2.8
59.01386	100.0
60.99306	9.7
61.98825	5.2
63.20376	2.1
69.17859	4.6
69.18270	8.2
71.01388	35.8
72.99313	2.2
73.02959	6.1
76.41376	2.1
83.01414	3.3
85.02966	8.2
87.00902	6.0
88.98818	46.8
89.02455	41.5
95.01360	3.1
96.96017	2.1
97.02976	2.9
98.22629	3.7
99.04546	6.2
101.02448	25.4
107.05059	2.2
113.02461	19.7
116.92856	2.5
117.04587	1.8
119.03533	16.6
121.02967	2.5
122.03729	4.4
125.02432	2.8
131.03520	4.4
134.03830	1.9
135.04546	5.4
137.02466	3.7
143.03493	4.7
149.00954	3.9
155.08598	2.2
161.02461	3.7
161.04539	9.1
161.13361	14.0
163.06145	2.5
177.01984	2.0
179.03568	2.3
179.05623	11.4
179.07025	2.5
181.12460	2.6
182.05846	8.4
187.11299	20.9
191.05595	2.8
197.08157	19.2
205.10458	3.7
205.12341	35.9
229.12331	7.4
247.13394	3.5
249.11324	72.7
249.13930	3.7
255.40500	1.8
255.96663	2.1
267.16046	2.5
273.11359	2.0
283.02533	6.4
291.12415	4.7
306.65704	2.1
351.14487	3.4
385.18542	3.6
411.16614	18.6
429.17639	63.6
531.20697	2.9
582.21832	2.1
591.22546	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2617
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.77082	2.5
87.19071	2.5
89.55638	2.9
94.17341	2.5
120.11205	3.1
218.37245	2.7
232.61438	2.5
261.13644	2.6
315.40625	2.6
329.89578	2.7
443.22299	3.1
445.20020	3.7
459.21729	4.3
469.01877	3.2
471.21628	3.0
482.21036	3.5
487.25299	5.0
497.22836	5.0
500.22540	13.8
515.24530	100.0
516.24823	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	591.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58001	1.7
55.03753	2.0
57.03463	2.7
59.01384	100.0
71.01388	67.5
73.02944	10.1
74.57227	1.8
83.01382	4.3
85.02950	11.9
87.00883	10.4
89.02454	70.0
95.01404	5.8
96.60941	2.0
99.00916	2.6
101.02453	61.2
105.01890	2.0
113.02456	30.3
119.03516	34.6
125.02466	3.4
129.46307	1.9
131.03510	8.2
135.04552	17.7
143.03511	11.0
160.04103	3.7
161.02420	6.3
161.04558	21.0
161.60294	1.9
179.03409	3.6
179.05627	77.8
182.05905	2.3
187.11285	3.5
191.05695	2.3
197.08156	2.8
205.12305	4.9
221.06668	23.7
249.11369	6.9
283.02579	3.0
331.84250	2.2
353.85309	2.3
429.17117	4.3
433.05704	2.0
500.09399	2.0
534.40759	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	591.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92166	2.4
59.01385	100.0
61.98835	44.9
62.69543	2.2
65.64760	2.6
69.68720	8.8
71.01389	57.7
72.99332	3.3
73.02947	14.4
83.01400	3.9
85.02952	8.5
87.00886	10.2
89.02450	79.0
99.00887	2.9
101.02454	49.8
106.34978	2.5
113.02443	12.0
116.92855	4.3
119.03522	8.4
125.02444	3.0
131.03516	38.4
133.03033	2.6
134.03752	2.6
135.04550	3.0
149.04565	80.0
161.04605	3.2
161.23506	3.0
179.03487	2.7
191.05618	24.4
211.07591	2.5
259.09805	3.0
269.04385	2.9
284.03458	3.7
299.05719	2.7
531.28217	24.2
591.30823	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	591.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	53.4
61.98832	28.4
69.86272	6.6
69.86629	7.0
71.01388	49.8
73.02940	19.1
83.01380	7.2
85.02967	19.0
87.00873	5.0
88.98810	5.2
89.02459	38.4
90.96396	3.8
95.01382	5.7
96.95993	4.0
97.02951	4.2
98.22657	6.5
99.00873	9.0
99.04537	4.2
101.02470	40.7
106.42801	3.4
113.02479	16.0
125.02399	7.2
131.03514	8.5
133.02988	5.1
135.04526	3.9
143.03487	5.1
149.04549	15.1
153.30095	3.5
161.02454	6.4
161.04579	11.1
191.05618	4.6
285.04059	4.7
300.77032	3.8
328.05743	4.2
399.23819	5.7
411.45731	3.6
450.20947	4.1
459.27078	4.2
473.23825	4.2
477.21103	4.6
531.28192	100.0
532.28815	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	592.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19527	1.8
59.01389	48.8
61.98307	1.6
71.01389	47.3
71.40722	1.8
72.99319	2.5
73.02961	11.6
73.58981	1.5
83.01397	6.0
85.02965	13.5
86.16131	1.7
87.00883	3.1
89.02454	31.2
95.01384	2.2
97.02959	4.2
99.00887	2.0
101.02452	32.2
111.00864	2.6
113.02459	17.1
119.03520	13.1
121.02936	1.8
125.02454	5.0
131.03487	3.4
131.63048	1.8
138.06856	9.0
143.03465	4.3
148.04010	2.7
150.05595	2.5
153.09210	25.3
161.04581	13.9
164.07169	3.2
179.05627	9.1
196.13200	1.9
206.08220	3.3
207.14108	2.2
221.06577	4.1
225.15002	31.9
241.86313	1.9
254.68753	1.7
255.03018	2.1
263.07770	2.2
274.90323	1.7
283.02478	5.2
285.04059	12.0
323.09851	5.2
387.20245	17.0
447.09238	2.5
549.25610	100.0
550.26007	4.5
593.20471	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	592.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37276	1.0
55.83260	0.8
56.43723	0.9
56.78486	0.9
59.01365	1.4
61.98835	100.0
65.37798	0.9
67.67496	0.9
70.10590	2.6
76.77831	0.9
77.27895	0.9
84.95094	1.0
98.33509	0.9
101.02460	1.0
128.03510	1.4
133.02959	1.3
135.04478	1.8
284.03329	1.3
285.04047	8.3
294.42905	1.0
458.24902	1.0
593.14587	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	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
63.58993	2.1
68.50890	2.0
72.71345	2.4
121.02976	5.7
153.59520	2.1
159.39355	2.3
165.01991	3.2
175.40092	2.0
196.38831	2.6
210.52684	2.6
229.63213	3.1
364.26749	2.6
555.66284	2.4
576.73914	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	592.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74656	0.9
55.53733	0.9
61.98835	100.0
71.42209	1.2
79.15087	0.9
105.30208	0.9
110.81334	0.9
265.24591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48709	0.3
57.03443	1.0
59.01384	7.6
59.39959	0.3
63.02417	0.3
64.82708	0.2
65.00324	0.3
67.01864	0.3
68.99827	0.3
70.00788	0.3
71.01385	7.3
71.44228	0.2
72.99310	0.8
73.02954	0.8
75.00890	2.4
75.79634	0.2
83.01411	1.1
83.16203	0.3
85.02958	7.4
87.00910	1.5
89.02454	2.4
93.03472	1.2
95.01405	2.3
96.96008	0.3
99.00893	3.1
101.02454	1.3
103.00368	2.1
107.01404	1.1
109.02948	0.6
113.02458	13.0
115.00394	0.8
117.01955	0.9
118.02185	0.3
119.03488	0.4
123.00867	0.3
127.05135	0.5
128.03502	0.3
129.01979	0.7
135.00890	0.6
137.02408	0.8
143.05057	0.4
150.03253	1.6
151.00423	1.5
154.04243	0.7
155.05148	0.3
157.01442	0.3
159.04549	0.8
160.71413	0.3
161.04626	0.4
163.00400	0.6
165.02022	0.4
165.05583	5.4
166.05829	0.3
167.05055	0.4
169.06628	1.5
171.04529	0.4
173.02486	0.5
175.02492	4.6
179.05661	0.7
185.06085	1.7
187.04027	1.2
189.05565	0.5
197.06120	0.4
199.03970	0.4
201.05589	0.4
211.04016	0.6
213.05597	1.8
213.07591	0.6
214.02682	0.9
215.03539	0.7
221.14357	0.3
227.03496	3.0
229.05042	2.9
239.03542	0.7
240.04349	0.3
241.05043	0.7
243.03175	0.5
253.46545	0.3
255.03036	4.0
256.03668	0.3
257.04538	1.9
284.03296	4.4
285.04068	100.0
286.04401	3.1
327.05173	0.5
339.05051	0.8
417.08350	3.2
461.07297	15.2
461.23926	1.6
462.07843	0.6
470.47888	0.3
501.23172	0.3
593.14929	3.8
593.33563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	16.7
69.89178	2.5
69.89500	2.5
75.16456	1.5
81.03480	1.8
83.01397	4.6
90.78957	1.4
93.03471	5.3
95.04996	2.7
97.02981	3.6
107.05078	1.5
108.02217	2.6
108.43108	1.4
109.02969	16.9
110.24440	1.3
121.02957	7.3
123.03740	1.8
123.04544	14.6
125.02451	96.9
126.02732	1.5
133.02921	3.2
135.04590	1.9
137.02455	19.8
139.04010	4.8
145.02994	1.8
149.02467	10.4
150.03267	2.8
151.04002	12.3
159.04504	3.5
161.02466	4.7
161.06059	2.4
163.03987	3.9
164.01151	4.9
165.01910	5.0
167.03461	3.6
175.04027	13.7
177.01942	100.0
178.02423	1.8
179.03474	6.7
187.03987	7.7
188.04739	2.3
189.05592	1.9
191.03552	1.8
203.07143	9.5
205.05116	7.6
217.04985	2.3
221.08157	1.8
227.03545	2.7
227.07176	2.4
229.05081	5.6
240.76523	1.6
243.02953	3.1
245.08163	9.6
255.02908	14.4
256.03799	7.7
257.04498	3.0
261.04068	2.1
269.04501	2.4
273.04028	4.4
281.04507	3.4
283.02469	2.3
285.04037	5.2
289.07193	57.6
290.07318	1.7
297.04126	2.2
303.05145	5.4
305.06677	2.5
315.05252	3.9
339.08740	4.2
381.09775	3.6
402.96124	1.8
407.07721	65.1
408.07947	2.8
423.07034	3.1
425.08786	26.5
441.08063	2.5
467.10382	7.2
593.13007	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	593.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	13.4
59.01387	1.8
65.00308	1.2
71.01402	1.3
71.41246	1.0
73.02962	0.9
74.02494	0.9
81.03478	2.8
81.64268	0.8
83.01407	4.8
89.02448	1.0
92.28202	0.9
93.03474	3.4
95.01402	0.9
95.05025	2.0
96.96018	1.0
97.02971	3.6
99.00931	0.8
101.02444	0.9
105.02001	0.8
105.03494	1.4
107.01398	1.1
108.04653	0.9
109.02969	15.9
121.02962	7.8
122.03742	1.0
123.04546	10.3
125.02463	100.0
126.02815	1.1
131.05045	1.0
133.02974	3.1
135.04552	2.2
137.02457	17.3
137.03496	0.9
139.04027	3.2
145.03014	1.8
149.02455	9.8
149.06039	0.8
150.03250	1.4
151.00392	2.9
151.04030	12.7
151.05238	1.2
153.01953	21.3
159.04500	1.7
160.00647	1.6
161.02458	7.0
161.06114	2.8
163.00441	1.4
163.03981	3.8
164.01176	3.5
165.01877	4.7
165.05515	1.0
165.06714	1.9
167.03526	2.5
173.06125	1.2
175.04016	9.1
175.07645	1.1
177.01952	87.9
178.02417	1.5
179.03564	4.0
180.04002	0.7
181.06465	1.0
185.06061	1.6
187.04034	5.7
188.04752	1.6
188.68004	0.8
189.05644	1.1
191.03453	1.2
201.05562	1.7
202.06349	1.6
203.03490	1.9
203.07181	5.5
205.01445	1.1
205.05055	5.5
211.04053	1.3
212.04668	1.0
215.03464	1.4
217.05116	2.2
221.08191	1.7
225.05287	3.6
227.03398	0.8
227.07117	1.7
229.05101	2.5
231.03064	1.1
235.06169	1.1
243.03041	1.8
245.04594	1.1
245.08234	8.8
247.05991	1.0
253.04681	6.2
255.02927	5.5
256.03796	3.6
257.04495	1.3
261.04053	1.8
269.04645	1.5
271.05893	1.8
273.04138	7.9
281.04623	3.1
283.02533	1.5
285.04004	3.6
287.05804	2.6
289.03757	3.1
289.07187	51.0
290.07510	1.2
297.04245	1.7
297.07709	0.9
303.05139	7.6
305.04297	9.5
315.05106	8.3
321.04303	1.4
339.08752	3.8
381.09756	2.6
407.07745	46.6
408.07925	2.4
425.08881	16.9
426.09183	1.5
441.08337	6.3
467.10001	6.0
533.06372	0.9
573.87286	0.8
593.12543	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	593.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.0
61.98835	2.1
63.02408	1.9
65.00349	1.2
69.33192	0.8
69.33608	1.3
71.01408	0.9
85.02965	0.4
88.83060	0.4
93.03465	0.6
101.02453	0.4
105.03487	0.6
107.01399	2.1
113.02511	0.4
114.29355	0.3
117.03481	4.9
121.02916	0.4
126.59916	0.4
132.02170	1.1
133.02969	12.0
134.03712	0.6
135.04530	11.5
147.04654	0.4
149.02455	1.4
149.06136	0.5
151.00375	1.9
159.04520	1.8
161.02458	34.2
162.02826	0.5
175.03893	0.5
177.02011	0.4
177.05594	2.3
179.03517	8.3
181.06601	0.5
183.04500	1.0
193.05228	0.4
196.05229	0.5
197.06163	0.8
201.05595	0.7
203.03474	0.7
221.04593	2.7
224.04918	0.4
225.05544	1.7
227.03580	0.5
263.05685	0.6
268.03802	1.7
269.04562	100.0
270.04883	2.8
280.05902	0.9
285.04089	0.8
323.07751	27.6
324.08023	0.8
431.09741	0.9
593.13013	38.6
594.13373	2.6
601.27039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
61.98835	13.5
63.02399	1.0
65.00333	1.3
69.10639	1.8
69.11028	5.7
71.01388	1.7
72.99314	2.1
73.02926	0.9
83.01404	0.9
94.35471	1.0
101.02464	1.4
107.01389	1.8
108.42859	1.0
109.02927	1.0
117.03492	4.5
119.05037	1.5
125.02467	1.0
133.02988	6.8
134.03719	1.1
135.04532	1.1
136.29936	0.9
145.02969	11.4
149.02458	1.5
151.00394	3.0
162.24066	1.0
175.04062	2.1
185.06197	1.2
199.04131	1.7
217.05080	2.3
219.49409	0.9
255.02956	1.9
256.03735	2.1
269.04507	4.2
270.04858	1.8
284.03317	19.9
285.04059	100.0
286.04465	2.7
299.05551	1.7
430.07199	0.9
593.13141	64.7
594.13757	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	593.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48674	0.2
69.95186	0.5
69.95513	0.2
74.72905	0.2
77.03965	0.4
79.96495	0.1
80.10075	0.2
81.60716	0.1
96.63284	0.2
120.02176	3.8
121.02967	100.0
122.03329	1.3
142.81491	0.2
165.01933	4.4
165.03246	0.3
180.05809	0.4
181.05064	0.2
181.06615	2.4
197.06073	2.1
198.46509	0.2
199.07617	0.2
207.04527	0.7
207.08209	0.2
209.04564	56.7
210.04883	0.9
219.52237	0.2
223.03931	0.2
225.05588	1.4
257.09708	0.4
285.09204	0.3
311.09497	0.3
313.07095	1.6
329.08127	0.2
339.08755	0.2
357.06284	1.1
373.10883	0.2
383.07837	1.2
401.08466	0.4
417.09692	1.3
505.11465	3.1
506.11908	0.2
549.10413	7.1
550.10907	0.4
593.13049	9.2
594.13336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54962	0.3
59.01381	2.8
61.98835	3.8
63.02415	1.1
65.00320	0.9
69.48157	0.4
71.01387	1.8
71.43138	0.5
73.02954	0.5
74.02494	0.7
83.01408	1.0
85.02955	0.8
87.00875	0.4
89.02443	0.9
101.02443	0.4
105.03490	0.6
107.01417	2.4
109.02995	0.6
111.88264	0.4
117.03470	5.6
119.05063	1.5
121.02972	1.0
126.28528	0.4
133.02965	6.2
134.68861	0.4
135.04555	1.2
145.02971	11.3
149.02448	1.7
151.00375	3.6
151.04042	0.5
161.02478	0.5
163.04005	1.1
171.78503	0.4
175.04077	2.4
177.01930	1.1
185.06122	0.5
191.05603	0.6
199.04010	2.6
201.01932	0.7
211.02119	0.4
211.04008	0.8
213.05586	0.7
217.05101	1.4
227.03548	1.4
229.05154	0.5
239.03497	0.5
241.05057	0.8
243.03075	0.5
255.03090	1.9
256.03781	1.7
257.04449	0.6
269.04575	0.4
283.02597	0.8
284.03296	19.7
285.04062	100.0
286.04398	2.7
327.04926	0.6
447.09473	0.9
593.13062	68.9
594.13373	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
61.98823	1.1
63.02405	1.3
65.00037	0.3
65.00351	0.8
71.01388	1.1
79.27039	0.2
83.01395	0.7
87.00882	0.4
89.02451	0.8
93.03463	0.5
101.02459	0.5
105.03505	0.4
107.01414	2.3
109.02984	0.3
117.03481	3.3
119.03514	0.3
121.02934	0.3
133.02985	1.1
135.04552	0.4
147.29730	0.2
148.43152	0.3
149.02400	1.2
151.00414	1.9
155.04901	0.3
157.58034	0.3
159.04596	1.3
161.02452	1.2
167.49474	0.2
169.06613	0.6
175.04045	0.3
180.05826	0.2
181.06673	0.6
183.04607	0.5
196.05356	0.4
197.06102	0.9
199.04002	0.5
201.01970	0.4
201.05569	0.7
207.87256	0.2
211.04169	0.3
213.05606	0.3
224.04715	0.3
225.05632	1.4
227.03503	1.2
239.03537	0.9
240.04364	1.0
241.05080	0.5
255.03020	0.8
256.03360	0.4
267.02887	0.3
268.03802	11.6
269.04568	100.0
270.04922	2.7
283.02448	0.7
284.03293	3.9
285.04065	27.2
286.04297	0.8
343.14117	0.4
413.09070	0.6
431.09784	1.9
593.15179	37.4
594.15533	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	593.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48556	0.2
59.01391	3.2
61.98848	0.3
63.02406	1.3
65.00349	0.8
69.80799	0.3
70.72210	0.3
71.01390	2.1
72.99327	0.3
73.02952	0.7
73.27700	0.3
75.00865	0.4
83.01402	0.6
85.02973	0.6
87.00908	0.5
89.02438	1.4
92.74984	0.3
95.01466	0.3
96.96039	0.5
101.02483	1.1
107.01408	1.5
109.02995	0.9
113.02489	0.7
113.80161	0.3
119.03513	0.6
121.02962	0.6
124.30212	0.3
133.02963	4.1
135.04526	0.6
145.06236	0.3
149.02495	1.0
151.00409	3.9
157.08308	0.3
165.05547	0.5
171.04448	0.5
175.04007	1.6
177.01965	0.4
179.05656	0.3
181.12376	0.3
183.04594	0.3
185.06184	0.4
187.03883	0.3
189.05650	0.3
194.17436	0.3
197.06139	0.4
199.04062	1.6
201.01857	0.6
211.04150	0.4
213.05496	0.5
215.03584	0.4
217.05139	0.8
227.03546	0.4
241.05154	0.8
243.02989	0.6
255.03001	1.8
256.03769	1.3
257.04517	0.5
267.03241	0.3
283.02505	3.9
284.03320	14.4
285.04071	100.0
286.04422	2.7
327.05179	0.7
431.09686	0.4
431.18982	0.3
447.09323	0.6
461.19318	0.7
461.24216	0.9
533.26251	0.7
593.15167	46.8
594.15515	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82190	0.7
66.28808	0.8
70.08818	2.0
71.01386	0.9
78.86561	0.8
88.01473	0.8
93.69582	0.9
101.22925	0.8
109.02995	2.1
116.58063	0.8
116.92872	1.1
119.01286	0.9
124.40613	0.9
143.05025	1.1
151.00354	6.4
159.04507	0.9
163.00284	1.4
171.04472	1.0
175.04036	1.5
178.99818	1.5
185.06146	1.1
187.03979	1.8
197.02284	0.8
199.04024	3.8
201.05528	1.0
203.03622	0.8
204.29973	0.9
211.04059	2.4
212.04950	1.0
215.03525	1.7
226.02785	1.1
227.03630	4.6
229.05132	3.0
243.03062	5.2
255.02985	11.8
271.02509	56.2
272.02902	1.8
283.02499	12.5
284.03030	1.2
285.04019	12.0
299.01999	100.0
300.02686	9.4
301.03552	71.8
302.03815	1.6
316.44022	0.9
411.36194	0.9
429.11829	0.9
430.09210	2.6
431.09671	3.9
446.08585	30.0
447.09354	49.4
448.09714	1.5
593.15179	87.3
594.15314	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	593.152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47385	0.2
59.01376	0.8
60.97803	0.2
61.98830	0.4
63.02399	1.5
64.06809	0.2
65.00333	0.6
66.92062	0.2
69.34998	1.1
71.01356	0.5
73.02919	0.3
82.95408	0.4
83.01379	0.4
87.00840	0.3
88.98813	0.4
89.02468	0.5
93.03477	0.3
97.02401	0.2
101.02438	0.3
107.01408	1.9
113.02432	0.3
117.03480	3.0
121.02957	0.3
125.02471	0.3
128.24583	0.2
132.02142	0.2
132.05815	0.3
133.03001	0.6
134.03745	0.9
135.04532	0.6
144.65648	0.2
149.02431	0.9
149.06021	0.3
151.00395	1.0
155.05080	0.2
159.04552	1.4
160.01678	0.6
161.02469	0.9
166.06357	0.6
169.06577	0.3
175.04024	0.9
175.52866	0.2
177.01938	0.3
179.03291	0.3
181.06622	0.2
183.04510	0.5
193.05092	1.3
197.06087	0.5
199.04059	0.4
201.05637	0.4
203.03427	0.3
211.04048	0.3
225.05588	1.1
227.03520	0.4
231.10388	0.6
239.03568	0.4
240.04256	0.2
255.03003	0.4
267.02826	0.3
268.03809	4.8
269.04565	100.0
270.04926	2.9
284.03308	1.7
285.04077	4.0
299.05441	0.4
393.15417	0.3
413.09061	1.0
431.09979	1.2
447.09439	0.3
593.14996	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10767	0.8
66.10539	0.7
70.51213	1.2
82.68865	0.8
107.01390	1.7
115.84206	0.8
121.64228	0.8
135.00899	1.9
151.00371	3.1
159.04552	2.0
163.00391	2.8
167.05055	1.1
171.04448	2.2
174.21356	0.9
178.99913	1.1
185.06055	2.7
187.04048	3.3
197.06100	1.8
211.04025	2.4
213.05600	2.0
227.03513	29.8
229.05063	12.5
239.03458	2.3
241.05031	1.8
255.03000	53.9
256.03738	5.6
257.04504	7.8
267.03143	1.6
269.04575	1.0
284.03281	69.3
285.04059	100.0
286.04449	3.1
327.05130	2.1
593.15186	85.7
594.15594	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.8
61.98834	4.1
63.02408	0.4
65.00325	0.7
71.01392	1.7
71.41570	0.4
83.01399	1.0
85.02946	0.7
87.00903	0.6
89.02431	1.1
93.03476	1.3
95.01423	0.6
95.74282	0.3
96.96014	0.5
101.02444	1.0
107.01380	1.3
109.02956	0.5
113.02486	0.8
116.92865	0.8
117.03499	0.6
119.03484	0.3
121.02950	1.3
123.00789	0.4
133.03012	0.5
134.03726	0.7
135.04527	0.8
137.02446	0.7
143.05025	0.4
145.02951	0.3
151.00421	1.9
154.04298	0.4
155.05045	0.5
157.06670	0.4
160.01695	0.6
161.02446	0.6
163.00397	0.5
164.01173	0.5
166.06366	0.5
169.06548	0.6
171.04547	0.6
175.03969	0.6
177.01938	1.1
179.03600	0.6
181.08751	0.4
185.06119	1.4
187.04059	0.6
193.05147	0.6
211.04071	0.5
213.05492	0.6
214.02635	0.4
227.03603	0.7
229.05115	0.9
239.03505	1.0
255.03024	1.4
257.04608	1.0
284.03238	1.5
285.04065	100.0
286.04385	2.6
356.12628	1.2
357.23102	0.4
359.72958	0.4
362.34879	0.3
371.15140	2.4
449.27716	0.4
593.14917	1.2
593.30927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.5
59.01392	7.8
61.98825	14.6
63.01300	1.6
65.00330	11.3
69.70711	5.5
71.01402	2.9
75.32040	1.4
83.01398	4.6
85.02921	1.6
101.02443	3.3
107.01415	14.7
109.02927	2.7
125.02475	9.4
128.03568	1.8
133.03003	3.1
135.04543	92.4
136.05064	1.7
146.03720	1.9
146.15930	1.4
149.02460	1.7
150.03183	3.9
151.00386	100.0
161.02373	3.9
164.04892	2.2
165.05569	2.5
177.01886	4.2
179.03510	15.8
191.05559	2.6
195.06662	5.8
244.08444	1.7
255.02934	2.6
269.04572	1.8
284.03235	6.6
285.04037	22.6
286.04440	1.8
287.05630	66.9
288.06219	2.8
341.08734	1.7
346.55200	1.5
423.13190	2.9
449.10934	53.0
461.27585	10.0
477.18668	2.3
491.11978	25.6
507.20258	4.2
531.14954	4.6
539.86041	1.7
542.39355	1.8
559.22784	2.2
593.14941	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	593.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98843	39.6
71.01395	8.7
71.42972	5.0
75.00891	5.0
93.25589	5.7
103.00416	7.9
103.01503	78.5
103.24044	4.7
157.70663	5.4
168.31783	4.9
201.98178	5.2
246.52505	5.0
284.03540	7.5
285.04047	21.6
470.55716	5.7
513.04382	6.1
583.35327	5.1
593.14539	12.3
616.77319	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2641
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
55.46442	1.2
61.98835	26.3
71.01371	4.8
71.41816	1.2
73.02972	1.3
78.98582	3.5
79.95300	1.9
79.95744	32.7
80.96524	53.1
87.00891	1.9
94.98106	11.9
97.02986	1.4
98.21796	2.6
101.02429	1.5
106.98119	2.1
121.22082	1.4
122.97594	4.9
125.02467	2.8
134.97614	2.6
148.99164	4.7
152.98648	4.6
164.98636	9.4
206.99625	2.1
216.01364	1.2
225.00774	14.2
284.19690	1.3
299.04443	4.1
333.49738	1.4
371.06403	1.5
413.11008	2.0
593.26398	100.0
594.27142	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	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
62.56858	0.8
71.05941	1.0
71.06329	0.9
78.95911	69.8
83.48508	0.9
95.88435	0.9
96.96966	12.2
108.77321	1.0
129.37679	0.9
129.82478	1.0
152.99606	100.0
171.00659	4.3
223.00166	10.5
241.01225	26.9
259.02264	2.4
261.86633	0.9
277.21750	49.5
278.22165	1.8
315.04901	19.5
333.06079	1.3
339.81366	1.1
593.27411	88.6
594.27570	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.274
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21449	2.3
67.21891	2.1
71.42455	2.0
78.95912	74.1
81.78270	2.5
85.20190	2.4
86.17355	2.0
90.75992	2.0
90.76635	2.1
92.73661	2.1
94.10407	2.1
96.65369	2.0
96.96972	15.2
152.99602	73.2
222.20322	2.7
241.01218	33.9
277.21753	47.2
300.59467	2.5
315.04871	9.7
370.70020	2.6
413.20929	7.0
431.22137	5.5
593.27393	100.0
594.28296	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	593.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50589	3.1
57.03438	3.7
59.01384	38.0
59.02011	3.3
61.19489	3.1
61.98838	21.8
66.00279	3.5
69.93481	3.0
71.01382	20.6
73.02937	7.7
78.60674	3.5
83.01386	7.6
83.05037	6.3
85.02955	6.1
86.58012	3.1
87.00877	5.5
88.98803	3.3
89.02451	18.5
96.96026	4.9
99.00872	3.7
99.04564	3.2
101.02468	11.2
108.02205	4.3
109.02926	6.5
113.02467	7.3
119.03464	3.4
125.02488	6.7
127.71281	3.0
133.02946	8.6
134.03775	7.3
135.04573	7.5
137.02435	5.7
149.02463	3.2
150.03250	3.9
151.04010	6.1
152.01158	4.2
158.57776	3.2
159.04539	3.8
161.02492	9.6
161.04556	4.5
167.03488	4.4
175.03943	5.4
177.01944	11.2
178.02708	4.3
179.03500	5.4
187.68326	3.1
192.04268	7.3
193.05089	7.5
225.16150	6.6
227.03539	4.3
255.02811	4.8
268.03723	5.1
269.04572	47.7
284.03354	20.0
285.04074	100.0
286.04196	7.1
299.05554	5.8
310.08292	3.9
325.10721	6.0
339.12308	20.4
354.14722	13.5
369.17084	18.6
387.14941	4.7
413.16129	17.4
420.36743	4.0
431.22830	49.2
451.32806	7.8
593.14612	35.0
593.43927	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	593.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33884	0.3
55.01877	0.5
57.03461	0.6
57.63266	0.3
59.01385	7.1
61.52102	0.3
61.84121	0.3
61.98824	0.9
63.02400	0.8
65.00336	0.7
71.01388	7.0
71.43777	0.3
72.99342	0.4
73.02957	2.2
75.00880	0.4
83.01389	1.8
85.02953	3.3
87.00883	3.0
89.02464	3.0
91.01889	0.7
93.03455	2.0
95.01407	0.6
96.96029	0.5
97.54269	0.3
99.00902	0.5
101.02455	5.1
107.01392	3.6
108.02161	0.4
109.02956	1.0
110.33142	0.3
113.02486	2.7
117.03473	0.4
119.03507	1.1
121.02959	0.4
125.02465	1.1
128.90085	0.5
131.03473	0.4
131.05064	0.5
132.02211	1.5
133.03023	0.5
135.00874	2.0
135.04521	0.6
137.02425	0.8
143.03571	0.4
143.05026	1.1
151.00356	3.3
153.01985	0.5
153.79790	0.3
155.10747	0.6
157.06624	0.5
159.03232	0.5
159.04530	1.5
161.02496	0.7
161.04602	2.2
163.00380	3.1
164.01140	0.7
165.01981	0.7
166.96152	0.3
167.05005	0.8
169.06592	1.0
171.04517	1.0
173.05992	0.4
175.03925	0.5
179.05608	0.7
183.04526	1.1
184.35139	0.3
185.06099	3.5
187.04024	3.4
189.05562	1.2
191.05608	0.6
195.04488	0.9
197.06125	1.2
199.04062	1.6
199.09624	0.4
201.05525	0.9
209.15350	0.4
211.04024	3.4
212.04672	0.6
213.05519	2.3
215.03529	0.4
223.04045	0.5
227.03522	40.7
228.03969	1.6
229.05074	13.1
239.03523	2.2
240.04141	0.7
241.05095	2.5
241.60078	0.3
243.03096	0.6
243.22174	0.4
255.03006	65.0
256.03607	5.9
257.04575	7.6
267.02948	1.4
269.04547	2.9
283.02487	0.6
284.03290	68.0
285.04050	100.0
286.04422	4.3
299.05606	0.6
327.05109	1.4
357.13477	0.4
371.20786	3.6
461.23843	0.5
469.52960	0.4
533.26147	12.2
593.15143	88.3
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	594.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92799	0.8
57.03454	5.3
58.02980	2.2
69.03457	1.0
74.02470	3.1
81.03467	2.5
83.01398	4.1
86.02488	1.9
88.47782	0.7
93.03459	1.8
95.05013	2.4
97.02953	3.5
99.04527	3.0
99.05647	2.8
102.05588	0.7
109.02955	2.7
109.04050	0.8
121.02934	2.7
123.04520	2.4
125.00665	2.8
125.02454	30.0
126.02781	2.3
128.03554	10.6
137.02457	21.1
137.03505	1.5
137.60474	0.8
138.02911	0.8
139.04008	3.9
139.99434	1.7
141.00175	13.3
143.04631	10.8
149.02460	8.9
150.03320	0.8
151.04031	1.2
153.00151	7.6
153.01938	3.3
154.00977	1.1
155.01698	2.7
159.04535	1.3
161.02441	3.4
164.01158	2.7
165.00150	19.3
165.01872	3.2
167.03510	10.7
167.04742	1.3
177.01974	2.3
178.02290	0.9
179.03490	5.0
179.04837	1.4
179.98911	2.0
180.99664	10.6
183.01225	15.6
185.05800	1.1
193.03296	2.1
200.04668	0.9
201.05534	1.6
203.03413	1.0
210.08865	2.0
215.07175	0.8
219.01129	1.0
235.04297	2.6
237.02148	0.9
243.06750	1.4
245.04613	1.0
253.05360	1.5
254.07840	3.6
272.06042	1.7
272.08899	27.4
277.05392	2.9
279.03235	1.2
288.06168	0.9
289.07040	1.2
290.07443	1.1
303.03354	4.3
306.07449	1.1
316.05557	1.0
321.04391	100.0
322.04681	2.6
408.07574	0.8
442.08661	1.7
594.13879	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	594.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17359	1.7
57.03448	10.4
57.24566	1.4
58.02974	6.8
61.66135	1.4
69.53593	4.1
74.02478	10.5
81.03463	2.3
83.01379	4.1
86.02489	4.3
92.30607	1.5
95.05054	1.7
98.22816	1.5
99.05641	9.3
109.02950	6.6
109.80254	1.5
121.02966	4.5
123.04518	3.2
125.02457	66.1
126.02825	8.0
128.02698	2.9
128.03549	29.9
133.03003	1.7
133.82503	1.6
135.05647	1.7
137.02457	12.6
139.03917	2.0
139.59087	1.6
141.00182	11.7
141.06723	1.8
143.03554	2.6
143.04636	43.2
146.04544	3.5
146.06146	2.2
149.02399	9.4
151.03970	3.1
153.00244	2.7
155.01614	1.6
156.99730	1.4
161.02419	8.7
164.01157	2.7
165.01926	5.2
166.10014	1.7
167.03494	3.0
175.03874	2.2
177.00470	2.2
177.01936	27.4
178.02303	10.4
179.03354	2.7
179.04655	5.6
183.01256	10.7
188.04451	1.7
201.05585	2.5
203.07109	2.6
205.05034	1.8
210.08891	9.3
238.07025	1.7
243.06651	2.5
245.08165	2.3
246.08583	1.6
254.07846	17.4
272.08884	100.0
273.04025	2.1
273.09271	1.5
274.04312	2.7
277.05365	3.7
287.05444	2.7
289.07132	11.8
290.07553	9.8
303.05118	2.4
306.07501	4.3
321.04413	49.3
322.04822	2.1
388.71426	1.9
407.07675	5.2
408.08057	13.8
425.08752	2.2
426.09149	4.2
456.10675	4.6
468.10345	2.7
472.87134	1.8
479.40802	1.6
594.13483	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	594.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21930	0.8
57.03452	6.4
58.02964	1.9
60.96215	0.7
69.03436	0.8
74.02482	2.9
77.87086	0.7
81.03477	1.9
83.01392	4.2
83.03664	0.8
83.10609	0.7
86.02487	1.4
87.05655	0.8
92.46068	0.9
93.03476	1.5
95.05035	2.6
97.02958	2.9
97.04047	1.0
99.04530	3.3
99.05664	2.6
109.02950	3.3
121.02994	2.9
123.04536	2.4
125.00681	3.3
125.02458	35.3
126.02808	1.5
128.03551	9.1
137.02454	23.7
138.98590	1.3
139.04042	4.1
139.99379	1.8
141.00175	11.8
143.04651	12.2
149.02472	9.4
151.00362	0.9
151.04001	1.6
153.00180	8.3
153.01941	6.1
154.01016	1.0
154.02333	1.2
155.01735	1.8
159.04568	1.3
161.02484	4.4
162.03018	1.2
164.01205	3.6
165.00165	18.0
165.01959	3.1
167.03505	13.0
177.00217	0.8
177.01921	2.4
179.03313	4.0
179.04756	2.3
179.98907	2.3
180.99675	11.2
183.01233	16.1
190.07280	0.8
191.01869	1.0
193.03337	1.6
195.01234	1.6
197.05977	0.7
201.05582	2.0
204.42310	0.9
210.08931	2.3
219.01215	1.6
235.04364	2.7
237.02245	1.4
243.06621	1.8
245.04575	1.0
250.44832	0.9
253.05321	1.3
254.07811	4.4
269.04523	1.7
272.08884	27.3
277.05362	3.1
279.03259	0.9
281.31854	0.8
289.07169	1.0
290.07553	1.1
298.04382	0.8
303.03375	3.0
306.07477	1.2
321.04404	100.0
322.04630	3.9
408.08246	0.9
594.14240	1.8
613.45996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49842	0.2
58.64487	0.2
59.01377	0.7
61.98835	100.0
69.20083	1.0
71.01385	0.3
72.76974	0.2
73.16753	0.2
96.96076	0.2
99.92564	0.2
101.02473	0.3
101.84301	0.2
113.02475	0.2
120.11722	0.2
143.24939	0.2
174.19946	0.2
230.82213	0.2
255.02956	0.3
284.71893	0.2
285.04022	0.4
312.50012	0.2
495.03757	0.3
510.86258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86627	0.4
57.96309	0.3
58.72334	0.3
59.01377	1.1
61.98835	100.0
71.01385	0.7
75.00882	0.9
88.98859	0.4
109.99799	0.3
135.04602	0.4
221.25661	0.3
269.04523	0.7
284.03189	0.5
285.03915	1.6
286.04526	1.5
594.14532	1.0
622.79828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85801	0.3
61.98835	100.0
73.28167	0.4
88.57347	0.4
96.68122	0.3
99.28668	0.4
101.55816	0.3
146.02588	0.5
153.64165	0.3
162.84532	0.3
214.47290	0.3
285.04065	0.4
286.04547	0.7
594.15265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.146
Annotation	Okanin 4'-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
57.03444	1.9
57.91831	1.2
59.01396	6.4
61.98838	18.0
65.00330	14.1
66.94504	1.1
70.68707	1.2
71.01389	3.3
83.01396	6.8
85.02964	1.3
89.02491	1.6
101.02475	3.2
107.01399	22.2
113.02462	2.2
117.03480	6.1
119.05049	5.0
125.02460	17.4
133.02969	4.3
134.03755	2.1
135.04543	77.9
136.04861	1.8
145.02966	31.4
148.00124	1.3
151.00385	100.0
152.00732	1.5
159.04547	3.7
160.24010	1.5
161.02449	21.8
163.04031	4.5
177.01979	3.4
193.05096	1.3
201.05710	1.4
225.05362	1.5
243.06664	9.5
269.04630	9.2
270.04984	1.3
285.04019	1.9
287.05634	44.6
287.08850	2.8
288.06140	1.7
299.76477	1.4
307.08209	16.9
426.45929	1.3
433.28110	3.0
443.13422	8.3
449.10974	12.6
469.11273	15.3
481.15244	2.0
551.15326	1.8
595.14526	32.8
595.23206	2.6
595.33252	3.2
596.15430	1.8
611.34698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1466
Annotation	Okanin 4'-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
52.62336	0.9
57.03459	5.2
58.87313	1.0
59.01376	2.8
61.98845	5.5
65.00332	15.3
69.06903	7.4
71.01392	1.1
72.46855	1.0
83.01388	6.4
86.86393	1.0
89.02449	1.3
98.22771	1.1
98.38416	1.1
99.04510	1.8
101.02422	1.1
107.01402	21.8
109.02952	1.3
117.03480	5.3
119.05056	5.3
121.02990	1.5
125.02467	16.3
133.02971	2.5
134.03690	1.4
135.04538	79.1
136.04840	1.9
145.02971	36.8
145.04121	2.2
150.03258	2.0
151.00386	100.0
152.00735	1.6
159.04533	3.4
161.02466	23.3
163.03987	7.0
165.05531	2.0
169.01454	1.3
177.01938	3.1
201.05559	1.3
243.06628	12.0
259.06183	2.1
268.03717	1.0
269.04596	2.8
271.22806	0.9
274.08539	1.7
287.05643	42.3
289.10797	1.8
297.09842	2.0
307.08261	16.7
314.17383	1.1
357.40454	1.2
369.06024	1.4
399.10904	2.9
443.13596	6.5
449.10904	12.4
469.11432	14.3
595.14587	30.2
595.32568	1.4
596.14856	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	595.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66059	0.2
59.01377	0.9
61.98835	8.0
63.02402	2.0
65.00346	0.8
66.74513	0.3
69.20560	0.6
69.20971	1.0
71.01373	0.4
71.20734	0.3
73.02949	0.5
77.21790	0.3
80.91673	0.3
82.95435	0.5
83.01388	0.3
85.02916	0.3
86.61803	0.2
93.03442	0.4
93.80968	0.3
96.96009	0.3
101.02431	0.5
102.11994	0.3
107.01418	1.2
108.02174	0.4
108.45100	0.2
109.02974	0.2
116.92887	0.3
117.03477	3.9
119.05072	0.5
121.02968	7.5
123.04530	0.4
133.03030	0.4
135.04555	0.6
137.02518	0.3
139.04082	0.3
145.02983	1.4
149.02464	0.7
150.03239	0.3
151.00380	0.9
152.01065	0.3
159.04517	1.2
161.02458	2.1
161.04530	0.3
162.03299	0.3
163.04037	0.3
165.05531	0.3
167.03532	1.2
169.06622	0.3
177.01961	0.5
178.99944	0.4
179.03467	0.4
181.06604	0.3
183.04550	0.6
197.06052	0.5
201.05519	0.7
211.04030	0.3
224.04869	0.3
225.05594	1.1
227.03540	0.5
246.48642	0.3
268.03754	4.2
269.04562	100.0
270.04883	2.7
283.15845	0.3
321.70963	0.3
419.46368	0.3
431.09763	0.4
473.10980	4.7
493.16776	0.3
577.13733	1.4
595.14142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.45629	0.1
61.98841	0.9
63.02405	1.3
63.86715	0.1
65.00025	0.1
65.00334	0.5
69.07862	0.8
71.01360	0.2
77.85928	0.1
83.01376	0.2
93.03458	0.3
94.27803	0.1
97.21574	0.1
106.33079	0.1
107.01395	1.4
114.10290	0.2
116.92850	0.2
117.03484	3.6
119.05038	0.5
121.02968	7.3
129.10730	0.1
130.37349	0.1
135.04532	0.5
141.27345	0.2
145.02965	1.0
149.02492	0.9
151.00404	0.9
159.04546	1.0
161.02477	0.7
163.03935	0.2
169.06619	0.3
171.04504	0.1
177.01933	0.2
179.03352	0.1
180.05833	0.2
181.06596	0.3
182.03699	0.2
183.04579	0.7
195.04483	0.2
196.05284	0.4
197.06079	0.4
199.04027	0.2
200.04730	0.2
201.05606	0.5
202.93797	0.1
203.03369	0.2
210.03224	0.2
211.04062	0.2
224.04871	0.3
225.05550	1.4
227.03441	0.4
239.03586	0.2
240.04253	0.2
241.05215	0.2
267.02911	0.2
268.03793	3.8
269.04565	100.0
270.04916	3.5
287.04968	0.2
307.08154	0.3
323.83841	0.2
377.21799	0.3
413.08926	0.3
417.47467	0.2
419.22946	0.6
431.09705	0.4
473.10934	5.4
474.11526	0.2
521.21362	0.2
577.13507	1.7
595.14288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92501	2.0
55.64299	1.7
59.01366	7.2
60.23260	2.0
65.00307	1.7
69.49160	6.2
71.01383	4.1
71.55598	1.7
75.00876	2.3
79.01915	3.0
81.03445	3.6
83.01394	5.0
83.30373	1.8
85.02948	5.1
85.48042	1.6
93.03438	9.8
95.01365	2.5
95.05045	2.1
96.96030	2.2
97.02935	5.1
99.00854	2.7
101.02454	3.4
107.01420	8.9
107.05045	2.3
109.02936	4.2
111.00851	2.0
111.04496	2.8
113.02516	1.9
119.03742	1.9
119.05045	45.7
121.02965	8.8
123.00861	2.6
123.04555	4.0
125.02452	13.8
133.02925	2.0
133.04848	1.7
135.04501	4.2
136.01648	1.8
137.02457	11.0
139.02991	1.9
139.04007	7.0
143.04961	5.2
145.02975	9.1
147.04510	3.6
149.02477	8.3
150.03148	1.7
151.00362	7.2
151.04083	2.2
159.04521	2.0
161.02455	1.8
161.06023	2.9
163.00365	4.5
163.03973	4.6
165.01941	5.3
167.03491	15.0
175.04039	2.2
177.01933	7.8
178.02780	2.2
179.03511	4.5
187.03996	7.8
187.33000	1.6
189.01941	1.7
191.03506	5.1
191.05592	3.6
192.00693	1.7
193.01440	11.4
197.04501	5.3
199.07814	3.3
205.01430	10.5
206.02220	1.9
207.02971	3.5
209.04558	6.2
213.27415	2.0
219.03011	5.0
221.04575	2.9
223.02539	2.7
227.07281	4.0
235.02527	17.1
239.05516	2.5
249.03938	2.8
261.04086	3.5
265.03574	5.0
267.06461	1.7
271.06094	5.2
283.06088	2.7
313.07263	21.4
325.07233	9.5
343.08356	9.1
355.08261	100.0
356.08496	5.8
367.08188	6.4
385.09302	88.2
386.09433	2.9
397.09290	4.9
415.10406	23.1
433.14984	2.4
457.11444	9.1
475.12537	37.5
487.12393	7.7
505.13406	13.0
535.23822	3.8
577.15405	5.4
595.16638	83.4
596.16821	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	595.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.4
59.01383	36.9
61.98833	76.1
69.14175	16.0
69.78344	2.2
71.01385	24.9
73.02940	8.2
83.01376	2.8
85.02956	12.9
87.00885	4.8
89.02460	24.4
93.03417	2.6
99.00890	2.5
99.04498	7.5
101.02446	21.0
107.01361	4.1
113.02476	11.2
116.92891	2.8
119.03521	9.5
125.02447	10.6
126.99567	8.5
131.08705	2.9
133.02960	4.6
135.04529	16.8
143.03490	3.9
145.02905	3.3
151.00427	15.2
161.02568	2.8
161.04536	6.2
163.07547	4.0
167.06340	100.0
177.02007	4.4
179.05594	11.6
211.05333	45.8
221.06712	3.4
271.16809	3.0
271.19421	2.7
287.05502	6.7
289.18024	7.3
323.09692	5.8
433.27902	12.4
449.10825	3.3
479.67920	2.4
595.14624	7.0
595.33636	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	595.2052
Annotation	Staunoside C
Peak:m/z	Relative Intensity
59.01382	5.6
71.01392	4.4
75.92778	0.8
83.01363	1.3
85.02963	1.0
89.02464	2.5
93.03437	1.1
93.35379	0.9
95.01371	1.6
97.02924	1.1
101.02436	3.0
107.05053	1.7
109.03017	1.2
111.00910	1.4
113.02454	1.1
119.03512	2.5
119.05022	1.0
121.02972	1.2
122.48010	0.8
123.00913	2.5
124.01701	1.8
125.02457	1.5
131.03482	1.3
131.04628	0.9
133.02969	1.4
135.04512	2.7
136.98776	1.3
137.02444	1.8
138.03191	4.7
139.00391	6.4
139.04002	2.7
143.03513	1.8
145.02943	1.8
147.04530	2.9
149.04529	0.8
151.00316	2.5
153.05618	1.7
161.02457	1.4
162.03204	1.4
163.04004	3.6
164.04649	1.0
165.05597	1.3
166.02745	5.8
167.03523	1.5
173.02380	1.1
175.04045	2.3
177.01984	1.5
177.05550	1.7
177.15257	0.9
179.03452	1.4
181.05002	5.5
189.01964	1.2
191.03542	2.9
192.04268	2.4
193.05116	2.7
203.03552	6.4
204.04305	2.0
205.05173	1.1
207.06625	1.3
218.05815	4.4
219.06584	1.8
221.04662	1.2
235.06148	1.1
251.09175	4.5
284.03424	1.6
285.04053	12.3
286.04410	9.4
287.04614	8.2
293.08823	1.9
339.08694	1.0
343.08096	2.4
355.08005	1.9
357.09842	1.4
358.10614	14.1
359.11472	1.4
370.10706	1.3
373.12949	28.4
385.13220	1.4
403.09692	5.2
403.14258	2.7
417.11905	1.9
418.12802	5.7
433.15073	100.0
434.15460	5.6
456.50284	0.9
565.15778	2.2
595.21594	32.3
595.29846	1.6
596.20581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50387	2.2
59.01385	100.0
69.34318	9.0
71.01386	64.1
73.02956	10.9
80.52872	2.4
85.02972	7.6
87.00903	5.9
88.15183	2.5
89.02455	98.4
93.03486	3.8
101.02444	48.0
113.02463	12.3
119.03510	7.2
119.04999	3.9
131.03508	31.2
133.03036	2.6
135.04568	5.5
149.04578	93.2
161.02437	3.0
161.04539	4.2
163.04079	3.2
165.04022	3.1
165.13113	2.2
179.11836	2.4
191.05646	21.6
245.92416	2.9
254.10184	2.4
257.96420	2.4
292.02905	2.7
311.09860	3.7
355.08328	4.4
370.43417	3.0
385.09216	4.5
400.10516	2.8
437.20313	3.9
475.12473	4.1
535.24023	9.0
595.17212	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	595.2893
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
56.37160	0.9
56.65037	0.7
62.35033	0.7
70.92571	1.1
78.95910	61.8
96.96972	13.1
105.70698	0.7
152.99605	100.0
153.99959	1.0
171.00620	1.9
206.15358	0.8
210.86693	0.8
223.00134	10.6
241.01202	28.1
259.02139	1.7
279.23318	64.7
280.23602	2.9
315.04892	19.5
315.07556	0.5
333.05692	1.3
595.28931	82.2
596.29132	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	595.2894
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.98344	2.5
61.98833	4.3
69.18149	15.6
78.91905	3.9
78.95912	78.2
86.62684	2.3
96.95984	3.4
96.96967	16.6
98.95621	4.5
99.80909	2.3
119.94720	3.1
150.75923	2.3
152.99606	79.8
158.94585	2.4
241.01221	37.5
279.23325	74.5
315.05038	11.5
315.08173	2.5
371.14569	2.4
415.22650	7.1
433.23611	3.6
583.19092	2.3
595.28918	100.0
596.29132	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	595.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66467	1.7
59.01388	100.0
71.01392	43.8
73.02966	3.0
75.00893	10.9
83.01399	2.4
85.02966	11.0
86.03956	2.1
87.00882	2.7
89.02454	40.2
91.18279	1.7
101.02444	25.4
113.02451	20.7
117.22345	1.8
119.03509	16.5
131.03479	2.8
135.04523	2.1
137.02495	4.9
143.03545	2.4
161.02451	2.7
161.04573	5.3
179.05630	7.8
190.83614	2.0
191.05591	2.3
273.13120	1.8
285.04056	9.2
286.04248	4.7
287.04517	4.2
319.13916	5.7
355.11829	2.7
394.11548	2.0
535.27679	84.0
536.27411	4.6
595.22272	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	596.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.41787	2.0
76.25276	1.9
97.46899	1.7
115.65527	1.8
145.13754	1.9
241.34102	1.8
246.61703	2.0
268.04016	2.0
269.04538	7.1
291.34427	1.9
348.28955	2.1
597.19824	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	596.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98833	100.0
62.91532	0.2
63.02414	0.6
71.01373	0.2
71.30669	0.3
74.74905	0.2
76.04976	0.2
77.67208	0.2
82.95411	0.3
97.05983	0.2
98.75812	0.2
105.03479	0.2
107.01413	0.7
117.03475	1.3
118.03829	0.6
121.02959	3.1
122.03310	0.7
125.02372	0.2
135.04489	0.3
145.03018	0.2
149.02502	0.4
159.04526	0.7
160.04828	0.2
161.02478	0.4
197.06093	0.3
201.05821	0.3
225.05605	0.3
226.05724	0.3
248.33246	0.2
268.03870	0.8
269.04541	23.2
270.04904	22.1
271.05228	0.8
274.03604	0.2
278.38745	0.3
312.05942	0.2
374.29160	0.3
473.10938	0.5
474.11185	1.5
578.14130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	15.1
63.27739	4.2
63.94529	5.0
71.01422	7.7
72.06241	4.2
72.64187	4.6
78.95914	19.5
83.05046	6.1
89.02496	8.2
89.13324	4.9
98.21788	11.2
99.04515	6.8
104.98079	4.9
111.04530	17.3
113.02473	15.8
152.99600	9.9
154.85883	5.4
155.03578	11.3
158.50255	4.7
207.95268	4.6
229.26923	5.6
251.66652	6.3
266.32159	5.2
277.21735	100.0
415.24817	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	597.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.1
56.39910	1.3
56.56562	1.3
57.03450	1.3
59.01385	20.9
61.98830	5.6
67.09736	1.3
68.99837	1.8
69.03458	1.9
69.13894	10.0
71.01392	15.3
72.99312	1.6
73.02969	5.4
75.00879	48.9
78.41113	1.6
78.67609	1.6
80.18471	1.4
81.03451	7.9
83.01382	8.4
85.02976	4.0
87.00893	4.6
87.51418	1.3
88.98817	3.7
89.02431	7.0
93.03471	5.3
95.01427	3.5
95.05051	6.2
97.02962	3.7
99.04535	1.6
101.02464	8.5
107.05049	2.7
109.02988	4.6
109.12566	1.4
111.04534	3.2
113.02460	7.5
119.03519	2.8
119.05039	6.5
121.02987	4.5
123.04549	14.4
125.02486	9.4
135.04559	7.0
136.07719	3.6
137.02469	4.6
137.06096	8.2
139.03981	9.8
147.04579	3.4
149.00856	1.4
149.06081	2.7
151.04007	3.0
155.10837	3.2
161.02472	2.6
161.06097	2.2
163.04094	3.6
165.05582	8.6
166.02785	1.5
167.03500	25.5
179.03505	9.8
180.04185	1.7
181.05078	2.0
189.05605	5.7
191.05618	3.4
193.05019	3.6
197.04564	5.2
199.09784	1.8
207.06627	1.8
209.04565	25.6
221.04604	4.3
231.11382	1.6
232.46924	1.6
239.05647	10.8
251.05594	3.3
259.14728	1.6
269.06668	2.9
273.07779	3.8
285.04086	4.8
285.20575	2.1
293.08829	6.9
301.20255	1.5
303.21881	9.7
315.08804	16.9
327.08829	8.0
345.09860	6.4
347.17136	7.8
357.09827	100.0
358.10138	4.6
369.09891	4.9
371.11145	1.7
387.10883	74.2
388.11456	3.3
399.10980	5.1
400.84000	1.7
417.12021	22.9
447.25702	2.9
459.13028	8.5
463.81580	1.5
465.27097	64.7
466.27307	2.1
477.14059	14.6
489.14075	5.7
507.15237	4.2
523.21838	2.6
579.21765	3.0
597.17798	8.5
597.26697	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.6
70.28522	1.5
70.28851	2.2
71.01390	10.1
73.02951	1.6
73.96301	1.0
82.96386	1.0
83.01376	1.4
85.02946	3.2
89.02415	1.6
93.03477	18.9
101.02444	7.4
113.02459	3.6
121.02998	1.4
122.03765	1.8
123.04539	100.0
124.04878	1.8
135.04503	2.9
137.02458	47.1
150.03226	2.7
153.05591	88.0
154.05928	1.6
164.85352	1.2
165.05571	2.9
179.03566	2.6
191.05542	2.5
195.06721	2.1
205.23462	1.1
281.06686	98.6
282.06854	2.5
345.13391	1.9
350.20139	1.0
357.13547	1.9
435.13028	63.3
436.13193	4.2
461.83273	1.1
472.63763	1.2
597.18536	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	597.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74517	1.1
59.01389	6.1
69.18470	3.5
69.18870	2.7
71.01393	6.1
73.02947	3.3
81.03456	1.3
85.02946	2.6
85.06568	1.0
87.00887	10.4
89.02491	1.3
93.03473	3.6
98.22633	2.3
99.00872	4.3
100.01669	2.9
101.02456	2.8
109.02996	1.5
111.00893	9.4
112.98821	4.5
113.02453	1.7
121.02969	2.3
122.03764	12.7
123.00897	5.2
123.04534	2.8
127.00465	1.1
133.02939	3.4
134.03714	1.4
135.04552	1.5
142.99850	2.9
149.02463	17.1
150.03238	82.0
151.00386	1.6
151.03923	3.3
153.05605	1.4
161.02449	4.4
163.04042	2.4
164.04796	8.0
165.05586	100.0
166.02744	3.5
166.05881	1.9
173.00917	4.2
173.04585	1.3
174.01698	4.5
175.04013	1.1
176.04770	3.2
177.01921	1.0
178.06348	2.5
179.03500	4.4
179.07147	6.1
180.04335	5.8
181.05130	5.7
190.02768	1.5
191.03485	3.8
191.05341	1.5
191.07095	1.3
192.04311	1.4
193.08778	2.2
194.05870	3.3
195.06635	44.8
205.05167	2.7
206.05872	2.5
207.06760	1.1
209.08264	3.7
219.03008	2.5
221.08125	4.6
229.08707	2.4
233.08232	1.0
246.05421	1.6
247.02370	2.0
247.06371	1.2
249.04015	1.6
249.07739	2.3
261.03958	1.7
262.04788	5.0
264.06491	2.6
265.07196	3.8
276.06393	2.5
277.07211	10.4
291.08688	1.3
295.08173	1.9
298.75443	1.4
312.09824	2.1
322.07083	1.5
327.12369	6.7
337.09326	29.7
341.77481	0.9
375.14444	1.9
400.10272	1.1
413.12775	1.2
461.14618	24.7
473.14560	3.4
491.15463	2.0
521.16937	2.4
526.93207	1.1
533.16681	3.1
543.64435	1.0
579.17010	8.8
597.18317	62.1
598.18732	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	597.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03518	1.8
57.82068	2.1
59.01384	9.7
71.01377	7.7
71.39844	2.1
73.02951	6.3
83.01389	5.6
85.02952	5.5
86.64288	2.2
87.00890	28.4
89.02441	3.3
93.03465	12.0
96.96055	2.6
99.00884	6.0
100.01682	3.3
101.02432	4.1
105.01939	10.7
105.03448	3.3
107.04994	2.3
108.02158	16.4
109.02962	14.1
111.00883	17.1
112.98814	5.7
113.02428	2.7
121.02951	3.1
121.43401	1.8
122.03753	13.1
123.00890	9.9
123.04546	6.0
125.02420	2.5
133.02966	20.4
135.04541	5.0
136.01678	2.5
137.02464	17.4
142.99876	4.9
147.02953	2.0
149.02448	22.5
150.03232	85.0
151.04007	10.3
152.01176	28.4
153.01923	8.0
161.02448	8.8
163.03999	3.7
164.04793	10.3
165.02000	2.9
165.05583	100.0
166.02675	4.4
167.03456	3.6
173.00977	10.2
173.02309	2.2
174.01732	4.3
175.04041	3.3
176.04739	6.1
177.01930	7.7
177.05634	2.5
178.06328	2.3
179.03484	7.6
179.07144	7.6
180.04282	8.9
181.05037	8.8
191.03523	6.0
191.07198	3.2
191.85727	2.1
192.04359	2.5
193.08751	2.7
194.05826	6.0
195.02986	7.1
195.06647	41.7
195.17183	2.4
205.05060	4.3
206.05907	5.2
209.08226	9.1
219.03082	2.7
219.06657	2.3
221.08203	8.4
223.06119	2.1
247.02515	6.0
249.07843	3.4
261.04022	4.4
262.04758	6.3
264.06351	5.1
265.07108	5.6
267.05087	4.1
267.64996	2.1
276.06384	4.2
277.07047	12.8
281.06708	5.0
295.08008	2.2
315.07230	3.6
315.80930	2.2
321.04315	6.4
337.09268	34.7
338.09726	2.0
369.13480	12.1
413.12460	4.4
435.09088	20.7
443.13351	4.1
461.14621	31.1
473.14426	4.0
485.14413	3.1
521.16705	4.2
533.16718	11.1
579.17285	16.7
597.18518	88.6
598.18079	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	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.4
61.98820	1.3
65.80618	1.3
70.93410	1.5
71.01398	7.1
73.02949	4.4
73.96743	1.4
83.01392	3.9
85.02967	5.1
87.00884	33.6
89.02475	1.7
93.03463	3.7
96.96062	1.5
97.02938	1.7
99.00889	5.1
100.01658	2.0
101.02451	6.0
103.00381	1.4
109.02958	2.2
111.00906	32.2
113.02460	1.5
121.02966	4.9
121.51740	1.3
122.03754	12.1
123.04503	2.4
129.02011	1.7
131.03485	3.2
133.02946	3.0
135.04504	2.4
136.01639	1.8
137.02403	2.5
138.03244	1.8
147.03011	1.8
149.02469	25.7
150.03242	84.1
151.04056	8.5
153.05557	2.3
161.02467	4.9
163.04015	2.2
164.04839	15.6
165.05588	87.2
166.02722	1.8
174.01807	2.0
176.04808	1.4
177.01892	1.8
179.03534	6.1
179.07181	12.2
180.04298	6.9
181.05072	7.2
191.01917	1.8
191.03542	2.8
191.05583	3.3
191.07159	1.7
193.08763	1.9
194.05844	6.9
195.06639	28.2
203.09712	1.4
205.05057	2.5
209.08176	4.9
219.03011	2.6
219.06615	2.0
221.08095	2.1
222.02882	1.4
234.05424	1.6
247.02425	1.4
247.06035	2.1
249.03958	4.1
249.07727	4.6
261.07642	1.4
264.06406	12.9
265.07074	8.2
277.07257	2.7
279.08911	2.0
280.43939	1.4
337.09238	10.7
357.13336	3.5
400.10349	1.7
413.12433	8.0
461.14606	66.9
462.14972	3.4
487.16147	3.5
505.17184	3.9
521.16766	6.9
579.17194	8.9
597.18341	100.0
598.18549	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	597.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
58.09875	1.0
59.01382	23.4
61.18129	0.8
61.98827	3.4
64.06600	0.9
68.99828	4.7
71.01391	2.0
71.40854	1.1
72.81892	0.9
72.99292	1.0
75.00906	1.1
85.02942	1.1
85.79170	0.9
87.00868	1.6
89.02455	2.3
95.01357	0.9
105.01913	1.9
105.03484	1.1
107.01328	0.9
108.02179	9.0
109.02943	2.5
121.02961	3.3
122.03754	2.0
123.00863	2.8
123.04529	13.5
125.02467	2.0
132.02170	2.2
133.02954	5.2
135.04474	5.6
136.01640	1.0
138.03262	1.2
147.04463	1.0
149.00911	4.5
149.02432	1.5
150.03217	7.6
151.03931	1.7
161.02463	6.3
162.03198	5.4
162.51633	0.9
163.04051	5.5
164.04774	1.9
165.01927	2.9
165.05562	2.8
166.06354	6.7
167.03508	1.8
177.01961	2.7
177.05603	15.4
178.02733	15.5
179.03514	7.4
180.04071	1.3
181.08691	4.3
193.05070	28.8
194.05797	4.4
221.08174	1.1
241.04875	0.9
243.06734	1.2
249.79300	0.9
267.05258	2.2
269.04556	2.9
270.05630	1.1
281.98691	1.0
285.03922	1.3
286.04282	2.1
287.04633	2.3
288.04782	1.5
293.08795	1.6
295.02603	2.2
335.76965	1.1
345.13470	5.2
357.09692	3.0
357.13660	1.6
373.13260	1.0
375.14508	100.0
376.14786	3.7
387.10809	2.2
421.09238	8.6
447.07224	3.7
465.26962	4.4
490.96365	1.0
597.15863	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	597.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50132	0.6
61.98842	3.4
69.78232	1.6
69.78587	1.3
93.03460	0.9
101.34896	0.6
105.84378	0.7
111.86487	0.7
121.02970	3.9
132.02219	0.9
147.04547	1.2
148.01645	1.3
149.02449	38.5
150.03221	2.1
152.38132	0.8
153.05539	1.0
159.04549	1.6
160.01851	0.9
161.02510	0.9
163.04005	1.0
164.04793	10.8
175.03998	1.7
176.04736	0.8
177.05649	5.2
179.07193	1.7
190.06345	1.4
192.07919	1.2
213.05603	0.7
219.06525	1.2
220.07523	0.8
224.06973	1.1
238.06406	0.8
238.10899	0.8
238.82913	0.7
240.07939	1.5
250.06238	1.0
253.08615	0.9
256.07474	0.9
267.06586	1.9
267.10294	1.0
268.07364	5.0
279.10254	1.1
280.07422	1.4
283.09647	3.5
284.06943	1.1
286.22098	0.9
293.08206	1.7
294.05374	0.7
295.09573	1.4
296.06979	1.9
296.10782	1.3
297.07715	1.8
297.11322	4.1
299.09357	0.9
306.07965	1.0
307.09976	3.4
308.06897	2.7
308.10526	5.3
309.07709	1.8
309.11276	1.9
310.08423	1.2
311.09201	1.6
311.12766	1.2
312.06512	4.9
312.09531	0.9
313.10730	1.1
323.09351	5.0
324.06360	2.5
324.10074	3.4
325.07227	1.3
325.10828	7.5
326.11603	12.4
327.08777	8.7
327.12201	1.3
328.09402	1.2
337.10757	1.6
338.11627	1.4
339.08713	14.2
339.12521	3.4
340.09448	1.5
341.10422	0.8
341.13895	4.2
342.11136	9.3
343.11526	1.0
354.11121	5.5
357.13464	25.0
358.13995	0.7
369.13480	26.4
370.13937	1.2
443.15164	0.9
457.12997	3.8
458.13461	1.2
461.16342	3.8
472.15045	2.5
473.15930	1.0
475.13748	2.1
487.17783	5.2
489.15555	2.9
490.16467	2.0
491.17432	1.0
505.18707	21.3
506.19110	1.7
517.18640	5.2
520.17444	0.9
535.19794	100.0
536.20197	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	597.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	31.1
61.98830	55.4
69.16098	21.8
69.16512	29.2
71.01382	11.2
72.99297	11.5
89.02456	10.2
101.02420	19.3
112.98856	8.8
113.02465	11.3
116.32685	8.5
121.02982	8.1
135.04462	10.2
138.03256	17.2
141.46880	8.0
149.67912	7.3
150.03209	22.7
153.05540	20.8
155.10770	29.7
164.04944	8.2
165.05544	11.9
177.05525	9.1
179.05655	9.6
191.05649	9.8
195.06595	10.5
199.09749	23.7
227.42026	7.1
249.19968	8.7
276.85895	7.2
561.29199	32.8
567.18994	8.8
579.18500	17.5
597.26807	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	597.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22672	12.6
59.01371	54.8
61.98841	75.3
69.13213	80.2
71.01403	26.9
74.09897	13.6
74.10538	13.6
83.38638	12.3
89.02433	21.9
95.92442	11.8
98.21964	29.3
98.37014	13.7
98.94541	14.6
101.02407	32.3
113.02441	16.7
149.17430	13.1
153.05603	17.0
162.03282	64.9
165.05550	17.4
165.10368	13.2
175.03795	13.0
177.05589	55.1
179.05600	45.0
185.97177	14.3
374.72534	12.7
387.37067	13.6
464.13016	15.0
561.29468	29.6
579.18445	23.6
597.26538	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	597.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47191	4.6
59.01385	71.0
71.01392	46.6
71.05027	15.9
71.40144	4.7
73.02949	22.2
83.01395	7.3
85.02985	10.3
87.00889	27.3
89.02453	53.9
93.03473	7.2
98.76578	5.2
99.00891	23.1
99.04537	7.0
101.02464	27.5
111.00869	8.3
113.02448	11.5
122.03735	6.7
123.00852	5.9
125.02444	7.7
131.03529	13.8
137.02454	5.2
149.02470	12.2
149.04582	17.3
150.03246	83.4
151.00357	7.2
161.02429	7.3
161.04541	5.5
164.04814	9.9
165.05588	76.8
166.02672	5.5
176.04803	7.2
179.07085	7.5
180.04308	7.2
181.05104	10.8
191.05602	15.3
195.06619	47.1
200.95348	6.4
209.08047	5.7
312.15408	5.1
337.09412	24.1
461.14627	28.5
537.25586	100.0
538.25830	9.0
551.26080	8.0
562.48517	6.2
579.17059	8.6
597.18311	69.7
598.18170	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	597.3052
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
57.88029	1.6
59.01381	10.1
59.82371	1.5
69.89196	5.2
78.95905	71.4
83.54046	1.8
86.94028	1.7
96.96960	15.4
103.01477	8.4
123.15714	1.9
127.08256	1.7
133.86815	1.6
152.99597	100.0
171.00612	3.7
217.63181	1.8
223.00026	10.1
241.01180	26.8
281.21765	3.5
281.24869	70.6
282.25021	2.8
315.04910	15.5
471.34409	3.0
597.30273	89.8
598.30914	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76267	0.4
59.01394	1.9
61.98829	4.9
69.24625	0.9
69.25028	1.3
69.48489	0.4
71.01376	1.3
72.99291	0.4
75.00896	0.6
81.03466	14.3
83.05033	40.3
88.98802	0.5
89.02431	0.9
98.21876	0.8
100.07680	5.7
101.02464	0.9
104.86768	0.4
113.02454	0.6
126.05618	1.2
135.04544	0.7
182.15567	0.6
191.05598	0.5
199.18170	7.5
207.15051	0.7
224.17699	0.6
225.16101	9.1
231.40094	0.4
243.17145	20.0
266.51074	0.5
269.15048	1.4
309.21851	1.1
315.64526	0.4
353.20859	6.2
433.31522	0.5
449.22250	0.4
451.33063	2.3
452.32465	0.4
469.33951	14.2
470.34021	0.6
579.37573	3.3
597.38715	100.0
598.39069	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	598.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27867	1.3
56.51134	1.4
56.77289	1.5
58.02984	11.9
61.98843	1.7
66.13879	1.3
70.58952	2.6
72.00889	1.4
72.97532	1.7
74.02483	20.9
80.42499	1.5
81.04593	1.6
82.02974	2.9
85.67291	1.2
86.02481	8.9
86.06133	2.3
87.05636	3.1
91.42743	1.6
97.04083	2.8
99.05657	17.9
101.07232	3.7
102.05591	2.6
109.04081	4.7
109.07741	2.1
111.05624	1.8
120.05367	1.1
121.02917	2.5
123.05692	2.9
125.03541	1.6
127.05121	2.3
128.03560	58.9
135.04599	2.9
135.05649	7.7
135.06544	1.7
135.33543	1.3
136.01678	2.4
137.07198	1.3
137.67630	1.5
141.06754	1.7
143.04642	72.2
145.06194	2.1
146.04648	8.3
149.02443	3.5
149.07213	1.5
150.03098	1.6
151.04027	1.8
153.06694	3.5
166.02702	1.3
166.09836	4.1
167.04614	3.7
167.08298	2.9
170.03358	1.3
171.04196	1.5
175.04001	1.8
179.04648	20.4
181.06291	1.5
190.06180	2.2
192.07788	1.4
197.05685	2.0
210.08884	18.2
228.09743	1.6
254.05321	2.7
254.07838	44.1
256.11517	1.6
272.08893	100.0
291.19705	2.7
325.18256	3.6
387.14319	1.9
469.23865	4.5
506.19312	2.3
536.20020	14.3
580.27087	4.0
598.28156	28.6
629.34094	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	598.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	9.8
61.98836	12.4
66.03489	1.0
69.20010	3.3
70.02966	0.6
71.01340	0.7
72.00935	0.9
74.02477	21.8
81.04604	1.1
82.02991	1.6
84.04549	1.4
86.02478	8.7
86.06133	1.5
86.99111	1.8
87.05646	4.2
88.04070	1.1
90.00202	1.9
96.04587	0.8
97.04087	2.5
99.05653	17.1
101.07215	2.8
102.05601	2.6
107.06150	1.1
109.04099	3.3
109.07734	0.6
111.05666	2.0
112.04052	2.3
113.03568	0.7
116.01785	1.4
123.05676	1.7
124.04070	1.2
125.03553	2.0
126.01964	0.6
127.05141	3.4
128.03560	49.4
131.04646	1.2
135.05659	4.7
137.07214	1.5
141.06721	4.2
143.04645	60.5
145.06204	2.6
146.04596	5.8
149.07237	0.9
153.06714	3.3
155.08237	0.9
160.00760	16.9
166.09837	3.0
167.04659	3.6
167.08275	2.3
170.03419	0.8
171.04134	0.9
171.07777	0.7
177.03415	6.2
179.04643	14.2
181.06200	1.4
184.11011	0.9
185.05656	2.3
192.07794	1.3
197.05719	2.2
198.08836	0.8
210.08852	12.5
228.09941	0.9
231.04379	0.7
236.06836	0.6
242.07825	1.8
254.07852	21.6
272.08896	38.0
288.06628	10.0
306.07675	100.0
307.07947	2.5
448.14038	0.5
536.20624	0.6
580.26819	0.9
598.19452	1.0
598.28070	10.2
622.59570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19312	0.9
61.98836	100.0
64.92579	0.8
72.41629	0.7
78.95918	1.3
85.99557	0.8
98.21783	1.5
100.50644	0.7
105.32854	0.7
118.01800	0.8
146.30360	0.8
167.91338	0.8
187.28894	0.8
190.00845	0.8
321.86865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35710	0.4
55.25158	0.4
59.01383	1.7
61.98835	100.0
69.82092	1.3
71.01380	0.6
71.92738	0.4
73.02969	0.4
74.02476	0.6
77.62325	0.4
98.22634	0.5
133.02974	1.5
135.04564	0.7
137.09763	1.0
146.03787	1.4
147.04123	0.4
150.03259	2.3
151.03981	0.7
155.10771	3.5
156.11131	1.7
161.02467	3.9
161.06099	0.6
164.04858	1.1
165.05566	1.5
166.06155	0.5
177.02010	0.4
179.03539	0.8
179.07227	1.4
195.06671	0.9
199.09790	0.9
199.71158	0.4
200.10016	0.5
209.08221	0.9
274.93210	0.4
311.27841	0.4
370.29413	0.4
373.25864	0.7
381.46164	0.5
389.61301	0.5
437.11203	1.6
472.57697	0.5
598.26080	6.1
599.14410	0.9
599.26807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.38087	0.9
102.95698	1.5
103.01504	80.2
168.76843	1.0
255.23257	1.7
277.01175	1.1
289.42889	1.0
292.44974	0.9
319.17203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.7
61.98833	22.5
62.72932	0.6
63.02391	0.9
65.00320	0.9
71.01376	1.6
85.02950	0.8
93.03446	0.8
98.22681	2.0
107.01374	2.4
117.03474	24.7
119.05032	10.4
121.02934	1.0
123.04492	0.8
133.02919	0.9
133.06552	0.8
135.04532	1.0
145.02959	60.0
146.03302	1.1
149.02444	3.1
150.03186	0.7
151.00362	11.5
155.10730	0.9
159.04518	1.9
161.02472	3.7
161.06017	1.3
163.04044	8.0
165.05559	1.2
183.04486	1.2
185.02182	2.9
187.03879	0.9
205.02596	0.8
213.21788	0.7
223.03874	0.7
224.04707	1.9
225.05560	1.6
227.03366	1.4
268.03796	19.9
269.04556	79.7
270.04874	2.3
284.03290	1.6
285.03983	2.2
291.02768	30.0
292.03076	1.4
307.08224	8.7
309.03613	1.0
333.03741	0.8
353.02844	1.1
413.08923	1.0
431.09753	2.2
457.13751	0.8
534.04773	0.9
535.01910	0.7
599.11664	100.0
600.12115	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	599.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	4.1
63.02408	1.6
65.00322	2.2
71.01375	1.2
79.81059	0.6
83.01371	0.8
89.21238	0.7
107.01392	3.7
117.03473	22.7
119.05037	12.3
121.03008	1.2
125.02442	0.9
145.02971	56.7
146.03300	1.2
149.02431	2.5
151.00383	9.1
159.04512	2.1
161.02448	1.5
161.06129	0.9
163.04039	9.0
183.04532	1.0
185.02194	4.0
199.03810	0.7
205.02995	0.7
205.04967	1.2
224.04819	1.7
225.05571	2.0
227.03517	1.2
235.06111	1.0
239.03429	1.2
241.04799	0.9
247.03712	1.4
268.03793	18.4
269.04565	75.7
270.05014	3.3
291.02783	31.6
307.08261	13.8
308.08673	1.1
309.03735	1.6
329.06464	0.9
431.09888	1.0
453.47910	0.7
458.10587	0.8
507.47015	0.7
599.11755	100.0
600.12140	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	599.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65810	1.0
57.03453	1.2
57.28246	0.9
58.29849	0.9
59.01389	8.5
60.99310	4.9
61.98837	24.9
63.94379	0.9
67.01901	17.7
69.03461	3.9
71.01390	8.2
73.15430	0.9
74.05522	0.9
75.00851	1.4
77.17697	1.0
81.03468	9.0
83.05034	19.2
84.05365	2.8
85.02952	4.7
86.06136	0.8
87.00887	15.7
89.02456	2.0
93.03472	100.0
93.70856	0.9
94.03796	1.0
94.55304	0.9
95.01425	1.0
95.05007	0.9
96.96021	9.5
99.00890	2.7
99.04530	1.6
100.07700	2.1
101.02440	2.3
105.03474	1.1
105.77905	0.8
108.02187	1.9
109.02952	3.7
111.04534	12.2
113.02428	1.7
121.02940	2.5
123.04485	1.1
123.73108	0.9
124.01608	1.0
129.01949	2.5
131.03510	0.9
133.02991	10.2
134.03757	4.9
135.04543	42.3
137.02455	4.7
143.03575	1.1
148.23219	0.9
150.03249	1.9
151.04018	2.8
153.01924	0.9
155.03540	4.6
159.04498	1.5
160.01686	1.2
161.02437	11.0
173.04578	59.2
177.01961	5.3
178.02667	3.2
179.03510	23.2
188.04802	1.2
191.05640	47.1
199.18053	1.2
200.18394	1.1
215.05609	5.4
221.08272	1.8
221.99147	0.9
225.16058	2.6
226.16490	1.0
239.79491	0.9
243.17162	5.2
244.17427	3.7
247.68179	0.9
261.75601	0.9
285.04147	6.8
286.04291	1.4
307.08203	1.8
308.09030	3.8
319.09717	2.6
351.07156	14.1
352.07907	3.0
353.08655	3.2
354.21021	2.1
363.08621	1.3
378.34149	0.9
407.07910	1.8
469.34027	1.6
470.34164	3.5
581.39087	1.1
587.65631	1.2
598.39203	35.8
599.14063	73.7
599.39380	12.9
600.14417	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	599.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.5
60.99318	3.8
61.98832	10.7
65.03982	1.2
67.01893	13.5
69.03465	5.2
71.01390	6.2
73.02964	1.3
80.91682	1.3
81.03468	3.2
83.05029	3.3
85.02952	5.9
87.00886	15.3
93.03468	82.9
94.03831	1.3
96.96035	4.6
99.00905	2.2
99.04562	1.3
101.02430	1.1
105.03493	1.5
108.02155	2.5
109.02987	5.8
111.04529	10.5
113.02445	2.5
124.01646	2.4
125.02465	1.5
129.01956	2.4
133.02969	13.5
134.03766	3.7
135.04543	62.3
136.05273	3.0
137.02464	2.7
149.02399	1.6
150.03242	3.2
151.03990	5.3
155.03458	1.4
159.04417	1.3
161.02481	11.9
165.05609	1.5
167.03465	1.2
173.04562	32.8
173.93195	0.9
177.01958	4.0
179.03528	19.7
180.04224	1.8
191.05632	100.0
192.05991	2.3
215.05594	8.7
224.55664	1.0
255.02997	2.6
285.04074	2.3
290.07944	1.9
307.08276	4.4
308.09128	7.7
319.09790	3.1
337.10901	1.5
351.03174	2.2
351.07269	30.9
352.07944	9.4
353.08725	10.3
363.08694	3.9
381.09641	1.4
407.07770	8.4
425.08792	1.3
444.97375	1.4
447.09271	2.0
515.27753	1.3
599.13995	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	599.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30217	0.5
59.01382	4.1
61.98839	2.9
71.01391	1.3
77.55064	0.6
79.95744	21.4
85.02974	1.0
89.02474	1.3
94.28138	0.5
95.95245	2.1
96.96021	100.0
98.22646	1.2
101.02457	0.9
110.97611	1.2
113.02454	0.8
116.64742	0.5
119.47063	0.5
122.97607	1.4
127.05200	0.6
134.03767	0.6
137.02510	0.5
147.57237	0.7
173.83557	0.6
179.03568	0.9
186.40695	0.5
191.05666	1.1
260.03708	0.9
285.04044	0.7
341.10336	0.9
419.08023	0.7
437.09296	3.6
450.46564	0.7
589.58252	0.7
599.14441	83.8
600.14728	6.2
604.34363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
59.01387	0.7
61.98838	6.3
66.60242	0.2
69.21210	1.1
71.01389	0.9
72.99287	0.3
73.02950	0.7
78.69068	0.2
79.52553	0.2
79.95744	4.3
80.96529	1.6
81.03465	0.5
83.01392	0.3
83.05036	1.2
85.02947	0.4
87.00895	0.5
89.02496	0.2
94.98109	0.5
95.95303	0.4
96.96023	100.0
100.07707	0.3
101.02462	1.1
108.02274	0.3
109.02979	0.3
113.02456	0.6
121.02969	0.3
122.43333	0.3
122.97606	1.0
123.04611	0.2
135.04613	0.3
136.01694	1.5
138.31299	0.2
138.97092	1.0
150.03271	0.3
150.97076	0.5
151.04031	1.8
152.01245	0.2
152.98662	6.4
161.02481	0.3
164.43564	0.2
166.96594	0.3
167.03479	0.4
171.36734	0.2
180.98160	1.6
193.04980	0.3
211.06200	0.2
213.70638	0.2
241.00258	32.8
242.00531	0.7
243.17079	0.3
256.36780	0.2
269.04562	0.4
357.13525	0.3
370.61023	0.2
374.76016	0.2
470.34378	0.3
499.67352	0.2
598.39276	2.9
599.14453	40.4
599.39520	0.8
600.14795	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	599.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
61.98828	8.3
69.42258	1.6
71.01381	1.5
73.02924	0.6
79.95725	3.9
80.96523	1.3
84.15913	0.5
84.95142	0.7
87.00859	0.7
88.98795	0.7
89.02438	0.9
95.95258	0.7
96.96017	100.0
98.21874	1.0
101.02452	1.0
108.02210	0.6
109.02980	0.5
113.02448	0.8
122.03760	0.8
122.97604	1.5
134.03703	1.1
135.04558	1.6
136.01697	1.4
137.02444	1.1
138.97070	1.0
149.02412	0.6
150.03252	1.1
150.97044	0.6
151.04031	1.7
152.98659	6.6
153.05542	0.7
161.02490	1.4
162.03233	5.0
165.05588	1.2
177.01953	0.9
177.05577	4.7
179.03447	0.7
180.98100	2.1
181.04991	0.5
195.06606	1.0
241.00247	34.9
269.04456	0.8
272.55054	0.6
287.07260	0.5
335.14026	0.6
516.43298	0.7
599.14386	51.0
600.14392	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	599.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91137	0.5
57.03446	0.4
59.01384	5.5
59.12860	0.4
61.98825	1.6
62.64000	0.4
66.99775	0.5
69.03470	1.0
69.15323	0.4
69.43343	2.3
71.01388	7.6
73.02936	0.9
75.83088	0.4
83.01411	0.5
83.05028	0.6
85.02949	3.0
87.00898	1.2
87.04507	0.6
88.70776	0.5
89.02439	2.7
93.03474	2.7
94.03804	0.5
100.26764	0.5
101.02444	3.1
105.03465	0.8
105.29248	0.5
105.76376	0.5
109.02911	0.7
111.04512	0.8
113.02448	3.1
117.03474	0.9
119.03498	0.4
125.02431	1.1
127.04005	1.3
131.03526	2.7
132.02173	1.4
133.02972	29.7
134.03722	1.6
135.04538	9.1
143.37692	0.5
149.02438	1.2
149.06104	0.6
161.02460	100.0
162.02789	1.9
165.05539	0.6
173.04514	1.9
173.05829	0.5
177.05611	1.3
179.03491	7.6
191.05611	4.2
195.06627	0.5
201.11316	1.4
203.03493	0.5
221.04533	1.1
250.83443	0.5
251.05658	1.0
263.11200	0.5
275.07718	1.9
281.06766	1.3
285.51682	0.5
305.10825	0.6
319.09586	0.7
329.13971	2.0
341.08826	1.3
410.25748	0.5
413.10690	0.7
437.12509	1.9
438.11475	0.6
443.11926	2.5
455.11835	0.7
539.46307	0.6
551.76862	0.5
568.87640	0.5
599.16144	40.2
600.16260	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	599.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33236	10.3
59.01383	49.6
61.98837	25.6
70.17596	24.9
70.17934	11.9
71.01392	29.2
73.02966	13.7
89.02445	73.1
94.27531	12.4
99.00882	17.8
101.02451	31.3
102.38020	11.4
122.33355	12.7
131.03485	17.8
149.04576	100.0
155.10738	12.0
165.01961	15.1
238.72145	11.6
239.78534	14.9
269.04437	18.5
293.78149	11.0
311.09686	13.8
479.97443	13.5
480.37909	12.8
599.20660	52.4
599.29541	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15274	0.9
59.01385	55.9
59.91084	1.0
69.24997	2.6
69.25404	3.8
71.08067	1.1
91.89461	1.0
115.89545	0.9
121.03005	2.4
122.03764	1.7
124.00740	1.1
132.65564	1.0
134.28362	1.1
138.26074	0.9
149.02461	41.3
150.03230	15.5
164.04848	10.9
165.05583	18.5
166.06396	2.4
167.07172	2.1
181.08682	1.6
195.06641	13.5
283.09802	2.2
283.49481	1.3
285.11493	1.2
314.11606	22.4
329.13943	100.0
330.14291	2.8
339.57025	1.7
377.16061	38.8
378.16507	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	599.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53238	1.0
50.97751	0.9
55.73579	0.8
59.01385	13.1
61.98837	17.5
63.00729	0.9
71.01394	6.6
73.02940	4.7
79.27508	1.0
81.93163	1.2
82.95428	1.9
85.02938	2.9
87.00845	1.1
88.98839	1.1
89.02431	4.6
96.96006	2.3
101.02459	4.6
103.01488	1.8
107.29109	0.9
113.02453	1.9
114.15443	0.9
119.03493	1.7
121.02955	9.3
128.03552	1.3
135.04468	2.1
135.08176	4.9
137.09734	21.4
155.10796	70.8
156.11058	1.9
165.05528	1.0
166.06367	38.8
167.07066	1.6
181.08711	14.9
199.09781	14.4
209.11797	1.7
213.11302	3.3
223.09828	1.3
259.09662	2.0
327.21359	1.2
385.14420	1.1
417.17456	2.6
437.23196	1.4
563.29938	1.5
599.27032	100.0
600.27228	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	600.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
61.98835	100.0
64.07594	0.6
69.66931	2.7
71.65269	0.6
98.50111	0.7
121.02944	0.7
142.77016	0.8
153.43611	0.7
179.03506	1.1
508.20789	1.3
538.22083	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	600.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89672	0.9
61.98834	100.0
69.10383	5.3
69.10799	1.8
77.00868	1.0
92.02603	0.8
132.56172	0.9
133.58954	0.9
144.38031	1.1
169.94618	1.0
176.22475	0.9
255.23097	1.4
351.11838	1.0
477.73724	1.1
518.60217	1.1
571.47705	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
57.03450	0.6
57.61163	0.4
59.01387	0.8
69.20596	1.4
69.21014	1.3
71.01384	0.9
73.02931	0.6
79.95745	5.1
80.96523	1.7
87.00888	0.7
89.02459	0.5
94.98035	0.4
95.95229	1.1
96.96017	100.0
98.22652	0.8
101.02448	1.4
110.97570	0.8
113.02412	0.5
113.99615	0.7
122.97552	1.0
125.02458	1.4
137.02484	0.5
138.97107	0.7
149.02409	0.5
150.97108	0.6
152.98648	6.3
161.02412	0.9
180.98087	1.5
209.04738	0.5
241.00235	28.9
265.03287	0.5
280.05978	0.8
295.08191	1.6
329.14130	1.0
439.10709	2.5
601.16010	54.1
602.16064	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	601.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31062	0.4
59.01388	1.4
61.98821	1.9
62.20741	0.5
66.00171	0.5
68.30029	0.5
70.40194	0.4
70.88699	0.4
71.01426	0.5
79.95746	14.1
95.95241	2.1
96.96019	100.0
98.21874	1.0
105.46861	0.5
105.72419	0.4
109.02924	0.5
110.97586	6.7
121.02947	0.5
122.97583	0.6
127.93732	0.5
165.13974	0.4
215.03287	0.4
259.02887	0.8
260.03632	1.7
264.76208	0.5
283.09793	1.7
285.04227	0.5
295.09567	0.8
311.09244	3.9
312.09946	1.5
313.11047	0.8
315.12485	1.1
326.11670	5.2
327.12384	2.0
341.14029	2.8
343.11905	1.1
393.06512	1.4
406.07318	1.0
407.08139	3.1
408.08621	0.6
409.09482	1.0
421.09631	4.5
439.10446	1.0
601.16028	89.0
602.15985	4.6
602.23376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08081	0.9
55.90869	0.8
55.94520	0.8
59.01382	2.2
61.98836	2.0
65.29332	0.9
71.01385	1.3
72.07269	0.8
79.95751	13.5
80.11555	0.9
85.02967	0.9
95.95236	1.8
96.96024	100.0
110.97602	8.5
115.00463	0.9
133.01421	3.4
133.02980	2.8
133.70979	0.8
134.03754	0.9
135.04517	3.3
150.03218	2.5
161.02382	1.7
165.05573	2.1
173.08244	1.0
177.01944	1.4
179.03506	4.9
179.07091	1.8
187.54465	0.8
191.05621	2.1
195.06651	3.0
247.22778	0.8
260.03647	2.1
269.08176	1.0
273.04254	1.2
299.09314	1.8
313.10693	2.1
314.11624	2.0
315.12241	1.5
326.11633	1.4
328.13058	2.2
329.13950	3.7
383.96558	0.9
393.06525	1.1
394.07379	2.2
408.08823	3.2
409.09686	9.7
421.09723	2.0
439.10693	20.1
440.11261	1.1
453.10632	1.2
596.13165	0.9
601.16016	87.3
602.16187	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	601.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.9
60.01699	0.6
61.98834	3.3
69.03450	0.8
69.26881	2.2
71.01395	3.9
73.02983	0.6
73.83650	0.4
79.95737	0.9
82.95437	3.1
85.02953	1.3
87.00890	0.5
89.02467	2.6
93.03458	0.9
96.96032	4.5
98.21964	1.0
101.02451	2.5
102.56522	0.5
110.97573	0.6
111.04590	0.5
112.01670	1.1
113.02490	3.7
119.05040	100.0
120.05386	1.0
131.03542	1.0
133.03003	1.5
134.76793	0.6
135.04546	2.4
143.15845	0.5
149.02475	2.5
150.03127	1.1
151.03166	0.5
161.04601	1.3
163.04027	64.4
163.87311	0.5
164.04446	0.8
165.05548	1.7
166.05956	0.6
173.04472	0.6
177.01917	1.0
179.03571	3.5
179.05557	1.7
181.08749	0.9
181.61601	0.5
195.06686	1.9
196.07028	1.4
223.69173	0.5
260.06464	0.6
275.07767	9.1
286.73865	0.5
293.08792	3.2
293.25681	0.4
298.90625	0.5
311.42612	0.6
314.11792	0.8
316.12036	0.6
325.09375	1.6
329.14124	2.5
330.14334	2.8
331.14474	2.7
343.14108	0.8
377.16074	1.3
378.16345	1.3
379.16571	1.8
437.13135	0.7
439.11026	0.7
464.73285	0.5
553.21240	0.5
601.17651	20.2
602.18500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2082
Annotation	Austrocolorin A1
Peak:m/z	Relative Intensity
61.17746	0.8
61.98823	0.8
70.02097	2.1
83.01392	2.5
93.03444	0.7
97.02953	2.4
109.02968	4.1
119.05024	1.2
119.70765	1.0
121.02941	1.1
122.03749	2.3
123.04525	2.7
125.02452	2.7
137.02443	1.5
139.04045	1.0
149.02501	1.7
151.04053	1.7
161.02542	1.2
161.06151	1.7
162.03226	0.8
165.05548	1.0
174.03436	0.9
175.04007	0.8
175.39397	0.8
187.04031	1.3
189.05571	6.5
199.07793	1.7
201.01962	6.2
203.03502	2.0
203.07195	1.4
204.04279	1.3
205.04991	1.4
211.07553	1.7
213.02016	1.1
213.09343	2.0
223.07533	1.0
225.05473	1.4
226.02835	0.9
227.03383	1.5
228.00583	1.1
228.04196	1.4
229.01427	32.2
229.04985	1.8
230.02077	2.2
237.09283	1.4
239.07111	3.5
241.01472	5.2
241.05029	1.2
241.08603	1.1
243.06604	5.9
245.08217	1.4
247.06195	1.2
255.02919	1.4
255.06670	1.8
255.10324	1.2
256.07477	2.5
257.08173	6.2
258.08847	1.6
263.07104	1.2
267.06601	2.7
269.04529	3.1
271.02518	2.9
281.08243	4.6
283.02744	1.6
283.06265	1.7
284.03714	1.0
284.06873	3.6
289.07019	1.7
295.09799	1.5
299.09262	1.3
313.14456	5.6
323.09207	2.5
325.14468	5.7
326.14880	1.3
337.10739	2.6
342.05267	1.0
351.15918	3.7
353.13974	32.1
353.18320	1.6
354.14267	1.6
367.15552	2.2
369.13376	13.2
369.17249	5.4
370.13760	1.2
395.15048	4.3
405.16830	1.5
407.18604	3.3
409.16342	1.0
411.14401	2.6
449.16071	3.5
485.00104	1.0
515.20789	6.2
533.21924	2.4
539.20490	2.2
557.21765	30.8
558.22247	2.0
583.20056	5.4
584.20337	1.0
601.20819	100.0
602.20990	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	601.2085
Annotation	Austrocolorin A1
Peak:m/z	Relative Intensity
59.55510	3.4
63.30105	3.1
66.94510	2.8
70.12337	3.5
70.12659	5.1
71.12964	3.5
77.66439	2.8
82.92914	3.2
89.03916	2.8
97.02947	3.2
109.02945	5.3
111.06339	2.8
125.02441	5.4
137.02466	6.2
149.02454	3.8
154.95427	2.8
189.05554	8.3
201.01968	6.7
205.05235	3.7
212.11395	3.2
213.09375	3.7
227.03401	3.9
229.01411	36.0
241.01360	6.6
241.05225	3.7
243.06615	12.4
247.06055	5.1
256.07547	4.2
257.08157	8.1
271.02692	3.9
281.08136	6.6
284.07080	5.4
296.10751	3.2
351.15970	7.5
353.14011	44.2
369.17068	7.7
395.14877	8.0
407.18790	3.7
449.16205	16.1
496.03140	4.0
515.20630	6.3
539.20709	6.0
557.21808	38.8
583.19861	8.3
601.20728	100.0
602.21075	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	601.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58219	1.1
59.01377	5.4
61.98834	14.6
66.13887	1.2
71.01391	4.4
71.41677	1.6
82.95426	40.7
84.95084	1.2
87.00906	1.5
89.02439	2.8
93.03473	6.2
96.96037	3.8
98.30234	1.4
101.02435	3.0
108.02191	5.2
109.02961	4.5
113.99605	2.1
121.02978	8.2
122.03755	17.4
123.04546	2.8
124.01624	2.3
128.03484	1.5
133.02957	2.3
134.03726	2.1
135.04543	4.4
136.01678	3.7
137.02516	2.7
139.04036	2.3
141.39719	1.5
143.05051	2.0
145.02910	2.1
146.03740	1.4
149.02458	24.9
149.04413	2.0
150.03242	100.0
151.00345	2.2
151.04042	7.1
160.05313	4.2
161.02486	2.1
161.04617	1.3
161.06114	4.3
164.04820	4.7
165.05582	98.1
166.02695	5.0
166.05919	1.9
171.04500	1.8
172.05318	10.2
173.06122	2.9
175.04005	3.1
177.05617	1.4
179.03418	1.3
179.07208	2.0
180.04311	7.9
181.05081	20.6
187.07526	1.3
188.04881	2.2
189.05609	15.9
190.06389	13.5
191.03503	1.6
191.05615	2.6
193.04996	1.6
195.06639	50.6
205.05040	2.0
205.08719	4.6
206.05890	2.2
221.08221	3.3
228.75691	1.4
239.03477	1.8
251.09331	3.4
265.05029	1.9
266.05884	2.3
269.08069	1.7
281.10373	2.0
282.05356	9.9
296.06882	1.7
297.07724	9.5
309.07706	4.0
311.09329	3.5
312.10052	5.8
324.10126	2.2
326.11710	2.4
327.08823	2.6
327.12253	11.4
329.10364	9.8
341.10098	1.7
342.10959	8.6
356.12555	3.0
357.13455	50.0
359.11218	1.7
365.13913	1.9
375.14481	4.5
387.14526	11.5
429.15320	8.9
469.25345	1.4
477.17575	6.1
505.18582	11.1
517.18408	1.7
535.19818	36.2
536.19971	2.5
553.21216	4.2
565.20935	2.3
565.28784	1.7
583.22070	17.2
601.22974	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	601.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51007	0.6
59.01379	2.6
61.98832	4.7
71.01394	2.2
74.02468	0.7
78.95910	0.9
87.00906	0.8
89.02455	1.3
92.91958	0.7
93.03477	4.0
96.96015	5.2
96.96986	0.7
101.02429	1.7
105.03446	0.8
108.02187	2.3
109.02977	1.7
113.06144	0.7
119.05022	0.8
121.02955	5.4
122.03758	15.5
123.04533	2.7
124.01616	1.5
125.04529	0.7
128.03619	0.6
133.02956	2.3
134.03783	1.5
135.04553	3.5
136.01695	2.5
137.02504	1.4
139.04024	1.1
145.03015	1.2
146.03738	2.8
147.04549	0.9
149.02460	15.5
149.06200	0.9
150.03241	99.9
150.36517	0.7
151.00429	1.9
151.03931	2.3
152.01187	1.0
160.05338	0.9
161.02446	1.9
161.06062	1.8
164.04883	4.3
165.05585	100.0
166.02707	5.0
166.05916	1.2
172.05299	1.9
173.02504	1.3
173.04544	1.3
175.04050	1.6
177.01938	0.9
178.71838	0.6
179.03516	1.4
179.07182	3.9
180.04298	7.7
181.05099	13.6
187.03970	0.9
189.05582	4.0
190.06367	3.0
191.03537	0.9
191.05681	0.7
193.05055	1.1
195.06648	77.4
196.06967	1.6
205.05090	1.0
205.08702	1.0
206.05887	2.0
221.08287	2.9
251.09245	2.9
279.06570	1.0
282.05341	4.3
285.04080	0.9
293.08511	1.0
294.05234	0.9
295.06012	1.0
296.06943	1.4
296.10376	1.2
297.07745	4.8
309.07626	1.8
311.09317	2.0
312.09930	5.6
324.10095	1.1
326.11612	1.5
327.08862	1.2
327.12363	10.4
329.10382	1.0
342.11099	4.9
353.43753	0.7
356.12802	1.0
357.13461	33.7
358.13766	1.1
365.13834	0.7
375.14490	1.6
381.73407	0.7
387.14453	5.6
405.15790	0.7
454.53040	0.7
460.48859	0.8
466.96835	0.7
477.17517	2.1
505.18530	1.2
535.19543	4.0
553.20801	2.2
583.21857	5.6
601.14496	0.9
601.22876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
61.98833	13.6
62.80411	1.3
71.01379	4.2
71.45064	1.7
73.02936	1.7
79.95735	1.7
82.95435	6.7
85.02961	2.3
89.02427	1.9
93.03458	5.4
96.96019	10.0
99.04523	1.5
105.01924	2.0
108.02191	5.9
109.02969	4.1
116.92757	1.7
121.02971	9.5
122.03754	16.5
123.00848	1.9
123.04527	5.0
133.02963	2.5
134.03696	1.8
135.04538	5.7
136.01646	5.0
137.02411	3.5
139.04034	2.2
140.08882	1.4
143.05034	2.3
146.03662	2.6
149.02454	21.1
150.03241	100.0
151.00362	2.2
151.04022	8.2
153.05553	1.9
160.05278	2.7
161.02448	3.3
161.06084	5.5
162.06981	1.7
163.04007	1.9
164.04788	6.6
165.05580	96.6
166.02730	7.5
166.06210	1.7
172.05324	7.3
173.06166	2.0
175.04044	3.0
179.03540	2.4
180.04343	6.9
181.05072	18.1
187.07622	2.2
189.05595	17.0
190.06386	13.0
191.03523	2.1
191.05624	3.5
193.04950	2.5
193.08623	1.6
195.06631	57.4
205.05052	1.6
205.08698	7.6
206.05962	1.7
221.08180	5.6
237.05603	2.0
243.39822	1.4
251.09358	2.2
254.05946	1.5
266.05634	1.9
269.04550	3.5
270.04929	1.8
276.04285	1.7
279.06805	1.5
282.05457	7.1
285.04150	2.4
285.07440	1.7
297.07712	9.4
309.07687	3.4
311.09268	4.9
312.10019	7.4
322.22818	1.6
326.11682	2.6
327.12384	15.8
329.10440	7.9
342.10974	6.2
343.11868	2.4
356.12762	3.6
357.13470	49.9
359.11420	1.6
369.13297	1.6
375.14349	2.3
387.14478	10.3
429.15576	9.2
464.10046	1.5
477.17554	4.7
505.18912	8.0
517.18842	2.1
535.19769	40.3
536.20282	2.8
553.21051	2.9
565.20740	2.7
565.28607	3.0
583.21967	15.8
601.15924	6.3
601.24341	1.8
601.39856	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	601.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
58.00588	1.0
59.01384	70.8
62.94357	0.5
68.77885	0.5
69.03456	0.8
71.01389	52.7
72.63974	0.6
72.99333	1.6
73.02943	5.4
75.00887	0.7
81.03481	0.5
83.01391	7.9
85.02955	9.1
87.00880	19.9
89.02451	54.3
95.01406	3.6
97.02975	0.8
99.00879	1.6
99.04531	0.6
101.02449	25.6
103.21448	0.5
113.02457	27.1
115.04050	1.0
119.03513	18.5
125.02438	1.2
129.01921	1.4
131.03496	3.0
141.01949	1.5
143.03519	8.2
149.04582	2.3
154.14114	0.5
159.02983	0.8
161.04570	10.4
179.05627	18.5
198.27429	0.5
203.70493	0.5
216.16086	0.7
273.22260	1.4
277.21738	100.0
278.22153	3.1
291.23318	9.3
301.21835	0.9
319.22720	3.6
323.06134	0.6
323.09900	12.5
341.10892	41.7
342.11215	1.1
442.62836	0.6
601.32538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83885	0.3
59.01377	1.6
61.98834	3.7
69.07183	2.1
71.01389	0.8
74.02489	0.7
79.56769	0.3
85.02953	0.5
87.00884	0.4
89.02463	0.6
96.96033	0.5
98.22621	0.8
101.02437	0.6
113.02481	0.6
116.92863	0.9
118.03000	0.4
120.99670	100.0
121.99999	0.8
128.03560	0.7
128.05824	0.3
135.04509	1.4
146.02489	1.2
160.04042	3.6
161.02464	0.7
179.03581	0.8
187.03893	0.3
280.06247	0.5
285.04065	0.4
300.47302	0.3
433.77319	0.3
471.26126	1.3
473.10602	0.4
482.70416	0.3
601.33447	0.5
602.15411	1.0
602.32739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42405	0.2
56.90244	0.3
59.01384	1.4
61.98836	3.0
71.01382	1.1
72.93644	0.3
74.02483	1.2
81.51752	0.3
85.02943	0.3
85.06550	0.3
87.00858	0.4
89.02458	0.7
93.03487	0.4
96.95995	0.3
98.21897	1.1
101.02479	0.9
105.01840	0.3
113.02527	0.3
116.92901	0.7
120.99670	100.0
121.99986	0.3
128.03580	0.7
133.03055	0.4
134.03696	0.3
135.04538	0.7
136.04892	0.3
137.02437	0.3
143.86443	0.3
146.02531	1.0
150.03316	0.3
153.00174	0.4
160.04068	2.4
161.02435	0.4
168.72702	0.3
177.01917	0.4
179.03514	0.4
191.05589	0.5
244.67239	0.3
285.04044	0.6
469.46442	0.3
471.26593	1.3
601.33905	0.9
602.15686	0.9
602.32281	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	602.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96337	0.2
58.51987	0.2
58.57048	0.2
59.01373	0.5
61.59103	0.2
61.98835	100.0
69.31024	0.3
69.31333	1.4
93.53349	0.2
96.96024	1.9
103.41837	0.2
206.17299	0.2
272.27762	0.2
401.30746	0.2
459.55493	0.3
491.19949	0.4
602.16150	1.5
634.55579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07645	0.2
55.48018	0.2
61.98836	100.0
69.07696	1.4
89.63109	0.2
96.96028	2.2
103.89894	0.2
110.97601	0.4
125.02527	0.2
135.04550	0.2
136.01686	0.2
138.92708	0.2
151.03987	0.2
152.01221	0.3
156.59518	0.2
161.02483	0.5
165.05678	0.2
170.01720	0.2
228.91510	0.2
287.06058	0.2
397.09979	0.2
411.18976	0.2
441.12689	0.4
603.17340	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	603.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97845	0.3
53.08483	0.3
59.01370	0.7
61.98823	0.6
63.02406	1.3
65.00328	0.6
71.01379	0.4
92.37656	0.3
107.01410	1.3
115.04041	0.7
117.03460	3.0
121.02922	0.3
149.02493	0.5
151.00386	0.9
154.43797	0.3
159.04544	0.9
161.02432	0.7
183.04518	0.4
196.05200	0.4
197.06218	0.4
201.05582	0.6
224.04977	0.3
225.05617	0.9
268.03799	9.9
269.04565	100.0
270.04935	3.6
283.06107	1.2
311.05658	1.6
431.09882	1.0
473.10965	1.0
603.17456	3.6
607.66583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16923	0.6
53.61821	0.7
59.01376	2.5
61.98833	4.7
68.24397	0.6
71.01376	1.6
79.61351	0.6
83.17423	0.6
85.02975	0.9
87.00908	0.8
89.02419	0.9
89.11349	0.6
93.03457	3.3
95.05038	1.0
105.03462	0.7
108.02192	1.1
109.02949	1.7
113.02485	0.8
121.02961	7.3
122.03752	14.4
123.04572	1.0
125.02464	1.1
125.45226	0.6
127.08141	0.6
133.02966	1.9
135.04539	2.1
136.01704	1.8
137.02458	1.9
139.86255	0.6
149.02458	20.9
150.03239	89.6
151.00334	0.6
151.04027	1.5
153.05571	1.5
161.02428	1.8
164.04825	5.0
165.01917	8.0
165.05582	100.0
166.06363	12.1
167.07135	1.4
177.01909	1.2
179.03505	6.6
180.04298	11.4
181.05070	7.3
181.08670	6.1
182.05867	1.4
193.05164	0.9
194.05811	1.6
195.06639	83.4
196.07390	6.3
197.08212	1.9
211.09747	5.9
225.07713	5.3
242.06152	0.8
269.04471	1.2
285.04791	0.7
289.10715	0.7
301.10883	1.0
315.08469	0.8
329.10345	8.7
341.13947	0.9
343.11890	6.9
344.12634	6.6
359.15012	28.5
360.15085	1.4
373.12988	3.0
407.17020	1.2
421.14941	1.2
434.64944	0.8
555.22437	5.5
603.39252	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60858	0.8
59.01381	2.4
61.98834	2.7
69.42236	2.0
69.42642	3.2
76.10936	0.9
88.63662	0.8
93.03479	6.0
95.01440	0.9
96.96054	1.0
98.95625	1.2
101.02464	1.6
109.02993	1.6
115.30129	0.8
119.01391	1.5
121.02152	1.8
121.02972	20.4
122.03764	14.9
123.04543	1.2
132.02257	1.1
133.02963	2.1
134.03745	2.4
135.04547	2.4
136.01660	2.7
137.02455	4.9
149.02464	30.8
149.06108	2.6
150.03244	100.0
151.03830	2.2
164.04820	9.9
165.01955	15.5
165.05586	94.4
166.02672	1.8
166.06372	61.6
167.07094	1.7
177.01970	1.9
177.05640	1.3
179.03522	11.9
179.07062	1.8
180.04294	15.4
181.05110	1.0
181.08737	34.8
194.05856	3.1
195.06647	87.0
196.06960	1.3
205.04974	1.6
207.06584	1.0
210.05316	1.2
218.50055	1.1
225.07666	7.3
234.58841	0.9
299.09314	1.4
301.10730	2.6
313.11148	1.2
329.10294	12.9
343.12000	4.3
344.12701	9.8
358.10541	1.4
359.15030	37.7
360.15646	1.3
373.12961	49.7
374.13345	1.5
407.17145	2.1
421.15225	6.9
542.92334	0.9
555.22455	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	603.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35771	1.0
67.02036	0.8
71.46500	0.9
77.57860	0.8
78.95879	0.9
82.55902	0.9
93.03417	1.0
104.02671	2.0
133.02916	1.8
145.02939	1.9
148.01656	1.1
160.58577	1.0
161.02460	1.6
162.03233	1.8
173.06148	1.1
176.01141	5.8
177.01910	2.8
177.55264	0.9
188.48761	0.9
189.01996	10.3
190.02742	10.3
191.03502	5.6
201.05533	2.0
203.03444	1.2
204.04276	2.3
205.32744	0.9
209.94566	0.9
211.07721	1.9
216.04166	1.2
222.01735	1.3
229.05074	3.4
230.05724	1.8
236.03284	1.2
243.06628	4.6
244.07352	2.7
255.06612	1.5
267.06622	2.9
269.08215	25.4
283.13477	1.4
311.12930	12.5
313.10803	10.7
327.12549	1.7
328.13159	29.7
343.15512	100.0
344.15869	3.2
367.85117	1.2
402.59726	1.0
603.26123	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	603.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84883	0.9
61.98828	1.0
70.89898	1.5
74.75081	0.9
78.95899	1.0
104.02718	1.2
145.02986	2.1
148.01714	2.1
161.02428	1.4
162.03220	1.2
171.08188	1.8
176.01193	4.1
187.07692	2.2
189.01952	3.8
190.02734	5.1
191.03529	6.4
199.07690	4.6
201.01935	4.7
201.05672	1.8
203.03528	3.2
204.04138	1.0
215.07094	0.9
216.04378	1.0
222.01645	1.8
228.72122	0.9
243.06628	48.2
244.07135	2.8
257.08200	5.5
259.06204	2.1
269.08273	1.4
311.13040	6.5
327.92007	1.0
328.13190	32.8
329.13879	1.7
343.15527	100.0
344.15903	3.3
520.26941	1.0
522.57172	1.0
526.41760	1.0
603.26245	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	603.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83556	0.6
55.01868	0.6
57.03445	1.3
59.01388	36.6
61.72564	0.6
61.98849	3.7
69.86378	0.6
70.03036	2.1
71.01024	1.0
71.01392	16.7
72.99305	1.3
73.02941	2.1
74.02486	1.6
75.00880	1.2
78.91883	0.6
83.01407	1.4
85.02960	3.6
87.00896	6.7
89.02451	14.5
95.01416	1.5
96.96000	0.8
98.22021	0.8
99.00896	1.1
101.02464	10.1
105.94952	0.6
106.18128	0.7
109.03000	0.7
112.98826	1.2
113.02460	5.5
119.03529	4.5
120.99672	18.1
121.99995	2.1
122.99233	1.1
130.99889	1.0
131.03505	1.1
133.02969	0.8
133.10245	0.8
149.00958	1.3
149.04567	1.2
157.08730	2.5
160.04071	0.9
161.04622	0.9
175.20763	0.7
179.03528	0.9
179.10847	0.7
183.10272	0.6
191.05620	0.8
219.95758	0.6
229.19621	1.4
247.16994	1.0
266.79712	0.7
268.07520	0.7
273.18637	2.6
291.19757	6.7
309.20511	3.0
399.36200	0.6
453.24875	2.0
471.26068	100.0
472.26199	4.1
603.31445	2.4
607.13110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99298	6.7
69.10292	27.4
73.68752	3.2
77.66611	4.2
78.95895	3.6
88.00414	6.9
88.98806	37.9
89.02453	100.0
96.96033	19.3
145.97760	3.5
148.91020	3.4
189.65303	3.5
243.92096	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.4
60.99312	1.5
69.12489	2.3
69.12896	1.2
71.01376	1.1
87.00880	3.6
88.00407	1.5
88.98811	11.3
89.02451	100.0
95.17069	0.7
98.22690	1.4
164.58585	0.6
192.87460	0.6
251.73949	0.8
277.21622	1.1
324.97849	0.8
401.16113	0.7
470.37589	0.7
603.19879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.339
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	1.2
66.59027	1.0
71.01392	1.3
83.65265	1.0
87.00881	5.2
88.00400	2.8
88.98806	8.5
89.02453	100.0
103.92031	1.6
128.60594	0.9
133.35568	0.9
144.09572	0.9
145.61647	0.9
148.90927	1.1
189.91455	0.8
204.27463	0.9
207.07918	0.9
254.38321	0.9
277.21646	1.2
603.19757	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	603.3902
Annotation	Cauloside A
Peak:m/z	Relative Intensity
51.16731	0.5
55.22247	0.6
59.01385	13.9
60.93540	0.5
71.01393	6.2
82.21384	0.5
85.02946	2.1
85.88994	0.5
89.02457	6.6
101.02451	3.2
114.87922	0.6
118.59314	0.5
131.03537	4.0
149.04558	1.4
151.35118	0.5
154.06433	0.6
273.77463	0.5
423.32639	4.3
439.32352	0.9
471.34866	24.3
472.35037	1.5
603.39075	100.0
604.39532	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	603.3908
Annotation	Lasalocid B
Peak:m/z	Relative Intensity
58.04180	0.6
59.01390	2.9
64.23997	0.6
67.93596	0.6
69.44017	0.8
69.44419	1.5
71.01390	1.4
81.06932	0.5
85.02972	0.6
86.35369	0.6
89.02458	0.9
90.07006	0.6
110.95421	0.6
118.72733	0.6
165.95610	0.7
214.17386	0.6
234.51239	0.7
301.15799	0.7
328.91980	0.6
603.39069	100.0
604.39569	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	604.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57375	3.1
58.00838	3.0
61.75248	3.5
71.01384	6.9
71.41151	3.3
73.97015	3.2
83.75166	4.3
85.02951	60.6
87.04507	5.4
96.04562	100.0
97.02963	7.3
98.02514	3.9
99.00899	4.9
99.04555	3.1
101.34806	3.4
106.10697	3.0
115.03989	3.2
128.03546	5.8
129.01949	13.3
140.03542	7.4
141.01974	5.6
158.03601	3.5
158.04610	36.8
163.83134	4.0
172.62212	3.6
179.05663	3.6
200.05630	8.9
202.03601	4.5
219.05125	6.7
262.05688	85.8
267.17368	3.2
355.56427	3.4
416.40298	3.5
502.86407	3.2
520.36566	4.1
584.49298	4.5
605.60046	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	605.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46422	1.6
52.25401	1.4
57.03460	1.9
59.01387	44.3
62.44901	1.5
69.03465	3.9
69.33396	1.6
69.36283	7.6
71.01389	31.9
73.02962	3.4
73.54491	1.3
77.23171	1.6
83.05032	10.4
85.02949	5.6
87.00872	3.1
89.02453	46.4
93.03465	2.7
95.01402	2.8
101.02454	21.5
111.04519	10.9
113.02466	24.9
119.03513	19.4
123.04526	2.1
131.03522	6.7
137.02457	4.2
140.08130	1.8
143.03510	5.5
149.04651	1.8
155.03497	3.2
161.04597	8.3
179.05627	52.3
237.64294	1.7
275.07776	23.3
293.08823	100.0
294.09616	1.7
295.91013	1.8
317.08771	34.0
335.09900	3.6
347.09821	17.0
355.82104	1.7
365.10837	3.0
377.10782	11.3
388.88028	1.6
395.11890	12.2
398.02704	1.8
455.14191	2.5
605.14764	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	34.0
65.75317	1.9
69.03468	7.3
69.68042	6.6
71.01384	31.2
73.02953	5.2
83.01408	2.3
83.05034	22.4
85.02964	8.8
87.00892	5.8
89.01934	3.1
89.02454	27.0
95.01405	2.3
101.02446	27.4
105.01960	2.0
105.09216	1.9
111.00867	4.3
111.04540	26.9
113.02467	31.5
119.03511	12.2
123.04555	3.3
131.03542	15.4
133.05058	2.4
137.02470	7.3
155.03563	12.8
161.04646	3.6
167.03548	3.6
173.04564	2.0
179.05568	9.9
195.36891	2.3
230.78740	2.0
259.61374	2.0
269.42532	2.3
275.07745	30.0
293.08841	100.0
294.09158	3.6
317.05066	4.0
317.08801	72.7
318.09198	3.4
335.10022	3.6
347.09842	22.9
377.11002	16.1
389.10852	4.1
395.11911	8.3
407.11972	27.9
431.11829	16.3
491.13974	3.1
500.61487	2.0
522.72522	2.0
605.14435	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	605.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	15.7
59.01389	10.1
61.98830	2.3
64.55933	0.9
70.79534	0.9
71.01385	6.6
73.02966	1.4
74.02483	3.4
78.97855	0.8
83.01404	1.3
84.27711	0.7
85.02963	2.6
87.00879	2.4
89.02462	3.1
89.70000	0.7
89.90430	0.7
92.00718	0.8
99.04533	6.8
101.02469	5.4
104.03556	1.4
107.01373	1.3
113.02482	2.4
116.92886	0.9
119.03565	1.1
120.99701	1.6
121.02974	0.9
122.99252	2.5
125.02444	10.8
133.02966	1.2
134.03760	0.9
135.04541	1.8
136.01747	0.7
137.02435	0.8
140.43372	0.7
145.55511	0.8
149.00999	1.2
151.00409	1.5
154.84242	0.8
160.04082	1.8
161.02428	1.6
161.04575	1.5
164.53909	0.8
175.02481	0.7
179.03528	1.2
191.05685	0.8
211.04034	0.8
227.03596	1.6
255.03008	34.2
256.03754	3.9
269.04547	1.6
283.02533	26.0
283.05707	1.6
284.03290	79.7
285.03943	10.9
293.08829	1.8
297.03995	4.0
298.04898	6.9
299.05624	100.0
300.05954	4.1
305.08701	1.3
313.03546	2.3
341.06610	2.0
355.71848	1.0
382.64777	0.8
446.08566	6.4
461.10938	51.1
462.11118	2.2
472.26141	3.4
473.10849	1.4
473.26913	5.9
488.09592	5.7
489.10849	1.6
503.12018	42.2
504.12326	2.7
543.15088	5.9
604.33307	3.2
605.15015	1.9
605.33093	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55419	0.4
57.03461	0.6
59.01384	10.2
61.98828	1.9
65.00338	0.5
69.54472	0.8
69.54889	1.3
71.01385	3.2
73.02939	0.8
74.02489	2.7
75.00877	0.7
82.95419	1.7
83.01390	0.6
85.02969	1.1
87.00887	1.3
89.02438	2.2
93.03469	0.8
95.01409	0.7
96.96037	1.9
99.00896	0.7
101.02470	1.8
104.03564	1.8
107.01406	0.8
109.02950	0.7
113.02461	1.7
115.65752	0.5
116.92902	0.4
117.03461	1.0
125.02482	0.6
131.03456	0.5
133.02989	0.9
134.03746	0.5
135.04526	4.5
137.02437	0.5
139.78238	0.4
149.04529	0.5
151.00363	1.4
155.05048	1.0
158.67969	0.5
159.04517	1.2
161.02432	1.2
161.04588	0.5
165.03992	1.0
165.05537	0.5
169.06619	0.7
173.06200	0.5
177.01949	1.5
179.03534	3.4
181.12289	0.5
183.04524	3.7
185.02451	0.8
185.05998	0.7
187.04021	1.0
191.05736	0.8
195.13841	0.5
197.02759	0.4
211.04085	2.7
213.05559	0.6
227.03539	3.8
239.03262	0.6
255.03009	46.1
256.03387	1.7
257.04343	0.5
283.02496	100.0
284.03107	10.2
285.04065	31.8
286.04523	0.9
290.31320	0.5
295.93646	0.4
329.13870	0.8
365.68948	0.4
413.08847	4.0
415.06995	0.6
416.07520	40.2
417.07925	2.7
457.11340	0.5
457.20767	1.2
473.10938	19.8
473.25571	0.7
474.11139	1.5
501.20154	0.5
518.27576	0.4
576.34509	0.5
604.32635	0.6
605.15137	31.5
605.31891	1.6
606.15363	1.9
606.34918	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	605.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55613	0.3
62.03315	0.3
63.02411	0.6
65.00343	0.4
66.81073	0.3
69.13632	0.9
69.14055	0.8
71.69378	0.3
74.36942	0.2
75.01899	0.2
80.55733	0.3
83.01395	0.5
93.03477	0.8
107.01413	0.7
107.75282	0.3
117.03452	0.7
129.34457	0.2
135.04559	1.5
143.05031	0.4
151.00381	1.0
154.04225	0.6
155.05067	0.7
159.04553	0.7
163.00305	0.3
165.02008	0.4
167.05046	0.5
169.06618	1.5
171.04546	0.7
173.02469	0.4
179.03539	1.0
183.04562	2.1
185.06032	1.3
187.04004	1.0
189.05536	0.8
197.02422	0.3
201.05609	0.3
211.03990	2.1
213.05576	1.5
214.02719	0.8
215.03568	0.4
227.03491	2.5
229.05092	0.8
239.03534	0.9
241.04871	0.3
243.02977	0.6
255.02992	25.7
256.03461	1.3
257.04633	1.0
283.02499	50.0
284.03210	7.0
285.04059	100.0
286.04407	4.1
416.07507	11.3
417.08197	2.8
473.10910	25.0
474.11276	1.0
575.54498	0.3
605.15173	19.5
606.16144	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23297	0.6
54.05597	0.6
59.01387	12.5
61.98837	1.2
70.82616	0.6
71.01401	3.4
73.02943	1.7
78.95919	1.4
79.95743	1.0
81.19884	0.7
83.01414	0.6
83.53873	0.5
85.02959	1.2
87.00874	2.4
89.02474	1.1
90.73270	0.6
93.03481	1.5
96.96021	15.7
96.96976	2.9
98.21925	1.8
99.00918	1.0
101.02432	1.6
103.00375	1.0
103.01496	1.9
105.01952	1.2
107.05016	0.8
108.02180	1.2
109.02963	4.1
112.98807	0.9
113.02462	2.0
120.02158	3.3
123.04539	2.0
133.02963	2.3
134.03709	1.3
135.04567	5.1
135.11824	1.9
136.01659	1.2
137.02475	1.5
138.03249	0.7
139.03929	1.1
143.05028	1.0
148.01675	25.7
149.00932	0.7
149.02245	0.8
150.03244	0.9
151.00349	1.7
151.04045	0.6
153.05594	30.3
155.10786	1.3
159.04530	0.9
161.02432	3.1
161.07167	1.1
163.04027	34.0
164.04352	1.4
165.04016	1.7
165.05409	1.2
166.02696	2.6
171.04591	0.8
173.06076	0.6
174.95695	0.6
177.01988	0.6
179.03540	4.6
179.10771	3.9
181.05084	44.1
182.05325	0.8
189.06810	1.0
191.03601	1.2
191.05696	1.8
193.05086	2.2
196.03760	3.5
199.03990	1.3
199.09842	1.0
211.06137	100.0
212.06403	1.7
223.06107	1.0
225.11285	0.8
227.03540	2.0
243.02934	1.9
255.03027	2.8
266.94540	0.6
267.10971	0.8
270.01694	0.7
271.02417	3.4
283.02426	0.9
284.03558	0.9
285.04092	7.7
299.01996	25.4
300.02362	2.2
301.12775	0.6
429.08511	1.3
457.11374	1.1
467.16614	1.1
473.20258	3.1
605.24817	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2411
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
57.94887	0.9
68.80355	1.0
69.32603	3.1
69.32998	1.8
93.72784	1.2
102.16158	1.0
415.15665	1.2
430.18076	1.8
457.20761	2.4
459.18396	3.2
471.18784	1.8
473.19629	3.6
485.19431	3.3
486.20779	4.7
496.18738	1.2
499.17563	3.1
501.22733	4.4
503.20987	1.3
511.21609	3.3
513.19507	4.6
514.19971	9.9
518.19525	1.1
528.21381	1.6
529.22510	100.0
530.22809	7.5
561.24884	1.8
601.97162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	44.6
60.13261	5.5
61.98818	9.7
69.16532	15.2
69.16948	21.4
71.01380	25.0
73.02941	7.8
78.95887	7.2
89.02455	45.9
94.77316	5.3
96.96011	14.7
99.00895	12.5
101.02457	29.7
107.60370	5.4
110.64175	5.4
113.02420	9.9
119.03545	6.3
131.03593	6.4
149.04588	41.4
191.05545	8.2
239.02525	6.4
336.89728	5.6
437.25656	8.3
462.93582	6.5
477.27347	7.7
484.89587	8.4
569.29675	100.0
605.27148	86.9
606.27429	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	606.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31623	0.9
57.03459	1.1
59.01387	52.0
61.98833	27.9
69.36945	4.2
71.01389	27.0
72.99317	1.6
74.02477	1.9
75.00892	1.3
83.01394	1.5
85.02953	5.3
87.00884	1.3
87.78970	1.0
89.02454	25.1
95.01398	2.5
101.02454	11.4
104.03565	1.1
113.02471	8.6
118.02995	17.0
119.03491	11.4
123.74809	1.0
124.45863	0.9
129.52931	1.1
131.03508	1.4
133.02968	6.5
135.04517	1.2
143.03490	3.0
148.01675	23.3
152.03569	2.8
161.04610	1.6
163.04024	18.2
164.04802	2.4
168.04587	2.0
179.05620	7.5
180.99829	1.0
195.47346	1.0
196.04094	1.1
212.03571	6.8
213.04358	1.2
240.03049	31.3
241.03807	11.5
255.05379	19.8
256.06174	16.0
268.02466	3.5
269.03311	2.9
270.07779	9.8
271.08582	5.6
272.05710	2.3
282.04095	2.3
283.04846	13.4
284.05701	17.5
297.03922	1.2
298.04630	1.2
298.07233	31.5
299.07816	3.7
302.10397	3.7
315.07449	3.2
330.09839	100.0
331.10260	3.6
470.98135	1.1
591.49683	1.4
605.39600	3.4
606.34796	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	606.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.29843	0.5
61.98838	100.0
71.01382	0.9
71.41939	0.6
72.92843	0.5
74.02491	0.8
82.95425	0.7
89.02444	0.9
99.91016	0.5
101.02493	0.7
116.92925	0.6
119.03529	0.6
131.13309	0.5
135.04607	1.1
160.06367	0.6
173.12979	0.5
175.44426	0.5
179.03535	0.6
179.05753	0.7
207.16182	0.5
209.08400	0.6
219.35313	0.6
252.04713	0.6
284.03397	1.6
297.04169	1.9
298.04587	2.1
299.05518	3.1
493.46600	0.5
606.35107	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	606.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79884	0.5
61.98835	100.0
70.41334	1.3
94.07806	0.5
108.82069	0.5
116.67876	0.4
160.27260	0.4
216.71429	0.4
239.13979	0.5
255.06198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25399	0.3
52.40014	0.3
55.01881	1.1
56.14388	0.3
57.03450	1.7
58.85281	0.3
58.90133	0.3
59.01382	8.8
61.98836	10.0
65.13911	0.3
70.88539	0.3
70.88907	0.4
71.01389	8.0
72.00915	3.2
72.99303	0.7
73.02947	3.5
74.02479	36.2
83.01396	2.7
85.02961	5.0
86.00086	0.7
86.02483	0.6
87.00896	0.8
89.02454	0.6
95.01398	0.5
97.02930	0.4
99.00890	0.8
101.02455	7.0
104.03547	23.3
111.00896	1.0
112.04038	1.1
113.02460	2.2
124.05325	0.5
125.02463	0.4
126.05621	0.9
143.10777	1.2
184.53693	0.3
209.52274	0.3
211.17099	0.4
299.05807	0.4
321.24158	0.4
339.25406	6.9
357.26517	1.0
370.29669	0.6
382.29684	0.5
396.85269	0.3
400.30685	1.1
471.94168	0.4
474.27744	0.5
483.29752	1.2
501.30759	20.8
502.30829	0.8
519.32190	0.5
558.32648	0.6
576.33997	7.8
577.34094	0.8
588.33868	2.2
606.35004	100.0
607.35345	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	606.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.2
59.01385	17.4
60.01717	1.0
61.98829	8.3
70.27107	2.0
71.01383	10.6
72.00907	4.2
72.99314	1.2
73.02945	2.9
74.02477	62.6
82.95422	1.5
83.01381	1.8
85.02958	5.6
86.02464	1.6
87.00879	3.2
89.02447	4.4
90.23273	1.0
93.03462	2.3
96.96024	2.1
99.00880	1.2
99.70027	1.0
101.02448	6.8
104.03551	29.7
113.02455	4.0
116.92906	1.0
119.03473	1.2
121.02962	1.4
131.03609	1.2
133.02986	1.9
135.04526	4.7
137.02473	1.9
138.09265	3.0
161.02467	2.5
165.04051	1.2
177.01898	2.3
179.03592	3.1
209.11873	2.4
213.90918	1.2
227.03476	1.3
228.03748	1.9
255.02980	14.2
256.03333	14.7
275.00345	1.2
283.02484	29.1
284.02869	34.3
285.04007	13.0
286.04428	11.5
393.24075	1.1
414.08908	1.7
416.07312	7.5
417.07883	17.1
474.11215	10.6
474.27014	1.4
576.34113	6.5
588.34399	1.9
606.15375	20.1
606.35016	100.0
607.15961	1.6
607.35608	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	607.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88755	0.5
51.09311	0.6
57.03438	1.7
59.01367	1.8
63.02384	0.7
65.00331	1.6
71.01385	0.9
76.77566	0.4
83.01372	1.0
87.00880	1.0
98.22598	1.3
101.02445	1.2
107.01403	3.4
108.02222	0.9
109.02975	1.4
119.95267	0.4
121.02976	2.4
125.02404	0.7
133.02940	1.3
135.00862	0.8
135.04564	2.5
148.01706	1.4
149.00887	1.5
149.02391	0.4
151.00391	11.6
161.02423	3.1
163.00365	2.1
164.01173	1.0
178.99875	6.7
179.03499	1.5
181.12384	2.7
183.04543	0.6
190.99826	0.8
198.03154	0.6
199.03983	0.5
201.05673	0.6
209.11880	1.1
211.04039	1.2
215.03500	0.8
225.11421	1.3
226.02786	1.7
227.03552	2.8
229.05089	0.9
239.03830	0.6
243.02956	9.5
245.04584	1.1
254.02205	2.1
255.03015	25.1
256.03488	1.1
257.04819	0.7
271.02505	54.3
272.02945	3.3
273.04169	0.8
283.02536	1.6
285.03979	0.8
299.02039	2.0
300.02774	100.0
301.03525	44.6
301.07211	0.8
302.03793	1.4
391.22208	0.5
445.07925	0.8
463.08878	46.3
464.09213	2.4
475.21942	8.3
477.70334	0.5
505.09940	41.4
506.10144	3.0
545.13055	10.5
546.13446	0.8
607.12878	11.5
608.13727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37369	0.5
57.03447	1.6
59.01385	8.6
65.00330	0.5
67.01903	0.5
68.99824	0.9
71.01388	10.1
72.99305	1.2
73.02942	1.0
75.00878	2.3
78.93960	0.4
82.95423	1.2
83.01395	1.3
85.02464	0.8
85.02957	12.8
87.00871	2.7
89.02448	1.3
93.03464	1.3
95.01389	4.3
98.21893	1.1
99.00880	5.1
101.02459	0.4
103.00390	3.0
107.01405	1.2
109.02944	0.6
113.02460	20.7
115.00391	0.8
117.01939	1.3
119.05109	0.5
124.40643	0.5
129.01974	1.1
135.04518	0.7
137.02443	0.7
143.05037	0.7
145.02942	0.7
145.06587	0.8
150.03244	1.3
151.00375	3.6
154.04230	1.4
155.05003	0.6
159.04527	0.9
163.00349	0.7
165.01973	0.8
165.05591	3.1
167.05003	0.6
169.06596	3.5
171.04588	0.9
173.02452	0.9
174.03127	0.5
175.02502	6.8
182.18224	0.4
185.06082	3.4
187.04013	2.0
189.05608	2.7
191.00172	0.4
195.04567	0.7
197.06114	0.5
197.23286	0.4
199.03969	0.8
211.04054	0.9
213.05588	4.1
213.07622	0.9
214.02696	1.5
215.03587	1.1
227.03534	5.1
229.05005	2.4
239.03600	1.1
241.05154	1.3
243.02921	2.3
255.03004	6.5
256.03741	1.0
257.04657	3.4
271.02548	1.8
284.03317	4.6
285.04068	100.0
286.04541	3.7
299.02042	3.9
327.05200	1.0
431.09854	44.6
432.10242	2.3
461.07318	1.6
607.13153	2.6
608.13733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
63.66719	3.6
85.18776	3.5
87.00886	42.5
87.01396	5.4
96.96040	5.8
103.00381	57.5
119.95817	4.2
121.02969	71.1
121.03772	6.4
130.99884	43.7
134.79257	3.5
135.04572	4.7
145.36201	4.3
191.05675	5.4
239.09222	6.0
253.03560	71.2
258.94916	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	607.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
59.01384	18.1
59.05381	0.6
62.71140	0.6
69.03454	1.7
70.32401	0.6
71.01389	12.0
72.65005	0.7
72.99308	2.0
73.02952	2.5
75.00875	0.7
82.95399	1.8
83.01406	2.4
85.02959	21.2
87.00881	7.2
87.04560	1.0
89.02452	1.9
95.01400	4.7
96.95989	0.8
98.21886	1.7
99.00879	0.9
101.02448	2.7
103.00385	2.7
105.01974	0.7
107.01418	0.8
109.02965	2.0
111.04540	0.9
113.02460	26.8
123.04552	0.8
129.01930	1.1
131.03539	1.3
133.02994	1.2
135.04552	10.2
137.02460	3.2
137.09750	1.6
147.04469	0.9
149.00832	0.8
151.00389	2.9
154.04269	1.9
155.10806	9.2
157.06662	0.9
159.04514	1.5
161.02489	1.0
163.00432	1.0
165.01921	1.8
169.05287	0.8
169.06613	3.5
169.07846	0.6
170.07056	1.0
173.02383	1.1
175.02505	17.2
179.03596	0.7
185.06059	2.7
187.04042	2.3
189.05539	1.4
199.09680	4.1
213.05530	3.3
214.02815	1.5
227.03494	4.6
229.05038	2.9
229.41425	0.7
239.03561	1.7
241.04938	0.9
241.10661	0.9
243.02997	2.3
255.03027	6.7
256.03754	1.2
257.04535	3.6
269.08218	0.9
271.02359	1.1
275.07764	2.5
284.03262	4.6
285.04068	100.0
286.04376	3.4
293.08795	1.2
299.01895	2.2
313.07135	0.9
327.05405	1.0
339.04883	1.5
431.09854	50.7
432.10291	3.2
445.07990	1.9
461.07330	1.8
467.09976	0.7
475.12759	1.2
475.18243	28.3
557.17609	1.0
607.13232	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	607.131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37127	2.6
59.01177	2.2
59.01390	28.6
60.50995	2.5
63.82676	3.0
71.01377	8.9
72.99300	3.0
85.02988	3.1
87.00879	10.3
89.02429	7.6
101.02466	9.3
103.00388	11.2
112.42766	3.0
113.02456	6.5
121.02959	11.9
130.99883	10.9
133.02962	18.0
134.03802	3.9
135.04543	82.8
137.02475	11.3
161.02448	52.3
179.03487	43.4
191.05589	4.9
191.94080	3.1
253.03615	13.5
262.77576	3.3
316.79279	3.0
445.13553	100.0
475.18176	5.6
523.99347	3.1
578.75922	3.1
607.18628	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	607.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33915	0.4
58.38852	0.5
59.01398	0.6
61.98824	1.4
70.14945	0.5
76.96032	0.5
117.03485	7.9
119.05037	2.2
134.03766	0.7
145.02971	17.0
151.00406	1.6
199.82724	0.6
200.04732	0.6
208.07478	0.8
227.03609	0.9
255.02995	3.9
256.03781	4.2
279.20514	0.6
283.02530	1.2
284.03293	68.5
285.03836	4.3
297.04214	0.8
299.05637	100.0
300.06042	3.0
307.05182	0.7
307.08356	3.7
313.03384	0.6
389.88531	0.6
404.72754	0.6
607.04767	1.0
607.14594	21.0
608.14685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1465
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
57.03474	0.3
59.01381	1.8
61.98831	2.8
63.02406	0.4
65.00358	0.4
68.28513	0.3
69.03488	0.3
75.87771	0.3
83.01422	0.3
85.02965	0.4
87.00829	0.5
88.98789	0.5
89.02440	0.6
97.09711	0.3
101.02422	0.6
104.18487	0.3
105.11356	0.3
107.01376	0.8
109.62669	0.3
116.92849	0.4
117.03486	8.4
118.47893	0.3
119.05016	2.5
125.02498	0.4
125.28442	0.3
128.03557	0.5
133.02994	0.5
134.03778	0.5
135.04518	0.5
145.02965	17.1
146.04636	0.3
151.00383	1.4
163.03995	1.0
177.01927	0.3
183.04492	0.4
211.04128	0.4
227.03519	1.1
255.02994	4.2
256.03766	3.0
282.34711	0.3
283.02536	1.9
284.03287	68.4
285.03885	5.2
297.04126	0.8
298.04938	0.4
299.05618	100.0
300.06018	4.1
307.08234	3.5
362.58444	0.3
411.23004	0.3
461.10706	0.4
475.27991	0.5
607.14655	24.6
607.29791	0.7
608.14758	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	607.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84148	1.1
57.03461	11.7
59.01381	2.5
61.60525	1.1
61.98818	1.3
67.36269	1.1
71.01389	1.8
80.83929	1.0
83.01392	3.9
92.31909	1.2
95.05025	1.3
95.43187	1.1
96.95992	1.5
97.02968	1.3
101.02493	1.2
102.82484	1.3
104.66459	1.2
105.03467	2.3
108.02209	1.3
109.02943	2.8
121.02950	3.4
123.04533	3.3
125.02458	100.0
133.02979	13.8
135.04500	1.6
137.02472	6.4
138.29021	1.1
147.04533	1.6
149.02444	2.8
150.03220	1.8
150.33334	1.2
151.03995	6.2
161.02469	31.5
162.03149	1.8
163.00388	4.2
164.01176	6.7
165.01942	7.3
165.05557	2.7
167.03519	2.1
175.04030	13.0
176.01176	1.4
177.01895	10.1
179.03380	1.1
191.03587	1.9
197.04552	1.3
199.04004	3.1
201.01701	1.2
201.05626	1.3
211.03915	1.5
215.03481	2.2
217.05136	7.0
227.03531	1.6
229.05148	1.8
231.03046	1.4
241.05141	2.0
243.02983	16.7
243.06735	1.5
245.04541	3.2
255.03038	1.9
257.04391	1.5
261.04053	4.8
269.04639	2.1
282.01804	2.2
283.02499	3.9
285.04324	2.2
287.05652	31.5
289.06976	1.3
303.04816	1.9
319.08139	1.6
405.06052	7.9
413.08948	2.0
423.07159	4.3
437.08994	2.7
449.08698	4.6
449.33340	1.3
452.07101	1.5
455.09680	2.7
485.88535	1.2
575.11713	2.7
607.14020	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	607.168
Annotation	Diosmin 
Peak:m/z	Relative Intensity
59.01388	1.5
61.98843	0.2
63.02409	0.2
65.00327	0.2
71.41914	0.1
72.71688	0.1
73.02934	0.2
76.89299	0.1
83.01402	0.2
84.95123	0.3
87.00401	0.1
87.00877	0.7
89.02447	0.8
93.03450	0.2
94.87888	0.1
101.02438	0.5
103.01495	0.4
107.01391	0.4
113.02444	0.3
119.03512	0.1
121.02920	0.1
121.32995	0.1
131.03522	0.2
132.02165	0.2
133.02988	0.3
134.03746	0.2
135.04538	0.1
148.01634	0.1
149.04550	0.6
149.99632	0.2
151.00385	0.7
174.03200	0.1
175.03926	0.1
179.03517	0.2
181.91196	0.1
183.04533	0.1
184.05400	0.1
187.03969	0.2
191.05716	0.2
199.04085	0.1
200.04884	0.2
211.04019	0.4
212.04803	0.2
214.37405	0.1
227.03429	0.6
228.04207	0.1
239.03561	0.1
241.01373	0.1
255.03024	7.8
256.03787	2.2
269.04565	0.4
271.02411	0.2
276.25183	0.1
283.02524	2.5
284.03293	49.5
285.03824	2.4
297.04086	1.5
298.04831	0.5
299.05634	100.0
300.05969	3.5
313.03610	0.2
315.43503	0.1
327.05432	0.1
341.06683	0.3
446.78604	0.1
447.09665	0.2
463.08932	0.1
540.26917	0.1
547.27783	0.4
562.88916	0.1
607.16675	2.0
608.17633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01171	0.5
59.01396	6.0
69.03460	3.2
71.01395	4.5
73.02940	2.7
81.03444	0.6
85.02973	3.4
86.58791	0.6
87.00888	7.2
87.04530	4.4
89.02475	1.8
96.96023	5.0
97.02955	0.7
98.21783	1.1
101.02448	3.2
103.00290	0.6
107.05035	0.8
109.02950	0.7
112.16576	0.6
112.98830	1.7
113.02470	6.7
114.74683	0.5
115.03996	0.5
125.02414	0.5
130.02698	0.7
130.99884	0.9
131.03519	3.1
133.02924	1.1
133.05098	0.6
134.03757	0.9
135.04546	27.2
135.08131	0.7
137.02458	3.7
137.09735	9.7
139.11328	0.6
141.01967	0.8
147.04527	1.0
147.55870	0.7
149.00897	1.7
149.36630	0.5
150.05394	0.7
155.10794	47.6
156.11073	0.8
159.04495	0.6
161.02553	1.2
165.05568	0.7
169.12337	2.7
177.01813	0.5
179.03546	1.9
181.08723	2.5
199.07932	1.1
199.09782	21.1
201.05612	0.6
213.11377	2.0
241.10851	8.3
246.10982	0.5
257.04623	0.8
275.07693	1.5
285.04095	3.2
293.08829	1.5
301.12943	1.2
361.14658	0.7
411.98871	0.6
431.09830	0.8
475.13373	3.9
475.18256	100.0
476.18594	4.5
603.53046	0.7
607.18860	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	607.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80957	0.6
59.01390	6.6
69.23351	1.6
69.23760	3.0
71.01381	4.4
73.02953	1.1
85.02956	1.3
89.02454	2.6
93.03460	1.6
101.02441	3.5
107.05051	0.8
113.02465	3.1
119.03484	0.7
121.05093	1.4
133.02969	12.5
134.03748	4.0
135.04541	67.7
136.04839	1.9
137.02455	4.4
161.02461	54.7
162.02803	1.3
163.04042	0.7
179.03510	41.7
202.08792	0.8
281.06570	1.4
360.45850	0.8
445.13538	100.0
446.13885	3.4
607.18896	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	607.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29621	0.4
58.59130	0.4
59.01384	15.2
69.35983	0.9
69.36369	1.2
71.01386	1.5
73.02951	0.6
78.75146	0.4
78.88225	0.4
85.02950	0.7
87.00882	1.0
88.26140	0.4
89.02479	0.5
92.01273	0.4
93.03461	1.5
97.44164	0.4
98.22602	1.0
101.02480	0.7
106.29971	0.4
108.02205	0.4
113.02469	1.7
115.04089	0.7
121.02991	1.2
122.03753	5.0
133.03021	0.9
135.04527	1.8
137.02463	0.4
137.09677	0.7
139.04036	2.4
149.02538	0.5
150.03238	42.8
151.03644	0.5
151.18320	0.4
155.10783	6.9
165.05582	100.0
166.05925	1.9
199.09799	3.3
213.07700	12.8
241.10866	0.8
285.04123	3.5
431.09991	2.1
475.18188	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	607.2402
Annotation	Papyriferoside A
Peak:m/z	Relative Intensity
61.98828	0.5
67.94189	0.3
70.78316	0.6
74.02485	0.3
77.64339	0.3
78.76423	0.3
105.43145	0.3
108.64670	0.4
118.04253	0.5
161.02386	0.4
162.03206	0.5
185.06117	1.1
189.01903	2.3
190.02699	2.3
196.65576	0.4
198.06918	1.1
199.07660	17.9
200.08397	0.7
203.03505	1.5
211.74069	0.3
222.01723	0.3
225.05499	1.9
226.06285	0.9
227.07129	3.8
229.05092	5.3
230.05753	0.7
243.06635	27.3
244.07384	8.9
245.07898	0.4
312.13681	1.5
313.14474	100.0
314.14832	3.6
607.24017	38.9
608.24414	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	607.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01484	5.1
55.38865	5.0
70.71552	11.3
71.38309	5.9
73.13110	5.0
99.84114	5.6
103.82989	5.5
156.13701	5.6
403.55029	6.1
431.22525	24.2
445.23941	9.5
459.25830	7.6
460.22702	33.5
471.21542	13.5
472.22702	42.7
474.20816	17.5
475.24835	29.5
487.25101	100.0
488.25159	9.2
502.20212	23.8
519.27966	7.7
531.24109	98.2
545.25214	7.1
548.24585	6.9
563.26660	23.5
607.25677	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	607.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52650	9.7
71.42424	13.9
115.96278	9.3
121.53296	9.3
297.81622	9.7
303.23785	10.1
324.14780	10.9
359.35324	10.0
429.21103	10.0
431.22348	13.0
436.88565	10.5
445.23999	14.2
447.26144	11.1
460.22946	22.6
472.22800	30.3
475.20444	15.0
475.25668	15.9
487.25177	88.5
502.19812	29.1
504.25217	14.5
513.23535	13.2
519.27423	30.5
531.23877	100.0
532.24695	11.6
534.22253	24.3
563.26343	26.6
607.25775	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.8
59.01384	100.0
70.50194	4.6
71.01386	61.9
73.02949	16.2
82.86083	3.0
83.01414	4.7
85.02959	21.3
87.00883	15.8
87.04516	4.2
89.02460	44.2
95.01414	3.5
97.02981	3.6
101.02447	45.1
106.33351	3.3
113.02467	26.3
119.03465	19.0
121.03007	4.0
125.02544	3.6
131.03528	8.3
133.02971	4.7
135.04558	17.7
137.02399	4.3
137.09744	3.6
143.03526	6.3
149.04593	5.4
152.08427	6.3
153.09216	12.4
155.10780	23.2
159.03021	3.5
161.02496	4.2
161.04610	14.2
165.09244	14.4
174.62306	3.2
179.05611	23.3
185.59244	3.2
191.05606	5.3
199.09778	8.5
205.12357	24.9
209.04541	4.5
221.06772	10.2
223.13339	3.6
228.84572	3.6
241.10675	4.3
253.47781	3.5
275.07932	5.4
318.22366	3.4
319.44437	3.4
323.09848	6.8
326.97562	3.7
385.18811	25.9
401.97064	3.2
443.16818	3.8
475.12225	4.6
475.18185	42.1
476.18289	3.9
547.24023	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42211	2.0
83.83734	2.4
89.38924	1.8
92.97501	100.0
117.48598	1.9
171.98184	1.7
183.06227	2.4
250.90324	2.0
433.14981	2.3
449.90195	2.0
461.98538	2.0
618.91949	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	608.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48765	1.0
51.05789	1.0
54.39440	0.9
59.01384	3.7
67.12137	1.0
68.51007	0.9
71.01388	8.9
71.04646	1.6
71.05021	12.2
82.58210	1.0
88.04048	78.0
99.04532	4.0
99.21212	0.9
116.07191	1.9
118.61977	1.0
119.03533	1.1
146.08246	34.1
147.98181	1.2
165.95726	1.0
218.10342	100.0
219.10661	1.9
243.79070	1.0
331.03482	1.4
442.45602	1.1
476.15417	1.6
494.49118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73221	0.8
58.32343	0.7
59.65483	0.7
61.98836	100.0
63.38912	0.8
68.21513	0.8
69.17316	4.9
148.25307	0.7
172.19370	0.8
194.86145	0.7
199.06847	0.8
249.64978	0.9
294.70209	0.8
309.75299	0.9
338.96497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.0
68.99828	6.1
69.62459	14.2
69.62850	12.2
79.04487	6.0
81.90433	5.4
83.01402	11.5
97.80412	7.4
103.82315	6.6
106.23650	5.4
109.02982	7.7
125.02446	80.2
135.78409	6.6
137.02431	15.1
139.11353	5.9
149.02441	19.0
151.00366	14.9
153.01953	100.0
165.01956	9.2
175.03960	9.2
177.01898	13.5
181.36192	6.4
188.73965	7.1
194.16753	6.9
199.04155	7.0
229.57339	6.8
275.05591	6.9
281.38336	6.7
285.04114	33.8
303.05115	24.9
305.07098	6.0
391.05411	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	609.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.2
61.98840	4.4
63.02398	1.7
65.00325	1.8
71.01386	2.5
73.02963	1.3
73.96626	0.5
74.02473	1.9
77.45767	0.5
83.01396	2.3
85.02981	0.6
87.00898	0.7
89.02435	2.2
91.01888	0.5
93.03465	2.1
96.96016	0.5
101.02471	2.0
104.03573	1.2
106.99718	0.5
107.01397	4.5
108.02176	0.9
109.02937	2.5
113.02457	1.0
117.03455	0.6
119.01370	0.5
119.04974	0.5
121.02982	2.8
123.00880	0.5
125.02477	0.5
133.02960	1.2
135.00908	1.0
135.04549	1.2
137.02473	0.9
143.05072	1.3
145.02963	1.2
151.00391	13.6
152.01161	1.2
153.33861	0.4
155.05035	0.6
157.06587	0.9
159.04510	1.8
161.02470	4.8
163.00401	2.9
163.04013	0.7
164.01083	0.5
165.01924	0.6
167.05164	0.6
169.01436	1.8
169.06540	0.9
171.04590	1.1
172.16573	0.5
174.03384	0.5
177.01953	0.5
178.99855	3.6
179.03551	0.9
179.05574	0.5
183.04494	0.9
185.06087	2.3
187.03999	2.9
189.05556	0.9
191.05643	0.7
195.04449	0.5
197.06081	1.1
199.03970	0.6
201.05611	1.2
211.03995	1.3
211.13417	2.6
213.05554	1.9
227.03546	3.9
229.05077	11.8
231.06709	0.6
239.03470	1.4
240.04121	1.1
241.05098	1.8
243.03008	1.4
255.03021	4.0
256.04028	0.7
257.04596	7.6
271.02518	4.5
273.04111	0.5
275.05811	0.5
284.03302	0.9
285.04071	100.0
286.04413	3.3
299.02026	1.2
300.02774	7.6
300.05939	1.0
301.03552	25.2
302.03726	0.5
323.07681	4.3
357.12079	0.6
447.09427	1.8
463.09058	1.9
503.31195	0.7
521.16681	0.5
578.34869	0.9
608.35706	5.2
609.12292	5.0
609.36151	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	609.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14471	0.3
58.83475	0.3
59.01381	1.2
61.98837	0.6
63.02420	0.9
65.00358	1.3
71.44674	0.3
83.01389	0.9
88.98821	0.4
89.02465	0.4
90.71740	0.3
98.22599	0.9
101.02428	0.5
105.03481	0.3
107.01379	2.3
109.02935	0.8
113.02476	0.3
121.02974	0.8
125.02463	0.8
133.02960	4.9
134.03728	0.9
135.04526	0.4
141.58588	0.3
149.02412	1.6
151.00389	3.9
153.02068	0.4
175.04015	2.5
177.01921	0.5
183.04747	0.3
185.05968	0.4
189.05659	0.3
197.06114	0.4
198.03191	0.6
199.03970	2.2
200.04752	0.4
201.01982	0.8
211.03856	0.4
212.04807	0.4
213.05550	0.5
215.03676	0.4
217.05064	1.4
227.03513	1.2
239.03391	0.5
241.05156	0.5
243.03026	0.7
245.09396	0.4
255.03081	1.9
256.03793	2.0
257.04709	0.4
271.02444	0.8
279.89761	0.3
283.02484	0.9
284.03290	41.4
285.04059	100.0
286.04376	3.7
299.02045	1.5
309.03970	1.0
327.05133	1.2
429.08331	0.6
447.09351	20.1
448.09720	0.8
609.14630	65.0
610.15021	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	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.6
62.54305	0.5
65.00347	1.1
69.21027	3.3
71.01411	1.3
81.67570	0.6
83.01380	0.7
85.02960	0.8
89.02477	0.9
92.30864	0.5
101.02481	0.6
107.01403	1.4
109.02992	0.9
113.02453	0.7
121.02868	0.7
124.07523	0.6
133.02892	0.7
135.04579	1.1
147.00885	0.6
151.00414	7.4
163.00389	1.9
163.03992	0.9
164.07195	0.6
165.01941	0.9
171.04520	0.6
175.04005	1.1
178.99905	1.7
185.06041	0.6
187.04022	1.1
191.05692	1.5
199.04048	4.2
201.05576	1.0
203.03564	0.9
211.04054	1.5
214.02815	0.6
215.03535	1.9
226.02650	0.8
227.03584	4.3
229.05150	1.6
243.02917	4.2
255.02956	4.8
271.02515	58.3
272.02960	1.5
273.03903	0.7
283.02368	0.8
285.04095	1.1
299.02005	100.0
300.02740	10.5
301.03564	53.2
301.07141	1.0
302.04031	1.9
433.07889	1.8
446.08569	30.1
447.09335	28.3
447.15726	0.6
448.09705	1.1
463.08862	12.8
549.25653	0.9
609.14648	83.1
610.14874	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	609.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76029	0.4
59.01380	1.0
63.02412	0.9
65.00339	1.3
67.39398	0.4
71.01399	0.8
72.99372	0.4
80.70374	0.4
80.74772	0.4
83.01398	0.9
85.06599	0.4
88.98833	1.6
89.02395	0.4
93.03492	0.6
94.92838	0.4
96.96033	1.8
98.21843	1.2
101.02429	0.6
107.01389	3.1
108.02212	1.6
109.02974	1.6
121.02968	2.5
124.07626	0.4
135.00868	1.0
146.73451	0.4
148.01733	1.2
151.00386	13.9
159.04550	0.5
163.00429	2.8
164.01143	1.0
178.99879	7.4
183.04660	0.5
190.99821	0.5
192.00652	0.6
199.03934	0.8
211.04024	1.8
215.03511	1.0
216.04184	0.5
226.02724	1.9
227.03493	3.5
229.05168	0.8
231.22710	0.4
242.59061	0.4
243.02992	11.4
244.03526	0.4
245.04559	1.2
254.02231	1.9
255.03021	28.4
256.03391	1.4
257.04684	0.5
271.02518	61.4
272.02963	3.8
273.04034	1.2
283.02435	0.9
285.04068	0.8
299.01892	1.5
300.02786	100.0
301.03546	37.3
301.07138	0.9
302.03992	1.6
343.04211	0.9
609.14642	80.0
610.15015	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	609.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17498	1.3
52.19554	1.7
57.03456	13.7
59.01362	2.1
64.59314	1.3
69.62302	1.4
76.04967	1.4
81.03468	1.9
83.01390	4.2
95.05068	2.4
97.02966	2.7
109.02956	11.6
121.02977	3.2
123.04524	8.7
125.02460	100.0
133.02963	2.7
135.36815	1.4
137.02509	9.7
139.04016	3.0
149.02437	3.4
151.04033	5.8
159.04608	2.2
161.02472	25.4
161.06158	3.3
162.03282	2.0
164.01181	11.3
165.01945	13.5
166.74615	1.6
179.03557	3.4
188.04785	1.7
197.04533	7.6
203.07153	4.5
205.05096	3.2
212.88484	1.4
213.26869	1.5
221.08220	1.8
245.08153	6.2
269.04617	1.5
277.95013	1.6
287.05600	9.9
289.07224	28.5
319.08112	5.0
601.89948	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	609.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11047	0.4
59.01383	100.0
61.98824	1.3
64.68275	0.5
69.87106	1.2
71.01374	0.7
73.13285	0.4
97.38697	0.4
105.01957	0.8
116.19991	0.4
133.03070	0.6
134.03796	1.0
134.62289	0.5
135.04608	0.5
143.75327	0.5
150.03255	0.6
151.00449	0.9
161.04652	0.6
179.03488	0.7
240.08066	0.6
255.02989	1.3
268.07529	1.0
271.02567	2.5
283.09818	0.7
285.04047	3.8
300.02832	4.8
301.03647	2.0
308.06992	0.9
309.07739	0.7
312.06662	0.7
323.09314	1.4
324.10211	1.1
327.08765	2.9
338.11594	0.7
339.08768	5.1
339.12411	0.8
342.11084	4.0
354.11227	1.5
357.13440	13.8
357.17709	0.8
369.13461	13.2
370.13901	0.8
413.14743	1.1
597.08972	0.6
609.14740	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	609.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08593	3.6
53.82938	3.8
58.29122	3.3
59.01386	99.0
61.98807	3.8
66.32342	3.3
70.71715	7.5
71.01387	41.7
82.08389	3.4
85.02949	16.0
87.00863	4.0
87.07053	4.5
89.02444	43.3
101.02459	30.3
113.02468	17.5
119.03519	14.6
134.06131	8.1
161.04585	7.5
172.21555	3.5
176.27609	3.7
179.05634	15.8
183.70477	3.8
186.33478	3.6
192.06677	17.1
193.69322	3.7
226.59183	4.2
262.00311	3.5
292.29767	3.9
305.22632	4.0
387.20279	5.3
388.67969	4.2
519.19965	30.2
549.25641	100.0
549.34253	6.1
550.25409	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	609.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03456	1.9
59.01382	43.8
62.54310	1.2
69.12803	9.1
71.01386	36.3
73.02958	9.6
81.94437	1.2
82.64024	1.3
83.01392	3.7
85.02964	15.1
87.00871	2.4
88.98801	4.3
89.01938	2.4
89.02451	25.5
95.01418	3.2
96.96007	1.2
97.02959	2.1
99.00881	2.7
101.01802	2.0
101.02451	32.8
105.04531	1.2
109.42684	1.3
113.02459	15.5
119.03497	12.2
125.02438	5.8
131.03474	2.6
138.06877	5.7
143.03529	3.0
149.57301	1.2
153.09227	21.3
159.02982	2.3
161.04581	15.9
179.05560	9.6
207.13799	2.0
221.06662	3.7
225.15004	26.0
263.07712	2.1
295.86023	1.4
301.03253	2.2
323.09836	5.9
325.27286	1.4
387.20206	14.9
510.68634	1.2
520.39496	1.4
549.25574	100.0
550.25916	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	609.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.87687	1.5
71.01389	32.0
73.02954	3.0
85.02968	5.5
87.00902	2.9
89.02456	37.8
95.01415	2.9
101.02451	21.0
113.02460	13.7
119.03520	18.6
131.03551	2.0
133.02921	1.6
143.03526	4.6
149.04576	1.9
155.68706	1.4
161.04585	8.6
166.14815	1.5
179.03444	1.4
179.04189	1.7
179.05611	13.6
387.20145	3.2
451.27167	1.5
549.25580	46.9
550.25830	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	609.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	3.8
61.98817	3.0
69.08526	23.6
76.33818	3.8
85.02169	3.1
87.20518	3.1
88.36037	2.9
95.05064	6.5
98.22614	6.3
115.50226	3.0
121.10246	25.0
127.11256	3.5
171.10281	77.2
178.16951	3.6
195.53879	3.4
231.21088	5.4
275.20175	94.1
278.11432	10.8
282.04123	3.0
293.21252	100.0
297.18414	4.2
315.19424	57.3
359.18390	4.1
415.84601	3.3
471.58524	3.5
523.32343	3.7
609.25104	3.5
609.41296	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.56222	0.4
71.01399	0.7
75.21832	0.4
93.03470	3.4
122.66379	0.4
137.02457	8.9
139.44568	0.5
146.10100	0.6
153.87703	0.4
161.04720	0.4
179.03540	0.5
184.23486	0.4
271.08435	0.7
275.07928	0.6
299.07794	1.3
425.77689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
61.98834	100.0
66.51395	0.3
69.10696	1.2
69.11119	0.5
70.33010	0.2
70.86412	0.2
71.01392	0.7
73.02953	0.4
89.02456	0.7
101.02498	0.7
114.15788	0.3
119.03465	0.3
131.03535	0.3
138.55090	0.3
138.74495	0.3
179.03659	0.3
191.05728	0.4
216.80893	0.2
248.77428	0.3
259.18591	0.2
468.20465	0.3
611.32965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48451	20.4
59.01374	39.9
61.98834	31.5
66.71599	17.5
69.10757	54.2
69.11162	100.0
78.95923	38.2
96.96006	40.1
103.01525	45.7
116.92859	46.6
128.94460	26.7
130.05116	20.6
176.06314	19.2
236.16704	22.8
469.33203	91.5
529.28906	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1622
Annotation	Eriodictyol 5,3'-di-O-glucoside
Peak:m/z	Relative Intensity
59.01398	2.9
61.98832	0.8
67.15062	0.5
71.01392	5.4
71.28612	0.6
72.64414	0.5
73.02940	2.1
83.01385	1.4
85.02957	1.6
87.00867	1.1
88.98824	0.7
89.02473	0.9
92.02666	0.8
93.03470	22.7
95.01442	0.9
96.96034	0.7
101.02463	3.9
108.02186	20.9
109.02950	2.0
113.02412	3.1
121.02989	1.0
122.03757	0.7
123.00879	0.7
123.04549	13.2
124.01801	0.7
125.02438	0.8
131.04903	0.7
135.04518	1.1
136.01662	1.7
137.02458	44.9
143.45123	0.6
147.04518	0.9
149.02463	0.8
150.03252	0.9
151.00403	1.5
151.03995	1.3
152.01167	42.5
153.01883	2.8
161.02371	1.0
166.02715	1.0
167.03513	60.4
168.03876	1.6
171.11525	0.7
179.03520	1.0
191.03500	1.3
191.05652	0.7
194.02312	1.1
205.08273	0.7
209.04591	3.8
221.04552	1.0
281.06702	28.9
282.07034	0.8
449.10910	100.0
450.11234	5.0
491.12006	4.2
611.16156	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	611.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.1
61.98829	6.5
69.67992	5.7
93.03423	2.3
98.21963	2.2
105.03516	1.9
107.01377	3.6
109.02978	1.5
111.64445	1.5
121.02982	3.7
122.03761	7.9
133.02985	2.2
135.00894	9.7
136.01724	2.2
146.13956	1.5
149.02452	10.2
150.03247	55.8
151.03871	1.8
161.02475	4.0
163.00386	21.4
165.01958	6.2
165.05580	51.1
175.04126	1.7
177.01930	3.4
179.03535	4.7
180.04295	4.4
190.99875	66.2
192.00621	10.5
195.06631	28.7
206.02219	100.0
207.02908	12.7
209.08228	7.3
225.07707	2.7
231.60565	1.7
243.06505	2.8
269.04517	4.2
320.87866	1.7
457.52209	1.8
529.46234	1.7
563.17725	2.3
611.16980	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	611.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	35.7
59.46101	22.8
69.80835	75.0
71.01389	34.5
71.58311	26.8
76.74736	21.3
83.05034	41.9
89.02467	53.1
91.54826	19.5
92.74685	21.0
98.22601	37.5
101.02498	34.5
103.54017	23.0
104.50922	21.6
111.04507	27.1
121.90636	21.4
128.91618	19.8
156.12794	22.7
293.08786	100.0
317.08670	74.3
331.37518	29.2
347.09894	39.0
354.41635	23.7
580.76538	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60804	8.4
59.01382	100.0
69.42930	46.1
70.49938	7.9
71.01389	48.5
72.99306	8.5
89.02458	62.6
92.36082	9.1
93.59244	10.1
98.22631	19.0
101.02447	23.2
113.02473	34.1
119.03520	27.7
119.05054	23.8
134.04723	45.8
141.00476	10.4
147.04500	21.4
147.96196	9.3
161.04506	14.7
173.04543	13.8
179.05606	41.4
191.03502	98.8
197.03137	15.6
213.00793	17.4
228.73383	10.0
279.02078	32.3
315.05734	12.4
317.05621	12.9
328.04437	11.3
335.04758	37.5
371.09784	14.6
395.06750	30.2
477.10892	22.1
493.08917	21.1
551.16431	15.2
611.13324	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	611.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	13.6
60.99314	15.8
61.98548	2.5
61.98835	20.5
63.30365	1.5
69.06560	3.5
69.06963	7.6
71.01393	9.8
71.50533	1.4
73.02953	1.7
85.02960	2.8
87.00896	3.8
88.98813	100.0
89.02454	13.8
89.86156	1.3
93.03456	1.9
101.02450	7.0
105.01911	3.1
108.02190	1.5
109.02942	3.8
109.57912	1.5
113.02444	2.8
119.05095	1.5
121.02940	2.4
123.04502	2.0
125.02408	1.8
135.04541	3.9
137.02475	2.5
137.06023	1.5
149.02385	1.7
150.03209	3.1
152.01157	3.4
154.83026	1.6
160.01715	1.7
161.02437	3.5
161.04510	1.7
164.04797	1.7
165.05579	3.1
167.03510	4.3
179.03549	1.7
187.72226	1.6
189.01862	2.4
195.06592	2.5
255.02963	1.7
343.11386	2.2
343.61353	2.1
373.23068	1.6
389.15869	2.4
399.14511	5.5
449.08734	3.0
449.27512	2.9
611.15082	3.4
611.24969	1.9
611.33240	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	611.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19775	5.1
59.01385	100.0
60.04593	4.4
61.98842	59.5
71.01385	66.9
71.43115	5.9
73.02963	13.0
83.01382	9.9
85.02966	19.9
87.00885	22.9
88.98821	8.1
89.02452	60.7
93.03460	52.7
96.96021	8.0
97.02966	6.3
101.02446	42.6
107.05033	6.4
113.02469	23.7
119.03524	38.2
121.02957	36.4
125.02451	24.1
131.03564	5.8
135.04541	16.5
137.02452	56.1
143.03549	7.0
161.02455	14.7
161.04610	10.8
179.03578	7.6
179.05603	17.1
190.00900	6.3
191.05663	15.3
202.36893	5.0
205.03329	7.9
221.06671	16.6
227.07152	32.5
264.17697	5.9
268.16821	6.0
269.47333	5.4
285.04044	6.6
300.02667	5.3
301.03348	8.9
304.95416	5.7
323.09769	24.7
413.21783	12.7
443.12112	14.8
479.31796	6.4
525.28619	9.6
611.22302	6.9
611.31903	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02405	1.4
55.38305	1.6
59.01382	24.5
59.21284	1.4
61.98835	10.9
64.15581	1.6
68.99821	13.0
69.81686	5.3
71.01381	13.2
73.02969	13.3
76.02086	1.4
83.01395	5.0
85.02974	6.2
87.00855	2.3
87.04533	1.9
89.02463	7.6
95.01401	2.9
97.02943	3.4
101.02450	27.2
102.02769	3.9
103.02900	1.7
104.65723	1.6
109.02979	2.0
113.02466	5.0
118.75961	1.7
123.00916	10.3
125.02476	14.9
131.03511	3.6
133.03012	2.5
137.02473	4.3
138.03247	26.2
139.04074	2.2
143.03517	3.7
144.38615	1.7
149.02501	3.9
153.01973	7.8
153.05603	32.5
161.04561	7.0
162.03294	2.3
163.00436	2.6
163.06178	4.9
165.01915	8.4
168.04280	21.4
175.00354	9.7
176.01167	16.9
177.01971	14.1
177.05571	5.6
178.02725	7.9
179.03543	1.9
180.04204	1.9
190.06442	2.3
191.03531	15.3
192.04324	24.1
193.01456	25.7
193.05051	10.9
197.04585	1.7
205.07199	2.2
207.06679	30.7
208.03796	40.8
209.04488	4.7
221.06689	1.8
223.06133	100.0
224.06873	19.1
238.04935	2.7
247.08307	2.0
268.07367	2.2
280.07599	1.9
283.09763	3.2
285.04007	2.5
296.06976	2.8
299.09305	1.9
308.06915	2.6
309.07846	2.3
312.06406	3.2
322.08582	2.7
323.09433	7.3
324.06442	2.8
324.09985	2.9
327.08707	10.5
339.08804	15.2
339.12500	2.6
342.11084	10.4
354.11163	6.4
357.13486	21.2
367.12344	2.9
369.13449	19.4
469.15829	1.9
471.16013	2.5
471.34576	2.6
472.35110	4.6
473.35413	3.0
604.39154	2.6
611.21362	34.4
611.30823	2.3
612.21875	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01709	0.8
60.66217	0.6
61.98833	8.5
65.82903	0.6
71.01400	2.6
73.02969	1.5
75.00906	1.4
78.04973	0.6
85.02977	0.6
87.00898	0.9
88.98821	1.7
89.02467	1.5
101.02456	1.8
105.01955	9.1
113.02459	1.5
133.02991	1.1
134.03746	1.4
135.04565	1.4
137.02618	0.6
149.01173	0.7
155.10831	1.4
160.01707	2.2
161.02539	2.1
161.04611	0.7
175.04063	2.4
176.04718	0.7
179.03589	1.0
191.05708	0.8
260.27679	0.7
270.08875	0.9
276.34656	0.7
285.04047	9.5
286.04529	0.8
314.07922	1.6
317.19269	0.8
329.10413	2.3
341.10382	3.1
344.12622	4.2
356.12762	1.8
359.15002	16.4
360.15494	1.0
371.14966	9.6
384.09473	5.7
384.59885	1.1
412.00781	0.7
449.20938	1.1
479.28815	1.2
483.14905	0.9
551.27240	0.8
602.63086	0.7
612.16766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	39.0
85.28694	4.0
96.96024	100.0
96.96967	52.7
98.90260	5.3
108.85857	5.1
118.05610	4.9
189.00876	6.6
202.95642	4.1
277.21811	19.6
351.06155	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	611.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08019	24.1
78.95917	36.6
79.23201	4.0
86.65184	3.7
94.97218	4.1
96.00922	3.8
96.96025	100.0
96.96972	67.4
110.56895	4.2
118.96637	8.5
124.10103	4.5
189.00883	13.3
196.25261	4.8
256.96124	4.3
277.21713	28.1
291.04019	13.7
322.09152	4.3
333.04971	7.6
351.06003	32.5
407.17526	7.7
635.57013	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	611.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.5
57.03457	3.1
59.01385	100.0
61.98841	11.0
69.27032	7.4
71.01392	35.0
72.99348	1.5
73.02965	8.5
78.95918	9.2
79.95763	2.3
83.01404	4.4
85.02961	15.2
87.00878	2.3
89.02444	20.1
89.02954	2.0
93.03538	1.3
95.01402	2.1
96.96024	76.4
96.96935	12.0
99.00872	3.6
101.02453	26.7
113.02466	19.4
119.03532	7.5
121.02957	10.1
124.01656	1.4
125.02468	6.1
131.03545	1.5
133.29297	1.4
143.03487	3.1
143.25725	1.5
146.04599	2.1
151.00385	4.0
152.01155	1.3
159.03018	3.9
161.04567	21.1
178.99919	3.8
179.05618	6.7
209.04527	8.7
211.23708	1.4
215.07140	2.9
227.16528	3.3
259.06174	10.9
269.04422	4.1
383.01056	1.3
389.21826	17.6
403.29538	1.3
442.36813	1.5
551.18640	2.7
551.27148	56.1
552.27362	3.4
583.16736	6.0
597.15686	1.6
611.15613	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	611.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70670	1.7
55.01886	2.7
57.03455	3.6
57.59496	1.7
59.01384	98.2
61.98838	16.3
69.03464	2.4
69.35235	4.9
69.35628	2.8
71.01394	34.3
71.34485	1.8
72.99328	4.1
73.02957	29.9
81.03452	2.8
83.01401	4.8
84.97521	2.2
85.02964	27.1
87.00893	4.0
89.02459	17.1
94.06643	5.3
95.01394	4.4
96.96053	3.3
98.22765	2.2
99.00877	2.6
101.02451	34.1
101.84920	1.8
107.03809	3.6
108.04564	7.6
109.02936	2.9
113.02460	20.9
119.03529	10.7
120.04568	4.7
121.02906	2.2
122.02547	2.1
125.02551	2.0
127.04014	5.8
136.89873	1.8
139.00366	2.7
145.05103	2.5
148.04018	2.5
152.01146	2.0
155.03513	13.4
155.10791	3.1
161.04591	33.9
162.37883	2.7
166.05112	33.5
179.05682	2.2
199.02492	5.5
210.04082	44.8
227.16505	3.2
273.37512	1.7
374.86987	2.0
387.09100	2.5
389.21872	20.7
390.22165	2.9
405.10391	3.6
509.15518	2.6
551.16644	7.0
551.27130	100.0
552.27374	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	611.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70670	1.7
55.01886	2.7
57.03455	3.6
57.59496	1.7
59.01384	98.2
61.98838	16.3
69.03464	2.4
69.35235	4.9
69.35628	2.8
71.01394	34.3
71.34485	1.8
72.99328	4.1
73.02957	29.9
81.03452	2.8
83.01401	4.8
84.97521	2.2
85.02964	27.1
87.00893	4.0
89.02459	17.1
94.06643	5.3
95.01394	4.4
96.96053	3.3
98.22765	2.2
99.00877	2.6
101.02451	34.1
101.84920	1.8
107.03809	3.6
108.04564	7.6
109.02936	2.9
113.02460	20.9
119.03529	10.7
120.04568	4.7
121.02906	2.2
122.02547	2.1
125.02551	2.0
127.04014	5.8
136.89873	1.8
139.00366	2.7
145.05103	2.5
148.04018	2.5
152.01146	2.0
155.03513	13.4
155.10791	3.1
161.04591	33.9
162.37883	2.7
166.05112	33.5
179.05682	2.2
199.02492	5.5
210.04082	44.8
227.16505	3.2
273.37512	1.7
374.86987	2.0
387.09100	2.5
389.21872	20.7
390.22165	2.9
405.10391	3.6
509.15518	2.6
551.16644	7.0
551.27130	100.0
552.27374	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	612.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51380	0.2
59.01377	0.2
61.98837	100.0
71.01380	0.4
76.20784	0.2
89.02517	0.2
98.22631	0.4
101.02530	0.2
117.82486	0.2
119.88947	0.2
133.02998	0.2
135.04619	0.3
139.66342	0.2
179.03566	0.2
191.05650	0.5
192.04413	0.2
223.06213	0.2
268.80832	0.2
269.04572	0.5
299.05624	0.2
422.13293	0.2
462.19824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21744	2.0
54.02271	1.7
56.60596	2.0
59.01390	9.6
60.15118	1.9
61.98851	2.7
71.01373	5.3
71.45049	2.4
80.57663	1.7
84.73893	1.8
89.02464	3.5
93.03479	2.6
95.89072	2.0
113.02527	2.5
116.92891	2.2
117.36941	1.7
123.04562	2.6
133.02959	4.5
135.04507	2.5
149.45306	1.9
158.93884	3.6
161.02405	5.9
161.08163	3.6
179.03455	4.0
191.05614	4.8
211.03960	2.6
213.05521	2.5
227.03470	5.8
255.03027	29.3
269.04526	5.8
283.02502	68.6
284.03165	6.4
285.04077	100.0
286.04346	3.8
379.74210	2.1
430.09042	14.4
431.09885	30.9
480.58060	2.5
577.15649	70.3
578.15674	3.7
628.45447	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	613.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27361	0.8
59.01363	1.7
59.51859	0.8
61.98832	8.6
69.96397	1.5
71.01382	1.6
82.95416	1.3
95.05021	1.3
108.02151	1.8
109.02965	28.8
116.92825	1.4
123.04516	12.8
133.02930	1.6
134.03680	0.9
135.04500	3.6
137.02473	1.0
145.02940	1.4
147.04568	1.2
149.02347	1.1
150.03233	1.7
151.04044	10.4
160.01678	0.9
160.63678	0.9
161.02449	4.3
163.04053	1.3
174.03433	0.9
177.01929	8.4
189.01961	14.2
190.02670	2.9
191.03502	2.8
197.02438	1.2
202.02721	2.8
203.03435	3.7
208.44914	0.9
214.02676	2.9
215.03522	12.5
216.00589	1.5
217.01416	13.5
217.04953	1.4
218.02135	1.6
219.02960	3.1
229.01343	3.8
229.04968	1.6
231.02998	3.4
234.01668	1.8
239.03596	1.1
241.05043	1.0
242.02271	12.2
243.02972	7.0
245.04425	1.1
257.04471	1.1
265.05014	1.2
269.00864	7.3
269.04019	1.4
274.01141	4.0
284.03314	4.8
285.03952	1.2
297.04141	1.2
307.06100	1.7
309.04062	6.6
310.80478	0.9
323.05560	5.2
324.06055	1.2
337.03452	2.2
339.04816	1.3
341.06668	35.0
342.07059	1.7
349.07080	1.6
351.05063	3.4
352.05655	1.4
367.08011	2.6
379.04660	5.6
393.06146	33.1
394.06461	2.5
442.57840	0.9
451.10223	2.4
461.08997	7.7
503.09900	100.0
504.10101	6.2
612.33429	1.8
613.13495	36.9
613.33453	1.3
614.13739	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	613.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.0
61.98833	32.5
69.67625	2.8
73.02951	0.7
74.16907	0.6
82.95411	2.4
88.98796	1.0
93.03445	0.9
93.92259	0.8
95.05033	1.4
96.96017	1.2
108.02151	1.4
109.02962	27.1
116.92856	3.3
121.02980	1.2
122.03782	0.8
123.04535	12.0
133.02963	1.7
135.04503	2.2
137.02484	1.4
145.02934	1.2
150.03185	1.4
151.04008	8.2
153.05644	0.7
161.02467	4.8
162.03116	0.8
163.04015	1.3
165.05560	1.3
167.03513	0.8
177.01973	5.8
178.31140	0.7
187.03955	0.9
189.01942	12.4
190.02670	2.6
191.03528	3.2
192.02089	0.8
192.04070	1.0
193.04991	1.3
195.25377	0.7
197.02446	1.0
198.03244	1.2
201.01950	1.1
202.02779	1.6
203.03444	3.0
207.06531	0.7
214.02765	2.0
215.03502	10.3
216.00636	1.4
217.01433	10.9
217.04993	0.8
218.02101	0.6
219.02922	3.2
223.06102	2.1
229.01422	2.4
229.04947	0.9
231.02957	3.3
234.01617	0.9
239.03468	1.4
240.04385	0.8
242.02214	10.9
243.02988	5.3
244.07007	0.7
255.03003	1.7
257.04538	1.7
265.05243	1.0
268.04102	0.7
269.00906	6.3
269.04132	1.3
274.01154	2.6
281.04584	1.3
284.03372	3.5
285.04202	0.8
285.07620	1.4
297.04178	0.8
299.05750	1.6
307.05917	1.0
309.04083	5.0
323.05704	3.6
324.06247	1.3
331.11932	1.1
334.04703	0.8
337.03494	1.0
339.05054	1.4
341.06668	31.5
342.07028	1.5
349.07074	1.2
351.05051	2.6
352.05997	1.1
367.08292	1.7
379.04666	4.3
391.10870	0.8
393.06152	27.9
393.59494	0.9
394.06458	1.4
451.10248	9.7
461.08752	1.9
503.09891	100.0
504.10098	4.7
577.28534	1.2
613.13586	25.0
613.22662	1.9
614.14526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65392	0.8
59.01387	1.7
61.98829	1.1
67.24988	0.9
69.82624	0.8
71.01392	1.3
74.30376	0.9
78.82544	1.0
89.02433	1.2
91.87187	0.9
108.02199	1.0
109.02967	19.4
110.83260	0.9
112.98780	1.0
121.03017	1.0
123.04552	9.2
125.02454	2.6
133.02931	4.0
134.03752	2.2
135.04514	3.2
137.02458	6.3
145.02945	1.4
147.04544	1.6
149.02446	2.5
150.03229	1.3
151.04036	7.9
152.01189	0.9
159.04489	0.9
160.04103	1.3
161.02472	12.8
162.03181	3.0
163.04074	6.8
165.01988	1.1
175.03938	1.2
176.01173	1.5
177.01938	29.3
179.03542	1.9
187.03963	4.5
188.04768	2.5
189.01959	36.0
189.05527	1.7
190.02725	12.2
191.03522	6.3
203.03500	2.5
203.07098	1.4
216.00621	6.9
217.01431	26.2
218.02092	1.8
219.02995	9.9
223.72713	1.0
227.07156	2.9
229.08696	3.2
231.02975	7.0
245.08090	1.4
253.04784	1.1
253.08740	0.9
255.02972	2.1
257.04611	1.3
269.04825	1.2
269.08179	1.1
271.06131	2.0
281.04532	11.6
282.05084	1.5
283.02411	4.3
285.04028	5.5
287.05759	1.3
289.07181	3.9
297.07727	8.0
298.04932	0.9
299.05621	8.8
323.05579	2.6
341.06671	100.0
342.06900	4.3
430.08963	1.1
431.09644	2.7
449.11029	1.8
451.10367	69.2
452.10507	3.3
461.10941	10.8
503.11987	6.1
577.15869	5.0
613.15613	36.1
614.16107	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	613.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83759	11.4
59.01379	47.8
59.40026	12.8
69.26995	75.4
71.01397	24.7
77.27447	12.5
89.02469	25.9
101.02460	25.5
109.02965	13.8
113.02454	16.3
119.03457	16.5
119.05032	15.5
122.86024	12.5
123.04539	17.1
125.02477	28.2
161.02466	16.6
163.04123	13.6
171.91106	12.1
177.43359	12.0
203.07199	13.3
225.04498	14.9
264.13156	14.5
289.07248	74.5
323.13379	100.0
451.12070	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	613.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98837	22.4
69.38914	4.1
80.91678	2.0
81.03468	0.8
85.04230	0.7
93.03462	4.1
96.02533	0.8
109.02945	3.5
121.02978	7.8
122.03759	16.1
123.04552	1.3
124.01647	1.0
132.02170	1.0
133.02977	2.4
135.04514	2.4
136.01662	3.0
137.02475	14.6
138.03271	0.9
139.04047	1.2
147.04498	1.2
149.02455	26.6
149.06017	1.2
150.03239	94.2
151.00383	6.1
151.04045	4.7
152.01187	1.1
152.04810	4.2
158.03770	0.8
159.04512	1.8
161.02448	1.1
164.04803	4.8
165.01949	11.1
165.05586	100.0
166.02731	18.5
166.05920	2.3
167.03517	2.6
175.03943	2.2
177.01849	1.7
177.05522	1.3
179.03528	2.6
179.07147	1.1
180.04291	10.2
181.05087	21.0
184.03745	1.3
187.04047	2.9
190.02679	0.9
190.06259	1.3
191.03610	1.3
193.05058	1.9
195.06644	51.8
196.06969	1.4
205.05042	6.7
206.05730	0.9
207.06821	0.8
219.06638	1.3
220.07358	2.9
221.08147	1.6
225.07738	3.7
235.09758	1.6
269.04562	3.6
311.55917	0.9
312.41534	0.9
315.08896	1.2
329.10425	1.9
359.11316	1.0
387.10574	2.5
387.14859	11.6
403.13873	2.7
416.14990	1.1
417.15588	25.6
418.15555	1.3
535.19153	4.7
547.19775	1.3
550.18665	2.2
565.20795	49.3
566.21851	3.9
613.23566	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	613.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	7.0
69.22015	5.9
77.85285	0.8
81.52823	0.8
82.66390	0.8
89.02468	0.9
91.35373	1.0
93.03470	4.2
108.02138	1.1
121.02969	4.7
122.03754	16.1
123.00925	1.1
133.02911	1.1
136.01622	1.7
137.02475	3.6
138.03235	1.2
149.02455	16.1
150.03244	92.9
151.00365	4.5
151.03720	1.9
157.16914	0.8
161.02463	1.6
162.03221	1.2
164.04828	4.0
165.01955	9.1
165.05585	100.0
166.02728	12.0
166.05859	1.8
177.01892	1.3
177.05580	1.3
179.03519	2.4
180.04297	10.2
181.05092	13.0
193.05119	1.7
194.05936	1.5
195.06642	67.1
196.06961	1.4
205.05006	1.3
207.06561	1.4
221.08092	1.4
225.07716	5.1
251.92609	0.9
269.04587	3.6
372.12357	1.7
387.14780	10.4
402.13141	1.2
403.13971	2.2
417.15656	15.5
449.62378	1.2
565.20453	2.8
613.22131	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	613.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24588	1.3
59.01387	3.0
61.05039	1.3
61.95536	1.1
61.98832	13.8
101.02429	1.8
133.02983	1.9
135.04527	2.5
136.01660	2.9
137.02444	17.8
149.02434	1.5
156.09778	1.4
162.03230	2.3
164.01161	4.4
165.01939	100.0
169.87140	1.2
177.05553	2.7
178.02724	1.9
179.03505	24.4
180.04300	53.5
181.04799	1.6
191.05618	8.7
194.05927	3.6
195.02960	3.3
195.06641	70.2
196.06815	1.3
210.05353	10.6
225.07689	51.6
268.07483	1.7
269.04526	3.0
308.06924	2.2
312.06607	1.7
324.10223	1.8
325.10849	1.6
326.11700	1.5
327.08655	3.0
339.08722	6.2
339.12399	1.7
342.11087	2.7
354.11145	2.4
357.13376	15.1
369.13516	16.6
535.20221	7.3
565.20770	31.4
566.21124	3.0
613.23663	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	613.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30889	0.4
57.03437	0.8
59.01394	1.3
61.98851	0.8
63.98883	0.4
69.44985	1.8
92.92805	0.4
95.05022	6.2
97.06638	0.7
98.22655	0.9
99.32026	0.4
107.86176	0.5
113.09753	1.8
177.12839	0.6
179.14441	0.8
181.12357	0.7
195.13918	14.9
203.09987	0.4
215.10574	0.5
217.12099	1.8
233.22736	0.4
237.14671	1.1
246.12411	1.9
247.09360	0.5
249.22285	0.9
277.21725	13.2
278.11389	5.4
278.22607	0.5
281.13620	0.4
288.30661	0.4
295.22794	100.0
296.23077	3.2
299.19980	1.2
315.19504	1.2
317.20978	48.7
318.21356	1.7
344.49524	0.5
361.19925	2.2
472.72449	0.5
498.23535	0.4
534.03503	0.4
613.44312	14.1
614.44324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01386	1.5
69.63502	2.0
78.95892	0.8
80.06028	0.6
85.61514	0.6
98.22576	0.9
111.08181	0.8
113.09741	2.7
145.81119	0.6
146.44150	0.6
177.12825	0.9
179.14546	0.8
181.12326	0.7
183.13919	2.9
187.01730	0.6
195.13916	18.2
212.66858	0.7
277.21756	15.1
295.22800	100.0
296.23184	2.6
317.20953	1.2
362.78125	0.6
613.44495	39.9
614.44904	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	614.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03094	0.2
61.98836	100.0
67.20029	0.2
69.59126	0.9
98.21937	0.4
114.53043	0.2
161.99319	0.2
179.79272	0.2
200.78922	0.2
270.79214	0.2
278.32761	0.2
293.08902	0.4
299.76538	0.2
317.08698	0.5
356.10455	0.2
363.91992	0.2
430.33734	0.2
614.15588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
64.70202	0.2
70.80500	0.3
71.33692	0.2
121.52553	0.2
202.28746	0.3
218.18562	0.2
288.96643	0.2
293.08923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74015	0.2
61.98836	100.0
65.58611	0.2
78.50499	0.2
89.02497	0.3
109.11863	0.2
178.90973	0.2
239.56097	0.2
252.48242	0.2
293.08759	0.4
429.56659	0.2
542.50073	0.2
579.81177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98836	100.0
64.93440	0.2
69.10918	1.3
74.95383	0.2
89.02432	0.3
100.13004	0.2
112.14509	0.2
115.04042	0.3
132.57770	0.2
133.01605	0.3
142.46399	0.2
147.04623	0.2
149.79277	0.2
150.04257	0.8
179.05679	0.6
191.03505	1.1
197.03142	0.3
206.00101	0.3
235.33635	0.2
338.04456	0.2
436.08026	0.2
454.09003	0.4
594.25598	0.2
614.15930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60722	1.1
55.13890	0.9
59.01382	1.4
61.71342	1.1
61.98837	100.0
68.81201	0.8
70.23676	0.9
71.01411	1.4
71.44587	1.0
80.25724	1.0
82.95390	1.3
92.94595	1.0
98.10095	1.1
137.02472	2.9
146.70561	1.0
160.08646	0.9
165.01947	15.3
166.02289	5.0
179.03542	3.6
180.04346	7.8
181.04678	2.9
195.06679	6.6
196.06970	4.6
225.07681	5.8
226.08092	2.3
269.04739	1.7
356.72452	1.1
357.13385	1.3
358.13751	2.4
370.13974	1.9
566.20929	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	614.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
64.70494	0.9
71.40469	1.1
71.40843	1.0
72.24947	0.8
96.96024	17.6
96.96948	1.5
314.89151	0.9
321.50204	1.0
605.03595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50656	1.4
59.01373	2.9
60.39024	1.1
61.98833	14.0
63.02412	2.5
65.00340	2.5
72.77766	1.2
107.01363	3.7
109.02956	1.4
113.20989	1.5
117.03433	2.0
123.19766	1.4
125.02451	1.6
133.02942	5.1
135.04584	2.1
137.02419	3.2
138.03226	1.6
149.02513	2.7
151.00363	5.2
153.02039	1.5
161.02403	2.6
162.03110	1.4
165.01952	5.2
175.04048	2.3
180.04285	3.9
185.02547	1.6
195.06598	3.4
199.03947	2.7
201.02063	1.5
225.07620	2.6
227.03503	2.5
239.03568	1.5
241.05016	1.5
255.03001	95.1
256.03674	14.2
257.84341	1.6
268.03827	5.7
269.04562	41.2
283.02490	100.0
284.03229	33.5
285.04059	49.7
285.12479	2.2
583.25574	1.4
615.20709	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	615.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01390	37.4
61.98853	7.6
61.99090	1.5
64.82547	1.4
65.79150	1.3
68.40841	1.4
70.72176	2.4
71.01392	16.6
72.99296	3.2
73.02955	7.7
83.01389	2.8
85.02954	6.4
87.00884	13.6
88.98860	1.7
89.02454	19.6
94.74853	1.5
101.02472	16.6
103.00412	2.1
109.06580	1.9
111.08108	1.8
113.02462	5.1
119.03532	8.1
121.03004	7.2
125.02397	1.8
132.02185	1.7
133.02982	24.9
134.03773	11.2
135.04550	19.6
137.02417	2.1
149.00945	16.9
149.06082	2.4
160.11356	1.3
161.02469	91.5
162.02888	1.8
163.11320	5.3
166.06372	37.9
167.06787	1.6
178.02670	4.0
179.03540	13.9
179.05602	3.5
181.08737	10.8
181.12370	20.7
181.55327	1.7
191.05637	1.8
193.05116	9.6
195.13870	2.9
212.10857	1.6
221.04514	2.3
223.06073	1.8
223.13431	10.8
225.11353	93.2
267.12387	16.1
285.03964	3.4
295.08304	2.4
297.13297	10.2
327.14532	41.2
333.28503	1.5
387.16678	38.8
388.17007	2.9
397.11469	12.3
436.17810	1.8
483.18646	8.5
533.25806	2.1
536.97845	1.9
579.20941	100.0
579.29816	6.0
580.21100	6.9
615.30090	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	615.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01390	37.4
61.98853	7.6
61.99090	1.5
64.82547	1.4
65.79150	1.3
68.40841	1.4
70.72176	2.4
71.01392	16.6
72.99296	3.2
73.02955	7.7
83.01389	2.8
85.02954	6.4
87.00884	13.6
88.98860	1.7
89.02454	19.6
94.74853	1.5
101.02472	16.6
103.00412	2.1
109.06580	1.9
111.08108	1.8
113.02462	5.1
119.03532	8.1
121.03004	7.2
125.02397	1.8
132.02185	1.7
133.02982	24.9
134.03773	11.2
135.04550	19.6
137.02417	2.1
149.00945	16.9
149.06082	2.4
160.11356	1.3
161.02469	91.5
162.02888	1.8
163.11320	5.3
166.06372	37.9
167.06787	1.6
178.02670	4.0
179.03540	13.9
179.05602	3.5
181.08737	10.8
181.12370	20.7
181.55327	1.7
191.05637	1.8
193.05116	9.6
195.13870	2.9
212.10857	1.6
221.04514	2.3
223.06073	1.8
223.13431	10.8
225.11353	93.2
267.12387	16.1
285.03964	3.4
295.08304	2.4
297.13297	10.2
327.14532	41.2
333.28503	1.5
387.16678	38.8
388.17007	2.9
397.11469	12.3
436.17810	1.8
483.18646	8.5
533.25806	2.1
536.97845	1.9
579.20941	100.0
579.29816	6.0
580.21100	6.9
615.30090	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	615.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30801	0.9
55.01884	1.9
57.03445	3.6
57.47913	1.0
59.01385	83.0
61.98842	6.6
67.63338	0.9
69.03462	2.5
71.01389	61.0
72.99311	4.3
73.02950	6.3
74.02480	1.1
79.98326	0.9
83.01394	4.0
83.05003	1.1
85.02962	13.8
85.06580	2.2
87.00886	10.8
87.04519	1.9
88.98821	7.7
89.02455	56.3
95.01398	3.2
95.05019	1.0
96.96057	1.2
97.02955	1.6
98.67645	1.0
99.00874	1.6
99.04523	1.3
101.02459	27.6
103.00398	1.2
105.01942	2.1
109.02945	2.9
112.98819	1.2
113.02454	24.9
113.06105	8.6
115.04012	3.1
116.92860	2.3
119.03510	24.9
121.02978	1.1
125.02389	1.3
125.06468	1.0
127.04033	4.5
131.03516	17.3
133.02858	1.4
134.03760	35.7
135.04514	2.0
137.02466	3.6
139.04045	5.8
142.62743	1.1
143.03500	4.8
149.00948	13.1
149.04752	2.1
149.06087	11.5
150.03232	2.5
157.05077	2.9
160.04004	1.2
161.04584	6.5
163.11311	1.1
165.05542	2.2
173.04538	3.5
178.02730	19.4
179.03459	1.2
179.03966	1.4
179.05638	15.1
181.12355	25.6
191.05687	1.4
192.04291	3.7
193.05078	65.9
195.06708	1.3
201.20320	1.0
207.06593	10.5
223.09981	1.0
225.11272	8.0
226.32832	1.0
236.26657	1.0
275.07745	6.9
281.06622	2.4
295.08304	3.5
348.03305	1.1
397.11462	3.5
435.23846	8.6
443.11768	1.2
453.24976	1.4
483.18774	100.0
484.19077	3.5
527.17615	2.7
615.19464	6.0
615.30286	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.21
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68868	0.9
61.98809	1.1
71.33271	1.0
86.73280	0.9
93.63216	0.9
98.22698	1.9
112.20489	1.1
133.82820	0.8
136.04738	0.8
252.19524	0.9
412.15543	1.4
425.16446	1.3
441.15710	1.4
453.15668	2.2
455.17084	7.7
456.16904	1.1
467.17511	2.0
468.18225	4.9
473.18390	9.0
483.20468	18.7
484.20792	1.5
499.16290	1.3
500.17224	3.6
501.21799	1.8
510.19675	1.7
511.15567	4.5
512.16754	2.1
514.18384	3.9
527.19421	8.6
528.18451	1.0
532.15845	1.3
542.18121	3.5
546.17633	6.4
571.22125	4.6
574.20892	2.4
583.17737	1.0
586.20679	5.8
587.21448	13.9
588.21625	1.5
615.21014	100.0
616.21301	11.8
618.19678	19.7
619.19897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2794
Annotation	YM 47524
Peak:m/z	Relative Intensity
51.60950	2.9
59.01380	27.1
61.98837	27.7
62.49485	3.5
69.18007	16.5
69.18425	5.5
71.01398	19.2
73.02972	3.0
77.28072	3.0
85.02966	3.9
89.02451	13.8
101.02460	17.5
113.02460	7.8
117.41236	3.0
119.03555	4.8
125.02462	4.3
146.03755	6.8
149.02406	3.8
151.04007	3.3
152.29332	3.0
161.04568	6.5
164.04800	4.9
174.62277	3.0
179.03560	4.1
179.05609	8.2
179.07143	8.3
207.12221	2.8
269.04520	3.9
323.09735	3.9
373.12830	3.3
413.31607	3.5
417.24878	10.2
453.25061	9.9
579.30255	46.6
592.90106	3.1
615.27936	100.0
616.28387	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	615.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09843	1.7
58.38106	2.1
59.01383	37.6
61.98830	14.9
70.59053	4.5
71.01394	18.8
72.99338	2.2
73.02938	3.5
85.02969	7.5
87.00889	5.2
89.02450	24.3
101.02467	18.5
113.02473	9.0
119.03519	10.6
121.02959	5.1
129.02042	1.7
133.02946	9.0
134.03746	8.6
135.04518	6.2
139.03984	2.3
143.03558	2.3
149.02448	7.8
150.03249	7.5
150.85298	2.0
161.02469	23.0
161.04602	5.1
164.04836	5.5
165.05591	4.3
166.06339	10.7
178.02747	4.3
179.03584	2.8
179.05626	5.8
179.07091	2.1
181.08728	3.0
193.01402	4.9
193.05043	15.7
195.06657	3.7
208.03761	10.0
223.06149	28.2
225.11400	4.1
269.04572	6.3
295.08142	4.7
397.11441	2.1
417.24963	7.7
579.20990	20.5
579.30035	100.0
580.30634	3.8
582.64130	2.1
610.67279	2.4
615.28021	47.6
616.28381	3.1
633.93134	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09843	1.7
58.38106	2.1
59.01383	37.6
61.98830	14.9
70.59053	4.5
71.01394	18.8
72.99338	2.2
73.02938	3.5
85.02969	7.5
87.00889	5.2
89.02450	24.3
101.02467	18.5
113.02473	9.0
119.03519	10.6
121.02959	5.1
129.02042	1.7
133.02946	9.0
134.03746	8.6
135.04518	6.2
139.03984	2.3
143.03558	2.3
149.02448	7.8
150.03249	7.5
150.85298	2.0
161.02469	23.0
161.04602	5.1
164.04836	5.5
165.05591	4.3
166.06339	10.7
178.02747	4.3
179.03584	2.8
179.05626	5.8
179.07091	2.1
181.08728	3.0
193.01402	4.9
193.05043	15.7
195.06657	3.7
208.03761	10.0
223.06149	28.2
225.11400	4.1
269.04572	6.3
295.08142	4.7
397.11441	2.1
417.24963	7.7
579.20990	20.5
579.30035	100.0
580.30634	3.8
582.64130	2.1
610.67279	2.4
615.28021	47.6
616.28381	3.1
633.93134	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	616.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
57.03475	2.2
59.01382	54.9
60.12846	1.3
69.03464	6.9
69.44032	5.7
71.01387	45.7
73.02941	15.3
74.60976	1.3
84.70664	1.6
85.02954	7.5
89.02446	52.9
97.02967	5.8
99.00883	28.5
101.02448	16.1
108.02165	1.9
111.00870	2.1
113.02460	4.8
115.04010	1.4
116.05076	4.5
125.02457	13.5
128.05070	2.5
130.06639	12.7
131.03642	8.0
142.06584	2.2
142.51791	1.5
144.04555	11.7
145.05334	1.7
146.06134	74.6
149.04593	12.7
156.08215	9.4
158.06146	11.1
158.09709	2.3
160.07680	12.8
161.04623	1.8
164.07254	2.0
166.06647	2.3
170.06133	6.1
172.07674	5.2
173.93146	1.5
174.09290	9.8
182.06139	3.1
184.07634	1.9
186.05632	2.4
188.07176	20.3
190.05109	5.0
191.05606	5.8
200.07167	14.6
206.08220	3.6
210.09288	4.6
212.07159	2.0
218.08240	10.0
220.09578	1.9
228.10379	3.2
230.08223	4.1
254.08263	9.5
272.09253	5.4
275.07507	2.2
308.11499	3.0
316.07632	1.6
350.12531	3.2
368.13309	2.2
394.11212	2.5
422.14594	5.9
425.13135	1.8
440.15598	18.9
572.19824	50.1
573.20007	2.3
579.53931	1.7
616.18866	100.0
617.18970	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	616.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
59.01381	47.1
59.93676	1.8
61.11805	1.9
61.98833	16.5
69.03464	4.9
70.06575	5.5
71.01379	34.2
73.02952	12.7
74.45471	1.8
83.01375	2.6
85.02960	6.2
85.42464	2.4
89.02447	49.3
97.02944	6.2
98.22004	2.8
99.00883	31.3
101.02438	13.8
109.57137	1.8
113.02435	5.5
116.04980	4.0
125.02454	15.4
128.05042	3.4
130.06635	15.8
131.03619	9.4
142.06624	3.8
144.04553	11.3
144.08176	3.4
144.72768	1.9
146.06123	60.4
149.04599	11.5
156.08208	7.2
158.06110	8.0
158.09735	3.1
160.07697	10.7
160.67941	1.9
160.84610	2.0
161.02351	3.1
161.04646	3.3
170.06044	3.0
172.07655	3.9
174.09230	6.6
182.06087	3.3
184.07761	3.0
186.05754	2.3
186.09262	2.9
188.07155	17.0
190.05086	3.8
191.05635	5.1
200.07146	11.8
202.08507	3.0
206.08142	2.4
210.09348	2.1
212.07202	2.4
218.08180	6.4
222.12924	1.9
230.08273	4.4
254.08186	12.5
258.16772	2.4
272.09320	6.2
273.65302	1.8
279.08633	1.9
288.94455	2.0
394.11362	2.2
408.00607	2.2
422.14520	6.6
425.12723	2.5
440.15533	19.0
441.16220	2.4
534.25409	2.1
572.19879	55.4
573.20197	3.8
587.34149	2.2
616.18854	100.0
617.18829	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	616.298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57133	0.4
61.98837	100.0
62.38201	0.5
62.76709	0.5
71.42591	0.7
72.58270	0.5
73.20630	0.5
95.46892	0.5
134.44736	0.6
147.39534	0.6
214.00197	0.5
335.95572	0.5
532.13263	0.7
553.30835	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	616.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.8
61.98824	1.8
69.59180	1.8
70.02986	18.2
71.01382	2.1
75.00884	1.5
75.70195	0.6
83.05048	1.3
91.17136	0.6
96.96039	3.9
96.99320	31.5
98.21947	1.4
99.08182	0.6
100.07696	96.9
114.01976	6.2
115.00375	0.9
126.09251	5.6
135.04491	1.0
148.03865	0.6
154.08759	32.1
161.02382	0.6
179.03473	1.0
191.05565	1.3
198.07739	100.0
199.08041	2.1
211.56290	0.6
230.10356	27.7
291.98187	0.6
319.32065	0.6
582.81415	0.7
629.38232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.22691	4.9
76.03162	0.8
78.95890	1.8
82.47153	1.0
93.84233	1.0
114.49650	1.0
174.87488	0.9
177.05879	0.9
616.21411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00528	0.7
59.01387	100.0
60.01736	0.9
61.98835	2.0
73.01049	1.0
115.02511	5.8
117.00461	7.1
132.98209	3.9
150.94838	1.1
159.01508	58.6
160.01643	2.8
174.99260	38.2
183.66232	0.8
187.00984	1.0
189.00850	2.4
192.95796	5.4
201.02551	13.4
217.00316	76.6
232.98317	2.0
237.28549	0.9
248.95973	1.2
274.99377	6.5
277.27853	0.8
290.97116	3.8
298.99283	1.1
301.02679	24.6
302.02945	2.5
316.66824	0.9
317.00439	59.3
318.00534	2.1
332.98221	21.3
359.01483	4.2
374.99246	29.7
432.98230	0.9
459.01523	2.9
460.02817	0.9
474.92529	1.5
474.99353	24.9
475.99222	1.4
480.70654	0.9
512.48438	0.8
514.97186	2.2
556.98431	34.7
557.98517	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	617.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25085	0.5
59.01382	7.6
59.37785	0.4
61.98827	1.4
69.03462	1.1
69.67487	0.9
69.67863	1.0
71.01386	3.4
85.02982	1.4
87.00883	1.5
89.02454	3.3
95.04996	0.6
101.02439	3.0
109.02946	0.5
113.02460	5.2
119.03545	2.3
121.02978	0.6
123.04522	0.7
131.03519	1.7
132.02188	1.9
133.02969	32.4
134.03745	1.5
135.04538	14.5
137.02475	0.9
149.02472	0.6
149.06116	0.7
150.03217	1.6
151.04031	0.6
161.02458	100.0
162.02823	2.1
165.01962	0.9
165.05589	1.8
175.03923	0.6
177.05516	0.5
179.03519	11.0
181.05043	1.0
193.05078	0.5
195.06606	3.4
221.04578	0.5
269.04398	0.5
275.07755	0.9
290.83945	0.5
293.08826	9.8
455.11948	40.2
456.12079	1.7
557.43018	0.5
617.15106	36.2
618.15424	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01725	0.8
51.22045	0.8
55.89948	0.7
59.01380	9.9
61.98841	4.6
67.79424	1.0
69.03462	1.0
70.90686	1.3
71.01389	5.8
71.12092	0.7
71.65124	0.8
73.02952	2.7
78.95935	2.3
83.01403	1.2
83.64751	0.8
85.02970	2.1
87.00906	1.7
89.02460	6.8
91.05194	0.8
92.44854	0.8
96.96025	39.2
96.96996	2.6
99.00894	2.9
101.02460	2.9
107.05004	1.6
113.02502	2.0
119.03542	1.1
123.04469	0.8
128.03560	3.2
131.03491	2.2
133.02931	1.4
134.03781	3.8
135.04541	97.7
136.04860	1.1
137.02493	1.7
149.04579	2.3
149.06120	0.9
153.79422	0.8
161.02458	3.2
161.04639	1.3
161.07224	8.6
164.95840	0.8
165.05524	0.9
175.08757	2.1
179.03516	100.0
180.03848	1.4
189.06735	10.3
190.78453	1.0
191.05714	2.0
203.08286	1.8
259.37857	0.8
293.08810	2.0
296.22882	1.0
341.08829	6.4
383.09598	0.8
386.95056	1.0
467.03238	0.8
573.29248	1.9
617.21478	12.9
617.31879	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	617.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15556	0.6
57.03455	0.8
59.00246	0.6
59.01382	11.8
61.98809	0.6
69.03455	0.8
69.33953	1.4
69.34364	1.8
71.01385	7.5
72.99321	0.6
73.02950	1.9
73.53951	0.5
75.44540	0.6
83.05025	2.3
83.80347	0.6
85.02962	1.7
87.00883	1.2
89.02450	6.2
93.03442	0.7
96.96026	1.6
97.02955	1.0
101.02448	6.1
103.32741	0.6
107.05003	0.6
109.02944	1.3
111.04527	3.2
112.01662	0.6
113.02450	5.8
117.03490	0.7
119.03508	2.5
123.04552	1.4
125.02476	1.9
131.03525	2.1
132.02191	1.9
133.02972	27.5
133.04008	1.5
134.03699	1.9
135.04535	20.0
136.99133	0.8
137.02481	1.5
141.01711	2.0
143.03546	0.8
149.06100	0.7
151.04015	0.9
155.03506	1.3
161.02457	100.0
162.02769	2.0
165.05667	0.7
177.05644	1.2
179.03513	22.7
179.05211	1.1
188.04895	0.8
203.03505	3.5
221.04454	0.8
245.08205	0.6
275.07816	3.7
289.07028	1.1
293.08807	12.8
293.11914	1.1
294.09167	0.6
317.08783	7.2
341.08844	2.2
347.09793	1.4
376.00616	0.7
377.10855	1.3
389.65930	0.6
395.12140	1.3
397.82797	0.7
455.13654	16.3
497.12857	0.9
557.16211	0.9
617.17218	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	617.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11915	0.6
59.01378	3.6
69.03477	0.7
71.01390	3.5
73.02968	1.0
85.02964	1.1
89.02449	2.7
96.96028	7.4
99.00910	0.8
101.02464	1.9
107.05056	1.2
109.02973	0.6
113.02468	2.0
117.03520	0.7
119.05045	0.6
133.02972	2.3
134.03741	3.8
135.04543	98.2
136.04855	1.4
137.02519	0.7
161.02455	6.1
161.04527	0.9
161.07236	3.7
163.04102	0.7
169.43336	0.5
175.08765	0.8
179.03514	100.0
180.03847	1.4
189.06723	4.5
191.05620	2.3
203.08220	0.9
275.07770	1.6
293.08856	1.8
323.48935	0.7
341.08774	6.3
443.38388	0.7
455.12317	2.0
541.58716	0.7
617.15576	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	617.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23871	0.6
56.69492	0.6
57.03456	0.7
59.01386	15.8
60.57796	0.6
69.03461	2.4
71.01393	6.5
85.02963	1.8
86.68871	0.6
87.00881	1.6
89.02442	7.8
95.01404	0.8
101.02455	6.5
103.01514	0.9
106.41635	0.6
113.02463	8.6
115.04008	0.7
119.03510	3.4
121.03006	0.6
125.02435	0.8
131.03529	2.6
133.01465	1.0
133.02972	22.9
133.05096	0.8
134.03786	1.0
135.04535	14.8
137.02457	1.1
149.06104	1.4
160.19547	0.7
161.02460	100.0
162.02797	1.5
163.04065	1.0
175.04034	0.8
177.05614	1.4
179.03514	14.9
191.05605	1.6
203.03450	1.0
221.04520	2.9
251.05695	1.2
281.06729	1.4
281.10065	0.5
293.08829	22.7
341.08890	2.5
395.09805	1.8
397.47342	0.7
438.24774	0.7
455.11972	75.2
456.12363	2.8
557.21313	1.1
617.17267	12.8
617.26703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.5
61.15439	8.1
61.98825	32.1
76.04649	10.5
85.32050	8.1
87.79561	8.7
93.69083	11.3
150.03220	52.0
165.05586	85.1
168.62712	9.5
195.06596	81.8
232.57396	8.5
321.07822	17.7
337.07327	20.1
340.09332	11.1
355.11826	43.2
367.11926	100.0
471.00708	10.0
551.19226	13.7
581.20630	53.1
581.28510	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	617.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35912	6.7
59.01391	17.2
61.98827	27.7
65.03495	6.6
70.05048	14.0
71.01388	8.8
82.95391	8.5
84.28141	8.5
84.95118	24.1
101.02490	9.0
104.77821	6.4
122.03703	8.4
149.02448	7.6
150.03256	78.2
151.01817	6.4
165.05589	84.8
175.04018	15.6
178.23045	6.9
190.06252	11.5
195.06689	78.0
273.18164	7.5
321.07642	22.3
325.07410	10.9
337.07251	17.0
339.08603	14.4
340.09540	17.9
355.11935	37.7
367.11945	100.0
385.87939	7.9
403.21060	7.3
503.16962	17.2
533.18115	41.9
551.19354	30.6
581.20386	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80693	1.0
57.03443	3.0
59.01387	30.4
60.75095	1.0
61.98827	1.2
69.03461	4.1
70.57242	1.1
70.57561	1.7
71.01392	32.0
73.02949	3.4
73.24188	1.2
79.67065	1.1
83.01383	2.2
83.05026	7.2
85.02962	29.5
87.00888	2.9
89.02460	18.2
93.03465	2.2
95.01404	9.7
101.02457	14.1
109.02953	1.7
111.04523	4.0
113.02467	68.2
119.03527	6.1
123.04565	1.6
131.03502	9.5
133.05099	1.8
135.04515	1.6
137.02477	3.0
143.03519	3.2
155.03539	1.5
160.63190	1.1
161.02422	1.4
161.04570	12.8
167.03479	1.7
179.03484	1.5
179.05670	3.8
222.95840	1.2
241.41077	1.2
275.07666	1.1
278.29529	1.1
293.08896	8.5
437.13086	4.2
455.14133	100.0
456.14352	4.7
479.14133	12.0
491.13647	1.4
569.72784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53695	1.9
53.14078	1.9
59.01372	4.6
61.98835	12.4
73.69174	1.7
82.95445	2.2
86.72591	1.8
96.96021	7.0
101.02468	1.9
109.02943	3.9
123.04537	4.9
125.02451	4.1
135.04510	2.9
137.02449	4.3
139.04057	2.7
149.02409	3.9
151.03976	2.6
155.76918	1.7
165.05562	2.7
177.01927	7.7
179.12715	1.7
189.05588	8.0
190.02835	2.8
191.09589	2.3
201.01825	4.8
203.03554	2.4
204.04182	2.1
213.02017	2.2
216.00645	3.1
225.05351	2.1
225.09126	2.0
229.01367	5.8
229.05180	2.3
241.01379	2.8
241.05154	2.5
242.02094	3.0
243.06650	4.2
247.06116	2.0
257.08179	5.6
268.03781	1.9
269.04568	8.7
283.02548	2.4
326.37442	2.2
328.13403	2.4
329.13947	6.9
337.10806	2.1
341.13892	6.9
342.14679	1.8
343.15491	2.3
363.40640	1.9
367.15408	6.7
369.08865	2.7
369.13452	44.6
377.17944	2.1
385.16656	10.0
390.57639	2.2
409.16281	2.5
411.14401	6.1
423.18085	4.3
437.15665	2.0
465.15558	4.1
531.20404	6.3
555.20264	2.3
573.21381	30.0
574.22272	3.3
599.19348	8.2
617.20331	100.0
618.21002	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	617.2033
Annotation	Kadsuphilol F
Peak:m/z	Relative Intensity
54.27953	1.8
59.01366	3.0
61.98823	8.7
66.28363	1.6
68.50891	1.7
69.06118	12.8
71.01381	2.9
79.89931	1.5
83.01392	2.6
89.02460	1.9
93.03516	1.9
96.96035	5.8
97.02964	2.0
109.02962	5.0
121.02962	2.4
123.04501	5.0
125.02436	4.3
137.02440	6.0
147.04465	1.9
149.02380	3.1
151.04007	2.0
155.29660	1.6
159.04506	2.0
161.02386	2.8
161.06000	2.0
165.05637	2.0
174.03238	2.1
176.01158	2.2
177.01973	9.5
189.01852	2.9
189.05536	8.2
190.02715	3.6
195.06622	3.0
201.01962	2.1
203.03465	3.3
203.07014	1.8
204.04214	2.3
205.05035	2.4
215.03525	1.9
216.00597	2.2
229.01381	8.7
241.01523	3.3
242.02313	2.1
243.06638	4.8
251.11292	1.6
257.08142	5.8
259.15152	1.8
269.04529	7.9
281.08255	2.0
283.06244	2.4
329.13950	6.4
337.10867	1.8
341.14005	9.9
367.15521	4.3
369.13477	40.0
379.15674	3.2
385.16461	7.6
411.14331	6.1
421.16757	2.5
423.18100	4.8
437.16028	2.9
465.15823	5.2
491.10492	2.0
531.20209	5.9
555.20319	4.4
557.26709	2.4
573.21344	36.5
599.19092	9.2
617.20258	100.0
618.20581	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	617.2204
Annotation	2,2'-biporphyrin
Peak:m/z	Relative Intensity
59.01387	20.5
70.50429	2.0
70.50756	1.7
71.01389	16.5
73.02951	9.8
83.01385	2.0
85.02946	3.9
87.00855	2.7
89.02448	19.0
95.12462	1.7
99.00890	14.9
101.02453	8.6
104.64549	1.5
113.02464	5.2
125.02471	3.4
131.03503	7.4
135.04532	8.5
140.32170	1.4
149.04575	6.1
160.06413	5.1
161.02521	3.4
161.04541	4.5
161.07224	49.5
168.26973	1.8
168.63741	1.3
175.08754	15.1
177.51483	1.5
179.03539	10.4
187.08783	1.6
189.04993	3.0
189.06709	59.1
191.05531	2.7
203.08302	10.6
210.21503	1.4
221.06670	2.6
246.57254	1.7
284.58237	1.4
305.11447	5.6
353.10965	5.6
455.12024	2.4
617.22076	100.0
618.22620	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	617.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29899	8.9
59.01382	75.1
62.23726	9.4
96.96014	100.0
96.96973	8.6
98.15981	8.3
103.01489	70.8
186.68777	8.4
189.82556	8.7
243.06955	8.9
266.65680	8.6
292.20294	8.5
304.48602	8.1
364.09451	8.2
607.82520	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	617.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68966	5.7
59.01384	100.0
62.51205	5.8
65.06645	6.5
69.16630	37.1
72.79419	6.6
75.00874	12.1
78.95894	12.9
89.37928	6.5
96.96031	33.8
103.01501	73.7
111.66434	5.4
152.99547	14.4
234.47353	6.4
299.03235	6.4
312.41000	6.4
482.75406	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	617.3702
Annotation	Gamboukokoenside B
Peak:m/z	Relative Intensity
52.10878	6.6
59.01385	96.2
71.01388	54.0
71.18993	12.6
85.02979	7.5
89.02445	80.1
93.56460	7.1
101.02439	8.7
106.23634	7.6
113.02440	9.7
114.41925	8.1
116.56631	6.9
118.62804	7.3
131.03465	11.2
134.91684	7.1
138.32072	6.3
149.04538	27.8
155.38130	8.2
193.85432	6.7
203.26494	7.2
423.32697	67.3
617.37067	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	617.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44889	0.4
61.98823	0.5
72.77829	0.4
76.15121	0.4
109.85366	0.4
112.95097	0.4
113.09703	0.6
148.32324	0.4
163.48978	0.5
181.12370	0.8
183.13908	46.8
184.14268	1.0
203.10568	1.1
221.11597	0.7
223.13159	13.2
234.41916	0.4
237.11151	1.0
267.12231	2.7
279.23343	6.6
297.24362	100.0
298.24634	3.2
319.22559	7.1
363.21518	1.1
427.35358	0.5
485.71237	0.5
486.82388	0.5
575.02252	0.5
617.47626	34.3
618.47461	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	618.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02036	0.8
57.03455	1.6
59.01410	0.9
65.00318	2.7
67.01878	0.9
68.99819	1.8
69.28506	1.8
69.28905	2.8
81.03486	0.8
83.01383	7.1
100.66318	0.8
107.01403	3.4
109.02950	2.9
112.95334	1.2
114.63352	0.7
115.54807	0.7
123.04535	2.9
125.02452	8.7
132.94426	0.8
137.24240	0.9
151.00389	12.3
151.03996	3.8
153.01947	100.0
154.02284	1.7
171.42522	0.7
179.03548	0.8
238.44250	0.8
283.10406	0.7
302.72580	0.8
305.06656	3.3
332.85208	0.7
421.54977	1.0
454.62204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	49.9
61.98833	2.1
62.92382	1.2
70.38194	2.6
71.01388	21.6
72.23908	1.6
73.02961	9.7
80.91683	1.5
82.95398	1.1
83.01386	3.3
85.02951	8.6
87.00880	1.5
89.02454	27.5
90.68147	1.3
95.01376	2.4
96.96007	1.4
101.02449	15.2
113.02455	16.7
117.07696	1.3
119.03494	11.4
119.89457	1.3
131.03555	1.8
135.04517	2.1
139.25427	1.2
140.04478	1.3
142.22896	1.3
143.03517	3.2
149.04588	1.9
151.00304	2.2
161.02463	1.8
161.04572	4.5
179.05618	5.1
183.04578	2.6
191.05594	1.3
211.04095	3.5
227.03487	2.6
255.03030	45.9
256.03265	2.3
283.02505	100.0
284.02942	5.9
285.01166	2.1
285.04086	23.1
329.13892	2.8
429.08319	4.0
430.09030	44.1
431.09720	13.9
473.10809	3.9
487.34283	2.2
559.27771	4.3
619.16748	35.2
619.38403	4.7
620.17291	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	619.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45687	0.5
58.30728	0.5
59.01382	1.9
65.00349	0.6
69.24255	3.2
71.01389	1.1
78.56645	0.5
83.01393	0.8
87.00874	0.7
89.02466	0.8
93.03468	1.4
98.22642	1.1
107.01407	0.7
117.03472	1.2
149.88887	0.7
151.00380	1.8
154.04262	1.8
155.04990	1.1
155.10783	0.5
157.06664	0.6
159.04456	0.9
163.00354	0.9
165.01988	1.4
169.05357	0.6
169.06543	3.1
170.83035	0.5
171.04515	0.9
173.02454	1.3
183.04567	3.4
185.06102	2.5
187.04036	1.6
189.05594	1.6
197.05962	0.5
199.04045	0.8
201.26523	0.5
201.71820	0.6
209.64684	0.5
211.04015	2.4
212.04723	0.5
213.05617	3.7
215.03513	1.9
227.03539	5.8
229.05101	1.9
239.03497	0.8
241.05225	0.9
243.02977	0.8
255.03011	42.2
256.03632	2.1
257.04565	3.5
283.02499	90.7
284.03082	7.1
285.04068	100.0
286.04535	3.1
430.09064	20.5
431.09830	51.0
432.10086	2.0
441.65433	0.6
473.10846	4.2
592.68097	0.6
619.16705	41.9
620.16962	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	619.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64744	0.5
59.01381	2.4
61.98830	1.7
63.95883	0.5
68.04784	0.6
70.14669	0.7
70.99720	0.9
71.01403	1.4
72.14169	0.6
87.00870	0.5
89.02441	0.7
93.03477	1.3
96.95985	1.3
99.97960	0.5
101.02432	0.9
107.01404	1.0
109.02922	0.8
113.02446	1.0
117.03511	0.9
123.00915	1.2
125.02463	0.6
133.02951	0.7
135.04575	1.0
137.02504	0.9
151.00392	1.9
155.05136	0.7
159.04532	1.2
161.02489	1.5
166.99947	0.8
167.04999	0.6
168.10753	0.6
169.06630	1.0
179.03490	0.7
182.02217	2.5
183.04498	3.1
185.06104	1.0
191.05566	0.7
197.04488	4.7
211.04016	2.8
213.05537	1.1
217.65240	0.5
220.02205	0.6
227.03566	4.7
234.65729	0.6
239.03757	0.6
255.03015	39.3
256.03448	1.4
257.04633	1.2
269.04538	1.1
283.02509	100.0
284.03046	5.6
285.04074	30.1
286.04593	0.9
331.15933	0.7
339.05225	0.7
352.00693	0.7
430.09091	33.8
431.09799	15.4
473.10849	3.1
619.16748	47.8
620.17261	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	619.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16329	0.3
59.01375	0.5
61.98824	1.3
63.02411	1.0
63.40186	0.3
65.00343	1.1
83.01388	0.6
85.06604	1.5
96.96001	0.4
98.30450	0.3
107.01417	2.7
109.02962	0.8
113.06125	2.8
115.04021	1.4
115.24909	0.4
115.88467	0.3
116.92880	0.4
121.02979	0.8
130.17245	0.4
133.02954	4.7
134.03757	0.7
139.04034	0.7
149.02452	1.4
151.00398	4.9
157.05092	1.1
163.04047	0.4
169.01527	0.4
171.04550	0.5
175.04051	1.8
177.01927	0.6
183.04645	0.4
199.03981	2.0
200.04790	0.4
201.01950	0.8
211.03984	0.8
212.04909	0.4
213.05496	0.3
215.03445	0.5
217.01463	0.3
217.05107	0.9
227.03526	1.3
239.03389	0.7
241.05118	1.0
243.02995	0.4
250.72537	0.4
255.03072	3.0
256.03757	2.6
257.04562	0.7
269.04321	0.7
283.02509	1.9
284.03296	47.3
285.04062	100.0
286.04376	2.1
297.04047	0.9
298.04797	0.6
299.05624	18.2
300.06415	0.4
306.08286	0.4
314.71204	0.3
327.05103	1.3
343.11792	1.5
438.88519	0.4
440.69400	0.4
446.08508	1.1
447.09296	5.3
461.10925	13.8
462.10626	0.4
488.09589	0.4
489.10434	54.4
490.10675	1.8
503.11963	1.2
575.21606	0.5
601.15576	8.0
602.15918	0.8
619.16406	10.6
620.16760	0.5
638.07153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30694	0.2
58.17749	0.3
61.34786	0.3
62.03543	0.3
69.23148	1.6
78.40154	0.2
93.11364	0.2
98.22729	0.6
99.92713	0.3
104.02668	0.4
110.55369	0.2
116.92860	0.9
117.90024	0.2
118.04266	1.6
132.02209	0.5
134.03740	0.3
143.08716	0.3
145.02963	0.3
148.01656	0.7
161.02409	0.7
162.03267	1.9
176.01155	1.4
179.86842	0.3
181.06583	0.3
185.06096	1.3
189.01923	2.0
190.02734	8.1
191.03473	0.3
191.17004	0.3
198.06868	1.0
199.07658	15.8
200.08220	0.8
203.03532	2.5
213.73784	0.3
222.01604	1.6
223.92516	0.3
225.05612	1.8
227.07150	2.5
229.05083	4.6
230.05821	3.0
231.06725	0.7
243.06639	15.7
244.07362	5.0
254.55670	0.3
255.14000	0.3
267.06628	1.8
281.08401	0.4
299.12909	16.4
300.13098	0.4
325.10773	3.7
343.11874	100.0
344.12265	3.8
362.53998	0.3
436.27942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2565
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
77.42222	1.8
91.34493	1.7
100.33809	2.1
111.12600	1.7
119.14867	2.0
207.44969	2.0
215.50040	2.0
229.26044	2.2
236.85368	1.9
254.43965	2.7
297.46994	2.0
327.52280	2.0
415.15802	2.4
416.16544	12.2
418.60931	2.1
429.17084	2.1
430.17868	2.9
458.17151	2.3
459.18292	92.2
460.18619	5.4
473.19873	17.0
474.20450	6.7
476.46356	2.2
518.19543	49.0
519.20184	3.3
532.21106	9.3
533.21960	100.0
534.21912	5.5
546.23199	2.1
587.22968	5.0
619.25665	84.8
620.25989	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	619.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	2.6
78.95908	6.0
91.72587	2.1
95.01395	2.8
96.96020	9.9
98.13658	2.1
98.22632	4.4
102.94269	1.9
107.05019	2.9
111.00934	2.0
112.47895	1.9
117.03483	2.0
123.00929	15.6
129.01959	6.4
136.01683	3.8
137.02475	6.1
138.03183	2.9
139.03951	2.0
147.00923	3.2
148.01648	6.0
149.02461	4.3
152.99631	6.7
160.01707	3.4
161.02388	2.7
169.37912	2.3
171.08192	5.4
173.02449	2.4
175.04028	10.0
176.01103	3.0
179.03496	8.5
185.06038	2.6
187.00320	2.9
187.07677	3.6
188.04652	3.0
189.94882	2.5
190.02805	3.9
190.06477	10.5
191.03564	7.5
191.07182	7.5
199.07666	6.3
200.01201	6.8
201.01917	6.3
201.05621	2.5
203.03491	8.8
204.04369	2.3
207.02988	14.0
207.10313	4.0
217.01700	2.3
217.04970	2.7
218.05930	6.4
219.02911	3.2
222.05383	3.6
227.03368	5.4
227.07037	3.4
228.00661	15.1
229.01410	9.1
230.02185	6.2
231.03004	4.6
232.03824	3.8
239.03592	2.5
241.05197	2.5
243.02988	24.7
243.06622	99.5
244.03677	5.3
244.07344	3.3
245.04587	4.6
247.02519	6.7
257.11804	3.4
259.13409	24.8
260.03247	9.7
260.14221	12.2
262.04779	15.7
270.01688	3.3
271.02505	4.1
273.14920	5.5
274.15771	19.1
275.05634	19.4
275.16425	7.5
279.02954	3.7
285.04022	7.5
287.16608	9.3
292.03802	2.8
299.05634	2.6
300.06488	5.1
312.13742	41.1
313.14270	3.4
321.04050	3.6
327.08682	4.7
327.16049	100.0
328.16324	5.8
336.06506	3.7
338.07919	2.5
339.16010	3.2
344.16147	3.3
346.08624	3.1
347.09241	6.4
353.10373	3.2
357.07883	2.6
363.08789	2.4
375.08777	8.8
379.15582	2.9
381.06271	3.1
383.15137	23.7
383.19638	3.4
384.15775	3.7
391.08356	3.3
393.09430	2.8
395.07724	6.0
398.17410	39.2
399.17975	8.4
407.07355	4.9
407.15024	14.3
408.15778	2.9
411.18225	13.7
416.16040	2.8
419.07736	5.4
422.17307	9.6
423.18045	4.0
433.12744	6.7
434.10028	4.7
437.19687	12.7
444.15701	8.9
448.15118	4.1
449.12341	27.9
459.18112	14.7
461.15833	2.8
463.17767	11.1
469.33255	4.9
474.20541	4.6
475.17462	7.4
476.18246	8.4
477.19095	8.2
481.15280	4.5
491.20734	7.8
503.17197	43.0
506.23056	10.3
518.19476	68.8
519.19989	6.6
532.21368	5.9
535.19647	39.9
537.31604	3.0
550.22180	52.6
587.26770	5.2
604.27106	4.2
619.29388	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	619.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.27906	8.3
75.00887	15.5
83.84364	7.6
92.92677	7.9
96.96022	8.2
103.00390	8.6
103.01477	53.4
108.40730	7.0
124.00102	14.8
129.55513	8.1
154.39594	7.7
185.67821	7.9
245.91220	6.6
325.93124	8.0
468.09299	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	620.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75175	1.6
55.82468	1.2
59.01084	2.3
59.01384	45.7
61.98834	7.7
64.25681	1.6
69.03480	4.3
71.01392	19.8
83.01392	2.7
85.02960	5.1
87.00893	5.1
87.04525	1.8
89.02450	21.7
98.21773	1.9
101.02466	15.1
111.14235	1.3
113.02469	21.4
119.03512	10.3
120.04524	1.8
120.71517	1.4
123.55357	1.5
126.45909	1.6
131.03519	4.7
133.02951	4.9
142.91870	1.7
148.04089	10.9
157.77422	1.6
176.03540	11.4
190.61845	1.5
208.80307	1.6
218.06146	4.0
234.05522	8.7
236.07057	1.7
275.07669	2.2
280.06216	3.5
293.08832	100.0
294.07602	7.8
424.12518	6.7
556.14648	14.0
581.97858	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	620.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
57.03448	2.3
59.01089	0.7
59.01383	13.5
61.98820	2.0
63.05897	0.5
69.24112	3.5
71.01388	10.3
71.87598	0.5
72.00917	2.4
72.99290	1.0
73.02959	4.8
74.02480	74.9
75.02776	0.7
82.74015	0.6
82.95387	0.7
83.01402	4.4
85.02973	6.1
86.00087	0.7
86.01284	0.6
87.00875	1.0
87.17034	0.6
89.02434	1.7
95.01401	1.5
98.06098	0.7
98.22599	1.5
99.00881	1.6
100.52059	0.6
101.02451	9.3
104.03534	0.8
109.77848	0.5
111.00890	1.2
111.03312	0.7
112.37482	0.5
113.02452	3.9
118.05127	8.5
119.03480	0.7
125.02462	1.2
126.05613	1.8
133.03052	0.6
143.10742	1.2
144.51965	0.6
149.04652	0.6
161.04561	0.8
179.03520	0.7
179.05614	1.0
211.17004	0.7
252.69553	0.6
309.24377	0.7
313.27576	0.7
315.74982	0.7
339.25378	6.4
370.29623	0.8
381.26434	0.6
421.93668	0.6
458.27512	3.2
483.29596	1.2
501.30753	24.5
502.31024	1.1
555.27637	1.2
561.28943	0.8
576.33911	28.8
577.34424	2.0
585.29382	1.9
602.36090	1.0
620.36554	100.0
621.26965	1.9
621.36841	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	620.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
59.01381	8.0
61.62591	0.7
61.98833	11.0
64.62024	0.5
71.01383	5.0
71.43198	0.7
72.00919	2.2
73.02969	2.1
74.02482	100.0
75.08844	0.6
81.93740	0.6
82.95435	0.9
83.01394	1.3
85.02966	2.9
87.00877	1.0
89.02464	2.4
90.00711	0.7
95.01390	0.8
96.96040	0.7
101.02460	4.0
104.03549	1.5
109.02953	1.0
113.02470	2.2
114.82471	0.6
118.05125	8.3
133.02954	0.9
135.04564	2.1
161.02467	1.7
161.04582	0.8
179.03551	1.2
243.19635	1.2
285.04086	2.1
286.04477	0.7
309.24536	1.6
339.12280	0.7
353.23712	1.1
384.08820	0.7
408.04611	0.7
458.27512	4.8
501.30283	0.8
576.33960	21.7
577.34418	2.3
620.36646	72.7
621.37286	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	621.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
61.85871	0.3
68.03928	0.3
69.41968	1.4
71.01398	0.8
74.06193	0.3
81.03463	0.6
81.48553	0.3
87.00892	0.5
89.02477	0.4
89.03963	1.7
93.03462	5.0
96.15669	0.3
96.96032	1.3
104.02673	0.3
104.82961	0.3
105.03467	4.2
121.02932	0.4
133.02974	10.2
135.04515	1.1
137.02446	5.2
148.01671	0.3
149.02435	1.1
154.71175	0.3
161.02422	0.3
165.04129	0.3
176.01132	1.1
177.01936	100.0
178.02231	1.8
179.03539	0.4
179.10767	0.4
191.05602	0.8
242.02196	0.5
255.02954	0.6
270.01569	0.5
271.02499	0.8
280.17807	0.3
285.04010	0.4
299.01895	1.3
339.06781	0.4
373.51974	0.3
445.07828	2.2
459.09302	4.6
621.14581	16.8
622.15063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.2
59.15575	0.6
70.58978	1.6
71.01392	4.6
72.15533	0.6
85.02938	1.1
87.00925	0.8
88.98809	2.2
89.02455	8.9
93.03454	0.8
101.02457	2.3
101.51665	0.6
103.95218	0.6
113.02478	1.8
119.03532	3.4
121.02969	65.4
122.03330	1.1
131.03529	0.7
135.04526	1.2
148.04063	100.0
149.04427	2.3
152.29663	0.6
161.04605	1.9
164.68199	0.7
179.03470	0.6
179.03990	0.9
179.05632	10.6
265.07526	6.1
309.06512	8.2
310.09445	6.7
350.15997	0.8
459.15317	0.8
494.72830	0.7
621.12524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	47.3
61.98833	16.5
71.01397	29.6
73.02957	12.7
73.39953	4.6
74.02482	7.5
77.81615	4.7
85.02972	9.0
87.00903	5.2
89.02459	33.2
93.03545	4.7
96.96017	49.6
98.22723	6.7
101.02451	16.1
109.57266	4.0
113.02470	14.4
125.02459	5.7
131.03500	9.6
149.04608	14.1
151.04021	9.8
161.02391	9.6
161.04613	7.2
179.05675	8.8
234.54883	4.5
291.19727	5.1
327.12384	7.7
453.25095	8.8
489.27481	6.2
561.29749	8.3
585.29248	100.0
606.01056	4.1
621.26367	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.7
57.03447	11.3
57.19549	3.4
57.61195	4.0
58.32680	3.2
59.01385	89.1
59.57732	3.4
61.98834	23.2
63.96236	4.4
69.13434	24.6
71.01392	75.8
72.99316	5.4
73.02962	25.1
74.02480	100.0
74.61104	3.7
75.02791	4.0
77.01550	3.2
82.95424	7.2
83.01398	14.1
85.02963	31.0
87.00877	10.5
89.02457	62.3
95.01421	6.3
96.96021	22.0
96.96996	4.1
97.02960	4.7
98.22741	7.7
99.00886	15.1
101.02454	66.1
102.85448	3.2
109.02940	4.0
113.02484	30.4
118.05132	9.5
119.03496	16.1
125.02452	11.9
131.03522	8.9
135.04453	4.2
135.98367	5.4
143.03427	4.4
149.04552	28.0
161.02530	3.8
161.04544	18.0
175.64958	4.0
179.05606	30.4
179.10834	3.8
191.05571	7.7
206.93561	3.2
221.06665	8.3
223.13376	3.6
251.07664	6.1
261.18655	5.6
269.04480	6.7
287.05573	7.8
291.19437	5.0
309.20465	4.9
339.25427	5.6
340.25949	6.0
341.55402	3.6
399.24146	8.7
489.23373	4.3
501.30875	21.2
502.31128	17.4
503.24896	4.1
555.28168	18.0
561.29242	46.4
576.33936	23.9
577.34509	33.2
585.29187	69.9
586.30170	4.0
620.36639	38.5
621.26904	93.1
621.36700	91.3
622.27588	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	621.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87911	1.4
72.28970	1.2
78.52407	1.2
92.94084	1.6
96.95982	1.4
110.76242	1.4
121.37318	1.3
389.00778	1.5
445.16663	4.5
446.17035	2.2
460.19122	23.7
461.19696	17.0
474.20233	2.9
475.21436	11.0
476.22229	2.4
519.20349	21.4
520.20697	4.6
533.22034	3.3
534.22498	3.9
535.22974	5.4
621.27173	100.0
622.27887	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	621.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
58.00606	0.4
59.01387	23.8
69.09592	2.5
71.01390	10.0
71.08788	0.4
72.99323	0.8
73.02948	1.2
75.00886	0.4
83.01361	0.8
85.02956	2.9
87.00893	4.8
89.01938	0.7
89.02453	8.8
91.69851	0.4
95.01390	0.8
99.00879	0.8
101.02454	6.8
107.08683	1.7
112.98812	0.7
113.02444	3.3
116.92877	2.1
119.03506	2.5
125.09722	1.1
127.11298	1.2
130.99857	0.7
137.09683	0.4
143.82997	0.3
149.00941	1.1
155.10832	0.6
161.02553	0.4
171.10298	3.7
199.09769	0.8
201.11339	22.0
273.18588	0.8
291.19614	1.2
309.20703	2.2
327.21841	1.1
444.86429	0.4
471.26016	0.6
489.27097	100.0
490.27469	4.2
621.27332	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	621.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02083	1.7
55.01879	2.0
57.03444	2.5
59.01385	95.8
61.98833	10.9
69.03443	1.9
71.01387	73.6
72.99326	2.9
73.02947	13.8
79.96906	1.7
83.01385	4.5
83.32564	1.8
85.02959	20.7
87.00887	8.6
89.02452	78.4
90.53899	1.8
95.01419	5.7
99.00893	4.7
101.02455	62.9
106.20353	1.8
112.86313	1.8
113.02472	33.6
119.03506	36.1
120.03808	2.2
125.02474	3.5
127.09223	1.8
131.03543	10.0
143.03519	9.7
151.00342	2.0
161.02509	3.4
161.04568	23.5
166.02753	4.3
179.05620	100.0
181.05136	7.0
189.89215	2.2
219.59633	2.0
221.06664	27.2
285.03979	3.0
340.45490	1.8
417.15533	5.3
443.06458	3.8
561.29102	33.4
562.29279	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	621.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.4
57.03439	7.0
59.01384	62.7
61.98837	16.8
64.33687	1.9
67.01894	2.3
69.94967	6.7
71.01389	68.7
72.99326	3.1
73.02949	23.4
74.02481	91.5
75.02809	5.4
82.96632	2.3
83.01380	11.1
85.02966	26.6
87.00861	5.5
89.02457	29.0
95.01390	5.3
96.96016	8.2
97.02928	2.8
99.00874	8.0
101.02448	56.3
110.89057	2.2
111.00908	2.8
111.03268	2.9
112.13876	2.1
113.02451	24.7
115.04053	2.4
116.92934	2.3
118.05108	7.6
119.03522	14.1
122.03725	2.3
125.02460	7.2
131.03517	4.9
143.03511	4.4
149.02448	2.6
149.04536	6.1
150.03214	16.5
150.08945	2.3
161.04578	24.8
165.05565	16.8
179.03465	2.4
179.03961	2.8
179.05609	30.1
180.04282	3.0
195.06696	14.4
195.58598	2.4
221.06651	9.5
259.06165	2.7
269.04712	2.4
340.25729	6.0
357.13379	8.0
358.13568	2.4
369.13406	9.1
399.23886	10.0
419.01685	2.2
446.14453	2.5
501.30515	6.2
502.31042	28.0
503.24997	5.9
535.19678	16.8
536.20129	3.1
537.20422	3.2
543.28296	3.9
561.29230	51.8
562.29291	3.1
576.33673	9.8
577.34216	34.8
583.22235	5.1
585.29688	11.0
620.36310	9.5
621.26984	14.7
621.36786	100.0
622.27356	2.7
622.36499	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	622.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11076	1.4
51.93352	1.4
59.01385	100.0
63.94469	1.5
75.00914	1.6
78.95913	2.2
79.58757	1.4
80.09131	1.5
85.91085	1.5
89.68217	1.6
89.79113	1.4
92.99454	1.4
102.95679	4.2
103.01505	88.4
120.17096	1.4
175.13234	1.4
279.23352	2.9
622.25848	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	622.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.02745	1.7
78.95912	2.8
93.17708	1.8
102.95692	2.3
103.00391	3.4
103.01506	85.7
121.72395	1.6
152.99512	2.3
163.44362	1.7
164.27788	1.6
197.16595	2.1
208.03232	1.5
279.23230	2.4
511.29880	1.7
523.14172	1.8
623.24951	5.1
629.22314	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	623.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25529	0.2
50.32884	0.2
54.02720	0.2
55.01873	0.3
57.03443	0.3
59.01384	3.1
61.98823	0.9
70.29236	0.4
70.29589	0.2
71.01389	4.9
72.99308	0.4
73.02956	0.5
74.02466	0.6
75.00891	0.3
75.67120	0.2
85.02956	4.5
87.00883	1.0
89.02452	0.3
91.58875	0.2
95.01410	1.1
99.00886	0.7
100.37302	0.2
101.02438	0.3
103.00387	0.9
107.01386	0.3
109.02959	0.5
113.02456	4.6
115.00362	1.4
117.03487	0.6
118.70526	0.2
129.01953	0.3
132.02168	1.1
133.02966	23.2
134.03687	0.3
135.04536	7.1
137.02429	0.2
143.04997	0.2
147.04504	0.4
148.05319	0.3
149.06165	0.4
150.86034	0.2
151.00345	0.2
157.01497	0.3
159.04489	0.4
161.02452	100.0
162.02783	1.7
163.03867	0.3
175.02483	2.7
175.04024	0.7
177.05556	0.7
179.03490	3.0
191.03493	0.3
201.05458	0.3
203.03514	1.3
217.04915	0.3
219.02921	1.3
227.03535	0.7
229.05014	0.4
245.04604	1.9
255.03009	1.0
256.03452	0.2
257.04587	0.6
277.03436	0.4
283.02451	0.4
284.03256	0.8
285.04077	5.8
286.04425	0.3
337.05676	30.8
338.05814	1.1
400.30154	0.2
443.06183	1.8
461.07278	0.4
491.28708	0.6
587.21838	0.2
622.34271	0.6
623.10535	2.2
623.33759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1262
Annotation	Isoorientin 3'-O-glucuronide
Peak:m/z	Relative Intensity
59.01384	2.8
59.89850	0.3
63.02419	0.5
65.00337	2.4
71.01389	4.6
75.00886	1.0
82.79432	0.4
83.01408	1.5
85.02953	2.3
87.00901	0.8
93.03493	1.1
95.01403	0.6
99.00895	0.9
101.02448	0.6
103.00386	1.1
107.01406	4.8
108.17200	0.3
109.02971	2.4
110.80674	0.3
113.02460	2.5
117.64541	0.3
119.01421	0.7
121.02976	3.6
124.01681	0.4
133.03004	0.9
135.00903	0.4
135.04552	3.1
137.02460	1.1
147.04546	0.9
149.02481	1.1
151.00388	21.7
157.06589	0.4
159.04544	2.0
161.02521	0.9
163.00407	2.6
163.04041	0.4
164.01207	0.8
165.01959	1.1
167.05077	0.4
169.01450	0.4
170.03857	0.5
173.06024	0.5
175.00439	0.7
175.02534	1.7
175.03943	0.5
177.01955	1.7
178.02306	0.6
178.99899	2.2
179.02312	0.4
179.03586	2.6
183.04559	0.8
185.06126	1.7
187.04051	1.3
189.02014	0.6
189.05621	0.4
190.99928	0.5
192.00668	0.4
201.05579	2.0
203.03569	0.8
211.03967	2.7
212.04816	0.6
213.01950	1.2
216.04092	0.4
226.02805	0.7
227.03552	2.1
228.04314	0.6
229.01399	0.8
229.05061	3.2
239.03610	0.6
243.03035	2.3
245.04561	1.2
254.02235	0.7
255.02994	8.5
256.03647	0.9
257.04602	1.2
259.02557	0.7
271.02539	8.1
272.03174	0.7
273.04050	1.8
281.06686	0.8
283.02499	0.9
283.85568	0.3
285.04083	1.0
299.02124	0.8
299.97760	0.4
300.02783	12.7
301.03564	100.0
302.03876	3.8
339.05225	2.0
447.09378	92.0
448.09763	3.9
461.10938	0.9
475.17459	0.5
518.30017	0.4
623.12634	14.7
624.13135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1261
Annotation	Luteolin 7-glucoside-3'-glucuronide
Peak:m/z	Relative Intensity
55.01862	0.4
57.03442	1.2
59.01388	6.2
60.57170	0.3
62.68350	0.3
65.00336	0.5
67.12915	0.3
69.28191	2.0
71.01392	7.8
72.99323	0.8
73.02964	0.5
75.00886	1.9
77.48405	0.3
83.01396	1.0
85.02965	8.1
87.00887	1.6
87.49160	0.3
89.02454	0.8
92.77560	0.3
93.03472	1.1
95.01411	2.6
98.22590	0.8
99.00880	3.4
101.02459	0.3
103.00375	1.9
105.01889	0.3
107.01403	1.2
113.02460	14.5
115.00357	0.8
116.42247	0.4
117.01947	1.0
121.02903	0.4
129.01970	0.7
130.27596	0.3
133.01463	0.4
133.02922	0.7
135.04533	1.1
137.02441	0.5
143.04941	0.6
151.00406	2.2
154.04326	0.3
159.04489	0.8
161.02463	0.7
163.00388	0.5
169.06590	1.1
171.04552	0.7
172.95276	0.3
175.02515	5.3
175.04008	0.6
179.03458	1.1
185.06120	1.2
187.04012	1.0
189.05618	0.4
211.03911	0.6
213.05574	0.4
214.02838	0.4
227.03517	2.2
229.05078	1.0
239.03311	0.5
241.05139	0.4
243.03142	0.5
255.02954	1.9
257.04486	1.1
284.03214	2.5
285.04068	100.0
286.04434	2.2
297.04047	0.5
298.04892	0.7
299.05386	0.5
301.03546	1.4
327.05109	3.7
447.09375	18.1
448.09656	0.9
461.07156	3.8
503.07925	0.5
623.12634	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	623.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03431	0.6
59.01385	6.5
63.02422	0.4
66.05020	0.3
67.01893	0.4
69.32915	0.7
69.33328	1.4
71.01390	7.6
72.99297	0.9
73.02944	0.6
75.00868	2.2
83.01399	1.0
84.02222	0.3
85.02957	8.4
87.00887	2.1
89.02444	1.0
93.03467	1.2
95.01392	2.3
99.00899	3.1
103.00381	2.2
107.01406	1.0
109.02985	0.5
112.98864	0.4
113.02463	14.7
115.00364	1.3
117.01948	1.0
121.02954	0.4
129.01938	0.6
133.02960	1.0
135.04544	2.9
137.02470	0.8
143.05075	0.4
149.00922	0.5
151.00391	2.5
154.04243	0.5
159.04555	0.6
159.54773	0.3
161.02475	0.5
163.00410	0.6
164.01239	0.5
166.02148	0.4
167.04977	0.4
169.06612	1.0
171.04518	0.3
173.02443	0.4
175.02528	5.2
175.03952	0.7
175.50620	0.3
177.01932	0.4
179.03534	2.0
185.06129	0.8
187.03972	0.9
191.05582	0.5
201.05594	0.4
211.04031	0.7
213.05528	0.8
225.05537	0.4
227.03577	2.0
229.05096	1.5
239.03671	0.4
241.08755	0.4
243.02980	0.8
255.02953	2.9
257.04559	1.4
269.04572	0.7
284.03281	2.9
285.04074	100.0
286.04578	2.5
296.84763	0.3
297.04224	0.3
298.04752	0.6
300.02890	0.5
301.03619	3.0
307.06165	0.5
327.05060	2.8
329.06808	0.7
339.04968	0.5
443.06055	0.5
447.09384	17.9
448.09747	0.6
461.06973	3.8
465.33160	0.4
503.07672	0.4
505.13803	0.3
565.46692	0.4
623.12555	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	623.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.1
59.76426	0.8
61.98836	1.3
67.17722	0.7
70.48314	1.2
70.48639	0.7
71.01396	1.2
75.66502	0.6
84.46750	0.9
89.02444	1.2
96.77130	0.8
107.01429	1.8
116.06828	0.8
151.00406	2.8
164.01366	0.8
183.04572	1.9
187.04059	0.9
199.04005	4.9
215.03543	2.6
226.02960	1.0
227.03523	5.0
228.04073	1.0
242.02304	2.4
243.02988	25.1
244.03488	1.8
254.02332	1.2
255.02998	18.6
257.04559	3.2
270.01712	3.4
271.02505	42.2
272.03107	4.8
285.04175	6.2
286.04895	1.1
287.05716	1.5
287.09213	0.9
299.01996	41.1
300.02744	35.4
301.03104	1.1
314.04361	32.8
315.05130	100.0
316.05551	3.6
357.06491	1.0
623.16235	82.8
624.16608	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	623.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
61.98605	0.7
61.98838	7.8
66.29371	0.8
68.62743	0.9
69.16794	5.5
71.01380	1.5
73.02940	1.3
73.23074	0.7
75.51929	0.8
85.02935	1.2
87.00932	0.9
89.02432	1.6
98.22641	1.6
100.47767	0.8
101.02462	1.1
113.02512	1.2
121.02943	1.1
133.02991	1.2
135.04471	1.4
136.44063	0.9
146.70882	0.8
151.00392	3.1
161.02505	1.1
163.00397	1.4
166.02713	3.1
181.05106	4.1
191.05624	1.1
199.04001	3.1
201.01955	1.2
215.03442	1.4
226.02695	3.0
227.03455	2.9
243.02945	9.4
244.03584	0.9
254.02249	4.6
255.03110	7.5
256.03571	1.5
271.02496	70.2
272.02954	4.5
272.32126	1.0
283.02493	2.1
284.03268	15.8
285.04126	1.9
297.03818	1.1
299.01953	47.8
299.05585	17.5
300.02771	55.2
301.03418	2.2
315.05121	100.0
316.05499	3.8
352.85193	0.9
387.14627	4.2
424.07416	0.9
456.24353	1.2
461.18204	2.5
608.13971	3.4
623.16235	81.1
624.16516	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	623.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
57.65584	0.7
59.01388	3.3
61.98832	1.7
71.01373	1.4
71.41566	1.0
74.02474	0.8
75.00867	1.2
78.59138	0.7
81.03464	2.6
83.01401	3.8
85.02962	0.9
88.98843	0.7
89.02460	1.1
93.03496	2.1
95.01418	1.1
95.05039	2.8
97.02955	5.0
101.02458	1.3
103.00431	0.8
103.01485	0.9
108.02200	1.3
109.02959	18.1
113.02458	1.0
113.06138	1.0
116.92810	0.8
117.92855	0.7
118.85514	0.6
121.02987	3.1
122.03745	2.1
123.04536	15.5
125.02463	15.1
133.02907	0.7
135.04533	2.0
137.02458	24.3
138.03238	0.8
139.04030	4.6
145.02884	1.1
149.02437	5.0
150.03201	1.4
151.00461	0.8
151.04007	7.6
152.79829	0.8
159.04518	2.2
160.05316	1.3
161.02490	6.9
161.06126	3.6
161.39369	0.8
162.03169	1.4
163.00385	0.7
163.04045	2.5
164.01183	4.0
164.03529	0.9
165.01930	7.3
167.03503	2.8
175.04077	1.6
175.07655	1.3
177.01961	1.1
177.05643	1.7
179.03528	8.5
185.06123	1.0
187.04030	4.0
188.04851	3.8
189.01945	2.7
193.05006	0.7
202.06412	1.4
203.07170	11.3
205.05096	7.8
217.08810	1.0
221.08289	2.2
227.07152	1.8
230.05733	1.0
245.08211	15.6
259.09857	0.8
271.02469	1.7
271.06177	1.1
284.09494	0.8
289.07214	100.0
290.07581	2.4
299.01889	1.2
300.02798	1.2
303.08777	14.2
313.07382	2.1
315.05127	3.5
363.71292	0.7
390.35544	0.9
433.11316	0.9
436.87729	0.7
451.12558	9.3
461.11285	1.0
465.14307	5.6
466.73145	0.8
471.15506	0.9
491.28549	1.7
493.13541	10.4
623.19330	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	623.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66787	0.2
59.01397	0.3
60.47764	0.2
61.98831	0.5
69.13114	1.3
71.01425	0.3
77.19822	0.2
94.06837	0.2
96.96030	0.4
98.22654	0.3
104.02670	0.2
105.03531	0.3
107.01397	0.2
118.04261	1.8
125.19812	0.2
132.02193	1.2
134.03749	0.4
135.04628	0.2
137.80109	0.2
145.02985	0.3
161.02504	0.7
162.03239	2.1
164.10335	0.2
185.06033	1.4
189.01918	1.2
190.02745	8.3
195.26477	0.2
198.06940	0.7
199.07660	13.1
200.08286	0.5
201.01917	0.4
203.03508	1.3
215.07120	0.2
216.04271	0.3
222.01721	1.5
225.05609	2.1
226.06406	0.7
226.80399	0.2
227.07156	2.4
229.05066	5.4
230.05835	1.7
243.06627	19.5
244.07379	5.6
245.07970	0.4
257.08252	0.8
276.06363	0.4
285.04138	0.3
285.15097	0.4
289.07108	0.3
301.14655	0.2
304.98022	0.2
311.12964	0.4
328.13251	0.9
329.13965	100.0
330.14291	4.1
371.15121	0.3
410.14001	0.2
417.03036	0.2
591.52032	0.2
623.23505	37.6
624.23926	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	623.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10162	0.5
55.01878	0.9
57.03439	1.3
58.00569	0.8
59.01387	11.5
61.98826	2.2
62.40174	0.5
71.01395	5.5
72.99291	1.7
73.02953	2.1
75.00867	1.0
82.95425	0.7
83.01387	1.5
85.02980	2.9
87.00892	6.3
88.98800	0.7
89.02446	2.3
92.73248	0.5
93.03501	0.6
95.01359	0.7
96.96010	1.8
99.04533	0.6
101.02456	4.7
109.02988	1.2
111.00893	0.8
112.98793	1.1
113.02486	3.1
119.03506	0.9
119.26526	0.5
121.02971	2.3
122.03788	2.6
123.04525	0.8
125.09736	1.9
127.11304	2.5
133.02957	1.9
134.03769	7.7
135.04549	2.6
137.02502	0.9
140.47955	0.5
147.04532	1.0
149.00902	1.0
149.02470	1.6
150.03247	5.9
151.04001	1.1
155.10829	0.8
160.01665	1.9
161.02435	1.6
164.03557	4.9
164.04771	0.9
165.04042	1.1
165.05580	6.8
165.09236	1.3
171.10289	3.3
175.04018	3.0
177.01855	0.9
178.02759	0.8
179.03525	2.1
179.07123	1.1
189.01913	0.7
193.05080	5.9
195.06647	2.5
199.09721	0.7
201.11346	22.5
243.06552	1.2
269.04489	1.2
270.04904	0.9
271.02490	1.7
275.20181	0.6
279.08966	0.7
282.09128	0.6
284.03299	4.3
286.07034	0.8
293.21338	1.2
299.05615	7.5
300.02704	0.8
311.22220	2.6
315.05121	1.4
329.13943	1.5
329.23413	5.6
341.10236	2.4
343.11841	2.6
346.07565	2.9
346.14108	1.0
347.07950	4.0
361.16602	11.1
362.16910	0.8
373.12784	0.8
391.14233	2.9
427.16132	13.5
428.16034	0.8
455.26648	0.7
473.27386	3.7
491.28680	100.0
492.28922	7.2
575.21545	1.3
623.30786	2.0
626.62970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.4
60.36035	0.6
61.98838	6.6
71.01408	3.3
73.02971	1.8
74.02475	0.8
85.02967	2.3
87.00885	7.1
87.04523	5.9
89.02455	1.5
92.31656	0.7
93.03479	1.7
96.95996	1.0
97.02976	1.1
101.02464	1.1
101.41958	0.6
109.06631	0.7
112.98811	0.8
113.02446	1.2
120.26865	0.6
121.02975	84.8
122.03310	1.2
125.54119	0.6
128.03548	1.0
130.99892	1.3
135.04550	1.7
137.02541	0.9
137.09746	3.9
138.44768	0.7
139.07654	1.6
148.04074	28.7
149.00874	0.8
151.11436	0.6
155.10806	22.1
160.04131	1.2
161.02461	1.3
162.90137	0.8
164.80731	0.7
169.12405	1.3
177.01994	1.0
179.10806	1.7
181.08701	2.0
181.12326	0.9
191.10814	1.6
193.12498	0.8
195.10321	1.9
199.09805	11.1
213.11383	1.8
223.09981	0.9
241.10828	4.0
253.10930	0.9
255.12468	1.4
283.11865	5.0
339.31494	0.6
343.13977	2.6
491.28439	0.8
492.18814	100.0
493.19113	5.2
624.19415	1.2
624.36816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
60.70867	0.2
61.98835	100.0
63.71824	0.2
71.01398	0.2
73.02950	0.2
81.92393	0.2
101.02438	0.3
101.30988	0.2
111.32715	0.2
121.02995	0.2
161.02548	0.2
182.12740	0.2
248.89873	0.2
263.93564	0.2
274.81625	0.2
350.45374	0.2
366.30676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03455	1.0
59.01384	31.7
68.98988	0.5
69.03461	4.4
69.35783	2.0
71.01388	15.6
72.99313	1.3
73.02963	0.9
79.61060	0.5
83.01385	1.3
85.02962	3.2
87.00886	2.6
87.04533	1.2
88.65888	0.5
89.02451	15.9
95.01394	0.7
101.01803	0.7
101.02451	10.7
113.02456	13.0
114.93475	0.4
119.03515	6.9
130.02773	0.5
131.03511	6.0
133.05101	1.7
136.47308	0.4
153.58791	0.5
168.99155	0.6
179.05714	0.9
275.07755	0.9
290.56177	0.4
293.08810	100.0
294.09171	2.5
331.04233	1.4
442.59692	0.5
465.08783	0.5
625.13708	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	625.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98185	0.4
59.01383	0.9
63.02408	0.5
63.25985	0.4
65.00330	0.9
71.01396	0.8
71.41135	0.5
75.51222	0.4
76.55523	0.4
78.38798	0.4
83.01447	0.5
101.02441	0.4
102.59205	0.4
107.01407	1.6
109.02959	1.0
113.02453	0.4
119.05032	0.5
120.34237	0.4
121.02983	1.1
125.02466	1.8
133.02986	1.2
135.00926	0.6
137.02434	0.7
147.00908	0.5
149.02489	0.7
151.00381	7.3
151.03966	0.7
152.01117	0.6
158.03735	0.4
159.04601	0.7
161.02374	0.6
163.00438	0.8
171.04527	1.0
172.05284	0.4
173.06055	0.4
174.74980	0.4
175.00446	0.8
175.04001	0.8
176.72858	0.5
177.02005	0.5
178.99876	1.7
187.04024	0.7
190.99823	0.5
199.03970	3.6
201.01894	1.0
203.03482	0.9
211.04068	0.5
215.03560	2.1
226.02682	1.1
227.03534	3.1
229.05051	0.8
243.02954	4.7
245.04617	0.6
254.02208	0.6
255.03072	1.9
259.27261	0.4
271.02499	55.1
272.02948	2.9
273.04013	0.5
282.02036	0.5
285.04004	0.6
287.05875	0.5
289.06934	0.5
299.01990	100.0
300.02679	14.4
301.03546	42.0
301.07129	0.9
302.03918	1.5
313.03564	1.1
314.04166	0.5
319.19147	0.5
343.04523	1.1
375.98660	0.4
379.34769	0.5
462.08096	25.1
463.08856	36.9
464.09094	1.6
505.09448	0.9
535.19165	0.5
536.00677	0.4
625.14136	66.5
626.14404	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	625.1417
Annotation	Gossypetin 3-rutinoside
Peak:m/z	Relative Intensity
54.92366	0.5
55.17347	0.5
55.68039	0.5
59.01377	2.3
63.02437	0.7
65.00339	1.0
71.01394	1.1
73.02950	0.7
82.95428	4.7
83.01398	0.8
84.95129	1.4
85.02972	0.5
89.02472	1.5
91.01894	0.4
92.39125	0.4
93.03508	0.7
99.00869	0.6
99.92551	0.5
101.02457	0.8
107.01411	1.9
108.02224	0.9
109.02989	2.1
116.92890	3.6
119.04942	0.4
121.03007	0.6
124.01653	3.4
125.02459	2.2
131.03476	0.6
134.03748	0.5
135.00827	0.6
135.04530	1.2
137.02438	2.9
145.03008	0.4
148.01668	0.6
149.04608	0.6
151.00392	11.1
151.01572	0.8
151.03993	0.5
152.01161	3.0
153.01953	1.1
159.04539	0.6
161.02361	0.7
163.00403	2.3
163.04088	0.5
164.01186	3.3
165.01907	0.9
165.05624	0.6
167.03583	1.0
169.01440	0.6
175.04015	0.7
177.01895	0.5
178.02748	0.5
178.99892	8.1
179.03503	0.8
187.03996	0.9
192.00533	0.6
193.01440	1.0
197.95522	0.5
199.04070	0.7
203.03552	1.5
204.04343	0.6
214.02724	7.7
215.03444	1.0
227.03522	1.0
232.03781	1.0
242.02216	8.0
243.02992	4.6
244.03564	0.6
255.03003	1.8
259.02478	7.9
267.09857	0.5
270.01761	7.1
271.02505	48.7
272.02921	2.0
287.02002	27.6
288.02670	2.4
299.02158	2.2
300.02759	5.6
301.03604	3.8
315.01364	0.9
316.02261	100.0
317.02957	16.7
381.52628	0.6
429.14087	0.8
463.08472	2.2
608.47894	0.6
625.14130	97.0
626.14423	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	625.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38739	1.0
70.43308	1.2
70.55472	1.3
70.55872	0.9
71.01420	1.1
72.99295	1.6
78.95896	1.2
96.64035	1.2
128.97887	1.2
132.04562	100.0
233.67474	1.1
250.09781	1.1
427.01010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90113	0.6
56.73956	0.5
59.01380	2.6
71.01389	2.3
71.42049	0.8
72.99314	25.8
81.90324	0.8
87.00877	1.1
87.15909	0.6
89.02460	2.0
90.93375	1.2
101.02439	1.4
103.44345	0.8
106.71923	0.7
113.02437	1.0
119.03609	1.2
132.04570	100.0
133.04900	1.8
139.37718	0.7
150.05620	1.5
164.05795	0.7
170.99796	1.5
186.99272	1.9
229.00319	1.3
233.22830	0.7
265.09793	0.7
275.07895	0.8
293.08844	3.5
317.08792	1.0
331.03540	4.1
347.09973	0.8
349.01025	1.2
435.38004	0.8
465.09509	2.8
535.09985	1.1
587.39581	0.7
595.41650	0.8
625.13416	3.0
636.44141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74468	1.8
70.82335	1.8
82.89999	1.8
101.55461	2.1
112.02552	1.8
213.10353	9.7
215.11993	2.1
299.13992	2.6
433.13171	5.6
434.13702	1.9
447.14740	3.9
448.15207	10.7
449.16144	5.1
463.17816	23.5
463.23785	3.6
464.17993	2.2
477.19543	2.9
478.20297	3.8
479.20990	18.0
491.17316	33.7
505.18674	3.6
506.19556	8.1
507.20435	5.1
507.39896	2.4
514.79333	2.0
523.20013	3.9
538.22174	38.3
539.22717	12.3
543.88049	1.9
545.08484	2.0
593.23615	9.7
625.26740	100.0
626.27173	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	625.2813
Annotation	Manauealide A
Peak:m/z	Relative Intensity
59.25129	1.2
61.98824	1.4
62.15766	1.2
74.29019	1.1
75.39380	1.1
78.95895	1.6
115.55503	1.1
145.47815	1.0
147.03351	1.2
167.88892	1.2
187.49425	1.2
189.19186	1.1
243.06625	2.8
261.24463	1.1
305.04553	1.2
313.14407	2.9
375.08777	1.3
419.07886	6.0
425.13809	1.4
487.14069	4.9
501.15762	2.2
506.61725	1.2
511.21167	12.2
537.19055	1.9
539.20734	5.8
625.28119	100.0
626.28595	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	626.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98837	100.0
69.12294	1.6
71.01399	0.3
88.48239	0.2
89.02423	0.2
93.03487	0.3
98.22637	0.3
118.62347	0.2
133.03055	0.3
141.04933	0.2
161.02498	0.3
191.05644	0.5
227.03589	0.5
242.28441	0.2
252.48167	0.2
255.03047	1.8
283.02487	3.8
284.03311	0.8
285.04080	7.4
416.07703	0.9
431.09830	2.0
432.10532	0.3
563.14124	6.0
564.14948	0.4
622.86060	0.3
626.23596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32565	1.1
57.03487	1.4
59.01387	12.6
61.98832	10.5
71.01390	6.4
72.99326	2.7
73.02972	6.8
85.02949	2.4
87.00891	15.0
87.04520	12.3
88.36500	1.2
89.02435	2.6
92.37007	1.2
93.03435	2.8
97.02960	2.8
101.02471	11.4
108.02197	4.2
108.11264	1.5
109.02954	4.0
112.98836	1.7
123.04476	1.4
128.03551	3.1
132.04575	47.0
135.04518	1.9
135.08180	1.6
137.09721	16.7
150.05608	13.8
152.01123	3.6
153.01996	2.0
155.10808	89.9
156.11154	2.1
161.02452	2.3
161.04587	1.7
169.12338	5.4
175.13196	1.3
177.09154	1.4
181.08786	6.4
189.46857	1.2
191.05618	6.5
199.09782	100.0
200.10114	2.8
213.11365	3.0
227.68118	1.4
241.10857	22.9
253.10786	2.9
255.12309	1.8
271.11823	6.2
283.02469	1.6
283.11963	8.0
284.02924	1.9
285.03973	3.5
294.56119	1.3
301.12952	19.0
343.14075	9.1
361.15076	12.5
453.17380	1.9
469.30270	1.7
476.19315	4.7
494.20398	50.3
494.28046	2.8
494.30777	2.0
495.20316	1.6
582.21234	1.7
626.21118	10.4
626.31104	6.1
627.31317	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	626.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24452	1.2
52.80198	1.0
58.00592	1.9
59.01384	12.3
61.98847	8.7
69.03417	2.1
69.19163	6.1
71.01398	5.5
72.99314	2.4
73.02943	5.0
85.02974	3.9
87.00880	14.1
87.04527	10.4
89.02454	1.5
97.02914	1.2
99.04559	1.4
101.02461	9.5
108.02187	3.3
109.02977	1.4
113.02452	1.7
119.03465	1.5
121.02930	1.4
125.02448	2.0
128.03549	4.1
130.99855	2.5
132.04570	50.9
133.04961	1.5
135.04529	1.8
135.08144	1.7
137.09714	14.8
139.07660	1.5
143.03508	1.1
149.00900	1.3
150.05621	11.6
151.11299	2.4
152.01187	2.8
155.10800	93.0
156.11124	2.6
161.02507	2.9
161.04526	1.6
167.10773	1.2
169.12335	5.0
179.10805	2.7
181.08690	6.9
191.05669	7.5
191.10739	2.0
195.10295	1.9
199.09779	100.0
200.10120	2.6
213.11333	3.2
241.10831	24.9
253.10829	3.2
271.11844	4.6
283.11923	10.1
285.04025	3.3
301.12943	24.2
302.13092	1.4
343.13998	6.2
361.15021	11.3
451.87286	1.3
472.01257	1.6
476.19250	4.5
494.20349	54.0
495.20639	2.8
543.24475	1.3
625.31036	1.9
626.20978	7.5
626.29248	7.4
627.32581	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	627.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81982	1.7
55.48184	1.7
59.01387	10.1
62.44596	1.9
63.79328	1.4
67.01873	1.6
68.83801	1.5
70.74123	1.7
71.01382	5.8
71.44695	1.8
72.15189	1.5
77.03959	2.4
85.02942	4.5
85.67640	1.7
87.00872	4.0
89.02423	3.2
93.03483	16.3
95.05051	4.6
96.95987	2.1
98.65304	1.6
105.03484	12.9
109.02950	2.5
111.04519	6.4
121.03014	2.4
123.04531	8.9
133.02974	80.1
134.03772	13.7
135.04547	75.4
137.02438	6.4
149.02441	3.5
150.03217	11.0
151.04028	6.3
153.05606	3.2
155.03516	5.4
161.02417	2.4
165.01944	3.2
165.05515	2.7
171.64426	1.6
173.04581	27.6
177.01947	45.7
178.02718	15.1
179.03516	100.0
180.04211	2.3
185.06015	2.8
191.05638	12.8
195.06557	3.6
201.05731	1.7
225.07866	2.2
229.05042	7.2
273.04019	7.0
293.63748	1.7
311.07642	2.7
313.09451	3.3
351.07367	11.2
352.07785	2.8
353.08929	4.6
357.13510	2.4
447.09122	5.5
453.10556	8.8
465.14175	2.3
627.15649	48.3
628.16345	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	627.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.3
66.65156	0.6
67.01893	1.9
69.56213	1.9
69.56592	1.1
71.01390	2.3
73.02945	0.6
81.03484	0.6
85.02958	10.3
87.00877	4.4
88.16521	0.6
89.02465	1.2
91.01941	0.6
93.03468	13.6
95.01397	0.6
96.74538	0.6
96.96033	0.9
98.22700	0.5
99.00927	0.6
101.02460	0.9
109.02970	2.0
111.00877	0.7
111.04548	2.2
113.02483	1.0
119.03508	0.9
121.03012	0.7
127.04016	2.9
133.03000	2.1
135.00934	0.5
135.04535	4.2
141.07150	0.7
143.42542	0.5
145.02872	0.5
155.03542	0.5
155.05032	0.9
157.06653	1.2
158.03729	0.6
159.04567	0.7
160.01730	0.7
161.02499	1.0
165.01929	2.2
167.05077	1.0
169.02956	0.8
170.03789	0.9
171.03062	0.7
172.96649	0.7
173.04599	5.0
173.05994	0.9
177.01944	0.9
179.03514	1.8
180.04295	1.3
181.04982	0.6
182.03760	0.6
183.04507	4.2
184.05334	1.5
185.06097	14.1
187.04039	1.3
191.05624	100.0
192.05948	1.2
195.06662	2.0
199.04065	0.7
199.07619	0.9
201.05588	1.1
203.07161	0.7
210.05354	0.7
211.04012	8.8
215.05545	0.8
225.07709	1.3
227.07169	1.5
229.05060	9.7
243.06583	0.5
253.05049	1.5
255.03081	2.8
271.06076	1.6
273.04053	1.8
301.07047	0.9
351.07288	2.6
391.10199	0.9
399.05209	0.5
403.10086	0.8
435.09338	7.2
447.09146	1.5
453.10477	3.4
491.15338	1.0
627.15625	39.5
628.15839	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41110	0.9
51.58168	1.1
59.01378	12.4
61.98819	2.9
67.01917	1.4
71.01390	5.6
78.92902	1.2
85.02953	10.0
87.00889	4.5
89.02433	2.2
90.55312	1.0
93.03470	14.3
95.01376	1.4
101.02474	2.2
105.03471	3.5
108.02184	3.4
109.02946	3.6
111.00884	3.2
111.04545	2.8
113.02469	2.2
116.92836	1.2
121.02972	3.2
122.03689	2.0
123.04549	1.4
124.01672	3.9
125.02428	2.1
126.03214	1.8
126.97941	1.0
127.04015	2.0
132.02174	2.5
133.02972	25.1
134.03778	6.2
135.04539	100.0
136.05341	10.4
137.02420	2.3
140.92444	1.1
149.02463	2.4
150.03242	17.0
151.03995	8.7
154.96762	0.9
155.03549	1.2
159.02780	1.1
160.01674	4.2
161.02464	12.6
162.03107	1.1
163.04021	1.3
165.05586	17.1
173.04573	9.6
175.03967	1.2
177.01903	8.3
179.03511	29.0
179.05136	1.5
180.04190	3.7
180.86282	1.0
183.04546	2.4
191.05626	86.3
192.05945	2.5
194.05817	2.9
195.06635	20.1
209.08185	9.5
211.03975	3.8
215.05652	5.3
227.03406	2.3
229.05144	2.7
255.02983	16.9
256.03250	1.3
273.04053	2.9
284.03360	2.4
285.04022	9.4
286.04391	2.1
307.08270	2.8
308.08905	7.4
339.05194	1.7
351.07281	12.3
352.08029	4.9
353.08755	9.7
405.15836	1.3
429.21677	1.6
431.09601	2.9
435.09317	4.0
447.09320	13.8
627.15686	89.3
628.15869	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	627.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.01386	8.7
60.99299	4.7
61.98817	2.1
65.23040	1.1
67.01900	14.9
69.03467	3.0
69.12936	8.2
71.01382	6.7
81.03453	2.5
83.05020	1.7
85.02943	6.6
87.00883	15.5
87.19907	1.3
89.02440	3.5
93.03465	83.9
99.00909	2.1
99.04488	1.6
103.79864	1.5
105.03456	3.0
105.12299	1.3
107.05028	1.4
108.02180	2.3
109.02934	5.6
111.00872	1.9
111.04514	10.9
113.02446	2.0
121.03025	2.0
122.44534	1.2
123.04485	2.4
124.01654	3.1
129.01953	3.0
133.02983	22.5
134.03777	6.3
135.04535	54.7
136.05257	4.8
137.02435	1.8
149.02466	1.4
150.03186	4.1
151.04033	3.5
155.03407	2.3
155.10823	2.0
160.01630	2.4
161.02460	15.4
165.42752	1.3
173.04561	26.5
177.01903	7.8
178.02661	2.2
179.03499	17.8
191.05626	100.0
192.05946	1.8
211.03951	3.3
215.05620	10.5
229.05017	4.6
255.03038	8.1
273.04034	5.2
275.38882	1.4
285.04105	2.4
307.08188	3.9
308.08899	6.0
351.07208	30.8
352.07776	4.3
353.08807	7.5
426.78522	1.2
435.09335	6.7
447.09293	10.3
627.15649	73.4
628.15900	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	627.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01382	8.2
60.99303	2.8
63.90935	1.0
67.01892	11.7
68.36219	0.9
69.03460	3.9
70.79966	1.9
71.01382	6.7
81.03474	1.6
83.05035	2.7
85.02951	3.9
87.00886	12.4
89.02474	2.4
93.03468	67.5
99.04530	1.3
101.02478	1.8
103.74777	1.0
105.03474	3.2
107.97489	1.0
108.02180	2.1
109.02947	5.4
111.00902	1.3
111.04538	8.0
117.50823	1.0
119.03556	1.4
124.01661	1.6
127.03967	1.4
129.01939	1.2
132.02184	2.2
133.02969	19.3
134.03766	5.4
135.04538	35.3
136.05270	3.1
137.02446	1.8
150.03249	1.9
151.04016	3.9
155.03539	2.7
156.34625	1.0
160.01671	3.9
161.02420	3.2
173.04568	27.3
174.20026	0.9
177.01933	7.8
178.02672	2.9
179.03519	12.8
179.05023	1.7
179.88577	1.0
185.02292	1.1
185.06062	1.3
191.05632	42.0
191.07359	2.3
211.04063	2.5
215.05649	9.7
227.03545	1.4
229.04883	1.6
255.02957	3.4
255.42557	1.2
273.04031	1.5
285.04083	1.4
307.08203	2.9
308.08994	3.1
351.07211	23.8
352.07892	3.2
353.08783	1.7
435.09451	5.0
447.09406	3.7
534.86975	1.2
556.49182	1.3
627.15680	100.0
628.16174	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	627.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85951	1.8
59.01388	13.9
60.99303	3.8
61.98801	2.9
67.01889	10.3
69.03453	2.5
70.90121	1.5
71.01411	8.9
79.47795	1.8
85.02960	4.5
87.00879	15.7
89.02455	3.9
93.03468	76.3
94.46146	1.8
101.02463	4.1
104.28583	1.6
105.03470	3.1
109.02961	6.9
111.00903	3.3
111.04511	9.4
121.03001	2.6
124.13142	1.6
132.02188	2.3
133.02974	27.1
134.03741	6.8
135.04533	38.0
136.05261	4.0
137.02435	3.6
150.03148	2.3
151.04015	5.0
155.03519	5.9
160.01640	5.3
160.85541	1.7
161.02406	5.6
167.19852	1.8
173.04567	66.6
177.01888	11.4
178.02672	3.9
179.03516	17.2
191.05630	47.9
215.05707	10.5
218.05338	2.1
229.14525	4.1
255.03070	5.4
295.18088	1.7
307.08435	2.4
308.09140	2.9
351.03189	2.8
351.07266	33.5
352.07773	2.5
353.08530	2.7
397.26425	1.8
435.09210	6.4
447.09308	3.0
566.53235	2.2
627.15674	100.0
628.15601	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	627.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39790	2.3
59.01385	46.8
69.03461	4.6
71.01391	32.9
72.99316	20.6
75.00879	90.3
83.01440	2.9
83.05032	22.5
85.02954	10.4
86.20788	3.0
87.00893	6.9
89.02447	39.8
92.78667	2.6
93.03483	7.6
95.01406	2.7
99.00868	2.8
101.02442	32.7
109.02953	4.0
111.04534	26.0
113.02459	21.4
119.03520	19.9
121.26183	2.6
122.53895	2.7
123.04531	4.1
128.22063	2.5
131.03548	12.6
133.01407	4.9
133.05057	2.8
137.02481	7.5
155.03555	5.8
160.77863	2.5
161.04649	4.4
179.05600	12.3
185.06100	2.9
191.05653	10.2
191.35976	2.7
275.07764	27.6
293.08823	100.0
294.09030	5.2
317.08792	73.2
318.09198	3.2
335.09674	4.0
347.09906	23.5
377.10977	13.5
395.11993	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	627.2103
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.98816	1.0
70.32227	1.6
73.02957	1.1
84.52620	0.8
94.83049	0.9
97.82482	0.9
98.22588	1.1
110.08537	0.8
125.32404	0.8
133.47989	0.8
228.26659	1.0
408.11392	0.9
425.41568	1.0
437.12485	1.9
438.13226	2.8
450.13214	1.0
451.14194	2.0
452.14789	5.1
465.15948	1.2
480.14716	2.2
481.15021	10.2
493.15076	2.4
495.16812	21.0
496.16656	1.6
508.17972	4.7
509.18332	1.6
523.20935	1.2
535.16156	2.8
536.16901	3.6
540.16980	4.9
551.19434	51.2
552.19714	4.7
552.27844	0.8
554.18579	1.7
555.18927	2.0
572.15558	2.8
586.17200	1.3
595.18402	9.1
627.21002	100.0
628.21198	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	627.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85751	3.0
59.01387	84.0
69.43043	15.5
71.01392	11.1
73.02979	3.7
85.02953	4.2
85.06600	3.6
87.00886	9.5
89.02463	10.4
93.03477	12.7
101.02470	5.5
105.01959	3.4
113.02480	4.1
113.98460	3.0
121.02961	5.2
122.03743	4.3
133.02965	10.1
134.03854	2.7
135.04547	5.1
137.02463	3.1
149.02469	24.9
150.03229	57.7
161.02440	10.7
164.04768	3.2
165.05582	73.8
173.04587	12.2
176.04659	3.6
177.01921	7.0
179.03517	16.6
180.04280	5.3
191.05653	15.5
191.07155	3.0
194.05862	14.3
195.06636	100.0
196.06956	3.1
209.08208	40.2
220.68922	2.9
285.04135	19.6
357.13443	48.4
405.15524	24.7
406.67847	3.5
627.15924	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	627.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06416	7.6
59.01388	23.4
61.98842	13.7
66.87969	7.2
69.55500	31.6
89.69919	6.6
101.65050	6.6
122.06104	7.8
123.04559	9.6
135.08139	10.3
136.05351	11.3
180.06734	7.0
195.43556	7.7
213.10345	15.6
241.13373	12.8
269.04013	8.7
279.03891	7.7
285.03986	12.2
285.12598	52.6
297.12613	9.5
322.20984	8.4
447.30981	16.9
583.25464	38.7
627.20795	8.7
627.37683	100.0
647.38446	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	627.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50620	1.1
55.01880	1.5
57.03452	2.7
59.01384	100.0
71.01388	40.8
71.06961	1.2
71.07317	1.3
71.46806	1.6
73.02958	1.6
85.02963	7.2
87.00863	3.8
89.02454	60.3
95.01424	1.6
95.66045	1.0
101.02451	21.5
103.53654	1.1
111.00928	1.3
113.02467	17.3
113.51232	1.2
119.03513	27.3
124.79288	1.2
131.03514	2.9
133.02893	1.6
143.03525	6.6
149.04553	2.2
149.09682	1.2
161.04570	8.4
164.93211	1.3
165.01944	2.5
179.03467	1.9
179.03711	2.0
179.05618	38.1
180.04291	2.3
191.05513	1.7
195.06598	2.6
225.07646	1.5
302.64908	1.2
360.89471	1.3
405.21216	6.5
453.10468	2.8
491.15784	1.5
555.80353	1.5
567.26648	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2971
Annotation	Gambogellic acid
Peak:m/z	Relative Intensity
51.26517	1.5
53.05825	1.5
61.98834	2.4
78.95914	2.8
82.47666	1.4
89.23224	1.4
96.95988	1.6
102.52800	1.7
104.02682	1.9
118.11742	1.6
132.02209	2.0
148.01624	1.9
176.01189	3.0
177.01906	7.6
188.14459	1.9
189.01898	1.9
190.02737	7.5
199.07658	21.8
203.03596	3.4
225.05620	3.3
227.07106	5.2
229.05103	5.7
243.06660	33.4
244.07468	12.0
245.08276	2.0
312.13861	1.9
313.14474	60.3
313.18124	3.2
314.15036	2.6
334.71561	2.1
583.30621	2.0
627.29718	100.0
628.30231	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	627.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72553	15.8
59.01383	100.0
66.86095	16.3
69.45587	76.7
81.86512	17.7
81.94033	19.8
92.24213	17.1
103.18264	16.4
113.94905	18.3
135.75583	16.7
141.01759	44.9
146.73065	19.0
306.75409	18.8
314.34027	19.8
480.11923	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30095	2.9
59.01382	6.4
61.98825	10.2
71.01363	3.4
75.17253	3.1
78.22624	3.3
96.07951	3.3
105.01945	18.6
130.73267	3.0
132.03648	2.9
151.00410	3.4
161.02443	3.4
191.05592	5.6
227.03543	16.6
229.05103	7.1
255.02995	43.0
256.03522	3.9
257.04434	3.9
284.03302	56.5
285.04028	61.7
286.04633	5.4
301.03397	5.2
323.01697	6.0
480.98862	3.3
593.15143	100.0
594.15692	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	629.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84983	1.1
59.01385	25.8
82.65297	1.0
98.21909	3.9
109.02974	1.1
122.03738	1.4
133.02954	1.5
135.04570	2.1
135.18797	1.0
137.02452	1.3
137.34167	1.1
149.02477	8.7
150.03226	9.8
151.00386	3.8
161.02408	5.5
163.00334	1.5
164.04814	2.9
165.05580	13.2
178.99910	1.2
180.04362	1.3
190.05069	2.3
195.06662	11.3
227.03453	2.2
229.05208	1.5
240.39107	1.1
243.03064	2.7
255.02992	5.3
271.02493	31.9
272.02878	1.6
273.99728	1.3
285.04059	2.2
294.12085	1.4
299.02002	58.9
300.02588	4.8
301.03555	49.3
344.12585	3.0
359.15009	19.4
407.17056	13.7
413.02969	1.2
446.08597	21.6
447.09253	15.1
480.12857	1.1
593.15137	100.0
594.15686	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	629.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
62.61491	9.5
69.03454	10.7
71.01400	56.6
76.68745	11.6
77.64304	12.4
84.11807	10.8
89.02441	56.7
93.03506	13.6
95.01419	11.3
101.02443	33.1
113.02457	38.6
119.03511	37.7
129.63655	10.1
131.03629	12.1
137.02434	16.7
161.04576	10.5
179.05608	73.0
191.05542	13.1
197.03004	14.3
213.00877	37.9
214.01530	11.1
267.19461	10.9
270.54639	11.2
275.07813	16.1
293.08853	76.0
317.08743	30.6
377.10971	13.4
400.55890	13.2
427.01797	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	629.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.1
59.01380	8.8
61.91285	0.6
61.98839	8.4
69.03452	1.1
69.18855	4.3
69.30885	0.6
71.01392	4.6
72.99293	0.6
73.02936	2.3
73.56292	0.6
81.03419	0.6
83.01395	0.8
83.04986	0.6
85.02971	3.4
87.00881	6.7
87.04520	10.9
88.98812	2.2
89.02464	2.1
93.03461	1.1
95.05047	1.4
96.95998	2.6
97.02951	1.5
99.04546	1.3
101.02459	2.5
109.02951	0.7
112.98793	1.2
113.02477	1.6
123.04539	66.0
124.04892	1.5
125.02400	0.8
125.06074	1.0
126.90382	1.0
130.99890	1.4
135.04538	3.1
135.08121	0.9
137.09734	6.4
139.07628	1.7
150.03255	0.9
151.11307	1.2
153.05588	64.7
155.10796	36.8
156.11166	0.9
161.02458	0.7
163.11330	1.1
169.12355	2.0
172.01604	0.7
179.03511	3.6
179.10814	3.9
181.08737	3.6
183.68913	0.8
191.05583	1.8
191.10817	2.6
195.10295	2.2
199.09778	20.9
213.11290	1.1
213.86232	0.7
223.09726	1.0
225.11418	0.7
227.03473	0.8
241.10825	6.9
253.10876	1.3
255.12413	3.1
283.11887	8.9
284.03204	1.5
285.04074	2.1
299.05771	1.0
343.14108	8.5
431.22812	2.0
497.20340	100.0
498.20731	5.3
586.39886	0.7
629.21497	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	629.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60951	0.7
59.01386	61.9
60.80247	0.8
61.98831	2.0
63.03327	0.7
71.01396	1.6
73.77218	0.6
85.02953	1.2
89.02492	1.1
93.03468	2.8
112.26788	0.7
121.02980	1.8
122.03741	4.9
133.02940	2.0
135.04524	6.6
136.04834	1.0
149.02452	8.4
150.03236	49.8
151.03636	1.1
161.02428	2.3
164.04813	2.4
165.05583	71.7
166.05885	1.6
179.03458	1.0
180.04298	5.5
181.05078	1.5
190.13760	0.8
191.05632	10.3
192.06007	0.9
195.06639	100.0
196.07191	3.4
210.86870	0.7
211.09714	2.4
227.03542	1.1
255.03032	8.9
256.03488	1.9
257.19116	0.7
283.02530	8.0
284.03149	2.7
285.04034	7.0
286.04321	1.9
299.02017	0.8
353.08682	1.2
359.15051	4.2
407.17139	28.4
408.17490	1.5
431.09723	1.0
432.10239	1.2
433.10934	0.8
447.09229	1.7
480.85651	0.7
593.15350	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	629.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.55658	0.9
61.98831	2.6
63.66808	1.0
69.41388	1.9
69.41785	2.2
71.01373	3.1
73.55567	1.0
85.02955	4.0
89.02464	1.9
93.03466	1.8
95.01422	1.0
96.96023	19.7
101.02460	1.3
109.02970	1.2
110.29822	0.9
113.02478	3.4
121.02953	2.1
122.03761	4.1
131.03772	5.8
132.04124	2.8
133.02951	2.1
135.04518	2.2
136.04912	1.0
146.42447	0.9
148.04088	1.8
149.02461	32.1
149.04323	1.3
150.03233	35.2
151.03606	1.3
154.35612	0.9
161.02437	2.4
164.04836	12.3
165.05574	46.9
174.02008	1.7
175.02681	1.9
179.03477	1.9
180.04208	2.5
181.05063	3.4
189.04286	2.7
190.05112	39.8
191.05508	31.5
193.08766	2.2
195.06636	44.0
196.07281	4.2
211.09843	5.8
217.19212	1.1
251.08800	1.1
255.02924	1.4
272.62698	1.2
275.07642	2.6
276.08096	2.2
285.03925	2.8
293.08624	1.1
301.03485	1.5
313.10770	1.3
326.08148	1.1
339.05032	2.9
344.12701	10.0
352.10294	8.4
353.10770	12.2
359.15012	72.2
360.15427	3.0
389.15958	1.9
407.17145	45.1
408.17316	3.9
449.12411	1.3
497.16776	2.4
531.11365	1.8
592.51147	1.4
629.19293	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	629.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98813	1.8
70.91056	0.7
71.51233	0.7
80.05043	1.0
94.06625	7.0
105.05840	2.0
105.61409	0.6
106.06639	2.9
107.03769	6.3
120.08199	47.4
121.05396	1.2
121.08545	1.9
122.06130	59.4
123.06451	0.8
124.07662	2.7
132.04570	7.0
133.05287	0.9
134.06149	2.4
135.06908	2.9
136.07701	2.1
145.02972	1.2
146.06093	4.0
146.09741	2.0
148.07622	0.9
150.05621	0.9
152.07184	59.6
157.20837	0.6
161.07265	0.7
164.07156	1.6
175.76701	0.6
203.06708	0.6
210.07893	0.7
211.12430	2.1
223.08792	5.0
224.09531	2.2
225.10373	6.9
227.11975	1.1
237.10292	2.9
238.11115	10.4
239.11871	12.2
240.12311	0.7
241.13516	1.8
243.14993	2.0
243.71588	0.7
250.11154	1.0
251.08115	0.7
251.11841	2.4
253.13466	36.2
254.13959	1.8
265.13443	9.2
266.14136	1.6
267.11362	4.8
267.14816	1.1
269.04544	0.9
269.12976	1.2
279.11423	2.8
284.03207	0.7
285.04111	1.0
287.14139	4.0
297.12421	17.5
298.13275	4.2
299.13953	1.1
330.12155	1.8
331.59671	0.9
332.17764	0.8
360.16989	1.1
376.20273	0.9
390.18213	2.9
418.21417	5.7
420.18753	1.2
434.20813	1.8
435.21500	1.2
435.32175	0.7
444.19406	1.5
449.19510	1.6
450.20343	2.5
462.20377	86.7
463.20944	13.3
495.19736	0.8
541.28217	1.0
557.27863	2.1
585.27209	100.0
586.27429	8.3
611.25366	1.2
629.12524	1.4
629.38995	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	629.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47030	3.0
57.03451	4.5
59.01382	92.3
61.98851	14.2
69.14785	16.0
71.01389	62.1
73.02946	16.4
83.01379	5.6
85.02953	12.7
89.02455	83.5
95.34001	2.4
96.96027	3.3
99.00879	15.6
99.08395	2.5
101.02456	42.8
104.01861	2.4
106.49754	2.5
113.02470	14.6
115.04020	2.9
116.92891	3.1
119.03522	13.7
125.02438	7.5
131.03479	12.6
135.04475	2.4
149.04572	60.5
161.04593	3.6
161.42010	2.4
179.05585	3.5
191.05632	11.7
221.06754	3.6
251.07666	6.8
437.25381	4.4
553.98718	2.8
569.29688	100.0
569.38568	5.1
570.29944	6.3
629.38464	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	630.168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61152	0.3
58.41487	0.3
59.01363	0.9
60.99309	15.7
61.98822	1.2
62.55592	0.3
66.66331	0.3
70.78716	0.3
71.01389	0.9
75.87703	0.4
77.70386	0.3
87.00877	0.8
88.00365	0.4
88.98811	100.0
89.02457	1.1
89.99168	0.7
101.02463	0.4
105.01951	2.8
106.02272	0.5
107.50124	0.3
109.02938	0.3
111.02112	0.3
113.02470	0.4
125.02480	0.8
135.04544	0.4
151.67210	0.3
161.04594	0.4
174.05643	0.6
175.04025	0.4
187.29875	0.3
243.06683	0.3
285.04095	0.4
323.09842	1.1
348.63708	0.3
367.76794	0.3
397.84195	0.4
433.16870	0.4
480.14987	0.4
484.89307	0.4
517.57141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.0
69.56119	10.8
71.01360	3.6
79.30855	2.7
81.03429	3.6
83.01388	3.1
85.02988	2.3
89.02437	4.0
93.03486	4.0
95.05028	3.0
96.96016	5.5
97.02948	7.2
109.02959	12.0
121.02955	8.2
123.04524	6.3
125.02416	12.9
134.03748	5.8
135.04543	100.0
137.02446	17.8
149.02408	3.3
149.33499	2.8
151.03993	3.2
165.01895	3.7
167.03491	5.1
179.03505	97.7
200.47179	2.7
203.07256	3.5
245.08150	9.1
275.00107	3.1
289.07205	48.5
299.00070	12.6
300.00790	9.2
313.98743	7.1
314.99710	4.1
317.01254	3.7
326.99713	16.4
328.00500	21.5
339.01331	2.9
341.08826	33.3
341.98752	6.3
342.99066	16.0
345.97894	3.6
355.00153	7.6
355.99939	33.6
359.99677	3.4
361.00281	5.5
451.12524	6.3
493.03351	20.0
494.03122	61.1
531.02747	2.8
531.95502	2.9
571.56183	2.7
631.06635	17.5
631.16309	4.8
631.95782	4.1
632.06262	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.9
58.00599	0.9
59.01380	11.6
60.99307	5.5
61.98830	9.1
67.01900	15.0
69.03473	4.9
69.12809	0.9
69.65697	1.4
69.66092	1.8
71.01384	11.1
73.02946	3.4
81.03455	2.9
82.95418	1.8
83.05029	4.0
85.02959	6.0
87.00884	18.8
89.02450	4.4
93.03465	100.0
94.03796	1.6
96.96022	1.6
97.02940	1.7
99.00871	2.3
99.04527	2.2
101.01327	0.8
101.02458	5.7
105.11980	0.8
109.02936	5.0
110.21386	0.8
111.00826	1.1
111.04534	11.6
113.02476	4.3
115.04021	1.7
119.03552	1.4
125.02467	4.9
127.04026	1.9
129.01955	2.3
133.02946	1.9
134.03758	1.8
135.04543	31.3
137.02472	1.9
143.03481	2.9
143.82185	0.7
144.93376	0.8
145.05074	3.6
150.03204	1.4
155.03535	4.6
159.04500	1.7
161.02438	3.7
161.04576	3.1
173.04562	52.0
179.03511	18.0
179.05527	5.1
191.05617	27.7
201.05573	0.9
208.03775	0.8
221.06546	0.8
235.33397	0.8
244.03079	0.9
267.06735	4.0
269.04541	1.8
285.04102	2.1
318.86801	1.0
353.08710	4.2
367.12384	4.0
454.34274	1.0
457.11285	2.0
631.16626	70.1
632.16882	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	631.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61478	1.4
57.03444	1.7
59.01370	6.4
60.99295	4.5
61.98838	7.3
67.01892	14.8
69.03458	3.6
71.01382	5.8
76.88311	1.5
82.95423	4.9
83.05024	3.7
85.02946	4.3
87.00887	17.5
89.02451	1.8
93.03471	100.0
98.21776	2.1
99.00903	1.6
101.05251	1.4
109.02946	2.1
111.04524	14.8
115.01918	1.5
117.06915	1.4
129.01927	2.2
133.02937	2.6
135.04544	31.5
137.02440	4.0
153.01907	1.6
155.03502	4.3
161.02455	2.6
173.04578	59.9
175.14973	1.6
179.03508	18.4
191.05637	57.5
192.05992	1.9
197.50632	1.3
223.06084	2.6
229.00444	1.7
243.92033	1.8
285.04163	2.7
353.08649	8.4
457.11285	2.1
631.16644	71.9
632.16840	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	631.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.2
59.01384	28.9
61.98833	31.9
71.01377	6.0
72.28117	5.9
81.89226	5.1
83.01418	14.9
89.02483	7.5
95.01401	6.6
96.96030	8.5
97.02972	6.9
109.02958	18.2
118.04243	6.6
121.02975	8.2
122.03752	21.9
123.04570	19.1
125.02449	16.2
127.05148	12.0
135.04556	6.0
137.02443	66.8
145.03036	13.2
151.03989	16.1
161.02499	6.5
162.03230	8.6
164.01118	11.5
165.01939	87.9
174.47223	5.6
176.01236	6.6
179.03502	19.3
187.04068	7.0
189.01976	22.6
190.02693	29.1
203.07130	7.3
204.04190	8.5
204.22440	5.2
205.05075	15.1
215.03503	11.0
217.04974	6.1
242.05919	16.6
245.08211	10.7
247.06221	6.6
252.05925	5.6
257.08200	15.2
269.04538	15.1
285.04117	12.2
285.12494	19.0
288.06375	30.9
289.07187	100.0
341.13858	13.5
421.42606	6.2
442.66965	6.8
479.16800	6.8
521.54962	6.0
587.27783	8.8
613.21033	25.8
631.22168	60.0
631.37872	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96879	2.7
56.88445	2.0
58.32848	1.8
59.01379	7.8
61.98833	31.2
69.94161	3.5
69.94488	4.7
71.01375	2.8
82.95430	7.2
83.01393	6.9
89.02476	3.1
95.05026	3.6
96.96033	12.4
97.02976	6.0
108.02148	3.8
109.02979	15.8
116.92862	3.6
118.04252	5.6
121.02982	12.4
122.03764	20.2
123.00867	3.1
123.04542	17.6
125.02461	11.3
133.02931	6.4
135.04556	8.0
136.01649	3.0
137.02454	59.5
138.03192	3.2
139.04044	4.7
145.02956	10.8
149.02463	7.8
150.03252	11.4
151.04037	10.6
161.02466	10.0
161.06097	4.6
162.03259	9.2
163.04030	2.7
164.01196	16.8
165.01942	100.0
165.05571	10.6
166.02658	2.5
167.03503	7.5
173.12981	2.2
175.04037	3.8
178.35248	2.5
179.03481	19.7
180.04230	2.5
188.04765	5.4
189.01952	24.6
190.02713	24.0
194.05797	3.4
195.06659	10.4
202.06349	3.2
203.07210	9.7
203.28358	2.5
204.04279	11.4
205.05052	15.7
209.08206	6.2
221.08273	3.1
222.01740	3.2
233.04576	5.2
236.03291	5.9
241.05211	2.7
242.05821	11.9
243.06303	2.5
245.08180	13.5
246.44398	2.3
247.06096	4.1
257.08249	17.4
268.03760	2.8
269.04578	61.6
270.04697	3.0
284.03217	6.8
285.04102	24.1
287.09256	4.9
288.06442	39.3
289.07181	81.3
317.10101	3.5
341.13913	16.0
355.11377	4.5
473.11154	4.8
479.17178	9.4
587.22815	7.4
595.14899	2.8
613.20782	25.8
631.21753	65.0
632.22046	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	631.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	24.5
60.36020	1.9
71.05051	1.9
72.26170	1.6
73.02948	5.9
75.00881	100.0
83.27016	2.1
99.00903	13.4
99.92597	4.8
111.81868	1.8
115.04029	3.9
116.03548	3.3
116.07173	2.9
116.92881	43.8
116.96528	1.8
116.97283	7.1
117.01967	47.7
117.05582	14.6
132.58154	2.0
151.98628	1.8
180.00905	1.9
190.31427	1.8
209.44850	1.9
277.21875	2.7
335.43118	1.9
603.54712	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	631.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.7
75.00875	28.1
80.05070	3.4
89.25785	2.6
99.92582	14.8
116.92873	100.0
116.97237	7.1
117.01944	11.6
117.05653	3.6
150.16220	2.8
208.29153	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	631.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57144	8.5
64.40376	9.5
65.18635	9.4
65.88206	8.0
69.55424	25.6
69.55812	19.8
98.21909	12.0
112.34662	8.7
139.29959	8.3
142.79521	11.2
195.26505	10.9
195.37895	10.7
277.21756	100.0
385.39542	11.4
410.53381	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	632.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23609	2.2
59.01373	5.9
61.98817	7.5
65.31382	1.9
69.50262	1.9
71.01394	14.0
71.43501	2.2
72.99317	2.6
85.02952	4.8
85.43409	1.9
87.00809	2.1
89.02442	4.7
93.03416	4.0
96.96021	4.6
98.59087	2.0
113.02496	2.2
115.00378	29.8
118.64877	1.9
119.05047	20.9
122.06110	2.1
133.01448	100.0
135.04570	4.4
137.02452	3.3
142.41214	2.2
163.04002	30.9
172.18271	2.0
178.02896	2.0
179.03549	5.9
191.05583	18.1
192.05934	5.1
209.91252	2.1
255.77136	2.3
279.05231	3.4
285.03995	4.9
311.78244	2.0
335.01862	3.6
511.70258	2.3
639.86517	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	632.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81189	0.2
59.01389	0.5
61.98835	100.0
63.10999	0.2
69.30373	1.3
71.01385	0.3
77.90249	0.2
77.92626	0.2
80.70232	0.2
87.85682	0.2
89.02460	0.3
101.02432	0.3
108.02188	0.2
113.02442	0.3
137.02516	0.4
151.72121	0.2
179.05595	0.5
188.18448	0.2
229.32512	0.2
257.47256	0.2
275.07654	0.3
293.08752	0.6
315.07175	0.4
351.50693	0.2
372.41708	0.3
540.41876	0.3
632.17151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85796	0.2
59.01383	0.6
61.55996	0.2
61.98836	100.0
63.07616	0.2
69.09164	1.1
70.46461	0.2
71.01395	0.2
78.91883	0.2
88.66087	0.2
89.02449	0.2
101.02444	0.2
111.04668	0.2
179.05516	0.2
243.69682	0.2
275.07974	0.5
293.08853	1.1
317.08835	1.1
329.08786	0.2
347.09985	0.4
395.11868	0.3
407.12158	0.3
461.13513	0.2
632.17010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81130	2.6
59.01383	73.6
69.03463	4.7
69.21354	14.4
71.01385	51.7
72.88517	3.3
72.99311	3.2
73.02938	12.7
83.01383	4.6
85.02959	11.6
89.02449	59.5
97.02943	8.7
99.00879	35.0
101.02446	8.3
112.65130	2.8
113.02462	9.7
116.05071	9.9
118.03008	34.6
125.02450	32.0
130.06609	8.0
131.03555	7.8
132.04549	6.2
133.64928	2.7
134.06174	4.7
144.04567	95.6
146.02490	100.0
146.03664	4.9
146.06166	3.3
149.04549	11.2
154.06638	3.4
158.06134	42.8
159.03343	3.8
160.04033	30.3
162.05568	7.1
170.06108	9.9
172.04008	17.4
172.07701	3.9
174.05609	14.5
186.05623	12.3
188.03493	4.0
188.07155	12.3
191.05627	7.5
198.05586	10.3
200.03523	6.9
200.07224	5.6
203.05621	3.7
213.04303	2.8
216.06674	86.9
218.04648	5.1
218.08234	7.7
220.06250	3.7
228.06682	23.7
233.06592	5.5
247.60344	2.8
270.07614	4.1
275.07767	3.0
293.08759	9.8
320.07831	3.9
335.09921	3.9
348.10913	99.2
348.15204	5.5
349.11127	6.5
350.08655	17.2
366.11816	3.3
420.12234	3.2
422.10855	2.7
425.12949	26.6
438.14151	7.9
440.11832	9.3
570.18219	29.0
572.16266	90.0
573.16333	5.0
614.17212	32.5
615.16931	3.4
632.18280	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	58.9
69.03437	2.1
69.16985	7.2
69.17396	4.2
71.01386	42.4
72.99291	1.9
73.02950	7.6
81.03475	2.7
83.01380	2.4
85.02952	8.5
89.02451	52.5
92.05099	2.9
95.01375	2.3
97.02921	5.7
99.00880	29.4
101.02445	8.9
109.02962	1.8
113.02425	6.9
116.05063	5.8
118.02992	30.0
125.02446	25.1
130.06631	6.8
131.03575	8.5
132.04514	4.1
134.06142	3.4
142.06606	2.6
144.04561	78.1
145.04933	2.2
146.02489	100.0
146.06104	2.4
149.04535	8.7
154.06627	5.2
156.04637	2.5
158.06129	39.5
159.03206	2.5
160.04059	30.7
162.05592	3.0
170.06110	9.3
172.04095	15.8
172.07663	4.1
174.05605	13.4
186.05608	10.1
188.03520	3.0
188.07201	14.5
191.05586	8.9
198.05565	8.1
200.03561	11.0
200.07129	5.8
203.05542	2.9
210.05582	3.6
216.06668	73.8
218.04593	8.5
218.08197	7.8
220.06036	2.4
224.07150	2.7
228.06685	17.0
230.04552	5.6
233.06712	3.5
270.07614	3.2
293.08789	4.0
320.07578	3.0
335.09680	3.6
348.10867	86.9
349.11105	2.5
350.08801	19.3
425.13177	22.5
438.13974	7.1
440.11908	10.5
554.15179	2.3
570.18481	24.8
572.16248	97.9
573.16718	6.4
573.37311	2.7
588.19177	2.7
614.17334	13.4
632.18243	46.5
633.18225	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	632.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39303	0.2
61.98835	100.0
69.17654	0.8
69.18062	0.3
71.01382	0.3
91.66204	0.2
101.02482	0.2
113.94417	0.2
130.08781	0.4
178.18990	0.2
462.31299	0.2
632.39551	0.8
661.28693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.0
71.01380	18.2
75.00876	4.1
77.36971	3.0
85.02966	11.3
87.00896	12.9
93.03469	11.6
98.21910	8.5
105.01951	11.4
105.03468	6.7
105.08070	3.5
109.02982	28.5
115.00373	10.9
119.05047	55.5
121.02970	5.4
133.01469	25.0
133.02983	41.8
135.04567	29.4
137.02481	3.6
145.02951	5.4
147.03030	5.3
147.04538	20.6
159.04529	12.6
161.02464	10.4
163.02715	6.4
163.04031	97.8
165.04068	54.2
173.04570	7.0
177.01923	12.0
179.03479	15.6
185.02554	3.2
191.05643	100.0
192.05971	4.0
203.03552	11.8
215.05698	8.4
229.01460	9.2
267.06625	5.6
269.08246	17.7
277.05014	8.6
279.05270	6.2
295.06073	13.0
313.07205	7.4
321.04001	6.6
327.07172	8.5
339.05121	24.6
340.05457	3.7
351.07108	9.8
353.08728	8.5
402.46091	3.9
425.17374	3.8
441.08252	10.5
467.09991	7.0
633.14771	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	633.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.8
69.32379	10.1
69.55652	2.3
72.30789	1.9
95.05007	3.7
105.15675	1.9
105.92053	1.8
109.02948	10.8
109.06617	2.4
119.05064	4.1
121.02972	7.5
122.03760	2.8
123.04504	5.8
125.02457	9.3
132.47232	2.2
135.04535	5.1
137.02440	5.4
137.06100	35.0
151.04053	7.9
163.04079	2.3
179.03529	4.3
181.05081	100.0
182.05513	3.1
187.04001	2.6
203.07126	4.0
205.04970	2.8
243.88452	2.2
245.08205	7.4
289.07184	42.2
343.10303	32.6
382.89655	2.3
633.06653	6.1
651.25830	2.4
661.42352	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	633.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03459	1.0
57.21298	0.5
59.01384	8.5
62.06276	0.4
64.83012	0.4
69.03467	4.0
71.01392	5.5
72.74757	0.4
72.99303	2.3
73.02940	2.0
75.00880	0.7
83.01377	0.6
85.02952	2.5
86.03763	0.5
86.39522	0.5
87.00884	9.4
87.04539	1.3
89.02462	2.0
95.05036	0.5
97.02930	0.6
98.21845	0.9
101.02433	2.8
103.00378	1.1
108.06353	0.4
109.06615	0.6
111.83421	0.5
112.98780	0.8
113.02457	5.7
116.92886	0.5
119.03534	1.0
119.83212	0.5
121.40259	0.5
130.99895	0.9
131.03497	4.2
133.05063	0.8
149.00931	11.4
163.11295	1.6
177.12878	0.5
181.12361	12.7
195.13911	5.1
207.10211	0.6
219.13560	0.5
223.13326	3.1
225.11349	14.0
227.51961	0.5
267.12491	2.9
275.07602	0.9
293.08768	2.1
327.14554	0.8
457.20605	1.3
483.18732	1.9
501.19818	100.0
502.20126	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	633.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.1
65.00301	0.4
69.48249	1.4
69.53333	0.3
71.01387	0.8
77.03975	3.4
82.95414	2.4
84.37908	0.3
89.02452	0.4
89.03996	1.7
93.03461	0.6
95.05042	7.6
96.96023	0.8
98.21873	0.3
101.02460	0.5
105.03469	23.6
109.02956	0.4
115.00385	0.5
121.02979	0.6
123.04551	2.5
127.28542	0.3
132.02185	1.0
133.02972	100.0
134.03305	2.2
135.04536	2.1
151.04022	0.8
161.02473	0.8
165.04120	0.4
177.01949	45.7
178.02286	1.0
179.03452	1.1
191.05634	1.2
215.90482	0.3
333.04694	0.4
443.11914	0.5
553.12579	0.8
594.69592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01402	0.4
61.98831	0.8
69.87749	1.2
69.96804	0.3
118.04259	6.6
121.06581	0.5
134.03766	1.7
145.02896	0.7
161.02377	0.5
162.03246	6.7
173.02370	0.5
177.02013	0.4
189.01904	2.6
190.02730	26.3
191.03096	0.9
198.06837	0.5
199.07674	1.7
203.03413	0.9
204.04292	0.9
215.07167	0.7
222.01704	8.5
229.05110	0.6
230.05910	1.9
236.03059	0.6
243.06625	19.9
244.07230	1.4
245.08310	0.6
253.12468	0.5
256.07358	0.8
269.08218	0.8
281.08209	0.9
283.09903	2.0
295.09860	0.4
298.12112	12.0
299.12503	0.7
313.14508	6.9
324.10193	0.8
325.10757	0.6
339.12390	3.2
342.11111	1.0
357.13455	100.0
358.13757	3.7
409.99786	0.4
633.19519	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	633.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39146	1.0
59.01381	2.0
61.98812	1.7
63.11973	1.1
70.93628	1.3
72.04545	1.3
80.24548	1.1
80.36809	1.0
90.28315	1.0
93.09995	1.0
105.71518	1.1
109.04099	5.1
125.09788	1.3
127.05145	21.4
128.03560	6.8
142.12370	1.2
145.06180	8.9
150.06873	12.4
162.06879	40.4
163.07721	7.4
164.08376	1.7
176.08473	3.5
177.09224	16.5
179.10768	3.4
237.16069	4.3
242.62294	1.1
363.05695	1.1
434.14154	1.6
437.26282	2.4
455.27356	6.8
465.80246	1.2
615.36530	8.0
616.37329	1.4
633.37604	100.0
634.37524	5.2
656.45795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.8
68.86092	0.4
69.44252	1.7
69.44617	0.6
69.95026	0.3
152.80406	0.4
165.12862	0.4
183.13913	31.8
184.14203	0.5
262.11526	0.4
279.23288	5.1
297.24365	100.0
298.24704	4.2
313.14532	0.5
633.44757	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	635.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
65.00323	2.1
67.01910	1.1
68.99820	1.5
71.41739	0.7
79.05525	0.9
81.03489	0.6
82.95435	0.9
83.01395	6.8
88.35570	0.7
101.02470	0.8
107.01382	1.9
108.02233	1.2
109.02965	3.5
115.54792	0.7
123.04532	16.2
123.55024	0.7
124.04903	0.6
125.02467	6.5
135.04463	0.7
137.02449	1.7
151.00391	9.7
151.04034	3.7
152.01196	0.7
153.01950	100.0
154.02280	2.3
154.61832	0.6
155.02344	0.7
161.02441	1.4
167.03517	2.5
179.03416	0.8
198.44373	0.6
217.68245	0.7
222.85434	0.8
239.25233	0.7
285.48239	0.6
305.06613	0.8
329.08847	8.8
359.10016	0.6
464.13495	0.7
520.54633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98977	0.6
55.49934	0.5
59.01391	1.0
61.98833	1.0
65.00323	0.8
78.02363	0.6
107.01423	0.6
109.02992	1.3
116.92849	0.8
121.02967	0.8
133.02954	1.4
151.00392	5.4
159.04547	1.0
161.02477	0.8
163.00412	1.0
165.01991	1.2
167.04906	0.6
171.04581	0.9
175.03931	0.7
178.99863	1.1
180.04402	0.6
183.04637	0.6
187.04099	1.4
199.04036	3.5
201.01970	1.1
201.05725	0.8
211.03996	1.6
215.03561	2.3
226.02640	1.2
227.03476	4.1
229.05070	1.4
243.02977	3.6
254.02359	0.8
255.02905	5.5
257.04675	1.0
271.02496	56.4
272.02957	2.1
273.04065	1.1
284.03241	0.8
285.04086	1.0
299.01996	100.0
300.02661	10.3
301.03555	53.1
302.03946	1.4
373.40182	0.7
446.08554	31.1
447.09296	20.0
448.09714	1.6
489.10471	10.4
510.29010	0.6
593.14966	2.2
635.16229	84.8
636.16608	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	635.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
60.26012	0.3
61.98859	0.3
63.02419	0.5
65.00344	0.6
67.29582	0.4
68.26328	0.3
83.01408	0.9
91.16621	0.3
93.03470	0.3
96.22816	0.3
96.96017	0.3
98.22667	1.1
100.22430	0.3
107.01418	1.7
108.02158	0.3
109.02988	1.4
121.02989	0.6
125.02552	0.4
133.03012	0.5
135.00894	0.5
143.05032	0.6
149.02414	0.5
151.00372	5.3
153.01956	0.4
159.04526	0.8
161.02376	0.4
163.00385	1.5
163.49123	0.3
165.01933	1.0
167.04976	0.4
171.04521	1.0
175.00301	0.4
175.04016	1.0
178.99872	1.1
183.04518	0.8
185.06075	0.9
187.03915	0.8
189.01979	0.4
192.00661	0.5
198.03284	0.4
199.04028	3.9
201.01999	1.1
201.05608	0.8
203.03415	0.7
211.03993	1.6
213.01929	0.8
214.02592	0.4
215.03569	2.3
226.02673	1.2
227.03525	3.8
229.05069	2.0
230.02299	0.3
242.02170	0.4
243.03009	5.0
243.05800	0.4
243.06564	0.5
245.04556	0.6
254.02235	0.5
255.02983	5.0
256.03714	0.8
257.04688	0.8
271.02499	58.5
272.02850	2.1
273.03946	0.9
282.01889	0.4
283.02231	0.4
285.04120	0.6
299.01984	100.0
300.02655	10.8
301.03552	48.2
302.03830	1.9
325.05414	0.5
343.04535	0.4
446.08554	28.6
447.09332	17.1
448.09515	0.6
489.10437	8.9
490.10583	0.4
515.83691	0.4
519.43988	0.4
593.15106	2.0
635.16223	71.3
636.16595	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	635.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79857	0.6
54.44547	0.6
54.54189	0.6
57.03427	0.7
59.01384	37.9
69.03453	3.7
69.36738	2.4
71.01382	18.8
72.99298	0.9
73.02956	1.0
73.18388	0.6
75.00851	0.9
78.02110	0.6
80.74022	0.6
83.01382	1.5
85.02956	4.2
87.00887	5.8
87.04531	1.3
89.02448	19.4
95.01394	1.1
101.02447	13.2
113.02452	16.6
116.98679	0.6
119.03511	7.8
131.03525	4.6
133.05080	2.3
143.03479	1.2
161.04607	1.2
179.05611	3.9
184.78624	0.6
197.04601	0.6
290.86197	0.6
293.08804	100.0
294.09198	2.7
341.10953	4.6
343.39954	0.6
434.44672	0.8
487.95401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70283	0.6
57.03439	0.8
59.01382	31.2
69.03443	3.5
71.01389	13.6
72.93292	0.6
73.02932	1.5
73.70614	0.5
75.00892	4.2
83.01378	0.9
85.02967	3.5
87.00886	3.3
87.04520	0.8
89.02454	15.5
95.01405	0.7
99.00909	0.7
101.02459	8.5
105.01968	0.6
113.02459	12.6
119.03516	6.1
120.20116	0.6
123.00838	0.9
131.03494	3.3
133.05083	1.4
138.03271	0.9
161.04588	1.1
166.99881	0.6
177.70493	0.6
179.05615	14.3
179.70786	0.6
182.02211	0.7
197.04506	4.0
275.07590	0.6
293.08804	100.0
294.09079	3.4
336.92725	0.7
346.41794	0.6
359.09653	1.2
386.93481	0.6
422.23428	0.7
643.64136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19492	0.3
57.03443	2.1
59.01369	1.4
61.98822	1.0
67.39083	0.3
69.07459	1.3
69.07892	1.0
71.01367	0.7
71.38966	0.3
78.95895	0.3
82.95398	0.7
85.02955	0.4
89.33958	0.3
99.04519	0.4
99.21280	0.3
101.02425	0.6
108.00753	0.4
109.02968	0.3
114.47751	0.4
116.92891	0.4
117.03458	0.4
118.04251	1.2
125.02480	0.5
132.02191	1.3
134.03798	0.5
135.04515	0.4
145.02879	0.4
149.02426	0.3
159.04596	0.4
161.02449	1.1
162.03217	2.6
177.01933	0.9
179.03497	0.4
185.06105	0.9
189.01979	0.6
190.02730	8.5
192.25914	0.4
193.05046	0.5
199.07643	5.0
201.01930	0.5
201.11301	0.6
203.03485	1.9
222.01721	1.4
225.05586	0.4
227.07159	0.9
229.05074	3.1
230.05867	2.7
243.06627	7.1
244.07321	2.0
245.08170	0.6
257.08163	0.9
269.04529	3.3
311.22217	0.6
329.13947	100.0
330.14328	4.4
359.11227	0.6
363.49182	0.4
367.27783	0.3
374.05112	0.3
386.75232	0.4
474.05389	0.4
491.12192	0.4
491.19318	7.1
491.28244	2.4
492.19589	0.4
533.20398	1.5
533.28571	1.5
573.32526	0.4
635.22888	1.1
635.33295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.8
59.01379	9.1
61.98837	11.4
70.40904	2.1
70.96297	3.5
71.01384	2.4
73.02998	2.5
81.51428	1.9
82.95426	3.1
85.02956	3.0
96.95979	3.4
101.02480	2.3
112.98824	2.3
113.02486	2.7
117.03485	2.2
118.04237	4.7
119.04955	3.0
133.02916	3.9
134.03740	12.8
137.02490	2.3
145.57155	2.0
151.04008	2.5
151.79916	2.4
155.15993	2.1
162.03207	3.8
176.01180	3.9
177.01926	5.2
178.02684	6.8
179.10728	4.4
185.06114	5.5
189.01958	3.0
190.02760	27.2
193.05060	24.5
199.07671	21.8
203.03499	5.2
222.01764	4.3
229.05122	10.4
230.05820	9.4
243.06615	26.9
244.07401	7.2
249.07622	3.6
269.04623	14.1
308.70908	2.8
311.12784	4.7
313.14465	53.6
329.13956	58.6
402.10535	2.7
411.12863	8.8
473.18213	3.0
491.19284	100.0
492.20035	3.8
533.20435	51.7
533.28369	2.8
534.20673	2.8
573.23291	13.6
635.23639	58.4
636.24518	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	635.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	7.2
58.61634	2.3
59.01387	11.7
61.12595	1.9
61.64380	2.1
69.03497	2.0
70.02969	4.2
70.11866	5.4
71.01366	7.9
72.67777	2.1
72.80758	2.3
73.02934	2.4
74.02480	40.9
82.12280	2.2
83.01433	2.6
83.05026	2.9
85.02971	16.8
85.06612	3.3
86.03247	2.3
87.00883	3.8
89.02413	2.4
93.03472	2.8
96.04536	13.6
96.35399	2.6
96.96009	3.9
98.02480	7.4
98.03148	2.2
99.00876	3.6
101.02437	4.6
105.59351	2.0
109.02985	3.3
111.04601	2.3
115.00356	2.1
116.03542	7.8
116.05097	13.5
125.02464	2.8
129.01973	2.4
133.02922	5.1
135.04532	8.9
137.02420	6.8
142.06648	4.4
142.31699	2.5
145.93213	2.3
147.04495	2.7
150.03288	3.5
159.09299	3.1
161.02432	7.9
165.05559	6.7
175.04077	2.6
177.01949	3.6
179.03511	4.4
191.05582	2.8
193.04968	2.5
195.06688	4.7
201.04088	2.8
201.10422	2.8
203.08340	38.4
245.09326	100.0
246.09653	2.4
275.07797	3.0
289.07358	3.0
327.13898	2.4
391.14011	2.5
473.16614	9.3
635.24347	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	635.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47850	3.0
61.98813	4.4
68.17947	3.8
70.25761	6.6
89.55585	3.8
98.21988	5.2
102.39101	3.2
111.00881	3.9
123.00895	8.4
129.01953	5.2
136.01686	4.3
137.02457	7.4
148.01675	6.7
161.02496	4.5
162.03291	3.5
172.01714	4.2
175.03986	7.3
176.04779	3.4
177.01949	3.6
177.05630	3.9
179.03519	5.7
189.01970	13.7
190.02702	14.1
191.03497	7.5
191.78722	3.3
200.01131	4.0
203.03499	9.7
204.04359	5.9
207.03014	5.3
215.07135	3.9
218.05887	5.8
219.02989	5.4
222.05313	5.1
228.00702	15.5
229.05032	6.5
230.02042	4.0
243.02975	27.0
247.02501	6.3
262.04776	11.8
267.06625	5.6
269.08228	30.5
275.05606	9.2
275.12878	14.5
276.13617	11.5
279.02991	5.1
285.03918	6.9
290.15326	16.6
291.16055	4.2
303.15955	11.6
311.12860	14.0
313.10742	9.1
321.04059	7.4
328.13153	40.4
343.15494	100.0
395.08218	4.2
399.14572	21.0
414.16888	21.4
423.14349	7.8
427.17490	13.6
436.18735	6.5
438.16959	5.9
439.17496	4.5
453.19263	9.2
460.15494	7.1
475.17563	10.3
479.17307	4.2
492.17395	7.3
519.16730	23.4
534.18964	87.5
548.20618	6.6
551.19275	21.1
566.21613	45.9
603.25885	9.8
635.28479	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	635.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44727	5.4
61.12086	5.8
61.79321	5.5
61.98839	13.0
65.13544	5.9
70.55434	12.5
73.32860	6.8
106.80790	5.2
112.22145	5.8
123.00943	9.3
129.01924	9.0
148.01665	6.1
149.02390	7.8
158.47882	6.2
162.07181	5.3
175.04002	15.6
176.01164	9.4
179.03592	9.3
189.02007	9.5
190.02711	11.3
191.03470	9.0
198.73582	5.2
200.01064	10.2
203.03549	15.0
207.03035	10.1
211.53375	7.2
219.02994	9.4
228.00726	13.1
243.03004	25.0
243.06662	79.1
247.02426	7.9
257.08322	7.5
262.04938	11.7
270.01709	7.5
275.05481	9.8
275.12897	10.0
276.13864	8.4
285.04053	17.2
290.15347	13.1
291.16193	12.5
300.06357	12.2
303.15997	12.1
311.13159	13.4
328.13312	44.9
343.15463	100.0
368.67685	6.0
399.14368	12.3
402.16754	12.1
407.07440	9.3
414.16861	23.4
423.14722	12.6
427.17639	13.4
436.18958	11.3
438.16806	9.1
449.11914	8.2
453.19098	14.2
460.15546	8.8
472.35114	8.7
492.17841	10.3
519.16589	33.6
522.22845	7.3
534.19092	97.7
548.20898	8.6
551.19214	22.1
566.21686	47.7
603.26270	13.5
635.28784	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	635.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92324	1.2
55.01879	1.6
57.03455	1.9
58.00600	1.3
59.01385	100.0
63.58313	1.0
69.03449	2.2
71.01387	58.5
72.99329	1.2
73.02955	18.3
75.00882	1.3
83.01413	2.7
85.02975	8.5
87.00886	3.6
89.02454	96.9
93.03472	2.7
95.01398	1.5
96.96027	5.8
97.02964	1.7
99.00894	13.2
101.02457	44.1
102.56247	1.0
104.88299	1.2
106.06664	1.9
111.00901	1.4
112.01691	1.8
113.02461	15.3
118.21028	1.1
119.03522	6.8
119.76762	1.0
121.02931	1.3
125.02448	3.6
127.04041	1.1
131.03523	25.1
132.04578	18.8
133.02979	2.7
134.03839	1.1
134.06136	18.5
135.04552	9.6
136.04045	1.1
137.02478	2.4
143.03490	3.8
146.06148	2.4
148.07713	2.4
149.04568	83.4
150.03122	1.3
152.07184	2.9
158.06151	1.3
160.07764	1.5
161.02455	8.9
161.04503	5.1
176.01163	1.9
176.07243	5.6
179.03496	5.4
179.05589	1.6
186.05511	2.3
191.05626	20.6
192.06641	1.2
195.06677	2.2
200.63222	1.2
204.06682	12.8
206.08238	3.5
209.06178	1.5
216.06647	1.7
221.06662	3.8
228.39967	1.0
245.15404	1.1
251.07785	6.4
255.03104	1.5
267.06934	1.1
275.07822	7.0
279.11417	7.9
285.03989	6.7
293.08896	2.9
311.09824	5.0
314.12338	1.4
323.07700	1.3
323.14020	2.0
351.13519	5.4
359.17020	2.8
398.38712	1.1
447.09464	2.6
474.14059	2.5
501.19077	2.7
502.40475	1.2
503.12924	1.9
503.20090	10.1
504.20197	1.7
515.20355	4.3
519.19788	8.3
531.19861	33.1
532.20288	3.4
533.21515	12.1
534.21686	1.9
543.19312	1.3
545.26477	24.4
546.26556	2.6
555.19940	1.8
557.26025	4.2
561.20953	2.0
567.57452	1.3
573.21112	4.1
591.22284	5.3
599.27106	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	635.526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07993	4.3
63.50833	4.3
71.40355	6.3
73.04089	3.9
82.93351	4.3
103.31770	4.5
122.12129	4.1
161.74089	4.2
231.37030	4.4
242.28220	3.7
279.23282	100.0
280.23557	4.4
312.98718	4.3
357.08759	4.4
453.33420	7.0
467.18750	3.9
534.18964	5.7
536.48962	4.9
635.24811	21.6
636.25500	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	636.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.2
71.01395	4.6
73.02937	1.3
77.07454	0.6
85.02959	1.8
89.02460	2.7
93.03484	1.3
101.02460	2.8
104.78623	0.7
106.04189	1.1
107.05023	1.5
109.02974	2.1
113.02436	1.3
119.03503	1.1
121.02979	1.0
123.04602	0.7
131.03790	14.1
132.02158	1.1
132.04576	6.4
133.02968	20.4
134.03757	19.2
135.04541	63.8
136.04872	2.2
137.02487	4.4
139.04065	1.3
149.04594	1.0
160.04027	10.0
161.02463	38.3
162.02811	1.0
173.04486	1.5
175.03960	0.7
177.01894	1.0
177.05681	0.9
178.02762	3.7
179.03517	51.4
180.03877	1.8
191.05557	3.1
203.03563	0.8
209.13510	0.7
223.07654	4.0
225.05623	0.9
227.03496	0.9
241.08809	2.0
242.60382	0.6
250.08798	5.0
255.03081	1.2
281.06784	0.8
284.03107	1.3
285.03952	2.9
286.04657	0.8
294.07755	0.7
303.81042	0.7
323.07666	2.3
327.12244	0.8
447.09201	1.4
456.12891	1.0
474.14090	100.0
475.14206	6.7
575.24341	0.7
636.19275	3.5
637.22699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03728	0.7
54.28838	0.6
58.66935	0.7
59.01385	5.6
66.37664	0.7
69.61429	0.7
71.01394	3.9
73.02949	0.8
85.02942	1.9
88.65590	0.7
89.02455	2.1
93.03497	0.7
101.02479	1.4
107.05024	1.2
108.02171	0.8
109.02965	1.7
113.02456	2.1
119.03516	1.5
121.02987	1.2
131.03796	10.8
132.04567	6.9
133.02971	17.3
134.03777	15.1
135.04541	57.1
136.04881	2.0
137.02419	4.2
139.04021	1.4
147.04478	0.7
152.22125	0.7
158.02455	1.2
160.02684	1.2
160.04037	11.7
161.02466	38.2
162.02759	1.4
173.04547	0.8
175.03960	1.0
177.05678	1.1
178.02734	3.6
178.19611	0.8
179.03513	53.8
180.03882	1.8
182.25690	0.6
183.84122	0.7
191.05658	3.1
192.05901	0.9
221.04463	1.2
223.07645	3.4
241.08757	1.8
250.08749	5.6
255.03072	1.6
267.06601	0.9
282.09125	0.9
284.03406	1.0
285.01120	0.7
285.03918	3.9
286.04431	0.9
294.07642	0.9
297.07938	0.8
297.11163	1.3
323.07559	2.7
341.08792	1.2
345.13641	0.9
375.14706	1.2
381.21930	0.7
447.09393	2.1
474.14090	100.0
475.14078	5.5
636.19568	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	636.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33719	0.9
58.02977	11.6
59.01386	3.1
59.46561	1.0
61.98830	1.2
70.02979	5.7
71.41281	1.7
72.00913	3.1
83.89835	1.4
91.05525	9.7
96.96026	2.9
100.03020	1.2
101.81796	1.1
116.92892	1.2
120.01250	1.2
125.02525	2.6
125.87416	1.0
130.18573	1.0
134.06079	1.3
135.04521	1.2
137.02452	1.5
147.04532	22.0
149.02432	2.1
150.03223	4.6
151.03696	1.6
161.02428	2.7
164.07170	53.6
165.01961	6.9
165.05577	7.2
166.02328	2.1
166.05885	1.7
175.03923	1.4
180.04315	5.2
181.04745	1.1
195.06635	12.2
196.06955	5.1
206.08221	100.0
207.08583	1.9
243.08807	1.8
308.00290	1.3
449.68088	1.2
636.21344	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	636.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64963	0.7
59.01384	100.0
62.62492	0.8
71.42248	0.9
75.19990	0.8
78.21256	1.0
78.95918	1.7
141.01714	72.2
156.51920	0.8
204.87379	0.8
255.23364	3.9
480.30997	2.9
576.06757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51159	0.5
54.84605	0.5
59.01360	0.8
61.98801	1.2
69.74260	2.5
90.80401	0.6
101.44314	0.7
114.82883	0.7
125.02496	0.9
132.02072	0.6
149.02483	0.6
151.00386	2.2
161.02467	1.0
163.55554	0.6
167.26353	0.7
169.93604	0.7
198.22929	0.5
227.03540	1.5
255.02992	34.7
256.03763	23.7
281.04568	1.0
283.02496	22.2
284.03275	62.2
285.04004	10.2
298.04752	1.1
299.05679	0.8
309.04041	2.3
342.34567	0.7
445.05771	0.8
446.08728	1.8
475.10361	100.0
476.10641	3.4
490.89157	0.6
532.80920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78639	1.3
59.01363	2.8
61.98830	11.8
71.01408	1.3
73.15353	1.1
75.00865	1.7
90.21938	1.2
105.01919	7.8
109.02924	1.5
118.04254	5.0
123.04523	1.9
125.02423	3.2
134.03734	1.4
135.04491	2.0
137.02498	2.3
145.02943	1.9
149.02393	1.7
162.03207	5.6
162.83972	2.1
176.01175	1.7
177.01874	1.9
179.03619	1.8
181.04994	2.0
185.05893	1.9
189.01807	2.4
190.02705	20.1
199.07666	13.6
203.03465	3.4
211.07664	1.5
222.01659	3.1
227.07123	2.0
229.05037	5.3
230.05782	4.2
243.06584	15.4
244.07349	6.2
267.06680	3.1
269.04581	13.9
276.32819	1.4
299.12891	36.1
300.13226	1.5
325.10947	6.9
331.15497	1.4
343.11865	100.0
344.12149	4.6
385.13022	1.5
427.71454	1.4
603.21930	1.3
637.21344	62.3
638.21741	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	637.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03441	1.5
58.00600	0.7
59.01385	7.7
61.98811	0.4
69.03464	4.0
69.13036	0.9
69.13443	1.4
71.01390	6.5
71.05026	0.6
72.99285	0.4
73.02953	3.6
74.02467	0.6
75.00880	0.9
75.99009	0.3
81.03469	0.7
83.01407	0.5
83.05045	0.6
85.02962	3.2
87.00889	3.1
87.04527	6.0
88.98799	1.7
89.02464	3.0
92.99217	0.4
95.01383	0.5
97.02944	0.7
97.06591	0.3
99.00876	0.7
99.04514	0.6
101.02457	4.7
105.79234	0.4
109.02937	0.6
111.04527	1.2
112.98896	0.4
113.02463	10.1
115.03978	1.8
116.92848	0.8
119.03517	0.9
123.04564	0.5
125.02476	0.8
130.02762	0.6
131.03525	4.6
133.02974	2.2
133.05048	0.7
134.03770	0.9
135.04538	4.5
135.08182	1.1
135.11755	0.4
136.04829	0.9
137.02489	0.7
137.09727	8.4
139.11292	1.0
147.04471	0.4
151.11346	0.5
155.03510	0.4
155.10791	47.0
156.11118	0.6
160.04086	0.6
161.02451	3.6
161.04517	0.9
162.02826	0.6
165.05576	0.4
167.10818	0.7
169.12370	2.5
177.02078	0.5
179.03503	4.1
179.10782	1.1
180.03854	1.0
181.08723	2.7
191.05595	0.5
195.10332	0.6
197.11861	0.9
199.09778	26.6
200.10251	0.8
201.19211	0.3
213.11369	2.0
225.11287	0.5
241.10834	11.6
255.12460	1.1
271.12045	0.6
275.07727	2.4
283.11890	0.8
285.04160	0.8
293.08878	1.7
301.12970	0.9
312.54147	0.4
327.12540	0.6
343.21313	0.6
361.15039	1.1
455.18893	0.7
457.17334	2.1
474.14249	0.9
475.18344	100.0
476.18713	4.6
499.18460	1.2
505.27252	2.9
506.29843	1.3
517.19324	8.4
518.20068	0.5
577.21625	2.7
637.23309	3.6
637.32483	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	637.2671
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
61.98842	3.6
62.35278	2.2
63.18368	2.3
77.68095	2.4
96.95997	4.6
116.92843	3.6
121.39616	2.5
152.79160	2.6
153.17038	3.0
195.85852	2.4
326.74722	2.7
433.16727	6.5
434.17410	6.8
447.18134	7.8
448.19266	12.3
449.20047	2.9
462.20358	10.7
463.21524	4.2
493.18777	3.8
499.18307	2.7
506.19662	3.3
507.20612	3.3
521.22083	22.5
535.19330	2.9
548.53015	2.5
550.22156	3.5
551.23004	6.7
555.28326	2.8
593.24799	3.3
605.25549	2.9
608.26361	18.2
609.27039	3.6
622.24603	3.7
637.26636	100.0
638.26959	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	637.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35815	7.2
50.36055	7.3
59.01394	45.0
59.01660	7.2
61.98815	13.7
65.20045	7.1
71.01378	35.1
76.70811	7.9
80.96510	15.3
89.02451	48.1
98.22624	17.0
101.02465	19.5
113.02444	20.1
119.03497	22.7
127.33357	8.2
154.58698	9.1
161.04585	14.0
161.43350	7.4
171.91920	8.4
179.05560	21.6
215.03293	13.1
225.00653	11.1
277.21713	100.0
323.09796	30.0
341.10931	74.8
389.90622	8.4
442.77884	8.8
577.26770	26.9
601.32660	23.8
637.29480	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	637.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	49.9
60.38712	11.2
61.98832	55.5
62.39190	10.5
63.79456	11.2
64.14177	14.0
64.57537	10.4
71.01399	35.8
71.43457	14.2
71.93388	11.9
73.02970	16.0
77.15457	10.7
87.00903	53.8
89.02471	21.7
101.02457	17.3
113.02471	17.5
113.41671	12.5
134.31635	12.8
271.29816	13.1
277.21680	85.7
291.23309	16.6
319.22833	13.1
323.09848	39.5
328.11322	12.4
341.11020	100.0
601.32562	33.2
637.29913	24.8
638.51245	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	637.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71512	2.1
59.01385	100.0
62.14547	2.4
69.47300	7.7
71.01387	51.5
71.05016	4.0
73.02959	4.7
78.79933	2.3
85.02965	8.5
87.00896	4.8
89.02454	71.5
91.98142	2.5
93.44079	2.4
95.01357	2.4
101.02446	34.1
113.02463	21.3
115.04031	25.5
119.03517	33.9
121.02998	2.7
131.03520	4.4
133.02963	10.5
135.04568	4.8
143.03522	7.5
149.02458	3.1
150.03189	6.5
161.02473	6.4
161.04582	7.2
165.05554	7.4
177.01941	5.9
179.03694	3.2
179.03946	3.6
179.05638	29.7
181.35252	2.2
191.05676	2.5
195.06793	2.2
255.06802	3.1
285.04111	5.1
358.34442	2.9
359.46167	2.7
415.23642	2.5
474.77350	2.5
491.19455	4.7
538.57593	3.1
562.05188	2.8
574.85175	2.9
577.20190	5.3
577.28412	19.4
653.66095	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	637.388
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	21.2
69.56254	42.9
78.95901	10.3
86.93864	8.8
96.96015	22.8
98.21871	19.9
98.84209	8.9
112.52640	9.1
117.92891	10.5
121.54333	10.1
392.31976	9.2
637.38818	100.0
662.83337	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	637.4184
Annotation	Sporidesmolide I
Peak:m/z	Relative Intensity
53.63866	2.5
61.28891	2.2
69.19255	9.5
69.19653	4.3
71.05039	4.1
92.74401	2.5
92.92831	6.6
97.67011	2.7
98.21881	5.1
116.07198	38.3
129.10374	7.0
129.11328	2.3
130.08716	3.6
141.73810	2.5
144.10315	24.6
153.10335	3.0
156.05173	2.8
182.10635	11.2
194.11931	3.0
198.11353	3.2
209.09171	2.8
210.15074	5.0
225.16081	64.2
229.15799	2.8
255.22775	2.6
267.20602	3.1
325.21359	100.0
326.21606	6.9
329.20908	7.9
343.22433	9.8
424.28116	5.4
442.29208	22.1
455.19296	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	639.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
61.98838	0.5
68.99796	0.4
69.49949	0.8
69.50306	1.8
71.01395	1.4
85.02936	0.9
85.03412	0.3
88.98852	0.4
89.02463	1.4
93.03444	2.7
98.21841	0.7
101.02474	0.9
113.02419	0.6
116.92863	1.4
120.01224	0.5
121.02969	19.4
123.04517	0.4
125.02491	0.6
133.02934	0.6
135.04538	0.9
137.02419	0.8
145.02965	2.4
147.04532	1.6
151.04100	0.5
161.02478	0.9
162.03171	0.6
165.05576	1.6
166.06389	0.8
175.02585	0.5
177.01949	0.7
177.05595	1.3
181.08667	0.5
191.05623	1.2
193.05099	0.5
197.11861	1.2
207.06503	0.8
209.06313	0.4
237.05672	0.6
238.06169	0.6
239.07230	1.4
240.04308	0.6
241.05112	0.6
251.07159	0.5
253.05045	1.2
253.08817	0.5
255.06618	5.2
256.11060	0.8
267.06662	6.1
269.08209	3.7
270.08456	0.4
281.08182	0.7
282.08981	0.9
283.09796	2.2
284.10580	1.4
285.04120	1.5
293.08789	1.0
295.09869	1.4
299.09274	2.0
300.10059	19.2
311.09317	0.7
312.10074	24.9
313.10443	1.3
315.12415	100.0
316.12714	5.8
327.12418	44.8
328.12805	1.9
329.90506	0.4
335.01956	0.7
345.13437	2.8
346.13712	0.4
459.12872	0.8
507.28030	1.4
525.86316	0.5
639.23389	6.5
640.23663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	26.6
71.01388	9.7
72.99315	3.4
80.57075	2.4
85.02951	4.5
85.06593	5.1
87.00890	2.9
88.98801	3.9
89.02459	6.5
96.96037	2.5
101.02467	6.9
109.02982	2.4
113.02463	4.5
116.92919	3.5
117.93029	2.5
121.02969	19.7
133.02934	2.8
135.04550	4.1
139.35364	2.2
145.03008	2.8
147.04538	26.8
165.05597	22.5
171.10190	2.3
175.04016	2.5
177.01924	6.2
179.03488	4.9
179.05711	2.3
191.05663	4.7
196.03300	2.0
197.11955	11.8
207.06656	15.8
212.59879	2.0
255.06604	4.9
267.06683	6.0
269.08221	2.8
283.09647	2.9
285.04050	4.6
286.04459	2.3
300.10104	15.4
312.10065	26.8
313.10428	2.8
315.12415	100.0
316.12701	4.6
327.12469	40.6
328.12723	4.3
335.01974	3.1
345.13547	3.5
393.47717	2.5
507.28113	16.8
635.72021	2.3
639.24725	29.5
640.22968	2.4
664.74207	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	639.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11270	2.4
59.01383	27.2
61.98840	34.0
69.49581	2.7
71.01386	19.1
73.02953	6.4
85.02963	10.7
89.02461	8.8
89.10130	2.8
93.03458	3.5
99.00839	3.7
101.02446	15.0
113.02446	6.9
118.10928	2.9
125.02431	3.1
161.04614	4.5
170.16182	2.8
217.36044	2.7
229.14510	3.0
242.08380	3.6
269.04782	3.6
270.07861	4.8
327.21774	100.0
400.21863	2.8
459.27435	4.7
474.74680	3.1
496.52701	2.9
507.35495	10.7
639.27917	21.3
639.38965	38.1
644.47998	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	639.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.2
61.98833	52.8
68.74365	3.1
71.01388	58.5
72.99303	3.6
73.02950	15.4
79.96291	3.1
83.01427	4.8
85.02953	24.4
87.00899	6.9
89.02455	29.7
93.03442	3.8
95.01382	3.5
96.92841	3.0
99.00884	6.2
101.02457	39.6
105.01965	3.5
109.02946	3.0
109.93543	2.9
111.00732	3.0
113.02459	22.1
119.03522	12.4
119.05013	5.9
123.04600	5.9
133.02933	5.9
135.04553	6.0
137.02443	6.7
143.03575	3.7
153.05605	6.2
161.02437	7.2
161.04527	13.7
163.04083	6.3
179.03564	4.4
179.05650	10.5
191.05669	4.7
227.03793	2.8
243.15337	2.9
269.04449	4.2
269.42496	2.9
281.06564	3.5
285.04102	8.0
324.07114	5.8
333.06509	2.9
417.24988	32.0
437.10272	3.2
483.13635	3.3
488.11981	3.3
564.33911	3.4
579.30212	100.0
580.30444	3.3
639.35834	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	639.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52294	1.1
55.01859	2.4
57.03450	2.9
58.12988	1.4
59.01388	50.8
59.83426	1.1
60.99317	1.6
61.98829	5.8
65.18453	1.2
66.91124	1.1
69.13921	6.9
71.01389	47.5
72.99313	1.6
73.02957	12.6
82.98598	1.2
83.01399	4.5
85.02959	17.0
87.00877	3.8
88.98816	8.3
89.02456	29.6
95.01398	3.4
97.02948	2.6
99.00893	4.7
101.02448	41.1
112.00954	1.2
113.02464	16.3
119.03518	13.6
124.13559	1.1
125.02440	5.0
131.03523	1.7
141.01941	1.3
143.03525	4.7
159.02933	1.7
161.04614	13.0
179.05644	17.5
221.06697	5.3
245.06786	2.6
254.90736	1.2
263.07764	3.3
359.55170	1.3
417.25009	26.8
418.25296	2.0
579.30280	100.0
580.30774	7.4
580.38635	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	640.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.98833	100.0
79.48768	0.7
117.03463	6.2
119.05068	2.3
141.21480	0.6
145.02960	15.2
149.02548	0.7
151.00418	0.7
163.03999	0.8
163.34906	0.6
190.99881	1.4
197.94576	0.7
206.02228	2.0
207.02551	1.0
208.03548	0.8
223.06189	0.7
268.03824	2.6
269.04568	30.8
270.05002	1.2
413.08740	1.3
431.09802	2.6
542.77441	0.9
577.13580	29.8
578.14124	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	640.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33010	0.4
59.01387	1.6
60.26621	0.5
61.98835	75.0
69.22569	3.0
71.01391	0.8
73.02945	0.9
89.02447	0.6
91.42525	0.5
98.22706	0.8
101.02473	1.1
107.01409	1.1
112.89460	0.6
113.02437	0.5
117.03465	7.1
119.05005	2.4
124.57600	0.5
125.02483	0.6
133.17728	0.5
137.02477	0.5
145.02963	11.9
149.02461	0.9
151.00403	0.9
159.04561	0.9
161.02496	0.6
163.04060	1.0
183.04619	0.7
197.06058	1.1
201.05635	0.9
220.12498	0.5
225.05650	1.0
227.03552	0.6
227.57361	0.5
268.03876	2.3
269.04559	100.0
270.04929	3.1
307.08307	1.1
322.89880	0.5
323.09531	0.7
327.57181	0.5
469.15802	0.7
471.34299	0.5
472.26508	0.5
478.24551	0.6
577.13538	58.3
578.13940	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	640.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06237	0.6
59.01386	1.4
61.98837	100.0
63.02444	0.7
70.04907	1.5
71.01395	1.0
75.17123	0.6
93.90275	0.7
101.02500	1.3
107.01398	0.7
114.10057	0.6
117.03480	3.8
119.05026	0.8
127.88541	0.6
145.02968	6.4
159.91841	0.6
163.03990	0.8
185.58481	0.6
218.23932	0.6
268.03766	1.2
269.04575	63.7
270.05020	2.5
277.61505	0.6
431.09805	0.6
577.13556	28.7
578.14325	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	640.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	10.1
59.01378	5.4
61.98834	91.0
64.29859	1.6
69.13205	9.5
70.57823	1.9
71.01376	3.8
78.16053	1.6
78.95916	3.4
83.01402	3.5
88.98800	1.8
89.02473	1.6
93.03453	3.3
96.96023	25.2
96.96962	2.3
97.02979	1.7
98.95618	13.9
98.96481	3.0
100.31609	1.6
108.02218	4.3
109.02972	16.4
111.00845	2.3
115.68930	1.6
116.92866	5.2
121.02956	4.2
121.36153	1.6
123.04540	11.0
125.02463	100.0
133.02963	3.9
135.04628	4.4
137.02460	26.5
137.06248	1.7
139.04007	2.6
141.46007	1.6
149.02493	5.0
150.03256	3.5
151.04013	10.9
152.01117	4.8
159.04544	2.7
161.01311	1.2
161.02470	32.2
163.04048	2.9
164.01161	5.8
165.01930	6.0
167.03513	3.1
175.03976	8.7
177.01988	4.2
179.03487	5.5
181.05103	3.3
187.03993	5.0
188.04897	2.5
193.05077	2.8
195.06664	2.7
201.05609	1.8
203.07204	7.3
205.01378	3.1
205.05066	7.5
210.38571	1.9
229.04996	2.8
245.04576	5.6
245.08165	12.9
255.02956	3.8
273.04169	6.4
287.05606	13.5
289.07217	68.3
299.05606	5.9
339.09055	2.3
345.15619	2.5
407.07788	41.3
425.08826	42.4
425.14041	1.7
426.09171	2.3
451.10483	12.0
452.10538	2.1
478.16885	1.9
479.12204	2.2
577.13635	21.4
640.19379	7.0
641.17200	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	640.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	10.8
61.98837	34.0
63.32756	1.9
70.67203	2.1
70.89690	3.2
72.77287	1.8
82.11217	1.9
83.01402	4.0
93.03449	4.2
95.05042	4.0
97.02957	3.8
97.39632	2.4
109.02965	19.6
116.02068	1.9
121.02989	3.2
123.04547	10.3
123.36304	2.4
125.01526	5.0
125.02457	100.0
133.02971	6.7
135.04535	5.3
137.02458	19.9
139.04044	3.8
143.11311	2.1
146.06084	5.5
149.02460	8.4
151.04019	15.3
159.04497	2.9
161.02446	21.7
161.06042	4.6
163.04022	4.1
164.01222	5.8
165.01950	6.5
171.71490	2.1
175.03914	10.5
177.01938	8.9
179.03520	10.0
183.34081	2.5
187.04028	9.1
188.04803	3.9
188.07272	2.6
191.05630	6.4
202.06366	3.4
203.07121	13.1
205.01404	2.5
205.05107	8.7
217.04987	3.0
221.08168	3.2
229.05099	3.2
245.04535	6.5
245.08212	16.9
255.03143	10.9
256.03784	4.5
257.04285	2.6
271.06409	2.6
273.03906	4.1
281.04517	6.3
285.04184	4.5
287.05542	10.7
289.07184	68.7
290.07687	4.2
297.03864	3.4
299.05588	5.7
339.08765	2.8
352.10400	14.0
381.10043	2.7
407.07663	62.8
425.08786	47.4
426.09061	2.7
434.03253	2.7
449.08405	3.8
451.10291	22.9
577.13452	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	10.8
61.98837	34.0
63.32756	1.9
70.67203	2.1
70.89690	3.2
72.77287	1.8
82.11217	1.9
83.01402	4.0
93.03449	4.2
95.05042	4.0
97.02957	3.8
97.39632	2.4
109.02965	19.6
116.02068	1.9
121.02989	3.2
123.04547	10.3
123.36304	2.4
125.01526	5.0
125.02457	100.0
133.02971	6.7
135.04535	5.3
137.02458	19.9
139.04044	3.8
143.11311	2.1
146.06084	5.5
149.02460	8.4
151.04019	15.3
159.04497	2.9
161.02446	21.7
161.06042	4.6
163.04022	4.1
164.01222	5.8
165.01950	6.5
171.71490	2.1
175.03914	10.5
177.01938	8.9
179.03520	10.0
183.34081	2.5
187.04028	9.1
188.04803	3.9
188.07272	2.6
191.05630	6.4
202.06366	3.4
203.07121	13.1
205.01404	2.5
205.05107	8.7
217.04987	3.0
221.08168	3.2
229.05099	3.2
245.04535	6.5
245.08212	16.9
255.03143	10.9
256.03784	4.5
257.04285	2.6
271.06409	2.6
273.03906	4.1
281.04517	6.3
285.04184	4.5
287.05542	10.7
289.07184	68.7
290.07687	4.2
297.03864	3.4
299.05588	5.7
339.08765	2.8
352.10400	14.0
381.10043	2.7
407.07663	62.8
425.08786	47.4
426.09061	2.7
434.03253	2.7
449.08405	3.8
451.10291	22.9
577.13452	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98835	100.0
62.14578	0.3
65.00330	0.3
65.45420	0.3
71.01394	0.3
87.00853	0.3
93.52212	0.3
98.21909	0.9
99.92647	0.3
116.92884	1.5
117.03459	1.2
117.92920	0.6
133.02936	0.3
135.04468	0.3
149.02461	0.5
150.95844	0.3
151.00337	0.3
159.04575	0.3
161.02437	0.5
167.00099	0.3
167.03642	0.4
201.05537	0.4
206.63602	0.3
225.05588	0.5
268.03754	1.5
269.04565	54.6
270.04898	2.1
325.65631	0.3
345.13086	0.3
346.13803	0.6
507.24762	0.8
508.24921	0.8
545.58588	0.3
551.64160	0.3
577.15692	10.0
578.16113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
64.46091	0.3
69.88029	0.9
71.01373	0.6
72.99289	0.3
85.02959	0.4
87.00851	0.3
93.03478	0.4
97.22962	0.3
101.02449	0.4
113.02440	0.4
120.01267	100.0
121.01613	0.4
133.02998	0.4
135.04462	0.4
136.88499	0.3
137.02475	0.3
145.02953	0.9
152.18205	0.3
161.04649	0.5
162.03198	0.3
164.04852	0.5
174.05573	0.3
177.05627	0.8
178.00948	0.5
179.03520	0.8
179.05698	0.5
179.07149	0.4
190.08771	0.8
191.05609	0.7
211.04378	0.8
220.09857	0.6
285.04242	0.4
327.12329	0.5
335.09811	0.3
357.13452	1.5
461.13422	0.6
489.17297	0.3
519.18488	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	640.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17880	0.5
59.01376	1.3
68.75243	0.5
69.32639	1.2
69.33052	1.9
71.01394	0.8
85.02943	0.6
89.02479	0.7
98.22601	1.2
101.02491	0.8
112.98816	1.0
120.01266	100.0
133.03011	1.3
135.04587	1.3
137.02501	0.7
145.02954	0.8
177.01846	0.7
177.05589	1.1
179.03543	1.3
179.07170	0.6
190.08768	1.0
191.05634	2.2
211.04225	0.7
288.06024	0.6
357.13458	1.3
449.27600	0.6
461.13919	0.8
519.18964	2.5
540.65057	0.6
547.49438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.6
61.70547	1.0
71.01389	4.8
71.16909	1.1
71.43729	1.3
71.76047	1.0
72.99331	1.4
77.03979	1.7
80.40497	1.1
83.01382	1.7
84.99317	2.3
85.02970	2.4
87.00879	10.0
88.98814	3.3
89.02448	1.9
93.03474	15.5
95.05052	4.2
97.42337	1.1
101.02458	2.7
103.00360	5.0
105.03478	12.2
107.80732	1.1
108.02220	3.0
109.03000	2.1
112.96217	1.1
112.98830	18.0
112.99593	1.4
113.02502	2.3
115.63428	1.0
116.92885	1.3
120.01251	6.7
120.99679	3.7
121.02990	1.6
123.04551	3.6
130.99870	2.1
133.02974	78.9
134.03749	3.0
135.04539	69.9
135.33160	1.2
136.04893	1.3
137.02466	17.3
138.03212	1.4
149.00929	2.2
149.02489	1.3
150.03250	2.3
151.04056	3.2
152.01166	6.3
153.01956	4.1
153.05487	1.1
161.02466	7.5
161.95044	1.0
165.05592	2.0
167.03505	9.3
168.04317	1.4
177.01945	66.2
178.02533	1.5
179.03516	100.0
180.03937	1.6
181.05098	1.3
182.02252	4.4
182.05916	1.8
183.03069	1.8
191.05629	7.3
195.06673	2.0
197.04604	5.0
206.02036	1.2
223.21687	1.2
281.06674	7.0
285.04041	1.7
311.07870	1.8
317.10318	1.5
327.07126	2.5
331.10208	1.4
339.45309	1.2
341.08948	7.1
479.11777	36.8
480.12387	2.1
521.12500	1.7
641.13824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.7
60.99313	15.0
71.01391	2.1
73.02950	0.4
73.04029	0.3
78.44235	0.3
80.70425	0.3
80.83636	0.4
83.05043	0.9
85.02954	0.6
87.00887	2.6
88.00372	0.4
88.85192	0.3
88.98815	100.0
89.02457	6.0
89.99118	0.5
93.03469	0.5
95.64169	0.4
99.57967	0.3
101.02447	2.2
111.04506	1.5
113.02491	1.6
114.94958	0.3
119.03503	0.9
131.03549	0.9
137.02467	0.7
155.03526	0.5
161.04590	0.4
179.05659	0.7
182.39345	0.3
203.14909	0.3
244.64758	0.3
251.10512	0.6
255.43753	0.3
275.07745	1.3
293.08835	6.3
294.09116	0.4
295.09293	0.5
317.08865	3.9
319.09235	0.4
343.16306	0.3
347.09869	1.8
377.10907	1.1
395.12292	0.5
605.07867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86459	0.6
57.03446	2.7
57.25029	0.6
59.01388	1.5
69.03452	0.7
71.01401	0.7
80.02665	0.8
81.03457	2.3
83.01385	3.4
85.06581	2.1
88.98804	0.7
92.30276	0.7
93.03473	1.2
95.05016	3.9
97.02953	5.6
108.02164	1.1
109.02959	25.1
110.03288	0.6
112.98824	1.2
120.01254	0.9
121.02981	2.5
122.03744	1.5
123.04536	16.2
125.02454	17.0
133.02969	1.9
134.03773	0.8
135.04556	2.8
137.02432	8.7
138.03162	0.7
139.04012	3.2
145.02959	1.4
146.03708	1.7
147.04590	0.8
149.00032	0.6
149.02467	5.4
150.03253	1.4
151.04033	8.0
152.01096	0.9
153.01953	0.7
154.14375	0.7
159.04553	2.3
160.05255	1.9
161.02365	1.1
161.06065	5.5
162.03276	1.9
163.03973	1.2
164.01178	2.7
165.01953	3.9
167.03491	1.9
174.03307	1.1
175.04012	1.8
175.07619	2.1
177.01961	1.1
177.05525	1.2
179.03543	6.8
185.06133	0.9
187.04002	5.4
188.04802	4.8
189.07710	1.1
193.05077	0.9
201.05550	1.2
202.06386	1.8
203.07133	11.6
204.07520	1.2
205.05045	7.5
206.05411	1.0
219.06857	0.7
221.08208	2.9
227.07150	2.1
230.05753	0.9
231.03050	0.7
245.08206	18.0
246.08527	0.8
247.06075	1.0
258.49902	0.8
271.06064	0.9
272.15656	0.8
289.07202	100.0
290.07495	4.3
291.07797	1.1
503.33389	0.6
622.43634	0.9
641.19476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67601	2.2
53.36457	1.9
58.88027	1.7
59.01387	13.2
61.98837	32.4
62.67785	1.9
69.36715	4.2
69.37119	7.2
71.01386	15.7
73.02930	2.9
80.91659	2.1
83.01367	3.9
85.02943	10.3
89.02448	3.9
92.02660	2.1
93.03464	62.8
96.99344	2.1
101.02444	8.1
108.02233	3.7
113.02449	6.1
116.49505	2.0
116.92834	3.8
121.02997	10.9
123.04520	2.4
123.49366	2.1
129.85663	2.0
131.45399	2.0
133.02922	2.4
135.04546	6.4
136.01645	3.4
137.02460	80.2
145.02864	2.1
147.04506	2.1
151.03969	3.8
160.05321	4.7
163.06760	2.3
177.01880	2.7
179.03493	5.9
206.55815	2.1
222.15799	2.2
223.06161	2.4
269.08157	15.9
281.06656	74.5
283.09814	6.4
299.09235	9.2
300.09998	3.6
311.09299	15.7
312.10043	3.4
314.11636	21.5
315.12363	10.9
326.11761	12.7
327.12134	3.8
329.13931	23.5
341.14014	10.4
549.77600	2.3
611.21094	2.7
641.22363	100.0
641.37842	8.4
642.22559	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	641.2764
Annotation	NK 30424AS1
Peak:m/z	Relative Intensity
51.02925	2.0
59.01381	3.5
61.31921	2.0
63.16169	1.8
67.93451	1.7
75.79127	2.1
82.40371	1.8
82.94603	3.5
126.61920	1.9
126.90398	21.5
126.93571	2.3
127.00235	4.2
128.03539	6.7
195.43536	2.7
329.13992	3.2
417.79514	2.8
419.07687	4.8
527.20667	7.0
555.20325	3.3
603.20496	3.1
605.19324	2.6
641.27576	100.0
642.18585	2.4
642.27673	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	641.2765
Annotation	NK 30424AS1
Peak:m/z	Relative Intensity
51.13298	1.2
61.98827	2.4
75.10503	1.7
96.96019	1.5
115.93301	1.4
117.30051	1.3
124.51912	1.4
152.03528	1.4
159.32671	1.5
162.03276	1.8
175.45979	1.2
177.01955	2.5
190.02655	1.3
229.04877	1.5
233.85376	1.2
238.94707	1.3
243.06523	3.5
245.08258	2.1
313.14636	3.2
329.13864	4.4
419.07623	4.7
487.13477	1.8
511.21112	1.5
517.15027	3.8
527.20691	4.0
537.18829	1.6
555.20245	5.9
641.27612	100.0
642.28247	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	641.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24393	0.5
52.57604	0.5
55.34806	0.6
59.01373	0.6
61.98833	0.9
69.23242	3.2
78.95895	0.8
104.02695	0.6
109.96081	0.6
118.04263	1.2
125.02477	0.7
135.24821	0.6
152.99602	1.3
161.02464	0.9
162.03242	1.7
176.01172	1.0
185.06075	1.4
189.01923	3.4
190.02731	6.7
191.03398	1.1
198.06895	2.4
199.07652	26.0
200.08484	0.9
203.03546	2.6
222.01714	1.3
225.05533	3.6
226.06335	1.3
227.07106	5.2
229.05078	10.2
230.05766	1.4
240.07726	0.7
243.06627	34.0
244.07405	11.9
246.93286	0.8
276.06229	0.7
312.13681	2.9
313.14465	73.1
314.14801	3.4
314.18277	0.8
327.16174	0.8
329.14243	0.7
368.50266	0.6
513.23315	0.6
641.31244	100.0
642.31311	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	641.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32942	0.5
69.70511	0.5
69.70834	1.4
98.22636	0.6
104.02684	0.8
118.04282	1.2
145.02968	0.8
148.01620	0.7
161.02435	0.8
162.03238	1.4
176.01187	2.2
185.06085	1.6
189.02002	2.5
190.02704	6.2
190.52888	0.5
191.03546	0.9
198.06847	1.5
199.05798	1.1
199.07655	20.8
200.08223	1.1
201.01970	0.5
203.03525	2.1
222.01674	1.0
225.05539	2.9
226.06229	1.1
227.07094	4.0
229.05054	7.5
230.05754	1.0
243.06622	33.7
244.07397	10.3
245.07932	0.7
257.08270	0.5
259.09674	0.8
268.03873	0.7
276.06357	0.8
288.31125	0.6
308.69107	0.5
312.13589	2.9
313.14471	59.3
314.14822	2.7
327.16092	1.0
641.31232	100.0
642.31683	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	641.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05149	0.7
61.98838	1.0
68.23579	0.7
69.12714	4.5
72.08855	0.7
75.80574	0.7
92.92846	0.8
98.21938	1.3
104.02689	1.0
107.05035	0.9
119.94737	0.8
121.83546	0.9
145.02960	0.9
151.36629	0.8
154.89935	0.8
161.02385	0.8
162.03238	1.7
170.89328	1.0
171.08049	0.8
176.01234	1.7
177.01949	4.7
185.06116	0.8
187.07704	0.9
189.01956	3.3
190.02716	5.5
191.03499	0.9
198.06874	1.0
199.07660	21.2
201.01939	1.2
203.03523	2.2
225.05576	3.4
227.07159	3.9
229.05077	7.3
230.05728	1.5
243.06622	43.1
244.07381	9.3
245.08041	1.1
268.99915	0.8
273.15176	0.8
312.13733	10.0
313.14481	62.8
314.14893	2.5
327.15948	5.5
329.13959	1.6
597.32550	3.9
641.31274	100.0
642.31628	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	642.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.8
60.47721	3.0
62.35117	3.6
70.89584	4.6
71.01394	9.0
89.02473	3.1
101.02452	10.5
109.02938	7.0
119.03505	4.6
123.04523	4.2
125.02444	5.1
128.85236	3.2
130.06656	8.0
130.56839	2.9
133.02946	4.9
137.02467	7.0
138.02531	3.1
142.06581	6.8
144.04587	4.9
144.08192	11.5
145.05374	5.5
146.06133	43.1
158.06168	4.5
160.04050	9.4
160.07658	13.8
161.04549	4.6
164.11572	3.4
170.06123	3.9
178.02382	3.7
186.05725	4.7
188.07135	18.9
190.05128	3.2
191.05600	5.7
203.07127	4.2
289.07150	22.2
308.10904	3.6
333.67166	3.5
352.10419	100.0
511.83771	3.5
667.39667	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	642.183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.48390	0.3
65.39393	0.3
68.99817	0.4
77.44669	0.4
81.95944	0.3
108.02177	0.6
123.04559	1.0
137.13882	0.3
138.03307	0.4
142.02370	0.3
150.03210	0.4
161.02571	0.4
162.03226	0.4
163.03951	0.5
177.05583	1.0
178.02715	1.0
193.05035	3.5
197.17961	0.4
218.05847	0.5
265.04529	0.4
321.07858	0.6
336.10272	0.4
340.09589	0.5
354.11343	0.4
355.11938	1.1
367.11996	1.3
579.18774	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	642.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
60.41745	0.3
61.98834	100.0
69.28361	1.4
88.98832	0.4
90.33821	0.3
101.87154	0.3
111.28123	0.3
134.03815	0.3
155.68446	0.3
161.02380	0.3
172.37378	0.3
284.03424	0.7
299.05582	1.5
510.26114	0.4
597.68042	0.3
607.17700	0.4
642.37903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.5
61.21251	0.4
61.98826	1.1
69.27014	0.8
69.27415	2.0
71.01380	1.3
78.10458	0.4
85.02963	1.1
87.00886	0.9
93.03495	1.8
95.05050	0.9
96.96026	0.7
101.02448	1.2
103.00380	0.7
105.03476	1.8
106.03788	0.7
112.98830	3.3
113.02477	1.3
116.92854	0.6
120.01265	100.0
121.01635	1.0
133.02972	12.6
134.03294	5.1
135.04530	6.5
136.04883	2.1
137.02437	0.8
145.02963	1.0
161.02458	0.8
177.01947	9.7
178.00943	0.6
178.02306	4.2
179.03514	7.2
180.03880	3.4
191.05644	2.5
285.04092	1.8
320.15543	0.5
343.13840	1.3
451.91522	0.5
479.12131	0.8
480.12363	1.4
491.19299	2.2
521.20459	2.9
556.69659	0.5
572.84741	0.5
642.21478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.5
61.21251	0.4
61.98826	1.1
69.27014	0.8
69.27415	2.0
71.01380	1.3
78.10458	0.4
85.02963	1.1
87.00886	0.9
93.03495	1.8
95.05050	0.9
96.96026	0.7
101.02448	1.2
103.00380	0.7
105.03476	1.8
106.03788	0.7
112.98830	3.3
113.02477	1.3
116.92854	0.6
120.01265	100.0
121.01635	1.0
133.02972	12.6
134.03294	5.1
135.04530	6.5
136.04883	2.1
137.02437	0.8
145.02963	1.0
161.02458	0.8
177.01947	9.7
178.00943	0.6
178.02306	4.2
179.03514	7.2
180.03880	3.4
191.05644	2.5
285.04092	1.8
320.15543	0.5
343.13840	1.3
451.91522	0.5
479.12131	0.8
480.12363	1.4
491.19299	2.2
521.20459	2.9
556.69659	0.5
572.84741	0.5
642.21478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89218	0.2
56.80653	0.2
57.35870	0.2
59.01387	0.2
61.98834	100.0
68.23271	0.2
69.04314	0.2
69.10992	1.0
88.98826	0.6
105.03422	0.2
120.01282	0.7
133.02995	0.3
134.95122	0.2
135.04546	0.4
172.55537	0.2
191.05685	0.3
238.24255	0.2
244.60410	0.2
303.28452	0.2
378.08981	0.2
452.82077	0.2
623.74817	0.2
638.82959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15246	0.1
57.13059	0.1
59.01379	0.6
61.98838	100.0
68.70271	0.2
69.26228	1.0
69.27177	0.1
71.01395	0.5
75.40127	0.2
79.89272	0.2
89.02460	0.2
93.03486	0.5
101.02477	0.2
105.01895	0.2
113.02499	0.2
116.92830	0.2
121.02993	0.2
128.03561	0.2
137.02458	0.8
143.88596	0.1
165.01936	0.2
165.05675	0.2
179.03575	0.2
187.51071	0.2
191.05629	0.2
227.03360	0.2
255.03102	0.3
256.03290	0.3
279.91861	0.2
281.06696	1.4
283.02527	1.2
284.03018	0.7
285.04050	1.9
286.04495	0.7
361.16666	0.4
377.31656	0.2
473.10910	0.4
474.11465	0.5
605.15576	0.4
606.15753	1.1
643.24316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84792	0.5
57.78450	0.5
59.01383	100.0
61.98824	0.7
69.35494	2.3
81.58032	0.6
94.42751	0.5
115.86678	0.5
132.98184	1.1
157.03580	4.0
159.01500	2.4
174.99258	23.7
175.99690	0.5
176.98125	13.5
176.99654	0.8
201.02570	55.2
202.02707	1.8
217.00313	89.3
218.00734	1.5
343.03696	15.1
344.03857	0.5
359.01480	69.4
360.01663	2.9
371.96179	0.6
494.57227	0.5
501.02957	4.9
556.75964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44006	0.8
56.90133	0.9
57.03449	3.6
59.01379	1.5
67.68169	0.8
69.03465	1.2
69.35890	4.6
71.01389	1.1
79.08475	0.9
81.03471	3.1
83.01400	3.4
83.87376	1.0
88.98814	1.3
93.03470	2.1
93.68392	0.8
95.05045	3.6
97.02941	6.5
108.02205	2.1
109.02962	27.7
121.03007	3.0
122.03786	1.8
123.04540	20.8
125.02456	19.3
135.04546	3.4
137.02460	11.2
138.03209	1.6
139.04022	3.4
139.67308	0.9
145.02946	1.1
149.02493	4.1
150.03328	1.0
151.04033	8.9
159.04556	3.4
160.05359	1.1
161.02475	2.3
161.06125	5.8
162.03220	2.8
163.03967	1.9
164.01192	4.0
165.01935	4.0
166.02925	0.9
167.03497	1.8
173.06100	1.2
175.04028	2.6
175.07692	2.1
179.03545	8.0
185.06079	1.2
187.04018	4.5
188.04800	4.3
191.05614	1.7
193.05096	1.3
199.07594	1.0
201.05658	1.3
202.06389	3.0
203.07144	13.6
205.05090	8.3
212.04831	1.1
221.08307	4.4
227.07103	2.5
230.05952	1.8
231.02983	1.5
245.08177	19.4
277.93558	0.9
287.05557	1.5
289.07196	100.0
290.07520	2.9
412.14157	1.0
427.21408	1.0
522.88300	0.9
548.06665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01381	2.6
68.88383	2.0
70.27459	5.1
71.01348	1.9
78.26627	2.0
85.02965	7.3
88.98819	4.2
93.03449	2.9
101.02452	2.8
113.02470	1.9
117.21844	1.9
123.04587	2.5
125.02438	5.1
135.04506	3.2
137.02435	4.8
146.06123	5.2
147.06468	2.2
151.03975	2.9
161.02524	2.5
162.36586	2.1
167.03499	2.9
172.54935	2.2
179.03452	3.4
191.05627	100.0
192.05888	4.4
193.04985	2.2
245.08179	2.5
275.48782	1.8
287.05753	1.9
289.07230	11.2
352.10452	8.5
353.08304	12.3
445.13547	2.5
580.52563	2.2
643.15662	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	643.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38453	2.0
66.58176	2.0
70.46255	2.1
71.44273	2.1
85.21883	2.0
90.94788	2.0
119.79724	2.0
289.84009	2.0
305.08972	2.2
467.17755	2.3
496.14151	6.7
508.17908	4.9
510.15665	4.3
511.16272	6.0
512.16705	4.2
513.17645	2.3
523.19757	4.4
544.15613	2.6
549.17352	2.3
571.18152	6.2
643.20477	100.0
643.31067	4.8
644.20844	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	643.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.7
61.98842	9.5
69.69280	5.5
71.01400	2.2
76.56972	1.5
83.81098	1.3
85.02945	1.4
89.02455	1.6
90.36514	1.4
96.96031	2.8
109.02992	2.0
110.29744	1.4
125.02399	2.3
135.04523	2.6
137.02426	5.4
150.03307	1.6
151.03989	2.6
158.14487	1.6
161.02425	2.5
165.01875	1.8
165.05698	1.8
170.72929	1.4
179.03381	2.5
189.01932	20.9
201.01950	27.1
215.03477	2.9
225.05470	2.3
227.07175	8.2
229.05048	4.4
243.06599	6.3
244.07410	45.8
245.07809	1.9
259.09756	100.0
260.10156	3.1
269.04523	2.8
285.04364	1.8
301.11847	1.7
481.18555	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	643.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18279	0.9
54.62946	1.0
59.01376	3.2
61.98834	17.2
64.46378	1.0
71.01386	2.0
73.40639	0.9
89.02466	1.6
97.84887	1.0
101.02466	1.1
101.67303	1.1
109.02976	5.0
117.03518	1.3
117.26449	1.1
117.97321	1.0
121.02967	1.3
131.05080	1.1
135.04538	3.1
136.01700	3.3
137.02449	28.3
145.03023	2.7
148.93600	1.2
149.06026	1.3
150.03259	2.5
150.99326	0.9
151.00363	6.2
151.04021	3.5
152.01202	1.5
152.04771	1.5
161.02409	1.1
164.01164	1.9
165.01942	100.0
165.05605	3.0
166.02704	16.5
167.03427	2.7
175.04079	1.8
177.02037	1.7
177.05539	1.9
179.03516	19.8
180.04288	56.1
181.05087	21.9
187.03958	1.5
192.04245	1.8
194.05878	3.4
195.06639	72.8
196.07068	1.5
205.05214	5.9
210.05356	10.9
219.03171	1.0
220.07387	1.8
225.07690	53.7
269.04568	2.5
270.04929	1.6
284.03278	7.2
285.03769	1.4
293.17667	1.4
299.05505	7.9
339.08932	1.4
341.06717	1.5
359.11453	2.5
386.13379	1.2
387.10620	2.8
387.14969	8.2
403.14151	2.2
416.14807	1.8
417.15549	26.6
565.20813	2.3
580.13708	1.8
595.21881	46.8
596.22333	2.0
607.14209	5.6
643.36865	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	643.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81047	1.9
51.08955	2.1
56.27948	2.2
59.01389	3.9
71.12315	3.2
76.14719	2.2
87.83643	2.1
88.60020	2.3
94.06646	7.0
106.06670	2.6
107.03777	8.2
111.02874	2.5
120.08218	24.2
121.05331	2.9
122.06130	73.0
132.04579	3.5
134.06158	6.3
152.07199	74.0
153.07582	2.6
160.03993	3.3
190.05209	3.8
223.08829	8.8
224.09601	2.9
225.10268	4.0
232.14195	2.4
232.16779	2.0
235.12363	2.4
236.09633	2.8
237.10416	12.6
238.11021	4.9
239.11916	11.6
245.12918	3.8
249.06709	2.5
251.08235	5.6
251.11963	7.0
260.93024	2.6
263.08292	5.6
264.09021	13.4
265.09897	7.6
267.11508	2.2
267.18518	2.3
277.09641	3.4
278.10678	5.6
279.11481	41.4
280.12067	3.8
284.03009	2.9
291.11389	9.1
292.12286	3.1
295.10849	5.7
299.05533	2.6
309.09103	2.3
315.47034	2.4
323.10373	10.4
324.11224	3.0
325.12021	4.9
340.37811	2.3
355.13129	5.0
360.17380	3.0
392.18399	2.5
402.18280	10.3
444.19492	11.0
445.19757	3.8
448.18732	6.1
460.19092	3.1
488.18375	31.4
489.18982	17.9
490.19357	2.6
505.56683	2.4
520.21002	41.2
521.21454	6.6
525.24512	3.2
567.26031	27.1
568.26233	4.7
611.25189	100.0
612.25385	8.8
643.27563	27.2
644.27252	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	644.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	3.4
70.79527	1.3
70.89001	0.7
88.78808	0.9
105.79446	0.8
117.82739	0.8
120.88964	0.9
189.01942	15.2
190.02284	0.9
201.01958	18.3
215.03456	1.2
225.05632	1.8
227.07213	4.6
228.04402	0.9
229.05022	4.3
243.06664	4.1
244.07405	22.3
259.09769	19.7
259.41595	0.9
260.10110	2.0
263.38260	0.8
278.91595	1.3
288.62671	0.9
290.95181	1.3
292.93143	1.3
317.93951	5.1
318.94656	8.7
330.96701	1.0
332.96274	15.7
333.96973	14.9
334.97678	2.1
369.94669	34.7
370.95047	0.9
384.97055	100.0
385.97427	4.0
652.23499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83775	1.8
59.01384	11.6
69.28328	3.6
69.28733	5.6
71.01383	3.6
85.02952	2.6
87.00883	4.1
89.02451	2.0
92.05090	3.1
116.05083	8.1
118.02999	7.9
128.05127	2.4
130.06616	10.8
131.03767	2.6
132.04582	2.9
134.06137	5.2
142.06609	4.7
144.04565	100.0
146.02489	34.6
158.06128	32.0
160.04039	5.5
162.05638	7.2
174.05614	3.1
176.07179	20.5
179.87207	1.8
186.05632	10.8
204.06673	26.9
230.04610	5.1
236.81560	1.8
300.12592	2.0
308.07727	7.0
350.08865	17.3
368.09888	77.6
403.04160	1.8
441.20154	1.9
531.66199	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	644.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68737	1.9
59.01388	12.1
61.01117	2.4
69.10455	14.6
71.01389	3.2
79.44944	1.9
92.05071	2.4
94.68211	1.9
98.22708	3.6
101.02444	3.0
105.04253	2.0
116.05064	10.3
118.02976	4.2
128.05025	2.4
130.06651	9.4
132.04539	2.1
133.93880	1.9
134.06160	5.1
142.06657	4.0
144.04570	100.0
146.02509	38.1
146.06076	2.4
158.06120	28.3
160.04013	5.5
162.05638	8.5
174.05640	3.3
176.07153	18.4
186.05635	8.8
204.06679	29.8
230.04582	9.1
230.08369	2.5
306.09665	3.1
308.07693	7.9
324.10770	2.2
350.08929	17.9
368.09872	78.5
369.10074	3.3
547.46332	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	644.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.5
61.98834	100.0
63.44104	0.4
65.87147	0.4
71.15491	0.8
77.45831	0.4
118.96633	0.5
132.65857	0.6
163.47595	0.4
164.00850	0.6
217.00455	0.6
375.62811	0.5
475.14050	0.6
480.20197	1.0
498.21469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.4
59.93530	0.2
60.12347	0.3
61.98835	100.0
75.06499	0.2
106.76376	0.2
133.03001	0.3
136.01750	0.2
163.02840	0.6
180.88876	0.2
181.91656	0.2
184.23540	0.2
202.19357	0.2
246.72661	0.2
270.05051	0.2
299.05640	0.4
424.22223	0.2
439.11600	0.6
643.37415	0.7
644.37860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.3
61.41455	0.2
61.51398	0.2
61.98836	100.0
67.34142	0.2
68.99821	0.5
69.26769	0.6
69.27198	0.8
108.02165	0.3
123.04530	0.5
137.02487	0.3
165.01932	1.2
166.02399	0.3
175.70135	0.2
177.05571	0.6
178.02736	0.6
179.03577	0.4
180.04347	0.8
181.05008	0.4
193.05103	1.6
194.05838	0.4
195.06680	1.3
196.07031	0.4
225.07750	0.8
293.07529	0.2
581.20361	2.9
596.22583	0.7
644.37012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	68.1
60.73171	2.6
61.98836	3.9
66.74389	2.4
67.07298	2.5
69.84465	9.5
71.01387	46.5
72.87552	2.5
83.01402	4.7
85.02966	11.1
87.00883	11.4
89.02446	54.7
95.01429	4.0
98.22617	2.8
99.31913	2.9
99.32560	2.7
101.02442	28.7
113.02461	27.7
119.03512	25.9
124.52587	2.9
131.03490	3.6
143.03526	9.6
161.04599	12.0
179.05647	25.2
190.50143	2.6
210.85834	2.9
277.21756	100.0
278.21967	6.6
291.23251	5.0
319.22946	5.0
323.09866	32.7
341.06870	2.0
341.10846	58.9
341.14621	4.9
343.56320	2.9
601.32373	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	93.3
69.19854	55.3
70.80553	100.0
71.01382	67.5
71.16985	66.3
72.59553	61.0
107.99239	65.1
161.04599	95.4
668.72412	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79596	1.9
53.30654	1.9
59.01366	6.4
61.98842	24.0
71.01389	3.4
87.00858	2.0
89.02431	3.4
93.03472	2.9
96.96028	7.7
101.02415	3.6
108.02159	2.7
109.02963	44.2
116.92883	3.8
119.14836	2.1
121.02954	7.8
122.06101	3.5
123.00826	2.5
123.04544	15.3
125.02454	4.2
132.04536	4.1
133.03008	2.6
135.04529	8.9
136.01678	2.7
136.07693	4.2
137.02463	3.4
137.06113	2.0
149.02493	17.0
149.06071	1.9
150.03218	5.6
151.04001	18.9
152.01068	3.1
161.02492	11.2
163.04012	5.8
164.04823	11.7
165.01930	3.7
165.05511	2.5
176.03500	2.1
177.01956	18.5
179.03510	5.0
179.07138	4.0
180.04294	2.1
181.05029	2.2
183.20346	1.9
189.01952	30.3
190.02718	5.8
191.03467	7.3
191.05298	2.0
193.01451	14.0
195.06610	6.2
197.02498	2.6
203.03549	4.6
205.05075	2.1
208.03748	28.2
214.02592	3.5
215.03462	9.4
216.00670	3.3
217.01453	26.1
218.02020	2.6
219.03030	10.7
223.06134	71.2
225.07762	4.1
229.01463	6.8
231.03085	10.3
232.03896	2.5
239.03615	3.7
242.02216	28.9
243.02983	16.5
245.08250	2.6
255.03004	5.7
261.03876	2.7
269.00986	17.4
271.02582	2.9
273.04071	12.1
274.01172	9.2
284.03223	7.6
285.03671	2.5
289.07227	6.8
301.03677	3.2
301.07071	3.6
341.06677	100.0
341.10876	3.8
342.07071	4.2
383.07684	4.5
393.06186	90.4
425.08914	14.7
451.10379	68.3
452.10654	3.6
493.11502	5.6
503.09933	54.6
504.10422	3.2
513.26447	2.2
535.12183	8.1
613.13373	11.8
645.16272	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	645.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.1
61.98834	3.0
69.79771	1.6
69.80126	1.8
70.86568	0.8
71.01396	3.7
80.96548	0.8
85.02961	1.7
87.00883	7.3
89.02467	2.8
93.03453	1.0
95.01405	0.9
96.96024	3.5
97.02975	0.8
99.00895	0.9
101.02480	1.9
107.04930	0.8
109.02956	6.8
111.00907	1.9
111.08169	0.9
111.32278	0.7
112.98866	1.3
113.02479	1.2
116.05083	1.0
120.58330	0.7
126.90423	4.9
133.02951	1.5
134.03743	1.0
135.04549	11.1
137.02461	1.5
139.04025	1.6
143.05038	2.9
143.06140	0.8
144.04517	1.0
149.00934	2.4
149.06084	8.1
150.03322	1.4
150.06882	40.9
153.01952	1.6
159.04544	1.8
160.03995	1.2
160.05284	1.1
161.02388	1.0
161.06088	5.5
163.07678	7.8
164.08447	9.6
171.04538	3.0
171.10278	12.5
174.03226	2.6
177.05592	8.6
178.10013	1.5
179.03531	5.2
179.10796	27.8
187.04051	1.1
189.05585	55.3
190.05933	2.0
191.05582	1.8
193.05113	1.6
207.06613	6.6
215.82381	0.9
221.04565	6.2
221.08145	1.1
231.06631	2.2
239.43007	0.9
243.09267	1.1
284.03381	1.1
285.04108	1.9
299.01428	0.9
311.07733	10.6
312.08221	1.0
318.18381	1.5
333.09741	1.0
333.20731	5.6
335.02161	0.8
336.19385	2.6
350.21097	6.1
351.21783	43.5
352.22101	1.9
353.08575	0.8
375.21756	1.4
377.59415	0.9
393.12119	2.4
455.12149	0.8
473.11090	1.3
513.27094	100.0
514.27496	7.2
515.14099	2.0
645.18658	1.3
645.27545	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	645.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12365	1.0
59.22876	1.1
65.32275	1.1
70.56998	1.7
70.57314	1.2
72.00900	2.1
73.04076	25.3
78.95901	1.1
84.00907	1.1
91.05531	4.4
99.01997	2.7
112.57838	1.0
113.66923	1.1
118.84037	1.3
126.09310	1.9
130.25882	1.0
137.10828	1.3
138.56607	1.2
141.10362	1.3
143.11919	2.5
147.04541	11.8
151.08762	1.9
152.07150	1.5
164.07202	20.0
165.10371	6.3
168.11435	6.0
169.09828	5.3
177.10384	5.7
186.12480	30.7
203.08313	2.3
209.44098	1.3
221.09355	2.6
225.13634	5.1
226.21797	6.1
227.28331	1.3
243.14589	5.5
260.43835	1.2
266.21213	2.2
269.80707	1.1
283.23953	32.8
290.18707	4.1
312.17343	1.4
347.20914	6.2
436.31934	1.7
601.39752	100.0
602.40277	4.9
645.42389	43.8
646.42328	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	646.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79581	0.2
57.12695	0.2
59.01378	0.5
61.98834	100.0
63.69387	0.2
66.33727	0.2
68.23330	0.2
68.72118	0.2
71.01413	0.4
71.44832	0.2
100.58503	0.2
113.61159	0.2
115.03405	0.2
128.03593	0.3
174.06287	0.2
218.33882	0.2
412.02924	0.2
646.35956	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36888	0.2
59.01382	0.6
60.09974	0.2
61.98837	100.0
67.04212	0.2
69.16028	0.8
69.16431	0.3
71.01389	0.4
82.95435	0.6
89.02447	0.4
98.49004	0.2
101.02448	0.3
106.46236	0.2
122.49521	0.2
140.79762	0.2
165.01993	0.3
179.03482	0.2
179.05582	0.2
231.68779	0.2
239.77644	0.2
324.08115	0.2
489.35556	0.2
646.34338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27407	0.5
61.98837	100.0
69.08714	1.0
69.09119	2.7
72.69173	0.5
83.69971	0.5
108.23961	0.5
191.38034	0.5
303.26022	0.5
370.03494	0.7
586.07654	0.6
663.90076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98835	100.0
63.99267	0.4
69.09068	1.7
70.83558	0.3
98.22638	0.5
141.78412	0.3
205.07884	0.3
284.03320	0.9
285.03818	0.7
299.05676	0.6
300.06042	0.6
323.49466	0.2
586.19183	0.3
592.80292	0.3
608.15002	0.5
610.29230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37215	1.4
57.03450	2.8
57.71775	1.4
59.01384	30.4
61.98820	5.5
62.96130	1.2
69.03456	11.3
69.29226	7.1
71.01386	20.5
73.02948	4.3
83.01385	2.4
85.02982	7.4
87.00862	5.9
87.04500	2.5
89.02457	11.9
95.01410	1.4
96.96017	2.5
99.00843	2.0
101.02443	14.7
103.79105	1.4
108.02203	2.7
109.02971	3.5
113.02462	25.0
115.03949	1.7
116.92866	3.5
119.03496	3.9
121.02953	2.2
123.04530	5.6
125.02484	2.2
131.03525	12.1
133.05074	2.5
135.04536	2.8
137.02429	2.0
145.02937	2.4
146.03670	1.5
147.04396	1.5
148.10481	1.7
149.24013	1.2
158.03661	1.5
159.04443	2.2
160.01707	1.5
161.02415	2.4
161.04523	1.6
172.05219	1.3
173.02408	4.1
174.03232	14.9
175.03957	1.9
176.01118	2.6
179.03464	1.6
188.04767	3.1
191.03522	2.8
195.06543	1.9
201.01875	1.2
202.02701	5.3
203.03477	2.7
209.05986	1.5
215.03441	2.5
217.05029	6.3
220.05368	1.5
222.06784	1.5
223.07687	2.4
229.05017	2.9
233.06050	3.5
235.07652	2.7
237.05597	5.6
247.07724	2.0
248.04784	1.6
249.05583	5.3
250.06319	5.2
251.07076	5.5
261.05634	3.1
262.06302	2.7
263.07147	6.8
264.07846	5.1
265.05103	14.8
265.08438	2.1
267.06824	7.2
268.07230	2.4
269.04520	1.6
275.03378	1.4
275.07645	9.1
277.05069	6.8
277.08453	2.1
278.05811	3.4
279.07001	11.0
279.09702	10.4
280.07407	6.4
281.08264	2.3
282.09012	2.5
290.05963	1.4
292.03912	2.2
292.07367	3.1
293.04590	11.2
293.08731	31.5
294.05356	5.3
294.08981	13.1
295.06149	3.0
295.09723	3.9
296.10315	1.7
297.11176	3.0
304.07153	1.7
305.04636	7.2
305.07620	1.7
306.05359	4.5
308.06949	23.6
309.07755	10.9
310.08279	1.3
313.06949	1.6
320.06894	6.3
321.07809	9.1
322.08337	2.7
323.05612	6.2
323.09235	63.6
324.06229	1.5
324.09659	5.5
326.08084	2.4
335.09131	6.7
336.09750	1.7
337.07034	2.9
338.08011	10.0
339.08798	9.2
339.12299	2.2
341.10464	2.9
351.12302	2.0
353.10324	89.9
354.01675	1.4
354.10507	4.6
364.09470	3.2
365.06781	3.5
367.11929	4.9
380.08926	9.2
381.09732	4.3
383.11407	2.6
395.06586	1.5
395.11386	26.0
396.11981	1.5
410.09857	1.7
425.12384	2.3
441.11853	3.7
443.13641	2.0
455.13434	2.8
505.11423	2.6
511.14572	7.1
515.15857	1.4
554.55847	1.4
617.18768	50.1
618.18927	3.8
629.18762	100.0
630.19092	7.0
647.19910	30.2
647.36084	2.3
648.20642	3.2
658.70319	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	647.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01863	4.3
59.01118	4.8
59.01375	27.0
61.82330	4.1
61.98831	53.4
67.54214	4.9
69.41468	22.7
71.01397	7.9
85.02923	6.3
87.00900	5.2
89.02440	6.4
96.96024	22.4
98.22662	9.1
98.46217	5.0
98.95602	4.4
101.02470	13.7
108.02180	5.3
109.02905	5.5
113.02471	8.9
121.02991	9.3
122.03739	10.0
133.02951	20.4
134.03767	43.3
135.04526	18.7
141.01735	9.5
147.04482	10.6
149.02405	24.4
149.06041	16.1
150.03235	90.6
151.04070	8.0
160.01656	20.3
161.02443	15.5
164.04800	7.6
165.05565	95.8
167.03558	8.5
175.04044	26.8
176.04811	37.2
177.01929	8.0
177.68073	4.6
178.02710	17.0
179.03471	11.0
180.04185	7.6
191.07150	37.7
193.05069	100.0
195.06613	65.0
235.06107	76.5
265.07172	6.1
282.09027	11.3
289.07269	5.1
295.08200	12.9
341.10324	55.5
383.11459	25.3
389.12448	77.0
431.13409	59.3
491.15457	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	647.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93685	1.2
59.01384	13.3
61.98837	1.6
69.64030	4.9
70.42864	1.2
71.01391	6.8
73.02961	2.4
80.67706	1.2
83.01353	1.2
85.02949	1.7
87.00851	1.8
89.02434	6.0
95.01376	1.4
96.96018	5.0
98.21882	1.5
101.02464	7.5
107.05030	1.9
108.02135	1.3
109.02934	2.1
113.02419	2.9
119.03456	2.1
122.03718	1.7
133.02968	20.6
134.03752	12.2
135.04536	100.0
136.04866	3.0
137.02477	2.1
145.07741	2.1
147.04547	1.4
149.02350	2.1
150.03233	7.0
151.04033	2.5
161.02460	61.8
161.04485	2.5
161.07201	22.8
161.08400	2.0
163.04027	2.1
165.01917	1.9
165.05560	11.2
167.03535	1.2
169.16197	1.2
175.04089	2.3
175.08769	6.0
176.04796	1.7
177.02023	1.5
178.02660	1.9
179.03513	81.7
180.04080	4.1
181.05011	1.8
187.08731	1.7
189.06741	24.1
191.07190	2.6
193.05077	9.1
195.06590	6.9
203.08282	7.9
225.07718	5.1
235.06123	3.1
270.58655	1.4
389.12430	14.9
467.16745	25.3
485.17990	6.2
486.18033	1.4
647.20984	52.7
648.21088	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	647.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93685	1.2
59.01384	13.3
61.98837	1.6
69.64030	4.9
70.42864	1.2
71.01391	6.8
73.02961	2.4
80.67706	1.2
83.01353	1.2
85.02949	1.7
87.00851	1.8
89.02434	6.0
95.01376	1.4
96.96018	5.0
98.21882	1.5
101.02464	7.5
107.05030	1.9
108.02135	1.3
109.02934	2.1
113.02419	2.9
119.03456	2.1
122.03718	1.7
133.02968	20.6
134.03752	12.2
135.04536	100.0
136.04866	3.0
137.02477	2.1
145.07741	2.1
147.04547	1.4
149.02350	2.1
150.03233	7.0
151.04033	2.5
161.02460	61.8
161.04485	2.5
161.07201	22.8
161.08400	2.0
163.04027	2.1
165.01917	1.9
165.05560	11.2
167.03535	1.2
169.16197	1.2
175.04089	2.3
175.08769	6.0
176.04796	1.7
177.02023	1.5
178.02660	1.9
179.03513	81.7
180.04080	4.1
181.05011	1.8
187.08731	1.7
189.06741	24.1
191.07190	2.6
193.05077	9.1
195.06590	6.9
203.08282	7.9
225.07718	5.1
235.06123	3.1
270.58655	1.4
389.12430	14.9
467.16745	25.3
485.17990	6.2
486.18033	1.4
647.20984	52.7
648.21088	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	647.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38210	0.9
57.03440	1.2
58.00588	1.1
59.01384	44.1
61.98840	9.9
69.87156	1.1
69.87503	3.0
71.01389	19.3
72.51823	0.9
73.02570	1.4
73.02954	23.2
83.01395	5.8
85.02954	3.5
85.06594	14.0
87.00851	1.3
89.02451	11.5
93.19991	1.0
95.05029	0.9
99.00899	1.0
101.02458	15.3
102.05614	4.0
102.29341	1.0
104.05048	4.9
106.06631	6.8
113.02438	6.7
113.06084	4.1
115.04029	6.3
119.03504	3.2
122.06133	1.4
125.02402	1.1
128.03549	3.7
134.06131	47.5
139.03961	1.6
146.04608	3.1
147.03293	1.2
148.04057	59.6
152.07172	2.6
157.05006	1.2
158.69594	1.0
160.04070	24.0
161.02603	1.3
161.04788	2.8
162.05615	3.3
174.05608	12.1
201.11255	1.6
209.11841	1.8
251.08305	1.4
265.06183	1.0
267.11395	16.1
279.07751	2.6
280.08752	1.1
295.10889	77.5
296.11234	4.8
309.12448	14.7
313.11880	2.7
314.12402	1.7
447.17715	1.7
457.16196	5.9
475.17276	32.3
476.17728	1.8
489.18814	58.7
490.19135	2.4
517.18304	100.0
518.18054	4.9
531.20081	3.3
587.30865	1.6
629.23810	4.1
646.34882	1.6
647.24670	66.1
647.35016	5.7
648.25385	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	647.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60923	0.5
55.01876	1.8
57.03443	2.1
57.29462	0.6
58.00599	0.8
59.01384	60.0
59.64322	0.5
68.99799	0.6
69.03453	2.5
71.01385	40.8
72.99322	0.9
73.02950	7.8
74.36876	0.5
75.00882	1.2
81.03463	1.8
83.00935	0.6
83.01397	7.9
83.04996	0.6
85.02954	8.8
87.00880	8.7
87.04518	0.6
89.02452	36.2
95.01420	2.7
97.02961	6.2
97.67728	0.6
99.00870	2.4
101.02451	36.3
103.04018	1.1
109.02962	0.9
109.52897	0.6
111.00806	0.7
111.04533	1.8
113.02457	18.5
115.04016	1.4
119.03512	10.7
121.02995	0.8
125.02453	14.5
129.92363	0.6
131.03503	1.4
133.05058	1.2
139.04001	1.7
143.03499	8.2
149.04514	1.1
161.04584	13.2
179.05612	6.4
185.04503	1.3
199.06247	0.9
203.05592	0.6
205.19643	1.3
217.07242	0.9
221.06645	1.7
228.84293	0.6
231.17502	1.2
235.08235	15.3
245.06673	1.5
247.17065	0.9
249.18610	100.0
250.18907	3.5
253.09306	8.2
263.07761	2.2
277.09155	1.1
287.07675	3.7
305.08807	3.6
323.09824	1.4
379.12454	1.0
397.13516	82.3
398.13782	2.2
415.14584	37.7
416.14978	0.8
459.82507	0.6
470.92462	0.6
541.02094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.4
56.00499	1.5
59.01387	66.8
61.98836	3.1
67.74932	1.8
69.03455	3.3
71.01393	38.5
73.02969	8.9
79.13534	1.5
81.03464	2.1
83.01384	7.5
85.02962	10.8
87.00903	9.4
89.02456	38.2
95.01424	2.6
97.02954	7.1
98.22694	4.0
99.00883	2.3
101.02451	34.6
106.28120	1.5
113.02463	16.0
117.19790	1.6
119.03528	12.1
125.02473	16.3
143.03494	5.8
161.04591	11.0
171.52975	1.6
177.49907	1.5
179.05701	8.9
221.06656	4.6
235.08319	14.6
249.18617	100.0
250.18996	3.9
253.09378	8.7
277.09073	1.6
287.07764	4.4
304.84467	1.7
305.08734	3.3
323.09854	2.9
326.38464	1.7
339.33716	1.4
397.13531	83.8
398.13577	2.4
409.42172	1.7
415.14517	34.7
456.54263	1.7
467.31897	3.0
485.32736	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	647.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
57.03452	1.2
59.01385	10.3
61.98838	28.1
67.53127	0.9
71.01385	6.8
73.02950	2.1
74.02473	1.4
82.02998	1.4
83.01396	1.4
84.04564	3.2
85.02963	4.7
87.00901	1.0
89.02449	2.5
92.52368	1.0
96.25327	1.0
96.95977	1.3
98.21810	2.0
101.02451	4.9
101.07211	2.9
109.04094	5.6
111.00890	1.4
112.04086	2.6
113.02454	2.4
116.92850	1.4
125.03541	3.0
127.05153	22.7
128.03539	9.4
129.01913	0.9
131.03546	1.2
145.06210	44.4
149.04581	2.0
179.36797	1.0
191.05586	1.6
197.40909	1.0
244.68909	1.1
308.41699	0.9
338.26538	1.1
339.25406	3.2
353.09717	0.9
423.32428	2.4
449.27652	3.8
462.66183	0.9
501.30695	12.8
629.36542	1.6
647.37683	100.0
648.38446	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	648.158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
65.73744	0.2
69.30047	0.2
69.34866	0.6
69.35281	0.5
71.01377	0.3
93.03455	1.5
101.02465	0.2
108.02176	0.2
116.05090	3.3
123.76103	0.2
132.04590	0.5
133.02972	0.4
135.04539	0.3
137.02457	1.6
137.34502	0.2
147.04657	0.2
159.03246	1.0
160.04062	100.0
161.04408	2.6
177.02077	0.2
191.05583	1.2
193.05067	0.4
204.03053	1.1
237.64384	0.2
269.59589	0.2
280.06253	0.3
281.06775	1.7
366.08102	0.3
411.83633	0.2
442.11517	4.5
443.11777	0.2
456.12708	0.3
486.10425	4.8
487.10657	0.3
528.11206	0.4
604.16522	1.7
648.15796	8.6
649.16193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58767	0.2
51.25517	0.2
59.01379	2.0
61.98835	100.0
62.07394	0.2
71.01384	1.2
71.44035	0.3
73.02954	0.4
74.02491	0.3
75.47311	0.2
79.49703	0.2
82.95435	0.3
84.04590	0.3
85.02981	0.7
89.02468	0.7
101.02450	1.0
102.05618	2.0
113.02456	0.3
116.92899	0.3
119.03457	0.3
121.59180	0.2
128.03540	2.5
135.04543	0.6
145.06198	0.5
146.04619	1.2
161.02486	0.4
179.03574	0.3
517.30194	0.5
521.75519	0.3
527.10284	0.3
648.36176	5.6
649.36182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38844	0.4
55.01872	1.0
55.54533	0.4
57.03450	1.3
59.01122	0.6
59.01385	8.0
61.98837	11.7
67.42609	0.4
69.27502	0.9
69.27898	1.5
71.01389	6.8
73.02950	3.4
74.02464	0.9
83.01382	2.6
84.04540	1.7
85.02953	4.8
86.00123	0.5
87.00877	1.3
89.02441	1.2
95.01424	0.7
97.02985	0.6
99.00883	1.1
101.02445	6.9
102.05618	42.8
104.91460	0.4
111.00896	0.7
113.02447	2.4
115.03196	0.4
116.92825	0.4
121.02968	1.6
128.03551	53.8
129.03877	0.8
135.04500	1.0
135.58820	0.4
143.10751	0.7
146.04607	37.9
147.04901	0.6
148.04060	0.8
149.04518	0.5
157.18405	0.4
159.02994	0.4
161.02440	0.4
168.68369	0.4
191.05623	0.6
313.27426	0.6
339.25302	2.4
352.66956	0.4
357.26801	0.5
432.56305	0.4
484.08020	0.5
501.30743	6.5
517.29730	0.7
519.31848	6.7
520.31964	0.6
604.37238	0.8
630.35083	3.8
648.36053	100.0
649.36218	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	649.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60337	0.4
57.03452	1.0
59.01376	0.6
62.31755	0.6
64.28889	0.4
65.00330	1.4
68.99809	1.3
69.47292	2.3
78.95895	1.9
83.01389	5.1
93.03473	1.3
96.96021	11.5
96.96954	3.2
97.92410	0.5
101.22234	0.5
107.01397	1.8
109.02930	3.1
113.65683	0.6
122.03719	1.1
123.04535	5.5
125.02448	9.6
129.01907	0.5
135.04466	1.1
137.02438	5.6
137.05997	0.5
139.04018	1.0
151.00386	10.3
151.04005	12.6
151.05220	0.6
152.00795	0.6
153.01944	100.0
154.02252	3.2
155.02359	0.9
161.02457	1.5
163.04012	2.6
164.01164	3.4
165.01907	1.6
167.03523	1.0
179.03511	1.4
181.05096	1.2
201.05524	0.6
245.04539	1.8
283.00098	3.1
289.07254	0.9
305.06693	5.8
325.01077	3.3
343.02264	21.3
343.10367	1.7
344.02548	0.8
345.00122	6.9
483.51572	0.5
497.05234	0.8
596.54651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05434	0.1
56.09091	0.1
59.01383	0.2
59.24881	0.1
68.26907	0.2
71.01387	0.2
78.95913	13.1
79.95743	2.9
89.02476	0.3
96.96025	100.0
96.96944	19.5
101.02467	0.2
118.96637	0.4
119.03485	0.2
132.98242	0.2
156.98184	0.4
160.97722	0.2
179.05693	0.2
217.00311	0.8
244.08382	0.2
247.01346	0.2
258.85861	0.2
277.02545	0.4
293.08865	0.7
313.02417	0.3
317.08664	0.4
335.09927	0.2
347.09763	0.2
373.04657	1.0
433.06714	0.3
649.14410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58558	0.2
52.42092	0.2
59.01397	0.3
61.28985	0.2
71.01398	0.2
78.95911	14.6
79.95741	2.9
80.65755	0.2
85.02984	0.2
89.02475	0.2
96.96022	100.0
96.96944	21.5
100.26532	0.2
111.04546	0.2
118.96647	0.4
132.98224	0.2
156.98192	0.5
160.97734	0.4
186.99133	0.2
210.68141	0.2
217.00237	0.8
259.13031	0.2
277.02420	0.5
293.08731	1.0
313.02408	0.2
317.08838	0.4
347.09747	0.2
373.04391	1.3
391.05530	0.3
429.45905	0.2
540.69611	0.2
545.84955	0.2
649.14069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81986	0.3
59.01389	0.7
71.01380	1.0
78.91902	0.4
78.95913	32.6
79.95749	3.5
81.00934	0.3
89.02493	0.4
92.19868	0.3
96.96021	100.0
96.96967	48.5
101.02443	0.3
111.04552	0.4
113.02451	0.7
118.96635	1.2
156.98196	0.7
159.97066	0.3
160.97714	0.8
210.99469	0.3
217.00352	1.8
226.98842	0.3
229.00217	0.3
255.01993	0.4
264.57068	0.3
275.07693	0.4
277.02460	0.9
283.34393	0.3
293.08762	1.9
313.02390	0.5
317.08765	0.9
347.09900	0.4
373.04523	3.8
376.83951	0.3
391.05499	0.5
433.06442	0.3
649.13715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.9
61.98832	1.1
71.01395	2.4
73.02929	2.2
85.02969	3.6
87.00919	1.8
89.02447	2.0
93.03470	1.3
96.96034	2.4
101.02470	2.0
101.56227	1.1
113.02453	2.4
115.04053	1.2
117.03452	1.5
119.05025	2.8
132.02271	2.5
133.02974	26.0
134.03780	1.3
135.04533	49.1
136.04901	1.2
136.71526	1.1
149.00960	2.3
149.06041	1.8
160.01729	3.0
161.02455	100.0
162.02844	1.9
163.04031	5.7
175.04086	1.5
177.05626	3.5
178.02725	3.2
179.03508	70.4
180.03990	1.5
191.05663	4.3
191.71489	1.2
193.05048	3.3
203.03564	2.0
208.65399	1.2
221.04613	3.9
222.25853	1.2
281.06714	3.7
286.51334	1.2
293.08786	1.5
294.21600	1.3
323.07745	4.3
341.08798	57.9
342.09158	2.3
403.05579	1.2
403.10529	1.3
487.14609	33.9
529.15741	2.6
579.75079	1.3
649.20026	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	649.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13783	0.6
59.01387	4.9
62.64935	0.6
71.01379	5.4
71.41109	0.6
73.02953	2.7
81.03468	1.2
83.05033	1.1
85.02943	5.3
85.42068	0.8
87.00895	1.7
89.02473	1.5
95.01373	0.9
96.96029	1.3
97.02958	0.9
99.00896	1.3
99.04575	1.1
101.02444	3.6
105.03473	0.7
109.02956	1.4
113.02461	2.9
115.04031	2.3
117.03424	0.9
119.03468	1.0
121.02968	1.5
125.02464	1.9
127.04027	2.4
131.03476	1.7
131.74925	0.7
132.02180	1.8
133.02968	30.1
134.03731	1.5
135.04543	24.0
137.02470	0.7
143.03525	1.9
145.05101	2.7
149.06178	0.7
160.04007	0.8
161.02458	100.0
161.04596	3.8
162.02873	1.6
177.05612	1.9
179.03513	27.3
179.05603	2.8
191.05659	1.8
203.03523	4.3
205.07288	2.3
221.04590	0.9
246.99438	0.8
248.25983	0.7
253.03467	0.9
300.79147	0.8
341.08786	2.5
367.12524	15.2
427.14560	1.4
487.14944	3.7
529.15643	2.9
541.82019	0.8
548.56586	0.8
559.16980	1.2
589.17725	2.5
649.19751	19.6
650.20435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01121	0.4
59.01389	5.7
69.03449	0.3
71.01399	3.4
73.02951	1.7
83.01373	0.5
85.02973	2.7
87.00904	1.4
89.02455	1.4
89.03984	0.3
93.03468	0.4
95.01418	0.7
96.96008	0.8
101.02464	2.7
103.04042	1.3
105.03497	0.7
108.02168	0.6
109.02946	1.2
113.02458	3.5
115.01852	0.3
115.04089	0.3
117.03487	0.5
119.03559	0.4
123.04565	0.4
131.03529	1.2
132.01329	0.3
132.02173	1.8
133.02975	28.6
134.03745	0.5
135.04546	12.5
143.03508	0.5
147.04536	0.3
149.06107	0.7
155.33321	0.3
161.02466	100.0
162.02832	1.9
163.04021	0.5
163.06134	2.0
171.04582	0.3
173.06056	0.8
175.04036	0.9
177.01906	0.5
177.05602	0.9
179.03516	14.1
180.03821	0.3
189.05608	1.0
191.05675	2.3
192.06044	0.3
201.05582	1.1
203.03539	3.2
205.07231	0.5
217.05104	1.9
221.04530	1.6
233.04634	1.7
234.69710	0.3
245.04573	8.8
251.05630	1.0
265.09494	0.3
281.06741	1.6
305.06741	2.1
323.07629	1.8
325.11612	0.5
341.08966	1.6
351.06973	0.3
367.12320	0.8
427.12708	0.4
469.13486	1.8
487.14981	1.5
529.15704	3.7
631.19067	0.6
649.19897	5.5
651.07086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.5
59.01390	7.0
61.98838	5.7
65.69123	1.0
68.09338	1.1
71.01376	3.5
73.02950	3.4
75.00864	2.5
81.23024	1.1
83.01396	2.8
85.02949	1.9
87.73044	1.0
90.93319	0.9
96.96030	2.5
101.02448	4.5
108.02231	1.9
109.02938	5.5
113.02441	2.2
115.92133	1.2
120.99629	2.8
121.02958	6.8
122.03715	3.7
123.04517	4.2
123.30545	1.1
125.02448	3.2
126.90471	1.7
132.02193	1.1
132.80815	1.1
133.02954	4.4
134.03720	1.3
135.04553	6.0
136.05310	8.9
137.02415	1.6
137.06094	2.1
147.04611	1.7
149.02464	23.8
149.06042	1.6
150.03238	39.8
151.04050	9.6
151.07683	1.5
161.02484	7.3
163.04018	2.7
164.04831	9.4
165.05585	37.9
175.03990	1.1
177.01991	2.6
179.03481	3.2
180.04250	4.0
181.05064	4.3
189.01955	2.1
190.02849	1.2
191.03503	1.4
193.04974	1.4
195.04999	2.0
195.06650	25.5
204.04257	1.9
217.01454	2.2
219.06665	2.1
223.06059	1.2
231.03008	1.4
237.07700	2.2
253.04489	1.3
269.08502	1.1
283.09799	3.6
289.07199	2.0
308.10538	1.9
311.09341	7.0
323.12878	2.2
325.10822	4.2
341.06638	4.9
343.11899	49.3
357.13553	2.5
367.11819	10.1
370.10349	1.6
373.12888	2.5
385.12750	3.2
391.14014	100.0
392.14319	4.1
415.14005	4.8
433.15109	5.5
451.10742	5.8
514.88483	1.2
613.15503	5.3
649.19141	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	649.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47863	1.3
57.03444	1.1
59.01395	6.7
61.98825	7.6
69.80608	3.5
71.01394	3.5
73.02955	4.4
74.19081	1.2
75.00876	2.5
82.95465	1.1
83.01409	3.3
87.00928	1.4
88.68476	1.1
93.03480	1.6
96.96043	2.4
101.02466	5.0
108.02176	1.4
109.02974	6.8
113.02480	1.8
116.92868	1.6
120.99660	3.3
121.02953	4.9
122.03753	3.6
123.04532	5.3
125.02446	3.2
132.02205	1.4
133.02959	3.2
134.03719	2.5
135.04550	5.8
136.01646	2.1
136.05357	8.7
137.02438	1.9
149.02452	20.8
150.03227	38.4
151.04022	9.6
161.02451	7.3
161.06108	1.2
164.04822	7.3
165.05583	33.2
177.01973	1.8
179.03459	4.2
180.04228	1.5
181.05063	7.0
189.02000	2.9
191.03569	1.7
195.06651	26.9
207.06534	1.1
217.01340	1.6
219.06639	1.9
270.09079	1.2
283.09781	3.1
305.04590	1.3
311.09238	7.4
323.13058	2.1
325.10730	1.9
341.06628	5.6
342.06891	1.2
343.11853	50.7
344.12408	1.3
357.13464	3.1
367.11948	9.8
373.12851	3.1
385.13007	5.1
391.14008	100.0
392.14282	3.6
415.13794	5.4
433.14987	5.1
451.10474	6.3
451.15659	1.7
476.19913	1.4
493.17194	1.8
503.12042	1.2
613.16156	1.9
649.19403	3.7
677.88367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24325	0.7
57.03451	9.6
59.01378	6.3
60.73058	0.8
61.98842	5.0
67.01902	2.2
68.65582	0.7
69.37826	4.0
69.89480	0.7
71.01394	6.7
73.02950	1.3
77.83544	0.7
83.01397	1.0
85.02960	67.0
87.00887	34.0
89.02460	3.1
90.53493	0.7
93.03460	1.2
96.96041	2.3
101.02479	3.6
108.02209	1.1
109.02954	1.1
111.00898	57.8
113.02463	3.3
116.92887	1.6
119.03533	0.8
121.02982	2.0
122.03756	1.8
128.03595	2.1
129.01987	9.2
132.04588	1.2
133.03001	1.2
135.04510	1.8
136.01685	37.7
137.02408	2.2
149.06099	1.0
151.04033	69.1
152.04434	1.1
155.10724	0.9
160.04085	1.3
161.02533	1.5
161.04550	4.0
163.04041	0.8
175.07631	1.6
177.01978	9.4
177.05582	1.2
179.03564	1.4
179.05585	1.0
191.05627	1.6
251.40488	0.7
285.04178	1.2
342.11188	3.1
357.13467	100.0
358.13800	4.6
403.33398	0.7
460.03867	0.8
517.29956	1.7
519.18695	2.8
624.41449	0.9
649.24243	0.9
650.20239	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39623	1.3
56.86855	1.3
58.02972	5.0
59.01377	3.9
62.04000	1.2
68.99818	3.0
69.79526	1.4
70.02988	5.9
72.04549	2.3
74.02479	37.2
80.05061	4.2
83.36080	1.3
85.06599	4.3
89.33806	1.4
96.96037	8.1
98.02479	7.7
104.35446	1.2
109.02980	3.0
109.40414	1.6
116.03561	9.9
116.05080	14.9
119.05055	1.6
122.06123	3.5
123.04602	1.8
125.02453	2.8
132.04567	24.2
134.03763	1.6
135.04579	3.3
137.02477	2.7
138.61775	1.4
142.06615	2.3
147.04526	2.3
148.77498	1.5
150.03264	1.5
150.05608	7.2
152.07191	13.1
158.02260	1.4
159.09283	3.5
161.02455	6.1
165.02014	1.7
165.05571	2.2
165.17984	1.3
167.03433	1.7
179.03590	3.3
193.05142	2.0
197.08209	2.3
201.10350	3.5
203.08299	38.5
204.08562	1.7
245.09340	100.0
246.09691	3.0
289.07266	8.2
297.12460	15.6
315.13535	14.1
341.06406	1.5
359.12396	7.9
487.12607	2.3
649.20227	1.8
677.87109	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	649.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	18.2
57.10933	0.7
59.01387	8.3
61.98826	1.7
69.52428	3.0
71.01372	2.0
73.02938	3.0
87.00875	0.7
89.02432	1.0
99.04523	2.4
101.02443	3.6
107.04998	0.9
107.70805	0.7
114.88280	0.7
118.04269	1.5
125.02430	1.3
145.02943	2.4
146.25475	0.9
148.01640	1.0
161.02449	2.0
161.04529	1.1
162.03204	3.0
171.08128	1.1
177.01942	1.3
185.06044	1.1
187.07635	1.4
189.01942	4.2
190.02734	15.3
199.07643	11.5
201.01932	2.5
201.05644	1.1
203.03476	2.7
204.04317	1.0
206.02200	0.8
213.09111	0.8
215.07132	2.0
222.01649	5.7
224.27112	0.7
225.05565	1.0
227.07169	1.4
229.05107	3.6
230.05771	1.8
243.06631	72.8
244.07375	11.7
255.06586	2.1
257.08279	5.9
258.08990	1.1
269.04550	1.2
310.12091	0.9
311.12933	13.8
312.13675	20.1
313.14178	2.8
325.14392	1.9
327.12344	2.7
327.15948	13.6
328.13037	1.9
328.16568	0.9
329.13943	16.2
338.86221	0.7
343.15677	1.6
355.15881	0.7
357.13470	3.7
371.14914	1.8
473.18246	2.3
487.19833	2.0
490.18396	2.9
491.19144	1.4
505.20837	100.0
506.21173	5.9
532.19525	1.7
547.21893	96.2
548.22278	5.8
587.25073	21.0
649.25122	18.4
649.37115	2.1
650.25507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.28
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23989	0.4
70.24316	0.3
87.50572	0.2
112.67551	0.2
114.26688	0.2
118.04246	0.5
132.02174	0.4
145.02930	0.3
161.02444	0.4
162.03116	0.2
172.09038	0.3
181.06573	0.2
185.06122	0.9
189.01967	1.7
190.02696	1.8
198.06880	0.7
199.07660	14.8
200.08218	0.6
201.05681	0.2
202.96254	0.2
203.03468	1.5
216.07765	0.2
222.01624	0.4
225.05623	2.1
226.06319	0.9
227.07146	2.8
229.05075	5.5
230.05849	0.7
231.01692	0.2
243.06631	16.3
244.07390	6.5
245.07803	0.2
276.06360	0.5
291.30078	0.2
313.14468	100.0
314.14816	4.6
518.19537	0.2
526.56342	0.2
528.20612	0.2
577.41248	0.2
649.27649	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	650.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
59.01387	4.5
61.98823	1.4
63.02399	0.5
65.00324	2.1
68.40696	0.5
71.01394	2.4
72.99301	1.0
73.02922	0.4
81.15406	0.5
83.01427	0.6
85.02960	1.2
89.02444	1.1
91.01907	11.7
95.01419	0.8
96.96007	0.5
97.02947	0.5
99.00906	0.5
101.02433	1.0
108.02182	9.9
109.02979	3.8
111.00878	1.6
113.02456	1.9
116.05029	1.3
118.02985	1.8
123.00861	0.6
123.04538	36.3
124.01693	1.0
124.04850	0.6
125.02448	1.1
130.06639	1.7
131.03636	0.6
132.04570	0.9
133.03050	0.5
135.04559	0.8
144.04562	20.1
145.04984	0.6
146.02493	8.5
146.06146	1.0
152.01157	8.3
153.01959	5.4
157.05351	0.8
158.06125	5.5
159.03175	0.5
160.04082	1.2
161.02475	1.0
162.05630	1.1
165.05545	0.6
166.02660	0.5
167.03510	100.0
168.03897	1.5
170.06158	2.1
172.04028	1.1
172.07697	1.4
174.05612	2.6
177.01888	0.7
177.97742	0.4
179.03487	1.2
184.07642	1.2
186.05626	1.9
186.11368	0.6
188.03519	0.5
188.07146	0.5
194.06108	0.5
196.04071	0.6
198.05597	1.9
200.07191	2.1
206.04616	1.3
212.07210	1.8
214.04924	0.6
216.06674	4.6
225.04446	0.7
228.06676	3.1
230.08240	1.5
239.05655	1.3
240.06679	1.9
268.42419	0.6
288.08850	0.8
299.07724	1.9
305.44412	0.5
308.07751	0.5
330.09918	5.0
341.06494	0.6
342.07043	0.6
350.08914	0.6
422.11142	2.5
438.13989	1.1
452.10800	1.2
464.12033	1.9
482.13248	2.3
498.14090	4.7
576.13727	3.5
590.15472	3.4
632.16089	4.5
650.17139	14.7
651.18256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19948	1.0
55.01890	1.4
58.00602	1.6
59.01384	87.5
61.98827	2.1
69.03458	10.0
69.63481	4.0
71.01389	75.5
73.02956	12.4
73.79259	1.1
75.00878	2.0
81.03468	3.8
83.01401	5.0
85.02956	10.1
87.00874	2.8
89.02454	100.0
93.03458	1.3
95.01418	2.4
96.96085	1.1
97.02962	14.4
99.00882	17.4
99.04534	2.1
101.02452	16.0
105.01913	1.2
108.02148	1.7
109.02969	1.6
111.00887	2.7
113.02434	8.1
115.04002	9.0
116.92867	1.3
119.03527	2.5
121.02941	2.4
122.03786	1.7
123.00863	1.3
125.02460	55.1
127.04033	1.6
131.03522	14.2
133.03029	1.8
134.03720	2.0
135.04581	2.5
136.01675	28.9
137.02486	1.3
143.03528	4.0
147.72371	1.1
149.04575	19.6
150.00488	1.2
151.04019	26.0
155.03458	1.5
161.04547	2.9
165.05521	1.6
174.98846	1.2
175.04160	1.4
179.03532	2.2
191.05630	14.4
233.06671	49.5
234.07101	1.1
243.02954	1.8
255.02969	2.1
271.02405	3.1
293.08810	62.5
294.08893	1.3
300.02792	4.7
301.03568	1.4
329.13892	1.3
357.13583	5.9
453.21359	1.2
651.16553	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	651.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
57.03441	3.2
58.69665	1.4
59.01388	14.9
61.98828	3.0
71.01385	17.7
71.41946	1.4
73.02950	5.0
83.01387	3.1
85.02954	6.9
87.00890	2.2
87.04506	1.6
89.02444	9.0
95.01386	1.7
97.02989	1.7
99.00936	2.1
101.02460	9.8
108.02187	2.2
109.03009	1.7
113.02456	8.1
119.03493	1.7
121.02971	5.7
122.03785	3.1
123.04465	2.2
125.02449	2.6
131.03494	8.9
131.04483	1.8
132.04536	2.7
133.44293	1.3
134.03773	2.6
135.04526	3.0
136.01671	66.1
137.02444	3.2
147.04521	3.0
148.69887	1.2
149.06058	1.6
151.04019	100.0
158.16219	1.3
159.04431	1.9
160.04060	2.7
160.05264	2.0
161.02463	1.8
161.04536	6.9
162.03148	1.6
163.04008	1.5
165.05569	1.8
175.03990	2.1
176.04808	3.8
177.05600	2.4
179.03534	1.4
191.07138	2.2
193.05128	3.1
195.06659	2.0
221.06636	1.4
223.65996	1.3
273.03732	1.3
294.08939	1.8
311.12750	1.3
327.12311	7.2
339.12308	3.8
342.10919	3.4
345.13358	2.7
357.13467	92.2
358.13892	3.7
383.07401	1.3
435.13684	1.5
489.17896	1.8
621.22198	2.4
633.21777	2.7
651.23175	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20471	1.2
57.03453	15.4
58.28454	1.2
59.01389	8.8
69.49699	2.6
69.50088	2.9
71.01385	2.0
73.02959	2.3
84.81326	1.5
99.04538	4.0
101.02477	3.3
120.64359	1.4
126.97591	1.3
145.02933	3.6
162.03201	2.3
162.92720	1.5
184.81841	1.3
189.01936	5.1
190.02754	13.7
199.07686	9.2
201.01889	1.9
203.03557	2.2
215.07182	1.5
222.01678	3.7
227.07143	1.9
229.05067	3.6
230.05952	2.5
243.06619	54.1
243.09126	2.7
244.07425	9.5
257.08231	5.9
269.04562	11.0
270.04919	2.5
287.09204	3.7
299.13162	1.6
313.14478	17.1
314.15240	1.9
329.13776	3.7
331.15485	19.6
345.16855	1.9
359.15195	9.2
373.16638	5.6
417.65198	1.5
475.19717	4.5
489.21146	2.1
492.20050	4.1
507.22372	100.0
508.22696	4.2
549.23431	83.6
550.23608	5.2
589.26648	21.5
651.26849	16.2
651.36835	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	651.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	57.2
61.98835	12.2
70.99979	3.1
71.01398	33.8
71.41484	2.9
83.01414	3.2
85.02948	2.9
87.00916	3.1
87.87521	3.3
89.02464	42.0
101.02462	21.8
108.02161	14.3
111.00889	4.0
113.02470	18.9
116.92896	6.1
119.03500	25.3
119.28144	2.7
121.02955	3.9
123.00897	9.0
123.04553	9.1
124.01735	6.5
133.03011	3.9
136.01698	4.6
143.03569	4.0
150.03195	3.7
161.02460	3.9
161.04558	9.5
165.05568	3.4
179.03575	4.5
179.05617	25.6
191.05658	3.7
216.99098	3.2
272.06992	9.9
287.09344	25.8
317.10208	19.6
350.94864	2.7
435.23972	10.3
491.15756	3.0
519.31030	3.3
521.16486	6.4
615.30280	100.0
616.30615	10.8
651.27734	35.7
652.28339	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99007	1.3
57.03427	1.6
59.01385	69.7
61.98839	15.4
66.67202	1.4
69.03461	16.6
71.01387	34.8
72.99306	2.2
73.02931	4.8
82.95373	1.8
83.01375	2.4
83.05020	2.4
85.02961	9.8
87.00884	4.3
88.98794	1.8
89.01949	1.8
89.02456	29.5
93.74136	1.2
95.01373	2.7
96.95995	4.5
98.21909	4.2
101.02454	28.5
111.04488	1.7
112.01660	5.3
113.02457	43.7
116.92841	4.2
119.03507	12.4
121.02989	2.8
125.56184	1.4
128.03531	1.4
131.03508	3.3
131.16467	1.3
134.69553	1.2
135.04486	3.1
137.02463	1.5
148.03993	2.2
149.04518	1.3
155.03523	1.2
161.02493	1.7
161.04512	1.3
162.90059	1.2
177.01955	1.6
179.03503	1.9
179.05615	1.5
183.13829	1.7
191.05544	2.6
195.13902	16.4
213.14909	8.4
243.23201	1.6
268.34036	1.4
274.10934	1.6
275.07697	8.4
293.08673	4.7
339.25259	4.2
357.18893	3.8
357.26456	2.2
375.20258	100.0
376.20508	4.5
381.76486	1.5
471.22202	4.8
519.20410	3.2
519.31793	14.6
630.02991	1.3
651.28558	89.5
652.29388	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	651.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47012	0.4
55.01878	0.7
55.27178	0.4
57.03449	0.8
59.01387	13.3
61.98835	2.4
69.03462	0.4
71.01392	8.3
72.99317	0.6
73.02951	1.8
83.01394	0.7
85.02940	2.6
87.00882	5.1
89.02455	4.2
95.01425	0.4
99.00876	0.6
99.33192	0.4
101.02452	5.3
102.05613	0.7
103.00386	0.4
109.02989	0.4
112.98824	1.2
113.02465	2.4
116.92854	0.9
119.03510	1.9
121.02967	0.6
125.02422	0.5
127.71535	0.4
128.03542	0.9
130.99870	0.6
131.03603	0.6
132.04546	0.5
135.04547	0.9
135.31297	0.4
137.02547	0.5
148.04092	0.4
149.00934	0.5
161.02425	1.1
174.39468	0.5
177.01901	0.5
179.03531	0.6
179.05605	0.4
181.12422	0.4
191.05496	0.4
225.11394	0.4
255.23631	0.4
275.07773	0.9
311.22391	1.8
327.21780	0.4
339.25412	2.8
349.00861	0.4
357.26498	13.6
358.26764	0.8
476.13339	0.4
501.30777	2.6
519.31775	100.0
520.32062	5.1
650.37793	0.5
651.33069	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	651.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09577	0.2
69.45349	0.8
98.21918	0.6
112.18468	0.2
197.02240	4.2
202.95885	0.2
216.65398	0.2
227.55045	0.3
355.17227	0.3
453.33749	100.0
454.34100	7.3
454.39282	0.2
468.08209	0.3
469.33646	0.3
629.53418	0.3
651.36652	7.7
652.37219	0.6
680.90564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	2.0
71.42583	1.0
73.13873	1.0
91.47077	1.1
106.82677	0.9
116.92855	1.2
129.36267	0.9
160.53362	1.1
197.02238	7.2
231.37788	0.9
453.33768	100.0
454.34134	6.3
580.34332	1.0
651.36719	16.7
652.37421	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	651.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28459	2.0
67.05526	3.4
69.77912	4.9
71.05022	3.2
73.89365	2.0
95.50278	1.8
96.12218	2.3
96.72753	1.9
96.96018	2.8
116.07180	31.5
121.70460	1.8
122.47365	1.9
125.03539	2.6
129.10352	7.2
130.08746	3.5
140.07129	3.0
143.11971	4.4
144.10321	22.9
144.11371	3.5
170.46057	1.9
177.07632	2.1
180.10440	2.3
182.10617	12.5
198.11258	3.0
208.13521	3.7
210.15009	6.7
225.16104	54.4
226.16615	2.4
278.33969	2.2
281.22101	3.0
325.21362	100.0
326.21756	4.2
343.22302	13.2
370.01749	2.5
424.28223	5.5
442.29083	15.0
456.30862	2.5
650.14496	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	652.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47091	0.9
57.03440	1.3
59.01383	16.7
61.98831	14.7
71.01385	5.7
72.99334	6.0
73.02946	7.0
75.00826	1.3
83.01354	2.6
85.02941	4.1
85.03407	1.0
86.89491	1.1
87.00882	19.6
87.04510	5.9
89.02450	3.6
93.03465	1.7
95.05009	1.7
97.02945	2.5
101.02443	8.1
103.00346	2.9
109.06589	2.6
111.04501	1.4
111.08189	2.1
111.26050	1.0
112.98764	2.1
113.02448	3.0
116.92847	1.8
118.06656	1.3
119.03428	1.4
121.02953	2.5
123.04548	3.6
125.02457	1.9
125.06071	1.3
130.99902	1.7
131.03654	1.1
132.04567	64.3
133.02980	2.7
135.04510	6.8
137.06097	2.1
138.73573	1.2
149.00928	29.5
150.05612	15.1
160.03981	1.6
161.02399	2.9
161.09688	1.3
162.05632	5.3
163.05959	2.3
163.11282	5.4
163.72597	1.0
177.01863	1.4
179.03572	5.2
179.05620	1.0
181.12337	18.0
195.13907	1.4
207.10237	1.5
223.13408	6.5
225.11328	100.0
226.11688	1.8
231.10271	3.4
233.24718	1.2
249.11298	5.3
263.12906	3.9
267.12399	18.3
291.12390	12.4
297.13464	6.1
309.13501	2.9
327.14526	29.3
369.15466	8.0
387.16644	14.8
454.25284	2.2
490.16537	1.7
502.20944	7.1
520.21936	72.0
521.22162	6.6
616.31616	1.9
652.21606	2.0
666.02802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.6
61.98835	0.6
64.77859	0.2
66.36443	0.2
68.39654	0.3
69.21533	1.9
71.01381	1.2
72.13901	0.3
73.02962	0.4
75.00893	0.3
81.03469	0.6
84.99335	0.3
85.02948	0.7
87.00893	2.4
89.02439	0.8
89.03979	1.6
90.33043	0.3
93.03473	0.5
95.04991	0.3
96.96029	0.6
97.02927	0.5
101.02455	1.1
105.03485	2.8
109.02937	0.4
112.98824	5.2
113.02463	0.5
116.92863	0.8
121.03009	0.5
121.85979	0.3
130.99930	0.3
132.04524	0.8
133.02971	8.0
135.04533	0.8
136.01651	0.7
136.90808	0.3
137.02486	0.7
139.04045	0.5
146.96336	0.3
149.00919	0.4
149.02419	0.9
151.04008	0.7
155.10791	1.6
161.02553	0.5
161.04669	0.3
177.01944	100.0
178.02313	2.0
179.03517	0.6
179.05582	0.4
191.05667	0.6
199.09781	1.5
213.05594	1.0
225.11339	0.8
226.11739	0.4
231.98207	0.3
241.05086	7.3
256.07407	4.9
271.09784	10.5
280.19196	0.3
285.03897	0.4
319.11838	3.4
343.13947	0.7
463.15915	0.3
520.21631	0.3
521.16449	5.1
521.29315	0.5
522.17279	0.5
615.29926	0.3
653.28394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03433	0.4
59.01383	3.0
61.98814	0.9
71.01392	2.0
71.44092	0.4
73.02946	1.1
81.03436	0.6
83.35216	0.3
85.02943	0.6
87.00900	2.2
89.02450	0.8
89.03972	2.1
90.21649	0.3
93.03439	0.4
95.05017	0.4
101.02459	1.3
103.00402	0.3
104.02686	0.5
105.03462	3.2
108.02175	0.4
109.02949	0.7
112.98820	1.3
113.02492	0.8
116.92885	2.3
121.02968	0.3
123.04522	0.9
130.99858	0.6
132.04549	0.3
133.01970	0.3
133.02962	8.7
134.03394	0.3
135.04558	1.5
137.02501	0.7
145.03003	0.3
149.02451	0.8
151.00404	0.3
153.05609	0.5
155.10756	1.6
160.04024	0.4
161.02495	0.4
161.04562	0.3
161.09830	0.4
176.01151	0.6
177.01942	100.0
178.02299	2.0
179.03481	1.4
191.05605	0.5
318.92535	0.3
491.28741	0.4
521.16644	28.6
522.16901	1.5
593.30389	0.4
615.30719	0.8
617.31073	0.5
652.33099	0.6
653.17731	0.9
653.36127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70839	0.9
54.16843	0.8
55.01872	0.7
59.01382	20.0
71.01385	9.1
72.99291	0.8
73.02955	1.0
83.01390	1.1
85.02983	2.3
85.06590	0.9
87.00891	1.5
89.02451	8.4
93.03494	1.1
94.06602	0.9
96.95988	0.9
99.00887	2.2
101.02462	6.1
105.01938	1.7
106.06652	3.3
111.00894	1.8
113.02486	3.6
118.06699	0.8
119.03503	2.3
120.04516	0.8
122.06136	1.5
132.04568	3.4
133.03003	1.4
134.06129	23.5
135.04567	1.7
136.07678	2.8
137.02507	1.5
140.10800	0.8
141.68231	0.7
146.06119	3.2
148.04111	1.3
148.07643	0.7
149.04691	0.8
152.07169	2.1
161.02443	1.3
162.05605	4.3
164.07191	2.4
168.25151	0.8
174.05598	2.9
176.07280	0.9
179.03481	1.6
191.05637	6.2
192.06682	42.1
193.07141	1.0
194.26930	0.7
200.26712	0.8
204.04620	1.1
204.06641	10.7
236.71794	0.9
253.13443	1.1
257.11481	1.4
279.11371	1.2
281.13092	3.2
299.05655	3.1
314.12457	2.4
339.13470	5.4
436.30103	0.8
461.10925	3.5
489.18954	5.9
489.85739	0.9
491.20203	0.9
501.18759	1.5
503.20050	1.0
519.19879	100.0
520.19867	6.2
531.19763	17.0
548.10284	1.0
573.21021	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	653.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55852	0.8
57.03440	2.6
59.01376	2.8
66.97824	0.8
71.01379	2.4
71.40047	1.1
81.03438	4.2
83.01377	3.9
89.02415	1.2
93.03467	2.8
95.05022	4.2
96.96012	5.1
97.02958	7.0
98.95573	0.9
99.00925	1.0
105.03480	1.1
109.02232	1.8
109.02957	25.3
121.02962	3.2
122.03767	1.3
123.04536	16.3
125.02448	15.9
134.03749	1.5
135.04523	3.0
137.02455	12.7
139.03984	3.8
145.02948	1.5
146.03706	2.0
146.06113	1.6
149.02405	3.2
150.03253	1.6
151.03996	9.4
159.04524	3.0
160.05203	1.2
161.02504	1.5
161.06070	5.7
162.03183	2.4
163.04004	2.0
164.01192	4.1
165.01874	5.1
167.03458	1.4
173.05936	1.0
175.03946	2.5
175.07632	2.0
177.05580	1.2
179.03485	7.6
187.04012	4.7
188.04787	4.7
189.01659	1.8
200.99612	4.1
201.01697	6.5
201.05615	1.3
202.06355	2.6
203.07135	11.6
205.05087	6.5
212.04922	1.5
217.08766	1.2
221.08197	3.4
227.07062	2.6
245.08177	18.5
287.05759	1.3
289.07190	100.0
290.07483	3.9
327.02698	1.4
363.16830	1.0
407.58444	1.0
616.18555	1.4
617.19128	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	653.2463
Annotation	Eruberin C
Peak:m/z	Relative Intensity
56.00606	0.4
59.01379	2.2
69.52216	1.4
71.01408	1.4
80.16754	0.3
85.02960	0.4
88.29191	0.4
89.02467	0.6
95.46791	0.4
101.02471	0.7
104.02663	0.4
116.92921	0.5
118.04295	1.4
132.02216	1.3
134.03773	0.4
135.04568	0.6
136.32536	0.3
137.02483	0.4
145.02963	0.5
161.02495	0.7
162.03270	1.7
176.01163	0.8
179.03539	0.5
184.29057	0.4
185.06104	0.8
187.07736	0.4
189.01926	1.9
190.02742	8.6
191.03300	0.5
193.05061	0.6
198.06927	1.2
199.07669	16.9
200.08195	0.7
201.01921	0.6
203.03485	2.2
222.01765	1.3
225.05588	1.9
226.06358	1.1
227.07135	3.0
229.05061	4.7
230.05869	2.3
243.06638	21.8
244.07396	7.0
257.08087	0.6
283.02423	0.4
289.07291	0.5
311.12878	2.0
313.14481	21.2
314.14825	1.2
329.13919	3.2
329.51843	0.4
491.19281	100.0
492.19635	5.7
653.24567	45.4
654.24902	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	653.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.7
51.73712	0.8
54.52751	0.7
55.01893	1.6
56.47362	0.7
57.03447	2.7
58.33709	0.9
59.01386	19.8
61.98844	1.8
69.03471	7.1
69.74258	3.2
71.01390	14.0
72.99310	1.0
73.02950	7.0
79.05524	1.7
80.95966	0.8
83.01394	4.4
85.02961	10.3
86.00111	1.1
87.00883	3.5
87.04519	0.8
87.35685	0.8
88.98854	0.8
89.02480	4.8
93.03461	1.8
95.01407	2.4
96.92722	0.7
96.96028	1.1
97.06597	1.8
98.22585	1.7
99.00888	2.9
101.02463	15.5
111.00892	1.0
112.98803	0.9
113.02469	9.3
119.03504	1.3
121.02956	3.4
122.03780	5.0
125.66156	0.8
131.03500	5.0
132.02225	1.4
133.02963	7.4
134.03726	2.7
135.04503	1.9
141.05591	2.1
147.04593	1.8
149.02460	28.2
149.06117	1.9
150.03244	31.2
155.10785	0.9
159.03079	1.1
160.04063	2.0
161.04523	1.4
164.04805	4.2
165.05589	23.6
166.06392	3.8
167.07156	2.1
179.03613	1.5
179.05620	0.7
180.04222	2.0
181.08727	5.4
191.05566	1.9
195.06657	8.2
237.00635	0.9
285.04037	1.0
314.11600	5.9
315.12469	1.7
329.13968	14.5
330.14481	1.0
331.13159	0.8
333.26767	0.8
343.14011	11.2
365.06024	1.0
375.74725	0.9
397.14590	0.8
491.19296	100.0
492.19656	5.0
521.29565	4.0
539.21417	55.5
540.13916	0.8
540.21411	3.8
589.33014	1.0
653.35516	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03443	2.7
59.01387	21.1
60.99309	5.4
61.98832	3.2
69.03469	6.1
69.35828	2.8
69.36240	3.1
70.39384	1.0
71.01392	16.2
71.01749	1.7
71.92220	1.0
73.02959	7.3
75.00864	1.5
83.01393	4.8
85.02957	8.5
86.00127	1.3
87.00909	2.1
87.04552	1.6
88.98816	33.8
89.02464	4.1
93.03477	1.9
95.01376	1.5
95.68822	1.0
98.22584	2.5
99.00887	2.6
101.02460	12.2
109.02960	2.4
111.00927	1.9
111.32893	1.2
111.86458	1.0
112.98811	2.3
113.02464	10.1
115.22848	1.0
121.02964	1.7
122.03755	4.0
129.01979	1.6
131.03519	8.2
132.02234	1.9
133.02965	7.8
134.03709	1.6
135.04558	2.4
140.29776	1.0
147.04564	3.4
149.02451	23.4
149.06073	2.5
150.01991	1.7
150.03242	35.2
151.03938	1.3
157.01031	1.2
159.02928	1.1
161.02483	1.5
161.04541	1.2
164.04802	3.8
165.05591	25.2
166.06329	4.0
167.07173	1.2
179.03503	1.7
181.08702	4.9
191.05638	2.0
195.06648	6.6
199.09804	1.3
249.32388	1.4
285.04178	1.6
314.11710	6.0
315.12375	1.4
329.14053	13.7
339.05014	2.9
343.14148	8.6
491.19293	100.0
492.19516	5.7
505.78064	1.3
539.21411	57.7
540.21570	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	653.302
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49385	1.8
61.45841	1.3
65.23801	1.8
65.81727	1.4
69.93520	3.9
78.95912	100.0
89.70542	1.5
121.75471	1.5
149.00110	4.4
150.17877	1.5
171.73074	1.7
205.16040	2.6
221.86241	1.8
285.12695	2.9
317.44418	1.7
447.13483	2.9
653.19159	3.5
653.30170	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68693	0.4
55.01876	0.4
57.03443	1.0
58.00590	0.5
59.01381	19.9
61.98837	3.5
71.01386	10.8
72.99310	0.8
73.02940	1.9
83.01403	1.3
83.14280	0.4
84.66273	0.5
85.02953	4.0
87.00885	6.6
88.98793	1.7
89.02455	7.6
93.03486	0.5
95.01395	0.9
96.04745	0.4
96.91127	0.4
99.00889	0.9
101.02464	8.0
112.98799	1.0
113.02466	3.3
116.92883	0.9
119.03526	2.6
125.02396	0.7
130.99841	0.5
131.03671	0.5
135.04543	0.9
149.00940	0.9
149.06194	0.5
151.04085	0.4
161.02438	1.3
177.02022	0.5
179.03487	0.9
179.05621	1.2
181.12410	0.6
182.12627	0.4
182.61133	0.4
185.11810	0.4
188.05501	0.4
189.72581	0.4
190.05058	0.6
191.05591	0.5
198.04366	0.5
218.33829	0.4
232.68419	0.4
255.06577	0.4
311.25949	1.4
313.23920	1.2
341.26981	12.2
342.27377	0.5
352.45636	0.4
359.28049	9.8
373.29733	0.6
491.28085	0.5
503.32407	1.1
521.33356	100.0
522.25616	0.6
522.33759	6.0
653.34399	10.8
654.34399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
57.03440	2.1
59.01389	31.4
61.98838	4.8
67.11687	0.9
69.03466	1.7
69.33757	4.8
69.34177	1.5
71.01392	20.2
72.11256	1.2
72.99309	2.3
73.02948	5.4
83.01390	2.6
85.02966	5.6
87.00881	3.0
88.10323	0.9
89.02458	12.0
93.03485	1.8
96.96006	1.0
99.00893	1.3
101.02457	12.7
104.13169	1.0
113.02480	6.9
116.92900	2.1
119.03503	4.9
121.02953	1.7
125.02493	1.2
125.09724	1.5
127.11290	2.1
131.03589	1.2
135.04532	4.5
137.02461	1.4
143.03513	0.9
148.04161	1.1
149.04568	1.2
155.10770	1.0
161.02419	2.0
161.04524	1.6
165.09212	1.2
171.10252	4.9
177.01996	2.4
179.03532	2.0
179.05635	2.2
183.10335	1.4
186.94583	1.2
191.05667	2.3
201.11333	14.3
219.14026	1.8
228.47490	1.0
248.38858	0.9
259.07938	1.2
285.04092	2.2
293.21307	1.7
311.22424	4.7
315.93521	1.2
329.23224	3.1
455.26584	3.1
473.27762	17.8
474.27759	1.0
475.14914	1.0
489.24484	1.0
491.28674	11.4
521.20935	1.0
521.33051	1.2
592.24091	1.1
615.30396	3.9
653.34070	100.0
654.34528	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	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03454	1.2
58.00601	0.7
59.01386	51.2
62.75383	0.3
68.99834	0.4
69.03460	1.8
71.01389	34.1
72.99314	1.2
73.02949	6.3
75.00882	1.1
81.03468	1.9
83.01392	4.7
85.02963	7.4
86.00106	0.4
87.00883	8.8
89.02454	31.5
91.04035	0.5
93.03420	0.5
94.38843	0.3
95.01408	2.5
95.12489	0.3
97.02961	6.2
97.03947	0.4
99.00903	1.8
101.02454	29.1
103.04029	0.4
109.02985	0.6
111.00883	0.5
111.04538	1.2
112.31029	0.3
113.02460	13.6
115.04038	0.6
119.02664	0.7
119.03511	11.5
121.02957	0.7
124.01674	0.6
125.02459	13.3
127.04041	0.4
131.03494	1.9
133.05104	1.3
139.04005	0.6
141.01942	0.8
143.03523	5.2
149.04579	1.3
161.04582	6.9
167.03487	0.6
169.05103	0.5
171.02969	0.3
179.05620	6.6
185.04565	0.8
199.06090	0.9
203.05653	0.4
215.40633	0.3
217.07169	1.3
221.06631	2.1
235.08246	13.8
245.06775	0.9
253.09329	3.4
255.23312	100.0
256.23599	3.3
263.07770	1.8
269.24942	0.8
277.09299	1.0
287.07724	3.2
305.08798	4.6
308.15662	0.4
323.09866	1.4
361.11206	0.6
379.12543	1.1
397.13525	94.7
398.13882	2.3
415.14600	33.0
416.14966	1.1
653.27008	0.4
653.37573	0.8
676.65741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03452	1.5
58.00620	0.4
59.01384	52.7
60.01729	0.4
68.99856	0.5
69.03459	2.1
71.01386	35.3
71.45224	0.5
72.99323	1.2
73.02950	6.7
73.15009	0.3
75.00883	0.6
78.95922	1.1
81.03472	1.7
83.01385	3.5
85.02953	7.7
87.00350	0.5
87.00883	7.3
89.02450	31.4
91.04015	0.7
93.03466	0.6
95.01400	3.1
97.02956	6.4
99.00885	1.9
101.02448	27.7
102.43242	0.3
102.45904	0.3
108.65830	0.3
109.02978	0.5
111.00924	0.9
111.04506	0.7
113.02454	14.9
115.04041	0.7
119.03510	10.2
121.02956	0.6
123.04547	0.6
124.01715	0.6
125.01528	0.5
125.02455	11.0
127.04025	0.5
129.85114	0.3
131.03528	1.8
133.05127	0.8
139.04002	1.3
141.01976	0.8
143.03514	5.8
149.02449	0.3
149.04613	1.4
152.99626	1.4
155.03525	0.5
161.04582	6.7
167.03596	0.7
179.05621	6.7
185.04626	0.9
199.06113	0.4
217.07187	1.1
219.05136	0.7
221.06732	2.2
235.08231	11.8
241.01201	0.5
245.06705	1.0
253.09282	2.8
255.23306	100.0
256.23630	2.4
263.07751	1.5
269.24930	0.8
275.28680	0.5
277.09332	0.5
279.23166	0.8
287.07742	3.2
290.87720	0.3
305.08835	3.3
323.09698	1.8
328.83081	0.4
329.78653	0.3
361.11606	0.6
379.12415	0.7
397.13516	81.0
398.13803	2.6
415.14594	30.2
416.15363	0.9
427.55740	0.4
595.29333	1.5
653.26276	3.9
653.36688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24588	0.9
56.23958	1.0
61.98835	2.9
104.88226	1.0
125.37100	0.9
135.92145	1.2
197.02237	5.6
197.15613	1.2
292.41165	1.1
300.66098	1.3
396.08246	1.1
455.35336	100.0
456.35672	4.6
457.49240	1.2
464.36285	1.2
481.48773	1.0
653.38385	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	653.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15249	2.6
59.18832	2.6
60.93991	2.6
61.98815	7.3
62.17448	2.7
71.69026	2.2
84.05237	2.5
98.21873	5.4
111.46318	2.4
123.01647	2.7
310.42572	2.5
332.10461	2.7
333.05786	3.8
348.27158	2.4
392.06448	3.0
409.42136	3.0
416.08664	3.6
433.09421	3.3
434.09933	7.5
435.10660	2.7
539.00806	3.2
555.05475	2.7
611.46246	3.1
653.44202	100.0
654.44476	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	654.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10287	1.7
59.01365	1.7
70.10383	4.4
70.54467	1.7
71.05027	10.3
73.02926	2.0
77.06144	1.5
97.02943	5.3
99.00887	3.3
105.03436	2.0
105.07114	1.9
107.05001	3.3
108.04498	1.9
115.04025	66.7
117.07108	6.5
119.05011	3.2
122.06110	1.6
131.05029	3.8
133.02997	3.4
141.07124	62.0
142.25359	1.5
143.04988	3.2
144.05836	3.1
147.04547	28.4
148.04060	29.0
150.05586	5.5
157.06558	4.6
159.08170	69.1
164.07185	6.8
176.07230	1.7
177.09154	2.7
185.06084	6.9
186.05586	2.4
187.06427	2.0
202.08755	93.6
203.07181	18.0
220.09758	8.1
246.07771	12.0
264.08789	100.0
265.09250	3.0
313.43381	1.7
345.44254	1.6
470.63022	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	655.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24749	0.3
55.01898	0.4
59.01379	1.5
62.37626	0.4
69.56197	1.4
71.01390	1.4
72.99311	0.4
75.00877	4.7
84.99360	0.4
85.02953	0.5
87.00887	13.1
89.02476	0.7
93.96899	0.3
99.00890	4.0
101.02468	0.9
105.01954	16.2
105.02672	0.8
105.03471	0.7
107.05070	0.5
110.47203	0.3
117.01964	0.6
117.03472	0.3
119.03510	0.4
123.00504	0.3
129.01927	0.4
131.10571	0.3
133.02991	3.6
134.03807	2.4
135.04546	29.8
136.04892	0.7
147.03030	3.8
151.04024	0.4
165.04068	100.0
166.04413	0.8
177.01981	1.5
178.02275	0.6
179.03535	22.6
180.03964	0.6
191.05705	0.9
217.05078	0.4
266.11511	0.4
266.30527	0.4
327.07248	30.2
328.07574	0.5
375.06995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.0
61.98834	7.2
63.02420	1.0
68.99859	1.1
74.10551	1.1
82.31475	1.1
89.02464	1.5
101.02480	2.2
101.24641	1.0
107.01371	1.6
113.02473	1.9
116.92898	1.8
125.02462	2.1
133.02972	2.9
135.04536	1.3
148.76768	1.0
149.02469	1.3
151.00410	3.3
160.62514	1.2
161.02481	1.7
161.04597	1.1
175.04008	2.8
177.02116	1.2
179.03487	1.9
192.70432	1.2
193.05084	1.2
213.05588	1.3
227.03516	1.4
255.03000	100.0
256.03653	5.2
269.04510	2.4
281.04480	1.7
283.02484	92.3
284.03229	39.5
285.04059	60.3
286.04626	1.6
296.03119	1.7
297.04013	3.2
313.03598	5.3
325.03629	4.0
327.05038	1.6
331.15311	2.1
445.07706	7.1
446.08554	96.2
447.09225	23.0
475.10004	7.6
492.19043	1.6
493.11340	2.6
493.20270	4.3
655.16461	11.3
655.25830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.6
69.59642	2.6
71.01375	2.2
73.02938	0.8
89.02460	1.0
89.03946	0.6
93.03471	1.1
101.02438	1.3
103.20543	0.7
116.92822	0.8
117.03467	3.0
119.05046	0.9
121.02963	7.1
122.03754	3.7
122.27792	0.7
125.02547	0.8
132.02177	2.7
133.02980	1.8
134.03754	75.9
135.04572	3.3
136.01651	0.7
146.69708	0.6
147.04567	1.3
149.02429	10.2
149.06090	13.8
150.03235	24.1
151.03900	1.2
155.10822	1.3
157.97597	0.6
160.01656	7.6
164.04782	1.9
165.05583	23.2
175.04033	9.2
178.02724	8.3
179.03377	0.7
180.04294	1.9
181.04987	0.7
192.04141	0.8
193.05069	100.0
194.05414	1.8
195.06651	11.6
199.09694	0.9
239.07127	2.2
250.06392	1.8
254.09370	0.8
265.09146	0.8
267.06625	1.9
282.08920	7.0
326.07834	0.9
341.10306	26.1
342.10538	0.9
371.11414	10.6
389.12518	13.7
390.13013	0.7
459.15100	45.1
460.15427	1.3
483.70166	0.8
607.20135	1.0
655.22583	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	655.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21486	0.7
51.11485	0.6
53.33536	0.7
55.01880	0.8
57.03458	0.9
58.00600	1.1
58.24448	0.5
59.01385	100.0
61.98833	2.0
63.39992	0.6
69.30000	2.4
69.30405	1.2
70.97083	0.6
71.01389	45.8
72.99326	2.0
73.02949	1.1
83.01384	1.1
85.02956	6.8
87.00894	2.8
89.02452	71.0
95.01411	2.7
96.96012	0.7
101.02455	23.4
101.03119	1.2
101.98776	0.6
112.31468	0.6
113.02461	18.4
119.03515	28.8
124.27122	0.8
125.02484	1.0
131.03510	3.5
135.04604	0.9
143.03517	5.4
149.04605	1.9
161.02541	0.7
161.04564	5.7
161.68832	0.6
179.05638	17.5
191.05663	2.1
201.16812	0.6
285.04184	1.0
341.13846	0.8
347.64310	0.7
493.19666	0.7
502.39691	0.7
655.26550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64516	0.9
58.91292	1.1
59.62589	1.0
63.15979	1.0
67.73436	1.1
78.95907	15.2
83.63010	1.0
108.46280	1.1
118.04268	1.1
137.16652	1.0
161.02423	1.1
176.01169	1.1
189.01909	4.5
190.02736	5.3
191.03435	2.2
194.11890	1.2
198.06822	1.1
198.68755	1.1
199.07651	12.0
203.03508	2.0
204.04306	1.5
215.07060	1.6
222.01692	1.7
225.05612	1.1
227.07024	1.5
229.04991	3.1
242.05969	1.6
243.06610	50.2
244.07434	8.8
257.08231	1.9
259.09622	1.9
301.21576	2.7
312.13675	20.8
313.14468	47.4
314.14429	1.6
327.15979	17.3
328.16257	1.6
448.38052	1.4
504.15182	1.2
613.20392	1.1
655.32690	100.0
656.32770	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	655.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90024	1.1
61.60560	1.2
69.06828	8.2
78.81390	1.0
78.95929	1.5
79.43280	1.0
90.94276	1.2
96.28020	1.0
98.22705	2.3
118.04274	1.4
135.13110	1.0
142.48537	1.0
148.01732	1.1
162.03206	1.4
171.08148	1.4
178.46619	1.2
179.39076	1.2
189.01950	5.4
190.02702	5.9
199.07645	13.5
201.01888	1.6
209.61989	1.1
215.07019	1.4
222.01727	1.3
227.07245	2.1
229.04961	2.7
243.06621	62.9
244.07288	7.8
250.06837	1.1
257.08243	1.7
259.09561	1.1
312.13739	22.4
313.14447	40.6
314.15009	1.5
327.16022	15.8
353.13925	2.0
379.91498	1.2
655.32806	100.0
656.32764	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	655.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72493	0.6
60.99591	0.7
69.43197	1.8
69.43600	1.2
78.95905	2.1
82.48361	0.6
83.25578	0.6
104.02675	0.8
107.05045	1.1
118.04272	1.0
139.59914	0.6
145.02968	1.4
148.01588	0.7
161.02457	0.9
162.03244	1.0
171.08128	0.8
176.01135	1.3
185.06099	1.1
189.01950	4.0
190.02753	5.3
191.03357	1.2
198.06876	0.9
199.07661	16.1
203.03484	2.4
215.07132	1.1
222.01660	1.2
225.05611	2.4
226.06387	1.0
227.07060	3.0
229.05055	4.5
230.05936	0.9
243.06627	56.8
244.07341	9.6
257.08118	1.7
259.09680	1.1
312.13684	19.2
313.14471	60.6
314.14828	2.3
327.16031	14.0
375.15125	0.8
482.92273	0.6
486.95377	0.7
571.23419	1.4
653.62921	0.7
655.32776	100.0
656.33148	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	655.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21930	2.8
54.88572	3.1
59.01384	100.0
70.19733	2.9
78.95908	16.7
123.59209	3.0
125.09724	12.8
141.01706	73.3
144.74850	2.9
152.99602	14.0
187.09779	9.2
275.06357	3.2
277.21817	6.1
279.23267	4.8
299.52979	3.5
406.08917	3.6
494.82257	2.9
535.27521	3.4
595.28632	14.5
597.29346	4.9
648.34137	3.2
655.36792	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	655.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	70.1
61.98845	8.9
78.95893	5.4
116.11223	4.2
141.01727	53.1
187.22380	4.7
190.02750	13.5
199.07655	16.6
229.05153	7.6
238.44406	4.5
243.06668	33.5
244.07404	7.5
275.06265	4.8
278.42987	5.1
305.00064	4.7
313.14420	36.1
327.12360	17.3
387.36359	5.2
442.11029	4.2
595.28583	5.8
655.29175	100.0
656.29895	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	656.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46403	0.9
59.01379	2.6
61.98833	20.4
62.54166	0.8
71.01388	1.4
93.03477	1.3
96.96024	0.9
102.30199	0.8
109.02989	1.1
121.84624	0.8
133.02950	1.4
135.04585	1.1
151.00369	3.1
153.11984	0.7
159.45438	0.8
163.00446	1.0
173.59564	0.8
187.04106	0.9
191.05583	2.8
195.06482	0.9
201.05754	1.7
208.03896	0.9
227.03415	1.2
229.05070	1.5
243.03035	2.1
255.02954	5.0
257.04425	1.0
271.02512	30.8
272.02798	2.3
283.02444	1.8
285.04044	1.8
299.01978	58.5
300.02563	7.2
301.03540	45.2
302.03775	1.9
356.71408	0.9
431.09021	0.9
446.08511	19.0
447.09344	14.6
593.15155	100.0
594.15631	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	656.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21028	0.5
53.93851	0.5
59.01378	1.5
60.84134	0.5
61.98837	21.5
68.17994	0.6
69.51643	1.9
69.52065	1.1
76.56887	0.5
93.03500	1.5
98.21935	1.2
103.84896	0.6
107.01395	1.3
107.70640	0.5
113.02464	0.7
114.09293	1.2
120.01263	0.7
132.02216	0.7
133.02979	0.6
135.00916	0.6
135.04691	0.7
151.00386	1.2
157.06471	0.7
159.04549	1.0
163.00351	1.3
163.03958	0.7
169.06604	0.6
183.04530	0.7
185.06143	2.1
187.03926	1.4
189.05486	0.8
191.05615	1.7
197.06018	0.8
199.04070	0.9
211.03999	2.0
213.05522	1.3
227.01239	1.1
227.03519	20.7
228.03963	0.7
229.05121	7.9
239.03445	1.6
240.04387	0.8
241.04990	0.7
255.03014	36.9
256.03641	3.2
257.04529	5.0
267.03009	0.9
284.03284	54.7
285.04062	66.9
286.04318	1.6
305.04620	0.6
327.05038	1.2
418.48691	0.6
464.69815	0.6
593.15161	100.0
594.15564	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	656.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38888	1.2
58.42398	1.3
59.01382	1.8
61.98835	21.0
71.43974	1.4
79.45244	1.0
151.00433	2.2
163.00368	1.5
185.06102	2.1
187.04004	1.6
211.04022	1.2
227.03508	23.0
229.05070	11.8
239.03613	1.3
241.05130	1.6
255.03024	39.5
256.03644	3.7
257.04578	5.5
267.02997	1.2
275.25299	1.2
284.03281	54.0
285.04047	66.5
286.04462	3.2
432.12796	1.1
593.15155	100.0
594.15326	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	656.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.3
61.98826	2.3
71.01373	0.8
85.49888	0.7
105.43100	0.7
107.01373	0.7
109.02951	0.8
125.02465	1.5
133.02948	3.8
147.04601	0.8
149.02446	1.3
151.00381	2.8
175.04042	1.5
185.06076	0.8
197.03333	0.6
199.03981	1.9
243.06764	0.7
254.64932	0.7
256.03787	1.1
284.03302	12.2
285.04071	100.0
286.04501	4.4
369.25516	0.7
401.47418	0.7
492.19815	0.9
495.00284	0.8
503.18924	1.9
504.19400	2.2
593.15186	70.6
594.15582	5.1
656.41699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36423	0.3
59.01383	6.3
64.38838	0.3
70.01243	0.3
71.01387	1.5
72.99310	4.8
75.00879	7.1
82.66406	0.3
83.05032	1.0
85.02941	0.5
87.00888	0.8
89.02454	1.5
89.64389	0.3
99.15469	0.4
101.02469	1.9
103.00385	1.1
103.01529	0.5
104.03589	0.4
105.01947	100.0
106.02307	0.8
111.04516	1.2
113.02474	1.0
118.95129	0.3
119.03492	0.9
127.82893	0.4
131.03545	0.6
137.02467	0.4
140.06956	0.4
150.14896	0.3
153.01740	0.3
158.06114	0.4
179.05598	0.8
275.07886	1.1
293.08801	7.5
294.09204	0.3
302.92883	0.3
317.08841	4.1
347.09778	2.4
365.11005	0.5
371.24744	0.4
377.10992	1.1
395.11786	0.6
436.39792	0.4
461.11978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.4
60.01696	0.8
70.19810	2.0
83.27733	0.6
99.04550	1.8
123.80934	0.7
141.01729	4.4
142.05099	1.9
142.97575	1.0
143.02415	0.7
143.03503	2.9
143.07155	1.3
259.34039	0.8
276.06546	0.8
277.21793	0.9
451.14008	1.5
464.14966	1.3
465.15826	1.4
494.15942	3.0
495.16708	1.9
507.16977	8.9
508.17191	1.4
510.15250	0.8
512.16876	1.4
521.15265	3.6
522.19202	0.8
526.15533	1.4
534.14990	0.9
535.16119	1.0
537.28015	0.9
539.15631	3.4
540.16235	1.1
549.17920	7.9
550.18188	0.9
553.17474	22.0
554.17639	3.2
566.18066	3.2
581.20660	4.3
598.17273	1.0
625.19446	1.6
657.22101	100.0
658.22394	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	657.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13554	0.7
59.01381	5.6
69.22426	4.4
69.47626	0.7
71.01411	0.7
77.67004	0.8
86.00842	0.7
89.02444	0.9
89.95573	0.9
121.32755	0.7
141.01732	0.9
145.36903	0.9
175.59232	0.8
216.94859	0.9
255.23410	1.3
256.23544	1.7
259.65796	0.9
399.14072	1.7
400.14392	1.5
451.13925	1.0
464.14780	1.0
493.15292	1.2
494.16101	1.9
495.16718	2.4
507.16934	4.9
508.17606	1.3
510.15411	2.3
511.15527	1.6
512.16742	0.9
521.15033	2.9
534.15588	1.1
539.15717	5.6
549.17944	3.3
550.17590	0.8
553.17358	22.3
554.17932	4.0
566.18323	2.2
581.20819	2.0
657.22101	100.0
658.22247	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34528	3.1
59.01374	4.2
60.95267	3.5
61.98833	36.8
67.10000	3.1
69.45342	11.7
69.45753	7.2
94.06635	12.4
120.08181	11.8
122.05225	5.5
122.06126	100.0
135.89177	3.8
151.04085	3.9
223.08801	4.1
235.08656	3.3
237.10367	5.1
239.11908	8.7
249.06549	4.3
251.12053	5.4
264.09085	7.1
265.09772	7.9
277.09674	5.5
279.11368	15.5
280.12094	6.1
291.11493	7.2
295.10800	4.3
315.05011	5.3
358.15631	4.4
360.16934	3.5
372.17316	7.9
435.34973	5.8
453.35733	4.0
458.17169	6.4
459.17773	8.9
477.35883	4.8
490.19730	4.7
503.16992	6.8
534.18793	5.4
535.39264	3.7
537.25220	6.5
553.24835	6.8
581.23944	27.2
607.22052	5.1
625.23047	45.0
626.23560	4.1
657.25763	53.5
657.42029	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29943	1.1
59.01379	3.3
61.98833	1.6
69.64630	4.2
71.28360	1.1
74.76529	1.1
93.29134	1.0
118.04270	2.1
141.01740	2.0
162.03265	2.3
176.01146	2.4
182.11946	0.9
185.06145	2.4
189.01913	2.5
190.02719	9.6
197.59039	1.0
198.06862	1.4
199.07660	23.1
203.03627	2.5
216.08034	1.1
222.01683	2.4
225.05647	3.4
227.07106	5.7
229.05064	8.0
230.05827	3.2
243.06642	27.0
244.07341	9.6
297.12405	1.5
312.13718	1.4
313.14468	55.9
314.14798	4.0
328.13120	2.0
329.14023	8.9
335.43527	1.1
344.62665	1.2
657.30750	100.0
658.31201	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	657.3078
Annotation	7-Methoxygambogellic acid
Peak:m/z	Relative Intensity
59.01386	1.0
64.70878	0.9
71.40906	1.0
101.27613	0.9
102.19187	0.9
105.01929	1.7
118.04246	2.4
132.02231	1.4
148.01675	1.0
162.03218	2.9
176.01138	2.6
177.01848	1.0
185.06081	1.6
189.01971	2.8
190.02766	8.1
191.03613	1.0
198.06825	1.7
199.07657	22.2
200.08266	2.0
203.03513	2.2
218.44673	0.9
222.01624	1.8
225.05502	1.9
227.07140	5.1
229.05162	5.1
230.05774	2.9
243.06627	28.3
244.07394	9.7
257.08188	1.4
312.13620	1.3
313.14496	47.9
314.14896	2.5
328.13162	2.2
329.14014	9.8
330.14343	1.5
367.58780	1.0
657.30725	100.0
658.31116	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	657.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03447	2.3
59.01384	27.1
61.98823	2.0
69.03445	1.3
69.07695	4.6
71.01388	28.8
72.53026	0.6
72.99324	1.3
73.02950	15.5
75.00881	1.2
81.03462	0.8
83.01386	5.9
85.02960	14.6
86.00098	1.6
87.00895	3.1
89.02458	9.4
89.91778	0.7
93.03460	0.6
95.01404	2.3
97.02956	2.7
98.22644	1.0
99.00896	6.2
101.02452	23.8
101.03119	1.3
101.12967	0.5
108.02225	0.7
108.30810	0.5
109.02985	1.1
111.00900	6.1
113.02459	10.5
115.03988	1.4
116.92864	1.2
119.03519	1.1
125.02460	2.8
129.01999	1.2
131.03554	1.8
133.02960	1.0
135.04539	1.2
137.02441	1.7
141.01949	0.7
143.03490	0.8
149.04539	0.6
151.04018	0.8
155.10751	0.7
159.02995	3.1
160.04097	0.9
161.02451	1.5
161.04601	3.8
177.01875	1.0
179.03503	1.6
179.05576	0.6
191.05666	1.1
194.99594	0.6
199.16710	0.6
233.06654	1.0
293.08835	1.3
363.23831	4.6
481.20691	0.7
495.28168	2.2
525.20898	1.0
525.29248	18.6
526.29260	0.8
657.33478	100.0
658.33752	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	658.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
84.00902	1.1
88.85915	0.6
114.01971	0.8
161.01074	0.6
183.97517	0.6
196.22369	0.5
244.07236	0.7
254.69783	0.6
313.14490	0.9
314.14825	1.7
330.13992	0.6
453.33759	100.0
454.34091	9.0
467.35486	0.8
615.38806	0.8
658.30206	0.9
658.39819	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	658.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34778	1.2
59.01382	1.3
61.98822	1.5
69.72262	2.6
69.72630	2.1
78.24518	1.1
78.95899	1.9
84.00893	2.0
141.98978	1.1
147.61430	1.2
169.02435	1.1
170.90939	1.1
190.02774	2.6
223.27950	1.3
249.15585	1.1
257.57181	1.2
314.67746	1.4
329.14017	3.5
330.14337	3.8
377.68805	1.2
453.33762	100.0
454.34225	7.4
497.77850	1.3
499.67245	1.2
596.39441	1.3
615.38892	2.6
639.55365	1.2
650.86401	1.4
658.31006	10.1
658.38147	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	659.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71714	0.5
59.01382	68.0
59.68967	0.5
61.98831	0.7
62.77699	0.5
65.58792	0.5
69.02328	2.2
69.02736	1.2
73.00259	0.4
74.37428	0.4
108.15951	0.4
127.14945	0.4
132.39188	0.5
132.98199	1.2
140.24274	0.4
150.94797	1.1
157.03595	1.6
174.99249	26.9
175.99432	0.7
176.98080	1.0
187.04405	0.4
192.95860	11.0
201.02568	18.3
202.02713	1.1
217.00305	100.0
218.00676	1.3
291.58200	0.5
332.01443	0.6
343.03738	1.8
359.01489	31.2
360.01675	1.7
374.99231	49.3
375.99615	1.2
517.00470	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	659.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51062	2.9
54.53698	2.9
57.03446	16.8
59.01365	12.9
61.02126	2.5
61.98820	7.5
69.68953	7.9
71.01386	5.2
76.01182	3.2
81.03453	10.5
83.01391	13.7
89.02431	4.3
93.03471	5.7
95.05019	8.4
97.02935	8.7
99.04543	6.4
107.05029	5.4
109.02946	5.6
109.75560	2.9
121.02978	5.6
123.04465	4.7
124.01669	5.2
125.02458	83.6
134.03719	9.6
135.04518	14.9
137.02455	53.1
139.04025	8.3
147.04527	13.6
149.02467	3.1
151.04002	9.4
152.01183	4.0
161.02455	6.4
163.00339	2.9
163.03981	9.5
164.01151	14.1
165.01933	21.3
165.05591	13.7
167.03500	44.2
173.06041	8.9
175.04039	4.6
179.03568	13.6
181.05151	6.0
185.06111	3.2
187.04018	4.0
189.05602	6.1
191.03580	3.2
193.05055	14.2
195.04538	3.4
197.02492	3.1
201.05521	15.0
205.05037	10.3
207.01218	13.5
207.02858	14.2
207.06613	9.4
211.04121	4.3
212.04759	8.6
213.05569	16.2
215.03513	13.4
217.05083	4.6
223.03857	3.8
225.05490	13.3
227.03476	7.6
229.05083	23.1
236.57709	3.1
239.07159	5.7
240.04210	3.3
241.05077	56.9
242.02377	6.0
243.02873	4.4
243.06577	4.1
244.03825	4.1
247.07748	3.6
251.03461	3.9
253.05109	20.2
255.03024	3.3
255.06583	3.3
257.04529	26.6
263.03616	3.3
263.07190	6.4
265.05005	13.1
267.06540	7.3
269.04575	21.7
275.07184	3.9
278.22656	2.9
279.06595	5.3
281.04547	9.8
281.08011	3.8
291.06622	4.9
293.04691	4.4
295.06146	6.4
299.05679	4.0
305.08383	4.9
309.07739	8.9
311.05600	4.2
319.06021	5.5
321.07520	3.7
331.05771	3.5
333.07727	5.7
337.07147	4.2
339.08093	3.3
347.05612	3.5
351.08624	9.1
360.06363	3.4
363.04941	3.9
365.06439	4.4
377.06555	7.7
379.08081	6.3
388.06277	5.3
389.06659	28.6
395.07657	20.6
396.07962	3.6
397.09491	5.4
401.06503	6.4
407.07584	11.2
419.07639	12.8
425.09012	10.4
493.11328	4.4
503.09818	6.3
515.09863	9.6
521.10950	17.6
527.09998	6.0
544.10358	6.4
545.02802	5.8
545.10907	100.0
546.11182	4.8
563.11945	50.2
564.12476	4.3
641.13049	46.5
659.13867	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51062	2.9
54.53698	2.9
57.03446	16.8
59.01365	12.9
61.02126	2.5
61.98820	7.5
69.68953	7.9
71.01386	5.2
76.01182	3.2
81.03453	10.5
83.01391	13.7
89.02431	4.3
93.03471	5.7
95.05019	8.4
97.02935	8.7
99.04543	6.4
107.05029	5.4
109.02946	5.6
109.75560	2.9
121.02978	5.6
123.04465	4.7
124.01669	5.2
125.02458	83.6
134.03719	9.6
135.04518	14.9
137.02455	53.1
139.04025	8.3
147.04527	13.6
149.02467	3.1
151.04002	9.4
152.01183	4.0
161.02455	6.4
163.00339	2.9
163.03981	9.5
164.01151	14.1
165.01933	21.3
165.05591	13.7
167.03500	44.2
173.06041	8.9
175.04039	4.6
179.03568	13.6
181.05151	6.0
185.06111	3.2
187.04018	4.0
189.05602	6.1
191.03580	3.2
193.05055	14.2
195.04538	3.4
197.02492	3.1
201.05521	15.0
205.05037	10.3
207.01218	13.5
207.02858	14.2
207.06613	9.4
211.04121	4.3
212.04759	8.6
213.05569	16.2
215.03513	13.4
217.05083	4.6
223.03857	3.8
225.05490	13.3
227.03476	7.6
229.05083	23.1
236.57709	3.1
239.07159	5.7
240.04210	3.3
241.05077	56.9
242.02377	6.0
243.02873	4.4
243.06577	4.1
244.03825	4.1
247.07748	3.6
251.03461	3.9
253.05109	20.2
255.03024	3.3
255.06583	3.3
257.04529	26.6
263.03616	3.3
263.07190	6.4
265.05005	13.1
267.06540	7.3
269.04575	21.7
275.07184	3.9
278.22656	2.9
279.06595	5.3
281.04547	9.8
281.08011	3.8
291.06622	4.9
293.04691	4.4
295.06146	6.4
299.05679	4.0
305.08383	4.9
309.07739	8.9
311.05600	4.2
319.06021	5.5
321.07520	3.7
331.05771	3.5
333.07727	5.7
337.07147	4.2
339.08093	3.3
347.05612	3.5
351.08624	9.1
360.06363	3.4
363.04941	3.9
365.06439	4.4
377.06555	7.7
379.08081	6.3
388.06277	5.3
389.06659	28.6
395.07657	20.6
396.07962	3.6
397.09491	5.4
401.06503	6.4
407.07584	11.2
419.07639	12.8
425.09012	10.4
493.11328	4.4
503.09818	6.3
515.09863	9.6
521.10950	17.6
527.09998	6.0
544.10358	6.4
545.02802	5.8
545.10907	100.0
546.11182	4.8
563.11945	50.2
564.12476	4.3
641.13049	46.5
659.13867	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76060	1.0
59.01369	2.6
60.99351	1.2
63.21922	1.0
67.01901	2.0
71.01382	2.4
79.86108	1.1
85.02970	6.9
87.00880	4.0
93.03470	13.6
95.05009	1.1
96.96008	5.4
98.56567	1.0
105.03485	3.5
109.02967	13.0
111.04543	3.1
121.03028	0.9
123.04529	1.1
127.04030	1.6
131.51941	1.1
133.02982	21.2
134.03848	1.5
135.04530	13.1
137.02528	1.4
147.24458	0.9
149.02422	1.2
159.04549	3.8
161.02470	7.8
163.04027	1.1
173.04565	9.8
177.01956	7.9
179.03508	9.2
179.57135	1.0
182.99619	1.0
185.02470	3.6
191.05635	100.0
203.03543	2.6
213.91930	1.0
215.05649	11.3
222.81276	1.0
229.01384	5.9
249.05661	1.7
267.06714	2.4
277.05026	3.5
277.12448	1.1
280.03595	1.1
293.04742	1.4
295.06094	7.8
307.08286	4.3
315.66736	1.0
321.04239	4.9
339.05167	21.0
340.05621	1.1
351.07211	24.5
352.07571	1.5
353.08704	7.9
467.09863	10.1
485.11285	1.4
497.15710	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	659.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.8
61.98834	3.0
63.26069	1.1
63.64125	1.0
65.00820	1.1
66.79351	1.0
66.87707	1.0
70.96275	1.5
71.01392	4.0
72.99337	1.4
73.02943	2.2
81.03489	2.4
85.02937	3.7
87.04511	6.1
89.02467	2.0
93.03469	2.6
95.01466	1.4
97.02980	1.7
101.02431	1.5
108.02190	73.3
109.02978	54.8
113.02439	2.7
121.02967	3.2
123.04514	1.6
135.00850	1.4
135.04512	2.6
135.08115	1.3
137.02406	1.5
137.09729	7.2
149.02400	2.1
151.03970	2.4
152.01172	100.0
153.01967	42.3
155.10811	28.7
161.02460	2.5
163.04034	3.9
167.03606	2.0
167.10910	1.3
169.12375	2.4
179.03525	1.7
179.10828	1.9
181.08696	3.7
191.05588	3.3
191.10789	1.8
195.02982	2.0
195.10274	2.0
199.09810	7.8
241.10834	4.6
275.07654	1.2
283.11832	2.3
315.07379	1.5
435.16772	1.2
453.17706	2.9
479.15494	3.5
497.16708	99.1
498.16800	7.7
539.17926	14.2
569.18744	4.1
599.19879	31.6
600.20123	1.9
609.44861	1.1
659.21985	72.2
660.22430	8.6
686.26636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.6
59.13778	1.3
61.98832	3.2
64.07878	1.4
64.95737	1.4
70.88332	1.8
71.01370	5.5
73.02946	4.2
73.82413	1.6
81.03474	2.4
85.02954	4.1
87.04517	6.2
88.98806	1.4
93.03465	1.4
96.96027	2.7
97.02950	1.5
99.60517	1.4
101.02424	4.3
108.02183	67.8
109.02967	62.6
112.74552	1.4
113.02421	1.8
120.99657	1.9
123.04511	2.1
125.02441	1.9
127.06264	1.4
133.02916	2.1
134.03708	3.0
135.04524	2.1
137.09775	8.2
149.02367	1.9
151.03996	2.1
152.01163	100.0
153.01950	53.8
155.10794	25.5
161.02386	3.1
163.04021	2.4
167.03555	2.6
169.12314	3.1
179.03479	4.6
181.08681	2.8
191.05582	4.2
191.10768	1.7
195.02875	1.6
199.09767	7.4
223.09685	1.3
241.10818	3.9
257.94904	1.6
262.45724	1.5
283.11896	3.0
297.05798	1.4
314.90323	1.4
349.58130	1.4
453.17801	2.6
497.16727	61.2
498.17300	1.7
539.17737	12.6
569.18719	3.8
599.19733	36.7
600.19977	3.0
659.21942	81.6
660.22070	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	659.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49470	2.6
73.02937	2.4
78.95911	2.0
86.80831	1.3
97.99110	1.5
152.99542	1.7
155.77054	1.9
186.38307	1.4
211.85913	1.6
235.63490	1.6
262.04605	1.6
441.19180	2.6
465.19434	2.9
469.22455	2.5
496.17969	6.2
511.20218	2.1
512.16919	11.9
523.19891	1.8
524.20514	3.3
536.17126	3.5
555.18933	4.8
556.19434	2.2
583.22260	2.3
627.20941	6.0
659.23718	100.0
660.23572	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	659.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91959	0.8
59.01385	100.0
61.98828	3.8
71.00528	1.4
71.01389	2.2
79.02920	0.8
85.02962	4.4
85.06589	1.1
93.03465	5.5
103.96053	0.9
107.65104	0.9
111.04585	1.0
127.04042	1.3
133.02953	1.6
135.04532	3.4
137.02461	5.7
147.04430	0.9
149.07961	0.8
153.79858	0.9
159.07922	0.9
161.02478	5.3
165.01950	13.6
165.05553	1.5
179.03503	11.7
180.04306	12.2
181.05121	2.7
191.05630	77.2
192.06017	1.5
193.08803	1.2
194.05847	3.2
195.06641	16.6
196.07372	2.5
210.05418	3.2
211.09784	4.1
225.07715	22.7
227.03448	1.3
255.03084	1.0
285.04010	5.2
302.17599	1.1
353.08807	12.3
359.11224	5.3
374.13727	5.6
389.16098	32.7
390.16415	1.3
437.18182	24.6
470.83835	0.9
595.67285	1.0
659.18256	2.3
680.21118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01144	1.5
59.01382	12.6
61.98832	10.5
70.91186	1.8
71.01374	1.8
79.95152	1.4
80.05062	3.5
91.77796	1.3
94.06613	1.5
96.04573	1.2
96.96009	2.9
98.22785	1.6
106.06619	3.2
107.03773	5.7
108.04550	2.6
120.08205	2.6
121.05302	3.4
122.06130	43.4
129.81584	1.4
132.04547	5.2
134.06133	7.6
136.01643	2.9
136.07695	5.2
139.04008	3.9
146.06154	2.2
151.03999	5.2
152.05997	2.7
152.07181	40.8
160.06403	5.7
162.05632	1.5
162.09224	4.7
180.06705	10.5
202.69643	1.4
211.08737	3.0
213.10344	33.9
223.08783	3.0
223.76178	1.3
224.09587	2.3
225.10330	6.1
226.11253	3.5
237.10416	2.6
238.11243	1.8
239.08246	3.8
239.11874	8.6
241.13484	22.8
251.08105	2.5
251.11916	4.0
252.12666	1.9
253.09819	5.2
253.13477	2.9
265.13379	1.6
266.10638	3.1
267.11520	7.1
267.14957	10.9
268.12164	3.8
269.04559	3.0
269.12888	1.6
279.11594	1.6
280.12125	4.4
281.12903	4.0
285.03949	1.9
285.12460	73.7
286.12766	3.2
296.11575	1.5
297.12430	22.1
310.06778	1.3
311.13885	2.1
312.11139	2.3
313.11844	2.5
316.14664	1.5
334.13766	2.2
335.14047	1.7
357.13315	2.2
374.18878	2.9
405.20663	1.7
433.20251	3.2
450.20361	4.8
477.19250	13.5
478.20026	11.7
492.14273	3.3
492.21478	59.8
493.21631	3.8
511.23398	1.6
539.26331	7.4
555.26489	1.6
559.66937	1.8
565.23962	1.5
583.25604	100.0
584.25812	6.0
615.28174	34.8
616.28192	3.9
641.25659	2.3
641.72705	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	659.329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80795	3.6
54.58010	3.5
55.01882	4.2
55.05966	3.6
59.01383	94.7
61.98842	49.8
69.03460	4.1
70.68029	8.2
71.01384	72.6
72.99288	5.1
73.02957	14.5
83.01385	5.2
85.02959	22.4
87.00845	5.6
89.01925	7.2
89.02439	58.1
95.01383	4.4
96.96020	7.7
101.02450	65.6
113.02467	28.3
119.03519	26.9
131.03534	9.1
143.03503	13.0
151.03876	3.8
153.22409	4.0
159.02985	4.0
161.04579	17.9
179.05621	83.1
193.87154	4.3
221.06702	20.2
335.22174	18.4
418.64621	5.7
437.25290	11.3
539.53857	4.1
566.33179	11.8
599.30841	100.0
600.31458	8.3
603.73828	4.2
659.32928	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	659.3403
Annotation	Khekadaengoside I
Peak:m/z	Relative Intensity
52.18081	3.9
59.01389	28.0
61.98835	46.5
69.09628	25.3
71.01389	12.5
74.99110	4.5
82.03010	7.8
83.01409	6.2
89.02416	9.0
101.02470	8.4
109.02954	8.6
109.04102	13.0
113.02405	6.4
116.92944	4.2
120.99658	12.4
123.04527	4.7
123.97800	3.9
125.02495	6.1
127.05130	66.2
128.03535	23.4
134.03734	13.5
135.04521	8.7
137.02454	8.8
137.09586	4.5
138.00529	4.3
145.02881	4.1
145.06195	8.7
149.02452	7.4
151.04074	8.5
153.01955	5.9
156.13956	4.9
161.02452	11.4
165.01984	5.0
179.03537	4.5
193.05074	14.6
251.17749	9.0
269.04703	21.4
270.04935	14.7
271.05988	5.4
289.07224	16.3
466.14224	6.1
479.27588	45.4
497.21429	7.1
497.28705	100.0
659.25397	4.9
659.34540	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57453	0.7
56.07771	0.7
59.01385	100.0
65.90037	0.6
71.40313	0.8
76.08488	0.7
78.95918	1.1
81.10683	0.7
113.48787	0.7
121.06393	0.8
137.57974	0.7
141.01717	70.5
142.02042	1.0
150.56956	0.7
248.77173	0.7
273.47256	0.8
279.23376	3.7
298.36569	0.8
315.82056	0.8
453.36572	0.8
492.18408	0.7
504.31271	2.4
660.31750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61392	2.3
61.98825	8.9
64.13088	2.3
66.44812	2.4
73.43805	2.1
78.95938	2.7
85.73428	2.5
94.06281	2.4
115.53258	2.3
157.90973	2.4
158.23630	2.5
167.98349	2.5
185.00737	2.6
202.89938	2.6
223.66605	2.4
455.35342	100.0
456.35675	8.4
477.70908	2.8
660.40723	3.2
689.94629	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	661.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16251	0.2
59.01360	0.4
61.51366	0.2
61.98829	0.4
66.95921	2.8
69.08363	1.3
71.01382	0.3
80.91679	0.6
82.95419	100.0
86.32928	0.2
101.02432	0.2
117.03489	0.2
127.04041	0.4
139.07736	0.2
145.02890	0.3
151.02454	0.2
151.03920	0.3
161.55234	0.2
185.32324	0.2
269.04514	3.2
270.04935	0.2
283.02423	0.4
300.26248	0.2
311.02234	0.3
577.13275	1.4
596.86444	0.2
661.13196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98832	0.6
66.95927	2.2
71.01385	0.7
80.91679	1.0
82.95424	100.0
83.05058	0.4
89.02480	0.4
101.02455	0.8
127.04043	1.1
139.07643	0.5
151.04073	0.3
154.84644	0.2
165.05565	0.3
250.65395	0.3
258.55820	0.2
269.04559	2.9
283.60303	0.3
295.09579	0.2
301.55627	0.3
445.84576	0.3
469.16162	0.4
533.33234	0.4
577.13538	0.8
601.10535	0.3
617.39136	0.7
629.24695	0.3
661.37274	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	661.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37815	0.3
56.40057	0.3
59.01384	1.1
61.98841	1.0
66.95935	2.6
71.01398	0.7
73.53587	0.3
80.91685	1.1
81.93729	0.3
82.95426	100.0
85.02944	0.4
85.67351	0.3
88.58578	0.4
96.96006	0.8
101.02481	0.5
113.02480	0.5
135.04521	0.6
136.01711	0.3
137.02545	0.4
163.04126	0.4
164.55971	0.3
165.01952	0.6
173.04616	0.6
179.03551	0.9
191.05623	0.8
195.06685	1.0
209.08345	0.3
233.81616	0.3
264.66428	0.3
269.04565	10.9
270.04840	1.9
271.05200	1.9
275.07718	0.6
277.88715	0.3
284.03421	0.5
285.03937	0.4
293.08777	0.6
300.09058	0.4
499.18463	0.7
577.15503	1.7
579.16626	1.0
601.12903	0.9
661.22809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08860	1.3
59.01385	25.4
61.98829	3.6
69.87560	1.3
71.01385	14.4
72.99293	4.1
73.02952	5.4
75.00877	2.1
83.01391	3.3
85.02931	3.9
87.00871	2.4
89.02458	16.0
96.96020	2.9
99.00887	12.8
100.01667	3.0
101.02429	9.3
109.02952	2.2
111.00880	11.8
113.02467	4.8
113.99599	29.7
115.00413	8.5
121.02967	11.8
128.01183	3.3
129.01961	1.7
130.03931	1.3
131.03494	2.4
131.99194	1.3
133.02968	2.6
134.03703	2.4
135.04573	7.4
137.02406	2.3
137.44269	1.3
145.52620	1.6
147.04517	8.3
148.23500	1.5
149.04567	8.8
153.01942	1.5
156.00664	47.2
157.01358	2.1
161.02461	2.5
161.04547	2.2
162.27235	1.6
165.05573	7.1
166.05948	2.9
172.22099	1.6
174.01707	100.0
175.02408	4.8
179.03503	7.9
191.05629	5.8
201.01935	1.8
207.06604	3.2
209.04611	7.7
285.04077	3.7
376.96365	1.3
460.16330	1.7
487.69855	1.8
499.17621	1.9
543.24359	6.3
561.25543	21.6
562.26764	1.7
601.25220	21.8
639.27631	1.4
643.26447	2.1
669.72516	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	661.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03437	1.6
59.01384	17.1
61.98840	6.6
69.15703	5.2
71.01035	0.8
71.01389	10.4
72.04556	3.8
73.02943	1.4
74.02451	1.3
82.02991	6.7
83.06127	0.8
84.04517	2.9
85.02953	3.5
87.00884	1.4
87.04531	3.7
89.02454	6.8
93.03448	1.1
95.05015	0.8
96.95976	1.0
98.21961	1.6
101.02462	4.7
101.07159	1.0
102.05572	0.8
109.02969	0.9
109.04082	10.8
110.02423	0.6
113.02445	3.8
115.00401	0.9
119.03493	2.3
125.03625	0.9
125.19666	0.7
127.05151	62.2
128.03552	24.8
131.03558	1.1
133.02910	1.2
135.04486	2.6
137.02502	1.4
137.09727	2.1
139.03967	1.1
139.08736	2.4
139.11337	1.1
145.05180	1.1
145.06209	15.3
146.04576	1.0
149.06032	0.8
155.10780	1.4
156.13950	9.8
161.02464	1.2
161.04478	1.6
169.12387	2.1
173.04375	1.0
175.02495	1.2
177.01962	1.5
179.03496	1.5
179.05623	1.1
184.13412	1.9
185.11798	1.0
191.05663	1.6
199.09810	0.8
215.12808	1.2
223.18175	6.4
229.14481	0.7
238.09575	0.7
251.17671	7.2
275.07562	0.7
280.17944	1.0
281.18677	1.5
291.23318	1.1
293.08533	0.8
309.24399	11.6
326.11465	0.7
327.25372	2.4
329.13895	1.3
353.23279	4.8
354.26666	1.2
364.54391	0.8
391.29507	2.0
393.31418	3.5
437.30527	3.9
455.31250	3.6
481.29218	57.5
482.29288	3.0
499.30283	100.0
500.30576	5.9
541.31219	2.8
660.58124	0.8
661.35614	60.0
662.25299	1.5
662.35266	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	663.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	45.6
59.01375	4.4
61.98831	3.5
68.44598	0.7
71.01392	2.7
71.41560	0.8
74.85051	0.7
81.03474	1.0
82.95441	0.8
83.01400	1.1
85.02956	1.7
85.48119	0.7
89.02443	1.5
93.03476	1.1
94.02996	1.1
96.95978	0.8
99.04527	27.4
101.02439	10.7
101.06100	0.8
108.02164	1.1
108.04580	1.1
113.02507	1.0
121.02925	3.7
122.03748	1.6
125.02457	19.5
127.05157	0.8
133.02992	1.4
134.03751	2.0
135.04556	1.6
136.01674	55.0
137.02455	2.2
145.06180	0.9
149.06062	1.0
151.04018	76.0
152.04416	1.6
160.05301	1.5
161.04596	1.0
163.04068	0.8
175.02425	0.8
175.04044	1.1
177.01924	1.4
177.05609	1.3
179.03477	1.5
201.01904	1.5
253.04759	2.6
255.03082	1.6
283.02527	4.6
305.04590	1.6
305.08948	1.1
309.07553	0.9
342.11151	6.7
357.13461	100.0
358.13733	3.9
361.16507	1.6
427.83298	0.8
446.08383	2.4
501.17773	1.8
519.18500	1.4
541.82086	0.8
553.21057	1.3
595.21960	2.6
613.22961	1.5
645.25232	1.1
663.25946	1.3
663.37793	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	663.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37244	2.3
57.03439	2.5
59.01391	14.8
61.98839	17.9
70.79690	4.0
71.01392	4.6
75.84321	2.9
75.84770	2.5
84.04541	2.5
85.02948	3.4
87.00832	2.9
89.02432	3.1
96.96017	2.5
101.02462	6.5
109.02944	2.9
111.00883	9.7
113.02450	3.4
118.72909	2.4
121.02945	3.9
122.03796	2.7
136.01677	60.7
145.64424	2.4
149.02443	3.0
151.04022	86.6
161.02428	5.6
169.65096	2.2
177.01935	6.4
179.03482	4.6
201.42297	2.4
222.86594	2.5
285.86719	2.1
342.11133	4.5
343.11566	2.7
357.13443	100.0
358.13962	5.4
391.49005	2.5
410.10059	2.5
501.18454	4.2
663.37769	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	663.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	20.1
59.01389	100.0
61.98832	51.4
64.77196	6.0
66.35825	5.4
71.01398	49.9
73.02940	7.6
73.66929	5.6
74.02473	6.6
83.01398	8.8
83.05067	4.8
85.02956	10.1
85.06596	5.5
85.66895	5.9
89.02451	39.3
90.24800	4.7
96.04579	4.7
99.04527	11.4
101.02447	29.5
108.02187	5.2
109.03004	8.3
113.02467	25.5
113.14464	5.7
116.92875	10.2
119.03510	18.5
121.02908	5.1
123.04500	5.7
125.02473	12.1
125.03504	7.0
128.03496	5.6
133.03008	5.9
134.03749	9.4
135.04582	6.0
136.01698	14.4
137.02441	9.8
151.04041	21.7
160.00745	7.5
161.02423	11.7
161.04593	8.8
163.04108	5.6
164.40047	6.4
167.03488	6.8
177.01944	14.1
179.05704	10.7
179.07140	7.9
179.69904	5.0
181.28801	5.0
189.01971	12.7
191.37631	6.5
225.05167	5.7
235.00780	5.1
253.04716	48.7
271.05911	12.1
305.04565	32.7
357.13568	42.5
450.62344	5.5
465.11945	6.2
501.19879	7.6
663.37762	26.0
663.50403	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	663.3754
Annotation	Rubuside J
Peak:m/z	Relative Intensity
52.36829	1.3
56.93481	1.2
59.01383	21.9
61.98817	3.5
64.94599	1.2
71.01386	10.6
71.48108	1.3
75.00848	1.2
78.95022	1.1
85.02940	1.7
88.54881	1.1
89.02438	9.9
90.27478	1.1
97.45425	1.3
101.02477	6.1
113.02467	5.6
116.92866	5.2
119.03513	3.9
179.05624	3.0
207.72569	1.3
219.27791	1.3
360.62030	1.3
402.93439	1.3
457.33188	6.0
501.32233	100.0
502.32547	5.8
515.33722	4.5
543.33325	20.1
637.62402	1.6
663.37531	72.9
664.38104	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	663.3754
Annotation	Quadranoside V
Peak:m/z	Relative Intensity
59.01379	6.9
61.98838	1.8
67.99175	0.7
69.51794	0.7
69.67925	2.8
71.01404	2.8
73.02953	0.9
82.95436	3.8
85.02962	1.1
87.04525	1.4
89.02433	1.2
98.21983	0.9
101.02457	1.2
112.57260	0.7
113.02486	3.1
161.04573	1.2
250.87566	0.8
288.14590	0.9
409.31192	6.9
425.30652	8.7
427.32205	16.5
439.32367	1.0
453.30099	1.5
456.70874	0.7
471.31146	94.0
472.31546	6.1
483.31131	2.4
485.32697	6.5
501.32242	100.0
502.32483	5.0
513.32220	16.5
515.33923	1.2
543.33301	26.9
544.34039	1.1
573.33624	1.0
603.35272	2.4
633.36432	2.9
663.37506	96.1
664.37738	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	664.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17750	0.4
61.98835	100.0
69.79475	1.2
82.83207	0.4
107.81293	0.5
133.73033	0.4
150.41438	0.4
161.97195	0.4
207.52356	0.4
210.72389	0.4
331.99585	0.4
400.49460	0.4
524.29028	0.4
579.27258	0.6
603.24634	0.4
628.21533	0.8
678.23395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.2
57.03456	7.2
59.01384	36.3
69.03458	17.7
71.01384	40.2
73.02934	7.6
81.03440	4.7
83.01382	6.8
83.05040	7.2
85.02953	30.9
87.00867	3.6
87.04513	4.7
89.02451	13.2
93.03442	8.5
95.01392	8.0
95.05032	5.7
97.02943	3.7
97.06596	1.7
99.00891	3.4
101.02433	17.0
107.05018	5.0
108.02171	3.7
109.02908	3.5
111.00942	1.5
111.04517	9.9
113.02456	44.0
113.06070	2.7
115.04008	1.7
117.03451	2.5
119.03508	5.1
121.02981	7.9
122.03794	11.7
123.04556	14.3
123.45081	1.5
125.02406	2.8
125.06058	4.1
130.02692	1.6
131.03522	17.3
132.02159	7.1
133.02956	19.0
134.03751	40.1
135.04546	36.2
137.02437	8.0
137.06053	1.9
139.03996	2.2
147.04491	1.7
149.02443	17.0
149.06081	11.7
150.03236	77.3
151.04016	7.8
153.05505	1.8
160.01656	34.8
161.01089	3.1
161.02451	56.5
161.04480	2.9
161.06126	2.0
162.02850	1.8
164.04828	2.9
165.01941	31.4
165.05579	58.8
175.04015	46.6
176.04529	2.8
177.01938	5.7
178.02740	12.0
179.02025	2.8
179.03506	36.4
179.07053	3.1
180.04295	24.6
181.05067	6.5
191.07076	3.9
193.05072	38.8
195.06641	71.2
207.06708	2.4
217.05128	1.7
221.04617	1.5
235.06137	7.1
237.06165	2.9
243.08736	6.5
275.07748	100.0
282.08844	2.6
293.08807	40.9
323.07693	10.8
323.85974	1.5
341.09695	5.9
355.10696	2.0
369.11847	5.2
373.12863	4.3
389.12354	5.4
421.15460	2.5
467.11752	2.5
468.12854	8.4
469.13498	92.7
470.13544	2.5
483.15219	7.1
503.11832	22.1
523.14624	3.7
617.18774	5.3
647.19556	2.7
665.20850	80.7
666.21295	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	665.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	13.9
59.01385	34.0
60.81820	2.4
61.98829	2.6
63.96129	2.2
69.03450	17.0
69.31951	11.1
71.01388	20.0
73.02948	2.8
76.36464	2.1
82.95417	3.7
84.15549	2.2
84.50810	2.5
85.02950	10.6
87.00869	10.6
87.04518	3.1
89.02459	15.1
93.03435	3.5
94.44629	2.4
95.01386	3.5
96.62036	2.2
101.02455	14.9
105.03484	2.4
108.02181	3.2
109.02956	3.5
113.02477	28.0
119.03519	6.3
119.05002	5.2
121.02951	10.4
122.03734	10.0
123.04547	10.8
125.02452	5.8
131.03505	15.3
132.02197	11.0
133.02943	11.8
133.05106	3.3
134.02731	4.1
134.03754	76.7
135.04564	20.8
137.02432	3.3
145.02916	3.7
147.04489	5.2
148.01884	2.6
148.05276	3.7
149.02475	25.3
149.06090	15.1
150.03242	68.6
151.04031	14.8
151.11327	2.5
160.01671	62.9
161.02470	38.3
161.06029	4.2
164.04849	6.9
165.05603	37.3
173.05971	3.0
173.55809	2.1
175.04012	80.6
176.04785	12.7
177.01927	5.5
177.05524	3.2
178.02753	12.1
179.03511	10.1
179.07094	3.5
180.04262	3.6
181.05080	7.3
185.57816	2.5
191.07095	11.0
192.04335	4.3
193.05080	40.2
195.06648	7.3
195.13904	6.7
196.29213	2.4
199.09726	3.3
207.06618	6.2
220.03635	3.1
221.04283	3.0
235.06117	18.1
239.12883	27.1
247.06067	3.8
262.91470	2.6
265.07184	3.8
267.06534	3.3
275.07727	12.3
281.06674	3.3
282.08984	7.3
283.91980	2.3
293.08813	49.2
294.08917	3.4
295.08267	4.0
318.62396	2.8
323.07614	3.1
327.08823	4.7
337.09427	5.0
341.10480	21.0
355.11517	5.7
371.11389	5.6
383.11346	5.7
389.12500	16.7
467.12842	4.3
467.19168	6.2
469.13474	100.0
469.99527	2.5
470.13849	5.5
483.15201	8.3
523.14557	17.2
525.68542	2.9
617.18829	33.7
618.18408	2.9
633.19025	3.3
647.19751	20.3
665.20880	96.8
666.21338	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	665.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29858	2.6
51.36116	2.5
59.01383	23.1
69.03458	11.5
69.19006	11.7
69.19424	6.9
71.01383	14.3
85.02950	6.2
87.00883	6.8
89.02459	9.6
93.03440	3.0
94.21035	2.6
95.37379	2.8
101.02441	10.0
113.02464	23.6
119.03532	5.5
121.02920	8.4
122.03738	9.7
123.04526	7.4
131.03513	6.5
132.02171	10.9
133.02966	15.0
134.03761	39.2
135.04546	13.1
136.01680	4.9
137.02414	3.7
147.04555	5.3
149.02472	15.3
149.06068	11.9
150.03244	68.7
151.04031	19.4
160.00427	3.8
160.01671	43.2
161.02446	40.4
164.04822	4.6
165.05579	59.6
175.04021	66.4
176.04729	9.3
177.01906	3.3
178.02744	11.2
179.03439	5.2
179.07129	8.5
180.04224	6.0
180.24908	3.2
181.05067	7.9
191.07150	9.3
193.05067	34.0
195.06660	18.0
221.04486	3.1
235.06100	13.1
254.19623	3.2
275.07806	14.9
281.06839	4.1
282.08850	3.7
293.08817	51.2
332.37665	3.0
339.08966	3.2
341.10107	8.3
355.10233	3.1
357.13339	4.5
383.11508	3.7
389.12360	8.8
467.12045	3.6
468.12787	9.4
469.13498	100.0
470.13861	6.1
483.14954	8.3
523.14746	9.9
556.38843	3.4
617.18597	11.3
647.19659	6.3
665.20795	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.4
63.80861	1.7
69.30501	1.7
71.01379	20.6
73.02966	3.3
85.06587	12.9
87.00887	3.4
89.02442	14.1
101.02457	6.9
109.41946	1.7
113.02430	4.1
113.06118	2.3
115.00397	7.8
115.04024	3.3
119.05027	46.1
131.03598	3.6
133.01439	15.4
135.04555	3.7
149.04565	6.8
150.37660	2.1
161.02440	3.9
163.04022	100.0
179.03516	6.1
179.05574	3.1
189.07639	2.7
191.05569	7.0
251.51096	1.9
277.57660	2.1
279.05057	5.5
398.75681	1.8
503.12329	2.5
575.27045	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	665.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53445	2.0
57.03456	59.8
59.01384	58.3
61.98834	35.4
68.12875	2.4
71.01392	28.7
73.02956	15.9
76.64614	2.6
83.01398	5.6
84.95095	2.3
85.02971	6.5
85.42299	2.1
87.00892	4.2
89.02457	29.6
95.01392	2.5
99.04544	25.4
101.02458	44.0
113.02459	17.4
116.92845	2.5
117.83228	2.5
119.03508	14.9
123.04539	7.7
125.02459	19.0
127.05140	5.0
128.03549	3.1
131.03485	2.6
134.03748	2.6
134.06085	2.1
135.04582	2.7
136.01700	3.9
143.03496	5.4
145.02956	3.8
145.06227	3.4
149.04532	3.9
151.03995	5.2
161.04570	18.4
178.02696	2.8
179.05672	14.5
186.25238	2.4
191.05600	2.9
193.05115	7.5
206.56081	2.3
221.19159	2.7
255.10254	4.0
263.07846	2.8
283.09778	20.8
285.04007	3.7
295.09613	3.9
311.09277	56.4
323.09985	3.6
325.10895	4.3
326.11609	43.0
327.12045	4.4
329.14044	2.9
341.13968	100.0
342.14224	3.8
357.13440	4.7
359.14822	4.3
388.39172	2.6
462.49008	2.4
491.19431	7.4
503.19055	5.6
665.25439	4.5
665.35449	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	665.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	32.8
59.01387	8.2
61.98833	4.5
71.01390	4.8
71.41547	0.9
73.02923	1.3
82.95389	0.6
83.01408	0.6
83.07384	0.6
85.02955	1.8
87.00878	1.8
87.08202	0.6
89.02455	2.6
96.96008	0.8
97.06621	0.6
99.00887	1.0
99.04536	13.7
101.02457	11.8
102.65405	0.5
108.96786	0.6
109.02980	0.9
113.02448	1.3
116.92866	1.6
121.02961	2.5
122.03754	1.1
125.02462	8.6
127.05138	0.8
128.03589	0.9
133.03011	0.6
133.83533	0.7
134.06117	0.7
135.04532	1.5
136.01724	1.1
136.05296	0.8
137.02466	1.0
143.05051	0.7
145.06314	0.5
147.04521	2.0
149.02560	0.8
150.03261	2.3
151.03976	1.0
158.03813	2.1
159.04504	6.5
160.04163	0.8
160.05312	21.4
161.02457	1.4
161.04585	1.8
161.06084	6.7
161.08185	1.0
163.04024	2.1
164.04782	2.0
173.06050	2.9
174.06853	0.8
175.07646	17.9
176.04813	0.9
177.05630	4.2
178.06384	8.6
179.03551	1.5
192.07948	4.5
193.08737	2.9
285.04221	1.1
293.08777	0.9
297.11310	1.7
314.11716	1.4
326.11652	0.7
327.12582	1.2
329.13965	100.0
330.14316	5.8
341.13995	1.8
345.13446	0.7
359.15070	17.9
360.15421	0.8
368.73846	0.6
521.20532	1.4
533.29376	4.2
584.17938	0.6
665.24426	1.5
665.37805	3.4
666.37164	2.2
669.36163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15230	0.8
52.75647	0.8
55.01874	3.4
57.03439	2.2
59.01384	22.8
61.43067	0.8
61.98828	5.4
70.03545	1.6
71.01019	1.8
71.01387	23.0
73.02958	10.3
83.01390	4.9
84.11568	0.9
85.02961	13.4
86.00088	0.8
87.00901	1.9
89.02455	5.3
95.01418	2.2
97.02939	1.5
99.00873	2.6
101.02454	17.3
111.00903	1.0
113.02444	7.7
119.03473	1.4
125.02424	1.2
131.73897	1.2
134.57994	0.9
143.03590	1.5
159.03027	1.0
161.04561	2.4
175.39455	0.9
237.77931	1.0
439.00745	0.9
459.33646	1.1
622.63129	1.0
665.37567	100.0
666.37964	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	666.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
57.04081	0.7
59.01376	2.9
60.48161	0.7
60.99185	0.7
70.07709	2.0
71.01382	0.9
73.24272	0.8
73.88242	0.8
80.75938	0.7
83.05035	32.9
96.96010	2.8
98.22512	1.0
109.06593	2.0
109.50082	0.7
111.04525	1.9
116.05067	2.4
118.03003	1.6
125.02438	0.8
128.75949	0.7
130.06642	1.7
134.06091	1.7
135.08199	2.1
142.06689	1.1
143.00897	0.7
144.04564	28.4
146.02499	10.8
146.06168	1.0
147.08195	3.3
151.07681	3.0
153.02000	1.0
153.05592	12.4
158.06142	8.6
160.04050	1.3
162.05644	2.6
163.11261	0.9
169.10225	1.6
174.05644	0.9
176.07185	5.1
186.05592	3.6
187.11333	7.2
191.05675	1.3
204.06624	5.9
204.54858	0.8
205.12350	10.3
230.04610	0.9
235.13438	10.9
297.13455	100.0
298.13745	4.1
308.07675	1.1
350.08829	2.0
368.05499	1.4
368.09885	23.8
369.10159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59540	0.4
52.94302	0.3
59.01381	0.4
60.99311	19.9
63.07946	0.3
71.01376	0.5
88.71277	0.3
88.98814	100.0
89.99162	0.6
98.22614	0.9
112.52615	0.3
117.03462	1.4
118.12921	0.3
119.05023	0.4
141.19740	0.3
141.21320	0.3
145.02966	3.4
159.04637	0.4
161.02469	0.5
239.34824	0.3
239.59032	0.3
268.03918	0.5
269.04575	23.8
270.04904	0.8
353.03220	0.4
577.13568	18.4
578.13861	1.0
616.10608	0.3
667.03497	0.9
667.38074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
60.99309	18.9
61.98832	2.2
71.01369	0.4
88.98811	100.0
89.99149	0.5
101.02426	0.5
117.03465	0.8
123.65122	0.3
145.02922	1.6
150.06819	0.3
161.02484	0.4
163.04065	0.6
177.01955	0.3
201.11397	0.3
220.53664	0.3
235.79163	0.3
236.54776	0.3
253.04584	0.3
268.03424	0.4
269.04547	10.4
270.04813	0.6
321.20779	0.5
358.94165	0.7
523.22180	0.3
577.13489	4.6
631.05194	0.4
666.48486	0.4
667.03381	1.1
667.38068	0.7
689.83325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.2
69.03468	2.4
69.29634	2.9
71.01394	7.5
71.05009	0.7
73.02952	0.7
79.95763	3.6
83.05036	2.6
85.02956	2.2
87.00898	1.5
89.02461	6.6
93.03506	1.0
94.70181	0.7
96.96022	100.0
99.00893	0.8
101.02446	6.7
111.04509	2.9
112.01669	0.9
113.02458	9.3
114.93394	3.2
115.00368	1.6
115.04085	1.0
118.96633	2.0
119.02737	0.8
119.03515	2.9
123.04523	0.8
125.25889	0.6
131.03534	4.2
137.02437	1.2
146.96153	1.0
155.03545	1.4
156.98154	1.2
168.98059	0.9
168.99280	1.2
170.99760	2.1
173.04581	1.0
179.05609	0.8
186.99286	2.5
191.05641	6.0
192.05978	1.2
213.00844	1.0
229.00323	3.4
231.01944	1.5
241.00729	1.0
275.07910	3.5
283.01279	0.8
293.08847	12.7
301.02502	1.5
317.08737	6.6
331.03680	17.0
347.09833	2.2
377.10641	1.6
391.05621	18.6
392.05978	0.8
569.17273	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	667.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61899	0.2
53.68095	0.3
59.01386	0.6
60.99312	15.3
65.98271	0.2
67.39291	0.3
69.49117	0.4
69.49449	1.1
71.01385	0.4
73.06887	0.3
85.02953	0.3
88.98814	100.0
89.02453	0.5
89.99146	0.6
101.45438	0.3
113.02472	0.4
171.31927	0.3
176.72319	0.3
178.30927	0.3
179.64230	0.3
199.02527	0.3
207.91698	0.3
224.68918	0.3
232.00697	0.3
236.35179	0.3
269.04553	5.9
270.04892	0.5
314.12408	0.3
341.61234	0.3
384.79010	0.3
445.03702	0.4
556.52399	0.4
577.15222	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	667.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66416	0.5
57.03445	0.6
59.01379	2.4
61.46431	0.6
66.84145	0.6
67.01881	0.7
69.30508	3.0
71.01389	5.4
73.02923	0.8
81.03430	0.6
82.49718	0.6
83.01393	0.7
85.02946	1.5
91.01949	0.6
96.96011	1.6
97.73524	0.6
99.00897	0.6
99.62185	0.5
101.02444	2.6
107.01379	1.7
108.02167	3.7
109.02956	11.6
113.02451	2.7
121.02937	0.8
123.00893	1.0
123.04536	4.6
125.02455	1.4
133.02948	2.7
134.03751	55.5
135.04054	1.2
137.02472	4.4
139.03984	1.2
145.06467	0.6
147.04550	1.5
149.06085	12.6
150.03259	2.1
151.00394	2.5
151.03874	0.8
152.01160	4.3
153.01952	21.1
160.01698	1.0
161.02435	0.7
165.05585	1.4
166.02602	1.3
167.03508	16.4
175.03984	1.8
176.04729	1.8
177.01935	1.3
177.17436	0.6
177.65143	0.6
178.02739	28.4
179.03249	1.2
191.07129	2.1
192.04326	6.8
193.05069	48.1
194.05438	1.3
195.02972	0.9
195.06688	0.7
207.06717	4.1
209.04572	0.6
223.06224	0.6
235.06186	3.1
272.70825	0.6
296.05392	2.6
297.06201	13.9
311.07730	26.8
461.14294	0.7
471.13959	1.5
473.10782	0.9
505.13547	100.0
506.13953	6.2
547.14600	3.4
667.18994	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	667.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	47.2
64.75230	2.3
69.03459	15.0
69.05671	18.0
71.01389	26.6
73.02955	19.2
75.00877	5.8
82.95420	3.6
83.01363	7.0
85.02953	17.1
87.00883	14.6
87.04527	3.4
88.98773	4.4
89.02450	23.1
93.03484	4.2
95.01393	3.1
96.96037	3.4
98.87450	2.4
101.02431	18.5
108.02117	3.4
109.02988	4.2
113.02458	36.6
116.92863	10.0
119.03489	6.8
121.02943	9.2
122.03708	7.9
123.04517	9.3
123.84272	2.4
130.02721	4.5
131.03514	16.1
133.02995	5.2
133.05049	5.0
134.03705	6.1
135.04512	8.9
136.05305	7.8
137.02420	3.0
145.02956	4.2
146.03754	5.7
149.02425	23.8
149.06096	5.4
150.03249	61.8
151.04086	15.7
159.04501	2.5
160.01677	4.0
161.02452	11.8
161.04575	3.9
162.03281	3.0
164.04787	6.7
165.05595	47.0
167.03537	2.6
169.61594	2.6
175.04016	4.6
178.60289	2.4
179.03545	5.3
179.07138	7.0
180.04230	5.5
181.05051	7.9
181.06560	2.3
184.73346	3.1
193.05147	5.0
195.06673	31.9
208.61417	2.3
209.08243	6.2
219.06607	3.5
237.07542	7.0
275.07645	13.3
293.08804	40.0
311.09018	6.0
329.10419	4.2
329.13837	5.5
341.10114	5.7
343.11862	25.9
367.11783	2.9
373.12854	5.5
391.13986	20.5
412.11606	2.9
415.13965	3.7
469.13663	16.8
471.14639	9.0
485.16730	3.5
505.13458	4.0
525.16180	10.7
619.20197	21.9
631.20038	4.4
649.21356	31.4
667.22369	100.0
668.22675	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	667.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03450	0.3
59.01389	3.7
61.98836	3.8
69.65179	0.3
71.01387	2.7
73.02945	0.9
77.03999	0.3
83.73592	0.3
85.02969	1.1
87.00866	0.4
87.04526	0.7
89.02452	1.4
95.01364	0.4
99.00890	0.4
101.02425	1.9
101.95165	0.3
105.03465	1.0
113.02469	1.1
115.01914	0.3
116.02800	0.3
116.18182	0.3
117.03484	1.0
118.05420	0.3
119.03546	0.6
123.04596	0.3
125.02436	0.9
128.03514	0.3
131.03452	0.3
132.02190	2.5
133.02977	36.3
134.03339	0.8
135.03502	0.5
135.04541	10.1
135.08168	0.8
137.09732	2.4
139.04076	0.4
150.00766	0.3
155.10791	9.3
156.11057	0.4
161.02461	100.0
162.02789	1.9
169.12407	0.4
179.03510	5.6
179.05203	0.4
181.08743	0.4
199.09758	2.9
200.10092	0.4
203.03432	0.4
213.11345	0.6
216.74171	0.2
241.10852	0.9
339.20605	0.3
498.58109	0.3
505.19073	0.4
553.76874	0.3
607.37164	0.5
625.37909	0.3
667.22418	36.9
667.39569	0.9
668.22729	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	667.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64308	0.6
59.01384	3.2
61.98845	1.5
62.76517	0.5
67.03185	0.5
69.33224	2.6
70.32047	0.6
71.01421	2.2
73.28482	0.5
85.02993	0.9
89.02477	1.2
89.79416	0.6
101.02457	0.9
109.02969	0.5
110.52875	0.6
113.02486	0.7
118.04268	4.0
119.05011	1.1
125.02463	0.7
133.02940	0.8
134.03792	1.6
135.04532	1.7
142.15651	0.5
145.03017	1.1
147.04477	1.2
154.73686	0.5
161.02486	1.2
162.03273	4.6
163.04045	2.2
176.01202	1.7
177.01950	4.4
179.03522	0.9
185.06047	1.5
189.01874	3.0
190.02728	19.7
191.03319	1.7
193.05034	0.8
198.06857	1.1
199.07663	14.3
199.09473	1.1
200.08156	0.9
203.03574	2.6
204.04178	0.7
222.01744	3.4
225.05635	2.5
227.07045	3.0
229.05055	5.2
230.05806	3.8
231.06490	1.1
243.06604	19.6
244.07378	5.6
267.06735	1.8
269.04718	0.9
297.11557	0.8
299.12878	26.4
300.13290	1.8
325.10818	8.3
343.11862	100.0
344.12180	5.0
355.11923	0.8
372.24304	0.7
385.12985	2.1
414.01025	0.6
487.16171	4.9
505.17200	92.2
506.17566	7.0
547.17963	0.9
667.22345	21.1
668.22656	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	667.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	11.6
59.01384	13.4
60.99326	1.4
61.98833	4.3
69.81206	3.2
71.01376	4.0
73.02941	3.1
73.14901	1.1
83.01378	1.2
85.02985	1.4
88.98808	7.1
89.02432	1.9
91.74478	1.1
99.04492	1.8
101.02477	4.9
113.02411	1.5
116.92880	1.2
117.03472	2.2
118.04316	1.3
125.02440	1.3
133.05138	1.1
135.04523	1.0
145.02962	5.7
151.04057	1.5
161.02444	1.7
161.04494	1.6
162.03241	1.7
177.01920	1.6
185.06116	1.3
189.01988	5.8
190.02744	15.0
195.06393	1.0
199.07657	5.1
201.01968	1.6
203.03519	2.6
205.05130	1.0
215.07205	1.4
222.01729	2.9
226.06198	1.1
229.05040	3.0
230.05849	1.6
243.06635	43.5
243.09143	2.1
244.07353	7.3
257.08063	3.1
269.04514	4.0
269.08154	1.4
271.09781	2.3
287.09259	5.9
313.14474	2.3
328.13168	3.1
329.13998	13.0
330.14331	1.6
343.15573	6.2
345.13422	2.1
346.14053	1.8
347.15015	19.4
361.16733	4.3
375.14374	2.9
389.16061	3.3
403.17444	1.0
491.19131	3.1
505.20718	2.5
508.19180	1.8
523.21875	100.0
524.22089	6.6
565.22968	68.2
565.30066	1.0
565.32263	1.5
566.23083	3.9
577.13300	2.4
605.26123	15.6
606.26624	1.1
667.26428	22.3
667.37677	4.4
668.26147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.278
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82719	1.4
70.88128	2.3
78.95917	1.7
80.40073	1.3
92.92833	1.9
152.99629	2.3
199.82788	1.6
211.08846	3.1
223.12442	1.7
236.05728	1.5
237.06613	3.6
237.62241	1.3
269.09305	2.3
301.32733	1.7
308.43326	1.6
447.18289	2.8
475.17688	4.8
489.19312	15.3
490.19855	1.8
533.18121	6.3
534.18640	2.0
548.20685	2.2
549.21356	5.1
635.25146	100.0
636.25421	13.5
637.26605	2.0
667.27722	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81607	1.8
60.95171	1.8
71.45280	3.0
75.21627	2.1
78.95927	2.1
92.92804	2.1
125.14840	2.2
126.75568	2.3
146.09677	2.3
152.99500	2.9
171.10298	10.6
211.08775	6.0
237.06763	4.4
277.21793	6.3
475.18021	3.9
489.19376	15.0
490.20389	4.4
533.18445	6.8
547.73962	2.5
549.21204	5.6
620.23767	2.5
635.25201	100.0
636.25964	19.6
637.26160	3.1
667.27722	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.7
61.98863	2.8
69.96442	7.5
69.96810	6.4
81.91653	3.2
106.06640	3.3
116.92890	4.7
152.99660	4.8
171.10294	3.8
211.08835	4.5
237.06688	3.7
277.21753	4.0
298.22910	4.0
435.48801	3.3
448.45776	3.7
456.46585	3.4
475.17758	10.7
489.19287	15.0
490.20654	3.8
505.23428	4.3
533.18860	6.3
534.19214	6.0
549.21130	15.4
559.23657	4.9
635.25140	100.0
636.25714	10.0
667.27728	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74701	0.3
55.01884	0.7
57.03436	1.2
57.48079	0.3
59.01384	11.6
61.98832	1.5
69.37187	0.6
69.37586	1.3
71.01391	6.4
72.99310	0.9
73.02955	1.5
83.01399	1.1
85.02944	2.4
87.00883	5.5
88.98800	0.7
89.02438	3.0
93.03465	0.5
95.01364	0.5
98.21805	0.3
99.00884	0.4
101.02450	4.5
109.02956	0.5
111.00902	0.4
111.08148	0.4
112.98809	0.7
113.02496	2.2
119.03508	1.1
121.02978	1.4
123.04510	0.7
123.08186	0.5
125.02459	0.7
125.09784	0.4
127.11224	0.4
130.99901	0.7
131.03539	0.4
133.02966	0.5
135.04558	1.4
137.02390	0.4
139.11279	0.4
147.04562	0.4
148.04054	0.9
149.00909	0.9
151.04015	0.3
155.10825	0.8
159.36430	0.3
161.02452	0.5
171.10300	2.1
177.01961	1.4
179.03500	1.1
185.11855	1.8
191.05666	0.7
222.18253	0.3
225.11249	0.3
281.10846	0.3
315.11023	0.3
355.25040	2.7
373.25970	9.2
392.30493	0.3
465.24643	0.4
505.26343	0.5
517.30176	1.7
523.22168	0.6
535.31293	100.0
536.22900	0.6
536.31549	5.6
551.30988	0.7
593.72174	0.4
667.31885	9.1
668.32080	0.3
670.74469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92532	0.4
55.01861	1.4
57.03443	1.6
59.01384	45.1
61.98825	2.5
69.03445	0.7
69.33469	2.8
71.01022	0.8
71.01391	12.0
72.99316	1.0
73.02950	5.3
83.01390	2.4
85.02960	7.8
87.00887	6.7
87.04515	0.6
88.98798	1.1
89.02444	2.2
93.03461	1.9
95.01391	1.4
96.96013	0.7
99.00874	2.2
101.02454	11.9
105.01991	0.4
109.02957	1.9
111.00895	2.0
112.98859	0.6
113.02451	5.6
116.92848	0.8
121.02937	0.9
123.08166	1.4
129.01942	0.6
130.99911	1.1
133.02936	1.5
135.04547	3.4
137.02464	1.4
141.09323	0.6
147.04546	4.3
149.00949	3.1
155.10791	1.8
159.03099	1.0
159.04495	1.0
161.02463	2.4
161.04567	1.0
165.04045	0.8
171.13863	0.6
176.01164	3.2
177.01889	2.6
179.03496	3.1
191.03502	3.5
191.05630	1.6
199.09766	1.7
269.08249	1.4
277.21719	2.4
295.22763	1.7
300.58258	0.5
329.14169	0.6
339.05084	1.5
343.14011	0.7
362.19403	1.8
373.25833	0.9
439.26932	1.5
450.30533	0.5
457.28107	2.1
471.11768	0.5
475.29153	1.3
505.09406	1.2
517.29926	0.6
535.17981	2.5
535.31287	100.0
536.31384	4.9
667.30505	4.7
667.39050	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	667.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
59.01386	34.4
61.98839	2.4
69.03469	20.9
69.09085	4.8
69.09491	4.1
71.01388	21.0
71.01745	2.2
78.95953	1.4
83.01395	2.5
85.02944	8.8
87.00887	8.3
87.04522	2.1
89.02451	16.1
91.67611	1.3
95.01395	3.0
97.02983	2.0
98.22703	2.5
101.02467	14.7
111.04510	3.6
112.98544	2.1
113.02460	57.4
115.04053	2.5
119.03521	10.3
123.04571	2.1
131.03516	11.4
133.05075	5.3
139.03905	1.7
155.03558	3.2
161.04559	1.5
163.98831	1.4
165.05574	3.2
171.10275	9.9
179.05643	1.5
199.13463	4.0
203.05640	1.5
249.18602	1.4
275.07727	18.3
277.21747	56.4
293.08817	100.0
373.23917	3.2
389.10925	34.6
406.89020	1.5
407.11996	2.5
553.30536	1.9
667.33582	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	667.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.3
55.38350	0.6
57.03443	2.7
59.01385	42.9
59.70633	0.6
61.98829	4.6
63.90012	0.6
69.03458	1.1
71.01386	26.3
72.99277	1.9
73.02952	10.6
74.95843	0.7
75.00853	0.8
83.01403	5.3
85.02956	11.1
87.00857	3.1
89.02451	12.7
93.03459	0.9
95.01389	1.7
96.74395	0.6
97.02935	1.6
97.06582	0.7
97.20948	0.7
99.00903	4.7
99.04483	0.8
101.02457	20.9
111.00883	2.0
112.49577	0.6
113.01858	0.7
113.02462	8.3
115.04027	1.3
116.92792	1.5
119.03502	4.3
123.04458	0.7
123.08133	1.4
125.02441	1.8
125.52178	0.7
129.01987	0.9
131.03586	2.5
135.04509	1.7
137.02443	1.7
143.03468	1.7
149.00879	0.7
151.04012	0.8
155.10695	2.0
156.11050	0.9
159.02882	1.4
160.04063	1.2
161.02423	1.3
161.04536	2.5
165.05511	0.8
171.03232	0.7
177.01952	0.8
179.03435	1.1
179.05594	1.2
185.11783	1.0
190.05046	3.4
191.05507	2.3
199.09735	0.9
233.06851	0.9
277.21637	2.9
287.22400	1.0
295.22687	2.1
325.16403	1.1
328.01230	0.7
329.13806	1.0
362.19534	1.0
406.64145	0.7
431.26041	1.0
439.26944	1.4
449.27283	1.5
457.28165	1.7
475.28970	0.9
487.32742	1.7
491.28589	6.6
505.34036	1.5
534.19611	0.8
535.20129	6.1
535.31372	1.1
589.31964	1.1
607.33868	3.5
667.35547	100.0
668.35925	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	667.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.5
80.18434	1.2
123.59699	1.2
142.50009	1.3
144.01160	1.6
149.48993	1.3
154.76292	1.3
178.19753	1.4
197.02223	4.9
245.05226	1.2
245.74442	1.3
251.86307	1.4
255.04256	1.3
391.71213	1.4
439.32199	37.9
440.32324	3.6
469.33252	100.0
470.33707	10.1
667.36298	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	667.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95021	1.3
100.44031	0.4
109.68136	0.4
166.57362	0.4
182.37799	0.5
188.65494	0.4
197.02261	3.2
265.43863	0.5
326.45767	0.5
339.27170	0.5
407.33200	3.1
436.62628	0.5
469.33264	100.0
470.33646	7.7
562.20398	0.4
667.36212	11.7
668.36633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42706	0.7
56.48852	0.7
61.98826	1.1
62.43296	0.7
68.39182	0.7
69.32609	0.8
70.32229	0.8
70.32545	1.1
77.13969	0.7
88.70489	0.7
108.28062	0.8
144.38817	0.7
197.02290	3.8
228.67476	0.8
234.00743	0.7
418.59991	0.7
430.51813	0.7
446.17572	0.7
469.33255	100.0
470.33765	6.9
667.36401	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	667.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
60.24817	0.6
61.98830	0.9
197.02304	2.6
379.30435	0.7
395.29507	2.0
409.91980	0.5
423.32513	3.6
425.34457	1.1
467.31567	2.9
469.33234	100.0
470.33560	8.3
479.27988	0.6
667.36353	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	667.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	2.1
89.22827	0.8
93.85523	0.8
125.27540	0.9
197.02151	1.9
277.51611	0.9
423.32715	2.5
425.34225	2.1
469.33276	100.0
470.33646	6.6
495.32712	0.9
667.36053	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	667.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01296	0.6
55.01885	2.0
56.53458	0.5
57.03456	1.7
58.00608	1.6
59.01387	100.0
59.33451	0.6
59.62171	0.6
60.57128	0.5
61.98837	2.0
70.87031	0.8
71.01389	52.2
72.99332	1.8
73.02953	4.5
83.01379	3.3
85.02965	11.4
87.00900	3.6
89.02457	53.9
95.01398	4.6
99.00926	1.6
101.02456	32.3
106.32450	0.6
111.00897	1.3
113.02470	20.3
113.28136	0.7
119.03516	26.5
125.02506	0.9
131.03473	3.1
133.02989	1.2
135.04562	1.1
143.03532	5.2
149.04585	2.5
155.10841	1.2
161.02478	1.2
161.04558	5.4
179.05629	14.1
179.07167	1.0
190.05139	1.8
191.05597	1.1
206.17865	0.6
222.80092	0.6
240.46547	0.6
287.22336	0.8
418.28610	0.7
449.27625	1.4
487.32886	7.8
491.28653	4.2
505.18839	0.9
505.33795	3.9
534.19928	1.1
535.19983	4.2
667.39197	81.5
668.39563	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	668.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97441	0.2
59.01381	0.8
61.98835	100.0
69.32101	0.2
71.01408	0.5
77.83257	0.2
87.36398	0.2
88.98806	0.2
93.03507	0.2
101.02467	0.3
105.01974	0.3
116.92888	0.7
117.93034	0.3
135.04630	0.2
149.66594	0.2
191.05612	0.3
227.03654	0.4
239.03394	0.3
247.63025	0.2
255.03006	2.0
283.02499	5.8
284.03165	1.1
285.04065	9.1
286.04544	0.3
416.07712	0.9
473.10861	2.8
535.31348	0.3
536.31970	0.3
554.19293	0.2
560.64075	0.2
605.15186	8.6
606.15387	0.4
657.59564	0.2
667.37891	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44293	0.5
50.90204	0.5
57.19794	0.5
59.01384	18.4
60.99316	18.1
61.18259	0.4
61.98835	1.4
61.99646	0.7
69.78389	1.7
71.01387	11.4
85.02962	2.0
87.00909	0.6
88.98818	100.0
89.02454	17.3
89.99149	7.3
90.99240	1.1
95.01383	1.1
101.02464	6.2
108.11558	0.5
113.02474	5.7
119.03513	7.0
126.12615	0.5
127.30313	0.5
131.03511	1.0
143.03481	1.6
143.35028	0.5
149.04530	0.6
161.04573	1.2
162.02881	0.5
163.28813	0.6
179.03461	0.9
179.05626	5.0
181.50597	0.4
191.05594	1.2
195.37830	0.5
209.50258	0.5
269.04626	7.8
270.04901	3.2
285.04050	0.8
371.15125	2.4
454.53168	0.6
463.73819	0.5
577.16064	0.9
578.15778	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	669.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.99602	1.3
59.01387	10.1
60.99290	1.6
61.98832	8.1
69.21345	7.4
71.01390	4.5
72.99264	1.9
73.02973	1.3
83.31123	1.7
88.98833	10.1
89.02431	4.1
96.96022	2.1
101.02433	3.0
108.02187	1.7
109.02927	1.8
113.02453	2.1
115.01505	1.2
121.02946	1.9
123.04520	2.7
125.02457	2.5
135.04549	7.5
136.01695	3.3
136.05312	2.2
137.02451	1.6
149.06181	1.4
150.03227	4.8
151.04036	3.8
152.01157	2.5
161.02437	4.8
163.03987	1.6
165.05585	5.3
166.06371	1.6
167.03528	7.9
177.01970	11.9
178.02646	1.7
179.03534	7.3
179.07175	1.4
193.05049	2.6
195.06633	8.1
200.04903	1.3
204.00627	3.3
205.01407	31.4
206.02115	5.4
213.05551	3.4
215.07120	6.2
217.01476	8.2
218.02179	6.6
231.06604	4.6
235.06213	1.5
241.05023	3.3
246.05383	1.7
258.05273	9.7
259.06122	49.5
260.06812	10.8
269.10349	4.2
272.06906	2.3
301.14307	1.5
311.07706	9.0
315.12326	1.6
327.12292	2.6
343.11871	45.0
344.12576	17.4
345.13443	88.3
346.13681	5.1
357.13571	1.4
363.18326	2.4
385.13132	1.3
389.73611	1.5
506.17920	2.0
507.18741	59.3
508.18930	4.0
519.21234	2.0
549.26721	1.5
587.66449	1.3
625.24921	1.6
669.24023	100.0
670.24365	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	669.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76517	0.5
59.01386	16.1
60.21976	0.6
61.98817	0.8
71.01387	8.9
72.99307	0.5
73.02955	1.6
73.17253	0.5
75.00864	0.7
82.86223	0.5
83.01410	1.2
85.02981	3.2
87.00892	6.4
87.04545	0.7
88.98841	0.6
89.02457	6.1
93.03485	0.9
95.01437	0.9
99.00841	0.7
101.02454	5.4
113.02435	3.6
116.92931	0.5
119.03514	1.9
127.43275	0.5
133.02881	0.7
134.03746	0.7
135.04588	0.9
149.00935	1.0
149.04543	0.7
149.99202	0.5
155.10779	1.2
157.12338	1.1
161.02425	0.8
178.02502	0.5
179.03549	0.7
185.11887	0.7
191.05559	0.9
281.37411	0.7
285.04120	1.3
327.25574	0.6
329.23236	0.8
339.25378	1.0
357.26483	11.0
373.25763	0.8
375.27539	10.9
385.28101	0.6
387.51874	0.7
419.19357	1.1
507.28122	0.8
519.31824	1.1
536.31500	0.9
536.63110	0.6
537.32831	100.0
538.33124	4.6
553.43005	0.6
669.33771	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	669.3858
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
50.57708	1.3
51.43661	1.1
59.01387	2.8
61.98826	3.1
69.14295	1.2
70.23077	3.1
71.01374	1.8
85.02965	1.7
101.02453	2.5
139.11258	1.5
143.51486	1.2
149.06120	2.0
150.06880	49.1
163.07661	6.8
164.08423	12.5
179.10800	29.1
185.11862	4.6
264.48877	1.3
319.94897	1.5
327.21774	20.5
365.20313	1.5
489.32425	6.7
492.31396	1.5
506.32489	3.9
507.33267	34.3
508.33954	1.5
669.38660	100.0
670.39014	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	669.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.1
61.98826	3.5
62.98454	1.3
69.62029	6.1
88.90470	1.2
93.87531	1.5
98.22611	2.0
123.08134	1.4
126.04197	1.4
140.42702	1.4
150.06882	30.9
151.44939	1.3
163.07658	13.2
164.08443	7.8
179.03441	1.4
179.10814	17.0
185.11856	3.8
225.57588	1.6
227.17337	1.4
270.05237	1.6
325.23828	2.3
327.21768	13.4
461.49637	1.5
489.32318	2.7
506.32471	17.0
507.33319	28.9
508.33673	2.6
512.80432	1.4
669.38629	100.0
670.38818	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	669.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
57.03444	2.2
59.01387	51.0
61.98829	2.1
69.03445	0.8
71.01391	35.7
72.01703	0.5
72.99303	1.2
73.02952	7.9
75.00858	0.7
82.95420	1.3
83.01417	4.5
85.02469	0.9
85.02964	14.9
87.00880	1.8
89.02459	15.9
89.03020	0.9
95.01404	3.4
97.02977	0.6
99.00890	3.4
101.02459	23.0
111.00933	2.9
113.02456	13.4
119.03519	5.8
125.02483	0.7
129.01912	0.7
135.04482	1.0
143.03502	1.6
159.03012	1.3
161.02449	0.8
161.04544	3.7
179.03491	1.1
179.05623	2.1
241.46896	0.5
299.25906	0.7
345.30112	1.7
377.87668	0.5
507.27844	1.0
507.35419	17.1
508.35764	0.8
637.57611	0.6
669.40741	100.0
670.41187	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	669.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59469	1.1
53.19462	1.0
55.01889	1.8
56.82553	1.0
57.03445	2.2
59.01383	27.7
61.98822	4.5
69.26134	0.9
71.01386	25.1
72.99319	1.2
73.02953	8.5
83.01389	4.9
85.02951	11.5
87.00860	1.0
87.16346	1.0
89.02449	8.4
93.03486	3.0
95.01384	3.2
96.95992	1.1
99.00877	3.0
99.79742	1.0
101.02444	20.6
103.51653	0.9
108.55084	1.1
111.00877	2.9
113.02479	8.9
115.00372	1.0
119.03503	2.4
135.04529	2.0
137.02492	2.3
141.41605	1.2
159.02972	1.1
161.04524	1.9
181.04985	1.2
191.05602	1.0
281.06650	4.4
299.26135	1.5
308.36594	1.1
345.30008	2.8
408.31381	1.1
442.42081	1.3
507.35464	9.1
525.55743	1.1
606.15308	1.1
669.40692	100.0
670.41010	10.1
694.20551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
59.10266	0.5
61.71412	0.4
61.98832	100.0
69.76408	1.5
73.02963	0.7
75.88505	0.5
80.94549	0.5
83.01352	0.5
85.02967	0.5
88.98837	1.6
89.02420	0.5
100.55038	0.4
101.02476	1.7
117.03490	2.4
119.05047	1.4
126.68545	0.5
137.24875	0.4
145.02957	6.0
150.06886	1.6
153.79738	0.4
156.63974	0.4
163.07700	0.6
179.10762	0.9
247.07979	0.5
255.03122	1.2
256.03757	1.2
269.04517	0.6
284.03262	23.2
285.03860	2.8
299.05597	40.9
300.06052	1.6
307.08264	1.5
469.15790	0.8
506.32599	0.8
507.33237	1.2
508.33292	0.5
556.96948	0.6
607.14594	27.0
608.14923	2.8
669.38898	2.8
670.27051	0.5
670.39105	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	670.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69633	0.7
59.01381	2.1
61.34818	0.7
61.98834	100.0
67.55998	0.9
69.75893	2.4
77.32545	0.8
89.60659	0.9
89.82890	0.7
98.17538	0.8
145.02963	2.8
187.97115	0.8
284.03226	10.9
299.05576	15.2
300.05884	1.0
322.20712	0.8
369.17142	0.9
373.71744	0.8
409.63428	0.8
450.72293	0.8
493.85596	0.8
607.14716	8.5
608.15106	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	670.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.5
69.28521	20.5
71.01398	5.1
71.58431	6.1
74.60918	4.6
87.68906	5.5
96.95988	13.0
97.67516	5.4
113.26817	4.7
116.05060	6.8
118.02986	7.5
121.02954	6.4
130.06633	8.6
144.04553	100.0
145.76401	5.5
146.02515	32.4
158.06126	27.2
176.07135	15.0
186.05629	9.8
204.06665	23.8
308.07779	11.3
350.08783	17.3
368.09869	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.4
59.01384	30.5
70.72210	3.0
70.78811	3.3
70.79139	4.8
83.01366	4.2
84.48166	3.4
87.00873	22.4
89.00365	3.6
93.03457	4.3
94.36238	3.7
96.96039	38.2
98.46442	3.6
103.00365	19.6
109.02950	7.7
121.02982	16.8
123.00887	8.2
123.04533	9.7
125.02461	24.7
130.99879	12.4
135.04561	5.5
137.02470	11.4
138.03253	3.3
142.68372	3.1
148.58144	3.9
151.03951	5.7
153.05582	15.2
161.02426	17.3
166.99844	7.6
167.03513	23.8
175.03999	15.1
182.02203	27.0
187.03859	3.7
197.04552	100.0
215.07227	3.7
227.03529	5.0
227.07114	4.1
241.05061	6.3
265.04980	3.9
283.06131	5.2
287.05533	6.3
293.04602	5.3
295.06183	6.0
297.04233	3.9
309.03983	6.6
329.05161	29.4
339.08716	8.4
343.06833	3.4
351.05109	4.2
383.07950	6.6
407.07840	8.3
449.08823	6.4
459.10895	13.9
459.51770	3.7
494.02344	4.0
501.11777	9.7
501.70752	4.1
503.09900	50.0
504.10526	6.6
519.09167	14.5
545.11163	30.8
671.14618	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	671.323
Annotation	Unknow
Peak:m/z	Relative Intensity
85.66447	0.3
87.99088	0.4
92.92797	1.1
94.92518	0.6
94.94568	0.3
104.02704	0.8
106.87115	0.4
107.05029	0.8
118.04250	1.2
132.02051	0.4
133.02948	0.4
139.33702	0.4
145.02968	1.3
148.01633	0.8
148.28696	0.4
155.08673	0.5
161.02486	1.0
162.03198	1.8
171.08194	1.1
176.01199	1.3
181.06503	0.5
185.06099	1.2
187.07639	0.9
189.01978	4.7
190.02737	9.3
190.45204	0.4
191.03441	1.2
197.06033	0.6
198.06845	1.1
199.05814	0.7
199.07652	13.9
200.04684	0.4
200.08252	0.8
201.01962	0.6
201.05608	0.6
203.03545	1.1
204.04239	0.8
211.07677	0.5
215.07141	1.2
222.01674	1.7
225.05614	1.6
226.06329	0.8
227.07088	2.5
229.01410	0.7
229.05063	5.6
230.05801	2.3
243.06630	50.5
244.07401	8.0
257.08179	0.7
267.06674	0.7
269.08145	3.9
311.12939	1.6
312.13678	16.2
313.14456	57.6
314.14679	1.8
327.12396	0.8
327.16043	10.4
328.13141	5.9
328.16635	0.8
329.13943	5.3
330.18530	0.4
343.11612	0.7
343.15503	7.7
343.19336	0.7
353.13980	0.9
359.15005	0.6
369.13275	1.0
383.18890	0.5
457.31317	0.4
560.63037	0.4
641.27246	0.5
671.32294	100.0
672.32751	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	671.3229
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
70.05955	1.6
78.95908	3.5
93.85505	1.4
137.81168	1.5
152.99632	3.4
165.25812	1.5
189.01933	4.9
190.02751	7.7
199.07651	12.3
225.05556	1.8
229.05022	3.7
243.06636	54.0
243.36888	1.6
244.07344	7.1
257.08142	4.1
286.71243	1.7
286.86841	1.6
311.12894	2.6
312.13681	11.9
313.14450	45.3
313.18103	2.2
327.12622	1.7
327.16058	9.2
328.13135	7.2
329.13953	6.2
343.15561	7.8
353.18744	11.0
404.27405	1.6
428.48676	1.6
521.59509	1.7
595.28729	2.3
671.32324	100.0
672.32904	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	672.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54026	0.7
56.31231	0.7
57.03450	0.8
59.01374	1.2
61.98835	7.5
64.07353	0.7
69.27306	2.7
70.18048	0.7
73.80048	0.8
76.70617	0.8
83.01434	1.0
84.25797	0.7
87.39243	0.6
101.55135	0.7
109.02969	1.1
121.03024	1.0
125.02437	3.8
137.02478	1.9
148.39301	0.7
151.00389	2.7
161.02481	1.6
163.00371	0.8
165.01912	1.1
187.03967	1.2
199.04132	1.5
211.03963	1.0
221.04570	1.6
227.03568	1.7
231.03111	0.8
243.03018	3.3
255.03009	2.4
271.02509	36.7
272.03064	1.8
289.07315	0.9
299.01974	78.2
300.02664	9.8
301.03558	34.2
302.03925	1.5
334.80035	0.9
422.86722	0.9
434.80493	0.8
446.08569	30.5
447.09155	11.8
463.08981	5.3
609.14600	100.0
610.15063	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	672.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24635	1.9
58.49655	1.6
59.01387	3.3
61.98834	2.2
69.85170	3.7
69.85521	4.0
71.01405	2.6
82.01186	1.9
90.50317	1.7
108.02171	2.1
114.06745	1.8
115.04779	2.0
115.09024	1.9
125.45483	2.0
129.29565	2.1
150.75940	2.0
151.00395	9.2
152.01138	2.1
178.99867	4.0
191.05544	2.9
195.75102	1.8
202.57841	2.1
243.02974	4.1
255.02962	17.1
269.18903	1.9
271.02469	35.6
300.02780	76.1
301.03500	27.4
325.65878	2.0
609.14636	100.0
610.14996	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	672.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76356	1.1
57.03454	24.3
59.01082	1.8
59.01385	36.9
65.67541	1.2
69.03467	47.3
79.05539	18.2
81.03441	1.7
83.05027	2.1
87.00917	1.4
93.03503	1.3
96.96027	3.2
107.05059	10.7
109.02962	4.6
113.02470	100.0
114.02838	2.0
121.02946	9.3
121.06600	4.8
123.04583	2.2
132.04555	1.6
133.02948	5.7
133.06584	1.7
137.06131	3.3
141.07117	7.2
148.04062	5.6
151.04016	23.9
152.04332	1.3
156.05853	3.5
157.06586	6.4
159.08199	9.5
165.05611	10.6
169.06577	2.0
169.10234	3.0
171.08170	35.1
171.09537	2.5
172.08838	2.3
173.06189	1.4
185.06052	3.8
185.09702	2.4
187.11351	9.6
195.08206	2.5
200.08539	1.9
203.07085	1.8
204.90894	1.3
211.11345	11.2
213.09254	20.3
215.07164	6.0
227.10854	2.6
229.12357	41.9
247.06190	3.7
255.10268	4.6
257.08188	1.6
273.11365	47.1
274.11713	2.7
310.09677	1.6
317.10297	3.8
324.05347	1.4
361.09085	13.8
606.81537	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	673.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	70.7
70.46894	48.0
70.58593	100.0
72.33584	51.2
72.89417	52.6
78.15525	48.0
82.98022	57.3
97.34318	48.3
98.21922	65.4
455.21494	55.9
470.78833	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	673.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
57.55991	0.8
59.01368	3.3
61.98820	1.9
70.48537	0.7
71.01377	2.8
73.02956	1.4
83.01380	1.2
85.02947	1.5
89.02429	1.0
93.03461	2.7
95.01379	1.2
96.96007	2.9
97.02967	0.9
101.02439	1.5
104.25169	0.9
108.02191	1.0
109.02967	1.1
113.02386	1.3
121.03015	4.0
122.03751	5.1
123.00896	9.6
123.04546	1.7
124.01669	15.4
125.02465	6.0
132.02191	8.7
133.02940	3.1
134.03737	12.9
135.04553	3.7
137.02480	5.3
138.03267	4.3
139.04018	6.8
149.02435	7.9
149.06093	2.9
150.03232	23.8
151.00366	1.7
151.03984	1.8
160.01669	47.6
161.02466	9.7
162.03076	0.8
164.04836	1.4
165.05576	19.0
167.03448	1.4
175.04010	57.6
176.04433	2.2
177.02003	0.8
177.05475	0.9
178.02704	1.9
178.99883	3.1
179.03505	2.2
180.04335	1.8
189.05589	1.1
191.07071	0.8
193.05093	11.0
195.06628	8.4
221.04607	1.1
235.06000	1.2
241.05089	2.0
243.03012	0.8
250.06448	1.0
250.53377	0.7
269.04474	1.2
271.02484	1.1
274.64032	0.8
282.08960	2.0
289.07263	1.8
299.01764	0.9
301.03494	1.3
309.07837	1.2
323.07773	1.6
337.09299	12.7
341.10306	10.1
349.12909	0.9
371.11270	0.9
371.76346	0.9
383.11081	0.8
385.09338	1.1
393.06851	0.8
403.83972	0.9
412.84070	1.0
421.06256	0.9
476.13123	1.0
477.14044	100.0
478.14377	6.8
485.14453	2.4
503.10223	1.3
511.19049	1.0
559.08575	1.6
625.19537	2.3
635.16223	1.5
673.22577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89864	1.3
61.98825	1.4
67.22437	1.2
69.05958	2.7
69.06354	9.3
73.02954	1.6
75.00888	2.1
94.92490	2.1
96.96037	2.1
104.52469	1.3
235.43634	1.5
241.11307	1.3
258.26645	1.6
466.16656	3.2
473.18106	2.6
479.17212	3.4
483.13403	1.8
483.20282	2.7
493.19272	1.9
510.15234	9.3
511.16519	2.0
521.18805	1.6
523.16364	3.2
525.17743	3.6
526.14862	12.1
527.15320	2.8
538.18866	2.0
549.13599	1.7
550.14893	3.3
565.17206	2.0
569.16840	11.2
570.17389	1.7
597.20593	1.9
599.16986	1.8
641.19098	8.6
673.21558	100.0
674.21844	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	673.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	12.2
61.98836	8.2
80.05069	7.6
82.66252	3.9
106.06622	4.2
107.03773	10.1
116.64586	3.5
121.02905	3.4
122.06127	48.9
134.06128	17.9
135.04497	3.7
136.01688	6.7
146.06075	3.6
151.04016	5.1
152.07175	60.7
174.05566	4.6
188.07094	6.6
210.96243	3.3
213.10321	16.1
225.10378	5.9
239.11905	11.8
241.13565	7.4
245.12968	4.1
250.07356	4.8
251.08269	5.3
253.09769	7.5
263.07877	4.1
265.09918	6.1
269.04605	4.9
277.09988	3.9
278.06873	7.0
279.07840	5.3
285.12570	26.2
293.09296	21.9
293.12540	6.7
294.09763	8.6
295.10876	16.2
307.10995	8.4
323.10178	5.5
337.08484	9.0
339.09497	4.5
347.30212	4.1
357.13483	4.7
358.15878	10.5
361.14252	3.8
400.16492	11.4
412.16690	7.1
459.18185	5.2
460.18634	11.3
474.20358	7.6
476.18024	5.5
481.75391	4.4
504.17667	16.2
518.19257	26.7
536.19690	5.9
550.22186	38.0
551.23328	4.4
565.24591	81.0
566.24481	6.7
597.27264	9.3
603.02747	4.3
609.23560	49.1
641.26245	100.0
642.26666	6.0
672.40533	11.8
673.28680	19.4
673.41071	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4175
Annotation	CHEBI:67338
Peak:m/z	Relative Intensity
57.98627	1.1
59.01386	5.7
61.98832	17.9
63.99256	1.5
69.05820	8.0
70.78554	1.2
71.01376	1.5
73.37002	1.0
75.06522	1.0
75.95998	1.0
83.05021	1.2
88.25163	1.0
89.02455	1.3
89.47319	1.1
93.80157	1.0
94.94089	1.1
95.88995	1.1
96.54660	0.9
101.02430	1.4
120.05804	1.2
122.06097	2.5
125.02507	1.5
125.06078	2.5
127.03984	2.6
135.04521	1.4
135.08188	4.9
137.06154	1.1
151.03999	1.4
151.07483	1.4
165.05551	2.5
220.42148	1.1
269.04553	3.8
299.05353	1.3
339.24887	1.2
433.33627	2.1
451.34250	12.8
493.35443	8.3
511.36090	1.4
518.17181	1.3
595.20007	3.2
607.19507	2.5
631.40656	3.9
673.41669	100.0
674.41760	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	674.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02306	1.1
53.85077	1.0
59.01385	9.9
70.02914	1.8
71.01392	2.5
80.41295	1.0
83.01370	1.1
88.13530	1.1
89.02462	1.0
92.05076	2.6
96.96043	6.2
98.22540	1.3
101.02426	2.1
103.04270	0.8
116.05077	9.4
118.03005	6.8
119.03493	1.6
125.02422	2.2
128.05083	1.3
130.06641	9.7
131.03755	1.7
132.04570	2.1
132.08202	2.2
134.06158	5.6
138.37405	1.0
142.06650	2.1
142.27705	0.9
144.04564	100.0
145.04881	3.7
146.02493	49.2
146.06172	1.9
147.02834	1.6
151.00360	1.2
153.01955	10.6
157.05315	1.5
158.06122	27.5
159.06473	1.4
160.04010	5.9
162.05627	8.2
174.05630	2.2
176.07170	18.0
186.05634	7.9
188.03560	2.8
204.06674	23.1
230.04590	5.1
305.06683	2.9
306.09885	2.2
308.07767	8.9
350.08804	11.8
368.09866	75.2
369.10251	6.1
416.93301	1.0
576.89783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
61.98842	1.6
77.85688	1.8
94.50851	1.4
102.38309	1.5
166.28636	1.6
190.02795	1.8
279.51056	1.5
329.14053	1.8
469.33267	100.0
470.33420	5.8
674.30200	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	674.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	1.2
70.55380	1.8
191.01389	0.8
191.03391	1.8
199.75270	1.1
224.17470	0.9
245.19078	1.1
333.66367	1.1
423.32581	2.7
425.34140	1.1
460.14896	1.1
469.33255	100.0
470.33557	6.3
502.24307	1.0
631.38940	1.4
674.29877	4.9
674.40314	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	674.993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83267	0.4
54.54648	0.4
59.01385	63.4
61.98852	0.5
65.71135	0.6
69.04160	3.6
75.49733	0.4
98.22716	0.9
124.27183	0.5
132.98189	2.1
157.03569	0.6
174.99258	32.5
181.40407	0.5
188.91843	0.5
192.95857	3.0
201.02567	4.3
217.00310	100.0
218.00687	1.5
301.84351	0.5
359.01471	10.6
374.99234	66.7
375.99478	1.5
417.51514	0.5
517.00232	1.7
532.98279	14.6
574.47491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51354	0.2
59.01379	0.5
61.98840	0.3
62.15401	0.2
69.69243	0.2
71.01385	0.3
78.86375	0.2
78.95915	0.5
79.95744	3.1
83.05006	0.3
85.02959	0.3
94.98100	0.3
96.96014	100.0
98.21900	0.5
101.02487	0.3
106.84269	0.2
117.03452	1.1
127.04019	0.7
145.02966	0.9
160.05211	0.3
161.02440	0.2
165.05467	0.2
225.07721	0.2
268.03857	0.4
269.04565	5.0
270.04791	0.4
325.00290	2.9
329.13770	0.4
339.99088	0.5
366.00354	0.3
367.01294	1.1
379.01328	0.5
405.77600	0.3
425.03430	0.5
427.05106	0.3
431.05136	0.3
470.03058	0.2
471.03860	0.4
546.35974	0.3
547.30865	0.3
577.13483	2.0
578.13879	0.4
615.07867	1.4
675.10406	6.3
676.10425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34880	0.2
57.03439	0.6
57.40012	0.2
70.76140	0.3
78.95934	0.2
79.95739	3.3
81.03487	0.2
83.01396	0.7
89.02413	0.2
93.03461	0.4
96.96017	100.0
97.02950	0.4
109.02959	1.9
116.59499	0.2
121.02943	0.4
123.04566	1.3
125.02457	4.9
133.02997	0.3
135.04552	0.2
137.02460	3.4
149.02420	0.9
151.04016	0.8
159.04591	0.3
161.02483	1.3
161.06114	0.5
162.03221	0.3
163.03954	0.3
164.01141	0.4
165.01915	0.8
175.03955	0.5
177.01944	0.8
179.03563	0.3
187.03990	1.0
189.01944	1.0
203.07187	0.9
205.05069	0.7
206.99789	0.3
219.03110	0.3
229.05080	0.4
231.03021	2.0
245.04546	0.3
245.08194	1.1
255.02988	0.6
273.04053	0.3
283.02844	0.3
287.05682	0.5
289.07214	6.1
299.05618	0.3
315.01898	0.3
327.01743	0.3
328.99695	0.3
347.00604	0.3
351.02008	0.3
355.01678	0.3
371.01041	1.3
379.01303	0.3
385.02240	0.3
397.02255	0.5
407.07678	1.3
411.00433	0.3
421.02286	1.0
425.08972	1.9
426.09091	0.3
445.02164	0.4
451.10410	0.5
463.03482	10.5
464.03790	1.0
489.05161	0.8
523.05286	0.4
577.13464	1.1
615.08160	3.0
694.96783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13739	0.2
56.80267	0.3
59.01386	0.6
59.26118	0.3
61.98829	0.7
64.23093	0.3
71.01379	0.6
78.95902	0.8
79.95741	3.6
89.02441	0.3
91.94582	0.3
94.98095	0.4
96.96020	100.0
117.03478	1.3
119.05084	0.5
127.04017	0.4
145.02972	2.0
148.31595	0.3
151.00401	0.5
151.04176	0.3
151.05853	0.3
210.93617	0.3
225.29219	0.3
243.53793	0.3
269.04568	8.0
270.04974	0.5
325.00269	6.2
326.00467	0.3
339.99106	0.8
366.00308	0.5
367.01440	2.5
370.88437	0.3
379.01321	0.3
393.02908	0.4
425.03741	0.5
427.05124	0.7
470.55457	0.3
471.04013	0.6
577.13348	2.0
615.08282	4.0
616.07990	0.4
645.07092	0.4
674.42065	4.1
675.10364	9.3
675.42480	0.8
676.11066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92286	0.2
57.03452	0.6
59.01381	0.3
69.67429	0.7
69.67780	0.5
72.08828	0.3
74.38416	0.3
79.95737	3.3
81.03474	0.3
83.01434	0.3
96.96019	100.0
97.02939	0.5
98.95638	0.3
99.06602	0.3
109.02975	2.0
121.02967	0.4
123.04539	1.3
125.02459	4.1
135.04538	0.4
137.02437	2.2
149.02448	0.5
151.03992	0.9
159.04613	0.3
161.02438	0.9
161.06105	0.5
164.01151	0.3
165.01967	0.7
175.04124	0.3
177.01936	0.9
179.03523	0.6
181.46333	0.2
187.04028	0.8
189.01979	0.7
203.07188	1.1
205.05174	0.5
221.08379	0.4
223.06091	0.8
231.02946	1.4
236.71873	0.3
245.04475	0.4
245.08223	1.2
255.03009	0.7
287.05609	0.4
289.07196	8.2
290.07507	0.5
299.05820	0.3
331.01163	0.3
352.90088	0.3
356.35040	0.3
371.00818	1.9
379.01581	0.5
385.02423	0.5
407.07779	1.7
411.00250	0.4
419.04498	0.3
420.53094	0.3
421.02429	1.0
425.08752	1.3
451.10284	0.7
453.01764	0.4
463.03513	6.5
481.04498	0.3
489.05054	0.4
523.05579	0.3
577.13885	0.8
615.08057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02330	0.2
59.01377	0.5
61.98832	1.3
69.17332	0.4
69.17738	1.1
71.01371	0.4
71.74540	0.2
73.02956	0.3
77.46071	0.2
78.95905	1.7
79.95739	3.1
83.01391	0.4
83.05042	0.5
85.02942	0.3
93.03465	1.1
94.98096	0.3
95.81495	0.2
96.96021	100.0
97.95915	0.2
101.02505	0.3
111.00892	0.4
111.04546	1.0
117.03509	0.2
118.96625	0.2
122.03793	0.2
135.04527	0.8
136.01703	2.3
137.02440	0.5
151.04010	3.4
155.03529	0.8
155.10776	2.3
156.11101	0.2
159.04581	0.3
161.02434	0.7
173.04651	1.3
179.03551	0.8
185.69022	0.2
191.05727	0.3
197.05876	0.3
199.09796	3.7
200.10155	0.3
243.02791	0.2
268.03809	0.4
269.04565	17.9
270.04990	0.9
310.83093	0.3
325.00305	1.7
339.99152	0.5
342.11301	0.3
357.13556	3.4
361.14990	0.5
367.01459	1.3
378.96170	0.3
475.18506	0.4
577.15814	3.3
578.15839	0.3
615.10449	1.0
675.12549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03428	0.9
54.06568	0.8
57.03457	1.2
59.01386	10.2
61.98829	2.2
69.03452	1.6
71.01399	5.2
71.43963	0.9
73.02934	2.3
83.01393	1.3
84.32140	0.9
85.02944	2.9
85.06580	2.3
89.02432	3.3
93.03474	1.6
94.27339	0.8
95.01404	1.4
96.96025	5.7
97.02942	1.0
101.02444	4.0
107.05051	1.1
109.02938	1.1
113.02448	2.3
113.06051	1.1
119.03512	0.8
121.02953	1.5
123.00898	2.9
123.04491	0.8
124.01683	7.4
125.02459	17.1
127.05199	0.8
132.02170	1.2
133.02974	9.8
134.03740	8.1
135.04541	88.4
136.01727	0.9
136.04852	1.4
137.02444	2.9
137.09778	1.2
139.04024	1.4
148.05348	2.0
149.06076	3.5
149.99622	10.3
150.06819	1.3
151.00423	1.4
151.03947	1.3
152.01166	1.1
155.10735	3.9
161.02463	32.8
163.07660	1.9
168.00644	17.9
168.99104	0.7
169.01387	3.8
170.50253	0.8
177.05618	4.3
178.02736	3.2
179.03516	100.0
180.03885	1.8
191.05605	2.3
193.05080	11.7
198.30325	0.8
199.09801	1.1
203.03607	0.8
207.06703	1.6
213.10571	0.7
221.04558	5.6
235.24915	0.8
253.86739	0.8
255.43294	0.8
281.06665	3.6
285.04025	1.3
286.04373	0.9
323.07712	2.8
341.08771	8.3
350.20880	1.9
351.21771	0.8
353.06564	0.8
355.10364	3.2
357.13586	1.0
383.09851	17.3
384.10129	0.9
408.49338	0.9
416.38873	1.0
425.11218	0.8
485.13004	2.5
495.14966	1.1
513.16119	22.0
513.27112	6.1
514.16675	1.2
555.17084	1.3
615.19482	6.2
675.21460	30.6
675.32043	2.3
676.22131	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	675.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.0
61.98836	1.8
69.09697	4.1
71.01385	4.7
75.00908	0.8
78.67741	0.6
85.02975	1.5
85.06605	3.6
89.02438	3.5
89.84230	0.6
93.03469	1.4
96.96017	2.1
98.22675	1.7
101.02458	3.3
101.49989	0.7
109.02963	2.2
113.02439	2.0
113.06146	1.1
115.03979	1.1
119.03500	1.4
121.02959	0.9
129.56012	0.7
131.03452	0.7
133.02957	9.9
134.03757	5.7
135.04539	67.9
136.04825	1.4
137.02448	3.4
139.04044	1.1
141.01669	0.7
147.04526	0.9
148.05301	3.1
149.06102	11.8
152.01120	0.8
155.10844	1.0
161.02460	53.5
162.02840	1.2
165.05846	0.7
177.04042	1.6
177.05588	29.1
178.02658	0.9
178.05901	0.8
179.03517	83.7
180.03868	1.9
189.05638	0.7
191.05595	1.3
199.09686	1.9
203.03485	2.3
221.04572	40.6
222.04965	1.0
225.86111	0.6
233.04630	0.9
251.05626	25.4
255.03073	0.8
269.08456	0.7
281.06699	100.0
282.07037	2.3
284.03458	1.0
285.04022	2.2
295.08289	0.9
315.24725	0.7
323.07825	4.2
341.08795	37.0
342.09052	1.3
383.09750	1.1
425.10922	3.0
443.11987	2.3
447.64447	0.6
455.11597	1.0
477.15729	0.8
485.13065	15.4
495.15677	0.7
503.14142	0.8
545.15302	2.0
593.15155	1.8
615.19409	10.2
675.22223	1.2
675.32733	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	675.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.0
61.98836	1.8
69.09697	4.1
71.01385	4.7
75.00908	0.8
78.67741	0.6
85.02975	1.5
85.06605	3.6
89.02438	3.5
89.84230	0.6
93.03469	1.4
96.96017	2.1
98.22675	1.7
101.02458	3.3
101.49989	0.7
109.02963	2.2
113.02439	2.0
113.06146	1.1
115.03979	1.1
119.03500	1.4
121.02959	0.9
129.56012	0.7
131.03452	0.7
133.02957	9.9
134.03757	5.7
135.04539	67.9
136.04825	1.4
137.02448	3.4
139.04044	1.1
141.01669	0.7
147.04526	0.9
148.05301	3.1
149.06102	11.8
152.01120	0.8
155.10844	1.0
161.02460	53.5
162.02840	1.2
165.05846	0.7
177.04042	1.6
177.05588	29.1
178.02658	0.9
178.05901	0.8
179.03517	83.7
180.03868	1.9
189.05638	0.7
191.05595	1.3
199.09686	1.9
203.03485	2.3
221.04572	40.6
222.04965	1.0
225.86111	0.6
233.04630	0.9
251.05626	25.4
255.03073	0.8
269.08456	0.7
281.06699	100.0
282.07037	2.3
284.03458	1.0
285.04022	2.2
295.08289	0.9
315.24725	0.7
323.07825	4.2
341.08795	37.0
342.09052	1.3
383.09750	1.1
425.10922	3.0
443.11987	2.3
447.64447	0.6
455.11597	1.0
477.15729	0.8
485.13065	15.4
495.15677	0.7
503.14142	0.8
545.15302	2.0
593.15155	1.8
615.19409	10.2
675.22223	1.2
675.32733	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	675.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.6
57.03691	0.6
58.51732	0.6
71.39190	0.7
79.95742	0.8
81.03475	4.6
83.01385	3.5
93.03427	1.4
95.05026	3.6
96.96017	30.2
97.02961	5.6
98.95604	1.2
101.26278	1.0
106.92915	0.8
109.02959	24.7
119.05001	1.3
121.02975	4.5
122.03751	2.0
123.04536	15.7
125.02457	19.0
135.04520	2.0
137.02437	9.7
138.03249	1.2
139.04010	3.2
145.02975	1.3
146.03737	1.5
149.02426	4.4
150.03160	0.8
151.04018	8.0
159.04526	4.1
160.05284	2.1
161.02483	1.6
161.06123	3.8
162.03149	1.5
163.03995	1.1
164.01115	2.9
164.04785	1.2
165.01964	4.8
167.03532	2.4
175.03957	1.8
175.07616	2.1
179.03510	6.0
185.02260	0.8
187.03986	3.7
188.04840	4.0
191.69601	0.8
193.08716	1.0
194.77254	0.8
202.06361	2.4
203.07146	12.5
205.05060	6.7
205.08707	1.6
208.03720	2.0
221.08191	2.7
223.06209	4.1
223.09766	2.8
227.07170	2.7
230.05811	0.8
245.08183	15.9
247.06183	1.3
289.07193	100.0
290.07547	2.5
291.07715	1.0
329.25409	0.7
363.46143	0.8
387.03979	1.0
463.03543	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	675.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23445	1.6
59.01389	12.8
61.98833	5.8
68.04076	1.6
69.05232	11.9
71.01397	2.7
80.05061	9.4
83.05042	2.5
94.03028	3.2
94.06647	3.1
96.96022	2.1
98.22613	4.6
101.02502	2.4
104.05076	2.4
106.06649	2.3
107.03784	5.7
108.04563	3.6
120.04602	2.3
121.05389	2.5
122.06131	32.2
124.04049	3.0
127.04018	5.1
130.06656	2.2
134.06102	6.2
135.04533	2.9
136.04085	8.6
138.05664	4.9
147.05643	3.5
148.04036	2.7
150.05620	10.9
152.07188	48.1
155.11003	1.7
161.04726	1.7
174.05617	4.0
175.05276	2.0
177.01961	1.8
181.74899	1.7
190.05193	2.1
201.10403	18.0
212.09441	2.5
213.10347	9.0
225.10393	2.0
227.11807	4.5
229.09854	18.7
229.13495	6.7
239.11813	8.5
241.09946	2.5
243.11273	2.1
245.12996	11.1
247.10973	3.5
249.10333	1.6
255.11383	10.2
257.12915	6.6
265.09641	2.3
267.11389	3.5
269.04419	3.3
273.12534	7.1
281.10284	2.2
289.12064	4.1
293.09207	1.9
295.10870	5.5
301.11890	23.6
313.11899	7.9
317.11646	2.2
319.12973	88.1
320.13446	5.6
323.10294	8.0
325.11865	2.8
327.13474	2.2
330.12405	2.1
355.13025	9.0
358.11786	2.5
359.12772	2.9
372.13522	4.2
374.14999	9.0
391.15329	5.5
392.16177	14.1
403.15048	2.3
416.15961	6.0
434.17261	4.3
539.23029	3.4
557.24249	19.3
558.24585	3.0
581.24310	7.5
599.25183	90.6
600.25549	6.4
602.23499	2.7
615.24396	2.3
631.36798	2.6
643.24146	100.0
644.24677	11.9
675.26575	35.7
676.27393	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	675.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	54.9
61.98825	95.1
69.61628	95.5
69.62018	100.0
111.24670	43.1
124.03340	40.8
145.17920	36.9
176.09470	42.4
311.12589	44.5
621.33026	64.5
651.42535	47.6
675.31396	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98819	68.3
76.47712	73.3
76.86065	69.5
82.55084	80.9
181.60277	67.5
182.39024	71.2
242.47911	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16389	0.3
55.01883	1.9
57.03451	1.3
57.69795	0.2
58.00594	1.0
59.01383	67.6
60.01711	0.3
67.01895	0.3
68.99824	0.7
69.03454	2.8
71.01388	43.0
72.01728	0.3
72.99310	1.6
73.02954	7.5
75.00879	0.9
81.03462	2.3
83.01397	4.4
83.05036	0.7
85.02956	9.2
87.00882	10.3
87.04549	0.5
89.02451	35.6
91.04021	0.7
93.03439	0.6
95.01394	2.8
97.02962	7.1
98.21803	0.5
99.00890	2.7
99.04543	0.7
101.02451	33.3
102.02825	0.3
103.00415	0.4
103.04015	0.7
105.98336	0.3
109.02967	0.7
111.00908	0.6
111.04530	1.2
112.01665	0.4
113.02459	16.8
115.04008	0.7
119.03510	12.0
121.02961	0.6
123.00893	0.3
123.04556	0.4
124.01680	0.6
125.02460	13.6
127.04041	0.5
131.03548	1.7
133.05077	1.5
135.04512	0.2
137.02380	0.4
139.04042	1.5
141.01962	0.7
142.02780	0.3
143.03517	6.4
149.04565	1.5
161.02504	0.4
161.04579	8.7
167.03497	1.0
169.05067	0.4
171.03052	0.4
179.05635	8.0
181.05005	0.5
182.15430	0.2
185.04549	0.7
199.06104	0.7
203.05630	0.5
217.07193	1.2
219.05057	0.2
221.06633	3.3
235.08238	15.5
245.06693	1.2
253.09300	3.9
259.20679	0.5
263.07678	1.8
277.09561	1.3
277.21744	100.0
278.22067	3.3
287.07776	3.8
291.23346	0.5
305.08771	4.7
323.09848	1.8
361.11353	0.8
379.12442	1.1
397.13522	85.0
398.13831	1.6
415.14587	39.2
416.14706	0.8
473.76077	0.3
675.35931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20736	0.6
55.01871	2.4
57.03437	1.9
57.33054	0.5
58.00574	0.8
59.01387	67.0
59.40568	0.5
63.49149	0.6
69.03471	3.0
71.01390	41.8
72.99315	1.9
73.02954	8.3
75.00838	0.8
81.03447	1.9
83.01376	4.2
85.02956	8.9
87.00892	10.3
87.01408	1.2
89.02453	40.8
95.01389	2.8
97.02960	7.7
98.21909	2.1
99.00883	2.8
101.02451	33.9
104.72640	0.6
109.02991	0.7
111.04485	1.5
113.01717	1.1
113.02464	17.6
115.04007	1.0
119.03516	10.9
125.02460	14.0
131.03500	2.5
133.05109	1.1
143.03542	5.7
149.04614	1.2
161.04570	8.1
167.03470	1.4
169.05141	0.6
179.05611	8.5
216.35754	0.6
217.07146	2.0
221.06677	3.1
235.08247	18.1
245.06703	1.2
253.09215	4.0
263.07739	1.9
277.09320	1.3
277.21744	100.0
278.22122	3.4
287.07700	3.5
305.08850	5.0
323.09796	2.4
335.97324	0.6
379.12589	1.2
397.13519	86.5
398.13876	2.4
415.14594	36.2
416.14850	1.8
577.97705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.3
61.98832	1.1
69.63246	1.8
71.01392	0.5
72.71889	0.5
75.18810	0.5
81.60625	0.5
94.34418	0.5
98.22006	0.7
113.02443	1.0
119.03539	0.7
190.02681	0.5
191.18678	0.5
313.14691	0.7
329.13861	0.8
407.33206	0.8
453.33780	100.0
454.34000	5.2
467.35272	1.0
615.38861	1.0
675.40704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83100	0.2
53.29334	0.2
59.01387	16.7
62.54351	0.2
63.76870	0.2
67.31180	0.2
71.01384	0.5
71.40776	0.2
88.86076	0.2
89.02459	0.5
96.96015	0.2
101.02468	0.9
113.02486	0.3
119.03539	0.4
144.46544	0.2
144.68291	0.2
158.63113	0.2
248.84970	0.2
259.30130	0.2
278.80899	0.2
326.47784	0.2
356.36566	0.2
453.33771	100.0
454.34140	9.0
465.48785	0.2
467.35226	0.6
615.39349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
61.98829	1.3
69.13988	5.3
80.05063	5.1
82.03007	2.9
83.05022	1.1
89.02486	1.1
94.02991	46.4
94.06631	6.9
95.50639	0.9
96.04551	3.1
101.02437	1.4
105.05830	2.2
106.06621	3.4
107.03794	9.1
108.04568	2.4
110.06157	1.3
120.08198	32.1
121.05363	1.3
122.06134	48.4
123.06547	1.7
124.07716	1.6
127.04048	2.4
132.04539	3.5
134.06146	8.1
135.04546	1.2
136.04063	1.7
138.05638	17.7
150.05618	3.3
152.07190	100.0
153.07530	3.1
158.02560	2.2
160.04028	1.4
162.05669	1.4
164.07202	1.4
174.05643	1.5
177.01958	2.7
181.10257	1.0
187.08754	1.1
190.05086	5.7
206.59686	1.1
211.12326	1.7
215.12009	1.4
223.08777	9.9
224.09567	3.3
225.10358	3.4
235.08740	2.1
235.12442	1.8
236.09583	1.8
237.10341	11.8
238.11029	4.5
239.11914	10.9
245.12988	5.4
249.06705	3.0
249.10234	2.7
250.07684	1.7
251.08257	3.5
251.11794	6.6
253.13464	2.4
257.12918	1.2
263.08228	4.9
263.11823	2.0
264.09024	13.1
265.09760	7.5
265.12888	1.3
267.11279	2.2
276.09012	3.9
277.09824	3.8
278.10654	5.5
279.11411	41.9
280.11938	5.5
281.12988	2.4
283.10855	2.6
291.08228	1.8
291.11389	11.9
292.12122	3.7
293.12808	2.8
295.10913	6.4
323.10257	8.4
324.11075	3.5
325.12195	2.3
334.15582	1.6
355.13037	3.5
376.16595	3.8
388.16589	3.0
389.17245	1.4
402.18362	10.3
404.20053	2.1
416.20108	1.9
417.20532	2.9
427.18597	1.3
430.17853	2.1
444.19385	10.2
445.19913	3.4
448.18762	5.4
460.18600	1.5
461.19519	3.5
462.20770	5.1
470.17184	1.6
471.17816	3.2
488.18350	26.1
489.19006	13.3
520.20917	52.5
521.20984	5.0
541.24554	11.2
583.25568	7.7
585.23584	24.4
586.23645	2.6
601.26776	4.2
617.26300	25.2
618.26129	2.7
627.24579	28.8
628.24817	3.7
645.25690	94.0
646.25812	9.6
659.27228	17.3
660.26825	2.5
677.28271	23.9
678.28772	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	677.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36273	0.7
59.01376	3.1
59.43347	0.7
61.98835	1.5
71.01382	1.1
75.90972	0.7
80.05048	3.6
82.02986	3.2
83.05077	0.8
88.37988	0.8
89.02422	1.1
94.02987	43.5
94.06628	5.4
96.04559	2.1
98.21800	1.6
101.02480	1.0
102.37567	0.8
104.05061	1.2
105.05862	1.9
106.06638	2.8
107.03774	8.6
108.04556	1.2
110.06104	1.8
110.62962	0.7
113.02440	0.9
120.04606	1.0
120.08199	31.8
122.06126	46.6
123.04515	0.8
124.07689	1.3
125.02459	1.0
127.04034	2.1
132.04570	3.0
134.06142	10.7
135.06931	1.5
136.04062	1.7
138.05621	17.3
148.04013	1.1
150.05603	3.0
152.07176	100.0
153.07500	1.2
158.02470	1.8
160.04031	2.6
162.05617	0.8
164.07135	2.7
165.05510	0.8
174.05672	1.2
176.03592	0.8
177.01949	2.2
180.06609	1.1
181.05154	1.1
190.05104	5.5
210.08110	1.2
211.08751	1.0
211.12355	1.9
214.68471	0.8
215.11874	1.5
221.10942	1.5
223.08733	7.8
223.12337	1.2
224.07542	0.7
224.09488	4.4
225.10378	3.1
235.08821	1.6
235.12373	1.7
236.09486	3.4
237.10336	13.4
238.11070	4.7
239.11900	11.6
241.13202	0.8
245.12900	4.7
249.06747	2.3
249.10445	2.4
251.08258	3.8
251.11887	6.9
252.12662	1.2
253.13487	3.3
254.00043	0.9
263.08258	6.2
263.11865	1.6
264.09039	10.2
265.09799	8.1
266.10535	1.6
267.11328	1.1
276.09021	1.8
277.09918	5.0
278.10587	6.7
279.11386	42.4
280.11871	5.7
281.12903	2.6
283.10931	1.8
291.11398	11.3
292.08698	1.2
292.12152	3.4
293.09161	1.0
293.12823	1.4
294.13885	0.8
295.10910	5.3
297.12488	1.9
299.99588	0.8
303.13535	1.8
305.09399	1.3
309.12488	1.1
311.14130	1.3
313.11929	1.9
322.09515	1.1
323.10358	11.1
324.11044	4.0
325.11963	2.5
334.15656	2.6
355.13043	3.5
356.13669	1.2
357.14798	1.0
372.17166	1.1
376.16553	2.6
376.20566	1.5
377.63058	0.9
388.16580	2.3
389.17484	1.8
399.19641	1.0
402.18301	9.2
403.18915	1.7
404.19867	1.2
412.16776	1.7
416.15704	1.5
416.20499	1.3
417.20569	1.9
426.17957	1.3
430.17896	1.0
443.18613	1.6
444.19440	11.1
445.20142	2.5
448.18799	5.9
449.18686	0.8
453.16678	0.8
460.18759	1.5
461.19635	4.4
462.20587	4.3
471.17874	3.2
488.18289	21.6
489.19080	11.9
499.22971	1.3
508.21033	1.4
520.20892	58.5
521.21539	3.9
541.24713	11.6
549.33246	1.3
583.25745	10.1
585.23486	26.8
586.24298	1.8
599.25464	1.2
601.26630	4.4
617.26160	27.9
618.26221	2.6
627.24554	27.5
628.24786	2.9
633.38849	1.0
645.25665	91.1
646.25757	6.7
659.27197	16.1
660.27252	1.1
677.28265	26.6
677.39526	1.6
678.28241	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	677.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63915	0.2
69.70080	0.8
79.05497	0.2
89.43955	0.2
91.21650	0.2
104.02694	0.6
107.05046	0.9
112.66597	0.2
133.02995	0.3
140.42551	0.2
145.02988	0.3
148.01672	0.8
155.08684	0.8
156.05850	0.3
159.08124	0.2
161.02435	0.6
162.03242	0.3
171.08191	1.7
173.06110	0.2
181.06616	0.5
185.06010	0.2
187.07671	1.6
189.01917	1.4
190.02728	2.6
190.49637	0.2
197.06152	0.3
198.06775	0.3
199.07657	6.0
200.08086	0.4
201.01945	0.9
201.05641	0.6
203.03531	0.2
215.07170	1.7
222.01657	0.5
225.05644	0.5
227.07173	0.3
228.04234	0.3
229.05028	0.5
240.15240	0.6
243.06624	73.3
244.07100	4.1
258.09042	0.8
284.14090	0.3
287.62125	0.2
297.11368	0.5
311.12772	0.3
312.13693	34.8
313.14053	1.8
327.16022	100.0
328.16364	4.8
662.28369	0.3
677.30951	11.5
678.31458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10358	17.3
66.99395	17.0
70.35988	42.3
74.13330	17.4
80.99268	17.2
91.84415	19.1
105.78091	21.8
123.83163	16.8
171.99062	19.2
184.65509	18.0
209.22571	20.7
211.13405	100.0
225.04312	18.3
263.99716	18.6
346.79871	19.8
491.75125	21.0
495.06476	21.4
512.93518	22.0
623.34491	36.0
641.35474	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	677.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08218	0.4
55.01874	1.2
57.03444	1.0
58.00601	0.7
59.01385	47.1
60.90931	0.4
69.03455	1.4
71.01389	31.7
72.99314	1.3
73.02950	5.8
75.00863	0.8
78.95917	0.5
81.03454	1.5
83.01409	3.6
83.92522	0.4
85.02959	7.4
87.00887	7.4
89.02454	28.3
91.03992	0.4
95.01378	2.6
97.02960	5.2
99.00893	1.7
101.02454	27.0
103.00365	0.5
103.92070	0.5
108.85029	0.4
109.02974	1.0
111.04523	1.2
113.02464	14.5
115.03977	0.7
118.99242	0.7
119.03516	9.2
121.02974	0.5
124.01723	0.7
125.02460	11.1
127.04031	0.7
131.03488	1.3
133.05061	0.9
139.04030	1.1
141.01958	0.7
143.03519	4.6
147.94702	0.4
149.04495	0.7
152.99611	0.4
160.16914	0.4
161.04573	7.0
167.03514	0.6
179.05637	6.5
185.04567	1.0
217.07187	1.2
219.05141	0.5
221.06664	1.9
235.08234	14.0
235.10617	0.7
245.06721	0.4
253.09387	3.3
256.48465	0.4
263.07779	1.3
275.06439	0.5
277.09476	0.6
277.21698	0.5
279.23312	100.0
280.23688	4.2
287.07974	2.3
293.24512	0.5
305.08789	3.8
307.54108	0.4
308.16669	0.4
323.09744	1.9
348.56708	0.4
353.39505	0.4
361.11426	0.7
379.12405	1.1
397.13525	76.3
398.13718	2.1
415.14581	32.6
416.14905	1.3
530.90497	0.5
595.28937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03456	1.0
58.00605	0.8
59.01384	52.3
67.48086	0.3
68.99834	0.6
69.03456	2.7
69.19475	1.6
71.01386	34.2
72.99316	1.1
73.02953	5.7
73.72040	0.3
75.00884	0.8
81.03459	1.6
83.01395	4.0
85.02953	7.1
86.00125	0.4
87.00877	7.5
87.04507	0.3
89.02451	31.7
91.04028	0.8
95.01401	2.6
95.47954	0.3
97.02951	6.0
98.22591	0.6
99.00882	1.9
99.04512	0.4
101.02448	27.1
102.02768	0.5
103.04034	0.4
109.02963	0.6
111.00894	0.6
111.04528	0.9
113.02455	13.5
115.04031	0.6
115.95976	0.3
119.02663	0.6
119.03509	9.2
119.04330	0.6
121.02962	0.4
124.01662	0.4
125.02451	13.4
127.04019	0.5
127.49490	0.3
131.03511	1.8
133.05060	0.9
139.04031	1.1
141.01944	0.6
143.03503	5.1
149.04553	1.1
161.04570	6.9
161.05870	0.5
167.03462	0.5
169.05170	0.4
171.03059	0.5
179.05618	5.7
185.04561	0.9
199.06079	0.6
203.05634	0.3
209.11783	0.3
217.07191	1.1
219.05090	0.3
221.06647	2.4
235.08241	12.8
245.06659	0.7
253.09302	4.0
261.22253	0.5
263.07718	1.8
277.09341	0.9
279.23309	100.0
280.23615	4.5
287.07718	3.2
288.07986	0.3
293.24872	0.4
305.08795	3.6
323.09814	2.0
379.12247	0.8
397.13519	75.4
398.13895	3.0
415.14597	31.7
416.14890	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	677.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25469	0.3
59.01372	0.6
69.38369	0.4
69.38777	0.8
72.04559	0.2
80.05052	0.4
81.03005	0.5
81.03464	7.1
82.06646	0.4
83.05035	19.4
83.97267	0.2
84.05331	0.3
98.21877	0.5
107.06129	0.4
108.04557	0.6
115.64375	0.3
125.07215	1.0
126.05632	0.6
135.04559	0.4
143.08252	0.8
146.28873	0.2
149.96532	0.2
157.13593	0.3
159.82851	0.3
161.02391	0.3
179.03555	0.3
207.15053	1.5
224.17754	2.8
225.16100	12.9
226.16344	0.5
242.18762	0.6
250.15726	0.4
268.16531	0.3
290.22482	0.3
309.21838	0.9
324.26654	0.9
333.22910	1.2
341.29214	1.1
367.27200	1.4
385.28604	0.3
426.18338	0.3
433.31943	1.3
450.34586	1.6
451.32895	6.4
452.33237	0.6
492.04684	0.3
509.62274	0.3
516.27942	0.5
550.43390	1.1
559.39349	0.3
565.44824	0.6
593.43823	0.7
604.71509	0.3
659.48877	1.9
677.49731	100.0
678.50037	12.7
678.61731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66751	1.9
53.67566	2.1
56.52615	2.2
57.03912	2.0
58.02987	15.7
59.01389	6.1
66.97068	2.3
69.61337	4.1
69.61696	6.9
71.01386	4.4
74.02478	35.5
82.03017	4.0
82.15359	2.3
85.01179	2.2
85.04095	2.3
86.02502	10.7
86.06131	3.3
87.05623	3.4
89.02433	3.6
97.02981	2.2
97.04085	4.3
99.05661	30.3
100.00388	2.9
101.02460	3.8
101.07253	6.4
102.05614	4.3
109.04114	4.7
112.04031	4.6
113.02465	5.5
115.04033	3.4
116.01762	4.2
121.02935	2.5
125.03583	3.6
127.05115	3.6
128.03558	83.9
129.00179	19.5
135.05667	8.3
137.07225	3.1
139.69734	2.3
141.06734	4.9
143.04637	100.0
145.06190	5.5
146.04607	6.7
147.01237	9.6
153.06761	8.0
166.09856	6.5
167.04562	5.6
167.08273	6.0
179.04616	23.6
179.05878	2.7
181.06256	3.6
184.11081	2.5
185.05682	2.6
188.19881	2.0
197.05626	4.4
210.08847	26.7
252.36008	2.2
254.07854	41.1
272.08911	77.0
304.06006	3.5
306.07678	5.3
349.68198	2.3
367.90005	2.2
402.09702	16.3
420.10922	64.4
421.11087	3.1
453.11893	2.6
462.12012	7.3
492.13089	12.0
504.13101	4.2
522.14026	35.0
523.13959	4.5
528.37659	3.1
564.15027	5.8
582.16138	68.2
583.16138	3.8
678.18134	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	678.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13629	0.1
61.98836	100.0
78.95941	0.2
85.19448	0.1
121.42521	0.1
124.41048	0.1
195.71194	0.1
276.34732	0.1
454.34363	0.5
455.34448	0.4
456.34946	0.4
596.29657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72790	0.2
61.98836	100.0
69.54539	1.0
84.87234	0.2
91.10271	0.2
163.47940	0.2
241.79663	0.2
280.17862	0.2
381.44568	0.2
454.33792	0.3
456.34418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20662	75.4
61.98831	100.0
62.41441	65.4
73.19751	71.3
74.96780	73.4
80.11446	70.4
157.42879	71.1
189.70892	71.0
238.76935	64.9
239.35738	72.5
421.57266	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.2
61.98601	0.9
61.98834	9.1
70.03591	1.0
71.01390	13.3
73.02930	4.1
80.05065	4.4
81.62659	1.0
83.01441	1.3
83.05026	1.0
85.02943	4.9
89.02460	5.5
98.21813	2.1
101.02453	4.5
106.06628	4.2
108.04568	1.3
109.02955	1.6
113.02477	5.3
119.03520	2.2
121.02951	1.5
129.44572	1.1
132.04556	2.7
133.02881	1.4
134.06140	22.2
135.04507	2.0
144.72562	1.0
146.06136	1.7
148.07707	1.1
152.07187	3.0
155.78192	1.1
158.02472	1.1
160.03966	3.0
161.02515	1.4
161.04475	1.1
162.05603	4.7
177.01961	2.6
178.05118	1.7
179.03488	2.9
180.06636	2.7
188.07150	2.7
190.05016	2.7
191.05678	1.9
199.08713	1.4
211.08806	3.8
223.08791	2.2
224.09579	1.3
225.10326	4.5
227.11826	2.7
235.08759	7.6
238.79364	1.1
239.11873	1.9
246.07834	1.9
249.10356	3.2
250.78134	1.1
251.08354	8.1
251.11975	2.2
252.08864	1.5
253.09808	3.8
261.10321	1.4
263.08163	3.3
264.08902	2.7
265.09909	3.0
267.11462	2.4
277.09842	7.1
278.07031	1.8
278.10471	1.0
279.07730	10.3
279.11386	5.3
289.09769	1.5
291.07724	2.9
292.08466	2.1
293.09317	10.3
295.10919	5.4
305.09235	6.2
307.10959	5.9
321.08807	6.7
333.08725	5.3
336.51053	1.1
337.11868	1.8
339.05457	1.5
339.09726	2.2
348.71567	1.2
353.11075	1.6
372.17377	1.4
400.16644	4.1
412.16476	1.3
426.14218	1.4
427.15460	1.3
440.15903	3.0
442.17548	2.6
468.15582	4.4
486.16513	5.7
500.18167	2.1
518.19269	2.3
580.23236	1.4
580.68420	1.3
620.22931	2.5
648.22046	36.0
649.21747	2.3
680.24579	100.0
681.25079	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	680.402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33798	0.3
59.01380	0.4
61.78041	0.3
61.98834	100.0
62.69809	0.5
67.90736	0.3
84.24989	0.4
146.42615	0.4
160.84218	0.4
162.09625	0.4
166.90842	0.4
171.65118	0.4
213.98749	0.4
342.88525	0.4
411.35425	0.4
411.42517	0.4
445.78235	0.4
525.30499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
88.72778	0.3
95.00409	0.3
98.84475	0.3
142.65640	0.3
206.09677	0.3
241.88457	0.3
289.65811	0.3
351.67221	0.3
396.12375	0.3
467.24777	0.3
545.24530	0.3
651.59186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.0
61.88414	3.2
61.98842	3.5
64.75208	2.8
69.41166	13.2
89.02478	3.0
98.22727	2.8
105.03449	4.1
109.02925	5.2
125.02479	4.8
126.83575	2.9
133.03000	15.4
135.04514	7.1
136.01636	15.9
137.02434	7.8
151.04022	21.4
161.02454	60.8
161.04527	3.2
177.01938	100.0
179.03519	12.6
179.05608	5.3
211.20859	3.2
339.07407	35.2
341.08716	31.1
357.13379	25.1
393.12228	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	681.168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
66.71141	0.5
70.50626	1.2
71.01384	1.1
73.02948	0.7
75.00887	5.1
85.02943	1.3
87.00883	13.5
93.03445	1.2
99.00891	4.0
101.02464	0.9
105.01952	19.0
105.03483	0.6
107.05102	0.8
108.21062	0.5
117.01999	0.6
124.18932	0.5
129.01874	0.7
133.02995	1.9
134.03824	2.9
135.04543	34.2
136.04860	0.9
147.02997	4.3
157.87196	0.5
158.90607	0.5
161.02428	0.7
165.04056	100.0
165.97423	0.5
166.04414	1.6
173.04611	0.6
177.01964	1.0
179.03519	22.7
180.03845	0.8
187.80043	0.5
191.05653	19.2
327.07233	21.6
328.07529	0.9
340.49069	0.5
353.08670	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	681.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.9
69.26546	1.1
69.46330	2.8
69.46735	1.8
71.01392	3.8
85.02977	1.2
89.02466	1.3
92.05082	3.4
96.96014	0.9
98.84673	0.9
101.02454	1.9
116.05057	9.3
118.02997	6.7
119.03532	1.0
130.06635	10.9
131.03741	1.4
131.34264	0.9
132.04536	1.6
134.06117	4.2
142.06607	2.9
144.04562	100.0
145.04930	1.2
146.02484	37.6
146.06085	2.5
147.02786	1.0
148.07692	2.6
149.00935	1.5
154.24866	1.0
155.11855	0.9
157.05466	0.9
158.06125	27.7
160.04086	4.6
161.04584	2.1
162.05582	6.4
174.05627	3.6
176.07169	17.0
186.05623	9.6
188.03542	3.4
195.95152	1.0
204.06645	23.8
210.88432	0.8
230.04521	5.0
247.13535	0.9
306.09970	1.2
308.07758	9.4
324.10977	1.3
350.08832	12.9
368.09872	82.8
369.10168	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98838	3.1
69.13857	3.2
71.01376	3.0
73.02953	1.2
77.04005	0.7
85.02966	1.7
87.00883	0.5
89.02438	0.7
89.04012	0.6
98.22623	1.2
101.02441	1.6
107.05051	0.9
108.02149	1.1
109.02956	1.7
113.02477	0.9
117.03473	1.9
121.02962	1.2
122.03748	1.0
123.04515	0.8
132.02170	2.4
133.02965	40.4
134.03822	3.3
134.06177	0.5
135.04530	28.9
136.01669	16.3
137.02425	1.7
144.17255	0.5
147.04547	1.0
149.06090	1.8
151.04019	13.6
152.04347	0.7
155.14108	0.5
159.04512	0.8
160.01672	1.0
160.05348	0.8
161.02452	100.0
162.02882	2.4
163.03952	0.9
168.92390	0.6
173.06075	0.5
175.03979	3.6
176.04764	1.5
177.01961	0.8
177.05588	4.2
178.02818	1.0
178.24388	0.5
179.03508	18.2
180.03775	0.6
181.04739	0.6
186.32040	0.5
191.07132	1.3
193.05055	2.2
203.03452	1.0
205.58705	0.5
220.03824	0.7
221.04555	3.0
249.70769	0.5
251.05499	0.6
263.05539	0.5
269.04575	1.0
271.94052	0.5
279.06638	1.0
280.05820	0.5
289.07254	0.8
311.61182	0.5
312.09998	1.0
313.10800	1.6
323.07724	26.5
327.12399	2.2
343.11826	3.9
357.13425	2.2
513.03156	0.6
645.38837	1.2
681.21863	69.6
681.35901	3.0
682.22247	6.7
688.43555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
64.73100	0.6
69.21242	2.7
71.01392	3.8
73.02927	0.6
82.95425	0.8
83.01367	0.8
85.02955	2.1
89.02456	1.1
93.03459	0.9
96.96028	1.0
101.02461	1.8
106.99160	0.5
108.02169	0.9
113.02463	1.3
121.02998	3.3
122.03765	1.7
123.81969	0.5
133.02956	0.8
134.03745	0.7
135.04549	1.2
136.01672	49.9
137.02408	1.7
151.04021	84.5
152.04405	1.4
153.05595	0.7
160.05267	1.3
161.04549	3.3
163.04048	0.7
175.03978	1.1
175.07629	1.3
177.05597	0.6
179.03511	1.4
191.05615	1.9
300.54797	0.5
318.37396	0.8
342.11029	4.8
357.13467	100.0
358.13867	5.0
519.18402	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	681.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34866	0.3
52.05185	0.3
59.01366	0.4
60.86391	0.3
69.07281	2.5
69.07655	0.7
71.01380	2.0
73.02965	0.5
73.35730	0.4
75.14408	0.3
85.02967	1.5
93.03471	0.8
99.00826	0.4
101.02458	1.2
108.02190	0.7
113.02454	0.8
121.02976	2.9
122.03756	2.1
123.04535	0.4
134.03746	0.4
136.01671	44.2
137.02431	1.2
138.40424	0.4
151.04016	76.7
152.04382	1.6
156.10567	0.3
159.04585	0.4
160.05286	0.9
161.04591	3.5
162.03259	0.8
163.04103	0.6
165.27568	0.4
175.07634	1.4
177.05598	0.6
194.69946	0.4
203.06917	0.4
213.58720	0.4
311.12759	0.6
317.69144	0.4
342.11093	4.0
357.13449	100.0
358.13797	4.9
519.18549	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	681.2404
Annotation	(-)-Pinoresinol 4,4'-di-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01878	1.6
57.03432	2.2
57.52834	1.0
59.01384	33.7
61.98816	1.0
70.51258	1.2
71.01389	34.7
73.02958	6.4
83.01392	4.9
84.95142	1.7
85.02963	9.3
87.00881	4.3
88.98811	3.7
89.02448	16.7
95.01395	2.9
97.02954	2.5
98.21809	2.2
99.00881	1.3
101.02451	23.2
104.85249	1.0
105.03463	1.2
108.02182	1.6
109.02944	2.0
113.02469	15.2
118.74116	1.0
119.03511	4.4
121.02956	3.6
122.03739	3.4
131.03517	3.8
133.02968	3.1
134.03792	1.4
135.04564	2.0
136.01674	81.7
137.02293	2.0
137.88814	1.3
143.03485	4.8
147.04596	1.1
149.06067	1.2
151.04019	100.0
152.04317	2.4
159.03038	1.5
159.04510	2.3
160.05313	2.3
161.04572	9.4
162.03270	2.3
175.03976	1.6
175.07648	2.1
176.04808	2.0
177.01877	1.2
177.05545	1.2
178.02737	1.2
179.03522	2.0
179.05618	4.7
191.07150	2.2
193.04971	1.6
203.07236	1.1
221.06696	7.2
259.23511	1.1
285.04059	2.7
323.10016	5.2
327.12436	6.0
339.12515	1.4
342.11053	5.1
343.11942	1.7
357.13467	94.7
358.13718	2.9
369.09784	1.7
519.18805	2.3
640.61505	1.3
663.22217	1.4
681.23999	36.9
681.35510	2.0
682.24146	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93896	0.4
54.45079	0.4
55.01888	1.2
57.03456	1.3
58.00599	1.3
59.01385	100.0
60.00399	0.5
61.98835	11.0
63.51812	0.4
70.04571	0.8
70.04957	0.9
71.01389	53.2
72.01752	0.5
72.99323	1.7
73.02958	2.3
73.89171	0.4
82.03045	0.4
83.01400	2.0
85.02959	9.3
87.00880	3.1
88.98827	0.7
89.02454	64.4
95.01402	4.2
96.96009	0.5
99.00886	0.6
101.02454	28.3
107.03500	0.6
107.80209	0.4
109.02938	0.8
113.02465	23.6
119.03513	27.7
125.02473	0.8
127.14154	0.4
131.03542	3.5
133.02895	0.5
135.04521	1.8
136.01686	0.6
143.03506	5.8
149.04567	2.7
151.03999	0.9
152.01129	0.7
155.10742	0.5
160.03925	0.4
161.02451	0.9
161.04579	5.5
174.64290	0.4
177.01927	0.6
178.05060	0.6
179.03493	1.1
179.05624	10.3
191.05600	0.8
267.06491	0.5
269.08200	0.6
283.02539	0.7
285.03946	1.1
304.08435	0.5
314.11539	0.8
329.13992	2.8
341.13754	1.6
370.09927	0.6
387.16074	0.6
501.17310	1.9
519.18829	0.9
519.31696	3.8
619.16351	0.8
681.22949	1.3
681.36316	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	681.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.30133	0.8
61.98830	4.0
66.65980	0.8
71.01392	3.3
71.35468	0.8
71.41801	1.3
73.02926	0.9
85.02942	1.6
87.00894	1.2
94.59335	0.8
101.02471	3.0
107.05640	0.9
113.02486	1.3
117.05586	1.0
117.13194	0.8
119.03458	1.0
121.02958	2.0
133.02901	0.9
135.04555	1.9
147.04561	1.8
151.03984	2.2
153.05513	0.9
166.99651	0.9
177.01996	3.7
188.03886	0.9
191.05663	2.9
269.08218	14.8
281.08240	3.0
283.09805	5.0
299.09274	7.8
311.09274	13.8
312.09753	1.1
314.11649	23.2
326.11667	12.7
329.13959	78.6
330.14355	2.5
341.13965	43.4
342.14175	3.2
357.13559	1.5
359.15039	1.6
681.25574	1.9
681.36633	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	681.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.6
58.00594	1.7
59.01385	67.2
64.70841	1.1
69.03432	1.1
69.59288	1.1
70.02692	1.0
70.03037	2.7
71.01387	41.7
72.99316	1.5
73.02954	16.0
83.01399	1.1
85.02963	8.3
89.02458	59.1
95.01382	1.4
96.78999	1.1
97.02949	1.3
99.00896	26.5
101.02454	23.6
113.02476	7.9
115.03994	1.1
115.24948	1.2
118.68369	1.0
119.03511	4.7
120.41535	1.1
121.02976	2.3
125.02444	3.2
126.90434	2.1
131.03531	7.7
135.04541	6.9
136.01671	11.9
145.27898	1.1
149.04573	20.1
151.04002	17.3
161.04568	2.6
179.05615	2.0
191.05704	7.3
277.46289	1.3
321.52606	1.3
342.11169	1.4
357.13428	22.8
409.61908	1.4
519.24567	2.1
549.26013	1.8
568.87366	1.3
623.67053	1.4
681.29822	100.0
682.30402	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	681.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.6
58.00594	1.7
59.01385	67.2
64.70841	1.1
69.03432	1.1
69.59288	1.1
70.02692	1.0
70.03037	2.7
71.01387	41.7
72.99316	1.5
73.02954	16.0
83.01399	1.1
85.02963	8.3
89.02458	59.1
95.01382	1.4
96.78999	1.1
97.02949	1.3
99.00896	26.5
101.02454	23.6
113.02476	7.9
115.03994	1.1
115.24948	1.2
118.68369	1.0
119.03511	4.7
120.41535	1.1
121.02976	2.3
125.02444	3.2
126.90434	2.1
131.03531	7.7
135.04541	6.9
136.01671	11.9
145.27898	1.1
149.04573	20.1
151.04002	17.3
161.04568	2.6
179.05615	2.0
191.05704	7.3
277.46289	1.3
321.52606	1.3
342.11169	1.4
357.13428	22.8
409.61908	1.4
519.24567	2.1
549.26013	1.8
568.87366	1.3
623.67053	1.4
681.29822	100.0
682.30402	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	681.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18945	0.5
55.01880	2.7
57.03446	2.6
58.00617	0.7
59.01385	26.0
61.98837	4.6
69.03458	1.0
69.71529	1.9
71.01388	26.9
72.99315	1.2
73.02953	12.5
79.79843	0.5
83.01391	8.2
85.02464	0.9
85.02963	16.1
85.06595	0.6
86.00105	0.9
87.00876	1.9
89.02452	4.4
91.52214	0.5
91.70442	0.6
93.65985	0.6
95.01409	3.3
97.02943	1.1
99.00911	3.4
101.02453	20.8
102.11575	0.6
106.31472	0.5
111.00898	3.7
112.98865	0.7
113.02451	9.2
119.03564	1.3
125.02438	0.8
129.02011	1.3
135.04532	0.7
143.03529	0.8
159.02985	1.2
161.04529	2.1
161.05833	0.5
163.56081	0.6
165.05699	0.5
179.03412	0.9
191.05675	1.3
201.14940	0.6
211.17142	0.7
227.38708	0.6
313.27548	1.0
357.13165	0.7
357.26550	2.6
475.32709	5.2
501.30664	1.8
503.32523	5.2
519.32080	3.3
567.23340	0.6
622.33136	0.6
637.38147	19.2
638.37604	0.7
681.37054	100.0
682.37506	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	681.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.2
66.45530	1.9
68.87673	1.7
69.25859	8.7
71.05015	2.0
74.62776	1.6
99.08152	2.8
101.16045	1.4
104.96143	1.5
107.44483	1.6
112.94734	1.7
123.21338	1.5
153.12936	3.0
153.18825	1.5
165.12848	10.3
171.10262	4.9
183.13914	2.9
187.10976	1.8
193.08493	7.3
193.12169	2.8
205.12108	5.5
211.13391	17.1
215.10457	1.7
216.91489	1.7
219.10121	2.2
221.11584	5.4
229.14482	8.9
231.09966	9.6
233.11606	75.2
234.11911	3.6
249.11247	9.2
251.12544	19.9
277.16940	1.5
329.23367	72.6
330.23669	5.7
351.21555	100.0
352.21915	8.0
389.11804	1.5
404.69669	1.7
446.05862	1.7
681.44739	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	682.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98834	100.0
69.36097	1.2
71.01389	1.4
85.02966	0.4
89.02438	1.4
98.21915	0.4
101.02469	0.8
113.02488	0.4
114.16599	0.2
119.03519	0.7
121.02973	0.3
169.06688	0.4
224.56094	0.2
251.16019	0.2
255.02991	3.4
283.02493	8.6
284.03159	0.5
285.04053	10.3
303.21689	0.3
388.94446	0.2
430.08853	1.9
431.09747	4.0
473.10971	0.5
619.16748	13.6
620.17487	0.8
680.16272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13675	0.3
61.98834	100.0
69.87697	0.3
76.57520	0.3
122.99179	0.3
205.75748	0.3
217.74548	0.4
387.53549	0.3
657.96210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
78.95921	2.9
104.73158	2.4
111.81896	2.3
149.14548	2.3
152.99556	2.5
163.99605	2.5
171.10287	100.0
172.10522	3.4
196.27783	2.6
249.18596	43.8
253.09319	5.6
396.75012	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	683.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
57.46358	0.8
59.01383	7.9
60.99304	1.9
61.98822	1.1
63.02392	0.8
66.27026	0.7
69.86974	0.7
71.01387	6.6
73.02958	1.9
73.63734	0.8
81.03477	0.7
83.01396	0.9
85.02953	2.9
87.00887	1.1
87.29410	0.6
88.98822	7.0
89.02443	3.8
93.03520	0.8
99.00868	1.2
101.02460	5.1
113.02472	3.2
119.03539	1.9
121.02971	1.5
125.02431	1.4
133.02962	4.3
135.04559	1.0
136.01675	5.3
137.01982	0.8
143.03525	1.2
147.04555	1.0
149.02432	1.5
150.59947	0.8
151.00407	2.0
151.04015	7.3
152.04405	1.6
160.05368	0.8
161.04590	2.2
165.05560	1.1
175.03990	1.4
179.03380	0.9
179.05557	1.6
185.06020	0.9
191.05624	1.4
193.05116	1.0
197.90155	0.7
199.04068	1.7
213.05585	0.9
217.04984	0.8
218.71896	0.7
221.06679	1.9
229.04965	0.8
245.06560	0.8
248.10844	0.8
249.78795	0.8
261.33987	0.7
284.03308	13.9
285.04080	100.0
286.04428	3.8
323.09738	1.3
329.13898	1.1
357.13358	3.5
357.95450	0.7
358.13724	3.7
359.13995	2.3
503.19406	1.7
521.20276	1.1
593.15192	67.4
594.15863	3.6
683.25000	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	683.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.2
60.99313	20.4
63.50472	1.4
69.69378	4.6
71.01398	3.2
73.02963	1.3
77.05583	1.2
85.02998	2.0
88.98814	100.0
89.02454	2.0
109.02992	1.3
115.00378	1.5
134.03726	1.3
134.40396	1.2
135.04588	1.6
161.02438	3.1
177.02013	1.8
178.02827	1.5
179.03496	1.6
191.05595	1.6
227.03572	8.3
229.05096	3.8
255.03001	12.4
257.04385	2.1
273.75656	1.4
284.03278	26.8
285.04086	32.0
286.04364	1.9
325.66940	1.3
326.66785	1.3
503.19464	3.0
521.20374	4.4
550.29059	1.7
551.17004	1.5
551.30005	2.3
573.94177	1.3
593.15192	64.3
594.15686	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	683.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01383	13.7
60.62137	0.3
60.99295	0.5
67.01895	2.0
69.03426	0.6
71.01381	8.4
72.99298	0.4
73.02953	0.8
81.03460	0.6
83.01399	0.4
85.02956	6.1
87.00884	3.4
89.02450	10.7
93.02871	0.7
93.03463	12.5
94.03800	0.5
95.01391	1.2
96.96030	0.5
99.04506	0.6
101.02451	3.6
103.08936	0.3
105.03442	1.1
105.60507	0.3
109.02939	0.8
111.00897	0.5
111.04518	1.8
113.02444	3.2
114.59517	0.4
119.03517	4.7
125.02485	0.6
127.04023	1.2
133.02969	4.8
134.03770	1.2
135.04541	17.3
136.04842	0.4
137.02457	0.5
139.00375	2.1
140.01175	1.6
143.03519	0.6
153.01927	1.3
154.02737	0.9
155.03506	3.5
159.04495	0.5
161.02455	5.7
161.04578	1.3
173.04565	3.2
177.01910	0.9
179.03508	11.6
179.05602	4.1
191.05618	100.0
192.05992	2.5
215.05496	0.6
283.09824	1.3
308.09174	0.6
311.09256	4.6
317.08768	4.1
326.11621	4.3
329.13925	0.5
341.09698	0.6
341.13953	5.2
351.07156	0.6
353.08789	34.7
354.09259	1.8
359.14874	1.1
367.10373	1.4
395.09799	6.9
425.10889	1.1
455.11755	2.2
472.55273	0.4
491.19373	0.6
503.19150	1.3
515.13818	0.9
521.13068	0.7
521.20514	0.8
683.18292	5.3
683.26953	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	683.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03446	1.6
57.66749	0.5
59.01386	40.6
69.03461	7.2
69.31721	3.0
71.01389	18.7
73.02949	1.3
83.01401	2.0
83.05034	0.9
85.02969	5.3
87.00891	3.8
87.04530	1.5
89.02458	20.2
95.01398	1.3
97.89820	0.6
98.22657	1.2
101.02451	12.9
111.04492	1.3
111.58691	0.6
113.02473	18.1
119.03517	7.8
131.03552	7.6
133.05084	2.3
152.90427	0.7
179.05704	1.0
275.07751	1.7
282.73969	0.6
293.08820	100.0
294.09119	4.0
317.08850	1.7
428.41928	0.6
556.85931	0.6
569.17255	8.8
683.20245	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	683.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52806	1.9
59.01381	45.7
65.21176	1.8
67.01918	2.2
69.03456	16.5
69.57737	4.3
69.58121	3.6
71.01388	31.7
73.02936	3.2
83.01371	3.9
83.05019	4.6
83.10723	2.2
85.02953	7.8
87.00880	8.7
87.97858	2.0
88.21369	2.4
89.02448	25.4
96.95982	5.3
97.02883	2.4
98.66364	1.9
99.00906	2.6
99.04533	2.4
101.02462	22.1
111.04546	6.1
112.01680	2.5
113.02458	47.8
119.03517	11.1
121.02912	2.7
131.03488	18.1
133.02974	2.4
133.05106	3.1
134.03717	1.9
135.04539	4.8
137.02425	2.6
146.93320	2.1
147.04486	2.1
151.04030	2.7
155.03482	3.6
159.04478	1.9
160.05325	13.0
161.05942	2.5
163.04047	2.5
175.07620	12.3
178.06369	6.2
179.03452	4.1
191.05685	5.3
275.07745	8.1
293.08823	59.8
317.08954	4.7
329.13934	61.4
329.17819	3.4
359.14868	11.7
389.10913	3.8
391.26617	2.3
569.17267	100.0
570.17865	5.0
683.20264	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11780	0.9
59.01387	16.9
61.98832	6.1
67.29495	0.9
71.01390	6.3
73.02938	1.5
81.03461	1.6
83.01371	1.6
85.02956	2.7
87.16210	1.0
89.02473	3.2
89.03963	2.6
90.41246	1.1
93.03480	1.8
95.01356	2.0
99.08146	3.0
101.02467	4.2
105.01984	1.1
105.03458	2.3
108.02185	43.9
109.02968	35.3
113.02462	3.5
121.02965	3.3
123.04517	3.6
125.02488	2.0
127.07729	1.4
133.02983	11.1
135.00922	2.6
135.04544	14.7
145.08733	16.5
149.02451	5.0
150.03241	1.8
151.04034	3.5
152.01167	47.7
153.01959	16.1
153.09299	1.1
161.02466	6.0
161.09691	1.6
165.01930	1.2
165.05565	2.3
166.02797	1.4
167.03494	4.1
177.01944	100.0
178.02339	3.1
179.03520	14.4
179.10794	1.9
187.09807	6.9
189.01942	4.4
191.03458	1.3
193.05142	1.5
195.02980	2.8
203.03568	2.2
217.01355	2.9
219.02919	1.5
225.11005	1.1
259.06085	3.4
268.10413	1.3
289.07239	1.5
315.07126	1.9
341.06583	6.6
358.10587	2.9
402.21423	1.1
442.26620	1.2
451.10135	6.1
459.16272	1.3
477.17673	14.8
503.15778	7.4
521.16699	67.7
522.16913	3.2
550.88562	1.3
563.17761	4.8
683.21783	22.1
683.34491	1.3
683.39148	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	683.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36860	1.2
57.78738	1.1
57.79051	1.2
59.01379	19.4
61.98836	7.7
64.32898	1.1
69.17672	7.1
70.05022	1.2
71.01387	9.4
73.02941	2.3
83.55235	1.3
85.02940	4.3
88.98830	1.6
89.02467	3.7
89.03965	1.9
93.03455	2.4
96.96029	1.7
99.08123	2.8
101.02448	4.6
105.03464	4.7
108.02183	49.0
109.02965	36.2
111.00925	1.1
113.02408	3.2
121.02946	4.6
123.04534	3.3
125.02445	4.0
127.07629	2.0
133.02971	12.1
134.03784	2.1
135.00937	1.6
135.04529	18.9
135.09528	1.2
135.11839	1.7
136.37312	1.1
137.02441	1.8
145.08705	22.1
146.09091	1.3
149.02419	4.9
150.03246	1.8
151.03972	3.7
152.01169	55.9
153.01949	14.9
161.02409	7.1
161.04582	1.2
161.09741	1.5
163.03972	2.3
165.01932	2.5
165.05687	1.5
167.03481	4.1
177.01938	100.0
178.02448	2.6
179.03508	15.6
179.05040	1.8
179.05530	1.3
179.10704	2.2
187.09775	8.6
189.01904	5.1
191.03493	1.8
193.05043	1.6
195.03029	2.2
217.01346	3.4
219.02969	1.5
259.06107	2.0
266.97479	1.4
315.07007	2.1
341.06570	8.4
358.10532	2.8
451.10141	7.2
459.16919	1.4
469.06058	1.4
477.17685	16.2
503.15723	8.0
521.16669	74.7
522.17004	3.4
534.76086	1.3
539.10345	1.4
563.17804	4.5
587.76105	1.3
683.21857	25.2
683.39050	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	683.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68181	1.5
59.01368	4.8
61.98820	5.5
69.12590	8.6
71.01386	3.5
73.02951	1.5
85.02949	1.5
86.33247	1.5
89.02418	1.7
93.03439	1.3
96.96025	2.1
98.21913	3.8
101.59737	1.4
102.75043	1.3
113.02485	2.4
116.92846	2.0
117.03464	1.4
121.02970	1.7
132.02187	2.9
133.02965	46.3
134.03732	4.9
135.04538	34.6
145.02931	2.3
149.06085	1.7
156.17517	1.6
160.01755	1.3
161.02452	100.0
162.02916	3.0
175.04007	2.7
177.01936	1.9
177.05579	3.8
178.02690	1.4
179.03514	19.8
191.05684	2.0
193.05022	1.3
221.04514	4.0
266.05920	1.8
269.08136	5.5
283.09689	1.6
285.04095	2.0
299.09235	5.8
311.09256	5.9
312.64624	1.3
314.11545	7.4
323.07715	36.3
324.08197	1.8
326.11606	3.7
329.13934	5.9
683.23486	68.0
684.24036	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	683.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72619	1.5
55.09950	1.7
57.03460	3.2
59.01385	100.0
60.68517	1.7
61.43130	1.8
61.98822	1.9
63.49076	1.7
63.90204	1.5
69.23397	7.4
69.23807	2.1
71.01390	73.0
72.99310	2.2
73.02953	17.2
83.01398	3.9
85.02965	16.1
87.00916	10.3
88.38467	1.6
89.02458	74.6
90.59003	1.7
93.03465	1.8
95.01408	6.1
97.02975	2.5
98.22612	3.4
99.00882	2.6
99.08318	1.9
101.02463	55.3
108.02193	1.7
113.02470	29.6
113.52352	1.7
115.03952	2.1
119.03522	27.1
122.03818	1.9
122.63845	1.6
123.00935	2.7
123.04523	1.9
124.01662	3.0
125.02450	6.7
130.08762	1.8
131.03525	11.7
133.02843	2.2
135.04539	4.5
137.02478	4.2
139.03998	2.5
143.03510	9.6
147.04605	2.1
149.02426	2.2
149.04532	3.6
150.03229	1.8
159.04645	1.7
160.05272	3.0
161.02451	1.6
161.04584	21.6
165.05527	4.6
173.06100	2.3
179.03419	3.4
179.05626	78.7
180.05959	2.0
189.05606	2.0
190.06444	1.8
191.05635	3.5
191.38136	1.7
195.06660	2.5
221.06694	19.9
253.08687	1.9
281.06454	1.8
285.04083	2.8
293.08719	8.4
296.10446	2.5
367.33951	1.6
421.11374	8.0
469.18530	1.7
521.20654	6.4
668.63898	1.7
683.25555	43.7
684.25793	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	683.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
59.80394	0.3
69.62506	1.1
71.01392	2.6
73.02946	0.8
85.02957	1.1
87.00880	0.4
89.02464	0.6
93.03477	0.7
96.96030	0.3
98.21904	0.4
101.02473	1.6
108.80138	0.3
113.02462	0.9
119.76602	0.3
121.02972	2.4
122.03758	1.7
123.04516	0.6
124.01604	0.3
131.03539	0.3
135.04529	0.9
136.01648	1.1
136.05301	1.3
137.06100	0.5
143.05017	0.6
147.04533	1.5
149.02449	0.7
150.03232	2.0
151.03998	1.2
152.04414	0.4
153.05508	0.3
158.03775	1.7
159.04543	5.5
160.05318	20.3
161.04587	2.1
161.06085	5.5
163.03992	1.9
164.04805	2.3
165.05475	0.3
173.06076	3.0
174.06885	1.4
175.07661	18.4
176.04871	0.4
177.05566	3.5
178.06369	11.1
179.03516	0.5
191.05629	1.1
191.07149	0.5
192.07941	6.1
193.08694	2.4
226.43312	0.3
256.71411	0.3
277.40421	0.3
279.11465	0.3
293.08728	0.3
314.11612	1.0
329.13977	100.0
330.14285	4.7
341.47525	0.3
357.13486	0.6
358.13724	1.0
359.15027	21.8
360.15442	0.9
390.97342	0.3
398.69397	0.4
491.19290	2.2
503.19116	1.0
521.20441	3.4
584.88989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25682	0.5
55.01881	0.9
57.03438	0.8
58.00578	0.7
59.01383	37.8
60.01720	0.7
66.00694	0.5
69.10883	2.9
71.01385	20.4
71.48306	0.6
73.02954	2.0
83.01402	2.0
85.02953	5.0
87.00884	2.2
89.02450	19.7
95.01394	2.0
99.00880	1.1
101.02448	10.9
112.98862	0.6
113.02448	6.6
119.03499	7.0
125.02399	0.5
131.03513	0.8
133.02966	1.0
135.04555	1.2
137.02490	0.7
143.03497	1.1
145.02945	1.3
161.02536	1.2
161.04573	1.9
177.01913	0.7
179.03465	0.9
179.05655	2.6
180.80116	0.6
191.05661	1.6
193.04942	0.6
212.18686	0.6
239.07149	0.7
267.06546	1.4
268.07346	0.6
269.17181	0.5
280.07309	1.7
281.08627	0.5
282.08954	3.9
283.09729	0.7
285.04095	1.2
292.93451	0.5
293.08194	2.0
294.08835	0.8
295.09778	3.4
311.09348	2.8
312.09903	1.4
313.10843	0.6
314.08115	0.7
323.09705	1.2
325.10889	0.8
326.11646	10.0
327.12308	5.7
341.13934	6.9
355.11734	4.5
368.12433	0.7
369.13458	0.7
445.15219	1.3
473.14508	3.5
488.16901	5.7
489.17465	0.9
503.19269	100.0
504.19608	9.0
515.20490	0.7
683.22034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03434	1.6
59.01385	39.2
66.15842	0.7
66.29879	0.7
69.46847	0.6
70.77827	0.8
71.01389	24.6
73.02940	2.3
74.29361	0.6
74.29837	0.7
83.01412	1.7
85.02953	5.9
87.00886	2.6
89.02451	18.7
93.03486	1.5
95.01390	2.2
99.00897	1.1
101.02455	10.4
105.01965	1.1
108.02234	0.7
113.02457	8.0
119.03526	5.5
125.02534	0.7
131.03540	1.0
133.02936	1.0
135.04539	2.2
143.03520	0.7
145.02959	0.9
149.04601	1.0
161.02524	1.1
161.04564	1.9
161.58199	0.6
163.78961	0.7
179.03497	2.1
179.05627	2.2
191.05630	16.7
267.06717	1.2
268.07294	0.9
280.07440	1.0
282.09021	5.1
283.09735	1.9
285.04062	2.0
293.08273	1.8
294.09091	1.1
295.09772	3.0
300.07001	0.7
311.09238	2.7
312.09808	1.4
323.09805	2.1
325.10910	1.4
326.11636	10.6
327.12332	8.1
340.09592	0.8
341.13913	8.3
353.08698	4.4
355.11829	4.1
369.13324	1.2
395.09991	1.3
406.18906	0.7
407.30453	0.7
473.14444	3.7
488.16806	6.2
503.19281	100.0
504.12787	1.2
504.19516	9.3
558.57849	0.8
683.17950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73334	0.5
55.01880	1.4
57.03442	1.4
59.01384	16.5
60.79267	0.5
69.18960	3.1
70.84792	0.5
71.01386	11.9
73.02934	2.8
73.73553	0.4
80.52913	0.5
83.01373	2.5
84.83294	0.5
85.02955	4.9
86.00103	1.1
87.00874	2.6
89.02453	3.8
93.03450	0.5
95.01382	1.1
99.00871	1.3
101.02448	8.3
109.02945	0.8
111.00858	1.1
113.02462	3.7
115.07594	0.5
119.03520	1.5
121.02953	4.0
134.03741	0.5
135.04520	2.4
135.20827	0.5
135.52846	0.5
145.02943	0.8
147.04546	0.6
159.03032	0.6
159.04535	1.8
163.39091	0.5
179.03511	1.3
179.05667	0.5
191.05598	1.0
193.05075	0.9
240.04350	0.8
255.06671	1.4
265.08746	1.1
267.06583	1.7
268.07407	2.2
269.08066	3.4
270.09018	1.8
280.07431	0.8
281.08231	5.8
282.08987	5.4
283.09760	4.0
293.08270	2.1
295.09784	2.1
296.10538	1.9
297.11221	0.9
299.09268	2.5
300.09851	0.9
311.09210	2.3
311.12592	0.8
312.10019	1.1
313.10580	0.6
314.08185	0.5
314.11526	5.9
315.12244	2.7
325.10751	0.8
326.11578	8.3
327.12332	5.9
329.13943	11.8
330.14276	0.7
340.09509	0.8
341.10037	0.9
341.13898	7.1
343.11841	2.2
355.11890	4.0
357.13498	0.6
369.13513	1.2
429.34506	0.5
445.14883	1.2
461.14349	1.7
473.14664	2.4
473.39609	0.5
476.16888	11.8
488.16968	5.4
491.19278	100.0
492.19711	6.4
503.19284	80.1
504.19559	6.2
521.20544	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	683.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
56.13562	0.6
57.03429	1.6
59.01384	35.2
61.98835	13.7
69.03444	0.8
71.01385	21.2
73.02951	10.9
83.01383	3.8
84.28886	0.9
85.02960	10.0
87.00887	5.2
89.02454	11.4
95.01385	1.4
97.02905	2.6
99.00876	1.6
101.01814	1.3
101.02451	23.6
103.03988	1.4
106.15990	0.6
108.02166	1.3
109.02941	1.5
113.02446	8.9
115.03960	1.2
119.03494	3.9
120.03845	0.7
121.02966	0.9
123.08047	0.9
125.02441	1.8
131.03471	2.7
133.02922	2.0
135.04535	1.3
143.03444	2.1
152.01125	1.8
153.01872	0.8
156.55228	0.7
161.02408	1.3
161.04582	4.5
163.06075	0.7
177.01959	9.7
179.03432	1.8
179.05621	1.2
182.75050	0.7
183.13950	1.1
194.30753	0.6
195.13887	5.4
203.05553	2.6
213.14940	3.1
221.06595	4.5
284.02927	0.8
346.94724	0.8
357.19427	0.8
375.20261	6.2
422.66217	0.7
519.24152	2.3
521.16486	2.4
521.31989	1.0
537.25409	5.1
620.17017	1.2
644.73889	0.7
683.31134	100.0
684.31812	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	683.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
57.03444	3.1
59.01384	55.9
60.01715	1.3
61.98821	2.7
69.03468	0.8
71.01390	35.8
72.99319	1.4
73.02954	7.8
83.01382	5.0
85.02965	14.9
87.00880	3.4
88.98804	1.3
89.01938	1.4
89.02454	19.3
93.03481	1.2
95.01377	2.8
97.99684	0.8
99.00880	2.6
101.02451	23.7
111.00879	2.5
113.02460	13.2
118.01181	0.8
119.03526	6.8
121.02997	1.1
121.68527	0.9
129.01920	1.2
131.03625	0.8
134.03780	1.0
134.06091	1.1
135.04518	2.3
141.01904	0.8
143.03516	1.2
145.06186	1.5
150.03183	0.9
150.05614	0.8
159.03059	1.4
161.02466	1.9
161.04567	3.1
161.05884	0.8
179.03531	3.1
179.05602	2.0
191.05637	2.5
225.11290	1.4
229.18069	3.0
267.81055	0.9
281.09351	2.8
285.04062	1.8
293.09357	1.5
359.28162	2.1
373.18771	0.9
389.25696	0.8
391.23416	2.2
402.00870	0.9
491.19568	1.6
503.19397	1.0
503.32141	3.4
507.28342	0.9
521.21021	0.9
521.33380	13.4
522.33667	1.5
608.22583	5.6
652.21619	1.3
653.24664	1.4
665.24530	1.1
683.38617	100.0
684.23975	3.3
684.38959	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	683.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.8
59.01382	7.2
61.98825	6.1
71.01382	4.2
73.02992	1.8
85.37714	1.5
87.00874	2.7
89.02444	3.1
95.05036	3.4
97.06587	21.2
101.02457	4.0
107.68078	1.3
113.02452	2.6
123.08179	9.4
125.09734	97.0
126.10058	2.1
161.04475	2.7
169.08659	1.7
178.18408	1.5
182.84819	1.3
187.09778	42.5
193.61607	1.3
235.08374	3.7
253.09174	2.8
277.21741	50.5
278.22058	2.1
405.17627	4.8
423.18539	4.6
683.28894	3.5
683.40125	100.0
684.40302	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	683.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.8
59.01393	8.9
61.98831	5.5
62.89438	2.8
66.55797	3.1
69.23936	6.4
69.24329	8.8
70.16059	3.0
76.44759	3.1
78.95889	5.0
81.63018	2.4
89.02451	3.8
91.39460	2.6
94.92538	3.3
97.06546	14.4
101.02461	4.2
113.02467	3.3
123.08141	6.8
123.94675	2.6
125.09736	100.0
129.31258	2.7
131.42479	3.7
170.62106	3.3
187.09761	65.5
187.11346	4.0
236.09346	3.4
277.21716	16.0
405.17703	5.0
406.14651	3.1
423.18698	16.8
586.83984	3.1
679.06573	3.7
683.40167	87.6
684.41071	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	684.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	1.0
63.63366	0.9
70.51912	1.6
102.52921	0.9
106.97436	0.9
109.51032	1.0
147.14500	0.9
201.81023	1.0
309.05026	1.0
438.13336	5.4
452.15015	1.7
466.13150	1.3
480.14200	2.0
481.15170	38.2
482.15479	4.5
495.16608	8.1
540.16669	14.8
541.16882	1.7
554.18280	2.8
555.18896	77.7
556.19250	8.1
572.15472	12.2
586.16962	3.5
609.20111	1.2
641.22583	34.7
642.22974	3.1
684.23145	100.0
685.23505	13.7
700.26324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15161	1.9
59.01384	50.0
61.98833	10.0
71.01073	2.4
71.01393	26.6
71.41312	2.2
73.02943	3.2
83.01376	2.7
85.02950	8.6
87.00908	3.2
87.98014	2.0
88.98814	2.4
89.02465	22.4
89.30458	2.0
95.79620	2.0
99.00853	2.3
101.02447	15.0
103.34815	2.0
106.06619	5.1
109.02939	2.2
110.02527	2.3
113.02454	7.6
116.05054	3.0
119.03504	8.7
121.02978	4.5
122.06154	4.1
123.03253	3.5
125.02424	2.2
131.03581	2.6
132.04559	4.2
133.02986	2.7
134.06146	42.4
135.04520	5.8
136.03996	2.8
138.05634	9.7
150.05591	2.1
152.07167	5.6
155.10732	3.3
160.04060	14.2
161.02434	3.1
164.03554	12.7
164.07224	3.1
165.05562	2.4
166.05200	2.9
177.01933	4.0
178.05019	3.7
179.03511	5.0
190.05185	3.0
191.05626	6.5
192.06686	39.5
204.06598	3.9
242.86252	2.0
252.06706	2.2
253.09860	4.6
253.66069	2.1
265.06277	4.0
266.06943	7.5
279.07486	2.4
281.09357	39.4
285.03998	2.7
293.09399	25.6
307.10889	3.1
313.12006	4.7
314.12146	2.8
339.13525	13.9
428.16287	3.5
447.08905	2.4
487.17032	5.3
501.18600	4.4
519.19867	47.4
520.20789	3.6
552.31293	4.1
608.22583	100.0
609.22913	8.3
640.24738	6.6
652.21509	25.2
684.24243	70.2
685.24866	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	685.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12577	0.5
59.01389	4.0
60.40128	0.5
71.01389	19.3
72.99323	3.8
87.00892	1.4
87.04499	0.5
88.04053	0.8
89.02446	3.5
101.02448	0.5
105.01891	0.7
111.04465	0.8
113.02468	0.8
113.03587	0.9
114.01931	1.0
115.00385	45.9
119.03510	0.6
131.03558	0.7
131.04646	1.4
132.03043	1.6
132.86819	4.7
133.01445	100.0
133.05054	4.2
134.01768	0.9
192.95828	0.8
217.58601	0.5
275.07715	0.8
293.08722	3.2
294.09149	1.0
317.08771	1.6
347.09811	0.6
349.00558	0.9
364.87842	0.6
395.12100	0.6
465.05035	0.6
587.13776	1.1
589.80621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
59.01392	6.4
61.98840	6.2
68.27982	0.8
69.16309	5.9
69.66772	0.9
71.01373	4.2
85.02947	3.2
89.02423	1.7
93.03429	1.8
96.96019	5.2
101.02474	1.5
104.02666	1.0
108.02156	2.4
109.02320	0.8
109.02953	5.2
113.02421	2.4
116.92847	1.1
117.03449	1.1
119.05032	1.2
121.02970	6.0
122.03757	5.9
123.04528	2.1
125.02442	2.3
132.02222	2.0
133.02977	38.4
134.03835	4.7
135.04549	44.6
136.04858	1.1
137.02440	2.4
141.75378	0.9
147.04549	3.2
149.02469	1.5
149.06081	1.5
150.03198	2.5
151.04044	3.1
152.01137	0.9
159.04453	0.9
160.01845	1.1
161.02472	100.0
162.02821	1.7
164.04756	1.1
165.05589	9.4
165.64970	1.0
167.03484	1.2
175.04045	4.3
177.01958	5.4
177.05598	4.4
178.02370	2.7
179.02084	1.6
179.03542	23.0
179.07133	2.8
180.03909	1.6
189.05588	0.9
193.04976	2.7
195.06616	1.2
210.04616	1.0
221.04530	2.4
269.04614	1.0
269.07800	1.0
289.07242	1.3
323.07764	15.7
337.09348	1.8
341.10339	1.1
346.14215	1.8
347.14975	6.2
361.16656	7.7
362.16806	1.1
410.17365	2.0
425.19922	1.0
475.17746	1.4
479.20361	1.6
490.17416	1.3
523.19678	9.4
599.15106	1.6
685.25031	71.6
685.39398	4.4
686.25568	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	685.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65740	0.4
52.12571	0.4
55.01881	0.9
57.03449	1.3
57.73787	0.4
58.00598	1.1
58.35356	0.4
59.01383	100.0
60.01705	0.6
61.98830	1.2
62.94420	0.4
69.76231	0.7
69.76583	1.0
71.01386	47.4
72.99307	1.2
73.02961	1.0
75.00885	0.4
81.18098	0.3
83.01393	1.5
84.02140	0.4
85.02956	10.9
87.00884	2.2
89.02451	61.9
95.01404	2.7
99.00892	0.4
101.02452	20.9
111.00919	0.5
113.02463	17.9
119.03511	21.7
121.02929	1.3
125.02492	0.5
129.01949	2.7
131.03525	2.4
135.04549	0.6
143.03522	4.7
146.71431	0.4
149.04601	2.2
149.05623	0.6
150.03215	0.8
156.25513	0.4
161.04590	4.8
165.05507	0.6
173.00887	0.6
176.94443	0.5
178.02747	0.5
179.04118	0.7
179.05623	12.9
193.05096	0.8
195.06528	0.5
202.00865	0.4
235.52061	0.4
236.48694	0.4
251.05539	1.2
313.10724	0.9
314.24576	0.4
341.10388	2.4
356.12405	1.5
359.14767	1.2
371.15027	5.6
391.13980	2.0
435.83124	0.4
523.34247	0.6
625.24207	0.4
685.39307	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	685.272
Annotation	(+)-Secoisolariciresinol diglucoside
Peak:m/z	Relative Intensity
53.70259	0.8
55.01862	2.8
55.67286	1.2
57.03435	2.5
59.01385	34.1
69.03449	1.3
69.16833	1.8
69.17241	4.1
71.01390	31.8
72.99301	1.2
73.02952	9.5
79.90869	0.8
81.72763	1.0
83.01379	4.5
85.02951	12.2
85.06575	2.2
87.00886	3.8
88.98828	1.2
89.02457	14.9
93.03453	1.3
95.01385	2.0
96.96000	0.9
97.02944	1.9
99.00886	2.6
101.02453	19.8
109.02946	3.4
111.00845	2.0
113.02449	10.4
119.03516	5.9
119.05053	1.0
121.02973	6.1
122.03748	8.1
123.04508	1.3
125.02496	1.4
131.03502	1.7
133.02957	2.7
134.03688	0.8
134.06110	1.1
134.15799	0.9
135.04495	2.8
136.05327	1.2
137.02432	1.4
141.28479	0.9
143.03513	2.2
145.05202	1.1
147.04533	5.2
149.06010	1.0
160.05280	1.0
161.02435	2.7
161.04559	6.4
161.05943	1.9
165.05574	14.0
175.07573	1.5
179.03412	1.7
179.05597	6.3
179.07159	3.3
191.05612	1.5
191.07175	0.9
193.04958	0.9
221.06592	2.8
239.37907	1.0
285.04138	8.0
313.14243	1.3
315.12195	1.2
328.13135	1.8
329.02591	1.0
343.15436	2.3
346.14267	6.1
347.15048	2.4
361.16611	33.1
377.08734	3.0
377.58759	1.0
469.13425	1.0
505.21194	2.0
523.21918	24.2
524.22253	1.6
641.25433	5.6
685.27155	100.0
686.27533	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	685.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52636	41.1
62.94413	43.6
63.51062	40.0
69.82290	38.1
70.16367	39.0
98.21889	89.7
230.43567	41.2
277.21634	100.0
423.99811	44.7
671.47162	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	26.0
62.87025	17.7
80.13395	14.8
80.25775	17.8
89.26829	16.2
251.20207	60.8
296.06696	20.3
368.25284	18.5
397.13474	100.0
415.14456	25.9
685.32220	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.5
59.09634	1.4
61.98835	3.5
65.96332	1.3
71.01395	3.5
71.41299	1.8
71.89204	1.5
72.99291	1.6
73.02947	5.6
74.99138	1.6
83.01372	1.6
85.02939	2.9
87.00845	1.6
89.02435	3.4
101.02435	2.5
108.02139	2.2
123.04532	2.3
125.02480	1.9
125.09732	7.2
135.04526	1.7
135.08131	2.2
136.01653	1.9
136.99089	2.0
137.65971	1.6
149.06110	3.3
150.06876	44.7
151.04071	2.2
151.07350	1.5
152.05962	1.3
155.10754	2.3
161.02438	2.7
162.03149	2.1
163.07674	17.3
164.08400	7.1
171.10258	7.0
178.10016	2.6
179.03445	2.0
179.10774	28.3
201.11333	35.7
210.23709	1.6
262.74753	1.6
269.04465	3.1
287.09320	3.6
306.18204	2.2
317.10715	2.2
320.19873	17.7
321.20709	22.1
322.21262	2.3
325.10550	1.9
336.19482	4.9
350.20984	23.9
351.21774	36.2
352.21759	1.9
431.27884	3.1
483.25955	16.4
487.30670	2.3
504.30920	10.7
505.31638	12.1
513.27118	16.9
514.26843	1.8
523.32404	3.6
665.62103	1.8
667.37042	25.6
685.38116	100.0
686.38403	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	685.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48051	0.8
53.26833	0.8
54.07028	0.8
57.03453	1.4
58.00582	2.2
59.01384	4.6
60.54905	0.8
61.98816	3.3
69.12254	5.7
71.01355	2.0
71.04997	0.8
73.02948	2.5
74.99093	1.3
75.00863	1.1
80.53154	0.8
85.02962	1.2
87.04503	2.8
89.02441	1.4
98.22598	2.0
101.02399	1.5
113.06076	1.5
118.98102	5.4
121.02996	0.9
123.04483	1.3
123.08128	2.1
125.02424	1.3
125.09731	20.4
127.11291	1.4
134.03711	0.9
135.04530	1.9
135.08153	2.0
136.05385	0.9
137.02451	0.9
141.09138	1.5
143.10954	0.8
149.06056	2.8
150.06873	61.9
151.07297	1.9
153.09279	1.4
155.10777	3.7
161.02393	1.3
161.09717	1.4
162.06873	2.3
163.07652	15.8
164.08426	10.9
165.05545	1.5
171.10278	11.0
176.08453	1.6
177.01964	0.9
177.09222	2.4
178.09998	3.9
179.03488	1.1
179.10788	35.7
183.10257	1.1
199.09747	1.5
201.11345	100.0
202.11665	2.1
202.15591	0.8
269.04456	1.4
289.18112	2.4
306.18405	2.7
307.19046	2.4
320.19904	15.0
321.20648	19.8
325.20230	2.5
327.21802	1.0
336.19434	5.5
350.21002	5.9
351.21768	51.0
352.22195	2.6
453.43936	0.9
483.25888	11.8
487.30844	1.6
504.31009	3.7
505.31726	13.5
513.26959	6.8
523.32971	2.0
596.97064	1.0
667.37000	21.5
668.37140	1.7
685.38031	79.3
686.38458	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	685.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43783	1.0
55.01800	1.1
55.26852	1.1
57.03443	2.6
58.00595	1.8
59.01367	4.2
61.98836	6.6
71.01393	2.0
73.02941	2.7
73.42257	1.1
85.02928	1.6
87.04508	4.5
89.02472	2.1
98.21874	2.5
111.08155	1.1
113.06110	1.5
123.04537	1.6
123.08147	2.4
125.09746	16.5
134.03624	1.1
135.04501	4.8
136.01685	1.5
143.05258	1.1
147.41072	1.0
149.06029	2.0
150.03262	1.4
150.06879	53.5
151.03989	2.4
151.07285	1.6
153.09186	1.6
155.10802	2.9
156.57590	1.3
161.09764	1.3
162.06851	2.7
163.07654	8.9
164.08466	11.8
165.03091	1.1
171.10265	12.9
176.01154	4.2
177.09218	1.8
178.09959	3.6
179.10780	30.5
180.11087	1.4
191.03514	3.6
199.18317	1.1
201.11336	100.0
202.11676	2.8
281.79922	1.2
306.18579	1.6
320.20032	5.5
321.20639	9.8
325.20215	2.6
327.21909	1.6
336.19632	6.4
350.21057	1.8
351.21780	41.7
352.22031	2.7
487.30765	3.4
504.31183	3.4
505.31824	12.5
513.26868	3.5
523.32751	3.2
667.37012	26.0
668.37842	2.8
685.38116	94.3
686.38422	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	685.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75744	1.1
55.51114	1.0
59.01392	5.8
61.98832	6.5
64.86651	1.1
71.01382	4.7
72.57226	1.1
73.02939	2.5
81.48479	1.1
82.95387	1.1
85.02969	2.5
87.04522	3.0
97.06542	1.5
101.02444	1.8
110.43610	1.4
113.02432	2.7
113.06151	1.4
120.69642	1.0
121.03027	1.3
123.08179	3.4
124.73421	1.1
125.02435	1.6
125.09735	11.3
127.11260	1.6
135.04515	3.2
135.08203	2.1
136.01633	6.0
142.50558	1.1
146.36223	1.3
149.06076	2.1
150.03255	1.8
150.06874	56.2
151.04047	8.6
151.07625	2.2
152.01210	2.1
153.09225	1.1
155.10806	6.0
162.06871	2.7
163.07657	21.8
164.08427	8.1
165.05597	2.2
167.03467	3.0
171.10278	11.2
176.08403	2.1
177.09190	3.1
178.09993	3.2
179.10779	32.1
180.11066	1.2
195.06601	1.8
199.07874	1.1
199.09729	2.6
201.11330	52.5
202.11729	1.7
227.60075	1.2
269.04520	4.1
281.24332	1.1
289.18103	1.2
306.18411	4.7
307.19098	2.1
320.19916	24.9
321.20682	30.9
325.20041	2.6
327.21820	1.5
336.19485	4.6
350.21024	21.3
351.21771	31.7
357.13358	3.4
358.13794	3.0
361.16498	1.8
391.41342	1.1
401.77362	1.3
483.26068	22.9
487.30573	1.9
504.31198	14.1
505.31796	15.5
513.27106	17.1
523.32684	3.4
667.37018	39.9
668.37439	4.4
685.38080	100.0
686.38226	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	685.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
56.11447	0.8
57.03442	3.3
59.01387	32.5
61.98841	10.9
69.03442	1.0
71.01389	24.7
71.58411	0.9
72.99300	2.0
73.02953	8.7
82.95382	1.1
83.01392	5.1
85.02964	12.6
87.00883	2.9
88.98795	1.1
89.02455	9.4
93.03462	1.4
94.52004	0.7
95.01399	2.1
95.85862	0.7
96.96030	0.9
99.00895	2.7
101.02448	22.6
111.00908	3.2
112.98860	0.7
113.02465	9.4
119.03509	4.3
121.02964	1.6
122.03693	0.9
129.01990	1.2
132.04535	1.3
135.04527	5.5
136.19507	0.7
137.02452	1.1
143.03467	1.5
148.64340	0.8
150.03154	1.9
155.10820	0.9
159.03087	1.4
161.02423	2.1
161.04549	1.6
163.67715	1.0
165.05618	1.4
179.03531	4.5
179.05647	1.7
181.08699	1.3
191.05606	1.4
195.06654	1.0
201.14961	0.9
217.18341	0.7
241.99265	0.8
285.03900	0.9
361.29642	5.3
523.34949	9.4
685.40228	100.0
686.40759	7.0
713.84851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
57.03441	2.1
59.01387	38.2
60.77027	0.6
61.98840	10.6
66.16393	0.5
69.41181	1.7
71.01392	26.6
72.99313	1.1
73.02954	6.2
75.00898	0.6
83.01402	4.4
83.04998	0.6
85.02964	11.9
87.00880	1.4
87.04492	1.0
89.02455	12.0
95.01408	1.8
96.96031	0.8
97.02953	0.9
98.22665	1.1
99.00890	2.1
101.02454	20.0
109.02972	0.6
111.00891	3.2
113.02456	9.1
119.03506	5.5
124.03962	0.5
125.02449	0.8
129.26282	0.7
131.03581	0.7
133.02974	2.6
134.06102	0.6
135.04543	3.6
148.72595	0.6
153.01955	0.8
159.02995	0.7
161.02472	7.3
161.04565	2.1
165.05574	1.2
177.01955	2.5
177.05589	0.6
178.02341	1.2
179.03629	3.2
179.05597	1.8
183.02583	0.7
191.05568	1.4
246.80556	0.7
271.22797	0.6
285.04135	1.1
287.22278	1.2
315.25305	1.5
323.07605	1.0
337.05707	0.7
361.29565	5.7
505.33896	1.0
523.34900	14.4
593.31848	4.8
611.32343	1.8
654.46051	0.7
685.40228	100.0
686.25256	1.0
686.40399	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	686.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	36.8
61.98835	3.3
71.01390	16.1
85.02953	4.5
87.00884	1.8
88.98822	1.8
89.02458	10.6
96.96016	3.0
101.02471	9.4
106.06651	1.9
112.98849	1.5
113.02437	4.4
119.03525	3.9
121.02972	1.5
122.06123	5.9
132.04539	7.9
133.02831	1.7
134.06136	23.8
135.04515	3.1
147.04509	2.1
150.05618	4.1
152.07138	4.8
158.02505	3.9
160.04028	4.0
161.02411	3.7
162.05627	2.2
164.07166	1.4
176.03494	1.8
179.03522	3.5
182.99699	1.6
190.05147	12.2
191.05669	2.6
192.06598	2.5
207.06665	1.8
215.11896	2.4
222.65321	1.5
223.08800	3.3
224.09564	2.7
239.11859	12.9
240.10233	1.8
241.09825	1.8
245.95332	1.4
251.12077	3.3
253.06158	5.3
253.09872	1.9
263.08078	2.1
265.09940	1.7
267.07861	3.1
268.08527	3.1
279.11365	1.6
280.08481	1.5
281.09500	1.9
283.10922	44.1
285.03909	2.5
291.07718	4.1
295.10818	11.7
305.09256	2.1
306.09933	2.0
314.12457	3.2
322.44028	1.7
337.11951	1.9
430.18292	1.4
610.24243	18.7
626.23944	1.7
642.26544	3.5
654.23090	100.0
655.23749	6.6
686.25739	82.1
687.25946	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	686.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25356	0.8
55.37882	0.8
59.01385	30.9
59.63013	0.8
62.02286	0.8
69.52303	1.7
69.52699	2.6
71.01390	14.8
73.02969	1.0
83.01393	1.0
85.02952	3.5
89.02454	11.5
95.89182	0.9
98.22636	1.1
101.02466	8.8
102.02725	1.0
106.06624	2.0
109.02959	1.0
113.02463	3.6
119.03495	3.8
121.02953	1.4
122.06155	4.2
122.95570	0.8
132.04559	4.7
134.06136	17.9
135.04497	3.9
147.04539	2.2
150.05611	2.1
152.07166	4.9
158.02490	1.6
160.04045	3.5
161.02399	1.2
162.05669	1.0
165.05559	3.2
172.04164	0.9
173.04584	0.9
174.05612	1.0
179.03508	3.8
190.05142	7.4
191.05612	2.2
193.33495	0.8
207.06659	2.2
211.12590	1.2
215.11861	2.6
223.08815	2.2
224.09569	2.7
236.09679	1.3
237.82072	0.8
239.08315	1.4
239.11940	13.5
240.10312	1.7
241.09836	2.0
249.61964	0.9
251.11926	2.8
253.06204	4.3
255.07848	1.7
255.11484	2.1
265.10010	1.1
267.07736	3.0
268.08502	3.6
277.09766	1.4
279.07846	2.7
279.11304	1.5
280.08453	2.1
281.09338	2.1
283.10904	36.1
284.11224	1.5
285.04013	1.7
291.07764	3.4
295.10938	9.7
305.09427	2.4
306.09976	2.7
314.12375	2.8
323.10214	1.4
386.18463	1.5
402.18546	1.5
430.17801	3.1
434.63062	1.0
537.19812	2.3
610.24170	17.7
611.24915	2.2
642.42957	1.0
654.23108	100.0
655.23315	9.1
686.25677	37.0
686.37738	1.1
686.42456	0.9
687.26270	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	687.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
60.99331	0.4
61.98823	0.4
67.01888	1.2
69.03450	0.4
71.01385	1.4
73.02944	0.4
81.03455	0.4
83.05025	0.4
85.02959	6.4
85.06604	0.3
87.00887	2.5
89.02455	0.6
93.03470	9.7
99.04562	0.4
101.02438	0.5
107.05042	0.3
109.02971	1.0
111.04567	1.7
113.02473	0.6
115.04000	0.3
121.02982	0.4
127.04060	1.9
133.02971	1.4
134.03769	0.4
135.04543	12.7
137.02402	0.5
150.03143	0.4
153.02028	0.4
155.03526	0.4
161.02475	5.8
161.04509	0.4
165.05550	0.5
173.04616	3.2
179.03520	11.7
191.05635	100.0
192.06009	1.9
223.94009	0.3
223.96269	0.3
233.52913	0.4
236.68364	0.3
239.01472	0.3
353.08817	14.6
354.09131	0.5
367.10367	20.6
368.10767	0.8
445.20523	0.3
474.99820	0.3
477.19360	0.5
489.19730	0.5
497.12964	0.4
515.14026	0.7
525.21063	0.4
529.15692	9.7
530.16022	0.7
557.15149	3.3
687.21387	4.7
687.33429	0.5
688.22107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	7.0
59.01385	2.1
61.98832	1.0
70.02999	4.5
71.01386	2.3
72.00897	1.4
72.04541	1.9
74.02480	39.7
96.96000	1.3
98.02484	8.8
98.84215	0.7
101.02474	0.9
105.66673	0.7
116.03549	10.8
116.05076	14.2
124.23876	0.9
130.06624	1.3
135.04536	9.5
136.05319	1.1
142.06648	2.4
147.04471	1.1
159.09294	4.2
161.02458	0.7
161.04549	2.3
164.04736	0.9
165.05661	0.8
183.09232	0.9
186.05630	1.0
190.10037	10.2
191.10762	7.3
201.10345	3.0
203.08281	38.9
204.08554	1.2
245.09335	100.0
246.09645	3.7
299.02112	0.9
301.03418	0.8
302.21957	0.8
353.15924	1.0
397.15100	4.4
405.66519	0.8
426.73621	0.9
435.03030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17710	0.8
59.01379	4.3
61.38932	0.8
61.98824	1.6
69.36668	1.8
69.37070	3.2
71.01364	1.1
85.06589	1.9
96.96003	3.4
108.02174	2.9
109.03000	4.1
113.06094	10.4
114.60435	0.7
115.03993	2.6
121.02900	1.2
123.04523	1.1
125.02437	1.0
133.02977	2.7
134.03751	52.1
135.04497	1.3
137.02472	4.8
139.04028	6.9
149.06091	17.2
150.03207	1.4
151.03972	1.3
152.01175	3.0
153.01939	4.0
157.05074	2.7
160.01665	2.9
165.05574	1.7
175.04057	5.1
176.04869	1.0
178.02722	29.9
178.28888	0.8
179.03413	1.3
192.04289	7.7
193.05066	100.0
194.05469	1.6
195.06721	0.9
207.06625	16.8
219.67285	0.7
235.05998	0.9
329.13916	1.1
337.09390	1.8
341.13962	1.3
355.10342	4.9
397.11450	11.6
527.17688	2.5
689.21027	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	689.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36548	13.1
57.91204	13.7
59.01377	24.9
63.29817	16.4
67.15794	13.0
69.25149	85.3
71.01421	22.1
72.99313	29.6
87.19604	14.7
88.91824	14.1
100.61431	17.0
135.36624	18.6
150.27255	15.4
201.57248	19.6
243.06813	20.6
255.23430	34.1
282.92438	17.7
305.99783	15.5
329.13809	23.3
369.13562	19.1
374.27136	15.2
375.45569	15.5
393.19241	20.8
397.13412	100.0
454.13474	20.7
629.40973	32.2
657.30731	40.7
689.34625	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38430	2.3
57.19119	2.5
61.98829	9.6
68.98283	2.3
69.48553	6.5
69.48942	5.2
72.34753	2.9
72.71809	2.2
93.38776	2.8
103.25906	2.3
125.54302	2.5
138.49620	3.0
142.41412	2.4
150.36180	2.5
182.71461	2.6
185.86562	2.6
224.98463	3.0
481.14838	4.7
495.16794	10.3
551.19379	32.2
552.19983	4.4
627.21082	100.0
628.21509	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	690.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
57.03459	1.2
59.01384	41.7
60.01683	1.0
61.98815	1.3
62.33161	1.0
69.93354	1.1
71.01388	27.1
73.02949	6.2
75.93727	1.0
83.01393	2.3
83.05087	1.1
85.02956	4.8
87.00887	4.4
89.02457	20.4
95.01391	1.3
97.02949	3.4
101.02445	23.5
113.02453	9.3
119.03549	8.1
125.02490	8.7
131.03484	1.3
143.03526	2.7
161.04549	5.9
179.05638	4.1
199.05978	1.2
221.06694	1.8
235.08316	10.2
249.18628	64.4
250.18938	2.4
253.09276	4.6
287.07816	4.8
305.08823	3.2
323.09729	2.3
397.13535	100.0
398.14078	5.3
415.14569	32.5
416.14655	1.7
465.78458	1.5
492.34875	1.2
647.32709	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	691.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.7
61.98828	1.1
62.68592	0.8
71.01374	2.1
89.02453	0.9
95.92433	0.8
96.96001	0.8
101.02483	0.9
109.02997	0.9
121.02982	4.9
122.03738	2.6
124.49302	0.7
125.16061	0.8
136.01674	62.5
137.02441	2.3
139.04039	4.8
151.04021	85.5
152.04375	2.0
160.05327	1.4
162.03288	0.9
175.07602	1.2
199.07690	0.8
241.04915	0.8
326.11252	1.0
342.11160	4.6
357.13455	100.0
358.14032	4.8
369.20078	0.8
461.95398	0.8
501.17517	5.7
515.28992	1.5
559.32904	1.3
691.35876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59305	3.0
53.39565	2.9
59.01389	41.3
61.98849	4.7
69.15359	19.8
71.01389	26.7
73.02946	5.3
75.00851	3.1
85.02964	6.9
87.00884	7.1
89.02444	20.5
101.02464	20.2
111.59506	2.8
113.02446	10.9
119.03544	5.4
125.02471	7.8
129.85855	3.5
161.04654	4.1
164.40497	3.7
179.05632	6.5
179.71292	3.0
235.08189	7.8
235.17049	37.3
251.01070	3.1
275.20200	37.5
293.21271	100.0
397.13556	64.0
415.14590	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03015	1.9
59.01382	20.7
61.98832	3.2
66.13132	1.8
71.01387	15.7
73.02962	3.7
85.02961	4.2
87.00862	2.8
89.02465	13.6
95.01447	2.3
97.03008	2.4
100.47693	2.0
101.02443	10.8
105.28682	1.8
110.46898	1.8
113.02451	3.6
119.03489	2.5
125.02436	2.2
163.28514	2.2
177.77545	2.2
179.05586	3.4
195.13907	5.6
205.27859	2.2
223.13475	5.2
228.58041	2.1
235.08385	2.8
269.68140	2.3
275.20096	3.8
293.21262	100.0
294.21466	3.6
299.50537	2.3
397.13611	19.1
415.14566	26.7
430.05585	2.5
646.92053	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	691.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77496	2.2
55.84164	1.9
59.01384	63.2
61.98831	4.3
67.31172	2.1
69.03474	2.8
69.78557	8.3
71.01389	42.2
73.02961	7.9
83.01389	4.0
84.90578	2.0
84.95661	2.5
85.02965	8.0
87.00875	12.0
89.02454	35.8
95.01354	2.2
97.02958	7.3
101.02453	36.2
106.49149	2.0
113.02442	10.2
119.03517	10.0
121.10281	20.3
125.02443	11.4
140.29811	2.4
143.03481	6.5
145.08026	2.4
161.04576	7.9
171.10283	53.3
179.05624	8.0
193.60669	2.4
228.67490	2.0
235.08223	15.8
235.17065	5.6
241.36168	2.3
253.09273	4.1
275.20166	58.6
283.99661	2.2
287.07684	4.5
293.21259	97.2
294.21417	3.9
305.08884	4.0
397.13513	100.0
397.18857	5.1
398.13690	3.3
415.14600	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.7
61.98832	0.4
85.02990	0.4
97.93617	0.3
98.22609	0.7
101.02468	0.5
102.20245	0.3
107.67454	0.3
119.03470	0.4
130.88080	0.3
136.60020	0.3
160.21410	0.3
310.98688	0.3
326.38525	0.3
339.26978	0.5
351.56888	0.3
407.33212	2.1
408.33670	0.4
453.33603	0.6
469.33267	100.0
470.33588	10.3
483.34671	0.9
511.34399	1.7
626.47437	0.3
631.38855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67582	0.8
59.01384	8.7
61.98838	10.9
70.78232	1.4
101.02459	0.8
117.63585	0.7
138.58931	0.7
395.29742	1.3
423.32620	3.6
425.34058	1.7
469.33261	100.0
470.33655	11.0
483.34821	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	692.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	10.8
66.27015	3.4
69.03458	5.4
71.01391	5.4
71.52812	3.3
78.95907	4.1
83.05018	8.3
83.56934	3.6
99.04523	4.8
101.02442	3.6
111.04523	8.6
113.02448	18.6
155.03491	9.3
185.04558	4.8
247.13693	4.4
266.79761	4.2
277.21722	100.0
312.95343	4.2
336.65131	3.5
359.25864	4.8
415.24982	17.6
462.99527	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	693.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90160	2.0
52.36193	1.6
54.06427	1.7
58.00604	2.1
59.01383	100.0
67.71903	2.1
69.03437	3.0
71.01383	21.2
74.36183	2.0
77.04317	1.8
83.05042	10.4
85.02956	5.3
87.00919	2.5
89.02472	9.2
91.26418	1.9
93.03477	2.6
96.99315	4.6
97.02956	2.7
99.00636	5.1
101.02457	6.7
103.91914	1.9
111.04534	12.4
113.02451	13.6
119.03538	4.2
123.04579	2.6
127.04006	3.6
131.03497	10.8
137.02376	2.7
141.00574	4.0
141.01709	74.4
153.01701	24.3
155.03514	5.3
158.33165	1.8
171.02718	2.7
171.94655	6.7
173.04506	5.3
179.03282	3.6
179.05591	2.3
201.03850	15.0
222.90257	2.1
237.03746	5.4
258.84589	1.8
261.05927	3.9
275.07721	19.1
293.08841	16.7
300.21686	2.0
315.07025	21.1
317.08820	8.2
335.09772	1.9
347.10013	3.5
357.08063	64.1
375.09134	11.8
377.11047	2.1
387.08594	2.2
395.11490	3.8
472.25354	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.2
59.01383	38.6
71.01015	2.4
71.01388	24.2
72.99313	1.8
73.02962	3.2
83.01404	4.1
83.05002	1.1
84.14452	1.1
85.02951	12.2
85.06611	1.5
87.00885	28.7
88.10661	1.2
89.02441	10.0
93.03464	30.6
95.01392	2.2
98.21881	2.9
99.00925	1.5
99.04562	2.0
101.02467	9.5
111.00901	4.0
113.02455	11.1
115.00383	35.4
119.03535	4.0
125.02421	2.2
127.03999	1.6
132.04573	2.1
133.02953	6.1
134.06119	7.6
135.04529	9.2
136.01692	5.7
137.02458	49.7
139.00375	5.2
146.06114	1.9
151.04042	2.8
157.01418	6.6
158.02505	3.0
160.04063	3.4
161.02457	3.9
161.04628	2.3
163.04063	1.3
165.03966	1.4
173.04564	3.9
175.02492	59.8
177.01941	2.1
179.03528	27.5
190.05128	18.0
191.05629	100.0
192.06215	2.8
193.02754	1.4
209.04564	3.3
218.04648	1.3
220.06250	1.3
225.86562	1.2
230.04607	1.7
235.42163	1.1
239.05602	12.8
285.04077	1.9
299.07751	23.6
314.12527	1.8
314.83176	1.4
337.11844	4.9
341.08688	6.1
351.07162	6.4
353.08774	14.4
395.09869	2.7
501.18781	1.7
517.18353	33.7
518.18457	2.1
545.18317	2.4
547.19495	3.2
549.25299	4.1
557.17706	2.6
559.19250	1.8
575.18927	7.7
577.20465	8.5
578.20544	1.4
601.16345	1.7
633.19470	3.5
693.17236	4.5
693.30377	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	693.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92103	0.4
53.37054	0.4
57.03459	0.7
58.72853	0.5
59.01385	18.0
63.72548	0.4
64.33901	0.4
69.65742	0.8
71.01382	8.3
72.99357	0.7
73.02946	0.6
83.01423	0.4
85.02964	2.7
85.06610	3.2
87.00893	1.2
87.93173	0.4
89.02451	7.3
92.02696	1.0
93.03466	42.3
95.01415	1.3
96.96040	0.7
101.02456	4.6
104.72243	0.4
105.54245	0.6
107.05059	0.7
113.02466	5.3
113.06079	0.9
115.00362	1.1
115.04045	1.1
119.03547	3.0
121.02974	1.2
127.00993	0.4
129.49823	0.4
133.03020	2.2
135.04532	3.6
136.01666	4.3
137.02457	100.0
138.02785	2.4
138.06635	0.5
139.04004	2.0
149.00887	0.5
151.04044	3.5
159.04553	0.6
161.02463	1.9
161.04587	0.8
165.05530	0.7
169.83154	0.5
173.04555	1.7
175.02467	1.5
177.01962	1.2
179.03516	18.9
190.05124	0.6
191.03966	0.7
191.05653	6.4
203.42690	0.5
209.04601	2.2
239.05614	7.0
255.02794	0.5
258.15521	0.6
281.06796	2.6
285.03983	1.8
299.07748	47.1
300.08142	1.5
339.05014	0.7
341.08777	16.9
342.09064	0.7
351.07166	1.6
353.08710	1.4
439.12463	1.1
517.18359	0.6
549.25781	0.7
693.16785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
58.03776	1.3
58.25428	1.0
59.01387	6.4
61.98829	18.2
63.78925	1.1
69.13376	8.1
71.01385	2.9
81.03461	3.5
85.02964	1.2
87.00855	1.4
93.03474	1.3
99.04528	52.5
99.05187	2.5
101.02460	16.4
109.02980	1.1
125.02464	21.3
127.90600	1.0
137.02441	4.7
151.00388	8.7
151.03989	1.4
152.04739	1.5
162.20677	0.9
166.02733	33.6
167.03470	1.3
173.04530	1.1
177.01933	1.9
179.03610	1.3
181.05081	45.5
182.05386	2.1
187.71216	1.0
190.06346	1.4
191.03494	1.5
193.04938	1.2
253.92769	1.4
264.15533	1.0
275.07733	3.9
315.31464	1.2
359.11249	1.5
387.10593	6.3
387.14993	2.3
402.13272	5.4
417.15588	87.2
418.15695	4.8
468.23212	1.2
531.18781	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	693.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
59.01397	1.4
69.43694	4.3
69.81282	0.9
71.01378	1.2
81.03466	3.1
83.01389	2.0
90.80837	0.9
93.03444	2.4
95.01402	1.2
95.05016	2.3
97.02960	5.9
98.22665	1.6
108.02140	1.4
109.02957	26.7
114.30148	0.8
121.02947	2.8
122.03774	0.9
123.04544	15.5
125.02454	17.9
132.24545	0.8
134.03772	1.5
134.04753	0.8
135.04524	2.6
137.02470	7.9
139.04047	4.1
146.03711	1.3
146.28218	1.0
147.04565	1.0
149.02480	3.9
150.03148	2.0
151.04002	8.3
151.27623	0.9
159.04564	2.8
160.05304	1.9
161.02446	2.3
161.06097	3.7
162.03229	1.1
163.03992	1.2
164.01146	4.8
165.01982	4.2
165.13977	1.0
167.03490	2.9
175.04039	2.2
175.07629	1.7
177.05681	1.1
179.03505	6.7
185.06201	1.0
187.04050	5.7
188.04826	3.1
191.05492	1.0
199.07603	1.0
201.05588	1.6
202.06398	2.6
203.07140	12.2
205.05069	8.6
221.08192	3.1
227.07291	2.1
245.08217	16.8
247.06140	1.1
271.06146	1.6
287.05814	1.8
289.07199	100.0
290.07520	2.7
412.87320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.8
61.98828	2.4
66.35007	0.5
69.35307	0.6
71.01364	1.1
82.95395	0.6
83.01397	0.6
84.95113	1.5
85.06606	0.7
87.00935	0.7
89.02428	0.6
93.03442	0.6
96.96037	0.8
101.02435	0.9
101.18755	0.6
101.53895	0.6
104.17172	0.6
114.93428	3.0
121.02979	3.2
122.03780	1.0
123.00891	0.7
123.04536	0.7
124.01685	0.8
135.04539	1.0
136.05283	1.4
137.02454	0.7
139.04021	3.6
139.55035	0.8
143.04997	0.6
147.04530	1.3
149.02364	0.9
150.03226	2.5
158.03743	2.0
159.04517	6.7
160.05305	23.8
161.06084	6.0
163.04001	2.1
164.04814	3.3
173.06090	2.6
174.06955	1.0
175.07651	21.3
176.04762	1.1
177.01961	2.6
177.05559	4.3
178.06366	12.9
179.03404	0.8
187.48579	0.6
192.07985	4.8
193.08777	2.9
248.85246	0.6
260.19376	0.6
269.04318	0.6
314.11395	0.7
329.13953	100.0
330.14371	3.9
348.36041	0.7
359.15103	7.0
395.42590	0.7
503.19312	5.4
504.19955	0.7
505.69724	0.7
519.66583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86557	0.9
51.77306	0.9
51.90644	0.9
55.73453	0.9
59.01381	8.2
61.98845	5.3
68.74380	0.8
69.64954	2.2
71.01385	3.0
73.02969	1.1
78.95897	1.6
81.79256	1.0
83.01388	1.2
85.06623	1.4
89.02462	1.2
89.40859	1.1
92.32322	1.2
96.73515	1.0
96.95999	1.1
108.02224	1.3
113.02494	1.2
114.75245	0.9
115.04048	1.4
121.02975	2.1
122.03754	1.9
133.02980	2.4
139.04063	3.8
147.04520	2.0
149.02470	1.2
150.03267	3.9
152.99603	2.3
158.03763	3.0
159.04465	6.8
160.05325	23.8
161.02550	1.3
161.06056	6.1
163.03952	2.2
164.04836	3.8
173.06129	3.8
175.07668	21.2
177.01947	31.6
177.03496	1.6
177.05620	4.2
178.02415	1.2
178.06349	12.3
179.03629	1.2
192.07947	5.9
193.08716	2.6
217.39230	1.2
226.49939	1.0
269.04483	1.5
283.02310	1.2
291.12381	2.1
299.12943	1.7
329.13968	100.0
330.14200	5.7
333.13419	6.3
339.07407	1.6
359.14911	7.0
389.47040	1.3
401.16150	2.9
473.18262	10.6
495.18903	8.4
533.19788	1.5
538.16528	1.0
657.25037	1.5
657.39026	1.4
675.17017	1.4
693.18298	1.8
693.35938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06584	0.3
61.98835	100.0
69.41981	1.0
69.42393	0.5
74.90865	0.3
101.59441	0.3
167.80484	0.3
470.33890	0.8
471.33954	0.9
472.34424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36696	0.3
61.98835	100.0
64.62324	0.4
65.93800	0.4
67.83151	0.4
83.95972	0.4
86.52648	0.3
98.22647	0.6
113.44576	0.4
148.82758	0.4
318.44562	0.4
465.52841	0.4
472.34100	0.4
485.45688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73405	0.1
59.01383	0.3
67.67921	0.1
88.16626	0.1
99.92592	11.6
100.92606	0.2
101.02473	0.1
114.93427	0.5
116.92873	100.0
117.92885	2.9
118.90038	0.1
133.03015	0.2
135.04530	1.2
145.03036	0.1
153.09825	0.1
161.02405	0.6
177.01920	0.3
179.03502	1.0
186.51862	0.1
187.89052	0.1
200.49763	0.1
257.68857	0.1
269.04648	0.6
285.66898	0.1
402.37421	0.1
432.92490	0.1
546.80554	0.1
577.13739	0.2
660.06354	0.2
677.06226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67441	0.2
59.01376	0.4
61.98822	0.5
75.12422	0.2
82.27878	0.2
99.92590	12.3
114.93437	0.4
116.92870	100.0
117.92877	2.0
118.89964	0.2
135.04475	0.2
145.02986	0.2
151.03990	0.2
161.02354	0.2
168.05460	0.2
197.36664	0.2
269.04544	0.8
329.14044	0.2
457.23816	0.2
473.32913	0.6
518.61633	0.2
577.13361	0.2
634.94617	0.2
660.06000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98828	0.6
68.34506	0.1
71.01424	0.2
73.02943	0.6
79.12215	0.1
87.00859	0.2
89.02472	0.2
96.96021	0.2
99.00851	0.2
99.92592	10.8
100.92613	0.3
101.02451	0.3
114.93448	0.4
116.92873	100.0
117.01970	0.9
117.92885	3.3
127.69251	0.1
161.71989	0.1
163.70366	0.1
173.04662	0.2
191.05658	0.1
198.31125	0.2
249.20703	0.1
268.03787	0.1
269.04559	4.4
316.73956	0.2
567.89142	0.2
577.15912	0.7
689.88531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
67.01883	0.6
71.01387	1.2
71.42631	0.3
72.38804	0.3
73.02950	0.3
76.22313	0.2
83.05018	0.4
83.81390	0.2
85.02956	6.7
85.06564	0.3
87.00882	1.4
89.02460	0.8
93.03465	3.3
96.95976	0.4
100.16321	0.3
101.02422	0.5
109.02985	0.7
111.04534	0.8
113.02473	0.3
116.92882	0.7
127.04050	1.7
133.02956	3.1
134.03314	0.3
135.04544	5.6
137.02461	0.5
149.06204	0.2
161.02435	5.2
165.04128	0.6
165.05542	0.3
171.02948	0.6
173.04582	1.6
177.01892	0.7
177.05563	0.9
179.03496	5.5
188.11102	0.3
191.05626	100.0
192.05949	2.1
195.03091	0.5
215.05605	0.5
221.04544	0.8
229.14656	0.3
251.05537	1.3
281.06647	2.0
291.28717	0.3
293.12396	0.5
341.08765	3.3
351.07254	0.8
353.08804	14.3
354.08902	0.6
495.14963	0.5
537.08765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07669	0.3
59.01380	3.2
61.98817	0.3
64.97422	0.2
68.28307	0.3
71.01388	0.8
79.25108	0.2
80.85223	0.3
82.45694	0.3
85.02978	0.4
85.06577	0.9
93.03467	1.1
108.02177	0.4
109.02970	3.6
111.04508	0.4
113.06124	0.3
115.03999	0.7
121.02975	10.9
122.03755	12.9
123.04578	1.4
124.01669	0.7
129.03479	0.5
134.03760	0.9
135.04532	2.0
136.05289	1.3
136.09418	0.3
137.02448	0.7
139.04027	2.4
144.34276	0.3
146.03708	0.6
147.04520	5.2
148.05351	0.6
149.06090	1.1
151.03998	0.5
154.02682	0.4
161.04659	0.6
161.06090	1.8
162.06871	0.4
165.05582	21.5
166.05937	0.5
167.93555	0.3
175.07547	0.3
176.08574	0.3
177.01955	0.5
178.06349	0.5
179.07147	7.2
191.07097	0.3
193.05185	0.3
205.08762	0.3
209.08299	0.7
223.09795	0.7
298.12027	0.9
301.10718	0.3
313.14526	1.0
315.12411	2.2
316.12909	0.7
331.15579	0.4
339.58856	0.3
346.10098	0.6
346.14215	8.7
347.14639	0.9
361.16580	100.0
362.16901	7.3
403.17825	0.4
505.20795	5.0
506.21280	0.4
516.90326	0.3
523.21667	0.8
565.22754	1.1
581.88324	0.3
653.52252	0.4
695.22241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09229	6.0
54.59661	6.9
59.01381	37.5
61.98840	13.6
71.01376	23.1
71.40427	6.7
75.24313	7.0
75.89915	7.7
78.91882	17.7
80.91689	17.5
89.02464	21.8
94.48418	7.2
101.02449	17.3
113.02513	9.6
119.41479	7.6
120.97588	7.5
125.02460	10.7
154.84312	7.2
157.22464	6.9
169.36963	8.9
169.38927	6.9
235.08266	10.4
255.23299	72.0
397.13602	100.0
398.13757	12.0
415.14740	38.9
589.03339	7.6
652.85614	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	696.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03452	1.0
58.00578	1.0
59.01386	35.4
61.98825	2.3
69.03469	1.7
71.01020	1.6
71.01388	22.2
72.99290	1.0
73.02955	4.4
83.01384	2.3
85.02942	5.2
87.00877	6.2
89.02451	21.4
95.01404	1.4
97.02938	3.9
98.22654	1.4
101.02457	20.2
113.02467	9.2
114.01943	0.7
119.03506	7.1
119.36472	0.9
121.02927	1.2
125.02475	9.5
131.03442	1.1
139.03990	1.0
143.03528	3.4
149.04626	1.0
161.04524	4.7
163.35487	0.8
172.92891	0.7
179.05614	3.6
199.05826	1.0
221.06610	1.6
235.08304	9.8
253.09268	2.4
255.23315	73.3
256.23599	3.2
287.07709	3.2
305.08743	3.7
397.13538	100.0
398.13864	2.6
415.14615	32.8
653.37390	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	697.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52339	1.1
53.96482	1.1
58.54575	1.0
59.01382	16.5
61.98830	3.9
71.01395	9.7
71.41723	1.3
72.99306	2.1
73.02965	3.5
82.95439	1.2
83.01399	2.9
85.02967	5.8
89.02460	3.9
93.03447	1.9
96.96008	1.9
97.02952	1.8
97.87602	1.3
99.00889	1.3
101.02451	8.8
107.17317	1.1
108.02170	1.3
109.02987	2.9
109.36414	1.1
113.02471	5.2
116.92879	11.7
119.03642	1.5
119.05044	27.2
121.02998	3.4
122.03743	1.5
123.04522	1.8
123.08166	1.6
125.02454	3.2
132.02203	2.0
133.03001	6.3
134.03757	85.9
135.04510	3.2
136.01730	1.7
137.02486	8.8
139.04065	3.3
145.02991	1.6
147.04596	2.4
149.02359	1.5
149.06096	19.6
150.03232	7.1
151.04059	2.4
152.01215	1.6
153.09224	16.4
160.01701	9.6
161.02434	4.7
161.04610	1.7
161.06065	2.3
163.04036	12.7
165.01997	1.2
165.05606	5.0
167.03491	2.3
175.04041	9.1
176.01184	4.2
176.04808	1.9
177.01945	4.0
177.05594	4.7
177.09206	4.0
178.02734	44.1
179.03537	3.9
179.07144	2.2
180.04399	1.3
191.03505	4.5
191.07191	2.0
193.05075	100.0
194.05423	2.8
195.06602	2.2
197.08237	3.9
199.99382	1.3
203.03343	1.7
207.10197	1.5
217.05008	2.5
221.08221	3.5
235.06114	6.5
259.06146	2.1
269.04840	1.5
281.10385	3.3
323.07840	3.4
337.09296	4.2
341.12442	35.0
355.10483	2.4
373.13370	2.6
379.03464	1.4
457.27573	1.3
491.19180	4.4
501.14209	5.9
517.17743	1.5
521.22382	4.4
535.18286	63.7
536.18646	4.1
577.18646	1.5
661.19739	2.1
661.38165	3.4
697.25623	3.1
697.36768	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24363	0.6
56.30554	0.7
56.60435	0.6
58.26550	0.6
59.01385	3.8
61.98837	6.7
69.06286	4.8
71.01374	2.6
85.02974	1.3
87.05170	0.7
89.02465	0.8
101.02422	1.6
104.85640	0.8
107.05128	0.7
108.02196	1.4
109.02975	1.7
113.02442	0.8
117.03546	0.7
119.05047	2.9
121.02950	2.9
123.04527	1.6
132.02214	0.8
133.02962	1.5
134.03769	2.3
135.04558	5.3
136.01674	13.9
137.02448	2.5
145.02931	1.4
146.03807	1.0
147.04494	1.0
150.03209	1.8
151.04013	14.6
159.04504	0.7
160.01625	2.1
160.05309	2.3
161.02455	3.0
161.06111	1.6
162.03209	1.1
163.04025	3.0
165.01881	0.7
165.05614	1.2
167.03563	0.7
172.05304	2.2
173.06030	2.1
174.03145	0.8
175.04045	3.3
175.07590	0.9
176.04781	1.2
177.02014	0.8
177.05606	0.8
178.02725	0.8
179.03510	3.1
187.04083	1.4
189.05566	4.1
190.06369	3.1
191.07095	1.2
193.05086	2.5
203.07178	0.8
203.34116	0.7
203.85086	0.7
210.64343	0.7
225.05656	1.0
238.06374	1.0
239.07225	1.1
240.04404	0.9
241.04887	0.7
253.05087	3.8
265.05170	2.1
266.05841	1.8
267.06387	1.0
268.03726	2.0
269.04556	10.6
279.06644	1.9
280.07428	2.3
281.04614	10.6
281.07767	1.4
282.05185	1.4
283.05942	1.2
284.06897	2.9
291.06732	0.9
293.08112	1.6
295.05972	1.4
296.06912	9.3
297.07437	1.6
298.08292	0.8
299.09241	4.5
307.06009	0.8
311.09256	7.8
313.10754	1.0
321.07648	1.3
323.09070	0.8
324.09964	0.8
335.09561	0.9
336.09973	2.6
337.09518	1.4
338.11517	0.9
339.12372	1.6
351.12543	1.6
373.14011	0.8
399.14447	1.3
427.11847	1.5
430.14154	0.9
431.64276	0.7
439.11789	1.1
442.14130	2.6
444.12198	0.9
445.16714	1.4
457.11865	0.9
457.17224	1.1
459.14902	0.9
471.14084	0.8
472.15552	3.3
473.15509	0.9
475.18130	5.6
476.19141	0.8
487.13980	6.3
487.18402	2.3
490.16257	2.5
499.17767	0.9
502.16342	7.2
505.18701	41.5
506.19113	2.6
517.18689	100.0
518.18945	7.2
535.19116	2.8
575.13885	2.2
667.23743	2.3
679.24036	1.8
697.25360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24363	0.6
56.30554	0.7
56.60435	0.6
58.26550	0.6
59.01385	3.8
61.98837	6.7
69.06286	4.8
71.01374	2.6
85.02974	1.3
87.05170	0.7
89.02465	0.8
101.02422	1.6
104.85640	0.8
107.05128	0.7
108.02196	1.4
109.02975	1.7
113.02442	0.8
117.03546	0.7
119.05047	2.9
121.02950	2.9
123.04527	1.6
132.02214	0.8
133.02962	1.5
134.03769	2.3
135.04558	5.3
136.01674	13.9
137.02448	2.5
145.02931	1.4
146.03807	1.0
147.04494	1.0
150.03209	1.8
151.04013	14.6
159.04504	0.7
160.01625	2.1
160.05309	2.3
161.02455	3.0
161.06111	1.6
162.03209	1.1
163.04025	3.0
165.01881	0.7
165.05614	1.2
167.03563	0.7
172.05304	2.2
173.06030	2.1
174.03145	0.8
175.04045	3.3
175.07590	0.9
176.04781	1.2
177.02014	0.8
177.05606	0.8
178.02725	0.8
179.03510	3.1
187.04083	1.4
189.05566	4.1
190.06369	3.1
191.07095	1.2
193.05086	2.5
203.07178	0.8
203.34116	0.7
203.85086	0.7
210.64343	0.7
225.05656	1.0
238.06374	1.0
239.07225	1.1
240.04404	0.9
241.04887	0.7
253.05087	3.8
265.05170	2.1
266.05841	1.8
267.06387	1.0
268.03726	2.0
269.04556	10.6
279.06644	1.9
280.07428	2.3
281.04614	10.6
281.07767	1.4
282.05185	1.4
283.05942	1.2
284.06897	2.9
291.06732	0.9
293.08112	1.6
295.05972	1.4
296.06912	9.3
297.07437	1.6
298.08292	0.8
299.09241	4.5
307.06009	0.8
311.09256	7.8
313.10754	1.0
321.07648	1.3
323.09070	0.8
324.09964	0.8
335.09561	0.9
336.09973	2.6
337.09518	1.4
338.11517	0.9
339.12372	1.6
351.12543	1.6
373.14011	0.8
399.14447	1.3
427.11847	1.5
430.14154	0.9
431.64276	0.7
439.11789	1.1
442.14130	2.6
444.12198	0.9
445.16714	1.4
457.11865	0.9
457.17224	1.1
459.14902	0.9
471.14084	0.8
472.15552	3.3
473.15509	0.9
475.18130	5.6
476.19141	0.8
487.13980	6.3
487.18402	2.3
490.16257	2.5
499.17767	0.9
502.16342	7.2
505.18701	41.5
506.19113	2.6
517.18689	100.0
518.18945	7.2
535.19116	2.8
575.13885	2.2
667.23743	2.3
679.24036	1.8
697.25360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03448	2.5
59.01384	47.2
61.98846	6.2
71.01391	26.7
72.99288	1.9
73.02962	10.8
75.00881	0.9
83.01385	6.0
85.02963	12.1
87.00878	3.7
88.98760	1.3
89.02020	0.9
89.02458	10.2
95.01375	2.6
99.00878	3.4
101.02450	22.6
111.00866	3.2
113.02467	11.5
116.92902	4.2
119.03474	3.1
121.02924	2.7
123.08202	1.9
125.02429	2.1
135.04532	2.2
139.46579	1.1
148.04031	1.5
150.03256	1.4
155.10770	1.6
159.02991	2.4
161.02406	1.6
161.04578	3.8
165.05667	1.4
171.13820	1.1
176.01144	1.2
179.03523	1.9
179.05557	1.3
191.03516	1.3
191.05522	2.5
195.06718	2.6
232.08572	1.0
255.02914	1.3
260.09314	1.2
275.99936	1.0
277.21741	2.9
285.03937	1.7
295.22876	1.5
439.26996	2.0
457.28076	2.5
467.02789	1.0
473.27206	2.1
475.28983	1.1
518.20441	1.3
535.31110	2.2
541.19849	1.1
604.77838	1.0
605.32361	4.6
619.33600	2.0
623.33148	1.7
637.34338	1.9
697.36560	100.0
698.36823	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	697.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03448	2.5
59.01384	47.2
61.98846	6.2
71.01391	26.7
72.99288	1.9
73.02962	10.8
75.00881	0.9
83.01385	6.0
85.02963	12.1
87.00878	3.7
88.98760	1.3
89.02020	0.9
89.02458	10.2
95.01375	2.6
99.00878	3.4
101.02450	22.6
111.00866	3.2
113.02467	11.5
116.92902	4.2
119.03474	3.1
121.02924	2.7
123.08202	1.9
125.02429	2.1
135.04532	2.2
139.46579	1.1
148.04031	1.5
150.03256	1.4
155.10770	1.6
159.02991	2.4
161.02406	1.6
161.04578	3.8
165.05667	1.4
171.13820	1.1
176.01144	1.2
179.03523	1.9
179.05557	1.3
191.03516	1.3
191.05522	2.5
195.06718	2.6
232.08572	1.0
255.02914	1.3
260.09314	1.2
275.99936	1.0
277.21741	2.9
285.03937	1.7
295.22876	1.5
439.26996	2.0
457.28076	2.5
467.02789	1.0
473.27206	2.1
475.28983	1.1
518.20441	1.3
535.31110	2.2
541.19849	1.1
604.77838	1.0
605.32361	4.6
619.33600	2.0
623.33148	1.7
637.34338	1.9
697.36560	100.0
698.36823	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	698.158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24112	1.2
57.03456	1.3
59.01391	6.3
59.87329	1.1
61.98837	15.8
64.37321	1.2
71.01379	1.5
71.41775	1.8
78.44392	1.1
89.02441	2.5
93.61577	1.2
113.02449	1.4
121.75220	1.2
134.06107	2.9
151.00374	3.6
157.53378	1.1
160.04033	1.3
163.00336	2.8
185.06238	1.3
188.04755	1.3
193.05220	1.4
199.04016	2.1
227.03336	2.0
243.02921	3.4
253.09836	1.5
254.02275	1.7
255.02969	3.6
271.02487	33.8
272.02917	1.9
283.26120	1.2
293.09354	2.8
295.10770	3.7
299.01996	77.0
300.02612	8.4
301.03534	38.6
301.06177	0.8
302.03906	2.2
307.10953	1.9
321.08978	1.7
362.40012	1.3
446.08606	19.4
447.09311	9.9
465.74139	1.4
489.10468	3.1
635.16217	100.0
636.16656	9.3
638.24438	1.7
666.23090	24.4
667.23645	2.2
698.25653	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	698.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	22.9
59.38729	0.8
61.98831	6.3
71.01395	11.2
71.43228	0.9
73.02957	1.7
80.05067	1.8
83.01403	1.1
85.02933	4.5
87.38569	0.9
89.02464	8.2
96.96023	1.1
101.02469	5.7
106.06625	2.6
108.04565	1.1
113.02468	4.0
115.04021	1.4
116.92863	1.2
119.03510	1.9
122.06161	1.0
132.04469	1.0
133.02869	1.0
134.06137	15.2
135.04527	1.5
136.07727	1.5
146.06090	1.4
152.07175	3.4
160.04073	2.0
161.02464	1.3
162.01967	1.0
174.05513	1.1
180.06699	3.8
188.07150	4.2
190.05067	1.3
191.05740	1.0
194.04654	2.0
224.09521	1.6
225.10338	2.8
227.11859	1.3
237.10356	1.1
238.07582	1.6
239.11835	1.5
249.10480	1.4
251.08270	3.4
251.11932	1.5
252.08937	2.5
253.09821	6.7
253.92513	0.9
255.02913	1.0
263.08133	1.2
264.09103	2.0
265.09766	2.8
267.11432	4.2
268.73242	0.9
277.09784	2.6
279.07776	3.7
279.11374	4.6
285.04117	1.9
292.08545	3.4
293.09235	7.0
294.10114	3.3
295.10916	9.7
305.09476	1.8
307.10931	10.3
321.08936	4.3
321.12170	1.1
333.08981	2.5
339.09808	3.9
351.09946	2.1
372.17017	1.2
414.18350	1.7
440.15765	2.5
442.17398	1.4
458.17419	2.4
468.15686	3.2
486.16849	1.9
504.18411	1.1
620.22375	2.4
622.23920	1.7
638.23303	3.2
648.21735	2.9
666.23108	100.0
667.23206	5.7
698.25519	22.4
698.36511	4.5
699.26215	1.7
728.16278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11340	0.6
59.01286	16.1
59.01622	3.1
61.98731	3.0
64.22990	0.5
69.33195	0.5
69.59428	1.9
69.84265	0.6
71.01279	7.2
71.01703	0.9
73.02856	1.4
80.04958	1.8
80.70313	0.6
83.01334	1.1
85.02843	2.0
87.00783	0.6
89.02328	6.0
94.33458	0.6
95.01313	1.2
95.60895	0.5
96.31316	0.5
101.02428	5.1
104.04947	1.0
106.06516	2.4
106.46959	0.6
108.04510	1.2
113.02312	3.2
116.92773	0.8
119.03385	1.5
119.04878	2.4
121.02851	0.7
122.06017	1.0
125.02335	1.1
131.03423	0.8
131.58159	0.6
132.04417	1.7
134.03566	2.0
134.06136	13.8
135.04407	1.4
136.07561	1.4
137.02289	0.6
146.05972	1.7
150.03157	0.8
152.07193	3.5
161.02307	0.8
163.03902	1.1
165.05397	0.8
167.03456	1.1
174.05583	1.0
175.03802	0.7
178.02492	1.1
180.06461	2.5
186.05557	0.6
188.07210	5.5
193.04903	2.2
210.07704	0.7
211.08604	1.5
223.12460	0.6
224.09328	1.0
225.10097	2.6
227.11646	1.9
235.08749	0.7
237.10208	0.8
239.08217	1.1
239.11674	2.1
249.10170	1.3
250.07329	0.7
251.08206	3.8
251.11972	2.8
252.08794	2.4
253.09816	7.1
254.10272	0.8
263.08185	1.9
263.11533	0.6
264.08884	2.0
265.09824	3.1
266.10370	1.2
267.11395	3.7
268.11685	0.6
269.04425	1.2
277.09665	3.2
278.06848	0.9
279.07526	4.7
279.10699	4.3
280.08459	0.6
280.11533	0.6
291.07568	0.8
292.08554	3.7
293.09341	6.6
294.10141	3.3
295.10849	11.0
296.11258	0.6
305.09409	2.9
307.07819	0.8
307.10873	10.1
321.08768	5.4
323.10397	1.1
333.08646	2.2
339.09851	3.8
351.09546	2.4
355.29797	0.6
372.17325	1.0
400.16525	0.7
412.16232	0.7
414.18179	1.0
440.15918	2.1
458.16916	1.8
468.15512	2.6
486.16721	1.4
536.19647	0.7
537.19556	1.5
562.25507	0.6
620.22620	2.7
622.23865	1.7
638.23743	3.7
648.21771	1.9
662.38434	0.7
666.23065	100.0
667.23340	6.9
698.25665	23.2
698.36682	1.5
699.25378	2.1
729.04895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37861	0.8
59.01383	10.5
60.82876	0.9
61.98840	5.5
63.71404	0.9
68.91441	0.9
69.54189	3.3
69.54561	1.7
71.01381	7.3
72.01719	0.9
84.95095	1.0
85.02943	1.7
89.02460	6.2
91.04011	1.0
93.03472	1.1
93.19379	0.9
101.02451	3.8
108.02200	5.2
109.02926	1.7
112.98842	1.3
113.02467	2.9
116.92841	1.3
119.03512	2.3
121.02966	2.5
123.04526	2.8
131.03615	1.0
133.02969	1.3
134.03792	1.3
135.04529	2.1
136.01675	1.6
145.02946	1.0
150.03194	2.0
151.04044	1.4
159.04521	1.9
161.02467	3.3
179.03409	2.1
179.05653	1.3
191.05681	0.9
235.46230	1.0
249.05589	1.0
261.05707	1.3
265.05145	1.1
266.05893	1.1
277.05072	1.9
279.06744	2.6
280.07669	1.5
282.09085	1.0
285.04059	1.6
289.05106	1.1
295.09772	1.4
296.10526	3.0
297.11276	4.0
309.11279	1.6
310.08582	1.9
323.09164	1.6
324.10019	7.0
325.10864	22.1
326.11035	1.4
337.10590	1.7
339.12347	15.1
340.13177	15.9
341.13516	1.0
353.10104	1.3
368.12704	8.8
372.11917	1.8
381.13455	1.0
383.15073	21.3
395.14899	1.2
441.13535	1.2
444.11920	1.1
459.14810	5.3
471.14465	5.3
472.14587	0.9
474.16855	3.9
476.18384	2.4
486.16653	2.0
489.19250	18.0
491.20865	1.2
501.19391	7.9
503.16586	1.3
507.19327	2.0
519.20258	100.0
520.20563	11.6
681.25592	1.2
699.36426	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	699.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47783	1.1
59.01388	12.8
61.71980	1.2
61.98843	6.2
69.15406	8.9
71.01380	8.9
73.02933	2.6
82.95439	1.4
85.02958	2.0
85.37891	1.1
87.00903	2.3
89.02461	4.9
90.37411	1.4
93.03468	1.9
95.01423	1.3
96.96009	2.9
99.87717	1.4
101.02467	3.9
108.02193	1.7
109.02985	1.7
113.02437	1.7
116.92885	1.3
117.70136	1.2
119.03481	1.7
121.02968	5.2
123.04499	2.3
133.02948	1.4
134.03725	1.6
135.04520	6.7
137.02457	3.0
146.03709	2.5
147.04532	6.8
149.02480	1.9
150.03188	2.5
151.03990	1.7
158.03729	4.4
159.04527	11.1
160.05283	22.0
161.02451	2.1
161.04837	1.9
161.06067	11.3
163.04033	3.0
164.04803	3.6
165.05516	1.4
173.06105	5.4
175.07648	17.2
176.04816	2.4
177.01920	1.7
177.05608	6.3
178.06390	10.9
179.03476	2.3
190.05022	1.7
191.05653	3.0
192.07959	6.2
193.05081	1.9
207.73909	1.4
210.06706	1.3
221.19081	3.0
225.05659	1.6
227.07135	1.8
237.05606	2.9
238.06323	4.7
239.07208	4.0
249.05724	2.2
253.04965	3.2
254.05849	4.9
255.06676	4.3
265.05066	1.7
265.08643	2.2
265.18057	2.2
266.05789	11.6
267.06631	18.0
268.07281	3.6
269.08197	22.2
270.08954	6.3
281.08215	29.2
282.08954	10.2
283.09677	3.9
283.19156	3.5
284.10519	5.3
285.11200	2.2
296.06662	1.9
296.10516	3.7
301.20404	8.0
302.07950	2.5
314.07843	2.0
316.09421	3.7
337.44901	1.3
371.14911	1.8
398.79550	1.3
429.13403	3.5
432.15634	3.2
434.17014	1.3
444.15860	9.2
447.18234	9.0
448.18018	1.6
459.18771	6.8
462.17056	2.3
474.16763	6.9
475.16913	1.5
477.19229	77.9
478.19580	6.4
489.19244	100.0
490.19479	11.9
507.20294	50.4
508.20520	5.6
519.20313	41.7
519.31616	1.9
520.20673	4.4
537.21259	4.0
537.33209	8.6
567.30182	13.8
667.23120	2.2
699.37244	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	699.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	7.9
59.78387	1.2
61.98831	3.7
69.37292	4.9
71.01392	5.9
87.00909	1.8
89.02473	2.7
93.03432	1.5
96.96007	3.2
98.22565	2.5
101.02465	4.2
113.02479	2.1
119.03466	1.3
121.02952	4.2
122.03772	1.3
123.00919	1.6
134.03780	1.4
135.04544	4.2
137.02469	2.4
143.04999	1.4
146.03758	1.9
147.04561	7.9
149.02505	2.3
150.03206	2.6
158.03764	3.9
159.04546	11.1
160.05318	20.0
161.02461	1.8
161.06097	10.0
163.04005	4.3
164.04836	4.0
173.06177	5.4
174.06821	1.5
175.07628	14.3
176.04758	1.7
177.01962	2.1
177.05615	4.8
178.02824	1.7
178.06369	8.7
179.03529	2.1
179.05644	1.4
192.07933	6.5
193.05107	1.6
221.19145	2.3
225.05518	1.4
237.05531	2.4
238.06377	3.2
239.07176	3.1
241.08896	1.2
251.07124	1.3
253.05116	1.6
254.05853	7.0
255.06674	5.1
265.08548	1.4
266.05746	8.6
267.06650	14.1
268.07303	2.7
269.08209	16.3
270.08960	5.3
281.08267	25.2
282.08972	9.9
283.09811	2.6
283.19135	1.8
284.10629	7.3
285.04221	1.6
293.08456	1.5
296.10559	2.4
301.20224	3.0
302.07892	2.2
311.27206	1.1
314.07968	3.2
316.09479	3.4
371.14871	2.5
429.13309	4.1
429.27176	1.2
432.15848	4.9
444.15839	9.3
447.18326	9.1
459.18640	5.7
462.16776	2.3
474.16730	4.1
477.19257	74.0
478.19608	7.4
489.19269	100.0
490.19693	8.8
507.20264	47.9
508.20697	4.5
519.20288	39.7
520.20618	3.9
537.21295	5.8
537.32996	6.1
567.30377	7.1
638.01019	1.2
699.37701	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	700.227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.2
62.55671	1.6
67.91331	1.6
70.20103	1.4
70.49171	2.4
70.49495	2.6
71.01391	4.8
77.91356	1.6
77.91778	1.9
78.91216	1.5
78.95889	2.4
79.13615	1.8
89.02424	3.0
101.02480	3.9
119.03518	1.9
201.11440	3.4
255.23303	11.6
256.23587	2.3
375.00543	1.8
397.13440	14.8
398.13947	2.9
415.14511	2.9
496.13947	5.8
497.14667	1.9
510.15753	2.0
511.16275	2.8
544.15765	2.4
571.18311	5.8
598.20532	4.2
657.21729	9.9
658.21967	1.8
700.22620	100.0
701.22510	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	700.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.5
59.01126	3.2
59.01384	41.8
61.98547	3.3
61.98835	36.5
69.03432	5.1
71.01388	40.5
72.99320	12.9
73.02941	10.8
81.82426	2.4
85.02945	10.0
87.00858	2.8
87.46132	2.4
89.02459	45.1
95.01426	2.4
96.88969	2.5
96.95977	3.1
97.02966	6.1
99.00894	32.2
101.02444	16.0
101.06091	93.2
108.02148	4.9
109.02939	5.6
113.02493	12.0
116.05015	3.1
116.38670	2.4
119.03444	3.1
121.02919	4.8
123.04517	3.7
125.02478	19.5
130.06644	12.8
130.55035	2.4
131.03613	8.0
134.03755	7.6
135.04514	10.2
137.02455	3.4
142.06604	4.0
144.04539	14.5
146.06134	75.1
149.04539	8.5
150.03273	4.3
151.04016	4.7
156.08185	8.2
158.06102	9.3
160.07671	7.0
161.02432	5.9
167.03493	5.0
170.06035	3.2
172.07654	2.4
174.09221	6.8
177.01921	3.7
179.03522	6.1
182.06146	3.3
184.07773	3.2
186.05614	3.3
186.09296	3.9
188.07185	14.3
190.05115	6.4
191.05582	12.7
193.05087	5.2
200.07193	10.5
202.08714	3.8
210.09082	2.6
213.88997	2.7
218.08194	6.8
230.08226	7.4
254.08328	9.5
272.09262	10.4
301.12289	2.4
303.05096	4.5
364.80774	2.6
404.13605	4.4
408.77319	2.3
422.14554	7.8
430.06393	2.6
440.15494	8.2
538.20087	3.9
554.18665	44.8
572.19891	22.0
598.17749	21.8
656.25842	4.6
700.24609	100.0
701.25018	6.6
712.22888	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.4
59.01383	29.9
63.83574	0.8
69.03464	5.0
70.96578	1.2
70.96931	1.1
71.01388	23.5
73.02956	3.3
74.95631	0.9
83.01404	1.8
83.05031	18.3
85.02956	7.6
87.00887	3.5
87.04510	1.4
89.02452	21.4
93.03475	3.1
95.01402	1.6
99.04526	1.0
101.02450	23.6
103.77180	1.0
109.02921	1.1
111.00871	2.0
111.04533	19.9
112.01691	2.6
113.02457	24.0
119.03526	12.8
119.05010	5.9
120.05348	1.3
123.04533	2.5
129.01959	1.3
131.03519	10.5
133.05084	1.5
137.02466	6.1
141.05592	1.0
143.03552	1.8
149.02383	1.5
150.03249	2.5
155.03523	7.0
161.04601	5.5
163.04051	4.2
164.04381	1.7
165.05597	9.9
167.03557	1.7
173.04559	0.9
179.03966	1.7
179.05623	12.2
184.42207	0.8
185.04584	1.3
215.05521	1.2
231.94696	0.9
275.07748	27.2
293.08807	100.0
294.09213	2.0
317.08792	61.6
318.09177	1.5
327.10617	1.0
329.08490	1.6
335.09909	5.5
347.09848	22.2
359.09998	1.4
365.10757	6.4
377.10925	14.0
389.10791	2.2
395.11926	16.2
407.07086	1.5
407.12027	18.6
431.11969	9.6
437.12885	1.6
455.14120	2.7
491.19162	3.6
534.38501	0.9
539.21234	2.8
701.16956	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	701.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
61.98825	4.5
69.76341	2.7
71.01395	1.8
79.95706	0.8
87.37154	0.8
88.65076	0.9
88.98788	1.5
89.02435	1.5
93.03471	1.3
96.96025	6.6
98.21865	1.1
101.02489	1.1
105.02050	1.0
108.02182	37.0
109.02991	1.7
121.02995	5.6
122.03735	3.5
123.04534	17.7
125.02422	3.0
132.02188	2.2
133.02977	3.4
134.03731	7.8
135.04550	6.1
136.01720	1.7
137.02448	1.1
147.04535	2.9
149.02448	4.8
149.06122	2.6
150.03238	16.1
151.00359	0.9
151.04019	5.7
152.01163	74.2
153.01472	1.3
160.01675	10.4
161.02478	6.7
164.04887	1.1
165.05598	14.9
166.02699	4.8
167.03506	100.0
168.03893	2.0
175.04010	14.2
177.01880	1.6
178.02794	1.3
179.03491	4.1
180.04291	1.5
181.05090	8.8
182.05415	0.9
193.05070	8.8
195.06656	3.1
235.06050	5.0
254.05861	1.7
266.05902	1.1
267.06610	1.1
282.08911	2.3
294.08932	1.3
295.09940	1.9
299.38617	1.0
323.07675	3.4
325.11032	1.1
327.08823	1.1
337.09348	18.0
341.10272	3.5
371.11182	1.0
389.12735	1.3
431.13492	1.3
449.15955	2.2
463.17276	1.2
471.13144	1.4
475.18051	1.1
485.14243	1.3
494.19470	3.8
504.13004	1.1
505.13226	8.2
506.19873	2.1
509.21765	25.4
519.14594	2.3
521.21851	22.9
533.16870	3.7
539.22034	1.2
559.14392	2.6
653.18500	1.8
671.26569	1.3
701.20721	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	701.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42483	1.1
59.01390	6.6
60.50572	1.0
60.99306	2.6
61.98831	3.1
67.01894	12.4
69.03460	3.0
69.98537	2.4
71.01395	5.4
73.02955	1.5
80.91691	1.9
81.03464	1.9
83.05012	2.0
85.02954	9.5
85.06602	14.3
87.00884	13.5
89.02494	1.3
93.03471	71.7
98.22575	1.8
99.00914	2.0
101.02436	1.6
109.02923	1.5
111.04527	10.0
113.02464	2.0
113.06102	8.6
115.04041	9.7
127.04033	1.8
129.01947	2.2
133.02965	2.2
134.03760	35.4
135.04532	4.4
137.02480	2.3
139.04039	1.5
149.06071	9.4
155.03534	3.0
157.04961	1.1
160.01700	1.5
161.02429	2.4
161.61717	1.1
162.37305	1.1
173.04567	19.1
175.03976	1.3
178.02754	12.1
179.03532	3.8
189.07690	2.0
191.05629	100.0
192.04156	1.4
192.05896	1.6
193.05084	28.7
207.06656	1.4
214.46274	1.1
230.99460	1.1
285.03973	4.4
355.10510	1.3
367.10318	13.4
368.10718	1.2
381.11945	24.7
409.11533	1.5
511.14536	7.7
529.15759	3.7
571.16400	3.8
619.16565	2.6
657.89844	1.4
701.23047	72.2
701.35077	3.2
702.23260	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	701.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24393	2.4
50.72168	2.0
59.01382	12.1
59.07225	2.0
59.17623	2.5
59.44821	2.2
61.98829	6.8
68.99807	2.5
69.85409	3.1
69.85754	6.8
71.01397	12.0
73.02961	2.1
83.01373	3.6
85.02962	3.7
89.02464	3.1
93.03445	2.9
95.01399	2.5
96.62851	2.1
99.63241	1.9
101.02428	4.9
109.02975	4.2
111.00918	2.8
113.02448	3.2
121.02955	16.9
123.00906	13.6
127.00411	3.3
133.02951	3.9
135.04568	6.8
137.02504	17.6
137.06105	2.6
138.03224	6.3
139.03964	2.4
153.05608	10.9
155.03508	3.5
159.04453	3.9
160.05295	9.3
161.02480	2.7
161.06096	2.9
164.04779	2.3
166.06363	5.1
166.99849	5.4
168.00685	2.8
173.06032	3.2
175.07671	9.4
177.05502	2.9
178.06418	3.1
179.03497	4.5
181.01416	9.3
182.02200	15.6
183.03011	12.6
188.47287	2.6
191.05592	3.1
192.07951	2.3
197.04562	33.5
212.85110	2.3
217.45709	2.2
225.04019	2.4
269.08096	12.7
283.09738	4.9
299.09293	9.2
311.04041	2.7
311.09174	11.5
314.11642	18.2
315.12375	7.7
326.06396	8.6
326.11493	9.7
327.12344	4.9
329.13986	36.9
330.14249	3.4
341.08731	70.6
341.13632	12.7
342.09137	2.6
451.14005	2.7
453.29245	2.2
671.26227	3.1
701.24548	100.0
701.36682	5.4
701.47070	4.5
702.24744	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	701.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.85774	0.6
99.22536	0.5
114.43388	0.5
129.92828	0.5
132.75624	0.6
171.39796	0.6
185.49158	0.5
437.12415	1.0
438.13434	5.7
439.13766	1.1
451.14072	1.3
452.15164	3.1
453.15540	0.8
467.13550	0.7
479.13739	0.7
480.14310	1.6
481.15231	33.8
482.15631	5.9
495.16794	13.0
496.17026	2.0
497.18457	6.2
498.19012	0.6
514.15076	1.9
523.16376	1.1
525.14441	1.2
539.15625	1.8
540.16516	15.9
541.16443	1.8
553.17230	0.7
554.18256	5.6
555.18884	62.9
556.19043	8.7
567.18719	0.7
572.15491	11.2
573.15942	0.7
586.17273	4.9
609.20319	1.2
623.17444	0.6
627.21021	1.7
641.22583	28.0
642.23065	3.4
701.24695	60.0
702.25183	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	701.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66630	2.8
59.01385	100.0
61.98835	7.0
71.01392	51.9
73.02945	5.2
83.01395	6.2
85.02947	18.6
87.00893	4.4
89.02451	62.0
95.01396	5.0
96.96028	4.9
101.02465	26.5
113.02457	26.4
119.03504	19.1
120.01275	8.0
124.71719	2.8
133.02988	3.4
135.04546	3.2
143.03493	4.1
149.02441	8.3
149.04549	3.8
150.03273	4.9
161.04588	8.0
162.03203	9.3
163.50972	3.1
177.05667	5.1
179.05641	22.6
191.05630	7.0
263.03336	4.2
329.13901	8.1
335.01987	15.2
343.14197	5.8
445.62140	3.2
491.19299	68.6
492.19553	4.9
521.20807	4.8
539.21271	4.1
653.24768	4.6
701.13000	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	701.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46846	1.1
59.01387	17.2
69.17879	6.5
71.01389	11.4
73.02953	5.0
77.15582	1.1
83.01388	4.2
85.02958	6.0
86.00072	1.1
89.02469	3.6
93.03429	4.0
99.00903	2.7
101.02460	12.8
108.02185	1.2
111.00924	1.1
113.02428	6.7
121.02966	4.3
122.03772	10.9
133.02991	5.6
134.03737	2.2
135.04541	2.5
149.02455	22.7
149.06163	1.5
149.45036	1.3
150.03252	86.8
151.03740	1.3
164.04836	5.9
165.05589	89.8
166.06345	5.8
180.04294	6.0
181.08688	8.2
191.05721	1.9
195.06657	37.0
197.04562	1.6
200.29953	1.1
283.09848	1.3
314.11578	3.2
329.13943	14.8
343.14047	16.9
352.98489	1.1
375.81903	1.3
424.23233	1.7
475.22305	1.3
483.02380	1.1
491.19287	100.0
492.19528	7.2
521.20270	1.3
523.51813	1.3
539.21393	85.5
540.21710	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	701.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67619	0.6
55.01872	2.1
57.03458	1.6
59.01385	21.3
61.98805	0.7
69.03457	0.6
70.11315	1.7
71.01389	18.0
72.60244	0.6
72.99315	0.7
73.02957	6.8
83.01406	5.4
85.02951	10.0
86.00120	0.9
87.00874	1.9
89.02463	5.3
93.03471	1.8
95.01395	2.0
95.05099	0.7
99.00881	2.9
101.02453	18.2
102.02731	0.7
108.02209	0.9
113.02465	7.6
116.92905	0.8
119.03516	1.9
121.02988	4.3
122.03756	5.8
129.01947	0.9
132.02206	1.2
133.02983	7.0
134.03821	1.4
135.04543	1.6
138.11940	0.7
142.66273	0.7
143.03529	0.8
147.04532	1.6
149.02455	30.7
149.06081	3.4
150.03238	42.6
159.03061	1.0
162.03210	1.7
164.04791	6.8
165.05582	35.0
166.06367	6.0
167.07127	1.6
178.56798	0.7
179.05728	0.9
180.04248	2.6
181.08704	7.6
191.05588	1.7
195.06615	8.2
197.04596	0.7
206.83551	0.7
314.11707	6.7
315.12329	2.0
329.13947	19.1
343.14035	11.7
357.15555	1.1
364.36383	0.8
476.17221	1.0
491.19287	91.2
492.19656	6.2
539.21381	100.0
540.21692	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	701.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.3
61.98816	4.7
69.03456	4.9
69.39451	11.0
71.01389	5.1
71.05012	2.5
83.93954	2.4
85.02947	2.2
87.82806	1.9
89.02444	3.8
101.02454	6.3
106.54269	1.9
125.09733	2.6
136.01642	3.0
150.78201	2.0
151.04021	3.0
151.62381	2.0
153.12846	2.0
154.49854	1.9
155.10788	3.3
179.10838	4.9
197.11845	91.7
199.09726	3.7
241.10971	4.8
343.47336	2.4
539.25183	2.4
701.30396	100.0
702.30328	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	702.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	80.4
61.98818	3.2
62.11197	1.6
62.68720	1.8
69.03477	1.7
69.23484	10.2
71.01389	38.4
73.02942	2.0
85.02966	8.2
89.01939	2.8
89.02457	33.6
95.01392	3.3
101.02454	23.9
106.06634	5.8
108.02212	2.0
109.02959	4.0
111.50640	2.3
112.04056	2.5
113.02464	13.5
113.06097	4.6
115.03978	2.2
116.05074	8.4
119.03506	12.0
122.06139	4.6
123.03300	5.1
124.03986	4.0
125.81013	1.5
130.05116	1.8
132.04536	5.8
134.06133	78.5
135.04514	4.8
135.06415	2.2
137.02565	1.9
138.05627	16.8
146.02559	1.6
147.03275	8.2
147.04468	3.5
148.04001	2.2
148.07504	1.5
152.07181	7.0
157.77043	1.6
158.02477	5.1
160.04050	36.9
161.02483	4.1
161.04866	1.9
162.05608	7.3
164.07152	3.3
165.05566	1.9
172.04091	2.3
176.07190	2.3
179.03481	2.1
184.06129	2.3
190.05115	17.8
191.05560	3.9
192.06673	100.0
193.07007	4.0
204.06654	6.7
206.04622	2.9
220.06145	4.1
220.98245	1.5
228.10007	2.0
248.05650	3.6
255.11401	6.0
264.85278	1.5
267.11404	4.7
281.09259	7.1
284.03183	2.5
285.04105	10.0
286.04477	3.5
293.09430	3.7
307.10953	10.1
311.14084	4.0
311.63156	1.7
314.12430	6.7
337.11969	2.1
339.04987	2.1
339.13535	31.4
368.09949	2.1
378.53687	1.8
382.11392	3.2
487.17276	46.0
517.18127	7.5
519.19891	85.8
520.20294	6.7
572.16302	12.2
608.22632	8.4
626.23553	31.2
627.23657	3.8
640.25067	2.9
652.22144	2.9
670.22699	20.7
671.22449	3.2
684.23712	11.7
702.25208	29.8
702.39099	2.9
703.25415	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	702.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89482	1.6
57.39494	1.9
59.01385	57.4
61.98838	8.5
61.99115	1.7
69.21172	10.6
71.01392	23.7
73.02960	2.2
83.01376	2.0
85.02962	4.9
85.71649	1.5
87.00877	1.7
89.02465	19.5
95.01385	2.6
101.02478	16.0
106.06636	4.9
112.04028	3.7
113.02447	9.5
116.05053	8.1
119.03508	5.9
122.06090	3.8
123.03247	4.2
124.04059	3.0
132.04524	4.1
134.06143	61.9
135.04636	2.3
135.06403	1.6
138.05643	14.7
139.15582	1.9
152.07198	6.7
158.02475	4.9
160.04063	25.2
161.02434	3.7
164.07155	5.8
179.03473	2.4
190.05090	15.9
191.05635	3.2
192.06691	83.9
198.40083	2.0
200.27824	1.7
203.54518	1.5
204.06635	7.0
204.52597	1.7
255.11395	4.4
281.09180	4.9
285.04114	2.7
299.27698	2.0
307.10822	5.1
311.13834	2.4
314.12439	4.6
332.89688	2.1
337.11829	2.3
339.13577	29.8
350.93958	1.7
487.17264	22.4
488.17691	2.2
517.18097	6.1
519.19843	100.0
520.20166	5.7
582.24622	2.3
608.22095	5.2
626.13995	2.3
626.23596	24.5
627.23126	2.1
630.23364	2.2
640.25189	2.9
652.20953	2.0
670.22601	26.3
671.22961	3.2
684.24548	6.3
702.25214	38.4
703.25629	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	703.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05923	3.2
55.30856	2.5
56.28137	2.9
57.03429	3.6
58.00595	2.8
59.01385	23.0
60.66657	2.6
61.98835	47.0
69.03449	3.5
69.11090	18.3
71.01386	14.6
73.02936	7.7
77.12086	2.8
81.03512	3.0
85.02955	11.0
87.00883	6.9
87.04520	31.9
89.02438	5.4
96.95989	4.4
97.02959	5.8
98.22688	5.5
99.04513	3.1
101.02454	10.9
109.06629	3.4
111.04575	2.5
113.02463	7.0
116.92858	4.4
121.02966	11.7
122.03855	2.8
135.08199	4.6
136.01588	2.9
137.06030	2.8
137.09772	23.7
139.07637	5.1
139.11223	3.6
149.09607	3.7
151.04005	3.6
155.10796	99.7
159.04449	3.0
169.12338	7.5
177.09236	3.7
179.10788	9.5
181.08754	6.7
191.10802	5.6
193.12486	3.3
195.10245	5.1
197.11934	4.5
199.09779	98.9
225.11411	4.0
241.08806	4.0
241.10855	28.0
253.10843	7.6
255.10001	3.2
255.12396	6.0
269.08279	25.4
271.09653	2.9
281.08170	5.3
283.09628	9.6
283.12167	45.2
284.12241	3.9
298.12100	4.4
299.09317	16.8
311.09296	26.1
314.11597	44.9
315.12357	8.3
326.11539	26.8
327.12097	4.3
329.13956	100.0
329.17896	5.1
330.14203	3.9
341.10037	4.1
341.13937	56.7
343.14093	29.3
467.45273	3.5
667.39142	18.1
703.29193	48.5
704.29340	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	703.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	10.8
61.50419	1.4
61.98840	8.0
69.03451	1.9
70.65290	2.2
71.01382	5.5
71.05016	2.7
73.02955	3.0
80.81618	1.5
83.01399	1.8
85.02952	1.9
89.02441	2.2
97.02962	4.8
97.06614	2.3
99.00883	16.2
101.02450	4.0
101.30823	1.5
125.09745	8.7
163.11327	10.4
179.10826	4.8
181.12369	12.4
197.11864	47.1
199.09798	2.1
199.13391	4.8
207.10286	19.0
225.11353	26.3
243.12386	10.5
285.04193	2.2
300.06018	1.6
329.14169	1.9
479.21219	2.8
659.33258	3.1
685.31366	1.8
703.31848	100.0
704.31653	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	703.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62860	13.6
59.01379	25.6
60.88153	13.4
61.98844	73.0
62.90965	13.4
63.78511	13.3
65.29170	13.9
71.01373	27.7
78.95911	23.7
85.06409	16.2
89.02480	27.9
98.22620	41.7
138.84879	13.9
226.59770	14.4
269.24921	75.5
397.13708	100.0
415.14420	19.2
525.61713	15.7
703.36676	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58830	54.3
61.98841	61.8
67.19558	50.9
68.18906	54.4
72.37991	54.7
73.73120	49.2
75.97023	46.4
88.75775	53.1
116.92863	100.0
131.33261	54.7
160.19809	58.0
251.31398	54.9
289.45297	58.5
295.99493	56.8
508.56854	50.7
616.79614	70.9
702.02216	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	703.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66512	86.7
65.71059	76.5
67.85315	79.2
71.21458	100.0
74.69590	80.9
77.89568	77.5
81.88788	92.4
82.67522	78.6
84.22044	67.7
101.58216	80.7
106.52068	72.1
166.60423	79.9
304.13904	82.4
391.61353	81.7
399.83240	97.2
418.88895	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	41.9
69.35678	2.7
72.99315	4.3
91.59888	0.5
96.96009	0.6
103.05557	1.7
117.08639	0.6
119.05042	5.9
130.05367	0.6
135.04529	1.7
147.04544	100.0
148.04880	1.7
165.05589	84.3
166.05927	1.9
207.06651	55.5
208.06996	2.0
282.48972	0.6
371.38272	0.6
448.68930	0.5
593.73798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01401	0.1
59.01386	3.0
60.01698	0.2
61.98833	100.0
96.96099	0.2
125.92944	0.2
147.03033	0.1
150.28510	0.2
154.32817	0.2
440.13376	0.2
483.15411	0.4
484.15747	0.7
498.17603	0.3
542.16962	0.3
556.18866	0.3
557.19025	1.1
558.19025	1.3
574.16577	0.2
575.15662	0.2
588.17847	0.2
643.22845	0.3
644.23358	0.8
703.25623	0.4
704.24066	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	704.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.0
59.27385	0.3
61.98821	0.8
71.01384	1.7
73.02946	0.6
73.61324	0.3
85.02928	0.4
89.02440	1.3
96.95989	0.5
101.02434	0.5
104.95949	0.3
105.07134	0.4
113.02481	0.4
116.92860	0.4
117.07127	0.8
119.05039	0.6
125.02434	0.8
127.61607	0.3
129.07097	0.4
130.04243	1.1
131.05020	1.5
132.09709	0.3
133.90460	0.3
135.04535	0.4
141.07123	5.7
143.05034	1.3
146.06140	0.5
147.04480	0.5
148.05338	0.6
154.01482	0.6
156.08206	2.9
157.06602	2.9
159.08180	9.4
160.04071	0.4
174.09273	0.9
184.07668	1.4
185.06056	1.5
186.05551	0.3
191.05681	0.3
202.08746	9.0
203.07162	2.0
203.08821	0.5
233.06657	0.8
246.07724	100.0
247.08084	2.4
264.10123	0.3
293.08752	2.2
418.59775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12369	1.1
59.01388	4.9
60.99309	2.7
67.01897	8.1
69.09573	6.0
69.09982	1.9
71.01389	2.9
77.03989	1.6
85.02950	6.4
87.00869	7.2
89.02466	2.0
93.03470	38.3
95.05017	3.0
96.96035	2.6
97.82890	1.3
105.03471	9.0
107.05045	4.0
109.02976	9.6
111.04525	8.0
113.02469	1.4
123.04525	2.9
127.04001	2.3
131.07141	1.4
133.02968	61.2
134.03500	2.3
135.04552	22.4
137.02449	1.4
150.03259	2.4
155.03528	2.2
155.22043	1.3
161.02481	2.3
161.08131	1.4
173.04564	43.5
177.01945	26.4
178.02602	1.7
179.03502	10.9
191.05627	100.0
192.05978	1.7
215.05630	40.6
216.05917	1.8
262.72382	1.1
292.47910	1.4
295.06097	1.6
307.08237	4.7
321.04059	3.9
339.05252	3.2
348.29657	1.4
351.07239	90.9
352.07562	4.4
353.08826	11.9
513.10364	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	705.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35691	1.9
56.44617	2.4
56.50312	2.0
57.03441	2.5
59.01382	14.4
69.27404	6.3
69.27818	7.7
70.76031	2.5
71.01385	15.4
72.99292	3.1
73.02938	6.7
83.01382	4.6
84.51017	2.0
85.02966	15.0
85.06590	5.2
87.00887	51.5
89.02443	4.3
93.03446	4.3
95.01389	3.9
96.96023	43.3
98.83856	2.7
99.00891	27.2
101.02446	6.6
108.02178	4.7
109.02946	3.5
109.49142	2.5
111.00849	12.0
111.04502	4.2
112.98836	26.5
113.02454	3.2
113.06096	12.0
115.00377	6.7
115.04005	10.6
121.02954	3.3
123.00877	8.6
123.04529	5.4
127.03931	4.2
129.01938	6.1
134.03781	14.8
135.04515	7.5
136.01657	9.0
139.03995	7.4
142.99886	26.8
145.01419	8.6
146.03752	28.4
147.04526	3.5
148.05327	12.1
149.06078	16.1
151.04005	10.4
159.04512	4.9
160.01602	3.0
160.05292	5.7
161.02469	11.6
161.06026	6.8
162.03232	5.2
163.07625	10.0
164.04788	13.5
168.44380	2.6
173.00932	95.0
174.01753	15.8
175.04018	9.9
176.04787	13.0
177.05553	3.2
179.03571	3.7
179.05644	3.3
179.07127	20.4
186.62184	2.7
188.04803	4.0
189.24298	2.5
190.05086	12.0
191.03963	4.2
191.05630	66.2
191.07173	8.0
203.03564	3.6
203.07008	2.5
204.04247	8.4
209.30823	2.7
215.03506	3.4
217.05145	2.7
219.06618	10.0
220.03918	2.9
231.02884	3.9
231.06595	2.9
232.03801	15.3
235.06174	15.3
246.05368	3.9
247.06136	47.0
249.07652	2.7
261.07715	5.6
285.04019	5.0
295.08267	3.2
302.57535	2.4
307.08282	34.3
339.05002	3.6
345.31769	2.7
353.08740	20.9
431.09558	2.6
445.89127	2.3
477.17584	3.5
489.17609	4.2
513.11035	5.6
561.33234	2.5
673.20508	4.3
705.22455	100.0
706.21027	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	705.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04818	0.9
55.01877	1.6
57.03444	2.0
59.01386	11.7
61.98832	6.7
71.01390	6.9
71.05022	3.4
72.99326	1.1
73.02945	2.4
81.03434	1.0
83.01384	1.6
83.05029	1.3
85.02960	2.6
87.00885	2.4
89.02456	4.7
93.03475	1.0
95.05050	1.1
96.96008	1.3
97.02973	5.1
97.06599	2.5
99.00888	22.4
101.02435	6.5
109.06559	1.5
110.03759	1.6
113.02449	3.8
116.92820	1.8
119.03551	1.0
123.08154	1.8
125.09736	7.1
131.03464	0.8
133.03018	0.9
135.04546	1.1
137.09708	1.0
151.04025	1.5
155.10696	0.9
160.04160	1.1
161.02434	0.8
161.04546	2.1
163.04449	0.8
163.11304	11.3
171.10240	0.9
179.05533	1.1
179.10840	1.4
181.12373	18.3
197.11774	7.7
199.13397	10.5
201.11356	3.3
207.10283	30.1
208.10452	1.0
209.11812	3.3
225.11346	49.9
234.35016	0.9
235.08182	1.1
243.12390	27.8
244.12752	1.0
258.18942	1.1
263.04352	0.9
338.07919	0.8
341.10294	1.2
353.10349	2.1
378.47623	0.9
461.20074	2.1
470.47934	0.9
479.21405	10.7
543.27960	1.9
557.34540	1.2
557.56622	0.9
645.34900	1.5
655.87531	1.0
661.30707	1.7
667.38953	3.6
667.49548	0.9
669.40204	2.3
687.32593	9.4
705.33380	100.0
706.33856	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	707.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81020	0.2
55.60615	0.2
59.01380	0.7
67.01886	0.2
69.26041	0.2
71.01383	0.6
81.03439	0.2
85.02954	6.5
87.00887	1.2
93.03472	2.5
98.21887	0.5
108.02216	0.2
109.02948	0.8
111.04520	0.8
126.26617	0.2
127.04015	1.6
133.02950	1.3
135.04564	1.1
161.02455	1.5
171.02979	0.4
173.04584	1.7
177.02011	0.3
179.03558	0.9
191.05623	100.0
192.05933	2.2
215.05684	0.4
228.94144	0.3
313.85995	0.2
351.07205	0.4
352.07602	0.5
353.08789	15.6
354.09070	0.8
470.94501	0.2
578.44836	0.2
583.53638	0.2
650.59814	0.2
724.85779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.4
60.99294	0.8
67.01900	5.2
69.03481	1.5
71.01386	4.7
81.03455	1.0
82.87811	0.8
83.05029	1.4
85.02962	8.7
85.48676	0.8
87.00887	3.1
89.02464	1.3
93.03470	29.3
99.04528	1.0
104.99596	0.9
109.02951	2.2
110.96602	0.8
111.00869	1.0
111.04546	6.4
113.02457	1.1
127.04037	2.9
133.02945	2.3
133.10347	0.8
134.03757	4.1
135.04543	78.0
136.04839	2.0
137.02466	6.1
151.03909	0.9
155.03510	3.4
161.02460	4.5
164.63692	0.9
173.04568	100.0
174.04897	2.9
175.05086	0.9
179.03517	65.1
180.03831	1.6
191.05646	51.0
192.05907	1.6
192.26971	1.0
323.13492	1.5
353.08826	80.5
354.09042	3.2
533.13092	1.0
669.47479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79168	1.3
55.01881	2.9
57.03455	61.4
58.00587	1.1
59.01384	91.0
61.98834	5.2
69.03448	1.3
71.01385	54.4
73.02953	20.1
79.14219	1.2
81.03459	3.1
83.01386	9.8
85.02956	17.7
87.00890	9.0
89.02451	24.2
95.01395	4.3
97.02959	3.9
97.62440	1.1
99.00877	4.0
99.04524	23.7
99.65330	1.2
101.02454	56.2
113.02459	23.9
119.03515	11.1
125.02464	25.7
131.03525	11.4
143.03531	9.7
143.53633	1.2
149.04517	1.7
155.03592	1.6
159.02994	3.4
161.04582	23.7
179.05638	22.8
203.05684	7.3
217.03201	1.3
221.06665	31.4
263.07718	17.7
305.08725	3.7
309.20755	1.9
343.75500	1.1
357.19315	1.5
396.07391	1.1
459.22391	4.5
477.23395	15.8
501.23474	5.7
519.24506	100.0
520.24731	9.1
561.25403	17.5
601.28772	2.6
640.66162	1.2
663.29089	8.3
711.09796	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	707.294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62388	1.4
59.01387	7.4
61.98841	6.8
68.89922	1.3
69.21172	3.2
69.21581	6.5
71.01391	2.2
74.40510	1.5
80.05080	7.5
85.02966	1.5
91.85028	1.5
94.02988	21.2
94.06642	3.1
98.22723	2.8
104.05077	3.0
106.06628	2.2
107.03766	7.5
108.04593	3.4
112.35127	1.3
120.04575	2.9
120.08164	1.8
121.02914	1.4
122.06130	32.3
124.04092	2.1
125.02441	1.5
132.04581	2.0
134.06128	7.2
136.04060	3.3
137.02559	1.6
138.05621	7.6
147.03168	1.5
148.03995	2.5
150.05565	7.8
152.07184	58.0
152.08424	3.0
160.04063	1.5
161.02368	1.6
174.05711	1.6
177.01920	3.9
180.06699	2.3
188.07178	4.3
190.05087	2.0
193.05145	2.7
201.10373	8.8
211.08783	2.5
213.10361	5.2
225.10368	3.7
225.92525	1.5
226.11082	2.0
227.11908	5.3
229.09866	12.0
229.13411	3.3
237.10313	3.4
239.11845	7.2
245.12993	10.6
247.10956	1.5
249.07004	1.4
249.10173	1.7
250.07462	4.0
251.08160	2.8
251.11981	1.9
253.09900	3.7
255.11392	4.6
257.12881	4.2
259.10986	2.0
265.09796	8.8
266.10535	3.3
267.11417	5.7
273.12366	3.8
277.09683	3.2
278.06839	3.6
278.10834	2.9
279.07724	7.0
279.11374	4.6
289.11951	3.5
291.07816	1.8
293.09329	20.5
294.09952	4.1
295.10892	9.6
297.12363	2.7
301.11981	14.5
306.09918	2.6
307.10831	3.0
309.12473	2.9
313.12021	4.0
319.09396	2.8
319.13004	38.2
320.13361	3.2
323.10385	6.3
327.13419	3.1
337.08527	9.9
338.08737	1.7
339.09900	2.0
355.13220	3.5
358.12332	1.7
372.13367	2.5
374.15274	8.1
391.15424	2.5
392.16122	6.6
398.14777	1.6
416.16037	4.9
417.16803	1.6
430.13577	3.2
431.18277	2.5
434.17365	2.1
458.17657	2.0
459.17828	3.5
460.18652	3.7
474.20340	2.9
476.18274	3.8
486.17136	2.1
492.21191	4.4
503.16925	5.4
504.17722	9.6
516.91571	1.6
518.19342	19.0
539.22925	4.2
550.21973	34.1
551.22394	4.1
553.23889	1.8
557.23944	6.6
571.25720	2.8
581.23950	5.9
582.24487	1.5
583.21967	4.8
599.25153	46.1
602.23938	3.4
615.24524	4.0
625.22906	3.6
631.27948	4.7
643.24109	49.3
644.24225	4.2
647.27283	2.8
657.26489	7.2
675.26740	100.0
676.27399	9.3
705.26178	1.6
707.29443	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	707.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	4.2
64.24988	2.0
69.12975	15.5
69.13277	4.1
76.98856	2.5
78.95935	2.6
98.22606	5.2
99.04370	2.2
106.00863	2.4
109.34438	2.4
148.01678	2.5
177.01987	2.6
189.01930	8.2
190.02760	6.3
197.67958	2.3
204.04369	2.7
211.07790	3.0
243.06641	37.0
269.08246	16.8
270.99173	2.6
274.40311	2.6
285.87140	3.2
311.13000	7.0
312.13699	16.1
313.10913	4.1
327.16022	52.8
328.13214	24.8
328.16714	4.4
343.15527	100.0
344.15720	5.6
489.21384	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24216	4.0
59.01391	46.2
60.95374	4.5
61.59760	4.3
66.04784	4.0
70.91864	5.2
71.01374	25.1
73.02937	7.4
78.68748	4.0
86.42890	4.0
87.00896	5.1
89.02460	20.7
97.02937	5.2
101.02445	24.9
102.47460	4.3
108.51321	4.3
113.02441	12.2
119.03519	10.6
125.02467	8.0
126.86948	5.1
133.18858	4.4
161.04585	4.7
179.05672	6.5
235.08244	12.5
249.18633	56.7
397.13513	100.0
415.14542	35.5
467.65842	6.2
521.50488	5.1
670.95856	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	707.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	54.0
61.98815	7.8
71.01384	33.7
73.02941	5.1
74.69381	2.6
80.07771	2.5
85.02935	6.0
87.00877	5.1
89.02439	23.1
97.02966	5.7
97.05141	2.5
98.21796	5.1
99.00928	2.9
101.02452	27.8
113.02467	11.6
119.03481	9.9
125.02439	9.2
133.04921	2.4
143.03505	5.1
144.18857	2.5
161.04465	3.6
179.05655	4.7
190.99692	2.5
235.08246	10.3
249.18610	76.8
250.18867	4.1
397.13535	100.0
398.13672	3.6
415.14597	33.0
485.33090	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	709.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16860	3.8
59.01381	82.5
71.01389	54.5
71.68963	3.5
83.01398	5.8
83.05016	20.5
85.02950	8.3
87.00909	6.1
89.02448	42.1
90.97156	6.2
93.03441	6.5
95.01382	5.4
98.00124	4.9
101.02457	38.9
109.02981	3.9
111.04553	26.0
113.02463	28.9
118.96652	51.6
119.03524	21.3
123.04563	6.6
126.65968	4.1
127.04047	3.9
131.03508	15.4
132.98204	16.7
137.02455	9.4
146.96112	4.8
155.03563	10.4
156.98100	27.1
157.06546	4.6
158.94739	3.9
160.97702	28.3
161.04625	9.5
161.83282	5.0
174.99298	8.9
179.05594	17.3
182.99899	4.9
186.99254	12.4
210.99252	10.7
217.00314	100.0
226.98790	6.0
229.00310	30.9
255.01918	11.0
275.07684	32.7
277.02457	32.3
293.08823	93.5
294.09064	6.8
313.02438	12.2
317.08817	58.6
331.03757	6.9
347.09903	26.6
365.11069	5.1
373.04688	82.2
374.04694	4.8
377.10828	15.0
391.05612	23.7
395.11865	22.5
403.05444	5.7
433.06708	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96219	0.6
55.84286	0.4
57.03456	0.7
59.01387	4.8
61.98837	1.6
71.01382	2.2
72.84551	0.5
73.02946	0.8
73.59016	0.5
80.32203	0.5
85.02956	0.5
85.06599	1.6
87.00888	1.8
89.02458	0.9
96.96056	0.6
101.02456	1.7
105.65464	0.5
108.02171	1.5
109.02964	13.3
113.02462	1.7
115.04025	0.8
119.03526	0.7
119.08643	0.5
121.02973	1.6
122.03757	1.4
123.00955	0.8
123.04571	0.8
124.01699	0.6
131.03581	0.7
135.04550	1.2
135.10881	0.4
135.55414	0.5
136.01662	7.7
137.02524	0.5
139.04034	3.2
143.04991	0.5
145.02951	1.5
146.03737	2.7
147.04547	1.4
149.00883	0.5
151.04016	8.7
158.03787	0.7
159.04503	1.2
160.05362	1.7
161.02531	0.6
161.06056	2.0
171.04597	0.9
172.05348	2.5
173.06117	0.7
174.03168	0.7
175.03987	6.6
176.04808	7.7
177.05434	0.7
188.04762	0.7
189.05646	6.7
190.06367	6.1
191.07124	10.2
201.11366	0.7
209.11838	0.8
221.19116	1.8
223.07680	1.0
233.06282	0.6
239.07280	0.9
251.07123	3.0
261.05573	1.4
262.06308	0.9
265.18082	0.8
266.05899	2.2
266.09381	0.6
267.06601	7.3
268.07178	0.9
277.08713	0.8
278.05820	1.0
279.06696	9.6
281.08173	2.1
282.09030	3.7
283.09695	0.9
283.19214	1.3
286.20447	0.6
293.08322	2.0
294.09039	6.5
296.10596	1.5
297.07739	3.7
297.11365	13.7
301.20203	4.8
309.11316	2.1
311.09235	0.8
312.10077	17.2
313.10416	1.1
315.12292	1.0
315.21606	0.6
327.12408	100.0
328.12698	6.9
329.14227	1.0
345.13477	8.3
357.13461	23.9
358.13754	2.2
375.14511	16.5
376.14862	1.5
471.16452	0.8
501.17758	4.6
502.17633	0.6
510.02960	0.5
519.18848	1.4
521.43280	0.5
537.19861	1.8
577.28625	13.8
578.28967	1.2
579.20782	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	709.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96219	0.6
55.84286	0.4
57.03456	0.7
59.01387	4.8
61.98837	1.6
71.01382	2.2
72.84551	0.5
73.02946	0.8
73.59016	0.5
80.32203	0.5
85.02956	0.5
85.06599	1.6
87.00888	1.8
89.02458	0.9
96.96056	0.6
101.02456	1.7
105.65464	0.5
108.02171	1.5
109.02964	13.3
113.02462	1.7
115.04025	0.8
119.03526	0.7
119.08643	0.5
121.02973	1.6
122.03757	1.4
123.00955	0.8
123.04571	0.8
124.01699	0.6
131.03581	0.7
135.04550	1.2
135.10881	0.4
135.55414	0.5
136.01662	7.7
137.02524	0.5
139.04034	3.2
143.04991	0.5
145.02951	1.5
146.03737	2.7
147.04547	1.4
149.00883	0.5
151.04016	8.7
158.03787	0.7
159.04503	1.2
160.05362	1.7
161.02531	0.6
161.06056	2.0
171.04597	0.9
172.05348	2.5
173.06117	0.7
174.03168	0.7
175.03987	6.6
176.04808	7.7
177.05434	0.7
188.04762	0.7
189.05646	6.7
190.06367	6.1
191.07124	10.2
201.11366	0.7
209.11838	0.8
221.19116	1.8
223.07680	1.0
233.06282	0.6
239.07280	0.9
251.07123	3.0
261.05573	1.4
262.06308	0.9
265.18082	0.8
266.05899	2.2
266.09381	0.6
267.06601	7.3
268.07178	0.9
277.08713	0.8
278.05820	1.0
279.06696	9.6
281.08173	2.1
282.09030	3.7
283.09695	0.9
283.19214	1.3
286.20447	0.6
293.08322	2.0
294.09039	6.5
296.10596	1.5
297.07739	3.7
297.11365	13.7
301.20203	4.8
309.11316	2.1
311.09235	0.8
312.10077	17.2
313.10416	1.1
315.12292	1.0
315.21606	0.6
327.12408	100.0
328.12698	6.9
329.14227	1.0
345.13477	8.3
357.13461	23.9
358.13754	2.2
375.14511	16.5
376.14862	1.5
471.16452	0.8
501.17758	4.6
502.17633	0.6
510.02960	0.5
519.18848	1.4
521.43280	0.5
537.19861	1.8
577.28625	13.8
578.28967	1.2
579.20782	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	709.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.5
61.98831	8.0
64.19706	1.6
68.68069	1.6
69.28338	5.5
71.01391	4.2
85.06577	2.5
101.02472	3.1
103.94215	1.6
109.02968	25.4
121.02990	2.8
122.03761	1.9
123.00950	2.5
136.01686	14.4
137.02509	1.8
139.04028	5.0
145.03026	3.6
146.03735	2.6
151.04028	14.2
160.05244	2.7
161.02487	3.2
161.06058	2.4
172.05315	2.9
175.04005	4.9
176.04767	5.4
189.05574	6.7
190.06369	7.4
191.05598	3.6
191.07208	8.3
222.74562	2.0
231.81622	1.7
239.07114	1.8
251.07112	3.1
261.05667	2.4
266.05838	2.2
267.06635	45.4
268.06992	3.5
279.06534	9.4
282.09006	40.6
283.09393	2.7
285.03909	3.4
293.08163	2.0
294.08972	6.8
297.07816	5.2
297.11310	100.0
298.11710	7.8
309.11407	2.6
312.10107	12.6
315.12332	2.5
317.10626	2.4
327.12408	76.9
328.12903	2.5
329.08734	2.0
345.13431	50.0
357.13470	10.9
375.14523	84.8
376.14908	5.0
501.17651	3.8
519.18475	8.7
537.19739	4.4
558.68646	2.0
579.20929	13.3
709.33698	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.6
71.40842	0.3
92.51940	0.3
99.13621	0.3
104.02698	1.2
118.04253	0.7
133.03014	0.9
145.02979	1.3
148.01715	1.5
157.06587	0.4
161.02461	0.9
162.03206	1.0
173.06041	0.5
176.01233	0.4
177.01962	2.1
185.06198	0.5
189.01939	7.7
190.02739	7.2
191.03333	0.3
199.07689	0.3
199.23112	0.3
201.01936	0.8
201.05554	1.4
203.03459	0.9
204.04280	2.3
211.07643	1.6
216.04312	1.0
222.01698	1.5
225.09233	0.9
229.05089	3.9
230.05794	0.6
236.03262	1.3
241.08820	0.3
243.06691	1.6
244.07385	1.0
253.04942	0.7
255.06609	1.4
256.14557	0.3
265.12073	0.4
267.06631	1.9
269.08200	19.9
270.08694	1.2
283.13422	0.7
285.11371	0.5
295.09705	0.6
310.12173	0.3
311.09369	0.4
311.12872	9.2
312.13269	0.5
313.10828	7.0
314.11075	0.4
327.12286	1.7
328.13174	31.8
329.13406	1.3
335.07681	0.8
343.15503	100.0
344.15854	3.5
349.10709	0.6
351.10928	0.6
365.13589	1.0
487.34409	3.7
511.36603	0.3
660.56665	0.3
709.29395	5.7
710.29993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52223	0.3
63.99574	0.2
104.02680	0.4
107.05021	0.5
118.04270	0.3
133.02917	0.4
144.05780	0.3
145.03001	0.6
148.01656	0.8
161.02415	0.9
162.03275	0.5
171.08151	1.1
185.06059	0.2
187.07629	1.0
189.01950	2.9
190.02727	4.9
199.07672	3.0
201.01947	1.7
201.05618	0.5
203.03513	2.5
204.04285	0.6
210.47192	0.3
215.07103	1.0
216.04277	1.5
217.04965	0.3
222.01747	1.2
225.05682	0.4
229.05084	1.2
230.05814	0.6
236.03239	0.4
239.07153	0.5
243.06615	46.5
244.07133	2.2
246.48767	0.3
256.07312	0.3
256.92227	0.2
257.08182	5.2
258.08929	0.5
259.06079	1.0
271.09750	0.3
272.14294	0.4
283.13477	0.3
311.12906	6.7
311.16281	0.5
312.13165	0.4
313.10693	0.4
327.12442	0.6
328.13153	30.5
329.13504	1.5
343.15500	100.0
344.15829	4.8
365.13837	1.6
550.34692	0.3
709.29675	4.2
710.30035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.9
61.98833	1.0
62.05077	0.4
71.01387	5.2
71.03392	0.5
72.99342	0.5
73.02959	1.0
75.81451	0.5
79.05933	0.4
83.01444	0.5
85.02976	1.6
85.06599	100.0
86.06947	1.3
87.00888	0.8
88.98810	0.8
89.02464	3.7
96.96015	3.3
98.95612	0.7
99.00883	1.1
101.02425	2.9
108.02151	0.6
113.02467	1.6
113.06104	20.1
114.06390	0.8
115.04025	15.8
119.03499	2.0
123.03342	0.6
124.06950	0.5
129.05612	6.0
131.03482	0.7
133.02969	1.0
135.04524	1.7
136.07710	4.2
138.05652	3.4
143.03461	0.8
147.04553	0.7
149.04591	1.5
152.01157	0.6
157.05089	6.0
161.02464	1.4
161.04558	0.6
165.05556	0.8
167.03482	2.4
175.02568	0.6
179.03481	0.6
179.05614	0.8
179.10870	0.4
182.04648	0.6
184.06175	0.9
189.07700	16.1
191.05638	3.9
197.20023	0.5
212.81281	0.5
236.89125	0.4
255.02989	0.8
257.13034	1.3
285.03998	3.8
286.04483	1.4
319.13068	0.8
329.08734	0.7
351.28616	0.5
475.19769	0.5
505.45822	0.6
519.24384	2.4
681.57819	0.6
709.33301	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	709.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24791	1.8
55.33629	2.0
59.01380	8.4
61.98827	6.0
63.38849	1.8
69.03471	3.8
71.01381	4.4
71.05000	2.2
89.02455	3.2
101.02463	2.7
119.08553	1.6
126.01199	2.0
161.09805	2.4
179.10762	6.9
197.11848	73.2
205.19379	1.8
223.09618	2.6
241.10791	4.5
249.18643	18.6
253.09279	3.2
426.15631	1.9
459.18771	2.2
477.19955	2.5
478.72330	1.7
647.98138	1.9
709.38165	100.0
710.38562	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	710.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	1.8
59.01384	100.0
61.66190	1.6
64.34863	1.5
71.01391	3.9
72.99289	2.2
87.00884	36.6
96.96005	1.9
101.02445	1.9
103.00382	55.9
103.01077	2.8
121.02967	68.7
122.03279	2.3
130.99886	57.9
135.04565	3.7
162.01910	2.3
179.03508	2.9
191.05670	2.9
243.17418	1.6
253.03560	73.1
254.03937	2.1
371.20636	1.8
386.95749	1.7
594.80713	1.6
669.75677	1.8
702.53809	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	710.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.6
62.60837	0.6
69.41364	1.7
69.41757	1.2
71.01394	3.1
73.47124	0.7
85.02954	0.9
89.02458	1.3
89.79114	0.7
91.19622	0.7
92.05059	2.1
101.02451	2.1
113.02518	0.8
116.05090	6.2
118.03003	5.9
119.03513	1.3
128.05069	1.4
130.06638	8.7
131.03760	1.8
132.04572	2.0
132.08247	0.8
134.06114	4.7
142.06635	1.9
144.04567	94.8
145.04930	2.5
146.02498	39.8
146.06160	1.9
148.07724	1.5
157.05370	1.0
158.06129	26.7
160.04068	5.3
162.05630	8.2
174.05629	3.3
176.07184	22.9
176.08731	1.1
186.05609	9.3
188.03557	2.8
204.06677	26.5
230.04590	6.5
265.10275	0.7
306.09903	2.9
308.07721	7.5
321.68570	0.8
324.10919	1.3
350.08899	11.1
368.09885	100.0
369.10199	5.7
414.56906	0.8
678.52264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.3
61.61905	0.2
61.89706	0.2
61.97380	0.3
61.98830	1.3
65.99841	0.3
68.28127	0.2
69.15330	1.3
71.01399	0.6
85.02971	0.3
87.04522	0.5
88.98813	0.7
89.02460	0.4
96.01445	0.3
101.02478	0.6
113.02436	0.4
114.93390	0.3
116.05083	3.8
116.92876	0.6
131.03638	0.2
135.04520	0.7
137.09753	0.5
147.93823	0.3
155.10811	1.1
159.03288	1.3
160.04056	100.0
161.02467	0.5
161.04419	2.0
166.56267	0.3
174.05609	0.3
179.03549	0.6
190.05066	0.5
191.05627	0.5
199.09778	0.9
202.05161	0.4
204.03021	4.6
218.04623	2.0
221.04672	0.3
228.03053	0.8
246.04123	2.2
281.06784	0.6
283.11899	0.5
285.04056	0.8
343.14096	0.7
504.18869	2.7
546.20020	0.3
548.17773	20.8
549.18359	1.0
590.18744	2.8
615.19348	0.3
650.21039	1.0
692.26385	0.3
710.23065	6.7
710.34753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.3
61.98835	100.0
71.43971	0.2
78.96565	0.2
102.64618	0.2
104.88547	0.2
105.43610	0.2
117.02829	0.2
144.75018	0.2
175.55518	0.2
188.98569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04548	2.3
59.01088	2.4
59.01387	41.6
61.98814	3.3
71.01392	27.3
72.13373	2.4
73.02926	4.7
75.95444	2.2
78.95898	2.4
83.01379	3.3
85.02944	4.5
87.00868	4.9
89.02465	23.2
97.02937	6.0
98.21893	6.2
101.02452	21.2
113.02452	7.0
115.57622	2.3
118.97242	2.3
119.03505	7.1
125.02440	9.1
143.03494	2.7
179.05663	6.0
221.06786	2.6
235.08220	10.5
269.24890	80.1
270.25223	4.5
277.21857	3.1
305.08725	4.0
397.13535	100.0
398.13705	5.6
415.14664	25.0
455.74823	2.4
602.72919	2.6
667.39130	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	710.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66650	3.7
53.90088	3.2
56.21279	3.6
56.33408	3.4
61.98825	6.2
66.69444	3.8
69.93870	5.0
69.94204	8.0
71.12037	3.7
82.18071	4.3
96.66108	3.4
98.22534	6.8
164.35689	3.8
171.10284	100.0
246.26724	3.9
253.09386	9.5
277.21777	51.1
278.21796	3.9
311.60138	3.7
326.93417	3.8
327.71313	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	710.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45496	4.3
69.46142	21.1
93.52470	5.7
110.98149	4.2
112.59177	4.2
171.10277	78.0
186.65427	4.6
277.21716	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	711.194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66784	0.2
59.01383	0.6
61.98835	0.8
66.43279	0.2
68.24182	0.1
71.01389	0.2
75.00903	0.2
77.03995	0.2
81.03448	1.2
89.03981	2.9
93.03463	0.3
95.05038	0.2
96.43175	0.2
96.96003	0.2
101.02447	0.2
104.02693	0.8
105.03464	4.7
113.02554	0.2
121.02947	0.7
122.03785	0.2
133.02974	10.3
134.03795	1.0
135.04532	0.4
137.02472	0.3
145.08607	0.2
148.01674	0.5
149.02446	1.9
149.06137	0.2
150.03252	1.5
161.02440	0.3
165.05560	1.1
167.03462	0.2
175.04034	0.3
176.01190	1.3
177.01944	100.0
178.02290	3.0
179.03499	0.4
193.05135	0.7
195.06665	0.5
233.22318	0.2
269.04285	0.2
282.08896	0.3
341.10345	0.3
343.11832	0.2
345.93713	0.2
515.12030	0.2
547.77856	0.2
711.19342	12.6
712.19611	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	711.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
61.98832	0.3
71.01026	0.3
71.01380	1.9
71.30676	0.2
73.02966	0.6
78.50293	0.3
80.34929	0.3
84.02159	0.4
85.02959	1.6
89.02469	0.4
93.03464	0.5
96.95986	0.4
101.02458	1.2
108.02164	0.5
109.02979	0.7
113.02444	0.9
121.02969	2.2
122.03730	1.6
123.00890	0.9
125.02417	0.3
125.42964	0.3
133.02979	0.3
135.04582	0.3
136.01671	26.5
137.02480	4.3
139.04048	0.4
145.38182	0.3
149.02496	0.3
149.06137	0.4
149.12418	0.2
149.94389	0.3
151.00403	6.8
151.04015	42.0
152.01120	0.6
152.04614	1.4
159.02989	0.4
159.04376	0.4
160.05293	0.5
161.02397	0.4
161.04582	1.8
162.03255	0.8
163.03992	0.5
164.04822	0.4
166.02721	26.5
167.03294	1.1
175.03999	0.5
175.07663	1.0
177.01947	1.2
177.05568	0.6
179.03503	0.7
181.05075	35.9
182.05440	1.0
187.04190	0.3
190.02605	0.2
190.06415	0.5
191.03418	0.4
191.05534	0.4
192.04335	0.5
193.04984	0.7
205.05141	0.4
205.08618	0.6
207.06549	0.3
271.06174	0.4
280.21368	0.3
285.04132	0.4
286.08459	0.4
329.10251	1.0
341.13940	0.3
357.09808	8.1
358.10052	0.5
372.12140	7.5
373.12445	0.5
387.14502	100.0
388.14853	7.6
388.20029	0.3
449.10733	0.5
487.40271	0.3
549.19855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29632	0.3
51.21236	0.3
57.20457	0.3
61.98836	100.0
69.42050	0.4
69.83852	1.0
73.15339	0.3
91.73203	0.3
111.77994	0.3
167.20473	0.3
202.10887	0.3
267.24866	0.3
300.57211	0.3
352.68417	0.3
430.58041	0.3
490.52682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
59.01390	29.7
69.03460	5.0
69.21617	9.9
71.01396	30.7
73.57466	2.1
75.98204	2.3
83.01415	1.9
83.05034	7.8
85.02962	23.1
87.00887	3.1
89.02464	16.9
93.03445	2.2
94.80371	2.2
95.01399	7.9
99.00916	3.2
101.02483	13.1
111.04533	6.1
113.02470	54.8
119.03512	6.4
120.20584	2.2
120.21481	2.2
123.04541	3.4
127.93219	1.9
131.03531	10.0
143.03487	3.0
161.04564	10.2
179.05635	5.0
275.07715	4.5
293.08844	34.5
302.19238	2.3
317.08783	5.6
347.09799	7.1
437.12985	9.2
455.14142	100.0
456.14273	4.9
479.14133	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	713.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	81.8
61.98830	5.1
69.03461	8.2
71.01389	73.2
72.99306	3.3
73.02963	8.8
83.01401	4.3
85.02950	14.3
87.00881	3.3
89.02457	89.0
95.01405	4.2
97.02961	11.0
99.00879	14.5
99.92609	4.0
101.02449	17.0
108.07067	2.8
113.02473	12.7
115.04041	6.0
116.92876	44.7
117.92876	16.7
118.92715	10.5
119.03531	8.7
121.02932	3.9
125.02464	38.2
131.03529	9.5
136.01712	4.1
143.03529	3.2
147.04541	4.3
149.04582	21.3
150.03168	4.6
151.03981	4.5
152.01134	3.0
159.04500	2.4
165.05573	5.4
166.02750	3.5
168.18024	2.8
179.05681	5.1
180.04469	3.2
181.05042	3.6
183.19966	2.5
191.03836	2.2
191.05603	18.5
193.68845	2.6
233.06677	30.8
251.00243	2.6
269.08356	13.5
283.09720	4.7
284.03229	3.8
285.04022	19.5
293.08804	100.0
294.09103	3.5
299.09229	9.3
311.09152	11.7
314.11526	13.4
326.11481	13.1
329.13916	22.0
341.10303	4.0
341.13943	8.9
357.13312	3.1
385.13058	4.1
438.67236	2.9
450.35120	2.5
451.12347	4.5
503.15561	11.7
518.17755	4.7
533.20349	73.6
534.20496	5.6
551.21222	6.8
593.15222	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	713.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77204	0.5
55.01877	0.6
57.03441	0.9
59.01383	11.5
61.98838	3.1
68.10682	0.5
69.03470	1.1
71.01384	7.5
72.99316	2.4
73.02943	3.7
75.00895	0.7
83.01424	0.9
85.02960	3.3
85.96082	0.5
86.00070	0.5
87.00880	5.9
89.02457	2.8
95.01397	0.6
96.96011	1.6
97.02988	0.6
98.22694	1.2
99.00871	2.6
101.02462	5.3
104.34752	0.5
112.98843	0.8
113.02472	2.9
121.02932	0.6
125.02468	1.1
127.04057	0.6
130.99860	0.9
131.03603	0.7
133.02965	1.0
135.04559	2.5
137.02405	0.7
143.03531	0.5
149.00948	0.6
154.83794	0.6
155.10811	1.2
158.30006	0.5
159.04495	0.5
161.02466	1.2
169.83847	0.6
177.01993	2.6
179.03531	2.1
190.01981	0.6
191.05666	2.9
229.01437	1.4
231.16040	0.7
265.05362	0.5
269.21228	0.6
285.04041	0.9
287.22363	13.2
332.43246	0.5
419.19226	0.8
431.26929	3.1
449.21335	1.2
449.27588	19.4
450.27805	1.2
503.09863	0.8
515.28900	0.9
521.24030	0.6
563.30573	1.0
581.31836	100.0
582.32166	6.1
713.32880	5.7
713.47467	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	713.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73938	49.6
61.98841	88.6
62.15427	44.6
65.50554	48.8
70.41612	94.1
181.60397	54.5
195.20015	54.3
203.09409	50.5
695.00226	62.1
713.47675	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	713.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29490	0.4
52.31774	0.3
69.24798	2.0
93.29964	0.3
122.19785	0.3
186.48225	0.4
225.16106	0.4
260.44617	0.3
312.18509	0.4
401.24274	0.4
478.48755	0.4
643.62030	0.4
677.49500	3.1
713.47424	100.0
714.47772	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	714.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48442	1.8
61.98827	3.6
63.59075	1.8
69.04166	1.7
78.19727	1.8
98.22718	3.1
102.81325	1.7
147.48401	1.7
183.80351	1.8
234.15593	1.7
243.15701	2.2
313.81729	2.0
539.16095	2.3
553.17706	1.9
585.20642	2.4
671.23840	9.3
714.24255	100.0
715.24451	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	714.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	3.8
73.06762	1.6
73.66956	1.7
95.13648	1.6
134.27849	1.7
336.71631	1.8
539.15387	3.8
553.17450	5.0
585.20251	3.2
671.23737	10.2
714.24237	100.0
715.24664	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	714.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98835	100.0
68.96167	0.1
70.79753	0.3
71.01370	0.3
85.02959	0.2
101.02470	0.2
103.01698	0.2
121.03021	0.2
135.04662	0.2
191.05608	0.2
375.20215	0.8
628.38300	0.2
690.47186	0.2
713.47418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19923	0.9
58.00601	1.8
59.01385	100.0
61.98827	3.1
63.03146	0.9
67.80071	0.9
68.57503	0.8
69.30192	5.8
71.01389	52.6
72.99326	1.3
73.02943	1.8
74.94627	0.8
78.91909	0.9
83.01393	2.0
85.02971	6.6
87.00881	2.7
89.02454	74.3
93.03486	2.1
95.01395	2.9
101.02457	30.9
113.02454	21.5
116.92884	1.1
119.02666	1.7
119.03519	34.3
121.02962	4.5
122.03748	5.5
123.04553	1.0
126.09825	0.9
131.03506	3.9
133.02939	0.9
135.04517	1.2
136.01675	1.5
143.03491	4.0
149.02454	16.1
149.04550	2.2
150.03246	31.8
151.04036	1.2
155.09140	0.9
161.02458	2.1
161.04630	4.9
162.03239	2.7
164.04782	1.6
165.05582	23.4
177.05537	1.9
179.05635	13.0
195.06654	12.7
253.08688	1.2
263.07233	1.7
281.08218	5.8
293.08292	1.2
296.10602	1.0
308.10434	1.4
309.07736	18.0
323.09174	1.3
324.10092	13.2
325.10617	1.4
327.12259	1.4
339.12393	24.0
379.26389	1.0
472.15771	1.3
487.17645	27.6
488.17783	1.7
505.18591	1.7
519.20032	1.6
535.19818	1.3
553.19891	1.1
715.26501	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	715.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.7
61.98837	9.2
71.01389	8.0
71.42094	1.1
73.02926	1.1
85.02963	1.8
89.02448	6.7
93.03444	3.0
95.05022	0.9
101.02446	4.0
104.71851	1.1
108.02193	2.2
109.02937	1.4
113.02458	2.6
119.03535	1.7
121.02975	11.2
122.03754	14.0
123.04543	2.1
125.02449	1.0
130.23622	0.9
133.02963	2.9
134.03703	1.9
135.04533	10.2
136.01675	19.2
136.05202	1.1
137.02466	5.9
139.03955	1.1
143.03569	1.1
145.03020	1.0
147.04520	2.7
148.34026	0.9
149.02451	30.4
149.06023	1.4
150.03236	59.6
151.04033	25.5
153.05482	1.4
159.04488	1.2
160.05319	1.6
161.02454	1.4
161.04576	2.3
161.06050	1.9
162.03226	1.1
163.04013	4.1
164.04814	7.8
165.05574	54.7
166.05827	1.1
172.05290	2.1
175.04025	7.6
176.04834	1.4
177.05545	3.4
178.02748	0.9
179.05641	2.0
179.07143	1.2
180.04265	3.4
185.01068	0.9
187.91971	0.9
189.05580	4.2
190.06351	9.5
190.60381	1.0
193.05165	1.2
195.06641	24.5
205.08757	1.0
255.06737	1.5
284.06998	2.0
285.07736	1.9
299.09265	3.7
309.11252	1.4
311.09155	1.2
327.12234	2.9
339.12381	2.2
343.11832	3.1
353.10281	1.6
357.13422	22.0
460.15067	2.3
475.17523	5.4
487.17456	3.3
490.16287	3.4
505.18716	100.0
506.19104	7.2
535.19763	2.8
553.20880	35.4
554.20837	1.8
667.24078	6.8
715.26550	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	715.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	15.2
60.10641	13.2
61.98824	58.2
63.07697	13.9
69.84966	57.1
78.15525	14.1
89.02458	16.1
98.21573	13.9
115.06221	15.7
170.80899	16.1
177.01482	15.9
178.98619	17.1
207.54411	16.5
231.82552	14.7
281.24863	56.1
378.30441	17.0
397.13638	100.0
415.14563	29.4
679.39618	22.0
715.36450	48.7
724.16467	17.1
727.72302	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	716.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.1
57.03438	2.7
59.01083	2.9
59.01383	53.0
69.03461	3.8
71.01388	35.5
71.41719	1.9
72.00910	4.7
72.99317	1.2
73.02954	5.0
75.00853	1.7
80.13442	1.2
83.01386	2.7
83.05038	24.5
84.47549	1.2
85.02947	10.0
87.00868	6.2
87.05715	1.4
89.02451	39.2
93.03468	6.4
95.01367	2.0
99.00850	1.7
101.02451	40.5
109.02918	2.1
111.00914	2.2
111.03831	2.2
111.04534	23.2
112.01680	1.5
113.02455	26.3
119.03501	16.3
123.04508	4.3
125.02403	1.6
125.06120	1.1
128.87296	1.1
129.01952	1.9
131.03505	8.4
135.04532	1.4
137.02460	11.7
141.05612	2.1
143.03459	3.5
146.04584	1.7
147.04514	13.0
155.03494	8.7
161.04568	3.7
164.07178	14.6
167.03523	2.2
171.09370	1.1
173.04510	2.0
179.05627	16.2
185.04497	2.1
238.33562	1.5
275.07745	24.2
293.08804	100.0
294.09140	2.6
317.08792	65.4
329.08862	1.5
335.09885	4.3
347.09842	24.8
365.10617	2.8
377.10931	13.7
395.12039	8.6
426.00046	1.3
471.84607	1.3
525.46582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	63.3
61.98838	4.1
71.01389	30.5
73.05402	1.6
83.01463	2.0
85.02959	7.8
87.00918	1.9
89.02462	22.7
95.01407	2.5
96.96049	3.9
98.21800	3.5
101.02447	19.4
101.03511	1.6
106.06620	4.7
109.02978	1.6
113.02465	10.3
119.03511	7.3
121.02977	3.0
122.03724	3.1
122.06118	5.1
125.02431	2.3
133.03012	2.6
134.06136	39.6
135.04492	1.6
146.63873	1.7
147.04547	3.6
149.02419	4.4
150.03246	13.8
152.07198	10.5
160.05290	2.9
161.04597	2.1
164.04878	2.4
165.05554	11.2
175.07637	4.8
177.05609	1.9
178.06387	3.4
190.05151	6.3
192.06621	4.5
195.06662	7.3
213.10373	4.6
235.08795	2.1
237.06708	2.9
237.10281	13.2
238.09015	2.5
239.08401	2.4
240.04236	2.4
250.08737	2.0
251.08212	4.7
253.09854	8.9
255.06650	5.4
263.08191	4.9
265.06232	7.5
265.09805	5.7
266.06955	18.2
270.09006	4.5
271.09763	5.1
278.06985	7.8
279.07855	2.9
280.08594	3.3
281.09329	86.7
282.09589	3.1
285.04077	2.9
293.09360	46.9
294.09842	2.7
301.10721	5.5
313.11987	14.2
314.12448	6.0
329.13971	4.7
337.11752	2.1
361.00787	2.0
400.16782	3.3
428.16205	4.4
460.18622	2.3
477.19250	17.1
507.20490	2.7
517.18237	2.9
525.21710	8.4
533.24707	2.4
555.22449	4.3
564.23669	2.9
580.22968	2.4
608.22546	98.8
609.22974	7.6
640.25256	31.3
641.25684	2.9
652.21582	23.3
672.28094	2.4
684.24103	100.0
685.24402	10.2
716.26770	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32038	0.2
52.19119	0.2
54.46480	0.2
56.80532	0.2
59.01394	0.3
61.98835	100.0
132.20316	0.2
191.23047	0.2
265.32980	0.2
424.66074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08110	0.1
59.01384	0.2
61.98833	100.0
62.98523	0.1
63.15818	0.1
64.01556	0.1
69.10221	0.9
98.22614	0.3
100.44544	0.1
165.64519	0.1
182.79007	0.1
246.94656	0.2
256.23972	0.2
398.14105	0.2
436.94312	0.2
496.13107	0.1
614.20203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94815	1.3
58.27064	1.3
59.01385	100.0
61.98837	80.6
69.26424	1.5
70.02005	1.7
70.02333	3.4
88.81242	1.4
98.21946	2.8
130.41725	1.4
130.54523	1.5
140.96707	1.4
152.07773	1.3
177.38171	1.4
251.88501	1.5
255.23204	2.3
322.59323	1.9
453.12067	3.0
459.16501	2.1
467.13248	1.8
481.11661	4.6
496.13898	18.4
497.14334	7.8
498.15506	2.9
510.15536	5.6
511.16431	8.0
512.16821	5.5
513.17688	5.6
539.19653	6.9
540.19629	1.4
544.16132	6.1
567.18994	9.9
570.18237	3.0
571.18359	11.4
572.18536	1.7
597.19861	2.5
598.20862	6.4
599.21503	39.0
600.21796	4.7
602.16443	2.2
657.21991	19.9
658.22339	2.2
717.24133	75.9
718.24506	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	717.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.1
59.58002	1.1
61.37271	1.1
61.37579	1.0
61.98834	13.9
62.56401	1.0
62.58466	1.3
65.98199	1.2
69.23232	1.2
71.01393	2.7
73.02939	1.3
82.35271	1.2
85.02934	1.5
85.28257	1.2
89.02454	2.3
93.03464	2.9
108.02180	1.3
113.02460	2.4
119.05009	1.9
121.02988	9.2
122.03775	10.9
123.04559	1.9
132.02217	2.5
133.02983	12.3
134.03761	3.5
135.04541	2.8
135.88086	1.1
136.01665	3.2
137.02469	1.9
147.04552	15.2
148.05356	2.4
149.02463	21.0
149.06070	7.1
150.03239	68.4
150.45799	1.1
150.62923	1.1
151.03839	2.5
151.57027	1.2
158.03725	5.2
159.04549	6.4
160.05305	19.5
161.02451	3.1
161.06090	10.0
163.04018	2.9
164.04776	8.7
165.05579	60.0
173.06094	5.5
174.06804	3.2
175.04010	2.0
175.07649	17.6
176.04771	5.3
177.05533	8.1
178.05275	1.0
178.06389	11.3
180.04312	2.9
191.05577	2.0
192.07974	7.7
195.06648	28.5
216.69261	1.2
218.89668	1.1
225.05641	1.2
240.04311	1.7
241.05067	1.7
255.06673	2.1
270.08899	4.2
271.09637	1.8
276.30325	1.4
285.04086	4.8
285.11255	1.8
297.11069	1.5
315.12396	2.9
329.10208	2.5
329.13974	37.2
330.14297	1.5
369.05280	1.2
371.14703	1.3
432.15640	2.3
447.18097	10.1
459.18335	2.4
477.19229	100.0
478.19534	6.7
489.19495	1.8
507.20270	10.0
525.21332	78.6
526.21545	5.4
555.22430	22.2
556.22845	2.3
609.23053	1.6
717.37421	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
56.36050	0.8
57.03457	1.5
57.94488	0.9
58.00591	1.4
59.01385	100.0
61.98837	2.8
69.09406	0.9
71.01389	49.8
72.99315	2.1
73.02954	1.6
83.01386	2.0
85.02959	9.0
87.00887	2.9
89.02453	66.4
93.03435	2.3
95.01403	3.2
96.96003	0.9
98.21890	1.9
101.02451	28.1
105.03436	1.0
112.98817	1.5
113.02464	22.4
116.92837	1.0
119.03519	32.4
121.02962	6.0
122.03790	6.1
123.04559	1.2
131.03522	4.3
133.02962	3.2
135.04564	3.2
143.03490	7.0
147.04517	1.1
149.02477	19.7
149.04539	2.9
150.03241	28.1
151.03905	0.8
161.02423	3.1
161.04539	5.3
162.03242	2.6
164.04813	2.5
165.05592	24.6
166.06268	1.1
175.03937	0.9
177.01961	2.1
177.05611	1.7
179.03680	1.1
179.03955	1.3
179.05635	13.1
180.04362	1.0
191.05627	1.5
195.06650	13.3
203.12863	1.0
212.81152	1.0
239.10915	1.1
283.09787	6.8
285.04095	3.5
298.12225	0.9
311.09280	12.5
312.09946	1.4
314.11472	0.9
325.10779	0.9
326.11646	11.7
327.11963	1.7
329.13855	1.1
341.13940	17.9
459.13873	1.1
474.16803	2.1
489.19241	24.9
490.19354	2.8
507.19791	1.7
517.03491	0.9
537.21851	2.0
669.25580	1.9
717.27423	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	717.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04596	2.6
51.42881	2.3
55.01880	4.0
57.03467	2.9
58.67974	2.2
59.01387	47.7
61.98832	8.2
71.01383	29.6
71.43223	3.1
73.02954	9.4
83.01409	8.1
85.02958	19.2
86.16596	2.0
87.00896	6.0
89.02457	13.6
89.29528	2.3
93.03455	5.4
96.96008	3.6
101.02454	24.9
108.02204	3.5
111.00896	2.9
113.02459	12.3
119.03519	5.0
121.02975	14.0
122.03786	13.7
123.04559	4.8
132.02173	2.5
133.02953	8.5
134.03806	5.2
135.04504	11.2
137.02475	3.1
147.04547	3.5
149.01193	3.4
149.02464	45.4
150.03246	94.3
161.02490	7.1
162.03261	2.5
164.04816	10.2
165.05585	74.5
166.06100	2.6
177.05573	2.6
179.03537	4.7
179.07098	3.1
180.04329	5.0
188.68504	2.5
191.05652	10.0
195.06657	25.3
240.04330	2.6
255.02844	3.1
266.14163	2.5
269.08240	3.7
281.08313	7.1
282.08853	6.3
283.10031	3.1
284.03342	3.6
285.03983	8.8
297.11368	3.9
299.09250	3.0
310.08441	3.0
313.10852	6.2
314.11609	5.7
326.11627	4.2
327.12436	7.2
329.13974	8.9
341.13821	4.4
343.14117	3.0
355.11908	5.1
431.14844	3.7
461.13708	2.6
462.16968	2.6
476.16711	4.7
477.19208	7.6
488.17230	4.5
489.18610	7.0
491.19327	46.4
503.19336	43.3
507.19592	4.4
521.20648	3.6
639.24933	14.8
651.24548	67.5
652.24469	7.2
657.34875	4.9
669.25592	100.0
670.26044	8.3
699.26862	6.8
717.27661	53.8
718.27979	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	717.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44429	16.7
51.64881	14.5
59.01379	29.8
61.98835	57.2
66.80051	18.7
69.49605	17.5
70.86035	23.0
75.76653	21.0
78.95892	16.5
99.72408	16.4
101.02472	23.1
147.34639	18.5
161.02350	21.7
210.90503	22.7
283.26492	50.7
286.41754	17.4
341.29587	17.4
353.92230	18.8
385.06949	18.2
397.13437	100.0
415.14435	22.5
717.38196	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30220	0.2
56.29580	0.2
59.01392	2.1
59.78824	0.2
61.98835	0.9
65.98914	0.2
69.22190	1.4
71.01389	0.6
76.48824	0.2
92.63319	0.3
112.98804	0.4
115.05582	0.2
117.07091	1.0
119.05035	0.3
121.02949	0.3
129.07082	0.5
130.04243	0.9
131.05042	1.4
133.02963	0.3
135.04527	0.8
141.07114	4.9
142.07333	0.2
143.05038	1.3
146.06189	0.5
147.04521	1.0
156.08182	2.6
157.06612	2.7
159.08173	10.1
160.08516	0.3
161.02428	0.3
174.09268	0.6
179.03503	0.7
184.07605	1.1
185.06145	1.5
186.05676	0.4
191.05634	0.3
202.08745	9.4
203.07188	2.2
203.08911	0.4
214.94212	0.3
228.06743	0.3
246.07727	100.0
247.08064	3.5
255.00037	0.2
384.28473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	44.0
69.03465	1.6
69.81123	2.6
71.01387	26.0
73.02950	4.6
79.00275	1.1
81.03450	2.1
83.01386	2.9
85.02976	4.7
87.00887	5.4
89.02448	22.4
95.01373	1.6
97.02961	5.9
98.22610	2.4
99.72481	1.2
101.02448	24.2
113.02453	9.8
119.02791	1.4
119.03497	8.4
125.02458	8.7
142.20341	1.2
143.03485	3.9
161.04579	4.8
161.92523	1.2
164.79378	1.2
179.05624	5.7
192.00453	1.2
200.29424	1.4
217.07213	1.3
231.34850	1.4
232.23055	1.3
235.08282	12.4
238.59123	1.2
253.09187	2.8
264.84415	1.4
277.21735	71.4
278.22086	3.1
287.07733	3.2
305.08719	3.8
313.14517	1.5
397.13507	100.0
398.13751	2.9
415.14532	30.3
416.14966	2.1
527.70154	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	718.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	44.8
59.77567	2.0
69.29067	9.4
71.01385	27.0
73.02939	4.8
83.01385	4.9
85.02929	5.2
87.00872	8.0
89.02458	25.6
97.02963	6.1
101.02444	22.4
113.02451	11.1
119.03510	4.4
125.02463	11.1
143.03476	2.1
161.04611	3.5
179.05650	5.6
217.07162	2.4
235.08200	12.9
277.21741	76.9
278.21970	4.7
305.08856	2.4
397.13519	100.0
398.13785	2.7
415.14505	32.6
675.35352	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	718.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84106	1.1
59.01387	23.5
61.98835	19.4
69.17764	4.8
69.18160	2.1
71.01388	12.5
73.02947	3.1
83.01368	1.9
84.25713	1.2
85.02966	5.0
87.00883	7.5
89.02453	10.1
98.22641	1.8
101.02458	10.4
113.02460	5.0
113.19390	1.2
118.15314	1.2
119.03489	2.5
142.87912	1.2
147.12608	1.1
156.10333	2.9
158.11864	3.6
167.14409	5.9
191.15938	1.1
211.13304	8.1
229.14447	7.6
265.18164	2.4
265.21771	2.2
272.18707	3.5
308.22144	1.6
337.55853	1.3
434.23962	2.9
443.47321	1.3
488.28027	1.9
586.36017	100.0
587.36389	9.8
718.36871	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	719.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.5
58.00587	2.0
59.01385	100.0
69.03465	5.2
70.73282	1.3
71.01388	59.4
73.02953	2.5
75.00867	1.8
83.01378	1.9
83.05034	34.3
85.02950	10.4
87.00879	5.1
89.02453	78.6
93.03457	5.6
95.01399	3.8
95.05037	4.5
99.04522	4.7
100.64458	1.4
101.02458	30.3
109.02984	3.7
111.04531	62.3
113.02459	30.0
113.06064	4.4
115.04031	2.2
119.03514	31.2
123.04520	10.7
125.02450	6.8
131.03525	7.4
141.05621	11.1
141.13368	1.3
143.03531	6.5
148.04051	2.5
149.04579	1.5
153.57954	1.4
155.03564	12.2
161.04562	12.0
165.05612	1.6
165.20250	1.5
167.03459	2.7
179.05629	52.6
183.06686	2.0
185.04613	10.7
240.21660	1.4
245.06700	3.6
248.00760	1.4
264.08823	3.7
291.10873	4.3
293.08810	55.9
294.09140	1.4
303.10800	1.4
305.08826	10.6
317.08929	2.2
321.11801	5.5
335.09875	37.8
336.10217	1.8
347.09879	16.9
365.10892	35.9
407.11914	4.2
425.12997	8.5
502.14783	1.3
503.40198	1.6
505.52527	1.4
541.70233	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	719.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59985	3.0
55.56689	3.1
59.01378	12.4
61.98819	3.0
69.47693	8.1
69.48066	6.8
71.01388	6.5
77.15746	3.4
101.02431	5.5
109.02993	3.7
114.54184	3.1
121.02990	3.9
135.04584	8.9
137.95374	3.1
161.02432	3.7
171.60576	3.2
191.05585	8.2
203.37250	3.1
229.57251	3.2
254.08586	3.5
285.04166	4.1
327.12488	3.8
341.13879	5.5
343.66440	3.3
488.16879	3.6
491.19275	87.4
492.19318	6.3
503.19345	71.1
521.20306	100.0
522.20526	4.2
636.28271	3.8
719.23425	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07777	1.4
57.03446	2.1
59.01362	7.8
61.28262	1.6
61.98828	13.7
69.03449	5.0
69.55786	2.7
69.56164	3.7
71.01380	6.4
71.05013	2.0
81.31623	1.5
83.05025	2.6
84.02174	2.6
86.02266	1.5
89.02452	2.6
96.65997	1.6
96.95998	1.4
98.22662	3.1
101.02447	5.4
113.02456	2.7
123.08179	1.9
125.09737	3.1
151.11249	2.7
161.09714	4.6
163.11296	3.4
174.33330	1.8
179.10703	8.0
197.11844	64.7
209.09836	3.6
209.11838	58.7
227.12943	3.6
241.10843	3.0
253.09245	3.7
348.35211	1.8
384.05957	1.7
392.87894	1.6
687.32343	100.0
688.32709	8.3
719.34747	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	719.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.3
59.73922	0.9
60.41334	0.9
61.98839	7.1
71.01380	8.6
71.41493	1.0
73.02968	2.5
85.02985	0.9
89.02465	9.2
96.96029	1.6
97.79881	1.1
101.02447	6.7
113.02473	4.4
116.92884	1.1
119.03519	4.4
121.02932	1.0
125.02490	1.7
135.04517	3.1
137.02499	0.9
141.66299	1.0
143.03506	1.1
161.04578	2.4
165.05583	1.6
179.03545	1.4
179.05609	5.4
179.07042	1.7
191.05748	1.7
221.06734	2.2
240.04086	1.1
263.07907	1.6
273.83905	1.0
285.04230	1.6
323.09811	17.3
335.22318	100.0
336.22726	6.3
342.34564	1.0
359.14841	1.9
371.14993	2.4
384.91068	1.0
516.83661	1.1
519.31689	3.9
521.32178	1.0
659.32959	8.2
683.38782	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92910	0.8
52.15317	0.7
54.84333	0.7
59.01383	100.0
61.98830	1.0
70.06271	1.1
70.06602	1.4
75.00914	1.0
103.00504	5.3
103.01502	76.7
122.91582	0.7
206.36705	0.8
220.09369	0.8
256.58212	0.9
295.36975	1.0
374.93317	0.9
610.83966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
59.01384	41.7
68.59281	2.2
69.03453	6.9
69.67818	10.6
71.01385	22.7
78.68331	2.2
78.95894	9.0
85.02954	7.4
87.00887	5.1
89.02469	21.6
90.55614	2.3
93.80480	2.6
101.02474	18.5
113.02460	23.2
113.54760	2.5
119.03514	10.1
123.04536	31.4
124.04850	9.8
131.03506	9.3
145.77313	2.5
146.75111	2.6
150.69466	2.5
152.38792	2.5
165.04129	2.5
167.03502	10.0
168.03925	4.3
198.41173	2.6
239.09241	2.5
293.08844	100.0
294.09015	4.2
329.08704	10.6
330.09018	8.5
355.00656	3.3
372.09955	2.6
407.11960	50.8
423.99960	2.6
564.89807	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	720.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39454	1.5
56.84903	1.4
59.01084	2.4
59.01382	43.4
61.98819	2.5
71.01386	24.9
73.02940	3.5
75.00852	1.5
83.01399	3.9
85.02956	6.1
87.00900	6.8
89.02450	25.9
95.01418	2.7
97.02953	5.5
98.22712	2.5
101.02456	21.5
113.02466	8.6
115.92445	1.5
116.52542	1.6
119.03508	8.0
125.02424	10.1
143.03493	5.6
152.83586	1.5
161.04576	6.1
173.51904	1.5
179.05630	4.2
195.40652	1.5
214.49951	1.5
235.08235	11.2
253.09218	1.8
279.23315	81.6
280.23596	5.1
287.07889	2.4
293.65353	1.6
305.08688	3.4
397.13528	100.0
398.13794	6.0
415.14551	34.7
416.14737	1.9
578.94965	1.6
610.61920	1.4
677.37506	2.5
742.76440	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	720.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
57.03439	0.9
58.00600	0.7
59.01384	39.2
60.01712	0.8
61.98815	1.6
69.03445	1.5
71.01387	27.4
71.42176	0.6
72.99296	0.8
73.02960	4.3
75.00864	0.7
81.03453	1.3
83.01400	3.1
85.02953	5.8
86.00086	0.6
87.00871	5.8
89.02450	24.2
95.01385	1.6
97.02970	5.0
99.00889	2.2
101.02452	21.0
113.01723	0.8
113.02454	10.8
116.85947	0.5
119.03517	7.0
121.02934	0.8
125.02475	8.0
127.04042	0.6
131.03532	1.2
133.05092	0.7
139.04022	0.8
141.01927	0.6
143.03503	4.0
149.04504	0.5
161.04543	5.6
169.05023	0.8
179.05620	4.9
217.07141	0.9
221.06624	1.6
235.08238	10.6
245.06555	0.8
253.09326	1.4
263.07672	1.1
279.23312	79.5
280.23740	4.5
287.07797	3.4
305.08798	3.3
323.09766	1.2
397.13528	100.0
398.13901	4.9
401.26019	0.5
415.14587	32.8
416.15100	1.2
460.53680	0.6
630.85553	0.5
677.37933	2.1
720.44019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	51.2
61.98829	38.3
71.01391	38.6
71.42642	8.7
73.02974	13.2
83.01434	10.8
85.02950	20.6
89.02457	15.5
101.02455	61.1
105.05235	6.3
113.02480	27.0
125.43322	6.7
155.13588	7.3
159.03009	7.0
161.04559	11.6
205.02892	6.7
228.96930	7.3
429.71866	6.8
477.62479	8.6
492.53598	6.9
515.33820	96.5
516.34106	9.2
588.36908	17.3
677.39063	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	720.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57207	0.1
61.98807	0.2
71.01369	0.2
73.06924	0.2
81.03464	4.1
82.06612	0.3
83.05034	10.7
84.05323	0.2
86.14005	0.2
104.19911	0.2
107.06251	0.2
108.04568	0.2
125.07224	0.9
126.05600	0.5
130.05789	0.2
143.08318	0.2
151.06339	0.2
183.15016	0.2
207.15031	1.1
224.17705	1.7
225.16104	10.3
226.16522	0.3
242.18741	0.5
309.21762	0.7
324.26620	0.4
333.22891	0.6
341.29147	0.7
351.23798	0.2
367.27023	1.2
381.93994	0.2
433.31802	0.9
450.34808	0.9
451.32913	6.4
452.33118	0.4
550.43463	1.1
559.39227	0.2
565.44147	0.3
593.44159	0.5
659.48566	1.8
677.49707	100.0
678.50031	10.6
712.95026	0.2
720.50641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66734	2.5
55.16599	2.2
59.01389	12.5
61.98832	8.2
69.22478	15.3
69.40541	2.3
71.01374	5.2
76.72155	2.3
89.02421	3.0
99.00842	5.0
105.22333	2.3
114.43065	2.4
118.54102	2.3
121.02955	3.3
122.03685	2.5
136.01685	24.9
137.02461	3.4
139.04022	3.1
145.02925	3.1
151.00340	8.3
151.04022	36.3
163.11275	4.2
163.53830	2.6
166.02705	27.7
181.05074	35.8
181.12431	7.1
190.11322	2.2
207.10243	8.2
209.11784	12.7
225.11319	11.1
243.12321	5.9
357.09644	6.0
372.11945	7.9
387.14493	100.0
388.14685	6.0
531.18469	7.1
620.39465	3.0
640.61505	3.4
685.34540	3.6
689.33875	28.0
721.37836	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	721.366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.5
61.98829	14.1
70.08968	4.4
71.01379	7.9
71.05030	4.3
73.02929	2.5
83.05032	3.5
85.02962	3.5
89.02460	5.3
95.01414	1.9
96.96063	3.9
97.02969	3.4
99.00887	16.0
101.02469	5.0
109.06627	2.8
113.02445	3.7
116.92986	1.8
121.02954	3.5
125.09740	7.5
135.04442	2.1
136.01672	20.4
137.02432	4.1
139.04024	6.0
151.00397	6.2
151.04013	23.5
159.67578	1.9
160.04007	2.9
163.11284	12.6
166.02713	28.3
171.10262	2.2
177.01898	2.7
180.01723	2.0
181.05070	29.8
181.12357	17.6
182.05368	2.3
191.05603	1.7
199.13405	14.6
207.10266	27.5
209.11867	36.4
225.11336	38.2
227.12894	2.1
229.29295	1.8
243.12411	21.1
244.09819	1.8
357.09830	3.9
387.14539	77.1
387.19537	3.7
388.14822	6.2
412.53925	2.0
479.21310	5.0
531.18585	5.4
689.33850	100.0
690.34192	11.4
721.36780	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	722.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	40.5
65.88767	2.6
67.06257	2.5
69.03461	4.3
71.01392	30.1
73.02953	6.4
83.01402	6.0
83.05027	4.5
85.02960	4.1
87.00893	7.4
89.02458	29.0
99.00893	3.5
101.02451	24.7
113.02457	11.1
117.79136	2.5
118.09119	2.5
119.03512	3.8
123.60486	2.5
125.02427	9.5
143.03534	5.2
161.04520	3.8
163.11278	6.0
179.05652	3.1
207.10284	9.9
208.10632	6.6
209.11829	74.2
223.58438	3.0
225.11267	5.2
227.12885	8.8
235.08275	14.8
238.36697	2.7
253.09288	12.2
277.21750	81.6
278.22028	9.7
281.21771	4.9
281.24887	77.5
282.25220	3.5
301.72656	3.1
305.08786	4.6
397.13519	100.0
398.13611	3.4
415.14481	34.0
450.46848	2.6
722.41797	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	723.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54753	0.9
63.02401	1.3
65.00342	1.4
66.90309	0.9
68.70456	0.9
69.76744	0.9
69.77092	2.8
73.70316	0.9
78.28761	0.9
95.96363	0.8
107.01397	2.1
109.99673	0.9
111.02050	1.0
117.03474	21.3
119.05037	4.8
131.43475	1.0
145.02962	26.8
149.02422	1.5
151.00391	1.9
159.04507	1.0
163.03987	1.9
169.06642	1.1
188.65866	0.9
201.05568	1.6
210.06877	18.0
211.07654	99.7
212.07922	4.9
225.05627	1.0
268.00894	1.7
268.03784	36.5
269.04553	68.5
270.04883	4.3
337.77887	0.9
382.58984	1.0
386.75745	0.9
418.81528	1.0
453.11819	3.0
511.08823	100.0
512.09161	8.8
577.13318	1.4
627.20355	0.9
723.17236	18.7
724.17841	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	723.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87155	1.2
55.30293	0.9
60.56448	1.0
61.98827	1.8
63.02390	1.4
70.38116	1.0
73.24136	0.9
77.27232	1.0
84.49844	1.0
85.79775	1.0
94.75359	1.1
97.43011	1.0
113.89199	1.2
117.03476	33.8
119.05038	10.6
131.96030	1.0
145.02966	57.8
146.03275	1.5
149.02411	1.3
151.00311	1.7
163.03989	4.0
181.91394	1.1
210.06851	2.2
211.07625	8.8
225.05534	1.3
268.03741	8.7
269.04559	100.0
270.04849	3.6
343.15234	1.2
453.11923	7.7
511.08960	12.5
559.12091	2.3
577.13477	4.0
723.04297	1.5
723.17181	32.4
724.17242	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	723.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
57.73277	0.5
59.01384	19.6
61.98832	0.8
65.06933	0.4
69.79107	0.7
69.79444	0.7
71.01381	6.4
73.02937	0.5
74.02468	1.5
81.03449	0.7
83.01385	0.6
85.02965	2.0
85.06616	0.8
86.44814	0.5
89.02449	6.2
95.01401	1.5
96.96018	0.8
101.02456	3.6
107.01402	0.7
107.37250	0.4
108.02177	17.5
109.03011	1.0
109.93335	0.4
113.02449	4.4
113.06109	1.1
115.03999	1.0
116.03507	0.4
116.05069	0.4
117.55621	0.4
119.03515	2.1
121.02907	0.4
123.00867	0.4
123.04529	12.0
125.02455	2.3
137.02377	0.5
139.03983	2.3
150.03227	1.1
151.00400	2.8
152.01164	29.8
153.01505	0.7
161.02435	0.5
161.04631	0.9
165.05573	0.8
166.02744	4.1
167.03508	100.0
168.03865	2.2
177.01962	0.7
181.05083	4.1
194.02202	2.1
203.08290	1.4
209.04567	18.0
210.04939	0.5
222.04024	0.4
239.05687	2.8
245.07336	0.5
245.09377	3.9
269.06696	6.7
271.06079	0.5
279.32495	0.4
311.07758	0.9
329.08789	41.4
330.09036	1.3
371.09839	9.1
431.09586	0.6
478.15189	0.5
501.16290	1.1
611.30414	0.5
652.52631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68415	0.3
52.81318	0.4
57.47610	0.3
59.01380	3.2
61.98837	3.5
71.01382	1.5
72.42271	0.3
73.02930	0.6
83.01398	0.6
83.02721	0.4
84.02144	0.5
85.02953	1.4
93.03479	0.8
101.02425	1.1
106.75694	0.4
108.02197	1.1
108.22770	0.3
109.02934	0.9
113.02431	0.7
121.02959	3.9
121.65276	0.4
122.03748	3.4
123.04522	0.8
125.02477	2.8
133.03015	0.5
134.03746	1.6
135.04527	1.0
136.01668	62.3
137.02528	2.1
138.31886	0.4
149.02452	0.3
149.06071	0.9
150.03220	1.1
151.04013	86.9
152.04330	1.7
159.04518	0.8
160.05327	0.9
160.47733	0.3
161.02428	1.4
161.04593	1.1
162.03238	1.0
163.04025	1.4
165.05600	0.8
167.03468	0.9
175.03960	0.9
175.07654	1.4
176.04753	0.9
177.01868	0.7
177.05602	1.1
179.03464	1.0
187.03967	0.4
193.05060	1.3
195.06566	0.8
241.04868	0.5
273.07684	0.8
287.05563	0.4
311.12863	0.6
342.11063	5.1
343.11676	0.4
357.13443	100.0
358.13770	5.5
391.08350	0.9
501.17728	4.0
502.18149	0.4
561.20184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24288	0.7
58.80533	0.7
59.01384	5.0
61.98845	0.9
69.49827	2.4
71.01390	3.7
78.95893	0.8
80.02702	0.8
81.03437	0.9
83.05043	4.5
89.02474	1.7
95.05013	1.0
101.02460	2.3
113.02431	1.3
119.03500	0.6
128.37224	0.6
135.08215	0.7
161.04488	0.8
163.11305	4.2
165.12827	2.5
179.05576	0.8
191.10887	0.8
195.82219	0.7
196.52295	0.9
209.11839	100.0
210.12202	3.2
227.10721	1.0
227.12901	9.6
233.22794	0.8
235.08176	1.8
253.09259	7.7
265.70206	0.7
277.21750	70.0
278.22031	3.6
391.15524	0.8
676.66278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36474	2.0
59.01387	55.1
61.98812	2.7
71.01384	32.6
73.02962	6.6
83.01405	4.3
85.02949	6.5
87.00868	7.9
89.02457	29.4
89.59235	2.6
97.02951	6.7
98.21851	6.3
101.02449	26.3
103.40195	2.5
113.02464	11.6
119.03497	6.0
125.02451	9.5
143.03557	4.0
161.04558	6.0
177.68306	2.0
179.05652	4.0
183.14429	2.1
209.11832	21.4
210.12180	8.4
221.12997	2.4
225.75975	2.4
234.43509	2.2
235.08240	12.5
239.08408	2.2
253.09291	4.2
277.21701	15.8
278.22031	10.1
283.26434	84.9
284.26721	7.2
305.08752	4.9
397.13501	100.0
398.13614	5.3
415.14590	30.8
536.16132	2.8
681.40344	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	725.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43310	0.3
59.01385	1.1
61.98837	1.8
68.86443	0.3
71.01362	0.7
83.01391	0.4
88.98810	0.4
89.02477	0.5
93.03435	0.4
96.96012	0.4
97.93887	0.3
101.02472	0.5
104.02692	9.1
109.00159	0.3
109.02990	0.5
113.02471	0.3
120.02188	1.0
121.02982	0.8
122.03761	0.7
123.00912	0.4
123.04527	0.5
125.02457	0.6
132.02162	0.3
133.02956	0.6
134.03786	1.7
135.04565	2.0
148.01678	13.7
149.02426	1.2
149.06137	0.5
150.03238	4.0
151.03986	0.5
160.01639	1.5
160.05342	0.6
161.02475	1.7
164.04842	0.4
165.05577	3.7
167.03465	0.4
167.70634	0.3
175.04012	2.6
175.07596	0.7
176.01161	98.7
177.01523	3.5
178.02678	0.6
179.03510	1.2
180.04192	0.5
189.01950	0.4
191.03517	100.0
192.03870	3.0
193.05014	2.7
195.06641	3.1
205.05099	0.4
217.05042	0.5
235.06146	4.8
236.06754	0.3
252.07152	0.3
269.04608	1.4
295.08188	0.8
297.11630	0.4
329.13953	2.6
337.05588	0.5
337.09296	5.8
341.06680	0.5
341.10260	1.8
349.16644	0.3
359.15030	0.6
383.11597	0.5
389.12332	0.8
431.13303	0.9
449.09387	0.3
455.11874	1.6
473.14258	0.3
492.98071	0.3
533.16840	1.5
678.50024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	47.8
65.57697	4.5
69.03458	7.6
69.24951	25.1
71.01378	38.2
83.05033	26.1
85.02941	14.6
87.00867	5.9
89.02443	37.0
93.03472	10.9
101.02450	38.5
102.76266	4.2
109.02957	4.7
111.04527	22.7
113.02454	34.5
119.03509	17.7
123.04496	4.8
131.03508	13.5
133.02983	5.7
135.04486	5.7
137.02449	16.1
155.03511	7.1
179.03461	4.9
179.05609	12.7
191.05537	11.2
259.97867	7.1
275.07690	33.8
293.08817	100.0
317.08804	56.8
346.39914	4.5
347.09845	34.5
377.10840	18.8
395.12073	8.8
407.11908	6.5
431.12369	6.0
605.45428	4.4
626.94012	5.1
725.19867	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	725.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03175	0.4
57.03449	7.4
59.01379	2.8
61.98825	1.4
69.05855	0.8
69.06257	1.0
71.01392	2.8
73.02956	1.2
81.07095	1.0
83.01394	0.3
83.05035	0.5
85.02952	1.7
87.04780	0.3
89.02443	0.6
91.84054	0.3
93.03481	0.4
95.05037	1.6
98.22720	0.6
99.00860	0.6
99.08164	38.5
100.08504	0.6
101.02448	1.5
104.45980	0.2
105.03457	0.6
109.05895	0.3
109.06609	0.8
113.02476	1.7
123.04533	82.5
124.04853	1.4
127.07661	51.0
128.07985	0.8
129.05589	39.0
130.05934	0.6
135.04498	0.4
138.03241	1.0
150.03229	0.3
151.03987	0.4
153.05583	44.5
154.05898	0.8
159.02953	0.5
161.02457	0.3
161.04582	4.3
171.06641	10.8
177.01826	0.3
179.03474	0.3
182.28435	0.3
188.28197	0.3
189.07719	3.1
195.06694	0.3
269.04694	0.4
285.09824	16.2
301.10898	0.4
312.91006	0.3
439.16238	0.7
457.17175	100.0
458.17526	5.6
467.08258	0.3
522.22870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73277	0.6
54.55946	0.6
55.01880	1.1
56.47289	0.6
57.03445	2.3
58.00599	1.2
59.01388	37.9
61.98833	3.1
69.03442	0.7
69.09816	3.7
71.01392	18.5
72.99297	1.3
73.02957	6.1
75.00862	0.9
81.21687	0.7
83.01392	3.6
85.02956	9.2
86.00112	0.9
87.00884	3.9
89.02459	5.9
95.01407	3.0
97.02973	1.7
98.22753	1.2
99.00890	2.2
101.02456	11.7
109.02928	1.1
111.00931	0.9
112.01686	1.4
113.02456	5.7
119.03522	2.1
121.02952	7.0
124.01618	0.9
125.02428	1.7
135.04526	1.6
136.01633	1.2
145.02968	1.4
151.03978	1.1
159.04512	2.9
160.04027	0.7
171.10315	1.1
172.21162	0.7
179.07201	0.7
182.24774	0.7
191.05611	0.7
211.07532	0.7
240.04398	0.8
253.08913	1.1
254.05869	0.9
255.06674	2.0
263.07166	1.8
264.07718	0.7
265.08578	1.2
267.06519	3.5
268.07443	3.3
269.08127	5.4
270.08939	1.9
271.09790	0.9
280.07358	1.7
281.08212	12.2
282.09012	6.9
283.09772	7.5
284.10654	0.9
293.08212	2.5
294.08771	0.9
295.09683	2.2
296.10498	2.2
299.09277	5.3
300.09943	1.2
304.62762	0.8
308.10553	1.0
309.11496	1.1
311.09238	4.4
312.09964	1.0
314.08325	1.3
314.11600	7.4
315.12274	4.2
325.10812	1.0
326.11612	12.4
327.12326	8.0
327.21759	5.8
329.10184	1.3
329.13947	18.2
330.14291	0.9
340.09329	0.8
341.10208	1.4
341.13986	11.4
342.10547	0.7
343.12134	3.4
355.11795	5.0
357.13312	1.9
368.12576	1.2
369.13486	2.0
371.14813	1.0
385.15167	1.3
411.14392	0.8
415.14618	1.4
430.08948	0.7
443.13321	1.3
455.13370	2.3
458.15826	6.2
461.14392	1.5
470.15952	5.4
473.18567	20.9
476.16833	13.8
485.18265	22.1
486.18393	2.1
488.16910	6.2
491.19287	100.0
492.19678	5.9
503.19260	98.0
504.19690	6.3
521.20258	7.6
533.20325	62.8
534.20209	3.3
545.20331	44.8
546.20935	3.6
563.21466	5.9
725.37006	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	726.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98837	100.0
63.59415	0.3
69.55450	0.9
115.70523	0.3
116.92863	1.3
152.87396	0.3
154.49097	0.3
160.44310	0.3
182.22411	0.3
209.04442	0.3
218.58719	0.3
224.72968	0.2
235.92984	0.3
257.59872	0.2
269.04684	0.3
283.30905	0.3
471.31305	1.2
501.32458	1.3
597.31702	0.3
663.37390	3.4
664.38702	0.5
672.12891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87280	2.5
57.03460	4.7
59.01381	39.9
67.01878	3.6
69.03461	9.1
69.91488	8.6
71.01387	15.6
72.40356	2.7
73.02960	18.7
78.48060	2.7
81.03468	6.5
83.01375	5.1
83.05039	5.4
85.02962	57.8
87.00890	100.0
93.03464	6.3
95.01398	20.6
97.02964	29.0
99.00870	3.7
99.04539	3.6
103.04031	13.1
109.02947	11.0
111.00876	10.6
113.02470	20.1
115.00369	12.1
115.04015	3.7
117.07100	2.7
117.61947	3.3
127.04041	14.0
130.23514	2.5
139.00381	16.0
140.61873	2.8
145.05084	6.4
152.33377	2.7
155.03430	3.9
157.01414	10.3
169.04950	3.3
172.18942	3.0
173.04602	3.5
175.02504	63.0
199.02513	38.6
217.03545	20.8
267.94571	2.7
300.50354	2.8
303.07275	20.7
321.08163	7.7
345.08188	9.2
387.09497	20.4
405.10440	9.9
460.35715	3.0
623.14941	6.4
709.18390	17.5
727.19263	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	727.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.8
71.01389	1.7
71.41576	1.0
72.16769	0.7
83.88384	0.6
88.98826	0.7
89.02473	0.8
93.03477	2.0
96.96020	1.0
101.02464	0.6
105.03455	0.8
106.04278	1.0
108.02216	1.3
111.00893	1.0
113.02437	0.8
117.03434	0.9
121.02964	3.7
122.03767	3.5
123.04561	2.6
125.02452	0.7
132.02190	2.7
133.02977	15.4
134.03757	99.6
135.04581	9.3
137.02478	10.6
139.04036	2.9
146.03683	1.1
149.02444	4.0
149.04889	1.2
149.06100	20.9
150.03238	20.4
150.06424	0.7
151.04048	5.5
159.04526	1.0
160.01671	15.7
161.02464	20.1
161.06114	1.6
163.03976	1.0
164.04799	2.0
165.05582	11.6
175.04021	17.3
176.01120	1.8
176.04457	0.7
177.01935	2.3
177.05597	1.2
178.02730	47.6
179.03526	8.2
179.07179	6.5
180.04294	1.2
181.05112	4.0
191.03519	1.4
192.04306	13.7
192.35997	0.6
193.05074	100.0
194.05418	2.2
195.06642	4.0
203.03595	0.7
207.06636	10.3
207.08469	0.9
208.07111	0.9
221.04524	1.5
224.63933	0.6
235.06155	5.1
269.04657	3.3
282.09052	0.7
308.67944	0.7
322.06964	1.6
323.03888	0.9
323.07748	17.8
324.07639	0.9
337.09311	15.5
339.08798	0.7
341.10257	2.1
371.11444	1.6
377.08853	1.6
431.13269	1.2
471.12827	1.9
515.15875	0.7
530.14185	9.2
531.15149	33.3
532.15155	2.2
533.16479	3.2
545.16718	1.6
585.16260	3.5
679.20380	2.1
709.21277	2.8
727.22253	11.8
728.22620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82618	4.8
59.01378	53.0
71.01377	21.3
71.68730	4.1
72.14673	4.5
78.95913	8.0
85.00439	7.1
87.00903	8.2
89.02469	24.6
101.02457	16.8
113.02489	11.0
119.03515	12.0
161.04579	6.8
171.38217	4.7
190.41931	4.3
204.55492	5.7
235.08180	6.3
269.24850	73.8
270.24954	7.0
277.21671	4.8
397.08652	8.6
397.13510	100.0
398.13773	7.4
415.14395	29.8
465.25000	4.7
620.16052	4.9
647.04297	5.1
731.80347	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	728.19
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
59.18050	0.2
61.98837	100.0
63.38263	0.2
73.09077	0.2
85.02958	0.3
107.14776	0.2
110.66264	0.2
179.03580	0.3
231.68578	0.2
293.08899	0.7
317.09042	0.4
615.67249	0.2
712.95251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01380	2.3
61.98848	3.6
62.88655	0.6
63.02414	1.1
65.00335	0.9
67.72507	0.6
71.01394	2.0
71.41628	0.6
71.72079	0.6
75.00948	0.5
93.03468	3.1
99.00871	1.1
101.02439	0.7
107.01385	2.0
109.02994	0.6
113.02516	0.7
117.03500	3.7
119.05074	0.5
121.02971	15.3
123.04572	0.7
130.04260	2.4
131.05051	7.6
134.03758	0.6
135.04524	0.8
140.64496	0.6
149.02469	1.3
149.06120	1.2
150.03285	1.0
151.00378	2.3
159.04469	1.3
161.02451	1.4
165.05609	1.2
175.04021	6.3
181.06639	0.7
193.05075	1.3
195.06607	1.3
197.06073	1.2
201.05597	0.9
225.05499	1.4
253.08711	1.4
268.03864	4.9
269.04575	100.0
270.04932	5.2
328.38171	0.7
337.09409	5.9
343.11810	1.6
356.91141	0.7
361.16595	0.7
369.22678	1.4
404.05615	0.6
431.09897	7.8
432.10324	0.9
459.12939	0.8
531.28076	2.2
607.14758	7.3
608.14526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30449	8.6
59.01390	51.4
61.98829	49.6
66.19064	8.6
69.84109	7.2
71.01379	18.7
85.06611	20.2
89.02431	15.2
101.02483	16.6
113.06094	61.7
115.04047	27.8
135.04568	9.4
139.04019	24.6
146.10208	7.9
157.05096	22.4
165.32526	9.1
179.05609	8.6
215.21297	7.6
269.08182	12.9
301.20093	10.4
314.11551	18.1
326.11649	11.6
329.13922	100.0
335.97885	9.0
341.13925	63.6
361.39642	8.3
529.27594	9.3
538.45093	9.0
648.64105	9.3
689.03687	9.4
755.84552	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	729.256
Annotation	Erythro-carolignan E
Peak:m/z	Relative Intensity
54.39101	0.7
56.43398	0.7
57.80816	0.7
69.09005	2.9
69.09434	3.3
71.33984	0.7
83.97842	0.8
89.03951	1.4
105.03490	1.6
108.02178	1.8
108.94896	0.8
116.44617	0.7
117.03492	4.3
119.05069	1.7
119.65421	0.7
121.02960	1.5
123.04536	1.4
123.22221	0.8
131.36273	0.8
132.02190	12.2
133.02975	10.8
134.03760	100.0
135.04587	14.3
135.60793	0.8
136.01662	4.4
136.02612	0.8
137.02480	5.5
139.04047	2.1
145.02980	1.5
147.04536	2.3
148.05336	4.7
149.02422	1.0
149.04912	0.9
149.06091	19.5
150.03232	1.7
151.04068	1.9
160.01677	34.4
161.02477	6.0
161.06122	0.8
162.03246	3.7
163.04004	1.6
175.04021	51.8
176.04605	1.7
177.05574	2.3
178.02736	28.9
179.03517	13.5
192.04283	3.0
193.05074	68.2
194.05440	3.1
207.06636	3.1
235.36990	0.9
242.27570	0.9
282.13522	0.9
309.11432	1.4
341.10400	1.4
342.11191	8.9
343.11731	3.0
345.13574	0.9
353.10364	3.5
356.12537	3.3
357.13440	15.5
365.18610	1.0
368.12781	0.9
371.11383	1.1
383.15002	1.2
397.12869	4.3
411.14542	2.3
503.17178	12.8
504.17230	1.2
505.18979	4.0
517.18799	3.4
535.19525	1.4
553.20868	9.4
554.21460	1.0
605.20520	0.9
711.25128	1.4
729.25647	41.6
730.26160	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	729.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.8
61.98835	20.1
70.42827	3.8
71.01382	8.6
76.71627	2.2
85.02944	3.2
89.02469	2.9
106.06628	5.4
113.02441	2.9
119.03456	2.7
121.02902	2.4
122.06112	4.2
134.06149	31.2
152.07201	2.9
161.04532	2.8
167.99718	2.3
174.90324	2.8
191.05698	2.8
198.02248	2.5
204.11650	2.4
236.92850	2.5
253.09818	6.7
254.10582	2.7
255.11493	12.7
384.13498	3.9
386.15189	5.7
400.16327	5.3
401.17361	5.0
402.18329	5.9
428.16147	7.9
446.17053	4.3
488.18228	7.8
519.63141	2.5
523.23688	2.9
548.19299	3.4
607.21777	27.7
729.27777	100.0
730.28070	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	729.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78147	0.5
59.01379	1.9
61.98830	1.7
67.08384	0.5
68.15703	0.5
69.17137	3.4
71.01393	1.4
72.99318	4.1
73.61732	0.5
75.00880	100.0
76.01232	0.9
85.20687	0.5
89.02461	1.1
98.22751	1.0
100.54760	0.6
101.02430	1.3
197.89938	0.5
217.58107	0.6
235.08180	0.8
255.23242	4.3
267.55029	0.5
382.61655	0.6
397.13586	7.4
415.15256	1.0
464.38272	0.6
527.45966	0.6
609.04999	0.6
653.37744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	7.2
70.87864	2.6
72.23499	1.8
156.82599	1.8
206.04076	1.8
343.79889	2.3
526.14935	3.2
601.19946	4.6
687.22968	3.8
730.23755	100.0
731.24249	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	730.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30955	1.5
57.87037	1.5
59.01382	35.6
61.98837	34.2
68.30590	1.5
69.11501	10.7
70.79003	1.4
71.01390	20.9
85.02946	5.8
87.00869	2.6
88.00707	1.4
88.98814	1.9
89.02444	12.8
95.01337	1.6
96.96008	1.7
99.98201	1.5
101.02457	9.1
106.06597	1.9
109.93150	1.5
113.02453	8.2
118.60492	1.6
119.03500	3.6
121.02959	2.7
121.05363	8.7
122.06122	4.4
128.03506	1.6
132.04558	11.8
133.02922	3.4
134.06140	14.6
135.04546	7.2
136.07721	1.7
137.02455	3.4
149.01053	1.4
150.03209	2.5
150.05630	3.9
152.07184	6.6
158.02504	2.6
160.04041	3.7
161.02431	2.9
161.04460	2.0
164.07210	1.9
165.05457	1.9
173.04506	2.4
176.03497	4.1
177.01920	4.0
179.03500	5.8
180.03830	2.0
190.05127	10.4
191.05679	5.0
192.06725	11.1
223.08728	4.0
235.08888	2.6
239.08507	1.7
247.08733	1.7
251.11865	1.9
252.08827	2.1
255.02876	2.2
263.08185	2.8
277.09637	1.8
279.11325	3.9
280.08551	4.1
284.03485	1.9
285.04007	5.0
291.07751	10.7
293.09045	2.9
294.10229	1.6
295.10825	6.2
306.10049	3.0
308.07626	2.5
309.08810	3.6
309.12378	1.9
311.10529	2.1
323.10352	31.0
324.10757	1.7
325.11603	1.8
327.13559	2.2
337.12030	8.9
337.15430	1.7
338.12735	22.9
339.13464	4.5
340.14221	2.7
357.14551	4.7
386.14993	1.7
503.16769	2.2
505.86108	1.6
517.18475	4.0
518.19031	27.8
518.26361	2.6
519.19293	2.4
533.29608	2.9
598.31580	2.0
622.24689	3.7
639.24677	1.7
654.27014	5.8
686.29260	13.5
698.25543	9.0
730.28369	100.0
731.28949	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	730.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.77419	0.5
74.22792	0.2
240.26805	0.3
342.76678	0.2
439.44095	0.3
473.56747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53598	1.1
53.89037	0.9
55.01873	1.1
56.37002	0.9
57.03451	3.0
59.01385	64.2
60.64604	1.0
63.12738	0.9
68.87395	1.0
69.03459	12.0
69.69450	3.4
71.01389	48.0
72.99274	1.1
73.02954	5.6
75.00896	1.4
81.03460	2.7
83.01398	2.8
83.05029	16.8
85.02964	12.2
87.00872	6.2
87.04517	2.6
89.02453	35.4
90.36682	0.9
93.03465	2.8
95.01402	3.7
95.05045	1.7
97.02943	2.5
99.04507	1.3
101.02448	29.6
107.04943	1.0
109.02971	3.1
111.00873	1.9
111.04526	14.9
112.01676	9.6
113.02457	54.2
119.03522	17.0
123.04515	5.2
123.44225	1.0
125.02467	4.3
125.06111	1.0
127.04069	5.4
131.03516	24.4
133.05080	3.2
137.02480	4.9
139.04042	1.4
141.05589	2.0
143.03546	3.2
155.03522	6.7
161.04591	7.1
167.03532	8.4
173.04608	5.4
179.03398	0.9
179.04008	1.6
179.05606	19.4
185.04582	1.3
188.87436	1.1
239.05597	1.0
275.07751	100.0
276.08054	3.0
293.08820	60.0
294.09088	1.8
317.08823	24.2
329.08850	3.0
335.09790	1.7
338.76273	1.0
347.09879	7.5
365.10895	2.5
377.10925	4.1
389.10861	1.4
395.11920	5.7
455.13831	2.3
551.16174	16.8
569.17273	80.8
570.17816	4.1
593.17169	11.5
623.18085	4.1
641.19409	2.1
652.31415	1.2
653.19092	1.6
671.21399	1.2
730.38770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.9
59.01384	50.9
59.95787	1.7
69.03460	10.4
69.10022	9.8
69.10422	3.0
71.01389	39.0
73.02960	4.0
79.71034	2.0
81.03429	2.0
83.01408	2.4
83.05031	17.0
85.02958	13.0
87.00888	7.7
87.04517	2.8
89.02452	36.1
93.03474	4.3
95.01411	2.8
95.05015	1.9
97.02976	3.1
101.02454	26.8
105.71234	1.9
109.02987	2.1
111.00877	3.0
111.04514	16.8
112.01666	9.1
113.01711	3.7
113.02468	49.8
119.03526	15.3
120.01101	1.8
121.02903	1.6
123.04558	3.0
127.04028	4.8
128.57115	1.6
129.24695	1.7
131.03523	14.9
133.05112	4.8
137.02446	5.8
143.03543	2.4
155.03516	6.9
161.04562	7.6
162.81537	1.8
167.03514	6.7
173.04520	6.3
179.05653	17.4
275.07751	100.0
276.08035	3.3
282.62637	1.9
293.08804	58.5
317.08795	20.3
323.13623	2.0
329.08887	3.5
347.09781	7.6
368.61066	1.9
377.10812	5.5
395.11850	4.9
425.40686	1.9
455.14288	4.8
551.16205	15.3
569.17297	74.9
570.17676	4.4
593.17377	11.1
623.18390	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	731.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.1
59.01384	79.0
69.03465	15.5
69.56998	9.9
71.01386	64.7
73.02966	9.2
75.48002	2.1
80.79874	2.3
83.01393	4.3
83.05031	20.2
85.02948	16.3
87.00900	13.0
89.02454	54.2
93.03466	5.5
95.01383	3.9
97.02901	2.6
98.22621	2.4
101.02433	30.8
111.00861	3.1
111.04543	21.4
112.01671	9.1
113.02458	72.0
119.03526	18.0
123.04533	6.8
125.02462	3.6
127.04033	3.7
131.03513	30.4
135.04488	3.5
137.02487	7.1
153.70096	2.7
155.03513	8.0
161.04562	10.1
167.03514	10.1
173.04520	5.9
179.03516	2.9
179.05606	20.0
275.07751	100.0
276.08011	3.2
293.08832	65.1
306.47980	2.9
317.08807	22.9
329.09052	3.7
347.09836	10.2
359.09946	2.6
363.69281	2.8
377.10641	4.4
395.12033	5.3
455.14059	10.6
551.16492	20.9
569.08490	4.5
569.17316	74.3
570.17786	5.2
593.17395	8.6
623.18585	2.7
731.22449	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	731.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
59.01384	36.7
64.18633	1.0
69.03456	12.6
69.10355	7.2
71.01021	1.8
71.01387	25.2
73.02956	3.1
83.01411	2.3
83.05026	1.3
85.02959	20.6
87.00884	5.1
87.04516	1.8
89.02457	19.9
95.01395	8.1
97.02928	2.2
99.00905	1.7
101.02454	12.5
111.04539	3.2
112.01674	1.6
113.02464	61.4
115.04044	1.4
117.73029	1.0
119.03497	7.9
123.04540	1.9
125.02426	1.6
131.03522	6.7
133.05048	2.7
137.02510	1.0
155.03508	1.8
161.04578	3.5
275.07675	3.0
293.08789	24.9
334.71872	1.1
437.12729	1.5
455.14017	8.9
481.97916	1.1
673.86322	1.3
731.22522	100.0
732.22687	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	731.2581
Annotation	Ilicifoline
Peak:m/z	Relative Intensity
56.82196	2.5
59.01386	100.0
61.98828	4.3
65.14890	2.1
66.24611	2.2
71.28783	4.1
106.17498	2.6
108.89870	2.7
116.92854	2.8
117.74232	2.6
123.78082	2.4
138.38754	2.4
155.40369	2.4
338.38843	2.9
539.15668	5.1
548.78333	2.4
553.17218	7.5
597.19629	2.9
598.21124	13.4
616.17975	2.5
671.23523	13.0
672.23138	2.9
731.25867	77.4
732.26031	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	731.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77965	3.7
58.79889	3.2
59.01385	100.0
61.56700	3.7
61.98834	9.5
71.45372	2.9
74.90875	3.4
78.95876	4.7
83.45985	3.3
99.03045	3.3
100.43802	3.3
103.47849	3.3
121.43631	3.3
141.01305	3.4
179.75928	4.2
224.85529	3.7
299.34705	3.3
447.43500	4.0
535.97040	4.1
539.15936	4.1
553.17285	6.8
598.20490	9.6
630.19092	3.8
671.23053	17.6
731.25873	81.0
732.26062	10.8
739.15869	4.4
743.71368	4.4
759.54309	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	731.379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85999	10.0
61.98824	21.4
63.52895	10.4
79.87899	10.7
87.20210	11.4
105.39031	11.5
206.03679	12.1
209.11827	100.0
212.15045	11.4
226.56090	11.7
227.12807	13.6
249.18611	66.1
731.37408	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01529	0.3
59.01384	0.5
61.98836	100.0
69.72021	0.9
69.72366	0.4
70.80455	0.3
80.91739	0.4
133.02895	0.4
191.05780	0.4
218.09427	0.3
255.06598	0.4
262.24039	0.3
478.07822	0.3
554.21350	0.7
727.16193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98835	100.0
69.14039	0.8
71.01381	0.2
84.34171	0.1
85.02982	0.1
89.02451	0.2
94.62109	0.1
98.21705	0.1
101.02444	0.2
111.06022	0.1
134.03798	0.1
135.04549	0.2
303.32507	0.1
316.06750	0.1
370.17639	0.1
373.39542	0.1
438.24759	0.1
479.49841	0.1
732.41217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	4.3
61.98839	15.7
68.17118	2.3
69.16958	2.5
70.20927	5.6
89.02420	3.1
93.03481	6.5
108.02162	2.5
121.02930	12.4
122.03780	19.1
123.04553	3.4
132.02208	2.4
133.02951	4.1
134.03758	6.3
135.04541	6.6
136.01724	3.4
145.02956	6.9
146.03723	5.8
147.04541	9.2
149.02472	25.4
149.06113	8.5
150.03244	100.0
151.03853	3.6
159.04526	4.5
161.06097	5.1
163.04008	5.8
164.04797	8.3
165.05592	85.2
166.06277	3.2
177.01796	2.4
177.05597	3.9
178.06310	2.3
179.03606	3.5
179.07141	6.4
180.04230	6.5
181.05156	2.2
195.06651	39.6
207.06607	5.7
223.09776	3.8
237.07800	2.7
240.04277	8.5
255.06625	5.3
265.04880	2.6
266.05771	3.7
267.06680	5.0
268.07385	2.9
269.08197	3.6
270.08807	4.9
281.08289	4.3
281.65964	2.6
282.08817	3.6
283.09750	4.1
293.08408	3.5
295.06168	11.0
298.08566	4.9
310.08594	5.0
311.09082	2.6
313.10904	9.7
314.11667	3.5
325.10791	10.1
326.11591	5.3
329.13858	7.6
339.12442	3.4
341.13925	3.8
343.11948	10.7
344.12387	2.6
373.12805	8.1
459.91974	2.7
474.16681	2.9
475.17523	3.9
477.19290	14.3
489.19196	15.1
505.18430	3.0
507.20270	7.0
519.20367	18.7
544.33820	2.7
561.21271	3.5
573.21039	4.6
581.39508	2.9
610.22162	3.7
625.24402	11.1
637.24426	14.5
655.25751	20.1
656.25775	3.3
667.25574	29.1
673.26453	4.0
679.25317	7.3
685.26465	21.4
686.27155	3.7
697.26227	4.9
703.27582	14.9
715.27228	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	733.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41611	1.0
59.12269	1.0
61.98832	7.8
62.78250	1.0
75.00867	1.3
80.43310	1.3
81.25034	1.0
83.74610	1.1
99.92598	10.9
102.64519	1.2
112.98999	1.1
116.92873	100.0
117.01917	1.2
117.92931	2.1
161.48621	1.4
174.30171	1.3
223.84639	1.3
282.49686	1.2
299.39642	1.1
306.81253	1.3
570.78754	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	734.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37487	0.4
59.01379	4.1
60.01730	0.5
61.98836	100.0
62.39576	0.5
69.61404	0.8
69.61794	1.2
106.30933	0.4
513.27948	0.5
611.17682	0.6
674.23621	0.6
691.33264	0.6
734.25037	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	734.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.7
59.01387	48.1
65.69931	1.6
69.03442	6.9
69.12247	7.0
69.12650	4.4
71.01390	35.2
72.99392	1.7
73.02946	3.4
81.03458	1.8
83.01383	3.8
83.05029	22.8
85.02964	10.1
87.00884	5.8
89.02451	31.3
93.03470	8.1
95.01422	2.5
99.04527	2.1
101.02451	38.1
103.70378	1.7
109.02965	4.3
111.00907	3.4
111.04533	25.4
112.01665	2.4
113.02464	32.2
119.03502	17.9
123.04524	6.1
127.04083	1.9
130.69693	1.7
131.03525	13.7
137.02469	8.7
143.03487	2.8
147.04497	2.1
155.03505	9.3
159.03009	1.6
161.04558	5.5
164.07109	3.0
167.03516	4.6
173.04593	2.2
179.05641	12.1
185.04565	3.5
195.82918	1.8
212.70441	1.9
275.07739	31.7
293.08807	100.0
317.08807	62.1
318.08926	1.9
335.09952	2.1
347.09869	28.8
365.10886	3.5
377.10983	10.0
389.10577	2.0
395.11841	5.8
404.02890	2.9
407.11945	15.1
431.12036	7.2
455.07632	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	734.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	9.8
61.98832	29.2
70.64797	3.9
73.09956	2.4
73.86359	2.3
108.02122	3.6
121.02908	3.1
136.01686	40.0
137.02461	2.5
139.04050	4.8
151.04010	65.8
162.58472	2.7
179.03612	2.4
195.06786	2.3
271.09747	2.6
342.10934	3.9
357.13455	100.0
358.13730	5.0
501.17621	7.7
544.88226	2.7
733.45892	13.3
734.29028	10.2
734.45911	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	734.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.8
61.98833	100.0
71.01380	3.4
73.02964	3.1
74.87254	3.2
82.89733	2.7
96.48523	3.4
101.02441	3.5
103.16405	3.0
105.38592	3.4
109.56285	3.0
121.02977	6.0
135.04524	4.5
139.04047	4.0
144.65018	2.9
148.28378	3.0
150.03194	7.4
150.42361	3.5
151.03931	3.3
163.04015	3.4
165.05638	3.6
175.04065	3.7
177.05400	3.6
179.03519	3.8
188.57162	3.3
240.04373	3.4
251.06819	3.0
269.04538	5.0
269.08133	5.2
277.49265	3.0
279.06665	4.9
281.08228	7.9
294.08975	4.2
295.05804	3.6
297.07635	14.3
298.08295	3.7
309.07584	31.3
309.11295	12.2
312.10010	21.7
313.10864	5.2
323.09384	5.1
324.10062	27.4
325.10895	4.9
326.11130	4.0
327.12384	90.9
329.14011	5.4
339.12357	89.4
371.03339	3.6
403.89685	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	735.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81107	1.8
55.01883	2.6
57.03455	4.6
58.02997	2.6
59.01380	32.0
60.49916	2.0
61.98827	2.3
62.23290	1.7
63.52879	1.9
65.65240	1.9
69.72945	4.2
71.01390	22.1
72.99295	1.8
73.02959	7.6
74.02479	3.5
83.01399	6.9
83.99458	1.7
85.02946	12.7
86.00110	2.0
87.00912	2.1
89.02439	12.0
93.03481	5.6
95.01380	3.4
96.96021	4.0
98.22002	2.8
99.30774	1.8
101.02457	21.4
107.08324	2.2
113.02461	8.3
114.02186	1.9
121.02972	17.5
122.03775	17.0
123.04568	2.9
125.02451	2.3
133.02948	6.8
135.04547	5.3
137.02470	2.7
147.04556	2.7
149.02467	43.5
149.06192	2.6
150.03239	100.0
151.03860	3.8
161.02443	3.7
161.04491	2.8
162.03195	4.0
162.19954	1.9
164.04749	13.8
165.05585	80.2
166.06358	31.4
167.07147	3.6
175.04028	8.3
177.05606	5.6
178.14917	1.7
179.05585	2.5
180.04311	4.0
181.05132	2.1
181.08691	28.6
195.06636	38.3
203.08354	6.0
245.09393	12.4
266.05972	2.2
269.08163	4.7
270.08917	3.1
298.08496	4.1
313.10739	7.9
314.11786	3.2
329.13962	8.6
343.13907	50.5
373.13095	2.4
391.13983	3.4
482.99200	2.1
491.19263	51.6
492.19330	4.8
539.21313	31.6
540.21411	2.5
558.98492	2.2
583.09631	2.2
687.26617	60.4
688.27026	4.1
717.26855	2.8
735.28876	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	735.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.7
61.98832	25.4
71.01369	2.0
88.98824	1.9
93.03455	4.6
93.62939	2.1
105.48186	1.9
108.02197	2.7
109.02948	3.6
111.24203	2.2
121.02969	13.0
122.03748	20.6
123.04547	4.5
130.05054	1.8
132.02219	2.3
133.02983	4.2
134.03745	10.1
135.04491	3.6
136.01678	2.6
145.02972	4.0
146.03766	7.4
147.04530	6.9
149.02446	18.9
149.06099	10.6
150.03233	100.0
151.04027	4.5
158.03787	3.3
159.04590	2.6
161.02400	3.0
161.06071	3.5
162.03246	3.8
164.04805	8.0
165.05571	85.0
177.05573	2.5
177.67871	1.9
179.07103	5.5
180.04280	4.8
181.05038	3.1
195.06609	29.9
205.54803	1.8
240.04169	2.1
254.05840	6.1
255.06738	4.1
265.04837	2.2
266.05948	3.3
267.06641	2.4
268.07330	3.3
269.04889	3.2
269.08127	6.4
276.13440	2.0
280.07428	3.2
281.08206	2.9
282.08972	5.7
292.07739	2.1
294.09195	2.5
295.09796	11.0
296.10522	2.3
297.11340	2.7
308.10321	2.4
309.11313	4.0
313.10770	6.8
325.10535	3.9
327.12128	2.9
335.83847	2.1
361.16583	2.5
436.70364	1.9
449.16055	3.6
463.17783	2.7
475.17947	2.1
479.17307	2.8
493.18814	2.9
494.19562	7.1
495.19049	2.3
507.20374	5.1
509.21799	30.4
521.21753	40.7
522.22461	2.8
523.23260	5.6
563.22833	6.8
575.22760	4.6
597.21973	2.4
657.27045	26.5
658.27399	2.4
669.27106	45.1
670.27264	5.5
681.27222	10.4
687.27893	19.1
699.28015	6.4
705.29028	20.4
706.29706	2.2
717.29803	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	735.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02472	11.9
54.28279	10.4
55.19875	10.3
59.01369	11.3
61.98835	100.0
67.81609	11.3
75.80078	9.1
77.39222	10.1
78.95917	11.0
86.89725	10.6
92.14720	12.1
92.92816	48.6
92.97513	18.1
96.33123	10.5
105.80785	11.1
111.75182	10.5
145.06187	13.6
160.30904	11.3
447.25970	21.7
461.27115	27.3
475.24170	15.1
488.28326	35.2
490.26385	39.6
493.26163	28.9
497.24365	13.3
513.22552	25.8
515.24860	56.2
530.24237	16.5
545.25763	53.8
546.25378	34.4
576.25989	57.7
615.30951	63.1
616.29248	18.0
659.30023	62.0
677.20038	25.5
691.32062	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
59.01387	17.2
60.90617	0.7
69.03461	2.1
69.09935	4.9
71.01387	13.2
72.99310	3.5
73.02950	5.1
83.01392	1.4
85.02961	3.3
88.98812	2.6
89.02455	12.5
93.03468	56.1
94.03783	1.1
97.02950	3.6
99.00892	12.3
101.02448	4.0
109.02956	1.0
113.02467	4.4
116.05029	1.3
124.68641	0.8
125.02464	4.1
130.06644	5.7
131.03665	2.5
137.02457	100.0
138.02792	2.6
142.06644	1.7
144.04565	6.2
144.08182	1.1
146.06128	28.4
149.04572	1.0
156.08231	2.0
158.06091	4.1
160.07710	4.9
170.06131	1.9
172.07674	1.2
174.05582	1.0
174.09314	2.3
182.06041	1.3
186.05623	1.1
188.07167	6.8
190.05203	4.1
191.05605	2.7
200.07208	4.8
202.08714	1.5
210.09256	1.6
212.07233	1.6
218.08179	1.4
228.10307	1.2
230.08228	3.0
254.08232	2.5
422.14621	1.8
440.15622	2.1
554.18781	3.3
598.17822	15.1
616.18719	1.2
692.22131	8.4
736.21008	78.3
737.21161	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	736.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.2
61.98833	40.0
76.54654	1.8
80.35829	1.9
120.74494	2.2
121.02947	4.7
137.02454	3.1
139.04016	5.2
150.03203	2.6
161.02480	2.1
165.05533	2.6
179.03607	2.4
269.04691	3.4
269.08163	14.7
281.08295	3.5
283.09668	4.3
299.09106	9.9
310.12149	3.6
311.09283	12.9
314.11627	21.6
326.11517	15.3
327.12320	6.3
329.13925	100.0
330.14172	6.4
339.12347	3.0
341.13919	55.7
342.14481	4.4
359.15048	3.3
371.15250	5.1
383.15057	3.9
742.77448	2.2
761.19385	2.4
766.23596	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	736.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77410	6.1
59.01368	8.0
61.98833	7.6
69.10333	32.6
69.10747	9.4
72.79321	5.5
78.95881	5.8
84.04581	6.6
102.05631	30.5
102.06203	5.3
106.06624	8.4
128.03545	25.5
146.04625	40.0
195.22101	5.7
246.90012	5.8
432.23105	7.4
441.04770	6.0
447.25571	15.5
449.27042	9.8
467.04214	6.1
471.21878	7.4
475.24976	7.2
487.25076	24.2
493.26044	14.5
500.22763	10.0
513.23035	25.2
515.24670	37.3
528.31122	20.2
535.23669	10.2
542.25684	7.3
545.25684	23.7
557.28180	23.4
572.30524	34.3
598.28467	15.6
601.26917	9.8
616.29260	78.6
617.29449	9.5
642.27045	19.3
648.32220	7.5
660.28387	100.0
692.31500	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.2
57.03444	4.1
59.01386	85.7
61.98840	43.1
66.43530	3.0
71.01386	45.0
71.41964	4.0
73.02953	19.3
77.01100	3.4
79.00659	3.5
81.11008	3.6
83.01405	15.9
85.02969	26.1
85.30836	3.8
85.55250	3.4
87.33245	4.9
89.02469	11.1
96.96030	7.2
99.00970	4.0
101.02456	60.0
113.02457	23.2
116.92877	4.2
119.03497	4.0
161.04575	15.9
176.37900	3.9
192.26395	4.0
471.31177	16.6
531.33362	59.4
633.36707	7.2
693.38525	100.0
694.38794	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	737.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.6
62.75429	0.7
64.87746	0.7
69.82405	0.9
69.82735	1.6
71.01384	2.0
74.71007	0.5
89.02435	1.2
92.31537	0.6
102.01606	0.6
116.05065	9.2
118.03011	9.5
119.03516	0.9
120.04527	1.0
128.05063	1.2
130.06633	10.3
131.03749	1.6
132.04544	2.4
132.08234	1.2
134.06166	4.9
134.56604	0.8
142.06670	3.6
144.04561	100.0
145.04909	2.7
146.02493	42.1
146.06120	2.2
147.02838	0.9
148.07739	1.6
157.05351	1.7
158.06116	30.0
159.06483	1.4
160.04042	5.7
161.04532	0.7
162.05621	8.4
174.05617	4.1
176.07187	20.4
186.05614	11.3
188.03506	2.5
204.06656	26.2
205.07031	1.0
230.04591	5.3
299.15527	0.6
306.09836	2.1
308.07806	8.3
322.14786	0.7
324.10733	1.0
350.08817	15.8
351.09106	0.9
368.09866	86.0
369.10236	5.9
559.53528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79911	1.5
57.21522	1.8
59.01385	5.1
65.43857	1.7
65.70562	1.7
71.01381	5.2
71.43334	2.3
85.02946	3.6
96.96030	2.0
101.02445	3.2
109.71584	2.0
135.04478	1.9
143.20695	1.9
149.02469	3.9
150.03209	5.5
165.05562	6.3
181.08730	3.1
191.05583	5.5
195.06685	2.1
245.91510	2.0
329.13837	3.4
370.13809	1.8
370.19070	1.6
390.88562	1.8
422.97470	1.8
491.19336	25.3
539.21375	100.0
540.21680	6.3
737.24402	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	737.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01782	2.7
59.01376	6.8
69.59283	8.7
89.02414	3.0
101.02427	5.5
103.30507	2.9
104.37050	3.2
119.76710	3.2
123.58676	3.6
141.29411	3.6
172.82497	3.5
179.10809	6.4
197.10162	6.0
197.11853	72.4
277.21655	24.5
440.46457	3.5
518.79242	3.2
587.07050	3.2
737.41241	100.0
738.41730	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	737.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.6
61.98816	6.1
69.03461	4.0
69.38683	14.7
93.32037	2.5
93.72801	4.1
101.02436	5.0
151.11275	3.7
161.09717	3.8
179.10762	7.7
191.89497	2.9
197.11862	43.7
277.21753	63.2
350.57635	3.4
445.43359	3.0
737.41241	100.0
738.41400	9.1
756.21783	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	737.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16521	2.7
53.32874	2.8
55.01892	6.2
57.03447	4.5
59.01386	93.6
61.98837	24.9
64.89812	3.3
71.01392	54.3
71.47655	2.9
72.80877	2.8
73.02954	22.7
83.01393	16.1
85.02959	30.2
89.02462	11.5
95.01401	4.1
99.00903	6.4
101.02458	70.5
113.02454	25.1
161.04594	28.0
248.69691	3.0
398.12234	3.1
455.31683	4.5
515.33832	100.0
516.33936	8.5
677.39172	96.7
678.39508	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	737.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09330	0.1
58.03010	0.1
59.01385	15.6
59.45245	0.1
64.13771	0.1
67.54189	0.1
72.22612	0.1
74.15856	0.1
75.56985	0.1
81.03467	5.0
81.03951	0.3
82.06643	0.3
83.05033	14.0
84.05368	0.2
86.62423	0.1
95.17146	0.1
98.22643	0.3
107.06182	0.3
108.04562	0.4
125.07219	0.8
126.05627	0.3
143.08279	0.5
201.50137	0.1
207.15047	0.9
224.17697	2.2
225.16100	12.9
226.16409	0.6
242.18730	0.6
243.16997	0.1
250.15669	0.2
251.14151	0.2
268.16653	0.2
290.22305	0.2
291.20688	0.1
309.21863	0.8
324.26605	0.4
333.22940	0.7
339.27634	0.2
341.29352	0.9
350.24597	0.2
351.23926	0.2
367.27164	1.2
385.28403	0.2
433.31882	1.1
450.34586	1.4
451.32935	8.1
452.33231	0.7
468.35770	0.2
535.38611	0.2
550.43451	1.1
551.44202	0.2
559.39856	0.5
565.44745	0.3
584.02911	0.1
593.43597	0.6
659.48547	2.2
660.48975	0.3
677.49713	100.0
678.50018	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	738.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.1
61.98833	100.0
62.98526	0.1
69.37859	0.1
77.58121	0.1
96.35320	0.1
113.64021	0.1
117.08138	0.1
118.95638	0.1
151.07109	0.1
315.46454	0.1
399.14084	0.2
521.05829	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
59.67220	0.3
61.98834	100.0
69.24718	1.0
69.25130	1.0
98.22626	0.8
102.95760	0.3
107.20587	0.3
112.10027	0.4
159.80608	0.3
279.23154	0.7
350.44461	0.3
637.07288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5085
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
64.55860	7.8
78.95903	37.7
86.14635	8.8
86.62262	8.6
91.72697	7.9
113.05897	7.8
138.14830	7.8
142.46889	7.7
152.99573	17.7
177.77509	7.8
197.87894	9.6
264.27069	9.4
279.23297	100.0
313.84067	8.8
365.74557	9.6
738.50934	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17199	1.1
59.01379	3.5
61.98829	4.5
69.03446	1.4
81.03458	2.8
83.01413	5.2
83.05025	2.5
85.05451	1.1
89.03976	3.7
92.65188	1.3
93.03425	1.6
95.05040	2.1
97.02982	2.6
108.02225	1.7
109.02967	26.2
117.03449	1.3
121.02945	2.2
122.03754	1.4
123.04539	13.0
125.02470	16.6
132.02165	1.5
133.02997	10.8
135.04509	2.3
137.02463	22.0
139.04031	2.5
145.02975	2.7
146.03743	2.0
149.02425	4.1
150.03238	3.3
151.04016	10.0
159.04512	2.7
161.02458	25.5
161.06073	4.5
162.03154	2.1
164.01151	3.0
165.01929	3.7
167.03540	1.1
175.04005	2.9
176.01151	3.0
177.01949	100.0
179.03493	3.6
187.04016	3.4
188.04811	2.3
189.01996	9.0
201.01897	2.1
201.05560	2.4
202.06281	2.5
203.03537	4.5
203.07164	9.7
205.01355	1.6
205.05052	6.7
215.03391	2.5
216.00684	3.6
217.01460	6.1
221.08171	2.4
225.05664	1.5
225.15944	1.6
227.03549	5.8
229.01384	4.8
239.03668	1.8
245.04517	2.8
245.08228	12.0
247.06102	1.4
257.04514	2.0
269.04611	8.1
279.02979	2.1
281.04550	2.9
283.02307	1.2
283.05869	1.5
287.05692	9.6
289.07199	54.4
290.07306	1.5
295.06003	2.8
297.03955	2.1
299.05505	3.1
307.02573	2.3
308.03232	1.3
321.04105	5.6
325.03516	4.6
329.06665	1.6
337.07013	1.7
339.01294	2.3
339.05133	32.2
366.50043	1.5
407.07639	2.0
417.06009	5.2
433.09500	2.3
435.07199	14.3
449.08798	18.0
451.10443	8.5
459.07376	9.4
463.86105	1.2
477.08136	2.6
569.10980	9.5
577.13690	3.1
587.12006	20.7
629.12982	2.0
635.98706	1.4
678.50049	17.1
679.50482	4.5
739.16486	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	739.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	12.6
59.01385	20.3
61.98826	3.1
71.01384	11.7
73.02951	5.7
79.93808	2.1
81.03464	3.9
83.01396	5.7
85.02950	3.0
89.02466	15.9
89.03986	3.8
90.52975	2.2
93.03458	3.5
95.05013	2.6
97.02940	5.8
98.22785	4.3
99.00893	7.1
101.02442	7.0
105.03479	2.5
107.01410	2.8
108.02172	3.2
109.02962	47.1
113.02431	3.1
117.03472	4.8
121.02971	5.5
123.04549	21.4
125.02465	89.3
126.02831	2.0
127.96593	2.2
133.02972	17.4
134.03745	3.7
135.04555	7.1
137.02469	29.6
139.04013	4.3
145.02940	2.6
146.03706	4.2
147.04462	2.3
149.02477	4.6
149.04567	6.4
150.03249	4.8
151.00395	2.3
151.04019	17.3
159.04546	6.2
161.02458	53.0
161.06027	6.0
162.03183	7.8
163.04068	4.2
164.01216	3.8
165.01892	4.9
165.05553	3.7
167.03444	2.6
173.02339	2.5
175.04070	5.3
177.01953	100.0
179.03514	7.1
184.96788	2.1
187.04012	7.0
188.04819	3.8
189.01906	21.2
190.02751	6.7
191.03505	5.9
191.05756	3.3
197.04613	3.0
201.05522	4.9
203.03539	5.7
203.07143	8.0
205.01434	4.1
205.05067	5.9
211.34892	2.2
216.00662	5.9
217.01439	11.5
219.02852	3.9
227.03490	7.3
227.07224	4.8
228.04185	3.0
229.01445	2.9
229.05077	4.4
230.05850	2.4
231.03027	5.4
239.03340	4.3
243.03018	3.1
245.04559	8.7
245.08054	14.9
253.05078	4.5
254.05727	2.9
255.03098	14.3
255.05554	2.6
255.06354	2.1
256.03815	5.9
257.04706	3.4
268.03818	5.7
269.04572	51.3
279.02960	2.8
280.03510	2.5
281.04565	20.8
282.05298	5.2
283.06033	2.5
285.04169	4.5
287.05682	47.9
289.07227	70.9
290.07535	3.1
297.04218	2.7
297.07532	5.2
299.05618	17.9
307.02588	2.9
308.03180	8.6
311.05634	4.4
323.05518	2.4
329.06900	3.5
339.05121	3.8
341.06738	46.2
381.06137	3.0
389.06601	2.5
391.08301	6.2
407.07727	35.1
409.09320	2.3
433.09558	19.0
435.07227	22.7
436.06934	2.6
449.08752	9.8
451.10458	37.5
452.10635	2.3
459.07312	29.4
461.08545	3.7
503.09903	8.1
543.12811	3.8
559.12427	7.7
569.10992	48.2
570.11145	4.1
577.19336	3.7
587.12103	29.7
588.12054	3.4
611.11987	4.6
613.13361	8.3
629.12750	4.5
739.18207	24.7
739.31201	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	739.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	15.9
59.01383	2.8
70.85565	2.5
74.02476	4.5
79.34550	1.4
83.01391	4.5
89.03968	1.8
93.03454	4.0
95.05051	3.0
105.03473	1.8
108.02208	2.9
109.02963	41.8
116.24144	1.4
119.05029	2.8
121.02942	3.9
122.03799	2.3
123.04535	19.0
125.02465	100.0
133.02988	18.0
134.03746	4.7
135.04526	7.0
137.02473	18.8
139.04077	2.9
145.03015	2.4
146.03725	6.4
147.04549	3.2
149.02451	5.9
150.03232	4.7
151.04028	18.8
159.04541	3.8
161.02455	54.7
161.06099	5.9
162.03233	5.1
163.00415	2.8
163.04034	6.2
163.20065	1.4
164.01186	4.2
164.04811	4.5
165.01920	5.7
165.05524	1.9
175.03978	6.5
176.01120	2.1
177.01953	83.2
178.02332	2.4
179.03523	4.1
179.07133	4.4
183.04594	1.5
185.02461	2.2
187.03992	6.4
188.04701	2.6
189.00282	1.8
189.01956	28.2
189.05551	2.3
190.02695	10.0
191.03474	5.9
201.05534	4.2
202.02699	3.4
203.03452	6.8
203.06813	3.6
203.08492	3.4
205.05000	3.8
213.05583	4.1
215.03528	4.3
216.00667	6.6
217.01418	11.1
219.02969	5.9
225.05675	2.2
227.03491	17.3
227.07130	4.0
228.04204	2.8
229.01425	4.1
229.05096	3.8
230.02116	1.8
231.02950	4.7
237.05536	2.5
239.03654	2.1
240.04286	2.6
241.05040	2.8
245.04529	22.7
245.09149	7.4
247.06131	1.9
253.04918	1.6
255.02983	23.0
255.06686	4.0
256.03760	2.3
257.04565	5.7
267.02792	1.7
269.04596	9.2
280.03726	3.4
281.04617	15.6
282.05237	3.8
283.02628	11.3
283.05615	3.0
284.03271	20.4
285.04074	32.7
286.04495	1.9
287.05637	14.6
288.05585	1.5
289.07205	33.1
297.04172	2.4
297.07602	6.2
298.05090	2.3
299.05579	8.1
308.03326	11.2
311.05359	2.3
321.04037	3.3
323.05640	2.9
325.03470	2.2
326.04294	2.5
329.06714	1.5
333.04150	1.9
339.05057	18.4
339.08817	3.0
341.06702	52.6
342.06940	1.9
353.06552	1.9
364.65656	2.1
381.05969	2.5
383.07388	2.1
389.06583	1.8
391.08319	11.8
393.06155	2.3
407.07413	8.2
415.08243	2.0
417.06122	4.2
431.09888	60.3
432.10245	2.3
433.09131	8.2
435.07175	25.1
436.07617	1.9
449.08630	9.7
451.10376	21.3
459.07251	35.6
461.08722	7.0
477.08566	4.7
501.12146	2.2
503.09924	11.1
543.13397	8.8
569.10986	62.6
570.11420	3.9
577.19507	12.4
585.14819	2.0
587.12006	51.8
587.21307	2.7
588.12592	2.5
611.11804	4.0
613.13586	6.9
629.12762	4.9
695.18616	2.3
721.15710	3.1
739.16577	28.1
739.28491	2.7
740.17633	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	739.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
61.98825	1.4
63.02395	1.8
65.00340	1.1
66.42709	0.3
68.25204	0.3
69.29631	0.7
69.30037	1.5
71.01385	1.7
73.02946	3.6
83.01390	0.8
85.02969	1.3
87.00883	0.7
89.02460	0.5
93.03471	0.7
99.00901	0.5
101.02466	1.5
105.03472	0.5
107.01407	2.1
117.03475	5.9
121.02953	0.6
127.04034	1.1
132.02174	1.0
133.02966	18.4
134.03745	1.0
135.04530	11.6
137.02499	0.4
145.05101	1.5
149.02415	1.9
149.06039	0.8
151.00357	1.3
154.28824	0.4
159.04539	2.1
161.02457	62.8
162.02808	1.5
162.84142	0.4
169.06613	0.4
177.05589	2.7
179.03497	12.1
181.06604	0.5
183.04579	0.6
197.06044	1.0
201.05511	0.4
221.04553	4.4
225.05612	2.0
227.03618	0.5
251.05557	2.3
268.03879	0.6
269.04556	100.0
270.04947	4.1
281.06653	4.7
285.04068	1.1
323.07770	2.9
341.08755	1.2
469.13513	63.8
470.13840	4.1
533.10822	0.4
609.36389	0.5
615.94720	0.4
739.18866	26.3
740.19226	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	739.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.2
59.01373	0.3
61.98870	0.3
63.02397	1.3
65.00351	0.6
69.55630	0.8
71.01385	0.4
71.22050	0.1
76.24902	0.2
81.03542	0.2
88.98808	0.3
93.03468	0.5
101.02477	0.2
105.03471	0.2
107.01406	1.0
109.02987	0.3
111.18311	0.2
117.03493	2.4
121.02955	0.3
123.04559	0.2
125.02464	1.1
133.02951	0.3
134.05171	0.2
135.04538	0.5
137.02454	0.5
145.05107	0.2
149.02464	0.5
151.00378	0.5
152.36786	0.2
155.05000	0.2
159.04535	1.1
161.02480	1.3
169.06635	0.3
174.45949	0.2
177.01962	0.7
181.06609	0.5
183.04543	0.8
189.01968	0.3
196.05249	0.3
197.06126	0.6
199.04063	0.2
201.05582	0.4
217.01215	0.3
224.04753	0.2
225.05540	1.2
227.03490	0.3
248.95732	0.2
268.03812	1.2
269.04565	100.0
270.04898	4.0
289.07150	0.2
341.06659	0.4
451.10641	0.4
459.07721	0.2
569.10669	0.6
587.11865	0.3
598.76355	0.2
739.21027	7.8
740.21228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
63.02400	1.4
65.00341	0.8
67.12762	0.2
67.37254	0.2
69.41740	0.8
71.01396	0.8
73.02965	0.5
78.94090	0.2
83.01376	0.3
85.02965	0.3
89.02471	0.3
93.03490	0.5
99.00900	0.2
101.02484	0.3
107.01392	1.4
113.02487	0.2
114.77684	0.2
117.03470	3.4
121.02985	0.3
131.03539	0.3
135.04530	0.4
137.31277	0.2
149.02419	1.0
151.00401	0.9
159.04509	1.3
161.02461	1.1
165.05545	0.3
169.06596	0.4
175.15224	0.2
181.06555	0.5
183.04543	0.8
191.05704	0.4
195.04437	0.2
196.05348	0.5
197.06117	1.0
201.05609	0.9
211.04077	0.2
224.04716	0.3
225.05667	1.2
227.03529	0.6
233.86400	0.2
239.03470	0.3
240.04182	0.5
268.00879	0.4
268.03796	7.7
269.04565	100.0
270.04910	3.5
284.03366	0.4
285.04019	1.3
301.03635	0.3
413.08743	0.6
431.09937	1.9
447.09329	0.3
467.07840	0.2
486.55505	0.3
573.94647	0.2
593.15100	0.3
739.20935	29.4
740.21222	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
60.15657	0.8
79.76537	0.7
83.01393	1.6
85.02970	0.9
89.02477	1.3
93.03452	1.5
93.16898	0.7
96.96020	1.9
101.02460	1.3
107.01372	2.1
128.10547	0.8
133.02985	1.2
143.05046	0.9
151.00391	2.9
161.02448	0.9
163.00421	1.1
169.06624	1.6
183.04518	3.0
185.06119	2.2
187.04074	0.9
189.05548	2.4
191.05556	1.4
196.50554	0.9
211.04037	1.8
213.05611	3.1
227.03525	16.0
229.04970	3.9
239.03549	0.9
241.04979	1.2
243.03026	1.8
255.03015	47.1
256.03644	2.7
257.04684	5.8
275.07455	1.1
278.55688	1.0
282.99268	1.4
283.02515	64.2
284.03262	40.0
285.04077	100.0
286.04443	3.9
327.05081	1.8
430.09192	5.8
431.09796	10.5
469.80319	0.9
593.15179	99.9
594.15363	6.8
739.20966	31.6
739.34045	1.9
740.21539	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	739.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25008	0.4
69.42492	1.0
69.42895	2.0
79.42909	0.5
98.21843	0.8
107.01391	0.8
109.02962	0.5
111.21895	0.5
123.85157	0.5
125.02396	0.5
133.02959	1.7
135.04535	1.2
146.03761	2.6
151.00385	1.2
155.05170	0.5
161.02467	4.6
161.06110	0.9
163.08429	0.5
164.04808	2.0
169.06557	0.5
171.04524	0.5
179.03508	0.9
179.07094	3.1
183.04521	1.8
185.06125	0.7
211.04060	1.5
213.05557	0.6
227.03503	21.9
228.03951	0.7
229.04997	0.7
246.14320	0.4
251.62234	0.5
255.02991	42.2
256.03726	4.8
257.04440	0.6
260.32150	0.5
283.02521	20.5
284.03271	42.6
285.04050	72.7
286.04373	3.7
306.65765	0.5
327.05255	0.8
431.09833	100.0
432.10251	6.8
562.89038	0.5
577.19324	6.1
578.19568	0.6
593.14856	2.8
739.20984	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	739.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96255	4.5
57.60830	5.5
59.01383	20.7
61.89486	4.4
61.98849	9.3
65.47498	6.2
71.01382	15.1
71.15313	9.3
78.95914	8.2
79.62029	4.7
83.20535	6.0
84.68359	4.8
86.01521	5.9
89.02451	12.2
99.85741	5.0
101.02473	9.8
105.22213	4.8
113.02467	6.0
156.01190	5.4
163.11320	6.9
167.57262	4.7
171.10283	91.9
171.93965	5.1
201.11423	9.3
207.10315	12.8
209.11850	14.8
210.12308	6.5
220.02571	5.0
225.11388	36.7
235.08324	6.0
249.18623	7.2
253.09404	17.4
277.21759	100.0
279.23270	10.6
305.24887	17.5
397.13571	39.1
415.14478	10.7
443.19202	6.6
461.20261	8.3
463.57663	5.3
604.48584	6.1
739.36975	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	2.9
59.01384	46.6
61.98841	2.9
71.01389	33.6
73.02958	6.2
83.01394	3.3
85.02962	6.5
87.00879	6.1
89.02454	20.3
90.45831	2.1
95.01374	2.3
95.05044	2.1
97.02968	4.3
98.22703	4.1
99.00890	10.7
101.02444	23.1
113.02451	12.8
119.03527	8.0
125.02454	9.1
125.09744	4.7
143.03535	3.3
145.21512	2.0
152.52145	2.4
161.04579	5.7
163.11285	7.6
171.10257	16.6
179.05737	3.5
181.12375	9.0
199.13396	9.0
201.11441	3.0
207.10292	16.2
225.11339	35.3
226.11613	2.2
235.08295	9.6
243.12369	14.1
253.09229	6.6
277.21747	38.0
278.22244	3.1
279.23270	4.8
281.24881	73.2
282.25226	3.5
287.07919	2.1
305.08670	3.4
307.87927	1.9
311.32449	2.0
397.13513	100.0
398.13919	6.4
415.14597	31.9
461.20236	3.6
479.21451	5.0
721.41418	2.4
739.42676	51.2
740.43787	5.3
743.68848	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	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84740	2.6
56.90240	2.5
59.01384	14.8
61.39805	2.6
61.98815	5.8
71.01392	8.1
73.02891	2.6
81.90573	2.2
82.97021	2.4
86.41759	2.6
89.02441	4.4
96.96004	10.6
97.02923	3.2
99.00861	9.7
101.02427	3.8
103.23424	2.2
109.06557	2.8
110.76467	2.3
125.09719	7.8
135.31064	2.5
146.32895	2.3
152.99680	2.8
163.11267	9.2
171.10272	21.3
181.12343	14.9
199.13397	24.2
201.11298	3.4
207.10255	34.2
225.11340	69.6
235.08240	3.7
243.12407	16.4
253.09271	10.2
277.21735	78.8
278.21838	2.9
279.23279	4.3
461.20398	13.1
479.20886	3.7
514.77173	3.0
721.41589	5.2
739.42755	100.0
740.43835	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	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	11.3
67.75306	2.8
71.01384	7.9
89.02463	4.5
97.02945	3.7
99.00884	13.8
101.02444	5.5
113.02461	4.2
123.43786	3.1
125.09695	6.6
157.42943	3.3
159.07094	3.0
159.98770	3.6
163.11273	7.5
170.21352	3.2
171.10245	12.2
181.12325	18.5
199.13406	10.7
207.10266	31.4
209.01205	3.3
225.11345	55.3
235.08249	3.4
243.12360	9.8
253.09332	5.4
277.21747	92.4
279.23221	4.3
461.20374	7.2
477.13712	3.9
721.41650	9.7
739.42786	100.0
740.43616	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	740.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98836	100.0
70.34290	0.8
79.25571	0.4
79.98681	0.5
86.71607	0.4
106.48804	0.5
115.21546	0.4
132.24222	0.4
157.23602	0.4
183.88049	0.4
217.52419	0.4
243.82355	0.4
333.95618	0.4
435.22955	0.5
531.95831	0.4
577.27643	0.5
762.07904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.1
61.98837	100.0
62.98529	0.1
86.72192	0.1
89.02470	0.1
98.22620	0.2
158.89395	0.1
176.78354	0.1
203.10532	0.1
279.23322	0.1
280.23935	0.1
315.43460	0.1
353.21890	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	740.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82710	0.3
59.01389	0.4
61.98834	100.0
70.05081	0.7
70.05444	0.3
101.02494	0.3
108.09256	0.3
110.12502	0.3
161.77034	0.3
294.30377	0.3
407.33987	0.3
415.14243	0.3
534.73267	0.3
580.52960	0.3
728.18909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64388	0.1
59.01383	0.5
61.98836	100.0
69.18497	0.7
81.03498	0.2
83.05048	0.4
84.05405	0.1
88.11015	0.1
98.22710	0.2
109.26942	0.1
156.35905	0.1
218.43736	0.1
225.16197	0.2
226.16389	0.1
228.48120	0.1
453.33539	0.2
614.32855	0.1
678.50458	0.5
679.50244	1.1
680.50635	2.4
740.49323	1.4
741.49976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.3
61.98816	1.5
64.34389	0.9
71.36053	0.9
77.03974	2.7
113.27950	0.8
121.02966	100.0
121.40882	0.9
122.03318	1.2
141.01682	1.0
161.76704	0.8
165.01941	70.9
166.76195	1.0
180.05832	1.1
181.06647	1.9
191.03539	1.7
210.45351	1.0
225.05563	2.1
260.80838	0.9
306.92838	0.8
357.06058	10.5
621.52631	1.1
635.12976	0.9
735.52917	1.1
741.15417	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	741.1684
Annotation	cyanidin 3-O-beta-D-(caffeoyl)-sambubioside
Peak:m/z	Relative Intensity
56.33633	0.3
59.01384	1.4
61.98830	1.0
63.02383	0.8
69.31905	1.7
71.01392	1.1
73.02956	0.5
83.01412	0.9
84.59923	0.3
85.02980	0.6
87.00866	0.8
89.02472	0.8
90.45577	0.3
93.03464	1.5
96.95995	0.5
97.71687	0.3
101.02451	0.8
107.01392	1.6
108.56303	0.3
109.02964	0.6
113.02463	0.5
116.92841	0.4
119.04973	0.4
121.02971	0.5
123.00884	0.3
130.08806	0.5
133.02986	2.9
135.04538	1.8
137.02434	0.5
139.19193	0.3
143.05013	0.5
149.00922	1.5
151.00404	4.2
154.04333	0.5
157.06618	0.5
159.04488	0.7
160.04025	0.4
161.01118	0.4
161.02467	6.4
161.04482	0.5
163.00354	0.8
169.01416	0.6
169.06642	1.7
171.04626	0.5
175.03915	0.4
177.01952	1.4
179.03523	1.8
185.05980	1.6
187.03949	1.6
189.05560	0.7
191.05780	0.4
195.04529	0.4
197.06056	0.7
199.03995	0.7
201.05635	0.6
203.03450	0.4
205.88329	0.3
207.57869	0.4
211.04010	1.0
213.05609	2.1
214.02698	0.6
215.03523	0.6
227.03491	1.3
229.05124	4.1
239.03456	1.2
241.04993	0.8
243.03032	0.6
255.02975	1.4
256.03522	0.5
257.04572	3.3
283.02597	1.0
284.03302	2.4
285.04068	100.0
286.04422	5.6
323.07742	3.3
417.08444	4.8
418.08319	0.4
429.08261	0.4
447.09210	1.3
455.11588	0.4
543.24872	0.5
558.93109	0.4
579.20898	0.4
609.12555	21.2
609.31317	1.0
610.12964	2.8
697.38690	0.6
741.16199	1.7
741.42236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45748	0.9
59.01387	100.0
68.42678	0.8
71.43607	0.9
72.99305	1.8
75.61657	1.0
81.55132	0.8
87.00888	37.4
90.06847	0.8
103.00384	52.8
112.98859	1.0
121.02970	66.5
122.03275	0.9
130.99879	49.4
135.04550	1.3
191.05652	0.9
253.03557	82.3
254.03888	2.7
529.62543	0.9
642.03333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.5
60.80249	1.2
72.44490	1.1
79.66603	1.2
81.03455	2.1
82.41359	1.1
83.01410	2.1
87.00851	1.3
95.05039	2.5
96.92552	1.0
97.02935	3.6
109.02956	18.4
121.02957	2.7
122.03800	1.7
123.04539	11.5
125.02454	16.6
126.02781	1.5
128.08308	1.2
128.11588	1.1
134.03828	1.3
135.04562	2.8
137.02454	10.5
139.04021	2.9
149.02437	5.2
151.04008	9.2
159.04504	2.6
161.02423	3.3
161.06087	4.0
163.04161	1.7
164.01175	2.1
165.01932	2.6
167.03424	2.2
175.03989	2.5
175.07629	2.0
176.73451	1.0
179.03496	6.4
185.22310	1.2
187.04047	3.4
188.04814	1.7
193.05077	2.5
203.07130	11.3
205.05083	7.3
221.08101	2.3
227.07249	2.4
245.08191	17.0
246.08620	2.2
285.03860	1.2
289.07190	100.0
290.07547	4.2
331.79037	1.3
394.84970	1.4
419.66891	1.3
451.12515	7.5
504.88870	1.3
662.46082	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16187	0.4
59.01368	1.6
68.89606	0.4
71.01377	1.5
85.02982	1.2
85.08103	0.5
89.02444	0.6
93.03476	0.6
108.25581	0.4
109.02962	1.4
109.30413	0.5
123.00889	1.0
135.04529	0.8
137.02452	6.3
139.03987	0.6
149.02516	0.8
151.00386	10.7
151.04051	0.7
152.04803	1.9
161.04561	0.7
166.02730	38.3
167.03267	1.7
175.04027	1.0
177.01964	1.9
179.03467	0.6
181.05089	55.2
182.05423	1.5
182.90515	0.4
190.06313	0.8
191.03519	0.8
191.05629	0.9
192.04285	0.8
193.05075	0.8
205.04991	1.0
205.08650	0.5
207.06725	1.0
216.01024	0.5
227.03461	0.6
255.03067	1.2
267.30356	0.6
283.02420	0.7
284.03168	1.6
285.03940	2.1
286.04321	0.8
341.10797	0.6
359.11295	0.7
371.15338	0.5
387.10880	8.8
402.13266	6.5
414.26706	0.6
417.15591	100.0
418.15930	4.0
426.56876	0.5
595.15472	1.0
609.14984	1.3
722.98401	0.5
741.21356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2622
Annotation	Eleutheroside E
Peak:m/z	Relative Intensity
55.01873	0.9
59.01382	6.9
62.70663	0.7
66.45118	0.8
69.07335	1.6
69.07747	4.8
71.01380	6.0
73.02946	2.3
83.01410	2.4
85.02965	3.7
89.02451	1.8
99.00899	1.0
101.02435	5.6
105.35725	0.9
111.00827	1.0
113.02449	1.9
117.03454	1.7
119.13365	0.8
121.02979	2.2
123.04494	1.2
125.02443	2.2
132.02180	3.2
133.02972	44.1
134.03770	7.5
135.04546	19.7
137.02466	2.0
141.99626	0.8
149.09750	2.4
150.03302	0.9
151.03963	1.0
161.02463	100.0
162.02827	3.1
163.04034	0.8
166.06366	11.6
177.01929	2.2
178.02686	1.1
179.03535	11.7
181.08725	9.4
195.06665	1.1
237.11336	1.5
271.05502	0.8
277.06961	1.1
292.59177	0.8
343.13950	2.8
397.11267	7.1
447.09360	1.0
741.26166	89.3
742.26709	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	741.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	48.2
61.98826	3.5
62.70284	2.2
69.03436	3.0
71.01386	32.3
73.02959	4.5
78.13038	2.1
83.01392	5.7
85.02963	6.7
87.00888	4.7
89.02454	24.8
90.78282	2.2
97.02959	5.1
99.00877	3.3
101.02444	21.3
113.02448	9.7
119.03501	7.4
125.02458	6.6
127.60764	2.2
143.03491	6.7
145.01883	2.4
179.05573	4.9
235.08279	11.6
238.44235	2.6
263.07642	3.1
283.26453	75.0
284.26773	8.0
287.07834	4.3
305.08801	6.4
374.73093	2.5
397.13525	100.0
398.13770	3.8
415.14532	32.4
490.20233	2.6
526.21869	2.6
528.35162	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	743.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41896	1.6
59.01383	50.6
61.98832	15.3
65.03391	1.6
67.06111	1.6
68.99823	19.1
70.39130	1.8
71.01393	25.0
71.41560	1.9
78.95930	1.8
83.01382	2.0
85.02926	3.5
85.14297	1.7
89.02448	18.7
89.88906	1.8
95.01376	2.3
96.95980	3.5
101.02451	15.7
105.03469	2.1
108.02188	33.4
109.02956	8.5
110.41901	1.9
111.43832	2.0
113.02480	8.7
119.03506	9.2
121.02953	4.6
122.03791	3.1
123.00883	9.8
123.04540	36.8
124.01651	2.1
125.02445	5.2
132.02185	7.5
133.02980	5.9
134.03685	2.5
135.04538	6.1
136.01697	2.0
138.03218	16.3
138.87448	2.0
147.04568	3.6
148.01648	2.1
149.02444	2.4
150.03233	20.7
151.04051	4.6
153.05577	2.4
160.01643	2.7
161.02457	22.2
162.03227	39.3
163.04031	16.3
164.04828	3.8
165.05576	5.4
165.46011	1.8
177.01952	22.9
177.05592	47.0
178.02737	42.9
179.03468	8.4
179.05597	2.9
179.07092	2.1
193.05072	100.0
194.05811	15.1
195.06728	4.1
209.04547	2.5
209.08185	3.2
268.07355	2.5
269.04510	3.6
289.07031	2.4
308.06741	4.2
309.07681	2.2
314.19937	1.7
316.09485	2.3
322.08423	2.7
323.09283	8.8
324.06375	2.8
324.09772	4.1
338.12036	2.4
339.08777	24.2
339.12445	4.1
354.11255	10.4
355.11887	2.7
367.11987	2.7
369.13504	27.9
533.18396	12.7
545.18121	4.4
545.25970	3.3
563.19232	53.4
564.19269	4.8
681.21967	2.6
705.44244	2.1
713.24384	10.3
743.25659	62.0
744.25867	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	743.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25041	1.8
55.55116	2.0
56.08707	1.8
59.01387	34.9
61.98830	2.5
69.19339	6.3
69.19740	4.9
71.01387	21.6
73.02975	3.2
74.87076	1.7
76.22788	1.8
83.01404	2.2
85.02959	6.9
87.00880	2.8
89.02455	17.1
95.01382	2.3
101.02448	11.0
113.02480	7.2
119.03506	7.9
151.77347	1.9
161.04478	2.1
179.05615	3.2
282.09036	3.8
285.04132	3.4
295.09668	2.8
311.09201	3.0
323.09506	2.7
326.11642	8.5
327.12305	5.4
341.14041	9.2
355.11896	3.9
488.16672	4.7
503.19275	100.0
504.19562	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	743.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.1
61.98832	23.0
69.77882	6.0
71.01386	3.5
96.95989	1.9
121.02968	3.9
150.03273	3.8
159.04559	5.0
160.05305	21.5
161.04590	3.6
161.06065	5.9
164.04881	2.1
173.06111	2.7
174.06915	2.9
175.07672	19.5
177.05504	4.9
178.06358	11.1
181.05133	2.1
191.05547	2.5
192.08014	2.8
193.08713	2.9
229.08759	2.5
272.76846	2.1
296.35986	2.1
329.13943	100.0
330.14120	6.2
359.15036	39.9
360.14944	2.3
470.27484	2.1
521.20551	11.6
743.24542	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	743.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69245	1.9
59.01388	20.8
61.79376	1.6
61.98826	2.5
66.37798	1.9
69.19488	11.2
71.01385	8.8
73.02942	2.6
83.01393	2.7
85.02949	6.8
85.65726	1.7
89.02435	3.8
99.00916	1.7
101.02452	7.2
113.02473	3.2
121.02962	2.8
137.02460	2.4
159.04497	1.9
166.02733	3.5
179.06989	1.9
181.05124	7.5
223.05997	2.7
255.87845	2.0
269.08194	3.8
281.08130	4.9
282.08899	3.4
283.09863	2.9
285.04077	3.9
286.04385	4.1
299.09521	2.0
314.11652	5.3
326.11566	6.9
327.12408	4.3
329.13934	9.9
341.13852	10.2
417.15622	5.2
418.15878	5.4
419.16153	5.5
476.16876	9.9
488.17206	4.2
491.19266	100.0
492.19913	8.6
503.19284	77.2
504.19421	5.9
521.20459	51.9
522.20447	2.3
580.01086	1.9
743.19635	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	743.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11789	2.5
59.01382	30.5
61.85003	2.2
61.98842	5.6
69.71120	8.7
71.01379	19.3
73.02957	3.4
80.39517	2.2
85.02976	6.4
87.00897	4.1
89.02441	19.4
101.02449	9.6
113.02457	8.4
119.03523	6.5
150.03221	2.7
161.04506	4.0
165.05556	4.1
179.05644	2.6
191.05605	5.2
192.72771	2.3
195.06673	4.2
201.12141	2.3
282.09195	2.5
291.12692	5.6
323.09927	3.1
326.11600	9.1
327.12286	5.5
329.24350	2.7
340.09402	3.1
341.13846	4.8
355.11710	4.4
366.12567	2.4
383.46268	2.8
488.17233	4.3
503.19281	100.0
504.19562	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	743.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71276	0.5
53.76875	0.5
55.00813	0.6
55.01871	1.0
56.49164	0.6
57.03458	0.6
59.01385	10.1
61.98828	3.2
69.16238	3.3
71.01395	8.2
72.99317	0.6
73.02950	2.8
74.35364	0.5
83.01387	2.0
85.02966	3.7
87.00893	6.2
89.02454	2.5
96.96024	0.9
97.02977	0.5
99.00844	0.9
101.02456	5.6
111.00873	1.3
111.14245	0.6
112.01590	0.6
112.98832	0.6
113.02437	2.6
119.03529	1.1
130.99895	0.7
135.04532	1.4
149.00972	0.8
150.03229	0.7
161.02463	0.7
161.04579	0.7
179.03493	1.4
187.07466	0.6
191.05595	1.6
195.06592	0.7
269.21051	1.3
285.04163	0.8
287.22272	9.4
317.19394	0.6
329.23178	0.7
403.84012	0.6
416.62589	0.6
423.15857	0.6
431.26617	3.1
449.27597	15.5
593.31842	2.6
611.32886	100.0
612.33124	4.7
688.21039	0.6
743.33905	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	743.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.79997	0.4
57.03439	1.2
59.01385	17.8
61.98817	1.8
69.03461	0.7
69.39435	2.0
71.01386	12.6
72.99301	1.5
73.02947	4.1
75.00895	0.6
81.03488	0.5
83.01397	2.4
85.02954	5.2
87.00884	8.7
89.02443	4.4
93.03462	0.6
95.01431	1.2
97.02950	0.9
99.00885	1.1
101.02451	8.7
111.00845	0.5
112.98808	1.7
113.02461	4.2
119.03506	1.3
121.02940	0.7
122.03771	1.0
124.01634	0.5
125.02457	1.0
130.99892	1.0
131.03535	0.6
135.04536	1.0
143.03494	0.9
149.01007	0.9
149.02435	3.2
150.03249	11.7
161.02449	0.6
161.04503	0.6
164.04807	0.9
165.05585	10.0
166.06268	0.5
179.05602	0.5
180.04248	1.1
181.08771	0.6
190.79442	0.5
191.05617	0.7
195.06662	4.2
205.81354	0.4
251.20236	0.6
269.21301	0.6
285.04028	1.7
286.04443	1.3
287.05106	0.6
287.22318	13.6
325.12964	0.6
329.13867	1.7
343.13809	1.3
392.56439	0.5
431.26550	3.7
432.26752	0.6
449.21539	0.7
449.27548	19.1
450.27866	1.4
473.11981	0.5
473.18274	2.2
487.71921	0.5
491.19330	5.8
517.86176	0.4
521.20300	1.3
533.20544	1.7
539.21259	4.4
581.22375	3.4
593.32001	1.5
611.32867	100.0
612.33221	5.1
743.33466	5.8
744.33881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12151	1.0
60.99310	17.2
61.10197	0.8
61.98837	16.1
73.60001	0.7
78.66379	0.9
88.00389	1.8
88.60588	0.8
88.98817	100.0
89.02455	12.0
89.99169	0.8
113.97925	1.0
118.20303	0.8
143.83339	1.0
169.29515	1.0
225.29076	0.9
231.25713	1.0
343.09247	1.3
487.46729	1.0
654.91711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84807	0.1
61.98835	100.0
69.49922	0.3
69.50304	0.3
71.23926	0.1
82.19912	0.1
88.98895	0.1
107.60777	0.1
115.00428	0.1
189.77126	0.1
269.33966	0.1
372.61493	0.1
437.84927	0.1
578.85144	0.2
656.33752	0.2
689.21704	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	744.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20788	0.2
57.18589	0.2
61.98835	100.0
71.44543	0.3
113.31379	0.3
117.46201	0.2
281.33551	0.3
769.44061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	21.2
59.01379	31.5
61.98831	16.1
69.31071	12.1
69.31483	9.3
71.01392	14.5
73.02966	7.7
79.95731	9.6
85.02939	5.4
89.02459	10.0
96.96026	100.0
98.22668	5.5
99.04532	11.5
101.02440	14.3
110.97579	10.6
113.02461	4.6
119.03632	5.0
125.02480	6.8
135.04512	4.9
149.02541	5.4
150.03185	10.7
161.02429	4.3
161.04541	9.2
165.05588	11.6
191.05684	7.4
195.06679	5.9
259.15109	4.0
283.09763	7.4
285.04160	6.5
306.66913	3.7
311.09210	22.0
326.11636	31.3
327.12100	4.8
341.13950	21.6
408.20673	4.3
493.00003	3.9
630.52521	4.8
745.20319	93.2
746.20325	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01387	4.0
59.01673	0.5
59.18218	0.4
61.98832	1.6
71.01386	6.1
71.10166	0.4
73.02962	1.6
77.03989	0.4
83.01371	0.4
85.02958	8.4
87.00892	0.7
89.02456	1.4
89.03966	0.3
95.01406	2.9
101.02453	1.3
103.04023	0.6
105.03474	0.9
107.38801	0.3
108.02152	0.4
109.02947	1.8
111.00942	0.3
113.02467	10.8
113.03256	0.5
115.01858	0.3
115.04015	0.8
117.03468	1.0
123.04597	0.4
131.03514	0.9
132.02206	2.7
133.02977	40.0
134.03667	1.1
135.04546	12.3
137.02460	0.4
143.03568	0.8
147.04541	1.3
149.02371	0.4
149.06099	1.2
154.93758	0.3
159.04495	0.4
161.02467	100.0
162.02789	2.6
163.06171	0.9
169.62202	0.3
172.05362	0.5
173.06175	1.6
175.04077	2.4
177.05582	1.7
179.03526	17.6
183.04434	0.4
184.12143	0.3
189.05560	1.9
201.05588	2.1
203.03528	9.6
204.03860	0.3
217.05119	2.7
221.04588	0.7
233.04553	5.0
245.04579	30.5
246.04872	1.0
251.05618	2.8
257.04608	0.4
261.08084	0.4
267.51794	0.4
305.06717	8.7
307.98187	0.3
323.07776	11.7
324.08356	0.6
379.73578	0.4
380.34531	0.3
420.89758	0.4
487.14835	0.8
631.18817	0.8
649.19788	2.0
745.21686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00545	0.3
59.01378	1.7
61.98832	0.4
63.53891	0.3
67.01875	0.4
67.15170	0.3
71.01380	1.1
73.24255	0.3
84.26180	0.3
85.02959	7.2
87.00883	1.5
93.03487	3.2
96.95985	0.4
99.04561	0.4
109.02953	0.5
111.04527	0.8
113.02475	0.7
127.04045	1.9
133.02992	3.7
135.04543	2.8
146.35928	0.4
147.39842	0.4
161.02472	5.8
171.02986	0.4
173.04588	1.1
177.02010	0.4
179.03496	3.3
191.05629	100.0
192.05992	3.0
216.99184	0.4
245.04662	1.2
353.08777	10.6
354.09091	0.6
391.04398	3.6
391.12341	0.5
455.05698	0.3
498.17743	0.4
571.39594	0.4
745.13556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06062	0.3
58.52217	0.3
59.01384	100.0
60.01725	0.6
67.07366	0.3
75.00835	0.3
78.95930	0.3
98.21803	0.5
103.01505	71.8
123.34938	0.3
129.24980	0.3
262.01282	0.3
288.93964	0.3
302.78845	0.3
401.65945	0.4
481.15247	1.7
495.16589	0.4
497.18109	0.5
540.16327	0.8
555.18817	4.3
556.18878	0.8
641.22473	1.4
659.23065	1.2
701.24524	2.4
745.24420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
55.99883	0.5
56.02080	0.5
57.03457	1.6
58.00597	1.2
58.06314	0.5
59.01384	100.0
60.01717	0.8
61.98850	1.3
65.60145	0.4
70.62068	0.6
70.62386	0.7
71.01387	50.7
72.01736	0.5
72.99306	2.4
73.02944	1.2
80.04218	0.5
80.16273	0.4
82.66543	0.4
83.01399	2.0
83.80888	0.4
84.02157	0.5
84.38251	0.5
85.02951	7.2
87.00870	2.8
89.02452	66.6
93.03455	1.7
95.01411	3.3
101.02451	28.5
102.02808	0.6
113.02461	18.7
116.89092	0.5
119.03514	29.0
121.02970	1.7
122.03770	5.0
123.04543	0.5
131.02652	0.4
131.03517	2.9
136.01669	0.8
143.03519	5.8
149.02467	8.2
149.04526	2.1
150.03239	27.3
151.03651	0.7
160.01642	1.1
161.04550	3.5
164.04765	1.5
165.05586	23.1
166.05927	1.2
179.05618	8.2
179.07086	0.6
180.04301	1.2
195.06641	16.3
240.08012	0.8
267.06229	0.6
268.07324	1.6
279.06540	0.6
280.07236	1.3
283.09619	0.6
296.06732	1.1
306.32617	0.6
308.06674	2.1
308.09882	0.6
309.07538	0.8
311.09174	1.4
322.08096	0.6
323.09271	3.4
324.06152	1.4
324.09750	1.3
338.11362	0.6
339.05005	0.8
339.08740	12.4
340.08987	1.0
354.11108	4.4
355.11517	0.6
369.13467	23.6
370.13562	1.8
387.14322	0.7
517.18652	7.3
518.19080	0.8
535.19293	1.1
583.21490	1.1
655.85736	0.5
657.38458	0.6
745.26544	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	745.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62246	0.7
57.64391	0.7
59.01381	4.9
61.00223	0.8
61.98832	6.0
69.55392	3.3
71.01385	4.0
72.99306	0.8
79.17097	0.9
83.01368	0.8
85.02959	2.3
87.00894	1.0
88.98808	1.6
89.02444	1.5
93.03471	5.6
93.52834	0.7
94.82122	0.8
95.04992	1.0
96.96038	2.4
98.21836	1.0
101.02438	2.0
107.05042	0.8
108.02172	1.4
109.02968	2.6
109.37574	0.7
113.02464	0.9
121.02958	14.9
122.03752	20.9
123.04591	1.4
133.02983	3.2
134.03806	1.9
135.04544	10.7
136.01680	16.0
137.02440	3.3
146.03770	2.2
147.04556	1.8
149.02454	30.5
149.06075	1.4
150.03238	100.0
151.00386	4.3
151.04037	21.0
152.01192	1.2
153.01959	1.1
155.10783	0.9
160.05270	1.8
161.02464	2.0
161.04597	1.2
161.06062	1.2
162.03210	2.0
163.04031	3.5
164.04782	7.9
165.05579	98.8
166.02715	12.3
166.05914	3.0
167.03494	2.8
170.11708	0.8
170.78737	0.9
172.05292	1.9
175.04018	5.2
175.07547	1.0
176.04828	0.8
176.68082	0.7
177.02013	3.3
177.05638	2.4
179.03523	1.0
180.04295	6.7
181.05060	17.9
187.04108	1.0
189.05606	3.1
190.06372	7.1
191.03542	1.1
191.05553	1.7
195.06635	60.9
196.07050	2.6
205.05125	1.0
205.08725	2.3
219.54007	0.8
267.06525	1.4
269.80713	0.9
279.06522	1.3
282.05444	1.1
282.08887	1.0
289.04138	1.0
293.08701	0.9
297.07715	1.2
297.11325	3.1
312.09839	1.1
314.08081	1.0
315.08661	2.3
327.12396	2.2
329.10181	3.6
340.13290	1.0
342.11069	1.5
356.12857	1.7
357.09549	2.6
357.13492	11.9
369.13644	2.4
372.12109	3.3
373.12845	1.6
375.14307	4.3
385.22128	1.1
386.13760	2.6
387.14490	47.2
388.14774	4.0
428.43658	0.8
475.14810	0.8
492.17963	0.9
505.18866	4.0
517.18518	1.3
535.19788	67.8
536.20056	7.8
553.20850	1.1
565.21021	2.2
579.20667	1.9
583.21838	41.3
584.22253	6.1
613.24988	1.2
745.27246	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	745.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70868	1.0
52.71109	1.0
57.03463	1.5
59.01385	8.6
61.98838	11.3
71.01395	7.0
73.02968	1.1
79.87825	0.8
85.02960	2.2
87.00861	1.1
89.02449	5.5
89.95531	0.9
93.03462	4.7
101.02454	4.2
107.95085	1.0
108.02172	1.2
113.02440	1.3
119.03484	2.0
121.02961	7.6
122.03761	16.6
125.84743	0.9
133.03003	3.5
134.03760	1.2
135.04539	4.9
136.01685	11.5
137.02478	1.7
149.02457	20.1
150.03244	99.4
151.00407	2.7
151.04048	16.6
152.01115	1.1
161.02441	1.5
163.04057	2.1
164.04774	5.1
165.05588	100.0
166.02736	9.6
166.05931	3.0
167.03548	1.3
175.04008	2.8
177.01953	1.7
177.58644	0.9
179.03477	1.9
179.05658	1.0
180.04295	7.4
181.05083	12.0
189.05641	2.3
190.06360	3.4
191.03729	1.2
191.05655	1.8
195.06644	78.6
196.06966	2.1
205.04932	1.2
216.10291	1.1
260.09348	1.6
283.02335	1.1
285.04156	1.6
329.10364	1.4
357.09717	1.9
357.13449	7.9
358.14050	1.4
369.13614	1.9
372.12112	2.4
373.12866	1.1
385.22296	1.0
387.14487	32.6
388.15176	2.0
505.18445	1.2
535.19757	24.1
536.20105	1.2
565.21594	1.5
575.49213	1.1
583.21820	25.0
584.22418	3.0
600.29163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93908	0.4
55.01884	1.2
55.32638	0.4
57.03449	1.1
58.00586	1.1
59.01385	100.0
60.01712	0.7
61.98852	0.7
69.22895	2.3
69.71560	0.4
71.01387	53.5
72.99326	2.0
73.02962	1.4
80.72013	0.4
83.01396	1.6
85.02959	8.8
87.00887	2.3
89.02452	69.0
90.02803	1.1
90.97576	0.4
93.03443	1.4
95.01395	3.0
98.21941	0.8
101.02451	30.1
105.31112	0.4
113.02463	20.9
119.03515	32.1
121.02983	2.9
122.03758	4.9
123.04591	0.5
125.02428	0.7
131.03502	3.5
136.01630	1.0
143.03513	6.0
149.02451	7.6
149.04477	2.7
150.03239	30.3
151.03683	0.9
160.01593	0.7
161.04575	3.7
161.05788	0.6
164.04761	1.7
165.05583	23.4
166.05916	0.9
167.03699	0.5
177.05524	0.7
179.05646	9.9
179.07124	1.2
180.04248	1.4
181.04816	0.5
195.06647	17.6
196.06932	0.8
236.02162	0.5
240.07874	1.1
255.10104	0.5
268.07370	1.1
280.07385	1.0
283.09900	1.0
296.06686	1.6
307.05878	0.7
308.06650	1.6
308.10147	0.6
309.07471	1.0
311.09103	2.1
321.07501	0.5
322.08444	1.1
323.09125	2.9
324.06146	1.1
324.09885	1.6
338.11301	1.1
339.04895	0.8
339.08716	11.8
339.12570	0.6
340.08920	1.6
354.11029	4.6
355.11307	0.6
369.13446	27.3
370.13510	2.1
387.14362	1.2
517.18768	7.3
518.18848	1.1
525.59210	0.5
535.19934	2.3
548.50775	0.5
565.20654	0.9
583.21252	2.0
659.03595	0.5
745.26959	1.5
746.26324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.83263	0.2
75.68239	0.1
101.02443	0.2
121.02993	0.3
122.00568	0.1
161.83499	0.1
191.05609	0.3
193.05229	0.3
222.72620	0.2
228.12114	0.1
245.90468	0.2
264.44611	0.2
375.58545	0.2
492.19592	0.3
494.20071	0.2
504.19617	0.3
505.19882	0.2
523.21643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04548	0.8
59.01385	23.1
60.20648	0.9
61.98842	6.8
63.28238	0.8
66.22943	0.8
69.03474	5.1
69.12137	5.1
71.01391	15.1
73.02976	1.8
83.05083	0.9
85.02975	3.2
85.06591	4.4
87.00878	5.1
87.04560	1.3
89.02453	12.8
92.02700	2.0
93.03471	30.7
95.01389	1.7
96.89877	0.9
99.00896	1.6
101.02457	10.2
105.01967	0.9
105.57750	0.8
107.05054	1.4
108.02202	1.5
113.02460	18.9
113.06094	6.0
115.04018	3.1
119.03506	4.7
130.02678	0.8
130.65149	0.8
131.03548	6.5
133.02936	1.4
133.05099	1.4
135.04535	3.0
136.01698	11.3
137.02458	62.8
138.02841	1.0
139.04037	1.4
149.02420	1.2
149.04605	1.2
151.04031	3.9
155.10820	1.6
157.05081	2.0
161.04559	1.4
177.96133	0.9
179.03519	35.5
179.05080	1.2
180.03947	1.0
189.04936	0.9
191.05594	1.2
192.33749	0.8
195.06694	1.0
203.12891	1.0
209.04564	5.1
239.05620	19.5
275.07828	2.7
281.06772	1.6
285.03998	1.5
289.69092	0.9
293.08798	37.0
294.09134	1.2
299.07690	3.0
413.10910	100.0
414.11240	4.2
427.12506	19.7
435.18579	3.4
437.11026	2.2
461.54108	0.9
557.15216	1.2
575.16211	3.0
617.17462	7.8
711.33813	1.1
747.23395	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	747.253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
70.06030	1.6
70.06374	2.2
76.01962	1.0
89.92888	1.1
93.47248	0.9
110.05166	1.0
122.93479	1.2
143.59163	1.1
201.62268	1.0
251.33585	1.3
330.58871	1.1
345.17303	1.0
455.17319	2.6
473.18201	5.5
483.13254	1.4
496.14096	2.0
512.13239	11.3
526.15143	12.9
527.15564	3.4
601.19482	4.0
613.19415	1.5
614.20258	78.8
615.20599	8.9
646.18951	2.3
687.22968	5.3
747.25275	49.0
748.25354	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	747.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03458	1.1
58.00600	1.9
59.01385	100.0
60.01718	0.6
60.99311	0.8
61.98835	11.3
71.01389	50.8
72.99319	1.9
73.02969	2.1
78.57254	0.5
83.01407	1.9
85.02964	8.5
87.00878	2.6
88.98828	6.1
89.02453	63.9
92.28868	0.6
93.03481	1.6
95.01407	3.5
96.96027	0.8
98.21882	1.2
99.00932	0.6
100.49409	0.5
101.02453	29.5
108.02215	0.6
113.02463	21.4
119.03516	30.6
121.02983	1.8
122.03757	5.2
125.02441	0.7
131.03557	3.5
133.02948	1.1
135.04529	0.5
136.01704	0.7
137.02490	0.7
143.03517	5.6
149.01291	0.6
149.02466	11.1
149.04443	2.6
149.85208	0.5
150.03246	30.8
151.04002	1.3
160.01758	0.8
161.04546	4.2
163.04028	0.7
164.04803	1.6
165.05580	26.0
166.06015	0.7
179.05635	10.9
180.04411	1.4
195.06636	19.8
205.84946	0.6
223.09637	0.6
228.84750	0.7
242.09488	1.0
256.77032	0.5
257.11905	1.0
270.09042	1.5
285.11386	1.6
297.11319	0.9
298.08575	1.6
310.08475	0.6
311.09167	1.1
313.10974	2.1
324.10205	0.7
325.10864	1.6
325.14450	0.6
326.08005	2.2
326.11624	0.9
327.12381	1.1
341.10315	10.9
341.14020	0.9
356.12711	4.3
357.13531	0.6
371.14990	20.5
372.15527	1.6
375.14569	1.7
467.00668	0.6
519.20288	11.2
585.22864	0.8
747.27759	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	747.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
58.00608	1.4
59.01383	100.0
60.01709	1.5
61.98830	5.7
69.19186	5.3
71.01387	55.6
72.99317	1.7
73.02941	2.1
83.01394	2.0
85.02962	7.9
86.37881	0.9
87.00898	2.6
89.02452	76.8
93.03443	1.2
95.01414	3.5
101.02454	30.7
113.02459	22.5
116.92878	1.3
119.03517	34.7
121.02961	2.5
122.03740	8.0
131.03506	3.5
133.02975	1.0
143.03500	5.2
149.02505	7.5
149.04561	3.3
150.03235	43.7
151.03624	2.3
161.04590	4.9
165.05574	35.8
166.05991	1.7
179.05606	12.8
179.07007	1.5
180.04303	1.4
185.11850	1.1
195.06639	24.4
239.96339	0.8
242.09518	1.8
270.09027	2.8
282.08987	1.1
285.11328	2.2
288.70764	1.1
298.08563	1.6
310.08252	1.1
326.07904	1.5
341.10355	12.4
342.10345	1.1
354.56802	0.9
356.12640	5.1
371.14984	25.9
372.15350	1.6
404.49591	0.9
519.20245	1.9
571.05975	0.9
747.30182	1.1
754.14874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.4
61.98831	6.7
70.79519	1.4
71.01383	14.3
72.99352	1.1
80.05064	1.0
82.95414	1.2
85.02947	1.8
89.02446	11.3
94.06596	1.6
95.01373	1.2
96.96030	1.1
99.00898	1.0
101.02449	8.5
105.05824	2.4
106.06617	3.6
107.03777	1.6
113.02444	4.5
116.92838	1.9
119.03497	5.0
120.08203	35.1
122.06133	21.7
122.56345	0.9
127.39592	0.9
132.04575	10.4
134.03773	2.0
134.06136	21.1
135.04506	1.7
136.07683	2.7
137.02431	1.3
146.06126	4.0
146.09744	2.8
150.03226	2.0
152.07187	3.9
161.02470	1.9
162.03233	19.5
162.05406	0.9
163.03891	2.7
164.04723	1.8
164.07138	1.4
165.01901	0.9
165.05505	1.6
177.02036	1.2
177.05571	22.7
178.05991	1.2
179.03557	1.3
193.04930	1.2
195.06615	2.8
197.28932	0.8
207.06599	1.7
211.12384	1.8
215.11926	1.2
223.08800	1.6
224.09473	2.2
225.10381	5.2
225.87108	0.8
227.11942	1.6
236.09375	1.0
237.10258	2.9
238.11142	9.9
239.11911	6.3
240.04211	1.5
241.13461	1.4
243.14983	3.3
249.10254	1.0
251.08241	2.0
251.11949	5.5
253.13486	28.5
254.14005	1.6
265.09769	2.4
265.13480	2.6
266.14142	0.9
267.14963	1.1
269.04572	4.0
269.16516	1.5
270.05005	1.0
277.09863	1.0
279.11401	15.8
280.12137	2.8
281.12906	1.8
287.14139	4.6
298.08624	1.1
298.72818	0.9
299.13950	1.4
299.71506	0.9
313.10889	1.1
314.12329	1.7
325.10782	1.4
343.11847	2.9
372.17032	1.6
386.17987	1.0
400.20193	4.3
406.37064	0.9
459.17212	1.1
580.26489	3.7
624.25690	26.4
625.26147	6.5
685.26080	1.1
747.32544	100.0
748.32928	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	747.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31887	1.4
59.01383	8.2
71.01370	3.4
73.02937	2.1
81.47783	1.3
85.02950	2.2
87.00903	2.3
98.21786	2.7
151.77699	1.2
163.17476	1.4
169.31181	1.4
192.05081	1.3
469.33551	6.5
515.94794	1.6
541.35272	1.8
583.36316	3.0
601.36835	1.9
747.43280	100.0
748.43652	6.1
755.48419	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	749.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00008	0.9
55.01868	0.8
55.10736	0.7
57.03452	1.6
58.16159	0.6
59.01387	19.4
69.03446	2.5
69.11951	4.7
71.01025	1.3
71.01393	20.8
73.02950	1.2
83.01398	1.4
83.05016	4.4
85.02958	16.5
87.00906	1.7
89.01934	1.3
89.02456	12.8
95.01408	6.1
97.02950	1.1
99.00844	0.8
101.02457	7.7
109.02982	0.7
111.00896	1.6
111.04542	4.6
113.02464	50.3
114.02767	0.8
119.03521	3.8
123.04533	2.3
125.02459	1.0
131.03531	6.3
133.05099	1.8
137.02458	2.2
138.63275	0.7
143.03484	2.6
155.03522	2.3
161.04576	8.5
167.03575	1.1
179.05620	3.0
183.28072	0.6
196.95750	0.6
210.32416	0.7
267.30850	0.8
275.07721	1.2
284.62363	0.7
293.08789	12.6
294.09128	1.0
317.08917	1.7
320.35565	0.7
324.88483	0.7
341.10977	0.9
347.09943	4.4
437.13037	10.7
455.14120	100.0
456.14594	5.9
479.14163	15.2
480.14413	1.0
497.15222	3.2
557.17206	1.8
617.20032	1.0
734.07422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03440	1.1
58.00597	0.6
59.01384	41.1
69.03465	4.3
69.82626	1.2
71.01386	21.7
73.02964	2.4
75.00864	0.7
81.03468	0.4
83.01388	1.4
83.05024	7.0
85.02962	5.5
87.00872	3.7
87.04528	0.9
89.02451	19.9
91.30301	0.4
93.03467	1.7
95.01395	1.6
95.05035	0.4
97.02972	0.5
99.00840	0.6
101.02448	20.1
109.02946	0.9
111.00890	0.6
111.04525	7.5
112.01685	0.5
113.02458	16.6
115.04000	0.5
119.03511	9.5
120.31120	0.4
121.02879	0.4
123.04510	1.6
125.02457	0.9
127.04065	0.5
129.01880	0.5
130.02679	0.4
131.03502	5.6
133.05074	1.3
137.02452	3.6
141.05641	0.6
143.03502	1.2
149.04565	0.6
155.03508	2.9
161.04532	2.3
167.03564	0.9
173.04509	0.7
179.03462	0.5
179.03975	0.6
179.05621	6.4
185.04593	0.9
203.05667	0.5
275.07770	10.4
278.58282	0.4
293.08804	100.0
294.09201	3.8
317.08792	27.2
318.09088	1.6
329.08780	0.9
333.53424	0.4
335.09769	1.2
347.09866	11.7
348.10315	1.0
357.26917	0.4
360.92682	0.4
365.10901	1.5
377.10846	6.9
395.11957	5.0
455.14139	0.8
563.05170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21661	0.6
55.01879	0.7
56.69013	0.5
57.03450	1.4
58.00584	0.7
59.01384	39.3
60.34838	0.6
61.85559	0.6
69.03445	4.3
69.13669	3.7
69.14043	1.0
71.01388	21.5
72.99302	0.6
73.02962	2.6
83.01408	1.6
83.05029	7.5
85.02957	6.5
87.00861	3.1
89.02452	24.9
93.03455	1.8
95.01384	2.4
98.21882	1.0
101.02451	22.6
108.98216	0.6
109.02961	1.7
111.00905	1.0
111.04533	7.2
113.02465	19.8
115.03963	0.7
116.58540	0.6
119.03512	12.6
123.04507	1.5
131.03522	5.6
133.05051	1.8
133.75240	0.6
137.02432	3.2
141.05663	1.1
143.03505	1.3
149.04623	1.2
155.03488	4.2
161.04553	2.1
167.03514	0.8
179.03587	0.7
179.04178	0.8
179.05617	6.4
185.04581	1.1
258.25342	0.7
263.35773	0.7
275.07745	10.8
293.08813	100.0
294.09006	5.0
317.08792	30.3
318.09018	1.2
335.09799	1.4
347.09863	14.1
348.09973	0.7
365.10834	2.5
377.10907	5.9
395.11993	5.6
407.11789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4485
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
57.03448	0.6
58.00580	0.3
59.01384	17.1
61.98841	2.5
65.44728	0.3
71.01386	4.6
71.05029	2.5
72.74001	0.3
72.99294	0.6
73.02954	2.1
83.01398	1.0
85.02951	3.5
86.00089	0.8
87.00851	0.4
87.04530	0.4
89.02431	1.0
101.02451	4.5
102.02879	0.4
103.04021	0.6
115.03997	0.3
131.03500	2.8
185.70293	0.4
216.72231	0.4
260.91635	0.3
309.61215	0.3
423.32986	0.4
471.34869	2.8
479.14874	0.4
481.97876	0.3
585.37817	0.9
603.39001	1.2
747.43378	0.7
749.44855	100.0
750.45148	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	750.227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.4
61.76177	0.3
61.98835	100.0
70.97538	0.5
87.74864	0.4
89.66640	0.3
91.22509	0.3
100.15228	0.3
103.73949	0.3
111.13250	0.3
112.81209	0.3
152.99561	0.3
154.83937	0.3
169.92427	0.3
287.17731	0.3
331.64703	0.3
337.92642	0.3
341.62445	0.3
401.67245	0.3
411.40155	0.5
439.51523	0.3
514.13397	0.5
515.13458	0.4
529.15247	0.6
604.20001	0.4
616.20868	1.2
617.20459	4.8
750.25189	5.2
751.24609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01376	0.3
71.01376	1.3
71.42092	0.4
73.02943	0.6
74.74187	0.3
78.30969	0.3
83.01385	0.6
85.02966	0.9
93.03462	49.1
94.03794	0.9
97.02995	0.4
97.32752	0.3
99.00923	0.3
101.02439	0.8
101.66428	0.3
109.02964	2.6
113.02460	0.7
123.04552	1.5
124.15014	0.3
125.02451	2.3
135.04543	0.5
137.02452	100.0
138.02782	1.4
139.03935	0.4
149.02444	0.8
151.03998	1.2
161.02498	0.4
161.04594	0.7
161.06041	0.8
164.01086	0.4
165.01915	0.9
167.03465	0.8
175.07617	0.4
179.03482	1.3
187.04025	0.6
188.04860	0.7
203.07085	1.3
205.05081	1.3
221.08177	0.4
227.07143	0.7
245.08194	3.4
289.07190	28.4
290.07648	0.4
299.07739	18.1
300.08218	0.5
399.36777	0.3
451.12445	3.6
557.92163	0.3
724.27997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03442	2.9
58.00612	1.1
59.01386	14.5
60.49096	0.7
61.98833	1.2
64.77323	0.7
64.94794	0.7
69.03461	9.2
69.13300	1.9
69.13709	3.2
71.01387	11.1
73.02938	4.6
83.01396	1.2
83.05025	2.1
84.48222	0.7
85.02960	7.8
87.00883	5.7
87.04523	9.2
89.02457	4.0
97.02937	1.7
98.21947	1.5
101.02455	9.4
109.06603	0.8
111.00902	1.3
111.04567	1.6
112.01648	0.8
113.02465	16.6
115.04060	0.9
119.03524	0.8
130.02676	0.8
131.03510	8.5
133.05058	1.0
135.04533	3.3
135.08185	2.3
137.02438	1.0
137.09727	15.2
139.11238	0.9
149.00868	0.8
151.11269	1.9
155.10793	63.6
156.11084	1.1
161.02339	1.4
165.05510	1.0
169.12357	3.5
177.02016	1.2
179.03438	1.2
179.10808	1.3
181.08710	4.8
191.05661	1.5
191.10773	0.9
195.10176	1.0
199.09772	35.3
203.12921	1.1
213.11320	5.4
241.10817	16.2
255.03180	1.0
255.12369	1.1
275.07767	4.1
283.02441	1.3
283.11826	1.8
285.04172	0.8
293.08743	4.9
301.12894	1.2
457.17401	4.6
469.10767	0.9
475.18213	14.2
505.14597	0.8
517.19275	1.4
733.25769	1.2
751.26672	100.0
752.27094	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	751.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	37.2
61.98837	17.1
71.01382	1.4
87.00914	1.3
91.14683	1.0
96.96010	2.0
98.21823	2.4
101.02494	1.7
115.04025	1.5
116.92891	1.5
121.02965	3.1
123.36923	0.9
124.01636	1.0
125.02448	1.4
135.04535	2.1
136.01656	1.1
137.02431	1.1
139.04062	6.7
147.04613	1.0
149.06111	1.3
150.03188	1.0
163.03908	1.2
165.05560	2.5
175.03979	4.3
176.01277	1.1
177.01924	2.3
181.04980	1.2
190.06441	2.4
193.29893	1.1
203.07191	1.0
210.63414	0.9
222.05341	2.3
229.21526	1.1
235.07657	1.7
251.07164	1.0
253.08633	1.6
258.87827	1.0
263.07095	3.5
267.06647	2.5
269.08160	4.2
275.07156	1.1
278.09537	1.1
279.06650	3.9
281.08142	7.6
283.09769	2.0
291.06613	2.4
293.08115	2.4
294.08969	4.4
296.10483	1.9
297.07712	17.8
308.10529	2.6
309.07654	31.6
309.11334	8.6
310.08246	1.9
311.09171	1.4
312.10071	20.7
323.09225	3.8
324.10056	27.8
325.10559	1.0
327.12393	100.0
328.12711	3.4
339.12387	86.8
340.12784	4.0
341.10257	1.8
381.13303	1.3
503.08231	1.3
674.71173	1.2
750.41016	1.2
751.41400	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75664	1.3
59.01377	4.5
59.82104	1.3
61.45660	1.3
61.98824	4.0
71.01389	2.7
77.81899	1.2
85.02953	2.3
88.98808	1.9
89.20707	1.4
93.03468	5.5
96.96024	1.9
98.21861	2.9
108.02177	6.1
109.02963	2.5
121.02975	13.8
122.03767	17.2
123.04541	3.1
125.02409	1.5
133.02959	2.2
134.03757	2.3
135.04561	7.7
136.01714	2.5
137.02415	2.7
143.98062	1.4
145.02917	2.7
147.04538	2.6
149.02449	40.2
149.06065	2.1
150.03239	100.0
151.00259	1.8
151.03955	5.3
152.01106	3.3
158.03853	1.6
159.04478	1.6
160.05237	1.8
161.02441	4.6
161.06017	1.6
162.03218	2.1
163.04073	3.4
164.04822	13.6
165.05586	100.0
166.06306	8.8
175.03989	3.2
177.01942	2.9
177.05568	3.6
179.03528	1.7
179.07190	3.1
180.04323	6.9
181.05034	2.8
181.08719	3.3
192.04488	1.4
195.06627	65.3
196.06833	1.9
199.58531	1.4
207.06593	2.8
239.07059	1.9
240.04320	5.3
255.10269	3.0
266.05710	1.7
267.06580	2.9
269.08170	22.7
270.08783	3.3
271.09589	2.1
281.08252	3.3
283.06610	2.3
283.09644	8.7
284.10403	2.0
295.06271	2.1
295.09607	2.0
296.10669	1.5
297.07425	1.6
298.08591	9.2
298.11661	2.2
299.09195	12.8
310.08475	3.8
311.09262	16.0
312.09628	2.3
313.10883	15.2
314.11624	28.8
315.12234	3.6
325.10739	3.3
326.11646	17.1
327.12430	3.6
328.13028	5.4
329.13931	67.1
330.14288	2.3
341.13959	29.0
342.14221	1.6
343.11893	39.9
344.12088	3.3
353.68350	1.3
355.11981	3.5
357.13431	3.3
359.14880	2.1
373.13092	6.9
375.29602	1.4
391.14011	5.8
461.44540	1.5
477.19055	4.1
491.17175	2.2
507.20273	28.0
508.20566	1.8
521.18384	1.6
525.21527	2.1
536.39508	1.4
537.21228	1.9
551.19012	2.4
555.22296	5.5
673.27002	4.7
703.27588	15.1
704.27405	2.6
719.90875	1.6
751.26093	4.2
759.58215	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	751.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.5
60.78822	1.4
61.98832	8.4
70.93940	2.4
75.56799	1.5
77.30674	1.4
90.53188	1.6
93.03464	6.0
108.02238	2.3
109.02965	2.6
121.02955	14.9
122.03758	15.7
123.04536	3.8
127.50758	1.6
129.24483	1.8
132.02151	5.0
133.02979	12.9
134.03783	7.6
135.04535	4.4
136.01653	6.2
145.02950	4.1
146.03712	4.5
147.04529	6.2
149.02460	40.1
149.06041	8.9
150.03239	100.0
151.03929	5.8
159.04515	4.1
160.05312	10.1
161.02374	2.0
161.06108	8.3
162.03154	4.2
163.04027	2.9
164.04814	12.5
165.05585	82.1
166.06241	6.3
173.06123	2.8
175.03941	1.9
175.07614	9.0
175.98163	1.4
176.04749	1.8
177.05536	6.4
178.06354	5.3
179.03546	3.3
179.07106	4.3
180.04294	3.3
181.08647	1.9
189.56725	1.6
191.05635	3.9
195.06635	42.6
269.07809	2.2
285.04034	2.2
313.10657	2.3
315.12158	2.6
325.10840	1.9
329.13934	25.6
330.14200	2.2
343.11926	9.0
373.12787	3.2
379.69095	1.9
461.16434	2.1
477.19336	22.6
478.19656	3.5
503.14053	3.4
505.18069	1.8
507.20398	18.6
508.20612	2.9
521.18182	4.5
525.21124	9.0
537.21881	4.0
555.22351	5.6
561.21832	3.4
591.22272	2.3
609.23322	3.3
625.24323	1.8
655.25720	18.7
656.25043	2.6
667.25555	4.1
673.26611	3.3
685.26764	13.3
697.26544	3.6
703.27087	9.6
715.27643	5.0
721.28522	2.0
733.28741	3.0
751.29688	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	751.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83031	0.3
59.01393	0.4
67.17007	0.3
69.01804	0.3
71.01373	0.6
71.79230	0.3
75.93373	0.3
78.95913	3.3
79.95742	3.2
94.92528	0.7
96.92223	1.3
96.96019	100.0
96.96906	4.1
101.02454	0.3
181.74756	0.3
255.23329	1.1
285.61929	0.3
287.40811	0.3
288.60931	0.3
291.54492	0.3
385.19174	0.6
397.13492	0.7
415.14581	0.4
435.08289	1.0
453.09341	1.9
667.93945	0.3
691.32025	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	751.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64818	0.2
59.01390	1.5
69.52000	0.6
71.01379	0.9
72.99313	4.2
73.99651	0.3
75.00877	100.0
75.53727	0.2
76.01221	0.6
79.77844	0.2
81.70238	0.2
85.02956	0.2
87.00887	0.3
89.02455	1.0
90.02156	0.2
101.02464	0.8
111.60812	0.2
113.02455	0.4
119.03554	0.3
125.02499	0.3
179.05722	0.2
210.39865	0.2
235.08327	0.6
277.21762	2.9
305.08966	0.2
323.09775	0.2
397.13553	6.2
398.13962	0.3
415.14517	1.7
443.79919	0.2
491.81488	0.2
675.36713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65429	0.7
59.01377	2.6
61.98824	0.9
62.48260	0.7
71.13043	1.0
72.99310	3.8
75.00881	100.0
89.02426	1.0
101.02437	1.0
129.16455	0.7
179.05402	0.8
277.21848	3.9
397.13522	6.0
415.14706	1.8
491.07260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03452	2.1
59.01389	20.7
61.98834	38.1
62.67433	1.4
69.41567	3.3
69.41969	4.8
71.01393	15.5
72.00913	6.1
73.02974	7.3
73.03308	1.6
74.02480	67.6
83.01394	3.6
84.83205	1.7
85.02963	9.3
87.00896	2.6
89.02438	4.7
95.01389	2.0
96.95991	2.3
99.00854	2.1
101.02441	13.4
104.03551	36.8
113.02453	5.6
116.92840	2.3
125.02392	1.6
135.04471	2.0
151.03998	1.7
161.04657	2.0
162.84044	1.4
175.44946	1.4
179.03458	1.6
182.03314	1.6
277.98514	1.3
366.30219	2.8
440.93301	1.4
599.61920	1.5
693.38971	2.1
722.39490	4.3
732.73291	1.6
752.40796	100.0
753.41187	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	753.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
59.27208	0.2
61.98817	0.3
63.02388	1.0
65.00316	1.0
69.49651	1.0
71.01376	0.4
75.63470	0.2
83.01368	0.6
84.55283	0.2
91.01865	0.3
91.07213	0.2
93.03443	1.3
96.96037	0.3
101.02446	0.3
107.01421	1.5
116.92806	0.4
117.03481	3.4
119.04967	0.2
123.04495	0.2
133.02966	2.5
133.63220	0.2
134.03732	0.3
135.00876	0.3
135.04520	0.5
137.02435	0.2
141.03441	0.6
145.02924	0.4
149.02449	0.2
150.03223	0.4
151.00371	1.6
154.04251	0.3
155.05029	1.1
159.04546	1.7
161.02460	0.9
163.03999	0.3
165.05586	0.3
167.05014	0.4
169.02872	0.3
171.04523	0.8
173.02417	0.4
173.06047	0.4
178.99895	0.5
182.03760	1.5
183.04523	8.1
184.04759	0.2
185.02513	1.2
185.06081	0.2
187.04025	0.5
191.05566	0.3
195.06606	0.3
197.02449	0.3
199.04019	0.6
203.12923	0.3
210.03305	0.2
211.04016	3.3
226.02792	0.4
227.03551	2.3
239.03418	0.4
255.03006	44.6
256.03336	1.3
257.04587	0.2
269.04578	1.5
279.05222	0.5
283.02499	100.0
284.02875	4.9
285.04065	18.8
286.04453	0.7
437.73962	0.3
445.05573	0.4
467.12045	3.8
504.60760	0.2
607.11774	0.3
628.20667	0.3
752.27686	0.3
753.16565	0.5
753.27948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
63.02396	1.5
63.02659	0.1
65.00313	0.8
65.84824	0.2
67.24673	0.1
68.37275	0.1
69.61753	0.3
69.62145	0.3
71.01391	1.2
72.99287	0.3
73.02972	0.2
75.00880	0.8
83.01407	0.2
84.96712	0.1
85.02957	1.3
87.00879	0.4
89.02445	0.3
91.07883	0.1
92.60358	0.1
93.03456	0.5
95.01385	0.2
96.09061	0.1
97.02951	0.1
99.00905	0.7
101.02474	0.3
105.03449	0.2
107.01406	1.5
113.02460	0.9
117.03477	2.9
133.01411	0.1
135.04584	0.4
144.75378	0.1
148.01683	0.2
149.02498	0.8
151.00386	0.6
155.05093	0.2
157.06648	0.2
159.04549	1.3
161.02434	0.8
161.04512	0.2
169.06609	0.6
181.06586	0.4
183.04494	0.8
196.05287	0.2
197.06134	0.6
199.04054	0.2
201.05614	0.6
212.40616	0.1
224.04790	0.5
225.05634	1.2
227.03514	0.4
230.35536	0.2
241.05148	0.2
268.03796	0.3
269.04562	100.0
270.04886	2.4
285.04132	0.3
315.57114	0.1
483.13498	2.3
753.18835	5.6
754.18713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98825	3.3
63.10416	2.6
71.01392	50.9
72.99313	2.5
83.01391	3.5
85.02965	10.2
89.02453	77.2
93.03461	4.2
95.01419	5.6
101.02451	41.2
113.02453	27.3
116.92870	13.5
117.03453	2.6
119.03493	34.4
121.02976	5.6
121.63127	2.7
122.03785	7.0
131.03494	4.2
135.04523	5.7
143.03493	11.2
149.02457	21.3
149.04553	4.5
150.03232	26.3
152.75218	2.3
161.04584	9.2
164.04745	4.0
164.43010	3.1
165.05574	25.1
179.05602	25.0
183.04529	2.8
191.05609	3.6
195.06616	17.4
255.02994	17.6
283.02536	31.9
283.09711	4.4
285.04129	10.6
285.07361	3.1
311.09140	14.9
326.11581	14.8
341.13922	22.2
416.03183	2.8
417.83313	2.5
474.16876	4.7
489.19336	27.4
490.19455	3.5
537.21619	6.6
584.29730	3.3
698.54669	2.8
717.27667	65.8
718.27734	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	753.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58200	0.4
57.03455	0.6
59.01371	2.4
60.99294	1.6
67.01888	3.7
69.03455	1.2
69.30099	0.7
69.30376	2.7
71.01379	2.2
72.18443	0.5
81.03471	1.2
83.05016	1.2
85.02955	5.0
87.00878	7.0
88.21638	0.5
93.03468	27.4
94.03812	0.8
95.14187	0.6
96.96021	0.7
99.00860	0.7
99.04530	0.7
100.07614	0.6
101.02447	0.7
109.02978	0.8
109.78523	0.5
111.04537	4.7
117.03513	0.9
117.91232	0.4
127.04013	1.2
127.71008	0.5
129.01950	0.6
131.34883	0.5
134.03751	9.6
135.04518	0.8
136.83923	0.6
137.02464	1.0
142.99121	0.5
149.02473	0.6
155.03459	0.8
159.11089	0.5
173.04558	12.8
175.04021	0.7
187.40616	0.6
191.05626	100.0
192.05992	2.1
193.05090	5.5
204.07863	0.9
248.91742	0.5
255.02921	0.8
283.02487	1.3
284.03302	0.9
285.03940	1.2
327.64413	0.5
367.10336	41.3
368.10641	1.6
591.13568	0.6
654.69006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	37.5
61.98830	4.5
70.37383	0.4
71.01381	0.9
85.06621	0.4
95.01315	0.5
95.10299	0.5
98.21908	1.2
115.04005	1.3
117.30486	0.4
121.02947	3.4
124.01701	0.5
130.49051	0.5
135.04570	1.0
139.04045	5.2
145.02998	1.1
147.04533	1.6
152.60107	0.5
159.04552	1.0
192.07896	0.7
224.04810	0.7
240.04092	0.6
241.08923	0.6
254.05766	0.5
255.03113	0.6
255.10362	2.2
266.06024	0.6
267.10391	0.6
269.08209	19.7
269.11163	1.0
270.08591	1.1
271.09845	1.2
272.89941	0.5
281.08325	3.6
283.02588	1.6
283.09802	8.1
283.95621	0.5
284.10117	0.5
295.09695	0.8
296.10544	1.1
298.12018	1.7
299.05786	0.8
299.09250	14.0
310.12131	0.7
311.09299	19.4
312.09671	1.0
314.11633	30.5
315.12033	1.9
325.11017	1.7
326.07709	1.1
326.11600	21.6
327.11993	1.1
329.13959	100.0
330.14343	5.0
341.13943	55.1
342.14334	2.8
359.15018	1.3
371.15039	5.9
383.14975	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	753.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55718	0.8
56.39338	0.6
59.01364	1.4
60.28189	0.6
61.07315	0.8
61.98825	3.6
69.29210	3.4
71.01380	1.0
73.41955	0.7
73.70953	0.7
85.02953	0.8
90.78462	0.8
93.03459	4.2
95.01444	0.7
96.82066	0.7
96.96096	1.0
98.22587	1.7
108.02161	1.7
109.02951	2.4
113.02473	0.8
117.03494	1.0
121.02967	9.5
122.03743	20.4
123.04522	2.4
125.02435	0.8
132.02179	2.7
133.02968	8.2
134.03757	6.4
135.04550	2.1
136.01683	2.2
137.02431	1.5
145.02953	4.3
146.03745	3.6
147.04520	5.2
149.02446	24.6
149.06087	8.2
150.03227	100.0
151.03691	3.3
153.75450	0.8
159.04559	1.4
161.02403	3.8
161.06068	3.2
162.03171	3.6
164.04779	5.2
165.05571	85.4
166.05931	4.6
177.01997	1.1
177.05539	3.8
178.06306	0.8
179.03467	1.4
179.07120	4.0
180.04289	4.9
181.04918	1.2
193.05077	0.8
195.06625	44.2
196.07001	1.6
270.08813	0.9
313.10767	1.1
313.86130	0.7
315.12311	0.9
329.14008	2.2
343.11807	1.2
346.13879	1.4
347.15088	2.4
357.13428	0.7
361.16592	15.1
362.17032	1.9
415.17706	2.4
463.17676	0.9
480.55161	0.9
485.13058	0.9
501.89227	0.7
509.21793	31.0
510.22141	2.4
521.21887	4.2
539.22943	4.9
540.23083	0.7
557.23792	6.2
563.23145	3.2
593.24048	1.4
611.25214	1.5
657.27020	11.6
658.27679	1.7
669.26776	2.0
687.28070	8.3
699.28125	1.4
705.29169	10.3
717.29431	1.2
735.30426	2.3
753.30872	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	753.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.4
57.03450	3.3
59.01383	100.0
59.78131	1.7
61.98832	38.8
71.01388	45.9
73.02959	21.0
74.02453	2.8
75.90038	1.7
78.33987	1.7
78.76220	1.6
83.01393	12.4
85.02962	29.7
87.00870	2.7
89.02451	11.8
92.70438	1.7
93.10593	1.5
95.01353	3.8
96.36093	1.8
98.21892	5.7
99.00875	6.9
101.02450	59.7
104.12661	1.7
113.02470	20.2
119.03462	4.3
125.02544	1.9
143.03506	2.4
159.03000	3.9
161.04585	15.5
177.01991	2.7
223.53545	1.9
251.39278	1.9
269.08151	1.9
280.01477	2.0
314.11481	1.9
329.13818	2.3
341.13873	2.3
441.30148	3.4
471.31079	14.1
489.32541	2.8
491.79153	2.2
531.33276	49.1
532.33527	7.3
633.36426	7.5
693.38538	72.6
694.38898	12.2
753.40143	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	754.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
61.98836	100.0
111.34419	0.3
124.78210	0.3
126.50861	0.3
151.03903	0.4
226.00240	0.3
264.84909	0.3
269.04700	1.3
586.58661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78618	0.4
59.01377	1.1
61.98827	0.5
63.02409	0.7
69.19666	1.4
69.20069	1.0
71.01366	0.6
73.02966	0.4
77.03985	0.5
89.02480	0.5
101.02417	0.5
105.03478	1.3
107.01396	0.8
115.01921	0.7
117.03474	2.7
132.02171	2.4
133.02968	39.2
134.03383	0.8
135.04544	4.5
149.02467	0.5
151.00352	1.3
159.04520	1.1
161.02458	100.0
162.02835	1.6
179.03488	3.3
183.04565	0.7
191.05740	0.7
196.64049	0.4
225.05598	0.9
237.69144	0.4
268.03790	8.1
269.04559	73.1
270.04822	2.5
284.03351	0.7
285.04056	3.7
323.07544	0.6
413.08865	0.7
431.09680	1.4
575.13898	0.7
593.15137	27.2
594.15314	1.3
755.18365	23.7
756.19043	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	755.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
63.02393	0.7
65.00325	0.5
66.36797	0.2
71.01400	0.5
83.01374	1.2
85.02971	0.3
89.93502	0.2
91.01910	0.3
93.03467	1.3
96.96022	0.3
97.31776	0.3
98.21903	0.8
107.01387	1.9
108.02187	0.3
109.02945	0.6
117.03497	0.4
118.14957	0.2
119.01376	0.3
121.02908	0.3
130.04303	0.3
131.05017	0.3
133.02986	1.8
135.00897	0.6
135.04539	1.0
141.07143	0.3
143.05055	0.6
145.02951	0.3
151.00394	4.4
153.01944	0.3
154.04218	1.2
155.04929	0.4
157.06635	0.2
157.59587	0.2
159.04504	0.8
161.02477	6.7
161.06056	0.3
163.00357	1.3
165.01984	0.6
167.05032	0.5
169.01451	0.7
169.06612	2.7
171.04518	1.0
173.02440	0.8
175.04144	0.3
179.03517	0.7
183.04613	0.3
185.06116	2.4
187.04010	2.3
189.05545	1.6
192.00565	0.2
195.04565	0.6
196.05243	0.3
197.06035	0.3
199.03981	0.3
201.05611	0.5
203.03488	0.4
211.04025	0.9
212.04654	0.3
213.05589	3.3
214.02701	1.1
215.03552	0.9
217.05110	0.3
226.02747	0.2
227.03497	3.9
229.05055	4.5
239.03545	1.2
240.04282	0.6
241.05081	1.2
243.02977	1.2
255.03006	4.9
256.03839	0.7
257.04590	5.3
265.97598	0.2
267.02808	0.4
283.02478	0.3
284.03278	4.6
285.04062	100.0
286.04358	2.6
323.07684	4.6
367.88647	0.2
431.09842	28.1
432.10123	0.9
441.94342	0.2
447.09106	0.7
609.12500	18.3
610.12732	1.4
623.32813	0.6
736.04376	0.3
755.18140	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	755.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05251	0.4
59.01393	2.1
61.98836	1.7
63.02390	0.6
65.00335	0.4
66.26466	0.4
69.06690	2.7
71.01390	2.0
73.02953	3.2
83.01414	1.2
85.02956	0.7
87.00889	0.7
89.02479	0.7
93.03461	2.0
96.96031	0.6
101.02464	1.5
107.01378	0.8
108.02158	0.4
109.02979	0.7
112.98875	0.3
113.02505	0.5
117.03471	0.7
120.56045	0.3
121.02940	0.4
123.04552	0.5
127.04064	0.9
132.02188	0.6
133.02974	12.5
134.03825	0.5
135.04544	7.7
137.02446	0.6
145.05103	1.2
149.06049	0.5
150.03127	0.6
151.00375	1.3
152.01170	0.4
157.06622	0.5
159.04529	1.1
161.02466	37.0
162.02852	0.9
163.00298	0.5
164.01169	0.6
167.05037	0.5
169.06625	1.1
171.04526	0.8
173.02487	0.8
177.01886	0.5
177.05626	1.2
179.03520	8.3
185.06184	1.1
187.04070	1.2
189.01709	0.4
195.04559	0.5
195.06686	0.4
198.03250	0.5
199.04030	0.5
203.03456	0.5
211.04114	0.5
214.02676	0.6
221.04652	2.1
227.03441	0.6
229.05084	2.1
239.03479	1.0
243.02989	0.5
251.05582	2.0
255.03030	0.8
257.04626	1.2
281.06662	2.9
283.02579	0.4
284.03186	0.6
285.04077	100.0
286.04510	2.9
323.07690	2.2
328.64233	0.4
341.08948	1.1
469.13547	61.7
470.14075	2.1
610.41119	0.4
623.26477	1.1
755.18353	6.4
773.05249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68251	0.2
59.01369	0.9
59.74707	0.2
61.91285	0.2
61.94508	0.2
61.98829	0.7
63.02387	1.1
65.00325	0.6
71.01378	0.3
83.01394	0.7
91.01914	0.4
93.03467	1.7
95.01441	0.2
96.33575	0.2
101.02451	0.2
107.01395	2.2
108.02198	0.4
109.02983	0.9
117.03482	0.6
119.01423	0.3
121.02967	0.3
130.04184	0.3
131.05022	0.5
133.02980	2.2
135.00894	0.9
135.04532	1.0
136.01711	0.2
136.54991	0.2
137.02448	0.4
141.07117	0.2
143.05037	1.2
145.03004	0.4
147.04514	0.3
151.00380	3.2
154.04207	0.3
155.05078	0.3
156.05840	0.3
157.06581	1.0
158.03737	0.3
159.04523	1.8
161.02461	6.6
162.02811	0.2
163.00386	2.1
164.01151	0.5
165.01906	0.3
166.06351	0.3
167.05034	0.5
169.01456	0.6
169.06624	1.1
171.04529	0.7
173.02423	0.2
173.06099	0.4
175.04076	0.4
179.03520	1.0
182.03754	0.3
183.04445	0.5
185.06070	2.8
187.04015	3.1
189.05577	1.0
191.05754	0.2
195.04544	0.6
196.05252	0.2
197.06015	0.9
198.03256	0.2
199.04028	0.9
201.05573	0.8
203.03526	0.6
211.04021	1.7
212.04823	0.4
213.05597	2.1
214.02728	0.3
215.03546	0.4
227.03493	2.7
229.05060	10.9
230.05382	0.4
230.43681	0.2
239.03539	1.5
240.04259	0.7
241.05074	1.5
243.02953	0.3
255.03008	1.7
256.03729	0.9
257.04575	7.2
258.05005	0.3
267.02948	0.9
284.03366	1.6
285.04062	100.0
286.04382	4.1
469.13522	4.4
593.15228	1.5
623.27277	0.3
755.18225	6.3
756.18726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.0
61.14136	0.4
61.98815	2.1
63.02404	1.3
65.00336	0.6
71.01398	0.8
71.23596	0.3
73.02950	1.0
85.02950	0.8
93.03479	0.6
96.96055	0.6
98.22633	1.5
99.92610	0.5
100.13970	0.4
101.02473	0.5
102.33114	0.4
105.03523	0.4
107.01407	1.8
109.02991	0.5
109.81572	0.5
117.87605	0.4
121.02995	0.6
132.02237	0.6
133.02968	11.6
135.04555	3.8
137.02458	1.0
149.02452	1.3
151.00406	4.4
157.33528	0.4
161.02464	15.1
162.02759	0.6
175.03998	2.5
177.01926	0.6
177.05583	0.6
179.03571	2.2
191.05710	0.5
192.51691	0.4
195.06464	0.4
197.06151	0.8
199.04045	3.0
201.01990	1.2
213.05630	0.6
215.03529	0.5
217.05150	1.4
221.04640	0.6
223.04004	0.4
227.03490	0.4
239.03439	0.6
241.05084	0.8
243.03084	0.6
255.03027	1.0
281.06836	0.6
284.03354	1.4
285.04077	100.0
286.04425	2.6
399.59836	0.5
421.11349	0.7
431.09888	0.5
469.13562	2.0
593.15161	13.4
755.18335	28.9
756.18579	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	755.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06192	0.2
59.01386	0.5
61.98823	0.2
63.02390	1.0
65.00326	0.9
83.01393	0.5
96.95240	0.2
105.03420	0.4
107.01393	1.5
109.02966	0.9
121.02956	0.8
133.02966	5.4
135.04515	0.4
147.00806	0.2
149.02449	1.4
151.00391	3.9
151.04012	0.2
154.95244	0.2
161.02443	0.3
165.05588	0.4
171.04515	0.5
173.06078	0.4
175.04008	2.4
177.01933	0.4
185.06097	0.6
187.03891	0.5
197.06117	0.2
199.04002	1.8
201.01926	0.8
211.04004	0.5
212.04822	0.3
213.05565	0.6
215.03569	0.3
217.05103	1.2
227.03514	0.4
229.05092	0.3
239.03436	0.4
240.04330	0.3
241.05086	0.9
243.03032	0.8
244.74388	0.2
255.03040	0.7
256.03806	0.9
257.04553	0.6
267.02866	0.5
271.02472	0.9
283.02460	0.3
284.03253	7.2
285.04053	100.0
286.04440	4.2
299.02029	1.5
300.02661	0.6
301.03537	2.9
327.04880	0.4
447.09323	0.6
593.15741	0.2
609.14362	0.3
655.70398	0.2
755.20416	33.9
756.20679	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	755.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91316	0.6
65.00337	0.8
67.74084	0.7
70.46530	0.8
71.91526	0.6
78.23587	0.6
93.03483	2.3
107.01418	3.1
108.02168	0.7
109.02984	1.5
117.03478	0.9
118.55120	0.6
132.02173	0.9
135.00897	1.9
135.04562	0.8
143.05037	0.8
151.00400	3.9
152.01202	1.0
157.06642	1.2
159.04524	1.9
161.02303	0.9
163.00391	2.3
167.03529	1.3
167.05127	0.6
169.06664	1.2
179.03546	0.7
183.04604	0.8
185.06010	4.0
187.03990	4.0
189.05594	1.6
195.04639	1.8
197.06096	1.6
199.04135	1.1
201.05602	1.3
211.04059	3.4
213.05615	2.8
227.03523	26.0
228.03893	1.4
229.02983	1.2
229.05087	14.4
239.03450	2.9
240.04129	0.9
241.04907	1.6
255.02992	41.2
256.03613	5.6
257.04590	9.0
267.03009	2.0
276.95340	0.7
284.03278	37.7
285.04062	100.0
286.04349	6.2
288.72577	0.7
299.05701	1.8
342.51389	0.7
617.25775	0.9
755.20428	61.5
756.20746	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	755.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	1.2
65.00333	1.3
67.61054	0.9
70.94785	0.9
72.99306	3.0
88.98809	1.4
96.08408	1.0
98.21901	3.0
107.01418	1.8
109.02946	1.6
120.27091	0.9
125.02421	2.4
133.03009	1.3
137.02399	1.3
151.00359	6.9
159.04494	1.0
161.02364	1.1
164.69919	1.1
177.01915	1.7
178.99826	2.1
191.03693	1.0
199.04001	3.6
199.75691	1.1
201.01900	1.3
215.03435	2.1
227.03490	3.1
229.04984	2.0
243.02940	6.3
255.02968	9.6
271.02493	54.1
272.02930	3.1
283.02505	2.0
284.03329	2.6
285.04028	3.2
299.01987	100.0
300.02728	34.1
301.03537	38.8
302.03745	1.4
342.63147	1.0
403.10422	1.0
446.08560	15.7
447.09305	14.6
451.35541	1.3
593.15369	1.7
609.14587	29.3
610.14911	3.2
690.24969	1.0
755.20416	80.8
756.20300	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	755.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.4
60.92152	0.6
66.11249	0.7
72.99276	0.9
88.98794	0.9
89.02476	0.8
93.03478	0.9
96.85203	0.6
96.96038	1.0
97.43913	0.7
103.75353	0.6
105.42969	1.0
107.01367	1.4
109.02999	1.1
121.02945	1.0
125.02471	3.5
133.02968	1.3
135.04616	0.9
137.02443	1.3
151.00378	4.8
151.04002	1.4
161.02454	1.1
162.40468	0.7
163.00368	1.1
163.92828	0.7
175.03992	0.8
177.01956	2.6
178.99869	2.0
179.03549	0.9
187.04085	1.2
190.60197	0.7
191.03517	2.1
196.90434	0.7
199.04089	1.1
211.04047	1.3
226.02827	1.4
227.03514	20.9
227.05664	1.5
228.03882	0.9
231.65521	0.7
239.03467	0.7
243.03008	4.0
254.02312	1.8
255.03018	34.6
256.03656	4.1
257.04510	1.3
269.04282	1.7
271.02496	24.1
272.03058	1.9
283.02466	11.5
284.03308	36.9
285.04053	52.1
286.04419	2.8
299.01981	15.5
300.02759	20.9
301.03543	24.8
302.03900	1.2
307.14014	1.5
327.05060	1.4
447.09360	100.0
448.09747	6.3
519.00018	0.9
593.15485	1.0
608.13525	1.2
609.14703	2.7
666.35034	0.7
755.20361	22.3
756.21228	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	755.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63173	0.8
65.00336	1.0
83.01405	1.4
90.78568	0.9
90.89857	0.7
93.03470	0.9
106.69802	0.7
109.02976	1.0
117.03569	0.8
125.02454	3.9
133.02988	1.4
137.02489	1.6
151.00372	3.3
161.02414	0.7
163.00362	1.1
167.05031	0.9
177.01897	1.2
182.05586	0.8
183.04588	2.0
185.06068	1.0
187.04041	1.2
191.68358	0.9
211.03896	1.0
215.03735	0.9
218.26205	0.8
227.03500	11.8
229.05040	2.6
255.02998	35.1
256.03543	2.7
257.04553	2.3
271.02472	0.9
282.99298	1.5
283.02499	41.3
284.03268	30.7
285.04053	86.8
286.04425	3.4
289.07202	1.3
299.01855	1.3
301.03546	1.7
327.05176	1.7
395.17831	1.0
446.08624	3.7
447.09338	10.9
593.15155	100.0
594.15631	8.8
597.08203	0.9
609.15076	1.1
755.20319	9.1
756.20782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.3
60.01739	0.2
61.98837	100.0
67.56791	0.1
71.01388	0.6
73.02961	0.2
74.02475	0.2
85.02971	0.3
87.00862	0.2
89.02466	0.3
89.52814	0.1
98.21897	0.4
101.02469	0.4
113.02454	0.3
114.02735	0.1
131.63989	0.2
145.20525	0.2
150.06920	0.3
190.05203	0.2
224.43227	0.2
226.52869	0.2
239.06952	0.2
269.08337	0.3
270.08502	0.3
285.03897	0.2
312.09302	0.2
314.11368	0.2
315.11938	0.2
327.12283	0.2
329.14084	0.8
330.14359	1.2
331.14618	0.7
332.14874	0.3
341.14230	0.4
342.14481	0.6
343.14615	0.4
344.14963	0.2
499.54410	0.2
651.40015	0.5
652.40503	0.6
669.41345	0.5
670.41602	0.5
712.42609	0.2
731.44165	0.2
756.42212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77529	1.0
59.01384	18.0
60.00003	0.9
61.98837	2.0
65.59964	0.9
69.03468	1.3
69.43707	3.1
69.47384	0.9
71.01385	16.8
72.99345	1.0
73.02963	2.2
74.99383	2.1
78.91895	5.7
80.91690	61.2
82.95404	2.3
83.01376	1.2
85.02944	2.7
85.43715	1.1
86.99394	1.7
87.00880	2.7
89.02477	6.7
97.02949	2.8
98.99393	12.2
99.00889	2.4
100.00162	1.7
101.00969	9.3
101.02429	8.5
102.98887	5.7
113.00970	8.0
113.02454	3.9
115.99664	4.4
119.03519	1.8
125.00974	9.0
125.02441	4.0
126.01237	1.0
126.98877	5.2
127.02563	1.2
129.00490	2.2
130.98344	2.3
135.39651	0.9
139.02539	1.2
139.99670	1.7
141.00467	38.0
141.01572	1.7
142.00574	2.0
143.99130	4.7
151.02515	1.2
153.00485	11.3
153.01620	1.2
155.01985	2.6
161.04555	1.4
161.07486	1.0
161.12862	1.1
167.01999	5.0
167.99174	1.5
168.99947	3.9
173.03050	2.3
179.02008	2.5
180.99905	1.6
183.01477	4.3
186.82813	1.0
195.01489	2.7
201.02556	6.1
207.01486	3.1
210.46060	0.9
235.08221	2.1
239.04135	1.2
243.03252	1.6
243.04868	1.7
257.05008	6.2
261.04636	2.9
273.04623	2.2
275.06204	5.7
277.21716	24.5
278.22009	1.7
303.05991	1.2
317.07303	2.7
327.05600	1.6
344.80035	1.2
345.06812	14.0
346.06903	1.2
359.08325	1.5
359.21927	10.0
371.77817	0.9
391.19711	2.0
397.13519	27.3
415.14545	7.3
419.10626	25.7
420.10669	1.4
437.11908	25.4
438.12057	1.3
577.28992	2.9
697.32977	100.0
698.32990	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	757.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52034	18.9
57.06618	19.1
61.98830	26.2
63.96344	22.0
69.45129	100.0
70.14542	16.7
110.71377	22.8
116.98467	19.8
225.11351	36.3
277.21640	26.1
348.29584	19.8
418.61804	18.9
467.84592	22.0
585.11646	20.3
598.62207	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	757.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	30.2
63.59685	31.4
75.00873	100.0
145.35840	30.0
277.21707	69.0
317.19937	31.8
336.69037	34.1
368.38086	38.3
515.23553	33.7
730.35291	35.3
757.39319	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07277	0.7
59.01386	100.0
60.01732	1.5
61.98841	3.3
65.67368	0.7
75.00884	1.4
76.78211	0.6
82.95439	1.4
102.95719	1.9
103.00404	3.1
103.01508	67.1
105.15763	0.8
153.37546	0.7
184.25212	0.6
185.42906	0.7
259.25232	0.7
392.55624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10569	0.5
59.01386	100.0
61.98841	1.2
69.35582	0.6
75.00882	0.7
79.82219	0.5
102.95721	2.1
103.00527	3.5
103.01508	65.4
115.70477	0.5
230.58624	0.6
250.28903	0.5
279.29462	0.5
354.92889	0.5
517.78302	0.6
586.12366	0.6
625.25989	0.7
727.13281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.0173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	60.3
69.24538	3.8
80.38161	0.6
98.21863	1.6
115.02509	2.2
117.00436	2.9
132.98193	2.1
134.96951	0.8
149.98691	0.9
157.03625	1.1
159.01523	23.4
166.03474	0.7
174.99258	21.1
185.43645	0.6
192.95886	2.5
201.02585	13.8
217.00310	100.0
218.00638	1.3
274.99438	1.9
290.97156	1.0
292.96017	1.0
301.02737	10.5
302.02731	0.8
317.00418	17.7
319.98584	0.9
332.98105	4.8
334.96796	1.4
359.01450	6.2
374.99295	12.3
451.56781	0.8
459.01733	4.3
474.99457	8.1
514.97351	1.3
517.00409	2.1
541.00525	4.0
556.98444	14.8
617.00610	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	759.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98853	1.1
63.02404	1.8
66.64436	0.7
85.50446	0.9
93.03422	0.9
107.01382	1.0
117.03474	30.4
119.05035	7.6
145.02962	54.4
146.03343	1.0
149.02463	1.3
151.00352	1.4
159.04509	1.4
163.04027	3.6
201.05586	1.5
210.06863	4.4
211.07664	27.1
215.98125	0.8
225.05461	1.4
248.44006	1.1
268.03757	10.9
269.04556	100.0
270.05020	4.0
453.11798	4.9
511.08807	19.6
512.09271	1.3
559.12543	1.5
577.13770	2.1
723.17194	53.3
724.17676	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.39743	0.4
61.98816	0.9
71.01355	0.3
73.02948	1.0
73.19679	0.3
75.00871	0.5
77.26853	0.3
95.73138	0.3
95.73792	0.3
99.00867	0.6
99.92591	10.3
110.71259	0.4
114.93414	1.1
115.00388	0.4
116.92870	100.0
116.97275	0.8
117.01952	1.7
117.92887	4.1
145.57002	0.3
167.18633	0.4
178.20949	0.3
205.77786	0.4
244.60115	0.3
388.09497	0.4
405.96661	0.3
481.15341	0.5
677.20117	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	759.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25448	1.1
59.01383	9.9
59.75006	1.0
71.01385	4.4
85.02950	1.1
92.05071	2.7
101.02457	2.6
106.06637	1.8
111.00655	1.7
116.05075	10.7
118.03010	11.7
119.03490	1.5
128.05054	2.0
130.06657	9.1
131.03708	1.9
132.04567	2.6
132.08206	1.4
134.06123	8.0
136.32198	1.0
142.06656	1.9
144.04561	100.0
145.04922	4.6
146.02486	63.1
146.06110	3.4
147.02803	2.5
148.07681	1.4
158.06134	34.6
159.06505	1.2
160.04051	9.4
162.05626	9.6
163.25826	1.1
172.03943	1.0
174.05579	4.1
176.07179	25.8
179.12944	1.2
184.48172	1.0
186.05597	12.3
188.03560	3.3
198.05382	13.2
204.06682	23.4
205.07059	1.9
210.01712	2.0
213.25543	1.2
226.04877	35.5
227.05101	1.2
228.02805	2.3
230.04527	4.5
244.04533	1.7
286.06955	5.3
306.09921	1.5
308.07816	5.9
323.45657	1.0
346.08997	3.8
350.08862	8.6
351.09131	1.3
352.10471	1.3
368.09872	59.1
369.10272	5.4
390.08096	56.8
391.08618	2.5
450.10269	6.0
577.13739	1.6
595.14124	1.2
759.18671	28.4
760.19165	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	759.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	39.9
78.95935	27.1
129.75716	17.2
133.16707	22.0
152.99629	25.2
193.58267	19.0
209.11816	100.0
243.46660	21.6
269.33987	20.4
277.21729	59.1
325.18082	25.4
336.40408	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	759.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	39.5
70.94714	22.5
71.45409	29.6
80.69696	24.8
92.09149	22.7
92.46848	24.5
209.11778	72.5
277.21796	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	761.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56683	0.3
65.53208	0.2
66.95929	2.6
71.01389	0.5
80.85342	0.3
80.91689	2.2
82.95425	100.0
83.02524	0.5
96.37592	0.2
96.96009	0.3
99.14808	0.3
111.57921	0.2
155.63832	0.3
191.05713	0.3
217.29610	0.3
263.86288	0.3
629.29156	0.3
651.14886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84090	0.2
59.01394	0.4
61.98833	100.0
69.84773	0.2
70.66653	0.3
71.01362	0.2
101.02449	0.2
113.23951	0.2
134.03764	0.3
144.64806	0.2
161.02515	0.3
165.05655	0.3
166.08113	0.2
181.74931	0.2
193.05118	0.3
195.06552	0.2
234.09940	0.2
238.26567	0.2
269.04715	0.3
286.04367	0.3
325.32843	0.3
351.88824	0.2
369.47623	0.3
575.63513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.1
57.03449	2.9
58.00607	1.0
59.01388	14.0
65.72531	0.8
69.03468	4.1
71.01389	16.3
71.01783	1.1
73.02957	5.0
81.03481	0.9
85.02955	17.9
87.00871	3.1
87.04539	2.9
89.02457	4.2
95.01405	6.0
97.02965	1.0
101.02468	5.9
103.03996	1.4
105.03484	1.0
113.02465	33.0
115.03992	2.6
131.03520	10.9
132.02205	2.2
133.02969	38.0
133.05092	1.3
134.96320	0.8
135.04524	3.7
137.06049	1.1
143.03542	2.0
160.13655	0.8
161.02467	81.3
162.02785	1.8
163.06136	1.8
179.03511	1.5
205.07137	2.0
209.44493	0.8
293.08972	1.4
456.84567	0.9
583.19440	1.3
586.18091	0.9
601.19928	100.0
602.20227	4.0
763.22949	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	763.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.4
57.03445	2.6
59.01388	19.3
61.98829	1.2
67.01904	1.8
68.99816	0.9
71.01387	13.0
72.99298	3.1
73.02950	0.8
75.00887	4.9
76.22682	0.5
81.20873	0.6
83.01385	3.5
85.02963	12.5
87.00867	0.7
89.02449	6.6
89.84534	0.6
95.01405	5.7
97.02943	1.4
99.00887	4.5
101.02433	0.8
111.00892	6.4
113.02459	9.3
129.02042	0.7
131.03517	1.2
139.00381	3.2
143.27107	0.7
157.01430	1.0
159.81723	0.7
196.16866	0.6
199.95448	0.7
210.03619	0.7
249.62959	0.6
278.31076	0.6
311.21671	0.6
314.26080	0.7
369.26440	0.6
453.33810	3.0
455.35129	5.5
483.34683	1.9
496.52121	0.7
497.35541	0.8
523.38269	0.6
537.35553	1.4
551.37366	4.1
569.38159	3.8
581.65649	0.6
605.93671	0.7
747.06006	0.8
763.42804	100.0
764.43103	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	764.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.8
59.66651	0.4
67.01903	0.8
69.47713	1.0
69.48096	1.0
71.01389	2.9
73.02966	1.9
81.03462	0.5
83.01373	0.5
85.02943	1.0
87.00891	1.4
89.02460	1.5
93.03471	1.9
96.96046	1.0
97.02946	0.6
101.02448	3.0
103.04025	1.4
113.02447	0.7
119.03493	0.4
121.02972	100.0
122.03296	2.3
125.02466	2.5
131.03545	1.6
135.04535	0.7
143.03549	0.8
145.05098	0.6
148.04062	38.3
149.04387	0.6
161.02419	0.6
161.04591	0.7
163.04025	0.6
163.06186	1.1
167.44720	0.4
179.03522	0.7
198.07664	0.4
198.77003	0.4
205.12970	0.4
221.06665	0.6
222.33061	0.4
247.08252	0.7
286.36740	0.6
305.33484	0.5
307.10144	1.2
347.36679	0.4
367.12427	1.8
393.13940	1.4
555.18860	0.5
602.20282	0.6
764.26233	41.9
765.26526	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	764.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92427	3.7
61.04366	2.9
70.48331	8.5
99.00901	5.7
99.76299	3.5
152.51712	4.1
169.98466	3.4
181.12306	9.5
207.10258	15.8
225.11343	56.4
235.08165	4.4
243.12379	4.9
253.09474	4.7
277.21732	100.0
306.43265	4.0
443.19095	6.2
721.41687	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95263	0.4
59.01376	1.8
61.98837	4.1
62.54436	0.5
63.02396	1.0
65.00335	0.8
66.67831	0.4
71.01368	1.0
72.09493	0.5
82.18338	0.4
91.58284	0.4
92.35614	0.6
96.96000	1.1
107.01388	1.6
117.03468	3.3
121.02998	0.6
135.04524	0.5
139.04010	0.9
149.02429	1.3
150.03210	0.7
151.00374	0.7
151.03969	0.9
159.04547	1.0
161.02472	0.9
165.05583	0.9
171.48672	0.5
179.03523	0.6
197.06076	0.8
203.03644	0.5
219.00716	0.5
225.05484	0.6
227.14723	0.5
233.84375	0.5
267.22995	0.5
268.03815	9.7
269.04553	100.0
270.04871	5.9
270.09003	0.7
271.19000	0.5
301.10748	1.1
358.62250	0.5
388.15823	0.6
427.73431	0.6
473.10870	1.4
575.14233	1.4
593.15198	8.2
594.15656	1.2
635.16180	35.4
636.16199	3.5
765.23804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97797	0.3
57.02130	0.4
59.01386	4.9
61.98823	1.2
66.06102	0.4
68.74185	0.3
71.01389	0.8
71.98930	0.3
73.02964	0.4
81.65591	0.4
85.02965	0.8
85.10870	0.4
93.03472	0.5
96.96038	0.8
101.02453	0.6
108.02162	1.5
113.46024	0.4
121.02986	4.3
122.03772	2.2
122.60225	0.4
125.42975	0.4
134.03761	0.7
135.08174	0.4
136.01674	51.9
137.02264	1.1
137.15907	0.3
149.06137	0.5
151.04022	84.9
152.04391	2.9
159.04582	0.6
160.05321	1.0
161.04565	0.5
162.03271	0.9
163.04024	0.9
175.07629	1.1
177.05533	1.1
189.05621	0.5
311.12985	0.7
312.13486	0.4
342.11115	4.4
357.13458	100.0
358.13803	8.2
388.88577	0.4
501.17764	5.1
543.18744	5.8
544.18982	1.0
610.30542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91461	0.3
59.01385	0.8
60.99311	17.6
61.98835	0.4
71.01377	1.0
74.00462	0.3
81.80392	0.3
85.00441	1.3
87.00887	5.7
88.00416	2.6
88.01218	0.6
88.98813	100.0
89.02449	54.8
89.99157	0.8
90.02785	0.4
101.02448	0.5
101.79034	0.3
125.02507	0.4
127.78542	0.3
145.78647	0.4
193.46750	0.4
244.60486	0.3
277.21747	1.7
397.13553	2.9
415.14819	1.6
515.61584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33209	0.5
59.70332	0.4
60.99310	18.6
61.98837	0.7
70.35141	1.1
78.28835	0.4
85.00457	0.9
87.00887	2.0
88.00398	1.9
88.98815	100.0
89.02453	22.2
89.99125	0.6
127.62701	0.5
145.63496	0.6
166.73491	0.4
186.43115	0.4
196.19193	0.4
277.21783	1.0
337.26718	0.4
392.80591	0.4
397.13434	1.6
410.56494	0.4
415.14883	0.5
537.82172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4432
Annotation	Pictoside A
Peak:m/z	Relative Intensity
54.88679	0.6
57.03449	0.7
59.01385	27.3
61.98833	3.4
70.17896	1.0
70.18227	0.8
71.01387	12.0
71.01764	0.4
71.05011	1.7
72.99310	1.0
73.02953	2.9
83.01393	1.6
87.00859	1.7
89.02452	6.1
96.07701	0.5
99.04475	0.6
101.02454	4.5
103.04044	0.7
113.02467	1.6
115.03988	1.0
131.03508	3.2
143.03471	1.1
169.02399	0.5
174.46455	0.6
195.73680	0.6
241.57346	0.7
289.18323	0.8
439.32208	2.2
445.24533	1.6
446.03064	0.6
487.34357	11.8
488.34589	0.8
601.37726	4.7
619.38574	6.5
620.38550	1.3
765.44348	100.0
766.44708	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	766.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	16.2
60.65938	2.0
64.64671	1.8
65.00320	3.9
67.92371	2.0
69.03475	2.5
71.01398	13.3
72.99303	6.4
73.02947	4.9
75.30589	2.2
85.02962	6.4
89.02451	14.6
91.01905	17.8
97.02927	2.4
98.22683	5.5
99.00886	9.4
101.02435	4.1
103.86232	2.1
105.10231	2.0
108.02201	10.6
109.02984	6.4
111.00912	2.6
113.02439	3.5
117.32658	1.9
119.34279	2.4
123.04527	44.7
125.02463	4.5
130.06622	5.6
131.03680	3.7
142.06601	2.6
144.04553	7.6
144.08208	2.1
146.06129	30.3
152.01176	10.5
153.01927	6.2
156.08167	2.2
158.06104	4.7
160.07718	3.5
167.03514	100.0
168.03780	2.9
169.18915	2.0
170.06027	3.1
173.10214	2.1
188.07097	6.8
190.05078	3.9
191.05653	3.1
200.07213	5.0
250.11148	2.4
272.09235	2.7
422.14777	2.9
440.15347	2.7
477.58353	2.3
554.18732	10.7
598.17664	24.6
599.17798	3.0
722.23108	5.5
766.21954	55.8
767.22284	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	767.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56983	2.0
57.03443	2.2
59.01086	2.4
59.01385	45.7
59.82441	2.1
65.94223	2.0
69.03468	8.8
70.61221	3.2
71.01391	41.0
72.99332	2.5
73.02960	4.4
73.62460	1.6
75.78644	1.7
75.97925	1.8
83.01397	3.5
83.05030	21.4
85.02962	10.9
87.00895	8.7
88.39879	1.9
89.01924	3.8
89.02453	32.9
93.03468	4.0
95.01411	4.1
95.05018	3.5
99.00870	3.2
101.02456	29.4
109.02944	3.2
111.04526	22.9
112.01685	5.9
113.02464	45.8
115.04047	3.1
119.03522	11.6
123.04536	3.7
125.02503	2.7
127.04058	2.6
131.03485	11.1
133.05045	3.0
135.04652	2.2
137.02467	8.1
138.25388	2.3
139.03966	1.9
143.03474	2.8
149.04567	2.8
155.03551	6.0
161.04576	6.4
167.03564	4.7
172.12274	2.0
173.04518	3.1
179.03479	3.1
179.05641	21.4
197.04530	2.4
212.41666	1.8
215.02588	2.1
241.46188	1.9
275.07758	60.6
282.71106	2.0
293.08795	67.4
317.08783	28.1
347.10025	10.5
365.10745	3.7
377.10657	3.2
395.11905	10.2
455.14209	12.9
459.87271	2.0
551.16132	33.8
551.24091	2.4
552.16376	2.9
557.61639	2.2
569.17267	100.0
570.17603	5.6
587.07440	2.6
593.17212	21.1
605.17914	2.3
611.18701	4.1
623.18616	8.7
641.19623	3.3
653.19574	4.9
783.18561	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	767.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	52.1
69.03461	8.6
69.57009	7.0
71.01386	34.8
73.02954	4.4
78.11983	1.7
83.01373	2.4
83.05035	22.9
85.02950	13.0
87.00886	7.1
89.02455	33.0
93.03478	3.1
95.01395	2.1
98.21809	2.2
101.02449	25.2
109.02956	4.1
111.00878	2.1
111.04531	20.4
112.01686	7.7
112.40987	1.8
113.02463	47.7
119.03526	12.4
121.95586	1.6
123.04515	5.7
125.02390	3.0
127.03988	2.9
131.03525	11.8
131.59019	1.6
133.05020	2.9
137.02449	6.9
141.05591	1.7
143.03464	2.9
155.03525	8.1
161.04576	5.2
167.03503	4.2
173.04544	3.8
179.03601	1.6
179.04182	2.0
179.05620	18.6
185.04619	1.9
218.40086	2.1
227.45799	1.8
268.26065	1.8
275.07758	62.0
288.02832	1.7
293.08820	62.4
294.09045	2.4
313.73611	1.9
317.08792	27.8
329.08792	3.9
347.09839	7.1
377.10931	3.0
378.85825	1.7
395.11954	12.5
437.12903	2.1
455.13846	11.8
548.50336	2.2
551.07672	2.1
551.16089	39.8
552.16290	3.1
569.17279	100.0
570.17670	5.5
593.17206	26.0
594.17676	2.0
595.54608	2.1
605.17523	2.8
611.18097	4.4
623.18164	5.2
641.19501	4.1
653.19446	4.2
671.20709	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	767.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	6.4
59.01374	2.3
70.02991	6.8
71.01377	1.3
72.00896	1.8
72.04540	1.4
74.02479	44.5
87.00886	1.1
89.02469	0.9
90.23154	0.8
96.96035	1.1
98.02494	9.4
109.02979	1.3
116.03558	9.2
116.05068	17.9
116.41873	0.8
121.02975	2.0
125.02466	0.9
130.06590	1.5
134.03767	6.3
135.04543	1.1
137.02423	1.0
142.06639	4.0
149.02411	3.5
149.06088	2.5
150.03244	9.2
151.00372	1.4
159.09253	3.3
165.05606	8.0
178.02747	2.9
179.70647	0.9
180.04298	1.5
193.05083	12.8
194.05592	1.1
195.06642	5.8
201.10316	3.3
203.08276	43.3
204.08582	1.0
245.09322	100.0
245.85164	0.9
246.09653	3.2
271.02551	1.8
271.10052	1.0
282.09036	1.9
299.01791	1.5
341.10324	8.1
356.99106	1.4
389.12363	8.4
399.00299	4.3
411.00415	2.3
428.87552	0.9
465.01266	1.0
477.14142	11.9
647.09058	3.6
767.24048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	16.6
65.64945	0.5
71.01379	0.6
73.18059	0.6
73.87388	0.5
82.95403	0.6
85.00486	0.6
87.00888	1.7
88.00412	1.9
88.98816	100.0
89.02453	17.0
89.99147	0.6
98.22696	1.1
279.23221	0.9
286.07288	0.5
305.56644	0.5
397.13565	0.9
434.96805	0.6
698.15991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	16.8
69.10320	0.2
72.78469	0.2
82.73568	0.2
87.00887	3.6
88.00414	1.9
88.01231	0.4
88.98815	100.0
89.02451	11.6
89.99127	0.4
99.40369	0.2
100.40028	0.2
140.03348	0.2
151.89142	0.2
152.76782	0.2
195.06737	0.2
249.20088	0.3
285.04242	0.4
286.13812	0.3
325.87363	0.2
343.27835	0.2
632.47729	0.3
677.49359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01382	4.2
68.99812	0.3
71.01387	5.0
71.34097	0.4
72.99318	0.6
73.02953	0.5
75.00873	1.1
83.01402	0.4
85.02956	6.0
87.00885	3.3
93.03449	0.8
95.01397	1.5
97.28339	0.3
99.00884	2.1
103.00356	1.4
107.01376	0.4
109.02989	0.3
111.00940	0.3
113.02460	9.4
117.01994	0.5
117.03468	0.3
129.01945	0.5
133.03055	0.3
136.01627	0.3
137.02458	0.4
143.57028	0.2
151.00357	0.6
154.04245	0.5
159.04523	0.3
163.00433	0.5
165.01938	0.5
169.06590	0.6
171.04538	0.3
175.02504	4.6
181.07114	0.3
185.06096	0.8
187.04054	0.9
199.04033	0.4
211.04135	0.3
213.05547	0.8
214.02711	0.5
215.03587	0.3
222.71138	0.3
227.03575	0.6
229.05045	1.5
239.03500	0.8
243.03166	0.3
255.03004	0.5
257.04648	0.6
285.04062	100.0
286.04407	4.1
357.13492	0.5
369.02704	0.3
461.07285	3.3
584.30200	0.3
593.14832	0.8
769.18390	7.4
770.19269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.0
57.03465	7.7
59.01386	53.3
65.03979	1.3
67.01905	3.2
68.99839	2.0
69.03450	5.6
71.01395	20.1
71.43238	1.1
72.99329	2.8
73.02955	13.6
81.03466	6.2
83.01396	6.1
83.05037	3.6
84.02161	1.5
85.02961	100.0
87.00883	22.9
89.02468	1.3
92.96024	1.2
93.03480	6.7
95.01398	21.6
97.02964	6.5
99.00899	2.8
99.04545	6.0
101.02458	4.3
101.97945	1.3
107.05003	1.2
109.02972	8.8
111.00905	10.2
113.02464	32.1
115.00377	17.4
121.02972	1.9
123.00883	2.4
123.04545	1.6
125.02447	3.2
127.04028	30.9
129.01956	5.3
133.02991	2.1
135.04533	2.4
137.02448	3.4
139.00404	16.0
145.05110	7.2
149.02475	1.6
151.00385	1.5
151.04022	1.3
153.01950	1.2
155.03494	3.5
157.01447	21.6
161.02513	1.3
169.05061	4.4
171.02959	1.2
173.04576	4.1
175.02505	3.6
179.03484	2.6
181.01437	2.2
191.05627	4.0
196.05600	1.0
199.02495	47.7
215.05681	2.2
217.03543	38.5
218.03893	1.5
229.05199	1.0
236.99194	1.1
241.03520	1.2
241.07083	1.1
259.04617	10.2
271.02481	1.4
276.90698	1.1
285.04031	59.1
286.04416	3.4
299.02023	1.6
303.07367	1.3
345.08286	28.9
363.09213	8.5
387.09344	15.1
405.10385	4.9
407.06479	1.3
458.28796	1.2
498.64420	1.6
507.53983	1.3
605.13678	2.7
665.15979	8.1
751.19623	9.3
769.19849	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	769.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03450	1.7
59.01386	32.6
65.05436	0.6
67.01893	2.2
68.81562	0.8
69.03443	1.5
70.07567	0.7
71.01390	9.5
71.59432	0.7
72.99329	1.1
73.02942	2.2
81.03461	2.8
83.01398	4.5
83.05021	2.0
85.02465	1.4
85.02964	25.0
87.00874	5.0
89.02446	2.0
90.49262	0.8
93.03466	5.4
95.01403	14.6
97.02950	1.7
99.00887	2.2
99.04510	2.6
101.02441	1.9
103.00340	0.9
103.03951	1.0
108.02175	0.8
109.02960	5.4
111.00901	14.3
111.04534	1.1
113.01709	1.3
113.02464	16.1
113.03245	0.8
115.00368	1.6
119.05025	3.2
121.02997	0.7
125.02346	1.1
127.04034	6.5
129.01913	1.0
133.01448	1.4
135.00920	0.8
135.04521	2.1
137.02411	2.0
138.54791	0.7
139.00388	14.4
145.05086	3.4
149.02402	0.7
151.04048	0.9
155.03543	4.3
157.01465	2.0
161.02464	1.3
163.03986	4.4
163.06102	1.3
164.07216	1.3
169.05017	1.0
171.02977	1.3
175.02502	9.0
179.03447	1.9
181.01620	0.8
185.06096	1.0
187.03999	1.2
191.05640	1.4
199.02484	14.5
199.04123	1.3
206.08188	2.1
229.05060	1.7
239.03644	1.0
241.03519	0.9
257.04468	1.2
285.04065	100.0
286.04517	3.7
303.07114	3.0
345.08313	6.6
387.09351	6.3
388.71848	0.8
405.10352	4.1
443.47250	0.7
461.07227	3.2
551.16235	1.5
569.17651	1.1
597.17401	1.4
769.18311	10.3
770.19415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.4
61.98857	0.3
63.02424	0.2
65.00370	0.2
69.33566	0.3
69.33955	0.5
74.21103	0.2
75.13375	0.2
83.01439	0.4
85.02987	0.3
88.34080	0.2
89.02473	0.3
93.03507	0.3
98.30911	0.2
101.02439	0.3
107.01435	0.4
116.92928	0.3
123.71281	0.2
133.03026	0.4
134.03780	0.4
135.04599	0.4
145.05144	0.2
151.00420	0.8
161.02466	0.2
179.03560	0.2
179.05412	0.2
191.05632	0.3
195.06691	0.2
199.04109	0.3
200.04956	0.2
211.04095	0.2
227.03572	0.5
240.04378	0.2
255.03020	2.6
256.03833	2.0
269.04776	0.3
271.02530	0.7
283.02542	1.1
284.03287	58.2
285.03726	2.6
297.04065	0.6
298.05035	0.2
299.05612	100.0
300.05972	4.0
434.74567	0.2
552.16650	0.2
682.34015	0.2
769.22113	4.6
770.21387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51034	3.2
70.62067	3.1
82.78580	2.6
189.02020	4.8
190.02618	4.1
230.00752	3.6
234.18660	2.8
243.06596	31.9
245.95984	2.9
257.08121	3.9
271.09744	5.9
272.01767	11.4
281.06714	6.8
283.04651	12.6
297.06146	6.5
304.00763	9.1
325.05682	20.0
328.13220	14.1
339.07172	8.4
343.15540	36.0
351.10889	8.2
369.11874	7.7
397.98923	3.2
425.14594	100.0
426.14682	9.7
433.47284	3.5
470.08386	4.2
471.09274	3.8
697.60681	3.3
709.28809	87.1
710.28857	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	769.308
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38762	2.9
67.90044	2.6
76.50397	2.8
98.22704	8.7
113.17130	3.3
165.21227	2.8
184.48238	3.2
189.01949	8.6
190.02826	5.9
269.08179	19.5
270.03568	3.4
311.07712	4.7
311.12927	5.9
313.11078	4.9
327.12390	13.0
328.13263	17.2
335.07785	36.4
343.15448	33.2
351.11069	22.4
353.08597	16.2
395.09784	15.3
401.01740	3.1
425.14606	100.0
426.14880	12.2
489.36017	3.5
507.18417	4.7
709.28748	75.1
710.28717	14.5
731.02423	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	769.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
61.98830	0.9
64.12833	0.7
69.49535	3.3
71.01376	0.9
72.99314	4.3
73.99668	0.7
78.27664	0.6
88.98814	0.7
89.02461	2.2
92.92800	1.0
92.97497	100.0
101.02472	1.5
235.08336	0.8
245.78647	0.9
277.21735	2.8
307.49036	0.7
323.06494	0.7
373.43671	0.7
397.13632	6.2
415.14511	1.5
415.73306	0.7
428.66214	0.9
468.33514	0.8
562.02063	0.9
711.34406	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	770.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47739	0.6
59.01382	9.1
71.01392	14.8
71.05025	14.8
72.00906	0.7
73.02957	0.8
76.17567	0.6
83.05032	2.7
85.02935	1.3
88.04049	100.0
89.02448	4.7
89.04395	0.5
99.04521	4.3
101.02458	5.6
111.00942	0.8
111.04526	3.1
113.02451	3.5
116.03564	0.9
116.07201	2.2
119.03506	2.3
123.04541	0.9
129.05621	1.1
131.03513	1.5
137.02492	1.5
146.08244	44.9
155.03473	1.3
161.04517	0.9
179.05632	2.7
185.04651	0.7
215.22385	0.6
218.10341	97.1
219.10625	1.5
253.10208	0.8
275.07822	4.3
293.08810	21.5
294.09238	0.7
317.08798	11.6
347.09818	6.0
365.10739	1.2
377.11026	4.1
395.11960	3.2
649.16711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62081	1.5
59.01366	3.8
61.98838	2.0
70.07941	2.7
70.08272	3.0
96.94458	1.2
96.96032	1.9
106.06605	2.1
212.16234	1.5
233.09334	1.4
377.24258	1.4
445.16602	4.2
459.17950	1.9
460.19012	24.8
461.19638	4.0
473.19745	1.6
474.20670	7.4
475.21335	17.1
519.20477	33.0
520.20508	3.7
525.20715	1.8
532.21021	1.7
533.21844	10.5
534.22784	30.5
535.23492	3.4
620.26453	100.0
621.17407	2.1
621.27118	17.5
623.29077	2.3
711.66296	1.6
770.31903	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	771.178
Annotation	Kaempferol 3-caffeylsophoroside
Peak:m/z	Relative Intensity
58.02987	1.2
59.01383	2.4
60.74873	0.7
62.60985	0.8
62.98832	0.9
63.02397	1.2
70.02990	1.3
72.10121	0.7
74.02489	5.6
93.03424	1.3
96.95997	1.1
98.02480	1.0
105.03441	0.9
107.01398	1.8
116.03474	0.9
116.05087	2.7
119.05026	1.7
121.02988	1.1
132.02188	2.4
133.02972	45.7
134.03680	0.9
135.04546	6.7
137.02470	2.7
147.04453	1.4
149.02516	1.1
151.00383	4.0
161.02458	63.7
162.02782	1.7
163.04004	2.3
166.02815	1.1
175.04039	1.4
177.01828	0.9
179.03482	3.7
181.05057	2.4
197.45918	0.8
199.03998	1.9
201.02043	1.1
203.08273	6.2
217.05263	1.8
231.50757	0.9
245.09334	16.0
246.09715	1.0
256.03827	1.9
284.03281	43.6
285.04053	100.0
286.04422	4.2
309.04086	0.9
327.04999	2.1
416.68271	0.9
417.15491	3.5
447.09320	3.4
481.13254	1.6
591.13330	1.6
609.14471	31.7
610.14563	3.5
771.17773	72.8
772.18170	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	771.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	1.0
61.98819	0.6
63.02393	1.0
65.00320	1.4
71.01355	0.6
73.02922	0.3
80.69128	0.3
83.01366	1.0
85.02917	0.4
87.00889	0.4
91.01887	0.3
93.03469	1.6
95.01400	1.4
99.65457	0.3
101.02441	0.3
105.22827	0.2
107.01411	2.2
109.02961	0.3
117.03455	2.4
123.04491	0.3
132.02145	0.3
133.02988	2.4
135.00880	2.2
135.04567	1.6
137.02434	0.4
141.03470	0.6
149.02451	0.5
150.03220	0.9
151.00392	4.2
152.00981	0.3
153.01932	0.6
155.05009	1.2
159.04520	1.2
161.01466	0.3
161.02495	2.4
163.00389	18.1
164.00600	0.3
165.05505	0.7
167.05006	0.3
167.06470	0.3
169.01439	0.4
171.04538	0.7
173.02455	0.4
173.06018	0.4
177.01903	0.5
178.99864	2.1
179.03471	0.9
182.03758	0.9
183.04518	6.5
184.04953	0.3
185.02441	1.1
185.06181	0.3
187.04042	0.4
191.05600	0.9
195.06573	0.5
199.04068	0.7
201.05600	0.3
206.99435	1.5
207.99986	0.3
209.02515	0.3
211.04008	2.6
215.03574	0.3
226.02744	0.5
227.03589	2.5
229.05017	0.6
239.03363	0.4
245.04504	0.8
255.03012	42.6
256.03442	1.4
257.04523	1.3
273.04053	1.1
283.02505	100.0
284.02930	3.8
285.04056	17.5
286.04379	0.8
301.03619	1.7
325.03616	0.7
397.40253	0.3
433.59726	0.4
467.12064	3.8
469.13596	1.4
621.14673	0.5
633.14642	4.8
639.33716	0.4
725.17566	0.4
740.16315	0.3
753.17120	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	771.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
59.01360	4.9
65.00303	1.8
68.00195	1.0
71.01377	2.6
73.53173	1.3
83.01374	1.7
89.02461	3.3
101.02408	2.1
107.01364	3.6
109.02940	1.7
113.02407	1.6
125.02441	6.3
133.02896	1.8
135.04515	1.8
137.02510	1.2
151.00375	10.1
151.03992	2.6
161.02373	1.2
163.00320	2.0
164.07048	1.2
177.01956	1.1
178.99905	9.2
179.03413	1.3
190.02782	1.8
199.04007	2.1
205.05025	2.8
206.08197	4.7
226.02675	4.4
227.03529	6.0
243.02956	14.8
254.02246	7.0
255.03043	10.9
271.02493	81.1
272.02945	4.8
299.01971	39.7
300.02756	100.0
301.03528	57.7
301.23727	1.2
343.04706	1.3
374.34964	1.2
383.13419	1.4
391.64896	1.2
463.08850	98.9
464.09171	2.8
529.57385	1.7
609.14496	16.8
631.12555	1.2
654.34644	1.1
771.19843	55.4
772.20587	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	771.1994
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
54.45182	1.0
54.48048	0.9
59.01368	1.9
59.08271	1.1
69.35321	5.2
107.01451	1.4
109.02951	1.8
121.02937	1.6
127.81985	1.0
151.00383	10.3
163.00383	1.2
165.01926	1.0
178.61743	1.1
178.99825	3.1
196.31247	1.1
197.84575	0.9
199.04008	3.0
213.69089	0.9
215.03647	1.0
227.03531	3.0
243.02966	6.0
255.03018	5.9
271.02505	66.7
272.02942	2.2
285.03778	1.1
299.02005	100.0
300.02734	32.2
301.03543	44.2
387.87222	1.2
462.08002	10.8
463.08734	6.2
484.20480	1.1
501.45447	1.0
609.14606	35.2
610.15002	1.4
668.86890	1.0
771.19995	62.1
772.20581	2.7
792.16284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	2.5
63.02398	1.5
65.00329	2.5
69.30921	3.3
83.01370	1.1
88.98808	12.5
89.02448	1.1
95.73483	0.6
107.01396	5.0
109.02921	0.9
113.12086	0.7
121.02957	3.5
125.02435	0.7
135.04439	0.7
137.66873	0.7
151.00378	23.6
163.00418	2.0
178.97224	0.6
178.99898	9.4
199.04076	0.7
201.05521	0.8
206.08163	0.7
206.72655	0.6
211.04016	0.9
226.02679	1.1
227.03487	2.0
229.05043	0.9
234.15997	0.7
243.03001	5.5
245.04581	1.4
246.88155	0.7
250.95900	0.7
254.02136	1.6
255.03023	15.3
256.03500	0.8
257.04626	0.9
271.02505	36.6
272.03131	2.0
273.04013	1.1
285.04144	1.6
299.01855	3.6
300.02774	72.6
301.03540	57.6
301.07166	1.6
302.03906	1.7
345.37531	0.8
463.08801	9.6
564.86871	0.8
609.14618	100.0
610.15375	4.3
663.40997	0.7
771.19525	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	771.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49155	0.4
60.99308	17.6
72.94983	0.4
76.30004	0.4
80.73940	0.4
85.71515	0.4
87.00877	1.0
88.00430	0.5
88.98811	100.0
89.02439	5.8
125.02443	1.6
136.01630	0.4
151.03990	1.2
153.32281	0.5
198.12805	0.4
271.32822	0.4
285.04141	1.6
300.02664	0.6
301.03720	1.2
357.13632	2.1
423.14102	0.5
609.14746	1.5
788.74097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	23.5
61.98837	6.0
67.84142	0.8
69.99404	1.8
69.99765	1.6
70.89168	0.8
71.01376	2.0
73.02928	1.0
73.94553	0.9
85.06563	1.6
88.98743	0.8
89.02423	1.1
93.03463	1.6
97.02994	0.9
98.21981	1.4
101.02424	3.2
113.06059	1.2
119.03513	0.9
121.02925	4.8
122.03753	1.4
124.01684	1.0
129.02025	1.1
133.03061	0.9
136.01755	1.0
139.04005	6.0
146.66518	0.8
149.02449	64.2
150.03235	21.7
158.57901	0.9
164.04803	14.1
165.05569	26.8
166.06328	4.9
167.07123	2.9
169.33061	0.8
179.03426	1.1
180.04172	1.2
181.08690	3.4
191.05627	1.4
195.06619	14.8
220.00331	0.9
257.04333	0.9
283.02292	0.9
283.09616	2.1
294.17514	0.9
299.05338	1.0
314.11618	27.2
315.12009	1.6
329.13947	100.0
330.14267	4.3
356.12723	4.9
371.15012	31.8
372.15286	1.2
377.16064	49.9
378.16400	1.8
419.17142	12.3
452.02673	0.9
499.43680	0.9
771.20941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
73.02947	0.4
73.26456	0.2
75.00874	0.6
99.92593	10.2
114.93464	0.3
116.92874	100.0
116.97260	10.9
117.01962	1.6
117.92873	2.9
137.65211	0.2
313.18976	1.4
460.18906	0.3
505.25839	0.3
620.26636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37717	0.4
79.56633	0.4
93.71960	0.5
102.93958	0.4
106.74798	0.4
107.67535	0.4
126.85381	0.4
149.43410	0.5
149.70929	0.5
193.00163	0.4
300.47809	0.5
345.56799	0.5
379.29877	1.1
395.29352	2.6
407.33435	1.1
423.32767	3.9
425.34131	1.5
448.00748	0.5
469.33252	100.0
470.33514	8.2
582.55103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10499	0.7
61.98830	0.9
63.05457	0.6
69.16083	3.4
71.01384	1.2
72.99282	0.8
79.95742	14.8
85.06588	5.6
95.95229	2.7
96.96014	100.0
101.02401	0.9
110.97585	29.0
113.06074	4.2
115.04010	6.9
121.02982	0.7
127.41782	0.6
157.04982	0.7
161.02422	0.9
176.01244	0.6
177.01857	0.8
194.09848	0.7
215.68019	0.6
261.04382	1.0
267.15945	0.8
269.04456	1.1
269.08176	0.9
273.04312	0.8
283.09824	0.8
300.10440	0.8
313.10825	2.5
314.11343	1.3
315.12064	0.8
327.12180	0.7
328.13287	1.0
329.13818	1.7
394.07294	1.2
408.08887	2.3
409.09656	6.3
421.09714	1.3
423.11469	1.4
439.10773	7.2
453.12402	1.4
497.81384	0.7
773.23297	63.9
774.23584	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	773.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36452	1.0
57.03451	1.5
57.35128	1.1
59.01384	12.1
59.24398	1.1
61.98838	100.0
69.03452	3.1
70.35281	2.4
71.01391	10.5
72.24783	1.0
73.02941	3.0
83.01391	1.2
85.02952	4.7
87.00894	1.7
87.04504	5.1
88.98799	2.0
89.02458	5.6
93.03462	2.3
96.96015	3.0
97.02959	1.7
101.02435	4.7
108.02189	47.2
109.02975	32.7
110.80310	1.2
111.04490	1.1
113.02477	7.3
121.02949	2.9
122.03734	2.3
123.00912	1.4
123.04538	2.0
125.02415	1.6
127.00251	1.1
131.03526	2.0
133.02937	2.0
134.03737	1.6
135.04520	4.5
136.01672	2.0
137.02420	1.4
137.09708	5.1
149.02444	3.6
150.03267	11.3
151.00339	1.3
151.03993	3.1
152.01175	51.2
153.01952	18.1
153.05472	1.3
155.10786	18.1
155.96330	1.1
161.02408	3.0
161.04526	1.7
163.04005	1.3
164.04863	1.4
165.05582	12.1
169.12415	1.8
177.01889	2.1
179.03514	2.4
179.05649	1.3
179.10663	1.1
180.20665	1.2
181.08717	1.8
183.40509	1.2
195.06685	7.4
199.09769	10.3
211.09779	1.4
213.11281	2.2
241.10817	7.0
285.04184	1.5
294.57608	1.1
343.56339	1.3
373.14954	3.1
387.14343	1.4
480.83902	1.2
497.16336	1.5
503.19058	4.4
521.20215	6.3
535.20465	1.4
547.54474	1.1
569.22650	8.1
611.23456	5.8
687.35571	1.2
729.25970	2.3
772.41620	2.1
773.25079	88.0
774.25482	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	773.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86519	0.3
59.01375	0.8
61.98843	1.1
65.73479	0.2
69.49691	0.8
71.01400	1.2
78.95914	4.1
79.95747	3.3
89.02453	0.3
90.97157	0.4
94.92512	0.3
94.97217	0.5
94.98090	0.8
96.00901	0.6
96.96022	100.0
96.96913	5.1
98.02522	0.3
98.22570	0.4
101.02446	0.3
103.92009	0.2
104.33117	0.2
118.96626	0.6
125.02457	0.3
128.98734	0.3
140.98727	0.3
144.98267	0.2
156.98184	0.5
182.99783	0.3
198.99245	0.3
200.81860	0.2
201.00874	0.2
211.48314	0.2
217.00381	0.4
259.01437	0.4
277.02307	0.4
277.21759	0.8
291.04086	0.6
333.05191	0.4
361.04633	0.7
375.18576	0.5
397.13666	0.8
401.20047	0.2
404.08472	0.2
407.17532	1.1
415.14594	0.5
435.08206	2.0
435.83231	0.2
452.06342	0.2
453.09454	4.0
564.73737	0.2
593.26587	0.5
697.32745	0.3
712.02130	0.2
713.30878	3.4
714.31781	0.5
729.10815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98844	1.5
71.01382	1.8
75.26916	0.2
78.15908	0.2
78.95907	3.2
79.95744	3.4
90.97170	0.3
92.61726	0.2
94.97202	0.8
94.98113	0.9
96.00916	1.1
96.96018	100.0
96.96902	4.0
97.02977	0.3
98.02461	0.9
99.00874	0.4
101.02441	0.5
114.94887	0.4
116.98698	0.2
118.96644	1.0
121.83748	0.2
128.98729	0.5
140.98734	0.4
144.98257	0.3
146.96211	0.3
156.98215	0.6
168.98158	0.6
170.99756	0.3
182.99817	0.5
194.99757	0.3
198.99298	0.3
201.00746	0.3
201.76695	0.2
213.00841	0.3
217.00388	0.3
229.00499	0.3
259.01385	0.7
277.21808	1.0
291.04031	0.6
296.82303	0.2
300.16342	0.2
301.02417	0.4
333.05206	0.5
361.04599	0.8
375.18640	0.6
397.13492	1.0
407.17343	1.4
415.14697	0.5
435.08139	2.8
453.09491	4.0
454.09616	0.4
580.36908	0.3
593.26642	0.8
697.33466	0.4
713.30786	4.9
714.31091	0.5
730.28485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15017	0.2
59.50776	0.2
60.17716	0.2
60.99313	0.8
61.98836	100.0
62.42430	0.2
69.62540	0.8
71.01390	0.4
75.33478	0.2
75.80315	0.2
76.25704	0.2
79.66742	0.2
88.98815	3.6
96.96027	0.3
115.68452	0.2
121.02987	0.3
171.85324	0.2
191.05670	0.6
193.05200	0.3
285.03949	0.5
347.42447	0.3
438.83105	0.2
444.67529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82675	0.8
59.01379	8.2
65.86650	0.8
71.01397	3.3
76.35709	0.8
89.02473	1.6
92.05072	3.5
101.02451	1.3
102.87527	1.0
116.05070	9.2
118.02993	10.8
118.03764	1.3
120.04596	1.3
128.05080	1.4
130.06642	10.8
131.03725	1.5
132.04549	2.1
132.08203	1.7
134.06120	5.8
142.06647	3.2
144.04565	100.0
145.04883	3.6
146.02493	52.0
146.06155	2.5
148.07712	2.4
158.06122	37.6
159.06404	1.2
160.04097	8.1
161.02409	1.0
161.04608	1.6
162.05620	8.1
170.71611	0.9
172.04166	1.0
174.05617	5.2
176.07190	22.4
186.05615	17.9
188.03578	2.2
193.01863	1.3
196.12338	0.9
204.06677	24.4
216.03502	1.0
216.06750	1.0
230.04620	4.0
232.02878	7.5
242.02277	2.6
243.99393	1.2
244.02875	5.3
246.00861	5.0
260.02420	6.8
262.00333	2.6
274.04007	14.3
286.00577	1.8
286.03903	1.4
288.01862	4.3
302.03537	9.1
306.09805	1.7
308.07819	5.3
324.10846	1.5
346.02597	2.1
350.08856	11.1
368.09863	83.3
369.10330	4.1
373.08514	1.5
401.08109	3.5
404.06918	1.0
406.05118	12.7
407.05319	0.9
424.05664	1.2
429.07709	7.0
447.08871	8.3
452.05319	1.5
466.06952	5.4
593.10669	4.6
611.11932	8.6
612.12299	1.2
775.16370	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	775.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57576	0.4
59.01371	1.0
60.99302	0.8
61.98836	3.3
85.02960	0.4
88.98817	1.9
93.03473	0.8
133.03018	0.5
135.04547	0.8
137.02467	0.7
146.03676	1.0
147.04570	0.6
151.00380	1.5
153.01932	0.7
159.04533	0.6
161.02435	1.6
165.05559	0.6
179.03557	0.6
179.07091	0.8
183.04504	0.5
185.06171	0.6
191.05716	0.9
202.08464	0.4
206.00053	0.5
211.03972	0.9
213.05426	0.5
227.03506	22.5
228.03830	0.8
239.03433	0.6
243.03070	0.7
255.00903	0.5
255.03003	36.4
256.03653	4.3
283.02524	11.0
284.03290	44.0
285.04065	75.9
286.04453	4.1
299.05560	0.5
327.05045	0.7
329.83838	0.4
431.09848	100.0
432.10202	9.1
577.19257	2.9
593.15283	6.0
594.15253	0.9
649.64575	0.5
739.21265	4.4
740.21277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86929	2.7
59.01388	100.0
61.98830	6.3
71.42506	2.4
83.12682	2.3
94.92528	6.6
103.00432	3.2
103.01509	75.0
114.54527	2.8
124.05987	2.7
133.72745	2.5
150.55013	2.8
150.85181	2.9
237.74382	2.7
277.21765	3.0
404.31015	2.6
433.62173	2.5
492.36588	2.9
541.38794	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	775.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12910	0.6
58.54543	0.6
59.01392	3.7
61.98844	1.5
69.52601	2.1
71.01392	2.5
89.02448	1.1
93.03480	4.3
96.96012	18.3
96.96616	1.3
101.02422	1.0
105.03432	0.8
109.02982	1.1
113.02466	0.9
119.03573	0.9
121.02944	3.9
122.03757	13.2
123.00843	1.2
123.04532	0.9
124.01698	0.9
133.02971	2.0
135.04543	1.5
136.01689	1.9
137.02448	4.4
149.02455	15.7
150.03235	100.0
151.00365	4.8
151.03648	2.1
152.01146	0.8
152.04886	0.7
161.02519	1.5
162.03186	0.7
164.04788	3.2
165.01926	2.1
165.05576	98.5
166.02722	14.2
166.04044	1.3
166.05907	2.7
167.03427	0.9
175.04005	0.9
177.01920	1.1
179.03531	1.5
180.04309	7.5
181.05069	17.9
192.04343	0.8
193.05046	1.0
195.06627	89.3
196.06934	2.2
201.47427	0.8
205.05070	1.5
220.07397	0.8
225.07689	0.7
257.23080	0.7
269.04584	2.4
285.04120	0.9
387.10519	2.4
387.14911	7.1
402.13141	1.9
409.37540	0.7
417.15558	31.9
418.15656	1.5
430.89395	0.7
565.20776	4.8
583.22272	1.9
613.22937	16.2
614.23016	1.9
775.25299	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	775.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.6
61.53117	0.8
61.57186	0.9
61.98832	2.0
62.11491	1.1
67.48893	0.9
71.01392	4.8
73.45242	1.0
81.03482	1.0
85.02937	1.6
89.02435	3.8
93.03471	5.1
96.95982	1.0
101.02442	2.0
109.02972	4.0
111.62713	1.2
113.02404	2.2
119.03513	3.1
121.02998	6.0
122.03750	16.3
123.00919	1.4
123.04556	1.4
133.02988	2.9
134.03746	1.2
135.04562	1.5
136.01651	1.8
137.02458	12.0
139.04102	1.0
146.03844	1.3
147.04524	1.3
149.02467	22.6
149.06117	1.1
150.03242	100.0
151.00386	5.6
151.03883	3.5
152.04797	5.8
153.01970	1.6
158.58369	1.0
159.04521	2.3
161.02388	1.4
162.03174	1.3
164.04785	5.6
165.05585	94.8
166.02731	23.1
166.05936	4.1
167.03412	1.6
175.03998	2.7
176.04846	1.1
177.01935	2.9
177.05589	2.9
179.03513	2.8
179.07175	2.2
180.04332	6.3
181.05086	31.9
187.04056	3.4
190.06331	1.5
191.05637	1.1
193.05089	3.1
195.06641	52.8
196.07021	2.3
205.05009	6.4
217.08803	1.2
220.07454	5.7
221.08218	1.2
269.10400	1.1
282.05377	1.2
315.08710	1.5
329.10251	2.7
341.10403	1.6
357.13333	1.1
372.11975	1.5
386.13324	1.7
387.10681	4.0
387.15070	5.2
402.13223	4.1
403.14044	3.5
416.14468	1.6
417.15594	47.6
418.15872	3.8
420.85394	1.2
535.16370	3.2
550.18542	1.6
565.20844	62.1
566.21362	7.5
583.22369	1.3
595.21643	2.5
611.63672	1.2
613.23004	34.7
614.23273	4.2
680.54974	1.2
775.26880	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	775.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
61.98833	9.8
66.62357	0.3
71.01382	0.9
75.33347	0.3
78.95914	3.0
79.95745	3.3
85.57658	0.3
94.92506	1.3
96.92220	2.2
96.96018	100.0
96.96899	3.7
101.02428	0.4
102.52303	0.3
133.86415	0.3
138.27278	0.3
142.47530	0.3
145.58681	0.3
215.38884	0.3
248.99701	0.4
261.24451	0.3
262.28107	0.4
279.23355	0.5
397.13382	1.0
407.33237	0.4
409.18817	0.6
435.08270	1.3
453.09546	2.2
502.77750	0.3
597.13617	0.4
657.34064	0.4
715.32007	2.0
716.32520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07299	4.8
58.01160	5.1
61.98824	18.5
62.47044	5.2
69.92207	16.5
77.60474	5.0
78.95908	6.9
79.98062	4.6
98.20217	5.7
124.24311	4.6
163.11385	5.4
171.10289	29.3
199.09770	13.2
199.71730	5.4
207.10287	34.8
208.32826	5.0
225.11342	75.3
235.08308	6.9
253.09348	14.1
277.21735	100.0
278.22290	8.8
402.56610	5.4
443.19208	12.9
461.20306	16.4
463.11719	8.3
513.30829	6.5
695.40039	21.1
721.41772	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.7
61.98834	13.3
65.40962	3.2
66.00007	3.5
67.23483	3.2
69.28652	6.7
69.29064	11.6
71.01395	5.1
73.02927	3.2
73.48696	3.0
85.00424	4.1
98.22636	6.4
101.02447	3.3
109.06616	8.4
137.09764	3.9
154.10910	3.1
163.11290	5.5
171.10280	13.7
195.08923	3.9
199.09723	26.6
201.11397	5.9
207.10266	40.7
225.11328	45.8
235.08090	4.4
243.12480	4.5
253.09325	14.2
277.21762	100.0
278.22104	5.6
435.18930	6.5
443.19327	11.0
461.20261	15.7
467.19427	3.5
493.47974	3.6
695.40265	43.0
696.40820	8.3
721.41693	42.2
722.42584	7.3
739.42932	5.7
775.40875	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	775.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62268	0.1
59.01378	0.4
60.87556	0.1
69.21979	0.5
71.01388	0.3
78.95909	3.7
79.95741	3.3
85.02905	0.1
89.02462	0.2
94.98091	0.3
95.97601	0.1
96.96017	100.0
96.96906	5.0
97.95930	0.1
98.21885	0.3
101.02435	0.1
116.05026	0.2
116.23125	0.1
130.96837	0.1
135.04536	0.2
137.02460	0.2
150.03262	0.2
160.04077	0.1
161.02452	0.2
165.01941	0.2
165.05571	0.2
168.39478	0.1
179.03543	0.2
179.98178	0.1
180.04294	0.2
181.05110	0.2
193.05042	0.1
195.06691	0.2
211.06169	0.1
225.07726	0.1
279.70157	0.1
293.08740	0.1
345.23477	0.1
525.68665	0.1
775.27515	0.3
775.47791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.3
59.90858	1.0
61.65363	1.0
61.98840	2.5
65.23600	1.1
69.20613	2.2
69.21019	4.2
76.18697	1.0
82.95412	1.2
86.45267	1.0
93.03483	1.3
97.84241	1.0
105.91859	1.2
112.13815	1.1
112.59347	1.1
121.02982	2.8
122.03779	5.2
147.04556	1.5
149.02461	6.5
150.03230	29.1
150.04361	1.9
162.03198	3.1
164.04802	2.3
165.01891	1.3
165.05579	22.5
175.04048	11.1
177.02014	1.3
177.05579	3.8
178.96964	1.0
179.07181	1.2
180.04274	1.9
190.06396	4.7
195.06631	10.9
207.06546	1.4
210.06822	1.3
218.05852	2.9
219.06665	1.1
221.06100	1.8
222.05228	2.4
222.07123	1.5
226.06340	1.3
237.05608	2.3
238.06355	4.8
241.05267	1.1
249.05595	1.7
250.06273	1.6
253.05090	2.8
254.05879	5.2
255.06616	1.4
257.04651	1.2
265.04984	1.5
266.05927	7.6
267.02875	1.0
269.08377	1.3
277.04977	2.1
278.05881	13.2
279.06665	3.3
280.35938	1.1
281.04660	3.0
281.08252	5.2
282.05371	3.4
291.06680	1.8
293.08157	1.6
294.05392	4.5
296.06671	1.4
297.07715	4.8
305.04483	1.2
306.05457	12.5
307.06003	11.9
308.06848	1.2
309.04016	3.9
309.07690	4.8
310.04794	4.2
310.08032	1.6
320.06958	3.9
321.07715	35.0
322.04736	4.2
322.08426	8.3
323.08923	1.6
324.06351	6.2
325.07208	26.3
325.11020	1.7
326.07724	2.2
335.09341	2.5
336.10074	14.1
337.07187	26.1
337.10730	3.0
338.07565	2.0
339.08743	16.3
340.09506	20.8
341.10190	3.9
343.11743	2.0
352.09619	7.4
353.10257	3.6
354.11169	8.5
355.08337	3.6
355.11917	55.5
356.12091	1.7
367.11877	100.0
368.12170	4.4
370.10602	3.4
385.13028	8.5
503.17206	3.1
533.18018	5.9
551.19330	3.2
581.20190	7.6
622.15796	1.2
699.24615	13.3
700.26270	2.0
729.25824	2.8
747.26233	3.2
777.28741	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	777.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03438	0.9
57.93680	0.8
58.00584	1.4
59.01383	100.0
60.01708	0.9
61.98833	5.4
71.01385	62.5
71.44982	0.8
72.99287	2.2
73.02950	2.2
82.95388	1.1
83.01374	2.6
85.02956	9.3
87.00887	2.1
89.02452	69.4
90.02787	0.9
95.01392	3.5
96.96013	2.2
99.39716	0.7
101.02450	35.1
102.53493	0.8
109.02950	1.4
113.01716	1.5
113.02458	22.5
119.03510	32.8
125.02401	1.1
131.03514	3.5
135.04559	1.3
137.02466	10.0
143.03520	3.7
145.60597	0.9
149.02466	0.9
149.04539	2.9
150.03140	1.0
151.03993	1.0
160.01724	2.1
161.02364	1.0
161.04558	5.4
164.01167	1.1
165.01936	53.9
166.02356	1.6
177.01929	0.8
177.05643	0.9
179.03497	10.7
179.05592	10.7
180.04288	29.1
181.04843	1.7
191.05658	1.3
191.39940	0.8
194.05852	2.1
195.06635	34.5
196.06906	0.8
210.05339	6.1
225.07695	34.6
226.07898	1.0
235.49695	0.8
242.09401	1.4
269.04663	0.8
270.08850	1.2
285.04077	1.4
285.11249	2.0
298.08295	2.3
310.08221	1.7
313.10944	1.7
325.10736	1.9
326.07959	2.0
341.10309	13.4
356.12518	7.0
359.15030	1.4
371.15021	28.2
372.15411	1.5
549.21417	14.2
550.21844	1.5
597.23523	1.0
615.23785	1.0
777.29279	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	777.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	14.2
70.82554	7.3
94.62702	5.1
96.96016	5.8
133.02966	8.3
150.15001	6.6
177.01904	8.6
178.02663	7.5
201.11314	31.3
209.11864	64.4
217.98952	4.8
227.12857	11.6
235.08299	10.7
241.28769	4.7
253.09348	14.1
277.21759	100.0
298.68527	5.2
336.76718	5.0
437.20239	8.5
513.30597	8.8
697.41156	6.1
777.42157	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	778.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17159	1.6
59.01384	17.6
61.98812	7.9
69.23177	8.8
71.01406	11.0
72.99312	1.8
73.02940	4.4
89.02451	12.4
97.02898	2.0
99.00892	10.0
101.02435	2.8
107.05041	5.2
107.50212	1.9
113.02430	2.9
117.03447	1.7
121.71299	2.0
125.02451	4.5
130.06593	4.1
131.03748	2.1
133.02971	23.2
134.03720	6.3
135.04535	100.0
136.04895	2.8
141.07936	1.9
144.04552	4.2
146.06136	22.5
156.08133	2.0
158.06139	2.9
160.07658	2.3
161.02451	57.1
163.03981	2.6
174.09114	2.1
179.03519	54.6
180.03873	2.6
188.07188	6.5
200.07179	3.0
206.08217	2.0
254.08205	3.2
572.19641	2.2
598.17487	3.9
616.18713	7.0
734.23041	4.6
778.22052	83.0
779.22656	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	779.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.3
61.98545	1.3
61.98832	8.4
64.51093	1.2
71.01368	2.3
71.41367	1.3
71.41753	1.5
89.02501	1.3
93.03461	2.8
95.29059	1.1
96.96012	6.3
104.90154	1.2
108.02199	2.8
109.02930	2.1
119.84811	1.3
121.02948	6.7
122.03759	13.2
123.04562	2.3
133.02977	4.2
135.04559	3.3
136.01683	2.8
137.02460	2.6
146.03758	2.6
147.04420	2.2
149.02449	22.2
150.03230	72.0
151.03931	2.6
152.01187	3.4
160.01668	3.7
161.02400	4.9
163.03944	1.7
164.04782	8.8
165.01967	2.5
165.05574	67.5
166.05928	3.1
175.04021	5.4
177.01929	15.0
177.05553	2.8
179.03458	1.7
179.07143	5.3
180.04376	3.0
181.05000	1.9
190.06354	3.5
193.04950	1.7
195.06630	45.7
196.06952	1.6
199.41116	1.5
212.08702	1.7
222.05359	2.3
223.07677	1.3
225.07762	1.6
237.05688	2.0
238.06427	3.6
240.07863	3.8
255.06609	2.4
256.07385	2.0
266.05972	1.8
267.06592	2.6
268.07419	10.5
269.04541	3.4
269.07721	1.3
270.08679	1.7
279.06580	2.8
280.07343	4.3
281.08160	2.6
283.06406	2.3
283.09772	7.8
284.06827	3.6
293.08221	2.8
296.06876	5.2
297.07660	2.6
298.08508	2.8
299.09207	6.2
307.06223	3.0
308.06888	8.1
309.07520	6.8
310.08264	2.9
311.05536	3.3
311.09247	5.0
312.06335	8.4
312.09671	2.7
313.10837	5.0
321.07870	2.0
322.08536	2.1
323.09277	12.9
324.06317	5.7
324.09937	11.6
325.10791	2.9
326.07956	4.2
326.11545	3.6
327.08820	27.4
327.12512	5.0
328.09091	3.1
337.10797	1.8
338.11423	4.8
339.08661	41.2
339.12381	10.8
340.09222	4.8
341.10269	6.0
342.11081	36.5
343.08044	2.5
343.11884	27.5
344.12024	1.9
354.11093	11.7
355.11743	6.0
356.12601	4.9
357.13449	92.7
358.13800	7.3
369.13446	100.0
370.13773	7.7
373.12979	2.1
391.14035	2.8
505.18185	2.2
515.98749	1.6
521.16644	1.9
535.19812	16.9
563.17474	2.7
583.21863	5.2
671.24866	2.1
678.66968	1.5
683.24103	5.4
701.25812	3.7
731.26855	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	779.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	9.6
61.98817	7.2
69.13629	32.8
71.01396	6.0
81.88889	5.1
93.03479	6.5
101.02447	5.9
110.47610	6.2
121.02960	7.7
122.03744	17.4
132.64572	4.6
133.02998	6.3
135.04524	7.7
136.01585	4.8
149.02451	22.7
150.03242	100.0
161.02420	8.2
162.03238	7.0
165.04288	10.2
165.05576	96.7
177.05537	16.0
179.03537	5.9
180.04279	8.9
191.05609	6.4
193.05092	5.9
195.06641	72.4
195.08322	8.6
268.07309	6.6
323.09366	8.3
324.09998	7.4
327.08743	18.8
339.08667	30.4
339.12323	10.9
341.10568	7.3
342.11035	21.9
343.11844	15.4
354.11102	10.6
357.13416	78.6
369.13467	93.5
619.06232	5.6
648.48315	5.5
779.29303	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	779.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00861	2.4
59.01390	25.0
61.89543	2.3
61.98819	7.2
71.01373	11.0
73.02944	2.8
80.05083	3.0
85.02947	6.0
87.00871	4.4
89.02445	9.8
96.96024	9.0
98.22646	5.4
101.02451	6.4
104.05099	3.7
106.06633	3.9
108.04576	5.5
108.08205	32.7
113.02449	5.7
115.57065	2.3
119.03465	3.3
119.45306	2.6
121.03004	3.1
122.06122	15.7
124.07698	16.8
132.04578	68.7
133.05347	43.2
134.06146	25.1
135.04514	4.1
136.01608	5.2
137.02478	3.0
148.03990	3.5
149.04825	8.6
150.03177	4.9
150.05635	35.2
152.07182	2.6
161.02377	3.0
162.05583	4.7
165.04327	16.9
165.05544	4.1
178.05132	4.8
179.03461	4.3
191.05540	3.9
195.06625	4.5
213.06638	3.3
214.12390	7.2
215.11935	12.4
226.12260	2.7
229.09813	7.1
229.13446	4.9
239.11951	2.7
240.10422	5.3
241.09808	14.5
253.13605	3.5
255.11427	9.3
257.12991	88.0
268.12448	3.6
269.13086	3.5
271.14603	21.8
272.14847	2.7
281.04416	3.4
283.10919	31.0
292.18481	2.6
301.11966	34.3
327.09802	5.4
557.24176	38.6
581.24042	7.8
704.00751	3.3
761.30463	65.4
762.30945	6.5
779.31427	100.0
779.45258	5.2
780.31561	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	779.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01719	0.5
72.75013	0.2
75.00870	1.1
81.24960	0.2
88.47694	0.2
102.95695	0.7
103.00384	3.5
103.01505	74.7
104.01862	0.5
123.40086	0.3
232.86664	0.2
235.10811	0.2
277.21600	0.3
502.49081	0.3
518.68274	0.3
614.76361	0.2
758.62781	0.3
779.47662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01720	0.6
61.98815	0.2
66.68253	0.1
75.00879	1.2
76.81410	0.1
101.02479	0.2
102.95712	0.5
103.00388	3.3
103.01503	66.0
104.01839	0.4
116.17094	0.1
117.61301	0.1
149.96278	0.1
200.94925	0.1
397.13379	0.2
484.64090	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	780.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57438	0.7
58.00583	1.4
59.01385	49.1
67.01919	0.9
69.49110	2.3
71.01388	22.4
83.01420	1.3
85.02955	4.1
87.00888	1.5
89.02452	25.6
93.03441	1.0
95.01400	1.0
96.90496	0.8
96.96029	1.8
101.02456	15.4
105.03501	0.9
113.02470	8.0
118.53188	0.8
119.03524	8.8
121.02973	100.0
122.03276	2.5
133.02977	2.9
135.04533	2.2
143.03416	0.9
147.83572	0.8
148.04068	40.0
149.04482	1.3
161.02460	1.2
173.10852	0.8
177.01903	3.6
179.03464	1.2
281.46124	0.9
323.13495	83.4
324.13901	2.8
371.49292	0.8
406.00427	0.9
456.15161	62.9
457.15530	4.9
466.04758	0.8
565.23798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2205
Annotation	Kaempferol 3-[2Gal-(4'''-acetylrhamnosyl)-robinobioside]
Peak:m/z	Relative Intensity
56.53020	0.4
59.01371	0.5
61.98833	14.4
69.39774	2.1
83.01368	0.4
93.03458	0.9
96.96014	0.5
98.22665	0.8
107.01421	0.4
125.02439	0.6
138.94449	0.4
150.03256	0.6
151.00409	1.3
156.70645	0.4
159.04539	0.5
165.05730	0.4
169.06618	0.9
171.04497	0.4
183.04579	1.3
185.06120	0.5
187.03976	0.7
191.05751	0.4
193.04987	0.4
195.06691	0.5
207.56888	0.4
207.91048	0.4
211.03976	1.3
214.87054	0.4
215.03586	0.4
227.03523	24.4
228.04022	1.3
229.05106	0.6
239.03351	0.5
241.05119	0.6
255.03017	41.5
256.03568	4.8
269.04425	0.5
283.02493	18.0
284.03290	38.7
285.04059	50.7
286.04437	2.2
327.05194	0.6
340.62708	0.4
350.44330	0.4
473.10922	100.0
474.11227	6.3
593.15161	1.1
781.22449	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	781.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02805	0.5
59.01379	2.2
61.98832	11.5
65.00319	0.7
74.98196	0.6
80.42474	0.5
83.01409	0.7
89.02447	0.6
93.03461	1.4
96.96011	1.6
101.02495	0.6
104.92734	0.5
107.01421	0.9
117.05630	0.5
135.11447	0.6
150.03192	1.9
151.00381	1.9
151.04012	0.8
159.04497	0.6
161.02509	0.7
162.23454	0.6
164.47897	0.6
165.05579	1.6
183.04565	1.9
191.05679	1.3
195.06567	0.8
210.20851	0.5
211.04079	1.5
227.03497	27.0
228.03931	1.6
239.03603	0.8
255.02995	51.0
256.03616	5.3
269.04541	1.1
283.02515	24.0
284.03268	41.8
285.04031	42.8
286.04416	2.1
341.10391	1.1
357.13351	0.9
413.08725	4.2
431.09708	6.4
473.10913	100.0
474.11215	8.0
491.20044	0.7
806.06097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75790	4.1
57.96683	3.9
59.01387	23.9
60.59604	3.9
61.98845	27.3
69.67759	15.6
71.01391	5.6
80.13633	4.0
89.02434	5.0
96.96012	15.2
101.94453	4.2
106.55098	4.0
108.02160	6.0
109.02959	10.3
112.92580	4.2
119.05077	6.1
121.02964	8.3
122.03748	9.8
123.04550	4.8
125.02485	8.5
127.76635	4.2
130.35493	4.1
134.03775	5.7
135.04500	11.7
136.01631	8.2
137.02438	8.2
144.23877	4.2
149.02423	15.1
150.03244	62.6
151.03981	16.6
161.02429	6.7
163.03925	5.0
165.01920	5.2
165.05568	65.7
165.19406	4.0
166.02702	10.6
175.03897	6.4
177.01874	11.0
177.05725	4.6
177.79636	5.4
178.02603	5.2
179.03484	6.6
180.04294	8.7
181.05112	20.3
195.06644	57.6
209.71281	4.2
211.60861	4.5
255.06679	5.0
273.45523	5.1
301.73868	4.2
343.12079	5.9
357.13464	6.1
380.09186	4.3
387.14520	38.2
535.19781	46.3
583.21899	100.0
584.22577	6.0
745.26141	8.9
752.12823	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	781.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98840	1.2
64.23815	0.5
75.00853	1.2
81.08293	0.5
82.13068	0.6
91.53959	0.5
102.95716	1.9
103.00395	4.0
103.01502	67.4
129.63643	0.6
134.79068	0.5
150.01585	0.5
228.80280	0.6
263.51978	0.6
293.21378	1.1
300.12006	0.5
380.02298	0.5
583.98199	0.6
705.84991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4393
Annotation	cimifoetiside A
Peak:m/z	Relative Intensity
55.01887	5.6
57.03470	4.1
58.00571	1.0
59.01385	52.4
61.98822	3.8
62.34934	0.7
64.34523	0.8
69.03464	0.9
69.21276	2.2
69.21680	2.5
71.01388	72.0
72.99316	2.3
73.02570	1.4
73.02956	20.5
75.00886	1.0
83.01397	12.8
85.02959	36.4
85.03480	1.8
87.00868	4.4
89.02450	18.3
95.01403	6.2
96.95991	0.8
97.02946	2.8
99.00892	6.9
101.02457	44.0
113.02463	30.6
119.03522	6.7
125.02458	3.2
131.03589	1.2
135.04541	2.0
143.03473	4.0
156.80142	0.8
159.03024	4.3
161.04570	23.0
179.03503	1.4
179.05612	3.6
201.25465	0.8
202.50829	0.8
221.06667	3.6
457.33249	21.3
458.33481	1.6
565.18677	0.9
619.38574	35.4
620.38892	2.9
781.43848	100.0
782.44299	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	781.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74921	29.4
65.72925	45.0
67.35862	36.1
68.81759	36.8
69.71530	100.0
82.86077	34.0
203.22101	41.1
310.49335	36.5
791.29657	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.5
59.01384	100.0
60.01687	1.0
61.98811	1.6
63.85601	0.9
67.80820	0.9
69.48582	4.4
71.01389	55.9
72.85519	1.0
72.99325	2.4
73.02952	0.9
76.13034	0.8
81.03469	0.9
85.02959	8.5
87.00887	2.8
87.51738	0.9
89.02453	92.8
90.02793	1.6
93.03429	1.2
95.01388	2.4
96.95988	1.9
101.02448	38.9
113.02456	26.2
119.03513	50.0
120.03906	1.0
121.02985	1.4
122.03782	4.6
125.02428	1.2
131.03514	4.6
133.02934	1.1
138.39481	1.0
143.03510	10.3
149.02477	7.2
149.04568	4.2
150.03241	24.0
161.04588	9.9
164.04855	2.0
165.05591	25.3
166.06099	0.9
179.05626	29.9
179.07184	1.8
180.04263	1.7
191.05586	2.2
195.06636	28.6
196.06856	1.0
270.09113	1.2
273.42297	1.2
285.11337	1.6
313.10938	1.4
326.07947	1.2
326.11597	1.2
340.12976	1.3
341.10376	8.5
356.12555	5.7
357.13116	1.3
369.13458	3.4
371.15002	30.1
372.15198	2.0
519.20148	11.9
520.20355	1.9
567.22443	2.3
571.95038	1.0
585.23651	1.3
699.26367	1.5
747.28687	22.6
748.29303	2.3
773.70636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29403	2.1
59.01386	86.2
61.77449	2.2
61.98820	9.1
69.32683	6.3
69.33091	3.9
71.01019	3.4
71.01389	47.5
72.99304	1.9
73.02969	3.2
74.02461	3.2
85.02981	5.5
87.00903	4.9
89.02455	100.0
91.73432	2.0
95.01382	2.4
96.96010	5.7
101.02452	41.9
113.02460	30.9
119.03516	53.6
122.03748	5.6
131.03542	4.4
143.03540	10.7
149.02406	4.3
149.04599	3.3
150.03233	31.1
151.03952	3.1
161.02357	2.8
161.04544	14.2
165.05569	30.1
179.03476	1.9
179.03993	3.3
179.05632	44.7
180.04233	3.6
191.05569	2.4
195.06657	29.0
270.09219	2.6
341.10318	14.6
342.00262	2.3
356.12531	5.3
357.41861	2.7
371.11179	3.9
371.15076	29.0
555.18530	2.7
583.21436	2.7
677.32434	3.1
747.28967	15.9
782.40991	3.2
783.41034	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	784.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
67.59493	0.9
69.21178	1.1
71.43293	1.3
78.95911	100.0
94.32908	1.3
96.96970	66.3
118.98100	1.1
134.04720	7.5
158.92546	7.5
162.98018	4.9
180.99118	10.8
195.00636	2.8
241.07304	3.2
255.08890	3.3
272.95929	1.7
273.19910	1.0
318.45114	1.2
329.65588	1.2
346.05588	24.9
408.01141	2.1
408.09317	1.1
437.08673	30.9
735.40442	1.3
784.14886	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	784.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
70.59837	1.1
70.60174	0.8
71.01395	1.1
78.02818	0.6
78.72398	0.6
78.95892	0.6
83.26203	0.6
85.02934	0.8
85.84669	0.5
89.02436	0.8
96.96043	0.8
109.02990	0.7
121.02967	0.7
137.02481	3.9
149.95331	0.5
151.00391	5.6
152.01094	0.8
152.04828	1.7
159.86629	0.7
161.02449	0.6
161.04565	1.0
166.02719	29.9
167.03406	1.1
175.04019	0.6
177.01884	1.6
178.34785	0.6
181.05075	46.7
182.05496	0.8
191.05559	0.7
192.04263	0.9
205.05040	0.7
205.08774	1.5
359.11304	1.4
387.10849	6.4
402.13318	5.6
417.15558	100.0
418.15878	6.5
464.80893	0.7
468.77194	0.7
499.56567	0.7
579.20782	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	784.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42080	0.2
61.98835	100.0
67.73775	0.3
69.51311	1.0
70.49141	0.3
78.52087	0.2
80.17440	0.2
104.58839	0.2
156.66417	0.2
178.86377	0.3
211.76619	0.2
277.21844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98836	100.0
71.45261	0.3
72.87017	0.3
89.32458	0.3
103.01534	0.6
144.33846	0.3
201.33604	0.3
209.11775	0.3
277.21790	0.7
278.22211	0.4
456.36581	0.3
504.78110	0.3
626.84161	0.3
649.45349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
61.98842	1.3
63.50093	0.4
65.21979	0.4
71.42287	0.5
82.16077	0.4
103.01472	0.6
104.59215	0.5
105.01950	1.4
108.90217	2.1
120.02170	4.5
121.02969	100.0
122.03306	1.5
122.82526	0.4
130.93936	0.4
165.01926	2.8
181.06630	2.9
191.03528	2.7
200.26649	0.5
209.04561	63.7
210.04860	1.6
225.05550	1.9
313.07220	5.2
357.06058	1.7
401.08817	11.0
471.58228	0.6
486.01071	0.5
785.17395	0.8
817.10565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.8
59.94760	0.3
61.98825	0.4
65.00327	0.6
69.43319	1.3
69.53559	0.4
71.01402	1.7
78.95923	0.5
83.01396	0.9
84.00111	0.3
85.02961	1.0
87.00860	0.5
89.02463	0.3
93.03439	0.7
95.01443	0.4
96.97018	0.6
98.21925	0.4
103.00377	0.5
107.01399	2.0
107.16542	0.3
109.02991	1.3
110.83341	0.3
111.06389	0.3
113.02473	1.0
115.00378	0.4
121.02967	1.5
125.02530	0.3
133.02975	1.2
135.04532	1.0
137.02461	0.8
149.02435	0.8
151.00386	7.4
155.87549	0.3
159.04510	0.4
161.02472	1.8
163.00475	0.7
169.01392	0.5
175.02446	0.5
177.05652	0.4
178.99886	3.3
179.03503	1.3
179.75896	0.3
191.05582	0.6
201.05672	0.5
211.04016	0.5
216.51984	0.3
227.03572	0.6
229.04900	0.4
245.04596	0.5
255.03047	1.8
271.02444	1.1
272.02881	0.4
285.04105	0.5
299.02039	0.9
300.02582	1.2
301.03561	100.0
302.03870	4.9
387.16476	0.6
399.61383	0.4
477.06686	0.8
497.95621	0.4
567.38776	0.4
573.28754	0.4
594.07819	0.4
609.14667	12.4
610.14642	0.9
623.18951	0.6
785.17810	10.6
786.18927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	77.4
69.57807	1.2
75.78065	1.1
98.21865	2.4
99.58614	1.2
108.30592	1.1
118.10319	1.0
145.02948	2.1
159.00891	2.4
161.02420	1.1
189.02002	3.1
190.02719	3.6
191.03349	1.4
199.07555	1.8
203.03497	2.0
211.07622	5.4
215.07027	1.5
222.01863	1.5
233.98004	1.2
241.31615	1.1
243.06607	29.4
244.07346	2.3
249.00993	1.1
253.14711	1.4
255.03484	1.2
257.08148	4.8
261.34912	1.2
263.02234	1.8
268.03732	3.1
269.04620	4.4
272.76260	1.2
277.00494	1.5
277.97263	1.3
281.01398	1.8
286.98706	3.6
287.99408	1.5
291.01825	1.9
297.04352	2.2
299.02310	3.7
301.00427	1.2
304.01132	1.3
307.01434	8.8
311.12857	3.4
313.04034	1.6
319.98489	19.5
321.02847	11.3
323.02231	2.4
328.13126	12.7
329.03360	3.7
330.56427	1.3
335.00760	1.7
341.03445	14.8
342.04251	3.2
343.15527	18.5
354.04459	1.7
355.05035	4.1
403.01389	1.4
441.12305	100.0
442.12598	4.6
472.04288	2.0
485.11340	2.3
487.06961	2.2
511.08875	7.3
584.89154	1.3
725.26520	57.0
726.26459	3.6
785.29150	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	785.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96486	1.1
61.98832	49.7
63.02374	1.3
63.40899	1.1
69.75674	4.3
102.75289	1.0
117.03455	10.1
119.05044	3.0
133.02937	1.6
145.02960	24.5
152.24538	1.2
159.00847	2.6
161.02475	1.6
163.04016	2.1
177.01884	1.8
189.01923	9.1
190.02696	4.7
204.04231	1.8
229.05040	3.3
232.97578	1.8
236.02974	1.2
243.06610	2.7
255.06627	1.4
257.08139	1.4
263.99432	2.5
266.89975	1.2
267.06656	2.9
269.04532	34.3
269.08154	16.8
270.08829	3.5
274.98734	1.6
277.00211	2.4
280.23071	1.1
285.00729	2.1
285.11282	4.5
307.01334	10.7
309.04266	1.9
310.11832	1.7
311.12912	7.8
312.09769	2.0
313.10696	5.4
319.98392	3.3
325.03827	2.9
327.12360	4.2
328.13177	16.5
329.13419	1.9
339.05194	1.7
341.03369	2.5
343.11627	2.1
343.15457	24.2
344.15656	1.9
351.05524	14.3
353.03479	1.5
365.07056	2.4
367.04980	5.9
367.08780	2.4
368.05417	2.2
369.06616	5.7
379.04788	1.5
381.06693	2.0
401.08755	2.1
408.76276	1.3
410.06683	1.9
411.07593	7.2
425.09079	2.9
426.09879	4.5
441.12311	100.0
442.12836	6.4
488.13547	1.3
535.49890	1.2
707.25525	6.0
709.23322	4.2
723.17181	26.4
725.26453	54.7
726.26660	6.0
767.46271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.5
61.98817	5.6
71.01360	6.0
76.38237	1.8
78.48463	1.6
88.98772	2.9
89.02443	4.6
93.03450	2.7
96.95967	4.5
101.02477	1.9
103.71598	1.6
105.97734	1.5
109.02938	3.4
109.77287	1.6
113.02461	2.1
121.55870	1.5
122.03670	1.7
123.00890	3.5
123.04515	3.3
124.01634	1.7
125.02408	1.8
132.02116	2.1
133.49799	1.8
134.03716	3.6
135.04593	2.8
137.02443	8.6
147.04543	1.8
148.01566	1.6
150.03198	3.1
151.03951	2.6
153.01945	3.9
154.02626	2.6
161.02440	5.0
162.03133	3.3
165.05527	2.1
167.03510	3.9
176.01161	2.3
177.01906	1.8
179.03442	2.8
185.06030	2.4
189.01917	3.8
190.02718	11.3
191.03461	2.3
193.05049	2.4
199.07649	28.7
199.32687	1.5
203.03502	3.2
222.01717	2.3
224.21384	1.9
225.05544	3.1
226.50946	1.5
227.07068	3.7
229.04976	6.0
230.05760	3.3
243.06633	25.9
244.07320	6.1
257.45505	2.1
311.12888	4.5
313.14465	24.7
329.14120	4.1
426.19479	1.7
451.12491	16.1
491.19266	100.0
492.19598	6.2
582.47974	1.9
785.28656	54.0
786.28711	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	785.305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	23.6
61.98855	5.3
69.85465	10.7
71.01390	18.3
73.02969	5.8
85.02949	7.3
88.51727	3.0
89.02464	5.1
106.06654	4.4
107.18119	4.0
113.02470	11.0
122.06145	4.6
132.04538	4.9
134.06137	36.8
152.07137	6.5
160.04037	4.5
174.55412	4.6
190.05104	8.2
190.69054	3.8
213.10390	10.9
239.11975	7.2
267.11407	9.7
277.09970	3.5
279.11282	4.5
285.12451	7.0
305.09396	5.3
327.13589	5.7
337.11914	4.4
340.14648	16.5
356.14206	6.3
357.31317	4.1
358.15527	4.8
359.50314	4.0
384.13440	7.6
396.13553	6.7
397.14108	5.6
398.15219	10.8
410.15128	6.0
412.16782	4.7
438.14917	4.5
484.65027	3.5
563.23010	4.6
573.21564	4.9
591.22620	6.7
753.27802	100.0
754.27710	16.1
785.30603	69.7
786.31244	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	785.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	23.1
61.98828	7.2
63.09097	3.5
63.46224	3.2
70.63715	3.7
70.64021	4.9
71.01389	23.5
73.02949	10.6
73.54570	3.8
78.35637	4.2
82.80605	3.5
85.02935	8.2
89.02457	8.4
95.01431	4.3
97.31348	4.0
101.02448	11.7
106.06564	7.0
113.02478	4.5
122.06164	5.7
132.04515	6.0
134.06131	45.4
152.07231	5.5
158.02409	4.2
160.04039	4.5
190.05124	9.2
213.10359	9.5
225.10455	6.3
260.31805	3.4
267.11304	9.1
269.04428	8.1
277.09869	3.9
285.12109	4.6
289.09454	3.9
297.21997	4.3
297.25253	4.0
327.13626	7.3
328.10541	4.3
337.12070	4.5
340.14609	23.0
342.12213	4.0
356.14059	8.9
384.13458	14.2
396.13422	3.6
398.14932	9.8
410.14960	6.5
412.16620	7.9
426.14691	5.6
517.21545	4.4
522.80786	4.4
568.63977	4.4
573.22382	4.0
591.22095	4.1
711.27264	6.5
753.27917	100.0
754.27826	11.4
785.30402	86.7
786.29791	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	785.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.9
71.01018	1.0
71.01384	11.2
73.02942	2.4
76.87179	0.8
83.01387	1.8
85.02962	4.5
87.00882	8.4
89.02449	3.8
95.01437	1.1
101.02455	6.6
112.98801	1.4
113.02457	3.0
119.03477	1.6
121.12722	0.6
125.09731	1.4
127.11333	1.7
130.99864	1.2
135.04469	0.8
149.00908	1.5
155.10764	2.3
161.02451	1.9
171.10252	4.2
199.09767	2.9
201.11343	14.6
230.01031	0.9
249.90654	0.7
263.32544	0.8
275.19925	0.8
293.21161	1.2
311.22189	2.7
329.23349	3.0
363.16751	1.0
455.26529	2.8
473.27573	12.8
474.27847	1.2
491.28729	13.7
492.29477	1.1
504.45694	0.9
617.91254	0.9
636.33197	0.7
653.33960	100.0
654.34137	10.1
785.34729	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	785.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	15.8
61.98812	3.2
64.42847	1.4
71.01368	6.5
72.82944	1.5
73.02943	1.8
81.71358	1.5
89.02431	3.8
97.49905	1.4
100.17406	1.3
101.02438	2.5
107.68843	1.4
109.22947	1.8
177.12903	1.4
225.87308	1.8
260.74445	1.5
296.47491	1.5
423.32635	2.3
471.34769	7.0
533.61475	1.8
585.38153	3.0
603.38654	2.0
749.44861	84.5
750.45135	4.7
785.42554	100.0
786.42413	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	786.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03354	0.9
61.98833	100.0
69.39378	4.1
103.12903	0.8
107.01348	0.8
117.03477	20.1
119.05002	4.4
131.94427	0.8
145.02968	42.1
145.04123	2.1
146.03299	1.1
149.02315	1.1
163.03990	2.8
164.56720	0.9
189.01917	0.8
229.04982	1.1
243.77608	0.8
251.31902	1.1
268.03638	1.5
269.04559	69.0
270.04904	3.8
270.08774	0.8
293.33710	0.9
312.13263	1.0
328.13065	1.3
340.83826	1.1
343.15463	1.4
351.05319	1.2
441.12302	7.7
442.12723	5.8
453.11639	2.4
527.91486	1.1
577.13385	2.0
647.54199	0.9
723.17249	48.9
724.17621	6.6
725.26617	1.7
726.26801	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	786.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98540	0.2
63.05750	0.2
64.03295	0.2
98.21823	0.6
117.03484	3.9
119.05042	1.2
119.10530	0.2
145.02969	8.0
146.03346	0.3
163.04082	0.4
163.89635	0.3
180.05807	0.2
210.06908	0.7
211.07639	5.3
211.09499	0.3
212.08029	0.4
268.03812	1.9
269.04556	13.4
270.04907	0.5
453.11990	1.2
511.08801	4.1
512.09283	0.4
517.81531	0.2
631.72266	0.3
723.17120	8.4
724.17267	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	786.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
66.17576	0.2
94.12298	0.2
116.21181	0.2
150.88530	0.3
173.19196	0.2
333.96191	0.3
338.42520	0.3
611.92957	0.3
631.37421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04026	0.5
58.32183	0.5
61.98834	100.0
74.43929	0.6
96.64213	0.5
100.77766	0.5
177.91412	0.6
182.67342	0.5
189.47050	0.5
198.85960	0.5
261.80194	0.5
269.38651	0.5
277.21719	0.6
586.84509	0.6
652.40344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41580	1.4
59.01380	20.6
61.98829	9.2
71.01392	11.5
71.44484	1.4
71.45198	1.3
78.15974	1.7
78.38956	1.5
80.05080	1.6
85.02959	2.7
87.00913	2.9
88.58986	1.2
88.98853	1.9
89.02448	8.1
100.78224	1.3
101.02480	7.1
105.01958	2.6
106.06638	2.1
109.33685	1.3
113.02457	4.2
119.03500	2.7
120.04559	2.1
121.02924	2.4
121.05440	1.4
122.06130	2.4
130.66423	1.6
132.04585	4.6
134.06125	12.4
135.04550	2.3
136.07707	3.7
149.04489	1.4
152.07092	1.9
161.04594	1.5
171.11856	1.5
193.05109	2.0
214.12331	3.5
218.85497	1.7
223.08739	6.1
224.09619	2.4
235.08772	2.1
239.11906	100.0
240.12337	2.6
241.09941	2.5
242.10629	4.6
249.10347	4.2
255.03279	1.8
257.12946	16.4
265.13446	59.4
266.13794	2.4
279.11334	9.8
283.10788	3.2
301.11926	5.1
327.13873	1.8
372.17224	12.4
384.17169	4.8
459.17792	6.1
481.52667	1.7
569.68243	1.9
635.02350	1.6
699.30353	80.7
700.31537	3.5
743.29358	4.7
787.28217	8.0
787.42847	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	787.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
58.00611	1.1
59.01385	100.0
60.01716	1.0
61.98839	0.9
69.78225	1.6
71.01389	54.6
72.99318	2.1
73.02954	1.5
83.01395	1.7
85.02959	9.6
85.44691	0.4
87.00893	3.0
89.02454	73.6
90.02795	1.0
95.01414	3.7
101.02454	29.3
113.02460	22.1
119.03518	29.0
125.02450	0.5
131.03531	3.9
143.03519	5.9
147.04509	1.2
149.04556	2.8
161.04568	6.0
165.05533	1.1
171.41464	0.5
179.04065	0.9
179.05627	11.9
179.07147	1.0
182.26582	0.5
187.70978	0.5
191.05586	1.6
200.27461	0.4
201.16879	0.5
207.06503	0.5
245.24411	0.5
285.03979	1.2
285.11392	0.7
298.08405	0.5
313.10797	2.2
341.10312	4.9
356.12650	3.3
370.23367	0.5
371.10806	0.7
371.15002	10.4
372.14914	1.3
510.60846	0.6
622.61212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	28.5
60.83205	2.7
61.45530	2.5
61.77087	2.5
61.98833	26.5
63.90932	2.9
70.64750	4.9
71.01389	17.0
73.02931	7.4
85.02966	7.5
88.60812	2.5
88.63581	2.4
89.02460	8.7
96.96059	5.6
101.02421	7.7
106.06629	6.1
113.02454	6.2
116.92871	4.1
119.03513	4.0
120.04546	3.3
120.08267	3.9
122.06123	20.9
129.94952	2.9
132.04579	3.9
133.02939	9.9
134.06145	41.2
149.02516	3.7
150.03209	2.9
152.07173	6.7
158.02470	2.9
177.01956	4.7
190.05067	6.9
195.06619	4.1
221.10753	7.8
225.10414	3.1
237.10616	3.0
239.11916	3.4
244.45056	2.7
249.10417	4.1
250.41357	2.9
250.74271	2.8
251.11855	4.0
263.08142	6.9
264.08994	9.6
265.09763	6.1
269.13004	4.9
277.09808	11.1
279.11404	16.9
291.08154	3.3
291.11423	8.2
305.09387	15.4
317.09143	2.9
320.81265	2.8
337.11871	6.5
342.15991	4.3
410.15536	3.3
472.18530	6.4
632.22626	15.2
664.25128	100.0
665.25677	12.8
755.29498	30.3
756.30048	4.3
787.31720	36.7
788.32843	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	787.413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
59.01385	10.1
61.98829	7.7
69.03457	4.3
69.25398	11.2
71.01389	7.0
76.65742	2.3
85.02947	2.3
85.64644	2.0
89.02443	3.4
96.96037	3.0
97.06588	4.0
98.97570	2.1
99.00888	2.7
101.02470	4.0
123.08220	2.7
125.09734	3.1
133.84184	2.1
151.11275	3.4
161.09720	3.8
171.10268	10.1
179.10789	5.7
179.55690	2.5
181.12309	3.9
183.13939	4.3
197.10158	4.2
197.11852	52.0
207.10281	5.5
209.11818	8.9
211.13362	12.6
221.11769	3.5
225.11333	5.0
229.14441	8.4
253.09209	2.7
327.21716	17.1
539.19922	2.4
544.25354	2.2
689.34235	4.3
706.11975	2.4
721.76208	2.6
787.41284	100.0
788.41425	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	788.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.1
60.17983	0.1
61.98834	100.0
66.60912	0.1
69.08369	0.8
69.35318	0.1
71.01402	0.1
76.69577	0.1
88.98807	0.1
96.93266	0.1
103.97867	0.1
113.02520	0.1
119.78871	0.1
123.04561	0.2
125.02460	0.2
133.26373	0.1
269.04797	0.2
285.04150	0.6
329.36136	0.1
337.92560	0.1
447.09744	0.1
457.17264	0.7
627.17548	0.1
788.27087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
58.10067	0.5
59.01388	13.5
61.98837	4.9
69.03454	1.6
69.21364	2.3
69.21768	1.2
71.01386	5.2
72.99349	0.8
73.02954	0.8
83.01424	0.8
85.02970	1.7
85.06599	0.7
87.00884	1.8
89.02458	6.7
93.03460	0.6
96.96022	2.0
101.02444	5.4
109.02950	0.7
113.02454	6.9
115.01920	0.6
115.04005	0.7
119.03526	4.2
131.03510	2.3
132.02182	1.2
133.02975	23.3
133.05063	0.8
134.03642	0.7
135.04543	8.1
136.04843	0.8
137.02449	1.5
149.06064	0.8
150.03326	1.3
155.10742	1.3
161.02460	100.0
162.02768	2.7
165.05562	2.0
177.05603	1.7
178.02769	0.6
179.03514	9.5
185.37332	0.6
191.05667	1.1
199.09816	0.7
209.04671	0.6
221.04591	2.4
239.05621	3.0
251.05632	0.9
275.07846	0.8
281.06708	2.6
293.08823	18.2
294.09039	0.9
312.75650	0.6
323.54053	0.6
341.09039	0.8
455.11981	61.6
456.12280	3.9
469.13483	5.3
536.20245	0.8
584.21954	1.3
617.17743	0.9
631.18854	1.5
659.18390	2.5
789.24298	7.8
790.24994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50964	0.7
59.01381	4.2
61.40317	0.6
61.98826	3.2
69.14931	3.8
71.01374	2.4
85.02973	0.9
88.98796	1.8
89.02434	1.4
89.03966	1.0
93.03462	2.4
95.01392	0.9
95.05053	0.8
99.00911	0.9
101.02449	1.3
105.03438	1.4
108.02166	1.0
113.02454	1.3
117.03487	3.9
119.05031	1.4
121.02144	1.2
121.02976	16.3
122.03780	7.5
123.04514	1.3
125.02438	0.8
130.03667	0.7
132.02174	8.7
133.02991	7.8
134.03754	64.8
135.04590	4.8
136.01637	1.1
136.05243	0.7
137.02452	1.9
147.04529	1.2
148.01637	0.7
148.05319	1.0
149.02441	12.8
149.06113	7.2
149.99716	0.8
150.03239	39.3
151.00372	0.6
151.03952	1.3
160.01674	35.6
161.02504	3.2
161.04559	1.3
163.03978	0.9
164.04782	2.2
165.05576	26.2
166.06367	39.8
167.03545	0.7
168.00749	0.7
168.83307	0.7
175.04021	37.8
176.04399	0.6
177.01895	2.0
177.05583	1.2
178.02673	2.9
179.03514	1.6
179.07300	0.8
180.04263	1.9
181.08720	15.2
182.09061	0.7
185.17957	0.7
191.03455	0.8
193.05070	45.1
194.05350	1.2
195.04996	0.9
195.06642	9.1
221.06140	0.7
239.07184	1.7
250.06323	0.9
267.06631	2.1
269.04654	1.1
277.07184	1.6
282.09064	4.9
313.10733	1.2
341.10327	23.1
342.10751	1.8
346.53067	0.9
359.40500	0.7
361.16718	1.3
371.11484	4.2
383.11102	0.7
389.12497	0.7
396.10440	1.9
411.12961	7.4
509.21829	0.9
593.22437	100.0
594.22797	8.3
687.27374	1.0
717.29779	0.9
741.27515	2.4
789.29639	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	789.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.1
61.74038	1.4
61.98833	4.7
65.36763	1.5
70.04593	2.4
70.04902	2.3
71.01392	5.6
81.26775	1.5
89.02468	3.4
101.02454	4.5
120.08176	2.1
121.05396	3.5
122.06127	23.5
132.04573	6.0
134.06131	13.7
135.04503	1.7
160.06438	10.2
213.10368	46.5
214.10712	2.0
223.08647	1.9
225.10318	1.6
226.11154	5.5
239.11806	10.5
241.13496	26.2
251.11824	3.2
267.14975	11.6
279.11359	12.0
285.12473	75.6
286.12686	5.3
386.19327	1.6
408.58246	1.6
459.17822	4.9
701.31897	4.4
745.30957	100.0
746.30988	8.8
771.28314	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	790.439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.0
61.98834	13.3
71.43243	5.1
76.94583	5.1
95.82912	4.2
96.96028	4.9
184.32803	4.5
214.50452	4.8
328.26974	4.9
354.72299	5.0
469.33203	9.0
499.41699	5.2
516.56879	5.0
536.07819	4.5
747.43427	100.0
748.43579	9.2
769.22382	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	791.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05960	1.0
65.84560	0.9
71.43462	1.0
84.05499	1.0
84.55821	0.9
93.03516	1.2
94.05518	1.1
96.10610	1.1
118.77670	1.0
118.81396	1.1
125.02425	1.0
151.00394	2.5
163.00423	1.3
191.05553	1.5
207.35881	1.0
211.03963	1.4
227.03508	12.7
229.05101	3.3
255.00432	1.9
255.03024	34.1
256.03635	1.5
257.04596	1.6
283.02515	47.3
284.03299	34.5
285.04074	98.8
286.04462	2.8
327.05090	2.7
445.39975	1.3
446.08713	5.5
447.09265	4.4
502.61774	1.1
593.15192	100.0
594.15723	5.7
645.11951	1.2
755.20380	26.3
756.20117	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	791.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20720	0.3
58.29478	0.3
71.41739	0.4
80.31400	0.3
81.03458	0.5
83.01381	0.4
89.03980	1.7
93.03426	0.3
101.98550	0.3
105.03477	2.6
109.02959	0.7
112.46294	0.3
116.16761	0.3
121.02966	0.3
123.04499	0.7
125.02451	0.9
133.02966	7.2
133.38335	0.3
135.04506	0.5
137.02440	0.6
149.02460	1.3
159.04488	0.3
161.02419	0.9
176.01138	0.4
177.01936	100.0
178.02290	2.6
179.03532	0.7
203.07191	0.3
205.04974	0.4
213.81526	0.3
245.08124	1.0
269.75656	0.3
284.88831	0.3
287.05902	0.4
289.07193	7.0
290.07516	0.5
339.07205	16.9
340.07498	0.8
341.08804	0.7
451.12564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
57.29678	1.1
59.01385	29.7
61.98825	4.0
62.35256	1.1
71.01383	14.3
73.02969	2.0
77.66422	1.1
80.05070	1.5
83.01390	1.4
85.02953	3.6
88.98798	1.6
89.02455	10.2
93.03497	2.1
94.06683	2.4
96.95983	1.4
101.02448	7.5
104.62280	1.2
105.05814	1.7
106.06619	2.2
107.03762	2.1
109.02962	1.7
113.02477	5.9
119.03526	5.2
120.07395	2.3
120.08208	32.9
121.02990	7.6
122.03764	4.3
122.06136	20.0
123.04526	2.2
125.02435	1.7
129.49904	1.3
132.04584	8.2
133.02951	2.0
134.06131	20.2
135.04546	3.6
136.05354	7.3
136.07680	1.7
137.02457	1.7
145.02957	1.4
146.06133	3.0
146.09792	1.7
149.02461	7.4
149.06087	1.6
150.03239	26.5
150.04395	2.5
151.03969	3.8
152.07170	3.1
161.02417	2.9
161.08231	1.1
162.03107	1.1
163.04056	1.7
164.04778	2.5
164.07109	1.8
165.01982	1.6
165.05577	15.0
166.06381	9.2
175.03984	1.1
177.01868	1.4
177.05600	1.5
181.05099	2.1
181.08685	3.6
195.06635	17.6
211.12381	1.9
215.11938	2.0
223.08809	2.6
225.10399	4.5
233.08223	1.2
237.10355	4.3
238.11166	6.7
239.11888	5.2
243.15028	3.0
249.07758	1.4
251.08253	1.9
251.11890	4.8
253.13451	21.5
265.09851	3.8
265.13290	2.5
269.04520	2.2
279.11404	14.4
280.12271	2.9
287.13977	3.8
289.07056	1.9
311.09415	4.6
314.12497	1.8
325.10544	1.9
343.11893	33.4
344.12347	1.6
355.11871	2.4
372.16919	2.0
373.11890	1.3
389.16315	2.0
391.13968	3.2
400.20224	3.4
406.58871	1.3
580.26733	3.5
595.23859	2.1
624.25616	14.7
625.26465	4.5
629.24359	1.4
743.29498	6.0
747.32587	100.0
748.32898	7.6
773.29712	1.6
791.25616	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	791.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
58.00574	0.6
59.01384	35.7
61.98823	1.6
69.21507	2.5
71.01389	14.7
72.99319	0.5
73.02937	0.7
80.05068	1.7
83.01389	1.1
84.97269	0.4
85.02952	3.3
87.00880	1.3
89.02450	14.4
94.06634	2.6
95.01376	1.7
97.02889	0.4
98.21870	0.9
99.00882	0.6
101.02454	9.2
104.05063	0.7
105.05853	2.8
105.73035	0.5
106.06631	4.4
107.03773	3.2
108.04581	0.5
113.02454	5.6
118.06660	0.4
119.03510	5.7
120.08202	49.4
122.06133	28.3
122.09744	0.4
123.06506	0.6
132.04573	11.6
133.02971	0.6
134.06131	27.7
136.07674	2.8
137.04807	0.7
146.06107	4.8
146.09775	4.3
148.07672	1.4
150.05597	1.2
152.07181	6.3
160.07620	0.6
161.04475	0.4
161.07207	0.7
162.05609	0.5
164.07150	2.4
170.06146	0.7
172.07707	1.0
179.05659	0.7
211.08853	0.9
211.12433	2.2
213.10284	0.6
215.11899	1.1
223.08755	3.5
223.12424	0.7
224.09570	2.2
225.10345	7.2
226.07545	0.5
226.11076	0.6
227.11794	1.0
235.08717	0.7
236.09569	1.7
237.10341	3.3
238.11122	12.5
239.09558	0.7
239.11893	8.6
241.13432	1.6
243.15019	3.7
249.10254	0.9
250.11133	0.9
251.08244	2.6
251.11948	5.0
252.08994	0.4
252.12686	1.4
253.13484	37.2
254.13918	1.9
263.08218	0.5
264.08911	1.1
265.09973	3.7
265.13467	5.0
266.14133	1.7
267.11545	0.4
267.14908	1.3
269.04410	0.6
269.12943	1.0
269.16284	0.6
277.09781	0.9
279.11404	18.1
279.14563	0.6
280.12027	3.6
281.12936	1.4
284.03293	0.9
285.04068	7.5
287.14133	4.5
293.12900	1.5
294.13770	0.6
297.12537	2.2
298.13373	0.8
299.13925	1.4
314.12460	2.2
333.98831	0.5
341.11215	0.4
344.17789	0.7
358.19400	0.8
360.17233	0.9
372.17017	1.2
372.21103	0.9
386.18457	1.0
400.20352	6.1
401.20776	0.9
445.19830	0.7
446.20926	0.5
459.17786	1.1
460.18423	0.9
462.20139	0.7
464.21814	1.2
473.19049	0.6
552.23071	0.9
569.17371	0.4
580.26465	3.8
581.27356	0.5
612.26086	0.7
624.25616	20.6
625.26178	4.6
629.18713	2.9
657.25232	0.5
719.33301	0.6
747.32507	100.0
748.32776	8.8
773.30737	2.8
818.03479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24434	25.4
69.52974	100.0
96.95995	23.9
107.60682	24.7
129.32272	27.2
258.70755	26.1
277.21732	27.3
282.96317	24.9
364.33154	26.3
397.12259	23.7
412.93277	30.1
433.04263	28.4
478.53040	30.5
512.14575	29.6
776.85620	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
57.01567	0.7
59.01385	19.2
61.98823	1.6
69.03455	2.7
70.48521	1.4
71.01389	12.6
72.99304	5.0
73.02956	5.1
81.03451	1.1
83.01389	1.2
85.02946	3.3
87.00887	0.8
89.02451	18.1
89.03979	3.2
95.64461	0.8
96.96025	0.9
97.02973	3.7
99.00895	11.0
99.92635	0.8
101.02448	4.1
106.04297	0.9
109.02895	0.9
113.02451	4.3
116.05099	1.2
117.03474	6.8
121.02967	1.0
123.00890	1.2
125.02483	4.7
128.05066	1.1
130.06694	5.4
130.07515	1.2
131.03647	3.3
132.02180	2.8
133.02901	1.1
134.03758	100.0
135.04527	2.6
137.02444	0.9
142.06688	1.9
144.04573	9.2
144.08182	1.7
145.05334	1.3
146.06131	34.4
149.04582	1.6
149.06081	7.2
156.08194	2.9
157.05353	0.9
158.06117	3.9
160.01689	14.9
160.07677	4.4
161.02458	2.8
168.08203	1.1
170.06067	2.0
172.04025	1.5
174.05495	1.3
174.09241	2.8
175.04007	16.9
178.02725	5.5
179.03484	3.2
182.06100	1.6
186.05588	1.4
188.07211	7.1
190.05148	3.4
191.05667	4.8
193.05072	75.6
194.05321	1.1
200.07144	5.3
203.06035	0.9
210.09262	1.4
212.07140	1.0
218.08179	2.2
221.25748	0.9
228.10262	0.9
230.08214	2.3
232.44289	0.8
236.07144	0.9
254.08157	3.8
272.09290	2.8
311.15225	0.9
313.18362	0.8
407.11786	0.9
416.94470	0.8
422.14600	1.1
440.15527	2.4
522.86230	0.9
554.18915	7.1
572.19763	2.7
598.17786	22.6
599.18250	1.3
616.18958	4.8
630.21088	0.9
748.24176	5.7
751.55872	0.9
792.23633	36.5
793.23688	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	792.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01573	5.5
59.01387	18.2
61.98837	78.9
62.00236	6.1
63.67415	5.7
71.41724	8.0
71.42118	5.9
79.43693	5.7
132.40807	6.4
135.50174	6.3
158.97641	5.1
749.44995	100.0
750.46161	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	792.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	24.8
59.07922	0.5
61.98838	13.2
67.61070	0.5
71.01389	9.2
73.02928	2.4
75.18443	0.6
75.82445	0.6
81.37894	0.6
83.01383	0.8
85.02980	2.9
87.00862	1.0
89.02454	7.7
89.32027	0.6
96.60539	0.6
99.81430	0.6
101.02448	3.0
103.04002	1.6
113.02473	1.5
119.03516	0.7
129.55882	0.6
131.03500	3.6
143.44258	0.7
163.06030	0.6
174.75253	0.6
228.95976	0.7
317.73172	0.7
392.87775	0.7
409.38406	0.6
423.32538	3.8
442.32837	0.7
471.34833	16.4
472.34937	1.2
525.36267	0.9
563.45941	0.6
585.38147	4.9
603.39093	5.2
749.44855	100.0
750.45264	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	792.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89238	0.2
64.77296	0.2
70.87151	0.2
70.87490	0.2
71.14714	0.2
78.95912	5.2
96.85767	0.2
118.91375	0.2
152.99614	0.7
153.35320	0.2
165.12921	0.2
168.04323	0.9
183.13914	36.3
184.14194	0.9
189.50545	0.2
215.12599	0.2
224.06932	2.0
242.07916	0.4
255.23325	27.1
256.23627	1.0
279.23318	5.1
280.23648	0.3
295.22577	0.3
297.24368	100.0
298.24738	3.7
370.25375	0.2
423.11896	0.2
480.31009	22.9
481.31293	1.4
549.98138	0.2
691.63977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
61.98843	0.5
66.82102	0.2
69.09880	1.5
71.01402	0.8
73.02943	0.3
77.03973	0.3
81.03468	0.8
82.95427	0.6
85.02943	0.3
85.06599	0.3
87.00905	0.4
89.02465	0.6
89.03983	3.1
93.03469	6.1
95.05019	0.5
96.96022	0.6
98.21796	0.4
101.02446	0.6
104.02697	0.9
105.03471	4.9
109.02953	0.3
113.02423	0.3
113.06057	0.5
114.90547	0.2
115.04019	0.7
115.31307	0.2
121.02950	0.4
133.02972	10.7
134.03333	0.3
134.31580	0.2
135.04550	0.6
137.02457	5.0
139.03986	0.2
148.01697	0.8
149.02454	1.2
151.04018	0.4
157.05083	0.3
161.02470	0.3
176.01181	1.7
177.01942	100.0
178.02261	3.2
179.03531	0.6
191.03497	1.3
191.05438	0.5
192.03719	0.2
206.87355	0.2
281.06705	0.4
284.03442	0.3
339.07550	0.4
421.70804	0.2
459.09341	3.7
473.11020	1.2
621.14532	0.6
663.15778	4.0
664.15961	0.6
793.21893	7.7
794.22192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10203	5.6
61.98833	45.9
71.30247	8.0
83.46866	5.3
93.84450	6.1
101.28839	6.6
108.02189	5.3
109.02979	14.3
121.03011	6.5
122.03743	6.7
137.02449	43.0
149.02405	8.1
150.03166	6.9
161.02469	8.0
164.01190	8.2
165.01917	27.5
176.01166	16.8
205.01308	8.4
206.12767	6.0
229.05066	7.7
231.06639	14.7
247.06094	8.2
259.06375	7.4
536.47382	6.5
613.64655	7.2
631.21606	100.0
632.22235	12.8
641.22363	11.2
677.43304	6.6
780.60828	6.9
793.27301	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	793.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.98835	0.4
70.25584	0.1
73.02955	0.9
74.75760	0.1
75.00878	1.4
75.44913	0.1
90.26960	0.2
99.00882	1.1
99.92597	11.7
100.92590	0.2
114.93430	0.4
116.03619	0.3
116.92874	100.0
116.97257	9.4
117.01949	2.8
117.92890	2.8
137.06281	0.1
277.21735	0.2
301.81726	0.2
335.17661	0.9
371.18024	0.2
407.13248	0.2
455.04788	0.2
473.10251	0.2
695.80518	0.2
780.17554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
60.00616	0.1
71.01354	0.2
73.02954	3.4
74.10244	0.1
75.00877	4.0
87.00877	0.2
89.02468	0.2
98.22724	0.4
99.00883	2.6
99.92593	12.0
100.92606	0.3
103.92237	0.2
114.93429	0.5
116.03556	0.5
116.92871	100.0
116.97258	4.8
117.01950	8.0
117.05636	0.4
117.92870	2.6
162.05446	0.2
167.53793	0.2
195.97278	0.1
228.96794	0.2
241.56097	0.2
277.10583	0.2
277.21744	0.5
335.17691	0.3
397.13617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
61.69540	0.2
71.01399	1.9
71.05024	4.1
71.68090	0.3
89.02445	2.7
101.02462	1.7
113.02448	0.8
119.03510	1.5
125.02453	1.0
125.77207	0.3
136.17220	0.3
143.03535	0.5
161.04601	0.6
179.05626	1.8
194.41086	0.3
220.79840	0.3
221.06804	0.5
224.82892	0.3
284.15894	0.3
314.19742	0.3
323.09967	2.2
351.26926	1.0
405.31607	0.8
407.29227	0.4
423.32758	2.3
445.36981	0.4
467.31750	0.7
469.33264	100.0
470.33624	7.7
505.37640	0.4
557.67084	0.4
587.14117	0.3
793.44147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.7
71.01384	5.7
71.41583	0.7
72.99332	1.1
73.02972	1.0
85.02961	2.5
89.02451	6.0
99.00903	2.7
101.02460	1.5
107.05061	2.3
113.02435	1.1
114.49696	0.9
116.05114	1.0
117.03443	1.0
118.03000	4.1
123.04590	0.9
125.02447	2.6
132.02170	1.0
133.02953	18.4
134.03796	6.9
135.04535	100.0
136.04865	2.8
137.02509	1.0
144.04543	9.8
146.02478	11.9
158.06152	6.1
160.04099	2.6
161.02452	44.0
162.02744	2.1
168.30397	1.1
170.06117	1.8
172.04027	1.9
172.07643	1.1
174.05594	1.5
177.01875	1.1
179.03508	64.0
180.03831	2.3
186.05630	1.5
198.05576	1.4
200.07227	1.7
207.06508	1.6
216.06638	6.2
217.51266	0.9
228.06580	2.3
251.05617	3.1
311.07816	2.6
330.09625	1.1
347.30740	0.9
348.10919	2.4
384.30112	0.9
510.14063	12.6
511.14789	1.8
527.03577	1.1
572.16077	1.4
609.66418	1.0
732.21167	3.0
734.19397	24.8
735.19623	3.3
750.22327	10.3
751.22577	1.2
776.20117	3.1
794.21515	17.4
795.21851	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	794.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.98836	100.0
71.01407	1.3
71.42457	0.6
89.02499	0.5
93.58963	0.6
101.02480	0.9
179.05704	1.4
239.07452	0.5
275.07846	2.4
293.05899	0.5
293.08966	1.9
317.08786	1.0
436.11908	0.6
515.53241	0.5
551.16144	2.5
569.17291	5.5
593.17670	1.0
625.03461	0.5
693.06323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.0
61.98831	10.7
70.05515	3.3
71.01382	12.5
73.02936	4.7
74.02467	1.4
77.59361	1.2
78.50755	1.4
83.01385	2.6
84.04523	1.7
85.02937	5.6
89.02433	3.5
95.01414	1.4
98.22630	1.3
101.02444	8.3
102.05614	57.3
113.02444	5.5
116.29612	1.2
128.03554	54.4
146.04602	30.8
158.33418	1.4
179.37495	1.7
205.39201	1.4
238.70306	1.2
411.48157	1.5
665.37518	4.0
720.05420	1.7
750.72467	1.8
794.41846	100.0
795.42102	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	795.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
60.81388	0.2
61.98824	1.1
65.31431	0.3
71.42269	0.3
73.02947	1.0
75.00877	1.2
99.00876	0.5
99.92591	11.4
100.92648	0.4
114.93443	0.5
116.92870	100.0
116.97261	9.3
117.01960	1.4
117.92888	3.5
130.09100	0.3
139.84183	0.3
228.03947	0.3
337.19128	0.9
366.30402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	0.7
61.98855	1.0
63.67496	0.4
71.01400	2.2
73.02973	0.5
75.44760	0.6
79.38755	0.6
80.55881	0.5
80.75045	0.5
87.00870	1.0
89.02468	2.1
96.99326	2.9
97.02982	0.7
98.22651	1.7
101.02486	2.3
112.40965	0.5
113.02476	1.0
125.02510	0.8
129.14415	0.5
133.88242	0.5
141.01714	56.4
142.02036	0.8
171.10338	1.9
225.11449	1.5
235.08368	0.7
255.23322	4.8
277.21719	3.7
307.36703	0.5
337.23645	5.2
397.13580	10.6
415.14798	1.8
419.11728	2.6
437.12741	4.0
627.67163	0.6
653.37775	1.5
675.36481	2.8
804.17822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
59.11061	0.1
68.51946	0.1
71.01385	0.1
71.05010	0.2
73.02957	1.9
75.00879	1.5
83.73186	0.1
95.93240	0.1
99.00897	0.5
99.92596	8.8
108.02202	0.2
114.93383	0.6
115.04011	0.2
116.03599	0.2
116.92873	100.0
117.01949	4.1
117.05595	0.6
117.92882	2.4
135.04559	0.3
150.03290	0.1
179.03555	0.2
255.06686	0.3
268.11505	0.1
271.09644	0.1
285.04074	0.2
285.40024	0.1
301.10861	0.2
334.56479	0.1
359.20975	0.1
404.77731	0.2
642.45282	0.2
677.50134	0.2
713.47919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
61.98835	1.8
63.02404	3.0
64.21884	1.8
69.16836	9.6
71.01379	2.2
83.01358	1.5
96.96024	3.6
100.81780	1.3
107.01415	3.4
108.02185	2.2
109.02965	1.8
121.02965	4.1
125.02463	3.1
135.04564	1.8
140.06671	1.5
149.02490	2.2
151.00374	12.1
161.02484	2.3
163.00464	2.4
177.01991	1.8
178.99911	4.1
183.04492	1.7
188.33807	1.4
197.04636	2.6
199.04007	3.9
209.37331	1.5
215.03667	2.1
226.02769	5.1
227.03546	3.8
243.03030	13.8
254.02223	6.5
255.03020	4.2
271.02509	100.0
272.03073	6.3
299.02008	59.1
300.02774	75.2
301.03555	61.6
301.07108	1.7
315.05011	1.7
384.09543	1.6
463.08795	6.2
477.10532	2.2
489.10397	84.1
490.10773	6.2
505.09949	2.1
591.24640	1.4
609.14099	3.0
634.15436	2.1
639.16138	1.9
667.15546	7.1
797.21509	46.9
798.21973	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	797.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	34.5
66.30594	1.5
69.03455	8.1
69.78342	2.8
69.78669	2.0
71.01395	16.8
73.02952	2.2
85.02958	5.2
87.00886	4.2
87.04528	1.6
89.02448	14.7
95.01384	1.8
98.22025	2.7
99.69569	1.4
101.02444	10.0
106.51308	1.5
113.02455	20.1
119.03522	5.8
131.03487	7.8
183.57060	1.4
188.32947	1.5
293.08807	100.0
294.09158	4.9
377.41330	1.8
407.11981	51.6
408.12192	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	797.259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32885	14.5
59.32673	12.3
61.98830	76.5
62.79391	11.8
69.83430	12.1
69.83768	38.3
75.00887	15.7
76.64761	11.5
98.21821	14.1
119.75328	14.3
227.07889	14.3
240.04382	22.3
270.09235	15.5
295.06189	40.9
298.08508	52.0
301.10834	21.3
310.08438	14.1
313.10767	55.6
339.08682	16.0
343.11935	100.0
357.13483	26.9
369.13599	27.2
373.12927	29.2
552.12653	14.0
731.27197	72.0
743.27240	41.9
817.85834	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	797.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24882	0.8
57.85336	0.9
59.01366	3.0
61.98835	18.1
71.01404	2.2
72.04536	1.9
82.02959	1.1
84.04547	1.9
96.95994	1.4
109.04087	3.9
110.46087	0.8
116.92841	2.1
119.03458	1.0
125.02489	1.0
125.09771	1.5
127.05155	13.2
128.03540	7.5
130.67166	0.8
135.04482	1.4
135.08182	2.0
136.05313	0.9
141.29128	1.2
142.12347	1.1
145.06218	7.6
149.06082	1.5
150.03221	1.2
150.06876	24.7
151.04059	1.4
151.07573	0.8
161.02383	0.9
162.06837	1.4
163.07668	17.8
164.08421	3.4
165.02094	0.9
165.05518	1.2
177.01929	2.5
177.09204	2.0
179.10782	10.4
207.15013	1.2
237.16092	3.2
269.04617	1.6
269.14975	2.4
298.02536	0.9
309.20682	1.3
320.19913	1.6
341.16968	2.3
345.09500	1.5
357.09708	1.7
363.21643	1.3
411.24933	1.3
453.30222	1.1
489.32123	2.5
493.61499	0.9
590.39917	1.8
616.37061	2.6
617.37823	2.4
634.38214	1.3
635.39081	1.7
779.42926	1.6
797.44440	100.0
798.44818	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	797.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.8
61.98839	17.6
71.01376	3.9
71.41641	1.7
82.02982	2.3
83.01365	2.3
84.04544	1.9
88.98804	1.8
89.02454	2.4
101.02432	2.4
108.59726	1.4
109.04082	4.0
113.18941	1.4
116.92883	3.5
125.02428	3.4
125.09725	2.1
127.05163	17.2
128.03574	9.9
135.08159	1.9
137.02359	1.7
145.06210	8.0
149.06055	3.0
150.06876	46.5
151.04025	1.4
161.02431	1.7
162.06908	3.2
163.07680	14.0
164.08423	6.3
168.00531	1.4
177.01862	1.8
177.09200	1.5
179.03447	1.8
179.10776	16.1
221.58414	1.3
237.16116	3.1
245.35759	1.6
269.04626	2.6
329.13882	2.1
333.20706	1.7
357.13293	2.1
453.29626	2.0
489.32227	4.4
491.19110	1.9
491.83890	1.5
617.38477	3.4
635.38745	4.7
797.44458	100.0
798.44336	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	798.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01372	8.2
61.98843	7.7
67.65482	1.2
69.54099	4.5
71.01371	2.8
73.02953	1.5
84.04549	1.8
85.02964	1.5
87.00893	1.5
93.03474	1.9
96.95982	1.1
98.21805	1.0
101.02438	1.6
102.05614	8.1
103.01469	1.7
105.01933	2.4
113.02453	1.2
116.92883	2.1
124.96337	1.1
128.03557	36.9
133.02971	1.8
135.04549	3.7
146.04594	2.9
149.06084	1.5
150.06883	25.8
151.04037	0.9
155.10709	1.1
161.02443	2.7
163.07663	12.6
164.08424	5.8
170.08244	2.0
171.10278	1.8
173.04515	1.4
178.09959	1.0
179.10808	12.8
191.05627	3.6
212.01019	1.2
225.62405	1.2
270.13351	1.9
286.93698	1.2
300.14304	1.1
325.23856	1.1
327.21716	6.8
364.06149	1.2
364.22592	2.1
405.16245	1.1
412.27011	3.2
434.89951	1.2
489.32227	1.5
506.32623	10.0
507.33203	15.3
591.37640	2.1
592.38440	3.1
607.23529	1.4
636.37793	1.1
669.38159	7.8
768.22394	1.2
780.41730	1.5
798.42902	100.0
799.30151	1.3
799.43463	15.3
801.71057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.8
61.98823	2.5
69.19907	4.0
71.01376	1.9
71.41679	0.6
81.61353	0.6
84.04543	2.2
85.02947	1.4
89.02464	1.1
93.03464	0.8
101.02426	0.9
102.05619	9.7
103.01469	0.8
114.09231	0.7
125.09691	1.2
128.03554	37.8
129.03876	0.7
135.04514	0.9
135.08171	1.5
136.05254	0.7
141.09213	0.8
146.04619	3.3
149.06113	1.7
150.06882	36.1
151.07333	1.2
154.56018	0.6
162.06889	1.3
163.07675	9.0
164.08437	6.9
169.93588	0.7
170.08241	1.6
171.10370	0.7
177.09198	0.8
178.10007	1.4
179.03693	0.7
179.10805	16.9
179.12369	1.0
185.11946	0.8
191.05630	1.3
262.51318	0.6
320.20056	1.0
327.21844	8.7
364.22562	1.0
412.27002	2.0
489.32272	3.2
506.32520	2.3
507.33398	17.2
508.33881	1.5
592.38562	1.9
618.36395	0.8
636.37482	2.2
669.38739	5.4
780.41980	2.3
798.42865	100.0
799.29095	1.2
799.43311	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	799.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
71.01383	2.4
81.03459	0.5
83.26282	0.4
84.04176	0.4
85.02965	7.6
87.00885	2.1
89.02457	1.6
90.03289	0.4
93.03467	2.8
94.55771	0.4
96.40788	0.4
96.96023	0.8
101.02479	1.0
107.05040	0.6
109.02973	0.8
111.04547	0.9
113.02475	0.9
121.02971	0.7
121.05103	0.7
123.04529	0.5
127.04015	2.3
133.02980	9.2
134.03728	1.7
135.04543	29.8
136.04895	0.9
137.02467	0.4
161.02470	25.8
162.02792	0.6
165.04044	1.0
171.03065	0.5
173.04584	1.8
177.01981	0.7
179.03528	19.4
180.03856	0.6
191.05647	100.0
192.06038	2.9
193.06190	0.5
215.05602	0.7
351.07233	1.4
352.07538	0.6
353.08792	13.9
354.09076	0.7
445.13547	47.0
446.13992	2.7
558.51520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.4
61.98829	2.8
66.00145	1.3
69.03430	2.2
69.68973	3.3
69.69360	2.6
71.01373	6.0
75.46455	1.5
76.56414	1.4
79.54838	1.5
81.03472	3.6
85.02940	3.2
85.06120	1.6
85.06590	8.2
91.01882	1.8
91.20412	1.6
93.03446	2.1
96.96007	2.6
99.00859	1.9
101.02425	4.8
107.01394	3.5
108.02181	99.5
109.02966	49.0
111.00889	2.6
113.02420	4.2
113.06063	4.5
115.04038	9.0
118.04259	1.4
121.02956	7.2
122.03732	6.2
123.00883	1.5
123.04536	13.7
125.02411	4.3
125.98711	1.5
133.02957	4.4
134.03740	2.4
134.13412	1.4
135.00885	5.4
135.04521	4.8
136.01636	1.5
145.02957	2.5
146.03616	1.6
147.04494	1.4
149.02460	16.7
150.03236	26.8
151.00371	4.4
151.03912	3.2
152.01160	100.0
153.01955	49.7
161.02390	5.4
163.03976	3.5
164.04793	5.0
165.01950	11.1
165.05577	28.4
166.02643	6.4
166.06380	7.8
167.03499	37.2
168.03772	1.8
177.02005	3.9
179.03546	7.2
180.04276	11.6
181.05052	3.3
181.08661	3.8
190.02698	5.8
195.02957	2.2
195.04980	2.8
195.06619	30.6
196.07056	1.6
199.07639	3.3
209.04550	2.0
225.07576	7.3
227.07076	2.2
229.04854	2.6
234.76523	1.5
243.06505	4.4
273.13391	1.6
296.05173	2.2
297.06158	11.9
299.12854	6.5
311.07706	18.5
314.11539	3.9
315.07190	3.7
325.10742	1.8
329.13968	9.4
343.11874	26.8
344.12335	2.4
359.14890	2.7
373.12775	7.7
377.16110	2.9
421.10629	2.4
421.15518	2.7
433.07584	5.2
465.10419	77.9
466.10870	4.1
473.02380	1.5
479.11929	24.4
480.11966	2.1
505.17102	2.8
507.11066	1.9
555.22589	2.1
569.20386	2.5
627.14825	1.6
637.21747	13.4
799.23090	54.7
800.23541	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	801.3
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	44.3
61.98827	11.8
67.96461	2.5
68.57563	2.6
71.01390	21.1
73.02948	13.6
85.02955	8.3
87.00883	6.2
88.98755	3.1
89.02457	13.3
101.02441	13.2
106.06629	4.1
113.02463	8.6
116.05077	5.3
116.92889	3.9
117.44256	2.8
119.03519	5.3
120.04583	3.7
122.06133	7.7
128.03557	7.3
130.02980	8.1
132.01639	2.7
132.04536	5.5
134.06128	46.3
135.04428	3.5
136.07692	4.8
137.02502	4.0
146.06117	3.8
146.11395	2.9
148.04057	5.0
150.06865	10.5
151.07246	3.2
152.07193	6.5
158.02448	19.4
160.04068	31.1
161.02440	3.0
176.03549	5.1
179.10713	3.8
185.54283	3.6
186.05634	3.3
190.05115	44.8
191.05612	4.4
192.06691	29.1
226.07353	4.2
229.09795	17.1
239.08276	4.5
240.10399	5.7
241.09729	22.9
242.10498	5.2
255.11339	5.2
257.13022	18.7
267.07843	3.5
267.28552	3.0
277.06131	7.2
277.09760	9.8
281.09491	17.0
283.10864	32.1
301.12112	6.6
305.09283	20.4
307.10724	7.6
309.08786	5.1
309.12225	3.8
323.10440	3.2
337.11880	27.9
339.13391	7.9
343.13077	12.7
346.39148	3.7
373.13959	6.2
403.15149	14.0
485.15683	9.3
487.16898	6.8
517.18311	17.8
519.20038	17.1
568.23053	9.8
571.19263	4.5
669.38513	10.1
725.28583	9.5
726.27527	3.3
769.27277	100.0
770.27423	10.6
800.43823	15.5
801.29828	55.2
801.43463	15.0
802.30292	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	801.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42036	7.4
59.01384	53.7
61.98837	11.1
66.66473	7.0
69.49741	22.6
69.99190	6.9
71.01380	33.7
73.02944	11.1
78.76955	7.0
85.02946	17.2
89.02444	10.9
96.96000	7.0
101.02444	25.4
113.02460	11.6
116.05016	9.2
123.11375	6.6
125.02540	6.9
134.06131	33.8
155.11124	9.0
158.02441	17.7
160.04050	30.4
161.04538	9.8
169.97699	7.1
181.37538	8.6
190.05124	45.1
192.06665	21.4
229.09872	26.1
241.09886	21.7
255.11481	10.6
257.12921	20.9
269.04538	42.8
277.09763	10.8
281.09238	20.5
283.10840	37.9
305.09244	23.4
337.11908	25.3
378.36969	7.9
403.15179	9.5
471.48633	7.0
487.17120	10.5
517.18304	21.1
519.19519	24.3
725.28625	14.1
769.27472	100.0
770.27594	16.2
800.49384	10.9
801.29834	73.7
801.44281	12.7
801.49121	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	801.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.5
69.12131	10.0
69.12546	12.9
71.01379	24.1
73.02941	12.3
83.01369	6.4
83.24562	3.1
85.02940	10.3
86.73258	3.5
87.00859	3.1
89.02420	11.6
95.31722	3.0
95.65948	3.4
101.02438	14.1
101.08105	3.4
111.69344	3.4
113.02442	11.2
116.05055	8.2
122.06134	10.0
126.39165	3.2
130.02979	7.8
131.03760	3.8
132.04559	6.7
134.06110	31.1
143.03471	3.4
148.04059	7.7
152.07166	5.4
158.02480	23.0
160.04048	20.5
161.04636	4.0
174.05580	5.4
179.03560	3.6
190.05086	45.3
192.06705	21.3
227.08214	4.4
229.09796	27.2
239.08374	4.6
241.09778	18.1
242.10524	5.5
255.11365	5.8
257.12967	20.4
269.04507	12.3
277.06241	4.2
277.09747	9.6
281.09439	20.9
283.10886	44.6
301.11896	6.5
305.09305	17.5
307.10889	7.4
309.08881	7.9
337.11996	27.1
339.13467	6.0
343.13037	9.5
359.28775	3.7
403.15024	12.3
485.15604	8.3
487.17154	8.6
517.18372	17.4
519.19812	18.1
568.22980	8.2
571.19342	6.4
725.28235	11.0
769.27271	100.0
770.27460	9.2
800.49048	7.5
801.29913	44.0
801.46777	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	801.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07720	2.3
59.01386	28.2
61.09104	2.0
61.98841	13.3
69.26521	4.6
69.26933	11.6
71.01395	17.0
73.02973	5.9
83.01374	3.0
85.02954	8.3
87.00881	8.6
89.02459	8.3
96.96003	3.2
101.02453	8.8
106.30118	2.5
113.02459	5.7
116.05079	3.6
122.06078	3.3
130.03004	2.9
132.04565	4.1
134.06163	17.4
135.04588	2.9
135.83102	2.7
148.04050	2.7
150.06886	28.6
158.02490	10.1
160.04047	10.3
161.02428	3.7
163.07674	7.2
164.08438	7.6
179.10768	15.0
190.05113	22.2
191.05605	4.1
192.06700	8.5
226.07426	2.8
229.09810	7.2
239.08211	4.1
241.09900	11.6
257.12964	11.6
261.10349	3.2
262.07294	3.2
277.06293	3.3
277.09833	5.1
281.09265	8.6
283.10876	15.9
301.11890	3.8
305.09402	12.6
307.10944	3.2
309.08783	4.1
327.21948	16.1
337.12042	15.7
343.12991	5.5
391.96371	2.7
403.15137	7.8
404.96655	2.7
485.15799	4.7
487.17899	3.3
506.32620	13.9
507.33463	18.6
517.18219	10.0
519.19751	10.7
568.23169	4.4
669.38611	100.0
725.27881	4.2
726.27954	3.7
769.27368	47.2
770.27972	7.1
800.43121	6.4
801.28625	30.8
801.41553	6.5
802.30707	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	801.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	58.2
60.61110	2.9
61.98827	6.2
62.74440	3.3
70.64249	4.2
71.01394	28.5
85.02959	7.0
89.02466	12.8
98.22575	3.7
101.02468	12.1
106.06647	6.0
108.77117	3.0
116.54020	3.3
119.03528	4.1
134.06131	41.9
141.44908	3.6
152.07220	9.5
154.57668	3.0
178.55719	3.5
208.02573	3.4
293.17950	4.0
354.12527	5.0
367.09708	6.0
368.14297	5.5
370.15619	10.5
382.11890	13.2
383.12457	4.0
398.15057	38.7
410.15280	16.8
506.44373	3.3
575.78644	3.6
684.28253	4.3
725.28265	100.0
726.28760	13.1
757.31140	29.3
769.27185	20.3
801.29626	51.5
802.30231	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	801.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.3
61.98839	5.7
69.17127	2.7
69.17533	3.8
71.01387	3.5
71.75296	0.9
78.28510	0.8
85.03003	2.2
87.00890	12.1
89.02462	2.0
96.96045	1.6
101.02475	2.4
101.98264	0.9
107.37943	1.2
112.98819	1.0
113.02522	1.0
116.92909	2.3
125.09782	1.4
130.99908	1.9
133.02914	1.1
134.06128	1.3
135.04526	1.1
137.02383	1.2
149.00966	1.2
149.06139	2.1
150.06883	45.1
150.90744	1.1
161.02483	2.3
161.09705	1.2
162.06963	1.1
163.07681	5.9
164.08455	13.7
171.10350	2.4
179.10799	25.6
182.33195	1.1
185.11858	2.1
191.05545	1.2
223.13371	1.0
263.19193	1.1
285.04391	1.2
309.20306	1.1
327.21793	17.2
339.63287	1.1
364.22778	1.2
473.33594	1.2
489.32358	5.6
506.32507	4.6
507.33328	33.1
508.33603	4.7
534.92511	1.1
644.39203	1.2
669.38684	100.0
670.38739	9.6
769.26410	1.8
801.39911	7.6
802.40283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50671	0.7
57.03441	1.2
59.01382	9.1
61.48164	0.7
61.98834	5.3
65.52258	0.6
69.22562	4.1
71.01382	4.3
73.02935	2.5
81.44392	0.6
83.01376	0.8
85.02955	2.3
87.00880	10.8
89.02460	2.2
93.03476	0.9
101.02448	2.9
103.16885	0.6
109.27497	0.6
112.98810	1.6
113.02451	2.0
119.03551	0.7
123.08151	0.9
125.09749	1.2
130.02966	0.8
130.99858	1.8
133.02940	1.1
134.06120	2.4
135.04489	1.9
135.08124	0.9
137.02409	1.1
149.06075	0.7
150.03233	2.3
150.06880	37.8
151.04059	0.9
151.07303	0.7
153.71576	0.6
158.02481	1.8
160.04016	2.3
161.02470	1.2
161.04584	0.8
162.06862	1.5
163.07619	7.4
164.08449	10.2
165.05551	3.6
171.10277	2.0
176.03517	0.8
177.01738	0.7
178.09944	1.0
179.03577	1.5
179.10791	20.4
180.11139	0.9
181.12398	0.6
185.11850	1.6
190.05142	2.6
191.05510	0.8
192.06644	0.9
195.06580	2.5
241.09756	1.6
257.13034	1.0
277.09808	1.0
281.09439	1.2
283.10977	6.7
284.11279	1.0
305.09091	1.2
314.11838	0.9
327.21817	14.9
328.21985	1.1
337.11868	2.0
358.52106	0.8
364.22318	0.8
489.32291	4.7
506.32620	10.0
507.33340	28.8
508.33475	3.1
517.18207	1.6
519.19958	2.9
521.34949	1.1
549.34967	0.8
583.05957	0.7
608.52155	0.7
669.38611	100.0
670.39032	10.5
769.27289	5.6
770.27802	1.4
801.41229	9.2
802.40277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
59.01381	43.3
61.98829	9.1
62.24242	1.1
63.62277	1.1
68.99815	1.1
71.01388	31.0
73.02951	15.4
75.00859	2.1
83.01397	5.7
85.02956	15.8
86.00086	1.0
87.00874	4.1
89.02457	15.7
89.99413	0.9
93.03438	2.8
95.01381	4.6
97.02940	2.8
98.21838	2.8
99.00861	6.7
99.04490	1.2
101.02444	29.0
109.02933	1.2
111.00886	3.1
113.02464	10.2
115.03958	1.4
116.92867	2.0
119.03517	3.3
125.02425	4.2
127.48204	1.1
131.03545	2.0
133.02959	1.9
134.06128	1.8
135.04536	2.4
137.02435	3.3
143.03481	1.9
149.04509	1.3
153.91020	1.1
159.03009	2.3
160.03917	1.0
161.02458	2.5
161.04555	3.3
165.30562	1.2
179.03519	2.1
190.05096	1.7
191.05634	2.6
203.54994	1.1
215.42769	1.0
233.06728	1.1
252.76711	1.1
277.09833	1.2
345.30032	2.7
507.35300	3.8
639.39307	1.3
669.40240	4.5
683.18933	1.1
769.26709	1.6
801.32080	3.4
801.44946	100.0
802.45557	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	802.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
61.98837	100.0
65.62541	0.2
83.07250	0.2
86.63673	0.2
88.10719	0.2
88.77525	0.2
88.98820	0.2
111.09818	0.2
116.92881	0.4
133.03035	0.3
135.04478	0.2
137.02457	0.2
147.04533	0.3
148.95012	0.2
149.58699	0.2
151.00407	0.3
161.02495	0.4
164.21088	0.2
165.05602	0.3
191.05615	0.5
227.03519	3.0
227.05638	0.2
255.03006	5.5
256.03802	0.6
281.06744	0.2
283.02554	1.7
284.03293	6.7
284.06326	0.4
285.04068	14.0
286.04501	0.7
431.09848	17.7
432.10425	1.0
577.19696	0.8
593.15289	1.2
739.21698	0.6
791.92700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.3
61.26711	0.2
61.98838	29.9
63.02407	0.9
65.00322	0.5
69.19976	0.8
69.20383	0.8
71.01374	0.8
87.12567	0.2
98.21918	0.6
107.01392	0.9
117.03486	2.6
135.04572	0.4
137.02492	0.5
137.44925	0.3
145.09097	0.3
149.02458	0.5
151.00394	0.5
159.04485	1.0
161.02400	0.8
181.06593	0.3
183.04588	0.6
191.05823	0.4
197.06111	0.6
224.04892	0.4
225.05548	0.9
227.03479	0.5
268.03781	1.0
269.04568	100.0
270.04919	5.0
341.00748	0.3
398.82507	0.3
507.22256	0.3
570.84924	0.3
641.21808	0.4
728.42438	0.3
739.20953	16.6
740.20697	2.0
740.47241	0.3
774.25958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.4
61.98830	2.9
71.01393	13.8
85.02984	3.4
86.06419	1.9
89.02457	7.8
93.83617	1.9
101.02448	6.9
106.06649	5.9
112.37022	1.9
113.02463	3.6
113.37331	2.0
119.03527	2.7
122.06154	7.6
128.58707	2.2
132.04581	4.1
134.06134	24.1
152.07176	2.6
160.06311	2.5
213.10361	17.6
225.10333	2.8
235.86758	1.8
239.11925	7.9
241.13455	7.4
251.12000	2.9
277.09918	1.9
285.12463	23.7
305.09097	2.1
328.10834	2.4
337.12079	2.9
340.14398	3.0
356.14078	4.1
358.15515	7.0
384.13470	3.9
397.14297	3.3
398.15219	2.7
400.16718	8.5
412.16843	4.8
727.29865	5.1
771.28986	100.0
772.28967	16.9
803.31238	17.6
804.32031	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	803.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	2.4
59.01384	46.8
61.98830	2.2
69.05295	9.0
71.01385	19.7
72.38081	1.5
73.02945	2.4
80.05070	4.6
83.01403	1.6
85.02954	3.7
89.02438	11.5
94.13856	1.3
94.87247	1.6
96.96062	1.7
98.21797	2.6
101.02458	7.7
104.05082	2.2
106.06608	4.3
113.02450	5.4
119.03533	3.1
120.08180	1.8
121.05386	1.6
122.06128	11.7
124.58199	1.5
132.04541	4.1
134.06129	37.5
137.02411	2.0
148.03969	2.9
152.07162	3.7
160.06474	3.3
161.04880	1.4
165.01964	2.2
174.05563	2.0
190.05125	1.8
192.19870	1.2
213.10364	19.8
223.08705	1.5
225.10291	2.9
226.11058	2.0
227.11920	1.4
231.65273	1.4
239.11928	15.8
241.13557	8.4
251.11897	4.4
265.41022	1.5
266.18231	1.3
267.11267	1.6
269.04550	4.4
277.09720	2.5
278.06891	1.3
278.10382	1.7
285.12506	27.6
293.13040	2.4
305.09326	2.2
314.12363	1.6
327.09970	1.5
328.10919	2.9
330.12442	1.6
340.14465	2.1
342.12271	2.4
343.13281	3.3
354.12399	1.8
356.13831	2.9
356.17700	1.6
357.14633	3.2
358.15643	12.6
359.15784	1.4
368.10422	2.1
369.14777	2.2
370.11774	3.2
370.15720	1.7
384.13171	6.7
384.17697	2.5
385.14243	1.7
397.14139	2.4
398.15091	5.3
399.15637	1.6
400.16669	12.6
412.16602	6.4
444.15964	2.7
475.17130	4.3
491.20688	1.9
505.22699	2.1
517.18353	2.1
537.71606	1.5
539.32886	1.7
659.31390	2.1
685.28296	4.8
727.29718	20.5
728.29700	2.1
730.28534	2.8
771.28845	100.0
772.28943	13.1
803.31592	46.3
804.31531	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	803.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	28.0
60.88509	2.4
61.98831	7.7
63.41242	2.3
69.42516	2.2
71.01402	14.1
72.33941	2.1
73.02978	2.6
83.01395	3.1
87.00880	2.5
89.02457	4.2
95.81445	3.1
101.02465	4.2
103.01520	7.1
105.01914	3.2
106.06628	4.5
107.03806	3.6
113.02454	3.1
115.06209	2.0
116.92899	2.0
122.06135	10.3
134.06142	24.2
135.04512	5.7
136.01683	4.2
137.02403	5.2
150.03229	3.3
151.00352	3.0
151.04083	2.4
160.01747	2.5
161.02440	2.5
162.05592	4.0
167.03473	2.5
177.01901	4.2
190.05005	3.4
193.05136	3.9
193.12932	2.4
195.06573	2.5
197.57436	2.2
225.10324	4.1
235.08882	4.1
237.10263	2.6
249.10255	4.3
251.08183	3.4
253.09665	4.0
263.08209	3.1
265.09961	3.5
267.11148	4.6
268.03867	3.9
269.04593	31.4
277.09677	4.2
279.07800	8.0
279.11115	3.3
291.07932	2.8
293.09308	7.9
305.09430	5.4
307.10864	4.7
321.08679	4.8
333.09000	2.9
340.14651	2.6
400.16638	6.5
426.14426	3.8
468.15460	3.3
486.16986	3.0
601.69226	2.4
607.14874	3.4
639.25720	2.8
648.21924	9.4
649.22137	2.7
680.24585	100.0
681.25140	10.2
753.27795	22.0
754.28491	3.3
771.28888	8.0
785.30194	14.8
786.30688	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	804.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69535	0.1
61.98834	100.0
62.98523	0.2
64.77849	0.1
70.69052	0.1
75.59029	0.1
147.60843	0.1
166.02821	0.3
167.03116	0.2
181.05093	0.5
182.05402	0.2
183.05574	0.2
285.04153	0.3
285.21317	0.1
417.15704	0.2
418.16003	0.6
419.16217	0.8
420.16498	0.4
697.86481	0.1
759.00092	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	804.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13025	0.3
61.98837	100.0
69.90488	0.6
69.90838	0.4
74.62651	0.3
78.85315	0.2
80.96497	0.3
88.07909	0.2
110.86173	0.3
113.81596	0.3
130.12468	0.3
174.25883	0.2
236.11191	0.3
335.29117	0.3
526.89740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.3
60.99298	0.5
61.98812	1.7
71.01399	2.9
77.35345	0.5
82.03798	0.5
84.21190	0.5
85.02951	0.5
88.98819	2.6
89.02442	3.1
91.38385	0.4
97.55029	0.5
101.02443	1.8
104.61263	0.5
113.02443	1.0
119.03487	1.3
120.04594	2.3
121.05321	1.5
122.06140	4.7
123.04550	0.6
132.04572	17.7
134.06152	4.2
135.04520	0.8
135.06937	0.8
136.07693	9.8
137.02475	1.1
144.04585	3.1
150.03209	1.0
151.04005	0.8
152.07162	0.6
161.02512	0.7
161.07237	0.8
162.05615	1.6
165.01913	1.9
165.05583	0.8
166.02678	0.8
171.11801	1.3
176.03568	13.9
177.01968	0.7
179.03531	1.0
180.04292	1.4
181.05086	0.7
186.09229	0.6
188.03519	1.4
193.05103	0.8
195.06651	2.4
198.09283	1.8
199.10005	1.1
214.12392	10.3
225.07600	2.0
226.07515	0.7
227.08289	1.7
229.09779	4.4
230.11896	3.6
230.39236	0.5
241.09854	6.7
242.10628	14.3
255.11420	0.9
257.12982	69.9
258.13309	1.5
279.11475	2.8
283.10907	2.1
301.11966	100.0
302.12268	2.4
314.12512	0.7
323.10376	0.5
348.20313	0.6
380.76892	0.5
459.17715	5.3
503.16797	36.1
504.17630	0.9
513.20947	0.6
583.21924	1.6
595.21973	0.9
663.41260	0.6
717.31293	1.1
723.80756	0.5
761.30396	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	805.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33305	0.5
59.01382	2.6
59.62737	0.6
61.98839	1.8
64.92035	0.6
67.01888	0.6
69.23530	0.6
71.01401	1.1
71.41522	0.5
73.02972	0.8
82.66599	0.6
83.01396	0.7
86.41817	0.6
89.02435	0.8
95.01424	0.6
98.22430	0.6
107.05067	0.8
109.02978	2.1
115.24766	0.7
119.90404	0.6
121.02950	1.1
121.30280	0.7
122.03728	0.9
134.03770	0.8
135.04501	1.7
136.01660	1.6
137.02455	19.8
150.03233	1.6
151.00433	3.1
151.04025	1.8
152.04803	1.2
161.02463	1.4
163.04071	0.7
164.01236	1.3
165.01939	100.0
166.02730	9.4
167.03511	0.7
177.01979	1.4
179.03513	13.5
179.05075	0.8
180.04292	59.7
181.05063	12.3
193.05104	1.0
194.05859	2.2
195.02995	3.3
195.06638	68.6
196.06937	1.4
200.74274	0.8
205.05208	1.1
210.05350	12.8
211.06291	0.7
219.06749	0.7
220.07312	0.8
225.07698	90.5
226.08070	2.1
253.05008	0.7
269.04648	0.9
289.07077	0.8
352.13864	0.6
359.11282	0.8
387.10538	1.5
387.14542	4.1
402.13293	1.1
417.15607	22.3
418.15799	0.8
471.15088	0.8
506.56015	0.7
595.21906	3.6
613.23108	1.0
643.24115	11.9
644.24738	0.9
675.20068	0.7
805.23969	1.0
810.52252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54523	0.5
59.01381	1.6
61.98829	1.8
67.01896	1.4
70.08975	0.6
71.01381	1.6
81.87129	0.6
84.05959	0.5
85.02962	0.9
88.98802	0.7
93.03432	0.7
101.02458	0.9
107.05067	0.8
109.02954	4.4
111.80310	0.5
113.02446	0.6
123.00924	0.8
123.04542	2.4
126.90513	0.6
135.04543	0.8
136.01691	1.5
137.02461	26.8
149.02483	1.7
150.03261	3.1
151.00392	6.5
151.04016	4.7
152.01157	2.2
152.04773	2.6
153.05576	2.5
161.02496	0.9
162.03223	0.9
163.04008	1.1
164.01173	2.0
164.04774	0.8
165.01949	100.0
165.05574	3.7
166.02736	20.7
167.03477	2.6
167.71072	0.6
175.04030	1.7
177.01978	1.9
177.05576	1.2
178.02718	1.3
179.03513	19.7
180.04306	52.1
181.05089	24.1
187.04048	1.6
191.03542	1.1
193.05055	1.7
194.05905	2.9
195.03001	2.7
195.06648	62.2
196.06970	1.7
202.06331	0.6
205.05072	3.9
207.06679	2.4
209.08209	0.9
210.05353	9.2
219.06607	0.8
220.07440	4.2
225.07712	49.7
226.08037	1.3
250.58632	0.6
281.06735	1.4
359.11414	1.7
371.11392	0.8
387.10791	2.6
387.15259	3.4
388.10880	0.6
402.13342	3.3
403.13983	2.2
416.14862	3.2
417.15582	37.6
418.16010	1.4
435.12994	2.4
458.84335	0.7
565.19110	1.7
580.19586	0.9
582.37744	0.6
595.21887	42.9
596.22498	2.8
613.22913	1.4
625.22925	1.2
643.23999	21.9
644.24811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
58.00605	1.3
59.01385	42.4
61.98833	2.0
62.05082	0.7
66.32964	0.6
70.79702	0.8
71.01019	1.4
71.01388	19.7
72.99297	1.4
73.02926	1.1
80.05048	1.1
83.01376	1.6
85.02947	4.7
86.27667	0.7
87.00878	2.7
89.02462	12.4
92.96571	0.7
94.06611	0.9
95.01405	1.8
99.00851	1.2
101.02449	9.8
106.06630	6.1
107.03767	2.3
108.08162	0.7
113.02448	5.4
116.92859	1.2
119.03537	4.0
120.08209	13.8
121.05312	1.0
122.06133	18.6
132.04544	2.4
134.06128	25.1
135.04535	1.3
136.07658	1.5
144.08145	0.9
150.05658	1.7
152.07167	5.7
158.02449	1.9
160.04114	1.8
177.01938	8.6
190.05159	4.1
211.08708	0.8
219.18001	0.7
221.10863	1.9
223.08685	5.4
224.09573	2.2
225.10294	2.0
235.08720	1.3
235.12404	1.0
236.09531	1.7
237.10355	4.7
238.11084	2.2
239.11870	8.3
240.12242	0.8
241.13515	1.0
244.27989	0.7
249.06670	2.6
249.10307	2.6
251.08257	3.3
251.11914	6.4
252.12766	0.9
253.13304	0.9
263.08270	5.2
263.11902	1.6
264.09052	9.6
264.11966	1.1
265.09818	8.8
265.12851	1.3
269.04489	2.5
276.08945	2.0
277.09790	6.0
278.10562	4.4
279.11417	22.7
280.12131	5.3
281.13019	2.6
283.11078	1.0
290.10706	0.7
291.08411	0.9
291.11392	5.1
292.12134	5.1
293.12930	2.8
294.13611	1.8
305.09250	2.2
307.10849	2.4
314.12549	2.7
323.10403	2.7
324.11179	3.4
325.11893	1.5
325.26898	0.8
337.11893	2.1
338.12521	0.8
354.12546	0.7
370.15491	1.9
371.15756	0.9
372.17368	1.5
384.17392	2.1
386.18698	2.1
398.19272	1.0
399.19727	1.4
402.18344	1.4
414.18430	1.7
426.18079	1.7
427.18918	1.3
430.17670	1.4
444.19318	3.1
446.16754	1.0
454.18115	1.0
460.18643	1.2
462.20395	4.0
471.17877	2.0
472.19019	4.1
473.19626	2.4
490.19757	7.5
550.22931	0.9
593.24457	0.9
594.46759	0.8
605.24274	1.0
606.24500	2.1
610.24420	2.0
623.24646	2.0
650.23578	5.5
651.24420	10.2
652.25018	1.3
682.26135	5.0
745.30957	1.4
773.30450	100.0
774.30798	12.2
805.33203	39.5
806.33618	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	805.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	41.7
61.98829	8.0
68.36178	1.9
69.27583	10.3
71.01392	18.7
72.99306	1.7
74.91554	1.6
85.02937	4.0
89.02467	12.5
97.55663	1.7
101.02459	12.4
106.06662	4.5
113.02465	6.1
119.03482	3.9
120.08202	11.1
122.06136	20.6
132.04504	2.3
134.06134	27.4
135.04466	2.6
136.07802	1.9
151.03963	2.4
152.07138	4.4
174.05641	1.9
190.05156	4.8
221.10846	2.4
223.08839	3.9
235.12657	2.4
236.09538	2.0
237.10333	5.4
238.11130	2.3
239.11928	7.1
239.89276	1.7
249.10277	2.5
251.08151	3.8
251.11871	6.1
263.08307	3.9
264.09119	7.2
265.09851	11.3
277.09839	7.0
278.10687	2.3
279.11411	24.2
280.11951	3.3
291.11389	6.9
292.12167	5.2
293.12958	3.0
307.10797	1.9
323.10513	3.6
324.11191	2.9
357.63168	2.0
384.17181	4.0
386.19022	2.5
426.18658	2.9
451.58719	2.1
458.60132	1.9
471.18317	2.6
472.18695	3.9
490.19916	7.5
532.21155	2.9
606.24280	2.7
650.23749	10.5
651.24329	8.8
682.26440	13.1
683.26666	2.4
773.30536	100.0
774.30792	9.4
805.32977	44.7
806.33051	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	805.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	55.9
61.21792	5.1
61.98844	36.0
62.90023	5.6
70.47879	7.1
70.48212	6.1
71.01378	22.4
85.02961	11.7
88.98875	5.8
89.02455	19.3
101.02443	15.9
113.02460	14.7
116.17961	5.8
119.03533	8.2
120.08222	7.5
122.06155	17.5
133.03020	15.2
134.03775	7.8
134.06134	38.8
135.04568	17.3
137.02524	10.5
150.03241	24.3
161.02501	12.9
165.05521	13.8
177.01955	100.0
177.05602	5.4
179.03551	10.8
195.06670	16.4
223.90839	7.2
233.08205	8.9
239.12123	16.3
251.11961	8.5
265.09872	7.3
269.04535	19.7
277.09790	7.4
279.11264	17.8
280.12024	5.8
386.19073	7.9
454.98007	6.7
606.23834	6.8
610.24213	10.4
651.24530	6.5
773.30432	55.0
805.32990	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	11.3
68.99814	24.0
88.18171	2.8
107.01435	2.7
108.02184	38.6
109.02973	8.8
121.03001	3.9
122.03764	15.1
123.00890	13.9
123.04545	35.1
132.02156	6.8
133.02936	6.4
136.01787	2.8
137.02437	3.8
138.03249	13.6
149.02470	9.8
150.03236	58.0
151.03964	3.7
153.05453	3.2
161.02408	15.7
162.03247	54.1
163.04051	19.8
164.04782	4.6
165.05582	34.5
166.02730	4.5
177.05589	59.4
178.02737	41.8
179.03572	7.0
179.07172	28.8
180.04410	5.3
181.05081	9.7
193.05077	100.0
194.05862	13.6
195.06657	10.0
219.06554	4.6
379.65112	3.0
597.41315	3.2
610.20410	22.3
611.20941	17.3
798.26001	3.5
807.28253	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
61.98835	100.0
62.45065	0.3
88.52209	0.3
96.74690	0.2
96.96031	0.6
98.21898	0.8
137.02521	0.4
150.03293	0.4
162.15135	0.3
165.02007	0.8
165.05603	0.5
166.02397	0.4
179.03621	0.4
180.04350	0.3
181.05092	0.4
183.01791	0.2
187.61801	0.3
191.05684	0.5
195.06711	1.0
196.07164	0.5
226.08087	0.4
285.04047	0.4
374.67529	0.3
419.16351	0.3
471.60010	0.3
646.26483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98837	100.0
69.24158	0.9
70.01679	0.2
71.01405	0.4
82.95454	0.2
87.90502	0.1
89.02480	0.5
89.14510	0.1
96.96021	0.2
98.21828	0.2
101.02469	0.4
113.02445	0.3
119.03541	0.2
121.03030	0.2
146.36739	0.2
150.03275	0.2
151.04073	0.3
151.05226	0.2
161.02452	0.2
165.05629	0.3
179.05672	0.2
195.06683	0.3
232.83653	0.2
272.40442	0.2
285.07870	0.2
357.13617	0.2
369.13571	0.3
395.00327	0.2
431.03168	0.2
640.26086	0.2
760.67645	0.2
764.32617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98837	100.0
69.24158	0.9
70.01679	0.2
71.01405	0.4
82.95454	0.2
87.90502	0.1
89.02480	0.5
89.14510	0.1
96.96021	0.2
98.21828	0.2
101.02469	0.4
113.02445	0.3
119.03541	0.2
121.03030	0.2
146.36739	0.2
150.03275	0.2
151.04073	0.3
151.05226	0.2
161.02452	0.2
165.05629	0.3
179.05672	0.2
195.06683	0.3
232.83653	0.2
272.40442	0.2
285.07870	0.2
357.13617	0.2
369.13571	0.3
395.00327	0.2
431.03168	0.2
640.26086	0.2
760.67645	0.2
764.32617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.3
66.18091	1.1
70.63169	1.3
70.63486	1.2
71.01374	1.2
75.87080	1.0
80.38483	1.1
93.03482	3.6
101.02459	1.1
121.02978	5.2
122.03748	17.9
123.04530	1.4
133.02977	2.4
137.02478	1.1
149.02473	17.5
150.03241	96.4
151.00443	1.9
151.03920	5.0
163.04080	1.8
164.04842	3.7
165.05582	100.0
166.02744	3.9
166.05942	3.4
175.14079	1.1
177.05603	2.1
179.07149	3.8
180.04314	7.7
181.05037	5.3
193.05106	2.2
195.06642	76.3
196.06868	1.2
219.06621	1.9
306.31293	1.1
359.91476	1.2
387.14746	2.4
417.15414	8.3
485.32660	13.7
565.20721	3.4
613.22858	4.3
631.94312	1.3
809.29608	2.0
809.43451	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	809.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.7
66.91249	0.4
68.80929	0.4
71.33926	0.4
93.03466	4.6
96.85900	0.5
102.16554	0.4
108.02187	0.4
116.92866	0.5
121.02973	6.1
122.03754	18.8
123.04548	1.2
124.01703	0.8
130.91020	0.4
133.02986	1.6
134.03746	0.8
135.04485	0.8
136.01666	3.9
137.02467	3.0
138.03284	0.5
146.03752	1.0
149.02463	19.1
149.06049	1.1
150.03238	100.0
151.00366	1.3
151.04033	7.2
152.04781	0.6
154.02864	0.5
162.03268	0.4
164.04834	4.3
165.01910	1.6
165.05583	94.3
166.02736	5.2
166.05939	1.9
167.03529	0.5
177.05630	1.0
179.03499	0.6
179.07169	5.1
180.04294	7.5
181.05067	5.7
195.06639	64.7
196.06848	1.1
205.05078	1.4
219.06720	0.7
220.07431	0.5
225.07672	1.1
268.71082	0.4
329.10168	0.5
373.12943	0.8
387.10303	0.7
387.14496	3.2
409.00616	0.5
417.15649	8.1
433.92191	0.5
535.15674	0.5
565.20813	10.4
566.21356	0.6
595.21863	1.3
613.23309	3.0
633.13220	0.4
713.26025	1.6
721.47681	0.5
761.27850	1.0
791.28918	0.7
809.29584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.6
61.98832	1.5
62.07630	0.5
69.21797	3.0
76.40147	0.4
85.03576	0.4
87.64709	0.4
92.53384	0.5
93.03467	5.9
98.22694	0.8
105.03480	0.6
108.02208	1.0
109.02974	1.4
121.02982	7.3
122.03759	17.1
123.04524	1.1
124.01657	0.5
132.02173	1.1
133.02965	2.5
134.03773	3.3
135.04559	1.1
136.01706	7.0
137.02477	4.8
138.03174	0.6
145.02953	0.5
146.03760	1.9
147.04512	0.5
149.02463	23.3
149.06081	3.6
150.03244	100.0
151.00438	1.1
151.04027	15.2
152.01157	0.6
152.04802	1.7
153.05608	0.6
159.04463	0.7
161.02486	0.8
161.06120	1.1
162.03290	1.2
163.03990	0.6
164.04829	6.3
165.05588	87.1
166.02725	5.3
166.05937	1.2
167.03482	0.8
175.04002	0.8
177.01994	0.5
177.05602	2.0
179.03474	1.1
179.07166	7.0
180.04317	6.2
181.05084	7.2
184.03635	0.5
187.04060	0.8
192.04242	0.9
193.05167	0.7
195.06644	44.8
196.07004	0.6
205.05113	2.6
219.06673	0.7
220.07425	1.7
249.35707	0.5
323.41586	0.5
329.10266	0.6
353.27499	0.5
387.10300	1.1
387.14600	2.1
388.11853	0.5
403.13974	0.8
416.14780	1.3
417.15530	9.8
493.31421	0.5
523.81372	0.6
535.16412	1.0
549.17456	0.7
564.20221	1.3
565.20856	18.7
566.21130	0.8
595.21820	2.0
613.22913	3.9
619.21722	1.2
713.26263	8.5
743.27344	3.2
761.28436	1.4
791.29340	0.6
809.29926	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	809.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.5
61.98836	14.3
71.01385	3.8
93.03475	3.0
109.02986	2.4
116.92852	5.8
121.02936	3.5
122.03710	8.3
130.32397	2.2
132.02234	2.7
135.04533	2.5
137.02446	5.0
147.55334	2.2
149.02473	14.4
150.03255	45.5
151.03922	4.8
160.01675	3.1
161.02461	2.7
164.04753	5.4
165.01967	20.7
165.05583	47.7
175.04005	2.3
177.01967	2.9
177.05591	2.7
179.03508	8.2
179.07159	3.2
180.04272	16.2
190.06322	2.9
195.06630	60.8
210.05313	3.1
222.06888	3.2
225.07684	12.7
240.07852	5.8
267.06857	3.3
268.07437	17.0
269.04495	5.9
279.06448	2.3
280.07397	3.9
281.08273	3.4
283.09686	9.2
293.08090	3.4
295.06003	3.6
296.06912	7.1
297.07629	3.1
299.09213	5.3
308.06793	9.9
309.07593	7.7
310.08530	3.2
311.09167	5.2
312.06348	15.6
312.09586	3.2
313.10547	3.0
322.08420	7.7
323.09341	17.4
324.06244	7.1
324.09906	12.9
326.11646	2.7
327.08813	33.6
338.11566	7.5
339.08801	45.7
339.12466	7.7
341.10342	4.4
342.11136	33.3
343.11523	6.4
354.11148	13.1
355.11621	3.5
356.12909	2.7
357.13464	100.0
358.13980	2.5
369.13449	98.3
370.13821	2.4
373.12970	26.3
421.15045	13.2
439.20609	2.2
485.32852	4.7
565.20660	9.9
596.90405	2.6
613.22632	4.6
761.27594	3.0
809.43060	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	809.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32184	1.4
61.98838	8.2
70.99965	2.6
82.89789	1.5
90.00294	1.3
93.03501	1.9
100.39505	1.5
116.92935	1.8
121.02945	3.0
122.03759	9.2
137.02454	5.8
149.02440	12.3
150.03242	57.7
151.03925	1.5
159.76225	1.4
160.01674	4.2
161.02493	1.8
163.75545	1.3
164.04794	3.6
165.01936	31.2
165.05582	53.6
175.04062	1.6
177.05609	1.4
179.03487	8.8
179.07106	3.5
180.04298	21.4
181.05034	2.2
190.06268	3.0
194.05818	2.9
195.06630	73.5
196.06897	1.9
210.05301	4.9
225.07663	24.3
237.56801	1.6
240.07883	5.4
251.07135	2.1
255.10289	2.0
256.07361	2.0
267.06763	2.4
268.07361	12.0
269.04562	3.2
269.07651	1.6
279.06607	1.9
280.07370	3.8
281.08392	1.7
283.06937	1.9
283.09717	10.2
284.06949	2.5
293.08185	2.8
296.06812	6.3
297.07571	3.7
299.09335	3.3
307.06061	1.8
308.06937	8.1
309.07822	7.6
311.05814	2.5
311.09290	3.7
312.06430	10.4
312.09534	2.0
313.10925	1.5
322.08420	4.1
323.09213	16.8
324.06281	6.4
324.09976	9.4
326.08008	2.5
327.08749	25.8
327.12274	3.0
328.09360	2.0
337.10834	2.1
338.11499	4.7
339.08755	53.3
339.12500	6.4
340.09222	2.8
341.10040	3.0
342.11136	34.0
343.11578	3.5
354.11139	15.3
355.45563	1.7
356.12576	2.6
357.13452	93.3
358.13864	5.4
369.13446	100.0
370.13748	4.6
373.12775	8.0
387.14740	1.7
421.15002	4.3
565.20959	14.9
613.22791	6.8
761.28278	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	809.4335
Annotation	Ilekudinoside J
Peak:m/z	Relative Intensity
57.03439	7.3
59.01088	4.0
59.01383	83.8
61.98822	8.8
71.01388	100.0
71.43810	1.9
72.99310	3.7
73.02954	30.5
83.01394	19.4
85.02467	3.2
85.02958	46.8
85.19576	1.8
87.00869	7.4
89.02450	26.6
95.01387	11.4
97.02960	3.4
99.00884	10.6
101.01803	4.2
101.02451	72.6
113.02451	45.6
116.92876	16.7
119.03493	9.2
125.02443	6.2
131.03503	3.1
133.28067	2.0
143.03500	9.7
144.59999	2.0
159.02960	6.1
161.04576	33.4
179.05542	4.8
186.74022	2.0
191.62387	1.9
217.94284	2.3
221.06731	3.7
373.39828	2.5
409.43326	2.3
485.32800	48.8
486.33069	3.8
647.38129	49.7
648.38593	4.6
809.43311	97.4
810.43542	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	809.4338
Annotation	Rivaloside B
Peak:m/z	Relative Intensity
59.01390	12.0
59.01651	2.7
61.98843	22.9
71.01380	13.0
73.02946	3.9
85.02953	5.7
89.02468	2.6
101.02437	7.6
103.81377	1.9
113.02442	3.3
122.03761	3.8
123.51476	2.1
136.01697	2.9
137.02495	2.7
149.02472	5.5
150.03233	27.9
151.00471	2.6
151.03905	4.8
165.05592	27.2
166.02754	2.5
180.04341	4.2
195.06657	19.6
217.68846	2.3
235.89882	1.9
269.04431	2.8
387.14673	3.9
404.37878	2.2
455.31631	12.8
469.99652	2.3
485.32935	13.4
647.38910	5.5
809.43396	100.0
810.43188	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	809.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01384	33.8
60.01706	0.6
61.98822	1.0
64.88835	0.5
71.01017	0.8
71.01388	11.0
72.99308	1.1
73.02955	3.2
83.01392	1.1
85.02955	6.4
86.00126	0.6
87.00918	0.9
87.04541	0.8
89.02450	10.1
90.90778	0.5
101.02454	4.9
103.04001	1.6
103.44406	0.6
113.02428	1.4
115.03991	0.8
123.49539	0.5
131.03517	3.8
143.03549	0.6
163.06255	0.5
171.10262	0.5
393.31668	0.6
423.32834	4.7
439.32205	1.1
469.33160	0.7
471.34842	22.4
472.34903	2.3
525.36383	0.5
540.53906	0.5
585.37878	5.7
603.39319	6.7
604.39441	0.9
749.44873	100.0
750.45081	15.6
809.40686	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	809.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03751	55.6
93.57645	56.7
98.22704	100.0
210.95078	53.0
699.46143	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
75.13173	0.7
76.35944	0.7
98.21896	2.7
114.27994	0.8
136.15773	0.8
185.43922	0.8
217.36038	0.7
251.49585	0.8
308.40213	0.7
317.14697	0.8
407.33118	1.7
453.33759	100.0
454.34238	5.7
532.37372	0.8
555.03119	0.9
710.40680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98835	100.0
69.29613	0.4
69.30014	0.2
71.01402	0.3
89.02470	0.5
89.60028	0.1
101.02493	0.4
119.03555	0.2
137.60054	0.1
143.03500	0.1
143.81763	0.1
150.03275	0.2
150.63104	0.1
158.21326	0.1
177.08284	0.1
191.05623	0.3
195.06689	0.2
203.68874	0.1
221.27351	0.1
250.56285	0.1
272.13687	0.1
285.04288	0.2
728.06622	0.2
753.52893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
94.93121	0.4
97.16293	0.3
273.70541	0.3
285.04260	0.3
289.07480	0.3
318.33771	0.3
369.06363	0.4
515.83221	0.4
675.23132	0.4
736.87079	0.4
776.49945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.6
59.01387	100.0
65.03957	3.1
67.01907	7.2
68.42231	0.8
68.99818	0.9
69.03465	7.6
71.01395	10.6
71.04996	0.9
71.44111	1.2
72.86697	0.9
72.99303	2.8
73.02963	4.6
73.69340	0.8
81.03458	13.8
83.01390	4.0
83.05040	7.4
84.02156	0.9
85.02962	57.6
86.03238	0.9
87.00874	3.8
87.68905	0.9
89.02459	3.8
93.02876	1.3
93.03469	23.2
95.01399	58.9
95.05050	1.1
96.95992	3.3
97.02970	4.2
99.00892	3.9
99.04530	11.1
101.02451	4.2
107.05036	2.3
108.02206	4.4
109.02972	25.1
111.00891	22.6
111.04528	4.2
111.62631	0.8
113.02472	17.7
119.03478	1.1
120.01231	2.7
121.02960	3.3
123.00914	1.1
123.04523	2.7
125.02467	4.3
127.04035	37.6
128.29774	0.8
129.01970	1.3
133.02957	1.0
134.03746	1.0
135.04515	4.0
137.02458	13.4
139.00394	34.4
139.04027	2.3
141.05586	3.8
145.05077	13.1
149.02461	2.1
151.03993	3.5
153.01952	4.4
153.05588	1.1
155.03537	9.6
157.01384	2.8
161.02434	1.5
162.05695	0.9
163.06111	1.6
165.01959	1.0
167.03517	4.1
169.05057	5.3
171.03035	5.1
176.03523	1.3
177.05710	1.2
179.03493	3.4
181.01431	3.7
181.05113	1.8
191.04019	0.9
191.05602	4.6
193.01189	0.8
199.02495	55.7
200.02798	1.2
213.04059	2.1
217.03474	1.1
220.41246	0.9
223.06226	1.5
241.03578	3.0
241.07184	2.3
253.03543	1.2
257.06668	1.8
285.03448	1.4
285.06451	6.5
301.05655	2.0
301.09119	1.1
303.07190	1.5
334.79672	0.9
345.08313	21.9
387.09427	20.1
387.14374	1.8
388.09561	1.3
405.10391	14.9
465.11850	1.2
527.77014	0.9
551.16296	2.0
569.17340	3.2
571.76666	0.9
647.17590	2.0
665.19452	1.6
689.19794	1.4
707.20691	1.9
733.17450	1.6
751.19385	2.1
834.55219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01382	7.1
61.37982	0.4
62.92142	0.4
71.01386	4.3
71.05023	0.5
73.02944	1.9
83.01399	0.5
85.02953	1.7
87.04522	1.2
89.02464	3.5
95.01389	0.8
96.90774	0.4
97.02978	0.8
98.21775	0.6
101.02466	1.6
107.08677	0.4
111.04555	0.5
113.02437	2.4
119.03515	1.3
120.91433	0.4
121.02991	0.8
123.04521	0.4
125.02466	0.5
133.10258	1.2
135.04515	0.7
135.08157	3.4
153.09222	65.2
154.09570	1.7
161.04568	0.5
165.05586	0.6
177.09227	1.0
179.07195	0.8
193.05067	1.1
197.08200	100.0
198.08609	2.2
218.56238	0.4
221.08224	1.5
239.09256	1.7
299.11237	0.7
359.13495	31.9
360.13797	1.3
773.86853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98834	100.0
70.30811	0.2
71.01413	0.1
105.50686	0.1
131.01828	0.1
222.14146	0.1
292.66641	0.1
668.70673	0.1
751.45581	0.2
752.45660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
71.93854	0.4
74.60529	0.3
93.68967	0.3
94.90189	0.3
94.91391	0.3
165.88272	0.3
299.89554	0.3
354.05042	0.4
377.03159	0.3
836.62939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91988	0.5
59.01386	2.2
59.29377	0.5
61.98837	4.3
65.50700	0.5
67.01870	0.6
71.01385	4.5
73.02930	1.1
80.07219	0.5
81.03455	2.1
83.01376	1.1
85.02959	2.6
85.06607	5.6
87.00883	0.8
88.98799	0.8
89.90033	0.5
91.01901	1.5
95.01398	1.3
96.96011	1.7
98.21786	1.3
99.00885	1.0
101.02451	2.9
102.02853	0.5
107.01381	3.5
108.02180	31.1
109.02983	9.2
111.00895	1.5
113.02470	2.3
113.06091	3.7
115.04010	4.1
116.92889	1.3
121.02988	0.5
122.03751	1.1
123.00904	2.0
123.04539	20.3
124.01674	1.3
125.02458	3.3
133.02934	0.9
134.03761	1.2
135.00919	0.5
135.04604	2.5
136.01709	0.7
137.02484	1.1
139.03975	1.0
149.02409	0.6
150.03218	1.0
151.00389	6.4
151.04037	1.1
152.01169	57.5
153.01959	21.3
154.02313	0.7
157.05090	1.4
161.02475	1.7
163.03979	0.6
165.01949	1.3
165.05557	1.1
166.02728	12.1
167.03508	85.7
168.03860	2.8
177.01891	0.7
177.67072	0.7
179.03482	2.3
180.04265	0.9
181.03438	0.7
181.05074	14.5
193.05057	1.3
194.02267	1.0
195.02968	1.5
195.06586	1.7
197.83832	0.6
209.04608	4.1
221.04613	0.7
236.68077	0.5
296.05426	2.6
297.06168	15.4
311.07758	19.7
312.07901	0.9
396.36487	0.6
451.12158	0.9
455.12299	0.7
455.44913	0.6
479.11972	100.0
480.12314	6.3
493.13718	5.5
503.57919	0.5
521.13013	3.9
683.18103	1.0
813.24274	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	813.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02986	7.6
59.01383	0.8
59.39099	0.4
63.82420	0.4
70.02985	6.2
70.48350	0.8
72.00905	1.3
72.04562	2.0
74.02481	43.2
98.02496	9.2
106.08907	0.4
116.03560	10.9
116.05076	15.7
116.66699	0.4
117.05414	0.4
130.06593	1.6
134.23465	0.4
142.06633	3.5
150.03323	0.4
159.09276	3.5
165.05632	0.7
173.08879	0.5
173.78647	0.4
178.02522	0.5
179.25415	0.4
183.09303	0.8
185.68227	0.4
186.05653	0.7
193.05074	0.8
201.10355	3.1
203.08293	43.0
204.08615	1.4
222.51259	0.4
245.09337	100.0
246.09665	3.9
260.33273	0.4
289.07996	0.4
300.02625	0.5
345.66699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
59.01388	36.7
69.03464	8.6
69.18675	6.0
71.01391	23.3
73.02966	8.2
83.01414	4.3
84.27765	0.9
85.02956	9.6
85.06598	1.8
86.00107	1.1
87.00909	1.9
89.02453	10.1
93.03471	2.3
95.01398	2.9
96.95978	1.2
98.85586	1.0
99.00899	3.0
101.02469	16.0
111.00889	1.8
111.04523	1.3
112.01686	9.1
113.02472	31.0
119.03522	3.6
121.02975	3.2
122.03747	3.8
131.03508	2.5
133.02980	5.5
134.03812	2.0
135.04485	1.8
136.01678	1.6
147.04572	2.0
149.02470	19.7
149.06055	2.4
150.03249	25.6
159.03003	1.2
161.02489	1.2
161.04639	1.7
164.04810	4.3
165.05583	25.4
166.06306	4.0
179.05679	1.3
179.10751	1.6
180.04315	1.3
181.08789	5.4
191.05629	2.8
195.06668	6.8
234.56702	1.0
275.07739	19.0
283.09628	1.1
285.04083	1.4
293.08850	12.6
314.11591	3.7
315.12354	2.4
329.13959	17.9
330.14307	1.7
343.14023	9.0
357.15240	1.2
384.36652	1.0
431.09793	1.9
491.19296	100.0
492.19547	7.4
521.20129	2.4
539.21411	83.5
540.21674	8.3
815.29907	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	815.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99422	9.1
79.95759	11.6
80.96523	61.0
84.36223	8.7
91.84834	10.6
94.98106	11.0
110.47512	9.8
146.41136	8.4
164.98607	10.6
166.73654	8.7
177.23380	9.5
216.33318	9.9
225.00797	14.8
317.35956	10.3
502.48911	9.5
663.24042	13.6
815.49963	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	816.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86355	1.6
59.01382	32.4
59.05088	1.6
60.85994	1.6
66.22377	1.8
69.03461	5.0
70.14740	1.7
70.88172	2.3
71.01391	24.4
71.05026	10.1
73.02934	3.4
83.05041	12.9
83.80522	1.5
85.02969	4.0
87.00877	2.9
88.43828	1.6
89.02463	26.2
93.03476	5.4
95.01415	2.0
97.02963	4.9
99.00891	5.3
101.02458	29.6
105.54706	1.6
107.05045	2.8
108.04530	1.7
109.02927	2.0
111.04520	13.8
112.01669	1.9
113.02467	22.3
115.04032	59.3
117.07122	4.7
119.03524	12.7
119.04993	3.2
121.06591	5.4
122.06145	2.5
123.04515	3.0
131.03511	6.4
131.05009	4.0
131.64462	1.8
133.03021	3.8
133.05055	1.9
136.20764	1.8
137.02455	7.2
141.07118	73.2
143.03549	2.8
143.05023	4.5
144.05841	3.5
146.06090	2.0
147.04539	23.1
148.04066	22.2
149.02394	2.1
150.05609	5.9
155.03514	5.1
157.06598	5.6
159.08167	60.6
161.04561	5.9
161.05904	2.2
164.07175	5.3
173.04630	1.9
179.03487	2.3
179.05583	10.5
185.04588	2.1
185.06090	4.2
186.05594	3.6
202.08745	58.0
203.07224	13.2
220.09819	4.0
246.07690	7.2
264.08777	78.6
275.07715	14.9
293.08804	100.0
294.09207	7.5
317.08783	49.4
335.09866	3.6
347.09915	27.3
365.10834	4.7
377.10846	15.4
395.12054	9.6
407.11923	4.6
408.12283	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	817.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	33.0
60.74798	2.7
61.98835	4.6
70.02901	5.3
70.03230	2.6
71.01389	21.6
73.02947	9.0
80.05045	4.1
83.01375	3.7
85.02962	10.6
89.02438	5.6
99.00897	2.5
101.02442	10.1
103.30996	2.3
106.06631	9.7
113.02434	6.0
115.89511	2.6
122.06133	12.2
132.04555	4.3
134.06146	47.0
135.04585	2.9
140.25226	2.4
150.06915	4.0
152.07188	8.9
157.45532	2.2
160.04051	4.4
161.02374	2.4
178.33745	2.6
179.10767	7.4
190.05038	4.5
191.05717	2.7
192.06619	5.2
211.08762	4.3
213.10324	9.3
225.10414	5.1
227.11995	3.6
235.08904	2.8
239.11920	5.0
241.13565	3.0
246.70587	2.7
251.08278	3.0
263.08188	3.6
265.09769	4.3
267.11435	11.9
277.09830	5.7
279.07834	6.3
279.11279	3.6
285.12555	5.5
293.09344	5.2
294.09814	2.4
296.11127	3.0
305.09290	6.3
316.14407	7.6
327.13638	5.0
337.12119	4.0
340.11243	2.3
340.14651	20.1
342.12357	3.9
356.13748	5.0
358.15463	4.6
369.11227	3.5
370.15820	4.4
384.13501	10.9
396.13217	4.8
398.14972	8.3
400.16360	2.6
412.16724	5.2
416.16205	2.9
460.42566	2.6
491.20901	2.9
573.21747	5.3
591.22546	4.5
655.40216	10.6
685.28900	4.6
694.25775	7.7
709.28113	2.8
711.26489	5.0
712.27917	5.9
753.27808	100.0
754.28137	9.6
785.30469	98.0
786.30743	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	817.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01712	0.9
61.98826	1.3
61.99137	0.4
63.75306	0.3
66.48610	0.3
71.01388	2.4
71.75731	0.4
87.00880	0.5
89.02460	1.7
96.99320	6.2
97.02949	0.6
101.02444	1.9
113.02450	1.1
119.03483	0.4
125.02421	0.9
141.01714	50.3
142.02057	0.7
143.03482	0.7
159.62578	0.4
161.04477	0.5
201.09143	0.4
220.37863	0.4
235.08205	0.7
243.04903	0.4
277.21735	5.3
359.22089	3.2
373.87915	0.4
397.13522	9.4
398.13947	0.5
415.14587	1.8
419.11676	2.1
437.12653	3.9
461.12106	0.4
675.35742	0.7
697.33588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98847	0.9
66.91901	0.6
71.01393	3.0
71.65559	0.5
89.02461	2.2
96.99323	2.6
97.02968	0.5
98.22643	1.9
101.02477	1.7
113.02491	1.0
119.03548	1.0
119.99668	0.5
125.02467	1.1
141.01712	49.9
142.02173	0.6
144.58850	0.6
147.17522	0.5
217.22029	0.5
232.15791	0.5
235.08351	0.9
237.42461	0.5
277.21698	5.5
278.22238	0.8
308.16507	0.5
359.22025	6.0
397.13483	12.5
415.14621	2.9
419.11618	2.6
437.12753	4.3
508.27176	0.6
629.58148	0.6
675.36517	0.7
697.34387	2.4
840.57703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01375	0.8
61.98818	0.3
62.72679	0.3
69.03454	0.8
70.08276	0.3
70.08626	0.8
71.01394	0.6
73.07973	0.4
82.13177	0.3
85.02954	4.0
95.05043	0.5
97.02984	0.5
97.06588	2.4
125.09758	0.9
127.11293	1.1
131.47437	0.3
137.09717	1.1
148.10979	0.3
155.10794	0.5
155.14397	0.5
165.12834	0.6
171.10275	10.4
177.12836	0.8
183.13905	2.6
185.11884	0.9
193.12300	0.9
197.11827	0.4
209.11855	1.2
211.13405	13.5
212.13686	0.4
213.14981	0.9
221.11914	2.4
229.14444	10.0
239.12964	1.4
247.20512	0.4
256.02237	0.3
291.19672	2.5
309.20743	0.9
327.21780	100.0
328.22076	3.2
340.16373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
65.16704	0.6
69.52103	1.8
69.52502	0.9
97.01337	0.5
229.41124	0.6
357.85007	0.7
399.04260	0.7
630.95660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85668	2.2
61.98833	4.4
66.69945	2.4
71.44171	2.3
82.06635	2.8
87.05647	4.3
106.02531	2.4
113.03578	3.2
129.10367	16.4
130.08696	3.8
139.08714	4.3
140.07170	2.6
155.08290	4.6
164.09593	3.9
165.10310	4.8
180.21709	2.5
182.12932	2.5
195.15004	2.5
197.16513	3.6
200.14110	6.0
207.15060	16.3
217.00308	3.6
224.17673	8.8
225.15906	4.6
241.13441	4.8
242.11792	2.9
242.18851	15.2
242.20987	2.4
259.14484	3.9
271.41916	2.4
295.21472	7.0
312.17487	2.4
313.22159	3.6
329.19989	4.3
337.26166	7.9
355.26941	4.9
427.69980	2.9
430.59152	2.6
524.38550	2.5
539.39600	3.7
573.37708	2.6
597.07404	2.7
628.24860	2.3
698.84601	2.8
773.40601	2.7
782.51923	100.0
783.52136	14.4
818.49518	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	819.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.5
59.01383	35.3
61.98815	5.1
64.94406	2.3
65.88473	2.7
70.82767	2.3
71.01385	23.2
73.02946	10.8
80.05036	3.3
81.43683	2.3
82.70656	2.1
83.01407	2.6
85.02945	6.1
89.02449	8.4
101.02459	6.9
104.05040	2.8
106.06649	8.7
108.04573	6.6
113.02459	10.0
122.06134	7.3
124.04056	6.6
125.02451	3.0
132.04564	6.9
134.06133	47.9
136.04033	5.6
150.05608	3.0
151.78661	2.2
152.07152	7.1
158.02493	4.1
159.28876	2.4
160.04065	3.9
177.01906	3.2
180.49461	2.4
190.05150	6.1
201.10332	3.4
229.09795	6.5
234.79263	2.6
247.10928	3.4
249.10381	2.8
263.08298	4.7
267.11353	3.4
277.09790	3.8
283.10898	4.7
291.02344	2.4
301.12064	11.0
305.09323	4.4
307.10745	3.4
314.12683	2.8
319.13290	3.3
329.11697	2.8
356.13959	3.0
361.14044	3.5
374.14975	9.6
382.11874	2.6
412.12933	3.5
414.14752	3.6
418.14066	3.3
432.15573	12.3
444.15558	3.0
446.17328	4.1
460.15106	4.7
532.90192	2.6
607.22015	3.4
625.22754	4.2
657.22339	4.4
727.27039	2.9
746.28186	3.1
759.28577	6.0
769.27649	12.0
787.28314	100.0
788.28687	13.3
801.29633	34.7
802.30560	5.7
819.31165	93.6
820.31238	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	819.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.0
59.55701	0.4
61.98843	1.9
69.14669	1.8
69.15092	1.0
71.01393	2.2
72.99311	0.4
73.02940	0.4
85.02948	0.4
87.00887	0.7
89.02439	1.4
93.03474	0.7
94.69697	0.4
95.05016	0.6
96.96021	0.5
98.21828	0.5
101.02438	1.5
108.04547	0.5
113.02442	1.1
119.03490	0.4
120.04549	2.9
121.05369	2.0
122.06150	5.7
133.82620	0.5
134.06148	3.7
135.04553	0.7
135.06911	1.1
136.07687	11.2
146.06090	0.6
150.05634	0.5
158.02483	1.5
161.02403	0.7
161.07195	0.9
162.05630	0.7
171.11790	2.7
186.09225	0.5
189.10289	0.5
190.05110	5.7
191.05560	0.8
198.09259	1.5
199.10025	1.9
201.11328	1.7
202.11703	0.5
214.07664	0.8
214.12407	12.5
226.07455	1.3
227.08298	2.3
228.08998	1.2
229.09839	3.9
230.11856	4.4
241.09840	7.9
242.10614	17.0
243.10876	0.9
256.12253	0.6
257.12976	81.4
258.13275	3.8
279.11240	0.4
300.11127	0.6
301.11957	100.0
302.12274	3.8
314.12555	0.6
321.20432	0.5
337.11880	1.6
338.12836	0.5
341.94748	0.5
517.18292	23.9
518.18799	2.4
686.38794	0.7
775.32544	0.9
819.31238	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	819.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.8
61.98829	2.0
69.33753	1.5
69.34154	2.9
71.01395	2.2
73.02962	1.0
89.02456	1.2
98.22639	1.7
101.02427	1.1
107.03747	0.7
120.04533	2.4
121.05401	1.6
122.06141	5.2
134.06117	3.3
135.06940	1.0
136.07698	11.0
149.02402	0.9
158.02507	1.2
161.02457	1.2
162.88661	0.7
171.11812	2.3
179.03555	1.1
190.05104	4.4
191.05634	0.7
198.09259	2.8
199.10051	1.0
214.07349	0.7
214.12405	11.6
227.08337	1.7
229.09903	4.7
230.11894	3.8
241.09842	6.1
242.10612	17.2
257.12979	85.3
258.13300	2.2
301.11963	100.0
302.12183	3.0
337.12115	1.5
402.06967	0.7
517.18292	20.9
518.19025	1.6
592.78430	0.9
787.29047	1.5
819.30890	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	819.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	15.9
60.07723	1.6
61.98829	7.4
67.01883	1.9
69.21875	3.5
69.22271	9.4
71.01378	7.6
72.40348	1.7
73.02950	2.0
85.02935	2.5
86.59328	1.9
89.02431	3.8
89.85987	1.8
93.03423	2.2
101.02464	3.5
113.02511	2.3
120.04564	2.9
121.05337	2.2
122.06117	7.5
123.73594	2.1
134.06161	5.3
136.01634	2.3
136.07700	12.2
150.06853	8.8
161.02444	3.6
164.08368	2.6
171.11838	2.1
179.10786	8.7
190.05121	8.5
199.10010	2.0
202.27841	2.1
214.12466	10.8
227.08260	1.9
229.09869	3.7
230.11885	5.0
230.42700	2.1
241.09837	7.3
242.10562	18.4
257.12970	88.5
258.13095	2.3
266.49884	1.9
301.11954	100.0
302.12140	6.2
445.99060	2.3
517.18329	20.2
527.55981	2.1
527.91577	2.2
657.42297	12.0
783.40826	4.0
819.30505	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	819.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	0.8
59.01379	7.7
61.98829	3.4
69.41129	1.4
69.41513	1.6
71.01381	3.1
72.41943	0.5
76.25903	0.5
79.05511	0.6
81.03475	0.5
83.01389	0.8
85.02969	0.9
88.58837	0.5
89.02432	1.0
89.03990	0.8
95.05003	0.8
96.96001	0.6
98.13010	0.5
98.22605	1.2
101.02423	1.6
102.76658	0.6
105.03477	1.0
107.03729	0.6
108.02179	1.3
108.04506	0.9
113.02431	1.0
119.03476	1.1
120.04519	2.3
121.02924	0.6
121.05348	2.8
122.06133	6.3
132.04512	1.2
133.02931	2.6
134.06143	4.8
135.04544	1.6
135.06882	0.9
136.07710	10.9
137.02428	0.7
148.07680	0.7
149.02480	0.9
152.01132	1.2
152.07195	0.6
155.10823	2.7
158.02480	2.2
160.03970	0.9
161.02448	1.5
161.07201	1.0
162.05597	0.9
163.07597	1.1
171.11742	2.0
177.01941	22.2
179.03516	1.4
186.09274	0.9
190.05063	6.1
198.09254	2.9
198.82410	0.7
199.09862	1.6
214.07346	0.6
214.12393	12.3
226.07486	0.7
227.08260	2.7
229.09821	5.8
230.11891	4.6
241.09804	9.2
242.10625	16.7
243.11035	0.7
257.12976	83.5
258.13348	2.8
288.89188	0.6
301.11957	100.0
302.12259	2.1
314.12433	0.6
319.18042	0.6
337.11902	2.3
497.16959	0.9
517.18304	23.9
518.18896	1.7
632.22375	0.6
641.21118	1.3
687.36102	1.1
743.29688	1.3
745.27106	1.8
775.31927	0.9
782.91864	0.7
787.28723	1.9
819.31836	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	819.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01703	0.9
61.20165	0.6
61.98839	2.2
71.01395	2.3
71.44157	1.0
79.30251	0.7
85.02957	0.7
89.02464	2.1
96.99343	2.1
101.02425	1.6
112.30525	0.7
113.02478	1.3
132.55859	0.7
141.01711	55.8
183.49791	0.7
211.13402	0.9
229.61618	0.7
232.44214	0.7
235.08383	1.1
253.09193	1.0
279.23264	6.7
313.86865	0.8
338.73846	0.8
361.23608	3.5
397.13498	10.9
415.14594	2.1
419.12112	2.0
437.12961	3.1
453.09540	0.9
512.13287	0.7
611.60706	1.0
640.71906	0.8
677.37988	0.8
699.36011	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	819.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60197	0.7
59.01385	100.0
69.39132	2.4
69.39535	1.7
71.01364	1.2
83.05012	1.2
92.92892	0.7
96.99333	2.4
117.47658	0.7
135.04556	1.3
141.01717	57.5
150.03290	1.0
191.05551	1.1
284.03214	1.1
285.04013	1.4
301.11932	1.0
363.52246	0.8
369.14328	0.9
473.10999	2.4
506.46573	0.8
584.69788	1.0
657.21954	1.2
677.49829	14.3
678.48999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58727	1.9
59.01389	33.7
59.85218	1.8
59.95113	1.7
61.98831	8.8
71.01392	23.7
71.41665	1.9
73.02943	8.3
83.01371	2.9
85.02968	13.1
87.00884	4.9
89.02454	11.8
94.02995	24.4
96.04572	2.0
96.95991	2.6
99.00883	2.3
101.02466	10.4
106.06663	5.8
108.04571	5.6
108.77103	1.7
113.02487	10.0
119.03477	4.9
120.08176	5.9
120.21452	2.1
122.06149	13.9
124.07711	3.3
125.02479	3.1
130.02911	1.9
132.04640	3.2
134.06143	54.5
136.04034	5.1
136.07712	20.1
138.05598	8.1
148.07658	2.5
150.05501	2.4
152.07164	12.6
158.02496	6.9
160.04025	4.8
168.06760	2.2
176.03551	2.4
177.01961	2.0
190.05112	28.7
221.10878	7.2
223.08742	3.7
224.09502	2.3
235.08702	3.5
237.10316	4.7
238.11057	2.2
239.11897	5.1
249.06573	1.9
249.10266	8.2
251.08281	3.5
251.11914	4.2
263.08319	6.5
263.11819	3.3
264.09076	8.7
265.09799	6.7
276.09140	3.7
277.07037	2.9
277.09784	14.6
278.10562	4.1
279.11362	16.3
291.08157	2.6
291.11349	11.0
295.10721	3.2
296.11188	3.1
303.13599	4.2
305.09366	18.7
309.08694	3.0
314.12662	3.1
316.14407	4.4
317.09271	3.4
323.10208	5.3
334.15329	2.3
337.12140	11.0
358.15771	3.8
360.13275	3.5
370.15686	3.2
372.17233	1.9
384.17447	2.4
385.17841	2.4
386.18805	2.9
402.13898	2.2
424.16876	2.3
430.17557	2.9
452.15726	4.1
470.17218	2.4
471.17780	2.6
472.18991	5.9
517.18274	22.0
518.18536	3.2
609.23151	2.2
632.22650	10.8
633.23187	2.9
664.25159	100.0
665.25861	9.7
687.26898	9.6
729.27911	20.5
753.27686	4.1
761.30450	64.2
762.30817	11.9
771.28925	29.2
772.29504	3.4
785.30322	6.9
789.29828	16.3
790.30481	2.8
803.31738	37.0
804.31720	5.6
821.32660	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	821.326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	33.6
61.98832	2.8
64.24064	2.4
71.01382	15.9
71.02943	2.2
71.12616	3.1
76.69408	2.6
85.02953	4.3
89.02454	10.2
91.46684	2.4
101.02460	9.3
104.05045	3.3
106.06657	4.2
113.02459	4.4
116.27734	2.6
120.08235	2.9
122.06129	8.5
125.02462	6.2
134.06125	35.6
135.64133	3.3
136.07648	2.9
152.07188	4.0
161.02449	3.4
177.02002	2.7
177.57500	2.2
203.07303	2.7
221.12614	3.1
253.09798	4.3
254.10547	10.0
255.11444	10.8
267.11194	4.1
269.04465	3.9
386.15005	17.1
401.17459	25.2
402.18109	5.1
420.19492	6.0
523.22369	3.4
581.23865	9.1
607.33966	2.9
625.22852	8.3
703.29810	11.1
745.31598	3.6
747.28937	100.0
748.29468	13.5
789.30371	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	821.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	30.5
69.16299	5.2
71.01394	14.0
73.02946	1.1
80.05070	2.9
83.01392	1.5
84.88142	0.8
85.02947	4.1
87.00902	1.1
87.04509	1.0
89.02452	10.0
91.02916	0.8
95.01388	2.0
96.02226	1.0
101.02464	7.6
104.05109	1.3
106.06628	4.1
107.03739	1.1
108.04564	1.7
111.04533	2.1
113.02452	3.8
115.04017	15.6
118.06754	1.0
119.03513	2.7
122.06118	6.6
124.01707	5.1
132.04564	2.5
134.06134	22.8
135.04541	1.0
136.01663	6.4
136.07695	2.8
139.04030	28.4
146.06116	1.9
148.04047	0.9
151.04033	10.4
152.07141	5.7
160.04070	1.6
174.05569	1.5
180.06723	4.3
188.07220	5.8
190.05127	1.5
199.35086	0.8
211.08807	1.8
213.10234	1.5
223.08730	1.1
224.09541	1.8
225.10397	3.5
227.11858	1.9
235.08784	1.5
237.10329	1.9
238.07361	1.3
239.08275	1.6
239.11867	2.7
249.10344	2.9
250.10962	0.9
251.08260	3.8
251.11899	3.5
252.09033	3.1
253.09821	8.4
263.08279	1.8
264.09079	2.2
265.09842	3.2
267.11340	7.0
277.09723	4.7
278.10501	1.4
279.07761	4.4
279.11383	7.0
280.08521	1.2
280.11813	0.9
285.12500	2.1
291.07822	1.9
292.08475	4.0
293.09384	9.2
294.10098	3.6
295.10825	12.7
305.09317	3.4
307.10931	11.9
308.11530	1.7
314.12500	1.8
321.08835	4.9
323.10303	1.4
333.08832	1.7
339.09763	5.8
342.11176	1.0
351.09830	3.8
357.13467	14.7
358.13971	1.1
372.17560	1.2
400.16708	2.8
401.17078	1.0
412.16565	2.3
414.18219	1.4
424.16718	1.4
440.16110	2.6
442.17474	1.5
444.63321	0.9
458.17197	2.7
468.15628	3.6
486.16684	2.2
519.18994	1.9
620.22443	4.2
622.23621	1.5
638.23407	6.8
648.21759	2.9
652.20599	1.3
666.23102	100.0
667.23615	12.5
670.14807	0.9
670.25958	1.8
698.25702	69.9
699.25983	10.1
727.29950	1.6
771.28766	11.2
789.29944	11.9
790.31097	1.4
803.31592	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	821.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.9
61.98828	4.7
71.01382	10.6
80.05069	2.0
82.95557	1.0
83.01371	1.2
85.02947	3.0
89.02463	7.7
95.01415	1.4
96.96027	1.1
97.52732	1.0
98.22650	2.0
101.02436	7.2
106.06632	4.8
107.03828	1.4
108.04557	3.3
113.02480	4.4
119.03513	2.2
120.04559	2.0
120.08212	1.4
121.05339	2.3
122.06136	18.6
132.04556	4.8
134.06134	20.4
136.07678	5.5
146.06120	3.0
152.07207	5.6
160.06418	3.7
160.07594	1.4
162.09241	5.7
180.06612	6.2
197.07217	1.1
211.08791	2.0
213.10339	19.3
223.08989	1.1
225.10310	3.7
226.11121	2.8
227.11798	1.6
235.08656	1.4
236.09441	2.1
237.10257	3.9
237.12483	1.1
238.11147	1.8
239.08405	2.3
239.11832	6.7
241.13478	18.7
251.08189	2.4
251.11855	9.0
252.12625	2.6
253.09750	3.4
253.13493	4.0
263.08310	1.1
263.11835	1.8
265.09772	1.8
265.13321	1.3
267.11264	2.3
267.15030	5.8
268.12201	1.8
277.09879	1.8
279.11420	11.1
280.12183	1.7
281.13019	3.1
283.14609	3.0
285.03961	1.6
285.12473	43.2
286.12808	2.4
293.12744	1.1
311.14188	1.0
313.11771	1.8
314.12479	1.4
328.46155	1.0
358.15445	2.6
374.18671	2.9
384.17245	2.1
386.18875	1.2
398.18707	2.7
399.19305	2.9
459.17749	2.3
578.24854	2.2
609.81830	1.3
622.24182	2.4
623.24634	2.5
624.25275	1.5
640.25159	4.2
654.26581	12.5
701.31702	6.8
745.30969	100.0
746.31433	11.0
777.33594	26.5
778.34131	3.4
803.31854	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	821.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58727	1.9
59.01389	33.7
59.85218	1.8
59.95113	1.7
61.98831	8.8
71.01392	23.7
71.41665	1.9
73.02943	8.3
83.01371	2.9
85.02968	13.1
87.00884	4.9
89.02454	11.8
94.02995	24.4
96.04572	2.0
96.95991	2.6
99.00883	2.3
101.02466	10.4
106.06663	5.8
108.04571	5.6
108.77103	1.7
113.02487	10.0
119.03477	4.9
120.08176	5.9
120.21452	2.1
122.06149	13.9
124.07711	3.3
125.02479	3.1
130.02911	1.9
132.04640	3.2
134.06143	54.5
136.04034	5.1
136.07712	20.1
138.05598	8.1
148.07658	2.5
150.05501	2.4
152.07164	12.6
158.02496	6.9
160.04025	4.8
168.06760	2.2
176.03551	2.4
177.01961	2.0
190.05112	28.7
221.10878	7.2
223.08742	3.7
224.09502	2.3
235.08702	3.5
237.10316	4.7
238.11057	2.2
239.11897	5.1
249.06573	1.9
249.10266	8.2
251.08281	3.5
251.11914	4.2
263.08319	6.5
263.11819	3.3
264.09076	8.7
265.09799	6.7
276.09140	3.7
277.07037	2.9
277.09784	14.6
278.10562	4.1
279.11362	16.3
291.08157	2.6
291.11349	11.0
295.10721	3.2
296.11188	3.1
303.13599	4.2
305.09366	18.7
309.08694	3.0
314.12662	3.1
316.14407	4.4
317.09271	3.4
323.10208	5.3
334.15329	2.3
337.12140	11.0
358.15771	3.8
360.13275	3.5
370.15686	3.2
372.17233	1.9
384.17447	2.4
385.17841	2.4
386.18805	2.9
402.13898	2.2
424.16876	2.3
430.17557	2.9
452.15726	4.1
470.17218	2.4
471.17780	2.6
472.18991	5.9
517.18274	22.0
518.18536	3.2
609.23151	2.2
632.22650	10.8
633.23187	2.9
664.25159	100.0
665.25861	9.7
687.26898	9.6
729.27911	20.5
753.27686	4.1
761.30450	64.2
762.30817	11.9
771.28925	29.2
772.29504	3.4
785.30322	6.9
789.29828	16.3
790.30481	2.8
803.31738	37.0
804.31720	5.6
821.32660	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	823.4485
Annotation	Yiamoloside B
Peak:m/z	Relative Intensity
58.00598	0.6
59.01384	68.2
61.21383	0.4
61.98836	1.6
69.03460	1.0
71.01388	77.4
72.99319	1.6
73.02951	23.5
75.00887	0.7
80.63313	0.5
81.03461	0.6
83.01393	13.9
84.02161	1.1
84.76327	0.5
85.02958	41.1
87.00886	5.4
89.02452	20.7
89.03019	0.7
95.01403	6.8
95.25697	0.5
97.02953	3.6
98.22685	1.3
99.00899	8.9
101.02451	53.0
111.00911	0.7
113.02461	33.7
119.03508	8.4
125.02486	3.7
129.01964	1.2
131.03525	1.8
143.03519	6.2
159.02994	5.1
161.04568	27.4
179.05612	3.0
212.87961	0.6
221.06654	3.2
304.19870	0.5
390.66537	0.6
409.99887	0.6
439.32068	1.6
457.33206	1.6
499.34372	22.8
500.34576	1.9
588.50098	0.6
661.39655	38.0
662.40002	3.8
676.46033	0.6
723.24298	0.6
725.99493	0.6
823.44922	100.0
824.45282	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	823.556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.6
61.98824	4.7
69.16579	6.2
71.01394	1.4
77.17330	0.9
81.03457	15.3
83.05032	39.8
89.02442	1.2
98.22710	1.7
100.07699	5.5
101.02395	1.4
108.03025	0.9
113.02572	1.0
136.01651	1.0
151.04004	1.5
185.25128	0.9
191.05669	1.2
199.18179	9.5
207.15054	0.9
213.09961	1.2
223.06143	1.0
225.16042	6.8
243.17165	15.0
284.03247	2.9
299.05658	3.0
353.20737	4.9
381.13400	1.0
383.92209	0.9
451.32822	2.2
469.33926	11.4
579.37885	2.0
695.50836	5.5
747.31464	2.2
779.33868	1.6
823.55536	100.0
824.55621	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	824.445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.7
61.98835	9.1
69.85786	1.3
71.01385	38.1
72.99305	1.7
73.02956	8.3
76.00317	1.1
82.19703	1.4
83.01405	7.3
85.02949	18.6
85.24654	1.1
87.00874	3.2
88.63680	1.2
89.02435	8.8
95.01411	2.0
96.96024	1.8
97.02951	1.7
98.22555	1.7
99.00878	4.9
101.02452	25.8
101.87444	1.3
109.23081	1.1
113.02446	15.6
119.03477	2.6
122.03680	1.4
125.02473	1.4
129.02008	1.1
131.03531	1.7
135.04536	1.7
137.02473	1.2
143.03491	2.6
161.04590	7.2
179.05594	1.6
188.49828	1.3
198.27872	1.2
200.91658	1.3
230.93440	1.3
281.06451	1.2
285.03842	1.7
357.13364	2.5
457.33127	10.3
485.92767	1.3
506.92078	1.3
619.38538	12.5
620.38440	2.0
762.26575	1.4
781.43817	100.0
782.44348	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	825.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	6.6
59.01387	15.3
61.98824	0.6
66.15847	0.7
66.78313	0.7
69.34417	2.5
69.34830	1.5
70.02975	5.5
71.01386	8.6
72.00915	1.9
72.04524	1.9
74.02480	46.5
81.42865	0.7
85.02942	1.9
88.98814	0.7
89.02452	5.2
98.02473	8.4
101.02465	4.7
104.05063	2.2
106.06609	1.2
108.04566	2.0
113.02474	3.4
116.03547	10.8
116.05074	16.3
119.03515	2.8
125.02439	0.9
130.06659	1.7
130.62172	0.7
132.04572	19.9
134.06137	12.6
142.06613	4.4
152.07198	1.8
158.02582	0.8
158.06119	1.5
159.09290	4.5
161.02487	0.9
176.03535	5.3
186.05563	1.6
188.03539	1.4
190.05080	3.8
201.10318	2.6
203.08269	44.3
204.08540	1.2
210.69226	0.7
234.80650	0.7
245.09320	100.0
246.09662	3.0
246.38606	0.7
251.11963	2.5
255.11348	1.6
279.11426	11.2
288.88394	0.8
295.10867	2.3
307.13940	2.0
314.12506	2.1
323.10361	8.0
435.17773	2.5
459.17792	8.2
475.17130	2.8
503.16754	62.9
504.16919	3.7
517.18365	7.7
535.19354	62.1
536.19647	6.0
600.65857	0.8
630.10919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.493
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59229	40.1
69.57404	100.0
69.57800	65.3
97.42903	36.8
101.49457	41.5
259.89835	50.5
366.25156	41.8
583.36493	45.9
599.96997	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67694	3.3
59.01388	70.9
65.26392	2.9
69.03463	14.5
71.01388	57.5
73.02943	6.7
77.36900	3.0
83.01405	3.6
83.05046	24.2
85.02969	20.1
87.00910	9.3
89.02459	39.0
93.03493	5.7
95.05019	4.2
96.96050	3.9
99.04503	4.7
101.02464	30.4
101.49013	3.4
109.02985	3.8
111.04533	26.5
112.01676	12.4
113.02464	60.3
119.03543	20.4
123.04535	6.4
125.02487	4.3
131.03514	22.0
133.02934	6.9
135.04558	10.2
137.02458	10.5
149.01001	4.2
149.04576	3.9
155.03505	9.0
157.99672	3.4
161.02478	6.1
161.04594	7.5
167.03526	7.0
173.04626	6.7
179.03537	11.3
179.05644	26.2
191.05632	46.9
192.06073	4.1
262.51154	3.6
275.07767	100.0
278.84030	3.2
293.08844	73.0
317.08817	33.3
347.09885	9.8
350.30774	3.5
351.07190	7.2
352.52686	3.0
353.08887	4.4
360.20590	3.2
377.10803	7.8
395.12103	8.3
551.16248	22.3
569.17249	79.9
593.17310	14.2
623.18237	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	26.9
59.63291	3.0
61.98826	9.1
68.67115	3.0
69.18368	9.4
69.18797	8.3
71.01378	18.1
87.00909	3.7
89.02441	10.6
96.96053	3.1
101.02476	8.8
113.02431	4.3
122.06142	5.5
125.02523	3.2
132.04565	5.1
134.06145	21.2
142.55603	2.8
152.07156	5.5
172.63695	3.1
177.01859	4.5
179.03404	3.2
179.05705	4.4
190.05167	6.5
199.77420	3.1
209.08160	3.3
224.09561	3.7
237.10295	4.8
251.11896	5.0
263.08151	4.7
265.09781	3.2
277.09903	7.3
278.10675	4.4
279.11349	12.5
291.11319	6.4
301.09662	3.7
305.09149	9.1
307.10675	5.0
309.12338	4.9
345.08310	7.3
346.09290	3.8
347.10132	4.1
384.17355	3.2
424.16443	10.1
426.18192	3.6
426.89154	3.3
436.16400	6.6
448.16339	6.0
466.17261	8.4
468.15570	7.1
492.15628	4.3
493.16031	7.7
494.16858	6.3
495.17886	4.1
512.17798	6.7
517.18329	12.6
615.22522	5.3
665.35236	3.4
672.21637	9.4
673.22363	5.2
697.41064	3.2
704.24200	24.6
795.28558	100.0
796.28754	11.5
827.31122	96.1
828.31366	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	827.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50006	1.5
59.01387	53.2
60.83829	1.5
61.98824	6.8
69.03469	2.2
69.37089	6.2
71.01392	43.3
73.02952	15.5
76.35346	1.8
83.01392	11.9
85.02956	21.9
87.00880	4.0
89.02451	21.5
95.01392	4.6
97.02958	3.8
99.00883	4.0
100.85052	1.8
101.02453	37.6
111.00877	2.3
113.02464	17.7
119.03511	6.8
125.02466	1.9
125.63655	1.5
131.03548	1.8
133.03049	1.5
136.01668	2.0
143.03522	4.5
151.04041	2.3
161.02376	1.7
161.04593	7.0
179.05603	8.2
221.06628	1.7
241.94702	1.6
390.63589	1.7
503.32343	80.4
504.32660	3.6
647.36823	5.8
665.37640	100.0
666.38165	7.7
707.68060	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	829.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.4
61.98811	1.0
69.62286	3.5
71.05029	6.0
74.32029	0.8
101.02416	1.0
124.17188	0.8
126.59786	0.7
153.78120	0.8
206.57997	0.9
323.09912	1.3
339.53973	0.9
351.26849	1.2
359.07544	14.8
423.32614	2.9
469.33240	100.0
470.33798	9.4
508.66354	1.0
624.81189	1.0
670.28015	1.0
710.21503	0.9
764.97089	1.1
790.53229	1.0
793.43530	2.1
829.41510	28.2
830.41321	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	831.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
60.99314	17.7
62.07103	0.4
71.41650	0.4
72.55281	0.4
75.96622	0.3
87.00893	2.0
88.00410	1.1
88.98814	100.0
89.02454	8.2
89.99166	0.5
101.81583	0.4
116.92870	0.9
121.02935	0.4
156.85521	0.4
181.05045	0.6
252.54970	0.4
332.36475	0.5
417.15469	1.1
509.73605	0.4
827.50415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
60.42581	1.6
61.98838	3.6
63.07374	1.6
71.01369	2.6
79.75925	2.0
89.50788	1.5
96.96002	1.4
98.21894	4.8
101.02382	2.7
115.80060	1.5
150.06871	44.0
155.11028	2.1
162.06793	1.6
163.07643	5.9
164.08434	7.3
179.03485	2.3
179.10808	21.7
185.11935	2.0
269.04489	3.7
327.21753	13.5
329.76361	1.7
489.32242	6.4
506.32529	5.3
507.33328	27.3
508.33975	3.9
521.34674	2.0
549.35083	2.1
651.37378	4.6
668.34412	1.9
669.38580	100.0
670.38617	6.8
857.39276	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	831.439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
60.42581	1.6
61.98838	3.6
63.07374	1.6
71.01369	2.6
79.75925	2.0
89.50788	1.5
96.96002	1.4
98.21894	4.8
101.02382	2.7
115.80060	1.5
150.06871	44.0
155.11028	2.1
162.06793	1.6
163.07643	5.9
164.08434	7.3
179.03485	2.3
179.10808	21.7
185.11935	2.0
269.04489	3.7
327.21753	13.5
329.76361	1.7
489.32242	6.4
506.32529	5.3
507.33328	27.3
508.33975	3.9
521.34674	2.0
549.35083	2.1
651.37378	4.6
668.34412	1.9
669.38580	100.0
670.38617	6.8
857.39276	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	831.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	31.0
61.98840	1.1
69.03445	0.9
70.04213	2.2
71.01388	25.7
72.77839	0.7
72.99310	1.6
73.02951	10.6
74.43262	0.8
75.00860	0.8
83.01396	6.1
85.02960	12.6
86.00100	0.8
87.00884	2.9
89.02464	8.1
93.03507	1.2
95.01380	3.2
97.02959	1.5
98.22001	1.0
99.00885	3.4
101.02451	25.4
111.00914	5.5
113.02464	11.0
119.03500	2.9
120.36133	0.7
125.02467	1.4
129.01970	2.1
134.03764	0.9
135.04526	1.2
156.47708	0.9
159.02946	2.1
161.02483	0.9
161.04568	2.7
340.90201	0.7
345.30038	2.7
355.00220	0.8
404.12561	1.6
431.14719	1.0
467.17419	1.4
479.17072	1.1
507.35443	5.5
640.09497	0.8
669.40857	6.6
831.46075	100.0
832.46521	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	831.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	68.8
59.17489	0.9
60.01712	0.8
60.36086	0.8
61.98818	3.4
62.23244	0.8
71.01390	48.7
71.41716	1.0
72.99307	2.3
73.02955	9.5
75.00879	1.3
82.95463	0.8
83.01403	5.5
85.00468	1.1
85.02464	1.4
85.02962	17.7
87.00880	3.7
88.98740	0.9
89.02454	23.0
95.01406	5.0
96.95996	3.3
99.00885	3.7
101.02461	30.6
111.00873	3.2
113.02462	16.9
119.03506	8.6
125.02462	1.1
129.01903	0.8
129.04967	0.8
133.02930	1.1
134.03714	1.3
135.04512	8.5
137.02403	1.0
143.03456	1.4
150.03210	1.1
159.02997	2.2
160.04018	1.9
161.02507	1.8
161.04549	3.5
179.03526	6.8
191.05521	1.0
293.11938	0.8
312.10062	0.9
327.12460	1.2
345.30231	1.9
438.93744	0.9
507.16458	1.0
507.35391	2.8
651.39746	7.1
669.22083	1.6
669.40704	10.8
670.41565	1.0
761.10681	1.0
770.47681	1.0
831.45990	100.0
832.46912	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	833.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.9
61.98820	2.8
69.75226	0.7
70.39384	1.3
71.01388	5.3
71.11880	0.7
73.02953	9.0
73.53238	0.7
73.53818	0.7
78.69604	0.6
85.02955	0.7
89.02451	3.0
95.82021	0.7
101.02457	3.4
106.96322	0.7
113.02419	1.9
119.03469	1.6
132.04700	0.8
134.06146	2.9
148.03993	1.0
158.02469	3.4
190.05107	11.8
192.06766	0.8
198.09300	5.7
214.08804	1.2
225.06723	1.9
226.07465	4.5
227.08292	1.0
229.09831	6.7
240.10272	1.9
241.09830	55.3
242.10368	2.7
264.76227	0.7
283.10922	8.2
292.38306	0.8
304.53461	0.7
314.12488	1.3
315.13525	100.0
316.13751	3.5
337.11938	5.3
338.12781	1.2
503.32495	8.2
517.18311	46.3
518.18842	6.6
801.30035	1.0
833.32892	3.2
833.48492	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	833.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.8
61.98830	3.5
71.01408	1.8
89.02470	1.2
116.92886	1.0
134.06184	1.3
142.74847	1.0
159.02634	1.0
168.07381	1.0
190.05128	2.8
198.09320	2.3
207.31683	1.1
226.07382	1.2
228.09030	2.7
238.38846	1.2
239.11903	12.3
241.09833	72.7
242.10179	4.0
253.64642	1.2
255.11327	1.4
256.12177	49.5
257.12531	2.3
269.04697	1.3
271.75009	1.2
300.11179	10.5
315.13522	100.0
316.13669	6.8
337.12024	2.7
389.51077	1.2
517.18317	18.0
518.18707	4.3
757.31134	1.9
819.07990	1.2
833.32263	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.8
61.98796	1.5
71.01369	2.4
73.02954	9.0
85.02953	0.8
87.00870	0.5
89.02457	2.4
93.03447	0.4
96.96022	0.8
100.26883	0.5
101.02415	1.6
113.02402	1.3
119.03488	1.3
120.04504	0.7
122.06136	0.7
130.03006	0.7
132.04520	0.5
134.06107	3.0
148.04021	1.0
150.06787	0.5
152.07152	0.6
158.02486	2.9
160.04019	1.1
161.02496	0.6
161.04549	0.6
162.05586	0.5
176.03520	0.6
179.03493	0.5
183.06877	0.6
186.09161	0.6
190.05109	12.8
192.06694	0.7
198.09258	7.1
214.08830	1.5
216.74715	0.5
225.06775	2.5
226.07495	5.2
227.08112	1.1
229.09824	8.1
240.10278	2.0
241.09833	64.2
242.10350	2.3
283.10870	8.0
284.11276	0.5
300.11472	0.5
305.09216	0.8
309.08878	1.0
314.12421	1.3
315.13525	100.0
316.13849	3.8
323.10431	1.2
337.11993	4.7
338.12622	0.6
411.10199	0.5
470.38831	0.5
517.18317	41.4
518.19000	5.1
671.40356	1.2
801.30347	1.6
833.31207	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	833.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.8
61.98796	1.5
71.01369	2.4
73.02954	9.0
85.02953	0.8
87.00870	0.5
89.02457	2.4
93.03447	0.4
96.96022	0.8
100.26883	0.5
101.02415	1.6
113.02402	1.3
119.03488	1.3
120.04504	0.7
122.06136	0.7
130.03006	0.7
132.04520	0.5
134.06107	3.0
148.04021	1.0
150.06787	0.5
152.07152	0.6
158.02486	2.9
160.04019	1.1
161.02496	0.6
161.04549	0.6
162.05586	0.5
176.03520	0.6
179.03493	0.5
183.06877	0.6
186.09161	0.6
190.05109	12.8
192.06694	0.7
198.09258	7.1
214.08830	1.5
216.74715	0.5
225.06775	2.5
226.07495	5.2
227.08112	1.1
229.09824	8.1
240.10278	2.0
241.09833	64.2
242.10350	2.3
283.10870	8.0
284.11276	0.5
300.11472	0.5
305.09216	0.8
309.08878	1.0
314.12421	1.3
315.13525	100.0
316.13849	3.8
323.10431	1.2
337.11993	4.7
338.12622	0.6
411.10199	0.5
470.38831	0.5
517.18317	41.4
518.19000	5.1
671.40356	1.2
801.30347	1.6
833.31207	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	833.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.45771	5.3
61.98831	29.5
71.01384	18.0
75.00861	4.8
83.01463	5.8
85.02981	5.0
89.02441	6.1
98.22831	4.4
99.51749	4.3
103.81657	4.2
113.02429	7.8
113.06042	11.1
114.05621	5.0
115.00325	6.7
116.98701	6.3
118.96643	10.0
144.98215	6.9
156.99158	28.3
157.01381	12.9
157.05145	7.9
215.35081	4.9
217.00377	5.9
259.01395	6.8
277.21729	21.4
291.03998	9.4
361.04462	10.2
375.18704	11.9
397.13586	43.9
407.17563	16.5
415.14658	11.3
435.08200	21.6
453.09183	60.3
713.30676	94.0
832.63489	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	835.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.5
61.98817	3.5
69.03445	1.4
71.01385	5.7
71.44198	1.2
72.99323	1.8
73.02938	4.0
78.93949	1.0
83.01390	1.8
83.05048	1.7
85.02940	4.9
87.00880	17.6
87.04519	15.3
88.98811	1.2
89.02435	2.1
97.02953	3.2
101.02441	3.1
104.41942	0.9
109.02955	1.1
109.06623	1.6
111.08164	1.7
112.98814	2.7
113.02425	1.5
113.06094	0.9
121.02937	4.8
125.02400	1.0
130.99873	2.3
131.25752	1.1
133.02963	1.6
135.04517	3.1
135.08186	3.6
137.02496	1.4
137.06107	1.1
137.09738	16.1
139.07639	2.9
139.11214	1.2
149.00909	1.3
150.03307	1.5
151.04024	1.4
151.11240	2.1
155.10789	64.8
161.02446	1.4
161.09633	1.3
163.07587	2.0
163.11360	1.6
165.01912	2.5
167.10791	2.6
169.12338	4.7
174.05432	1.0
175.04031	1.3
177.01878	3.8
177.09218	2.1
179.03488	2.4
179.10779	5.0
180.04202	1.0
181.05067	3.1
181.08687	6.0
191.10809	5.8
193.12390	1.4
195.10251	4.2
199.09764	44.4
203.03496	2.6
210.52989	1.0
213.11385	4.2
218.05861	2.6
223.09729	2.1
225.07494	1.2
233.08141	3.7
237.11218	1.1
241.08563	1.3
241.10826	14.4
251.07095	1.2
253.10797	3.5
255.10153	2.3
255.12383	3.0
269.08255	17.6
281.08209	2.4
283.09671	3.7
283.12131	18.2
285.03973	1.4
298.12216	1.0
299.09247	9.7
300.09830	1.7
311.09274	21.1
312.09802	1.7
314.11627	22.4
314.74252	1.0
315.12296	4.3
325.10718	1.1
326.11563	17.8
327.12369	2.7
329.13937	59.3
330.14297	2.0
341.13931	31.7
343.13962	21.6
471.52481	1.0
703.29736	100.0
704.30267	11.7
713.61163	1.0
835.29858	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	60.8
61.98822	9.4
70.49628	7.2
70.49963	4.3
71.01391	26.7
85.02966	8.0
87.00887	5.3
89.02458	16.8
101.02457	19.3
106.06667	5.7
108.04524	3.6
113.02409	11.5
119.03515	8.2
122.06106	15.7
133.02946	6.9
134.06129	43.6
148.05318	60.9
150.05609	3.6
152.07162	11.0
155.10725	5.0
161.02472	3.8
163.07672	64.8
168.00516	4.6
177.01958	19.7
190.05051	4.1
198.67180	3.3
209.11842	5.3
213.10352	7.9
225.10468	5.2
237.10329	4.2
239.11850	14.6
241.13388	6.2
249.10381	7.4
251.08124	4.1
251.12004	3.6
253.09804	7.8
264.75342	4.1
265.09900	7.4
267.11124	3.1
275.09177	5.4
277.09784	11.0
278.10574	6.8
279.07635	5.6
279.11264	11.1
285.12366	11.4
291.11398	5.3
293.09283	12.8
294.10114	3.9
295.10806	8.3
307.11118	4.8
321.08792	6.2
323.98691	3.7
351.09860	4.7
356.09885	3.5
356.14041	4.6
358.15762	7.7
384.13489	6.0
398.15042	4.7
400.16638	13.5
404.51953	3.8
412.16632	4.4
509.62567	4.3
522.59546	4.2
528.99048	3.6
666.23004	16.2
680.24353	7.9
685.28949	4.3
698.26117	5.3
712.27545	13.8
727.30078	21.6
771.28876	100.0
803.31512	96.3
804.31073	6.3
808.32025	4.2
835.34076	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	33.8
61.98832	5.2
63.91817	1.1
71.01385	15.9
72.99313	1.8
73.02946	2.4
80.05048	1.9
83.01404	1.4
85.02959	5.7
87.00903	2.5
89.02457	13.1
95.01376	2.3
101.02449	9.6
106.06644	6.1
108.02163	1.5
113.02470	6.0
116.92905	1.2
119.03537	3.1
120.04587	1.4
122.06129	10.4
129.49771	1.3
131.14568	1.3
132.04579	2.2
133.03000	1.7
134.06128	26.5
134.07076	2.0
135.04547	3.4
136.07712	1.4
137.02492	1.6
150.06778	1.4
152.07176	6.4
155.10831	6.0
158.02475	1.2
160.04076	2.2
160.06479	1.5
161.02521	1.8
161.04652	1.4
169.89948	1.3
177.01967	3.2
177.64009	1.5
179.03546	1.3
188.07227	2.1
190.05191	3.8
211.08939	1.3
213.10312	6.8
223.08730	1.3
225.10352	2.8
227.11920	2.5
232.44591	1.2
237.10411	1.8
239.11916	4.7
241.13448	3.4
249.10399	1.9
250.07504	1.7
251.08202	2.7
251.11974	1.5
252.09059	2.0
253.09746	3.7
261.10370	1.6
263.08264	2.4
264.09113	2.7
265.09952	3.7
267.11383	3.4
275.83524	1.3
277.09802	4.1
278.07214	1.5
278.10608	4.2
279.07675	5.1
279.11331	6.1
285.12479	10.0
291.07666	1.6
291.11243	1.6
292.08640	2.0
292.11749	1.6
293.09363	10.2
293.12579	2.6
294.09930	2.8
295.10864	6.4
305.09314	2.3
306.10089	1.5
307.10876	6.9
309.12534	1.8
321.08942	3.1
333.08530	1.6
339.09863	4.9
340.14285	1.7
351.09891	5.0
358.15546	3.6
370.11658	1.7
385.13913	1.4
398.15002	1.7
400.16486	4.4
412.16653	2.7
486.16647	2.5
517.18140	2.9
620.22278	3.4
638.23877	8.0
648.22058	3.4
649.23016	2.4
666.23071	27.9
673.41333	2.7
680.25677	1.8
698.25946	1.7
703.29468	3.1
712.26776	6.6
727.30396	6.9
771.28845	34.9
772.29510	2.5
803.31494	100.0
804.31445	7.5
835.33478	22.5
836.34900	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	30.3
61.98831	10.3
67.12723	1.1
69.56203	5.7
71.01390	17.3
73.02951	1.4
80.05040	1.9
85.02966	4.6
89.02450	14.5
95.01406	1.3
101.02440	9.4
104.05038	1.4
106.06613	4.6
113.02444	4.8
119.03510	3.5
122.06110	10.7
132.04538	1.3
134.06136	24.9
152.07196	6.6
177.01904	1.4
188.07143	2.1
190.05162	1.8
211.08685	2.4
213.10336	4.9
223.08763	1.6
225.10385	3.8
226.11073	1.4
227.11896	1.6
235.08768	1.7
237.10306	2.3
238.07420	1.4
239.08037	1.3
239.11925	7.8
241.13451	4.7
249.10355	2.6
250.07390	1.5
251.08275	3.5
251.11971	1.8
252.09180	1.6
253.09848	4.7
263.08249	4.8
264.09027	2.0
265.09821	3.8
267.11444	4.3
277.09766	5.7
278.07062	2.7
278.10608	5.8
279.07748	3.8
279.11389	8.0
285.12445	10.3
292.08633	2.5
293.09314	12.0
293.12534	2.5
294.09988	2.6
295.10956	6.2
305.09341	3.2
306.10098	1.7
307.11008	5.9
309.12375	2.2
314.12631	1.8
321.08786	3.1
333.08762	1.5
337.08261	1.9
337.12119	2.2
339.09872	2.9
351.09814	4.0
358.15506	2.6
384.13510	2.6
398.15189	2.2
400.16656	6.7
401.28793	1.3
410.14670	1.6
412.16769	3.3
425.17587	1.7
440.15863	1.5
458.17114	2.2
468.15695	1.6
486.16797	2.9
620.22534	4.0
638.23865	5.4
648.21912	3.3
649.22290	2.5
666.23096	30.4
680.24249	3.6
698.24695	1.6
712.27686	8.9
727.30249	7.1
771.28949	52.8
772.29016	4.5
788.46179	1.6
803.31519	100.0
804.32129	10.8
835.34131	19.3
836.32239	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	46.8
60.17945	2.0
61.98835	4.3
71.01384	19.0
72.99319	3.1
80.05057	2.3
85.02959	4.9
89.02453	11.5
98.37871	2.3
101.02444	9.4
104.05047	3.0
106.06630	7.1
106.61166	2.6
113.02468	5.4
119.03481	4.5
122.06121	6.8
134.06136	29.1
146.06163	3.3
152.07176	7.2
155.71689	2.2
177.01822	2.5
180.06537	3.1
188.07202	3.1
211.08696	2.3
213.10283	7.8
225.10338	5.4
237.10466	3.9
239.11934	5.7
249.10292	4.1
251.08234	5.5
251.11879	3.0
252.09038	4.6
253.09818	5.0
263.08417	4.3
264.08981	2.7
265.09793	7.2
267.11325	4.7
269.04550	4.8
277.09930	5.6
278.06943	8.2
278.10385	3.4
279.07733	8.4
279.11337	8.4
285.12512	6.6
292.08530	2.6
293.09332	25.4
294.09933	6.8
295.10974	5.6
305.09412	2.8
306.10126	3.5
307.10916	8.4
309.12616	3.9
323.10208	2.9
337.08234	7.6
351.09415	3.6
458.17722	3.0
486.16736	6.4
491.12488	2.8
587.00061	2.5
620.22650	4.7
638.23651	6.7
649.22778	2.8
665.23114	3.1
666.23059	37.6
667.22845	3.9
680.24701	16.4
684.01617	2.5
698.25623	3.1
712.27350	49.1
713.27576	5.3
727.29846	6.4
771.28864	43.1
803.31470	100.0
804.31873	13.4
835.33905	29.8
836.34656	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	835.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87039	4.3
59.01383	39.1
61.98830	13.2
70.33614	10.5
71.01400	30.9
73.02966	6.5
85.02963	14.7
85.75170	4.5
89.02450	12.1
101.02460	23.0
113.02459	13.1
116.92887	11.8
125.32807	5.4
129.17877	5.4
134.06145	14.1
137.72594	4.8
141.76981	5.3
151.03973	6.1
201.01845	5.1
269.04538	6.9
295.10510	4.8
473.36130	7.7
474.45618	6.0
550.41956	5.6
666.23053	9.7
712.27087	14.9
771.29303	18.1
799.48444	100.0
803.31372	26.2
835.33209	12.9
835.46606	89.4
836.46326	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	836.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.7
59.36296	0.5
61.98829	0.6
65.08475	0.5
71.01388	3.1
71.05033	3.5
73.02934	0.7
85.02945	0.8
89.02457	4.0
98.21921	2.0
101.02441	2.5
113.02451	1.6
119.03528	1.8
125.02412	1.2
131.03542	0.7
158.69962	0.6
161.04582	1.0
179.05577	3.5
221.06613	0.6
323.09763	2.8
351.26828	0.8
423.32669	2.6
467.32187	0.6
469.33255	100.0
470.33685	5.6
534.26917	0.6
767.16498	0.6
780.16187	0.7
793.43958	5.6
798.22272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.06033	1.5
70.25312	4.2
71.07642	1.6
80.96514	2.5
88.69595	1.7
144.34457	1.6
228.64267	1.6
248.92627	2.1
473.90192	1.9
646.23242	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	837.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.0
58.45781	0.6
59.01388	33.1
69.03456	8.5
69.59635	0.7
71.01391	18.3
71.03069	1.2
73.02936	1.5
83.01392	2.1
83.05019	0.8
85.02970	7.0
87.00883	5.2
87.04522	2.9
89.02453	19.1
90.18998	0.7
95.01392	1.3
97.02899	0.8
99.00870	1.5
99.04514	0.7
101.02454	14.3
108.02175	3.3
109.02981	1.4
113.02464	28.1
115.04079	1.2
119.03531	8.7
123.00631	1.5
131.03532	15.0
133.05109	1.8
137.02303	0.9
152.01152	2.2
153.01730	20.9
168.43172	0.7
184.29268	0.7
196.38164	0.6
197.00864	1.1
213.03809	2.0
225.03833	1.6
275.07779	1.7
285.06253	6.0
293.08823	100.0
294.09235	3.1
315.07004	26.8
316.07248	0.7
331.62335	0.7
407.11981	51.5
408.12543	1.1
497.44287	0.7
516.60052	0.7
609.15521	3.3
723.19592	2.3
837.22821	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	837.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.3
59.01385	33.1
65.66018	0.6
69.03468	7.6
69.67770	2.1
71.01389	18.3
72.99298	0.7
73.02938	1.0
83.01405	2.2
85.02964	6.4
87.00875	5.5
87.04518	2.8
89.02449	17.7
94.01842	0.6
95.01414	1.0
98.22630	0.8
99.00915	1.2
99.04538	1.1
101.02454	13.9
104.85330	0.6
108.02180	6.3
109.02954	2.3
113.02461	21.7
115.03991	0.6
119.03510	7.8
123.00618	1.6
124.98599	0.8
125.02355	0.8
131.03519	13.0
133.05080	2.2
137.02243	0.9
141.01643	0.8
143.03476	1.2
151.03769	0.7
152.01151	5.3
153.01736	19.9
197.00635	0.8
213.03857	1.8
225.03839	1.5
275.07739	1.4
285.06204	10.7
293.08810	100.0
294.09180	1.8
315.07019	26.7
407.12003	52.5
408.12265	1.6
523.32172	0.6
589.68842	0.8
609.15826	2.8
639.98840	0.7
723.19849	2.4
837.22791	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	54.6
61.98828	18.7
71.01386	36.4
73.02934	10.9
81.27663	4.2
83.01381	5.9
85.02956	11.4
87.00904	5.0
88.98769	4.6
89.02463	21.0
93.03501	5.2
100.49121	5.3
101.02451	19.3
102.37803	4.7
104.05067	12.2
106.06625	12.8
108.04559	16.2
113.02466	9.6
119.03507	8.1
120.04498	5.1
121.02912	4.7
122.06130	16.2
124.04077	10.8
125.02442	6.6
132.04562	95.2
133.02951	12.5
134.03824	6.6
134.06134	87.6
135.04547	43.9
136.01669	9.5
136.04002	7.1
136.07684	8.8
137.06071	8.6
138.05627	18.7
148.04102	5.7
150.05585	18.3
151.04021	16.5
152.07166	16.6
155.28973	4.5
158.06175	10.5
160.04094	7.4
161.02483	33.0
162.05588	4.8
164.03546	20.0
166.05099	7.2
167.03415	5.3
176.03583	30.7
179.03519	31.5
180.06709	8.4
188.03523	18.7
190.05063	12.3
208.06081	5.0
227.12126	4.8
229.09784	8.2
241.09810	15.0
251.11938	8.0
255.11491	10.3
257.13007	10.3
269.04544	6.8
279.11423	45.9
283.10834	15.5
285.04233	5.8
295.10989	10.4
297.12421	10.0
301.12112	5.3
314.12451	7.3
323.10507	31.0
343.12994	7.7
357.13531	7.4
431.18362	4.6
435.17694	10.3
459.17841	30.5
460.19672	4.8
477.18695	16.7
503.10336	8.5
503.17239	100.0
516.74744	4.6
517.18573	5.7
535.19550	57.8
624.21741	15.3
647.44678	4.8
668.20996	40.5
669.21094	11.8
682.23761	6.3
700.23615	26.8
701.24896	24.2
743.29132	23.6
761.30200	29.8
787.28540	34.2
796.85211	4.8
805.29364	16.0
819.30927	12.7
848.50305	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	837.321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.2
59.70816	0.8
68.25261	1.0
69.10312	1.9
69.10722	4.6
71.01392	7.5
73.34090	0.7
77.04493	0.8
80.05070	1.6
85.02965	1.3
89.02435	6.9
94.02986	1.3
95.01371	0.9
98.22755	1.4
99.00894	0.8
101.02428	5.1
106.06642	2.8
108.04557	2.4
108.41251	0.8
113.02464	4.1
119.03535	2.4
120.04545	1.0
120.08187	1.3
122.06130	3.9
124.04058	3.1
125.02421	0.8
132.04572	1.9
134.06125	13.9
136.04016	3.3
137.04837	1.2
138.05611	3.0
138.38579	0.8
147.05608	1.1
148.04039	0.9
148.07672	0.9
150.05644	4.1
152.07176	2.9
160.04065	0.9
162.05667	1.1
168.06619	1.5
182.19875	0.8
190.05063	2.3
201.10371	9.4
213.10316	4.2
227.11922	3.0
229.09821	10.7
229.13490	3.5
237.10138	1.3
239.11960	3.6
241.09837	1.6
255.11406	2.5
257.13028	1.7
265.09729	2.1
267.11166	1.7
269.04648	1.0
273.12515	1.6
277.09741	1.0
279.11411	1.3
289.11707	1.8
295.10855	1.2
301.11905	7.9
305.09387	1.5
314.12982	1.0
319.12988	20.2
327.13315	0.9
337.11722	1.8
342.12146	1.0
348.16849	0.9
359.12503	1.3
372.13480	1.7
374.15057	3.0
386.15402	1.3
391.15448	1.0
392.16241	2.3
406.17554	1.1
416.16068	2.8
418.13815	2.2
428.16058	1.4
428.94330	0.9
429.75098	0.9
432.15665	2.0
434.17102	3.1
446.17218	3.2
475.17392	1.5
517.18677	1.5
539.23114	1.0
578.70392	1.0
625.23376	1.0
761.30542	4.1
787.28333	1.7
805.29443	100.0
806.30023	8.9
837.32098	26.9
838.31897	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	839.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
61.98838	7.8
71.01384	5.1
73.02945	0.9
75.51176	0.6
81.03456	1.6
83.01363	1.3
85.02960	1.8
85.06586	4.5
88.98803	1.1
89.02482	0.7
91.01925	0.8
95.01358	1.0
97.34689	0.8
100.58606	0.7
101.02444	3.0
103.78333	0.7
106.04238	0.9
107.01389	3.2
108.02170	4.7
109.02960	15.0
113.02438	2.6
113.06095	3.6
115.04034	1.5
123.00826	1.1
123.04540	6.2
124.01748	0.7
125.02422	2.5
133.02975	5.3
134.03754	75.6
135.04530	0.8
135.67288	0.8
137.02444	5.4
139.03995	3.4
147.04535	1.6
149.06099	18.4
150.03200	1.0
151.00336	3.9
152.01190	7.8
153.01949	28.8
157.05026	0.9
160.01680	2.4
165.05661	0.8
166.02715	1.4
167.03503	22.0
168.03835	0.7
175.04073	4.3
175.63206	0.7
176.04770	2.6
177.01965	2.3
178.02721	34.0
179.03174	0.9
191.07161	3.2
192.04277	15.0
193.05075	55.1
194.05402	1.1
195.02994	1.4
207.06630	9.8
209.04536	0.8
212.41650	0.7
235.06088	3.3
296.05475	2.7
297.06210	16.4
311.07748	31.4
312.07895	1.2
320.32028	1.0
505.13550	100.0
506.14130	7.3
519.15265	8.3
519.22858	1.1
538.44977	0.9
547.14960	3.5
609.82141	0.7
709.19867	1.1
838.63928	0.9
839.25903	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	839.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.7
61.98837	2.7
65.00346	1.3
66.43776	0.5
72.80465	0.5
87.76628	0.6
93.03484	2.2
95.14695	0.5
98.22635	1.4
107.01416	1.3
109.02915	0.7
117.03499	0.9
133.02982	0.9
135.00934	0.9
135.04550	1.1
137.02466	1.1
151.00374	3.6
153.01953	0.7
159.04543	1.2
161.02406	0.5
163.00404	1.6
165.01930	0.6
169.01442	0.6
169.06635	1.5
183.04500	2.9
185.06088	1.8
187.03998	1.0
189.05643	1.3
197.06110	0.7
199.04021	0.8
211.04012	2.9
213.05609	1.6
227.03525	17.2
229.05054	4.0
239.03555	0.9
241.05144	1.0
253.05342	0.6
255.03015	54.7
256.03644	4.4
257.04630	2.9
269.04626	0.7
281.04562	1.1
283.02505	59.8
284.03284	43.5
285.04068	93.3
286.04443	3.5
297.04193	0.8
298.04950	0.8
326.04379	0.7
327.05432	2.8
400.64429	0.7
437.08377	0.6
447.09399	7.1
530.14398	2.3
531.15302	5.5
593.15161	100.0
594.15411	5.5
635.15887	0.7
685.90668	0.7
714.77417	0.6
839.26117	13.1
840.26697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.7
61.98837	2.7
65.00346	1.3
66.43776	0.5
72.80465	0.5
87.76628	0.6
93.03484	2.2
95.14695	0.5
98.22635	1.4
107.01416	1.3
109.02915	0.7
117.03499	0.9
133.02982	0.9
135.00934	0.9
135.04550	1.1
137.02466	1.1
151.00374	3.6
153.01953	0.7
159.04543	1.2
161.02406	0.5
163.00404	1.6
165.01930	0.6
169.01442	0.6
169.06635	1.5
183.04500	2.9
185.06088	1.8
187.03998	1.0
189.05643	1.3
197.06110	0.7
199.04021	0.8
211.04012	2.9
213.05609	1.6
227.03525	17.2
229.05054	4.0
239.03555	0.9
241.05144	1.0
253.05342	0.6
255.03015	54.7
256.03644	4.4
257.04630	2.9
269.04626	0.7
281.04562	1.1
283.02505	59.8
284.03284	43.5
285.04068	93.3
286.04443	3.5
297.04193	0.8
298.04950	0.8
326.04379	0.7
327.05432	2.8
400.64429	0.7
437.08377	0.6
447.09399	7.1
530.14398	2.3
531.15302	5.5
593.15161	100.0
594.15411	5.5
635.15887	0.7
685.90668	0.7
714.77417	0.6
839.26117	13.1
840.26697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	60.4
61.98824	3.7
69.45623	10.3
71.01386	29.3
85.02955	7.2
87.00872	3.0
89.02463	23.4
94.02995	38.1
94.06627	2.8
95.01347	3.7
96.96010	8.7
101.02467	18.2
106.06609	7.2
113.02441	11.5
119.03508	9.2
120.08195	19.6
122.06103	7.3
126.06023	3.0
134.03790	2.7
134.06140	49.3
138.05638	15.1
150.05666	4.3
151.03987	3.1
151.91737	2.5
152.07179	8.4
153.01927	2.6
167.03481	2.8
190.05211	3.6
193.05017	6.2
215.11949	3.3
223.08727	9.1
225.10339	3.6
227.11833	3.3
235.12181	2.8
237.10323	11.9
238.11111	5.5
239.11897	18.9
251.08249	6.4
251.11850	12.1
263.08237	3.4
263.11807	3.0
264.09055	12.8
265.09796	11.5
269.04498	5.3
277.09933	7.4
278.10605	4.5
279.11444	36.0
280.11911	4.4
291.11441	7.5
292.12003	3.4
305.09464	3.3
314.12421	5.9
354.12534	2.7
357.13470	5.0
384.17151	11.9
386.18674	8.7
402.18130	3.4
426.18216	4.6
505.13202	3.7
524.50757	3.2
564.23718	8.2
572.86401	3.1
606.24030	6.8
610.23999	6.3
650.23633	13.4
651.23596	4.4
682.26526	13.3
703.29840	7.5
721.30255	3.2
747.28748	14.2
779.31665	59.2
780.32104	4.7
789.29486	13.1
807.31030	27.9
821.32648	32.8
839.33563	100.0
840.33649	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	839.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	43.7
70.74006	2.2
71.01388	23.9
73.02938	1.9
80.05040	1.4
82.02962	1.4
83.01398	2.1
85.02952	5.2
87.00861	1.7
89.02450	17.7
94.02998	26.2
94.06615	1.3
95.01402	1.5
96.04549	1.3
101.02444	9.7
105.05838	1.5
106.06635	8.1
108.04524	1.4
113.02460	8.2
119.03496	5.1
120.08205	21.9
122.06151	6.3
129.82436	1.1
132.04623	2.5
134.06142	31.7
137.04903	1.7
138.05632	9.2
150.05606	2.7
152.07176	7.7
158.02495	1.7
162.82788	1.1
190.05099	6.4
207.72565	1.1
221.10844	1.6
223.08734	4.9
224.09601	2.2
225.10452	1.7
236.09544	2.6
236.76280	1.2
237.10370	5.8
238.10982	3.0
239.11920	10.2
241.13359	1.4
249.06700	2.8
249.10356	2.7
251.08226	4.3
251.11847	7.7
252.08975	1.1
263.08215	6.3
263.11807	2.2
264.09045	12.9
264.11990	1.3
264.12476	1.0
265.09753	6.9
269.12839	1.3
276.09036	3.3
277.09836	10.0
278.10501	5.2
279.11417	30.2
280.12057	7.2
281.12991	2.2
291.11420	11.5
292.12207	5.8
293.12936	3.6
301.11853	1.2
303.13467	1.1
305.09369	3.9
307.10965	1.8
311.13852	1.2
314.12463	3.6
323.10202	4.6
324.11075	5.7
325.11874	2.2
337.11823	3.3
338.12466	1.4
370.15591	2.4
372.17285	1.9
376.16467	2.2
384.17053	3.2
388.16528	1.8
401.20764	2.3
412.16531	1.6
418.21713	2.6
426.18356	2.8
430.17789	2.7
443.18710	1.6
444.19257	4.6
459.17850	2.1
462.20285	4.0
470.17181	1.4
471.18155	4.2
471.52362	1.3
472.18835	6.4
473.19583	4.0
488.18030	1.9
489.18716	1.6
490.19809	11.2
606.24426	3.2
623.24255	2.3
634.23566	1.7
650.23785	9.2
651.24475	7.7
682.26526	19.7
720.29913	1.2
747.28894	27.0
748.29077	2.9
779.31488	37.6
780.31488	3.7
789.29938	18.1
807.31000	100.0
808.31036	8.1
821.32568	15.3
822.32593	1.8
839.33557	50.2
840.34528	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08885	0.5
69.35200	2.4
74.32062	0.5
83.05025	0.8
87.45429	0.5
93.03447	2.3
95.05064	0.6
108.02150	0.6
111.62699	0.5
117.03458	1.2
121.02967	16.5
122.03775	8.3
132.02220	0.8
133.02946	2.0
134.03757	64.8
135.04578	3.6
136.07701	0.7
137.02438	3.7
139.04033	1.1
148.01709	0.6
149.02463	23.2
149.06093	14.0
150.03244	63.7
151.03583	1.1
164.04816	5.4
165.05588	63.4
166.05861	0.9
175.04041	0.6
178.02734	29.5
179.03276	0.6
180.04303	3.9
193.05081	100.0
194.05412	2.4
195.06644	45.0
196.06950	1.0
206.86829	0.5
221.06050	1.1
222.06952	0.5
223.07634	0.9
225.16028	0.8
233.06137	1.4
234.06902	1.6
235.07733	1.0
238.06361	0.7
239.07169	3.4
249.05713	0.7
250.06352	5.0
251.90059	0.5
253.08786	1.8
254.09555	1.5
257.26154	0.4
265.08749	1.2
267.06683	3.8
269.26288	0.5
282.08984	15.4
283.09332	0.8
294.05103	0.7
297.11337	1.4
326.07910	1.0
341.10318	55.3
342.10693	2.2
389.12454	33.8
390.12808	1.5
401.94113	0.6
433.31985	0.6
451.32980	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	841.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60072	73.9
69.60442	100.0
70.60056	45.1
84.71227	43.7
85.01730	41.5
85.79978	47.2
137.68994	49.7
233.01196	44.4
244.99736	41.3
277.21738	87.0
312.14865	41.4
389.95889	49.8
560.06226	45.2
655.98895	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
60.80929	0.3
61.98835	1.8
63.02425	0.3
65.00325	0.4
65.88442	0.4
69.11625	0.8
69.12044	1.7
75.09377	0.4
79.63906	0.4
83.01385	0.4
93.03455	1.2
96.95969	0.4
99.69931	0.3
101.02492	0.4
107.01393	1.0
109.02937	0.5
117.03462	0.7
125.02432	0.6
130.04178	0.4
133.03008	0.5
136.01633	0.7
137.02451	1.0
143.05006	0.5
151.00452	1.6
159.04497	0.5
161.02542	0.5
165.01901	0.5
169.06624	0.5
171.04443	0.4
172.42326	0.3
179.05376	0.3
182.03716	0.4
183.04559	1.2
185.06050	0.4
187.04001	0.5
195.04742	0.3
203.07210	0.4
207.61136	0.4
211.04025	1.1
213.05655	0.5
214.02568	0.4
215.03566	0.4
227.03523	29.0
228.03990	1.1
229.05058	0.8
239.03447	0.4
255.03008	42.4
256.03629	4.7
283.02518	12.8
284.03296	42.0
285.04062	68.0
286.04419	2.7
299.05817	0.5
327.04977	0.9
431.09857	100.0
432.10263	4.9
465.26785	0.4
581.14429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98837	100.0
84.77892	0.2
89.02496	0.2
95.61220	0.2
96.96047	0.3
117.03580	0.2
126.76719	0.2
135.04533	0.3
151.00386	0.3
161.02478	0.6
161.08195	0.2
165.01917	0.2
165.05687	0.2
182.91930	0.3
190.00826	0.2
191.05721	0.4
195.06625	0.3
200.76221	0.2
225.07863	0.3
227.03523	5.2
227.05647	0.3
227.08321	0.2
228.03876	0.3
255.03004	7.4
256.03625	1.0
269.04651	0.2
277.70395	0.2
283.02542	2.3
284.03308	9.5
285.04065	11.0
286.04474	0.5
323.88245	0.2
327.05228	0.4
473.10925	25.1
474.11371	1.7
580.54523	0.2
593.15222	0.5
778.05585	0.2
781.22119	1.3
782.22601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
65.00322	0.6
72.99316	0.3
85.71411	0.3
96.96007	0.9
103.36628	0.5
107.01408	0.5
119.04977	0.4
133.02963	2.8
135.04526	0.4
147.04480	2.9
148.68477	0.4
149.02464	1.2
151.00410	2.6
161.02484	0.6
165.05574	2.6
175.04028	1.1
177.02048	0.5
199.04047	1.2
207.06633	1.1
215.03571	0.5
217.05104	1.0
241.05069	0.9
243.03120	0.4
249.43494	0.4
256.03824	0.8
284.03275	12.8
285.04059	100.0
286.04343	4.3
297.04135	0.4
311.07547	0.4
327.05118	0.7
593.15179	82.5
594.15503	7.5
828.32599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	75.1
61.47797	2.9
69.03462	12.4
71.01390	62.6
73.02950	5.3
83.01381	3.9
83.05027	25.0
85.02962	11.7
87.00882	9.6
87.04530	6.6
89.02450	64.8
93.03462	3.0
95.01403	4.0
99.04564	3.2
101.02443	40.5
111.00941	4.4
111.04523	20.8
112.01672	13.9
113.02465	61.0
119.03487	26.5
123.04524	4.7
125.02396	3.7
127.03979	6.9
131.03511	25.9
133.05070	4.1
137.02478	8.7
143.03545	5.6
149.93253	2.9
155.03543	9.2
161.04570	12.9
173.04604	5.3
179.05663	47.5
267.55988	3.0
275.07736	94.9
293.08807	100.0
306.36398	3.3
317.08850	34.7
347.09561	13.7
377.10834	11.0
395.11725	11.8
533.52692	3.3
551.16107	24.1
569.17200	24.5
593.16620	4.0
845.26086	10.9
847.04077	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	845.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	31.1
69.03460	3.9
70.58169	0.9
71.01390	18.3
73.02953	1.5
83.01387	1.5
83.05034	1.8
85.02962	3.9
85.19513	0.5
87.00883	3.6
87.04514	0.8
89.02454	16.2
90.33482	0.4
95.01413	1.2
101.02451	13.3
109.02986	0.4
111.04547	2.3
112.01701	0.5
113.02467	17.3
119.03519	7.7
119.04984	0.4
123.04554	0.7
131.03540	4.8
133.05069	1.6
137.02509	1.1
143.03487	1.2
155.03491	0.5
159.66875	0.5
161.04628	0.7
179.05661	3.0
191.03535	2.5
203.05493	0.6
221.84183	0.5
275.07700	3.3
293.08817	100.0
294.09125	1.9
296.26273	0.5
317.08746	7.6
335.09845	0.8
347.09836	2.9
365.11197	0.6
377.10825	1.6
395.12036	2.6
551.16071	0.6
633.02502	0.5
860.96936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	87.9
61.23421	2.0
64.76810	1.9
64.79588	1.9
65.17294	1.8
69.03460	25.6
69.51557	7.3
69.51921	3.8
71.01390	43.1
72.99343	2.4
73.02546	1.9
73.02924	4.5
81.03474	2.7
83.01405	3.1
83.05035	13.9
85.02970	14.7
87.00897	13.8
87.04530	4.8
89.02453	38.3
95.01414	3.9
95.05029	2.9
96.10284	1.9
97.30228	2.0
98.22630	3.8
101.02444	36.7
111.00857	2.9
111.04541	9.8
112.01698	7.2
113.02465	73.1
119.03517	19.4
123.04506	3.3
130.02696	2.2
131.03554	17.3
133.05066	6.0
137.02417	3.0
155.03523	5.5
161.04506	2.6
179.05643	2.1
179.35963	2.2
185.04845	2.1
186.82442	2.5
191.05571	3.7
202.55455	1.8
211.07816	2.1
254.62904	1.9
258.88449	1.9
267.61322	1.9
275.07758	16.8
289.42041	2.2
293.08826	78.2
317.08606	5.0
389.10815	2.9
551.16162	4.6
569.17157	24.9
716.58588	2.3
845.25775	100.0
846.27124	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	845.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.7
61.66909	1.3
61.98840	6.8
71.01387	7.6
73.02943	30.0
76.40575	1.3
81.03436	2.0
82.95429	1.7
83.01382	8.0
85.02926	2.0
88.98807	1.7
93.03455	3.4
96.96024	10.3
97.02953	1.4
98.95582	1.7
99.00892	5.8
101.02430	7.9
107.05044	3.2
108.02141	2.6
109.02940	17.3
109.06594	5.1
116.92803	2.2
117.03390	2.1
119.05039	9.6
121.02950	28.6
122.03717	2.6
123.04536	2.0
125.02457	3.0
133.02959	5.1
134.03712	3.8
135.04532	53.3
136.01657	33.9
136.05350	1.3
137.02438	2.8
137.06090	44.4
137.87273	1.3
142.38499	1.4
148.05339	1.8
149.06094	17.9
150.03125	1.8
151.04008	26.3
161.02480	10.7
161.06105	2.5
162.03192	3.0
162.26256	1.6
163.04004	11.4
175.04027	2.0
176.01103	2.5
177.05580	27.1
179.03416	2.6
181.05070	99.8
189.05486	1.6
193.05019	3.5
195.06572	3.3
197.04469	3.1
205.05048	5.4
221.04576	10.6
222.05379	8.8
223.06114	73.6
224.06525	2.5
265.04581	2.7
265.07169	37.4
269.04416	2.1
274.32764	1.8
313.10733	1.6
325.09283	100.0
326.09601	5.1
327.12665	1.8
343.10550	3.1
351.05960	1.6
357.13361	2.8
371.93457	1.4
385.11276	4.9
477.14899	1.7
487.14502	25.2
488.14612	1.8
554.33661	1.5
643.60779	1.6
683.23419	68.0
684.24115	8.3
760.31860	1.8
845.28833	6.2
846.29559	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	845.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.4
61.98837	5.2
67.46163	0.8
69.03442	2.4
71.01383	18.1
71.40511	0.8
72.99330	1.0
73.02950	7.5
77.73186	0.8
81.03418	1.0
83.01394	2.5
83.05016	1.3
85.02959	12.6
86.98367	0.9
87.00888	2.1
87.04518	16.6
89.02449	1.3
95.01367	1.7
96.96038	1.4
97.02956	5.6
97.06580	1.6
98.21844	2.7
99.00883	3.5
99.04503	1.4
99.20078	0.9
101.02440	12.2
108.02149	1.9
109.02934	1.7
111.04530	1.6
111.08176	1.2
113.02451	11.8
114.03207	1.0
121.02949	3.6
122.03709	2.1
125.02431	8.8
125.06062	1.4
133.02950	1.2
135.04535	1.4
135.08191	4.2
136.01665	67.7
137.02411	2.7
137.06104	1.0
137.09724	22.9
139.07617	2.5
139.11272	2.4
141.09219	0.9
143.03520	2.0
149.06046	1.0
149.09796	1.0
151.04013	75.6
151.11255	1.4
152.04333	1.0
155.10783	100.0
156.11143	1.4
159.02994	1.0
159.04437	1.4
160.05272	1.3
161.02477	2.1
161.04527	7.9
162.03142	1.1
163.07718	1.0
163.11234	1.2
167.03436	1.7
167.10716	1.2
169.12350	5.9
175.04034	1.1
175.07690	1.1
176.04767	1.1
177.01891	4.2
177.05626	1.0
179.03435	1.9
179.10791	5.4
181.08705	9.5
181.12248	1.1
181.87260	0.9
184.06659	0.9
191.07146	1.0
191.10797	3.0
193.12350	1.2
195.06648	1.0
195.10234	3.3
197.11952	1.0
199.09766	65.0
209.11565	1.0
213.11325	6.6
224.56239	0.9
237.11398	1.2
241.10803	26.3
253.10828	6.0
255.12392	3.3
269.04556	1.1
276.40512	0.9
283.11884	18.7
325.12964	7.0
327.12372	7.8
334.78943	1.1
341.13925	1.8
342.11111	3.9
343.14111	32.5
357.13416	96.3
358.13651	2.9
367.13998	2.3
385.14993	7.4
399.14539	2.9
427.16132	2.1
439.16028	1.1
487.18216	6.4
666.36914	1.2
683.26880	9.4
701.28162	29.9
702.28442	1.6
743.28992	2.1
845.32056	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	845.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.6
61.98834	24.8
71.01394	22.6
73.02943	9.3
79.92375	2.8
83.01390	6.7
85.02959	10.4
88.60370	3.2
89.02455	7.0
95.01386	3.4
98.21806	6.7
101.02424	19.6
106.11688	2.9
113.02467	12.5
119.17793	3.1
122.77084	2.8
137.90367	3.2
149.41016	3.1
150.11484	3.5
161.04533	6.6
198.12410	3.0
248.58354	3.4
465.26022	3.2
485.32834	13.3
647.37903	16.4
809.43359	100.0
810.43549	11.9
845.41370	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12840	0.4
69.13239	0.3
69.16958	0.1
72.86948	0.1
75.30497	0.1
79.05563	0.2
87.94096	0.1
95.85037	0.1
103.01876	0.1
104.02682	0.5
104.93030	0.1
107.05029	0.8
111.50732	0.1
117.03429	0.1
118.04249	0.1
130.04205	0.1
133.02968	0.2
145.02934	0.5
148.01663	0.7
154.80208	0.1
155.08675	0.8
156.05846	0.2
161.02438	0.6
162.03221	0.4
170.07358	0.1
171.08177	1.8
173.06050	0.3
176.01234	0.2
181.06577	0.5
183.04448	0.3
184.05200	0.1
185.06104	0.1
187.07663	1.4
189.01927	1.3
190.02731	2.1
193.01506	0.1
197.06068	0.5
198.06853	0.4
199.07651	5.8
200.04715	0.2
200.08055	0.3
201.02065	0.5
201.05530	0.4
203.03464	0.3
204.04234	0.2
215.07133	1.8
222.01683	0.5
225.05649	0.5
226.06195	0.1
227.07071	0.3
228.04288	0.2
229.05099	0.5
240.15163	0.6
243.06625	64.4
244.07143	4.1
245.07860	0.2
246.02287	0.1
256.14731	0.2
257.08228	0.3
258.09030	0.7
259.06454	0.1
269.08182	0.2
276.06454	0.2
284.14243	0.3
297.11340	0.2
311.12872	0.3
312.13693	34.2
313.14050	2.1
327.16025	100.0
328.16364	4.9
328.19534	0.1
343.53262	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
61.98837	100.0
63.03695	4.2
71.01390	5.0
73.02945	4.6
74.93714	3.6
80.85811	3.9
86.55499	3.6
93.92255	3.5
94.98332	3.6
134.06131	10.2
151.60922	3.7
158.90974	4.1
182.86943	4.2
189.66478	5.7
248.76584	4.6
340.14722	6.0
538.58331	5.0
753.28265	29.3
785.30432	67.2
786.31812	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	849.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
81.03479	0.8
83.05031	37.8
107.47868	0.5
109.06631	2.8
111.04527	1.8
123.08132	0.6
123.38491	0.4
125.06046	0.5
133.06622	1.0
135.04465	0.5
135.08197	2.7
147.08240	2.4
147.09216	0.5
149.09755	0.9
151.07639	2.2
153.05586	13.7
163.11327	0.9
169.10217	1.3
171.08180	1.0
175.11253	0.5
187.11304	9.7
190.10066	0.9
205.12357	8.7
235.13419	10.9
289.19183	0.5
292.60175	0.5
297.13452	100.0
298.13751	2.2
310.54102	0.5
317.08893	0.6
322.84409	0.5
352.68188	0.5
352.92923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
60.03883	0.3
61.98835	100.0
69.73660	0.7
69.74017	0.6
71.01393	1.2
73.02936	0.3
85.02971	0.3
93.29906	0.4
101.02476	0.7
106.06646	0.7
113.02456	0.7
118.83167	0.4
122.06168	1.2
134.06140	3.5
152.07204	0.6
190.05151	0.6
194.74220	0.3
221.10834	0.6
237.10677	0.4
239.11974	0.3
249.10431	0.4
264.08994	0.5
265.09808	0.6
277.09933	0.8
279.11395	1.5
291.11407	0.7
295.10876	0.3
305.09201	1.5
337.11996	0.5
342.16342	0.7
379.98779	0.3
470.17532	0.5
472.18988	0.5
632.22681	1.0
664.25079	10.6
664.36108	0.5
665.25848	0.8
713.28925	0.4
755.29541	3.5
787.17535	0.5
787.31934	11.1
788.32928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	14.5
71.01388	43.6
72.04272	3.0
73.02956	16.7
83.01392	7.7
85.02969	26.1
87.00871	2.8
89.02462	7.4
95.01360	3.2
96.96011	2.9
99.00879	3.2
101.02463	27.9
113.02459	21.4
131.35397	2.8
153.93661	2.7
161.04561	12.1
189.96422	2.4
199.08662	2.7
211.86636	2.6
221.73300	3.6
374.16733	3.4
453.73300	3.3
485.32828	13.9
647.38208	24.3
809.43384	100.0
810.43591	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	853.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	5.7
71.01388	18.2
71.40168	0.5
73.02952	0.9
80.31712	0.6
83.01394	2.5
85.02956	5.8
87.00894	5.8
87.04533	2.2
89.02453	17.5
95.01408	2.1
99.04527	0.7
101.02460	14.8
113.02466	24.3
114.02861	0.5
119.03519	8.4
130.02710	0.8
131.03513	11.6
133.05115	3.1
137.02425	0.9
143.03537	0.8
147.18350	0.6
156.94330	0.6
156.98183	0.8
168.99159	0.6
170.99802	0.7
184.74431	0.6
186.99216	1.0
217.10228	0.7
229.00381	1.2
275.07733	1.6
293.08826	100.0
294.09158	2.4
331.03735	3.9
407.11981	53.7
408.12384	2.2
432.58099	0.6
465.09283	1.6
556.04810	0.6
595.08649	0.7
605.25226	0.6
625.12952	5.9
635.17383	0.6
760.49170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	6.7
69.01488	0.8
71.01376	4.0
72.99323	0.8
73.02953	2.4
85.02997	1.0
85.06598	1.5
89.02480	1.8
98.22644	2.9
101.02431	1.2
105.01949	8.7
108.02197	1.1
109.02935	0.8
113.02459	2.2
115.03998	1.4
119.03508	1.2
121.02966	3.6
122.03767	2.4
125.02400	0.7
134.03804	1.2
135.04489	1.1
136.01677	47.5
137.02507	1.0
139.04042	2.7
146.12242	0.7
151.04022	87.5
152.04350	1.7
154.50990	0.8
159.04533	0.7
160.05325	0.9
161.02466	1.7
161.04581	1.9
165.05574	0.9
175.07730	2.0
177.01970	0.8
179.03500	1.1
193.05025	1.2
197.01979	0.7
236.48526	0.8
269.04764	1.2
313.00916	0.7
339.12433	1.1
342.11163	2.8
357.13464	100.0
357.67780	0.7
358.13687	3.5
399.14807	1.0
493.83600	0.9
501.17697	5.5
508.32813	0.7
519.18982	3.1
561.19623	1.8
691.30334	1.3
835.40979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68729	0.2
71.01402	1.6
73.02932	0.4
83.01419	0.3
84.02200	0.3
85.02955	1.0
85.06590	1.0
89.02497	0.3
93.03477	0.6
95.01403	0.3
96.96033	2.0
101.02465	1.0
108.02177	0.8
109.02952	0.3
111.04536	0.4
113.02487	0.3
115.04039	0.9
121.02981	3.5
122.03783	2.1
124.01692	0.5
133.03011	0.4
134.03795	0.7
135.04570	0.4
136.01683	50.4
137.02397	1.2
137.03389	0.2
139.04034	3.6
141.40436	0.3
149.06137	0.5
151.04030	81.0
152.04369	1.5
154.36438	0.3
159.04579	0.4
160.05338	1.1
161.02489	0.3
161.04564	1.6
162.03285	0.9
163.04016	0.7
169.16168	0.2
175.04031	0.6
175.07640	1.5
177.05612	0.7
179.03526	0.6
187.04103	0.2
190.06413	0.4
241.05302	0.3
285.03995	0.5
296.10596	0.3
311.13028	0.6
342.11105	4.3
357.13467	100.0
358.13779	4.5
392.60931	0.3
501.17734	4.4
519.18781	2.5
539.45978	0.3
561.19733	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91929	0.2
69.67599	0.2
69.67927	0.7
71.01379	3.1
71.04665	0.2
71.05028	3.6
73.02949	0.9
85.02944	0.8
86.12122	0.2
87.00861	0.4
89.02454	3.3
89.92992	0.2
95.01381	0.3
97.02950	0.3
97.06608	0.4
101.02453	2.5
104.09584	0.2
113.02472	1.3
116.92925	0.2
119.03512	1.6
119.49055	0.2
121.29469	0.2
125.02471	1.3
131.03528	0.7
137.58076	0.2
143.03482	0.6
161.02431	0.2
161.04582	1.2
179.05635	3.3
221.06650	0.9
263.07843	0.4
305.08853	0.5
323.09900	3.1
351.26990	1.2
358.02240	0.3
389.28696	0.3
401.94681	0.2
405.31628	0.7
407.29291	0.4
421.31113	0.4
423.32751	1.9
425.34357	0.3
455.31326	0.3
467.31674	0.4
469.33252	100.0
470.33618	5.5
470.39352	0.2
793.43927	6.0
794.43738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05216	1.3
61.98819	1.6
69.35963	6.5
73.40640	1.3
98.21818	1.5
103.00385	6.2
103.01511	100.0
114.14512	1.3
134.80661	1.4
253.01488	1.5
632.04547	1.4
709.60291	1.5
797.91357	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	855.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45432	0.6
63.02390	0.7
65.00328	0.7
69.58591	2.2
83.01406	0.6
89.02506	0.6
93.03470	1.2
101.02489	0.9
107.01443	0.9
113.02526	0.7
113.51099	0.6
117.03497	1.5
122.06144	1.2
133.02972	0.8
135.04543	1.9
136.07704	1.8
138.05641	0.8
150.05602	1.4
151.00374	2.7
159.04593	0.8
163.00366	1.5
165.02032	0.7
169.01422	0.9
169.06628	1.3
182.13933	0.6
183.04543	2.1
185.06078	1.5
187.03920	1.5
188.57610	0.6
189.05563	0.7
191.05667	1.1
195.04597	0.7
199.03987	0.9
207.26630	0.7
211.04027	2.2
213.05623	1.3
227.03513	14.7
229.05009	4.8
229.09799	1.7
230.10094	1.0
239.03610	1.1
241.05153	0.9
243.02989	0.8
255.03004	46.9
256.03561	2.9
257.04477	3.5
257.09509	0.9
269.04709	0.7
273.12494	2.4
274.12759	1.4
283.02505	44.0
284.03284	39.7
285.04062	85.0
286.04422	2.8
297.97623	0.7
298.04962	0.7
317.11356	1.2
318.11868	1.4
327.05109	1.7
335.12549	9.4
336.12878	6.3
337.13077	2.7
346.02332	0.8
351.04288	0.7
397.58676	0.7
429.83673	0.6
518.18146	0.8
546.13788	1.3
547.14478	1.8
593.15155	100.0
594.15533	4.4
635.15869	1.5
797.21680	0.8
855.26080	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	855.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	2.9
69.88448	1.0
70.00443	3.0
70.00797	1.2
71.01379	3.1
81.03458	3.2
85.02966	1.4
93.03458	1.3
99.03921	1.7
99.04537	28.3
101.02454	11.1
103.38775	1.1
108.02172	2.5
109.02950	2.1
125.02459	22.1
137.02469	5.1
140.48557	1.1
149.02466	1.2
150.03223	2.8
151.00369	7.7
151.04025	2.5
152.01137	3.3
152.04817	1.7
165.05624	1.8
166.02728	35.4
167.03505	2.4
173.04559	1.3
179.03381	1.0
181.05089	55.0
191.05585	2.1
193.05109	1.2
275.07758	2.4
285.04123	1.6
338.20755	1.1
365.38239	1.1
377.88730	1.1
387.10785	6.0
387.15073	2.5
402.13367	7.9
407.45963	1.1
411.06659	1.1
417.15594	100.0
418.16022	6.1
452.22391	1.1
519.77063	1.2
531.18695	2.8
537.20313	1.2
579.20966	5.5
591.21240	5.2
855.28723	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	855.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.2
69.03457	0.8
69.30242	4.0
71.01391	15.6
72.99320	1.5
73.02961	4.9
83.01427	4.2
85.02957	7.3
85.06591	9.6
86.00138	0.8
87.00885	2.9
88.98834	1.6
89.02467	4.5
93.03475	1.3
94.15762	0.6
95.01410	1.5
97.02938	1.2
98.21871	1.8
99.00892	2.1
101.02462	10.6
109.02956	1.0
109.87244	0.8
111.00896	1.0
112.01684	1.0
113.02465	6.3
113.06111	3.1
115.04031	5.2
119.03541	1.3
121.02940	4.2
124.01673	1.5
125.02437	1.0
135.04520	1.0
136.01749	0.7
139.04039	9.8
145.03036	0.9
147.04602	0.9
149.06039	0.7
151.04030	1.7
152.04379	0.8
155.02351	0.7
159.04515	2.7
161.02455	1.1
171.06645	0.8
180.07877	0.7
189.07693	1.0
223.09586	0.9
239.07220	1.0
240.01991	0.8
240.04311	1.8
246.74467	0.7
253.08846	0.9
255.06667	1.8
263.07037	1.3
263.69327	0.8
267.06625	3.4
268.07440	3.6
269.08240	5.7
270.09003	2.4
270.82178	0.7
272.47202	0.7
280.07394	1.2
281.08206	11.2
282.09006	6.9
283.09766	6.5
293.08203	2.1
294.08844	1.1
295.09808	3.5
296.10480	1.8
297.11179	1.0
299.09183	3.6
300.10141	0.8
309.11438	1.5
311.09192	2.9
312.10220	1.0
313.10785	1.1
314.08115	1.3
314.11606	6.7
315.12369	2.3
326.11636	12.9
327.12329	8.9
329.10257	1.0
329.14001	16.2
340.09616	1.5
341.10052	1.4
341.13968	15.2
343.11938	3.0
355.11911	5.9
357.13492	2.2
358.13788	1.0
359.13980	0.7
367.14111	1.1
368.12695	1.7
369.13477	1.3
383.15073	1.1
385.15030	1.5
399.14789	1.1
421.37473	0.9
445.15222	0.9
455.13467	2.1
458.15756	8.6
461.14484	2.0
470.15765	8.4
471.16312	1.0
473.12613	1.2
473.18488	25.1
476.16895	14.5
485.18225	23.5
488.16888	9.0
491.19290	100.0
492.19659	3.9
503.19312	98.5
504.19730	3.9
521.20355	26.1
522.20679	1.2
533.20355	82.1
534.20593	2.5
545.20355	69.1
546.20392	4.2
563.21393	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	855.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	4.5
71.01389	67.7
72.99318	2.7
73.02948	17.5
83.01395	12.0
85.02962	28.9
85.25127	1.2
87.00872	5.0
89.01938	2.5
89.02454	29.4
93.03445	1.1
95.01394	4.5
96.95980	1.4
97.02943	1.4
99.00900	5.6
101.01801	2.2
101.02453	44.8
105.64574	1.3
113.02458	25.2
119.03506	7.3
125.02460	1.7
128.60417	1.2
135.04533	2.3
143.03534	2.0
153.77600	1.3
159.02913	1.4
161.04533	5.1
172.03394	1.3
179.05618	2.2
231.44830	1.3
255.11378	2.6
281.14890	1.2
329.14001	1.3
441.30585	1.6
471.31305	6.8
489.32233	3.3
491.19598	2.4
503.19254	1.8
531.33136	4.6
533.20007	1.7
633.36395	17.5
651.37378	3.9
693.38733	10.3
795.41827	32.8
796.41632	2.8
813.42834	20.5
855.43884	100.0
856.44440	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	859.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	12.2
68.09379	3.4
69.29269	15.5
71.01388	6.6
82.95419	6.4
85.02963	4.3
94.67719	3.0
123.56268	3.3
123.59287	3.1
136.01636	4.6
137.02444	4.2
146.87296	3.0
149.02409	3.1
151.00426	15.5
151.03979	5.9
161.02354	3.3
164.72301	3.6
167.45790	3.0
175.04066	5.0
193.15446	3.1
199.03976	5.0
226.02737	10.4
227.03493	10.3
243.02997	9.2
254.02213	7.3
255.03004	34.2
269.04733	5.1
271.02499	96.9
272.02966	9.3
283.02527	31.9
284.03265	24.5
285.04071	42.6
299.02048	34.8
300.02768	76.5
301.03546	81.0
447.09354	100.0
517.18591	5.9
551.12244	4.0
593.15204	56.0
629.84601	3.7
675.51471	3.5
713.17401	10.3
841.29340	4.7
859.23053	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.231
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45438	0.6
61.98830	1.8
63.02398	0.5
64.49229	0.5
72.91673	0.4
74.36381	0.5
83.01382	0.6
89.02473	0.5
93.03477	1.2
101.02447	0.5
107.01398	1.0
113.03500	0.5
121.03006	0.5
125.02430	0.7
131.04640	1.1
134.02078	0.4
135.04614	0.5
136.01715	0.5
137.02454	1.4
145.02922	0.5
151.00371	1.5
161.02397	0.8
165.05438	0.5
169.06590	0.5
179.03514	0.7
181.05063	0.7
185.06119	0.8
191.05582	0.7
211.03983	0.9
211.06078	0.7
213.05698	0.6
227.03502	20.7
228.04216	0.7
255.02994	28.4
256.03696	3.4
257.04626	1.0
269.04602	1.4
270.04919	0.6
281.06485	0.5
283.02420	2.6
284.03296	34.1
285.04068	100.0
286.04425	3.0
327.05048	0.8
427.12286	2.6
431.09866	54.0
432.10474	2.7
490.28659	0.5
505.18695	0.6
517.18866	1.3
535.19757	0.6
655.76416	0.5
660.11664	0.5
713.17084	6.3
718.48682	0.5
859.21527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17381	7.9
61.98838	75.6
68.71202	8.0
69.10298	27.1
69.10723	26.0
69.95702	7.6
71.01383	32.0
73.35228	7.0
85.02959	10.7
89.02438	8.8
98.21828	15.7
101.02464	19.6
107.12154	7.1
113.02452	19.7
137.89923	8.0
144.82997	7.9
152.71223	7.4
214.31023	8.1
247.88052	7.9
578.84479	12.1
661.39166	12.7
770.04999	9.9
823.44775	100.0
823.58484	10.2
859.42120	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73540	100.0
86.27392	33.8
123.72428	30.0
142.72939	35.7
208.33353	31.4
210.92717	38.4
224.45879	36.6
237.59747	33.3
277.21643	82.6
327.21646	83.2
334.40259	34.5
411.92624	33.2
488.41144	36.7
572.04156	34.4
585.03870	34.9
716.21265	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83825	0.6
65.00335	0.9
65.32968	0.7
69.46962	2.7
74.02477	1.5
79.69769	0.6
85.61625	0.6
86.57394	0.5
107.01402	1.7
107.60266	0.7
108.02199	0.8
109.02959	1.7
121.02967	2.1
125.02402	0.7
125.97877	0.6
132.50403	0.6
135.04474	0.9
136.01642	2.7
137.02426	1.5
139.03915	0.6
147.04543	4.0
148.01683	0.9
149.02516	0.9
151.00378	7.6
151.04051	3.1
161.02467	1.1
163.00380	1.8
165.01947	1.8
165.05638	3.4
175.04025	0.6
178.99879	4.2
180.04314	0.9
195.06628	1.4
197.04526	1.7
203.08261	1.1
207.03110	0.6
207.06679	0.9
226.02660	1.0
227.03452	1.3
243.03000	5.3
244.21771	0.6
245.04529	1.2
245.09311	2.7
252.87564	0.8
254.02200	1.6
255.02960	15.1
271.02493	34.0
272.03067	1.8
280.40472	0.6
300.02777	66.6
301.03543	27.3
341.08768	3.6
357.13483	0.8
609.14636	100.0
610.15131	4.5
669.21985	1.1
699.23108	2.3
861.29462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	7.4
63.29963	1.8
69.50172	5.4
70.39462	1.7
71.01384	12.5
73.02946	2.8
82.95425	2.9
83.01395	3.6
85.02950	4.1
87.00880	2.6
89.02463	5.1
94.00310	1.9
96.96047	2.9
99.00850	2.1
101.02451	7.7
108.02164	4.1
109.02958	2.6
113.02464	1.7
121.03011	1.6
134.03748	2.7
135.04518	3.7
136.01683	3.3
145.02974	1.8
147.04524	1.7
149.02415	2.3
150.03207	2.4
151.04004	4.7
161.02441	1.9
165.05579	2.1
177.01883	2.3
179.03516	3.3
179.11612	1.9
185.07735	1.7
193.05066	2.7
197.04579	1.7
232.11087	1.5
277.05124	2.5
278.05688	2.0
282.53564	1.5
377.63950	1.8
441.13458	2.0
442.13879	2.0
443.14944	2.4
455.14914	2.3
474.16663	2.1
475.17828	2.8
486.16824	6.7
487.17624	6.6
491.15610	2.5
501.19128	6.8
503.17548	2.3
621.19733	9.4
633.19537	2.9
636.21948	7.5
651.24481	80.4
652.24786	4.8
663.24542	100.0
664.24786	9.3
681.25446	7.7
699.23370	1.9
811.66040	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	863.336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	6.3
71.01393	7.6
73.02958	6.6
75.00853	4.5
75.93101	4.4
78.03837	3.9
80.45071	4.0
85.02959	6.3
87.04520	24.7
89.02467	5.0
96.95988	4.0
97.06615	4.3
101.02466	7.4
108.02215	4.2
121.02958	7.6
122.03766	5.0
135.04570	7.4
135.08086	5.5
136.01674	85.3
137.02501	4.3
137.09731	16.8
150.03276	5.4
151.04030	100.0
151.11310	6.2
153.05571	6.5
155.10793	91.1
161.02437	7.2
163.11337	5.6
165.05562	4.7
169.12325	7.2
177.01944	9.1
179.03438	4.5
179.10767	10.3
181.08682	10.0
189.41187	3.9
191.10782	5.7
199.09753	47.4
223.09775	5.5
241.10876	14.9
253.10793	6.5
269.04562	10.3
283.12003	29.1
342.11252	5.9
343.11746	5.2
343.14090	12.4
357.13431	58.7
385.15366	4.3
503.31165	4.4
605.15607	5.2
701.28186	47.4
707.68158	5.1
863.33368	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	1.0
65.49372	0.8
70.00861	1.3
70.01176	0.9
81.03475	1.2
82.47540	0.7
83.01397	4.7
93.03483	2.0
95.05026	1.3
97.02979	1.6
100.01292	0.8
101.79237	0.6
107.05096	1.5
109.02969	11.1
117.03499	0.9
121.02979	1.7
122.03723	1.0
123.04529	7.3
125.02459	100.0
126.02818	2.2
131.05070	1.5
133.02960	5.8
134.03667	0.7
134.37537	0.8
135.04533	2.1
137.02457	13.9
139.03981	1.5
145.03023	1.3
147.04495	1.0
149.02431	3.2
149.06133	1.1
150.03226	1.0
151.04039	9.9
159.04520	2.8
161.02458	33.2
161.06120	1.7
162.03198	3.1
163.00377	3.0
163.04047	3.8
164.01151	4.9
165.01936	4.8
167.03537	1.0
173.02400	0.8
173.06110	1.7
174.03241	1.1
175.04016	15.3
176.01216	0.9
177.01936	9.9
177.05609	1.9
179.03552	2.2
182.77051	0.7
185.06076	1.3
187.04008	4.7
188.04729	1.5
189.01933	2.3
189.05574	0.9
191.03481	1.1
193.05141	1.4
199.03975	3.3
201.01935	1.0
201.05627	1.6
202.06441	1.1
203.03517	3.3
203.07182	4.3
205.01445	1.0
205.05125	3.9
210.26047	0.7
211.03983	1.3
213.05531	0.8
214.02643	0.7
215.03578	1.7
217.05034	7.4
217.08661	0.7
219.02979	3.0
221.08134	0.9
225.05522	1.5
227.03560	1.5
227.07135	1.3
228.04407	1.1
229.05121	2.3
231.03145	1.5
241.05005	0.8
243.02972	17.4
243.06616	1.4
244.03671	0.9
245.04549	10.8
245.08217	5.7
255.03003	5.7
256.03806	2.5
257.04556	1.7
261.03986	5.6
267.03116	1.5
269.04596	2.3
271.06125	0.8
273.04059	2.4
281.04700	2.4
282.01785	1.0
283.02707	1.7
285.04108	1.9
287.05637	26.1
288.06036	0.9
289.07175	19.5
299.05569	3.6
315.08606	1.2
327.05237	1.0
339.08774	1.7
341.06741	2.0
395.07788	1.2
405.06085	5.0
407.07742	20.2
408.08063	1.5
413.08823	7.5
417.06332	0.9
423.07028	5.1
425.08746	10.3
435.07098	1.1
449.08853	7.0
451.10385	7.2
467.10220	1.0
525.08405	1.8
543.09320	3.7
559.12854	1.2
561.10693	2.0
569.10767	1.3
575.12012	6.0
577.13519	10.4
578.13855	0.9
587.12030	2.9
695.13989	6.5
713.15271	2.5
714.14258	0.7
739.16632	1.5
845.30719	0.7
865.20435	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.199
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04650	0.8
65.03930	1.1
70.23253	2.1
81.03449	1.9
83.01396	4.1
89.98758	0.8
90.17952	0.8
93.03442	2.2
95.05070	1.2
97.02960	1.7
97.41367	0.9
107.05019	1.9
108.02200	1.1
109.02950	11.3
120.02228	0.9
121.02956	2.0
122.03793	1.4
122.73440	0.9
123.04537	9.0
125.02455	100.0
126.02818	1.1
131.05049	1.3
133.02965	4.6
135.04556	2.1
137.02460	13.5
139.04022	2.6
146.03752	0.8
147.04538	1.1
149.02467	4.4
151.04033	12.8
159.04564	3.6
161.02463	31.3
161.06107	1.8
162.03168	3.0
163.00386	3.3
163.04042	5.1
164.01151	5.9
165.01959	6.2
167.03537	1.4
173.06097	1.6
174.03134	1.0
175.04019	18.1
176.01180	1.3
177.01932	10.3
177.05501	1.1
178.94928	0.8
179.03476	2.6
187.03973	3.6
188.04820	1.4
189.01906	1.6
189.05656	1.1
190.02623	0.9
191.03583	1.6
193.05077	0.9
199.04021	4.2
201.01854	0.8
201.05556	2.6
203.03574	1.3
203.07184	4.2
205.01439	1.7
205.05040	4.6
213.05501	1.8
215.03461	1.3
217.05060	8.2
219.03021	4.2
225.05542	1.0
227.03491	1.9
227.07219	0.9
229.05087	1.7
231.03000	2.0
239.07060	0.8
241.05232	1.4
243.02983	22.4
243.06625	1.0
245.04558	10.8
245.08203	6.1
253.05029	1.7
255.03062	7.0
255.05559	1.0
255.06288	0.8
256.03815	2.8
257.04483	1.7
261.04010	6.8
267.02899	1.1
269.04498	3.9
273.04169	1.5
281.04504	2.3
282.01770	1.0
283.02527	2.4
285.04071	2.7
285.07553	1.2
287.05612	29.9
288.06049	1.8
289.07220	25.4
290.07431	1.1
297.03711	0.9
299.05600	5.0
313.93875	0.9
315.08701	1.1
327.04950	1.6
329.07150	0.9
337.07318	1.3
339.08719	1.7
341.06631	1.9
374.64743	1.1
391.04657	1.4
395.07611	1.7
405.06052	5.9
407.07724	19.7
413.08734	8.5
414.09180	1.1
423.07175	6.6
425.08783	10.8
426.09357	2.2
435.07117	1.8
449.08829	9.2
451.10327	8.9
467.09695	1.1
525.08240	2.5
533.11261	0.9
543.09351	5.6
559.13220	0.9
561.10413	1.9
569.11084	2.1
575.12067	6.7
577.13629	11.9
578.13940	1.5
587.12189	3.9
588.12280	1.2
619.14600	1.0
695.14111	10.3
696.14221	1.1
713.15167	3.9
739.16290	2.8
865.20081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60833	0.9
69.94766	1.9
69.95081	1.3
81.03452	1.3
83.01403	4.9
93.03443	2.2
95.01403	1.2
95.05067	1.7
97.02955	3.4
98.22687	1.4
107.05032	1.2
108.02248	1.5
108.13943	1.0
109.02955	18.4
121.02970	4.3
122.03757	2.2
123.04532	13.1
125.02457	100.0
129.41042	0.9
133.02937	5.6
135.04541	3.1
137.02449	28.7
139.03978	2.5
149.02464	5.6
150.03247	1.9
151.04005	10.3
153.70746	0.9
159.04549	2.1
161.02454	38.5
161.06076	3.2
162.03201	3.2
163.00359	3.3
163.04002	3.8
164.01221	4.4
165.01982	4.7
167.03543	1.2
174.03270	1.4
175.04037	10.0
175.07687	1.1
176.01184	2.5
177.00510	1.2
177.01953	13.4
177.05554	2.1
179.03535	3.9
180.69295	1.0
185.06166	1.3
187.03967	6.4
188.04759	2.5
189.05643	1.3
191.03587	1.1
197.06284	1.2
201.05550	1.9
202.06310	1.0
203.03575	2.5
203.07158	5.0
205.01469	2.5
205.05042	5.5
211.04036	1.7
213.05618	2.3
214.02779	1.1
215.03471	1.6
217.05028	2.0
221.08229	1.7
227.03606	1.2
228.04257	1.9
229.05083	4.1
231.03029	1.8
243.02960	4.2
244.03615	1.6
245.04561	11.3
245.08212	9.9
247.06082	1.1
253.05258	1.6
255.03035	15.6
256.03772	5.1
257.04565	2.3
269.04562	2.8
273.04031	4.6
281.04608	3.3
283.02603	2.4
285.04138	3.4
287.05667	12.7
289.07196	35.7
297.04089	1.1
299.05624	11.4
329.06525	1.3
339.08710	3.3
381.09866	3.2
405.06104	1.3
407.07715	52.1
408.08224	2.3
425.08841	20.9
426.09451	1.2
435.07364	3.2
449.08752	1.5
451.10376	22.2
457.09625	1.0
461.09167	1.7
482.01932	1.1
525.08478	4.3
543.09222	9.7
559.12274	2.2
561.10052	5.1
569.10852	9.9
577.13489	16.0
587.12048	15.8
613.13379	1.8
695.14038	9.8
713.15375	2.2
739.16785	2.5
865.19580	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	866.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	3.8
69.66860	0.7
69.76351	2.8
71.01388	46.3
72.99312	1.7
73.02956	14.3
80.15173	0.6
83.01393	8.6
85.02961	25.9
87.00875	4.2
89.02454	10.7
95.01400	4.7
97.02953	2.0
99.00905	5.5
100.83539	0.9
101.02459	28.0
113.02463	17.8
119.03516	2.7
125.02420	2.3
129.01930	1.0
131.03558	1.0
143.03516	1.9
149.04587	1.0
159.03014	1.8
161.04581	9.3
179.05598	2.1
182.38313	0.7
221.06728	1.3
276.83643	0.8
315.12878	0.9
499.34488	7.8
661.29236	1.5
661.39606	17.7
816.38708	0.9
823.44928	100.0
824.44672	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	867.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16175	14.5
83.01369	9.8
95.81340	7.7
98.22674	7.5
100.40985	8.2
109.02956	16.2
121.02994	13.2
123.04510	10.5
125.02444	100.0
126.02747	13.0
137.02473	16.1
138.03281	8.5
150.64844	7.9
151.04053	12.6
159.10321	8.8
161.02472	23.7
162.02881	7.4
175.03949	12.0
176.84407	7.6
177.01979	11.5
187.03931	10.6
187.84689	7.3
197.03401	8.2
243.02951	18.0
245.08260	12.0
276.72778	7.2
287.05566	16.2
289.07181	32.9
309.68579	7.5
359.16754	8.9
405.05981	8.3
407.07648	36.7
425.08920	38.6
451.10172	12.5
452.74533	8.1
577.13361	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	4.0
71.01398	2.9
85.02937	1.9
89.02448	2.2
90.56245	1.5
98.18201	1.4
101.02458	1.4
103.91328	1.4
109.03059	1.7
136.01688	2.6
150.06874	22.9
150.98328	1.5
151.03972	3.0
163.07590	3.9
164.08444	6.2
179.10782	13.8
208.81105	1.3
225.09178	1.8
327.21823	8.1
357.13467	2.9
358.13715	1.8
359.13788	1.7
474.83578	1.9
489.32211	4.6
506.32770	3.6
507.33331	27.1
651.37531	5.0
669.38641	100.0
670.39001	8.9
882.52246	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	867.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64554	0.6
61.98829	2.1
71.01361	0.9
78.91923	0.8
88.98827	1.1
89.02463	1.0
101.02484	0.7
104.82226	0.5
149.06117	0.9
150.06885	19.5
157.05753	0.6
163.07663	3.4
163.91902	0.6
164.08400	5.5
177.01932	1.7
178.10162	0.7
179.10800	12.1
185.11894	1.4
269.04648	2.4
289.66180	0.6
327.21802	9.6
489.32263	3.3
505.32349	0.9
506.32571	3.0
507.33347	23.1
508.33295	0.9
521.34985	1.4
621.98602	0.8
651.37604	5.6
669.38617	100.0
670.39276	6.3
867.41974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	37.2
64.53350	4.6
65.61825	4.1
71.01398	9.3
89.02451	6.1
96.96002	5.1
98.22622	11.3
122.06139	5.6
134.06148	9.7
150.03250	6.1
150.06839	22.8
163.19678	5.3
164.08443	7.7
177.01941	5.6
179.10754	10.4
219.93806	5.1
221.27217	6.1
229.03636	5.5
279.11420	10.1
327.21771	11.6
366.93811	5.0
456.00671	5.5
506.32526	6.9
507.33063	30.9
508.33823	13.6
651.62213	5.9
658.35132	6.1
669.38403	49.0
670.39056	100.0
738.33612	6.0
773.30817	31.9
778.73102	4.7
805.33356	20.6
806.33051	8.0
838.95306	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	869.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26807	1.8
61.81680	1.6
71.01388	16.0
79.97375	1.8
80.05052	1.8
82.31453	1.9
85.02960	5.3
89.02461	12.3
94.02998	9.6
95.01414	2.4
96.44357	1.8
101.02440	9.1
106.06629	5.7
107.68066	1.8
108.04583	4.3
113.02465	6.2
119.03526	3.6
120.43405	1.9
122.06143	2.6
132.04523	2.9
134.06151	27.8
136.04103	2.2
138.05611	2.3
146.06151	2.4
150.03238	2.4
150.05652	2.0
152.07191	4.7
168.06616	2.4
169.05092	1.8
174.57597	1.9
187.91913	2.2
201.10225	3.7
211.08684	2.7
225.10339	2.2
227.11777	2.8
229.09898	4.8
229.13507	3.0
237.10475	4.1
239.12033	2.7
244.62994	2.0
249.10474	2.6
251.11995	3.2
253.09839	4.2
255.11464	3.4
263.08484	3.5
265.09854	4.7
267.11453	5.4
277.09811	7.0
278.07162	2.6
278.10593	6.5
279.08026	3.4
279.11420	9.1
292.08505	3.6
293.09442	9.6
294.10153	3.2
295.10861	6.2
301.11963	4.6
305.09451	3.1
307.10992	5.7
309.12439	4.2
314.12427	2.5
319.13034	11.2
321.08954	2.9
337.08209	4.3
339.09793	3.3
351.10001	2.1
374.15051	4.0
458.17249	3.0
517.17780	2.5
620.22681	3.8
638.23010	5.9
648.21613	4.7
666.22778	16.1
680.24487	4.0
706.70105	2.3
712.27014	9.7
745.27692	3.1
761.31232	3.4
777.29999	3.6
805.29309	64.5
806.29468	5.1
819.31036	5.6
837.32025	100.0
838.32739	9.5
869.35443	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	869.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	4.2
69.49343	7.8
71.01391	27.0
72.99303	1.7
73.02956	4.7
85.00906	1.9
85.02951	4.0
87.00885	2.7
89.02457	36.1
95.01402	1.8
101.02458	31.6
113.02444	11.1
119.03490	13.3
125.02445	2.1
131.03534	4.7
133.02888	1.7
134.33958	1.8
134.34991	1.6
143.03526	5.5
161.04536	9.8
166.26147	1.8
170.69901	1.8
179.05627	63.3
221.06700	14.7
339.50385	1.6
341.10852	5.9
389.28403	2.4
485.32776	100.0
486.33044	6.3
809.43994	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	872.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.15681	1.6
84.80887	0.3
98.21892	0.6
173.70479	0.4
195.06818	0.3
360.65128	0.3
577.95300	0.3
603.64825	0.3
858.46570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.01335	0.3
71.20291	0.4
75.90401	0.3
97.11392	0.3
144.24295	0.3
155.92357	0.4
165.28427	0.3
176.55159	0.3
229.66679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81987	0.7
70.91437	1.4
71.01388	18.4
72.99338	1.3
73.02962	8.2
73.86843	0.7
83.01391	6.7
85.02966	11.6
85.06604	10.3
86.00130	1.2
87.00890	2.0
89.02439	2.9
89.78885	0.8
91.42949	0.8
93.03462	3.3
95.01391	3.1
95.05055	1.6
96.96004	1.3
97.02968	1.4
99.00894	2.8
101.02457	16.9
105.03452	1.3
108.02178	1.3
111.00867	1.3
112.01679	2.3
113.02464	8.1
113.06101	2.4
115.04010	4.9
121.02975	3.6
122.03743	6.1
123.04513	1.3
124.01699	1.6
132.02177	2.0
133.02969	11.2
134.03737	2.6
135.04504	2.6
136.01712	1.4
137.02505	1.4
139.04051	4.8
147.04543	3.0
149.02458	41.2
149.06093	5.2
150.03247	55.0
151.03928	1.5
161.02467	3.0
161.04555	1.0
162.03142	1.3
164.04845	8.1
165.05580	39.4
166.06343	6.7
167.07082	1.6
177.01944	1.0
177.05623	1.0
180.04320	2.5
181.05016	1.0
181.08693	9.2
189.07661	2.0
191.05731	1.2
195.06641	10.9
283.09763	1.5
314.11603	5.1
315.12454	1.1
325.12988	6.5
329.13986	22.0
343.14078	10.5
357.15753	1.0
359.09146	0.9
385.15366	2.4
443.17163	1.6
458.15787	1.2
473.11411	1.7
473.18192	30.1
491.19312	58.5
492.19464	1.6
521.20245	12.5
526.35547	0.9
533.20282	21.4
539.21387	100.0
540.21783	3.6
579.82861	0.9
581.22430	94.1
582.22809	3.0
711.23352	1.2
834.94141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00345	0.7
73.28442	0.5
73.59726	0.5
85.02956	0.6
89.02439	0.6
93.03467	1.5
94.47527	0.5
98.21887	1.0
101.02523	0.6
107.01385	1.0
117.03526	0.6
133.03012	0.5
135.04507	0.8
137.02480	1.5
151.00383	2.8
153.01918	0.8
154.04222	0.4
163.00359	0.7
165.01962	0.6
177.02078	0.7
179.03526	0.7
185.06088	0.6
191.05556	0.6
201.05420	0.4
211.04001	0.8
213.05414	0.6
227.03517	22.9
228.03841	0.8
229.05121	1.1
243.02969	0.8
255.03009	34.7
256.03702	3.6
257.04590	0.5
271.02557	2.0
283.02493	3.9
284.03302	33.6
285.04080	100.0
286.04477	2.1
299.02060	0.6
300.02747	2.0
301.03439	2.4
427.12592	2.4
447.09378	57.2
448.09680	1.9
462.20557	0.6
501.15356	1.3
713.17249	8.1
714.17548	0.7
875.22870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08280	1.0
69.20838	6.1
79.50065	1.0
81.03437	1.5
83.01374	4.2
93.03461	2.8
95.05038	1.2
97.02960	2.3
98.22612	2.1
107.05045	2.2
109.02953	14.4
121.02959	4.8
123.04537	6.4
124.01641	1.0
125.02454	100.0
131.05026	2.0
133.02985	4.9
135.04520	1.6
137.02457	15.9
137.84073	0.9
139.03986	3.2
145.03014	1.1
147.04510	1.3
149.02417	9.4
151.00417	1.0
151.04015	17.0
153.01941	3.2
159.04494	1.6
161.02451	22.3
161.06064	2.0
163.00423	2.9
163.03970	6.2
164.01152	4.9
165.01953	7.9
167.03490	1.5
173.06081	1.6
174.03133	1.4
175.04024	19.4
176.01109	1.8
177.01933	61.7
178.02368	2.4
179.03487	3.0
179.32443	1.0
185.06009	1.4
187.03979	4.7
188.04781	1.4
189.01920	2.0
189.05600	1.6
191.03511	2.7
199.03990	5.3
202.06396	1.2
203.03453	2.9
203.07138	4.0
203.75534	1.1
205.01437	1.3
205.05084	3.9
211.03973	1.6
215.03465	2.0
217.05049	9.4
218.02356	1.1
219.02989	6.0
219.06444	1.4
225.05653	1.5
227.03487	2.7
229.05014	3.0
231.02960	2.0
243.02983	28.0
244.03534	1.3
245.04625	6.5
245.08157	5.3
247.06197	1.4
255.02962	11.5
256.03687	2.5
257.04630	2.3
261.04059	12.0
269.04578	3.6
271.06232	1.3
273.04135	2.0
281.04529	3.0
283.02502	2.6
285.03925	3.3
287.05661	17.3
289.07187	27.7
290.07370	1.1
297.04025	1.8
303.05096	10.6
305.06693	6.7
315.05045	3.5
327.05069	2.2
339.08743	1.9
341.06766	2.1
383.07639	1.2
391.04614	2.2
395.07767	1.6
405.05978	1.8
407.07733	23.8
408.07947	1.4
413.08850	9.8
421.05588	2.6
423.07251	6.4
425.08868	12.5
441.08466	1.8
449.08774	2.5
465.08072	4.0
467.09793	9.1
525.08063	3.8
541.07581	1.1
543.09308	9.2
549.10419	1.5
559.08258	1.1
561.10199	3.8
569.10931	2.1
575.11938	3.1
587.12134	4.7
591.11511	3.9
593.12915	10.9
695.14020	3.8
711.13599	5.2
713.15021	3.5
729.14294	2.3
755.16278	2.0
881.19696	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	881.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03964	1.6
68.53967	1.3
71.25354	1.7
83.01401	3.5
93.03507	2.5
97.02969	3.1
105.03514	1.5
107.05049	3.3
109.02959	11.0
121.02969	5.6
123.04525	7.8
124.01727	1.3
125.02457	100.0
127.03254	1.5
131.05032	3.5
133.02956	3.3
135.04535	3.8
137.02467	14.6
137.60068	1.4
139.04056	3.0
144.58112	1.3
147.04518	2.0
149.02477	7.2
151.04005	15.8
154.55968	1.2
159.04503	1.5
161.02451	21.4
161.06116	1.5
161.09755	1.2
163.00398	3.7
163.04004	2.5
164.01184	6.5
165.01939	8.2
167.03528	2.2
175.04024	13.5
177.01933	53.7
179.03531	2.7
187.04080	4.5
188.04808	1.7
189.01993	2.4
191.03459	2.2
193.05101	1.6
199.04088	6.0
203.03525	2.7
203.07204	3.7
205.01347	1.5
205.05093	3.1
211.04118	1.8
213.05576	1.9
214.02574	1.6
215.03448	1.8
217.05026	12.4
218.94867	1.3
219.03050	4.5
227.03688	1.8
229.05121	2.2
231.02992	1.6
243.02995	33.4
244.03584	1.4
245.04517	6.2
245.08214	5.4
255.03052	8.8
256.03870	3.2
257.04480	2.7
261.03995	12.5
269.04633	1.9
273.04065	1.7
281.04532	3.8
282.01605	1.6
283.02405	2.1
285.04120	3.0
287.05664	12.6
289.07239	20.0
293.04883	1.4
297.03848	1.5
299.05649	5.2
303.05215	12.6
327.04980	1.5
387.05353	1.5
391.04568	2.0
405.06287	9.1
407.07712	17.0
423.07199	7.7
425.08704	10.3
429.08423	4.2
451.10544	6.3
465.08273	7.8
525.08478	2.1
543.09436	9.0
561.10168	2.9
577.13684	11.5
591.11792	5.2
603.11469	3.4
625.28894	1.6
627.53540	1.5
695.13928	14.3
713.15424	2.0
729.14136	2.3
755.16083	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	881.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
74.30807	1.1
76.97849	1.0
77.50992	1.1
83.01411	3.7
93.03471	3.0
97.02950	2.1
107.05050	2.8
109.02961	14.1
121.02950	5.8
123.00889	1.4
123.04532	8.4
125.02461	100.0
126.02789	2.3
131.05087	1.1
133.02979	4.9
135.04558	2.1
137.02448	15.1
139.04022	2.2
143.46971	1.6
145.02971	2.0
147.04526	1.5
149.02461	7.1
150.03140	1.2
151.03999	12.8
153.02010	1.8
159.04550	2.0
161.02489	19.5
161.06102	4.0
162.03204	1.5
163.00397	4.1
163.04028	5.7
164.01202	4.3
165.01952	6.9
167.03548	3.1
175.04036	15.2
177.01945	66.4
179.03511	2.8
187.04051	5.5
188.04677	1.5
189.01961	3.5
190.02702	1.7
191.03481	4.1
193.05139	1.8
199.03996	3.6
201.01933	1.6
201.05585	1.8
203.03506	2.3
203.07234	3.7
205.05005	5.3
213.05519	2.2
215.03481	1.6
217.05101	8.4
219.03056	5.4
219.06549	1.5
221.08305	1.3
225.05664	1.5
227.03590	2.2
227.07114	1.7
229.05099	3.2
231.02959	2.0
240.04144	1.3
243.03018	22.3
244.03432	1.6
245.04570	6.0
245.08095	6.2
253.05190	1.8
255.02995	7.2
256.03766	3.8
257.04541	1.3
259.06308	1.2
261.04050	10.4
269.04523	2.3
271.06113	1.3
273.04095	2.6
281.04666	3.6
285.04037	3.3
287.05624	13.4
289.07199	35.2
297.07645	1.2
303.05090	16.7
315.05014	3.1
315.08661	2.5
315.59915	1.1
327.05103	2.1
339.08777	1.7
341.06708	2.8
381.09885	1.4
395.07382	1.2
405.06088	2.4
407.07742	29.7
413.08887	9.8
421.05670	2.3
423.07297	3.5
425.08804	14.5
439.06693	1.8
441.08261	1.8
453.08408	1.2
465.08322	6.2
467.09659	6.6
517.11627	1.3
525.08148	2.6
543.09424	7.2
561.10620	4.4
587.12231	3.8
591.11615	5.4
593.13202	12.9
695.14026	3.3
711.13708	4.7
713.14569	1.6
729.14374	1.9
755.16638	2.0
857.03326	1.2
881.18793	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	883.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.3
63.02405	0.6
65.00321	0.5
71.01374	0.4
73.02917	0.3
76.57188	0.2
81.03477	0.2
83.01408	0.4
91.64848	0.2
98.72096	0.3
107.01383	1.0
108.02161	0.5
109.02962	5.9
117.03500	0.9
119.05010	0.3
121.02980	0.3
123.04546	2.3
133.02922	1.2
134.03691	0.4
135.04532	0.7
137.02420	0.4
145.02954	0.4
147.04500	0.3
149.02425	1.4
150.03236	0.5
151.00380	1.8
151.04065	1.6
159.04526	0.7
161.02483	2.5
162.03203	0.6
163.04024	0.6
171.04485	0.3
172.05330	0.4
175.03969	0.3
177.01939	6.3
179.03607	0.4
187.04016	1.1
188.04845	0.7
189.01955	5.3
190.02687	2.2
191.03525	0.9
200.04657	0.3
201.05573	0.3
203.03484	0.5
211.04002	0.7
212.04785	0.3
216.00655	1.6
217.01440	2.9
218.02196	0.6
219.02974	1.6
225.05542	0.4
227.03545	0.4
227.07222	0.6
229.08795	0.6
231.03018	0.9
239.03481	1.5
239.07011	0.2
240.04301	2.1
241.04599	0.2
253.05101	0.4
257.04459	0.3
264.04132	0.2
265.05042	0.3
267.02850	1.1
268.03781	73.9
269.04520	24.4
270.04840	0.8
281.04568	3.1
282.05310	0.7
283.06143	0.4
289.07236	0.5
297.07681	2.2
299.05673	1.7
311.05603	0.9
323.05566	0.5
341.06668	31.3
342.06985	1.2
371.58774	0.3
407.07788	0.3
410.74799	0.2
431.09848	100.0
432.10123	4.5
433.10483	0.4
451.10376	12.2
452.10428	0.5
452.31400	0.3
493.33698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84850	0.7
70.02988	1.8
72.00905	0.7
72.04581	0.4
74.02482	14.5
79.21439	0.3
84.99486	0.3
97.03271	0.4
98.02484	2.8
100.05683	0.4
102.28300	0.3
103.08279	0.3
107.01373	0.7
109.02976	0.9
116.03564	2.4
116.05075	5.1
121.02965	0.7
125.02499	0.7
142.06639	1.2
151.00357	3.3
154.83694	0.4
159.04575	0.4
159.09297	1.2
163.00403	1.2
178.99870	0.6
183.09181	0.4
185.06148	0.6
186.05624	0.4
187.04016	0.5
187.42981	0.4
199.04056	0.8
201.05573	1.0
201.10327	1.0
203.08289	12.5
211.04050	0.7
213.02026	0.4
215.03542	0.5
226.02650	0.4
227.03499	1.1
229.05048	1.0
231.02956	0.5
232.59837	0.4
236.84442	0.4
242.72121	0.4
243.03036	1.4
245.09328	26.8
246.09622	0.6
255.03024	3.4
257.04324	0.4
271.02515	28.2
272.03009	1.0
299.01990	51.6
300.02682	5.9
301.03549	45.0
302.03873	1.1
446.08560	20.2
447.09323	12.2
448.09421	0.4
485.30005	0.4
593.15173	100.0
594.15527	4.5
670.33484	0.4
779.94537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	30.5
69.03446	12.6
71.01390	63.8
73.02975	40.4
76.01528	9.2
79.18169	8.0
82.14956	8.0
83.01380	16.1
83.30981	7.7
85.02954	31.5
87.00876	10.9
89.02438	31.2
96.96068	7.9
97.02940	22.7
99.00928	9.6
99.04555	8.0
101.02447	100.0
113.02463	29.9
115.04037	15.0
116.92829	11.3
119.03481	9.2
125.02457	20.7
125.94943	8.6
135.04507	9.4
137.09764	8.2
139.27565	8.2
143.03523	17.8
155.10791	28.1
161.04535	38.4
163.06158	16.3
199.09698	11.4
205.07019	10.9
215.25117	8.6
247.08224	22.9
285.04071	10.8
285.12665	12.0
323.09787	19.3
367.12546	9.3
375.19315	7.9
469.15689	27.4
470.16037	11.6
673.29681	14.6
685.28552	17.5
703.29059	13.8
715.29443	10.9
847.33875	22.2
883.31226	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2469
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
61.98821	0.3
63.02396	0.3
65.00338	0.2
69.46990	0.2
69.75538	0.6
73.02948	0.3
82.82242	0.2
83.01408	0.7
88.98816	0.2
91.51123	0.2
93.03465	0.7
107.01376	0.7
109.02944	0.3
113.02431	0.2
117.03450	1.1
119.05040	0.3
125.02497	0.4
135.04552	0.2
136.01662	0.3
137.02435	0.3
143.05063	0.4
145.02979	2.6
145.05011	0.2
151.00420	1.7
151.04028	0.2
155.05067	0.2
159.04520	0.4
161.02481	0.2
163.00438	0.4
163.04008	0.6
169.06644	0.5
171.04530	0.5
179.03558	0.3
183.04538	0.2
185.06105	0.6
187.04066	0.4
201.05719	0.3
205.05128	0.2
211.04051	0.7
212.04761	0.2
213.05504	0.4
214.02760	0.2
215.03618	0.2
227.03528	15.0
228.03903	0.5
229.05032	1.0
239.03447	0.6
240.04311	0.3
243.03067	0.5
255.03012	21.2
256.03735	2.7
257.04575	0.7
265.07108	0.2
283.02533	2.2
284.03305	22.1
285.04071	100.0
286.04440	2.5
295.85446	0.2
327.05032	0.2
331.02188	0.2
357.46716	0.2
431.09869	29.1
432.10248	0.8
453.14056	4.9
572.53717	0.2
670.72205	0.2
739.18823	6.7
740.19830	0.2
885.25116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	1.1
69.71350	1.2
69.71685	4.2
70.65103	1.0
77.22625	1.1
96.11320	1.3
96.96046	1.4
99.01818	1.1
128.07030	1.1
151.00407	1.9
183.04686	1.3
227.03528	28.2
233.29216	1.1
242.91583	1.0
255.03014	44.6
256.03677	3.8
283.02545	14.2
284.03296	40.5
285.04065	47.9
473.10938	100.0
474.11398	3.0
822.19836	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	885.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72767	1.6
71.01366	1.0
81.03460	1.1
85.02975	0.7
87.72398	0.8
94.12553	0.7
98.71062	0.7
99.04522	10.1
101.02464	8.0
109.02931	0.9
125.02461	11.8
135.71562	0.8
137.02455	3.9
147.04433	0.9
150.03185	0.9
151.00394	7.7
152.04842	1.7
153.01942	0.8
161.04568	0.9
166.02727	35.1
167.03471	2.0
177.01907	1.6
181.05080	54.5
181.41077	0.7
182.05406	0.7
190.06406	0.8
205.08678	1.4
207.06583	1.1
285.04028	1.4
322.32822	0.9
387.10815	8.1
388.10742	0.8
402.13257	7.7
403.14120	1.4
417.15582	100.0
418.15833	3.4
579.20935	6.3
621.21869	0.9
827.82056	0.9
885.29926	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	886.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
71.01416	0.3
71.41767	0.1
96.96024	0.1
101.02478	0.2
125.25011	0.1
163.51907	0.1
250.92145	0.2
352.99750	0.1
454.65897	0.2
825.46313	0.2
826.46399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	14.9
63.85525	4.7
64.93356	4.4
67.83480	4.9
70.52679	7.6
71.01385	11.0
74.42103	4.6
85.02976	5.2
85.06593	7.0
89.02446	7.0
101.02457	8.4
109.02917	6.3
133.02898	5.4
135.04510	5.5
136.01685	33.1
139.03987	14.0
151.03993	20.0
159.04539	10.5
160.05295	20.5
161.02402	12.7
161.06073	4.8
172.05305	5.5
172.51192	4.6
175.07645	17.4
177.02034	4.4
179.03481	9.5
180.04166	4.4
189.05649	11.2
190.06322	9.0
193.08667	6.9
195.06557	4.7
230.39970	4.2
235.09610	5.2
255.11362	23.2
269.04691	6.0
280.07422	6.7
281.04446	6.2
293.08188	8.7
296.06879	18.0
299.09189	9.7
300.72122	5.2
311.09366	43.1
321.07776	6.3
336.10013	8.1
339.12213	7.0
363.87140	5.3
415.11826	13.0
427.11578	7.9
430.13831	11.5
439.12128	6.3
442.14148	10.4
445.16718	33.6
460.15317	10.6
472.15405	8.8
475.17770	30.3
487.17709	19.5
493.06696	5.5
493.18695	18.2
505.18842	48.4
506.18228	7.8
517.18738	64.9
523.19794	100.0
535.19824	70.7
553.20868	56.6
653.71637	5.4
690.59430	4.8
697.24719	6.5
700.10425	5.1
757.27142	7.0
777.73077	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	890.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
69.03819	1.6
71.01398	0.5
89.02457	0.5
98.22621	0.5
101.02509	0.4
111.04549	0.3
113.02476	0.5
119.03551	0.3
179.05681	0.5
224.73817	0.2
275.07715	1.5
293.08875	1.3
316.74500	0.2
317.08716	0.5
347.09799	0.3
377.10699	0.3
395.12494	0.3
455.14139	0.4
499.45679	0.2
551.15955	1.5
569.17365	4.0
593.16833	1.0
611.19250	0.3
623.18066	0.3
852.56439	0.3
890.24585	0.7
916.75043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	6.9
69.26512	14.7
71.01384	12.2
73.02955	7.7
77.97017	2.6
83.01409	2.5
85.02957	5.4
85.06615	4.9
89.02460	4.5
101.02445	9.4
113.02448	5.1
113.06116	5.8
115.04019	5.6
117.23207	2.8
135.04489	4.0
136.01605	2.4
150.03192	2.6
151.04088	3.1
161.02440	2.3
161.04591	2.6
232.80815	2.8
327.12314	3.9
329.13910	3.7
341.13916	5.6
357.13266	3.4
476.17014	4.9
488.17389	3.5
491.19269	92.7
492.19559	5.0
503.19284	65.7
504.19638	5.2
521.20325	100.0
522.20428	8.5
533.20251	16.7
545.20276	13.0
550.74420	3.3
563.21509	33.0
564.21942	3.1
762.13110	3.1
841.32251	4.3
891.30212	30.1
892.31000	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	891.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73728	1.7
61.98825	2.4
69.14539	10.2
71.01395	4.7
73.02936	1.7
74.36491	1.4
74.69409	1.3
85.02925	2.6
87.00875	4.1
93.03458	4.1
96.96023	2.6
101.02465	1.4
103.00398	2.7
108.02189	2.7
109.02914	2.1
112.98827	4.6
113.02499	1.7
121.02946	11.6
122.03768	11.3
123.04540	2.0
125.02432	1.4
132.02174	16.1
133.02940	4.1
134.03738	34.2
134.04713	2.4
135.04498	4.5
136.01665	59.3
137.02466	3.6
143.10764	14.6
149.02466	16.0
149.06122	8.0
149.07109	1.4
150.01999	2.2
150.03224	53.1
151.04013	59.4
155.10791	5.1
157.53975	1.5
159.04504	2.0
160.01660	78.2
161.02342	2.8
162.03275	2.6
165.05563	42.0
175.03999	100.0
176.01100	1.7
176.04703	6.0
177.01953	4.0
178.02635	1.6
179.03476	4.2
180.04240	1.6
191.07143	3.0
193.05051	30.5
195.06598	14.4
199.09773	1.9
217.05042	2.3
235.06076	11.7
241.10739	2.2
250.06372	2.3
275.11420	11.0
279.06512	2.0
282.08957	3.7
287.69922	1.5
297.11304	1.7
311.00079	1.8
327.12262	7.3
337.09280	81.5
338.10065	2.4
341.10266	17.6
342.10873	2.5
343.11835	6.9
357.13431	24.9
358.13425	1.8
371.11346	4.2
383.11206	1.9
389.12372	3.3
482.53342	1.8
485.14572	4.5
533.16766	6.0
695.23492	91.2
696.23975	5.6
701.28381	2.3
715.64990	1.7
861.54590	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	893.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	5.3
73.02960	14.0
83.01389	6.9
85.02964	2.4
89.70102	1.2
93.03462	1.6
96.96017	1.3
101.02449	4.5
108.02207	2.9
113.02489	1.9
121.02959	9.0
122.03739	7.0
123.04503	3.2
133.02974	3.9
134.03773	2.6
135.04530	6.2
136.01674	50.5
136.05310	15.2
137.02440	2.5
137.06070	2.5
149.02440	22.0
149.06102	3.8
150.03241	41.3
151.04015	42.9
161.02428	1.6
162.03296	2.1
164.04831	8.0
165.05583	22.1
177.01973	2.7
177.05580	2.7
180.04268	1.4
181.05072	4.3
195.06657	32.7
209.08249	3.4
219.06645	3.0
223.54521	1.4
237.07704	38.6
237.10121	2.3
251.09262	2.1
269.04633	3.3
283.09717	5.4
284.10471	2.3
311.09341	10.1
325.10699	7.1
327.12360	1.9
343.11880	100.0
344.12103	3.2
348.24573	1.6
357.13474	15.7
367.11996	7.6
367.16049	1.5
373.13040	6.8
385.13049	3.9
391.14069	39.2
403.13571	1.5
409.12567	1.6
415.13815	6.2
427.14075	3.8
433.15002	13.9
457.15140	5.0
475.16306	10.5
487.16162	10.4
535.18390	15.7
567.18158	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90590	0.7
71.01386	1.3
85.02946	1.4
85.06587	1.5
108.02160	1.2
113.02490	1.1
115.04077	0.8
121.02993	3.6
122.03761	1.7
124.01659	0.9
135.04559	1.3
136.01671	55.2
137.02409	1.7
139.04030	4.8
151.04019	90.3
152.04352	1.8
161.04643	1.0
162.03265	1.2
163.04053	1.2
163.18674	0.7
175.07669	1.6
210.88026	0.8
342.11057	4.4
357.13458	100.0
358.13794	3.4
501.17688	6.8
543.18726	8.1
561.19885	2.1
723.09570	0.9
734.75769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88922	1.9
71.01382	10.1
76.41771	1.8
85.02954	3.3
89.02456	5.4
93.03469	4.7
95.01387	2.5
96.95389	2.0
96.96012	4.2
101.02433	4.7
104.30630	2.1
109.02966	7.2
113.02442	3.2
116.92867	3.5
119.05045	2.3
121.02978	29.6
122.03751	29.1
123.04514	5.2
123.20309	2.0
125.02500	2.2
131.06621	1.9
132.02211	13.8
133.02972	5.2
134.03761	40.4
135.04558	4.3
136.01663	5.6
137.02441	3.7
146.03758	2.8
147.04515	8.9
148.05322	3.2
149.02490	20.2
149.06081	10.6
150.03238	46.5
151.04005	7.6
160.01680	62.7
161.02435	5.4
161.06061	3.9
162.03340	2.4
163.03955	2.8
164.04744	5.6
165.05577	71.0
175.04010	89.4
177.01924	2.3
177.05528	3.0
178.02721	3.8
179.07121	11.0
180.04272	4.7
191.07191	5.8
193.05078	41.2
195.06638	12.8
203.07156	2.1
207.06645	3.8
235.06042	14.9
240.04303	2.5
250.06322	4.0
267.06638	2.8
269.04501	3.7
282.08920	7.8
295.06195	2.4
298.08484	4.5
310.08279	2.5
313.10657	5.5
315.12207	3.1
326.11612	3.7
337.09299	91.5
339.10455	3.0
341.10312	32.4
341.13916	3.7
343.11813	5.2
346.14200	13.3
347.14893	5.1
355.11954	3.1
357.13458	8.1
361.16553	77.5
371.11246	2.4
373.12677	3.1
389.12708	5.0
433.98148	2.2
485.14767	12.6
491.19196	3.1
503.19250	6.4
533.16553	5.5
648.76416	2.1
667.25208	3.2
699.26605	100.0
700.26917	5.8
817.30701	3.1
829.30829	4.1
847.30945	4.3
865.32843	5.7
877.31366	2.7
895.34827	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	899.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56851	2.5
69.03456	2.5
71.01396	6.7
73.02949	5.2
85.01780	2.3
85.02948	7.2
85.22129	2.0
87.00871	3.4
89.02416	2.8
93.03438	2.6
99.04013	2.2
99.54843	2.2
110.55687	2.4
114.59875	2.1
123.04523	2.4
127.04000	2.6
133.03000	3.5
159.95158	2.8
165.05717	2.4
167.05016	2.9
171.04497	2.6
187.04082	3.6
198.03189	2.6
199.03958	2.8
211.04004	6.9
213.05710	2.9
223.03970	8.6
226.02704	4.0
227.03488	6.9
239.03493	11.6
240.04211	6.9
241.05075	13.5
243.03064	3.7
251.03491	3.6
255.03009	11.4
267.03006	17.1
269.00919	5.7
269.04584	6.0
279.02966	2.9
282.01538	2.9
283.02487	9.3
284.03204	10.5
285.04050	25.5
295.02521	5.2
297.04120	4.0
303.06851	2.9
305.64325	2.7
311.02216	2.5
315.06531	3.5
323.01959	4.1
326.88016	2.8
328.07468	2.7
331.06268	3.5
343.05908	3.2
345.07629	8.9
347.05661	5.8
359.05725	2.9
372.06238	4.2
373.07144	7.1
375.04977	7.9
400.05994	5.9
401.06683	20.3
402.03738	4.2
403.04608	21.1
418.06946	5.5
419.07813	14.8
431.09671	5.0
445.05582	3.0
593.14899	17.2
753.16632	34.8
754.17267	4.4
899.22498	100.0
900.23071	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	0.7
69.18643	1.5
71.19035	0.2
74.02479	0.7
74.12138	0.2
83.01421	0.5
89.79069	0.3
92.68638	0.3
98.22626	0.6
107.01398	1.8
108.02188	1.0
109.02967	1.0
116.03576	0.3
116.05072	0.6
121.02961	1.0
125.02472	0.6
128.75925	0.3
135.00888	0.3
135.04568	0.4
148.01678	0.6
151.00388	7.2
159.09378	0.3
161.02547	0.3
163.00391	1.3
169.01424	0.3
177.56354	0.2
178.99850	4.1
183.04559	0.3
190.02740	0.3
192.00635	0.3
203.08258	0.5
211.04019	0.9
226.02699	0.7
227.03546	1.0
229.05063	0.7
243.02971	5.2
243.44089	0.2
244.03589	0.4
245.04636	0.7
245.09358	0.9
254.02213	1.2
255.03001	14.5
256.03369	0.4
271.02499	30.3
272.03027	2.1
273.04047	1.0
283.02448	0.8
285.04010	0.5
299.01868	0.8
300.02771	71.1
301.03525	27.4
301.07211	0.6
302.03967	0.6
313.03589	0.3
343.04614	0.4
412.85474	0.3
433.35452	0.3
609.14624	100.0
610.15045	5.1
876.21295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02121	0.2
63.02378	0.6
65.00365	0.4
68.62653	0.1
69.19837	0.6
69.47061	0.1
71.01379	0.3
89.02439	0.3
93.03437	0.1
98.22676	0.3
107.01396	0.8
117.03475	1.9
119.03494	0.2
133.02971	0.4
135.04553	0.2
149.02429	0.5
151.00439	0.3
152.59305	0.1
159.04512	0.7
161.02461	0.6
169.06631	0.3
178.24326	0.1
181.06596	0.3
183.04494	0.4
191.05609	0.2
196.05341	0.3
197.06067	0.5
197.46431	0.1
201.05573	0.4
224.04828	0.3
225.05582	0.9
227.03503	0.4
240.04268	0.2
254.83339	0.1
255.02959	0.2
268.03799	2.4
269.04553	100.0
270.04898	3.1
284.03299	0.1
285.04028	0.3
311.05655	0.4
321.15582	0.2
431.09836	0.2
577.15649	21.6
578.15912	1.0
899.23822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.338
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15274	3.8
70.79601	3.9
71.01393	23.0
72.73875	3.7
85.02960	5.5
89.02445	13.6
89.54287	4.0
92.04173	4.0
96.96016	5.3
101.02452	13.7
106.06612	6.8
113.02459	8.7
116.92873	4.5
122.06155	10.3
134.03729	3.7
134.06129	28.8
150.03305	5.6
151.03928	6.4
152.07210	11.8
185.32588	4.2
249.10323	9.5
250.11249	4.4
262.07535	5.6
263.08307	12.2
269.04681	5.5
272.23825	3.9
276.09027	4.8
277.09930	16.1
278.10605	43.3
279.11395	14.2
290.10614	8.0
291.11414	9.4
366.96515	4.0
410.15292	7.0
425.17310	10.0
444.19678	5.8
605.24225	6.1
616.86810	4.5
649.22748	25.4
727.29816	18.0
759.32269	9.4
771.28912	85.2
772.28571	6.7
803.16766	5.3
803.31622	100.0
899.33295	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	901.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61432	1.1
69.82507	1.8
69.82859	4.4
73.02937	4.2
83.01392	1.9
85.02986	1.2
89.02397	1.2
93.03506	1.3
100.06005	1.1
101.02474	2.5
107.01391	3.3
108.56181	1.2
117.03452	2.3
121.02924	1.6
133.02954	13.6
135.04541	8.4
145.02890	1.7
145.05077	1.8
151.00381	7.9
159.04472	1.5
161.02454	49.9
174.95663	1.5
175.03917	1.7
177.05643	2.3
178.99840	2.5
179.03516	9.7
182.67513	1.1
183.04407	1.7
185.63451	1.2
187.64841	1.4
191.05605	1.4
202.70662	1.4
221.04613	4.5
227.03510	25.7
228.03966	2.1
229.04909	1.3
243.02977	3.2
251.05611	1.9
254.02283	2.4
255.03000	39.2
256.03647	4.9
269.04611	13.8
271.02502	20.5
281.06732	3.4
283.02496	3.8
284.03296	35.6
285.04059	100.0
286.04373	4.6
299.01984	5.8
300.02750	19.5
301.03586	31.0
323.07779	2.6
431.09946	26.6
432.10083	2.6
447.09344	25.4
453.14172	2.3
469.13522	67.6
470.13806	2.6
532.00024	1.5
697.46613	1.5
739.19171	6.6
755.18268	32.3
756.18341	3.6
783.88940	1.6
901.24213	16.4
902.24078	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	901.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.9
64.58723	0.7
69.02997	0.8
69.06509	3.8
71.01379	3.2
71.44739	0.7
73.02955	6.9
74.19646	0.8
77.24241	0.9
83.01398	2.3
85.02950	2.7
85.62057	0.8
87.00867	1.1
93.03456	1.2
96.96034	1.2
101.02458	3.2
107.01398	1.5
107.05138	1.0
109.02952	0.9
117.03456	0.9
121.02956	0.8
125.02482	1.6
127.04001	1.8
132.02193	1.1
133.02971	26.2
134.03783	1.6
135.04536	15.7
136.74303	0.9
136.75319	0.7
137.02463	1.5
145.05092	2.9
149.06128	1.6
151.00392	3.4
152.01102	1.3
159.04608	0.9
161.02463	90.3
162.02776	1.7
165.34430	0.7
167.04990	0.9
168.40298	0.8
169.01416	0.9
177.01990	0.7
177.05576	3.8
178.99998	0.7
179.03514	20.0
185.06123	1.2
187.04016	1.1
201.05556	1.0
213.05571	0.8
218.92526	0.9
221.04541	7.0
227.03526	40.9
228.04001	1.1
229.05049	1.9
239.03479	1.2
241.05164	0.8
251.05624	4.0
255.03006	58.0
256.03867	5.3
256.06274	1.1
257.04535	1.7
269.04614	1.2
281.06726	6.4
282.89395	0.9
283.02408	1.6
284.03293	53.3
285.04068	99.2
286.04416	3.1
323.07730	3.0
341.08810	1.5
360.25742	0.7
431.09879	36.7
432.09937	1.1
447.09351	1.0
469.13541	100.0
470.13724	2.0
615.18359	1.2
755.18365	35.8
756.18225	1.7
901.24091	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	901.242
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
69.46053	3.6
71.01387	3.0
73.02957	5.9
83.01388	1.2
85.02969	1.9
93.03477	1.7
96.96046	1.0
98.21845	1.6
100.95132	0.8
101.02441	3.1
107.01460	0.9
107.69669	0.9
109.02955	0.9
112.98814	0.7
116.92892	1.0
117.03519	1.5
119.00174	0.7
121.02930	1.2
125.02518	1.1
125.42522	0.7
127.04034	1.7
132.02194	1.8
133.02979	23.9
134.03711	0.9
135.04546	13.6
137.02435	1.3
145.03004	0.7
145.05078	2.6
149.06143	1.0
151.00375	2.5
161.02463	82.4
162.02847	1.2
163.00377	1.0
177.05582	1.7
179.03519	18.2
185.06029	0.9
213.05518	0.9
221.04630	5.3
227.03528	26.5
228.04031	1.4
229.05133	2.2
233.04604	0.9
234.92210	1.1
251.05624	3.3
255.03014	40.0
256.03683	4.5
257.04584	0.8
271.02563	1.6
281.06747	5.4
283.02512	1.7
284.03302	40.8
285.04080	69.6
286.04480	1.7
299.01904	1.2
300.02792	1.9
301.03488	3.1
323.07721	3.4
341.08984	1.8
349.08658	0.8
431.09821	31.3
432.10165	1.2
441.44226	0.8
447.09445	1.9
455.92215	0.8
459.17773	1.0
469.13547	100.0
470.13889	4.0
493.07773	0.9
537.15295	0.9
615.19598	1.5
676.54559	0.8
755.18347	23.7
756.18280	1.6
901.24310	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	901.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02418	1.0
65.00350	0.8
65.93247	0.4
71.01389	0.9
77.19580	0.3
83.01446	0.4
93.03493	0.6
104.61758	0.4
105.03464	1.1
107.01427	1.7
115.01917	0.5
117.03487	3.5
132.02162	2.7
133.02975	50.4
134.03328	0.5
135.04561	4.3
137.24121	0.5
149.02409	0.8
151.00433	0.7
159.04538	0.9
161.02464	94.0
162.02821	1.1
179.03523	2.4
180.05684	0.5
181.06645	0.7
183.04504	0.8
191.05656	0.9
197.06053	0.6
208.60254	0.4
209.34143	0.4
225.05629	1.6
227.03517	1.8
243.06808	0.5
255.02998	1.5
256.03537	0.6
268.03781	4.6
269.04581	100.0
270.04929	2.6
284.03088	2.0
285.04034	3.6
431.09778	1.7
432.10568	0.5
570.90247	0.4
611.84473	0.4
721.19220	0.9
739.20966	19.7
740.21210	1.2
901.24109	25.2
902.24792	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	901.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	0.9
83.01396	0.9
93.03431	1.1
95.10762	0.7
107.01387	1.3
131.07144	1.2
135.04518	1.6
151.00368	2.7
159.04578	1.6
161.02512	1.5
163.00429	1.7
179.03548	0.9
183.04617	1.1
185.05948	1.1
187.04027	1.0
191.05693	1.4
198.03416	0.8
211.03999	1.6
213.05673	1.2
227.03514	22.7
229.05067	5.1
239.03625	1.6
241.05215	1.1
255.03026	43.1
256.03696	3.4
257.04556	2.7
271.02432	0.8
283.02527	19.9
284.03299	59.4
285.04074	100.0
286.04373	2.0
307.14218	1.0
326.45624	0.8
327.04898	1.2
447.09351	33.4
448.09842	0.9
593.15179	72.8
594.15656	2.7
792.91949	0.8
901.26953	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	901.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02406	1.5
63.70811	0.4
65.00340	0.7
71.01387	0.8
73.02959	0.6
85.02961	0.8
90.38232	0.3
95.01379	0.4
101.02457	1.0
107.01398	1.5
117.03487	3.0
123.13934	0.3
127.04002	0.5
135.04562	0.4
135.63770	0.3
135.81902	0.4
145.05075	0.5
149.02443	1.1
151.00377	1.1
155.05080	0.4
155.06459	0.4
159.04562	1.6
161.02434	1.6
169.06564	0.7
181.06558	0.6
183.04501	1.0
191.05670	0.4
197.06036	0.8
201.05634	0.8
203.65439	0.4
220.79121	0.3
225.05573	1.4
227.03502	1.2
255.03093	0.8
268.03796	7.0
269.04565	100.0
270.05014	2.9
284.03387	0.7
285.04092	2.2
411.08182	0.4
413.08737	0.8
431.09860	1.7
432.10104	0.4
739.21240	0.7
746.68079	0.3
755.18573	0.5
892.71729	0.4
901.26184	22.2
902.26971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	2.1
71.01385	14.2
73.02940	5.3
78.67174	1.1
85.02952	2.7
89.02442	14.3
91.85674	1.2
95.37791	1.0
97.02945	2.5
97.93407	1.1
99.00896	7.4
101.02440	3.6
109.02953	1.6
118.73087	1.3
119.05063	5.9
125.02460	6.4
130.06639	3.5
131.03682	1.6
137.02437	3.1
142.06622	1.5
144.04538	4.1
146.06122	23.4
149.04562	2.1
156.08173	1.5
158.06099	2.2
160.07721	3.8
163.04054	3.1
174.09224	3.7
181.08604	1.4
186.05644	1.8
188.07230	5.9
190.05064	1.7
191.05684	1.5
191.48450	1.2
200.07161	4.1
210.09360	1.2
218.08203	3.6
228.10298	1.8
254.08060	1.4
289.07147	2.8
327.02600	1.6
440.15497	4.9
463.03799	2.0
465.05042	2.1
572.19714	15.0
579.23389	1.4
580.23322	1.6
616.10895	3.7
616.18823	100.0
617.19141	4.8
618.19513	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	907.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80970	13.1
71.00988	3.8
71.01384	100.0
73.02979	7.2
83.01414	4.4
85.02975	27.5
89.02454	92.8
93.08313	4.0
95.01393	11.4
95.68956	3.9
101.02444	50.2
113.02460	35.7
113.58536	3.7
119.03513	43.3
121.02975	5.9
122.03735	10.9
131.50313	4.9
143.03471	6.8
149.02507	27.5
150.03223	74.4
151.03906	5.0
156.03131	4.1
161.04665	12.5
165.05582	80.9
165.81966	3.9
179.05667	19.0
180.04266	5.6
195.06647	47.7
236.19083	4.0
269.04575	15.0
285.04074	13.3
320.34912	5.1
329.11530	11.1
352.84479	4.4
355.29938	4.5
366.05814	4.6
369.13300	12.3
517.18213	25.0
531.18829	48.5
679.23743	38.4
679.66034	4.2
727.26215	59.3
735.85364	4.5
907.32635	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	907.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80970	13.1
71.00988	3.8
71.01384	100.0
73.02979	7.2
83.01414	4.4
85.02975	27.5
89.02454	92.8
93.08313	4.0
95.01393	11.4
95.68956	3.9
101.02444	50.2
113.02460	35.7
113.58536	3.7
119.03513	43.3
121.02975	5.9
122.03735	10.9
131.50313	4.9
143.03471	6.8
149.02507	27.5
150.03223	74.4
151.03906	5.0
156.03131	4.1
161.04665	12.5
165.05582	80.9
165.81966	3.9
179.05667	19.0
180.04266	5.6
195.06647	47.7
236.19083	4.0
269.04575	15.0
285.04074	13.3
320.34912	5.1
329.11530	11.1
352.84479	4.4
355.29938	4.5
366.05814	4.6
369.13300	12.3
517.18213	25.0
531.18829	48.5
679.23743	38.4
679.66034	4.2
727.26215	59.3
735.85364	4.5
907.32635	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	907.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13198	5.4
71.01392	11.4
72.40181	1.9
73.02945	5.9
79.25482	1.9
79.82484	1.7
83.01390	2.7
85.02970	8.1
86.84765	2.0
87.04516	7.0
98.21957	2.2
101.02467	6.7
109.02991	1.7
113.02453	5.5
121.02979	4.7
125.02465	3.0
126.14364	1.6
135.04559	2.3
135.08185	5.6
137.09740	28.9
147.46498	1.7
150.03235	3.1
155.10802	100.0
161.02388	1.8
169.12454	2.1
181.08740	3.5
184.28445	1.7
199.09773	27.2
213.11343	6.0
217.73030	1.9
232.22105	1.8
241.10759	7.1
255.06750	2.2
269.08069	2.6
281.08240	1.8
282.09155	2.3
283.09442	2.5
300.10110	2.0
311.09299	2.4
312.10059	2.3
314.11569	3.5
315.12393	6.4
326.11685	2.7
327.12399	4.6
329.13962	5.3
341.13943	3.6
343.13889	6.6
357.13330	2.2
458.15384	1.8
459.16864	8.4
468.68262	1.8
471.16486	2.3
473.18192	3.6
477.17828	6.0
491.19254	17.9
503.19278	17.6
521.20355	4.2
599.05377	2.1
655.27887	23.0
667.27643	19.4
673.28687	31.6
685.28662	40.2
697.29315	2.8
703.29803	29.8
715.29749	14.0
727.29730	9.2
745.31018	12.5
757.30920	2.7
787.31946	3.7
817.32819	11.8
829.33472	2.1
847.34216	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	907.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04550	1.4
69.44740	4.1
69.45147	2.9
71.01377	9.3
73.02957	6.4
83.01396	1.7
85.02962	6.7
86.38683	1.3
87.00889	1.7
87.04536	7.8
89.02435	1.8
93.03445	1.4
97.02953	1.6
98.22604	2.5
101.02428	7.6
106.21560	1.4
109.02957	1.8
113.02478	4.7
121.03009	3.4
121.19283	1.4
123.04552	1.7
125.02480	2.9
133.02931	1.6
135.04558	2.7
135.08209	7.4
137.09731	27.0
155.10799	100.0
156.11095	2.3
169.12381	3.8
173.60628	1.3
181.08798	3.0
199.09775	23.9
213.11363	5.2
223.09613	1.3
241.10883	9.2
268.07672	1.6
269.08185	3.5
281.08304	3.4
282.09061	2.9
283.12085	3.4
294.29465	1.4
295.09830	1.6
311.09396	1.8
314.11649	3.2
315.12372	3.6
326.11630	2.6
327.12344	4.1
329.13885	5.2
341.13959	3.8
343.13992	6.1
357.13409	2.0
459.16602	8.8
470.15903	1.7
471.16519	3.0
473.17981	7.0
477.17606	5.0
485.18198	2.6
488.17160	2.0
489.17761	3.4
491.19373	18.6
503.19287	15.7
521.20380	2.9
655.27625	20.9
667.27563	16.8
673.28784	31.2
685.28748	36.7
699.30542	2.0
703.29810	29.3
709.28973	1.7
715.30121	12.6
727.29773	9.3
745.30505	9.7
746.31396	1.9
757.31000	4.3
787.32813	1.8
817.32916	10.4
829.33392	3.0
847.33954	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.65
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38818	0.9
69.39223	0.6
73.02972	0.2
81.03469	0.7
83.05035	3.0
85.02965	0.5
87.42326	0.2
89.02456	0.3
93.03484	0.4
97.06583	0.4
97.92477	0.3
98.22633	0.4
101.02452	0.3
104.21921	0.2
125.09766	1.8
125.45677	0.3
127.11304	2.5
131.67055	0.2
135.04533	0.3
150.03252	0.7
155.14427	0.7
165.05602	0.7
165.12871	0.6
167.14423	1.8
171.10291	2.5
183.13927	1.1
184.62761	0.3
191.05559	0.4
193.12444	0.7
195.06653	0.4
207.15085	0.3
209.11862	2.6
211.13425	7.3
224.17674	0.4
225.16090	2.0
229.14470	100.0
230.14774	1.6
232.56731	0.3
233.19289	0.3
244.43727	0.3
285.04416	0.3
451.32968	1.2
571.50946	0.3
677.49768	37.1
678.50171	1.9
745.27032	0.6
841.35168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30292	1.3
68.50670	1.2
71.01388	83.2
72.99313	4.1
73.02955	5.9
83.01417	7.7
85.02965	21.2
87.00901	6.4
89.02454	59.4
90.23822	1.1
93.03471	3.2
95.01429	7.4
99.00883	2.4
101.01796	2.6
101.02452	39.2
108.02166	1.5
111.00929	1.6
113.02460	20.8
119.03519	19.9
121.02972	5.9
122.03737	12.0
123.04538	1.7
125.61913	1.5
131.03525	1.5
143.03523	3.2
145.50462	1.3
149.02464	24.0
149.04465	2.4
150.03246	81.9
151.03656	2.2
161.02464	2.6
161.04590	3.9
162.03191	3.2
164.04781	3.7
165.05585	72.8
166.05992	1.5
177.05557	3.6
179.03554	1.6
179.05600	8.1
180.04286	5.0
193.05103	1.5
195.06638	36.7
255.03157	1.6
269.04700	1.8
285.04056	4.1
311.09152	1.7
312.09930	3.4
313.10986	2.0
325.10736	1.9
341.10104	7.2
342.10934	2.0
356.12628	6.0
357.13358	5.8
370.10571	1.8
371.14972	5.6
385.12778	3.6
399.14719	1.8
431.09622	1.5
503.15640	13.5
518.17969	7.3
519.19867	4.7
533.20325	100.0
681.25543	90.3
682.25598	4.8
711.26105	1.6
729.27740	52.4
747.28851	3.1
861.31317	7.1
909.34021	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4862
Annotation	Ardisiamamilloside H
Peak:m/z	Relative Intensity
63.23221	3.3
67.48483	3.8
71.01382	15.4
73.02946	8.3
83.09034	3.4
85.02953	8.8
86.00099	4.6
87.00881	10.8
89.02446	9.2
98.22702	8.8
100.50693	3.8
101.02463	6.8
113.02471	5.6
194.22002	3.5
208.14597	3.5
223.18826	3.6
469.33316	21.2
583.36053	4.1
601.37628	15.3
604.27026	3.9
636.13550	4.8
747.43097	5.4
909.48486	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	911.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89760	0.8
65.03946	0.7
69.03453	3.0
71.01389	32.6
71.44003	0.8
72.99300	0.7
73.02957	3.9
75.00877	1.4
81.03448	1.1
83.01411	2.2
83.05037	20.1
85.02964	7.5
87.00887	6.5
87.04513	1.2
89.02454	33.4
93.03478	4.7
95.01398	2.2
95.05052	1.2
99.00875	1.1
101.02452	37.4
108.02179	1.9
109.02962	6.0
111.00885	2.8
111.04531	20.1
112.01687	1.2
113.02460	28.3
119.03515	16.1
123.00875	2.9
123.04518	5.0
125.02488	1.1
127.04031	1.3
129.01984	1.2
131.03511	9.5
133.05048	2.1
135.04532	1.2
137.02451	13.8
138.03232	2.4
141.05603	1.2
143.03540	1.8
149.04549	1.3
151.03990	1.1
153.05544	1.6
155.03517	9.3
161.04567	5.2
167.03485	3.2
173.04582	2.4
178.65648	0.9
179.03581	1.9
179.05608	12.6
182.02220	3.2
185.04559	1.5
197.04550	5.9
275.07773	22.4
293.08817	100.0
294.09174	1.9
317.08786	61.1
318.09097	2.0
327.59314	0.8
329.08649	1.1
331.97076	0.9
335.09781	3.1
347.09875	24.0
359.09924	1.6
365.10794	5.1
377.10861	11.8
395.11926	9.6
437.13120	1.0
455.13251	1.0
473.95032	0.9
539.38904	0.9
720.17133	1.0
748.87341	1.0
866.00098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00927	3.3
69.29081	14.8
71.01386	3.7
83.02553	3.3
93.03465	17.6
96.00925	63.0
96.96018	3.4
97.00544	3.2
97.02957	3.1
101.02464	4.8
110.31126	3.2
111.02007	22.1
112.02755	3.2
113.03554	19.2
113.07227	12.9
115.08784	16.1
116.05058	8.8
117.03418	3.4
118.06639	6.4
119.05029	45.0
121.02985	25.8
131.03795	4.2
132.04562	11.4
133.02988	4.4
133.05353	13.5
134.06134	36.2
135.04517	7.8
141.06711	100.0
144.04572	4.6
146.06143	4.7
150.03145	3.6
152.08310	4.8
154.07487	14.1
155.08278	20.0
160.04086	10.0
161.07277	4.2
162.05661	4.7
163.04033	17.2
166.06276	3.4
167.08284	13.3
180.06667	32.1
186.05460	4.9
187.05099	8.2
188.07176	13.1
188.10872	3.2
191.05519	4.6
200.05899	10.5
211.07216	9.2
214.05127	5.2
215.11852	7.8
217.13611	3.8
231.07700	7.3
234.61528	3.1
235.14557	7.4
240.11432	14.8
243.11356	9.4
258.09879	3.1
258.12457	20.6
259.11023	18.6
261.12436	10.5
279.13678	6.0
305.11581	10.9
312.13333	3.7
329.13910	6.9
355.14047	5.5
440.18274	30.3
537.20380	5.5
544.96863	4.3
554.22534	4.4
626.16241	3.5
637.67346	3.6
699.28009	12.9
716.13702	3.9
767.78741	3.6
796.33234	64.8
894.31390	4.4
905.20374	3.4
911.35895	82.4
912.36194	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	911.5016
Annotation	Tomentoside B
Peak:m/z	Relative Intensity
64.79931	0.5
69.03465	1.0
71.01387	29.1
71.44495	0.5
72.99301	1.4
73.02954	8.4
81.03466	2.9
83.01392	3.3
83.05032	1.3
85.02956	15.4
87.00888	3.7
89.02453	20.1
95.01399	2.1
97.02953	1.0
97.30291	0.5
99.00887	0.9
99.04525	2.4
101.02445	13.8
103.04028	1.4
108.02147	0.8
109.02972	2.9
113.02470	5.1
115.03989	1.1
116.43456	0.5
119.03488	4.1
125.02462	0.8
127.04030	5.7
131.03476	3.4
143.03517	0.8
145.05092	3.0
149.04587	1.1
161.04596	0.5
173.15152	0.4
179.05659	1.0
205.07135	0.8
216.45067	0.5
251.23463	0.5
320.15976	0.6
388.01474	0.5
423.32748	6.7
439.32123	1.7
469.33047	0.6
471.34833	29.5
472.35065	1.6
487.56693	0.6
525.35870	0.7
585.37988	8.1
603.39160	21.0
604.39362	1.3
731.43481	1.3
749.32349	1.1
749.44812	9.7
911.50171	100.0
912.50470	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	911.5018
Annotation	Macranthoside A
Peak:m/z	Relative Intensity
64.24364	0.8
64.35356	0.7
68.59159	0.6
70.97778	1.2
71.01390	26.9
72.99313	1.6
73.02950	6.8
73.53368	0.7
81.03460	3.3
83.01383	3.0
83.05010	1.3
85.02954	14.9
87.00877	3.2
87.04526	0.9
89.02457	19.2
95.01441	1.4
97.02988	0.8
99.04527	1.8
101.02457	13.0
103.03960	0.9
109.02961	3.6
113.02480	5.5
115.04001	0.8
119.03514	3.8
127.04017	5.8
131.03514	3.3
145.05069	2.9
187.50389	0.8
195.36478	0.8
216.59308	0.8
331.88306	0.9
423.32703	6.1
439.32092	1.5
469.33426	1.0
471.34842	28.1
472.35117	1.8
578.33331	0.7
585.37909	8.7
603.39191	18.9
604.39880	0.9
731.43640	1.6
749.44995	6.4
808.14539	0.9
911.50177	100.0
912.50482	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	911.5015
Annotation	Macranthoside A
Peak:m/z	Relative Intensity
64.82454	2.1
70.34656	3.7
70.34988	2.9
71.01390	24.6
71.05022	4.1
71.45555	2.2
73.02937	6.3
78.64412	2.1
81.03408	2.3
83.01388	2.9
85.02941	16.0
89.02470	10.9
101.02439	15.3
109.02991	3.0
113.02422	5.1
119.03489	3.5
131.03508	3.5
144.99702	2.0
205.80679	2.4
226.82629	2.5
296.95865	2.3
423.32706	2.4
471.34818	30.0
529.16431	2.2
585.37842	6.0
603.38708	14.1
911.50098	100.0
912.50745	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	911.6263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54728	0.2
70.47346	0.3
70.47690	0.3
92.42566	0.2
99.77007	0.3
113.09734	0.9
131.82677	0.2
145.21405	0.2
177.12762	0.2
179.14400	0.5
183.10268	1.5
195.13919	11.5
265.52762	0.3
277.21738	9.8
278.22128	0.2
283.06396	0.2
295.22806	100.0
296.23135	2.2
310.19189	0.2
453.33810	6.5
491.32477	0.3
521.46790	0.2
604.32892	0.2
654.07990	0.3
663.10278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.221
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99151	0.3
71.01389	4.5
72.99320	0.5
73.02943	0.6
75.00872	1.2
83.01409	0.8
85.02963	5.6
87.00879	0.9
89.02446	0.7
93.03452	0.8
93.68201	0.3
95.01402	2.0
99.00893	2.1
103.00386	1.5
105.68861	0.3
107.01373	0.9
113.02460	9.6
113.03257	0.5
115.00349	0.3
117.01984	0.5
117.03499	0.5
129.01942	0.4
131.05054	0.3
133.02971	0.5
135.00914	0.3
145.02960	1.7
145.06451	0.2
151.00394	1.7
159.04491	0.6
161.02539	0.4
161.06010	0.4
163.00403	0.7
163.03995	0.4
169.06638	0.7
171.04504	0.3
173.02336	0.3
174.04857	0.3
175.02490	3.2
185.06136	1.1
187.04007	0.8
194.13802	0.3
205.04951	0.3
211.03996	0.7
213.05608	0.4
214.02634	0.3
227.03476	0.8
229.05098	1.1
239.03569	0.7
241.05051	0.6
243.03029	0.6
252.87608	0.3
255.02995	0.8
257.04550	1.0
269.04584	0.5
271.02460	0.7
284.03378	0.8
285.04068	100.0
286.04410	3.0
296.02570	0.3
299.02249	0.3
300.02814	1.3
339.05151	0.3
431.09940	0.8
453.14011	2.8
457.09534	0.3
461.07159	1.0
463.08984	2.3
546.01764	0.3
629.14868	0.3
739.18896	3.6
740.19336	0.5
769.19086	0.4
915.22278	1.8
916.23218	0.3
928.39154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	12.4
71.44943	2.6
85.02956	9.0
87.00896	5.7
91.26392	2.2
95.01333	2.7
96.96044	5.6
99.00885	20.3
113.02453	7.7
117.03475	7.6
125.02546	2.2
133.02975	22.5
135.04541	41.2
137.02515	3.0
147.04477	4.6
149.02454	2.7
151.00377	4.0
157.01459	4.2
161.01112	3.1
161.02448	56.2
165.05611	3.3
175.02512	6.4
179.03542	26.2
191.05640	2.5
203.63690	2.9
225.05640	2.9
227.03549	5.4
235.03540	2.4
255.02969	8.8
268.03360	3.0
269.04578	100.0
270.04987	5.4
271.02386	6.9
283.02408	10.1
284.03271	8.7
285.04044	69.7
286.04294	3.9
299.01999	12.6
337.05679	9.5
431.09778	5.9
447.09348	12.6
461.06281	2.9
467.11389	3.7
483.13153	4.1
491.58316	2.5
577.15918	3.7
593.14441	3.3
643.82050	2.7
645.16888	35.0
723.14655	2.8
735.18292	4.7
739.19733	3.0
753.18787	9.2
769.16010	5.4
915.21716	12.1
937.11768	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	915.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	12.4
71.44943	2.6
85.02956	9.0
87.00896	5.7
91.26392	2.2
95.01333	2.7
96.96044	5.6
99.00885	20.3
113.02453	7.7
117.03475	7.6
125.02546	2.2
133.02975	22.5
135.04541	41.2
137.02515	3.0
147.04477	4.6
149.02454	2.7
151.00377	4.0
157.01459	4.2
161.01112	3.1
161.02448	56.2
165.05611	3.3
175.02512	6.4
179.03542	26.2
191.05640	2.5
203.63690	2.9
225.05640	2.9
227.03549	5.4
235.03540	2.4
255.02969	8.8
268.03360	3.0
269.04578	100.0
270.04987	5.4
271.02386	6.9
283.02408	10.1
284.03271	8.7
285.04044	69.7
286.04294	3.9
299.01999	12.6
337.05679	9.5
431.09778	5.9
447.09348	12.6
461.06281	2.9
467.11389	3.7
483.13153	4.1
491.58316	2.5
577.15918	3.7
593.14441	3.3
643.82050	2.7
645.16888	35.0
723.14655	2.8
735.18292	4.7
739.19733	3.0
753.18787	9.2
769.16010	5.4
915.21716	12.1
937.11768	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	915.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47846	0.2
65.00332	0.8
69.21210	1.1
71.01392	1.7
73.02924	0.3
75.00880	1.1
83.01408	0.3
84.02245	0.2
85.02966	1.8
87.00879	0.4
89.02442	0.4
93.03468	0.5
95.01376	0.5
97.02958	0.3
98.21777	0.5
99.00883	0.8
101.02445	0.3
107.01403	1.7
109.02985	0.3
113.02440	1.3
117.03473	3.9
127.04032	0.6
135.04555	0.6
143.42336	0.3
149.02498	1.3
151.00400	0.4
159.04539	1.4
161.02475	1.2
169.06729	0.5
175.02408	0.3
181.06586	0.3
183.04533	0.7
191.05641	0.3
196.05217	0.3
197.06085	0.6
201.05632	0.4
225.05649	1.5
227.03468	0.7
268.03799	0.4
269.04565	100.0
270.04892	2.7
285.04102	1.0
411.80859	0.2
441.18491	0.3
447.09253	0.4
455.32178	0.2
602.46637	0.3
645.19043	1.5
915.24127	10.3
916.25555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2578
Annotation	Kaempferol 3-ferulylrobinobioside-7-rhamnoside
Peak:m/z	Relative Intensity
65.00331	0.3
65.02709	0.3
73.02934	0.4
74.63696	0.2
83.01372	0.4
89.15403	0.3
93.03467	1.1
96.96011	0.4
101.02457	0.4
107.01418	0.9
125.02488	0.4
132.02214	0.5
133.02945	0.7
134.03743	0.3
135.00938	0.3
135.04524	0.5
137.02440	0.3
141.58852	0.3
143.04984	0.6
149.02422	0.3
150.03287	0.3
151.00374	1.7
151.03915	0.3
157.06650	0.2
159.04512	0.4
160.01675	1.3
161.02473	0.5
163.00366	0.4
165.02019	0.3
165.05579	0.4
169.01384	0.2
169.06635	0.4
171.04578	0.4
175.02638	0.3
175.04004	1.4
179.03511	0.3
183.04512	0.7
185.06076	0.6
187.04083	0.5
193.05066	0.5
201.05217	0.3
211.04080	0.8
213.05595	0.8
214.02728	0.4
215.03513	0.4
227.03528	22.8
228.03860	0.7
229.05061	1.0
239.03630	0.5
240.04366	0.5
241.05165	0.4
243.03081	0.4
255.03004	31.6
256.03732	3.8
257.04581	0.6
283.02502	3.8
284.03302	37.9
285.04071	100.0
286.04388	2.6
327.05157	0.5
431.09872	67.9
432.10168	3.0
469.13226	0.4
483.15204	3.2
690.55554	0.3
769.19916	3.1
851.72162	0.3
901.70935	0.4
915.25342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2357
Annotation	Kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]
Peak:m/z	Relative Intensity
70.76975	1.2
71.01357	1.8
73.02979	1.2
81.03453	1.0
83.01360	0.9
85.02950	1.9
93.03455	2.6
99.00891	0.9
99.39723	0.8
107.01400	2.4
109.02940	2.5
117.03460	2.1
121.02993	0.8
122.95559	0.8
125.02463	2.5
127.04003	2.0
132.02177	2.4
133.02965	28.3
134.03728	2.9
135.00850	0.9
135.04552	16.2
137.02425	1.6
143.05016	1.5
145.05103	0.8
148.05266	0.9
149.06081	2.3
151.00389	4.3
159.04466	2.5
160.01630	1.2
161.02460	72.8
162.02928	1.4
163.00389	2.5
165.01997	0.9
169.06616	1.1
171.04549	1.8
175.03999	1.6
177.01985	1.0
177.05592	5.0
178.02698	1.2
179.03510	17.9
185.06044	2.4
187.03986	3.7
189.05586	1.2
196.63893	0.9
197.05972	1.2
199.03966	1.0
201.05595	1.1
203.03523	3.2
211.04022	2.3
212.04761	0.9
213.05609	2.8
215.03580	0.8
221.04584	7.2
227.03516	14.8
228.03938	1.4
229.05075	11.3
239.03543	1.9
240.04401	1.1
241.05058	1.8
251.05614	3.8
255.03006	22.3
256.03546	3.7
257.04587	6.3
281.06702	8.2
283.02466	1.1
284.03275	26.2
285.04065	100.0
286.04352	7.7
287.04367	1.7
323.07813	2.2
341.08932	4.1
383.09802	1.3
431.09778	3.1
432.10114	2.7
433.10098	1.9
469.13318	2.5
529.15631	17.6
571.16809	6.4
631.18842	50.9
632.18390	2.6
755.20380	32.9
755.34192	1.0
917.23541	20.3
918.24396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18672	1.1
70.21783	1.9
73.02962	5.0
83.01399	1.9
85.02953	2.4
89.02481	0.9
93.03469	1.3
94.54110	1.0
101.02448	1.1
107.01395	3.6
117.03510	1.8
127.03989	2.5
133.02975	21.1
134.03725	1.4
135.04541	15.3
137.02457	1.1
145.05096	2.1
151.00426	8.6
161.02466	78.0
162.02887	1.5
162.81412	0.9
163.00391	1.7
177.05644	2.9
178.99866	2.1
179.03505	18.9
185.06079	1.5
186.97386	1.3
211.03949	1.5
221.04654	5.0
227.03519	46.1
228.03928	1.4
229.05087	1.7
239.03641	1.1
243.02957	1.7
251.05600	2.9
255.03001	66.8
256.03726	6.4
260.67075	1.2
271.02490	4.6
281.06656	5.6
283.02499	2.0
284.03299	67.3
285.04083	100.0
286.04398	3.3
299.01981	1.3
300.02698	6.1
301.03519	6.8
323.07706	4.0
327.05136	1.2
447.09372	68.8
448.09705	3.3
469.13525	98.9
470.13950	2.3
631.18982	3.9
755.18359	51.1
756.19238	2.2
771.17822	1.8
917.24304	9.4
918.23584	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	917.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	0.8
71.01391	0.8
72.28681	0.2
78.97552	0.2
81.59366	0.3
85.02972	0.8
89.02465	0.6
101.02450	0.4
105.03470	0.6
106.62794	0.3
107.01382	1.4
113.02457	0.9
117.03481	3.3
132.02167	1.8
133.02974	23.6
135.04564	1.4
149.02493	0.7
151.00368	0.7
159.04536	0.8
161.02463	45.0
162.02789	0.7
169.06586	0.4
179.03471	0.7
181.20137	0.3
183.04556	0.6
196.05304	0.2
197.06131	0.7
201.05559	0.4
203.03650	0.3
225.05591	1.1
227.03462	0.7
268.03815	5.4
269.04568	100.0
270.04932	2.7
285.04022	0.4
295.45367	0.3
379.77905	0.3
413.08890	0.4
421.09174	0.6
431.09943	2.1
437.96887	0.3
528.87231	0.3
647.18488	0.5
755.20404	30.1
756.21143	1.7
871.98401	0.3
917.23553	10.5
918.25098	0.6
932.02863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13625	0.4
65.00338	0.7
83.01383	0.9
93.03485	1.1
107.01410	1.6
109.02955	0.7
117.03478	0.6
124.39941	0.4
135.00885	1.0
143.05031	0.6
151.00407	2.8
153.01949	0.6
163.00404	1.6
164.01205	0.6
165.01894	0.6
169.06560	0.8
171.04567	0.4
174.03371	0.4
183.04584	0.9
185.06090	2.1
187.04036	1.5
189.05605	0.6
191.05667	0.7
195.04439	0.5
197.06204	0.5
199.04051	0.6
201.05734	0.5
211.04008	1.6
213.05573	1.3
227.03510	8.7
229.05077	7.3
239.03481	1.3
240.04308	0.6
241.05060	1.1
255.03004	22.1
256.03754	1.9
257.04602	4.1
267.03040	0.8
269.04599	0.7
271.02591	0.6
283.02496	18.1
284.03284	21.2
285.04065	100.0
286.04480	2.8
297.04001	0.6
299.05536	0.5
301.03644	0.8
327.05048	1.4
330.38486	0.4
424.70959	0.4
446.08777	1.0
447.09601	2.7
755.20453	78.0
756.20917	3.8
917.24994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	100.0
83.56709	33.5
83.68015	29.0
84.95100	30.4
85.02969	49.6
92.22805	34.0
94.76949	31.3
98.21811	83.5
114.02869	34.8
121.02930	49.5
133.03023	36.4
135.04485	45.1
160.04097	44.9
161.02472	80.4
269.08035	36.3
269.10974	35.2
285.04062	56.1
491.18710	56.7
492.19739	51.1
493.19598	50.7
494.20291	54.0
504.19958	70.0
505.19965	74.5
534.21759	41.1
583.88605	41.0
696.05511	44.1
937.06433	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70634	0.3
65.00317	0.4
69.77348	0.3
69.77679	0.8
83.01378	0.5
93.03477	0.9
98.22724	0.3
104.73695	0.3
107.01386	1.0
109.02951	0.3
117.03475	1.7
119.05049	0.5
125.02447	0.7
137.02502	0.7
143.05060	0.4
145.02979	3.2
151.00352	1.7
157.06657	0.4
159.04460	0.4
163.00412	0.6
163.04054	0.7
164.01259	0.5
169.06548	0.8
171.04507	0.4
185.05994	0.5
187.04016	0.6
195.06625	0.3
197.06061	0.4
200.59732	0.3
211.03987	1.0
213.05608	0.6
215.03671	0.3
227.03510	26.5
228.03983	0.5
229.05046	1.1
239.03447	0.4
241.05077	0.4
243.03036	0.5
255.02995	35.8
256.03699	3.1
257.04474	0.5
283.02567	3.2
284.03284	33.9
285.04056	100.0
286.04440	1.8
301.10837	0.3
327.05188	0.7
453.14081	5.5
457.64670	0.3
473.10907	61.2
474.11414	1.5
630.12000	0.3
739.18890	7.2
927.25562	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	927.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00343	1.0
66.35113	0.4
69.41423	2.3
79.24052	0.4
79.42272	0.5
83.01401	0.5
93.03477	1.1
107.01403	1.5
117.03493	0.8
125.02410	0.5
125.93893	0.6
137.02446	0.5
138.73404	0.5
149.60947	0.5
151.00407	2.7
151.13077	0.6
153.02032	0.5
159.04549	0.8
163.00409	1.3
165.01904	0.5
171.04520	0.5
175.03972	0.7
178.99944	0.5
183.04553	1.8
185.02524	0.5
185.06171	1.1
187.04016	1.1
189.05585	0.8
211.03989	2.2
213.05624	0.6
227.03529	14.3
229.05109	4.1
239.03590	1.4
251.14340	0.5
255.03020	46.6
256.03696	2.7
257.04672	2.9
281.04279	0.5
283.02515	35.2
284.03275	41.7
285.04071	81.6
286.04419	1.9
299.05667	1.7
327.05035	1.6
427.48099	0.5
593.15192	100.0
594.15515	3.6
635.16187	1.4
664.10883	0.6
776.19031	0.6
797.21661	4.8
917.51862	0.6
927.27643	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	927.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22433	7.4
69.22849	3.7
71.01389	30.5
71.05021	2.0
73.02953	6.7
81.03487	2.2
83.01384	2.5
85.02960	11.9
87.00883	2.8
89.02446	15.8
95.01397	1.9
99.04547	1.7
101.02462	13.6
109.02994	2.4
113.02455	6.8
116.92891	3.3
119.03526	3.8
127.04038	5.0
131.03488	3.1
145.05049	2.6
151.04039	1.9
180.86697	1.6
241.42567	1.7
270.29465	1.7
329.88492	2.0
439.32065	6.1
487.34409	23.6
533.91589	1.7
545.34088	2.0
601.37915	8.7
619.38562	14.2
765.44800	6.8
927.49725	100.0
928.50073	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	927.4964
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
70.99635	2.3
71.01391	21.9
73.02966	4.0
81.03462	3.4
83.01408	3.0
85.02950	10.5
87.00883	2.0
89.02454	13.0
95.01453	2.0
96.86311	1.5
96.95995	2.8
99.04515	2.0
99.19650	1.7
101.02457	10.4
113.02427	6.2
115.04034	2.0
116.92879	9.3
120.85464	1.6
127.04021	3.8
131.03505	3.8
142.07156	1.5
145.05009	1.5
145.84552	1.6
439.32193	6.1
487.34567	12.6
601.37299	4.9
619.38556	5.7
676.06171	1.7
765.44556	2.4
927.49573	100.0
928.50012	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	930.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68082	1.3
71.42169	1.8
81.03453	2.0
83.01391	5.5
87.89828	1.6
95.05035	2.5
97.02951	3.9
99.52959	1.4
107.05048	2.4
109.02956	20.4
121.02986	1.5
122.03741	1.8
123.04528	14.0
124.39326	1.3
125.02456	100.0
133.02994	5.6
135.04608	2.5
137.02477	20.8
139.04008	3.6
149.02425	5.6
150.03127	1.6
151.04012	13.6
159.04517	3.6
161.02461	28.3
161.06075	5.2
162.03168	1.9
163.04053	3.6
164.01132	2.8
165.01920	5.9
167.03563	2.2
169.69955	1.5
175.04002	12.4
177.01932	7.3
177.05583	1.9
179.03485	6.8
187.04016	5.7
188.04825	2.6
189.05638	1.4
191.05547	1.6
195.17052	1.6
198.38652	1.3
201.05544	1.7
202.06400	1.9
203.07127	10.1
205.01465	1.8
205.05070	7.6
217.05132	2.2
227.03430	2.1
227.07156	2.0
229.05096	4.2
230.05542	1.3
231.02887	1.8
243.02904	4.9
245.04602	6.6
245.08205	15.4
255.02962	10.4
256.03751	5.7
257.04407	1.4
269.04700	2.1
273.04031	4.8
281.04556	4.8
285.04025	4.7
287.05688	14.9
289.07214	58.1
292.98944	1.6
299.05475	8.2
339.08719	6.5
381.09735	1.9
407.07755	68.7
408.08267	3.2
425.08820	77.8
426.08853	3.0
451.10376	17.3
559.12805	2.8
577.13550	62.8
577.76221	1.8
578.13519	3.4
646.46539	1.5
693.96625	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00351	0.7
69.27213	1.7
71.01380	4.9
73.02956	3.2
75.00888	1.0
75.50415	0.4
85.02956	6.2
87.00875	1.5
89.02442	0.8
93.03476	1.2
95.01385	2.0
99.00892	1.8
101.02447	0.8
103.00371	0.6
107.01418	1.6
109.02945	0.7
113.02465	5.7
117.03461	0.5
123.04610	0.5
123.24556	0.5
125.21019	0.5
127.04037	1.1
129.01982	0.7
133.02979	11.5
134.03645	0.6
135.04556	7.1
137.02440	0.5
143.05002	0.6
145.02942	0.5
145.05092	1.6
149.06143	0.5
151.00336	2.5
159.04562	0.7
161.02463	41.5
162.02837	0.8
163.00403	0.8
165.01976	0.6
167.41679	0.5
169.06549	0.7
175.02475	1.5
177.05569	2.3
179.03516	8.4
185.06108	1.4
187.03999	1.5
189.05653	0.5
203.03413	0.5
211.04013	0.7
213.05626	0.9
214.02774	0.8
221.04617	2.5
227.03493	1.5
227.18425	0.5
229.05077	3.1
239.03514	1.1
241.05023	0.9
251.05627	1.3
255.03061	1.0
256.43198	0.6
257.04684	2.3
271.02371	0.7
281.06638	3.5
284.03235	1.2
285.04080	100.0
286.04416	2.6
293.66330	0.5
299.01944	0.7
323.07794	1.4
341.08994	0.8
461.07300	2.1
469.13541	40.8
470.13858	0.9
473.51315	0.5
706.55182	0.6
755.18323	25.1
756.18646	1.9
769.17365	2.2
931.21851	8.4
932.22089	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00367	0.3
68.63792	0.4
69.15841	2.0
69.16248	0.7
72.57596	0.4
72.67609	0.4
83.01413	0.6
85.02943	1.1
86.21468	0.3
87.00887	0.7
93.03479	0.8
97.69021	0.4
98.22633	0.9
107.01421	1.1
108.02209	0.4
113.02476	1.6
125.02467	0.5
131.60683	0.4
133.02983	4.7
134.03688	0.4
135.04509	1.9
136.01712	0.4
148.01669	0.4
151.00414	3.0
153.01912	0.4
159.04536	0.6
160.01683	1.2
161.02470	16.5
162.02754	0.5
163.00412	0.5
171.04495	0.7
175.02579	0.6
175.04044	1.3
178.99896	0.6
179.03566	1.4
183.04607	0.4
185.06073	0.9
187.04008	0.8
191.03473	0.4
211.04065	0.6
213.05569	0.5
227.03520	23.5
228.03972	0.6
229.05090	1.0
239.03751	0.4
241.05017	0.4
255.03011	34.7
256.03717	3.7
257.04565	1.0
271.02481	0.8
283.02563	3.7
284.03302	37.3
285.04074	100.0
286.04321	2.9
299.02173	0.6
301.03448	0.7
327.05212	1.1
337.05634	4.8
431.10062	0.6
447.09369	73.4
448.09583	2.7
455.43045	0.5
457.56204	0.4
469.13663	1.8
470.14142	0.6
483.15170	2.5
499.14566	1.0
623.10956	2.0
755.18036	1.2
769.19916	3.9
785.20520	0.6
931.22534	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	933.2313
Annotation	Quercetin 3-(6''''-p-coumarylsophorotrioside)
Peak:m/z	Relative Intensity
65.00328	4.3
65.26945	0.9
69.30419	2.1
69.30824	2.9
69.92084	0.9
71.01386	1.1
73.02937	2.3
78.26077	0.9
83.01381	3.2
85.02940	2.0
85.96901	0.8
92.72495	0.9
107.01391	8.3
108.02211	0.9
109.02946	1.7
113.02448	1.3
121.02937	5.0
123.91802	1.0
125.02386	1.0
132.02045	1.4
133.02985	12.7
134.03700	1.2
135.00836	1.2
135.04543	6.6
136.25069	0.9
149.02408	1.0
150.12418	0.7
151.00374	31.5
161.01102	1.8
161.02455	34.4
162.02875	1.1
163.00391	2.9
164.01135	1.2
169.01424	2.1
170.93938	0.9
175.04039	0.9
177.05547	1.3
178.99878	18.6
179.03484	6.6
183.04477	1.3
187.03915	1.2
188.04681	1.0
192.00603	1.0
199.04042	1.9
202.02704	1.0
216.04091	1.3
221.04567	1.2
226.02614	5.9
227.03459	4.4
229.05139	1.4
243.02985	14.8
245.04651	1.1
254.02274	5.9
255.00447	1.1
255.02995	12.8
256.03522	1.0
271.02509	81.2
272.03094	4.5
273.03973	1.2
281.06491	1.6
283.02353	2.6
284.03259	0.8
285.04022	11.8
286.04318	3.8
287.04730	1.5
299.01984	13.5
300.02771	100.0
301.03546	99.5
302.03833	2.5
323.07571	1.0
342.73645	0.9
343.04587	1.8
463.08875	56.1
464.08777	1.1
469.13522	10.2
470.13858	1.3
471.13992	1.2
472.42188	0.9
581.73859	1.0
609.14441	6.6
697.91199	1.1
753.15771	1.1
771.18085	50.4
772.18866	2.5
844.70007	0.9
933.23010	45.2
934.23328	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	935.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13267	7.4
69.13679	13.0
71.01371	5.2
85.06612	7.3
93.03457	5.9
96.96036	5.6
101.02529	3.5
121.02979	3.6
122.03748	13.6
133.02974	4.4
135.04617	4.1
136.01688	5.3
137.02422	5.9
139.04060	8.1
142.16353	3.1
146.03746	9.7
149.02420	12.8
150.03244	78.9
151.00385	3.4
151.04037	6.6
161.02429	3.6
164.04744	7.3
165.05591	100.0
166.02759	7.9
177.02020	2.8
179.07137	6.2
180.04283	8.9
181.05135	16.3
189.05615	4.9
190.06300	5.3
195.06642	66.1
221.08199	4.3
277.70877	3.3
282.05276	5.3
297.07803	7.2
309.07849	4.4
311.09485	4.5
312.10001	5.0
324.09827	3.2
327.12509	14.5
339.12582	3.7
342.11063	12.0
357.13449	31.0
387.14560	13.5
405.15875	3.4
477.17743	13.7
553.21252	5.1
565.21210	6.9
583.21820	47.8
601.22803	18.2
625.22961	4.5
727.25562	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	935.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13497	0.9
67.58785	0.9
70.61628	1.0
71.01392	2.9
73.02924	1.2
80.91685	1.6
81.03455	1.4
85.02953	1.1
85.06627	6.6
85.14798	1.0
88.98808	1.5
93.03455	4.0
96.96000	1.5
98.21890	3.0
101.02483	1.7
108.02198	4.3
109.02995	3.1
113.02515	1.5
113.06153	1.4
115.04045	2.5
115.51871	1.0
121.02998	7.5
122.03753	15.0
123.00916	1.9
123.04509	4.9
124.01702	3.5
133.02992	3.0
134.03688	1.2
135.04529	5.4
136.01672	8.5
137.02440	2.5
139.04048	6.9
143.05020	1.5
145.02951	1.6
146.03769	3.0
149.02464	24.6
149.06126	1.5
150.03241	91.1
150.90109	1.2
151.00374	5.7
151.04008	10.9
159.04514	1.2
160.05301	4.4
160.06482	1.2
161.02452	2.1
161.06070	5.7
163.04065	1.0
164.04851	4.9
165.05589	82.1
166.02721	13.6
171.04590	1.3
172.05325	8.7
173.02481	2.7
173.06081	1.9
174.03249	1.4
175.04021	3.4
175.07645	1.7
176.04802	1.2
177.05534	1.6
179.03525	2.9
179.07187	1.1
180.04292	6.1
181.05081	21.6
182.42313	1.2
187.03856	1.2
187.07666	2.4
189.05588	18.3
190.06358	17.9
191.03539	4.1
191.07114	1.2
195.06644	30.1
205.05009	3.7
205.08708	4.2
206.05884	3.0
221.08180	7.7
239.03603	1.4
243.03917	1.3
251.09265	2.2
253.05037	1.3
255.03374	1.1
257.12988	1.3
266.05774	3.6
267.06494	1.4
269.08136	1.2
282.05392	13.4
294.05280	2.6
296.06989	1.9
297.07706	15.5
301.12009	2.1
309.07690	4.2
311.09302	2.6
312.06747	2.2
312.10022	10.5
313.10660	1.4
314.08063	1.3
324.09897	2.9
326.11581	1.8
327.08685	2.8
327.12357	22.6
329.10260	5.1
339.12332	1.9
342.11111	10.4
356.12552	2.4
357.13483	49.6
358.13577	1.3
369.13501	2.2
375.14566	4.9
386.13550	1.8
387.14627	9.4
405.15494	5.3
429.15640	5.1
439.86154	1.1
447.16437	1.4
474.94199	1.2
477.17636	20.8
505.18967	4.6
517.18719	2.5
535.19708	21.5
535.67438	1.4
553.20807	4.1
565.20715	7.3
577.21088	1.7
583.21906	100.0
584.22552	1.9
601.13306	2.5
601.22974	49.9
602.23419	1.2
625.22656	4.9
643.24060	3.1
727.26270	4.1
745.26971	3.1
763.27844	1.5
787.28479	1.6
805.29169	3.5
956.81366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19692	2.3
67.58279	2.3
69.70456	11.3
71.01363	3.5
73.02953	4.9
82.34385	2.6
84.97037	2.7
98.21883	4.7
109.03038	2.4
133.02974	21.6
134.38643	2.7
135.04514	12.1
137.02475	2.7
145.05141	3.4
150.03227	6.3
151.00380	4.3
161.02460	79.7
165.05576	6.2
166.02742	3.5
177.05467	3.1
179.03523	18.1
181.05110	4.7
191.05476	2.8
221.04518	5.8
227.03525	38.6
229.05023	3.1
255.03032	45.6
256.03494	8.8
281.06790	4.9
283.02542	4.3
284.03308	45.8
285.04074	100.0
431.09830	38.4
469.13568	64.8
470.81760	2.6
565.21222	4.9
582.46307	3.3
613.23102	13.8
755.18323	46.3
901.23767	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	939.4967
Annotation	Sessiloside
Peak:m/z	Relative Intensity
69.03455	0.8
69.79998	0.8
70.54628	0.3
71.01026	0.4
71.01389	4.1
71.04654	0.4
71.05025	3.7
73.02950	5.1
83.01388	1.5
85.02965	1.7
87.00882	1.2
87.04525	0.4
89.02462	0.8
90.07972	0.3
95.01404	0.4
97.02975	2.3
99.49748	0.3
100.61864	0.2
101.02450	13.6
103.04014	0.6
113.02469	1.6
115.04016	1.0
119.03487	0.7
125.02473	4.0
131.03511	0.9
134.97697	0.3
143.03537	2.8
145.05101	0.5
152.16609	0.3
161.04576	7.6
163.06136	3.2
205.07208	1.9
221.06625	1.1
247.08238	4.5
265.09375	0.5
323.09915	2.0
325.11240	0.7
351.26996	1.4
367.12466	3.3
388.53613	0.3
405.31424	0.4
409.13434	1.0
409.31131	0.4
421.31241	0.6
423.32663	2.3
425.34183	0.4
439.32144	1.8
451.14713	0.4
455.32098	0.3
467.31711	0.6
469.15683	11.1
469.33261	100.0
470.33612	4.2
746.60406	0.3
772.64502	0.3
939.49731	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	939.6432
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12062	3.6
71.01365	0.7
73.02949	0.6
82.95424	12.4
83.05040	1.0
84.95123	0.7
85.00479	0.9
85.02920	0.6
86.19759	0.5
93.95767	0.5
95.35349	0.4
96.95987	0.5
98.21785	0.8
101.02502	0.6
121.02996	0.6
133.02962	0.9
137.02522	0.7
151.86380	0.5
161.02441	1.0
178.33162	0.5
191.05605	0.6
191.94096	0.6
227.03511	0.7
228.39058	0.6
255.03064	0.5
285.04089	0.9
451.32974	0.8
473.10742	0.8
737.50531	0.6
880.30688	0.6
903.66400	2.8
914.27820	0.6
939.64282	100.0
940.64758	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	943.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52773	1.7
69.53170	2.4
73.02966	6.1
83.01392	1.7
85.02960	2.5
93.03457	0.8
96.96002	1.3
101.02452	1.8
107.01376	1.3
109.02956	1.0
113.02489	1.1
117.03451	1.6
132.02139	1.7
133.02977	24.0
134.03673	1.4
135.04538	14.8
145.05043	2.6
149.02394	0.9
149.06133	1.0
150.03238	1.5
151.00381	2.6
161.02460	83.5
163.00322	0.8
165.05627	1.3
177.05550	3.9
178.99890	1.2
179.03520	18.6
179.61707	0.8
183.04456	1.0
185.06165	0.9
187.04048	1.0
197.13017	0.8
203.03142	0.7
208.17760	0.7
211.04048	1.0
221.04556	7.6
227.03520	42.2
229.05037	1.4
239.03647	1.2
244.45639	0.8
251.05658	2.8
255.03009	54.7
256.03696	5.1
281.06732	7.5
283.02545	2.4
284.03302	58.2
285.04059	66.7
286.04352	1.7
323.07791	2.6
341.08759	1.6
413.09076	0.9
439.10504	0.9
469.13550	100.0
470.13861	3.0
473.10934	37.3
755.18408	20.8
809.63202	0.8
834.79694	1.0
861.71436	0.8
943.25177	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	943.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44712	2.9
71.01377	2.6
73.02954	6.4
78.88565	0.7
80.96713	0.6
83.01388	1.0
85.02950	1.8
87.00858	0.9
89.02439	1.1
93.03468	1.0
101.02450	2.2
107.01377	0.7
107.65976	0.6
117.03484	1.0
123.04517	0.6
127.04009	1.9
132.02217	1.0
133.02969	21.8
133.48418	0.6
134.03746	1.2
135.04533	11.8
145.05101	2.6
149.06120	1.3
150.03210	2.6
151.00375	1.6
161.02464	68.1
162.02814	0.7
165.05562	1.8
169.06577	0.6
177.05591	2.7
179.03514	13.5
183.04474	1.0
187.04002	1.3
192.53793	0.6
195.06697	1.1
211.04065	0.6
221.04533	5.0
227.03522	32.1
228.04065	1.0
229.04977	1.1
239.03459	1.0
239.88942	0.6
243.12485	0.7
251.05655	3.0
255.03018	51.3
256.03793	5.0
257.04599	0.8
257.40289	0.7
269.04684	1.0
281.06656	5.8
283.02515	9.6
284.03299	45.1
285.04053	53.0
286.04382	1.3
323.07651	4.2
341.08990	1.4
413.08884	5.5
469.13544	100.0
470.13837	3.3
473.10928	34.6
474.11450	1.5
699.26733	0.8
755.18207	10.5
943.25146	15.2
944.26038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.252
Annotation	Unknow
Peak:m/z	Relative Intensity
68.36640	0.4
69.24667	2.1
73.02949	6.2
73.51761	0.4
83.01395	0.8
85.02949	2.1
87.00886	0.7
89.02462	0.4
93.03456	0.7
95.33639	0.3
101.02463	1.4
107.01402	1.3
109.02967	0.6
113.02428	0.6
117.03468	1.0
125.02471	0.8
127.04039	1.6
132.02199	1.2
133.02968	21.7
134.03754	1.3
135.04539	13.2
143.05040	0.4
145.05087	1.7
149.06084	1.0
151.00412	2.8
157.06674	0.4
159.04486	0.7
161.02458	76.1
162.02826	1.1
163.00403	0.9
169.06549	0.4
171.04472	0.4
177.05563	3.5
178.02769	0.5
179.03517	16.5
183.04430	0.6
185.06136	0.8
187.04037	0.7
192.00633	0.5
199.03970	0.4
203.03438	0.6
211.03995	1.6
213.05685	0.5
221.04593	5.8
227.03517	44.0
228.03925	0.9
229.05026	1.8
239.03377	0.6
241.05019	0.7
251.05656	3.5
255.03001	59.7
256.03729	5.5
257.04651	1.3
281.06711	6.1
283.02475	1.3
284.03293	59.4
285.04062	72.3
286.04364	1.6
323.07767	3.9
327.05283	1.5
341.08664	1.4
389.37302	0.3
409.11435	0.5
469.13531	100.0
470.13940	3.3
473.10916	48.7
474.11310	2.4
504.28979	0.4
657.20392	1.1
755.18317	23.4
756.18268	0.7
943.25104	11.7
944.25391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63409	0.8
70.24455	2.0
71.01402	2.5
73.02961	4.2
85.02959	1.8
87.00887	1.0
91.01871	0.8
93.03493	1.5
101.02498	1.9
113.02512	1.0
117.03539	1.0
127.04043	1.6
132.02234	1.3
133.02971	20.1
134.03772	1.8
135.04544	13.4
145.05058	2.6
148.05383	1.3
151.00377	1.2
161.02464	67.5
162.02831	1.4
163.07768	0.8
176.80843	0.8
177.05612	2.6
179.03517	14.2
179.05090	1.1
187.04118	0.9
216.42474	0.9
221.04626	4.6
227.03526	31.1
229.04977	1.4
251.05637	3.5
255.03014	42.8
256.03674	1.9
257.04773	1.4
281.06763	5.9
284.03305	41.0
285.04065	43.8
286.04315	1.1
309.03882	0.9
323.07803	2.6
341.08783	1.9
404.12579	0.8
469.13562	100.0
470.13867	2.1
473.10928	38.0
566.68579	1.1
657.19446	0.8
678.70813	1.1
755.18219	12.7
833.35950	0.9
943.25177	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	945.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12085	5.9
71.01400	5.9
71.45480	0.8
73.02969	1.3
75.00884	1.2
83.01411	1.1
85.02955	5.3
87.00900	1.9
89.02462	1.2
93.03532	1.4
95.01437	1.3
99.00881	2.2
103.00424	1.1
107.01421	1.1
113.02475	10.2
116.63097	1.0
117.01942	1.1
133.02979	1.4
135.00897	0.9
135.04608	1.6
138.10706	1.0
151.00363	1.7
160.32500	0.8
161.02441	2.3
165.05602	1.3
169.06659	1.2
175.02492	3.7
185.06146	1.3
187.04076	1.5
191.05705	2.0
227.03589	1.3
229.05186	2.1
235.88617	1.1
255.03040	1.2
269.45303	0.9
284.03381	1.0
285.04077	100.0
286.04422	3.0
383.78595	1.1
461.07434	2.1
483.14880	1.2
583.21857	1.1
745.27734	1.2
747.28925	1.3
756.76489	1.1
769.19617	2.3
892.35938	1.2
945.23578	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	946.6716
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31985	3.2
81.03463	5.5
83.05032	14.5
84.64893	0.5
88.98820	4.6
89.02448	0.9
96.95993	1.2
116.76706	0.7
125.07214	0.9
149.02425	0.8
150.03223	2.7
151.03940	0.6
161.02441	0.6
165.05553	2.5
193.58800	0.6
195.06602	1.1
200.87384	0.6
224.17709	1.7
225.16106	8.2
264.82382	0.5
277.05841	0.6
309.21719	0.8
324.26486	0.7
343.11661	0.9
367.27280	0.8
433.31586	1.5
450.34314	1.1
451.32983	6.6
677.49225	1.3
776.61151	0.9
879.61450	0.7
903.66608	100.0
904.66895	6.7
946.66663	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	947.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30257	1.5
69.30680	0.9
71.01376	1.9
73.02946	1.9
83.01394	2.9
85.02938	1.1
87.00890	0.9
95.65743	0.6
107.01406	7.7
109.02991	2.3
113.02444	1.0
117.47382	0.5
121.02986	4.5
127.04018	0.6
133.02974	7.3
135.04562	4.6
145.05046	0.6
149.02472	1.0
149.06081	0.4
151.00385	27.7
152.19496	0.5
161.01115	0.9
161.02463	18.8
163.00372	1.5
169.01450	1.3
177.05560	1.0
178.99878	13.6
179.03490	3.4
187.04007	0.6
192.00630	0.6
193.01393	0.6
201.05530	0.9
202.00635	0.5
211.03917	0.9
213.01955	0.5
215.03540	0.6
221.04568	0.9
227.03593	0.9
229.05098	0.8
232.72174	0.4
239.03586	0.5
245.04553	1.1
255.00769	0.5
255.02910	2.5
256.03729	0.5
271.02451	1.6
273.04175	1.0
276.05682	0.5
281.06693	1.4
299.01883	2.2
300.02686	2.2
301.03555	100.0
302.03897	3.0
323.07880	0.7
327.85263	0.5
393.94818	0.5
444.54977	0.5
469.13477	6.9
477.06647	1.6
483.39307	0.6
609.14941	3.4
728.22559	0.5
771.17804	28.8
772.18262	2.1
785.17773	2.2
947.21014	11.9
948.20764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	8.9
73.02952	3.4
81.03452	1.9
83.01398	1.3
85.02968	4.0
89.02455	8.9
101.02456	4.0
113.02466	2.5
119.03545	1.6
127.04087	2.4
131.03520	1.4
252.10649	1.3
275.84677	1.4
321.79559	1.3
363.88861	1.4
423.32693	3.8
436.87247	1.6
471.34839	13.3
472.35242	1.2
585.38068	4.4
603.39197	8.0
749.44916	1.7
911.50165	100.0
912.50531	10.7
947.47601	25.4
947.66541	1.3
948.48346	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	947.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20194	3.4
71.01023	1.1
71.01390	15.8
72.99306	0.7
73.02948	4.1
75.79692	0.7
83.01414	1.0
85.02963	8.2
87.00895	1.5
88.62865	0.6
89.02456	9.2
95.01398	1.1
101.02454	7.6
103.04031	1.6
112.01658	1.4
113.02450	5.4
115.04028	0.7
115.55954	0.7
119.03482	1.1
128.12999	0.6
131.03481	3.6
143.03435	0.7
149.04605	0.7
149.43019	0.7
161.04584	1.5
179.87515	0.6
252.95544	0.7
326.88437	0.7
364.48907	0.8
393.31982	1.0
423.32816	4.0
439.32233	1.4
469.33694	0.9
471.34848	17.8
585.38062	7.1
603.38916	7.6
749.44897	2.8
765.44812	1.0
911.50183	100.0
912.50366	5.8
929.36047	0.7
947.47845	57.7
948.48248	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	953.367
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43635	0.2
69.03471	0.2
69.69306	0.5
69.69696	0.5
71.01389	1.0
73.02960	0.3
83.01431	0.2
85.02966	0.7
85.06593	1.4
87.99899	0.2
90.12037	0.2
93.03463	0.8
95.01414	0.3
99.04531	0.2
101.02416	0.3
107.82826	0.2
108.02198	1.0
109.03009	0.3
111.04552	0.3
113.02452	0.3
113.06056	0.3
115.03989	1.1
117.05576	1.9
121.02976	3.4
122.03762	2.1
123.00879	0.3
123.04558	0.4
124.01688	0.7
134.03789	0.6
135.04533	0.3
136.01672	54.2
137.02525	1.5
139.04018	3.7
149.06136	0.7
151.04019	88.1
152.04350	1.2
159.04515	0.7
160.05283	1.3
161.02467	0.4
161.04544	0.4
161.67517	0.2
162.03265	0.9
163.04021	1.0
164.04868	0.3
175.04076	0.3
175.07629	1.4
177.05560	1.2
179.03502	0.6
189.05565	0.4
190.06361	0.3
214.62946	0.2
229.82004	0.2
311.12769	1.1
327.12329	0.5
342.11090	4.5
357.13452	100.0
358.13837	3.2
399.14746	0.5
501.17667	6.2
519.19012	0.9
543.18726	8.6
544.19794	0.3
561.19843	3.8
603.21082	1.4
921.33044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93535	2.5
71.01392	16.3
73.02964	5.8
74.15652	1.8
80.15544	1.9
81.87848	1.8
83.01372	2.2
85.02964	8.8
87.00920	2.8
89.02435	10.9
100.08720	2.3
101.02471	9.9
103.07432	2.0
104.70301	1.9
113.02448	6.5
117.82034	1.9
131.03514	3.6
141.54474	1.8
143.99852	2.1
144.67230	2.1
159.29993	1.9
160.28821	1.8
163.32336	1.8
176.16711	1.8
192.91731	2.0
294.31241	2.0
306.35904	2.0
326.47476	2.2
390.78540	2.3
423.32550	3.4
471.34830	21.0
493.34839	2.7
585.37982	5.7
603.39093	3.9
620.21924	2.3
662.43311	2.5
911.50128	100.0
912.50031	4.8
923.99255	4.7
924.48047	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	955.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09715	3.9
107.01413	1.5
143.05023	0.8
147.92798	0.6
151.00366	2.2
152.37895	0.7
155.10783	2.1
162.99138	0.7
163.00439	1.9
178.99971	0.7
185.06102	1.1
187.04033	1.3
199.03992	0.9
199.09779	1.9
200.17499	0.7
211.04021	0.9
213.05554	0.7
227.03519	11.8
229.05054	6.1
255.03001	24.6
256.03644	2.3
257.04544	2.9
267.09341	0.7
284.03296	39.2
285.04074	51.1
286.04352	0.9
327.05283	1.6
390.27209	0.7
421.21310	0.7
551.14880	0.8
579.15430	0.8
593.15161	100.0
594.15399	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	959.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25660	5.9
73.02961	1.9
83.01392	2.7
85.02928	1.2
93.03491	1.5
96.95995	1.5
101.02447	1.0
107.01404	6.5
109.02955	1.9
110.16468	1.0
121.02965	2.3
133.02963	10.9
135.00844	1.2
135.04533	7.3
140.02879	0.9
151.00400	19.0
161.02455	28.8
163.00397	3.5
169.31401	0.9
175.03931	1.4
177.05508	1.6
178.99878	8.2
179.03500	6.1
188.90114	0.9
199.04010	1.6
221.04614	3.0
226.02682	6.5
227.03520	4.4
243.02982	15.5
251.05605	1.4
254.02243	4.7
255.03041	11.8
271.02502	75.3
272.03192	4.8
273.04105	1.0
281.06689	2.9
285.04013	6.0
299.02002	12.8
300.02780	100.0
301.03549	65.6
323.07489	1.1
429.07785	1.9
469.13376	10.8
489.10458	42.8
490.10858	1.1
520.02850	1.3
545.25635	1.1
608.02002	1.2
609.14984	3.0
623.20593	1.1
753.16858	1.5
771.17877	18.9
797.21460	14.6
959.24701	45.5
960.25403	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	959.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02943	2.0
83.01382	2.8
95.77773	1.4
98.22648	3.4
100.67331	1.2
107.01385	6.5
108.02215	1.8
121.02927	2.3
128.54474	1.3
133.02956	11.4
134.03737	2.8
135.04517	6.3
149.02480	1.3
150.03145	1.7
151.00365	26.6
161.02449	27.5
163.00429	2.8
164.01146	1.2
177.05490	1.6
178.99901	11.5
179.03503	4.7
193.05093	1.4
211.04019	1.5
216.04442	1.1
221.04572	2.0
226.02707	6.7
227.03485	5.7
229.05106	1.5
235.78471	1.2
243.02986	16.4
245.04439	1.3
254.02242	8.0
255.02979	12.1
271.02481	81.3
272.03094	4.8
281.06512	1.3
283.02423	1.7
285.04074	4.7
299.01938	11.7
300.02756	100.0
301.03540	84.6
343.04453	1.3
469.13690	7.9
489.10455	44.7
490.10599	1.4
597.93195	1.4
621.34033	1.7
771.17609	12.4
797.21448	13.1
949.23480	1.7
959.24683	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	6.7
70.92675	0.5
71.01386	16.4
73.02931	1.2
83.01392	1.8
83.05048	0.6
85.02959	5.0
86.56029	0.5
87.00890	4.9
87.04508	1.7
89.02454	18.0
95.01380	1.7
99.00876	0.4
99.04570	0.5
101.01807	0.7
101.02455	14.6
111.04520	0.9
113.02465	22.8
115.04017	0.8
119.03516	9.0
123.04505	0.3
131.02528	0.7
131.03519	9.9
133.05060	2.8
143.03505	0.9
153.37326	0.5
161.04662	1.0
179.05618	1.2
191.65129	0.5
195.28664	0.4
203.05745	0.5
210.41164	0.4
241.76529	0.4
275.07788	1.1
293.08817	100.0
294.09186	1.4
317.08627	0.8
407.11981	57.1
408.12369	1.1
971.57819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	39.7
69.54646	1.8
69.61723	3.2
69.62080	7.9
70.58755	1.7
71.01389	61.7
71.05003	2.3
72.99306	3.2
73.02940	5.8
80.41096	1.7
81.03455	4.1
83.01390	7.2
83.05039	21.9
85.02957	21.5
87.00901	18.7
87.04520	5.5
89.02454	57.4
93.03488	2.9
95.01375	6.4
95.05067	2.3
97.02958	3.9
98.21891	2.4
101.02457	42.0
106.01796	2.1
109.02941	3.7
111.00893	2.4
111.04523	17.1
112.01665	9.4
113.02463	100.0
119.03522	20.9
123.04513	2.8
125.02468	3.3
130.02687	3.0
131.03516	27.3
133.05116	4.5
134.87556	1.8
137.02420	2.4
137.46054	2.1
139.03996	4.2
141.37418	1.7
143.03537	2.4
155.03528	8.4
165.05563	3.0
264.03333	1.9
275.07809	22.5
293.08832	97.9
294.09244	2.6
317.08746	6.8
389.10837	4.2
551.16211	5.7
569.17297	23.6
664.57721	2.1
845.25629	62.2
919.91339	2.4
959.28906	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6874
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95061	0.5
81.03462	8.0
83.05032	18.0
93.03434	0.6
96.34571	0.5
100.94930	0.5
104.99635	0.5
105.01922	0.8
109.02951	0.6
125.07241	0.6
150.03186	0.8
177.01964	0.7
183.60802	0.5
189.01973	0.5
197.80605	0.5
207.15050	2.0
224.17743	2.4
225.16110	12.1
242.18825	0.6
333.22739	0.6
341.06625	1.9
341.29089	1.2
367.27213	1.5
433.32047	1.7
450.34500	1.7
451.32910	10.4
542.59686	0.6
550.43213	1.1
582.20496	0.5
593.43634	0.6
677.49988	1.9
776.60339	1.2
903.66595	100.0
904.66711	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	964.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	2.6
73.02950	6.8
76.19465	0.9
79.11950	0.8
83.01386	1.8
85.02951	2.4
87.00871	1.0
93.03461	1.1
98.76706	0.9
101.02441	2.3
107.01394	1.2
117.03484	1.9
125.02460	1.3
127.04025	1.5
132.02171	1.1
133.02969	22.6
134.03815	1.1
135.04538	15.5
137.02473	1.6
145.05084	2.9
149.06065	2.1
151.00392	2.2
157.37463	0.8
161.02458	86.0
162.02747	1.8
163.00342	1.2
175.66368	0.8
177.05588	3.8
179.03508	21.7
185.06059	1.1
187.22548	0.9
201.85028	0.9
203.03438	1.7
213.05412	1.0
221.04521	6.6
227.03520	33.3
229.05000	1.7
251.05592	4.0
255.03001	44.7
256.03659	4.6
257.04431	1.0
281.06711	8.6
283.02396	1.6
284.03284	52.6
285.04059	100.0
286.04352	2.1
323.07791	3.3
341.08914	1.5
413.20810	1.0
419.35562	1.1
431.09842	32.9
432.10339	1.0
469.13531	85.6
470.13739	1.9
615.19281	1.5
655.04321	1.0
755.18304	63.1
756.18335	3.2
901.24194	39.1
902.24316	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	965.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16024	2.0
71.01388	12.1
72.99303	0.5
73.02951	1.9
80.05061	1.6
80.48949	0.4
83.01372	1.1
85.02969	3.2
87.00880	2.7
89.02452	7.3
92.05054	0.7
94.06612	0.6
95.01408	0.8
96.96014	0.4
99.00863	0.4
101.02451	5.8
104.05089	1.0
106.06619	3.7
107.03724	0.4
108.04572	0.4
111.00915	0.6
113.02448	3.5
119.03551	2.4
119.53674	0.3
120.04565	0.8
120.08208	0.9
120.48994	0.3
121.05366	0.8
122.06136	5.1
132.04579	2.7
134.06137	23.8
135.04500	0.6
136.01662	0.6
146.06105	0.7
148.04051	1.1
151.04056	0.8
152.07182	3.2
158.02492	0.7
160.04039	1.1
160.06416	2.4
161.02449	0.4
161.04712	0.4
165.05624	0.4
174.05643	0.8
182.12534	0.3
190.05092	3.4
192.06599	0.5
210.07924	0.3
211.08731	0.7
213.10339	10.3
214.10709	0.4
223.08658	0.5
224.09483	0.5
225.10269	2.0
226.11086	1.1
227.11882	0.8
237.10274	1.0
239.11897	6.5
241.13506	6.0
245.73779	0.3
249.06699	0.4
249.10326	0.8
251.08282	0.8
251.11913	2.6
263.08154	0.9
265.09796	1.4
267.08743	0.5
267.11411	7.8
277.09799	1.2
278.10516	0.6
279.11368	1.0
284.70245	0.4
285.12454	16.6
285.15631	0.8
292.08286	0.6
293.10153	0.4
293.13013	2.3
295.10809	0.8
300.11761	0.4
301.12149	0.4
305.09332	2.1
307.10944	0.6
309.09052	0.5
313.13391	1.3
314.12512	1.3
316.14557	2.6
324.11459	1.4
327.13663	2.1
328.10953	2.1
328.14276	0.6
330.12378	0.6
330.16132	0.5
332.17642	0.4
337.11951	2.6
340.10641	0.7
340.14517	8.4
341.11545	0.9
342.12622	1.7
343.13263	1.3
344.14035	1.7
354.12329	0.7
355.13327	0.5
356.13943	2.5
356.17615	0.7
357.14188	1.5
358.15619	6.6
359.16498	0.5
366.12326	0.5
368.10303	1.2
368.14020	1.2
369.10968	0.7
369.15015	0.6
370.11853	1.3
370.15884	2.0
372.17215	1.3
382.11691	0.8
382.15891	0.8
383.12863	0.6
384.13208	5.1
384.17758	1.9
385.14288	0.8
394.15680	0.5
395.12723	0.6
396.13498	1.6
397.14560	1.8
398.15033	4.2
399.15598	0.8
400.16660	7.0
410.15240	2.1
411.15707	0.5
412.16763	6.7
413.17377	0.4
426.14557	2.6
438.14523	1.4
444.15698	2.8
456.15591	0.5
475.17126	0.6
477.23608	0.4
489.19971	0.5
490.20135	0.6
491.20355	0.6
503.20856	0.4
505.22592	1.5
506.22470	0.5
517.17737	1.7
519.24658	0.6
531.20551	0.6
545.21838	0.9
547.23438	0.8
563.23242	0.7
573.21680	2.1
591.22491	1.6
592.22668	0.5
659.31256	0.5
685.28735	0.9
707.27679	0.4
711.26703	1.1
725.27826	2.2
727.29724	4.9
731.29303	0.6
743.29553	1.4
753.27820	19.8
754.28290	1.3
759.33020	0.5
770.09473	0.4
771.28882	100.0
772.29211	6.3
785.30353	7.4
786.32086	0.5
795.29236	1.1
803.31543	73.2
804.32043	5.7
813.29382	1.4
845.32556	8.0
912.18549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6612
Annotation	Unknow
Peak:m/z	Relative Intensity
75.82192	1.7
80.78890	1.8
81.03425	2.3
82.87946	1.6
160.68462	2.3
356.94263	2.1
433.52658	2.0
478.74564	1.9
904.66382	3.6
905.67761	13.7
906.67297	13.2
966.66150	100.0
967.67999	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	967.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10691	3.5
69.11088	9.2
71.01386	13.7
73.02959	2.5
83.01402	3.3
85.02985	5.7
89.02441	8.1
98.22756	3.1
99.00912	1.7
101.02470	7.3
106.06631	3.4
113.02457	4.6
116.92881	2.5
119.03513	3.8
120.08215	5.7
120.75250	1.8
122.06120	11.2
125.02458	1.9
132.76694	1.7
134.06145	21.9
135.04492	2.3
149.81902	1.8
152.07219	4.2
160.04076	1.6
163.03996	3.5
178.06493	2.3
179.03635	1.8
185.60942	1.7
190.05148	4.1
191.05614	1.9
193.08746	5.8
199.71994	1.7
221.10831	2.0
229.32547	1.6
237.10402	2.4
239.11935	4.0
247.22267	1.7
249.10309	1.7
251.08232	2.7
251.11905	3.6
263.08160	2.5
264.09027	4.2
265.09766	7.5
269.12888	2.6
277.09924	4.9
278.10623	2.5
279.11383	14.1
285.03876	1.8
291.11493	6.1
292.12204	1.7
293.13089	2.3
305.09451	3.9
323.10327	2.9
337.11908	2.2
342.16217	2.0
348.97650	1.8
386.18765	2.1
402.18405	1.9
426.18613	1.7
453.17743	2.1
471.18417	2.1
472.18964	3.2
490.19901	5.2
525.96912	1.6
632.22528	2.0
650.22864	3.5
651.24152	3.9
664.24854	4.5
682.26184	8.7
755.28589	9.4
773.30438	82.0
774.29993	1.9
787.31512	10.7
787.56744	1.8
805.33081	100.0
806.33411	3.8
847.33966	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	971.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17882	0.6
69.30338	0.5
69.69570	1.9
71.01390	10.9
73.02949	3.4
83.01388	1.3
85.02962	7.9
87.00902	1.2
89.02459	5.9
91.33665	0.5
91.60974	0.6
95.01399	0.9
97.62862	0.6
99.00917	0.7
101.02460	4.4
103.04038	0.7
112.01688	1.3
113.02476	3.9
115.03973	0.6
119.03501	0.8
131.03531	1.6
157.83562	0.7
161.04530	1.0
423.32956	3.3
439.32333	1.0
471.34793	17.6
506.74655	0.6
585.38068	5.9
603.39374	7.0
749.44666	2.6
765.44318	0.8
911.50189	100.0
912.50037	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	971.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	6.1
71.05019	1.4
73.02948	1.5
83.01385	1.1
85.02946	4.5
86.00137	0.8
89.02429	1.9
96.35792	0.8
101.02466	5.0
103.28082	0.8
113.02465	3.0
131.03519	1.3
135.04526	0.9
174.73930	0.7
192.34525	0.6
207.89818	0.8
248.08029	0.7
406.96173	0.7
471.34814	19.6
573.43494	0.8
585.38013	4.9
585.46234	0.8
603.39148	5.9
736.70520	0.8
749.44824	4.2
756.84393	0.7
773.47327	0.9
785.15466	0.8
911.50153	100.0
912.50092	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	973.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12595	2.2
69.12977	5.9
73.02973	3.0
83.01384	2.2
85.02947	6.7
85.06598	4.4
92.02709	2.1
93.02870	2.5
93.03466	52.4
95.01383	3.0
99.00902	1.4
101.02452	10.9
108.02208	2.5
109.02981	1.7
113.02454	4.2
113.06104	5.2
115.04011	3.6
117.03493	1.6
119.05058	4.3
121.02992	4.9
123.04552	1.5
135.04523	1.7
136.01674	47.3
137.02455	100.0
139.04008	2.6
145.02951	5.5
147.04568	2.2
151.04021	50.6
159.04523	1.6
160.05304	1.8
161.04710	1.6
161.06105	3.1
162.03203	1.3
163.04051	4.0
173.06079	1.2
175.04036	2.9
176.04813	7.3
177.05577	2.8
179.03540	3.7
187.03931	1.6
188.04883	1.6
189.05640	2.4
191.03540	1.6
191.05591	1.6
191.07182	7.3
199.66112	1.1
205.05095	1.8
265.07227	2.9
267.06723	1.4
279.06607	2.5
281.06686	67.1
294.08997	1.5
295.09659	1.4
312.10168	2.7
313.10849	4.8
327.12366	9.1
342.11047	3.3
343.11884	15.7
357.13474	21.3
487.16583	1.2
639.20868	91.5
640.21423	2.6
647.21521	2.5
681.21686	2.5
783.25732	3.2
801.26440	9.0
843.27240	36.8
973.32422	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	974.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	12.3
71.27107	7.2
76.64824	6.1
89.02451	7.3
89.17058	6.4
101.02392	7.0
111.76375	6.4
113.02416	7.2
115.97696	5.8
128.38759	6.3
135.76196	5.7
206.38524	6.8
306.50598	6.2
462.47903	7.8
801.26062	7.7
911.50201	20.0
913.50360	25.3
914.51178	73.8
967.60242	7.0
974.49835	100.0
975.50757	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	974.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58651	8.0
70.65549	14.1
74.00464	7.9
117.68781	7.7
145.75761	8.9
161.02545	12.6
196.76616	8.2
212.93185	8.9
329.54163	9.7
472.42081	8.4
569.98102	10.2
911.49371	39.4
974.49622	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	977.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	4.8
71.01390	19.4
71.01797	1.1
71.40098	0.5
72.99310	0.8
73.02951	1.8
81.03468	0.5
83.01399	1.9
83.05025	2.4
85.02954	5.8
87.00887	4.7
87.04516	2.1
89.02448	20.0
93.03464	0.6
95.01408	1.6
99.00887	0.5
99.04522	0.7
101.02453	17.4
109.23000	0.5
111.00885	0.9
111.04541	2.4
113.02462	23.1
115.04005	0.7
119.03517	10.3
119.60851	0.5
123.04516	0.7
125.02389	0.9
131.03526	10.5
133.05089	3.2
141.30527	0.5
143.03508	1.0
149.04558	0.7
155.03462	1.2
161.04570	0.6
167.03513	0.7
179.05658	1.9
275.07755	3.5
293.08820	100.0
317.08746	5.0
329.09009	0.5
344.71341	0.5
347.09860	2.7
365.10648	0.6
377.10779	1.0
407.11972	59.0
408.12225	0.8
431.11932	0.6
595.76166	0.5
623.29144	0.5
806.94666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	5.4
71.01382	14.2
73.02939	6.8
83.05022	6.3
85.02951	11.3
87.00853	5.5
87.04530	12.4
89.02431	4.1
101.02463	10.6
104.14493	4.5
104.21003	3.8
107.05039	5.1
111.04533	6.9
113.02451	16.4
129.08533	4.8
131.03531	5.7
136.00703	6.4
136.01678	73.0
136.02708	3.8
137.02460	6.4
137.09698	16.7
139.11273	4.0
150.06868	7.9
151.04022	62.1
155.10803	78.1
163.03999	5.3
164.61316	4.2
169.12335	5.4
179.10794	4.5
181.08665	9.8
191.10849	5.3
199.09798	41.5
213.11238	9.7
236.01526	4.4
241.10834	16.7
245.44287	4.5
275.07437	4.7
283.11954	4.4
293.08813	6.0
298.03946	3.9
327.11984	4.7
342.11169	6.0
357.13434	6.7
361.14810	6.5
438.46677	4.5
457.17313	7.9
475.18240	16.8
499.18268	5.0
507.32794	6.8
508.33496	5.9
541.19568	12.7
619.22186	16.6
623.43817	5.0
670.38428	5.2
701.27838	6.1
714.37805	4.7
977.36255	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	981.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42051	1.9
71.01384	5.6
73.02942	1.3
73.62841	0.5
75.53421	0.4
77.56696	0.4
83.01395	0.6
85.02963	2.3
87.00833	0.5
89.02450	4.6
95.01402	0.7
101.02454	2.9
110.73575	0.3
113.02459	3.1
119.03515	1.7
120.04544	1.0
121.05284	0.4
122.06126	2.1
132.04559	0.4
133.02959	1.1
134.06158	3.3
135.04526	1.3
136.07697	2.1
148.04077	1.0
149.04671	0.4
150.03247	0.5
158.02461	1.3
159.05646	1.2
160.04068	0.5
161.02483	2.1
161.04590	1.0
162.05603	0.4
171.11896	0.5
171.68123	0.4
179.03520	1.3
179.05606	1.1
186.09305	0.5
187.05176	0.8
190.05092	5.1
198.09277	2.8
212.10860	0.9
214.07527	0.8
214.12440	2.4
225.06679	2.7
226.07529	2.8
227.03484	0.5
227.11838	1.0
229.09822	6.2
230.11867	0.8
239.11803	0.8
240.09074	2.3
241.09834	18.6
242.10582	4.1
255.03160	0.7
255.11415	10.8
257.12982	22.4
258.13165	0.5
267.07950	0.6
281.09503	0.8
283.10901	100.0
284.03198	0.7
284.11301	1.4
285.04077	0.9
301.11957	19.6
337.11938	1.6
343.13019	4.3
373.13980	2.5
398.11142	0.5
403.15155	4.0
463.17276	23.3
469.13556	1.6
517.18292	18.8
518.18842	0.6
519.20422	0.7
571.19751	0.5
715.26215	1.1
747.29517	1.8
769.27240	3.9
775.31964	0.9
787.28314	0.7
801.30103	11.2
819.30188	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	982.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91443	0.5
71.01385	2.8
71.05020	3.6
73.02947	5.2
81.03466	0.6
83.01389	2.0
85.02959	1.5
86.00100	0.4
87.00861	0.9
89.02430	0.8
97.02957	2.0
97.06578	0.5
101.02448	10.1
102.77530	0.4
103.04070	0.4
113.02464	1.7
115.03988	1.0
119.03522	0.5
125.02464	3.3
131.03497	1.2
143.03503	2.4
161.04573	8.4
163.06084	2.8
167.03477	0.4
205.07185	1.4
221.06715	0.7
247.08263	5.5
265.09161	0.5
323.09854	1.3
325.11398	0.7
351.26962	1.9
367.12418	2.7
405.31671	1.0
407.29718	0.4
409.13605	0.6
419.29340	0.4
421.31213	1.0
423.32730	3.9
425.34030	0.5
451.14740	0.6
467.31671	0.9
469.15662	17.0
469.33234	100.0
470.33612	3.4
830.39886	0.4
939.49817	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	983.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66814	1.0
71.01385	1.4
71.61623	0.6
85.02961	24.6
85.06606	0.9
87.00884	27.9
96.95983	0.8
101.02438	1.2
108.02229	1.4
108.13711	0.6
111.00897	25.7
113.02484	0.9
113.08340	0.7
115.04030	1.4
121.02983	1.9
122.03767	2.0
129.01956	4.6
134.03772	0.8
135.04558	1.2
136.01675	42.2
137.02434	1.8
137.15758	0.6
137.91869	0.6
139.04030	2.4
151.04024	75.2
160.05301	0.8
161.02478	0.8
161.04611	1.7
163.04008	1.1
166.02615	0.6
175.07692	1.2
179.03392	0.8
311.12872	0.8
342.11075	4.0
357.13474	100.0
358.13821	2.6
375.10471	0.6
411.87628	0.7
501.18204	4.0
519.18835	10.5
561.19830	18.3
680.88782	0.7
700.06525	0.7
723.25098	1.3
821.28973	1.3
983.34857	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	983.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02904	0.8
70.58326	0.9
71.01383	7.8
73.02962	1.5
80.05079	1.2
83.01385	1.6
85.02947	5.0
86.79134	0.8
87.00891	1.4
88.18781	0.9
89.02454	3.4
101.02461	4.8
106.06651	1.8
108.04575	1.2
112.00686	1.0
113.02450	3.1
119.03519	1.2
122.06131	3.6
132.04471	1.0
134.03833	0.9
134.06137	14.4
135.04529	3.4
136.07658	1.8
146.06142	1.2
152.01172	1.1
152.07161	3.2
160.04034	1.3
161.02443	2.4
162.05579	1.9
179.03467	1.3
180.06639	1.7
188.07239	2.4
190.05118	1.3
191.05600	1.9
211.08801	1.4
213.10358	1.6
223.08769	1.4
225.10353	2.3
227.11882	1.3
235.08727	3.3
238.07545	1.0
239.08093	1.3
239.11992	1.7
249.10364	1.1
251.08278	3.2
251.11832	1.5
253.09781	4.2
261.10645	1.2
261.13873	0.9
263.08273	2.1
264.09009	2.2
265.09906	1.0
267.07700	0.9
267.11368	3.8
277.09680	2.3
279.07828	4.5
279.11389	3.3
285.03940	2.9
285.12439	1.6
291.07709	1.3
292.08423	1.4
293.09357	6.4
294.10071	1.2
295.10818	6.2
305.09323	2.2
307.10855	5.8
308.11343	1.2
321.08981	4.4
323.10428	1.5
326.11990	1.1
333.08853	2.1
337.11740	1.1
339.09702	3.5
351.09891	1.8
396.13635	1.1
400.16635	2.3
402.59793	1.0
440.16226	1.2
442.17383	1.3
456.87918	1.1
458.17026	2.4
468.15649	1.9
486.16809	3.1
620.22614	4.9
638.23248	5.3
648.21948	7.9
666.23035	38.9
667.23419	1.6
680.24622	14.2
698.25708	100.0
699.26001	3.2
726.96228	1.0
740.26880	8.4
753.27496	1.8
771.28888	11.5
785.30359	1.2
789.29456	4.1
803.31372	13.5
821.32593	5.4
851.33087	1.6
896.73779	1.0
983.35675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	3.0
71.01386	57.8
71.18246	0.9
71.41767	0.9
72.99306	2.0
73.02955	14.5
81.03471	1.4
83.01392	7.8
85.02466	1.7
85.02959	26.7
86.00087	1.0
87.00876	6.1
88.97929	0.8
89.02448	23.5
95.01386	6.1
97.02971	5.1
99.00889	4.6
101.02450	40.5
110.42799	0.8
111.00878	2.8
113.02452	24.3
117.41596	0.9
119.03508	7.2
125.02438	4.3
131.03514	1.1
134.03764	1.2
135.04524	2.0
143.03494	3.8
151.03897	0.8
159.02982	3.3
161.02367	0.9
161.04597	8.0
179.05605	2.1
184.90569	0.8
203.05611	2.4
221.06685	2.4
439.32385	1.0
457.33304	2.6
469.13779	1.2
587.83490	1.1
619.38489	1.3
763.42163	3.8
781.43695	10.6
823.44904	30.1
824.45325	1.7
925.48090	33.0
926.48456	3.4
943.49261	19.4
944.49719	1.3
985.50220	100.0
986.50446	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	985.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45496	5.8
71.01392	36.1
73.02949	5.8
76.66103	1.1
83.01389	5.1
85.02962	19.6
87.00882	1.6
89.02454	13.0
94.96881	1.1
95.01407	4.3
99.00887	3.1
101.02451	24.3
113.02467	14.1
119.03493	2.9
135.04575	1.4
143.03537	1.3
161.04588	2.9
167.86700	1.1
214.73236	1.5
265.64297	1.1
457.32703	1.2
751.51007	1.3
753.41821	1.4
763.43353	2.7
781.43390	2.4
823.44989	22.9
985.50275	100.0
986.51544	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	989.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45882	2.1
69.46301	0.9
71.01389	19.7
72.99339	0.6
74.77955	0.6
75.14478	0.5
83.01381	1.0
85.02961	4.0
87.00883	1.6
89.02454	20.0
95.01404	1.4
101.02453	13.1
108.06672	0.5
113.02448	7.2
119.03516	8.8
131.03534	0.9
143.03522	0.9
149.04539	0.6
161.04512	0.8
161.08206	1.2
177.01923	1.4
179.05614	1.6
293.08792	1.0
317.08569	0.5
323.13507	100.0
324.13889	1.0
327.13916	0.6
333.98349	0.5
377.81152	0.6
417.03909	0.5
427.28235	0.6
442.41998	0.6
485.13303	0.6
489.73849	0.6
732.74707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92458	8.4
70.92784	10.1
76.31700	6.8
76.86003	6.9
79.00196	6.7
84.53073	6.2
89.02500	7.3
118.79514	6.7
136.01701	16.9
151.04024	32.7
161.02525	8.0
182.90215	7.0
244.83687	8.2
357.13458	100.0
501.17896	8.0
519.18237	8.2
561.20013	25.2
989.33740	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	993.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	12.0
73.02943	4.7
76.22731	1.8
78.91894	8.2
80.91689	57.7
85.02966	14.5
87.00899	2.4
89.02435	5.2
101.02444	5.1
113.02444	13.3
127.03983	2.9
145.05052	1.8
194.63632	2.0
216.98120	1.8
247.96712	1.9
281.36426	1.7
283.45242	2.0
318.89822	1.8
324.07291	1.9
423.32413	3.2
471.34860	10.0
505.33380	2.2
585.38269	2.6
603.38763	9.5
613.17169	2.0
625.37128	5.6
648.23688	2.5
685.39044	6.8
749.45422	2.6
771.43304	5.7
772.57770	2.0
830.46375	2.2
911.49542	4.0
933.48328	100.0
933.99146	3.6
934.48340	5.0
944.60663	2.1
993.44153	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	997.396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45663	2.2
69.46075	1.8
71.01385	10.5
73.02936	1.6
80.05057	1.1
83.01371	0.8
85.02946	3.1
85.73074	0.9
89.02462	5.4
95.01392	1.1
96.96007	0.9
101.02454	5.7
106.06638	3.1
113.02425	3.9
118.06693	0.7
119.03512	2.1
122.06146	5.4
132.04552	2.2
133.02972	0.8
134.06136	17.6
135.04530	1.6
150.03294	0.8
152.07153	4.0
155.10672	1.5
160.04066	1.1
161.02350	1.0
174.05594	0.7
180.06702	0.7
190.05072	2.0
191.05670	1.0
196.17084	0.7
196.78342	0.8
211.08807	0.9
213.10295	5.8
225.10292	2.2
227.11903	1.1
235.08755	0.8
236.09512	0.7
237.10266	1.6
239.11903	4.1
241.13474	2.7
249.10277	2.1
250.07520	1.1
251.08293	1.5
251.11798	2.3
252.09149	1.1
253.09814	2.0
255.03130	1.2
263.08270	2.6
265.09854	2.2
267.11380	5.1
277.09796	3.0
278.07303	1.0
278.10617	3.0
279.07773	3.3
279.11304	2.5
285.04123	1.6
285.12448	7.0
289.09860	0.8
291.11441	1.2
292.08524	0.9
293.09332	5.4
294.10019	1.7
295.10898	2.2
305.09314	2.0
306.10214	1.4
307.10785	2.2
309.08884	1.0
309.12418	1.7
314.12396	1.1
316.14609	1.8
320.08209	1.1
327.13559	1.2
328.10757	0.8
337.08221	1.6
337.11935	1.2
339.09885	1.4
340.14569	4.2
342.12350	1.6
344.13834	1.0
351.09769	0.9
353.11603	0.8
356.13980	1.4
357.14633	0.9
358.15536	2.7
368.10181	1.3
369.14655	0.8
370.11670	0.8
370.15823	1.6
382.15607	2.0
384.13580	3.0
396.13440	0.9
398.15012	3.0
400.16675	6.0
400.66391	0.8
410.15082	0.9
412.16901	4.4
412.82031	0.8
425.17477	1.0
426.14423	2.3
442.17834	1.0
444.15323	1.5
475.17188	1.2
486.16428	2.1
517.18304	0.9
563.23859	1.1
573.21259	1.3
620.22485	1.4
623.27765	0.8
638.23798	2.6
648.21735	2.5
649.22522	1.6
665.22430	0.9
666.23083	11.7
680.24609	1.3
685.28497	0.9
694.25555	2.1
712.27124	6.2
727.30139	4.9
743.29419	1.2
753.15094	1.4
753.27856	15.4
754.28735	1.6
759.32208	1.1
771.28876	63.2
772.29376	2.6
785.30469	15.7
795.28723	1.8
803.31519	100.0
804.31573	4.0
813.29156	2.0
835.34216	37.1
836.34259	1.6
845.32336	11.1
865.34814	3.4
997.35889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17198	1.3
70.17522	1.0
71.01397	2.9
72.94461	0.9
73.02947	3.6
83.01402	1.9
85.02974	1.2
87.00895	1.2
89.02459	1.0
92.72733	0.9
97.02993	1.3
101.02441	11.5
112.25516	0.8
116.92887	0.9
125.02431	4.5
143.03505	2.0
161.04544	5.3
163.06151	3.4
231.00500	1.0
247.08298	4.1
302.53873	1.1
323.09985	1.9
325.11700	1.1
331.71548	1.0
367.12314	2.9
409.13687	1.2
439.32214	77.2
440.32468	2.2
469.15698	22.1
469.33276	100.0
470.33420	1.8
608.94934	1.1
939.49500	11.4
END